From 105a2ebd05c842ca4703c3360d32220681d7cd76 Mon Sep 17 00:00:00 2001
From: Yuanqi Du <ydu6@gmu.edu>
Date: Wed, 13 Apr 2022 21:29:24 +0800
Subject: [PATCH 01/51] add mol support

---
 graphein/molecule/__init__.py                 |   5 +
 graphein/molecule/atoms.py                    |  34 +++
 graphein/molecule/config.py                   | 117 ++++++++++
 graphein/molecule/edges/__init__.py           |   2 +
 graphein/molecule/edges/atomic.py             |  28 +++
 graphein/molecule/edges/distance.py           | 159 +++++++++++++
 graphein/molecule/features/nodes/__init__.py  |   1 +
 graphein/molecule/features/nodes/atom_type.py |  48 ++++
 graphein/molecule/graphs.py                   | 218 ++++++++++++++++++
 tests/molecule/test_data/long_test.mol2       |  77 +++++++
 tests/molecule/test_data/long_test.pdb        |  72 ++++++
 tests/molecule/test_data/long_test.sdf        |  75 ++++++
 tests/molecule/test_data/short_test.mol2      |  27 +++
 tests/molecule/test_data/short_test.pdb       |  24 ++
 tests/molecule/test_data/short_test.sdf       |  25 ++
 tests/molecule/test_graphs.py                 |  28 +++
 16 files changed, 940 insertions(+)
 create mode 100644 graphein/molecule/__init__.py
 create mode 100644 graphein/molecule/atoms.py
 create mode 100644 graphein/molecule/config.py
 create mode 100644 graphein/molecule/edges/__init__.py
 create mode 100644 graphein/molecule/edges/atomic.py
 create mode 100644 graphein/molecule/edges/distance.py
 create mode 100644 graphein/molecule/features/nodes/__init__.py
 create mode 100644 graphein/molecule/features/nodes/atom_type.py
 create mode 100644 graphein/molecule/graphs.py
 create mode 100644 tests/molecule/test_data/long_test.mol2
 create mode 100644 tests/molecule/test_data/long_test.pdb
 create mode 100644 tests/molecule/test_data/long_test.sdf
 create mode 100644 tests/molecule/test_data/short_test.mol2
 create mode 100644 tests/molecule/test_data/short_test.pdb
 create mode 100644 tests/molecule/test_data/short_test.sdf
 create mode 100644 tests/molecule/test_graphs.py

diff --git a/graphein/molecule/__init__.py b/graphein/molecule/__init__.py
new file mode 100644
index 000000000..a63a80b19
--- /dev/null
+++ b/graphein/molecule/__init__.py
@@ -0,0 +1,5 @@
+from .config import *
+from .edges import *
+from .features import *
+from .atoms import *
+from .graphs import *
diff --git a/graphein/molecule/atoms.py b/graphein/molecule/atoms.py
new file mode 100644
index 000000000..5ea812ce7
--- /dev/null
+++ b/graphein/molecule/atoms.py
@@ -0,0 +1,34 @@
+"""
+Author: Eric J. Ma, Arian Jamasb
+Purpose: This is a set of utility variables and functions that can be used
+across the Graphein project.
+
+These include various collections of standard & non-standard/modified amino acids and their names, identifiers and properties.
+
+We also include mappings of covalent radii and bond lengths for the amino acids used in assembling atomic protein graphs.
+"""
+# Graphein
+# Author: Eric J. Ma, Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+
+
+from typing import Dict, List
+
+import numpy as np
+
+BASE_ATOMS: List[str] = [
+    "C",
+    "H",
+    "O",
+    "N",
+    "F",
+    "P",
+    "S",
+    "Cl",
+    "Br",
+    "I",
+    "B",
+]
+"""Vocabulary of 11 standard atom types."""
\ No newline at end of file
diff --git a/graphein/molecule/config.py b/graphein/molecule/config.py
new file mode 100644
index 000000000..3203b870f
--- /dev/null
+++ b/graphein/molecule/config.py
@@ -0,0 +1,117 @@
+"""Base Config object for use with Molecule Graph Construction."""
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+from functools import partial
+from pathlib import Path
+from typing import Any, Callable, List, Optional, Union
+
+from deepdiff import DeepDiff
+from deepdiff.operator import BaseOperator
+from pydantic import BaseModel
+from typing_extensions import Literal
+
+from graphein.molecule.edges.atomic import add_atom_bonds
+
+from graphein.molecule.edges.distance import add_k_nn_edges, add_distance_threshold, add_fully_connected_edges
+
+from graphein.molecule.features.nodes.atom_type import atom_type_one_hot
+
+GraphAtoms = Literal[
+    "C",
+    "H",
+    "O",
+    "N",
+    "F",
+    "P",
+    "S",
+    "Cl",
+    "Br",
+    "I",
+    "B",
+]
+"""Allowable atom types for nodes in the graph."""
+
+def partial_functions_equal(func1: partial, func2: partial) -> bool:
+    """
+    Determine whether two partial functions are equal.
+
+    :param func1: Partial function to check
+    :type func1: partial
+    :param func2: Partial function to check
+    :type func2: partial
+    :return: Whether the two functions are equal
+    :rtype: bool
+    """
+    if not (isinstance(func1, partial) and isinstance(func2, partial)):
+        return False
+    return all(
+        getattr(func1, attr) == getattr(func2, attr)
+        for attr in ["func", "args", "keywords"]
+    )
+
+
+class PartialMatchOperator(BaseOperator):
+    """Custom operator for deepdiff comparison. This operator compares whether the two partials are equal."""
+
+    def give_up_diffing(self, level, diff_instance):
+        return partial_functions_equal(level.t1, level.t2)
+
+
+class PathMatchOperator(BaseOperator):
+    """Custom operator for deepdiff comparison. This operator compares whether the two pathlib Paths are equal."""
+
+    def give_up_diffing(self, level, diff_instance):
+        return level.t1 == level.t2
+
+class MoleculeGraphConfig(BaseModel):
+    """
+    Config Object for Molecule Structure Graph Construction.
+
+    :param verbose: Specifies verbosity of graph creation process.
+    :type verbose: bool
+    :param deprotonate: Specifies whether or not to remove ``H`` atoms from the graph.
+    :type deprotonate: bool
+    :param edge_construction_functions: List of functions that take an ``nx.Graph`` and return an ``nx.Graph`` with desired
+        edges added. Prepared edge constructions can be found in :ref:`graphein.protein.edges`
+    :type edge_construction_functions: List[Callable]
+    :param node_metadata_functions: List of functions that take an ``nx.Graph``
+    :type node_metadata_functions: List[Callable], optional
+    :param edge_metadata_functions: List of functions that take an
+    :type edge_metadata_functions: List[Callable], optional
+    :param graph_metadata_functions: List of functions that take an ``nx.Graph`` and return an ``nx.Graph`` with added
+        graph-level features and metadata.
+    :type graph_metadata_functions: List[Callable], optional
+    """
+
+    verbose: bool = False
+    deprotonate: bool = False
+    # Graph construction functions
+    edge_construction_functions: List[Union[Callable, str]] = [
+        add_fully_connected_edges, add_k_nn_edges, add_distance_threshold, add_atom_bonds
+    ]
+    node_metadata_functions: Optional[List[Union[Callable, str]]] = [
+        atom_type_one_hot
+    ]
+    edge_metadata_functions: Optional[List[Union[Callable, str]]] = None
+    graph_metadata_functions: Optional[List[Callable]] = None
+
+    def __eq__(self, other: Any) -> bool:
+        """Overwrites the BaseModel __eq__ function in order to check more specific cases (like partial functions)."""
+        if isinstance(other, MoleculeGraphConfig):
+            return (
+                DeepDiff(
+                    self,
+                    other,
+                    custom_operators=[
+                        PartialMatchOperator(types=[partial]),
+                        PathMatchOperator(types=[Path]),
+                    ],
+                )
+                == {}
+            )
+        return self.dict() == other
\ No newline at end of file
diff --git a/graphein/molecule/edges/__init__.py b/graphein/molecule/edges/__init__.py
new file mode 100644
index 000000000..33729b6d5
--- /dev/null
+++ b/graphein/molecule/edges/__init__.py
@@ -0,0 +1,2 @@
+from .atomic import *
+from .distance import *
diff --git a/graphein/molecule/edges/atomic.py b/graphein/molecule/edges/atomic.py
new file mode 100644
index 000000000..73dd37e15
--- /dev/null
+++ b/graphein/molecule/edges/atomic.py
@@ -0,0 +1,28 @@
+"""Functions for computing atomic structure of proteins."""
+import logging
+
+# %%
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from typing import Any, Dict
+
+import networkx as nx
+import numpy as np
+import pandas as pd
+
+
+log = logging.getLogger(__name__)
+
+def add_atom_bonds(G: nx.Graph) -> nx.Graph:
+    for bond in G.graph["rdmol"].GetBonds():
+        n1, n2 = bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()
+        if G.has_edge(n1, n2):
+            G.edges[n1, n2]["kind"].add("bond")
+        else:
+            G.add_edge(n1, n2, kind={"bond"})
+    return G
+    
+
diff --git a/graphein/molecule/edges/distance.py b/graphein/molecule/edges/distance.py
new file mode 100644
index 000000000..36db4dea3
--- /dev/null
+++ b/graphein/molecule/edges/distance.py
@@ -0,0 +1,159 @@
+"""Functions for computing biochemical edges of graphs."""
+# Graphein
+# Author: Eric Ma, Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+import logging
+from itertools import combinations
+from typing import Dict, List, Optional, Tuple, Union
+
+import networkx as nx
+import numpy as np
+import pandas as pd
+from sklearn.metrics import pairwise_distances
+from sklearn.neighbors import kneighbors_graph
+
+
+log = logging.getLogger(__name__)
+
+
+def compute_distmat(coords: np.array) -> np.array:
+    """
+    Compute pairwise euclidean distances between every atom.
+
+    Design choice: passed in a DataFrame to enable easier testing on
+    dummy data.
+
+    :param coords: pd.Dataframe containing molecule structure. Must contain columns ["x_coord", "y_coord", "z_coord"]
+    :type coords: pd.DataFrame
+    :return: pd.Dataframe of euclidean distance matrix
+    :rtype: pd.DataFrame
+    """
+    eucl_dists = pairwise_distances(
+        coords, metric="euclidean"
+    )
+
+    return eucl_dists
+
+def get_interacting_atoms(angstroms: float, distmat: pd.DataFrame):
+    """Find the atoms that are within a particular radius of one another."""
+    return np.where(distmat <= angstroms)
+
+def add_distance_threshold(
+    G: nx.Graph, long_interaction_threshold: int = 5.0, threshold: float = 5.0
+):
+    """
+    Adds edges to any nodes within a given distance of each other. Long interaction threshold is used
+    to specify minimum separation in sequence to add an edge between networkx nodes within the distance threshold
+
+    :param G: molecule structure graph to add distance edges to
+    :type G: nx.Graph
+    :param long_interaction_threshold: minimum distance in sequence for two nodes to be connected
+    :type long_interaction_threshold: int
+    :param threshold: Distance in angstroms, below which two nodes are connected
+    :type threshold: float
+    :return: Graph with distance-based edges added
+    """
+    
+    dist_mat = compute_distmat(G.graph["coords"])
+    interacting_nodes = get_interacting_atoms(threshold, distmat=dist_mat)
+    interacting_nodes = list(zip(interacting_nodes[0], interacting_nodes[1]))
+
+    log.info(f"Found: {len(interacting_nodes)} distance edges")
+    count = 0
+    for a1, a2 in interacting_nodes:
+        n1 = a1
+        n2 = a2
+        count += 1
+        if G.has_edge(n1, n2):
+            G.edges[n1, n2]["kind"].add("distance_threshold")
+        else:
+            G.add_edge(n1, n2, kind={"distance_threshold"})
+    log.info(
+        f"Added {count} distance edges. ({len(list(interacting_nodes)) - count} removed by LIN)"
+    )
+
+def add_fully_connected_edges(
+    G: nx.Graph,
+):
+    """
+    Adds fully connected edges to nodes 
+
+    :param G: molecule structure graph to add distance edges to
+    :type G: nx.Graph
+    :return: Graph with knn-based edges added
+    :rtype: nx.Graph
+    """
+    length = len(G.graph["coords"])
+    
+    for n1 in range(length):
+        for n2 in range(length):
+            if G.has_edge(n1, n2):
+                G.edges[n1, n2]["kind"].add("fully_connected")
+            else:
+                G.add_edge(n1, n2, kind={"fully_connected"})
+
+def add_k_nn_edges(
+    G: nx.Graph,
+    long_interaction_threshold: int = 5,
+    k: int = 1,
+    mode: str = "connectivity",
+    metric: str = "minkowski",
+    p: int = 2,
+    include_self: Union[bool, str] = False,
+):
+    """
+    Adds edges to nodes based on K nearest neighbours. Long interaction threshold is used
+    to specify minimum separation in sequence to add an edge between networkx nodes within the distance threshold
+
+    :param G: molecule structure graph to add distance edges to
+    :type G: nx.Graph
+    :param long_interaction_threshold: minimum distance in sequence for two nodes to be connected
+    :type long_interaction_threshold: int
+    :param k: Number of neighbors for each sample.
+    :type k: int
+    :param mode: Type of returned matrix: ``"connectivity"`` will return the connectivity matrix with ones and zeros,
+        and ``"distance"`` will return the distances between neighbors according to the given metric.
+    :type mode: str
+    :param metric: The distance metric used to calculate the k-Neighbors for each sample point.
+        The DistanceMetric class gives a list of available metrics.
+        The default distance is ``"euclidean"`` (``"minkowski"`` metric with the ``p`` param equal to ``2``).
+    :type metric: str
+    :param p: Power parameter for the Minkowski metric. When ``p = 1``, this is equivalent to using ``manhattan_distance`` (l1),
+        and ``euclidean_distance`` (l2) for ``p = 2``. For arbitrary ``p``, ``minkowski_distance`` (l_p) is used. Default is ``2`` (euclidean).
+    :type p: int
+    :param include_self: Whether or not to mark each sample as the first nearest neighbor to itself.
+        If ``"auto"``, then ``True`` is used for ``mode="connectivity"`` and ``False`` for ``mode="distance"``. Default is ``False``.
+    :type include_self: Union[bool, str]
+    :return: Graph with knn-based edges added
+    :rtype: nx.Graph
+    """
+    dist_mat = compute_distmat(G.graph["coords"])
+
+    nn = kneighbors_graph(
+        X=dist_mat,
+        n_neighbors=k,
+        mode=mode,
+        metric=metric,
+        p=p,
+        include_self=include_self,
+    )
+
+    # Create iterable of node indices
+    outgoing = np.repeat(np.array(range(len(G.graph["coords"]))), k)
+    incoming = nn.indices
+    interacting_nodes = list(zip(outgoing, incoming))
+    log.info(f"Found: {len(interacting_nodes)} KNN edges")
+    for a1, a2 in interacting_nodes:
+        n1 = a1
+        n2 = a2
+        if G.has_edge(n1, n2):
+            G.edges[n1, n2]["kind"].add("k_nn")
+        else:
+            G.add_edge(n1, n2, kind={"k_nn"})
+            
+
+
diff --git a/graphein/molecule/features/nodes/__init__.py b/graphein/molecule/features/nodes/__init__.py
new file mode 100644
index 000000000..b6aaaa0c4
--- /dev/null
+++ b/graphein/molecule/features/nodes/__init__.py
@@ -0,0 +1 @@
+from .atom_type import *
\ No newline at end of file
diff --git a/graphein/molecule/features/nodes/atom_type.py b/graphein/molecule/features/nodes/atom_type.py
new file mode 100644
index 000000000..78074732a
--- /dev/null
+++ b/graphein/molecule/features/nodes/atom_type.py
@@ -0,0 +1,48 @@
+import logging
+from functools import lru_cache
+from pathlib import Path
+from typing import Any, Dict, List, Optional, Union
+
+import numpy as np
+import pandas as pd
+
+from graphein.molecule.atoms import (
+    BASE_ATOMS,
+)
+
+from graphein.utils.utils import onek_encoding_unk
+
+def atom_type_one_hot(
+    n,
+    d: Dict[str, Any],
+    return_array: bool = True,
+    allowable_set: Optional[List[str]] = None,
+) -> np.ndarray:
+    """Adds a one-hot encoding of amino acid types as a node attribute.
+
+    :param n: node name, this is unused and only included for compatibility with the other functions
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :param return_array: If True, returns a numpy array of one-hot encoding, otherwise returns a pd.Series. Default is True.
+    :type return_array: bool
+    :param allowable_set: Specifies vocabulary of amino acids. Default is None (which uses `graphein.protein.resi_atoms.STANDARD_AMINO_ACIDS`).
+    :return: One-hot encoding of amino acid types
+    :rtype: Union[pd.Series, np.ndarray]
+    """
+
+    if allowable_set is None:
+        allowable_set = BASE_ATOMS
+
+    features = onek_encoding_unk(
+        d["atomic_num"], allowable_set
+    )
+
+    if return_array:
+        features = np.array(features).astype(int)
+    else:
+        features = pd.Series(features).astype(int)
+        features.index = allowable_set
+
+    d["atom_type_one_hot"] = features
+    return features
\ No newline at end of file
diff --git a/graphein/molecule/graphs.py b/graphein/molecule/graphs.py
new file mode 100644
index 000000000..aa6747f75
--- /dev/null
+++ b/graphein/molecule/graphs.py
@@ -0,0 +1,218 @@
+"""Functions for working with Small Molecule Graphs."""
+# %%
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>, Eric Ma, Charlie Harris
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+import logging
+import multiprocessing
+import traceback
+from functools import partial
+from typing import Any, Callable, Dict, List, Optional, Tuple, Union
+
+import rdkit
+from rdkit import Chem
+import networkx as nx
+import numpy as np
+import pandas as pd
+
+from graphein.molecule.edges.atomic import add_atom_bonds
+
+# from graphein.molecule.config import (
+#     MoleculeGraphConfig,
+# )
+
+from graphein.utils.utils import (
+    annotate_edge_metadata,
+    annotate_graph_metadata,
+    annotate_node_metadata,
+    compute_edges,
+)
+
+from .config import (
+    MoleculeGraphConfig,
+)
+
+def initialise_graph_with_metadata(
+    rdmol: rdkit.Mol,
+    coords: np.array,
+) -> nx.Graph:
+    """
+    Initializes the nx Graph object with initial metadata.
+
+    :param rdmol: Processed Dataframe of molecule structure.
+    :type rdmol: rdkit.Mol
+    :return: Returns initial molecule structure graph with metadata.
+    :rtype: nx.Graph
+    """
+    G = nx.Graph(
+        rdmol=rdmol,
+        coords=coords,
+    )
+
+    return G
+
+
+def add_nodes_to_graph(
+    G: nx.Graph,
+    verbose: bool = False,
+) -> nx.Graph:
+    """Add nodes into molecule graph.
+
+    :param G: ``nx.Graph`` with metadata to populate with nodes.
+    :type G: nx.Graphptional
+    :param verbose: Controls verbosity of this step.
+    :type verbose: bool
+    :returns: nx.Graph with nodes added.
+    :rtype: nx.Graph
+    """
+    for atom in G.graph["rdmol"].GetAtoms():
+        G.add_node(atom.GetIdx(),
+                   atomic_num=atom.GetAtomicNum())
+
+    # TODO: include charge, line_idx for traceability?
+    if verbose:
+        print(nx.info(G))
+        print(G.nodes())
+
+    return G
+
+def construct_graph(
+    config: Optional[MoleculeGraphConfig] = None,
+    sdf_path: Optional[str] = None,
+    smiles: Optional[str] = None,
+    mol2_path: Optional[str] = None,
+    pdb_path: Optional[str] = None,
+    edge_construction_funcs: Optional[str] = None,
+    edge_annotation_funcs: Optional[List[Callable]] = None,
+    node_annotation_funcs: Optional[List[Callable]] = None,
+    graph_annotation_funcs: Optional[List[Callable]] = None,
+) -> nx.Graph:
+    """
+    Constructs protein structure graph from a ``sdf_path`` or ``smiles``.
+
+    Users can provide a :class:`~graphein.molecule.config.MoleculeGraphConfig`
+    object to specify construction parameters.
+
+    However, config parameters can be overridden by passing arguments directly to the function.
+
+    :param config: :class:`~graphein.molecule.config.MoleculeGraphConfig` object. If None, defaults to config in ``graphein.molecule.config``.
+    :type config: graphein.molecule.config.MoleculeGraphConfig, optional
+    :param sdf_path: Path to ``sdf_file`` to build graph from. Default is ``None``.
+    :type sdf_path: str, optional
+    :param smiles: smiles string to build graph from. Default is ``None``.
+    :type smiles: str, optional
+    :param mol2_path: Path to ``mol2_file`` to build graph from. Default is ``None``.
+    :type mol2_path: str, optional
+    :param pdb_path: Path to ``pdb_file`` to build graph from. Default is ``None``.
+    :type pdb_path: str, optional
+    :param edge_construction_funcs: List of edge construction functions. Default is ``None``.
+    :type edge_construction_funcs: List[Callable], optional
+    :param edge_annotation_funcs: List of edge annotation functions. Default is ``None``.
+    :type edge_annotation_funcs: List[Callable], optional
+    :param node_annotation_funcs: List of node annotation functions. Default is ``None``.
+    :type node_annotation_funcs: List[Callable], optional
+    :param graph_annotation_funcs: List of graph annotation function. Default is ``None``.
+    :type graph_annotation_funcs: List[Callable]
+    :return: Molecule Structure Graph
+    :type: nx.Graph
+    """
+
+    # If no config is provided, use default
+    if config is None:
+        config = MoleculeGraphConfig()
+
+    config.node_metadata_functions = (
+        node_annotation_funcs
+        if config.node_metadata_functions is None
+        else config.node_metadata_functions
+    )
+    config.graph_metadata_functions = (
+        graph_annotation_funcs
+        if config.graph_metadata_functions is None
+        else config.graph_metadata_functions
+    )
+    config.edge_metadata_functions = (
+        edge_annotation_funcs
+        if config.edge_metadata_functions is None
+        else config.edge_metadata_functions
+    )
+    config.edge_construction_functions = (
+        edge_construction_funcs
+        if config.edge_construction_functions is None
+        else config.edge_construction_functions
+    )
+
+    coords = None
+    if smiles is not None:
+        rdmol = Chem.MolFromSmiles(smiles)
+    
+    if sdf_path is not None:
+        rdmol = Chem.SDMolSupplier(sdf_path)[0]
+        coords = []
+        for idx in range(rdmol.GetNumAtoms()):
+            coords.append(list(rdmol.GetConformer(0).GetAtomPosition(idx)))
+
+    if mol2_path is not None:
+        rdmol = Chem.MolFromMol2File(mol2_path)
+        coords = []
+        for idx in range(rdmol.GetNumAtoms()):
+            coords.append(list(rdmol.GetConformer(0).GetAtomPosition(idx)))
+
+    if pdb_path is not None:
+        rdmol = Chem.MolFromPDBFile(pdb_path)
+        coords = []
+        for idx in range(rdmol.GetNumAtoms()):
+            coords.append(list(rdmol.GetConformer(0).GetAtomPosition(idx)))
+    
+    if coords is None:
+        # If no coords are provided, add edges by bonds
+        config.edge_construction_functions = [add_atom_bonds]
+    else:
+        # If config params are provided, overwrite them
+        config.edge_construction_functions = (
+            edge_construction_funcs
+            if config.edge_construction_functions is None
+            else config.edge_construction_functions
+            )   
+
+    # Initialise graph with metadata
+    if coords is None:
+        g = initialise_graph_with_metadata(
+            rdmol=rdmol,
+            coords=None,
+        )
+    else:
+        g = initialise_graph_with_metadata(
+            rdmol=rdmol,
+            coords=np.asarray(coords),
+        )
+
+    # Add nodes to graph
+    g = add_nodes_to_graph(g)
+
+    # Add config to graph
+    g.graph["config"] = config
+
+    # Annotate additional node metadata
+    if config.node_metadata_functions is not None:
+        g = annotate_node_metadata(g, config.node_metadata_functions)
+
+    # Compute graph edges
+    g = compute_edges(
+        g,
+        funcs=config.edge_construction_functions,
+    )
+
+    # Annotate additional graph metadata
+    if config.graph_metadata_functions is not None:
+        g = annotate_graph_metadata(g, config.graph_metadata_functions)
+
+    # Annotate additional edge metadata
+    if config.edge_metadata_functions is not None:
+        g = annotate_edge_metadata(g, config.edge_metadata_functions)
+
+    return g
\ No newline at end of file
diff --git a/tests/molecule/test_data/long_test.mol2 b/tests/molecule/test_data/long_test.mol2
new file mode 100644
index 000000000..9d8b97fa1
--- /dev/null
+++ b/tests/molecule/test_data/long_test.mol2
@@ -0,0 +1,77 @@
+@<TRIPOS>MOLECULE
+*****
+ 34 35 0 0 0
+SMALL
+GASTEIGER
+
+@<TRIPOS>ATOM
+      1 N           0.0827   -2.9412    2.6643 N.1     1  UNL1       -0.1935
+      2 C          -0.2337   -2.1602    1.8642 C.1     1  UNL1        0.0992
+      3 C          -0.5725   -1.1780    0.8083 C.3     1  UNL1        0.1719
+      4 C          -1.9878   -0.6494    0.9699 C.ar    1  UNL1       -0.0049
+      5 C          -3.0104   -1.0888    0.1126 C.ar    1  UNL1       -0.0551
+      6 C          -4.3161   -0.6181    0.2646 C.ar    1  UNL1       -0.0614
+      7 C          -4.6176    0.2938    1.2738 C.ar    1  UNL1       -0.0617
+      8 C          -3.6151    0.7380    2.1328 C.ar    1  UNL1       -0.0614
+      9 C          -2.3087    0.2699    1.9837 C.ar    1  UNL1       -0.0551
+     10 O           0.3185   -0.0480    0.8373 O.3     1  UNL1       -0.3306
+     11 C           1.5766   -0.3002    0.2050 C.3     1  UNL1        0.1566
+     12 N           1.4085   -0.2613   -1.2546 N.ar    1  UNL1       -0.3243
+     13 C           2.0266   -1.1143   -2.1377 C.ar    1  UNL1        0.0073
+     14 C           1.6039   -0.7925   -3.4090 C.ar    1  UNL1       -0.0441
+     15 C           0.6968    0.2869   -3.2936 C.ar    1  UNL1       -0.0441
+     16 C           0.5918    0.5945   -1.9555 C.ar    1  UNL1        0.0073
+     17 C           2.5496    0.7131    0.7420 C.2     1  UNL1       -0.0319
+     18 C           3.2834    1.6016    0.0514 C.2     1  UNL1       -0.0222
+     19 C           4.2003    2.5282    0.7561 C.2     1  UNL1        0.1429
+     20 O           4.3897    2.5020    1.9648 O.2     1  UNL1       -0.2963
+     21 H          -0.5033   -1.6714   -0.1690 H       1  UNL1        0.0808
+     22 H          -2.8016   -1.8000   -0.6844 H       1  UNL1        0.0621
+     23 H          -5.1002   -0.9633   -0.4049 H       1  UNL1        0.0618
+     24 H          -5.6347    0.6590    1.3913 H       1  UNL1        0.0618
+     25 H          -3.8498    1.4500    2.9202 H       1  UNL1        0.0618
+     26 H          -1.5381    0.6314    2.6631 H       1  UNL1        0.0621
+     27 H           1.9431   -1.3010    0.4656 H       1  UNL1        0.0886
+     28 H           2.7176   -1.8753   -1.7967 H       1  UNL1        0.0810
+     29 H           1.9152   -1.2836   -4.3225 H       1  UNL1        0.0632
+     30 H           0.1739    0.7863   -4.0996 H       1  UNL1        0.0632
+     31 H           0.0046    1.3483   -1.4442 H       1  UNL1        0.0810
+     32 H           2.6481    0.6929    1.8279 H       1  UNL1        0.0617
+     33 H           3.2483    1.6979   -1.0273 H       1  UNL1        0.0648
+     34 H           4.7105    3.2529    0.1001 H       1  UNL1        0.1075
+@<TRIPOS>BOND
+     1     1     2    3
+     2     2     3    1
+     3     3     4    1
+     4     4     5   ar
+     5     5     6   ar
+     6     6     7   ar
+     7     7     8   ar
+     8     8     9   ar
+     9     3    10    1
+    10    10    11    1
+    11    11    12    1
+    12    12    13   ar
+    13    13    14   ar
+    14    14    15   ar
+    15    15    16   ar
+    16    11    17    1
+    17    17    18    2
+    18    18    19    1
+    19    19    20    2
+    20     9     4   ar
+    21    16    12   ar
+    22     3    21    1
+    23     5    22    1
+    24     6    23    1
+    25     7    24    1
+    26     8    25    1
+    27     9    26    1
+    28    11    27    1
+    29    13    28    1
+    30    14    29    1
+    31    15    30    1
+    32    16    31    1
+    33    17    32    1
+    34    18    33    1
+    35    19    34    1
diff --git a/tests/molecule/test_data/long_test.pdb b/tests/molecule/test_data/long_test.pdb
new file mode 100644
index 000000000..1c2bdbbcf
--- /dev/null
+++ b/tests/molecule/test_data/long_test.pdb
@@ -0,0 +1,72 @@
+COMPND    UNNAMED
+AUTHOR    GENERATED BY OPEN BABEL 3.1.0
+HETATM    1  N   UNL     1       0.083  -2.941   2.664  1.00  0.00           N  
+HETATM    2  C   UNL     1      -0.234  -2.160   1.864  1.00  0.00           C  
+HETATM    3  C   UNL     1      -0.573  -1.178   0.808  1.00  0.00           C  
+HETATM    4  C   UNL     1      -1.988  -0.649   0.970  1.00  0.00           C  
+HETATM    5  C   UNL     1      -3.010  -1.089   0.113  1.00  0.00           C  
+HETATM    6  C   UNL     1      -4.316  -0.618   0.265  1.00  0.00           C  
+HETATM    7  C   UNL     1      -4.618   0.294   1.274  1.00  0.00           C  
+HETATM    8  C   UNL     1      -3.615   0.738   2.133  1.00  0.00           C  
+HETATM    9  C   UNL     1      -2.309   0.270   1.984  1.00  0.00           C  
+HETATM   10  O   UNL     1       0.319  -0.048   0.837  1.00  0.00           O  
+HETATM   11  C   UNL     1       1.577  -0.300   0.205  1.00  0.00           C  
+HETATM   12  N   UNL     1       1.409  -0.261  -1.255  1.00  0.00           N  
+HETATM   13  C   UNL     1       2.027  -1.114  -2.138  1.00  0.00           C  
+HETATM   14  C   UNL     1       1.604  -0.792  -3.409  1.00  0.00           C  
+HETATM   15  C   UNL     1       0.697   0.287  -3.294  1.00  0.00           C  
+HETATM   16  C   UNL     1       0.592   0.595  -1.956  1.00  0.00           C  
+HETATM   17  C   UNL     1       2.550   0.713   0.742  1.00  0.00           C  
+HETATM   18  C   UNL     1       3.283   1.602   0.051  1.00  0.00           C  
+HETATM   19  C   UNL     1       4.200   2.528   0.756  1.00  0.00           C  
+HETATM   20  O   UNL     1       4.390   2.502   1.965  1.00  0.00           O  
+HETATM   21  H   UNL     1      -0.503  -1.671  -0.169  1.00  0.00           H  
+HETATM   22  H   UNL     1      -2.802  -1.800  -0.684  1.00  0.00           H  
+HETATM   23  H   UNL     1      -5.100  -0.963  -0.405  1.00  0.00           H  
+HETATM   24  H   UNL     1      -5.635   0.659   1.391  1.00  0.00           H  
+HETATM   25  H   UNL     1      -3.850   1.450   2.920  1.00  0.00           H  
+HETATM   26  H   UNL     1      -1.538   0.631   2.663  1.00  0.00           H  
+HETATM   27  H   UNL     1       1.943  -1.301   0.466  1.00  0.00           H  
+HETATM   28  H   UNL     1       2.718  -1.875  -1.797  1.00  0.00           H  
+HETATM   29  H   UNL     1       1.915  -1.284  -4.322  1.00  0.00           H  
+HETATM   30  H   UNL     1       0.174   0.786  -4.100  1.00  0.00           H  
+HETATM   31  H   UNL     1       0.005   1.348  -1.444  1.00  0.00           H  
+HETATM   32  H   UNL     1       2.648   0.693   1.828  1.00  0.00           H  
+HETATM   33  H   UNL     1       3.248   1.698  -1.027  1.00  0.00           H  
+HETATM   34  H   UNL     1       4.710   3.253   0.100  1.00  0.00           H  
+CONECT    1    2    2    2                                            
+CONECT    2    1    1    1    3                                       
+CONECT    3    2    4   10   21                                       
+CONECT    4    3    5    5    9                                       
+CONECT    5    4    4    6   22                                       
+CONECT    6    5    7    7   23                                       
+CONECT    7    6    6    8   24                                       
+CONECT    8    7    9    9   25                                       
+CONECT    9    8    8    4   26                                       
+CONECT   10    3   11                                                 
+CONECT   11   10   12   17   27                                       
+CONECT   12   11   13   16                                            
+CONECT   13   12   14   14   28                                       
+CONECT   14   13   13   15   29                                       
+CONECT   15   14   16   16   30                                       
+CONECT   16   15   15   12   31                                       
+CONECT   17   11   18   18   32                                       
+CONECT   18   17   17   19   33                                       
+CONECT   19   18   20   20   34                                       
+CONECT   20   19   19                                                 
+CONECT   21    3                                                      
+CONECT   22    5                                                      
+CONECT   23    6                                                      
+CONECT   24    7                                                      
+CONECT   25    8                                                      
+CONECT   26    9                                                      
+CONECT   27   11                                                      
+CONECT   28   13                                                      
+CONECT   29   14                                                      
+CONECT   30   15                                                      
+CONECT   31   16                                                      
+CONECT   32   17                                                      
+CONECT   33   18                                                      
+CONECT   34   19                                                      
+MASTER        0    0    0    0    0    0    0    0   34    0   34    0
+END
diff --git a/tests/molecule/test_data/long_test.sdf b/tests/molecule/test_data/long_test.sdf
new file mode 100644
index 000000000..3e7b3c92a
--- /dev/null
+++ b/tests/molecule/test_data/long_test.sdf
@@ -0,0 +1,75 @@
+
+ OpenBabel04122222413D
+
+ 34 35  0  0  0  0  0  0  0  0999 V2000
+    0.0827   -2.9412    2.6643 N   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.2337   -2.1602    1.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.5725   -1.1780    0.8083 C   0  0  1  0  0  0  0  0  0  0  0  0
+   -1.9878   -0.6494    0.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -3.0104   -1.0888    0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -4.3161   -0.6181    0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -4.6176    0.2938    1.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -3.6151    0.7380    2.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -2.3087    0.2699    1.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.3185   -0.0480    0.8373 O   0  0  0  0  0  0  0  0  0  0  0  0
+    1.5766   -0.3002    0.2050 C   0  0  1  0  0  0  0  0  0  0  0  0
+    1.4085   -0.2613   -1.2546 N   0  0  0  0  0  0  0  0  0  0  0  0
+    2.0266   -1.1143   -2.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
+    1.6039   -0.7925   -3.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.6968    0.2869   -3.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
+    0.5918    0.5945   -1.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
+    2.5496    0.7131    0.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
+    3.2834    1.6016    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
+    4.2003    2.5282    0.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
+    4.3897    2.5020    1.9648 O   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.5033   -1.6714   -0.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -2.8016   -1.8000   -0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -5.1002   -0.9633   -0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -5.6347    0.6590    1.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -3.8498    1.4500    2.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.5381    0.6314    2.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
+    1.9431   -1.3010    0.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
+    2.7176   -1.8753   -1.7967 H   0  0  0  0  0  0  0  0  0  0  0  0
+    1.9152   -1.2836   -4.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
+    0.1739    0.7863   -4.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
+    0.0046    1.3483   -1.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
+    2.6481    0.6929    1.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
+    3.2483    1.6979   -1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
+    4.7105    3.2529    0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  3  0  0  0  0
+  2  3  1  0  0  0  0
+  3  4  1  0  0  0  0
+  3 10  1  0  0  0  0
+  3 21  1  6  0  0  0
+  4  5  2  0  0  0  0
+  5  6  1  0  0  0  0
+  5 22  1  0  0  0  0
+  6  7  2  0  0  0  0
+  6 23  1  0  0  0  0
+  7  8  1  0  0  0  0
+  7 24  1  0  0  0  0
+  8  9  2  0  0  0  0
+  8 25  1  0  0  0  0
+  9  4  1  0  0  0  0
+  9 26  1  0  0  0  0
+ 10 11  1  0  0  0  0
+ 11 12  1  0  0  0  0
+ 11 17  1  0  0  0  0
+ 11 27  1  1  0  0  0
+ 12 13  1  0  0  0  0
+ 13 14  2  0  0  0  0
+ 13 28  1  0  0  0  0
+ 14 15  1  0  0  0  0
+ 14 29  1  0  0  0  0
+ 15 16  2  0  0  0  0
+ 15 30  1  0  0  0  0
+ 16 12  1  0  0  0  0
+ 16 31  1  0  0  0  0
+ 17 18  2  3  0  0  0
+ 17 32  1  0  0  0  0
+ 18 19  1  0  0  0  0
+ 18 33  1  0  0  0  0
+ 19 20  2  0  0  0  0
+ 19 34  1  0  0  0  0
+M  END
+$$$$
diff --git a/tests/molecule/test_data/short_test.mol2 b/tests/molecule/test_data/short_test.mol2
new file mode 100644
index 000000000..87cbd1406
--- /dev/null
+++ b/tests/molecule/test_data/short_test.mol2
@@ -0,0 +1,27 @@
+@<TRIPOS>MOLECULE
+*****
+ 10 9 0 0 0
+SMALL
+GASTEIGER
+
+@<TRIPOS>ATOM
+      1 C           0.9862   -0.2570   -0.1905 C.3     1  UNL1       -0.0528
+      2 C          -0.2052    0.2236    0.6206 C.3     1  UNL1       -0.0097
+      3 N          -1.4201    0.2357   -0.1847 N.3     1  UNL1       -0.3302
+      4 H           1.1699    0.3960   -1.0503 H       1  UNL1        0.0242
+      5 H           1.8883   -0.2595    0.4297 H       1  UNL1        0.0242
+      6 H           0.8288   -1.2756   -0.5608 H       1  UNL1        0.0242
+      7 H          -0.3535   -0.4295    1.4867 H       1  UNL1        0.0419
+      8 H          -0.0143    1.2327    0.9999 H       1  UNL1        0.0419
+      9 H          -1.5964   -0.6993   -0.5510 H       1  UNL1        0.1182
+     10 H          -1.2837    0.8329   -0.9996 H       1  UNL1        0.1182
+@<TRIPOS>BOND
+     1     1     2    1
+     2     2     3    1
+     3     1     4    1
+     4     1     5    1
+     5     1     6    1
+     6     2     7    1
+     7     2     8    1
+     8     3     9    1
+     9     3    10    1
diff --git a/tests/molecule/test_data/short_test.pdb b/tests/molecule/test_data/short_test.pdb
new file mode 100644
index 000000000..5c1c3de24
--- /dev/null
+++ b/tests/molecule/test_data/short_test.pdb
@@ -0,0 +1,24 @@
+COMPND    UNNAMED
+AUTHOR    GENERATED BY OPEN BABEL 3.1.0
+HETATM    1  C   UNL     1       0.986  -0.257  -0.191  1.00  0.00           C  
+HETATM    2  C   UNL     1      -0.205   0.224   0.621  1.00  0.00           C  
+HETATM    3  N   UNL     1      -1.420   0.236  -0.185  1.00  0.00           N  
+HETATM    4  H   UNL     1       1.170   0.396  -1.050  1.00  0.00           H  
+HETATM    5  H   UNL     1       1.888  -0.260   0.430  1.00  0.00           H  
+HETATM    6  H   UNL     1       0.829  -1.276  -0.561  1.00  0.00           H  
+HETATM    7  H   UNL     1      -0.353  -0.429   1.487  1.00  0.00           H  
+HETATM    8  H   UNL     1      -0.014   1.233   1.000  1.00  0.00           H  
+HETATM    9  H   UNL     1      -1.596  -0.699  -0.551  1.00  0.00           H  
+HETATM   10  H   UNL     1      -1.284   0.833  -1.000  1.00  0.00           H  
+CONECT    1    2    4    5    6                                       
+CONECT    2    1    3    7    8                                       
+CONECT    3    2    9   10                                            
+CONECT    4    1                                                      
+CONECT    5    1                                                      
+CONECT    6    1                                                      
+CONECT    7    2                                                      
+CONECT    8    2                                                      
+CONECT    9    3                                                      
+CONECT   10    3                                                      
+MASTER        0    0    0    0    0    0    0    0   10    0   10    0
+END
diff --git a/tests/molecule/test_data/short_test.sdf b/tests/molecule/test_data/short_test.sdf
new file mode 100644
index 000000000..dcfddaa30
--- /dev/null
+++ b/tests/molecule/test_data/short_test.sdf
@@ -0,0 +1,25 @@
+
+ OpenBabel04122216443D
+
+ 10  9  0  0  0  0  0  0  0  0999 V2000
+    0.9862   -0.2570   -0.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.2052    0.2236    0.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.4201    0.2357   -0.1847 N   0  0  0  0  0  0  0  0  0  0  0  0
+    1.1699    0.3960   -1.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
+    1.8883   -0.2595    0.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
+    0.8288   -1.2756   -0.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.3535   -0.4295    1.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -0.0143    1.2327    0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.5964   -0.6993   -0.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
+   -1.2837    0.8329   -0.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
+  1  2  1  0  0  0  0
+  1  4  1  0  0  0  0
+  1  5  1  0  0  0  0
+  1  6  1  0  0  0  0
+  2  3  1  0  0  0  0
+  2  7  1  0  0  0  0
+  2  8  1  0  0  0  0
+  3  9  1  0  0  0  0
+  3 10  1  0  0  0  0
+M  END
+$$$$
diff --git a/tests/molecule/test_graphs.py b/tests/molecule/test_graphs.py
new file mode 100644
index 000000000..f88241ba4
--- /dev/null
+++ b/tests/molecule/test_graphs.py
@@ -0,0 +1,28 @@
+import sys
+sys.path.append('/data/yuanqi/graphein')
+
+from graphein.molecule.graphs import construct_graph
+from graphein.molecule.config import MoleculeGraphConfig
+
+config = MoleculeGraphConfig()
+
+def test_generate_graph_sdf():
+    g = construct_graph(config=config, sdf_path="/data/yuanqi/graphein/tests/molecule/test_data/long_test.sdf")
+    return g 
+
+def test_generate_graph_smiles():
+    g = construct_graph(config=config, smiles="N[C@H](CCCc1ccc(N(CCCl)CCCl)cc1)C(=O)O")
+    return g 
+
+def test_generate_graph_mol2():
+    g = construct_graph(config=config, mol2_path="/data/yuanqi/graphein/tests/molecule/test_data/short_test.mol2")
+    return g 
+
+def test_generate_graph_pdb():
+    g = construct_graph(config=config, pdb_path="/data/yuanqi/graphein/tests/molecule/test_data/long_test.pdb")
+    return g 
+
+test_generate_graph_sdf()
+test_generate_graph_smiles()
+test_generate_graph_mol2()
+test_generate_graph_pdb()

From 2554e240265cd3e9fb9d72fa0cbf1a13396ce020 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Thu, 14 Apr 2022 14:35:52 +0100
Subject: [PATCH 02/51] add rdkit as optional dependency

---
 .requirements/extras.in | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/.requirements/extras.in b/.requirements/extras.in
index 2e0dffc1a..ddc4168e5 100644
--- a/.requirements/extras.in
+++ b/.requirements/extras.in
@@ -1,4 +1,5 @@
 biovec
 propy3
 pyaaisc
-mpl_chord_diagram
\ No newline at end of file
+mpl_chord_diagram
+rdkit-pypi
\ No newline at end of file

From 8d55f67bb378f0add973ba008ee37f71f64f263e Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Thu, 14 Apr 2022 14:39:13 +0100
Subject: [PATCH 03/51] lint atomic edges

---
 graphein/molecule/edges/atomic.py | 19 ++++++++++---------
 1 file changed, 10 insertions(+), 9 deletions(-)

diff --git a/graphein/molecule/edges/atomic.py b/graphein/molecule/edges/atomic.py
index 73dd37e15..6e0a5ba22 100644
--- a/graphein/molecule/edges/atomic.py
+++ b/graphein/molecule/edges/atomic.py
@@ -1,22 +1,25 @@
-"""Functions for computing atomic structure of proteins."""
-import logging
-
+"""Functions for computing atomic structure of molecules."""
 # %%
 # Graphein
 # Author: Arian Jamasb <arian@jamasb.io>
 # License: MIT
 # Project Website: https://github.com/a-r-j/graphein
 # Code Repository: https://github.com/a-r-j/graphein
-from typing import Any, Dict
+import logging
 
 import networkx as nx
-import numpy as np
-import pandas as pd
-
 
 log = logging.getLogger(__name__)
 
+
 def add_atom_bonds(G: nx.Graph) -> nx.Graph:
+    """Adds atomic bonds to a molecular graph.
+
+    :param G: Molecular graph to add atomic bond edges to.
+    :type G: nx.Graph
+    :return: Molecular graph with atomic bonds added.
+    :rtype: nx.Graph
+    """
     for bond in G.graph["rdmol"].GetBonds():
         n1, n2 = bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()
         if G.has_edge(n1, n2):
@@ -24,5 +27,3 @@ def add_atom_bonds(G: nx.Graph) -> nx.Graph:
         else:
             G.add_edge(n1, n2, kind={"bond"})
     return G
-    
-

From ea8c50e2139a31a832f90a84712a4f4424ed1b34 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Thu, 14 Apr 2022 14:48:40 +0100
Subject: [PATCH 04/51] lint distance

---
 graphein/molecule/edges/distance.py | 76 ++++++++++++++---------------
 1 file changed, 36 insertions(+), 40 deletions(-)

diff --git a/graphein/molecule/edges/distance.py b/graphein/molecule/edges/distance.py
index 36db4dea3..4a1cc725d 100644
--- a/graphein/molecule/edges/distance.py
+++ b/graphein/molecule/edges/distance.py
@@ -1,4 +1,5 @@
 """Functions for computing biochemical edges of graphs."""
+
 # Graphein
 # Author: Eric Ma, Arian Jamasb <arian@jamasb.io>
 # License: MIT
@@ -6,9 +7,9 @@
 # Code Repository: https://github.com/a-r-j/graphein
 from __future__ import annotations
 
+import itertools
 import logging
-from itertools import combinations
-from typing import Dict, List, Optional, Tuple, Union
+from typing import Union
 
 import networkx as nx
 import numpy as np
@@ -16,11 +17,10 @@
 from sklearn.metrics import pairwise_distances
 from sklearn.neighbors import kneighbors_graph
 
-
 log = logging.getLogger(__name__)
 
 
-def compute_distmat(coords: np.array) -> np.array:
+def compute_distmat(coords: np.ndarray) -> np.ndarray:
     """
     Compute pairwise euclidean distances between every atom.
 
@@ -32,32 +32,36 @@ def compute_distmat(coords: np.array) -> np.array:
     :return: pd.Dataframe of euclidean distance matrix
     :rtype: pd.DataFrame
     """
-    eucl_dists = pairwise_distances(
-        coords, metric="euclidean"
-    )
+    return pairwise_distances(coords, metric="euclidean")
 
-    return eucl_dists
 
-def get_interacting_atoms(angstroms: float, distmat: pd.DataFrame):
-    """Find the atoms that are within a particular radius of one another."""
+def get_interacting_atoms(
+    angstroms: float, distmat: pd.DataFrame
+) -> np.ndarray:
+    """Find the atoms that are within a particular radius of one another.
+
+    :param angstroms: radius in angstroms
+    :type angstroms: float
+    :param distmat: distance matrix
+    :type distmat: pd.DataFrame
+    :returns: Array of interacting atoms
+    :rtype: np.ndarray
+    """
     return np.where(distmat <= angstroms)
 
-def add_distance_threshold(
-    G: nx.Graph, long_interaction_threshold: int = 5.0, threshold: float = 5.0
-):
+
+def add_distance_threshold(G: nx.Graph, threshold: float = 5.0):
     """
     Adds edges to any nodes within a given distance of each other. Long interaction threshold is used
     to specify minimum separation in sequence to add an edge between networkx nodes within the distance threshold
 
     :param G: molecule structure graph to add distance edges to
     :type G: nx.Graph
-    :param long_interaction_threshold: minimum distance in sequence for two nodes to be connected
-    :type long_interaction_threshold: int
-    :param threshold: Distance in angstroms, below which two nodes are connected
+    :param threshold: Distance in angstroms, below which two nodes are connected.
     :type threshold: float
     :return: Graph with distance-based edges added
     """
-    
+
     dist_mat = compute_distmat(G.graph["coords"])
     interacting_nodes = get_interacting_atoms(threshold, distmat=dist_mat)
     interacting_nodes = list(zip(interacting_nodes[0], interacting_nodes[1]))
@@ -76,29 +80,27 @@ def add_distance_threshold(
         f"Added {count} distance edges. ({len(list(interacting_nodes)) - count} removed by LIN)"
     )
 
-def add_fully_connected_edges(
-    G: nx.Graph,
-):
+
+def add_fully_connected_edges(G: nx.Graph,):
     """
-    Adds fully connected edges to nodes 
+    Adds fully connected edges to nodes.
 
-    :param G: molecule structure graph to add distance edges to
+    :param G: Molecule structure graph to add distance edges to.
     :type G: nx.Graph
-    :return: Graph with knn-based edges added
+    :return: Graph with fully connected edges added.
     :rtype: nx.Graph
     """
     length = len(G.graph["coords"])
-    
-    for n1 in range(length):
-        for n2 in range(length):
-            if G.has_edge(n1, n2):
-                G.edges[n1, n2]["kind"].add("fully_connected")
-            else:
-                G.add_edge(n1, n2, kind={"fully_connected"})
+
+    for n1, n2 in itertools.product(range(length), range(length)):
+        if G.has_edge(n1, n2):
+            G.edges[n1, n2]["kind"].add("fully_connected")
+        else:
+            G.add_edge(n1, n2, kind={"fully_connected"})
+
 
 def add_k_nn_edges(
     G: nx.Graph,
-    long_interaction_threshold: int = 5,
     k: int = 1,
     mode: str = "connectivity",
     metric: str = "minkowski",
@@ -106,13 +108,10 @@ def add_k_nn_edges(
     include_self: Union[bool, str] = False,
 ):
     """
-    Adds edges to nodes based on K nearest neighbours. Long interaction threshold is used
-    to specify minimum separation in sequence to add an edge between networkx nodes within the distance threshold
+    Adds edges to nodes based on K nearest neighbours.
 
-    :param G: molecule structure graph to add distance edges to
+    :param G: Molecule structure graph to add distance edges to.
     :type G: nx.Graph
-    :param long_interaction_threshold: minimum distance in sequence for two nodes to be connected
-    :type long_interaction_threshold: int
     :param k: Number of neighbors for each sample.
     :type k: int
     :param mode: Type of returned matrix: ``"connectivity"`` will return the connectivity matrix with ones and zeros,
@@ -128,7 +127,7 @@ def add_k_nn_edges(
     :param include_self: Whether or not to mark each sample as the first nearest neighbor to itself.
         If ``"auto"``, then ``True`` is used for ``mode="connectivity"`` and ``False`` for ``mode="distance"``. Default is ``False``.
     :type include_self: Union[bool, str]
-    :return: Graph with knn-based edges added
+    :return: Graph with knn-based edges added.
     :rtype: nx.Graph
     """
     dist_mat = compute_distmat(G.graph["coords"])
@@ -154,6 +153,3 @@ def add_k_nn_edges(
             G.edges[n1, n2]["kind"].add("k_nn")
         else:
             G.add_edge(n1, n2, kind={"k_nn"})
-            
-
-

From eb3d63471edc43e45f4453d7b631cce5b8a35de2 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Thu, 14 Apr 2022 14:58:52 +0100
Subject: [PATCH 05/51] lint graphs

---
 graphein/molecule/graphs.py | 95 ++++++++++++++-----------------------
 1 file changed, 36 insertions(+), 59 deletions(-)

diff --git a/graphein/molecule/graphs.py b/graphein/molecule/graphs.py
index aa6747f75..49868954c 100644
--- a/graphein/molecule/graphs.py
+++ b/graphein/molecule/graphs.py
@@ -7,38 +7,31 @@
 # Code Repository: https://github.com/a-r-j/graphein
 from __future__ import annotations
 
-import logging
-import multiprocessing
-import traceback
-from functools import partial
-from typing import Any, Callable, Dict, List, Optional, Tuple, Union
-
-import rdkit
-from rdkit import Chem
+from typing import Any, Callable, Dict, List, Optional
+
 import networkx as nx
 import numpy as np
-import pandas as pd
 
 from graphein.molecule.edges.atomic import add_atom_bonds
-
-# from graphein.molecule.config import (
-#     MoleculeGraphConfig,
-# )
-
 from graphein.utils.utils import (
     annotate_edge_metadata,
     annotate_graph_metadata,
     annotate_node_metadata,
     compute_edges,
+    import_message,
 )
 
-from .config import (
-    MoleculeGraphConfig,
-)
+from .config import MoleculeGraphConfig
+
+try:
+    import rdkit
+    from rdkit import Chem
+except ImportError:
+    import_message("graphein.molecule.graphs", "rdkit", "rdkit", True)
+
 
 def initialise_graph_with_metadata(
-    rdmol: rdkit.Mol,
-    coords: np.array,
+    rdmol: rdkit.Mol, coords: np.ndarray,
 ) -> nx.Graph:
     """
     Initializes the nx Graph object with initial metadata.
@@ -48,38 +41,29 @@ def initialise_graph_with_metadata(
     :return: Returns initial molecule structure graph with metadata.
     :rtype: nx.Graph
     """
-    G = nx.Graph(
-        rdmol=rdmol,
-        coords=coords,
-    )
+    return nx.Graph(rdmol=rdmol, coords=coords,)
 
-    return G
 
-
-def add_nodes_to_graph(
-    G: nx.Graph,
-    verbose: bool = False,
-) -> nx.Graph:
+def add_nodes_to_graph(G: nx.Graph, verbose: bool = False,) -> nx.Graph:
     """Add nodes into molecule graph.
 
     :param G: ``nx.Graph`` with metadata to populate with nodes.
-    :type G: nx.Graphptional
+    :type G: nx.Graph
     :param verbose: Controls verbosity of this step.
     :type verbose: bool
     :returns: nx.Graph with nodes added.
     :rtype: nx.Graph
     """
     for atom in G.graph["rdmol"].GetAtoms():
-        G.add_node(atom.GetIdx(),
-                   atomic_num=atom.GetAtomicNum())
+        G.add_node(atom.GetIdx(), atomic_num=atom.GetAtomicNum())
 
-    # TODO: include charge, line_idx for traceability?
     if verbose:
         print(nx.info(G))
         print(G.nodes())
 
     return G
 
+
 def construct_graph(
     config: Optional[MoleculeGraphConfig] = None,
     sdf_path: Optional[str] = None,
@@ -149,46 +133,42 @@ def construct_graph(
     coords = None
     if smiles is not None:
         rdmol = Chem.MolFromSmiles(smiles)
-    
+
     if sdf_path is not None:
         rdmol = Chem.SDMolSupplier(sdf_path)[0]
-        coords = []
-        for idx in range(rdmol.GetNumAtoms()):
-            coords.append(list(rdmol.GetConformer(0).GetAtomPosition(idx)))
+        coords = [
+            list(rdmol.GetConformer(0).GetAtomPosition(idx))
+            for idx in range(rdmol.GetNumAtoms())
+        ]
 
     if mol2_path is not None:
         rdmol = Chem.MolFromMol2File(mol2_path)
-        coords = []
-        for idx in range(rdmol.GetNumAtoms()):
-            coords.append(list(rdmol.GetConformer(0).GetAtomPosition(idx)))
+        coords = [
+            list(rdmol.GetConformer(0).GetAtomPosition(idx))
+            for idx in range(rdmol.GetNumAtoms())
+        ]
 
     if pdb_path is not None:
         rdmol = Chem.MolFromPDBFile(pdb_path)
-        coords = []
-        for idx in range(rdmol.GetNumAtoms()):
-            coords.append(list(rdmol.GetConformer(0).GetAtomPosition(idx)))
-    
+        coords = [
+            list(rdmol.GetConformer(0).GetAtomPosition(idx))
+            for idx in range(rdmol.GetNumAtoms())
+        ]
+
     if coords is None:
         # If no coords are provided, add edges by bonds
         config.edge_construction_functions = [add_atom_bonds]
+        g = initialise_graph_with_metadata(rdmol=rdmol, coords=None,)
     else:
         # If config params are provided, overwrite them
         config.edge_construction_functions = (
             edge_construction_funcs
             if config.edge_construction_functions is None
             else config.edge_construction_functions
-            )   
-
-    # Initialise graph with metadata
-    if coords is None:
-        g = initialise_graph_with_metadata(
-            rdmol=rdmol,
-            coords=None,
         )
-    else:
+
         g = initialise_graph_with_metadata(
-            rdmol=rdmol,
-            coords=np.asarray(coords),
+            rdmol=rdmol, coords=np.asarray(coords),
         )
 
     # Add nodes to graph
@@ -202,10 +182,7 @@ def construct_graph(
         g = annotate_node_metadata(g, config.node_metadata_functions)
 
     # Compute graph edges
-    g = compute_edges(
-        g,
-        funcs=config.edge_construction_functions,
-    )
+    g = compute_edges(g, funcs=config.edge_construction_functions,)
 
     # Annotate additional graph metadata
     if config.graph_metadata_functions is not None:
@@ -215,4 +192,4 @@ def construct_graph(
     if config.edge_metadata_functions is not None:
         g = annotate_edge_metadata(g, config.edge_metadata_functions)
 
-    return g
\ No newline at end of file
+    return g

From 299d69c1f3770f5f65f7174a15382c011a8de66f Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Thu, 14 Apr 2022 15:36:13 +0100
Subject: [PATCH 06/51] lint atom type

---
 graphein/molecule/features/nodes/atom_type.py | 36 ++++++++++---------
 1 file changed, 19 insertions(+), 17 deletions(-)

diff --git a/graphein/molecule/features/nodes/atom_type.py b/graphein/molecule/features/nodes/atom_type.py
index 78074732a..df33b49a3 100644
--- a/graphein/molecule/features/nodes/atom_type.py
+++ b/graphein/molecule/features/nodes/atom_type.py
@@ -1,42 +1,44 @@
-import logging
-from functools import lru_cache
-from pathlib import Path
-from typing import Any, Dict, List, Optional, Union
+"""Functions for featurising Small Molecule Graphs."""
+# %%
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>, Yuanqi Du
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+from typing import Any, Dict, List, Optional
 
 import numpy as np
 import pandas as pd
 
-from graphein.molecule.atoms import (
-    BASE_ATOMS,
-)
-
+from graphein.molecule.atoms import BASE_ATOMS
 from graphein.utils.utils import onek_encoding_unk
 
+
 def atom_type_one_hot(
     n,
     d: Dict[str, Any],
     return_array: bool = True,
     allowable_set: Optional[List[str]] = None,
 ) -> np.ndarray:
-    """Adds a one-hot encoding of amino acid types as a node attribute.
+    """Adds a one-hot encoding of atom types as a node attribute.
 
-    :param n: node name, this is unused and only included for compatibility with the other functions
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
     :type n: str
     :param d: Node data
     :type d: Dict[str, Any]
-    :param return_array: If True, returns a numpy array of one-hot encoding, otherwise returns a pd.Series. Default is True.
+    :param return_array: If ``True``, returns a numpy ``np.ndarray`` of one-hot encoding, otherwise returns a ``pd.Series``. Default is ``True``.
     :type return_array: bool
-    :param allowable_set: Specifies vocabulary of amino acids. Default is None (which uses `graphein.protein.resi_atoms.STANDARD_AMINO_ACIDS`).
-    :return: One-hot encoding of amino acid types
+    :param allowable_set: Specifies vocabulary of amino acids. Default is ``None`` (which uses `graphein.molecule.atoms.BASE_ATOMS`).
+    :return: One-hot encoding of amino acid types.
     :rtype: Union[pd.Series, np.ndarray]
     """
 
     if allowable_set is None:
         allowable_set = BASE_ATOMS
 
-    features = onek_encoding_unk(
-        d["atomic_num"], allowable_set
-    )
+    features = onek_encoding_unk(d["atomic_num"], allowable_set)
 
     if return_array:
         features = np.array(features).astype(int)
@@ -45,4 +47,4 @@ def atom_type_one_hot(
         features.index = allowable_set
 
     d["atom_type_one_hot"] = features
-    return features
\ No newline at end of file
+    return features

From 9ef623c19d671f501102531e1d9d26130ae324f4 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Thu, 14 Apr 2022 15:40:44 +0100
Subject: [PATCH 07/51] lint tests

---
 tests/molecule/test_graphs.py | 47 +++++++++++++++++++++++------------
 1 file changed, 31 insertions(+), 16 deletions(-)

diff --git a/tests/molecule/test_graphs.py b/tests/molecule/test_graphs.py
index f88241ba4..67eac25b7 100644
--- a/tests/molecule/test_graphs.py
+++ b/tests/molecule/test_graphs.py
@@ -1,28 +1,43 @@
-import sys
-sys.path.append('/data/yuanqi/graphein')
+from pathlib import Path
 
-from graphein.molecule.graphs import construct_graph
 from graphein.molecule.config import MoleculeGraphConfig
+from graphein.molecule.graphs import construct_graph
 
 config = MoleculeGraphConfig()
 
+
 def test_generate_graph_sdf():
-    g = construct_graph(config=config, sdf_path="/data/yuanqi/graphein/tests/molecule/test_data/long_test.sdf")
-    return g 
+    g = construct_graph(
+        config=config,
+        sdf_path=str(
+            (Path(__file__).parent / "test_data" / "long_test.sdf").resolve()
+        ),
+    )
+    return g
+
 
 def test_generate_graph_smiles():
-    g = construct_graph(config=config, smiles="N[C@H](CCCc1ccc(N(CCCl)CCCl)cc1)C(=O)O")
-    return g 
+    g = construct_graph(
+        config=config, smiles="N[C@H](CCCc1ccc(N(CCCl)CCCl)cc1)C(=O)O"
+    )
+    return g
+
 
 def test_generate_graph_mol2():
-    g = construct_graph(config=config, mol2_path="/data/yuanqi/graphein/tests/molecule/test_data/short_test.mol2")
-    return g 
+    g = construct_graph(
+        config=config,
+        mol2_path=str(
+            (Path(__file__).parent / "test_data" / "short_test.mol2").resolve()
+        ),
+    )
+    return g
 
-def test_generate_graph_pdb():
-    g = construct_graph(config=config, pdb_path="/data/yuanqi/graphein/tests/molecule/test_data/long_test.pdb")
-    return g 
 
-test_generate_graph_sdf()
-test_generate_graph_smiles()
-test_generate_graph_mol2()
-test_generate_graph_pdb()
+def test_generate_graph_pdb():
+    g = construct_graph(
+        config=config,
+        pdb_path=str(
+            (Path(__file__).parent / "test_data" / "long_test.pdb").resolve()
+        ),
+    )
+    return g

From 968b9ee2b0220416166697d0a1d2e21630852dd1 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Thu, 14 Apr 2022 18:40:10 +0100
Subject: [PATCH 08/51] additional node features from rdkit

---
 graphein/molecule/features/nodes/atom_type.py | 263 +++++++++++++++++-
 1 file changed, 262 insertions(+), 1 deletion(-)

diff --git a/graphein/molecule/features/nodes/atom_type.py b/graphein/molecule/features/nodes/atom_type.py
index df33b49a3..c879af686 100644
--- a/graphein/molecule/features/nodes/atom_type.py
+++ b/graphein/molecule/features/nodes/atom_type.py
@@ -26,7 +26,7 @@ def atom_type_one_hot(
 
     :param n: Node name, this is unused and only included for compatibility with the other functions.
     :type n: str
-    :param d: Node data
+    :param d: Node data.
     :type d: Dict[str, Any]
     :param return_array: If ``True``, returns a numpy ``np.ndarray`` of one-hot encoding, otherwise returns a ``pd.Series``. Default is ``True``.
     :type return_array: bool
@@ -48,3 +48,264 @@ def atom_type_one_hot(
 
     d["atom_type_one_hot"] = features
     return features
+
+
+def degree(n: str, d: Dict[str, Any]) -> int:
+    """Adds the degree of the node to the node data.
+
+    N.B. this is the degree as defined by RDKit rather than the 'true' degree of the node in the graph. For the latter, use nx.degree()
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Degree of the atom.
+    :rtype: int
+    """
+    degree = d["rdmol_atom"].GetDegree()
+    d["degree"] = degree
+    return degree
+
+
+def total_degree(n: str, d: Dict[str, Any]) -> int:
+    """Adds the total degree of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data.
+    :type d: Dict[str, Any]
+    :return: Total degree of the atom.
+    :rtype: int
+    """
+    total_degree = d["rdmol_atom"].GetTotalDegree()
+    d["total_degree"] = total_degree
+    return total_degree
+
+
+def total_valence(n: str, d: Dict[str, Any]) -> int:
+    """Adds the total valence of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data.
+    :type d: Dict[str, Any]
+    :return: Total valence of the atom.
+    :rtype: int
+    """
+    total_valence = d["rdmol_atom"].GetTotalValence()
+    d["total_valence"] = total_valence
+    return total_valence
+
+
+def explicit_valence(n: str, d: Dict[str, Any]) -> int:
+    """Adds explicit valence of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Explicit valence of the atom.
+    :rtype: int
+    """
+    explicit_valence = d["rdmol_atom"].GetMass()
+    d["explicit_valence"] = explicit_valence
+    return explicit_valence
+
+
+def implicit_valence(n: str, d: Dict[str, Any]) -> int:
+    """Adds implicit valence of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Implicit valence of the atom.
+    :rtype: int
+    """
+    implicit_valence = d["rdmol_atom"].GetMass()
+    d["implicit_valence"] = implicit_valence
+    return implicit_valence
+
+
+def num_implicit_h(n: str, d: Dict[str, Any]) -> int:
+    """Adds the number of implicit Hydrogens of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Number of implicit Hydrogens of the atom.
+    :rtype: int
+    """
+    implicit_hs = d["rdmol_atom"].GetNumImplicitHs()
+    d["num_implicit_h"] = implicit_hs
+    return implicit_hs
+
+
+def num_explicit_h(n: str, d: Dict[str, Any]) -> int:
+    """Adds the number of explicit Hydrogens of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Number of explicit Hydrogens of the atom.
+    :rtype: int
+    """
+    num_explicit_h = d["rdmol_atom"].GetNumExplicitHs()
+    d["num_explicit_h"] = num_explicit_h
+    return num_explicit_h
+
+
+def total_num_h(n: str, d: Dict[str, Any]) -> int:
+    """Adds the total number of Hydrogens of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Total number of Hydrogens of the atom.
+    :rtype: int
+    """
+    total_num_h = d["rdmol_atom"].GetTotalNumHs()
+    d["total_num_h"] = total_num_h
+    return total_num_h
+
+
+def num_radical_electrons(n: str, d: Dict[str, Any]) -> int:
+    """Adds the number of radical electrons of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Number of radical electrons of the atom.
+    :rtype: int
+    """
+    num_radical_electrons = d["rdmol_atom"].GetNumRadicalElectrons()
+    d["num_radical_electrons"] = num_radical_electrons
+    return num_radical_electrons
+
+
+def formal_charge(n: str, d: Dict[str, Any]) -> int:
+    """Adds the formal charge of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Formal charge of the atom.
+    :rtype: int
+    """
+    formal_charge = d["rdmol_atom"].GetFormalCharge()
+    d["formal_charge"] = formal_charge
+    return formal_charge
+
+
+def hybridization(
+    n: str, d: Dict[str, Any]
+) -> rdkit.Chem.rdchem.HybridizationType:
+    """Adds the hybridization of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Hybridization of the atom.
+    :rtype: rdkit.Chem.rdchem.HybridizationType
+    """
+    hybridization = d["rdmol_atom"].GetHybridization()
+    d["hybridization"] = hybridization
+    return hybridization
+
+
+def is_aromatic(n: str, d: Dict[str, Any]) -> bool:
+    """Adds indicator of aromaticity of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Indicator of aromaticity of the atom.
+    :rtype: bool
+    """
+    aromatic = d["rdmol_atom"].GetIsAromatic()
+    d["is_aromatic"] = aromatic
+    return aromatic
+
+
+def is_ring(n: str, d: Dict[str, Any]) -> bool:
+    """Adds indicator of ring membership of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Indicator of ring membership of the atom.
+    :rtype: bool
+    """
+    ring = d["rdmol_atom"].IsInRing()
+    d["is_ring"] = ring
+    return ring
+
+
+def is_ring_size(n: str, d: Dict[str, Any], ring_size: int) -> bool:
+    """Adds indicator of ring membership of size ``ring_size`` of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data.
+    :type d: Dict[str, Any]
+    :param ring_size: The size of the ring to look for.
+    :type ring_size: int
+    :return: Indicator of ring membership of size ``ring_size`` of the atom.
+    :rtype: bool
+    """
+    ring = d["rdmol_atom"].IsInRingSize(size=ring_size)
+    d[f"is_ring_{ring_size}"] = ring
+    return ring
+
+
+def is_isotope(n: str, d: Dict[str, Any]) -> int:
+    """Adds indicator of whether or not the atom is an isotope to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Indicator of whether or not the atom is an isotope.
+    :rtype: int
+    """
+    is_isotope = d["rdmol_atom"].GetIsotope()
+    d["is_isotope"] = is_isotope
+    return is_isotope
+
+
+def atomic_mass(n: str, d: Dict[str, Any]) -> float:
+    """Adds mass of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Mass of the atom.
+    :rtype: float
+    """
+    mass = d["rdmol_atom"].GetMass()
+    d["mass"] = mass
+    return mass
+
+
+def chiral_tag(n: str, d: Dict[str, Any]) -> rdkit.Chem.rdchem.ChiralType:
+    """Adds indicator of atom chirality to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Indicator of atom chirality.
+    :rtype: rdkit.Chem.rdchem.ChiralType
+    """
+    tag = d["rdmol_atom"].GetChiralTag()
+    d["chiral_tag"] = tag
+    return tag

From a1cdce52beeb295370b09de394c7ceeabf48057b Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Thu, 14 Apr 2022 18:51:15 +0100
Subject: [PATCH 09/51] additional vocabularies to atoms

---
 graphein/molecule/atoms.py | 94 ++++++++++++++++++++++++++++++++++----
 1 file changed, 86 insertions(+), 8 deletions(-)

diff --git a/graphein/molecule/atoms.py b/graphein/molecule/atoms.py
index 5ea812ce7..d2c956585 100644
--- a/graphein/molecule/atoms.py
+++ b/graphein/molecule/atoms.py
@@ -1,23 +1,19 @@
 """
 Author: Eric J. Ma, Arian Jamasb
-Purpose: This is a set of utility variables and functions that can be used
+Purpose: This is a set of utility variables and functions related to small molecules that can be used
 across the Graphein project.
 
-These include various collections of standard & non-standard/modified amino acids and their names, identifiers and properties.
-
-We also include mappings of covalent radii and bond lengths for the amino acids used in assembling atomic protein graphs.
+These include various collections of standard atom types used molecule-focussed ML
 """
 # Graphein
 # Author: Eric J. Ma, Arian Jamasb <arian@jamasb.io>
 # License: MIT
 # Project Website: https://github.com/a-r-j/graphein
 # Code Repository: https://github.com/a-r-j/graphein
-
+from __future__ import annotations
 
 from typing import Dict, List
 
-import numpy as np
-
 BASE_ATOMS: List[str] = [
     "C",
     "H",
@@ -31,4 +27,86 @@
     "I",
     "B",
 ]
-"""Vocabulary of 11 standard atom types."""
\ No newline at end of file
+"""Vocabulary of 11 standard atom types."""
+
+EXTENDED_ATOMS = [
+    "C",
+    "N",
+    "O",
+    "S",
+    "F",
+    "Si",
+    "P",
+    "Cl",
+    "Br",
+    "Mg",
+    "Na",
+    "Ca",
+    "Fe",
+    "As",
+    "Al",
+    "I",
+    "B",
+    "V",
+    "K",
+    "Tl",
+    "Yb",
+    "Sb",
+    "Sn",
+    "Ag",
+    "Pd",
+    "Co",
+    "Se",
+    "Ti",
+    "Zn",
+    "H",
+    "Li",
+    "Ge",
+    "Cu",
+    "Au",
+    "Ni",
+    "Cd",
+    "In",
+    "Mn",
+    "Zr",
+    "Cr",
+    "Pt",
+    "Hg",
+    "Pb",
+    "Unknown",
+]
+"""Vocabulary of additional atom types."""
+
+ALLOWED_DEGREES: List[int] = [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
+"""Vocabulary of allowed atom degrees."""
+
+ALLOWED_VALENCES: List[int] = [0, 1, 2, 3, 4, 5, 6]
+"""Vocabulary of allowed atom valences."""
+
+ALLOWED_HYBRIDIZATIONS = [
+    Chem.rdchem.HybridizationType.SP,
+    Chem.rdchem.HybridizationType.SP2,
+    Chem.rdchem.HybridizationType.SP3,
+    Chem.rdchem.HybridizationType.SP3D,
+    Chem.rdchem.HybridizationType.SP3D2,
+]
+"""Vocabulary of allowed hybridizations."""
+
+ALLOWED_NUM_H: List[int] = [0, 1, 2, 3, 4]
+"""Vocabulary of allowed number of Hydrogens."""
+
+ALLOWED_BOND_TYPES: List[Chem.BondType] = [
+    Chem.BondType.SINGLE,
+    Chem.BondType.DOUBLE,
+    Chem.BondType.TRIPLE,
+    Chem.BondType.AROMATIC,
+]
+"""Vocabulary of allowed bondtypes."""
+
+BONDTYPE_TO_CHANNEL: Dict[Chem.BondType, int] = {
+    Chem.BondType.SINGLE: 0,
+    Chem.BondType.DOUBLE: 1,
+    Chem.BondType.TRIPLE: 2,
+    Chem.BondType.AROMATIC: 3,
+}
+"""Mapping of bondtypes to integer values."""

From 9a529567ddd783598cb2301bcb0869566b860c43 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 15:07:20 +0100
Subject: [PATCH 10/51] add more RDKit constants

---
 graphein/molecule/atoms.py | 98 +++++++++++++++++++++++++++++++++++++-
 1 file changed, 97 insertions(+), 1 deletion(-)

diff --git a/graphein/molecule/atoms.py b/graphein/molecule/atoms.py
index d2c956585..1fa608111 100644
--- a/graphein/molecule/atoms.py
+++ b/graphein/molecule/atoms.py
@@ -14,6 +14,14 @@
 
 from typing import Dict, List
 
+from graphein.utils.utils import import_message
+
+try:
+    import rdkit.Chem as Chem
+except ImportError:
+    import_message("graphein.molecule.atoms", "rdkit", "rdkit", True)
+
+
 BASE_ATOMS: List[str] = [
     "C",
     "H",
@@ -103,10 +111,98 @@
 ]
 """Vocabulary of allowed bondtypes."""
 
-BONDTYPE_TO_CHANNEL: Dict[Chem.BondType, int] = {
+ALLOWED_BOND_TYPE_TO_CHANNEL: Dict[Chem.BondType, int] = {
     Chem.BondType.SINGLE: 0,
     Chem.BondType.DOUBLE: 1,
     Chem.BondType.TRIPLE: 2,
     Chem.BondType.AROMATIC: 3,
 }
 """Mapping of bondtypes to integer values."""
+
+
+ALL_BOND_TYPES: List[Chem.BondType] = [
+    Chem.BondType.AROMATIC,
+    Chem.BondType.DATIVE,
+    Chem.BondType.DATIVEL,
+    Chem.BondType.DATIVER,
+    Chem.BondType.DOUBLE,
+    Chem.BondType.FIVEANDHALF,
+    Chem.BondType.FOURANDHALF,
+    Chem.BondType.HEXTUPLE,
+    Chem.BondType.HYDROGEN,
+    Chem.BondType.IONIC,
+    Chem.BondType.ONEANDHALF,
+    Chem.BondType.OTHER,
+    Chem.BondType.QUADRUPLE,
+    Chem.BondType.QUINTUPLE,
+    Chem.BondType.SINGLE,
+    Chem.BondType.THREEANDHALF,
+    Chem.BondType.THREECENTER,
+    Chem.BondType.TRIPLE,
+    Chem.BondType.TWOANDHALF,
+    Chem.BondType.UNSPECIFIED,
+    Chem.BondType.ZERO,
+]
+"""Vocabulary of all RDkit BondTypes."""
+
+
+ALL_BOND_TYPES_TO_CHANNEL: Dict[Chem.BondType, int] = {
+    Chem.BondType.AROMATIC: 0,
+    Chem.BondType.DATIVE: 1,
+    Chem.BondType.DATIVEL: 2,
+    Chem.BondType.DATIVER: 3,
+    Chem.BondType.DOUBLE: 4,
+    Chem.BondType.FIVEANDHALF: 5,
+    Chem.BondType.FOURANDHALF: 6,
+    Chem.BondType.HEXTUPLE: 7,
+    Chem.BondType.HYDROGEN: 8,
+    Chem.BondType.IONIC: 9,
+    Chem.BondType.ONEANDHALF: 10,
+    Chem.BondType.OTHER: 11,
+    Chem.BondType.QUADRUPLE: 12,
+    Chem.BondType.QUINTUPLE: 13,
+    Chem.BondType.SINGLE: 14,
+    Chem.BondType.THREEANDHALF: 15,
+    Chem.BondType.THREECENTER: 16,
+    Chem.BondType.TRIPLE: 17,
+    Chem.BondType.TWOANDHALF: 18,
+    Chem.BondType.UNSPECIFIED: 19,
+    Chem.BondType.ZERO: 20,
+}
+"""Vocabulary of all RDkit BondTypes mapped to integer values."""
+
+ALL_STEREO_TYPES: List[Chem.rdchem.BondStereo] = [
+    Chem.rdchem.BondStereo.STEREOANY,
+    Chem.rdchem.BondStereo.STEREOCIS,
+    Chem.rdchem.BondStereo.STEREOE,
+    Chem.rdchem.BondStereo.STEREONONE,
+    Chem.rdchem.BondStereo.STEREOTRANS,
+    Chem.rdchem.BondStereo.STEREOZ,
+]
+"""Vocabulary of all RDKit bond stereo types."""
+
+ALL_STEREO_TO_CHANNEL: Dict[Chem.rdchem.BondStereo, int] = {
+    Chem.rdchem.BondStereo.STEREOANY: 0,
+    Chem.rdchem.BondStereo.STEREOCIS: 1,
+    Chem.rdchem.BondStereo.STEREOE: 2,
+    Chem.rdchem.BondStereo.STEREONONE: 3,
+    Chem.rdchem.BondStereo.STEREOTRANS: 4,
+    Chem.rdchem.BondStereo.STEREOZ: 5,
+}
+"""Vocabulary of all RDKit bond stereo types mapped to integer values."""
+
+CHIRAL_TYPE: List[Chem.rdchem.ChiralType] = [
+    Chem.ChiralType.CHI_OTHER,
+    Chem.ChiralType.CHI_TETRAHEDRAL_CCW,
+    Chem.ChiralType.CHI_TETRAHEDRAL_CW,
+    Chem.ChiralType.CHI_UNSPECIFIED,
+]
+"""Vocabulary of all RDKit chiral types."""
+
+CHIRAL_TYPE_TO_CHANNEL: Dict[Chem.rdchem.ChiralType] = {
+    Chem.ChiralType.CHI_OTHER: 0,
+    Chem.ChiralType.CHI_TETRAHEDRAL_CCW: 1,
+    Chem.ChiralType.CHI_TETRAHEDRAL_CW: 2,
+    Chem.ChiralType.CHI_UNSPECIFIED: 3,
+}
+"""Vocabulary of all RDKit chiral types mapped to integer values."""

From d2ae675233581f4228a8a97581c6bf361c19a2d8 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 15:13:18 +0100
Subject: [PATCH 11/51] refactor config matching utils to reduce duplication

---
 graphein/molecule/config.py | 48 +++++++++----------------------------
 graphein/protein/config.py  | 35 +--------------------------
 graphein/utils/config.py    | 36 ++++++++++++++++++++++++++++
 3 files changed, 48 insertions(+), 71 deletions(-)

diff --git a/graphein/molecule/config.py b/graphein/molecule/config.py
index 3203b870f..192715ad2 100644
--- a/graphein/molecule/config.py
+++ b/graphein/molecule/config.py
@@ -11,15 +11,17 @@
 from typing import Any, Callable, List, Optional, Union
 
 from deepdiff import DeepDiff
-from deepdiff.operator import BaseOperator
 from pydantic import BaseModel
 from typing_extensions import Literal
 
 from graphein.molecule.edges.atomic import add_atom_bonds
-
-from graphein.molecule.edges.distance import add_k_nn_edges, add_distance_threshold, add_fully_connected_edges
-
+from graphein.molecule.edges.distance import (
+    add_distance_threshold,
+    add_fully_connected_edges,
+    add_k_nn_edges,
+)
 from graphein.molecule.features.nodes.atom_type import atom_type_one_hot
+from graphein.utils.config import PartialMatchOperator, PathMatchOperator
 
 GraphAtoms = Literal[
     "C",
@@ -36,37 +38,6 @@
 ]
 """Allowable atom types for nodes in the graph."""
 
-def partial_functions_equal(func1: partial, func2: partial) -> bool:
-    """
-    Determine whether two partial functions are equal.
-
-    :param func1: Partial function to check
-    :type func1: partial
-    :param func2: Partial function to check
-    :type func2: partial
-    :return: Whether the two functions are equal
-    :rtype: bool
-    """
-    if not (isinstance(func1, partial) and isinstance(func2, partial)):
-        return False
-    return all(
-        getattr(func1, attr) == getattr(func2, attr)
-        for attr in ["func", "args", "keywords"]
-    )
-
-
-class PartialMatchOperator(BaseOperator):
-    """Custom operator for deepdiff comparison. This operator compares whether the two partials are equal."""
-
-    def give_up_diffing(self, level, diff_instance):
-        return partial_functions_equal(level.t1, level.t2)
-
-
-class PathMatchOperator(BaseOperator):
-    """Custom operator for deepdiff comparison. This operator compares whether the two pathlib Paths are equal."""
-
-    def give_up_diffing(self, level, diff_instance):
-        return level.t1 == level.t2
 
 class MoleculeGraphConfig(BaseModel):
     """
@@ -92,7 +63,10 @@ class MoleculeGraphConfig(BaseModel):
     deprotonate: bool = False
     # Graph construction functions
     edge_construction_functions: List[Union[Callable, str]] = [
-        add_fully_connected_edges, add_k_nn_edges, add_distance_threshold, add_atom_bonds
+        add_fully_connected_edges,
+        add_k_nn_edges,
+        add_distance_threshold,
+        add_atom_bonds,
     ]
     node_metadata_functions: Optional[List[Union[Callable, str]]] = [
         atom_type_one_hot
@@ -114,4 +88,4 @@ def __eq__(self, other: Any) -> bool:
                 )
                 == {}
             )
-        return self.dict() == other
\ No newline at end of file
+        return self.dict() == other
diff --git a/graphein/protein/config.py b/graphein/protein/config.py
index 94b432da3..1212c78bb 100644
--- a/graphein/protein/config.py
+++ b/graphein/protein/config.py
@@ -11,45 +11,12 @@
 from typing import Any, Callable, List, Optional, Union
 
 from deepdiff import DeepDiff
-from deepdiff.operator import BaseOperator
 from pydantic import BaseModel
 from typing_extensions import Literal
 
 from graphein.protein.edges.distance import add_peptide_bonds
 from graphein.protein.features.nodes.amino_acid import meiler_embedding
-
-
-def partial_functions_equal(func1: partial, func2: partial) -> bool:
-    """
-    Determine whether two partial functions are equal.
-
-    :param func1: Partial function to check
-    :type func1: partial
-    :param func2: Partial function to check
-    :type func2: partial
-    :return: Whether the two functions are equal
-    :rtype: bool
-    """
-    if not (isinstance(func1, partial) and isinstance(func2, partial)):
-        return False
-    return all(
-        getattr(func1, attr) == getattr(func2, attr)
-        for attr in ["func", "args", "keywords"]
-    )
-
-
-class PartialMatchOperator(BaseOperator):
-    """Custom operator for deepdiff comparison. This operator compares whether the two partials are equal."""
-
-    def give_up_diffing(self, level, diff_instance):
-        return partial_functions_equal(level.t1, level.t2)
-
-
-class PathMatchOperator(BaseOperator):
-    """Custom operator for deepdiff comparison. This operator compares whether the two pathlib Paths are equal."""
-
-    def give_up_diffing(self, level, diff_instance):
-        return level.t1 == level.t2
+from graphein.utils.config import PartialMatchOperator, PathMatchOperator
 
 
 class DSSPConfig(BaseModel):
diff --git a/graphein/utils/config.py b/graphein/utils/config.py
index 5c67b516f..51af825be 100644
--- a/graphein/utils/config.py
+++ b/graphein/utils/config.py
@@ -4,6 +4,7 @@
 from typing import Callable, Union
 
 import yaml
+from deepdiff.operator import BaseOperator
 from pydantic import BaseModel
 
 from graphein.grn.config import GRNGraphConfig, RegNetworkConfig, TRRUSTConfig
@@ -91,3 +92,38 @@ def parse_config(path: Path) -> BaseModel:
     with open(path, "rb") as f:
         yml_config = yaml.load(f, Loader=get_loader())
     return yml_config
+
+
+def partial_functions_equal(func1: partial, func2: partial) -> bool:
+    """
+    Determine whether two partial functions are equal.
+
+    :param func1: Partial function to check
+    :type func1: partial
+    :param func2: Partial function to check
+    :type func2: partial
+    :return: Whether the two functions are equal
+    :rtype: bool
+    """
+    return (
+        all(
+            getattr(func1, attr) == getattr(func2, attr)
+            for attr in ["func", "args", "keywords"]
+        )
+        if (isinstance(func1, partial) and isinstance(func2, partial))
+        else False
+    )
+
+
+class PartialMatchOperator(BaseOperator):
+    """Custom operator for deepdiff comparison. This operator compares whether the two partials are equal."""
+
+    def give_up_diffing(self, level, diff_instance):
+        return partial_functions_equal(level.t1, level.t2)
+
+
+class PathMatchOperator(BaseOperator):
+    """Custom operator for deepdiff comparison. This operator compares whether the two pathlib Paths are equal."""
+
+    def give_up_diffing(self, level, diff_instance):
+        return level.t1 == level.t2

From 02227d99efcd992c4a0a3621fedb9f5b8045690f Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 15:19:05 +0100
Subject: [PATCH 12/51] add molecule graph config to yaml parser

---
 graphein/utils/config.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/graphein/utils/config.py b/graphein/utils/config.py
index 51af825be..6b556c0c6 100644
--- a/graphein/utils/config.py
+++ b/graphein/utils/config.py
@@ -8,6 +8,7 @@
 from pydantic import BaseModel
 
 from graphein.grn.config import GRNGraphConfig, RegNetworkConfig, TRRUSTConfig
+from graphein.molecule.config import MoleculeGraphConfig
 from graphein.ppi.config import BioGridConfig, PPIGraphConfig, STRINGConfig
 from graphein.protein.config import (
     DSSPConfig,
@@ -75,6 +76,7 @@ def get_loader() -> yaml.Loader:
         STRINGConfig.__name__,
         BioGridConfig.__name__,
         PPIGraphConfig.__name__,
+        MoleculeGraphConfig.__name__,
     ]
     for config in configs:
         loader.add_constructor(f"!{config}", config_constructor)

From b66c418f259adef1f1c87e4acc587b4c22a74a21 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 15:26:40 +0100
Subject: [PATCH 13/51] lint edge funcs

---
 graphein/molecule/edges/atomic.py   |  3 +-
 graphein/molecule/edges/distance.py | 46 +++++++++++------------------
 2 files changed, 20 insertions(+), 29 deletions(-)

diff --git a/graphein/molecule/edges/atomic.py b/graphein/molecule/edges/atomic.py
index 6e0a5ba22..bca553a6b 100644
--- a/graphein/molecule/edges/atomic.py
+++ b/graphein/molecule/edges/atomic.py
@@ -24,6 +24,7 @@ def add_atom_bonds(G: nx.Graph) -> nx.Graph:
         n1, n2 = bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()
         if G.has_edge(n1, n2):
             G.edges[n1, n2]["kind"].add("bond")
+            G.edges[n1, n2]["bond"] = bond
         else:
-            G.add_edge(n1, n2, kind={"bond"})
+            G.add_edge(n1, n2, kind={"bond"}, bond=bond)
     return G
diff --git a/graphein/molecule/edges/distance.py b/graphein/molecule/edges/distance.py
index 4a1cc725d..1c9145166 100644
--- a/graphein/molecule/edges/distance.py
+++ b/graphein/molecule/edges/distance.py
@@ -27,23 +27,21 @@ def compute_distmat(coords: np.ndarray) -> np.ndarray:
     Design choice: passed in a DataFrame to enable easier testing on
     dummy data.
 
-    :param coords: pd.Dataframe containing molecule structure. Must contain columns ["x_coord", "y_coord", "z_coord"]
+    :param coords: pd.Dataframe containing molecule structure. Must contain columns ``["x_coord", "y_coord", "z_coord"]``.
     :type coords: pd.DataFrame
-    :return: pd.Dataframe of euclidean distance matrix
-    :rtype: pd.DataFrame
+    :return: np.ndarray of euclidean distance matrix.
+    :rtype: np.ndarray
     """
     return pairwise_distances(coords, metric="euclidean")
 
 
-def get_interacting_atoms(
-    angstroms: float, distmat: pd.DataFrame
-) -> np.ndarray:
+def get_interacting_atoms(angstroms: float, distmat: np.ndarray) -> np.ndarray:
     """Find the atoms that are within a particular radius of one another.
 
-    :param angstroms: radius in angstroms
+    :param angstroms: Radius in angstroms.
     :type angstroms: float
-    :param distmat: distance matrix
-    :type distmat: pd.DataFrame
+    :param distmat: Distance matrix.
+    :type distmat: np.ndarray
     :returns: Array of interacting atoms
     :rtype: np.ndarray
     """
@@ -52,8 +50,7 @@ def get_interacting_atoms(
 
 def add_distance_threshold(G: nx.Graph, threshold: float = 5.0):
     """
-    Adds edges to any nodes within a given distance of each other. Long interaction threshold is used
-    to specify minimum separation in sequence to add an edge between networkx nodes within the distance threshold
+    Adds edges to any nodes within a given distance of each other.
 
     :param G: molecule structure graph to add distance edges to
     :type G: nx.Graph
@@ -66,29 +63,24 @@ def add_distance_threshold(G: nx.Graph, threshold: float = 5.0):
     interacting_nodes = get_interacting_atoms(threshold, distmat=dist_mat)
     interacting_nodes = list(zip(interacting_nodes[0], interacting_nodes[1]))
 
-    log.info(f"Found: {len(interacting_nodes)} distance edges")
-    count = 0
-    for a1, a2 in interacting_nodes:
-        n1 = a1
-        n2 = a2
-        count += 1
+    log.info(
+        f"Found: {len(interacting_nodes)} distance edges for radius {threshold}"
+    )
+    for n1, n2 in interacting_nodes:
         if G.has_edge(n1, n2):
             G.edges[n1, n2]["kind"].add("distance_threshold")
         else:
             G.add_edge(n1, n2, kind={"distance_threshold"})
-    log.info(
-        f"Added {count} distance edges. ({len(list(interacting_nodes)) - count} removed by LIN)"
-    )
 
 
-def add_fully_connected_edges(G: nx.Graph,):
+def add_fully_connected_edges(
+    G: nx.Graph,
+):
     """
     Adds fully connected edges to nodes.
 
     :param G: Molecule structure graph to add distance edges to.
     :type G: nx.Graph
-    :return: Graph with fully connected edges added.
-    :rtype: nx.Graph
     """
     length = len(G.graph["coords"])
 
@@ -146,10 +138,8 @@ def add_k_nn_edges(
     incoming = nn.indices
     interacting_nodes = list(zip(outgoing, incoming))
     log.info(f"Found: {len(interacting_nodes)} KNN edges")
-    for a1, a2 in interacting_nodes:
-        n1 = a1
-        n2 = a2
+    for n1, n2 in interacting_nodes:
         if G.has_edge(n1, n2):
-            G.edges[n1, n2]["kind"].add("k_nn")
+            G.edges[n1, n2]["kind"].add(f"k_nn_{k}")
         else:
-            G.add_edge(n1, n2, kind={"k_nn"})
+            G.add_edge(n1, n2, kind={f"k_nn_{k}"})

From e3fe2c5ad67392d2910bf7824f1945ede50d10e6 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 15:28:42 +0100
Subject: [PATCH 14/51] add bond-based edge feature funcs

---
 graphein/molecule/features/edges/__init__.py |   1 +
 graphein/molecule/features/edges/bonds.py    | 146 +++++++++++++++++++
 2 files changed, 147 insertions(+)
 create mode 100644 graphein/molecule/features/edges/__init__.py
 create mode 100644 graphein/molecule/features/edges/bonds.py

diff --git a/graphein/molecule/features/edges/__init__.py b/graphein/molecule/features/edges/__init__.py
new file mode 100644
index 000000000..03642e92d
--- /dev/null
+++ b/graphein/molecule/features/edges/__init__.py
@@ -0,0 +1 @@
+from .bonds import *
diff --git a/graphein/molecule/features/edges/bonds.py b/graphein/molecule/features/edges/bonds.py
new file mode 100644
index 000000000..5af23db4e
--- /dev/null
+++ b/graphein/molecule/features/edges/bonds.py
@@ -0,0 +1,146 @@
+"""Functions for computing atomic features for molecules."""
+# %%
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+
+import logging
+from typing import Any, Dict
+
+log = logging.getLogger(__name__)
+
+
+def add_bond_type(
+    u: str, v: str, d: Dict[str, Any]
+) -> rdkit.Chem.rdchem.BondType:
+    """Adds bond type as an edge feature to the graph.
+
+    :param u: First node in the edge.
+    :type u: str
+    :param v: Second node in the edge.
+    :type v: str
+    :param d: Dictionary of edge metadata.
+    :type d: Dict[str, Any]
+    :return: Returns the bond type.
+    :rtype: rdkit.Chem.rdchem.BondType
+    """
+    if "bond" not in d.keys():
+        log.debug(f"No RDKit bond found on edge {u}-{v}")
+        d["bond_type"] = None
+        return None
+    bond_type = d["bond"].GetBondType()
+    d["bond_type"] = bond_type
+    return bond_type
+
+
+def bond_is_aromatic(u: str, v: str, d: Dict[str, Any]) -> bool:
+    """Adds indicator of aromaticity of a bond to the graph as an edge feature.
+
+    :param u: First node in the edge.
+    :type u: str
+    :param v: Second node in the edge.
+    :type v: str
+    :param d: Dictionary of edge metadata.
+    :type d: Dict[str, Any]
+    :return: Returns indicator of aromaticity of bond.
+    :rtype: bool
+    """
+    if "bond" not in d.keys():
+        log.debug(f"No RDKit bond found on edge {u}-{v}")
+        d["aromatic"] = None
+        return None
+    bond_is_aromatic = d["bond"].GetIsAromatic()
+    d["_aromatic"] = bond_is_aromatic
+    return bond_is_aromatic
+
+
+def bond_is_conjugated(u: str, v: str, d: Dict[str, Any]) -> bool:
+    """Adds indicator of conjugated bond to the graph as an edge feature.
+
+    :param u: First node in the edge.
+    :type u: str
+    :param v: Second node in the edge.
+    :type v: str
+    :param d: Dictionary of edge metadata.
+    :type d: Dict[str, Any]
+    :return: Returns indicator of conjugated bond.
+    :rtype: bool
+    """
+    if "bond" not in d.keys():
+        log.debug(f"No RDKit bond found on edge {u}-{v}")
+        d["conjugated"] = None
+        return None
+    bond_is_conjugated = d["bond"].GetIsConjugated()
+    d["conjugated"] = bond_is_conjugated
+    return bond_is_conjugated
+
+
+def bond_is_in_ring(u: str, v: str, d: Dict[str, Any]) -> bool:
+    """Adds indicator of ring membership to the graph as an edge feature.
+
+    :param u: First node in the edge.
+    :type u: str
+    :param v: Second node in the edge.
+    :type v: str
+    :param d: Dictionary of edge metadata.
+    :type d: Dict[str, Any]
+    :return: Returns indicator of ring membership of bond.
+    :rtype: bool
+    """
+    if "bond" not in d.keys():
+        log.debug(f"No RDKit bond found on edge {u}-{v}")
+        d["ring"] = None
+        return None
+    bond_is_in_ring = d["bond"].IsInRing()
+    d["ring"] = bond_is_in_ring
+    return bond_is_in_ring
+
+
+def bond_is_in_ring_size(
+    u: str, v: str, d: Dict[str, Any], ring_size: int
+) -> int:
+    """Adds indicator of ring membership of size ``ring_size`` to the graph as an edge feature.
+
+    :param u: First node in the edge.
+    :type u: str
+    :param v: Second node in the edge.
+    :type v: str
+    :param d: Dictionary of edge metadata.
+    :type d: Dict[str, Any]
+    :param ring_size: Size of the ring to look for
+    :type ring_size: int
+    :return: Returns ring size of bond.
+    :rtype: int
+    """
+    if "bond" not in d.keys():
+        log.debug(f"No RDKit bond found on edge {u}-{v}")
+        d[f"ring_size_{ring_size}"] = None
+        return None
+    bond_is_in_ring = d["bond"].IsInRing()
+    d[f"ring_size_{ring_size}"] = bond_is_in_ring
+    return bond_is_in_ring
+
+
+def bond_stereo(
+    u: str, v: str, d: Dict[str, Any]
+) -> rdkit.Chem.rdchem.BondStereo:
+    """Adds bond stereo configuration as an edge feature to the graph.
+
+    :param u: First node in the edge.
+    :type u: str
+    :param v: Second node in the edge.
+    :type v: str
+    :param d: Dictionary of edge metadata.
+    :type d: Dict[str, Any]
+    :return: Returns the bond stereo.
+    :rtype: rdkit.Chem.rdchem.BondStereo
+    """
+    if "bond" not in d.keys():
+        log.debug(f"No RDKit bond found on edge {u}-{v}")
+        d["bond_stereo"] = None
+        return None
+    bond_stereo = d["bond"].GetStereo()
+    d["bond_stereo"] = bond_stereo
+    return bond_stereo

From 1d657c5566e9f973dee1ab5ac787dd6776bbb0d6 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 15:38:34 +0100
Subject: [PATCH 15/51] add additional Rdkit node features

---
 graphein/molecule/features/nodes/__init__.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/graphein/molecule/features/nodes/__init__.py b/graphein/molecule/features/nodes/__init__.py
index b6aaaa0c4..d4bfe6c89 100644
--- a/graphein/molecule/features/nodes/__init__.py
+++ b/graphein/molecule/features/nodes/__init__.py
@@ -1 +1 @@
-from .atom_type import *
\ No newline at end of file
+from .atom_type import *

From e5a47e119bd3e4f3470119b65f620ea056a1cbac Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 15:40:20 +0100
Subject: [PATCH 16/51] add feature __init__

---
 graphein/molecule/features/__init__.py | 2 ++
 1 file changed, 2 insertions(+)
 create mode 100644 graphein/molecule/features/__init__.py

diff --git a/graphein/molecule/features/__init__.py b/graphein/molecule/features/__init__.py
new file mode 100644
index 000000000..c7b1d7bca
--- /dev/null
+++ b/graphein/molecule/features/__init__.py
@@ -0,0 +1,2 @@
+from .edges import *
+from .nodes import *

From 88fdd88f8c4515ac103fce90d2602c5d1121ea19 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 15:41:17 +0100
Subject: [PATCH 17/51] add molecule __init__

---
 graphein/molecule/__init__.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/graphein/molecule/__init__.py b/graphein/molecule/__init__.py
index a63a80b19..30cd1d32c 100644
--- a/graphein/molecule/__init__.py
+++ b/graphein/molecule/__init__.py
@@ -1,5 +1,5 @@
+from .atoms import *
 from .config import *
 from .edges import *
 from .features import *
-from .atoms import *
 from .graphs import *

From be1b30ce5d962d0e26ccad8fbc356bd23cdf7b4d Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 15:42:05 +0100
Subject: [PATCH 18/51] lint graphs

---
 graphein/molecule/graphs.py | 37 ++++++++++++++++++++++++++++---------
 1 file changed, 28 insertions(+), 9 deletions(-)

diff --git a/graphein/molecule/graphs.py b/graphein/molecule/graphs.py
index 49868954c..f67571d26 100644
--- a/graphein/molecule/graphs.py
+++ b/graphein/molecule/graphs.py
@@ -7,7 +7,7 @@
 # Code Repository: https://github.com/a-r-j/graphein
 from __future__ import annotations
 
-from typing import Any, Callable, Dict, List, Optional
+from typing import Callable, List, Optional
 
 import networkx as nx
 import numpy as np
@@ -31,7 +31,8 @@
 
 
 def initialise_graph_with_metadata(
-    rdmol: rdkit.Mol, coords: np.ndarray,
+    rdmol: rdkit.Mol,
+    coords: np.ndarray,
 ) -> nx.Graph:
     """
     Initializes the nx Graph object with initial metadata.
@@ -41,10 +42,16 @@ def initialise_graph_with_metadata(
     :return: Returns initial molecule structure graph with metadata.
     :rtype: nx.Graph
     """
-    return nx.Graph(rdmol=rdmol, coords=coords,)
+    return nx.Graph(
+        rdmol=rdmol,
+        coords=coords,
+    )
 
 
-def add_nodes_to_graph(G: nx.Graph, verbose: bool = False,) -> nx.Graph:
+def add_nodes_to_graph(
+    G: nx.Graph,
+    verbose: bool = False,
+) -> nx.Graph:
     """Add nodes into molecule graph.
 
     :param G: ``nx.Graph`` with metadata to populate with nodes.
@@ -55,7 +62,12 @@ def add_nodes_to_graph(G: nx.Graph, verbose: bool = False,) -> nx.Graph:
     :rtype: nx.Graph
     """
     for atom in G.graph["rdmol"].GetAtoms():
-        G.add_node(atom.GetIdx(), atomic_num=atom.GetAtomicNum())
+        G.add_node(
+            atom.GetIdx(),
+            atomic_num=atom.GetAtomicNum(),
+            element=atom.GetSymbol(),
+            rdmol_atom=atom,
+        )
 
     if verbose:
         print(nx.info(G))
@@ -76,7 +88,7 @@ def construct_graph(
     graph_annotation_funcs: Optional[List[Callable]] = None,
 ) -> nx.Graph:
     """
-    Constructs protein structure graph from a ``sdf_path`` or ``smiles``.
+    Constructs protein structure graph from a ``sdf_path``, ``mol2_path``  or ``smiles``.
 
     Users can provide a :class:`~graphein.molecule.config.MoleculeGraphConfig`
     object to specify construction parameters.
@@ -158,7 +170,10 @@ def construct_graph(
     if coords is None:
         # If no coords are provided, add edges by bonds
         config.edge_construction_functions = [add_atom_bonds]
-        g = initialise_graph_with_metadata(rdmol=rdmol, coords=None,)
+        g = initialise_graph_with_metadata(
+            rdmol=rdmol,
+            coords=None,
+        )
     else:
         # If config params are provided, overwrite them
         config.edge_construction_functions = (
@@ -168,7 +183,8 @@ def construct_graph(
         )
 
         g = initialise_graph_with_metadata(
-            rdmol=rdmol, coords=np.asarray(coords),
+            rdmol=rdmol,
+            coords=np.asarray(coords),
         )
 
     # Add nodes to graph
@@ -182,7 +198,10 @@ def construct_graph(
         g = annotate_node_metadata(g, config.node_metadata_functions)
 
     # Compute graph edges
-    g = compute_edges(g, funcs=config.edge_construction_functions,)
+    g = compute_edges(
+        g,
+        funcs=config.edge_construction_functions,
+    )
 
     # Annotate additional graph metadata
     if config.graph_metadata_functions is not None:

From 9d1374aae89cd1d7aada9a9c240f5aeb129beb89 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 15:46:52 +0100
Subject: [PATCH 19/51] fix rdkit constants

---
 graphein/molecule/atoms.py | 128 ++++++++++++++++++-------------------
 1 file changed, 64 insertions(+), 64 deletions(-)

diff --git a/graphein/molecule/atoms.py b/graphein/molecule/atoms.py
index 1fa608111..ed64c5363 100644
--- a/graphein/molecule/atoms.py
+++ b/graphein/molecule/atoms.py
@@ -91,7 +91,7 @@
 ALLOWED_VALENCES: List[int] = [0, 1, 2, 3, 4, 5, 6]
 """Vocabulary of allowed atom valences."""
 
-ALLOWED_HYBRIDIZATIONS = [
+ALLOWED_HYBRIDIZATIONS: List[Chem.rdchem.HybridizationType] = [
     Chem.rdchem.HybridizationType.SP,
     Chem.rdchem.HybridizationType.SP2,
     Chem.rdchem.HybridizationType.SP3,
@@ -103,71 +103,71 @@
 ALLOWED_NUM_H: List[int] = [0, 1, 2, 3, 4]
 """Vocabulary of allowed number of Hydrogens."""
 
-ALLOWED_BOND_TYPES: List[Chem.BondType] = [
-    Chem.BondType.SINGLE,
-    Chem.BondType.DOUBLE,
-    Chem.BondType.TRIPLE,
-    Chem.BondType.AROMATIC,
+ALLOWED_BOND_TYPES: List[Chem.rdchem.BondType] = [
+    Chem.rdchem.BondType.SINGLE,
+    Chem.rdchem.BondType.DOUBLE,
+    Chem.rdchem.BondType.TRIPLE,
+    Chem.rdchem.BondType.AROMATIC,
 ]
 """Vocabulary of allowed bondtypes."""
 
-ALLOWED_BOND_TYPE_TO_CHANNEL: Dict[Chem.BondType, int] = {
-    Chem.BondType.SINGLE: 0,
-    Chem.BondType.DOUBLE: 1,
-    Chem.BondType.TRIPLE: 2,
-    Chem.BondType.AROMATIC: 3,
+ALLOWED_BOND_TYPE_TO_CHANNEL: Dict[Chem.rdchem.BondType, int] = {
+    Chem.rdchem.BondType.SINGLE: 0,
+    Chem.rdchem.BondType.DOUBLE: 1,
+    Chem.rdchem.BondType.TRIPLE: 2,
+    Chem.rdchem.BondType.AROMATIC: 3,
 }
 """Mapping of bondtypes to integer values."""
 
 
-ALL_BOND_TYPES: List[Chem.BondType] = [
-    Chem.BondType.AROMATIC,
-    Chem.BondType.DATIVE,
-    Chem.BondType.DATIVEL,
-    Chem.BondType.DATIVER,
-    Chem.BondType.DOUBLE,
-    Chem.BondType.FIVEANDHALF,
-    Chem.BondType.FOURANDHALF,
-    Chem.BondType.HEXTUPLE,
-    Chem.BondType.HYDROGEN,
-    Chem.BondType.IONIC,
-    Chem.BondType.ONEANDHALF,
-    Chem.BondType.OTHER,
-    Chem.BondType.QUADRUPLE,
-    Chem.BondType.QUINTUPLE,
-    Chem.BondType.SINGLE,
-    Chem.BondType.THREEANDHALF,
-    Chem.BondType.THREECENTER,
-    Chem.BondType.TRIPLE,
-    Chem.BondType.TWOANDHALF,
-    Chem.BondType.UNSPECIFIED,
-    Chem.BondType.ZERO,
+ALL_BOND_TYPES: List[Chem.rdchem.BondType] = [
+    Chem.rdchem.BondType.AROMATIC,
+    Chem.rdchem.BondType.DATIVE,
+    Chem.rdchem.BondType.DATIVEL,
+    Chem.rdchem.BondType.DATIVER,
+    Chem.rdchem.BondType.DOUBLE,
+    Chem.rdchem.BondType.FIVEANDHALF,
+    Chem.rdchem.BondType.FOURANDHALF,
+    Chem.rdchem.BondType.HEXTUPLE,
+    Chem.rdchem.BondType.HYDROGEN,
+    Chem.rdchem.BondType.IONIC,
+    Chem.rdchem.BondType.ONEANDHALF,
+    Chem.rdchem.BondType.OTHER,
+    Chem.rdchem.BondType.QUADRUPLE,
+    Chem.rdchem.BondType.QUINTUPLE,
+    Chem.rdchem.BondType.SINGLE,
+    Chem.rdchem.BondType.THREEANDHALF,
+    Chem.rdchem.BondType.THREECENTER,
+    Chem.rdchem.BondType.TRIPLE,
+    Chem.rdchem.BondType.TWOANDHALF,
+    Chem.rdchem.BondType.UNSPECIFIED,
+    Chem.rdchem.BondType.ZERO,
 ]
 """Vocabulary of all RDkit BondTypes."""
 
 
-ALL_BOND_TYPES_TO_CHANNEL: Dict[Chem.BondType, int] = {
-    Chem.BondType.AROMATIC: 0,
-    Chem.BondType.DATIVE: 1,
-    Chem.BondType.DATIVEL: 2,
-    Chem.BondType.DATIVER: 3,
-    Chem.BondType.DOUBLE: 4,
-    Chem.BondType.FIVEANDHALF: 5,
-    Chem.BondType.FOURANDHALF: 6,
-    Chem.BondType.HEXTUPLE: 7,
-    Chem.BondType.HYDROGEN: 8,
-    Chem.BondType.IONIC: 9,
-    Chem.BondType.ONEANDHALF: 10,
-    Chem.BondType.OTHER: 11,
-    Chem.BondType.QUADRUPLE: 12,
-    Chem.BondType.QUINTUPLE: 13,
-    Chem.BondType.SINGLE: 14,
-    Chem.BondType.THREEANDHALF: 15,
-    Chem.BondType.THREECENTER: 16,
-    Chem.BondType.TRIPLE: 17,
-    Chem.BondType.TWOANDHALF: 18,
-    Chem.BondType.UNSPECIFIED: 19,
-    Chem.BondType.ZERO: 20,
+ALL_BOND_TYPES_TO_CHANNEL: Dict[Chem.rdchem.BondType, int] = {
+    Chem.rdchem.BondType.AROMATIC: 0,
+    Chem.rdchem.BondType.DATIVE: 1,
+    Chem.rdchem.BondType.DATIVEL: 2,
+    Chem.rdchem.BondType.DATIVER: 3,
+    Chem.rdchem.BondType.DOUBLE: 4,
+    Chem.rdchem.BondType.FIVEANDHALF: 5,
+    Chem.rdchem.BondType.FOURANDHALF: 6,
+    Chem.rdchem.BondType.HEXTUPLE: 7,
+    Chem.rdchem.BondType.HYDROGEN: 8,
+    Chem.rdchem.BondType.IONIC: 9,
+    Chem.rdchem.BondType.ONEANDHALF: 10,
+    Chem.rdchem.BondType.OTHER: 11,
+    Chem.rdchem.BondType.QUADRUPLE: 12,
+    Chem.rdchem.BondType.QUINTUPLE: 13,
+    Chem.rdchem.BondType.SINGLE: 14,
+    Chem.rdchem.BondType.THREEANDHALF: 15,
+    Chem.rdchem.BondType.THREECENTER: 16,
+    Chem.rdchem.BondType.TRIPLE: 17,
+    Chem.rdchem.BondType.TWOANDHALF: 18,
+    Chem.rdchem.BondType.UNSPECIFIED: 19,
+    Chem.rdchem.BondType.ZERO: 20,
 }
 """Vocabulary of all RDkit BondTypes mapped to integer values."""
 
@@ -192,17 +192,17 @@
 """Vocabulary of all RDKit bond stereo types mapped to integer values."""
 
 CHIRAL_TYPE: List[Chem.rdchem.ChiralType] = [
-    Chem.ChiralType.CHI_OTHER,
-    Chem.ChiralType.CHI_TETRAHEDRAL_CCW,
-    Chem.ChiralType.CHI_TETRAHEDRAL_CW,
-    Chem.ChiralType.CHI_UNSPECIFIED,
+    Chem.rdchem.ChiralType.CHI_OTHER,
+    Chem.rdchem.ChiralType.CHI_TETRAHEDRAL_CCW,
+    Chem.rdchem.ChiralType.CHI_TETRAHEDRAL_CW,
+    Chem.rdchem.ChiralType.CHI_UNSPECIFIED,
 ]
 """Vocabulary of all RDKit chiral types."""
 
-CHIRAL_TYPE_TO_CHANNEL: Dict[Chem.rdchem.ChiralType] = {
-    Chem.ChiralType.CHI_OTHER: 0,
-    Chem.ChiralType.CHI_TETRAHEDRAL_CCW: 1,
-    Chem.ChiralType.CHI_TETRAHEDRAL_CW: 2,
-    Chem.ChiralType.CHI_UNSPECIFIED: 3,
+CHIRAL_TYPE_TO_CHANNEL: Dict[Chem.rdchem.ChiralType, int] = {
+    Chem.rdchhem.ChiralType.CHI_OTHER: 0,
+    Chem.rdchhem.ChiralType.CHI_TETRAHEDRAL_CCW: 1,
+    Chem.rdchhem.ChiralType.CHI_TETRAHEDRAL_CW: 2,
+    Chem.rdchhem.ChiralType.CHI_UNSPECIFIED: 3,
 }
 """Vocabulary of all RDKit chiral types mapped to integer values."""

From d2a4277c9487b0496093f6e2271b255ad74c5b35 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 15:51:34 +0100
Subject: [PATCH 20/51] add molecule module to docs

---
 docs/source/index.rst                     |  1 +
 docs/source/modules/graphein.molecule.rst | 44 +++++++++++++++++++++++
 2 files changed, 45 insertions(+)
 create mode 100644 docs/source/modules/graphein.molecule.rst

diff --git a/docs/source/index.rst b/docs/source/index.rst
index e8d4d26f9..d2e85622b 100644
--- a/docs/source/index.rst
+++ b/docs/source/index.rst
@@ -53,6 +53,7 @@ The repository can be found at `a-r-j/graphein <https://www.github.com/a-r-j/gra
    :caption: API Reference
 
    modules/graphein.protein
+   modules/graphein.molecule
    modules/graphein.rna
    modules/graphein.ppi
    modules/graphein.grn
diff --git a/docs/source/modules/graphein.molecule.rst b/docs/source/modules/graphein.molecule.rst
new file mode 100644
index 000000000..66cd96298
--- /dev/null
+++ b/docs/source/modules/graphein.molecule.rst
@@ -0,0 +1,44 @@
+graphein.molecule
+====================
+
+Config
+------
+.. automodule:: graphein.molecule.config
+    :members:
+
+Graphs
+------
+.. automodule:: graphein.molecule.graphs
+    :members:
+
+Edges
+------
+Distance
+^^^^^^^^^
+.. automodule:: graphein.molecule.edges.distance
+    :members:
+
+
+Atomic
+^^^^^^
+.. automodule:: graphein.molecule.edges.atomic
+    :members:
+
+
+Features
+---------
+Node
+^^^^^
+.. automodule:: graphein.molecule.features.nodes.atom_type
+    :members:
+
+Edge
+^^^^^^^^^^^^^^
+.. automodule:: graphein.molecule.features.edges.bonds
+    :members:
+
+
+Constants
+----------
+.. automodule:: graphein.molecule.atoms
+    :members:

From 0a167b884d612ef64ba5d6b8e943f5dcee0c9e7d Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 16:11:47 +0100
Subject: [PATCH 21/51] fix rdkit constants

---
 graphein/molecule/atoms.py | 28 ++++++++++++++--------------
 1 file changed, 14 insertions(+), 14 deletions(-)

diff --git a/graphein/molecule/atoms.py b/graphein/molecule/atoms.py
index ed64c5363..dfb841874 100644
--- a/graphein/molecule/atoms.py
+++ b/graphein/molecule/atoms.py
@@ -126,20 +126,20 @@
     Chem.rdchem.BondType.DATIVEL,
     Chem.rdchem.BondType.DATIVER,
     Chem.rdchem.BondType.DOUBLE,
-    Chem.rdchem.BondType.FIVEANDHALF,
-    Chem.rdchem.BondType.FOURANDHALF,
+    Chem.rdchem.BondType.FIVEANDAHALF,
+    Chem.rdchem.BondType.FOURANDAHALF,
     Chem.rdchem.BondType.HEXTUPLE,
     Chem.rdchem.BondType.HYDROGEN,
     Chem.rdchem.BondType.IONIC,
-    Chem.rdchem.BondType.ONEANDHALF,
+    Chem.rdchem.BondType.ONEANDAHALF,
     Chem.rdchem.BondType.OTHER,
     Chem.rdchem.BondType.QUADRUPLE,
     Chem.rdchem.BondType.QUINTUPLE,
     Chem.rdchem.BondType.SINGLE,
-    Chem.rdchem.BondType.THREEANDHALF,
+    Chem.rdchem.BondType.THREEANDAHALF,
     Chem.rdchem.BondType.THREECENTER,
     Chem.rdchem.BondType.TRIPLE,
-    Chem.rdchem.BondType.TWOANDHALF,
+    Chem.rdchem.BondType.TWOANDAHALF,
     Chem.rdchem.BondType.UNSPECIFIED,
     Chem.rdchem.BondType.ZERO,
 ]
@@ -152,20 +152,20 @@
     Chem.rdchem.BondType.DATIVEL: 2,
     Chem.rdchem.BondType.DATIVER: 3,
     Chem.rdchem.BondType.DOUBLE: 4,
-    Chem.rdchem.BondType.FIVEANDHALF: 5,
-    Chem.rdchem.BondType.FOURANDHALF: 6,
+    Chem.rdchem.BondType.FIVEANDAHALF: 5,
+    Chem.rdchem.BondType.FOURANDAHALF: 6,
     Chem.rdchem.BondType.HEXTUPLE: 7,
     Chem.rdchem.BondType.HYDROGEN: 8,
     Chem.rdchem.BondType.IONIC: 9,
-    Chem.rdchem.BondType.ONEANDHALF: 10,
+    Chem.rdchem.BondType.ONEANDAHALF: 10,
     Chem.rdchem.BondType.OTHER: 11,
     Chem.rdchem.BondType.QUADRUPLE: 12,
     Chem.rdchem.BondType.QUINTUPLE: 13,
     Chem.rdchem.BondType.SINGLE: 14,
-    Chem.rdchem.BondType.THREEANDHALF: 15,
+    Chem.rdchem.BondType.THREEANDAHALF: 15,
     Chem.rdchem.BondType.THREECENTER: 16,
     Chem.rdchem.BondType.TRIPLE: 17,
-    Chem.rdchem.BondType.TWOANDHALF: 18,
+    Chem.rdchem.BondType.TWOANDAHALF: 18,
     Chem.rdchem.BondType.UNSPECIFIED: 19,
     Chem.rdchem.BondType.ZERO: 20,
 }
@@ -200,9 +200,9 @@
 """Vocabulary of all RDKit chiral types."""
 
 CHIRAL_TYPE_TO_CHANNEL: Dict[Chem.rdchem.ChiralType, int] = {
-    Chem.rdchhem.ChiralType.CHI_OTHER: 0,
-    Chem.rdchhem.ChiralType.CHI_TETRAHEDRAL_CCW: 1,
-    Chem.rdchhem.ChiralType.CHI_TETRAHEDRAL_CW: 2,
-    Chem.rdchhem.ChiralType.CHI_UNSPECIFIED: 3,
+    Chem.rdchem.ChiralType.CHI_OTHER: 0,
+    Chem.rdchem.ChiralType.CHI_TETRAHEDRAL_CCW: 1,
+    Chem.rdchem.ChiralType.CHI_TETRAHEDRAL_CW: 2,
+    Chem.rdchem.ChiralType.CHI_UNSPECIFIED: 3,
 }
 """Vocabulary of all RDKit chiral types mapped to integer values."""

From 748cb1bda0c4551cd420bf116dff37ea72194304 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 16:12:31 +0100
Subject: [PATCH 22/51] fix rdkit type hint

---
 graphein/molecule/features/edges/bonds.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/graphein/molecule/features/edges/bonds.py b/graphein/molecule/features/edges/bonds.py
index 5af23db4e..f363ed7d7 100644
--- a/graphein/molecule/features/edges/bonds.py
+++ b/graphein/molecule/features/edges/bonds.py
@@ -5,6 +5,7 @@
 # License: MIT
 # Project Website: https://github.com/a-r-j/graphein
 # Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
 
 import logging
 from typing import Any, Dict

From d1e2bed3a722cd44d1be53550fb0f425d4b091c3 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 16:16:06 +0100
Subject: [PATCH 23/51] refactor config utils to prevent circular import

---
 graphein/cli.py                 |  2 +-
 graphein/utils/config.py        | 92 -------------------------------
 graphein/utils/config_parser.py | 95 +++++++++++++++++++++++++++++++++
 3 files changed, 96 insertions(+), 93 deletions(-)
 create mode 100644 graphein/utils/config_parser.py

diff --git a/graphein/cli.py b/graphein/cli.py
index cbfc71f02..8ade7a6a0 100644
--- a/graphein/cli.py
+++ b/graphein/cli.py
@@ -6,7 +6,7 @@
 
 from graphein import __version__
 from graphein.protein.graphs import construct_graph
-from graphein.utils.config import parse_config
+from graphein.utils.config_parser import parse_config
 
 
 @click.command()
diff --git a/graphein/utils/config.py b/graphein/utils/config.py
index 6b556c0c6..155531879 100644
--- a/graphein/utils/config.py
+++ b/graphein/utils/config.py
@@ -1,99 +1,7 @@
 """Yaml parser for config objects"""
 from functools import partial
-from pathlib import Path
-from typing import Callable, Union
 
-import yaml
 from deepdiff.operator import BaseOperator
-from pydantic import BaseModel
-
-from graphein.grn.config import GRNGraphConfig, RegNetworkConfig, TRRUSTConfig
-from graphein.molecule.config import MoleculeGraphConfig
-from graphein.ppi.config import BioGridConfig, PPIGraphConfig, STRINGConfig
-from graphein.protein.config import (
-    DSSPConfig,
-    GetContactsConfig,
-    ProteinGraphConfig,
-    ProteinMeshConfig,
-)
-
-
-def config_constructor(
-    loader: yaml.FullLoader, node: yaml.nodes.MappingNode
-) -> BaseModel:
-    """Construct a BaseModel config.
-
-    :param loader: Given yaml loader
-    :param type: yaml.FullLoader
-    :param loader: A mapping node
-    :param type: yaml.nodes.MappingNode
-    """
-    arg_map = loader.construct_mapping(node, deep=True) if node.value else {}
-    return eval(node.tag[1:])(**arg_map)
-
-
-def function_constructor(
-    loader: yaml.FullLoader,
-    tag_suffix: str,
-    node: Union[yaml.nodes.MappingNode, yaml.nodes.ScalarNode],
-) -> Callable:
-    """Construct a Callable. If function parameters are given, this returns a partial function.
-
-    :param loader: Given yaml loader
-    :param type: yaml.FullLoader
-    :param tag_suffix: The name after the !func: tag
-    :param type: str
-    :param loader: A mapping node if function parameters are given, a scalar node if not
-    :param type: Union[yaml.nodes.MappingNode, yaml.nodes.ScalarNode]
-    """
-    arg_map = None
-    if isinstance(node, yaml.nodes.MappingNode):
-        arg_map = (
-            loader.construct_mapping(node, deep=True) if node.value else {}
-        )
-        node = yaml.nodes.ScalarNode(
-            node.tag, "", node.start_mark, node.end_mark
-        )
-    func = loader.construct_python_name(tag_suffix, node)
-    if arg_map:
-        func = partial(func, **arg_map)
-    return func
-
-
-def get_loader() -> yaml.Loader:
-    """Add constructors to PyYAML loader."""
-    # For Python-specific tags, you can use full_load(), which resolves all tags except those known to be unsafe;
-    # this includes all the tags listed here: https://pyyaml.org/wiki/PyYAMLDocumentation#yaml-tags-and-python-types
-    loader = yaml.FullLoader
-    configs = [
-        ProteinGraphConfig.__name__,
-        DSSPConfig.__name__,
-        ProteinMeshConfig.__name__,
-        GetContactsConfig.__name__,
-        TRRUSTConfig.__name__,
-        RegNetworkConfig.__name__,
-        GRNGraphConfig.__name__,
-        STRINGConfig.__name__,
-        BioGridConfig.__name__,
-        PPIGraphConfig.__name__,
-        MoleculeGraphConfig.__name__,
-    ]
-    for config in configs:
-        loader.add_constructor(f"!{config}", config_constructor)
-    loader.add_multi_constructor("!func:", function_constructor)
-    return loader
-
-
-def parse_config(path: Path) -> BaseModel:
-    """
-    Parses a yaml configuration file into a config object.
-
-    :param path: Path to configuration file
-    :type path: pathlib.Path
-    """
-    with open(path, "rb") as f:
-        yml_config = yaml.load(f, Loader=get_loader())
-    return yml_config
 
 
 def partial_functions_equal(func1: partial, func2: partial) -> bool:
diff --git a/graphein/utils/config_parser.py b/graphein/utils/config_parser.py
new file mode 100644
index 000000000..6f270b22d
--- /dev/null
+++ b/graphein/utils/config_parser.py
@@ -0,0 +1,95 @@
+"""Yaml parser for config objects"""
+from functools import partial
+from pathlib import Path
+from typing import Callable, Union
+
+import yaml
+from pydantic import BaseModel
+
+from graphein.grn.config import GRNGraphConfig, RegNetworkConfig, TRRUSTConfig
+from graphein.molecule.config import MoleculeGraphConfig
+from graphein.ppi.config import BioGridConfig, PPIGraphConfig, STRINGConfig
+from graphein.protein.config import (
+    DSSPConfig,
+    GetContactsConfig,
+    ProteinGraphConfig,
+    ProteinMeshConfig,
+)
+
+
+def config_constructor(
+    loader: yaml.FullLoader, node: yaml.nodes.MappingNode
+) -> BaseModel:
+    """Construct a BaseModel config.
+
+    :param loader: Given yaml loader
+    :param type: yaml.FullLoader
+    :param loader: A mapping node
+    :param type: yaml.nodes.MappingNode
+    """
+    arg_map = loader.construct_mapping(node, deep=True) if node.value else {}
+    return eval(node.tag[1:])(**arg_map)
+
+
+def function_constructor(
+    loader: yaml.FullLoader,
+    tag_suffix: str,
+    node: Union[yaml.nodes.MappingNode, yaml.nodes.ScalarNode],
+) -> Callable:
+    """Construct a Callable. If function parameters are given, this returns a partial function.
+
+    :param loader: Given yaml loader
+    :param type: yaml.FullLoader
+    :param tag_suffix: The name after the !func: tag
+    :param type: str
+    :param loader: A mapping node if function parameters are given, a scalar node if not
+    :param type: Union[yaml.nodes.MappingNode, yaml.nodes.ScalarNode]
+    """
+    arg_map = None
+    if isinstance(node, yaml.nodes.MappingNode):
+        arg_map = (
+            loader.construct_mapping(node, deep=True) if node.value else {}
+        )
+        node = yaml.nodes.ScalarNode(
+            node.tag, "", node.start_mark, node.end_mark
+        )
+    func = loader.construct_python_name(tag_suffix, node)
+    if arg_map:
+        func = partial(func, **arg_map)
+    return func
+
+
+def get_loader() -> yaml.Loader:
+    """Add constructors to PyYAML loader."""
+    # For Python-specific tags, you can use full_load(), which resolves all tags except those known to be unsafe;
+    # this includes all the tags listed here: https://pyyaml.org/wiki/PyYAMLDocumentation#yaml-tags-and-python-types
+    loader = yaml.FullLoader
+    configs = [
+        ProteinGraphConfig.__name__,
+        DSSPConfig.__name__,
+        ProteinMeshConfig.__name__,
+        GetContactsConfig.__name__,
+        TRRUSTConfig.__name__,
+        RegNetworkConfig.__name__,
+        GRNGraphConfig.__name__,
+        STRINGConfig.__name__,
+        BioGridConfig.__name__,
+        PPIGraphConfig.__name__,
+        MoleculeGraphConfig.__name__,
+    ]
+    for config in configs:
+        loader.add_constructor(f"!{config}", config_constructor)
+    loader.add_multi_constructor("!func:", function_constructor)
+    return loader
+
+
+def parse_config(path: Path) -> BaseModel:
+    """
+    Parses a yaml configuration file into a config object.
+
+    :param path: Path to configuration file
+    :type path: pathlib.Path
+    """
+    with open(path, "rb") as f:
+        yml_config = yaml.load(f, Loader=get_loader())
+    return yml_config

From ad2ecb15844c15d63dce67a324fcb391845abe36 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 16:17:21 +0100
Subject: [PATCH 24/51] add names to graphs

---
 graphein/molecule/graphs.py | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/graphein/molecule/graphs.py b/graphein/molecule/graphs.py
index f67571d26..f1b2ff859 100644
--- a/graphein/molecule/graphs.py
+++ b/graphein/molecule/graphs.py
@@ -31,18 +31,22 @@
 
 
 def initialise_graph_with_metadata(
+    name: str,
     rdmol: rdkit.Mol,
     coords: np.ndarray,
 ) -> nx.Graph:
     """
     Initializes the nx Graph object with initial metadata.
 
+    :param name: Name of the molecule. Either the smiles or filename depending on how the graph was created.
+    :type name: str
     :param rdmol: Processed Dataframe of molecule structure.
     :type rdmol: rdkit.Mol
     :return: Returns initial molecule structure graph with metadata.
     :rtype: nx.Graph
     """
     return nx.Graph(
+        name=name,
         rdmol=rdmol,
         coords=coords,
     )
@@ -144,9 +148,11 @@ def construct_graph(
 
     coords = None
     if smiles is not None:
+        name = smiles
         rdmol = Chem.MolFromSmiles(smiles)
 
     if sdf_path is not None:
+        name = sdf_path.split("/")[-1].split(".")[0]
         rdmol = Chem.SDMolSupplier(sdf_path)[0]
         coords = [
             list(rdmol.GetConformer(0).GetAtomPosition(idx))
@@ -154,6 +160,7 @@ def construct_graph(
         ]
 
     if mol2_path is not None:
+        name = mol2_path.split("/")[-1].split(".")[0]
         rdmol = Chem.MolFromMol2File(mol2_path)
         coords = [
             list(rdmol.GetConformer(0).GetAtomPosition(idx))
@@ -161,6 +168,7 @@ def construct_graph(
         ]
 
     if pdb_path is not None:
+        name = pdb_path.split("/")[-1].split(".")[0]
         rdmol = Chem.MolFromPDBFile(pdb_path)
         coords = [
             list(rdmol.GetConformer(0).GetAtomPosition(idx))
@@ -171,6 +179,7 @@ def construct_graph(
         # If no coords are provided, add edges by bonds
         config.edge_construction_functions = [add_atom_bonds]
         g = initialise_graph_with_metadata(
+            name=name,
             rdmol=rdmol,
             coords=None,
         )

From 140954bc49fcb2cd636a001f91c5ef2a23534d71 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 18:02:15 +0100
Subject: [PATCH 25/51] add global mol descriptors

---
 graphein/molecule/features/__init__.py       |  1 +
 graphein/molecule/features/graph/__init__.py |  1 +
 graphein/molecule/features/graph/molecule.py | 69 ++++++++++++++++++++
 3 files changed, 71 insertions(+)
 create mode 100644 graphein/molecule/features/graph/__init__.py
 create mode 100644 graphein/molecule/features/graph/molecule.py

diff --git a/graphein/molecule/features/__init__.py b/graphein/molecule/features/__init__.py
index c7b1d7bca..ac69f6987 100644
--- a/graphein/molecule/features/__init__.py
+++ b/graphein/molecule/features/__init__.py
@@ -1,2 +1,3 @@
 from .edges import *
+from .graph import *
 from .nodes import *
diff --git a/graphein/molecule/features/graph/__init__.py b/graphein/molecule/features/graph/__init__.py
new file mode 100644
index 000000000..19b6ea23a
--- /dev/null
+++ b/graphein/molecule/features/graph/__init__.py
@@ -0,0 +1 @@
+from .molecule import *
diff --git a/graphein/molecule/features/graph/molecule.py b/graphein/molecule/features/graph/molecule.py
new file mode 100644
index 000000000..e5dd9d6a7
--- /dev/null
+++ b/graphein/molecule/features/graph/molecule.py
@@ -0,0 +1,69 @@
+"""Functions for featurising Small Molecule Graphs."""
+# %%
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+from typing import Dict, List, Optional, Union
+
+import networkx as nx
+import numpy as np
+import pandas as pd
+
+from graphein.utils.utils import import_message
+
+try:
+    from rdkit import Chem
+    from rdkit.Chem import Descriptors
+except ImportError:
+    import_message(
+        "graphein.molecule.features.graph.molecule", "rdkit", "rdkit", True
+    )
+
+
+def mol_descriptors(
+    g: nx.Graph,
+    descriptor_list: Optional[List[str]] = None,
+    return_array: bool = False,
+    return_series: bool = False,
+) -> Union[np.ndarray, pd.Series, Dict[str, Union[float, int]]]:
+    """Adds global molecular descriptors to the graph.
+
+    :param g: The graph to add the descriptors to.
+    :type g: nx.Graph
+    :param descriptor_list: The list of descriptors to add. If ``None``, all descriptors are added.
+    :type descriptor_list: Optional[List[str]]
+    :param return_array: If ``True``, the descriptors are returned as a ``np.ndarray``.
+    :type return_array: bool
+    :param return_series: If ``True``, the descriptors are returned as a ``pd.Series``.
+    :return: The descriptors as a dictionary (default) ``np.ndarray`` or ``pd.Series``.
+    :rtype: Union[np.ndarray, pd.Series,  Dict[str, Union[float, int]]]
+    """
+
+    mol = g.graph["rdmol"]
+    # Retrieve list of possible descriptors
+    descriptors = {d[0]: d[1] for d in Descriptors.descList}
+
+    # Subset descriptors to those provided
+    if descriptor_list is not None:
+        descriptors = {
+            k: v for k, v in descriptors.items() if k in descriptor_list
+        }
+
+    # Compute descriptors
+    desc = {d: descriptors[d](mol) for d in descriptors}
+
+    # Process Outformat
+    if return_array:
+        desc = np.array(desc.values())
+        g.graph["descriptors"] = desc
+    elif return_series:
+        desc = pd.Series(desc)
+        g.graph["descriptors"] = desc
+    else:
+        g.graph.update(desc)
+
+    return desc

From cd15a369142bab8de84f5ec4369b7c339ee9d24c Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 18:02:42 +0100
Subject: [PATCH 26/51] add add_hs flag

---
 graphein/molecule/config.py | 6 +++---
 graphein/molecule/graphs.py | 8 +++++---
 2 files changed, 8 insertions(+), 6 deletions(-)

diff --git a/graphein/molecule/config.py b/graphein/molecule/config.py
index 192715ad2..4840e8f3b 100644
--- a/graphein/molecule/config.py
+++ b/graphein/molecule/config.py
@@ -45,8 +45,8 @@ class MoleculeGraphConfig(BaseModel):
 
     :param verbose: Specifies verbosity of graph creation process.
     :type verbose: bool
-    :param deprotonate: Specifies whether or not to remove ``H`` atoms from the graph.
-    :type deprotonate: bool
+    :param add_hs: Specifies whether hydrogens should be added to the graph.
+    :type add_hs: bool
     :param edge_construction_functions: List of functions that take an ``nx.Graph`` and return an ``nx.Graph`` with desired
         edges added. Prepared edge constructions can be found in :ref:`graphein.protein.edges`
     :type edge_construction_functions: List[Callable]
@@ -60,7 +60,7 @@ class MoleculeGraphConfig(BaseModel):
     """
 
     verbose: bool = False
-    deprotonate: bool = False
+    add_hs: bool = False
     # Graph construction functions
     edge_construction_functions: List[Union[Callable, str]] = [
         add_fully_connected_edges,
diff --git a/graphein/molecule/graphs.py b/graphein/molecule/graphs.py
index f1b2ff859..54b72476c 100644
--- a/graphein/molecule/graphs.py
+++ b/graphein/molecule/graphs.py
@@ -46,9 +46,7 @@ def initialise_graph_with_metadata(
     :rtype: nx.Graph
     """
     return nx.Graph(
-        name=name,
-        rdmol=rdmol,
-        coords=coords,
+        name=name, rdmol=rdmol, coords=coords, smiles=Chem.MolToSmiles(rdmol)
     )
 
 
@@ -175,6 +173,9 @@ def construct_graph(
             for idx in range(rdmol.GetNumAtoms())
         ]
 
+    if config.add_hs:
+        rdmol = Chem.AddHs(rdmol)
+
     if coords is None:
         # If no coords are provided, add edges by bonds
         config.edge_construction_functions = [add_atom_bonds]
@@ -192,6 +193,7 @@ def construct_graph(
         )
 
         g = initialise_graph_with_metadata(
+            name=name,
             rdmol=rdmol,
             coords=np.asarray(coords),
         )

From bbe9f0a8b200c4dcded366ca3d353b7feab48198 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 18:03:26 +0100
Subject: [PATCH 27/51] fix feature funcs

---
 graphein/molecule/features/edges/bonds.py     | 2 +-
 graphein/molecule/features/nodes/atom_type.py | 8 ++++----
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/graphein/molecule/features/edges/bonds.py b/graphein/molecule/features/edges/bonds.py
index f363ed7d7..95a4b2c84 100644
--- a/graphein/molecule/features/edges/bonds.py
+++ b/graphein/molecule/features/edges/bonds.py
@@ -119,7 +119,7 @@ def bond_is_in_ring_size(
         log.debug(f"No RDKit bond found on edge {u}-{v}")
         d[f"ring_size_{ring_size}"] = None
         return None
-    bond_is_in_ring = d["bond"].IsInRing()
+    bond_is_in_ring = d["bond"].IsInRingSize(ring_size)
     d[f"ring_size_{ring_size}"] = bond_is_in_ring
     return bond_is_in_ring
 
diff --git a/graphein/molecule/features/nodes/atom_type.py b/graphein/molecule/features/nodes/atom_type.py
index c879af686..bb8f3ec21 100644
--- a/graphein/molecule/features/nodes/atom_type.py
+++ b/graphein/molecule/features/nodes/atom_type.py
@@ -38,7 +38,7 @@ def atom_type_one_hot(
     if allowable_set is None:
         allowable_set = BASE_ATOMS
 
-    features = onek_encoding_unk(d["atomic_num"], allowable_set)
+    features = onek_encoding_unk(d["element"], allowable_set)
 
     if return_array:
         features = np.array(features).astype(int)
@@ -107,7 +107,7 @@ def explicit_valence(n: str, d: Dict[str, Any]) -> int:
     :return: Explicit valence of the atom.
     :rtype: int
     """
-    explicit_valence = d["rdmol_atom"].GetMass()
+    explicit_valence = d["rdmol_atom"].GetExplicitValence()
     d["explicit_valence"] = explicit_valence
     return explicit_valence
 
@@ -122,7 +122,7 @@ def implicit_valence(n: str, d: Dict[str, Any]) -> int:
     :return: Implicit valence of the atom.
     :rtype: int
     """
-    implicit_valence = d["rdmol_atom"].GetMass()
+    implicit_valence = d["rdmol_atom"].GetImplicitValence()
     d["implicit_valence"] = implicit_valence
     return implicit_valence
 
@@ -261,7 +261,7 @@ def is_ring_size(n: str, d: Dict[str, Any], ring_size: int) -> bool:
     :return: Indicator of ring membership of size ``ring_size`` of the atom.
     :rtype: bool
     """
-    ring = d["rdmol_atom"].IsInRingSize(size=ring_size)
+    ring = d["rdmol_atom"].IsInRingSize(ring_size)
     d[f"is_ring_{ring_size}"] = ring
     return ring
 

From b5f50a05debde2592e18a81e3eaeaea85ac76498 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 18:03:44 +0100
Subject: [PATCH 28/51] add descriptor vocab

---
 graphein/molecule/atoms.py | 213 +++++++++++++++++++++++++++++++++++++
 1 file changed, 213 insertions(+)

diff --git a/graphein/molecule/atoms.py b/graphein/molecule/atoms.py
index dfb841874..78c25189c 100644
--- a/graphein/molecule/atoms.py
+++ b/graphein/molecule/atoms.py
@@ -206,3 +206,216 @@
     Chem.rdchem.ChiralType.CHI_UNSPECIFIED: 3,
 }
 """Vocabulary of all RDKit chiral types mapped to integer values."""
+
+
+RDKIT_MOL_DESCRIPTORS: List[str] = [
+    "MaxEStateIndex",
+    "MinEStateIndex",
+    "MaxAbsEStateIndex",
+    "MinAbsEStateIndex",
+    "qed",
+    "MolWt",
+    "HeavyAtomMolWt",
+    "ExactMolWt",
+    "NumValenceElectrons",
+    "NumRadicalElectrons",
+    "MaxPartialCharge",
+    "MinPartialCharge",
+    "MaxAbsPartialCharge",
+    "MinAbsPartialCharge",
+    "FpDensityMorgan1",
+    "FpDensityMorgan2",
+    "FpDensityMorgan3",
+    "BCUT2D_MWHI",
+    "BCUT2D_MWLOW",
+    "BCUT2D_CHGHI",
+    "BCUT2D_CHGLO",
+    "BCUT2D_LOGPHI",
+    "BCUT2D_LOGPLOW",
+    "BCUT2D_MRHI",
+    "BCUT2D_MRLOW",
+    "BalabanJ",
+    "BertzCT",
+    "Chi0",
+    "Chi0n",
+    "Chi0v",
+    "Chi1",
+    "Chi1n",
+    "Chi1v",
+    "Chi2n",
+    "Chi2v",
+    "Chi3n",
+    "Chi3v",
+    "Chi4n",
+    "Chi4v",
+    "HallKierAlpha",
+    "Ipc",
+    "Kappa1",
+    "Kappa2",
+    "Kappa3",
+    "LabuteASA",
+    "PEOE_VSA1",
+    "PEOE_VSA10",
+    "PEOE_VSA11",
+    "PEOE_VSA12",
+    "PEOE_VSA13",
+    "PEOE_VSA14",
+    "PEOE_VSA2",
+    "PEOE_VSA3",
+    "PEOE_VSA4",
+    "PEOE_VSA5",
+    "PEOE_VSA6",
+    "PEOE_VSA7",
+    "PEOE_VSA8",
+    "PEOE_VSA9",
+    "SMR_VSA1",
+    "SMR_VSA10",
+    "SMR_VSA2",
+    "SMR_VSA3",
+    "SMR_VSA4",
+    "SMR_VSA5",
+    "SMR_VSA6",
+    "SMR_VSA7",
+    "SMR_VSA8",
+    "SMR_VSA9",
+    "SlogP_VSA1",
+    "SlogP_VSA10",
+    "SlogP_VSA11",
+    "SlogP_VSA12",
+    "SlogP_VSA2",
+    "SlogP_VSA3",
+    "SlogP_VSA4",
+    "SlogP_VSA5",
+    "SlogP_VSA6",
+    "SlogP_VSA7",
+    "SlogP_VSA8",
+    "SlogP_VSA9",
+    "TPSA",
+    "EState_VSA1",
+    "EState_VSA10",
+    "EState_VSA11",
+    "EState_VSA2",
+    "EState_VSA3",
+    "EState_VSA4",
+    "EState_VSA5",
+    "EState_VSA6",
+    "EState_VSA7",
+    "EState_VSA8",
+    "EState_VSA9",
+    "VSA_EState1",
+    "VSA_EState10",
+    "VSA_EState2",
+    "VSA_EState3",
+    "VSA_EState4",
+    "VSA_EState5",
+    "VSA_EState6",
+    "VSA_EState7",
+    "VSA_EState8",
+    "VSA_EState9",
+    "FractionCSP3",
+    "HeavyAtomCount",
+    "NHOHCount",
+    "NOCount",
+    "NumAliphaticCarbocycles",
+    "NumAliphaticHeterocycles",
+    "NumAliphaticRings",
+    "NumAromaticCarbocycles",
+    "NumAromaticHeterocycles",
+    "NumAromaticRings",
+    "NumHAcceptors",
+    "NumHDonors",
+    "NumHeteroatoms",
+    "NumRotatableBonds",
+    "NumSaturatedCarbocycles",
+    "NumSaturatedHeterocycles",
+    "NumSaturatedRings",
+    "RingCount",
+    "MolLogP",
+    "MolMR",
+    "fr_Al_COO",
+    "fr_Al_OH",
+    "fr_Al_OH_noTert",
+    "fr_ArN",
+    "fr_Ar_COO",
+    "fr_Ar_N",
+    "fr_Ar_NH",
+    "fr_Ar_OH",
+    "fr_COO",
+    "fr_COO2",
+    "fr_C_O",
+    "fr_C_O_noCOO",
+    "fr_C_S",
+    "fr_HOCCN",
+    "fr_Imine",
+    "fr_NH0",
+    "fr_NH1",
+    "fr_NH2",
+    "fr_N_O",
+    "fr_Ndealkylation1",
+    "fr_Ndealkylation2",
+    "fr_Nhpyrrole",
+    "fr_SH",
+    "fr_aldehyde",
+    "fr_alkyl_carbamate",
+    "fr_alkyl_halide",
+    "fr_allylic_oxid",
+    "fr_amide",
+    "fr_amidine",
+    "fr_aniline",
+    "fr_aryl_methyl",
+    "fr_azide",
+    "fr_azo",
+    "fr_barbitur",
+    "fr_benzene",
+    "fr_benzodiazepine",
+    "fr_bicyclic",
+    "fr_diazo",
+    "fr_dihydropyridine",
+    "fr_epoxide",
+    "fr_ester",
+    "fr_ether",
+    "fr_furan",
+    "fr_guanido",
+    "fr_halogen",
+    "fr_hdrzine",
+    "fr_hdrzone",
+    "fr_imidazole",
+    "fr_imide",
+    "fr_isocyan",
+    "fr_isothiocyan",
+    "fr_ketone",
+    "fr_ketone_Topliss",
+    "fr_lactam",
+    "fr_lactone",
+    "fr_methoxy",
+    "fr_morpholine",
+    "fr_nitrile",
+    "fr_nitro",
+    "fr_nitro_arom",
+    "fr_nitro_arom_nonortho",
+    "fr_nitroso",
+    "fr_oxazole",
+    "fr_oxime",
+    "fr_para_hydroxylation",
+    "fr_phenol",
+    "fr_phenol_noOrthoHbond",
+    "fr_phos_acid",
+    "fr_phos_ester",
+    "fr_piperdine",
+    "fr_piperzine",
+    "fr_priamide",
+    "fr_prisulfonamd",
+    "fr_pyridine",
+    "fr_quatN",
+    "fr_sulfide",
+    "fr_sulfonamd",
+    "fr_sulfone",
+    "fr_term_acetylene",
+    "fr_tetrazole",
+    "fr_thiazole",
+    "fr_thiocyan",
+    "fr_thiophene",
+    "fr_unbrch_alkane",
+    "fr_urea",
+]
+"""Vocabulary of easy-to-compute RDKit molecule descriptors"""

From b5b793c0e45a5f508acb3d61653a6adc8a4ca407 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 18:07:00 +0100
Subject: [PATCH 29/51] update changelog

---
 CHANGELOG.md | 11 ++++++++++-
 1 file changed, 10 insertions(+), 1 deletion(-)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index 3365045d0..2d3e6e83d 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -1,3 +1,12 @@
+### 1.4.0 - UNRELEASED
+
+* [Feature] - #157 adds support for small molecule graphs using RDKit. Resolves #155.
+
+#### Breaking Changes
+
+* #157 refactors config matching operators from `graphein.protein.config` to `graphein.utils.config`
+* #157 refactors config parsing operators from `graphein.utils.config` to `graphein.utils.config_parser`
+
 ### 1.3.0 - 5/4/22
 
 * [Feature] - #141 adds edge construction based on sequence distance.
@@ -7,7 +16,7 @@
 * [Feature] - #144 adds support for automagically downloading new PDB files for obsolete structures.
 * [Feature] - #150 adds support for hydrogen bond donor and acceptor counts node features. #145
 * [Misc] - #144 makes visualisation functions accessible in the `graphein.protein` namespace. #138
-* [Bugfix] - #147 fixes error in `add_distance_threshold` introduced in v1.2.1 that would prevent the edges being added to the graph. [#146](https://github.com/a-r-j/graphein/issues/146) 
+* [Bugfix] - #147 fixes error in `add_distance_threshold` introduced in v1.2.1 that would prevent the edges being added to the graph. [#146](https://github.com/a-r-j/graphein/issues/146)
 * [Bugfix] - #149 fixes a bug in `add_beta_carbon_vector` that would cause coordinates to be extracted for multiple positions if the residue has an altloc. Resolves [#148](https://github.com/a-r-j/graphein/issues/148)
 
 ### 1.2.1 - 16/3/22

From fe770691373806014eafce6a6cb413658c6f7a05 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 18:10:13 +0100
Subject: [PATCH 30/51] add molecule tutorial

---
 notebooks/molecule_tutorial.ipynb | 508 ++++++++++++++++++++++++++++++
 1 file changed, 508 insertions(+)
 create mode 100644 notebooks/molecule_tutorial.ipynb

diff --git a/notebooks/molecule_tutorial.ipynb b/notebooks/molecule_tutorial.ipynb
new file mode 100644
index 000000000..15d16fa72
--- /dev/null
+++ b/notebooks/molecule_tutorial.ipynb
@@ -0,0 +1,508 @@
+{
+ "cells": [
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "# Creating Molecular Graphs in Graphein\n",
+    "\n",
+    "Graphein provides a set of tools for working with molecular graphs. Under the hood, we wrap RDKit functions for the graph construction. While the main format used is an nx.Graph, each graph, node & edge has its underlying [RDKit object](https://www.rdkit.org/docs/source/rdkit.Chem.rdchem.html) stored as metadata so RDKit methods can still be used.\n",
+    "\n",
+    "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/a-r-j/graphein/blob/master/notebooks/molecule_tutorial.ipynb)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 1,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "# Install Graphein if necessary\n",
+    "# !pip install graphein[extras]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 2,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "WARNING:graphein.protein.visualisation:To use the Graphein submodule graphein.protein.visualisation, you need to install: pytorch3d \n",
+      "To do so, use the following command: conda install -c pytorch3d pytorch3d\n",
+      "WARNING:graphein.protein.meshes:To use the Graphein submodule graphein.protein.meshes, you need to install: pytorch3d \n",
+      "To do so, use the following command: conda install -c pytorch3d pytorch3d\n",
+      "INFO:rdkit:Enabling RDKit 2022.03.1 jupyter extensions\n"
+     ]
+    }
+   ],
+   "source": [
+    "import networkx as nx\n",
+    "import logging\n",
+    "logging.getLogger(\"matplotlib\").setLevel(logging.WARNING)\n",
+    "\n",
+    "import graphein.molecule as gm"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Config\n",
+    "Similar to [Protein Graph Construction](https://graphein.ai/notebooks/residue_graphs.html), configuration of small molecule graphs is controlled by a [`MoleculeGraphConfig`]() object."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 3,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "MoleculeGraphConfig(verbose=False, add_hs=False, edge_construction_functions=[<function add_fully_connected_edges at 0x7fe3895cf280>, <function add_k_nn_edges at 0x7fe3895cf310>, <function add_distance_threshold at 0x7fe3895cf1f0>, <function add_atom_bonds at 0x7fe3895ccdc0>], node_metadata_functions=[<function atom_type_one_hot at 0x7fe3895cf430>], edge_metadata_functions=None, graph_metadata_functions=None)"
+      ]
+     },
+     "execution_count": 3,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "config = gm.MoleculeGraphConfig()\n",
+    "config"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Creating Graphs\n",
+    "\n",
+    "### Creating a Molecular Graph from SMILES\n",
+    "\n",
+    "Let's take a look at a simple molecule, acetylsalicylic acid (or aspirin as it's more commonly known)."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 4,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Graph named 'CC(=O)OC1=CC=CC=C1C(=O)O' with 13 nodes and 13 edges\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<rdkit.Chem.rdchem.Mol at 0x7fe387d266a0>"
+      ]
+     },
+     "execution_count": 4,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "image/png": 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/Y7mT40YhuWHwkerd2Cf01ltvRUZGBh5++GGEhLQ/Vyan2YggCLh48WKHGVxJSQk0Gg1Gjx7dYRY3dOhQvzmXdqKyHjkFFcgvq4EGLYfTW7XOqqfGhyMzNZbLm9+jtI1CvsDgI/pWa5/Q3NxcFBYW4qGHHkJGRgYmTZqEE5UNklx/aj3k3dkSZf/+/TvM4BITExEeHu43AdedOrsTlmOVsFY1wuZogtGghykyBOYk/7qO2te4UahrDD6iTlRXV+P9999Hbm4utFotItNextkmIzz5YunJNxKXy4UzZ860C7YbD3l3tkQ5aNAgz98gKRo3CnWNwUfUBUEQkLf/IH6+px5ujecbPVqXjkL6aXDq1KkO199OnTqFyMjIDkcEEhISYDQaRXxHpBZyWpqXGwYfUTfE2CygcbsQULILlXv+iltvvbXD9beeHPIm6q2ebhSC4IZOA7wyZ6ziQw8AdFIXQCR3Ytw5QNDqcM8DD2PN1re9OuRN1BvpySMxLiqs241Cd0SF4OO3liM540PJau1LDD6ibtgcLlHG0RqCGXrU58ZFhWFt+sRuNwq9eeUxLF26FHv37lXM5qibYfARdcNoEOfLxGiQrls/0S3BgV2ey1u2bBk++OAD/PWvf8VTTz3Vh5X1PfmcWiWSKVOEEYE6775UDDotTJHe32+OyFd0Oh3+8pe/YMWKFbh06ZLU5fgUg4+oG+YJ3vX0BAABgDnJ+3GIfOm2227DwoUL8cwzz0hdik8x+Ii6MTg4EClx4fD0sodG09JlhAeuyR+sWrUKRUVF2Llzp9Sl+AyDj6gHnk6NhUHn2Tk+gy4AmamxIldE5BtBQUH485//jMzMTDQ2Nkpdjk8w+Ih6YPzwMKycZUKQvndfMi0Hgk2K7oJByjN16lTMmDEDL774otSl+AQPsBP1Qk8PBAtuNwz9AvDS7ERVHAgm5fnmm28wZswYbNu2DXfddZfU5YiKMz6iXkhPHoktS5JxX+IQBOq0MHxvt6dBp0WgTosR2ssYXbWboUd+a9CgQXj77bexaNEiXL9+XepyRMUZH5GHujoQ3E+4jri4OOTl5eH222+XulQijwiCgDlz5mDixIl4+eWXpS5HNAw+Ih9Zu3Yttm7dqopOGKRclZWVuP3223HgwAEkJCRIXY4ouNRJ5COLFi3CV199hV27dkldCpHHoqKi8Morr2Dx4sVwu73rWSsXDD4iH9HpdHjttdfw/PPPw+USp98nkRR+9rOfwe12489//rPUpYiCS51EPiQIAqZNm4ZHH30US5YskbocIo+VlJQgJSUFx48fx7Bhw1Brd8JSVAlrtQ02hwtGgw6mCCPSJkTJvlkDg4/Ix4qKivDAAw+gvLwcISHs10n+65VXXsEn1kqMnP1TFJbXAEC7W3a13uYoNT4cmSmxGD88TJpCu8HgI+oDjz/+OKKjo/Hqq69KXQqRx9YdqsD/bP8cGp0eAm6+YUujaelYtHKWSZZHehh8RH3g/PnzSEpKwokTJzBs2DCpyyHqtZbmDaW41tTzDS4tnYsSZBd+DD6iPvLCCy+gpqYGubm5UpdC1CvFF+rxyLuHca2pudevDdIHYMuSZFm17eOuTqI+8stf/hI7d+7EiRMnpC6FqFeyCyrgcPU+9ADA4WpGTkGFyBV5h8FH1EdCQ0Px0ksv4fnnn5e6FKIeq7U7UVhe02Vv2q4IApBfVoM6u1PcwrzA4CPqQ0uXLsXZs2fx8ccfS10KUY9Yiiq9HkMDwHLM+3HEwuAj6kN6vb7tUHtzs2dLR0R9yVpta3dkwRMOlxvWKvnc24/BR9TH5syZg9DQUKxfv17qUoi6ZXOI03XI5mgSZRwxMPiI+phGo8Hvf/97vPTSS7hy5YrU5RB1SecW55ZERoNelHHEwOAjksCdd96JKVOm4I033pC6FKIOzp8/jzfffBOTJk3CjvfXQuv2btZn0GlhipRP1yKe4yOSyNmzZzFx4kScPHkSkZGRUpdDKnf69Gls27YNFosFZ8+exY9//GOYzWaM+9FkpL510KvrfIE6LT5ZMU02PTwZfEQSev7559HQ0KCYrvfkX8rLy2GxWGCxWHDx4kXMnTsXZrMZKSkp0Ol0bc9bsuEo9pRe8uhIg0YD3Jc4BGvTJ4pYuXcYfEQSunz5MuLj45Gfn4/Ro0dLXQ6pQElJSVvY1dbWtoXdPffcg4CAgE5fo7TOLQw+Iom9/fbb2LNnD/71r39JXQopkCAIOHnyJCwWC7Zu3QqbzQaz2Qyz2YxJkyZBq+3ZVg/26iQi0Vy/fh2JiYlYu3Ytpk+fLnU5pACCIOD48eNtMzun09kWdnfccUePw+77WsLPCoeructlT96dgYi6ZbFY8Otf/xpFRUU3XW4i6oogCDh69Ghb2AFAWloazGYzJkyYAI3m5rcR6o0TlfXIKahAflkNNGg5nN6q9X58U+PDkZkaK6vlzRsx+IhkQBAETJ48GUuXLsWTTz4pdTnkJ9xuN44cOYKtW7di27Zt6NevX1vY3XbbbaKFXWfq7E5YjlXCWtUIm6MJRoMepsgQmJN4B3Yi6qH//Oc/mD9/PsrKytC/f3+pyyGZcrvd+OSTT2CxWLBt2zYYjca2ZcwxY8b4NOyUgsFHJCNpaWm4/fbb8eKLL0pdCslIc3MzDh48CIvFgr///e8IDw+H2WzGvHnzkJiYKHV5fofBRyQjFRUVSE5OxhdffIEhQ4ZIXQ5JyOVyoaCgABaLBf/4xz8QFRXVFnZxcXFSl+fXGHxEMvPss8/C6XQiJydH6lLoe2rtTliKKmGttsHmcMFo0MEUYUTaBHGuazU1NWHfvn2wWCzYvn07oqOj25YxR40aJcI7IIDBRyQ7dXV1MJlMOHDgABISEqQuh9BygDu7oAKF5TUA0K59V+tOxtT4cGSmxGL88LBeje10OrF3715YLBbs2LED8fHxbTO7W2+9VcR3Qa0YfEQy9MYbb6CwsBA7duyQuhTV88XZtWvXrmH37t2wWCzYuXMnxo4dC7PZjLlz5yIqKkrcN0AdMPiIZMjpdMJkMmHdunVITU2VuhzVErNbydWrV7Fr1y5YLBbs2rULSUlJMJvNeOihh9ikvI8x+Ihk6sMPP8Tvf/97HDlyxONOG+Q5MfpTjgrTIS8vD1u3bsXu3btxxx13wGw248c//jE3L0mIwUckU4IgIDk5GcuWLcNPfvITn2+soPa8uiMBBBgbz+HchpWYNGkSzGYz5syZg8GDB4tfKPUag49Ixg4ePIj0ZSsx45nXcfD0NwDE3VhBnau1OzH5d/u9ugedTiPg46fvQMywH4hYGYmB6ydEMnZePxzamcuxt6wGTpe7wzdix7e/t7vkEh559zA2Hj4nTaEKYymq9HoMXUAA9p5uFKEaEpuu+6cQkRRaN1YIWn23zxUE4FpTM7LySgFAlh3x5UoQBNjtdthstrZH/md1cLq8WwxzuNywVjH45IjBRyRDxRfqkZVn7dVuQgC41uRGVp4V46LCZNsZXyxut7tdYDU0NLQLrxsfXX2ssbER/fv3h9FobHs0JqUDYd4fGLc5mkR4pyQ2Bh+RDGUXVMDh6v1uQgBwuJqRU1CBtekTRa5KHM3NzWhsbPQopG782JUrVzBgwIB2gRUaGtru10ajEUOHDoXJZOr0Y0ajESEhIR1uBfWLLZ/ho+Nfef1ejYbuZ+vU9xh8RDJTa3eisLzGo92EQMuyZ35ZDersTlF3e7pcrnaB5ekM6+rVqwgODr5pULU+RowYcdOPhYaGIjg42GfHPEwRRgTqqr3a3GLQaWGKDBGxKhILg49IZsTYWKEBYDlWiaVTYtDU1OT17Mpms8HhcNw0iG4MsZEjR3Y5CxswYIDszyWaJ0Thrb3lXo0hADAnsQuLHDH4iGTGWm3zaqYBtGys+NU77+HZ+9/C9evXbxpSNz5iYmK6nIUNGDBANfd6GxwciJS4cM/P8Wla7kLO85XyxOAjkhmbwyXKOCnT78e761ciKChINYElpqdTY3HwVK1HnVsMugBkpsb6oCoSg7zXG4hUyGgQ5+fRH4SFoH///gw9D40fHoaVs0wI0vfu22RLr06T4nfV+jMGH5HMtGys8O5LkxsrxJGePBIrZyUgSB+A7n5+0GhaenR21qCa5IUty4hkRox2WYE6LT5ZMY3XmERyorIeOQUVyC+rgQYt11BbtbaNmxofjszUWM70/ACDj0iGlmw4ij0ll+DJF6dGA9yXOES25/j8WZ3dCcuxSlirGmFzNMFo0MMUGQJzEhuF+xMGH5EM7T12Cos2nwR0/Xr92tZb4nDmQdQ5XuMjkplTp05h8byZuCekhhsriHyAwUckI8ePH0dKSgpefPFFbHh5CTdWEPkAlzqJZOLQoUOYO3cusrOzkZaW1vb73FhBJC4GH5EM5OXl4cknn8SmTZswc+bMTp/DjRVE4mDwEUls8+bN+MUvfoGPPvoId911l9TlECkeW5YRSWjNmjXIysrC3r17MXbsWKnLIVIFBh+RBARBwG9+8xu89957OHDgAEaN8v6mp0TUMww+oj7mdrvx3HPPYc+ePTh06BAiIyOlLolIVRh8RH3I5XJh8eLFKCsrw4EDBzBw4ECpSyJSHQYfUR9xOBx49NFHcfXqVezZswcDBgyQuiQiVeIBdqI+0NjYiNmzZ0Ov1+Of//wnQ49IQgw+Ih+rra3Fvffei5iYGGzevBn9+vW+/yYRiYfBR+RDlZWVmDJlCu6991786U9/QkBAgNQlEakeg4/IR8rLy3H33XfjqaeewurVq3kndCKZ4OYWIh/47LPPMHv2bLz66qtYtGiR1OUQ0Q0YfEQiO3jwIObNm4ecnByYzWapyyGi72HwEYnoX//6FxYsWIAPPvgAM2bMkLocIuoEr/ERieSDDz7AwoUL8c9//pOhRyRjnPERiSA7OxurV6/Gvn37MGbMGKnLIaIuMPiIvCAIAn79619j/fr1OHjwIKKjo6UuiYi6weAj8pDb7cby5cuRn5+PQ4cOISIiQuqSiKgHGHxEHnC5XMjIyEBFRQUKCgrYbJrIjzD4iHrJ4XDg4YcfhtPpxO7du9l3k8jPcFcnUS/YbDbMmjULQUFB2LFjB0OPyA8x+Ih6qKamBtOmTUNcXBw2bdrEZtNEforBR9QDFy5cwJQpU3DfffdhzZo1bDZN5McYfETdKCsrwz333INFixYhKyuLzaaJ/Bw3txB14dixY5g9ezaysrKwcOFCqcshIhEw+IhuorCwEGlpaVi7di3mzp0rdTlEJBIGH1Endu7ciaeeegqbN2/G9OnTpS6HiETEa3xE37Np0yYsWrQIO3fuZOgRKRBnfKR4tXYnLEWVsFbbYHO4YDToYIowIm1CFG4JDmz33HfeeQevvfYa9u3bh9GjR0tUMRH5kkYQBEHqIoh8ofhCPbILKlBYXgMAcLrcbR8z6LQQAKTGhyMzJRbjokLx6quvYuPGjdizZw9GjhwpTdFE5HMMPlKkjYfPISvPCoerGV19hms0QKBOizj7SZzftxEff/wxm00TKRyDjxSnJfRKca3J3f2Tv6Vpvo5f/i8TlkxN8GFlRCQH3NxCilJ8oR5ZedZehR4ACAH98Fb+eZyorPdNYUQkGww+UpTsggo4XM0evdbhakZOQYXIFRGR3DD4SDFq7U4Ultd0eU2vK4IA5JfVoM7uFLcwIpIVBh8phqWo0usxNAAsx7wfh4jki8FHimGttrU7suAJh8sNa1WjSBURkRwx+EgxbA6XSOM0iTIOEckTg48Uw2gQpxGR0aAXZRwikicGHymGKcKIQJ13n9IGnRamyBCRKiIiOWLwkWKYJ0R5PYYAwJzk/ThEJF8MPlKMwcGBSIkLR0t89Z5GA0yND+/QuJqIlIXBR4phs9nw5a53gWbPNqcYdAHITI0VuSoikhsGHynCF198gR/96EeIDtVi1X+NRZC+d5/aQXotVs4yYVxUmG8KJCLZ4P34yO9t3rwZy5YtwxtvvIEnnngCAKDX6Xp8dwaDLgArZ5mQnjyybwomIknx7gzkt65fv47nnnsOeXl52LZtG8aPH9/u4ycq65FTUIH8shpo0HI4vVXr/fimxocjMzWWMz0iFWHwkV+qrKzE/PnzMXjwYLz//vsICwu76XPr7E5YjlXCWtUIm6MJRoMepsgQmJM63oGdiJSPwUd+Z//+/fjJT36CZcuWYcWKFdBqeamaiHqO1/jIbwiCgNdeew1vv/02NmzYgOnTp0tdEhH5IQYf+YWGhgYsWLAAVVVVOHLkCIYPHy51SUTkp7hGRLJ34sQJTJw4EUOHDkVhYSFDj4i8wuAjWdu4cSPuvfderFq1CtnZ2QgM5GYUIvIOlzpJlpxOJ5YvX47du3dj//79GDt2rNQlEZFCMPhIdi5cuIC0tDRERkbi6NGjCA0NlbokIlIQLnWSrOzduxd33HEH5s6di7///e8MPSISHWd8JAtutxu//e1v8c4772DTpk2YNm2a1CURkUIx+Ehy9fX1eOKJJ1BbW4ujR49i2LBhUpdERArGpU6SVHFxMSZOnIiRI0eioKCAoUdEPsfgI8msX78e06dPx69+9Sv88Y9/RL9+/aQuiYhUgEud1OecTieeeeYZ5OfnIz8/H2PGjJG6JCJSEc74qE+dP38ed999N2pqavDpp58y9IiozzH4qM/s3r0bd955Jx5++GFYLBYYjUapSyIiFeJSJ/mc2+1GVlYW1qxZgy1btiAlJUXqkohIxRh85FPffPMNHn/8cTQ0NODo0aMYOnSo1CURkcpxqZN85rPPPsPEiRMRFxeH/Px8hh4RyQKDj3zivffew8yZM7F69Wq89dZb0Ov1UpdERASAS50kMofDgZ///Oc4dOgQCgsLkZiYKHVJRETtcMZHojl37hwmT56MhoYGHDlyhKFHRLLE4CNR7Nq1C3feeSfS09OxZcsWhISESF0SEVGnuNRJ7dTanbAUVcJabYPN4YLRoIMpwoi0CVG4Jbjj3c/dbjdeffVVvPvuu7BYLLjnnnskqJqIqOc0giAIUhdB0iu+UI/sggoUltcAAJwud9vHDDotBACp8eHITInF+OFhAIC6ujqkp6fjypUr2LJlCyIjIyWonIiodxh8hI2HzyErzwqHqxldfTZoNIBBF4CVs0xI0NfBbDZj3rx5WL16NXdtEpHfYPCpXEvoleJak7v7J39Lr3HDfnAD3nlmPsxmsw+rIyISH6/xqVjxhXpk5Vl7FXoA0CRoYUxZgLjkST6qjIjId7irU8WyCyrgcDV79NrrbgE5BRUiV0RE5HsMPpWqtTtRWF7T5TW9rggCkF9Wgzq7U9zCiIh8jMGnUpaiSq/H0ACwHPN+HCKivsTgUylrta3dkQVPOFxuWKsaRaqIiKhvcHOLyly5cgVnz57FqXOVEOPnHpujyfuiiIj6kGqCr7cdSfyV2+1GVVUVzpw5g9OnT+PMmTPtHg0NDYiOjoZ+yiJgYLzXf57RwPN7RORfFH+Oz5OOJHJnt9tx9uzZDqF25swZnDt3DmFhYYiJicGoUaM6PCIiIqDVarG28DTe2lvu1XKnQafFszPisHRKjIjvjojItxQdfJ50JElPHtln9d2M2+3GV1991WmwnTlzBjabDdHR0Z0GW3R0NPr379/tn1Frd2Ly7/Z7FXyBOi0+WTFNUTNmIlI+xS519qYjiSAA15qakZVXCgB9En6dzdpalybPnz+PgQMHtgu0mTNndpi1eWNwcCBS4sKxp/SSR0caNBpganw4Q4+I/I4iZ3zFF+rxyLuHca2p94ezg/QB2LIkGeOiwryq4cZZW2fX2hobGzudtcXExGDkyJE9mrV5Sw5/T0REfU2Rwbdkw1GvZjL3JQ7B2vSJ3T7XbrffdDny3LlzGDRoUKfBNmrUKAwZMsTrWZsYPOnVGaTXYuWsBFksCxMR9ZbiljrF7EgysL8eFy9e7DTYTp8+Dbvd3jZri4mJQVxcHO6//36MGjWqz2Zt3moNL3+8FkpE5AnFzfjE2K2ocTdBe3IXLu5bj0GDBnW5Q1Kj0YhYvXROVNYjp6AC+WU10KDlcHqr1t2vU+PDkZkay+VNIvJrigu+X2z5DB8d/8rrcaZFB+P/pv/IL2ZtYqqzO2E5VglrVSO279qNqZPvxB3xUTAnKeu8IxGpl+KWOm0OlyjjaAL7qy70AOCW4MC2c3n5qxfgfz8zA7ffznN6RKQc0u+uEJnRIE6WsyMJEBQUBIfDIXUZRESiUlzwmSKMCNR597YMOi1MkSEiVeS/DAYDrl27JnUZRESiUlzwmSdEeT2GAMCc5P04/s5gMHDGR0SKo7jga+1I4ulmS3Yk+Q6XOolIiRQXfADwdGosDLoAj15r0AUgMzVW5Ir8E5c6iUiJFBl844eHYeUsE4L0vXt7LR1JTDyn9i0udRKREinuOEMrdiTxXlBQEGd8RKQ4ig0+oCX8xkWFsSOJhzjjIyIlUnTwAcC4qDCsTZ/YriOJzdEEo0EPU2QIO5J0gZtbiEiJFB98rW7sSEI9w80tRKREitzcQuLgUicRKRGDj26Km1uISIkYfHRTnPERkRIx+OimuLmFiJSIwUc3xc0tRKREirsRLXmv1u6EpagS+4qsKK04i+kpk2GKMCJtAo9+EJH/Y/BRm+IL9cguqEBheQ0AwNnJYf/U+HBkpsRi/PAwaYokIvISg48AABsPn2N7NyJSBdUcYKebawm9Ulxrcnf7XEEArjU1IyuvFAAYfkTkd7i5ReWKL9QjK8/ao9C70bUmN7LyrDhRWe+bwoiIfITBp3LZBRVwuJo9eq3D1YycggqRKyIi8i0Gn4rV2p0oLK/p8ppeVwQByC+rQZ3dKW5hREQ+xOBTMUtRpddjaABYjnk/DhFRX2HwqZi12tbuyIInHC43rFWNIlVEROR7DD4VszlcIo3TJMo4RER9gcGnYkaDOKdZjAa9KOMQEfUFBp+KmSKMCNR59ylg0GlhigwRqSIiIt9j8KmYeUKU12MIAMxJ3o9DRNRXGHwqNjg4EClx4dBoPHu9RgNMjQ9n42oi8isMPpV7OjUWBl2AR6816AKQmRorckVERL7F4FO58cPDsHKWCUH63n0qBOm1WDnLhHFRYb4pjIjIR9ikmtoaTfPuDESkBrwtEbU5UVmPnIIK5JfVQIOWw+mtWu/HNzU+HJmpsZzpEZHfYvBRB3V2JyzHKmGtaoTN0QSjQQ9TZAjMSbwDOxH5PwYfERGpCje3EBGRqjD4iIhIVRh8RESkKgw+IiJSFQYfERGpCoOPiIhUhcFHRESqwuAjIiJVYfAREZGqMPiIiEhVGHxERKQqDD4iIlIVBh8REakKg4+IiFSFwUdERKrC4CMiIlVh8BERkaow+IiISFUYfEREpCoMPiIiUhUGHxERqcr/B35pP5JtyCPKAAAAAElFTkSuQmCC",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "graph = gm.construct_graph(smiles=\"CC(=O)OC1=CC=CC=C1C(=O)O\", config=config)\n",
+    "print(graph)\n",
+    "nx.draw(graph)\n",
+    "graph.graph[\"rdmol\"]"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "Molecule features are stored as dictionaries on the graph, nodes and edges."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 5,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26640>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26700>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 8, 'element': 'O', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26760>, 'atom_type_one_hot': array([0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 8, 'element': 'O', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d267c0>, 'atom_type_one_hot': array([0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26820>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26880>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d268e0>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26940>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26a00>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26a60>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26ac0>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 8, 'element': 'O', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26b20>, 'atom_type_one_hot': array([0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 8, 'element': 'O', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26b80>, 'atom_type_one_hot': array([0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0])}\n"
+     ]
+    }
+   ],
+   "source": [
+    "# Node metadata\n",
+    "for n, d in graph.nodes(data=True):\n",
+    "    print(d)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 6,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "0 1 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda1c0>}\n",
+      "1 2 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda220>}\n",
+      "1 3 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda280>}\n",
+      "3 4 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda2e0>}\n",
+      "4 5 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda340>}\n",
+      "4 9 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda640>}\n",
+      "5 6 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda3a0>}\n",
+      "6 7 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda400>}\n",
+      "7 8 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda460>}\n",
+      "8 9 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda4c0>}\n",
+      "9 10 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda520>}\n",
+      "10 11 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda580>}\n",
+      "10 12 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda5e0>}\n"
+     ]
+    }
+   ],
+   "source": [
+    "# Edge metadata\n",
+    "for u, v, d in graph.edges(data=True):\n",
+    "    print(u, v, d)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Creating a Molecular Graph from an SDF File"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 7,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Graph named 'long_test' with 20 nodes and 21 edges\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<rdkit.Chem.rdchem.Mol at 0x7fe387c168e0>"
+      ]
+     },
+     "execution_count": 7,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "graph = gm.construct_graph(sdf_path=\"../tests/molecule/test_data/long_test.sdf\", config=config)\n",
+    "print(graph)\n",
+    "nx.draw(graph)\n",
+    "graph.graph[\"rdmol\"]"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Creating a Molecular Graph from a Mol2 File "
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 8,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "Graph named 'short_test' with 3 nodes and 2 edges\n"
+     ]
+    },
+    {
+     "data": {
+      "image/png": "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",
+      "text/plain": [
+       "<rdkit.Chem.rdchem.Mol at 0x7fe387b50fa0>"
+      ]
+     },
+     "execution_count": 8,
+     "metadata": {},
+     "output_type": "execute_result"
+    },
+    {
+     "data": {
+      "image/png": "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",
+      "text/plain": [
+       "<Figure size 432x288 with 1 Axes>"
+      ]
+     },
+     "metadata": {},
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "graph = gm.construct_graph(mol2_path=\"../tests/molecule/test_data/short_test.mol2\", config=config)\n",
+    "print(graph)\n",
+    "nx.draw(graph)\n",
+    "graph.graph[\"rdmol\"]"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "## Adding Features\n",
+    "Graphein can add lots of features to graph nodes and edges from RDKit\n",
+    "\n",
+    "### Node Features\n",
+    "\n",
+    "\n"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 9,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "INFO:graphein.molecule.edges.distance:Found: 3 KNN edges\n",
+      "INFO:graphein.molecule.edges.distance:Found: 9 distance edges for radius 5.0\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe39137e340>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]), 'mass': 12.011, 'degree': 1, 'total_degree': 4, 'total_valence': 4, 'explicit_valence': 4, 'implicit_valence': 0, 'num_explicit_h': 3, 'num_implicit_h': 0, 'total_num_h': 3, 'num_radical_electrons': 0, 'formal_charge': 0, 'hybridization': rdkit.Chem.rdchem.HybridizationType.SP3, 'is_aromatic': False, 'is_isotope': 0, 'is_ring': False, 'chiral_tag': rdkit.Chem.rdchem.ChiralType.CHI_UNSPECIFIED, 'is_ring_5': False, 'is_ring_7': False}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387c6f6a0>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]), 'mass': 12.011, 'degree': 2, 'total_degree': 4, 'total_valence': 4, 'explicit_valence': 4, 'implicit_valence': 0, 'num_explicit_h': 2, 'num_implicit_h': 0, 'total_num_h': 2, 'num_radical_electrons': 0, 'formal_charge': 0, 'hybridization': rdkit.Chem.rdchem.HybridizationType.SP3, 'is_aromatic': False, 'is_isotope': 0, 'is_ring': False, 'chiral_tag': rdkit.Chem.rdchem.ChiralType.CHI_UNSPECIFIED, 'is_ring_5': False, 'is_ring_7': False}\n",
+      "{'atomic_num': 7, 'element': 'N', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387c6f5e0>, 'atom_type_one_hot': array([0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0]), 'mass': 14.007, 'degree': 1, 'total_degree': 3, 'total_valence': 3, 'explicit_valence': 3, 'implicit_valence': 0, 'num_explicit_h': 2, 'num_implicit_h': 0, 'total_num_h': 2, 'num_radical_electrons': 0, 'formal_charge': 0, 'hybridization': rdkit.Chem.rdchem.HybridizationType.SP3, 'is_aromatic': False, 'is_isotope': 0, 'is_ring': False, 'chiral_tag': rdkit.Chem.rdchem.ChiralType.CHI_UNSPECIFIED, 'is_ring_5': False, 'is_ring_7': False}\n"
+     ]
+    }
+   ],
+   "source": [
+    "from functools import partial\n",
+    "\n",
+    "config = gm.MoleculeGraphConfig(\n",
+    "    node_metadata_functions=[\n",
+    "        gm.atom_type_one_hot,\n",
+    "        gm.atomic_mass,\n",
+    "        gm.degree,\n",
+    "        gm.total_degree,\n",
+    "        gm.total_valence, \n",
+    "        gm.explicit_valence,\n",
+    "        gm.implicit_valence,\n",
+    "        gm.num_explicit_h,\n",
+    "        gm.num_implicit_h,\n",
+    "        gm.total_num_h,\n",
+    "        gm.num_radical_electrons,\n",
+    "        gm.formal_charge,\n",
+    "        gm.hybridization,\n",
+    "        gm.is_aromatic,\n",
+    "        gm.is_isotope,\n",
+    "        gm.is_ring,\n",
+    "        gm.chiral_tag,\n",
+    "        partial(gm.is_ring_size, ring_size=5),\n",
+    "        partial(gm.is_ring_size, ring_size=7)\n",
+    "    ]\n",
+    ")\n",
+    "graph = gm.construct_graph(mol2_path=\"../tests/molecule/test_data/short_test.mol2\", config=config)\n",
+    "\n",
+    "for n, d in graph.nodes(data=True):\n",
+    "    print(d)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Edge Features"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "INFO:graphein.molecule.edges.distance:Found: 3 KNN edges\n",
+      "INFO:graphein.molecule.edges.distance:Found: 9 distance edges for radius 5.0\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 0-0\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 0-2\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 1-1\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 2-2\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 0-0\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 0-2\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 1-1\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 2-2\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 0-0\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 0-2\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 1-1\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 2-2\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 0-0\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 0-2\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 1-1\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 2-2\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 0-0\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 0-2\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 1-1\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 2-2\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 0-0\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 0-2\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 1-1\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 2-2\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 0-0\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 0-2\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 1-1\n",
+      "DEBUG:graphein.molecule.features.edges.bonds:No RDKit bond found on edge 2-2\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "{'kind': {'fully_connected', 'distance_threshold'}, 'bond_type': None, 'aromatic': None, 'conjugated': None, 'ring': None, 'bond_stereo': None, 'ring_size_5': None, 'ring_size_7': None}\n",
+      "{'kind': {'fully_connected', 'distance_threshold', 'bond', 'k_nn_1'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe3870d2ca0>, 'bond_type': rdkit.Chem.rdchem.BondType.SINGLE, '_aromatic': False, 'conjugated': False, 'ring': False, 'bond_stereo': rdkit.Chem.rdchem.BondStereo.STEREONONE, 'ring_size_5': False, 'ring_size_7': False}\n",
+      "{'kind': {'fully_connected', 'distance_threshold'}, 'bond_type': None, 'aromatic': None, 'conjugated': None, 'ring': None, 'bond_stereo': None, 'ring_size_5': None, 'ring_size_7': None}\n",
+      "{'kind': {'fully_connected', 'distance_threshold'}, 'bond_type': None, 'aromatic': None, 'conjugated': None, 'ring': None, 'bond_stereo': None, 'ring_size_5': None, 'ring_size_7': None}\n",
+      "{'kind': {'fully_connected', 'distance_threshold', 'bond', 'k_nn_1'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe3870d2dc0>, 'bond_type': rdkit.Chem.rdchem.BondType.SINGLE, '_aromatic': False, 'conjugated': False, 'ring': False, 'bond_stereo': rdkit.Chem.rdchem.BondStereo.STEREONONE, 'ring_size_5': False, 'ring_size_7': False}\n",
+      "{'kind': {'fully_connected', 'distance_threshold'}, 'bond_type': None, 'aromatic': None, 'conjugated': None, 'ring': None, 'bond_stereo': None, 'ring_size_5': None, 'ring_size_7': None}\n"
+     ]
+    }
+   ],
+   "source": [
+    "config = gm.MoleculeGraphConfig(\n",
+    "    edge_metadata_functions=[\n",
+    "        gm.add_bond_type,\n",
+    "        gm.bond_is_aromatic,\n",
+    "        gm.bond_is_conjugated,\n",
+    "        gm.bond_is_in_ring,\n",
+    "        gm.bond_stereo,\n",
+    "        partial(gm.bond_is_in_ring_size, ring_size=5),\n",
+    "        partial(gm.bond_is_in_ring_size, ring_size=7)\n",
+    "    ]\n",
+    ")\n",
+    "graph = gm.construct_graph(mol2_path=\"../tests/molecule/test_data/short_test.mol2\", config=config)\n",
+    "\n",
+    "for u, v, d in graph.edges(data=True):\n",
+    "    print(d)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "metadata": {},
+   "source": [
+    "### Graph Features"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 13,
+   "metadata": {},
+   "outputs": [
+    {
+     "name": "stderr",
+     "output_type": "stream",
+     "text": [
+      "INFO:graphein.molecule.edges.distance:Found: 3 KNN edges\n",
+      "INFO:graphein.molecule.edges.distance:Found: 9 distance edges for radius 5.0\n"
+     ]
+    },
+    {
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "{'name': 'short_test', 'rdmol': <rdkit.Chem.rdchem.Mol object at 0x7fe3870d22e0>, 'coords': array([[ 0.9862, -0.257 , -0.1905],\n",
+      "       [-0.2052,  0.2236,  0.6206],\n",
+      "       [-1.4201,  0.2357, -0.1847]]), 'smiles': 'CCN', 'config': MoleculeGraphConfig(verbose=False, add_hs=False, edge_construction_functions=[<function add_fully_connected_edges at 0x7fe3895cf280>, <function add_k_nn_edges at 0x7fe3895cf310>, <function add_distance_threshold at 0x7fe3895cf1f0>, <function add_atom_bonds at 0x7fe3895ccdc0>], node_metadata_functions=[<function atom_type_one_hot at 0x7fe3895cf430>], edge_metadata_functions=None, graph_metadata_functions=[<function mol_descriptors at 0x7fe3895cf940>]), 'MaxEStateIndex': 4.847222222222222, 'MinEStateIndex': 0.75, 'MaxAbsEStateIndex': 4.847222222222222, 'MinAbsEStateIndex': 0.75, 'qed': 0.40623709538988323, 'MolWt': 45.084999999999994, 'HeavyAtomMolWt': 38.028999999999996, 'ExactMolWt': 45.057849223999995, 'NumValenceElectrons': 20, 'NumRadicalElectrons': 0, 'MaxPartialCharge': -0.010576265829206462, 'MinPartialCharge': -0.3307484184390755, 'MaxAbsPartialCharge': 0.3307484184390755, 'MinAbsPartialCharge': 0.010576265829206462, 'FpDensityMorgan1': 2.0, 'FpDensityMorgan2': 2.0, 'FpDensityMorgan3': 2.0, 'BCUT2D_MWHI': 14.489350501685236, 'BCUT2D_MWLOW': 10.840990590774261, 'BCUT2D_CHGHI': 1.3223586846717188, 'BCUT2D_CHGLO': -1.5255036511694584, 'BCUT2D_LOGPHI': 1.1976547781828029, 'BCUT2D_LOGPLOW': -1.871495321468652, 'BCUT2D_MRHI': 3.9983956644101193, 'BCUT2D_MRLOW': 1.1354269715888405, 'BalabanJ': 1.6329931618554523, 'BertzCT': 2.7548875021634682, 'Chi0': 2.7071067811865475, 'Chi0n': 2.284457050376173, 'Chi0v': 2.284457050376173, 'Chi1': 1.4142135623730951, 'Chi1n': 1.1153550716504106, 'Chi1v': 1.1153550716504106, 'Chi2n': 0.408248290463863, 'Chi2v': 0.408248290463863, 'Chi3n': 0.0, 'Chi3v': 0.0, 'Chi4n': 0.0, 'Chi4v': 0.0, 'HallKierAlpha': -0.04, 'Ipc': 2.7548875021634682, 'Kappa1': 2.9600000000000004, 'Kappa2': 1.96, 'Kappa3': 1.9600000000000033, 'LabuteASA': 20.444083839238875, 'PEOE_VSA1': 5.733667477162185, 'PEOE_VSA10': 0.0, 'PEOE_VSA11': 0.0, 'PEOE_VSA12': 0.0, 'PEOE_VSA13': 0.0, 'PEOE_VSA14': 0.0, 'PEOE_VSA2': 0.0, 'PEOE_VSA3': 0.0, 'PEOE_VSA4': 0.0, 'PEOE_VSA5': 0.0, 'PEOE_VSA6': 6.923737199690624, 'PEOE_VSA7': 6.544756405912575, 'PEOE_VSA8': 0.0, 'PEOE_VSA9': 0.0, 'SMR_VSA1': 0.0, 'SMR_VSA10': 0.0, 'SMR_VSA2': 0.0, 'SMR_VSA3': 0.0, 'SMR_VSA4': 5.733667477162185, 'SMR_VSA5': 6.923737199690624, 'SMR_VSA6': 6.544756405912575, 'SMR_VSA7': 0.0, 'SMR_VSA8': 0.0, 'SMR_VSA9': 0.0, 'SlogP_VSA1': 5.733667477162185, 'SlogP_VSA10': 0.0, 'SlogP_VSA11': 0.0, 'SlogP_VSA12': 0.0, 'SlogP_VSA2': 6.544756405912575, 'SlogP_VSA3': 0.0, 'SlogP_VSA4': 0.0, 'SlogP_VSA5': 6.923737199690624, 'SlogP_VSA6': 0.0, 'SlogP_VSA7': 0.0, 'SlogP_VSA8': 0.0, 'SlogP_VSA9': 0.0, 'TPSA': 26.02, 'EState_VSA1': 0.0, 'EState_VSA10': 0.0, 'EState_VSA11': 0.0, 'EState_VSA2': 0.0, 'EState_VSA3': 0.0, 'EState_VSA4': 6.544756405912575, 'EState_VSA5': 0.0, 'EState_VSA6': 0.0, 'EState_VSA7': 6.923737199690624, 'EState_VSA8': 0.0, 'EState_VSA9': 5.733667477162185, 'VSA_EState1': 0.0, 'VSA_EState10': 0.0, 'VSA_EState2': 0.0, 'VSA_EState3': 0.0, 'VSA_EState4': 4.847222222222222, 'VSA_EState5': 0.0, 'VSA_EState6': 0.0, 'VSA_EState7': 0.0, 'VSA_EState8': 2.6527777777777777, 'VSA_EState9': 0.0, 'FractionCSP3': 1.0, 'HeavyAtomCount': 3, 'NHOHCount': 2, 'NOCount': 1, 'NumAliphaticCarbocycles': 0, 'NumAliphaticHeterocycles': 0, 'NumAliphaticRings': 0, 'NumAromaticCarbocycles': 0, 'NumAromaticHeterocycles': 0, 'NumAromaticRings': 0, 'NumHAcceptors': 1, 'NumHDonors': 1, 'NumHeteroatoms': 1, 'NumRotatableBonds': 0, 'NumSaturatedCarbocycles': 0, 'NumSaturatedHeterocycles': 0, 'NumSaturatedRings': 0, 'RingCount': 0, 'MolLogP': -0.03499999999999981, 'MolMR': 14.728400000000002, 'fr_Al_COO': 0, 'fr_Al_OH': 0, 'fr_Al_OH_noTert': 0, 'fr_ArN': 0, 'fr_Ar_COO': 0, 'fr_Ar_N': 0, 'fr_Ar_NH': 0, 'fr_Ar_OH': 0, 'fr_COO': 0, 'fr_COO2': 0, 'fr_C_O': 0, 'fr_C_O_noCOO': 0, 'fr_C_S': 0, 'fr_HOCCN': 0, 'fr_Imine': 0, 'fr_NH0': 0, 'fr_NH1': 0, 'fr_NH2': 1, 'fr_N_O': 0, 'fr_Ndealkylation1': 0, 'fr_Ndealkylation2': 0, 'fr_Nhpyrrole': 0, 'fr_SH': 0, 'fr_aldehyde': 0, 'fr_alkyl_carbamate': 0, 'fr_alkyl_halide': 0, 'fr_allylic_oxid': 0, 'fr_amide': 0, 'fr_amidine': 0, 'fr_aniline': 0, 'fr_aryl_methyl': 0, 'fr_azide': 0, 'fr_azo': 0, 'fr_barbitur': 0, 'fr_benzene': 0, 'fr_benzodiazepine': 0, 'fr_bicyclic': 0, 'fr_diazo': 0, 'fr_dihydropyridine': 0, 'fr_epoxide': 0, 'fr_ester': 0, 'fr_ether': 0, 'fr_furan': 0, 'fr_guanido': 0, 'fr_halogen': 0, 'fr_hdrzine': 0, 'fr_hdrzone': 0, 'fr_imidazole': 0, 'fr_imide': 0, 'fr_isocyan': 0, 'fr_isothiocyan': 0, 'fr_ketone': 0, 'fr_ketone_Topliss': 0, 'fr_lactam': 0, 'fr_lactone': 0, 'fr_methoxy': 0, 'fr_morpholine': 0, 'fr_nitrile': 0, 'fr_nitro': 0, 'fr_nitro_arom': 0, 'fr_nitro_arom_nonortho': 0, 'fr_nitroso': 0, 'fr_oxazole': 0, 'fr_oxime': 0, 'fr_para_hydroxylation': 0, 'fr_phenol': 0, 'fr_phenol_noOrthoHbond': 0, 'fr_phos_acid': 0, 'fr_phos_ester': 0, 'fr_piperdine': 0, 'fr_piperzine': 0, 'fr_priamide': 0, 'fr_prisulfonamd': 0, 'fr_pyridine': 0, 'fr_quatN': 0, 'fr_sulfide': 0, 'fr_sulfonamd': 0, 'fr_sulfone': 0, 'fr_term_acetylene': 0, 'fr_tetrazole': 0, 'fr_thiazole': 0, 'fr_thiocyan': 0, 'fr_thiophene': 0, 'fr_unbrch_alkane': 0, 'fr_urea': 0}\n"
+     ]
+    }
+   ],
+   "source": [
+    "config = gm.MoleculeGraphConfig(\n",
+    "    graph_metadata_functions=[\n",
+    "        gm.mol_descriptors\n",
+    "    ]\n",
+    ")\n",
+    "graph = gm.construct_graph(mol2_path=\"../tests/molecule/test_data/short_test.mol2\", config=config)\n",
+    "\n",
+    "print(graph.graph)"
+   ]
+  }
+ ],
+ "metadata": {
+  "interpreter": {
+   "hash": "0ab7f988027852efc1ebacd06db3f130eb65d2a20cb6a366311359132c20a952"
+  },
+  "kernelspec": {
+   "display_name": "Python 3.8.13 ('graphein')",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.8.13"
+  },
+  "orig_nbformat": 4
+ },
+ "nbformat": 4,
+ "nbformat_minor": 2
+}

From bb62ea6d0d7e08e2a9a9cdd9ff7971cbc51b7e31 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 18:12:01 +0100
Subject: [PATCH 31/51] add molecule tutorial to docs

---
 docs/source/index.rst                          | 1 +
 docs/source/molecule_notebooks.rst             | 8 ++++++++
 docs/source/notebooks/molecule_tutorial.nblink | 3 +++
 3 files changed, 12 insertions(+)
 create mode 100644 docs/source/molecule_notebooks.rst
 create mode 100644 docs/source/notebooks/molecule_tutorial.nblink

diff --git a/docs/source/index.rst b/docs/source/index.rst
index d2e85622b..e3b28398d 100644
--- a/docs/source/index.rst
+++ b/docs/source/index.rst
@@ -34,6 +34,7 @@ The repository can be found at `a-r-j/graphein <https://www.github.com/a-r-j/gra
    :caption: Tutorials
 
    protein_notebooks
+   molecule_notebooks
    rna_notebooks
    ppi_notebooks
    grn_notebooks
diff --git a/docs/source/molecule_notebooks.rst b/docs/source/molecule_notebooks.rst
new file mode 100644
index 000000000..6bcc0b0e2
--- /dev/null
+++ b/docs/source/molecule_notebooks.rst
@@ -0,0 +1,8 @@
+==============
+PPI Networks
+==============
+.. toctree::
+    :maxdepth: 2
+    :glob:
+
+    notebooks/molecule_tutorial.nblink
\ No newline at end of file
diff --git a/docs/source/notebooks/molecule_tutorial.nblink b/docs/source/notebooks/molecule_tutorial.nblink
new file mode 100644
index 000000000..affc012de
--- /dev/null
+++ b/docs/source/notebooks/molecule_tutorial.nblink
@@ -0,0 +1,3 @@
+{
+    "path": "../../../notebooks/molecule_tutorial.ipynb"
+}
\ No newline at end of file

From 5a52f9c4df3793f2507d88187648907b04f9e19f Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Fri, 15 Apr 2022 18:19:15 +0100
Subject: [PATCH 32/51] update path to config parser utils

---
 tests/utils/test_yml_parser.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/utils/test_yml_parser.py b/tests/utils/test_yml_parser.py
index 2c43853b7..02d40f633 100644
--- a/tests/utils/test_yml_parser.py
+++ b/tests/utils/test_yml_parser.py
@@ -15,7 +15,7 @@
     expasy_protein_scale,
     meiler_embedding,
 )
-from graphein.utils.config import parse_config
+from graphein.utils.config_parser import parse_config
 
 DATA_PATH = Path(__file__).resolve().parent
 

From 78aa7444058f7c75b1fa9b1fcaf7aa2e5462e793 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Sat, 16 Apr 2022 16:00:32 +0100
Subject: [PATCH 33/51] add additional molecular graph tests

---
 tests/molecule/test_graphs.py | 148 ++++++++++++++++++++++++++++------
 1 file changed, 123 insertions(+), 25 deletions(-)

diff --git a/tests/molecule/test_graphs.py b/tests/molecule/test_graphs.py
index 67eac25b7..c3c4393bf 100644
--- a/tests/molecule/test_graphs.py
+++ b/tests/molecule/test_graphs.py
@@ -1,43 +1,141 @@
+"""Tests for molecular graph construction"""
+
 from pathlib import Path
 
+import networkx as nx
+import numpy as np
+
 from graphein.molecule.config import MoleculeGraphConfig
 from graphein.molecule.graphs import construct_graph
+from graphein.utils.utils import import_message
+
+try:
+    import rdkit
+except ImportError:
+    import_message("graphein.molecule.graphs", "rdkit", "rdkit", True)
 
 config = MoleculeGraphConfig()
 
 
+LONG_SDF = str(
+    (Path(__file__).parent / "test_data" / "long_test.sdf").resolve()
+)
+SHORT_MOL2 = str(
+    (Path(__file__).parent / "test_data" / "short_test.mol2").resolve()
+)
+SMILES = "N[C@H](CCCc1ccc(N(CCCl)CCCl)cc1)C(=O)O"
+LONG_PDB = str(
+    (Path(__file__).parent / "test_data" / "long_test.pdb").resolve()
+)
+
+
 def test_generate_graph_sdf():
-    g = construct_graph(
-        config=config,
-        sdf_path=str(
-            (Path(__file__).parent / "test_data" / "long_test.sdf").resolve()
-        ),
-    )
-    return g
+    """Tests graph construction from an SDF file."""
+    g = construct_graph(config=config, sdf_path=LONG_SDF)
+
+    assert isinstance(g, nx.Graph), f"{g} is not a graph"
+
+    assert g.graph["name"] == "long_test"
+
+    # Check nodes
+    for n, d in g.nodes(data=True):
+        assert isinstance(
+            d["atomic_num"], int
+        ), f"{n} atomic_num is not an int"
+        assert isinstance(d["element"], str), f"{n} element is not a string"
+        assert isinstance(
+            d["rdmol_atom"], rdkit.Chem.rdchem.Atom
+        ), f"{n} rdmol_atom is not an rdmol.Atom"
+        assert isinstance(
+            d["atom_type_one_hot"], np.ndarray
+        ), f"{n} atom_type_one_hot is not a numpy array"
+        assert (
+            sum(d["atom_type_one_hot"]) == 1
+        ), f"{n} atom_type_one_hot is not a one-hot vector"
 
 
 def test_generate_graph_smiles():
-    g = construct_graph(
-        config=config, smiles="N[C@H](CCCc1ccc(N(CCCl)CCCl)cc1)C(=O)O"
-    )
-    return g
+    """Tests graph construction from a SMILES string."""
+    g = construct_graph(config=config, smiles=SMILES)
+    assert g.graph["name"] == SMILES
+
+    # Check nodes
+    for n, d in g.nodes(data=True):
+        assert isinstance(
+            d["atomic_num"], int
+        ), f"{n} atomic_num is not an int"
+        assert isinstance(d["element"], str), f"{n} element is not a string"
+        assert isinstance(
+            d["rdmol_atom"], rdkit.Chem.rdchem.Atom
+        ), f"{n} rdmol_atom is not an rdmol.Atom"
+        assert isinstance(
+            d["atom_type_one_hot"], np.ndarray
+        ), f"{n} atom_type_one_hot is not a numpy array"
+        assert (
+            sum(d["atom_type_one_hot"]) == 1
+        ), f"{n} atom_type_one_hot is not a one-hot vector"
+
+    # Check edges
+    for u, v, d in g.edges(data=True):
+        assert d["kind"] == {"bond"}, f"{u}-{v} kind is not bond"
+        assert isinstance(
+            d["bond"], rdkit.Chem.rdchem.Bond
+        ), f"edge {u}-{v} does not have an RDKit bond associated with it."
 
 
 def test_generate_graph_mol2():
-    g = construct_graph(
-        config=config,
-        mol2_path=str(
-            (Path(__file__).parent / "test_data" / "short_test.mol2").resolve()
-        ),
-    )
-    return g
+    """Tests graph construction from a Mol2 file."""
+    g = construct_graph(config=config, mol2_path=SHORT_MOL2)
+    assert g.graph["name"] == "short_test"
+
+    # Check nodes
+    for n, d in g.nodes(data=True):
+        assert isinstance(
+            d["atomic_num"], int
+        ), f"{n} atomic_num is not an int"
+        assert isinstance(d["element"], str), f"{n} element is not a string"
+        assert isinstance(
+            d["rdmol_atom"], rdkit.Chem.rdchem.Atom
+        ), f"{n} rdmol_atom is not an rdmol.Atom"
+        assert isinstance(
+            d["atom_type_one_hot"], np.ndarray
+        ), f"{n} atom_type_one_hot is not a numpy array"
+        assert (
+            sum(d["atom_type_one_hot"]) == 1
+        ), f"{n} atom_type_one_hot is not a one-hot vector"
+
+    # Check edges
+    for u, v, d in g.edges(data=True):
+        assert d["kind"] == {"bond"}, f"{u}-{v} kind is not bond"
+        assert isinstance(
+            d["bond"], rdkit.Chem.rdchem.Bond
+        ), f"edge {u}-{v} does not have an RDKit bond associated with it."
 
 
 def test_generate_graph_pdb():
-    g = construct_graph(
-        config=config,
-        pdb_path=str(
-            (Path(__file__).parent / "test_data" / "long_test.pdb").resolve()
-        ),
-    )
-    return g
+    """Tests graph construction from a PDB file."""
+    g = construct_graph(config=config, pdb_path=LONG_PDB)
+    assert g.graph["name"] == "long_test"
+
+    # Check nodes
+    for n, d in g.nodes(data=True):
+        assert isinstance(
+            d["atomic_num"], int
+        ), f"{n} atomic_num is not an int"
+        assert isinstance(d["element"], str), f"{n} element is not a string"
+        assert isinstance(
+            d["rdmol_atom"], rdkit.Chem.rdchem.Atom
+        ), f"{n} rdmol_atom is not an rdmol.Atom"
+        assert isinstance(
+            d["atom_type_one_hot"], np.ndarray
+        ), f"{n} atom_type_one_hot is not a numpy array"
+        assert (
+            sum(d["atom_type_one_hot"]) == 1
+        ), f"{n} atom_type_one_hot is not a one-hot vector"
+
+    # Check edges
+    for u, v, d in g.edges(data=True):
+        assert d["kind"] == {"bond"}, f"{u}-{v} kind is not bond"
+        assert isinstance(
+            d["bond"], rdkit.Chem.rdchem.Bond
+        ), f"edge {u}-{v} does not have an RDKit bond associated with it."

From a48483db2419569a86a4ca603d7d2055b31a8afd Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Sun, 17 Apr 2022 12:59:07 +0100
Subject: [PATCH 34/51] add plotting functions for molecules

---
 graphein/molecule/__init__.py      |   1 +
 graphein/molecule/edges/atomic.py  |   6 ++
 graphein/molecule/graphs.py        |   8 +-
 graphein/molecule/visualisation.py | 154 +++++++++++++++++++++++++++++
 4 files changed, 167 insertions(+), 2 deletions(-)
 create mode 100644 graphein/molecule/visualisation.py

diff --git a/graphein/molecule/__init__.py b/graphein/molecule/__init__.py
index 30cd1d32c..69cf16c4f 100644
--- a/graphein/molecule/__init__.py
+++ b/graphein/molecule/__init__.py
@@ -3,3 +3,4 @@
 from .edges import *
 from .features import *
 from .graphs import *
+from .visualisation import *
diff --git a/graphein/molecule/edges/atomic.py b/graphein/molecule/edges/atomic.py
index bca553a6b..9e0aba519 100644
--- a/graphein/molecule/edges/atomic.py
+++ b/graphein/molecule/edges/atomic.py
@@ -22,6 +22,12 @@ def add_atom_bonds(G: nx.Graph) -> nx.Graph:
     """
     for bond in G.graph["rdmol"].GetBonds():
         n1, n2 = bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()
+        sym1, sym2 = (
+            G.graph["rdmol"].GetAtoms()[n1].GetSymbol(),
+            G.graph["rdmol"].GetAtoms()[n2].GetSymbol(),
+        )
+        n1 = sym1 + str(n1)
+        n2 = sym2 + str(n2)
         if G.has_edge(n1, n2):
             G.edges[n1, n2]["kind"].add("bond")
             G.edges[n1, n2]["bond"] = bond
diff --git a/graphein/molecule/graphs.py b/graphein/molecule/graphs.py
index 54b72476c..cf6f978ec 100644
--- a/graphein/molecule/graphs.py
+++ b/graphein/molecule/graphs.py
@@ -63,12 +63,16 @@ def add_nodes_to_graph(
     :returns: nx.Graph with nodes added.
     :rtype: nx.Graph
     """
-    for atom in G.graph["rdmol"].GetAtoms():
+    for i, atom in enumerate(G.graph["rdmol"].GetAtoms()):
+        coords = (
+            G.graph["coords"][i] if G.graph["coords"] is not None else None
+        )
         G.add_node(
-            atom.GetIdx(),
+            atom.GetSymbol() + str(atom.GetIdx()),
             atomic_num=atom.GetAtomicNum(),
             element=atom.GetSymbol(),
             rdmol_atom=atom,
+            coords=coords,
         )
 
     if verbose:
diff --git a/graphein/molecule/visualisation.py b/graphein/molecule/visualisation.py
new file mode 100644
index 000000000..9ccbfda2a
--- /dev/null
+++ b/graphein/molecule/visualisation.py
@@ -0,0 +1,154 @@
+"""Functions for featurising Small Molecule Graphs.
+
+Plotting functions for molecules wrap the methods defined on protein graphs and provide sane defaults.
+"""
+# %%
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+from typing import Optional, Tuple
+
+import matplotlib.pyplot as plt
+import networkx as nx
+
+from graphein.protein.visualisation import (
+    plot_protein_structure_graph,
+    plotly_protein_structure_graph,
+)
+
+
+def plot_molecular_graph(
+    G: nx.Graph,
+    angle: int = 30,
+    plot_title: Optional[str] = None,
+    figsize: Tuple[int, int] = (10, 7),
+    node_alpha: float = 0.7,
+    node_size_min: float = 20.0,
+    node_size_multiplier: float = 1,
+    label_node_ids: bool = True,
+    node_colour_map: plt.cm = plt.cm.plasma,
+    edge_color_map: plt.cm = plt.cm.plasma,
+    colour_nodes_by: str = "element",
+    colour_edges_by: str = "kind",
+    edge_alpha: float = 0.5,
+    plot_style: str = "ggplot",
+    out_path: Optional[str] = None,
+    out_format: str = ".png",
+) -> Axes3D:
+    """
+    Plots molecular graph in ``Axes3D``.
+
+    :param G:  nx.Graph Protein Structure graph to plot.
+    :type G: nx.Graph
+    :param angle:  View angle. Defaults to ``30``.
+    :type angle: int
+    :param plot_title: Title of plot. Defaults to ``None``.
+    :type plot_title: str, optional
+    :param figsize: Size of figure, defaults to ``(10, 7)``.
+    :type figsize: Tuple[int, int]
+    :param node_alpha: Controls node transparency, defaults to ``0.7``.
+    :type node_alpha: float
+    :param node_size_min: Specifies node minimum size, defaults to ``20``.
+    :type node_size_min: float
+    :param node_size_multiplier: Scales node size by a constant. Node sizes reflect degree. Defaults to ``20``.
+    :type node_size_multiplier: float
+    :param label_node_ids: bool indicating whether or not to plot ``node_id`` labels. Defaults to ``True``.
+    :type label_node_ids: bool
+    :param node_colour_map: colour map to use for nodes. Defaults to ``plt.cm.plasma``.
+    :type node_colour_map: plt.cm
+    :param edge_color_map: colour map to use for edges. Defaults to ``plt.cm.plasma``.
+    :type edge_color_map: plt.cm
+    :param colour_nodes_by: Specifies how to colour nodes. ``"degree"``, ``"seq_position"`` or a node feature.
+    :type colour_nodes_by: str
+    :param colour_edges_by: Specifies how to colour edges. Currently only ``"kind"`` is supported.
+    :type colour_edges_by: str
+    :param edge_alpha: Controls edge transparency. Defaults to ``0.5``.
+    :type edge_alpha: float
+    :param plot_style: matplotlib style sheet to use. Defaults to ``"ggplot"``.
+    :type plot_style: str
+    :param out_path: If not none, writes plot to this location. Defaults to ``None`` (does not save).
+    :type out_path: str, optional
+    :param out_format: Fileformat to use for plot
+    :type out_format: str
+    :return: matplotlib Axes3D object.
+    :rtype: Axes3D
+    """
+
+    return plot_protein_structure_graph(
+        G,
+        angle=angle,
+        plot_title=plot_title,
+        figsize=figsize,
+        node_alpha=node_alpha,
+        node_size_min=node_size_min,
+        node_size_multiplier=node_size_multiplier,
+        label_node_ids=label_node_ids,
+        node_colour_map=node_colour_map,
+        edge_color_map=edge_color_map,
+        colour_nodes_by=colour_nodes_by,
+        colour_edges_by=colour_edges_by,
+        edge_alpha=edge_alpha,
+        plot_style=plot_style,
+        out_path=out_path,
+        out_format=out_format,
+    )
+
+
+def plotly_molecular_graph(
+    g: nx.Graph,
+    plot_title: Optional[str] = None,
+    figsize: Tuple[int, int] = (620, 650),
+    node_alpha: float = 0.7,
+    node_size_min: float = 20,
+    node_size_multiplier: float = 1.0,
+    label_node_ids: bool = True,
+    node_color_map: plt.cm = plt.cm.plasma,
+    edge_color_map: plt.cm = plt.cm.plasma,
+    colour_nodes_by: str = "element",
+    colour_edges_by: str = "kind",
+) -> go.Figure:
+    """
+    Plots molecular graph using plotly.
+
+    :param G:  nx.Graph Molecular graph to plot
+    :type G: nx.Graph
+    :param plot_title: Title of plot, defaults to ``None``.
+    :type plot_title: str, optional
+    :param figsize: Size of figure, defaults to ``(620, 650)``.
+    :type figsize: Tuple[int, int]
+    :param node_alpha: Controls node transparency, defaults to ``0.7``.
+    :type node_alpha: float
+    :param node_size_min: Specifies node minimum size. Defaults to ``20.0``.
+    :type node_size_min: float
+    :param node_size_multiplier: Scales node size by a constant. Node sizes reflect degree. Defaults to ``1.0``.
+    :type node_size_multiplier: float
+    :param label_node_ids: bool indicating whether or not to plot ``node_id`` labels. Defaults to ``True``.
+    :type label_node_ids: bool
+    :param node_colour_map: colour map to use for nodes. Defaults to ``plt.cm.plasma``.
+    :type node_colour_map: plt.cm
+    :param edge_color_map: colour map to use for edges. Defaults to ``plt.cm.plasma``.
+    :type edge_color_map: plt.cm
+    :param colour_nodes_by: Specifies how to colour nodes. ``"degree"``, or a node feature. Defaults to ``"element"``.
+    :type colour_edges_by: str
+    :param colour_edges_by: Specifies how to colour edges. Currently only ``"kind"`` is supported.
+    :type colour_nodes_by: str
+    :returns: Plotly Graph Objects plot
+    :rtype: go.Figure
+    """
+    return plotly_protein_structure_graph(
+        g,
+        plot_title=plot_title,
+        figsize=figsize,
+        node_alpha=node_alpha,
+        node_size_min=node_size_min,
+        node_size_multiplier=node_size_multiplier,
+        label_node_ids=label_node_ids,
+        node_colour_map=node_color_map,
+        edge_color_map=edge_color_map,
+        colour_nodes_by=colour_nodes_by,
+        colour_edges_by=colour_edges_by,
+    )

From 2cfd8e8a78384aef9042056bd651542e6ec42fc5 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Sun, 17 Apr 2022 13:02:49 +0100
Subject: [PATCH 35/51] update mol tutorial with 3d plots

---
 notebooks/molecule_tutorial.ipynb | 2900 ++++++++++++++++++++++++++++-
 1 file changed, 2844 insertions(+), 56 deletions(-)

diff --git a/notebooks/molecule_tutorial.ipynb b/notebooks/molecule_tutorial.ipynb
index 15d16fa72..a0bf986d7 100644
--- a/notebooks/molecule_tutorial.ipynb
+++ b/notebooks/molecule_tutorial.ipynb
@@ -62,7 +62,7 @@
     {
      "data": {
       "text/plain": [
-       "MoleculeGraphConfig(verbose=False, add_hs=False, edge_construction_functions=[<function add_fully_connected_edges at 0x7fe3895cf280>, <function add_k_nn_edges at 0x7fe3895cf310>, <function add_distance_threshold at 0x7fe3895cf1f0>, <function add_atom_bonds at 0x7fe3895ccdc0>], node_metadata_functions=[<function atom_type_one_hot at 0x7fe3895cf430>], edge_metadata_functions=None, graph_metadata_functions=None)"
+       "MoleculeGraphConfig(verbose=False, add_hs=False, edge_construction_functions=[<function add_fully_connected_edges at 0x7fb305d74280>, <function add_k_nn_edges at 0x7fb305d74310>, <function add_distance_threshold at 0x7fb305d741f0>, <function add_atom_bonds at 0x7fb305d71dc0>], node_metadata_functions=[<function atom_type_one_hot at 0x7fb305d74430>], edge_metadata_functions=None, graph_metadata_functions=None)"
       ]
      },
      "execution_count": 3,
@@ -102,7 +102,7 @@
      "data": {
       "image/png": 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",
       "text/plain": [
-       "<rdkit.Chem.rdchem.Mol at 0x7fe387d266a0>"
+       "<rdkit.Chem.rdchem.Mol at 0x7fb3044cb9a0>"
       ]
      },
      "execution_count": 4,
@@ -111,7 +111,7 @@
     },
     {
      "data": {
-      "image/png": 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",
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",
       "text/plain": [
        "<Figure size 432x288 with 1 Axes>"
       ]
@@ -143,19 +143,19 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26640>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
-      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26700>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
-      "{'atomic_num': 8, 'element': 'O', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26760>, 'atom_type_one_hot': array([0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
-      "{'atomic_num': 8, 'element': 'O', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d267c0>, 'atom_type_one_hot': array([0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
-      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26820>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
-      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26880>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
-      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d268e0>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
-      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26940>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
-      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26a00>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
-      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26a60>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
-      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26ac0>, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
-      "{'atomic_num': 8, 'element': 'O', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26b20>, 'atom_type_one_hot': array([0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
-      "{'atomic_num': 8, 'element': 'O', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fe387d26b80>, 'atom_type_one_hot': array([0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0])}\n"
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fb3044cb640>, 'coords': None, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fb3044cb700>, 'coords': None, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 8, 'element': 'O', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fb3044cb760>, 'coords': None, 'atom_type_one_hot': array([0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 8, 'element': 'O', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fb3044cb7c0>, 'coords': None, 'atom_type_one_hot': array([0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fb3044cb820>, 'coords': None, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fb3044cb880>, 'coords': None, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fb3044cb8e0>, 'coords': None, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fb3044cb940>, 'coords': None, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fb3044cba00>, 'coords': None, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fb3044cba60>, 'coords': None, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 6, 'element': 'C', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fb3044cbac0>, 'coords': None, 'atom_type_one_hot': array([1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 8, 'element': 'O', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fb3044cbb20>, 'coords': None, 'atom_type_one_hot': array([0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0])}\n",
+      "{'atomic_num': 8, 'element': 'O', 'rdmol_atom': <rdkit.Chem.rdchem.Atom object at 0x7fb3044cbb80>, 'coords': None, 'atom_type_one_hot': array([0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0])}\n"
      ]
     }
    ],
@@ -174,19 +174,19 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "0 1 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda1c0>}\n",
-      "1 2 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda220>}\n",
-      "1 3 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda280>}\n",
-      "3 4 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda2e0>}\n",
-      "4 5 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda340>}\n",
-      "4 9 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda640>}\n",
-      "5 6 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda3a0>}\n",
-      "6 7 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda400>}\n",
-      "7 8 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda460>}\n",
-      "8 9 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda4c0>}\n",
-      "9 10 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda520>}\n",
-      "10 11 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda580>}\n",
-      "10 12 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fe387cda5e0>}\n"
+      "C0 C1 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fb30447f1c0>}\n",
+      "C1 O2 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fb30447f220>}\n",
+      "C1 O3 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fb30447f280>}\n",
+      "O3 C4 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fb30447f2e0>}\n",
+      "C4 C5 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fb30447f340>}\n",
+      "C4 C9 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fb30447f640>}\n",
+      "C5 C6 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fb30447f3a0>}\n",
+      "C6 C7 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fb30447f400>}\n",
+      "C7 C8 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fb30447f460>}\n",
+      "C8 C9 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fb30447f4c0>}\n",
+      "C9 C10 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fb30447f520>}\n",
+      "C10 O11 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fb30447f580>}\n",
+      "C10 O12 {'kind': {'bond'}, 'bond': <rdkit.Chem.rdchem.Bond object at 0x7fb30447f5e0>}\n"
      ]
     }
    ],
@@ -200,12 +200,14 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "### Creating a Molecular Graph from an SDF File"
+    "### Creating a Molecular Graph from an SDF File\n",
+    "\n",
+    "As SDFs & Mol2 files provide coordinates, we can draw the graph in 3D."
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": 9,
    "metadata": {},
    "outputs": [
     {
@@ -219,41 +221,1799 @@
      "data": {
       "image/png": 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",
       "text/plain": [
-       "<rdkit.Chem.rdchem.Mol at 0x7fe387c168e0>"
+       "<rdkit.Chem.rdchem.Mol at 0x7fb304047400>"
       ]
      },
-     "execution_count": 7,
+     "execution_count": 9,
      "metadata": {},
      "output_type": "execute_result"
-    },
+    }
+   ],
+   "source": [
+    "graph = gm.construct_graph(sdf_path=\"../tests/molecule/test_data/long_test.sdf\", config=config)\n",
+    "print(graph)\n",
+    "graph.graph[\"rdmol\"]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 10,
+   "metadata": {},
+   "outputs": [
     {
      "data": {
-      "image/png": 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+              "ticks": ""
+             }
+            },
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scatter3d"
+           }
+          ],
+          "scattercarpet": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scattercarpet"
+           }
+          ],
+          "scattergeo": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scattergeo"
+           }
+          ],
+          "scattergl": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scattergl"
+           }
+          ],
+          "scattermapbox": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scattermapbox"
+           }
+          ],
+          "scatterpolar": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scatterpolar"
+           }
+          ],
+          "scatterpolargl": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scatterpolargl"
+           }
+          ],
+          "scatterternary": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scatterternary"
+           }
+          ],
+          "surface": [
+           {
+            "colorbar": {
+             "outlinewidth": 0,
+             "ticks": ""
+            },
+            "colorscale": [
+             [
+              0,
+              "#0d0887"
+             ],
+             [
+              0.1111111111111111,
+              "#46039f"
+             ],
+             [
+              0.2222222222222222,
+              "#7201a8"
+             ],
+             [
+              0.3333333333333333,
+              "#9c179e"
+             ],
+             [
+              0.4444444444444444,
+              "#bd3786"
+             ],
+             [
+              0.5555555555555556,
+              "#d8576b"
+             ],
+             [
+              0.6666666666666666,
+              "#ed7953"
+             ],
+             [
+              0.7777777777777778,
+              "#fb9f3a"
+             ],
+             [
+              0.8888888888888888,
+              "#fdca26"
+             ],
+             [
+              1,
+              "#f0f921"
+             ]
+            ],
+            "type": "surface"
+           }
+          ],
+          "table": [
+           {
+            "cells": {
+             "fill": {
+              "color": "#EBF0F8"
+             },
+             "line": {
+              "color": "white"
+             }
+            },
+            "header": {
+             "fill": {
+              "color": "#C8D4E3"
+             },
+             "line": {
+              "color": "white"
+             }
+            },
+            "type": "table"
+           }
+          ]
+         },
+         "layout": {
+          "annotationdefaults": {
+           "arrowcolor": "#2a3f5f",
+           "arrowhead": 0,
+           "arrowwidth": 1
+          },
+          "autotypenumbers": "strict",
+          "coloraxis": {
+           "colorbar": {
+            "outlinewidth": 0,
+            "ticks": ""
+           }
+          },
+          "colorscale": {
+           "diverging": [
+            [
+             0,
+             "#8e0152"
+            ],
+            [
+             0.1,
+             "#c51b7d"
+            ],
+            [
+             0.2,
+             "#de77ae"
+            ],
+            [
+             0.3,
+             "#f1b6da"
+            ],
+            [
+             0.4,
+             "#fde0ef"
+            ],
+            [
+             0.5,
+             "#f7f7f7"
+            ],
+            [
+             0.6,
+             "#e6f5d0"
+            ],
+            [
+             0.7,
+             "#b8e186"
+            ],
+            [
+             0.8,
+             "#7fbc41"
+            ],
+            [
+             0.9,
+             "#4d9221"
+            ],
+            [
+             1,
+             "#276419"
+            ]
+           ],
+           "sequential": [
+            [
+             0,
+             "#0d0887"
+            ],
+            [
+             0.1111111111111111,
+             "#46039f"
+            ],
+            [
+             0.2222222222222222,
+             "#7201a8"
+            ],
+            [
+             0.3333333333333333,
+             "#9c179e"
+            ],
+            [
+             0.4444444444444444,
+             "#bd3786"
+            ],
+            [
+             0.5555555555555556,
+             "#d8576b"
+            ],
+            [
+             0.6666666666666666,
+             "#ed7953"
+            ],
+            [
+             0.7777777777777778,
+             "#fb9f3a"
+            ],
+            [
+             0.8888888888888888,
+             "#fdca26"
+            ],
+            [
+             1,
+             "#f0f921"
+            ]
+           ],
+           "sequentialminus": [
+            [
+             0,
+             "#0d0887"
+            ],
+            [
+             0.1111111111111111,
+             "#46039f"
+            ],
+            [
+             0.2222222222222222,
+             "#7201a8"
+            ],
+            [
+             0.3333333333333333,
+             "#9c179e"
+            ],
+            [
+             0.4444444444444444,
+             "#bd3786"
+            ],
+            [
+             0.5555555555555556,
+             "#d8576b"
+            ],
+            [
+             0.6666666666666666,
+             "#ed7953"
+            ],
+            [
+             0.7777777777777778,
+             "#fb9f3a"
+            ],
+            [
+             0.8888888888888888,
+             "#fdca26"
+            ],
+            [
+             1,
+             "#f0f921"
+            ]
+           ]
+          },
+          "colorway": [
+           "#636efa",
+           "#EF553B",
+           "#00cc96",
+           "#ab63fa",
+           "#FFA15A",
+           "#19d3f3",
+           "#FF6692",
+           "#B6E880",
+           "#FF97FF",
+           "#FECB52"
+          ],
+          "font": {
+           "color": "#2a3f5f"
+          },
+          "geo": {
+           "bgcolor": "white",
+           "lakecolor": "white",
+           "landcolor": "#E5ECF6",
+           "showlakes": true,
+           "showland": true,
+           "subunitcolor": "white"
+          },
+          "hoverlabel": {
+           "align": "left"
+          },
+          "hovermode": "closest",
+          "mapbox": {
+           "style": "light"
+          },
+          "paper_bgcolor": "white",
+          "plot_bgcolor": "#E5ECF6",
+          "polar": {
+           "angularaxis": {
+            "gridcolor": "white",
+            "linecolor": "white",
+            "ticks": ""
+           },
+           "bgcolor": "#E5ECF6",
+           "radialaxis": {
+            "gridcolor": "white",
+            "linecolor": "white",
+            "ticks": ""
+           }
+          },
+          "scene": {
+           "xaxis": {
+            "backgroundcolor": "#E5ECF6",
+            "gridcolor": "white",
+            "gridwidth": 2,
+            "linecolor": "white",
+            "showbackground": true,
+            "ticks": "",
+            "zerolinecolor": "white"
+           },
+           "yaxis": {
+            "backgroundcolor": "#E5ECF6",
+            "gridcolor": "white",
+            "gridwidth": 2,
+            "linecolor": "white",
+            "showbackground": true,
+            "ticks": "",
+            "zerolinecolor": "white"
+           },
+           "zaxis": {
+            "backgroundcolor": "#E5ECF6",
+            "gridcolor": "white",
+            "gridwidth": 2,
+            "linecolor": "white",
+            "showbackground": true,
+            "ticks": "",
+            "zerolinecolor": "white"
+           }
+          },
+          "shapedefaults": {
+           "line": {
+            "color": "#2a3f5f"
+           }
+          },
+          "ternary": {
+           "aaxis": {
+            "gridcolor": "white",
+            "linecolor": "white",
+            "ticks": ""
+           },
+           "baxis": {
+            "gridcolor": "white",
+            "linecolor": "white",
+            "ticks": ""
+           },
+           "bgcolor": "#E5ECF6",
+           "caxis": {
+            "gridcolor": "white",
+            "linecolor": "white",
+            "ticks": ""
+           }
+          },
+          "title": {
+           "x": 0.05
+          },
+          "xaxis": {
+           "automargin": true,
+           "gridcolor": "white",
+           "linecolor": "white",
+           "ticks": "",
+           "title": {
+            "standoff": 15
+           },
+           "zerolinecolor": "white",
+           "zerolinewidth": 2
+          },
+          "yaxis": {
+           "automargin": true,
+           "gridcolor": "white",
+           "linecolor": "white",
+           "ticks": "",
+           "title": {
+            "standoff": 15
+           },
+           "zerolinecolor": "white",
+           "zerolinewidth": 2
+          }
+         }
+        },
+        "width": 620
+       }
+      }
      },
      "metadata": {},
      "output_type": "display_data"
     }
    ],
    "source": [
-    "graph = gm.construct_graph(sdf_path=\"../tests/molecule/test_data/long_test.sdf\", config=config)\n",
-    "print(graph)\n",
-    "nx.draw(graph)\n",
-    "graph.graph[\"rdmol\"]"
+    "gm.plotly_molecular_graph(graph)"
    ]
   },
   {
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "### Creating a Molecular Graph from a Mol2 File "
+    "### Creating a Molecular Graph from a Mol2 File"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 8,
+   "execution_count": 11,
    "metadata": {},
    "outputs": [
     {
@@ -267,29 +2027,1030 @@
      "data": {
       "image/png": 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EGgUARahRAFDk/03Ui3jXPIQtAAAAeHpUWHRyZGtpdFBLTCByZGtpdCAyMDIyLjAzLjEAAHice79v7T0GIOBlQABmIGYC4gZGNgUDEJ8FQjOxsENoZm4GRgZGJgYRBnE9IJ8RihmYZ5XX2DdObd6XL+S877N80L607yl2S+7L2V87unV/eHSh3X9F231iAGjnF5WMqajkAAAAvnpUWHRNT0wgcmRraXQgMjAyMi4wMy4xAAB4nH2QvQ6DMAyE9zzFzUggx+YvIxBUVRVBamnfoXvfX3VAlLDUznC2vrNOyTItg1h3f3t/8CvxRvf05znn8BIiMhOiQD9ergHD0vX7ZpifYXlAwOrQPpPdMk/7xmIAFa6tmQg5FVw1tCnrqKLEy0pGgKqIqmCpV6HWOgUFAbktSia7gRJvrifbsknJMfhTmC1ePwd/xIvNRwYdIKk/peO8f4Nq8wXqekTAJci5PQAAAFt6VFh0U01JTEVTIHJka2l0IDIwMjIuMDMuMQAAeJxzdvZTqNEw0LO0MDPS0TXQMzI1B1GGlgam1iCugamRDpAyMjYDUmZGBmbWuoZ6JkYGhiBRY6hiCxNzzRoAOCQPAiKiS0MAAAAASUVORK5CYII=",
       "text/plain": [
-       "<rdkit.Chem.rdchem.Mol at 0x7fe387b50fa0>"
+       "<rdkit.Chem.rdchem.Mol at 0x7fb304222a00>"
       ]
      },
-     "execution_count": 8,
+     "execution_count": 11,
      "metadata": {},
      "output_type": "execute_result"
-    },
+    }
+   ],
+   "source": [
+    "graph = gm.construct_graph(mol2_path=\"../tests/molecule/test_data/short_test.mol2\", config=config)\n",
+    "print(graph)\n",
+    "graph.graph[\"rdmol\"]"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 12,
+   "metadata": {},
+   "outputs": [
     {
      "data": {
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+           }
+          ],
+          "scatter": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scatter"
+           }
+          ],
+          "scatter3d": [
+           {
+            "line": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scatter3d"
+           }
+          ],
+          "scattercarpet": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scattercarpet"
+           }
+          ],
+          "scattergeo": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scattergeo"
+           }
+          ],
+          "scattergl": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scattergl"
+           }
+          ],
+          "scattermapbox": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scattermapbox"
+           }
+          ],
+          "scatterpolar": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scatterpolar"
+           }
+          ],
+          "scatterpolargl": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scatterpolargl"
+           }
+          ],
+          "scatterternary": [
+           {
+            "marker": {
+             "colorbar": {
+              "outlinewidth": 0,
+              "ticks": ""
+             }
+            },
+            "type": "scatterternary"
+           }
+          ],
+          "surface": [
+           {
+            "colorbar": {
+             "outlinewidth": 0,
+             "ticks": ""
+            },
+            "colorscale": [
+             [
+              0,
+              "#0d0887"
+             ],
+             [
+              0.1111111111111111,
+              "#46039f"
+             ],
+             [
+              0.2222222222222222,
+              "#7201a8"
+             ],
+             [
+              0.3333333333333333,
+              "#9c179e"
+             ],
+             [
+              0.4444444444444444,
+              "#bd3786"
+             ],
+             [
+              0.5555555555555556,
+              "#d8576b"
+             ],
+             [
+              0.6666666666666666,
+              "#ed7953"
+             ],
+             [
+              0.7777777777777778,
+              "#fb9f3a"
+             ],
+             [
+              0.8888888888888888,
+              "#fdca26"
+             ],
+             [
+              1,
+              "#f0f921"
+             ]
+            ],
+            "type": "surface"
+           }
+          ],
+          "table": [
+           {
+            "cells": {
+             "fill": {
+              "color": "#EBF0F8"
+             },
+             "line": {
+              "color": "white"
+             }
+            },
+            "header": {
+             "fill": {
+              "color": "#C8D4E3"
+             },
+             "line": {
+              "color": "white"
+             }
+            },
+            "type": "table"
+           }
+          ]
+         },
+         "layout": {
+          "annotationdefaults": {
+           "arrowcolor": "#2a3f5f",
+           "arrowhead": 0,
+           "arrowwidth": 1
+          },
+          "autotypenumbers": "strict",
+          "coloraxis": {
+           "colorbar": {
+            "outlinewidth": 0,
+            "ticks": ""
+           }
+          },
+          "colorscale": {
+           "diverging": [
+            [
+             0,
+             "#8e0152"
+            ],
+            [
+             0.1,
+             "#c51b7d"
+            ],
+            [
+             0.2,
+             "#de77ae"
+            ],
+            [
+             0.3,
+             "#f1b6da"
+            ],
+            [
+             0.4,
+             "#fde0ef"
+            ],
+            [
+             0.5,
+             "#f7f7f7"
+            ],
+            [
+             0.6,
+             "#e6f5d0"
+            ],
+            [
+             0.7,
+             "#b8e186"
+            ],
+            [
+             0.8,
+             "#7fbc41"
+            ],
+            [
+             0.9,
+             "#4d9221"
+            ],
+            [
+             1,
+             "#276419"
+            ]
+           ],
+           "sequential": [
+            [
+             0,
+             "#0d0887"
+            ],
+            [
+             0.1111111111111111,
+             "#46039f"
+            ],
+            [
+             0.2222222222222222,
+             "#7201a8"
+            ],
+            [
+             0.3333333333333333,
+             "#9c179e"
+            ],
+            [
+             0.4444444444444444,
+             "#bd3786"
+            ],
+            [
+             0.5555555555555556,
+             "#d8576b"
+            ],
+            [
+             0.6666666666666666,
+             "#ed7953"
+            ],
+            [
+             0.7777777777777778,
+             "#fb9f3a"
+            ],
+            [
+             0.8888888888888888,
+             "#fdca26"
+            ],
+            [
+             1,
+             "#f0f921"
+            ]
+           ],
+           "sequentialminus": [
+            [
+             0,
+             "#0d0887"
+            ],
+            [
+             0.1111111111111111,
+             "#46039f"
+            ],
+            [
+             0.2222222222222222,
+             "#7201a8"
+            ],
+            [
+             0.3333333333333333,
+             "#9c179e"
+            ],
+            [
+             0.4444444444444444,
+             "#bd3786"
+            ],
+            [
+             0.5555555555555556,
+             "#d8576b"
+            ],
+            [
+             0.6666666666666666,
+             "#ed7953"
+            ],
+            [
+             0.7777777777777778,
+             "#fb9f3a"
+            ],
+            [
+             0.8888888888888888,
+             "#fdca26"
+            ],
+            [
+             1,
+             "#f0f921"
+            ]
+           ]
+          },
+          "colorway": [
+           "#636efa",
+           "#EF553B",
+           "#00cc96",
+           "#ab63fa",
+           "#FFA15A",
+           "#19d3f3",
+           "#FF6692",
+           "#B6E880",
+           "#FF97FF",
+           "#FECB52"
+          ],
+          "font": {
+           "color": "#2a3f5f"
+          },
+          "geo": {
+           "bgcolor": "white",
+           "lakecolor": "white",
+           "landcolor": "#E5ECF6",
+           "showlakes": true,
+           "showland": true,
+           "subunitcolor": "white"
+          },
+          "hoverlabel": {
+           "align": "left"
+          },
+          "hovermode": "closest",
+          "mapbox": {
+           "style": "light"
+          },
+          "paper_bgcolor": "white",
+          "plot_bgcolor": "#E5ECF6",
+          "polar": {
+           "angularaxis": {
+            "gridcolor": "white",
+            "linecolor": "white",
+            "ticks": ""
+           },
+           "bgcolor": "#E5ECF6",
+           "radialaxis": {
+            "gridcolor": "white",
+            "linecolor": "white",
+            "ticks": ""
+           }
+          },
+          "scene": {
+           "xaxis": {
+            "backgroundcolor": "#E5ECF6",
+            "gridcolor": "white",
+            "gridwidth": 2,
+            "linecolor": "white",
+            "showbackground": true,
+            "ticks": "",
+            "zerolinecolor": "white"
+           },
+           "yaxis": {
+            "backgroundcolor": "#E5ECF6",
+            "gridcolor": "white",
+            "gridwidth": 2,
+            "linecolor": "white",
+            "showbackground": true,
+            "ticks": "",
+            "zerolinecolor": "white"
+           },
+           "zaxis": {
+            "backgroundcolor": "#E5ECF6",
+            "gridcolor": "white",
+            "gridwidth": 2,
+            "linecolor": "white",
+            "showbackground": true,
+            "ticks": "",
+            "zerolinecolor": "white"
+           }
+          },
+          "shapedefaults": {
+           "line": {
+            "color": "#2a3f5f"
+           }
+          },
+          "ternary": {
+           "aaxis": {
+            "gridcolor": "white",
+            "linecolor": "white",
+            "ticks": ""
+           },
+           "baxis": {
+            "gridcolor": "white",
+            "linecolor": "white",
+            "ticks": ""
+           },
+           "bgcolor": "#E5ECF6",
+           "caxis": {
+            "gridcolor": "white",
+            "linecolor": "white",
+            "ticks": ""
+           }
+          },
+          "title": {
+           "x": 0.05
+          },
+          "xaxis": {
+           "automargin": true,
+           "gridcolor": "white",
+           "linecolor": "white",
+           "ticks": "",
+           "title": {
+            "standoff": 15
+           },
+           "zerolinecolor": "white",
+           "zerolinewidth": 2
+          },
+          "yaxis": {
+           "automargin": true,
+           "gridcolor": "white",
+           "linecolor": "white",
+           "ticks": "",
+           "title": {
+            "standoff": 15
+           },
+           "zerolinecolor": "white",
+           "zerolinewidth": 2
+          }
+         }
+        },
+        "width": 620
+       }
+      }
      },
      "metadata": {},
      "output_type": "display_data"
     }
    ],
    "source": [
-    "graph = gm.construct_graph(mol2_path=\"../tests/molecule/test_data/short_test.mol2\", config=config)\n",
-    "print(graph)\n",
-    "nx.draw(graph)\n",
-    "graph.graph[\"rdmol\"]"
+    "gm.plotly_molecular_graph(graph)"
    ]
   },
   {
@@ -442,7 +3203,8 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "### Graph Features"
+    "### Graph Features\n",
+    "Global descriptors of the molecule computed by RDKit can be added to the graph too!"
    ]
   },
   {
@@ -478,6 +3240,32 @@
     "\n",
     "print(graph.graph)"
    ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 16,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "{'name': 'short_test',\n",
+       " 'rdmol': <rdkit.Chem.rdchem.Mol at 0x7fe391622a60>,\n",
+       " 'coords': array([[ 0.9862, -0.257 , -0.1905],\n",
+       "        [-0.2052,  0.2236,  0.6206],\n",
+       "        [-1.4201,  0.2357, -0.1847]]),\n",
+       " 'smiles': 'CCN',\n",
+       " 'config': MoleculeGraphConfig(verbose=False, add_hs=False, edge_construction_functions=[<function add_fully_connected_edges at 0x7fe3895cf280>, <function add_k_nn_edges at 0x7fe3895cf310>, <function add_distance_threshold at 0x7fe3895cf1f0>, <function add_atom_bonds at 0x7fe3895ccdc0>], node_metadata_functions=[<function atom_type_one_hot at 0x7fe3895cf430>], edge_metadata_functions=[<function add_bond_type at 0x7fe3895cf5e0>, <function bond_is_aromatic at 0x7fe3895cf670>, <function bond_is_conjugated at 0x7fe3895cf700>, <function bond_is_in_ring at 0x7fe3895cf790>, <function bond_stereo at 0x7fe3895cf8b0>, functools.partial(<function bond_is_in_ring_size at 0x7fe3895cf820>, ring_size=5), functools.partial(<function bond_is_in_ring_size at 0x7fe3895cf820>, ring_size=7)], graph_metadata_functions=None)}"
+      ]
+     },
+     "execution_count": 16,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "graph.graph"
+   ]
   }
  ],
  "metadata": {

From b7caf16df57a41e94ca88691390f70e0b621da23 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Sun, 17 Apr 2022 13:04:33 +0100
Subject: [PATCH 36/51] add molecule visualisation to docs

---
 docs/source/modules/graphein.molecule.rst | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/docs/source/modules/graphein.molecule.rst b/docs/source/modules/graphein.molecule.rst
index 66cd96298..bda27a970 100644
--- a/docs/source/modules/graphein.molecule.rst
+++ b/docs/source/modules/graphein.molecule.rst
@@ -37,6 +37,10 @@ Edge
 .. automodule:: graphein.molecule.features.edges.bonds
     :members:
 
+Visualisation
+----------
+.. automodule:: graphein.molecule.visualisation
+    :members:
 
 Constants
 ----------

From 347035780a825c7b74b6e821b41644be5f55865b Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Sun, 17 Apr 2022 13:05:57 +0100
Subject: [PATCH 37/51] fix molecule notebooks in docs

---
 docs/source/molecule_notebooks.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/molecule_notebooks.rst b/docs/source/molecule_notebooks.rst
index 6bcc0b0e2..794cbc37b 100644
--- a/docs/source/molecule_notebooks.rst
+++ b/docs/source/molecule_notebooks.rst
@@ -1,5 +1,5 @@
 ==============
-PPI Networks
+Molecules
 ==============
 .. toctree::
     :maxdepth: 2

From 7f25b927e14a4fc327c978aa4eac0af499be8ed2 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Sun, 17 Apr 2022 13:14:27 +0100
Subject: [PATCH 38/51] update docs with refactored config

---
 docs/source/modules/graphein.utils.rst | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/docs/source/modules/graphein.utils.rst b/docs/source/modules/graphein.utils.rst
index 7d9b29452..a81d4a8da 100644
--- a/docs/source/modules/graphein.utils.rst
+++ b/docs/source/modules/graphein.utils.rst
@@ -10,6 +10,8 @@ Utils
 
 CLI & Config
 _____________
+.. automodule:: graphein.utils.config_parser
+    :members:
 .. automodule:: graphein.utils.config
     :members:
 

From 7a0d1a55fb78ab0e87a25c8647ec99f07c592fc6 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Tue, 19 Apr 2022 08:43:29 +0100
Subject: [PATCH 39/51] update node naming to including element symbol

---
 graphein/molecule/edges/atomic.py   | 4 ++--
 graphein/molecule/edges/distance.py | 9 ++++++---
 graphein/molecule/graphs.py         | 2 +-
 tests/molecule/test_graphs.py       | 2 +-
 4 files changed, 10 insertions(+), 7 deletions(-)

diff --git a/graphein/molecule/edges/atomic.py b/graphein/molecule/edges/atomic.py
index 9e0aba519..bfc37fcc7 100644
--- a/graphein/molecule/edges/atomic.py
+++ b/graphein/molecule/edges/atomic.py
@@ -26,8 +26,8 @@ def add_atom_bonds(G: nx.Graph) -> nx.Graph:
             G.graph["rdmol"].GetAtoms()[n1].GetSymbol(),
             G.graph["rdmol"].GetAtoms()[n2].GetSymbol(),
         )
-        n1 = sym1 + str(n1)
-        n2 = sym2 + str(n2)
+        n1 = f"{sym1}:{str(n1)}"
+        n2 = f"{sym2}:{str(n2)}"
         if G.has_edge(n1, n2):
             G.edges[n1, n2]["kind"].add("bond")
             G.edges[n1, n2]["bond"] = bond
diff --git a/graphein/molecule/edges/distance.py b/graphein/molecule/edges/distance.py
index 1c9145166..85c1b9c61 100644
--- a/graphein/molecule/edges/distance.py
+++ b/graphein/molecule/edges/distance.py
@@ -61,7 +61,9 @@ def add_distance_threshold(G: nx.Graph, threshold: float = 5.0):
 
     dist_mat = compute_distmat(G.graph["coords"])
     interacting_nodes = get_interacting_atoms(threshold, distmat=dist_mat)
-    interacting_nodes = list(zip(interacting_nodes[0], interacting_nodes[1]))
+    outgoing = [list(G.nodes())[i] for i in interacting_nodes[0]]
+    incoming = [list(G.nodes())[i] for i in interacting_nodes[1]]
+    interacting_nodes = list(zip(outgoing, incoming))
 
     log.info(
         f"Found: {len(interacting_nodes)} distance edges for radius {threshold}"
@@ -84,7 +86,7 @@ def add_fully_connected_edges(
     """
     length = len(G.graph["coords"])
 
-    for n1, n2 in itertools.product(range(length), range(length)):
+    for n1, n2 in itertools.product(G.nodes(), G.nodes()):
         if G.has_edge(n1, n2):
             G.edges[n1, n2]["kind"].add("fully_connected")
         else:
@@ -135,7 +137,8 @@ def add_k_nn_edges(
 
     # Create iterable of node indices
     outgoing = np.repeat(np.array(range(len(G.graph["coords"]))), k)
-    incoming = nn.indices
+    outgoing = [list(G.nodes())[i] for i in outgoing]
+    incoming = [list(G.nodes())[i] for i in nn.indices]
     interacting_nodes = list(zip(outgoing, incoming))
     log.info(f"Found: {len(interacting_nodes)} KNN edges")
     for n1, n2 in interacting_nodes:
diff --git a/graphein/molecule/graphs.py b/graphein/molecule/graphs.py
index cf6f978ec..f6e0b70ce 100644
--- a/graphein/molecule/graphs.py
+++ b/graphein/molecule/graphs.py
@@ -68,7 +68,7 @@ def add_nodes_to_graph(
             G.graph["coords"][i] if G.graph["coords"] is not None else None
         )
         G.add_node(
-            atom.GetSymbol() + str(atom.GetIdx()),
+            f"{atom.GetSymbol()}:{str(atom.GetIdx())}",
             atomic_num=atom.GetAtomicNum(),
             element=atom.GetSymbol(),
             rdmol_atom=atom,
diff --git a/tests/molecule/test_graphs.py b/tests/molecule/test_graphs.py
index c3c4393bf..f978f6b00 100644
--- a/tests/molecule/test_graphs.py
+++ b/tests/molecule/test_graphs.py
@@ -41,7 +41,7 @@ def test_generate_graph_sdf():
     for n, d in g.nodes(data=True):
         assert isinstance(
             d["atomic_num"], int
-        ), f"{n} atomic_num is not an int"
+        ), f"{n} atomic_num {d['atomic_num']} is not an int"
         assert isinstance(d["element"], str), f"{n} element is not a string"
         assert isinstance(
             d["rdmol_atom"], rdkit.Chem.rdchem.Atom

From 2de971289751a2cfeddba025a94528ca0186f362 Mon Sep 17 00:00:00 2001
From: Yuanqi Du <ydu6@gmu.edu>
Date: Sun, 24 Apr 2022 12:46:05 +0800
Subject: [PATCH 40/51] junction added & protein_ligand support added

---
 graphein/3v1w.pdb.gz                          |   Bin 0 -> 76864 bytes
 graphein/Components-smiles-stereo-oe.smi      | 37104 ++++++++++++++++
 graphein/molecule/graphs.py                   |    42 +-
 graphein/protein_ligand/1lds.pdb.gz           |   Bin 0 -> 24007 bytes
 graphein/protein_ligand/3v1w.pdb.gz           |   Bin 0 -> 76864 bytes
 graphein/protein_ligand/4hhb.pdb.gz           |   Bin 0 -> 109128 bytes
 .../Components-smiles-stereo-oe.smi           | 37103 +++++++++++++++
 graphein/protein_ligand/__init__.py           |    22 +
 graphein/protein_ligand/config.py             |   220 +
 graphein/protein_ligand/edges/__init__.py     |     3 +
 graphein/protein_ligand/edges/atomic.py       |   363 +
 graphein/protein_ligand/edges/distance.py     |   949 +
 .../protein_ligand/edges/intramolecular.py    |   325 +
 graphein/protein_ligand/features/__init__.py  |     6 +
 .../protein_ligand/features/data/__init__.py  |     0
 .../protein_ligand/features/graph/__init__.py |     0
 .../protein_ligand/features/nodes/__init__.py |     4 +
 .../protein_ligand/features/nodes/aaindex.py  |    67 +
 .../features/nodes/amino_acid.py              |   252 +
 .../features/nodes/amino_acid_properties.csv  |    62 +
 .../features/nodes/atom_type.py               |   314 +
 .../protein_ligand/features/nodes/dssp.py     |   274 +
 .../protein_ligand/features/nodes/geometry.py |   172 +
 .../features/nodes/meiler_embeddings.csv      |     8 +
 .../features/pretrained_models/__init__.py    |     0
 .../swissprot-reviewed-protvec.model          |   Bin 0 -> 8309836 bytes
 .../features/sequence/__init__.py             |     4 +
 .../features/sequence/embeddings.py           |   254 +
 .../protein_ligand/features/sequence/propy.py |  1832 +
 .../features/sequence/sequence.py             |    38 +
 .../protein_ligand/features/sequence/utils.py |   112 +
 graphein/protein_ligand/features/utils.py     |    63 +
 graphein/protein_ligand/graphs.py             |  1023 +
 graphein/protein_ligand/utils.py              |   315 +
 graphein/protein_ligand/visualisation.py      |   979 +
 graphein/utils/junction_tree/jt_utils.py      |   204 +
 graphein/utils/utils.py                       |     2 +-
 tests/molecule/test_graphs.py                 |    11 +-
 tests/protein_ligand/test_data/1lds.pdb       |  1264 +
 tests/protein_ligand/test_data/3v1w.pdb       |  4072 ++
 tests/protein_ligand/test_data/4hhb.pdb       |  5848 +++
 tests/protein_ligand/test_graphs.py           |    43 +
 42 files changed, 93350 insertions(+), 4 deletions(-)
 create mode 100644 graphein/3v1w.pdb.gz
 create mode 100644 graphein/Components-smiles-stereo-oe.smi
 create mode 100644 graphein/protein_ligand/1lds.pdb.gz
 create mode 100644 graphein/protein_ligand/3v1w.pdb.gz
 create mode 100644 graphein/protein_ligand/4hhb.pdb.gz
 create mode 100644 graphein/protein_ligand/Components-smiles-stereo-oe.smi
 create mode 100644 graphein/protein_ligand/__init__.py
 create mode 100644 graphein/protein_ligand/config.py
 create mode 100644 graphein/protein_ligand/edges/__init__.py
 create mode 100644 graphein/protein_ligand/edges/atomic.py
 create mode 100644 graphein/protein_ligand/edges/distance.py
 create mode 100644 graphein/protein_ligand/edges/intramolecular.py
 create mode 100644 graphein/protein_ligand/features/__init__.py
 create mode 100644 graphein/protein_ligand/features/data/__init__.py
 create mode 100644 graphein/protein_ligand/features/graph/__init__.py
 create mode 100644 graphein/protein_ligand/features/nodes/__init__.py
 create mode 100644 graphein/protein_ligand/features/nodes/aaindex.py
 create mode 100644 graphein/protein_ligand/features/nodes/amino_acid.py
 create mode 100644 graphein/protein_ligand/features/nodes/amino_acid_properties.csv
 create mode 100644 graphein/protein_ligand/features/nodes/atom_type.py
 create mode 100644 graphein/protein_ligand/features/nodes/dssp.py
 create mode 100644 graphein/protein_ligand/features/nodes/geometry.py
 create mode 100644 graphein/protein_ligand/features/nodes/meiler_embeddings.csv
 create mode 100644 graphein/protein_ligand/features/pretrained_models/__init__.py
 create mode 100644 graphein/protein_ligand/features/pretrained_models/swissprot-reviewed-protvec.model
 create mode 100644 graphein/protein_ligand/features/sequence/__init__.py
 create mode 100644 graphein/protein_ligand/features/sequence/embeddings.py
 create mode 100644 graphein/protein_ligand/features/sequence/propy.py
 create mode 100644 graphein/protein_ligand/features/sequence/sequence.py
 create mode 100644 graphein/protein_ligand/features/sequence/utils.py
 create mode 100644 graphein/protein_ligand/features/utils.py
 create mode 100644 graphein/protein_ligand/graphs.py
 create mode 100644 graphein/protein_ligand/utils.py
 create mode 100644 graphein/protein_ligand/visualisation.py
 create mode 100644 graphein/utils/junction_tree/jt_utils.py
 create mode 100644 tests/protein_ligand/test_data/1lds.pdb
 create mode 100644 tests/protein_ligand/test_data/3v1w.pdb
 create mode 100644 tests/protein_ligand/test_data/4hhb.pdb
 create mode 100644 tests/protein_ligand/test_graphs.py

diff --git a/graphein/3v1w.pdb.gz b/graphein/3v1w.pdb.gz
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literal 0
HcmV?d00001

diff --git a/graphein/Components-smiles-stereo-oe.smi b/graphein/Components-smiles-stereo-oe.smi
new file mode 100644
index 000000000..1dab2fdbe
--- /dev/null
+++ b/graphein/Components-smiles-stereo-oe.smi
@@ -0,0 +1,37104 @@
+
+COC(=O)O	000	methyl hydrogen carbonate
+COc1cc(cc(c1OC)OC)C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CCCc3ccccc3)CCCc4cccnc4)(F)F	001	1-[2,2-difluoro-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(3-pyridin-3-yl-propyl)-butyl ester
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO	002	n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-isoleucyl-l-leucine
+CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5ccncc5)C(=O)N(C1=O)C	003	5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
+c1ccc(cc1)[C@@H](C(=O)O)N	004	(2s)-amino(phenyl)ethanoic acid
+c1ccc(cc1)C[C@@H]([C@@H](C(=O)O)O)N	005	(2s,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C	006	(4r)-3-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+c1ccc(cc1)C2(CCCC2)CN	007	1-methylamine-1-benzyl-cyclopentane
+c1ccc2c(c1)C[C@H](N(C2)C(=O)C[C@@H](Cc3ccccc3F)N)C(=O)N	008	(s)-2-[(r)-3-amino-4-(2-fluoro-phenyl)-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide
+CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@]3(CN(C(=O)N3)Cc4ccccc4)Cc5ccccc5)O	009	(4s)-1,4-dibenzyl-n-[(1s,2r)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide
+c1cc(ccc1C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)Cl	00A	5'-o-[(s)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine
+CC1([C@H](NCS1)C(=O)O)C	00B	(4r)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+C([C@H](C(=O)O)N)S(=O)(=O)O	00C	3-sulfo-d-alanine
+C[C@H](C(C)(C)C)N	00D	(2r)-3,3-dimethylbutan-2-amine
+C1COCCN1CC(=O)O	00E	morpholin-4-ylacetic acid
+C[C@H](C[P@](=O)([C@H](Cc1ccccc1)N)O)C(=O)O	00F	(2s)-3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+c1ccn(c1)CCOc2ccc3c(c2)cc[nH]3	00G	5-[2-(1h-pyrrol-1-yl)ethoxy]-1h-indole
+c1ccc(cc1)C[C@H](N)[P@@](=O)(CCC(=O)O)O	00H	3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid
+[H]/N=C(\c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)[C@H](CCC(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N	00I	n-[(1r)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-n~2~-(naphthalen-2-ylsulfonyl)-l-alpha-glutamine
+Cc1c(c2ccc(cc2o1)Oc3ccnc4c3ccc(c4)OCCN5CCOCC5)C(=O)NC	00J	n,2-dimethyl-6-{[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy}-1-benzofuran-3-carboxamide
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCCN)[C@@H](C(=O)NC4CCCCC4)O)N	00K	(1s,7s)-7-amino-n-[(2r,3s)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
+[H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)NCCc1ccccc1)O)NC(=O)[C@@H]2CCN3N2C(=O)[C@@](CC3)(Cc4ccccc4)N	00L	(1s,7s)-7-amino-7-benzyl-n-[(1s)-4-carbamimidamido-1-{(1s)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
+c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)N	00M	(2r,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCNC(=N)N)[C@@H](c4nccs4)O)N	00N	(1s,7s)-7-amino-7-benzyl-n-{(1s)-4-carbamimidamido-1-[(s)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1h-pyra zolo[1,2-a]pyridazine-1-carboxamide
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N	00O	beta-phenyl-d-phenylalanine
+c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)N	00P	(5s)-n-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
+[H]/N=C(\N)/NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)N	00Q	d-phenylalanyl-n-{(1s)-1-[(s)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-l-prolinamide
+c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NC4CCC(CC4)c5cnc([nH]5)N	00R	(5s)-n-[trans-4-(2-amino-1h-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
+[H]/N=C(/c1ccc(cc1)CN)\N	00S	4-(aminomethyl)benzenecarboximidamide
+c1cc(c(cc1Cl)CN)CN	00T	(4-chlorobenzene-1,2-diyl)dimethanamine
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)O)N	00U	(1s,7s)-7-amino-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxylic acid
+C(CCN)C[C@@H]([C@@H](C(=O)O)O)N	00V	(2s,3s)-3,7-diamino-2-hydroxyheptanoic acid
+[H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)O)O)N	00W	3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-l-erythro-hexonic acid
+c1ccc2c(c1)C[C@H]([C@H]2N)O	00X	(1s,2r)-1-amino-2,3-dihydro-1h-inden-2-ol
+c1csc(n1)[C@H]([C@H](CCCNC(=N)N)N)O	00Y	1-[(4s,5s)-4-amino-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]guanidine
+c1ccc(cc1)CO	010	phenylmethanol
+C(CCCN)CCC(=O)O	011	7-aminoheptanoic acid
+CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)N3)Cc4cccc(c4)OC)O	012	(4s)-n-[(1s,2r)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide
+c1c(scn1)COC(=O)O	013	1,3-thiazol-5-ylmethyl hydrogen carbonate
+c1c2c(cc(c1F)Cl)nc([nH]2)n3cc(cn3)C(=O)O	014	1-(5-chloro-6-fluoro-1h-benzimidazol-2-yl)-1h-pyrazole-4-carboxylic acid
+c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)N	015	(2s,3s,5s)-2,5-diamino-1,6-diphenylhexan-3-ol
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C	016	(4r)-3-[(2r,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	017	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropylcarbamate
+c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCc2ccsc2	018	2-nitro-n-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline
+CC(C)c1nc(cs1)CN(C)C(=O)O	019	methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamic acid
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)Cl)O	01A	4-chlorophenacyl-coenzyme a
+c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N	01B	(2s,3r)-3-amino-2-hydroxy-4-phenylbutanoic acid
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)C(C(F)(F)F)(F)F)N	01C	(4s)-4-amino-1,1,1,2,2-pentafluoro-5-(1h-indol-3-yl)pentan-3-one
+C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)NC(=O)[C@H](CC(=O)n2cccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	01E	(2s)-2-(3,3-dimethylbutanoylamino)-n-[(2s)-1-[[(2s,3s)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide
+CCOC(=O)O	01F	ethyl hydrogen carbonate
+C1COCCN1c2nc3c(n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC3=O)N	01G	8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate)
+C(CCNN)CN	01H	4-hydrazinylbutan-1-amine
+c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O	01I	naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N[C@@H](N3CCOCC3)O	01J	n-[(s)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-d-phenylalanine
+CC(=O)N[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)N	01K	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r,20r)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate
+B([C@H](CCCOC)N)(O)O	01L	[(1r)-1-amino-4-methoxybutyl]boronic acid
+[H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)O	01M	(3s)-1-carbamimidoylpiperidine-3-carboxylic acid
+C1CCC(CC1)C[C@H](C(=O)O)NCC(=O)O	01N	n-(carboxymethyl)-3-cyclohexyl-d-alanine
+[H]/N=C(\c1cc(cn1C)CN)/N	01O	4-(aminomethyl)-1-methyl-1h-pyrrole-2-carboximidamide
+COc1cc(ccc1N2CCOCC2)Nc3nccc(n3)Nc4cc5ccccc5nc4	01P	n~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-n~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
+[H]/N=C(\c1ccc(n1C)CN)/N	01Q	5-(aminomethyl)-1-methyl-1h-pyrrole-2-carboximidamide
+c1cnccc1NCCN	01R	n-(pyridin-4-yl)ethane-1,2-diamine
+	01S	n-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-alanylglycinamide
+CCc1c(c(c(c(n1)CC(C)(C)C)CN)c2ccc(cc2)C)CC(=O)O	01T	[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid
+c1cc2c(cc1N)sc(n2)N	01U	1,3-benzothiazole-2,6-diamine
+c1cc(c(cc1Cl)CN)Cl	01V	1-(2,5-dichlorophenyl)methanamine
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCC[C@@H](C(=O)[O-])[NH3+]	01W	(2s)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate
+c1cc(c(cc1Cl)CN)OCC(=O)O	01X	[2-(aminomethyl)-4-chlorophenoxy]acetic acid
+C1CCC(C1)OCC(=O)O	01Y	(cyclopentyloxy)acetic acid
+C1CCC(CC1)OCC(=O)O	01Z	(cyclohexyloxy)acetic acid
+c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])C(F)(F)F	020	n-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline
+C1CCC(C1)NCC(=O)O	021	n-cyclopentylglycine
+Cc1cc(ccc1n2c(ccc2c3ccc(cc3)n4ccnc4)CCC(=O)O)C(=O)N	022	3-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1h-imidazol-1-yl)phenyl]-1h-pyrrol-2-yl}propanoic acid
+C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O	023	n^2^-[(2r)-2-{(1s)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-n,3-dimethyl-l-valinamide
+c1cc(cc(c1)NC2CCCCC2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br	024	4-bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]thiophene-2-carboxylic acid
+c1cc(cc(c1)S(=O)(=O)O)C(F)(F)F	025	3-(trifluoromethyl)benzenesulfonic acid
+C1CN(CCN1)CCCN	026	3-(piperazin-1-yl)propan-1-amine
+Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2ccc(c3)N4CCN(CC4)C)C(C)C	027	7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1h-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2h)-one
+CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O	028	(1-hydroxyheptane-1,1-diyl)bis(phosphonic acid)
+[H]/N=C(\N)/NCC1CCC(CC1)C(=O)O	029	cis-4-(carbamimidamidomethyl)cyclohexanecarboxylic acid
+C1CN[C@@H]1C(=O)O	02A	(2s)-azetidine-2-carboxylic acid
+Cc1cc(c(c(c1S(=O)(=O)O)C)C)OC	02B	4-methoxy-2,3,6-trimethylbenzenesulfonic acid
+[H]/N=C(/c1csc(n1)CN)\N	02C	2-(aminomethyl)-1,3-thiazole-4-carboximidamide
+[H]/N=C(/c1ccc(s1)CN)\N	02D	5-(aminomethyl)thiophene-2-carboximidamide
+CO/C=C/C[C@@H](N)P(O)(O)(Oc1ccccc1)Oc2ccccc2	02E	(e,1s)-1-[dihydroxy(diphenoxy)-$l^{5}-phosphanyl]-4-methoxy-but-3-en-1-amine
+COCCC[C@@H](N)P(=O)(O)O	02F	[(1s)-1-amino-4-methoxybutyl]phosphonic acid
+C(CS)/C=C/[C@H](CC(=O)O)O	02G	(3s,4e)-3-hydroxy-7-sulfanylhept-4-enoic acid
+c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccc(cc2)c3cccnc3)N)O)N	02H	(2s,3s,5s)-2,5-diamino-6-phenyl-1-[4-(pyridin-3-yl)phenyl]hexan-3-ol
+c1nc(c2c(n1)n3c(n2)[C@@H]([C@@H]4[C@H](C[C@H]3O4)O)OP(=O)(O)O)N	02I	(6s,7s,8s,10r)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6h-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate
+Cc1cc(no1)C(=O)O	02J	5-methyl-1,2-oxazole-3-carboxylic acid
+C1CCC(CC1)(C(=O)O)N	02K	1-aminocyclohexanecarboxylic acid
+CC(C)(C)CNC(=O)C[C@@H](C(=O)O)N	02L	n-(2,2-dimethylpropyl)-l-asparagine
+Cc1ccc(cc1)CN	02N	1-(4-methylphenyl)methanamine
+CC(C)(C)c1nc(on1)C[C@@H](C(=O)O)N	02O	3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-l-alanine
+C[n+]1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl	02P	d-phenylalanyl-n-[(4-chloro-1-methylpyridinium-2-yl)methyl]-l-prolinamide
+Cc1ccccc1CCC(=O)O	02Q	3-(2-methylphenyl)propanoic acid
+c1ccc(c(c1)CN)Cl	02R	1-(2-chlorophenyl)methanamine
+c1ccc(cc1)COc2ccc(cc2)C(=O)O	02S	4-(benzyloxy)benzoic acid
+Cc1ccsc1CN	02T	1-(3-methylthiophen-2-yl)methanamine
+CCC(C)CCCC=CCCCCCCCC(=O)O	02U	14-methylhexadec-9-enoic acid
+CN[C@@H](c1ccc(c(c1)O)O)C(=O)O	02V	(2s)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid
+Cc1nc2ccccc2n1CCN	02W	2-(2-methyl-1h-benzimidazol-1-yl)ethanamine
+CC(C)[C@H](CC(=O)O)C(=O)O	02X	(2s)-2-(propan-2-yl)butanedioic acid
+C(CC(=O)C[N+]#N)[C@@H](C(=O)O)N	02Y	6-diazonio-5-oxo-l-norleucine
+c1ccc(cc1)Nc2nc(c(s2)C(=O)N)N	02Z	4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide
+C1[C@H](C[C@@H]2[C@H]1[C@H](CO2)O)OC(=O)O	030	(3r,3ar,5r,6ar)-3-hydroxyhexahydro-2h-cyclopenta[b]furan-5-yl hydrogen carbonate
+COc1ccc(cc1)S(=O)(=O)[N@@](C[C@H]2CCC(=O)N2)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@@H]4C[C@@H]5CCO[C@@H]5C4)O	031	(3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl [(1s,2r)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2r)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F	032	n-(3-{[5-(4-chlorophenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
+CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c3cc4ccccc4o3	033	n-({4'-[(1-benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-yl}sulfonyl)-l-valine
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cc([nH]5)C(=O)O	034	5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1h-indole-2-carboxylic acid
+C(CC[C@@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O	035	(2s)-2,7-bis(phosphonooxy)heptanoic acid
+C(CC[C@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O	036	(2r)-2,7-bis(phosphonooxy)heptanoic acid
+C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)O	037	(1s,3ar,6as)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid
+CC(C)C[C@@H](C(=O)NC[C@](CCc1ccccc1)(C(=O)Nc2cccc(c2)C(=O)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)c3[nH]nnn3)N	038	3-[[(2s)-2-[[[(2s)-2-[[(2s)-2-[[(2s)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid
+COc1ccccc1N2C(=Nc3cccc(c3C2=O)Cl)CSc4c5c([nH]cn5)ncn4	039	2-((9h-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3h)-one
+CCCC(C(=O)C(=O)NC1CC1)N	03A	(3s)-3-amino-n-cyclopropyl-2-oxohexanamide
+Cc1c(c(c(n1C)c2ccc(cc2)Cl)c3cccc(c3)N4CCN(CC4)c5ccc(cc5)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7)C(=O)O	03B	5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1h-pyrrole-3-carboxylic acid
+Cc1ccccc1n2c(c(cn2)C(=O)c3cccc(c3)C4CCN(CC4)S(=O)(=O)C)N	03C	[5-amino-1-(2-methylphenyl)-1h-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone
+CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2CC2)C[C@@H]([C@H](Cc3ccccc3)O)O)O)O	03D	(2r,4s,5s)-n-[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide
+C1CCCC(CC1)(C(=O)O)N	03E	1-aminocycloheptanecarboxylic acid
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O	03F	(9z)-n-[(2s,3r,4e)-1-(beta-d-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide
+CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Cl)C	03G	n-(4-chlorophenyl)-n'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
+CC(C)C[C@@H](C(=O)O)Cl	03H	(2s)-2-chloro-4-methylpentanoic acid
+C[C@@](CCc1ccc(cc1)c2ccc(cc2)OCCCN3CCOCC3)(C(=O)NO)S(=O)(=O)C	03I	(2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)O	03J	3-[4-(4-phenylthiophen-2-yl)phenyl]propanoic acid
+c1cc(ccc1C(=O)N)C(=O)Nc2cc([nH]n2)C3CC3	03K	n-(5-cyclopropyl-1h-pyrazol-3-yl)benzene-1,4-dicarboxamide
+c1ccc(c(c1)C(=O)NCc2c(cccc2Cl)Sc3ccc(cc3Cl)Cl)C(=O)O	03L	2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid
+Cc1c(ccc2c1[nH]cc2/C=C\3/C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl	03M	(5z)-5-[(6-chloro-7-methyl-1h-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione
+[H]/N=C(\N)/N1CCC(CC1)CN	03N	4-(aminomethyl)piperidine-1-carboximidamide
+CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)O	03O	4-({[(6s)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid
+CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O	03P	n-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
+c1cc(cc(c1)Oc2c(cc(cn2)Nc3c4c(ccn4CCOCCO)ncn3)Cl)C(F)(F)F	03Q	2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol
+[H]/N=C(/c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccccc3C(=O)O)F)N[C@@H](C)CCc4ccccc4)F)\N	03R	2-({6-{3-[amino(imino)methyl]phenoxy}-3,5-difluoro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl}oxy)benzoic acid
+CS(=O)(=O)O	03S	methanesulfonic acid
+c1ccc2c(c1)cc(s2)S(=O)(=O)N	03T	1-benzothiophene-2-sulfonamide
+CC/C(=C(\C#N)/C(=O)Nc1ccc(c(c1)C(=O)OC)c2ccc(cc2)F)/O	03U	methyl 4-{[(2z)-2-cyano-3-hydroxypent-2-enoyl]amino}-4'-fluorobiphenyl-2-carboxylate
+c1ccc2cc(ccc2c1)O	03V	naphthalen-2-ol
+C([C@H](C(O)O)O)O	03W	(2r)-propane-1,1,2,3-tetrol
+CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC	03X	n-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide
+C[C@](CS)(C(=O)O)N	03Y	2-methyl-l-cysteine
+c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	03Z	4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
+Cc1ccccc1C(=O)CC(=O)C(=O)O	040	4-(2-methylphenyl)-2,4-dioxobutanoic acid
+C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O	041	2-(3-fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol
+CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC	042	n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-threonyl-l-isoleucine
+c1cc(cc(c1)Br)C(=O)CC(=O)C(=O)O	043	4-(3-bromophenyl)-2,4-dioxobutanoic acid
+CC1=C(C(=O)N(N1C[C@@H](C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC	044	n-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2r)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)CO)O)O)O)O	045	beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranosyl alpha-d-glucopyranoside
+CC(=O)Nc1cc(ncn1)Oc2ccc3c(c2)CCN3C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	046	5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1h-indole-1-carboxamide
+Cc1ccc(cc1)n2cc(c3c2cccc3)CNCC4CCCCC4	047	1-cyclohexyl-n-{[1-(4-methylphenyl)-1h-indol-3-yl]methyl}methanamine
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCCCC4=O	048	n-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)amino]phenyl}benzamide
+CC(=O)N[C@@H](Cc1ccccc1)[C@H]([C@]2(CO2)C)O	049	2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-d-xylitol
+c1ccc(cc1)CC(=O)Nc2nnc(s2)CCSCCc3nnc(s3)NC(=O)Cc4ccccc4	04A	n,n'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide)
+C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)N)O	04B	2-amino-1,2,4-trideoxy-4-methyl-1-phenyl-d-xylitol
+C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3)O	04C	1,2,4-trideoxy-4-methyl-2-{[n-(morpholin-4-ylacetyl)-l-alanyl-o-methyl-l-tyrosyl]amino}-1-phenyl-d-xylitol
+C[C@H](CO)[C@H]([C@H](CC(C)C)N)O	04D	(2r,3r,4s)-4-amino-2,6-dimethylheptane-1,3-diol
+C(C(=O)O)I	04E	iodoacetic acid
+C1CNC(=O)[C@@H]1C[C@@H]([C@@H](O)S(=O)(=O)O)N	04F	(1s,2s)-2-amino-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1cc2c(cc1O)OC3=CC(=O)C=CC3=N2	04G	7-hydroxy-3h-phenoxazin-3-one
+[H]/N=C(\N)/N1CCC[C@H](C1)CN	04H	(3s)-3-(aminomethyl)piperidine-1-carboximidamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N	04J	aminopterin
+CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4)F)C	04K	2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1ccc(cc1C(=O)Nc2cc3c([nH]c(n3)c4ccccc4)nc2)NC(=O)/C=C/c5ccccc5	04L	2-methyl-n-(2-phenyl-3h-imidazo[4,5-b]pyridin-6-yl)-5-{[(2e)-3-phenylprop-2-enoyl]amino}benzamide
+CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3	04M	5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid
+c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O	04N	2-amino-2-deoxy-4,6-o-(phenylmethylidene)-alpha-d-glucopyranose
+c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O	04O	2-amino-2-deoxy-4,6-o-[(1r)-3-phenylpropylidene]-alpha-d-glucopyranose
+[H]/N=C(\N)/N1CCC[C@H](C1)CO	04P	(3r)-3-(hydroxymethyl)piperidine-1-carboximidamide
+c1ccc(cc1)CNCC(=O)O	04Q	n-benzylglycine
+C1CCc2c(c(nn2CC(=O)O)C(F)(F)F)C1	04R	[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetic acid
+C1CNC[C@@H]1N	04S	(3r)-pyrrolidin-3-amine
+CC(=O)Nc1ccc(cc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)C	04T	n-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide
+C1[C@@H](CN[C@@H]1C(=O)O)N=[N+]=N	04U	azanylidene-[(3s,5s)-5-carboxypyrrolidin-3-yl]imino-azanium
+[H]/N=C(/[C@@H]1CCCN1)\O	04V	(2s)-pyrrolidine-2-carboximidic acid
+CCCCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)[N+](=O)[O-]	04W	2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid
+C1COCCN1CC2=CC[C@H](NC2)C(=O)O	04X	(2s)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid
+c1ccc(cc1)c2ccncc2N3CCC(CC3)C(=O)NC4CC4	04Y	n-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide
+COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	04Z	4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H]4CC[C@H](C[C@H]4C(=O)O)C(=O)O	051	(1r,3r,4s)-4-[({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)amino]cyclohexane-1,3-dicarboxylic acid
+Cc1cc(ccc1C(=O)NC2CC2)c3cnn4c3nc(cc4NCCN5CCOCC5)Oc6ccccc6	052	n-cyclopropyl-2-methyl-4-(7-{[2-(morpholin-4-yl)ethyl]amino}-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzamide
+c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O	053	1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1h-indole-2-carboxylic acid
+c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)N4C(=O)c5cscc5NC4=O	054	1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4h)-yl)-5-(trifluoromethyl)-1h-indole-2-carboxylic acid
+Cc1cccc(c1NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](c4ccccc4)C(=O)O)Cl	055	(2s)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid
+c1cc(cc(c1)C(=O)O)CSCc2ccc(cc2Cl)Cl	056	3-[(2,4-dichlorophenyl)methylsulfanylmethyl]benzoic acid
+CC(C)(CO)NC(=O)c1ccc2c(c1)c(cn2C)c3cc4cccnc4[nH]3	057	n-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indole-5-carboxamide
+c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl	058	1-benzyl-5-chloro-3-(2-fluorophenyl)-1h-indole-2-carboxylic acid
+CC(C)[C@H](NS(=O)(=O)CCc1ccccc1)[P@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	059	(2s)-2-[3-(aminomethyl)phenyl]-3-{(s)-hydroxy[(1r)-2-methyl-1-{[(2-phenylethyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid
+c1cc2c(cc1c3nccc(n3)c4cc5c([nH]4)C6(CCNCC6)CNC5=O)OCO2	05B	2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'h)-one
+Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5CCNC[C@H]5C)OC[C@@H]6CCCN6C)C3	05C	7-(8-methylnaphthalen-1-yl)-4-[(2~{r})-2-methylpiperazin-1-yl]-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine
+Cc1cnn(c1)c2ccncc2N3CCC(CC3)C(=O)N(C)C	05D	n,n-dimethyl-1-[4-(4-methyl-1h-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide
+Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5[C@@H]6CC[C@H]5CNC6)OC[C@@H]7CCCN7C)C3	05F	4-[(1~{r},5~{s})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine
+Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5C[C@H]6CC[C@@H](C5)N6)OC[C@@H]7CCCN7C)C3	05I	4-[(1~{s},5~{r})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine
+CC[C@]1(CCc2c1nc(cc2)N3c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C(=O)N3CC=C)O	05J	1-[(7r)-7-ethyl-7-hydroxy-6,7-dihydro-5h-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	05L	heptyl 1-seleno-beta-d-glucopyranoside
+CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccc4	05M	2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione
+C[C@H]1[C@H](CN[C@@H]1C(=O)O)O	05N	(3r,4r)-4-hydroxy-3-methyl-l-proline
+c1cc(ccc1C[C@@H](C(=O)O)N)OC(F)(F)F	05O	(2s)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanal
+c1cc(c(cc1CC(=O)O)Cl)Cl	05R	2-(3,4-dichlorophenyl)ethanoic acid
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](CNCCC2)C)C(=O)N	05S	(6s)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide
+[H]/N=C(\N)/NC1CCC(CC1)CN	05T	1-[4-(aminomethyl)cyclohexyl]guanidine
+CC(C)C[C@@H]([C@H](C(C)C)O)N	05U	(3s,4s)-4-azanyl-2,6-dimethyl-heptan-3-ol
+C[C@H](CO)[C@@H]([C@H](CC(C)C)N)O	05W	(2r,3s,4s)-4-azanyl-2,6-dimethyl-heptane-1,3-diol
+CN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F	05X	2,4,6-tris(fluoranyl)-n-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide
+CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3	05Y	~{n}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide
+CSC[C@H](C(=O)O)N	060	s-methyl-d-cysteine
+CCCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)O	061	2-butyl-6-hydroxy-3-[2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-quinazolin-4-one
+c1ccc2c(c1)-c3c[n+](ccc3[C@]2(C(=O)N4CCC[C@H]4C(=O)NCc5cc(ccc5CN)Cl)O)[O-]	062	3-aza-9-hydroxy-9-fluorenylcarbonyl-l-prolyl-2-aminomethyl-5-chlorobenzylamide, n-oxide
+C[C@]1(c2cc(c(cc2CCN1)OCCOCCNC(=O)[C@H](CCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Oc3ccc(c(c3)F)c4ccc(cc4)C(=O)O)CC(=O)Nc5nccs5	063	4'-{[(1r)-6-{2-[2-({n~5~-[n,n'-bis(tert-butoxycarbonyl)carbamimidoyl]-n~2~-(tert-butoxycarbonyl)-l-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(c(c3)Cl)\C=C\c4cccc(c4)C(=O)O	064	3-[(e)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	065	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(2s,3r)-3-hydroxy-4-(n-isobutylbenzo[d][1,3]dioxole-5-sulfonamido)-1-phenylbutan-2-ylcarbamate
+Cc1cc(cc2c1ncc(c2Nc3cccc(c3)OC)C(=O)N)S(=O)(=O)c4cccc(c4)C(=O)N(C)C	066	6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide
+c1cc(ccc1n2cc(nn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N	067	p-(4-ruthenocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide
+CC(=O)c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O	068	(3s)-5-(4'-acetylbiphenyl-4-yl)-3-hydroxypentanoic acid
+c1cc(cc(c1)O)C(=O)NO	069	n,3-dihydroxybenzamide
+C[C@H](C(=O)N1CC2(C1)CC(C2)F)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3	06A	 1-cyclopentyl-6-[[(2r)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5h-pyrazolo[3,4-d]pyrimidin-4-one
+COc1ccc(c(c1C(=O)O)OC)Br	06B	3-bromo-2,6-dimethoxybenzoic acid
+CI	06C	iodomethane
+CCC(=O)N1CCC[C@H]1c2ccc(cc2)OC	06D	1-[(2~{s})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
+c1c(cnc2c1sc3c2N=C(NC3=O)CNCCCCCC(=O)O)Br	06E	6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccc5c(c4)CCCCC5=O	06F	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)amino]phenyl}urea
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](C(=O)N(CCC2)C)C)C(=O)N	06H	(6s)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide
+Cc1c(ncs1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	06I	5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NC[C@H]5CCCN5CCC2)C(=O)N	06J	(3ar)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13h-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide
+CS(=N)(=O)C1(CC1)c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5=CN(C(=O)c6c5cc[nH]6)CCC=C	06M	6-(but-3-en-1-yl)-4-[6-{1-[(r)-s-methanesulfonimidoyl]cyclopropyl}-2-(1h-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+CCCNc1nn2c(cnc2s1)c3ccc(cc3)O	06N	4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol
+C[n+]1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	06P	d-phenylalanyl-n-[(1-methylpyridinium-4-yl)methyl]-l-prolinamide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F	06R	2-[4-(trifluoromethyl)phenyl]-3h-quinazolin-4-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)COP(=O)(O)S)S)OP(=O)(O)S)O)NC(=NC2=O)N	06S	o-[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[(s)-({(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (s)-phosphorothioate
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H]([C@@H](CN(CC2)C(=O)[C@H](C)N)C)C)C(=O)N	06T	(5r,6s)-3-(l-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccncc3	06U	6-ethyl-5-{(3r)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)N3CCOCC3	06V	6-ethyl-5-{(3r)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3ccncc3	06W	6-ethyl-5-{(3s)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN	06X	amlodipine
+c1ccc(cc1)OCC(=O)O	06Y	2-phenoxyethanoic acid
+c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)F)N	06Z	{4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
+c1ccc(cc1)C[C@@H]2[C@H](O2)[C@@H]([C@H](Cc3ccccc3)N)O	070	(1r,2s)-2-azanyl-3-phenyl-1-[(2r,3r)-3-(phenylmethyl)oxiran-2-yl]propan-1-ol
+Cn1c-2c(c(n1)C(=O)N)CCc3c2nc(nc3)Nc4cc(ccc4OC)N5CCN(CC5)C	071	8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+CCCCCCC[C@H]1N(C(=O)[C@@H](S1)CC(=O)N(Cc2ccccc2)Cc3ccccc3)CCCCc4ccc(cc4)C(=O)O	072	(+/-)(2s,5s)-3-(4-(4-carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine
+COC(=O)c1ccc(cc1)[C@@](C\C=C\c2ccccc2)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4	073	(4-{(2s,4e)-2-(1h-1,2,3-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-enyl}phenyl)(difluoro)methylphosphonic acid
+CCCNC(=O)[C@H](CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)O)O	074	[propylamino-3-hydroxy-butan-1,4-dionyl]-isoleucyl-proline
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CS(=O)(=O)C)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C	075	(4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-l-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]2[C@H](O2)Cc3ccccc3)O)NC(=O)COc4ccccc4	076	(s)-n-((1r,2s)-1-((2r,3r)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide
+c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O	077	(3s)-5-biphenyl-4-yl-3-hydroxypentanoic acid
+c1ccc(cc1)C[C@@H]([C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)N	078	(2r,3r,4r,5s)-3,5-bis(azanyl)-1,6-diphenyl-hexane-2,4-diol
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)NC(=O)COc3ccccc3	079	(s)-n-((2s,3s,4r,5r)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide
+COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)O)O	07B	dimethyl (1s,2s,4s,5s)-4,5-dihydroxycyclohexane-1,2-dicarboxylate
+CSc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-]	07C	2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline
+CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)C(=O)C)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C	07D	trans-geranyl bacteriochlorophyll a
+C[C@@H](CCO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O	07E	(3s)-3-hydroxybutyl beta-d-xylopyranoside
+CC1=C(C(=O)N(C(=N1)c2cccc(c2O)F)CCc3ccccc3)Cc4ccccc4	07F	5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3h)-one
+CC(C)(C)NC(=O)[C+](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(c(c3)F)F)C=O	07G	2-(tert-butylamino)-1-(2-carboxy-6-chloro-1h-indol-3-yl)-1-[(3,4-difluorobenzyl)(formyl)amino]-2-oxoethylium
+c1ccc2c(c1)C=C(CO2)CN3CCN(CC3)C(=O)c4cccc(c4)c5ccn[nH]5	07H	[4-(2h-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1h-pyrazol-5-yl)phenyl]methanone
+C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2CC(=CC(=O)O2)C)C)NC(=O)/C=C\[C@H](C)OC(=O)C	07I	spliceostatin e (form i)
+CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl	07J	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea
+Cc1cccc2c1nccc2N	07K	8-methylquinolin-4-amine
+c1cc2c(cc1O)OC(=O)C=C2	07L	7-hydroxy-2h-chromen-2-one
+c1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3	07M	8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1h-pyrano[3,4-c]pyridine-5-carbonitrile
+Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2F)c3ncc(s3)C(=O)O)Cl)Cl	07N	2-[(3s,4r)-4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
+C[C@@H](c1ccccc1)C(=O)SC[C@@H](C(=O)O)N	07O	s-[(2s)-2-phenylpropanoyl]-l-cysteine
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCC[C@@H]2C[C@H]2CCCCCCCCCC)O	07P	n-[(2s,3r)-10-[(1r,2r)-2-decylcyclopropyl]-1-(alpha-d-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide
+C[C@H](c1cccc(c1)OC)NC(=O)Nc2nc(cs2)c3ccncc3	07Q	1-[(1r)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
+c1cc(cc(c1)O)CNC(=O)Nc2nc(cs2)c3ccncc3	07R	1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
+c1cc(cnc1)c2cnc(s2)Nc3cc(ccn3)N4CCN(CC4)CC(=O)N5CCOCC5	07S	1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone
+Cn1c2cc(sc2c3c1C(=O)N(N=C3)Cc4cccc(c4)N)[S@](=O)C	07T	6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
+CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	07U	2-methyl-n~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine
+CC1=CC[C@H](CC1=O)C(=C)C	07V	(5r)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O	07Y	(2s,3r,4r,5r)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol
+c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)O)N	07Z	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid
+C[C@]1(C(=O)NC(=O)O1)c2cccc(c2)CN3c4ccccc4N(C3=O)c5c6ccc(cc6on5)OC	082	(5r)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione
+Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C	083	4,6-dimethyl-n'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamide
+C[C@@H](c1ccccc1)Nc2nccc(n2)c3c(nc(n3C)C4CCNCC4)c5cccc(c5)C(F)(F)F	084	4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1h-imidazol-2-yl]-piperidine
+c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5	085	4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1h-imidazol-2-yl]benzamide
+Cc1c(c(c([nH]1)C(=O)NC2CCN(CC2)c3cc(cc(n3)Cl)C(=O)N)Cl)Cl	087	2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4c(c3)ccn4Cc5cccc(c5)C(=O)O	088	3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1h-indol-1-yl)methyl]benzoic acid
+CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3cc(c4c(c3)CN(CC4)C(=O)c5ccccc5)C	08A	(3s)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1h-benzotriazol-5-yl)propanoic acid
+Cc1c(cc([nH]1)C(=O)NC2CCN(CC2)c3c(cccn3)[N+](=O)[O-])Br	08B	4-bromo-5-methyl-n-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1h-pyrrole-2-carboxamide
+COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	08C	2-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one
+Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N	08D	sulfamethoxazole
+c1cc2c(cc1Cl)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O	08E	1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid
+CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NC(=O)c2c(c3cc(ccc3n2Cc4ccnc(c4)N)Cl)C5=CC=CNC5=O	08F	1-[(2-aminopyridin-4-yl)methyl]-5-chloro-n-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide
+C[C@@H](c1ccccc1)NC(=O)Nc2cc3c(cn[nH]3)c(n2)CO	08G	1-[4-(hydroxymethyl)-1h-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1s)-1-phenylethyl]urea
+Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl	08H	8-chloro-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
+CCc1c(c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c\5/c6n/c(c\c1[nH]2)/C(=C6C(=O)[C@@H]5C(=O)OC)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)C(=C3C(=O)C)C)C	08I	trans-geranyl bacteriopheophytin a
+Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl	08J	8-chloro-6-(2-fluorophenyl)-1-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine
+Cc1nnc2n1-c3ccc(cc3C(=NN2C)c4ccccc4)Cl	08K	8-chloro-1,4-dimethyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine
+c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)C=CC(=O)N[C@H](C(=O)N2)CC3CCCCC3)C(=O)O)CCCNC(=O)c4cnccn4	08L	(2s,5s,8s,13s,16z)-5-benzyl-2-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxylic acid
+c1cnc(cn1)C(=O)NCCC[C@@H](C(=O)O)N	08M	n~5~-(pyrazin-2-ylcarbonyl)-l-ornithine
+C([C@H](C(=O)O)NC(=O)C(=O)O)S	08P	n-(carboxycarbonyl)-d-cysteine
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(NCCS)O)O	08Q	5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3OC	08R	6-{[(3s,4s)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3c(c4ccc(cc4s3)F)Cl	08S	3-chloro-6-fluoro-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]-1-benzothiophene-2-carboxamide
+[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F	08T	[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium 
+C([C@H]1[C@@H]([C@H]([C@H](O1)NC(=O)CBr)O)O)O	08U	2-bromanyl-n-[(2s,3r,4r,5s)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide
+CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C	08W	n-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1h-imidazole-4-carboxamide
+c1ccc(cc1)C=CC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)/C=C\C(=O)N2)C(=O)N)CCCNC(=O)c3cnccn3)CC4CCCCC4	08X	(2s,5s,8s,13s,16z)-5-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-2-(3-phenylprop-2-en-1-yl)-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxamide
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O	08Y	bromoergocryptine
+c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)N)N	08Z	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide
+COc1ccc2c(c1OC)nc([n+]3c2[nH]cc3)NC(=O)c4cccnc4	090	n-(2,3-dihydro-7,8-dimethoxyimidazo[1,2-c] quinazolin-5-yl)nicotinamide
+c1ccc2c(c1)[C@]3(CCNC3)C(=O)N2	091	(3s)-spiro[indole-3,3'-pyrrolidin]-2(1h)-one
+COC(=O)[C@H]1C[C@@]2(CN1)c3ccccc3NC2=O	092	methyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+CC1=C(SC(=NC(=O)C)N1)c2ccc(c(c2)S(=O)(=O)NCCO)Cl	093	n-(5-(4-chloro-3-(2-hydroxy-ethylsulfamoyl)- phenylthiazole-2-yl)-acetamide
+c1cc(c(c(c1)Cl)N2c3cc(c(nc3CNC2=O)Sc4ccc(cc4F)F)C5=CCNCC5)Cl	094	1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]-7-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1h)-one
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4CCOCC4)C(=O)N2	095	tetrahydro-2h-pyran-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+CN1CCN(CC1)CCCc2cc(c(cc2[C@@H]3N(C(=O)CS3)c4cccnc4)OC)O	096	(2r)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-one
+CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C	097	(2s,3r)-n~4~-[(1s)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-n~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)[C@@H](C(=O)NO)NCC4CC4)O	098	(3r)-n~2~-(cyclopropylmethyl)-n~1~-hydroxy-3-(3-hydroxybenzyl)-n~4~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-l-aspartamide
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)CC(=O)NO)O	099	(2r)-n~4~-hydroxy-2-(3-hydroxybenzyl)-n~1~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]butanediamide
+c1ccc(cc1)COC(=O)[C@H]2C[C@@]3(CN2)c4ccccc4NC3=O	09A	benzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(cc4)C#N)C(=O)N2	09B	4-cyanobenzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1cc2c(cc1Br)[nH]cc2[C@H]3C(=O)NCC(N3)c4c[nH]c5c4ccc(c5)Br	09C	(3s,5r)-3,5-bis(6-bromo-1h-indol-3-yl)piperazin-2-one
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCSc5c4cc(cc5)Br)C(=O)N2	09D	(4s)-6-bromo-3,4-dihydro-2h-thiochromen-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCS(=O)(=O)c5c4cc(cc5)Br)C(=O)N2	09E	(4s)-6-bromo-1,1-dioxido-3,4-dihydro-2h-thiochromen-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4(CCCCC4)C#N)C(=O)N2	09F	1-cyanocyclohexyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(c(c4)Br)C#N)C(=O)N2	09G	3-bromo-4-cyanobenzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc(c(c1)NC(=O)c2csc(n2)c3ccc4c(c3)CCO4)N5CCNCC5	09H	2-(2,3-dihydro-1-benzofuran-5-yl)-n-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3c(o2)cccc3F)N4CCCCCC4)N	09I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide
+CCN1C(=O)C(=Cc2n1c(nn2)c3c(cccc3Cl)F)c4cc(ccc4C)C(=O)NC5CC5	09J	3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-n-cyclopropyl-4-methylbenzamide
+c1cc(ccc1CC(=O)Nc2cc(n[nH]2)C3CC3)OC(F)(F)F	09K	n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
+c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F	09L	4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2h)-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccccc3N(C2=O)O)O	09M	(5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)O)O	09N	(11z,14z)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
+c1cc(cnc1)N2CCCNCC2	09O	1-(pyridin-3-yl)-1,4-diazepane
+CCOc1cc(cnc1)N2CCCNCC2	09P	1-(5-ethoxypyridin-3-yl)-1,4-diazepane
+c1ccc(cc1)c2cc(cnc2)N3CCCNCC3	09Q	1-(5-phenylpyridin-3-yl)-1,4-diazepane
+c1cc(ncc1N2CCCNCC2)Br	09R	1-(6-bromopyridin-3-yl)-1,4-diazepane
+CCOc1cc(cnc1Br)N2CCCNCC2	09S	1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane
+Cc1cc2c(cc1C)n(cn2)Cc3ccc(c(c3)Cl)Cl	09T	1-(3,4-dichlorobenzyl)-5,6-dimethyl-1h-benzimidazole
+COCC1CC1	09U	(methoxymethyl)cyclopropane
+C1CC1CO	09V	cyclopropylmethanol
+C([C@H]1[C@@H]([C@H]([C@@H](O1)NC(=O)CBr)O)O)O	09X	2-bromanyl-n-[(2r,3r,4r,5s}-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide
+CC(C)Nc1nc(c(s1)C(=O)c2cccnc2)N	09Z	[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N	0A	l-adenosine-5'-monophosphate
+C[C@](CC(=O)O)(C(=O)O)N	0A0	2-methyl-l-aspartic acid
+COc1ccc(cc1)C[C@@H](C(=O)O)N	0A1	o-methyl-l-tyrosine
+[B-]([C@H](CCCCN)N)(O)(OCC)OCC	0A2	[(1r)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-)
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c2csc(n2)N)C(=O)O	0A3	(2r)-2-[(r)-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2cccs2	0A4	(2r)-2-{(r)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C(CC(=O)O)CBr	0A5	4-bromobutanoic acid
+CCOC(=O)[C@@H](CC(=O)O)O	0A6	(3r)-4-ethoxy-3-hydroxy-4-oxobutanoic acid
+c1ccc(c(c1)CC(=O)O)C(=O)O	0A7	2-(carboxymethyl)benzoic acid
+C(CCl)NC(=O)SC[C@@H](C(=O)O)N	0A8	s-[(2-chloroethyl)carbamoyl]-l-cysteine
+COC(=O)[C@H](Cc1ccccc1)N	0A9	methyl l-phenylalaninate
+CC(C)[C@@H](C(=O)OC)N	0AA	methyl l-valinate
+C[C@H]1C=COC(=O)[C@H]1N	0AB	(3s,4s)-3-amino-4-methyl-3,4-dihydro-2h-pyran-2-one
+c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N	0AC	(4s,5s)-5-amino-4-hydroxy-6-phenylhexanoic acid
+CCCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	0AD	2'-deoxy-n-propylguanosine 5'-(dihydrogen phosphate)
+CC(C)[C@H]1C2(CCC2)C[NH+]1Cc3ccc4c(c3)cccc4NC[C@@]5(CCCN(C5)c6cc(ncn6)NCc7ccccc7)O	0AE	(3~{r})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{s})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol
+c1cc2c(c[nH]c2c(c1)O)C[C@@H](C(=O)O)N	0AF	7-hydroxy-l-tryptophan
+CCOC(=O)N[C@@H](CC(C)C)C(=O)O	0AG	n-(ethoxycarbonyl)-l-leucine
+C([C@@H](C(=O)O)N)OC(=O)CBr	0AH	o-(bromoacetyl)-l-serine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)C(=O)O)O)O	0AI	methyl 2-(acetylamino)-2-deoxy-alpha-d-galactopyranosiduronic acid
+CCS[C@H](C)SC	0AJ	(1r)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane
+C(CCl)OC(=O)C[C@@H](C(=O)O)N	0AK	(2s)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O	0AL	4-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+CCCSSCCCNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	0AM	2'-deoxy-n-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)cccc2C[C@@H](C=O)N	0AO	(2s)-2-amino-3-naphthalen-1-ylpropanal
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)OP(=O)(O)O	0AP	2'-deoxycytidine 3',5'-bis(dihydrogen phosphate)
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)C	0AR	n-[n-[(4s)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	0AS	asiatic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O	0AT	2-(acetylamino)-2-deoxy-6-o-phosphono-alpha-d-glucopyranose
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)I	0AU	5-iodouridine 5'-(dihydrogen phosphate)
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	0AV	2'-o-methyladenosine 5'-(dihydrogen phosphate)
+B([C@H](CCCCN)N)(OCC)OCC	0AY	diethyl [(1r)-1,5-diaminopentyl]boronate
+C1[C@H](CN[C@H]1C(=O)O)O	0AZ	(4r)-4-hydroxy-d-proline
+CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(c3)c4cccc(c4)OC	0B1	2-amino-6-[(1s,2r)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3h)-one
+C[C@H](CO)C(=O)[C@H](CC1CCCCC1)N	0B2	(2s,4r)-2-amino-1-cyclohexyl-5-hydroxy-4-methylpentan-3-one
+C[C@]1(CC(=O)N(C(=N1)N)C)CCc2ccccc2	0B3	(6r)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3h)-one
+C[C@]1(CC(=O)N(C(=N1)N)C)[C@@H]2C[C@H]2c3ccccc3	0B4	(6s)-2-amino-3,6-dimethyl-6-[(1r,2r)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3h)-one
+C[C@]1([C@H]([C@H](OC(=N1)N)C(C)(F)F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF	0B5	~{n}-[3-[(4~{r},5~{r},6~{s})-2-azanyl-6-[1,1-bis(fluoranyl)ethyl]-5-fluoranyl-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+C[C@]1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	0B6	~{n}-[3-[(4~{s})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NC[C@@]4(CCCN(C4)c5c6cc[nH]c6ncn5)O	0BA	2-oxidanyl-n-[[(3r)-3-oxidanyl-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3s)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
+Cc1cccc2c1c(cs2)CN3c4ccccc4N(C3=O)CCCC(=O)O	0BB	4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}butanoic acid
+CCOc1ccc(cc1NC(=O)c2cc(cc(c2)c3n[nH]nn3)c4cscn4)C(=O)C	0BC	~{n}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{h}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide
+CC(C)CC(CC(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)CO)O)O)O)O)O	0BD	3-methyl-1-(2-methylpropyl)butyl 4-o-beta-l-gulopyranosyl-beta-d-glucopyranoside
+[Be+2]	0BE	beryllium
+c1ccc2c(c1)cccc2c3ccc(o3)CN4C(=O)CSC45CCN(CC5)C(=O)CCl	0BF	8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
+CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6cccc7c6ccs7)O	0BH	n-[[(3r)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3s)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
+CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O	0BI	(4s)-4-[(1r)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+Cc1cc(c(c(c1)O)C(=O)c2c(cccc2O)O)C(=O)OC	0BJ	methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate
+C[C@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc(ncn3)OC)S(=O)(=O)C	0BK	n-{3-[(2s,5r)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide
+[H]/N=C(\N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)C	0BM	n-(methylsulfonyl)-d-phenylalanyl-n-[(1-carbamimidoylpiperidin-4-yl)methyl]-l-prolinamide
+[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)N)/N	0BN	4-carbamimidoyl-l-phenylalanine
+c1ccnc(c1)c2ccccn2	0BP	2,2'-bipyridine
+c1ccc2c(c1)[nH]c(n2)C3=NNC(=O)N3	0BQ	5-(1h-benzimidazol-2-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+CC[C@H]1C[N@]2CC[C@@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)O	0BR	(4beta,8alpha,9r)-6'-methoxy-10,11-dihydrocinchonan-9-ol
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)I)P(=O)(O)O	0BT	1-{2-deoxy-3,5-o-[(4-iodophenyl)(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	0BU	8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic  acid
+c1ccc2c(c1)cc(c3c2cccc3)CC=O	0BV	phenanthren-9-ylacetaldehyde
+CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(c3)OC)C(=O)OC	0BW	methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
+c1ccc(cc1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0BX	4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Cl	0BY	4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)F	0BZ	4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
+C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O	0C	l-cytidine-5'-monophosphate
+c1ccc(cc1)c2ccccc2Nc3ccnc(n3)Nc4ccc(cc4)C(=O)O	0C0	4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid
+CS(=O)(=O)NC(=O)c1c(c2c(n1Cc3cc(ccc3F)F)ccc4c2OCC4)C5=CC=CNC5=O	0C1	6-(2,5-difluorobenzyl)-n-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-e]indole-7-carboxamide
+C[C@@H]1COc2c1ccc3c2c(c(n3Cc4cc(ccc4F)F)C(=O)NS(=O)(=O)C)C5=CC=CNC5=O	0C2	(3s)-6-(2,5-difluorobenzyl)-3-methyl-n-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-e]indole-7-carboxamide
+c1ccc(c(c1)C(F)(F)F)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0C3	4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Br	0C4	4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
+c1ccc(c(c1)C#N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0C5	4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
+c1ccc(c(c1)Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)O)F)Cl	0C6	4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)c4[nH]nnn4)Cl	0C7	n~4~-(2-chlorophenyl)-n~2~-[4-(1h-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)OC(F)(F)F	0C8	4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid
+c1ccc(c(c1)C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0C9	2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
+[H]/N=C(\c1ccc2ccc(cc2c1)Cn3c4cc(cc(c4cc3C(C)C)C(=O)O)OC5CCN(CC5)C(=N)C)/N	0CA	1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1h-indole-4-carboxylic acid
+[H]/N=C(\C)/N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4ccc(cc4c3)/C(=N\[H])/N)S(=O)(=O)CC(=O)O	0CB	{[(7-carbamimidoylnaphthalen-2-yl)methyl][4-({1-[(1e)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]sulfamoyl}acetic acid
+C[C@@]12C[C@H]3[C@]4(C=CC(=O)C([C@@H]4CC[C@@]35[C@@]16COC(=O)C6=C[C@](C5)(C2=O)C)(C)C)C	0CC	andiconin d
+CC(C)n1c2ccc(cc2c3c1c4c(c5c3C=NC5=O)-c6cn(nc6CC4)C)[C@@H]7CCCCO7	0CE	2-methyl-11-(1-methylethyl)-8-[(2s)-tetrahydro-2h-pyran-2-yl]-2,11,12,13-tetrahydro-4h-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one
+C#CCOP(=O)(O)OP(=O)(O)O	0CG	prop-2-yn-1-yl trihydrogen diphosphate
+C(CCOP(=O)(O)OP(=O)(O)O)CO	0CH	4-hydroxybutyl trihydrogen diphosphate
+CCC(=O)N1CC[C@@H](C1)Oc2c3ccccc3cc(n2)C4=NNC(=O)N4	0CI	5-(1-{[(3s)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+CC(=O)CCCOP(=O)(O)OP(=O)(O)O	0CJ	4-oxopentyl trihydrogen diphosphate
+c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F	0CK	4-[1-cyclohexyl-4-(4-fluorophenyl)-1h-imidazol-5-yl]pyrimidin-2-amine
+C(CCl)CCl	0CL	1,3-dichloropropane
+CC#CCOP(=O)(O)OP(=O)(O)O	0CM	but-2-yn-1-yl trihydrogen diphosphate
+C=C=CCOP(=O)(O)OP(=O)(O)O	0CN	buta-2,3-dien-1-yl trihydrogen diphosphate
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@H](CO4)CC(C)(C)O)C	0CO	(1s,3r,5z,7e,14beta,17alpha,23r)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
+COc1ccc(cc1O[C@H]2C[C@@H]3CC[C@H]2C3)C4CNC(=O)NC4	0CP	5-{3-[(1s,2s,4r)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1h)-one
+COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O	0CR	momo-2-[4-(2-(4-(methoxy)-1h-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1h-1,2,3-triazol-1-y l)propanoic acid]-cryptophane-a
+C([C@@H](C(=O)O)N)[S@@](=O)OO	0CS	3-[(s)-hydroperoxysulfinyl]-l-alanine
+c1ccc2c(c1)[nH]nn2	0CT	1h-benzotriazole
+c1c(cc(c2c1nn[nH]2)Cl)Cl	0CU	5,7-dichloro-1h-benzotriazole
+Cc1cc(cc2c1nc3c(c2N4CCNCC4)c(n[nH]3)C)OC	0CV	6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1h-pyrazolo[3,4-b]quinoline
+CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O)C)O	0CX	(2r,3as,5ar,5bs,9s,13s,14r,16as,16br)-9-ethyl-2,13-dihydroxy-14-methyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-1h-as-indaceno[3,2-d]oxacyclododecine-7,15-dione
+c1cc(ccc1C(c2ccc(cc2)O)(C(F)(F)F)C(F)(F)F)O	0CZ	4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol
+c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)O)O	0D1	4,4'-(2,2-dichloroethene-1,1-diyl)diphenol
+c1ccc(cc1)[C@@]2(C(=O)NC(=O)N2)[C@@]3(C(=O)NC(=O)N3)c4ccccc4	0D2	(4r,4's)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone
+	0D3	n-[(2s)-2-benzyl-3-sulfanylpropanoyl]-l-alanylglycinamide
+CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCNCC3	0D6	n-{(1r)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-n~2~-(piperazin-1-ylcarbonyl)-l-leucinamide
+C(CN)CO	0D8	3-aminopropan-1-ol
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N	0DA	2'-deoxy-l-ribo-furanosyl adenosine-5'-monophosphate
+	0DB	n-({1-[(2s)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-l-tryptophan
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	0DC	2'-deoxy-l-ribo-furanosyl cytosine-5'-monophosphate
+CN1c2cc(cnc2NC1=O)c3ccccc3	0DF	1-methyl-6-phenyl-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one
+c1nc2c(n1[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	0DG	2'-deoxy-l-ribo-furanosyl guanine-5'-monophosphate
+c1cc(cc(c1)Cl)C[C@H](C(=O)N2CCN(CC2)C(=O)c3cc(ccc3F)F)N	0DI	(2r)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one
+CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N	0DJ	3-(1-methyl-2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)benzamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O	0DN	5'-deoxy-5'-fluorothymidine
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@@]3CC[C@H](C[C@H]3C(=O)NC(C)(C)C)S(=O)(=O)c4ccncc4)O)C	0DO	(2r,4s)-n-tert-butyl-1-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxamide
+c1ccc(cc1)c2c(snn2)N	0DQ	4-phenyl-1,2,3-thiadiazol-5-amine
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N	0DS	n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-l-leucyl-l-phenylalaninamide
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O	0DT	2'-deoxy-l-ribo-furanosyl thymidine-5'-monophosphate 
+CC1=CC(=C(C(=O)N1C)c2ccc(cc2)C[C@@H](C(=O)O)NC(=O)c3c(cccc3Cl)Cl)C(F)(F)F	0DU	n-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-l-phenylalanine
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)C(C)C)C)CO	0DV	(4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrod icyclopenta[a,d][8]annulen-4-yl alpha-d-gulopyranoside
+CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCOCC6)NCCCN7CCN(CC7)C)CCCN8CCOCC8	0DX	4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
+	0DY	n~1~-(3-aminobenzyl)-n~2~-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-aspartamide
+CC(C)(CO)[C@H]1CC2=C(CO1)c3ccccc3C(=O)N2	0E0	(3r)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6h-pyrano[4,3-c]isoquinolin-6-one
+CC(C)[C@H]1Cc2c(cc(c(n2)O)C#N)CO1	0E1	(7r)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5h-pyrano[4,3-b]pyridine-3-carbonitrile
+CC[C@](C)([C@@H](C(=O)O)N)O	0E5	(2s,3r)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid
+c1ccc(cc1)COC[C@@H](C(=O)CCl)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)OCc2ccccc2	0E6	amino{[(4s)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2s)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium
+[H]/N=C(\N)/NCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC	0E7	methyl n-(4-carbamimidamidobutanoyl)-l-phenylalanyl-l-allothreonyl-l-phenylalaninate
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O	0E8	di-tert-butyl {iminobis[(2s,3s)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate
+	0E9	benzyl [(1r,4s,6s,9r)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate
+CN[C@@H]([C@@H](c1ccc(c(c1)O)O)O)C(=O)O	0EA	(betar)-beta,3-dihydroxy-n-methyl-l-tyrosine
+COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3	0EC	6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine
+	0ED	n-[(1s)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-l-leucyl-n-(2-morpholin-4-ylethyl)-l-phenylalaninamide
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)NC(=O)O)NC(=O)OC(C)(C)C	0EF	n-(tert-butoxycarbonyl)-l-alanyl-n-[(1r)-1-(carboxyamino)-2-phenylethyl]-l-prolinamide
+	0EG	n-(tert-butoxycarbonyl)-l-alanyl-n-[(1r)-1-(dihydroxyboranyl)-2-methylpropyl]-l-prolinamide
+CCCCCCC[C@](C)(C(=O)O)N	0EH	(2r)-2-amino-2-methylnonanoic acid
+Cn1c(c(nc1SC)c2ccc(cc2)F)c3ccnc(c3)Nc4ccc/5c(c4)CCc6cc(ccc6/N=N5)NC(=O)CCCN(C)C	0EI	4-(dimethylamino)-n-[(5z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide
+C(C(=O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O	0EJ	(2-oxo-2-{[(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid
+	0EK	6-ammonio-n-{[(2r,3r)-3-{[n-(tert-butoxycarbonyl)-l-phenylalanyl-3-(1h-imidazol-3-ium-4-yl)-l-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-l-norleucyl-l-phenylalanine
+	0EL	6-ammonio-n-[(2r,4r,5r)-5-{[n-(tert-butoxycarbonyl)-l-phenylalanyl-3-(1h-imidazol-3-ium-4-yl)-l-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-l-norleucylphenylalanine
+	0EM	n-(tert-butoxycarbonyl)-l-phenylalanyl-n-{(1s)-1-[(r)-hydroxy(2-{[(2s)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1h-imidazol-3-ium-4-yl)-l-alaninamide
+CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3ccco3	0EN	n-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-n-(4-tert-butylphenyl)furan-2-carboxamide
+CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H]([C@H](CC1CCCCC1)NC(=O)CC[C@@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O	0EO	(2s)-2-[[(3s,4s)-5-cyclohexyl-4-[[(4s,5s)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino] -3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid
+Cc1cc(c(c(c1O)C(=O)OC)C(=O)c2c(cccc2O)O)O	0ER	methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate
+CCCCCCCCC[C@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	0ET	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-[(2r)-2-oxidanylundecyl]sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate
+CCNC(=O)Nc1c(c2ccccc2s1)C(=O)N3CCC(CC3)[N@]4CCC[C@@]5(C4)CC(OC5=O)(C)C	0EU	1-[3-({4-[(5s)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea
+c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O	0EV	4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CCS(=O)(=O)[C@@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OC(O4)(F)F)C	0EW	n-{3-[(2s,5r)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2h-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
+c1ccc(cc1)CCNc2[nH]c3cc4c(c(c3n2)CCNCc5ccccc5)N=C(NC4=O)N	0EX	6-amino-4-[2-(benzylamino)ethyl]-2-[(2-phenylethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=CC(=O)NC3=O	0EY	1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	0EZ	tert-butyl [(1s,2s)-1-benzyl-2-hydroxy-3-{[(8s,11r)-8-[(1r)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]carbamate
+CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3nccc(n3)c4cccnc4	0F0	3-{[4-(dimethylamino)butanoyl]amino}-n-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
+c1cc2c(cc1Cl)sc(c2Cl)C(=O)O	0F1	3,6-dichloro-1-benzothiophene-2-carboxylic acid
+CCC(CC)(c1cc2c(cc([nH]2)c3c4c(ccs4)[nH]n3)c(c1)OCCN5CCOCC5)O	0F2	3-[4-(2-morpholin-4-ylethoxy)-2-(1~{h}-thieno[3,2-c]pyrazol-3-yl)-1~{h}-indol-6-yl]pentan-3-ol
+c1cc(ccc1NS(=O)(=O)N)S(=O)(=O)N	0F3	4-(sulfamoylamino)benzenesulfonamide
+c1cc(cc(c1)NC(=O)Nc2cccc(c2)Nc3ccc\4c(c3)NC(=O)/C4=C\c5ccc[nH]5)C(F)(F)F	0F4	1-(3-{[(3z)-2-oxo-3-(1h-pyrrol-2-ylmethylidene)-2,3-dihydro-1h-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea
+c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)/C=C\4/C(=O)NC(=O)S4	0F5	(5~{z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
+	0F7	n-[(benzyloxy)carbonyl]-l-isoleucyl-n-[(1r)-1-(carboxycarbonyl)-3,3-difluoropropyl]-l-leucinamide
+c1cc(c(cc1Cl)c2cc[nH]n2)O	0F9	4-chloro-2-(1h-pyrazol-3-yl)phenol
+CC(C)C[C@@H](C(=O)N)NP(=O)(O)O	0FA	n~2~-phosphono-l-leucinamide
+CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc2ccc(cc2)F)N	0FG	d-leucyl-n-(4-fluorobenzyl)-l-phenylalaninamide
+c1ccc(cc1)NC=S	0FI	n-phenylthioformamide
+c1cc2ccc(nc2c(c1)O)C(=O)N	0FK	8-hydroxyquinoline-2-carboxamide
+C([C@@H](C(=O)O)NC=O)N	0FL	3-amino-n-formyl-l-alanine
+c1ccc2c(c1)C(=O)C(C2=O)C#N	0FN	1,3-dioxo-2,3-dihydro-1h-indene-2-carbonitrile
+c1cc2c(cc1Br)C(=CC(=O)O2)O	0FO	6-bromo-4-hydroxy-2h-chromen-2-one
+CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CCCCCN)O	0FP	n-(6-aminohexanoyl)-3-methyl-l-valyl-3-methyl-l-valyl-n~1~-[(2s,3s)-3-hydroxy-4-oxo-4-{[(1r)-1-phenylpropyl]amino}butan-2-yl]-n~4~,n~4~-dimethyl-l-aspartamide
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O	0FQ	phenacyl coenzyme a
+c1ccc2c(c1)c(c[nH]2)C(=O)c3ccco3	0FR	furan-2-yl(1h-indol-3-yl)methanone
+c1cc(cc(c1)C(F)(F)F)/C=C\2/C(=O)NC(=O)S2	0FS	(5z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione
+CC1=CN(C(=O)NC1=O)Cc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O	0FT	1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
+c1(c(nc(nc1O)N)N)N	0FU	2,5,6-triaminopyrimidin-4-ol
+CC(=CCC/C(=C(/COP(=O)(O)OP(=O)(O)O)\F)/C)C	0FV	(2z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
+c1ccc(cc1)c2ccc(cc2)C(=O)Nc3cccc(c3)Oc4ccc(c(c4)C(=O)O)C(=O)O	0FW	4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N	0FX	dtdp-4-amino-4,6-dideoxyglucose
+Cc1cn2c(c[nH+]c2c(n1)Nc3cc(ns3)C[NH+]4CCC[C@H](C4)C)c5cnn(c5)CC(=O)Nc6cc[nH+]cc6F	0FY	3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1h-pyrazol-4-yl)-6-methyl-8-[(3-{[(1r,3r)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium
+COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N	0FZ	4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
+c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	0G	l-guanosine-5'-monophosphate
+c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=C(C(=O)NC3=O)F	0G0	1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
+CCC(CC)(c1ccc2c(c1)[nH]c(c2c3ccc(cc3)OC)c4c5c(ccs5)[nH]n4)O	0G1	3-[3-(4-methoxyphenyl)-2-(1h-thieno[3,2-c]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol
+CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)c5ccccc5)n[nH]3)O	0G2	3-[2-(5-phenyl-2h-thieno[3,2-c]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol
+CCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3cc(ccn3)c4c(nc(n4C)SC)c5ccc(cc5)F	0G3	n-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=C(C(=NC2=O)N)F	0G4	[[[[(2r,5s)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy -oxidanyl-phosphoryl]amino]phosphonic acid
+c1cc(cc(c1)I)C(=O)NCCC[C@@H](C(=O)O)N	0G5	n~5~-(3-iodobenzoyl)-l-ornithine
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N	0G6	d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-prolinamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N	0G7	d-phenylalanyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-l-prolinamide
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	0G8	[(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate
+C/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O	0GA	3-{[(1z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid
+Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F	0GD	6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine
+[H]/N=C(\\N)/NCCCC(C(CCl)O)NC(=O)CNC(=O)C(CCC(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C	0GE	n-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-l-alpha-glutamyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide
+Cc1cc(ccc1Br)C(=O)O	0GF	4-bromo-3-methylbenzoic acid
+COc1cc(ccc1O)CC(=O)NC[C@H](C(=O)O)N	0GG	3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-d-alanine
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)CN[C@@H]([C@@H](C)O)C(=O)NCC(C)C	0GH	n-[(2s)-1-({(2s,3r)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+C(C[C@@H]([C@@H](CCl)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N)CNC(=[NH2+])N	0GJ	l-alpha-glutamyl-n-{(1s)-4-{[amino(iminio)methyl]amino}-1-[(1s)-2-chloro-1-hydroxyethyl]butyl}glycinamide
+CC(C)C[C@H]1[C@H](CC(=O)N[C@H](C(=O)NCc2cccc(c2)CNC(=O)CC[C@@H](C(=O)N1)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)CC(C)C)O	0GM	n-[(5s,9s,10s,13s)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide
+CCCN1CCC[C@@]12CCN(C2=O)[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O	0GO	(2s)-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5s)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide
+CC[C@H](C)[C@@H](C(=O)NCc1cnc(nc1N)C)NC(=O)C[C@@H]([C@H](CC2CCCCC2)NC(=O)CCNC(=O)[C@H](Cc3ccccc3)NC(=O)N4CCC(CC4)N)O	0GQ	4-amino-n-{(1r,8r,9r,13r)-16-(4-amino-2-methylpyrimidin-5-yl)-1-benzyl-8-(cyclohexylmethyl)-9-hydroxy-13-[(1s)-1-methylpropyl]-2,6,11,14-tetraoxo-3,7,12,15-tetraazahexadec-1-yl}piperidine-1-carboxamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)c3ccco3	0GR	n-(furan-2-ylcarbonyl)-l-leucyl-l-tryptophan
+CC(c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)Br)N)F)(F)F	0GS	(3s,4s,5r)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F	0GT	(3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1h-indol-5-yl]methyl}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc4c(c(c3)F)NCC45CCC(CC5)(F)F	0GU	(3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C	0GV	(3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one
+CCOc1c2ccccc2cc(n1)C3=NNC(=O)N3	0GW	5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+CCCOc1c(c(c(s1)C(=O)N2[C@@H]3CC[C@H]2CC(C3)c4cc(ccc4F)CN)C)Br	0GX	{(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone
+C(=C(\C=C(\C(=O)O)/O)/C(=O)O)\C(=O)O	0GY	(1e,3z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid
+C1=C(C=C(OC1=O)C(=O)O)C(=O)O	0GZ	2-oxo-2h-pyran-4,6-dicarboxylic acid
+CCCCO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O	0H0	carbohydrate component from a pentavalent n-acetylneuraminic acid conjugate
+c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)N=C=S)C=CC=C4)C(=O)NC2=O	0H2	[1,3-dioxo-6-(pyridin-2-yl-kappan)-2,3-dihydro-1h-isoindol-5-yl-kappac~5~][(thioxomethylidene)azanido-kappan](1,4,7-trithionane-kappa~3~s~1~,s~4~,s~7~)ruthenium
+CCCOCCN1c2cc(ncc2C(=NC1=O)NCCOC(C)C)c3ccc(nc3)OC	0H3	7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1h)-one
+Cc1ccc(nc1)NC(=O)[C@H](CC2CCCC2)N3C=CC(=CC3=O)C(F)(F)F	0H4	(2s)-3-cyclopentyl-n-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2h)-yl]propanamide
+Cn1ccc(n1)Nc2c3cc(ccc3ncn2)OC	0H5	6-methoxy-n-(1-methyl-1h-pyrazol-3-yl)quinazolin-4-amine
+c1cc(ncc1C(=O)O)NC(=O)[C@H](CC2CCCC2)n3cc(nc3)C(F)(F)F	0H6	6-({(2s)-3-cyclopentyl-2-[4-(trifluoromethyl)-1h-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid
+c1cc(sc1C(c2ccc(s2)Cl)([C@H]3CN4CCC3CC4)O)Cl	0H7	(3r)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol
+CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)P(=O)(O)O)NC(=O)CCC(=O)O	0H8	n-(3-carboxypropanoyl)-l-valyl-n-[(1r)-5-amino-1-phosphonopentyl]-l-prolinamide
+COc1ccc(cc1)CNCCS(=O)(=O)O	0H9	2-[(4-methoxybenzyl)amino]ethanesulfonic acid
+c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3	0HD	1-(1h-indazol-5-yl)-3-(2-phenylethyl)urea
+c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])Br	0HG	n-[(4s)-4-ammonio-4-carboxybutanoyl]-s-(4-bromobenzyl)-l-cysteinylglycine
+CCCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	0HH	l-gamma-glutamyl-s-nonyl-l-cysteinylglycine
+CCCCCCCCCCCCCCCCCCCCC[C@@H]([C@H](CCCCCCCCCCCCCCCCC[C@@H]1C[C@H]1CCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	0HJ	6-o-[(2s)-2-{(1s)-18-[(1r,2r)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-d-glucopyranosyl alpha-d-glucopyranoside
+C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(c4cccs4)(c5cccs5)O)C	0HK	(1r,2r,4s,5s,7s)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane
+[H]/N=C(\c1cc(cs1)CN2CC[C@H](C2=O)N(Cc3ccsc3)S(=O)(=O)c4ccc5ccc(cc5c4)OC)/N	0HL	4-{[(3r)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide
+c1ccc(cc1)Cn2ccnc2C[n+]3cccc(c3C(=O)Nc4ccc(cc4)CN)O	0HM	2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1h-imidazol-2-yl)methyl]-3-hydroxypyridinium
+c1cc2c(cc1C(=O)O)OCO2	0HN	1,3-benzodioxole-5-carboxylic acid
+c1cc2c(cc1C(=O)O)nsn2	0HO	2,1,3-benzothiadiazole-5-carboxylic acid
+C=[N+]=[N-]	0HQ	diazomethane
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C(C)C)NC[C@@H]([C@H](CC(C)C)N)O	0HT	methyl n-[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-valyl-l-isoleucyl-l-phenylalaninate
+c1ccc2c(c1)c(ccc2[N+](=O)[O-])Nc3cccc(c3)C(=O)O	0HV	3-[(4-nitronaphthalen-1-yl)amino]benzoic acid
+CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H]2[C@@H](O2)C(=O)OCC	0HW	n-[(3s)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-isoleucyl-l-proline
+CCC(CC)O[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C	0HX	pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid
+C[C@H](CC(=O)OC)C1=NNC2=C(C1=O)C(=O)NC(=N2)N	0HY	methyl (3r)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoate
+	0HZ	amino({3-[(3s,8as)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium
+C[C@]12C[C@@H]3C(=O)OC[C@]34[C@](C1=O)(C[C@@H]5[C@@]4(C2)CC[C@@H]6[C@@]5(C=CC(=O)OC6(C)C)C)C	0I3	andilesin c
+CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)C(=O)CF)NC(=O)N2CCOCC2	0I5	n-[(3s)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-n~2~-(morpholin-4-ylcarbonyl)-l-leucinamide
+c1ccc(cc1)n2c(c(cn2)C(=O)O)C(F)(F)F	0IM	1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
+c1cc2ccc(c(c2nc1)O)Cc3cccnc3	0IN	7-(pyridin-3-ylmethyl)quinolin-8-ol
+C[C@H]1C(=O)[C@]2([C@H](C(=O)O1)[C@]3(C(=O)C(=C4[C@]([C@@]3(CC2=C)O)(CCC(=O)C4(C)C)C)O)C)C	0IP	terretonin c
+c1ccc(cc1)CS(=O)(=O)N[C@H]2CCCN(C2=O)CC(=O)N[C@@H](CCCNC(=[NH2+])N)C=O	0IT	amino({(4s)-4-[({(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium
+	0IU	(2s)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n~1~-[(1s,2r,3r)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-n~4~-[2-(d imethylamino)-2-oxoethyl]-n~4~-[(1s)-1-phenylethyl]butanediamide
+[H]/N=C(\N)/N1CCC[C@@H](C1)C[C@@H](C=O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)Cc3ccccc3	0IV	2-{(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-n-{(2s)-1-[(3r)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide
+CN1CCN(CC1)C(=O)NC(Cc2ccccc2)C(=O)NC(CCc3ccccc3)CCS(=O)(=O)c4ccccc4	0IW	nalpha-[(4-methylpiperazin-1-yl)carbonyl]-n-[(3s)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-l-phenylalaninamide
+[B-](CCC[C@@H]1[C@H](CN[C@@H]1C(=O)O)NC(=O)[C@H](C(C)C)N)(O)(O)O	0IZ	3-[(2~{s},3~{r},4~{r})-4-[[(2~{s})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
+CN1c2ccccc2C(=CC1=O)OCc3cn(nn3)C4C[C@H]5CC[C@@H](C4)[N+]5(C)C	0J0	(3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1h-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane
+CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCC	0J1	(2r)-3-{[(r)-hydroxy{[(1s,2r,3s,4s,5r,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoate
+C[C@H](CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N	0J2	(3r)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid
+CN1CCN(CC1)c2cc3c(cc(cc3NCc4cccc(c4)[N+](=O)[O-])C(F)(F)F)nc2	0J3	3-(4-methylpiperazin-1-yl)-n-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine
+C[C@H](C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O	0J4	(2r)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
+C(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O	0J5	(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid
+c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4	0J6	n-[3-(1h-tetrazol-5-yl)phenyl]-2h-indazole-5-carboxamide
+c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4	0J7	3-(pyrimidin-2-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide
+c1cc(cc(c1)[N+](=O)[O-])CNc2c3cc(cnc3nc(n2)C(F)(F)F)c4cnn(c4)C5CCNCC5	0J8	n-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
+CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N	0J9	1-tert-butyl-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc(c(c(c1)C2(CC2)C#N)Cl)C(=O)Nc3cc(ccc3F)Oc4ccc5c(n4)sc(n5)NC(=O)C6CC6	0JA	2-chloro-3-(1-cyanocyclopropyl)-n-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide
+c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4	0JB	n-[3-(1h-tetrazol-5-yl)phenyl]-1h-benzimidazole-7-carboxamide
+C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3	0JC	di-mu-iodobis(ethylenediamine)diplatinum(ii)
+c1ccc2c(c1)OC[C@H](O2)C(=O)O	0JD	(2s)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
+CCN(CC)C(=O)Nc1cn[nH]c1c2[nH]c3cc(c(cc3n2)OCC)F	0JE	3-[5-(5-ethoxy-6-fluoro-1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]-1,1-diethylurea
+Cc1ccc(cc1)CNC(=O)[C@H]2CCCN(C2)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC	0JF	(3s)-n-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide
+Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)/C=C/CO)C[C@@H](C#N)C(=O)OC	0JG	methyl (2s)-3-{4-amino-7-[(1e)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate
+Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)CCCO)C[C@@H](C#N)C(=O)OC(C)(C)C	0JH	tert-butyl (2s)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate
+Cc1c(nnn1c2ccccc2)C(=O)O	0JI	5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid
+Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC	0JJ	7-methoxy-n-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine
+c1ccc(cc1)N2CCc3c(n(nn3)Cc4ccc5c(c4)cccn5)C2=O	0JK	5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4h-[1,2,3]triazolo[4,5-c]pyridin-4-one
+Cc1cc(sn1)N2C=Cc3c(n(nn3)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)C2=O	0JL	3-{(1s)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4h-[1,2,3]triazolo[4,5-c]pyridin-4-one
+CC1([C@@H](N2[C@@H]([C@H]([C@H]2S1)NC(=O)[C@@H](c3ccccc3)C(=O)O)O)C(=O)O)C	0JM	(2s,5r,6r,7r)-6-{[(2r)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo xylic acid
+CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N	0JN	1-tert-butyl-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O	0JO	2-{[(e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid
+COc1cc2c(cc1OC)-c3c(ncn3CC2)c4cncs4	0JP	8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline
+Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC	0JQ	2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCc1cccnc1)O	0JR	(2r)-2,4-dihydroxy-3,3-dimethyl-n-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide
+CC(C)[C@@H](CCC(=O)O)N	0JT	(4r)-4-amino-5-methylhexanoic acid
+[H]/N=C\[C@H](CCC(=O)N)N	0JU	(4s,5z)-4-amino-5-iminopentanamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@H]3NC(=O)OC)O)S(=O)(=O)c4ccc(cc4)OC	0JV	methyl n-[(3s,3ar,5r,6ar)-5-[[(2s,3r)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyloxy]-3,3a,4,5,6,6a-hexahydro-2h-cyclopenta[b]furan-3-yl]carbamate
+c1cc(c(cc1/C=C(\C#N)/[C@H](N)O)O)O	0JW	(2e)-2-[(r)-amino(hydroxy)methyl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
+C(COP(=O)(O)OP(=O)(O)O)/C=C/O	0JX	(3e)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate
+CC(C)(C)C[C@@H](C(=O)O)N	0JY	4-methyl-l-leucine
+CC(C)[C@@H]1c2nc(c[se]2)C(=O)N[C@@H](c3nc(c[se]3)C(=O)N[C@@H](c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C	0JZ	(4r,11r,18r)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
+CS(=O)(=O)Nc1cccc(c1)c2cnc(c(n2)C(=O)NCC3CCNCC3)N	0K0	3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-n-(piperidin-4-ylmethyl)pyrazine-2-carboxamide
+Cn1cc(cn1)c2cccc(c2)c3cnc(c(n3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O)N	0K1	3-amino-6-[3-(1-methyl-1h-pyrazol-4-yl)phenyl]-n-[(1r,2r,3s,5s,7s)-5-hydroxyadamantan-2-yl]pyrazine-2-carboxamide
+C(CC=O)COP(=O)(O)OP(=O)(O)O	0K2	4-oxobutyl trihydrogen diphosphate
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C	0K3	(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N(C2=O)O)Oc4ccccc4)O	0K5	(5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cn1cc(cc1C(=O)N2CCN(CC2)C)Nc3ncc4cc(n(c4n3)C5CCCC5)C(=O)N	0K6	7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-3-yl}amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide
+Cc1ccc(cc1)c2nc(cs2)C(=O)O	0K7	2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
+c1ccc2c(c1)C(=O)c3ccc4c(c3C2=O)nc5c6c7c8c(c5n4)C=CC=[N]8[Ru+2]91([N]7=CC=C6)([N]2=CC=Cc3c2c2c(cc3)C=CC=[N]92)[N]2=CC=Cc3c2c2c(cc3)C=CC=[N]12	0K8	ruthenium bis-(phenanthroline) 12,17-dihydro-naphthodipyridophenazine-12,17-dione
+C[C@H](C(=O)N[C@@H](Cc1cccc(c1)c2nccs2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC	0K9	(2r)-n-{(2s,3r)-4-{[(4's)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide
+[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ag]45	0KA	silver/iron/sulfur cluster
+c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(F)(F)F)P(=O)(O)O	0KB	[2-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid
+c1ccc(c(c1)OCC(=O)NC2CCCC2)P(=O)(O)O	0KC	{2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid
+c1cc(cnc1)NC(=O)c2ccnc3c2nc([nH]3)c4ccsc4	0KD	n-(pyridin-3-yl)-2-(thiophen-3-yl)-3h-imidazo[4,5-b]pyridine-7-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccc(cc3N(C2=O)O)OC)O	0KE	(5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	0KF	n-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1h-pyrazole-5-carboxamide
+c1ccc(c(c1)OCC(=O)NC2CCCCC2)P(=O)(O)O	0KG	{2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid
+c1ccc(c(c1)OCC(=O)Nc2cccc(c2Cl)Cl)P(=O)(O)O	0KH	(2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@@H]2CCC(=O)N2)O)S(=O)(=O)c3ccc4c(c3)scn4	0KJ	[(2s)-5-oxopyrrolidin-2-yl]methyl [(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+[H]/N=C/1\NC(C(=O)N1C)(c2ccccc2)c3ccccc3	0KK	(2e)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0KL	5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)
+[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccc(c4)OC	0KM	(2e,5r)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one
+C[C@H](C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC	0KN	(2r)-n-[(2s,3r)-1-(1,3-benzodioxol-5-yl)-4-{[(4's)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide
+Cc1nc(nc(n1)N)c2cc(cnc2Nc3ccc(nc3)OC)CN4CCN(CC4)S(=O)(=O)C	0KO	4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
+[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccnc4	0KP	(2e,5r)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one
+[H]/N=C/1\N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)Cl)C4CC4	0KQ	(2e,5r)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one
+[H]/N=C/1\N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)C#CC)C4CC4	0KR	(2e,5r)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one
+CN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c2ccccc2	0KS	n-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-n-methylbenzenesulfonamide
+CN(c1ccc(cc1)[C@](c2cccn2CCOC)(C(F)(F)F)O)S(=O)(=O)c3ccccc3	0KT	n-methyl-n-(4-{(1s)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1h-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide
+Cc1c(sc(n1)[C@H]([C@@H]2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CO	0KU	n-(4-chlorophenyl)-n'-{(s)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2s)-piperidin-2-yl]methyl}ethanediamide
+[H]/N=C(\N)/N1CCC[C@H](C1)C[C@@H](C=O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)Cc3ccccc3	0KV	2-{(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-n-{(2s)-1-[(3s)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide
+Cc1c(sc(n1)[C@H]([C@@H]2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CCO	0KW	n-(4-chlorophenyl)-n'-{(s)-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl][(2s)-piperidin-2-yl]methyl}ethanediamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O	0KX	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine
+CCO[C@H](C)CN1c2c(nc[nH]2)C(=O)NC1=S	0KY	3-[(2r)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6h-purin-6-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](C3([C@@H]2C3)COP(=O)(O)O)O	0KZ	[(1r,2s,4s,5s)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(c(cc3N(C2=O)O)OC)Cc4ccccc4)O	0L0	(4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+C(CCC(=O)O)CC(=O)O	0L1	hexanedioic acid
+c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCNC(=O)CCCCCCCCCO	0L3	7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCN	0L4	5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0L5	2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate)
+C1[C@@H]([C@H](O[C@H]1N2CC(=C(NC2=O)N)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0L6	5-(5-aminopent-1-yn-1-yl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)
+c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N)C#CCCCN	0L7	2-amino-5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+c1cc(ccc1c2c(cc(cc2Br)CO)c3ccoc3)O	0L8	2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol
+Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC	0L9	(2s)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid
+C[C@@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O	0LA	(2s)-2-(6-chloro-9h-carbazol-2-yl)propanoic acid
+c1cc(ccc1N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N)F	0LB	(1r,2r)-n-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide
+c1cc2c(cc1F)c3c([nH]2)CCN(C3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N	0LC	(1r,2r)-n-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cn(nc3N(C2=O)O)c4ccccc4)O	0LD	(5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2h-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+c1ccc(cc1)CCCCO[C@@H]2C[C@H](NC2)C(=O)O	0LF	(4r)-4-(4-phenylbutoxy)-l-proline
+CC(C)c1cccc(c1)CNC[C@H]([C@@H]2COC/C=C/C[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N2)c4ccccc4)O	0LG	n-[(4s,8e,11s)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-n-methylmethanesulfonamide
+c1ccc2c(c1)ccn2CCN	0LH	2-(1h-indol-1-yl)ethanamine
+Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	0LI	3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide
+[H]/N=C(/N)\N[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl	0LJ	n-[(1r,2r)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide
+[H]/N=C(\N)/N[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl	0LK	n-[(1s,2s)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide
+c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)N	0LL	n-[(1s,2s)-2-amino-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide
+CC1(CC(CC(N1C)(C)C)NC(=O)C(=O)Nc2ccc(c(c2)F)Cl)C	0LM	n-(4-chloro-3-fluorophenyl)-n'-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanediamide
+CN1CCCCN(S(=O)(=O)NC(=O)c2ccc3c(c2)n4c(c3C5CCCCC5)-c6ccc(cc6C=C(C4)C1=O)OC)C	0LN	13-cyclohexyl-3-methoxy-17,22-dimethyl-7h-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide
+c1ccc(cc1)c2cc(cnc2)C(=O)O	0LO	5-phenylpyridine-3-carboxylic acid
+CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@H]([C@@H](CO)O)O)C(=O)O)C/C=C/c2ccccc2)O	0LP	5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2e)-3-phenylprop-2-en-1-yl]-d-glycero-l-altro-non-2-enonic acid
+c1ccc(cc1)C(c2ccccc2)N3[C@H]4CNC[C@@H]4N(C(=O)C3=O)C(c5ccccc5)c6ccccc6	0LQ	(4as,7as)-1,4-bis(diphenylmethyl)hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione
+c1ccc(cc1)[C@H]2CCNC[C@@H]2OCc3ccc4ccccc4c3	0LR	(3r,4r)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine
+c1ccc(cc1)C[C@@H]2CNC[C@H]2CN(c3ccccc3)c4ccc(cc4)Cl	0LS	n-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-n-phenylaniline
+CC(C)N(C[C@@H]1CNC[C@H]1Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC	0LT	n-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-n-(propan-2-yl)benzamide
+c1ccc2c(c1)C(c3ccccc3S2)C[C@@H](CN4CCCC4)O	0LU	(2s)-1-(pyrrolidin-1-yl)-3-(9h-thioxanthen-9-yl)propan-2-ol
+CC1(Cc2cccc(c2O1)CO)C	0LV	(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol
+c1ccc2c(c1)C(c3ccccc3S2)C[C@H](CN4CCCC4)O	0LW	(2r)-1-(pyrrolidin-1-yl)-3-(9h-thioxanthen-9-yl)propan-2-ol
+CO[C@H](C[C@H](CCCCNCc1ccc(cc1)F)C(=O)NO)c2ccc(cc2)F	0LX	(2s)-6-[(4-fluorobenzyl)amino]-2-[(2r)-2-(4-fluorophenyl)-2-methoxyethyl]-n-hydroxyhexanamide
+CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C	0LY	n-(4-bromophenyl)-n'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
+c1ccc2c(c1)CCN[C@@H]2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl	0LZ	n-(4-chloro-3-fluorophenyl)-n'-[(1s)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide
+CC1(O[C@H]([C@@H](O1)CNC(=O)C(=O)Nc2ccc(c(c2)F)Cl)CN)C	0M1	n-{[(4s,5s)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-n'-(4-chloro-3-fluorophenyl)ethanediamide
+C[C@H](CN1CC2=C(C1)c3ccccc3Nc4c2cccc4)O	0M2	(2r)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1h)-yl)propan-2-ol
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC(c3ccccc3)c4ccccc4	0M3	(3s,5r)-n-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide
+c1cc(c(cc1NC(=O)C(=O)NC[C@@]23CCC[C@@H]2CNC3)F)Cl	0M4	n-(4-chloro-3-fluorophenyl)-n'-[(3as,6as)-hexahydrocyclopenta[c]pyrrol-3a(1h)-ylmethyl]ethanediamide
+c1cc(c(cc1NC(=O)C(=O)NC[C@H]2CCN(C2)C3CC3)F)Cl	0M5	n-(4-chloro-3-fluorophenyl)-n'-{[(3r)-1-cyclopropylpyrrolidin-3-yl]methyl}ethanediamide
+CC(C)C[C@@H](C(=O)N[C@@H](CCO)CO)NC(=S)Nc1ccccc1	0M6	n-[(2s)-1,4-dihydroxybutan-2-yl]-n~2~-(phenylcarbamothioyl)-l-leucinamide
+CCCCCNCC(P(=O)(O)O)P(=O)(O)O	0M7	[2-(pentylamino)ethane-1,1-diyl]bis(phosphonic acid)
+CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O	0M8	[2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid)
+CCCNCC(P(=O)(O)O)P(=O)(O)O	0M9	[2-(propylamino)ethane-1,1-diyl]bis(phosphonic acid)
+CC1(C[C@H]2C3=CC[C@H]4[C@]([C@@]3(CC[C@]2(C=C1)C(=O)O)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)C	0MA	maslinic acid
+c1ccc(cc1)c2nc(sn2)N3CCCNCC3	0MB	1-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
+CC[C@@H]1CCCC[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O	0MC	{3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-{[(1s,2r)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
+CC[C@H]1CCCC[C@@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O	0MD	{3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-{[(1r,2s)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
+c1ccc2c(c1)C(c3ccccc3O2)CNC(=O)[C@H]4CCCNC4	0ME	(3s)-n-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide
+Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccco5	0MF	n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide
+C(C[C@@H](C(=O)C(=O)O)N)CNC(=[NH2+])N	0MG	amino{[(4s)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
+Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5cccs5	0MH	n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N]=N)O	0MI	1-[(2~{r},4~{s},5~{r})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3c4ccccc4Oc5c3cccc5	0MJ	(3s,5r)-5-{[(4-methylphenyl)sulfonyl]amino}-n-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide
+C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O	0MK	beta-l-ribopyranose
+C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)N	0ML	(2s,3s)-3-amino-2-hydroxy-n-(4-iodobenzyl)butanamide
+Cc1c(c(no1)c2cccnc2Cl)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]	0MM	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone
+COc1cccc(c1)OCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3	0MN	n-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide
+CCCCOc1cc(ccc1OC)C[C@@H]2CNC(=O)N2	0MO	(4r)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one
+CC(=O)N[C@@H](Cc1ccc(cc1)F)[C@@H](CN[C@H]2CC3(CCC3)Oc4c2cc(cn4)CC(C)(C)C)O	0MP	n-((2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide
+C1CCC(CC1)NCC(P(=O)(O)O)P(=O)(O)O	0MQ	[2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid
+Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccccn5	0MR	n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide
+Cc1cc(cnc1N2CCN(CC2)C(=O)c3c(onc3c4ccccc4Cl)C)Br	0MS	[4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
+c1ccc(cc1)c2c3c([nH]n2)C(=O)N([C@@H]3c4ccc(cc4)[N+](=O)[O-])c5ccc(cc5)C(=O)O	0MT	4-[(4r)-4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid
+CC(=O)OCC1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)CCC[C@H](C(=O)O)N	0MU	(2r)-5-(acetyloxymethyl)-2-[(1r)-1-[[(5r)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)Nc4ccccc4C(=O)N3	0MV	(3s)-3-(1h-indol-3-ylmethyl)-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione
+CCCCCCNCC(P(=O)(O)O)P(=O)(O)O	0MW	[2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid)
+c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)NC(=O)c5ccco5	0MX	n-[5-(4-{[(3-chlorophenyl)sulfonyl]amino}phenyl)-1h-indazol-3-yl]furan-2-carboxamide
+c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)N	0MY	n-[4-(3-amino-1h-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide
+c1ccc(c(c1)/C=N/N=C\2/N=C([C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O)O	0MZ	2-{(2z,5s)-4-hydroxy-2-[(2e)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-n-[3-(trifluoromethyl)phenyl]acetamide
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3(c4ccccc4Oc5c3cccc5)CCCCOC	0N0	(3s,5r)-n-{[9-(4-methoxybutyl)-9h-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide
+Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/C[C@@H](NC2=O)c3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O	0N1	(4s,8e,11r)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione
+C[C@@H]1[C@@H]([C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N)O	0N2	(2r,4s,5r,6r)-4-amino-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)O	0N3	3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
+B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)O	0N4	[({[4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
+COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4	0N5	n-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide
+c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3ccc4c(c3)CCNC4	0N6	(r)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
+c1ccc2c(c1)CC(=O)N(C2=O)O	0N7	2-hydroxyisoquinoline-1,3(2h,4h)-dione
+c1ccc(cc1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O	0N8	(2z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid
+Cn1cc(nc1)C2=NC(=C(C(=O)N2)O)C(=O)O	0N9	5-hydroxy-2-(1-methyl-1h-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)O	0NA	[({[6-(1h-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid
+B(CNS(=O)(=O)c1ccc(c(c1)Cl)c2[nH]nnn2)(O)O	0NB	[({[3-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
+C[C@@H](C(=O)NC)N	0NC	n-methyl-l-alaninamide
+B(CNS(=O)(=O)c1ccc(cc1Cl)c2[nH]nnn2)(O)O	0ND	[({[2-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
+B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)O	0NE	[({[4-(1h-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid
+CC(C)(c1cc(cc(c1)NC(=O)[C@H]2CCc3ccc(cc3C2)Oc4ccnc5c4CCC(=O)N5)C(F)(F)F)N	0NF	(2s)-n-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
+B(CNS(=O)(=O)CCl)(O)O	0NG	({[(chloromethyl)sulfonyl]amino}methyl)boronic acid
+CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3	0NH	1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
+CC1=C(C(=O)c2ccccc2N1)CC=C(C)CC/C=C(\C)/CCC=C(C)C	0NI	aurachin d
+COc1ccc2c(c1)sc(n2)c3ccccc3F	0NJ	2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole
+CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC	0NK	6,7,8-trimethoxy-n-(pentan-3-yl)quinazolin-4-amine
+CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n2cnc3c2c4cc[nH]c4nc3	0NL	tert-butyl [(1r,3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)cyclopentyl]carbamate
+C(#N)O	0NM	cyanic acid
+c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC4(CC3)c5ccccc5CO4	0NN	1-benzyl-n-[3-(1'h,3h-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-d-prolinamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=N)F	0NP	2',3'-dideoxy-2'-fluoro-3'-triaza-1,2-dien-2-ium-1-yluridine
+CCO[P@@]1(=O)c2cc(ccc2NC(=N1)C3=C([C@@H](N(C3=O)CCC(C)(C)C)C(C)(C)C)O)NS(=O)(=O)C	0NQ	n-{(1s)-3-[(5s)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide
+COC(=O)C1=C(C(=O)c2cccnc2N1c3ccccc3)Cc4ccc(cc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)N	0NR	methyl 3-(4-{[(1r,2s,3s,5s,7s)-5-aminotricyclo[3.3.1.1~3,7~]dec-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate
+CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC	0NS	2-methoxy-n-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide
+CC(C)N1CCC[C@H]1C(=O)N2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4	0NT	[4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl][(2s)-1-(propan-2-yl)pyrrolidin-2-yl]methanone
+c1c[nH]c2c1c3c(cn2)ncn3[C@@H]4CCCN(C4)C(=O)CC#N	0NU	3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrile
+c1ccc(cc1)CN2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4	0NV	1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3cccc(c3)c4ccc(cc4Cl)Cl)/N	0NW	3-[(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide
+c1ccc(cc1)c2cc(no2)CO	0NX	(5-phenyl-1,2-oxazol-3-yl)methanol
+Cc1cc([nH]n1)C[C@H](C)Nc2c3ccc(c(c3ncn2)OC)OC	0NY	7,8-dimethoxy-n-[(2s)-1-(3-methyl-1h-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine
+C1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O	0NZ	2-deoxy-6-o-phosphono-beta-d-glucopyranose
+c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCC5)N=C(NC4=O)N	0O1	6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	0O2	guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)
+C=C(CCOP(=O)(O)OP(=O)(O)O)CO	0O3	3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate
+c1ccc2c(c1)ccnc2c3ccc(cc3)C(=O)NCCN4CCOCC4	0O4	4-(isoquinolin-1-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide
+Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4	0O5	4-(3-methylisoquinolin-1-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](c3ccccc3)c4cn(nn4)CCCCc5ccc(cc5)CCCCn6cc(nn6)[C@H](c7ccccc7)NC(=O)[C@@H]8CC[C@H]9N8C(=O)[C@H]([C@H](CC9)CO)NC(=O)[C@H](CC)NC)CO)NC	0O6	(3s,6s,7s,9as,3's,6's,7's,9a's)-n,n'-(benzene-1,4-diylbis{butane-4,1-diyl-1h-1,2,3-triazole-1,4-diyl[(s)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2s)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide]
+CCc1ccc(cc1)c2ccc3c(c2)-c4c(c[nH]n4)S(=O)(=O)N3C	0O7	8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide
+CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1CC[N+](CC1)(C)C	0O8	(1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate
+CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O[C@H]1[C@H](C[C@@H]([C@H]([C@H]1O)O)O)OCC(C)C)OC	0O9	(2s)-2-methoxy-3-(octadecyloxy)propyl (1r,2r,3r,4s,6s)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (s)-phosphate
+CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)OCC2CCCCC2)OC	0OA	(1r,2s,3r,4s,6s)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2r)-2-methoxy-3-(octadecyloxy)propyl hydrogen (s)-phosphate
+c1ccc2c(c1)cc(s2)CCC(=O)O	0OB	3-(1-benzothiophen-2-yl)propanoic acid
+CN(C)S(=O)(=O)c1ccsc1	0OC	n,n-dimethylthiophene-3-sulfonamide
+CC12=C3([Rh+]145(C2(=C4(C53C)CCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)C)(Cl)(Cl)Cl)C	0OD	trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)
+c1cc(cc(c1)Cl)c2c(cn[nH]2)c3nc4cc(ccc4n3CCCn5ccnc5)c6ccc(cc6)C(=O)O	0OE	4-{2-[5-(3-chlorophenyl)-1h-pyrazol-4-yl]-1-[3-(1h-imidazol-1-yl)propyl]-1h-benzimidazol-5-yl}benzoic acid
+CCN1c2ccc(cc2N(C(=O)[C@H](C1=O)c3cc(cc(c3)O)c4cccnc4)c5ccccc5)C(F)(F)F	0OF	(3s)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1h-1,5-benzodiazepine-2,4(3h,5h)-dione
+CCc1cc(n(n1)c2ccc3c(c2)nc(n3CC4=CNC(=O)C=C4)c5cc(ccc5O)C(=O)O)c6ccc(o6)C	0OG	3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1h-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1h-benzimidazol-2-yl}-4-hydroxybenzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N	0OH	north-methanocarba-2'-deoxyadenosine triphosphate
+CNC(=O)Nc1ccccc1F	0OI	n-(2-fluorophenyl)-n'-methylurea
+c1nc(c2c(n1)n(cn2)[C@]34C[C@H]3[C@@H]([C@H](C4)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N	0OJ	south-methanocarba-2'-deoxyadenosine triphosphate
+c1ccc(cc1)N2C=Nc3ccccc3C2=O	0OK	3-phenylquinazolin-4(3h)-one
+c1ccc(cc1)C(=O)N2CCCCC2	0OL	phenyl(piperidin-1-yl)methanone
+c1ccc(cc1)COC(=O)c2cccnc2	0OM	benzyl pyridine-3-carboxylate
+c1ccc(cc1)NC(=O)c2cccnc2	0ON	n-phenylpyridine-3-carboxamide
+c1ccc(cc1)Oc2cccc(c2)CO	0OO	(3-phenoxyphenyl)methanol
+c1ccc(cc1)COc2cccc(c2)CO	0OP	[3-(benzyloxy)phenyl]methanol
+c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)C(F)(F)F	0OQ	(1r,5s)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
+CC(C)(COP(=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N)O	0OR	n~3~-[(2r)-2-hydroxy-4-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alaninamide
+COc1ccc(cc1OC)CC[C@@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3S(=O)(=O)c4cc(cc(c4)Cl)Cl	0OS	{3-[(1s)-1-[({(2s)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
+CCOc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2	0OT	2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1h)-one
+c1ccc2c(c1)C(=O)C=C(N2)NCCCNCc3cc(cc(c3)Cl)Cl	0OU	2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1h)-one
+C[C@@H]1CCCC[C@@H]1Oc2nc(c3c(n2)N(C=CC3=O)CC#N)N	0OV	[4-amino-2-{[(1s,2r)-2-methylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5h)-yl]acetonitrile
+C1CCC(C1)Oc2nc(c(c(n2)O[C@@H]3CCC[C@@H]3O)C(=O)N)N	0OW	4-amino-2-(cyclopentyloxy)-6-{[(1r,2s)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide
+c1c(c(nc(n1)OC2CCCC2)N)C(=O)N	0OX	4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide
+c1cc(ccc1C(=O)N2CCOCC2)O	0OY	(4-hydroxyphenyl)(morpholin-4-yl)methanone
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+]	0P0	n-[(4r)-4-ammonio-4-carboxybutanoyl]-l-cysteinylglycine
+C[C@@H](C(=O)N[C@@H](CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C)NC(=O)OCc2ccccc2	0P1	n-[(benzyloxy)carbonyl]-l-alanyl-n-{(1s)-1-[(r)-[(1r)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl }-l-alaninamide
+B([C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)(O)O	0P2	n~2~-[(benzyloxy)carbonyl]-n-[(1r,2s)-1-(dihydroxyboranyl)-2-methylbutyl]-l-alaninamide
+c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl	0P4	n-(1h-benzimidazol-2-yl)-n'-(3,5-dichlorobenzyl)propane-1,3-diamine
+COc1ccc(c(c1)Cl)Oc2cc(nc(n2)N3CCNC(=O)C3)NCc4[nH]c5ccccc5n4	0P5	4-{4-[(1h-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one
+c1cc2ccc(nc2c(c1)O)N	0P6	2-aminoquinolin-8-ol
+COc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2	0P8	2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1h)-one
+C1CCC(C1)CC(=O)O	0PA	cyclopentylacetic acid
+C[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2	0PC	nalpha-[(benzyloxy)carbonyl]-n-[(1s)-3-chloro-1-methyl-2-oxopropyl]-l-phenylalaninamide
+CCc1ccc(cc1)c2ccc3c(c2)-c4c(cnn4CC)S(=O)(=O)N3C	0PF	1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide
+	0PI	n-[(2r,4s)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-l-leucine
+	0PJ	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-leucine
+	0PK	n-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-l-leucyl-l-alanine
+Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)c4ccccc4)Cl	0PL	(3s)-3-{4-chloro-3-[(n-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1h-1,2,3-benzotriazol-5-yl)propanoic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)NC(C)(C)C)SCc3cccnc3)O)NC(=O)c4ccc5ccccc5n4	0PO	n-[(1r)-1-{[(1s,2s)-1-benzyl-3-{(2r,4s)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamide
+CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc3ccccc3n2)O)C(C)(C)C	0PP	(2s)-2-tert-butyl-n~4~-(1-ethylpropyl)-n~1~-[(2r,3s)-2-hydroxy-4-phenyl-3-{[n-(quinolin-2-ylcarbonyl)-l-threonyl]amino}butyl]butanediamide
+c1ccc(cc1)C[C@H](C[P@@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O	0PQ	n-{(2r)-3-[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-l-phenylalanine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](Cc2ccc(cc2)O)C(=O)O)O	0PR	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-tyrosine
+CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC(=O)N)NC(=O)c2ccc3ccccc3n2)O)C(=O)NCC(C)(C)C	0PX	n~1~-{(1s,2s,4s)-1-(cyclohexylmethyl)-4-[(2,2-dimethylpropyl)carbamoyl]-2-hydroxy-5-methylhexyl}-n~2~-(quinolin-2-ylcar bonyl)-l-aspartamide
+c1ccncc1	0PY	pyridine
+CCCC[C@@H]1CO1	0PZ	(2r)-2-butyloxirane
+Cc1c(c(on1)C)c2ccc3c(c2)[C@@](CC3)(c4ccccc4)O	0Q1	(1r)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1h-inden-1-ol
+Cc1nc2cnc3c(c2n1[C@@H]4CCC[C@H](C4)O)CC=N3	0Q2	(1r,3r)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8h)-yl)cyclohexanol
+CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N	0Q4	n-[(2r)-2-({n~5~-[amino(iminio)methyl]-l-ornithyl-l-valyl}amino)-4-methylpentyl]-l-phenylalanyl-l-alpha-glutamyl-l-alanyl-l-norleucinamide
+CCCCc1c(c(nn1c2ccccc2)CO)c3ccc(cc3C(=O)N4CCc5ccccc5C4)C(=O)NS(=O)(=O)CC[Si](C)(C)C	0Q5	4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)-n-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide
+c1cc(cc(c1)Br)COc2ccc(cc2)C(=O)N	0Q6	4-[(3-bromophenyl)methoxy]benzamide
+CN(CCCC(=O)c1cccnc1)N=O	0QA	4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
+	0QB	(2s)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n~1~-{(1s,2s)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3r)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-n~4~-[2-(dimethylamino)-2-oxoethyl]-n~4~-[(1s)-1-phenylethyl]butanediamide
+CCl	0QE	chloromethane
+CCS[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N3CCOCC3	0QF	n-[(1s)-2-{[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-nalpha-(morp holin-4-ylsulfonyl)-l-phenylalaninamide
+	0QG	3-methyl-l-valyl-l-prolyl-l-isoleucine
+	0QH	(1r)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2s)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium
+CC(C)C[C@H](CS)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)O	0QI	o-methyl-n-[(2s)-4-methyl-2-(sulfanylmethyl)pentanoyl]-l-tyrosine
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCN(C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	0QJ	5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine
+CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O	0QK	7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+C(CSSC[C@@H](C(=O)O)N)N	0QL	3-[(2-aminoethyl)disulfanyl]-l-alanine
+	0QN	n-(trifluoroacetyl)-l-valyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
+C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OCCO4)F	0QQ	n-[3-[(4r,5r,6r)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
+c1cc(nc(c1)NS(=O)(=O)c2ccc(cc2)F)N	0QR	n-(6-aminopyridin-2-yl)-4-fluorobenzenesulfonamide
+CC(C)(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC3CCCCC3)C(C(C(=O)NCCN4CCOCC4)(F)F)(O)O	0QS	n~2~-[(2r)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-n-{(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1h-imidazol-3-ium-4-yl)-l-alaninamide
+c1ccc2c(c1)c(c[nH]2)C(=S)N3CCC(CC3)O	0QV	(4-hydroxypiperidin-1-yl)(1h-indol-3-yl)methanethione
+c1ccc(c(c1)C(=S)N2CCCC2)O	0QW	(2-hydroxyphenyl)(pyrrolidin-1-yl)methanethione
+c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccncc4n3	0QX	2-(1h-indol-3-ylmethyl)-1h-imidazo[4,5-c]pyridine
+c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccc(cc4n3)NC(=O)[C@@H]5CCCN5	0QY	n-[2-(1h-indol-3-ylmethyl)-1h-benzimidazol-5-yl]-l-prolinamide
+C([C@H](C(=O)O)O)N	0QZ	d-isoserine
+c1ccc(c(c1)C#N)O	0R0	2-hydroxybenzonitrile
+c1ccc2c(c1)cno2	0R1	1,2-benzisoxazole
+CC[C@@H](C(=O)OC(C)(C)C)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	0R2	[(3r,5r,6s)-1-[(2s)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
+CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	0R3	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2s,3s)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
+CC(=O)Nc1cccc(c1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)CNC(=O)c6cccc(c6)F	0R4	n-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3h-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0R5	2'-deoxy-5-[(4-ethynylphenyl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0R6	2'-deoxy-5-[(4-ethynylphenyl)ethynyl]cytidine 5'-(tetrahydrogen triphosphate)
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3CC[C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O	0R7	[[(2s,5r)-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3CC[C@H](O3)COP(=O)(O)O	0R8	[(2s,5r)-5-{4-amino-5-[(4-ethynylphenyl)ethynyl]-2-oxopyrimidin-1(2h)-yl}tetrahydrofuran-2-yl]methyl dihydrogen phosphate
+CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cc(cnc3)C(=O)O)n4ccc(n4)C(F)(F)F	0R9	5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1h-pyrazol-1-yl]-1h-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid
+c1cc(cc(c1)c2cc3cc[nH]c3nc2)CCC(=O)O	0RA	3-[3-(1h-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid
+c1c([nH]nn1)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N	0RB	2-amino-4-oxo-n-(1h-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CCN)O)O)O	0RC	5'-o-[(s)-{[(r)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(cc4)C(=O)O	0RD	4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1h-indol-6-yl}carbonyl)amino]benzoic acid
+CCCC[C@@H](CO)O	0RE	(2s)-hexane-1,2-diol
+C[C@@H]1C[C@H](c2c1c(ncn2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)c4ccc(cc4)Cl)O	0RF	(2s)-2-(4-chlorophenyl)-1-{4-[(5r,7r)-7-hydroxy-5-methyl-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-one
+c1cc(cc(c1)n2c(cc(n2)C(F)(F)F)C(=O)Nc3cc(ccc3F)[C@@H](c4cccc(c4)C#N)NCC5CC5)CN	0RI	orladeyo
+C([C@@H](C(=O)O)N)NC=O	0RJ	3-(formylamino)-l-alanine
+Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(c(c4)Cl)C(=O)O	0RK	2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1h-indol-6-yl}carbonyl)amino]benzoic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C	0RM	(2r,4s)-2-{(r)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C	0RN	sulbactam
+CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(S4)(C)C	0RO	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine
+CC[C@@H]1C[C@@H](c2cc(ccc2N1C(=O)OCC)C(F)(F)F)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)OC	0RP	ethyl (2r,4s)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2h )-carboxylate
+CC(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	0RQ	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(4-oxidanylidenepentylamino)propyl]amino]butyl] hydrogen phosphate
+c1cc(c(c(c1)Cl)CN2c3ccc(cc3/C(=C/4\C(=O)N(C(=S)S4)CCC(=O)O)/C2=O)Cl)Cl	0RR	3-{(5z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3h-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
+CN(C)C1CCN(CC1)c2ccc3c(n2)nc([nH]3)C(=O)c4ccnc(c4)c5cncc6c5cccc6	0RS	{5-[4-(dimethylamino)piperidin-1-yl]-1h-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone
+CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F)C	0RT	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
+Cc1cccc2c1NC(=NC2=O)CSc3ncccn3	0RU	8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1h)-one
+CC1=C(C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C	0RV	(2s)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2h-pyrro le-5-carboxylic acid
+Cc1c2ccccc2n[nH]1	0RW	3-methyl-2h-indazole
+c1cc(ccc1NC(=O)c2ccnc(c2)N3CCOCC3)Oc4ccncc4	0RX	2-(morpholin-4-yl)-n-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide
+c1cc(cc(c1)NC(=O)/C=C\C(=O)O)C(=O)N	0RY	(2z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid
+c1cc(cc(c1)NC(=O)/C=C/C(=O)O)C(=O)N	0RZ	(2e)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid
+c1cc(ccc1/N=N/C2=CC=C(NC2=O)O)S(=O)(=O)N	0S0	4-[(e)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2[C@H](C[C@@H]2O)CC=C	0S1	n-((1r,2s)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form
+CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)C(C)C	0S2	5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid
+CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)N(C)C	0S3	5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid
+CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO	0S4	n-hydroxy-2-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide
+c1ccc(cc1)C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3CCCC3)CN(C=O)O	0S5	n-benzoyl-1-[(2r)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl]-l-prolinamide
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)OC)c4ccc(cc4)Cl)C	0S6	methyl [(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
+Cc1cc([nH]n1)Nc2c(cnc(n2)NCCc3cccnc3)Br	0S7	5-bromo-n~4~-(3-methyl-1h-pyrazol-5-yl)-n~2~-[2-(pyridin-3-yl)ethyl]pyrimidine-2,4-diamine
+Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCCOC)Br	0S8	5-bromo-n~4~-[3-(3-methoxypropyl)-1h-pyrazol-5-yl]-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
+Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCc4ccccc4)Br	0S9	5-bromo-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-n~4~-[3-(2-phenylethyl)-1h-pyrazol-5-yl]pyrimidine-2,4-diamine
+CCCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	0SA	undecyl 4-o-alpha-d-glucopyranosyl-1-thio-beta-d-glucopyranoside
+c1cc(cc(c1)N2CCNCC2)c3cccc(n3)Nc4cc(ccn4)C(F)(F)F	0SB	n-{6-[3-(piperazin-1-yl)phenyl]pyridin-2-yl}-4-(trifluoromethyl)pyridin-2-amine
+CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4c5cc[nH]c5ccc4F)N6CCOCC6)O	0SC	2-(1-{[2-(5-fluoro-1h-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol
+CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cccc5c4c[nH]n5)N6CCOCC6)O	0SD	2-(1-{[2-(2h-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol
+CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cnc(nc4)N)N5CCOCC5)O	0SE	2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol
+CCc1cc(ccc1Cl)Oc2ccnc(n2)N(Cc3cccc(c3)OC(C(F)F)(F)F)C[C@H](C(F)(F)F)O	0SF	(2r)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol
+CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O	0SG	n-{(2s,3r,4e)-1-[(3,6-di-o-sulfo-beta-d-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	0SH	n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexadecanamide
+c1ccc(cc1)COc2ccc3c(c2)-c4ccsc4NC3=O	0SI	8-phenylmethoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
+c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)Cl	0SJ	(1r,5s)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
+C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)c4cc(cc(c4S3)NO)C(F)(F)F	0SK	8-(hydroxyamino)-2-[(2s)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4h-1,3-benzothiazin-4-one
+c1ccc2cc(ccc2c1)S(=O)(=O)N3CCC[C@H](C3)C(=O)O	0SL	(3r)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid
+CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](C)O	0SM	trimethyl-[2-[[(2s,3s)-2-(octadecanoylamino)-3-oxidanyl-butoxy]-oxidanyl-phosphoryl]oxyethyl]azanium
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O	0SN	{4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCNC(=O)OC(C)(C)C	0SO	tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate
+CCCSSCCCNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	0SP	2'-deoxy-n-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate)
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N	0SQ	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCN3CCOCC3	0SR	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCN(CC3)C(=O)Nc4cc(nn4c5ccc(cc5)C)C(C)(C)C	0SS	n-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCOCC3	0ST	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCO	0SU	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(2-hydroxyethyl)urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCCCO	0SV	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(5-hydroxypentyl)urea
+c1ccc(cc1)CCNc2c3ccccc3ncn2	0SW	n-(2-phenylethyl)quinazolin-4-amine
+c1cc2c(cc1Cl)c3c(o2)C(=O)NC(=N3)[C@@H]4CCCN4	0SX	8-chloro-2-[(2s)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3h)-one
+c1cnccc1c2cc3c([nH]2)CCNC3=O	0SY	2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)O	0SZ	3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)benzoic acid
+CNC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2	0T0	3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)-n-methylbenzamide
+CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	0T1	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate
+CC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5	0T2	2-chloro-3-[(2-cyanopropan-2-yl)oxy]-n-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide
+c1cc(ccc1C#N)[C@H]2CCCc3n2cnc3	0T3	4-[(5r)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
+CC(c1ccccc1)NC(=O)c2cc(cc(c2)NO)C(F)(F)F	0T4	3-(hydroxyamino)-n-[(1r)-1-phenylethyl]-5-(trifluoromethyl)benzamide
+CC(c1ccccc1)NC(=O)c2cc(cc(c2)[N+](=O)[O-])C(F)(F)F	0T5	3-nitro-n-[(1r)-1-phenylethyl]-5-(trifluoromethyl)benzamide
+Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC	0T6	1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
+CCCc1nc(c2n1c3ccc(cc3nc2C)OCc4ccc5ccccc5n4)C	0T7	3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline
+c1cnccc1CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	0T8	4-(cyclopentylamino)-n-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide
+CC[C@H](C)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	0T9	 (3s,8s,9s,10r,13s,14s,17r)-3-hydroxy-10,13-dimethyl-17-[(2s,6s)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16h-cyclopenta[a]phenanthren-16-one
+Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3c[nH]nc3)C4CCCC4	0TA	2-amino-8-cyclopentyl-4-methyl-6-(1h-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc(c(nc3)OC)F)N4CCCC4	0TB	2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8h)-one
+CS[C@@H]([C@@H](C(=O)O)N)C(=O)O	0TD	(3s)-3-(methylsulfanyl)-l-aspartic acid
+CSC1=NN2C(=C3C=CC=CN3[Cu]2(S1)Cl)c4ccccn4	0TE	chloro{methyl hydrogenato(3-)-kappa~2~n,s [pyridin-2-yl(pyridin-2(1h)-ylidene-kappan)methyl]carbonodithiohydrazonate}copper
+C(CCNC(=O)[C@@H](CCCN)N)C[C@@H](C(=O)O)N	0TF	n~6~-d-ornithyl-l-lysine
+CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)O	0TH	n-(propylsulfonyl)-d-threonine
+c1cc2c(cc1F)[C@H](C(=O)N2)O	0TI	(3r)-5-fluoro-3-hydroxy-1,3-dihydro-2h-indol-2-one
+c1nc2c(n1CC(=O)NCCCCCC=O)c(c(c(c2Br)Br)Br)Br	0TJ	n-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1h-benzimidazol-1-yl)acetamide
+C(C[C@H](C(=O)OP(=O)(O)O)N)CN	0TK	(2r)-2,5-diaminopentanoyl dihydrogen phosphate
+CN(C)C(=O)CSc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)OC)OC	0TM	2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7h-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-n,n-dimethylacetamide
+c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81	0TN	delta-ru(phen)2(dppz) complex
+COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl	0TO	n-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
+CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	0TP	4-amino-n-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)/C(=C(\C)/NC)/C(=O)N5	0TQ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({(3z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1h-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+C1=CC=C(C(=O)C=C1)O	0TR	2-hydroxycyclohepta-2,4,6-trien-1-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)S)CO)CO)CO)CO)O)O)O)O	0TS	beta-d-glucopyranosyl-(1->4)-4-thio-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-4-thio-beta-d-glucopyrano  syl-(1->4)-1-thio-beta-d-glucopyranose
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)CC3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)CO)O	0TT	1-[(2r,4s,5r)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5r)-1-[(2r,4s,5r)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione
+c1cc2c(cc1Cl)C=CC(=O)N2	0TU	6-chloroquinolin-2(1h)-one
+CCN(CC)CCC[C@H](C)Nc1ccnc2c1ccc(c2)Cl	0TX	(4s)-n~4~-(7-chloroquinolin-4-yl)-n~1~,n~1~-diethylpentane-1,4-diamine
+Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4	0TZ	3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-n-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
+C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O	0U	l-uridine-5'-monophosphate
+Cc1nc(cc(n1)Nc2cnccn2)c3c(nc4n3nccc4)Nc5cc[nH]n5	0U0	3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-n-(1h-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine
+C[Se][C@H]1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	0U1	2'-methylselenyl-2'-deoxy-l-uridine-5'-monophosphate
+CCC(CC)(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO	0U3	n-hydroxy-2-{4-[3-(4-{[(2s)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCCC4CCN(CC4)Cc5ccccc5)O	0U4	n-[(2s,3r)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+CCCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3C(c4ccccc4C=N3)C=C(C)C	0U5	(2e)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one
+CCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3[C@H](c4ccccc4C=N3)C=C(C)C	0U6	(2e)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one
+c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(cc(c3)Cl)Cl	0U7	3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
+C1[C@@H]2[C@H]([C@@H]([C@@](O2)(OC[C@@H]3[C@H]([C@@H]([C@](O1)(O3)CO)O)O)CO)O)O	0U8	(1r,4r,5s,6s,7r,10r,11s,12s)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol
+C[C@@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O	0U9	s-bicalutamide
+c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl	0UA	3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)OC[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O)O)O)O)O)O)O)O	0UB	beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranose
+c1cc(c(cc1S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)Br	0UC	4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
+[H]/N=C(\NCC)/NC(=O)Nc1c(cccc1C(C)C)C(C)C	0UD	n-[2,6-di(propan-2-yl)phenyl]-n'-(n-ethylcarbamimidoyl)urea
+CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN	0UE	ferrioxamine b
+CCCCN1C(=O)C(=CC=CC=C2N(c3ccccc3O2)CCCS(=O)(=O)O)C(=O)N(C1=S)CCCC	0UF	3-[(2e)-2-[(2z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2h)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2h)-yl]propane-1-sulfonic acid
+C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O	0UH	2'-deoxy-2-oxoadenosine 5'-(dihydrogen phosphate)
+c1cc2c(cc1O)-c3ccsc3NC2=O	0UI	8-oxidanyl-4~{h}-thieno[2,3-c]isoquinolin-5-one
+CS(=O)(=O)NCc1nc2cnc3c(c2n1[C@@H]4C[C@H]5CC[C@@H]4C5)cc[nH]3	0UJ	n-({1-[(1r,2r,4s)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide
+C[C@@H]1[C@@H]2[C@@H](C(/C(=C/C3=N/C(=C(\C4=N[C@@]([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)([C@@]([C@@H]4CCC(=O)O)(C)CC(=O)O)C)/C)/[C@@]([C@@H]3CCC(=O)O)(C)CC(=O)O)/N2)(C)C)CCC(=O)O	0UK	3-[(1r,2r,3r,5r,6s,7r,9z,12s,13s,14z,17s,18s,19r)-2,13,18-tris(2-hydroxy-2-oxoethyl)-3,12,17-tris(3-hydroxy-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,12,17,22-octahydrocorrin-7-yl]propanoic acid
+c1ccc(cc1)c2cn3c(cn2)nc(n3)N	0UL	6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine
+CCCN[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	0UM	(2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl	0UN	n-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
+COc1cccc2c1c(c[nH]2)C[C@@H](C(=O)O)N	0UO	4-methoxy-l-tryptophan
+C[C@H]1C[C@]2(CCN1Cc3ccc(c(c3)OC(C)C)O)CN(S(=O)(=O)N2c4cccc(c4)F)C	0UP	4-{[(5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol
+C[C@H]1C[C@]2(CCN1Cc3cccc(c3)OC(C)C)CN(S(=O)(=O)N2c4cccc(c4)F)C	0UQ	(5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
+C=CCNS(=O)(=O)c1cccc(c1)C(=O)Nc2nc3cc(ccc3n2C4CCC(CC4)CO)CN5CCCCC5	0US	n-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1h-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide
+c1ccc(cc1)C(c2ccccc2)(C(=O)O)O	0UT	hydroxy(diphenyl)acetic acid
+COC(=O)C1CCC(CC1)n2c3cc(ccc3nc2NC(=O)c4ccccc4)CN5CCCCC5	0UU	methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1h-benzimidazol-1-yl]cyclohexanecarboxylate
+CC(C)NC(=O)C1CCC(CC1)N\2c3cc(ccc3N/C2=N\C(=O)c4ccc(cc4)F)CN5CCC(CC5)C(C)(C)O	0UV	4-fluoro-n-{(2e)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2h-benzimidazol-2-ylidene}benzamide
+c1ccc(cc1)C2=NNC(=O)N2	0UW	5-phenyl-2,4-dihydro-3h-1,2,4-triazol-3-one
+CNc1[nH]c2cc3c(c(c2n1)CCNCC45CC6CC(C4)CC(C6)C5)N=C(NC3=O)N	0UX	6-amino-2-(methylamino)-4-(2-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1cc(c(cc1[C@H](C(=O)O)N)Cl)O	0UZ	(2r)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid
+CCOc1cc(ccc1C[NH3+])OCC#Cc2ccc3ccncc3c2	0V0	(2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium
+CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5ccc(cc5)c6ccccc6)N=C(NC3=O)N	0V2	6-amino-4-[2-({[trans-4-(biphenyl-4-ylethynyl)cyclohexyl]methyl}amino)ethyl]-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5cccnc5)N=C(NC3=O)N	0V3	6-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC	0V4	(4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-d-glucopyranoside
+C[C@H](C(=O)O)OP(=O)(O)O	0V5	(2r)-2-(phosphonooxy)propanoic acid
+[H]/N=C\1/NC(CC(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl	0V6	(2z,6s)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1h)-one
+c1cc(cc(c1)F)CNCCS(=O)(=O)O	0V7	2-[(3-fluorobenzyl)amino]ethanesulfonic acid
+c1cc(cc(c1)Br)CNCCS(=O)(=O)O	0V8	2-[(3-bromobenzyl)amino]ethanesulfonic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCC	0V9	(19r,22s)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9z)-hexadec-9-enoate
+[H]/N=C(/NCc1cc(c(c(c1)Cl)N)Cl)\NC(=O)c2c(snc2c3ccc(cc3)OC)C	0VA	n-[n-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
+[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)C)/NC(=O)c2c(snc2c3ccc(cc3)OC)C	0VB	n-{n-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
+COCC[C@H]1C[C@@H]1c2cc(cnc2)OC[C@@H]3CCN3	0VC	3-[(2s)-azetidin-2-ylmethoxy]-5-[(1s,2r)-2-(2-methoxyethyl)cyclopropyl]pyridine
+c1ccc(cc1)COc2ccc(cc2)CC(=O)[C@H](Cc3c[nH]cn3)N	0VD	(3s)-3-amino-1-[4-(benzyloxy)phenyl]-4-(1h-imidazol-4-yl)butan-2-one
+CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O	0VE	3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol
+COc1ccc(cc1OC)Nc2c3c(nc(n2)N4CC[C@@H](C4)NC(=O)c5ccc(cc5)C(=O)O)scn3	0VF	4-{[(3s)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acid
+C[C@H]1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5	0VG	n-{6-[(2s)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine
+CCc1cccc(n1)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N	0VH	6-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide
+COc1ccc(cc1)CC2=C(C(=O)c3ccccc3C2=O)O	0VJ	2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione
+CCCc1cc(ccc1c2cc(ccc2C)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O	0VK	3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol
+c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F	0VM	2-[(4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-1h-benzimidazole-6-carbonitrile
+CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N	0VN	2-[(4-tert-butylphenyl)amino]-1h-benzimidazole-6-carbonitrile
+CCC(=CC=CC(CC)(CC)O)c1cccc(c1)OCc2ccc(c(c2)CO)CO	0VO	(4e,6z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol
+CCCc1cc(ccc1c2cc(ccc2CC)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O	0VP	3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol
+CC/C(=C\C=C\C(C(F)(F)F)(C(F)(F)F)O)/c1cccc(c1)CCc2ccc(c(c2)CO)CO	0VQ	(3e,5e)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol
+c1ccc(c(c1)C(=O)O)NC[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	0VR	1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate
+CC1=C(C(=O)c2ccccc2C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	0VS	l-gamma-glutamyl-s-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-l-cysteinylglycine
+CC(=CCCC(=O)C)C	0VT	6-methylhept-5-en-2-one
+c1cc(cc(c1)C(=O)N2CCCCC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N	0VU	4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide
+c1ccc2c(c1)CN/C(=N\S(=O)(=O)N)/N2	0VV	n-[(2e)-3,4-dihydroquinazolin-2(1h)-ylidene]sulfuric diamide
+C1CNC(=NS(=O)(=O)N)NC1	0VW	n-(tetrahydropyrimidin-2(1h)-ylidene)sulfuric diamide
+C1CO/C(=N\S(=O)(=O)N)/N1	0VX	n-[(2z)-1,3-oxazolidin-2-ylidene]sulfuric diamide
+C1CCN(C1)/C(=N/S(=O)(=O)N)/N	0VY	n'-sulfamoylpyrrolidine-1-carboximidamide
+CCOC(=O)[C@@H]1CS/C(=N\S(=O)(=O)N)/N1	0VZ	ethyl (2z,4r)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(=O)c2cc(no2)C3=CC(=O)C(=CN3O)O)NS(=O)(=O)O	0W0	(4r,5s,8z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid
+Cc1c2cc(sc2n(n1)C)C(=O)O	0W1	1,3-dimethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid
+C[C@@H](C(=O)N1CC[C@@H](N1c2ccccc2F)c3ccccc3Cl)NC(=O)NC4C5CC6CC(C5)CC4C6	0W2	1-{(2s)-1-[(3r)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-oxopropan-2-yl}-3-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]urea
+C[C@H](CCC(=O)O)C[C@H](C)C[C@H](C)C(=O)CC(=O)[C@H](C)C[C@H](C)C/C=C\[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O	0W3	(4r,6s,8s,12r,14r,16z,18r,19r,20s,21s)-19,21-dihydroxy-22-{(2s,2'r,5s,5's)-5'-[(1r)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid
+c1ccc(c(c1)CNc2c(nccn2)C(=O)NCc3ccccc3Cl)Cl	0W4	~{n}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
+CC(C)CCCCC/C=C/C=C/C(=O)O	0W5	(2e,4e)-11-methyldodeca-2,4-dienoic acid
+C[C@@H](CCC(=O)O)N	0W6	(4s)-4-aminopentanoic acid
+c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3	0W7	2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-n-phenylacetamide
+CCN1c2ccccc2NC1=O	0W8	1-ethyl-1,3-dihydro-2h-benzimidazol-2-one
+c1cc(c(cc1F)Nc2nc(cs2)c3ccncc3)O	0WA	4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol
+c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#N	0WB	3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile
+C[C@@](C#Cc1ccc2c(c1)N(CC2)c3c(cnc(n3)N)Cl)(c4nccs4)O	0WC	(2r)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1h-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)OP(=O)(O)O)O)N	0WD	[[(2r,3s,4r,5r)-5-(3-aminocarbonyl-4h-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4	0WE	n-methyl-n-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide
+C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)Oc5ccccc5	0WF	1-cyclopentyl-6-[(1r)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CN1c2c(c(c(c(n2)N)CN)c3ccccc3Br)C(=O)N(C1=O)C	0WG	7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione
+Cn1cc(c2c1ncnc2N)c3ccc4c(c3)CCN4C(=O)Cc5cccc(c5)C(F)(F)F	0WH	1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
+C1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O	0WK	1,5-anhydro-6-o-phosphono-d-glucitol
+C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)c5ncccn5	0WL	1-cyclopentyl-6-{(1r)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F	0WM	(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
+CN(C)CCCC(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F	0WN	n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
+Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O	0WO	(2r,4s)-2-[(r)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid
+CC(C)(C#N)c1cccc(c1)C(=O)Nc2ccc(c(c2F)C(=O)Nc3cc4c([nH]nc4nc3)OC)F	0WP	3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-n-(3-methoxy-2h-pyrazolo[3,4-b]pyridin-5-yl)benzamide
+CC(C)(C1CCN(CC1)Cc2nc3c(n2C)nc(nc3N4CCOCC4)n5c6ccccc6nc5N(C)C)O	0WR	2-[1-({2-[2-(dimethylamino)-1h-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9h-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol
+c1c[nH]nc1c2cc(ccn2)C(=O)O	0WS	2-(1h-pyrazol-3-yl)pyridine-4-carboxylic acid
+CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Oc5cncnc5)Cl	0WT	(1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
+CC1=CC[C@@H](CC1=O)C(=C)C	0WU	(5s)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
+Cc1ccc(cc1O)C(=C)C	0WV	2-methyl-5-(prop-1-en-2-yl)phenol
+c1cc(sc1)CNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O	0WW	4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1c2c(c(c3c1nc([nH]3)NCCN4CCOCC4)CCNCC5CCCCC5)N=CNC2=O	0WX	4-{2-[(cyclohexylmethyl)amino]ethyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=C(NC4=O)N	0WY	6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1cnn(c1)c2cc(ccc2O)C[C@@H](C(=O)O)N	0WZ	3-(1h-pyrazol-1-yl)-l-tyrosine
+Cc1ccc(cc1)S(=O)(=O)[N@@](CC(=O)NC(C(C)C)C(C)C)c2ccc(c(c2)OC)OC	0X0	2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-n-(2,4-dimethylpentan-3-yl)ethanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N4C2=NNC4=O)Oc5ccccc5)O	0X1	(5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate
+c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl	0X2	2,6-dichloro-n-(2-oxo-2,5-dihydropyridin-4-yl)benzamide
+c1cc(c(c2c1non2)[N+](=O)[O-])Nc3cc(cc(c3)Cl)F	0X3	n-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
+c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl	0X5	2,6-dichloro-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
+c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)C3CC3	0X6	2,6-dichloro-4-cyano-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
+Cc1ccccc1CNc2c(nccn2)C(=O)N	0X7	3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
+CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)OC/C=C/C(=O)O)C=CC(O4)(C)C)C	0X8	(~{e})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NS(=O)(=O)N	0X9	n~2~-sulfamoyl-l-arginine
+Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/CCCC2=O)[C@@H](CNC(C)(C)c3ncc(o3)C(C)(C)C)O	0XA	(4s,8e)-4-[(1r)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione
+c1cc(cc(c1)F)Nc2ccc3c(c2[N+](=O)[O-])non3	0XB	n-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
+[H]/N=C(\CCCCN)/C(=O)O	0XC	(2e)-6-amino-2-iminohexanoic acid
+[H]/N=C(\CCSC)/C(=O)O	0XD	(2e)-2-imino-4-(methylsulfanyl)butanoic acid
+c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2	0XE	5,6-dihydroxy-4-oxo-2-phenyl-4h-chromen-7-yl beta-d-glucopyranosiduronic acid
+Cc1ccc(nc1C)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N	0XF	6-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide
+CN(C)C(=O)c1ccc(cc1)Nc2ncc(c(n2)OC)c3cc(cs3)C(=O)O	0XG	5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid
+c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)[C@H]3C[C@H]3F)Cl	0XH	2,6-dichloro-n-[2-({[(1r,2r)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
+C/C(=C\COP(=O)(O)O)/c1ccccc1	0XI	(2e)-3-phenylbut-2-en-1-yl dihydrogen phosphate
+CCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C	0XJ	(6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione
+CCC(CC)(C(=O)O)N	0XL	2-amino-2-ethylbutanoic acid
+c1ccc(cc1)C(c2ccccc2)N	0XM	1,1-diphenylmethanamine
+c1cc(ccc1C(c2ccc(cc2)F)N)F	0XN	1,1-bis(4-fluorophenyl)methanamine
+C[C@@](CCCCN)(C(=O)O)N	0XO	2-methyl-d-lysine
+c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)[C@H]3C[C@H]3F	0XP	2,6-dichloro-4-cyano-n-[2-({[(1r,2r)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
+C[C@@](CCCCCCN)(C(=O)O)N	0XQ	(2r)-2,8-diamino-2-methyloctanoic acid
+CCOC(=O)/C=C/c1ccc(c(c1)O)O	0XR	ethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
+c1c2cc(c(nc2nc(c1C(=O)N)N)C(F)(F)F)Br	0XS	2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
+Cc1c(nc2c(n1)c(nc(n2)N)N)OC	0XT	7-methoxy-6-methylpteridine-2,4-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](/C(=C\[C@H](CC[C@@H](C(=O)O)N)N)/O3)O)O)N	0XU	(2s,5s,6e)-2,5-diamino-6-[(3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3h)-ylidene]hexanoic acid
+Cc1cc(cc(c1O)C)C(=O)c2c(oc3c2cccc3)C	0XV	(4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone
+C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C	0XW	(2s,4r)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate
+CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5	0XX	n-(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-n'-(4-{[(3s)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1O)(CO)F)O)O	0XY	5-fluoro-n-acetyl-alpha-d-glucosamine
+c1cc(ccc1[C@H](CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	0XZ	4-amino-n-[(1s)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC[C@@H](C(=O)O)N)O)O)N	0Y0	5'-{[(3s)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine
+c1ccc2c(c1)c(c[nH]2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	0Y1	5'-{[(3s)-3-amino-3-carboxypropyl][2-(1h-indol-3-yl)ethyl]amino}-5'-deoxyadenosine
+c1ccc2c(c1)c(cs2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	0Y2	5'-{[(3s)-3-amino-3-carboxypropyl][2-(1-benzothiophen-3-yl)ethyl]amino}-5'-deoxyadenosine
+CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5	0Y3	n,n'-bis(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide
+Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)Nc4cn(cn4)C	0Y4	n-[5-({3-cyano-7-[(1-methyl-1h-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3)Oc4cccc(c4)C(F)(F)F)C(=O)O	0Y5	4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid
+CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	0Y7	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2s)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid
+c1cc(cc2c1ccnc2O[C@@H]3C[C@H](NC3)C(=O)O)Br	0Y8	(4r)-4-[(7-bromoisoquinolin-1-yl)oxy]-l-proline
+C=C[C@@H]1C[C@@]1(C(=O)O)N	0Y9	(1r,2s)-1-amino-2-ethenylcyclopropanecarboxylic acid
+C1CC1S(=O)(=O)N	0YA	cyclopropanesulfonamide
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)(C)C)c3ccc(c(c3)Oc4cccc(c4)Br)C(=O)O	0YB	2-(3-bromophenoxy)-4-{(1r)-3,3-dimethyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
+c1cc(cnc1)CN	0YC	1-(pyridin-3-yl)methanamine
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)O	0YD	3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoic acid
+c1ccc(cc1)c2cc(on2)CCC(=O)O	0YE	3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
+c1ccc(cc1)c2ccc(cc2)CCC(=O)O	0YF	3-(biphenyl-4-yl)propanoic acid
+c1cc(ccc1/C=C(/C(=O)NCC(=O)O)\N)O	0YG	n-[(2z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cc(n[nH]3)c4ccc(cc4C)OC	0YH	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1h-pyrazol-5-yl]urea
+c1ccc(c(c1)CNc2c(nccn2)C(=O)N)Cl	0YI	3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc4c3[nH]c(c4)C(=O)NC(C)C	0YJ	7-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)-n-(propan-2-yl)-1h-indole-2-carboxamide
+CC1=CN2CCS(=O)(=O)N=C2C(=N1)c3ccc(cc3)OC4CCCCC4	0YK	7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)O	0YL	(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoic acid
+Cc1c(csc1CCO)Cc2cnc(nc2N)C	0YN	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol
+COc1cnc(nc1c2cc3c([nH]2)CCNC3=O)c4cc5ccccc5nc4	0YO	2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+COc1ccccc1C(=C(C(=O)N2CCCCC2)NC(=O)c3ccc(cc3)[N+](=O)[O-])Br	0YP	n-[(1e)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)NCCNC(=O)CN(CC(=O)O)CC(=O)O)O)O	0YQ	2,2'-[(2-{[2-({[(2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name)
+C([C@H]([C@H]([C@H](C(=O)NO)O)O)O)O	0YR	(2r,3r,4r)-n,2,3,4,5-pentakis(oxidanyl)pentanamide
+c1c(cc(c(c1Cl)O)Cl)C(=O)N[C@@H](C[C@H]2CC[C@@](N2)([C@H]([C@H](C(=O)O)N)O)C(=O)O)C(=O)O	0YS	(5r)-2-[(1s,2r)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2s)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-l-proline
+CC(=O)NC1C(C(C(SC1O)CO)O)O	0YT	2-acetamido-2-deoxy-5-thio-beta-d-glucopyranose
+c1cc(ccc1c2[nH]ccn2)NC(=O)c3ccc(cc3[N+](=O)[O-])C(=O)Nc4ccc(cc4)C5=NCCN5	0YU	n~4~-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]-n~1~-[4-(1h-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide
+c1cc(cc(c1)C#Cc2cc(cc(c2)Br)CCN)C#Cc3cc(cc(c3)Br)CCN	0YV	2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine
+CCCCCCCCCCOc1cccc(c1)C(=O)Nc2ccc(cc2C(=O)O)[N+](=O)[O-]	0YW	2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid
+CCCCCCCCOc1cccc(c1)COc2ccc(cc2P(=O)(O)O)Br	0YX	(5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid
+CCCCCCCCOc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O	0YY	(2z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid
+CCCCCCCCCCOc1cccc(c1)C(=O)/C=C(/C(=O)O)\O	0YZ	(2z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid
+	0Z0	n-(trifluoroacetyl)-l-phenylalanyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
+CC(C)c1ccc(cc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F	0Z1	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-prolinamide
+CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)C(F)(F)F)NC(=O)C(F)(F)F	0Z2	n-(trifluoroacetyl)-l-leucyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
+CC(C)c1ccc(cc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F	0Z3	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-phenylalaninamide
+CC(C)C[C@@H](C(=O)Nc1ccc(cc1)C(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F	0Z4	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-leucinamide
+c1ccc(cc1)C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N	0Z6	d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O	0Z7	n-acetyl-d-phenylalanyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide
+CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)NO)NC(=O)OCc1ccccc1	0Z9	n-[(benzyloxy)carbonyl]-l-leucyl-n-hydroxy-l-alaninamide
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)ON4)Cl)C	0ZA	3-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2h)-one
+	0ZB	n-benzyl-n~2~-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-alpha-asparagine
+	0ZC	(3r)-2-[n-(furan-2-ylcarbonyl)-l-leucyl]-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid
+CC(C)[C@H](C(=O)O)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)O)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5	0ZD	n,n'-bis(2-[(biphenyl-4ylsulfonyl)[(2r)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-amino]ethyl)benzene-1,3-dicarboxamide
+c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](c4nc5ccccc5s4)O)N	0ZE	[[[(4s,5s)-4-[[(3s,6s,8ar)-6-azanyl-5-oxo-6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizin-3-yl]carbonylamino]-5-(1,3-b enzothiazol-2-yl)-5-hydroxy-pentyl]amino]-azanyl-methylidene]azanium
+[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)\N	0ZG	3-[(2s)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
+	0ZI	amino{[(4s)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)C(CCl)O)NC(=O)CS	0ZJ	n-(sulfanylacetyl)-d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-prolinamide
+CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O	0ZL	n-(ethoxycarbonyl)-l-leucyl-n-[(1r,2s,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-l-leucinamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O	0ZN	n-[(1r)-1-carboxy-3-phenylpropyl]-l-leucyl-l-tryptophan
+C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](CCl)O)NC(=O)CCC(=O)O	0ZO	n-(3-carboxypropanoyl)-l-alanyl-l-alanyl-n-[(2s,3s)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-l-prolinamide
+CC[C@H](C)CNC(=O)[C@H](CC(C)C)C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)O	0ZP	n-[(1r,2r,4r)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2r)-2-methylbutyl]carbamoyl}heptyl]-3-(1h-imidazol-3-ium-4-y l)-n~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-l-alaninamide
+CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N)Cc3ccccc3	0ZQ	n-{(3s)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O	0ZR	n-{(2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-glutaminyl-l-phenylalaninamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O	0ZS	n-{(2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O	0ZT	n-{(2s,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide
+B([C@H](CCCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(O)OCCCO	0ZW	n-(tert-butoxycarbonyl)-l-alanyl-n-{(1s)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-l-valinamide
+	0ZX	n-(tert-butoxycarbonyl)-l-alanyl-n-[(1s)-5-amino-1-(diethoxyboranyl)pentyl]-l-valinamide
+B([C@H](CCCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(O)OC	0ZY	n-(tert-butoxycarbonyl)-l-alanyl-n-{(1r)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-l-valinamide
+CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)[C@@H](CSCc1ccccc1)O)NC(=O)Cc2cc(ccc2OC)Br	0ZZ	5-s-benzyl-3-({n-[(5-bromo-2-methoxyphenyl)acetyl]-l-valyl}amino)-2,3-dideoxy-5-thio-d-erythro-pentonic acid
+c1cc2c(cc1Cl)c(c[nH]2)C(=O)/C=C(/c3n[nH]nn3)\O	100	1-(5-chloroindol-3-yl)-3-hydroxy-3-(2h-tetrazol-5-yl)-propenone
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N	101	2'-deoxy-adenosine 3'-monophosphate
+c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N	102	gamma-deoxy-gamma-sulfo-guanosine-5'-triphosphate
+C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O	103	2',5'-dideoxy-adenosine 3'-monophosphate
+C(CNCCNCCN)N	104	n,n'-bis(2-aminoethyl)-1,2-ethanediamine
+B(CNC(=O)c1c(onc1c2ccccc2Cl)C)(O)O	105	n-[5-methyl-3-o-tolyl-isoxazole-4-carboxylic acid amide] boronic acid
+c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N	106	4-[(2z)-2-(5-bromo-2-oxo-1,2-dihydro-3h-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide
+c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)NCC3=C4c5c(ncs5)C=CC4=NC3=O	107	4-[(7-oxo-7h-thiazolo[5,4-e]indol-8-ylmethyl)-amino]-n-pyridin-2-yl-benzenesulfonamide
+C[C@@H](C(=O)O)NCc1cc(ccc1O)C(=N)N	108	2-(5-carbamimidoyl-2-hydroxy-benzylamino)-propionic acid
+C[C@@H](C(=O)O)NCc1ccc(cc1O)C(=N)N	109	2-(4-carbamimidoyl-2-hydroxy-benzylamino)-propionic acid
+CCCCCCCCCC[N+](C)(C)CCCCCCCCCC	10A	didecyl-dimethyl-ammonium
+CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2	10B	n-2-(biphenyl-4-ylsulfonyl)-n-2-(isopropyloxy)-acetohydroxamic acid
+C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=NC3=O)N)O)COP(=O)(O)O	10C	4-amino-1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}pyrimidin-2(1h)-one
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CF	10D	(2e)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CN	10E	(2e)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate
+c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CN[C@@H]3[C@@H](N2)[C@@H](N[C@@H](N3)N)O)C=O	10F	n-({4-[{[(2r,4s,4ar,6s,8as)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-d-glutamic acid
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CS	10G	(2e)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate
+C[C@@H]1CCCCN1S(=O)(=O)c2ccc(cc2)N3C=CCC3=O	10H	1-(4-{[(2r)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2h-pyrrol-2-one
+[H]/N=C(\NCCC)/NC(=O)Nc1c(cccc1CC)CC	10I	n-(2,6-diethylphenyl)-n'-(n-propylcarbamimidoyl)urea
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)C(=O)c3ccccc3)c4cc(cs4)c5cccc(c5)C#N	10J	3-{5-[(2e,4ar,7ar)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+c1cc(sc1)c2ccc(cc2)CC(=O)Nc3cc(n[nH]3)C4CC4	10K	n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide
+c1cc2cn[nH]c2c(c1)N	10L	1h-indazol-7-amine
+CCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	10M	decyl 4-o-alpha-d-glucopyranosyl-1-thio-beta-d-glucopyranoside
+CN(c1c(cccn1)CNc2c3cc([nH]c3ncc2C#N)c4ccccc4)S(=O)(=O)C	10N	n-(3-{[(5-cyano-2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-n-methylmethanesulfonamide
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3cccc(n3)OC)c4cc(cs4)c5cccc(c5)C#N	10O	3-{5-[(2e,4ar,7ar)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+C[n+]1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	10P	d-phenylalanyl-n-[(1-methylpyridinium-3-yl)methyl]-l-prolinamide
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)C#N)c4cc(cs4)c5cccc(c5)C#N	10Q	2-{(2e,4ar,7ar)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile
+[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@@H](CCO)O)CCCCC(CC)(CC)O	10R	1-(2-[(r)-2,4-dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane
+[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@H](CCO)O)CCCCC(CC)(CC)O	10S	1-(2-[(s)-2,4-dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane
+Cc1ccc(cc1)c2c(c(nc(c2C(=O)O)C)CC(C)C)CN	10T	5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid
+c1cc(ccc1CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCC3)C(=N)N	10U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)OC)c4cc(cs4)c5cccc(c5)C#N	10V	3-{5-[(2e,4ar,7ar)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ccccc3)c4ccc(s4)c5ccc(c(c5)C#N)F	10W	2-fluoro-5-{5-[(2e,4ar,7ar)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile
+CC/C=C\C[C@H]1[C@@H](O1)C/C=C\CCCCCCCC(=O)O	10X	(9z)-11-{(2s,3s)-3-[(2z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid
+CC/C=C\C[C@H]1[C@H](O1)C/C=C\CCCCCCCC(=O)O	10Y	(9z)-11-{(2r,3s)-3-[(2z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid
+COCCNCc1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4	10Z	n-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine
+CCCCOC(=O)[C@H]([C@H](C1CCC(CC1)N)NC(=O)c2ccc3n2C(=O)CN(C3)S(=O)(=O)Cc4ccccc4)O	110	3-(4-amino-cyclohexyl)-2-hydroxy-3-[(4-oxo-2-phenylmethanesulfonyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carbonyl)-amino]-propionic acid butyl ester
+CCCCOc1ccc(cc1)S(=O)(=O)[N@@]2C[C@H](C[C@@H]2C(=O)NO)NS(=O)(=O)C	111	(1n)-4-n-butoxyphenylsulfonyl-(2r)-n-hydroxycarboxamido-(4s)-methanesulfonylamino-pyrrolidine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)SCC(=O)N)O)O)N	112	thiophosphoric acid o-((adenosyl-phospho)phospho)-s-acetamidyl-diester
+C[C@H]1CC2=C([C@@H](O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2	113	7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1h,3h-pyrano[4,3-b]chromene-9-carboxylic acid
+CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O	114	(3r,5r)-3,5-dihydroxy-7-[(1s,2s,8s,8ar)-2-methyl-8-{[(2s)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h eptanoic acid
+CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)O)O)O)c3ccc(cc3)F	115	(3r,5s,6e)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1h-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
+CC(C)c1c(c(c(c(n1)C(C)C)COC)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O	116	7-[4-(4-fluoro-phenyl)-5-hydroxymethyl-2,6-diisopropyl-pyridin-3-yl]-3,5-dihydroxy-heptanoic acid
+CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4	117	7-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]- 3,5-dihydroxy-heptanoic acid
+c1ccc(cc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4	118	tetraphenylantimonium ion
+c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4	119	tetraphenylphosphonium ion
+CCCCCCCCCCC(=O)O	11A	undecanoic acid
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](CCCCC)NC(=O)OCc2ccccc2)O	11B	(5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-3-oxo-5-pentyl-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+C(C[C@H](C(=O)O)N)CC(=O)O	11C	(2r)-2-aminohexanedioic acid
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O	11D	11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid
+c1cc2c(cc1C(=O)NCC(=O)O)sc(n2)N	11E	n-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine
+Cc1c(c(nc(n1)N)N)C#C[C@@H](C)c2ccc(c(c2)OC)c3ccccc3	11F	5-[(3s)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+CC[C@@H]1C(=O)N(c2cncnc2N1C3CCCC3)C	11G	(7r)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5h)-one
+c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O	11H	9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid
+Cc1ccccc1CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O	11I	methyl (z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3I	11J	n-biphenyl-3-yl-2-iodobenzamide
+c1cc(ccc1CC(=O)Nc2cc([nH]n2)C3CC3)OCCN4CCCC4	11K	n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
+CSc1c2ccccc2c(s1)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN	11M	1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine
+c1ccc(cc1)C=CC(=O)N2CCC3(CC2)COc4c3cc(cc4)CN	11N	1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine
+CCCCC[C@@H]1[C@H](O1)[C@H](\C=C/CCCCCCCC(=O)O)O	11O	(trans-12,13-epoxy)-11-hydroxy-9(z)-octadecenoic acid
+c1cncc2c1CC[C@H]2C(O)(P(=O)(O)O)P(=O)(O)O	11P	[(7r)-6,7-dihydro-5h-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)
+C1CCC(CC1)CN2CCC[C@H]2C(=O)O	11Q	1-(cyclohexylmethyl)-l-proline
+CN(C)c1cccc(c1)OCCCCCCCCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24	11R	ruthenium wire, 11 carbon linker
+c1cc2c(cc[nH]2)cc1Cl	11S	5-chloro-1h-indole
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCC3)\N	11U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide
+c1ccc(cc1)[C@H](Cn2c3c(cn2)c(nc(n3)SCCN4CCOCC4)Nc5ccccc5)Cl	11V	1-[(2r)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-n-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C[C@H](C[C@@H](C(=O)O)N)C(=O)O	11W	(4r)-4-[(2e)-3-{4-[(e)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-l-glutamic acid
+c1ccc(cc1)NCc2cccnc2	11X	n-(pyridin-3-ylmethyl)aniline
+c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3cc(cs3)Br)c4ccc(c(c4)C(=O)O)Cl)O	11Y	5-[(2r)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-chlorobenzoic acid
+C1CCC(CC1)CCCCCCCCCCC(=O)O	11Z	11-cyclohexylundecanoic acid
+c1cc2c(cc1C(=[NH2+])N)nc([nH]2)C3=CC=CNC3=O	120	2-(2-oxo-1,2-dihydro-pyridin-3-yl)-1h-benzoimidazole-5-carboxamidine
+c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O	121	2-(3-hydroxy-pyridin-2-yl)-1h-benzoimidazole-5-carboxamidine
+c1ccc(c(c1)c2[nH]c3cc(ccc3n2)C(=[NH2+])N)O	122	2-(2-hydroxy-phenyl)-3h-benzoimidazole-5-carboxamidine
+COc1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O	123	2-(2-hydroxy-5-methoxy-phenyl)-1h-benzoimidazole-5-carboxamidine
+c1ccc(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)O	124	2-(2-hydroxy-phenyl)-1h-indole-5-carboxamidine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCF	125	2'-o-fluoroethyl-5-methyl-uridine-5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCOCCOC	126	2'-o-methyl-[tri(oxyethyl)]-5-methyl-uridine-5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON	127	2'-o-aminooxy-ethyl-5-methyl-uridine-5'-monophosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N	128	spiro(2,4,6-trinitrobenzene[1,2a]-2o',3o'-methylene-adenine-triphosphate
+C(CP(=O)(O)O)N(C=O)O	129	[2(formyl-hydroxy-amino)-ethyl]-phosphonic acid
+C[C@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O	12A	2-methylthio-n6-(aminocarbonyl-l-threonyl)-adenosine-5'-monophosphate
+c1cc2cccc3c2c(c1)C(=O)N3	12B	benzo[cd]indol-2(1h)-one
+c1ccc2c(c1)[nH]c(n2)C3=C(c4cc(ccc4NC3=O)Cl)N[C@@H]5CN6CCC5CC6	12C	4-[(3s)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1h-benzimidazol-2-yl)-6-chloroquinolin-2(1h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[C@@]5(O4)[C@@H](C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N	12D	2',3'-o-[(1r,6r)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)
+c1cnccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	12E	n-{[(2e)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-d-glucopyranosylamine
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34[N@@]2[C@@H](C[C@@H]4c5cccc(c5OCc6ccccc6)F)O)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)O)O)O)O)O	12F	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(1r,3r,3as)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+c1ccc(c(c1)[C@H]2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4ccccc4Cl)Cl	12G	{4-[(2r)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid
+C(CCCCCC(=O)O)CCCCCO	12H	12-hydroxydodecanoic acid
+CN1CCN(CC1)c2c3ccccc3ncn2	12I	4-(4-methylpiperazin-1-yl)quinazoline
+CC(C)Oc1cccc(c1)NC(=O)c2ccccc2I	12J	2-iodo-n-[3-(1-methylethoxy)phenyl]benzamide
+CC1(CCCCC1)NC(=O)O	12K	(1-methylcyclohexyl)carbamic acid
+CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)O)C	12L	(1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
+CCc1ccccc1CO	12M	(2-ethylphenyl)methanol
+C1CC(C1)C[C@@H]([C@H](C(=O)O)O)N	12N	(2r,3s)-3-amino-4-cyclobutyl-2-hydroxybutanoic acid
+c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@H]5C(=O)O	12O	(1r,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	12P	dodecaethylene glycol
+CN1c2ccccc2C=CC1=O	12Q	1-methylquinolin-2(1h)-one
+c1ccc(cc1)NNc2c3cn[nH]c3ncn2	12R	4-(2-phenylhydrazinyl)-1h-pyrazolo[3,4-d]pyrimidine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN	12S	6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)
+c1cc(c(cc1C(=O)O)N)C(=O)O	12T	2-aminobenzene-1,4-dicarboxylic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCC3)\N	12U	n-cycloheptylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	12V	(2s,3r,4r,5s,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C1CCC(C1)OC(=O)O	12W	cyclopentyl hydrogen carbonate
+CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](NC4)C(=O)O	12X	(4r)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-proline
+CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](NC4)C(=O)O	12Y	(4r)-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-proline
+c1cc(cnc1)C(=O)c2c(nc(s2)NC3CCCCC3)N	12Z	[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
+[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3cccc(c3O)c4ccccc4)/N	130	2-(2-hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine
+c1ccc(cc1)c2cccc(c2O)c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N	132	6-chloro-2-(2-hydroxy-biphenyl-3-yl)-1h-indole-5-carboxamidine
+[H]/N=C(\c1cc2c(cc1F)[nH]c(n2)c3cccc(c3O)OCC(C)C)/N	133	6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1h-benzoimidazole-5-carboxamidine
+[H]/N=C(\c1cc2cc([nH]c2cc1F)c3cccc(c3O)O[C@H]4CCCC[C@@H]4C)/N	134	6-fluoro-2-[2-hydroxy-3-(2-methyl-cyclohexyloxy)-phenyl]-1h-indole-5-carboxamidine
+[H]/N=C(\c1ccc(cc1)NC(=O)c2ccccc2O)/N	135	n-(4-carbamimidoyl-phenyl)-2-hydroxy-benzamide
+[H]/N=C(\c1ccc(cc1Cl)NC(=O)c2cc(cc(c2O)I)C)/N	136	n-(4-carbamimidoyl-3-choro-phenyl)-2-hydroxy-3-iodo-5-methyl-benzamide
+c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	137	1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@](Cc2ccc3c(c2)c(nc(n3)N)O)(CNCC(=O)N[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)O	138	n-[5'-o-phosphono-ribofuranosyl]-2-[2-hydroxy-2-[4-[glutamic acid]-n-carbonylphenyl]-3-[2-amino-4-hydroxy-quinazolin-6-yl]-propanylamino]-acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=O)NC5=O)O)O)N	139	adenosine-5'-[trihydrogen diphosphate] p'-3'-ester with 2'-deoxyuridine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NS(=O)(=O)NC2=O	13A	7-(3,4-dihydroxy-5r-hydroxymethyltetrahydrofuran-2-yl)-2,2-dioxo-1,2r,3r,7-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-4s-one
+c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O	13C	(5e)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2h,12h)-dione
+C(CN)CN	13D	1,3-diaminopropane
+CSCC[C@@H](C(=O)O)NC[C@H](Cc1ccccc1)N	13E	n-[(2s)-2-amino-3-phenylpropyl]-l-methionine
+CN1Cc2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3	13F	3-methyl-2-oxo-n-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
+CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O	13H	(9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid
+CCO[C@H]([C@H]1CCC\C=C\CCNC(=O)c2c(cc(c(c2CC1=O)Cl)O)O)O	13I	(e)-ethyl 13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydrobenzo[c][1]azacyclotetradecine-10-carboxylate
+CCC(=O)N1CCC[C@@H](C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N	13J	3-{4-amino-1-[(3s)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide
+COc1ccc(cc1OC)Nc2cc(nc(n2)N3CCOCC3)c4cnc(nc4)N	13K	n~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N	13L	3-{4-amino-1-[(3r)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide
+CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)OC)C(=O)O	13M	(2s)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid
+c1ccc(cc1)CNC(=O)[C@@H]2CCC\C=C\CCNC(=O)c3c(cc(c(c3CC2=O)Cl)O)O	13N	(5e,10r)-n-benzyl-13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydro-2-benzazacyclotetradecine-10-carboxamide
+C(C(=O)COP(=O)(O)O)O	13P	1,3-dihydroxyacetonephosphate
+c1cc(cc(c1)Cl)[C@H]2C[C@@H](C(=O)N([C@@H]2c3ccc(cc3)Cl)CC4CC4)CC(=O)O	13Q	[(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid
+CCCCC[C@H](\C=C\C=C/CCCCCCCC(=O)O)OO	13R	13(r)-hydroperoxy-9(z),11(e)-octadecadienoic acid
+CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)OO	13S	13(s)-hydroperoxy-9(z),11(e)-octadecadienoic acid
+C\C=C/[C@H](C)[C@@H]1[C@@](O1)(C)[C@H]([C@H]2COC(=O)[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H](/C(=C/[C@@H](C(=O)CC[C@H](C2=O)C)C)/C)O)C)C)OC)O)O	13T	13-deoxytedanolide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCCC3)\N	13U	n-cyclooctylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3c(cnc(n3)N)OCCOC)O	13V	4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1h-indol-5-yl}-2-methylbut-3-yn-2-ol
+[H]/N=C/1\N[C@](CC(=O)N1C)(C)c2cc(cs2)c3cccc(c3)C#N	13W	3-{5-[(2e,4s)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile
+c1c(cc(cc1O)O)O	13X	benzene-1,3,5-triol
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3)Oc4cccc(c4)Cl)C(=O)O	13Y	2-(3-chlorophenoxy)-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
+CC(C)(C)c1nnc(o1)[C@@H]([C@@H]2C[C@@H](CN2C(=O)CNC(C)(C)CO)F)O	13Z	2-[(2-{(2s,4s)-2-[(r)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol
+CCCCCCCCCCCCCCCC(=O)NCC(=O)O	140	n-palmitoylglycine
+C1=C2C(=NC(=O)NC2=O)NN1	141	oxypurinol
+C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN	142	carbidopa
+C1=C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	143	s-2,3-dihydro-5-glycin-2-yl-isoxazol-3-yl-cysteine
+C[N+](CO)(CO)CO	144	tris-hydroxymethyl-methyl-ammonium
+c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	145	2-nitrophenyl beta-d-galactopyranoside
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4[nH]c5ccccc5n4)Cc6cccc(c6)C(=O)Nc7[nH]c8ccccc8n7)Cc9ccccc9)O)O	146	[4r-(4alpha,5alpha,6alpha,7alpha)]-3,3'-{{tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]bis(methylene)]bis[n-1h-benzimidazol-2-ylbenzamide]
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	147	4-nitrophenyl beta-d-galactopyranoside
+C(CO)N(CCO)C(CO)(CO)CO	148	2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
+C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O	149	d-galactonolactone
+C=CCN(C1CCCC1)C(=O)c2cc(cc(c2)Cl)OCCCONC(=N)N	14A	n-allyl-5-amidinoaminooxy-propyloxy-3-chloro-n-cyclopentylbenzamide
+Cc1cc(c(c(c1)C(=O)O)N)C	14B	2-amino-3,5-dimethylbenzoic acid
+Cc1cccc2c1C(=O)N(C2=O)c3ccnc(c3)Cl	14C	2-(2-chloropyridin-4-yl)-4-methyl-1h-isoindole-1,3(2h)-dione
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3cccc(c3)Oc4cccc(c4)C(F)(F)F	14D	5-methyl-1-[(3s)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)O	14E	(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoic acid
+COc1cc(c(cc1OC)N)C(=O)O	14F	2-amino-4,5-dimethoxybenzoic acid
+CCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO	14H	n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
+c1cc2c(cc(o2)C(=O)O)c3c1ccc4c3cc(o4)C(=O)O	14I	naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid
+c1cc(oc1C(=O)O)Br	14J	5-bromofuran-2-carboxylic acid
+Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)OC)F)[C@@H](C)N4CCN(CC4)S(=O)(=O)C	14K	4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1r)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
+c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@@H]([C@H]([C@H](C6)O)O)O	14L	(11s,12s,13s)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol
+CCCSc1c(ccc(n1)N2CCC[C@H](C2)CC(=O)O)C(=O)NC3CCCCC3	14M	{(3s)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid
+CN1CCN(CC1)c2ccc(cc2)C(=O)O	14N	4-(4-methylpiperazin-1-yl)benzoic acid
+c1cc2c(cc[nH]2)cc1F	14O	5-fluoro-1h-indole
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc4c(c3)OCO4	14Q	5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine
+CCc1nc2c(n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C(=O)N(C=C2)Cc7ccccc7	14R	5-benzyl-2-ethyl-3-{(1s)-5-[2-(1h-tetrazol-5-yl)phenyl]-2,3-dihydro-1h-inden-1-yl}-3,5-dihydro-4h-imidazo[4,5-c]pyridin-4-one
+COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	14S	4-(cyclopentylamino)-2-[(2-methoxybenzyl)amino]-n-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
+c1cc(c(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C(F)F)F)F	14T	3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-d-glucopyranoside
+CCCCCCCCCCCCCCCC(=O)C(C)C(=O)O	14U	(2s)-2-methyl-3-oxooctadecanoic acid
+CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O	14V	3,5-dioxoicosanoic acid
+[H]/N=C(/C)\NCc1cccc(c1)CN	14W	n-(3-(aminomethyl)benzyl)acetamidine
+CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3	14X	3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1h)-one
+CCCCCCCC\C=C\CCCCCCCC(=O)OC	14Y	methyl(e)-octadec-9-enoate
+CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)N2)C	14Z	n-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
+Cc1cc(c(cc1C)N)N	150	4,5-dimethyl-1,2-phenylenediamine
+CC(C)[C@@H]([C@H]1[C@@H](CCN1C(=O)c2coc(n2)CN3CCCC3)NS(=O)(=O)C)C(=O)O	151	(2s)-3-methyl-2-((2r,3s)-3-[(methylsulfonyl)amino]-1-{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}pyrrolidin-2-yl)butanoic acid
+C[N+](C)(C)C[C@@H](CC(=O)O)O	152	carnitine
+c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(cc3Cl)Cl	153	(2s)-2-[(2,4-dichloro-benzoyl)-(3-trifluoromethyl-benzyl)-amino]-3-phenyl-propionic acid
+c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2ccc(s2)c3cc4ccccc4o3)C(=O)c5ccc(cc5Cl)Cl	154	(2s)-2-[(5-benzofuran-2-yl-thiophen-2-ylmethyl)-(2,4-dichloro-benzoyl)-amino]-3-phenyl-propionic acid
+CC(C)C1=NCCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N	155	6-[(z)-amino(imino)methyl]-n-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)-2-naphthamide
+CC1(CCC(c2c1ccc(c2)C(=O)\C=C\c3ccc(cc3)C(=O)O)(C)C)C	156	4-[3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid
+C1C[C@@H]([C@H](C1)O)[C@@H](CCCCC(=N)N)C=O	157	6-(2-hydroxy-cyclopentyl)-7-oxo-heptanamidine
+CC(=O)[C@H](CC(=O)O)NC(=O)CS	158	3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid
+c1cc(c(cc1S(=O)(=O)NCCS)C(=O)O)O	159	2-hydroxy-5-(2-mercapto-ethylsulfamoyl)-benzoic acid
+C(C/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)N	15A	(2z,3r,4s,5r,6r)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol
+c1c(cc(cc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN	15B	n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamide
+Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=O)C	15C	2-(4-acetylphenyl)-4-methyl-1h-isoindole-1,3(2h)-dione
+CN1Cc2cc(ccc2NC1=O)Br	15E	6-bromo-3-methyl-3,4-dihydroquinazolin-2(1h)-one
+[H]/N=C(/C(Cl)(Cl)Cl)\OCc1cc[n+](cc1)Cc2ccccc2	15F	1-benzyl-4-({[(1e)-2,2,2-trichloroethanimidoyl]oxy}methyl)pyridinium
+COc1cnc(cc1c2cc3c([nH]2)CCNC3=O)COc4ccc(c(c4)F)F	15G	2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+C[C@@H](C1CCN(CC1)c2c(nccn2)Oc3ccc(cc3)Nc4nc5ccccc5s4)O	15H	(1s)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol
+c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	15I	6-(2,9-diazaspiro[5.5]undecan-9-yl)-9h-purine
+c1ccc2c(c1)[nH]c(n2)Nc3ccc(cc3)Oc4cccnc4N5CCC(CC5)CO	15J	(1-{3-[4-(1h-benzimidazol-2-ylamino)phenoxy]pyridin-2-yl}piperidin-4-yl)methanol
+[C@@H]1([C@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O	15L	d-galactaro-1,5-lactone
+CCNC(=O)CCC\C=C/C[C@H]1[C@H](C[C@H]([C@@H]1\C=C\[C@H](CCc2ccccc2)O)O)O	15M	(5z)-7-{(1r,2r,3r,5s)-3,5-dihydroxy-2-[(1e,3s)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl}-n-ethylhept-5-enamide
+c1ccc2c(c1)OC[C@@H](O2)C(=O)O	15N	(2r)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
+c1ccc2c(c1)cccc2Cl	15O	1-chloronaphthalene
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	15P	polyethylene glycol (n=34)
+c1cc(c(cc1c2ccc(c(c2Cl)/C=N/O)O)F)O	15Q	2-chloro-3'-fluoro-3-[(e)-(hydroxyimino)methyl]biphenyl-4,4'-diol
+c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCC(CC4)C(=O)N5CCc6cccc7c6[C@@H]5CNC7=O)F	15R	(9ar)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7h-benzo[de][1,7]naphthyridin-7-one
+C[C@@H](C(=O)N1CCC(=CC1)c2ccc(cc2)F)NC(=O)CN3CCc4cccc5c4[C@@H]3CNC5=O	15S	n-{(2s)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2h)-yl]-1-oxopropan-2-yl}-2-[(9ar)-7-oxo-2,3,7,8,9,9a-hexahydro-1h-benzo[de][1,7]naphthyridin-1-yl]acetamide
+C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CCC#N)cc[nH]3)O	15T	3-(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)propanenitrile
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CC[C@H](C[C@@H]1C(=O)O)C)NS(=O)(=O)c2cccc3c2NC[C@H](C3)C	15U	(2r,4r)-4-methyl-1-(n~2~-{[(3s)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-l-arginyl)piperidine-2-carboxylic acid
+Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4	15V	n-[1-(3-chlorophenyl)-3-methyl-1h-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+COc1ccc(cc1)C2=CC(=O)c3ccc(cc3O2)O	15W	7-hydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one
+COc1ccc(c(c1c2cccc(c2)N(=O)=O)F)Cc3ccc(cc3)NC(=O)N	15X	1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea
+C[C@H]1Cc2cccc(c2NC1)S(=O)(=O)O	15Y	(3s)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonic acid
+c1cc(c(cc1C2=CC(=O)c3ccc(cc3O2)O)O)O	15Z	2-(3,4-dihydroxyphenyl)-7-hydroxy-4h-chromen-4-one
+CC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1cccc(c1)CSSCCNC(=O)c2ccc(s2)S(=O)(=O)C	160	3-(3-{2-[(5-methanesulfonyl-thiophene-2-carbonyl)-amino]-ethyldisulfanylmethyl}- benzenesulfonylamino)-4-oxo-pentanoic acid
+CC(=O)[C@H](CC(=O)O)NC(=O)c1ccc(cc1)CNS(=O)(=O)c2ccc(c(c2)C(=O)O)O	161	5-[4-(1-carboxymethyl-2-oxo-propylcarbamoyl)-benzylsulfamoyl]-2-hydroxy-benzoic acid
+Cn1cc(cc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O	162	(2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-3-ylmethyl)-carbamoyl]-pyrrol-1-yl} -1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid
+Cn1c(ccc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O	163	(2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-2-ylmethyl)-carbamoyl]-pyrrol-1-yl}- 1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid
+C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)O)C(=O)O)O	164	2-(3-carboxypropionyl)-6-hydroxy-cyclohexa-2,4-diene carboxylic acid
+c1ccc(cc1)CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)Nc4ccc5c(c4)sc(n5)N	165	n-(benzylsulfonyl)-3-cyclohexylalanyl-n-(2-amino-1,3-benzothiazol-6-yl)prolinamide
+c1cc(ccc1c2ccc3c(c2)[C@@H]([C@H](C3)O)[C@@H](CCCCC(=N)N)C(=O)O)O	166	6-carbamimidoyl-2-[2-hydroxy-6-(4-hydroxy-phenyl)-indan-1-yl]-hexanoic acid
+COc1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O	167	6-carbamimidoyl-2-[2-hydroxy-5-(3-methoxy-phenyl)-indan-1-yl]-hexanoic acid
+CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COC(=O)C(C)(C)C)O	168	pantothenyl-aminoethanol-acetate pivalic acid
+CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N[C@@H]([C@@H](CCCNC(=N)N)C=O)C(=O)O	169	1-(4-tert-butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid
+CCCCCCCCCCCCCCCC[N+](C)(C)C	16A	cetyl-trimethyl-ammonium
+C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	16B	n-hydroxycytidine 5'-(dihydrogen phosphate)
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O	16C	n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)palmitamide
+C(CCCN)CCN	16D	hexane-1,6-diamine
+C(CCCCCCCC(=O)O)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	16E	n-(16-carboxyhexadecanoyl)-l-glutamic acid
+c1cc(cc(c1)O)/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	16F	n-({(2z)-2-[(3-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O	16G	2-acetamido-2-deoxy-6-o-phosphono-alpha-d-glucopyranose
+CCCCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO	16H	n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)NC(=O)c4cccs4	16I	n-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide
+c1cc(ccc1N2CCN(CC2)C(=O)N3CCOCC3)Cl	16J	[4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-]	16K	4-(2,4-dimethyl-1,3-thiazol-5-yl)-n-(3-nitrophenyl)pyrimidin-2-amine
+Cc1cc(cc(c1O)C)/C=C/c2cccc(c2)NC(=O)C=C	16L	n-{3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide
+CCSc1ccccc1	16M	(ethylsulfanyl)benzene
+c1ccc2c(c1)CCC2	16N	2,3-dihydro-1h-indene
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br	16O	n-({(2e)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+CCOCCOCCOCCOCCOCCOCC	16P	3,6,9,12,15,18-hexaoxaicosane
+CCOc1ccccc1	16Q	ethoxybenzene
+CSc1ccccc1	16R	(methylsulfanyl)benzene
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(c(c3)O)O	16S	2-(3,4-dihydroxyphenyl)-4h-chromen-4-one
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)S(=O)(=O)c3ccc(c(c3)Oc4cccc(c4)Cl)O	16T	1-[(3s)-1-{[3-(3-chlorophenoxy)-4-hydroxyphenyl]sulfonyl}piperidin-3-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl	16U	n-(3-chlorobenzyl)-1-(4-methylpentanoyl)-l-prolinamide
+Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O	16V	3-[3-(3,5-dimethyl-1h-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid
+c1cc(cc(c1)Cl)OCc2c3c(ncnc3n(n2)C4CCOCC4)N	16W	3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)n4oo4	16X	4-(2-amino-4-methyl-1,3-thiazol-5-yl)-n-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine
+C(CCCCCCCC(=O)O)CCCCCCCO	16Y	16-hydroxyhexadecanoic acid
+C[C@H]1[C@H]([C@H]([C@@H](N1C)c2ccc(cc2)OC)O)O	16Z	(2s,3s,4r,5s)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol
+c1cc[n+](c(c1)C(CNC2=NC=C(N(C2=O)CC(=O)NCc3cc(ccc3n4cnnn4)Cl)Cl)(F)F)[O-]	170	(2-[6-chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-2-oxopyrazin-1(2h)-yl]-n-[5-chloro-2-(1h-tetrazol-1-yl)benzyl]acetamide
+c1ccc(cc1)NCCS(=O)(=O)O	171	2-phenylamino-ethanesulfonic acid
+c1cc2c(cc1O)nc([nH]2)N	172	2-amino-5-hydroxy-benzimidazole
+c1ccc(cc1)C(=O)C(=O)O	173	benzoyl-formic acid
+c1cc(ccc1C(=O)O)Cl	174	4-chloro-benzoic acid
+C[C@@H](C1NC(C(=O)N1CC(=O)O)CN)N	175	3,5-dihydro-5-methylidene-4h-imidazol-4-on
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4Cl)Cl)N	176	1-(2-amino-3,3-diphenyl-propionyl)-pyrrolidine-3-carboxylic acid 2,5-dichloro-benzylamide
+CCNC(=O)COc1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C3CCCCC3)N)Cl	177	1-[2-amino-2-cyclohexyl-acetyl]-pyrrolidine-3-carboxylic acid 5-chloro-2-(2-ethylcarbamoyl-ethoxy)-benzylamide
+CC(C)c1cc(ccc1O)Sc2ccc(c(c2)C(C)C)O	178	4-(4-hydroxy-3-isopropylphenylthio)-2-isopropylphenol
+c1ccc2cc(ccc2c1)NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	179	n-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-d-glucopyranosylamine
+CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O	17A	(2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-{(1r)-1-[(biphenyl-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid
+C(CC/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)CN	17B	(2z,3r,4s,5r,6r)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol
+c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O	17C	2,2'-iminodibenzoic acid
+c1ccc(cc1)Cc2ccccc2C(=O)O	17D	2-benzylbenzoic acid
+CC1=CNC(=O)N=C1N	17E	5-methylcytosine
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC	17F	o-[(s)-({(2r)-2,3-bis[(9z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-l-serine
+c1cc(cc(c1)N2c3c4cc(ccc4ncc3C=CC2=O)c5ccc(nc5)N)C(F)(F)F	17G	9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1h)-one
+CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O	17H	17-hydroxy-18a-homo-19-nor-17alpha-pregna-4,9,11-trien-3-one
+[H]/N=C(\NC)/NC(=O)Nc1c(cccc1CC)CC	17I	n-(2,6-diethylphenyl)-n'-(n-methylcarbamimidoyl)urea
+c1ccc(cc1)c2nc(sn2)N3CCN(CC3)C(=O)Nc4cccnc4	17J	4-(3-phenyl-1,2,4-thiadiazol-5-yl)-n-(pyridin-3-yl)piperazine-1-carboxamide
+C[C@](COC(=O)Cc1ccccc1)([C@H](C(=O)O)Nc2c(cc3n2cccc3)C=O)S(=O)O	17K	(3r)-n-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-d-valine
+CCOc1cc2ccccc2c(c1)CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC	17L	(9as)-8-acetyl-n-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
+C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@]2(C)O)O	17M	17-methyl-17-alpha-dihydroequilenin
+COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)C(=O)O	17N	8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid
+c1c2n(nc1C3C(=CNC(=CS3)C(=O)O)C=O)CSC2	17O	(7r)-6-formyl-7-(4h-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid
+Cn1cc(cn1)c2ccc3c(c2)[nH]c4c3c(ncc4C(=O)N)NC5CCCCC5	17P	1-(cyclohexylamino)-7-(1-methyl-1h-pyrazol-4-yl)-5h-pyrido[4,3-b]indole-4-carboxamide
+CN(C)CCCCCOC1CCCCCCCCCCC1	17Q	1.7.6 5-cyclododecyloxy-n,n-dimethyl-pentan-1-amine
+C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2cccc(c2)n3cncn3)c4ccc(cc4C(F)(F)F)F	17R	(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1h-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine
+COc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	17S	n-({(2e)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl	17T	n-({(2e)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+CC(C)C[C@@H]([C@H](C(=C)C)O)N	17U	(3s,4s)-4-amino-2,6-dimethylhept-1-en-3-ol
+CC(C)n1c(ncn1)c2cc3c(s2)-c4ccc(cc4OCC3)C(=O)N	17V	2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide
+c1ccc(cc1)OCCSc2[nH]c3ccccc3n2	17W	2-[(2-phenoxyethyl)sulfanyl]-1h-benzimidazole
+c1ccc(cc1)Cn2c3ccccc3nc2N4CCC(CC4)C(=O)OC[C@H](C5CCNCC5)n6c7ccccc7nc6c8ccccc8	17X	(2s)-2-(2-phenyl-1h-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1h-benzimidazol-2-yl)piperidine-4-carboxylate
+C1C[C@H]([C@H](C1)O)O	17Y	(1r,2s)-cyclopentane-1,2-diol
+Cc1cc(c2ccccc2c1O)O	17Z	2-methylnaphthalene-1,4-diol
+c1cc(cnc1)S(=O)(=O)N[C@H](CNC(=O)c2cc3cc(sc3s2)CCC4CCNCC4)C(=O)O	180	2-(s)-[n-(3-pyridylsulfonyl)amino]-3-[[2-carbonyl-5-[2-(piperidin-4-yl)ethyl]-thieno[2,3-b]thiopheneyl]amino]-propionic acid
+c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO	181	1-((2-hydroxyethoxy)methyl)-5-(phenylthio)pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO	182	1-((2-hydroxyethoxy)methyl)-5-(phenylselanyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO	183	1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)pyrimidine-2,4(1h,3h)-dione
+CC1(CCC(c2c1ccc(c2)[C@H](c3ccc4cc(ccc4c3)C(=O)O)O)(C)C)C	184	6-[hydroxy-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic acid
+Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)CO)Br)C)C#N	185	(6-[4-(aminomethyl)-2,6-dimethylphenoxy]-2-{[4-(aminomethyl)phenyl]amino}-5-bromopyrimidin-4-yl)methanol
+C[C@@H](\C=C\C(=O)C=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2	186	[1-(1-methyl-4,5-dioxo-pent-2-enylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
+c1ccc2c(c1)ncn2c3ccc(c(c3)F)NC(=O)c4cc(nn4c5cccc(c5)C(=N)N)C(F)(F)F	187	1-{3-[amino(imino)methyl]phenyl}-n-[4-(1h-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
+C[N@@]12[C@H]3CS[C@@H]1[C@H]4CSC5=[N]4[Fe]2(Oc6c5cccc6)OC3=O	188	pyochelin fe(iii)
+Cc1cccc(c1OCC(=O)N(Cc2ccccc2)C[C@H]3CNC[C@@H]3C[N@@](CC(C)C)S(=O)(=O)c4ccccc4)C	189	n-benzyl-2-(2,6-dimethylphenoxy)-n-[((3r,4s)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide
+CCC(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C	18A	n-{4-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide
+CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C	18B	3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O	18C	n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)stearamide
+CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	18D	3,5-dideoxy-5-(propanoylamino)-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+Cc1cnc(c2c1[nH]c3c2ccc4c3ccc(c4)O)Cl	18E	7-chloro-10-methyl-11h-benzo[g]pyrido[4,3-b]indol-3-ol
+c1ccc(cc1)Cn2c3ccccc3nc2c4ccccc4	18F	1-benzyl-2-phenyl-1h-benzimidazole
+Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(c(cc2OC)c3ccccc3)OC	18G	5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2ccc(cc2OC)c3ccccc3	18H	5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F	18I	3,3'-difluoro-n-[(2s)-3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide
+CCS(=O)(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C	18J	n-{4-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide
+Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N(C)C	18K	n'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n,n-dimethylbenzene-1,4-diamine
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	18L	(2r)-2-hydroxy-3-(phosphonooxy)propyl (9z,12z)-octadeca-9,12-dienoate
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)COP(=O)(O)O)OP(=O)(O)O	18M	2'-o-methylguanosine 3',5'-bis(dihydrogen phosphate)
+c1cc2cccc3c2c(c1)C(=O)NC3=O	18N	1h-benzo[de]isoquinoline-1,3(2h)-dione
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]	18O	n-({(2e)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+C[C@]1(C(=O)N(CC(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)Cl	18P	n-{3-[(2r)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide
+c1cc(sc1)CNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	18Q	2'-deoxy-5-[(thiophen-2-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
+CC(C)(C)c1cccc(c1)NC(=O)c2cccc(c2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N	18R	3-{1-[(3r)-1-acryloylpiperidin-3-yl]-4-amino-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-(3-tert-butylphenyl)benzamide
+Cc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	18S	n-({(2e)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O	18T	[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl (2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+c1cc(ccc1CNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O	18U	3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid
+CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N	18V	2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
+Cc1c(c(c([nH]1)/C=C\2/C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	18W	3-[(5z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]propanoic acid
+COC(=O)/C(=C\1/N(C(=O)CS1)c2ccc(cc2F)c3ccccc3)/C#N	18X	methyl (2z)-cyano[3-(3-fluorobiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
+Cc1cc2c(c(c3c(c2OC)CCCC3=O)O)c4c1[C@H]5[C@H]6[C@@](O4)([C@]([C@@](O5)(O6)C(OC)OC)(C)O)O[C@H]7C[C@H]([C@]([C@@H](O7)C)(C(=O)C)O)O	18Y	trioxacarcin a analogue, bound form
+c1c(c(cc(c1[N+](=O)[O-])NCCN2CCNCC2)NCc3cnc(nc3)N)C(=O)N	18Z	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2cccc(c2)Br)[C@@H](C[C@H](CC(C)C)S(=O)(=O)c3ccc(cc3)F)O)C	190	n-{(1s)-1-(3-bromobenzyl)-4-[(4-bromophenyl)sulfonyl]-6-methyl-2-oxoheptyl}-2-(2,6-dimethylphenoxy)acetamide
+CCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]2cnc-3c([nH]cnc23)N)O)OP(=O)(O)O)O	191	propionyl coenzyme a
+C1CC(C1)(C(=O)O)N	192	1-aminocyclobutanecarboxlic acid
+C(CNC(=O)CCN)[C@@H](C(=O)O)N	193	(2s)-4-(beta-alanylamino)-2-aminobutanoic acid
+c1ccc(c(c1)NC(=O)c2cccc(c2)[N+](=O)[O-])Oc3ccc(c(c3)C(=O)O)C(=O)O	194	4-{2-[(3-nitrobenzoyl)amino]phenoxy}phthalic acid
+c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc(c(c2)NC(=O)c3cccc(c3)[N+](=O)[O-])Oc4ccc(c(c4)C(=O)O)C(=O)O	195	4-{2,4-bis[(3-nitrobenzoyl)amino]phenoxy}phthalic acid
+c1cc(cc2c1cc(cc2C#N)c3ccc(c(c3)F)O)O	196	3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile
+CC(=O)N[C@@H](Cc1ccc(c(c1)C=O)C(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	197	4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-formyl-benzoic acid
+C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O	198	r-bicalutamide
+CN1CCN(CC1)c2ccc(cc2)c3cc4c(c[nH]c4nc3)NC(=O)c5cccnc5	199	n-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide
+CN(C)C(=O)c1cc(c[nH]1)c2c(c[nH]n2)c3ccccc3	19A	n,n-dimethyl-4-(4-phenyl-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide
+Cc1ccc(cc1c2ccc3c(c2)onc3C4CCNCC4)C(=O)Nc5cccc(c5)N6CCOCC6	19B	4-methyl-n-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide
+c1cc(c(cc1CN2Cc3ccc(c(c3C2=O)O)O)Cl)F	19C	2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)F)O	19D	(1r,2r,3r,4r,5r,7r)-2-(acetylamino)-7-[(1r)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
+Cc1cnc(c2c1[nH]c3c2c4ccc(cc4cc3)O)Cl	19E	11-chloro-8-methyl-7h-benzo[e]pyrido[4,3-b]indol-3-ol
+Cc1c2n(c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC	19F	2-(3,4-dimethoxybenzyl)-7-[(2r,3r)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3h)-one
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O	19G	3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(cc3[nH]c2C(=O)O)Cl	19H	6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1h-indole-2-carboxylic acid
+c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)NCC(=O)NCC(=O)O	19J	2-[2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)[N+](=O)[O-])N(C)C	19K	n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n~1~,n~1~-dimethyl-2-nitrobenzene-1,4-diamine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)c3cnc4c(n3)NC(=NC4=O)N	19L	(2s)-2-[[(2s)-2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]-3-oxidanyl-propanoyl]amino]-3-(1h-indol-3-yl)propanoic acid
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)CNC(=O)c3cnc4c(n3)NC(=NC4=O)N	19M	(2s)-2-[[(2s)-2-[2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
+[H]/N=C(\N)/NCCCC[C@H](N)P(=O)(O)O	19N	[(1r)-1-amino-5-carbamimidamidopentyl]phosphonic acid
+	19O	natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-octahydro-5,22:7,20:9,18:11,16-tetramethanononacen-8,19-bisphosphate
+Cc1ccc(cn1)c2ccc3c(n2)c4c(cn3)N(C(=O)N4C5CCN(CC5)C(=O)[C@H](C)O)C	19P	1-{1-[(2s)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2h-imidazo[4,5-c][1,5]naphthyridin-2-one
+C[C@@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	19Q	2-cyclopropyl-n-[(2s)-3-hydroxy-3-methylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+C[C@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	19R	2-cyclopropyl-n-[(2r)-3-hydroxy-3-methylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+C[C@H](C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	19S	2-cyclopropyl-n-[(2r)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CCc1c(nc(nc1Nc2ccc(cc2)CC(=O)O)c3ccc(s3)Cl)C	19T	(4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid
+CC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N	19U	1-[(2r)-2-aminobutanoyl]-n-(3-chlorobenzyl)-l-prolinamide
+CC(C)(C)N1CCN(CC1)c2ccc(nc2)N3CCN(c4c3cccc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)C(=O)N	19V	4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-n-[(1r,2s,3s,5s,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2h)-carboxamide
+C(C[C@@H](C(=O)O)N)CON	19W	5-(aminooxy)-l-norvaline
+CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4ccc5c(c4)C(=O)N=C5)Cl	19X	6-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1h-isoindol-1-one
+CCc1c(c2c([nH]1)nc(nc2OC)Sc3cccnc3)C=O	19Y	6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
+c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])O	19Z	2-[(4-hydroxybenzyl)amino]-5-nitrobenzamide
+CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nccn5)nc4)Cl	1A0	(3r)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
+c1cc(cnc1)c2nc3c(nc(nc3s2)NC(=O)C4CC4)n5ccnc5	1A1	n-[7-(1h-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide
+CCN1c2c(ccc(c2C(=NC13CCN(CC3)C(=O)C4=CN=C(CC4)C#N)N)F)F	1A2	5-(4'-amino-1'-ethyl-5',8'-difluoro-1'h-spiro[piperidine-4,2'-quinazoline]-1-ylcarbonyl)picolinonitrile
+c1ccc(cc1)CS(=O)(=O)Nc2cccc(c2)C3=CSC(=O)N3	1A3	n-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide
+c1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3	1A4	n-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
+c1cc(ccc1C(=O)N)N2CCOC2=O	1A5	4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
+Cc1cc(on1)CSc2nnc3n2cccc3	1A6	3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine
+c1ccc(c(c1)C2=CSC(=O)N2)F	1A7	4-(2-fluorophenyl)-1,3-thiazol-2(3h)-one
+CCCC(=O)Nc1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3	1A8	n-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide
+c1cc(sc1)S(=O)(=O)Nc2cc(cc(c2)NC(=O)CCC3CCCCC3)C4=CSC(=O)N4	1A9	3-cyclohexyl-n-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide
+c1ccc(c(c1)C(=O)OCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N	1AA	5'-o-[({[(2-{[(2-aminophenyl)carbonyl]oxy}ethyl)oxy]phosphinato}oxy)phosphinato]cytidine
+C1[C@H]([C@@H]([C@H](N1)CO)O)O	1AB	1,4-dideoxy-1,4-imino-d-arabinitol
+C1CC1(C(=O)O)N	1AC	1-aminocyclopropanecarboxylic acid
+CC#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN	1AD	(1s)-2-[(2s,5r)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
+CCCC(=O)/C(=C/OP(=O)(O)O)/O	1AE	(1z)-2-hydroxy-3-oxohex-1-en-1-yl dihydrogen phosphate
+c1cc(ccc1c2cc(oc2)c3ccc(cc3)C(N)NC4CCCC4)C(N)NC5CCCC5	1AF	2,4-bis{[4-(n-cyclopentyldiaminomethyl)phenyl]}furan
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)O	1AG	(2s)-2,3-dihydroxypropyl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)Br)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	1AH	3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one
+Cc1ccccc1CNc2c(nccn2)C(=O)NCc3ccccc3C	1AI	~{n}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
+c1csc2c1CN(CC2)C(=O)n3ccnc3	1AJ	6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl(1h-imidazol-1-yl)methanone
+CS(=O)(=O)c1ccc(nc1)c2nnc(n2c3ccccc3Cl)/C=C/c4nnc(o4)c5ccc(cc5)C#N	1AK	4-{5-[(e)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4h-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile
+C(C(=O)[O-])(NC(=O)N)NC(=O)N	1AL	allantoate ion
+COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5	1AM	2-(6-methoxy-1-oxo-1,3-dihydro-2h-isoindol-2-yl)-n-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
+c1ccc(c(c1)N)F	1AN	2-fluoroaniline
+c1ccc2c(c1)cnn2c3nc(cs3)C(=O)Nc4ccccc4N5CCNCC5	1AO	2-(1h-indazol-1-yl)-n-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
+c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)N	1AP	2,6-diaminopurine nucleotide
+CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]3CCOc4c3cccc4)C(=O)[C@H](C5CCC(CC5)(F)F)NC(=O)[C@H](C)NC	1AQ	(3s,7r,8ar)-2-{(2s)-2-(4,4-difluorocyclohexyl)-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide
+C[C@H]1[C@@H]([C@@](C[C@H](O1)O)(C)O)OC(=O)C	1AR	4-o-acetyl-2,6-dideoxy-3-c-methyl-alpha-l-arabino-hexopyranose
+CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OC/C=C/C(=O)O)C=CC(O5)(C)C)C	1AS	(~{e})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O	1AT	beta-d-fructofuranosyl 6-o-decanoyl-alpha-d-glucopyranoside
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc4c3cccc4	1AU	1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-naphthalen-1-ylurea
+c1cc(cnc1)c2nc3c(nc(nc3s2)N)n4ccnc4	1AV	7-(1h-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccccc3	1AW	1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-phenylurea
+C([C@H](COC[C@@H](CO)O)O)O	1AX	(2r,2'r)-3,3'-oxydipropane-1,2-diol
+Cc1c(c(nc(n1)c2ccc(cn2)Cl)NC[C@@H](c3ccccc3)NCCCCc4ccccc4)Cl	1AY	(1r)-n~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-n~1~-(4-phenylbutyl)ethane-1,2-diamine
+Cn1c2c(nc1N3CCOCC3)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C	1AZ	1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1h-purine-2,6-dione
+Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c4ccccc4	1B0	n-methyl-nalpha-[(2-methyl-1h-indol-3-yl)acetyl]-n-phenyl-l-phenylalaninamide
+CC#Cc1cc(cnc1)c2cccc(c2)[C@@]3(N=C(C(=N3)N)C)C4CC4	1B1	(2r)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2h-imidazol-4-amine
+C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)c[nH]n3)N)O	1B2	n-{[3-(2h-indazol-5-yl)phenyl]sulfonyl}-l-threoninamide
+C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)nc(nc3N)Cl)N)O	1B3	n-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide
+CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3cc(c(c(c3)OC)OC)OC	1B4	n-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4ccc(cc4n(n3)C)Cl	1B5	2-(6-chloro-1-methyl-1h-indazol-3-yl)-n-(propan-2-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CC(C)(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4n(cn3)CCCC4	1B6	n-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CCCc1cscc1C[C@@H](C(=O)O)NC2=NC(Cc3c2ccc(c3)Cl)(C)C	1B7	n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-l-alanine
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3c(csc3Br)c4c[nH]nc4)C(=O)O)Cl)C	1B8	3-[2-bromo-4-(1h-pyrazol-4-yl)thiophen-3-yl]-n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-alanine
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3Br)C(=O)O)Cl)C	1B9	3-(4-bromothiophen-3-yl)-n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-alanine
+CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O	1BA	4-hydroxy-n'-(4-isopropylbenzyl)benzohydrazide
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)C(=CN4)C#N)Cl)C	1BB	2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
+CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C3=NC(=O)CC=N3)/N=C\4/c5ccc(cc5CC(N4)(C)C)Cl	1BC	2-{(1s)-1-{[(1z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]amino}-2-[2-propyl-4-(1h-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5h)-one
+c1ccc(c(c1)\C=N\OCCC(=O)O)C(F)(F)F	1BD	3-[({(1e)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid
+CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C(=O)O)NC3=NC(Cc4c3ccc(c4)Cl)(C)C	1BE	n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1h-pyrazol-4-yl)thiophen-3-yl]-l-alanine
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3c4c[nH]nc4)C(=O)O)Cl)C	1BF	n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1h-pyrazol-4-yl)thiophen-3-yl]-l-alanine
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCCc5c4cccc5)NC	1BG	(3s,8ar)-2-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
+C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)OCc3ccccc3)O	1BH	n-benzyloxycarbonyl-ala-pro-3-amino-4-phenyl-butan-2-ol
+c1ccc(cc1)S(=O)(=O)NC(=O)c2ccc3c(c2)n(c(c3C4CCCCC4)c5ccoc5)CC(=O)N6CCOCC6	1BI	3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-n-(phenylsulfonyl)-1h-indole-6-carboxamide
+c1ccc2c(c1)cnn2c3ccnc(n3)NC4CCC(CC4)O	1BJ	trans-4-{[4-(1h-indazol-1-yl)pyrimidin-2-yl]amino}cyclohexanol
+CS(=O)(=O)CCCOc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O	1BK	trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1h-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
+CC(C)(C)c1cccc(c1)C2(CCCCC2)NC[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)CC[C@H](C(=O)O)O)O	1BL	(2r)-5-{[(2s,3r)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid
+CCN(CC)CCNc1cc(nc(n1)n2cnc3c2cccc3)Nc4cc(ccc4C)O	1BM	3-{[2-(1h-benzimidazol-1-yl)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-yl]amino}-4-methylphenol
+c1ccc(cc1)Cn2ccnc2	1BN	1-benzyl-1h-imidazole
+CCCCO	1BO	1-butanol
+C[C@H](CBr)O	1BP	1-bromopropane-2-ol
+CN1c2ccc(cc2-c3c(cn[nH]3)S1(=O)=O)c4ccc(cc4)C(=O)N5CCC(CC5)CCO	1BQ	[4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone
+CC(C)(C)c1ccc(cc1)CNc2ccc3c(c2)-c4c(cnn4C)S(=O)(=O)N3C	1BR	n-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)c5cnccc5N4)Cl)C	1BS	2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1h)-one
+Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc5c(c4)ncs5)nc[nH]3)C)/C=C/C#N	1BT	(2e)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9h-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile
+Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)N	1BU	1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea
+Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CC/C=C/C/C=C/[C@@H](C(=O)N4C3)NC(=O)c6ccn(n6)C)C(=O)NS(=O)(=O)C7(CC7)C)OC(C)C)OC	1BV	(2r,6s,7e,10e,13ar,14ar,16as)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-n-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1h-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5h)-carboxamide
+CCCC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO	1BW	n-[(3s,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide
+CC1=CC(=O)N(C(=C1)Cc2ccc(cc2)O)O	1BX	1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1h)-one
+c1ccnc(c1)NCC(P(=O)(O)O)P(=O)(O)O	1BY	[2-(pyridin-2-ylamino)ethane-1,1-diyl]bis(phosphonic acid)
+CC1=CC(=O)N(C(=C1)Cc2ccccc2)O	1BZ	6-benzyl-1-hydroxy-4-methylpyridin-2(1h)-one
+B1(c2c(cc(cc2F)CN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O	1C0	5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide
+c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=[NH2+])N	1C1	amino({[(1r,2r)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1h-inden-2-yl]methyl}amino)methanimi nium
+CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@H]1C(=O)NC)NS(=O)(=O)O	1C2	3(s)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester
+COc1cc(cc(c1OC)OC)CN2CCC[C@H]2C(=O)O	1C3	1-(3,4,5-trimethoxybenzyl)-l-proline
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)N[C@@H](CCC(=O)O)C(=O)O)O	1C4	(2s)-2-({(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name)
+CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCC2CCCCC2)C(=O)N	1C5	[[o-phosphono-n-acetyl-tyrosinyl]-glutamyl-3[cyclohexylmethyl]alaninyl]-amine
+Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC	1C6	6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1h-benzimidazole
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C	1C7	(7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1h-imidazol-1-yl)-7,8-dihydropteridin-6(5h)-one
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5cscn5)C	1C8	(7r)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1h-imidazol-1-yl]-7,8-dihydropteridin-6(5h)-one
+COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	1C9	(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C	1CA	desoxycorticosterone
+C1CCC(C1)N	1CB	cyclopentanamine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C(=O)O)COP(=O)(O)O)O	1CC	5-carboxy-2'-deoxycytidine monophosphate
+C[C@@H]1C[C@H]2C[N@]1CCN3C(=O)c4cccc(c4N3)C5=Nc6c(cccc6O2)NC5=O	1CD	(13r,15s)-13-methyl-16-oxa-8,9,12,22,24-pentaazahexacyclo[15.6.2.16,9.1,12,15.0,2,7.0,21,25]heptacosa-1(24),2,4,6,17(25 ),18,20-heptaene-23,26-dione
+C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1	1CE	3-(1h-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCCO)O)O)O	1CF	2-hydroxyethyl 6-deoxy-beta-l-galactopyranoside
+c1ccc2c(c1)nc(o2)[C@H](Cc3ccc(cc3)NC(=O)C(=O)O)S(=O)(=O)Nc4ccc(cc4)F	1CG	[(4-{(2s)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid
+CC1(Cc2ccccc2C(=N1)N[C@@H](Cc3ccccc3)C(=O)O)C	1CH	n-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-phenylalanine
+c1cc(ccc1n2ccnc2)Cl	1CI	1-(4-chlorophenyl)-1h-imidazole
+CCO[C@H](c1cnn2c1cccc2)O	1CJ	(r)-ethoxy(pyrazolo[1,5-a]pyridin-3-yl)methanol
+Cc1cc(n[nH]1)NC(=O)c2ccc(cc2)Br	1CK	4-bromo-n-(5-methyl-1h-pyrazol-3-yl)benzamide
+[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58	1CL	fe(8)-s(7) cluster, oxidized
+CC[C@H](c1ccccc1)C(=O)Nc2ccncc2	1CM	(2r)-2-phenyl-n-pyridin-4-ylbutanamide
+c1c(cc(c(c1F)N)Cl)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N	1CN	5-{[(4-amino-3-chloro-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide
+C[C@@](CCS)(CC(=O)O)O	1CO	(3s)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid
+Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C	1CP	coproporphyrinogen i
+c1cc(ccc1c2c([nH]nc2Nc3ccc(cc3)O)c4ccc(cc4)O)O	1CQ	4,4'-{3-[(4-hydroxyphenyl)amino]-1h-pyrazole-4,5-diyl}diphenol
+COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O	1CR	popo-2-[4-(2-(4-(methoxy)-1h-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1h-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-a
+Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2Cl	1CS	1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea
+c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccccc2P(=O)(O)O	1CT	[2-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid
+[OH2][Cu+2]	1CU	copper ion, 1 water coordinated
+C[C@@](C[C@H](S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(CC(=O)O)O	1CV	(3r,5r,9r,19r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
+c1cc(c(c(c1)N)O)C(=O)O	1CW	3-amino-2-hydroxybenzoic acid
+c1cc(c(cc1I)F)N=C2C(C(=CC=C2C(=O)NOCCO)F)F	1CX	(5s)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-n-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide
+CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C	1CY	1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
+C[C@](CC(=O)O)(CC(=S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	1CZ	 (3s,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CNc2ccccc2O)/C(=O)O)O	1D0	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)c4ccc[nH]4)C	1D1	(7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(1h-pyrrol-2-yl)-7,8-dihydropteridin-6(5h)-one
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCC2)O)N(C)C	1D2	cyclododecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCCC2)O)N(C)C	1D4	cyclotridecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+c1cc(ccc1CC(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc(cs4)Br	1D5	(4-{(2r)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}phenyl)acetic acid
+Cc1cccc(c1)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5ccc(cc5)CC(=O)O)O	1D6	{4-[(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-3-(3-methylbenzoyl)-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid
+c1cc(cc(c1)C(F)(F)F)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5cccc(c5)C(=O)O)O	1D8	3-{(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid
+c1cc(cc(c1)C(F)(F)F)[C@H]2C(=C(C(=O)N2c3cccc(c3)C(=O)O)O)C(=O)c4cccc(c4)C(F)(F)F	1D9	3-{(5s)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid
+c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	1DA	1-deaza-adenosine
+CCCCCCCCCCS(=O)(=O)O	1DB	1-decane-sulfonic-acid
+C[C@@H](c1ccncc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1DC	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(pyridin-4-yl)ethyl]propanamide
+Cc1nc2ccccc2n1S(=O)(=O)c3ccc(cc3)F	1DD	1-[(4-fluorophenyl)sulfonyl]-2-methyl-1h-benzimidazole
+c1cc(cc(c1)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc5c(c(c4)Cl)OCO5)C(=O)O	1DE	3-{(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid
+COc1cc(cc(c1O)[N+](=O)[O-])C(=O)O	1DF	4-hydroxy-3-methoxy-5-nitrobenzoic acid
+c1cnccc1C(=O)[C@@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O	1DG	(4r)-isonicotinic-acetyl-nicotinamide-adenine dinucleotide
+c1c(sc(n1)N)Cl	1DH	5-chloro-1,3-thiazol-2-amine
+c1ccc2c(c1)CN(C2)C(=O)[C@@H](Cc3ccc(cc3Cl)Cl)N	1DI	(2r)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2h-isoindol-2-yl)propan-1-one
+C#C[C@H](c1ccccc1)O	1DJ	(1r)-1-phenylprop-2-yn-1-ol
+Cc1cc(c(cc1C)C2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4cccs4)C	1DK	{4-[(5r)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid
+Cc1ccc(cc1C(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccccc3)c4cc(cs4)Br	1DL	5-[(2r)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-methylbenzoic acid
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NC(CN3CCOCC3)CN4CCOCC4	1DM	n-(2-morpholin-4-yl-1-morpholin-4-ylmethyl-ethyl)-3-nitro-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide
+COc1cc2c(cc1OC)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N	1DN	7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
+CCCCCCCCCCCCO	1DO	1-dodecanol
+c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	1DP	n1-deaza-adenosine-5'-monophosphate
+c1c([nH]cn1)C(F)(F)F	1DQ	5-(trifluoromethyl)-1h-imidazole
+c1ccc2c(c1)c3ccc4c(c[nH]c4c3[nH]2)C=O	1DR	1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
+CCCCCCCCCC(=O)OC[C@@]1([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O	1DS	1-o-decanoyl-beta-d-tagatofuranosyl beta-d-allopyranoside
+C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccccc4	1DT	n-[(1s)-1-cyclopropylethyl]-2-phenoxy-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+c1cnn(c1)CCO	1DU	2-(1h-pyrazol-1-yl)ethanol
+Cc1cc(n[nH]1)C(F)(F)F	1DV	5-methyl-3-(trifluoromethyl)-1h-pyrazole
+c1cc(c(cc1O)C=O)Br	1DW	2-bromo-5-hydroxybenzaldehyde
+c1cc(ccc1C[N@@](CCCCC(=O)O)CCc2cc(ccc2OCc3ccc(cc3)c4ccc(cc4)C(F)(F)F)F)C(=O)O	1DX	4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid
+COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3	1DY	n-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide
+Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccccc3	1DZ	1-(3-methylphenyl)-5-phenyl-1h-pyrazole-3-carboxylic acid
+CCCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N	1E0	4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide
+C1CC1C[C@@H]([C@H](C(=O)N)O)N	1E1	(2r,3s)-3-amino-4-cyclopropyl-2-hydroxybutanamide
+CC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)O	1E2	(2s)-3-(acetyloxy)-2-hydroxypropyl 6-deoxy-6-sulfo-beta-d-glucopyranoside
+C(CCC[C@@H](C(=O)O)N)CCCN	1E3	(2s)-2,9-diaminononanoic acid
+COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O	1E4	1-o-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-o-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-d-mannitol
+c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O	1E5	6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid
+COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O	1E6	6-({2-[(5-chloro-4-{[(2s)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
+COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl	1E7	6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
+C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N	1E8	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one
+CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC3=NS(=O)(=O)c4c3ccc(c4)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl	1E9	n-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide
+Cc1cc(c(cc1c2cc(c3cc(ccc3n2)F)C(=O)O)C(C)C)Oc4ccccc4	1EA	6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid
+c1cc(ccc1NC(=O)C2CC2)[N+](=O)[O-]	1EB	n-(4-nitrophenyl)cyclopropanecarboxamide
+[B-](CCCC[C@@](CCCO)(C(=O)O)N)(O)(O)O	1EC	[(5r)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-)
+c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	1ED	(3s,6s)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione
+[B-](CCCC[C@@](CCN1CCC(CC1)O)(C(=O)O)N)(O)(O)O	1EE	[(5r)-5-amino-5-carboxy-7-(4-hydroxypiperidin-1-yl)heptyl](trihydroxy)borate(1-)
+Cc1ccc(cc1)C(=O)NCc2cn(nn2)[C@H](Cc3ccc4ccccc4c3)CC(=O)NO	1EF	n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)NC(=NC2=O)N	1EG	5'-o-(l-alpha-glutamylsulfamoyl)guanosine
+c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCc4ccnc(c4)Cl	1EH	4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N=CNC2=O	1EI	5'-o-(l-alpha-glutamylsulfamoyl)inosine
+c1cc(ccc1c2nnc(n2c3ccc4c(c3)sc(c4Cl)C(=O)O)S)F	1EJ	3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid
+c1ccc(cc1)n2c(nnc2SCC(=O)O)c3c(c4ccccc4s3)Cl	1EK	{[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid
+Cc1c2c(c(c3c1[nH]c4c3cc(cc4)O)C)C(=O)N=CC2	1EL	9-hydroxy-5,11-dimethyl-4,6-dihydro-1h-pyrido[4,3-b]carbazol-1-one
+CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCC	1EM	(1s)-2-hydroxy-1-[(nonanoyloxy)methyl]ethyl myristate
+c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F	1EN	3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine
+c1ccc(c(c1)Oc2cccn3c2nnc3C45CCC(C4)(CC5)O)F	1EO	(1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol
+CC(C)[C@H]1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C	1EP	(5s)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione
+c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5	1EQ	3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine
+CC(C)(C)c1cccc(c1)C2=CC=CNC2=O	1ER	3-(3-tert-butylphenyl)pyridin-2(1h)-one
+Cn1cc(c2c1cccc2)CCN	1ES	2-(1-methyl-1h-indol-3-yl)ethanamine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3cc(cc(n3)N)C	1ET	6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)
+CCNC(=O)Nc1[nH]c2cc(cc(c2n1)C(=O)C)c3cccnc3	1EU	1-(4-acetyl-6-pyridin-3-yl-1h-benzimidazol-2-yl)-3-ethylurea
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)N)C	1EV	3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile
+Cc1cc(nc(c1)N)CCc2ccc(c(c2)CCc3cc(cc(n3)N)C)CCCN	1EW	6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)
+CC/C=C\C=C/CCCCCCCCCCO	1EX	(11z,13z)-hexadeca-11,13-dien-1-ol
+CC/C=C\C=C/CCCCCCCCCC=O	1EY	(11z,13z)-hexadeca-11,13-dienal
+c1cc(ccc1NC(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N	1EZ	n-(4-sulfamoylphenyl)-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
+CCOc1cc(ccc1C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)c4ccc(cc4)Cl)(C)c5ccc(cc5)Cl)C(C)(C)C	1F0	[(4s,5r)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1h-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone
+c1cc(cc2c1cc[nH]2)C(=O)O	1F1	1h-indole-6-carboxylic acid
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CCC[C@@H]3c4cccnc4)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C	1F2	(3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3C=CC[C@@H]3c4ccc(cc4)NC(=O)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C	1F3	(3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-2-[4-(acetylamino)phenyl]-2,3-dihydro-1h-pyrrole-1-carboxylate
+CC[C@@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CC(C[C@@H]3c4cccnc4)(C)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C	1F4	(3as,4r,7r,8s,9s,10r,11r,13r,15s,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-4,4-dimethyl-2-(pyridin-3-yl)pyrrolidine-1-carboxylate
+C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O)C(C)C)C)(COC)O	1F5	(1r,3as,4r,5r,6r,9ar,10e)-6-({(1s,2r,4s,5r,6r,8s,9s)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2s)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol
+CN1c2ccc(cc2N(C(=O)/C(=C\NCCOC)/C1=O)c3ccccc3)C(F)(F)F	1F6	(3z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1h-1,5-benzodiazepine-2,4(3h,5h)-dione
+CCCCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O)O	1F7	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3r)-3-hydroxytetradecanethioate
+Cc1c(c2ccccc2o1)C(=O)NCCS	1F8	2-methyl-n-(2-sulfanylethyl)-1-benzofuran-3-carboxamide
+c1cc(ccc1C#Cc2cc(cc(n2)C#CCN3CCOCC3)Sc4ccc(c5c4CCC5)OCC(=O)O)C(F)(F)F	1FA	[(7-{[2-(3-morpholin-4-ylprop-1-yn-1-yl)-6-{[4-(trifluoromethyl)phenyl]ethynyl}pyridin-4-yl]thio}-2,3-dihydro-1h-inden- 4-yl)oxy]acetic acid
+CC(C)(C)n1c2c(c(ncn2)N)c(n1)Oc3cccc(c3)Cl	1FB	1-tert-butyl-3-(3-chlorophenoxy)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C(=O)O	1FC	4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid
+c1cc(ccc1CN)OC(F)(F)F	1FD	1-[4-(trifluoromethoxy)phenyl]methanamine
+c1cc2c(cc1NC(=O)CN)NC(=O)N2	1FE	n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)glycinamide
+Cn1c(c(cn1)C(=O)O)c2ccccc2	1FF	1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid
+CN(CC1=NC(=O)c2ccccc2N1)CC(=O)N3CCCc4c3cccc4	1FG	2-({[2-(3,4-dihydroquinolin-1(2h)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1h)-one
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe+2]36[N]7=C(C(C(C7=C2)C=C)C)C(=C8N6C(=C5)C(=C8C=C)C)c9ccccc9)C)CCC(=O)O	1FH	12-phenylheme
+c1ccc(c(c1)CNc2c(nccn2)C(=O)N)C(F)(F)F	1FI	3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide
+Cc1cccc(c1C)NC(=O)C2=C3NC(=O)c4c(ccs4)N3C(=S)S2	1FJ	~{n}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide
+CC(=O)c1cc(c2n1ccc(c2)N)c3ncccn3	1FK	1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone
+c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O	1FL	5-(2,4-difluorophenyl)-2-hydroxy-benzoic acid
+C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O1)O)OC)O)O	1FM	(3s,5z,8s,9s,11e)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
+c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)F	1FN	1-(4-fluorophenyl)-n-[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
+c1cc(cc(c1)F)C(=O)c2cc([nH]c2)C=CC(=O)C=C(C(=O)O)O	1FO	6-[4-(3-fluorobenzoyl)-1h-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
+C1CN(CCN1)C=O	1FP	piperazine-1-carbaldehyde
+c1cc(ccc1C(=O)c2cc([nH]c2)/C=C/C(=O)/C=C(/C(=O)O)\O)F	1FQ	(2z,5e)-6-[4-(4-fluorobenzoyl)-1h-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
+C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4cc(cc(c4)Cl)CCCO	1FR	3-[3-chloro-5-(5-{[(1s)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol
+c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])Cl	1FS	2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile)
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O)O)O	1FT	4-s-(6-o-phosphono-alpha-l-idopyranosyl)-4-thio-beta-d-glucopyranose
+c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5	1FV	n-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
+c1cc2c(cc1F)C(=O)N(C=N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4	1FW	(2s)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4h)-yl)-n-(1,3-thiazol-2-yl)propanamide
+c1cc2c(cc1F)C(=O)N(C(=O)N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4	1FX	(2s)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl)-n-(1,3-thiazol-2-yl)propanamide
+CS(=O)(=O)N1CCN(C(=O)C1)[C@@H](CC2CCCCC2)C(=O)Nc3nccs3	1FY	(2s)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-n-(1,3-thiazol-2-yl)propanamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O	1FZ	5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine
+c1ccc(cc1)Oc2ccc(cc2)c3c4c(nccn4c(n3)C5CC(C5)O)N	1G0	cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
+CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N]=N	1G1	n3phe-leu-leu-phe(4-nh2ch2)-methyl vinyl sulfone, bound form
+c1ccc(cc1)C[C@@H](C(=O)O)N=[N+]=[N-]	1G2	(2s)-2-azido-3-phenylpropanoic acid
+CS(=O)(=O)CC[C@H](Cc1ccc(cc1)CN)N	1G3	(2s)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)butan-2-amine
+c1cc(ccc1C[C@H]2CN[C@H](C(=O)N2)Cc3ccc(cc3)O)O	1G4	(3s,6s)-3,6-bis(4-hydroxybenzyl)piperazin-2-one
+Cc1c(cccc1O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](CCS(=O)(=O)C)Cc2ccc(cc2)CN	1G5	hmb-val-ser-phe(4-nh2ch2)-methyl vinyl sulfone, bound form
+CC(C)C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@@H](Cc2ccc(cc2)CN)NC(=O)[C@H](Cc3ccccc3)N=[N]=N	1G6	n3phe-phe(4-nh2ch2)-leu-phe(4-nh2ch2)-methyl vinyl sulfone, bound form
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)O)O)O	1G7	(3s,6s)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione
+c1cc(ccc1C[C@H](C(=O)O)N)CN	1G8	4-(aminomethyl)-d-phenylalanine
+C[C@H]1C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O	1G9	(3s,6s)-3-(4-hydroxybenzyl)-6-methylpiperazine-2,5-dione
+CC1=CCc2ccc(cc2)NC/C(=C/CC1)/C	1GA	geraniline
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4ccc(cc4)O	1GB	(3s,6s)-3-(4-hydroxybenzyl)-6-(1h-indol-3-ylmethyl)piperazine-2,5-dione
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N	1GC	2'-deoxy-5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine
+c1ccc(cc1)CC(=O)NCc2ccc(cc2)S(=O)(=O)N	1GD	2-phenyl-n-(4-sulfamoylbenzyl)acetamide
+[H]/N=C(\c1ccc2c(c1)[C@H]3c4ccccc4C[C@H]3[C@@H](N2)c5cc(c(cc5c6ccc(cc6)C(=O)O)O)OC)/N	1GE	2'-[(6r,6ar,11br)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5h-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid
+CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OC/C=C\C(=O)O)C=CC(O5)(C)C)C	1GF	(~{z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)C2CC(C3=C(N=C(C(=O)N23)NC4CCC4)Cl)(CC)CC)\N	1GG	(6s)-n-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)NC(=O)N4[C@H](C)c5ccccn5	1GH	7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1r)-1-(pyridin-2-yl)ethyl]-1h,2h,3h-imidazo[4,5-c]quinolin-2-one
+C[C@H](C1CC1)Nc2c3c(nc(n3Cc4ccc(cc4)Cl)c5ccc6c(c5)ccs6)nc(n2)C(=O)O	1GI	8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1r)-1-cyclopropylethyl]amino}-7h-purine-2-carboxylic acid
+c1ccc(cc1)Cn2c(c3cccc(c3n2)C(F)(F)F)c4ccc(cc4O)O	1GJ	4-[2-benzyl-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3	1GK	n-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1h-pyrrole-2-carboxamide
+C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC	1GL	2,6-dideoxy-4-o-methyl-alpha-d-galactopyranose
+CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O	1GM	4-[2-ethyl-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O	1GN	2-amino-2-deoxy-beta-d-galactopyranose
+c1cc(sc1)CC(=O)Nc2nnc(s2)S(=O)(=O)N	1GO	n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
+C([C@@H](COP(=O)(O)O)O)O	1GP	sn-glycerol-1-phosphate
+CCCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	1GQ	4-[1-butyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+CC(C)Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	1GR	4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+CC(C)Cn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O	1GS	4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+C=CCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	1GT	4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+C=CCCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O	1GU	4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+Cc1cc(ccc1c2ccc(s2)c3ccc(cc3C)O)O	1GV	4,4'-thiene-2,5-diylbis(3-methylphenol)
+c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O	1GW	5-(2-formylthien-5-yl)-uridine-5'-diphosphate-alpha-d-galactose
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/SC)O	1GZ	methylthioacryloyl-coa
+CCOC(=O)C[C@@H](CC#N)O	1H1	ethyl (3r)-4-cyano-3-hydroxybutanoate
+Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](c3ccccc3)O	1H2	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(r)-hydroxy(phenyl)methyl]phenol
+Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3ccccc3)O	1H3	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(s)-hydroxy(phenyl)methyl]phenol
+c1cc(cc(c1)N2CCCC2=O)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5	1H4	n-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
+c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3([C@H](COC(=N3)N)F)CF)F	1H5	n-{3-[(4s,5r)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1([C@@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1H6	n-{3-[(4r,5s)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1([C@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1H7	n-{3-[(4r,5r)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1H8	n-{3-[(4s)-2-amino-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+c1cc(cc(c1)Br)COc2ccc3c(c2)-c4ccsc4NC3=O	1H9	8-[(3-bromophenyl)methoxy]-4~{h}-thieno[2,3-c]isoquinolin-5-one
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O	1HA	1-hydroxy-2-naphthoyl-coa
+CN(C)C(=O)CC[C@@H](CO)N	1HB	(4s)-4-amino-5-hydroxy-n,n-dimethylpentanamide
+C=CC(=O)N	1HC	prop-2-enamide
+CC(=O)NC[C@@H](CO)N	1HD	n-[(2s)-2-amino-3-hydroxypropyl]acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCSC)O	1HE	3-methylmercaptopropionate-coa (mmpa-coa)
+c1cc(oc1)/C=C\2/C(=O)N/C(=N/N=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/S2	1HF	(3e)-3-{(2z)-[(5z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene}-2-oxo-2,3-dihydro-1h-indole-5-sulfonic acid
+C[C@]1([C@H]([C@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HG	n-{3-[(4r,5r,6s)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1([C@H]([C@@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HH	n-{3-[(4r,5r,6r)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1(C[C@@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HJ	n-{3-[(4s,6r)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+COc1cc(ccc1O)CCc2c3c(n[nH]2)-c4ccccc4C3	1HK	4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol
+C[C@]1(C[C@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HL	n-{3-[(4s,6s)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C[C@H](OC(=N3)N)C(F)(F)F)CF)F	1HM	n-{3-[(4s,6s)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+c1ccc2c(c1)ccc(c2O)C(=O)O	1HN	1-hydroxynaphthalene-2-carboxylic acid
+c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C(COC(=N3)N)(F)F)CF)F	1HO	n-{3-[(4s)-2-amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+Cn1c2cc(cnc2nc1N)c3ccc(cc3)O	1HP	4-(2-amino-1-methyl-1h-imidazo[4,5-b]pyridin-6-yl)phenol
+c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(CCOC(=N3)N)C(F)F)F	1HQ	n-{3-[(4s)-2-amino-4-(difluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+c1cc(c(cc1C(=O)[C@H]2C[C@@H]2C(=O)O)Cl)Cl	1HR	(1s,2s)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid
+C[C@@H](CSCCS(=O)(=O)O)O	1HS	2-{[(2s)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid
+CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)C(=CC)C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)OC(=O)CCC	1HT	(3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate
+CNCCc1c[nH]c2c1cccc2	1HU	2-(1h-indol-3-yl)-n-methylethanamine
+CNC(=O)c1ccc(cc1)n2c3ccccc3c(n2)c4ccc(cc4)C(=O)NCCCN	1HV	4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1h-indazol-1-yl)-n-methylbenzamide
+COc1ccc2c(c1)C3=NN([C@@H]([C@@H]3CC2)c4ccc(c(c4)F)OC(F)(F)F)C(=O)CO	1HW	1-{(3s,3as)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2h-benzo[g]indazol-2-yl}-2-hydroxyethanone
+C[C@@H](c1c(cccc1Cl)F)NC(=O)c2ccc(n2C)C#N	1HX	n-[(1s)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1h-pyrrole-2-carboxamide
+c1cc(c(c(c1)O)O)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	1HZ	5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine
+CC1CCC(CC1)Cn2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2N6CCO[C@H]7[C@H]6CCC7	1I0	3-[4-(5-chloropyridin-3-yl)-2-[(4ar,7ar)-hexahydrocyclopenta[b][1,4]oxazin-4(4ah)-yl]-3-{[(1r,4r)-4-methylcyclohexyl]methyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one
+c1nc(c2c(n1)n(cn2)CCN[C@@H](CO)C(=O)NP(=O)(O)O)N	1I1	((2-(6-amino-9h-purin-9-yl)ethyl)-l-seryl)phosphoramidic acid
+CC1CCC(CC1)[C@@H](C)n2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2[C@H](C)COC	1I3	3-[4-(5-chloropyridin-3-yl)-2-[(2s)-1-methoxypropan-2-yl]-3-{(1r)-1-[(1r,4r)-4-methylcyclohexyl]ethyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one
+C[C@H](Cn1cnc2c1ncnc2N)N(CCP(=O)(O)O)CC(=O)O	1I4	(r)-n-(1-(6-amino-9h-purin-9-yl)propan-2-yl)-n-(2-phosphonoethyl)glycine
+COc1cccc(c1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O	1I6	methyl (z)-4-(4-(4-chlorobenzyl)-1-(3-methoxybenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+c1ccc2c(c1)C[C@@H](NC2)C(=O)N[C@H](Cc3ccc(cc3)Cl)C(=O)N4CCC(CC4)(Cn5cncn5)C6CCCCC6	1I8	(3r)-n-[(2r)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
+CCO[C@@H](c1nc2cc(nc(c2n1[C@H](C)C3CCC(CC3)C)c4cc(cnc4)Cl)C5=NOC(=O)N5)C6CC6	1I9	3-[4-(5-chloropyridin-3-yl)-2-[(r)-cyclopropyl(ethoxy)methyl]-3-{(1r)-1-[(1r,4r)-4-methylcyclohexyl]ethyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one
+c1nc(c2c(n1)n(cn2)CCN[C@@H](CP(=O)(O)O)C(=O)O)N	1IA	(2~{r})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid
+CCCCCCCC(=O)OC[C@H](C(=O)O)N	1IC	o-octanoyl-d-serine
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(S3)(C)C)CCNC(=O)C	1IG	n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzothiazin-4-yl]ethyl}acetamide
+c1nc(c2c(n1)n(cn2)CCN[C@H](CP(=O)(O)O)C(=O)O)N	1IH	(s)-2-((2-(6-amino-9h-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid
+c1nc(c2c(n1)n(cn2)CCCN[C@H](CP(=O)(O)O)C(=O)O)N	1IK	(s)-2-((3-(6-amino-9h-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid
+C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)CCc4cccnc4)O)O	1IN	1-[2-hydroxy-4-(2-hydroxy-5-methyl-cyclopentylcarbamoyl)5-phenyl-pentyl]-4-(3-pyridin-3-yl-propionyl)-piperazine-2-carb oxylic acid tert-butylamide
+c1nc(c2c(n1)n(cn2)CCO[C@H](CP(=O)(O)O)C(=O)O)N	1IO	(s)-2-(2-(6-amino-9h-purin-9-yl)ethoxy)-3-phosphonopropanoic acid
+C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)N	1IP	n~2~-(phosphonoacetyl)-l-asparagine
+CC(C)[C@@]1(C(=O)NC(=N1)c2c(cc3ccccc3n2)C(=O)O)C	1IQ	2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)quinoline-3-carboxylic acid
+COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4	1IR	n-[cis-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
+COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4	1IS	n-[trans-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
+c1ccc2c(c1)c3ccccc3o2	1IT	dibenzofuran
+C[C@H](CP(=O)([C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2[nH]nnn2)N)O)C(=O)N[C@@H](C)C(=O)N	1IU	[3-[[(2s)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]-[(1r)-1-[[(2r)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid
+COc1ccc(nn1)[C@H](c2cc(c(cc2Cl)F)c3c4ccc(cc4ncn3)N5CCOCC5)O	1IX	(~{s})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
+CC1=Cc2cc3c(c(c2C(=O)O1)O)[C@]4(C(=C5C(=C([C@]4(CC3)O)O)C(=O)C6=C(C5=O)C(=O)C(=CC6=O)OC)O)O	1J0	collinone
+C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N	1J1	n~6~-[(2r)-3,4-dihydro-2h-pyrrol-2-ylcarbonyl]-l-lysine
+CS(=O)(=O)C1CCN(CC1)c2cccc3c2ccn3c4ccnc(n4)NC5CCC(CC5)O	1J2	trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1h-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
+CN1CCN(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(C[C@@](C(=O)N4C)(C=C)F)C5CCCC5	1J3	4-{[(7r)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-n-(4-methylpiperazin-1-yl)benzamide
+CN1CCC(CC1)NC(=O)c2cc(c(cc2F)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC	1J4	4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O	1J5	trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexanecarbonitrile
+C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CC#N)cc[nH]3)O	1J6	(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)acetonitrile
+c1ccc(c(c1)n2c3c(cn2)c(ncn3)O[C@@H](COCCO)C(=O)Nc4ccc(cn4)Cl)Cl	1J9	(2s)-2-{[1-(2-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-n-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O	1JB	[[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4s,5r,6r)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+c1ccnc(c1)CNS(=O)(=O)Cc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6	1JC	1-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-n-(pyridin-2-ylmethyl)methanesulfonamide
+Cc1ccc(nc1)NC(=O)[C@H](COC(C)C)Oc2c3cnn(c3ncn2)c4c(cccn4)Cl	1JD	(2s)-2-{[1-(3-chloropyridin-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-n-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide
+CCC[C@]1(c2c(c3c(ccc(c3[nH]2)Cl)Cl)CCO1)CC(=O)O	1JE	[(1r)-5,8-dichloro-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
+c1cc(c(cc1Cl)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl)C(=O)O	1JF	4-chloro-2-{[(2,4,5-trichlorophenyl)sulfonyl]amino}benzoic acid
+c1cc(c(cc1Cl)NS(=O)(=O)c2ccc(s2)Br)C(=O)O	1JG	2-{[(5-bromothiophen-2-yl)sulfonyl]amino}-4-chlorobenzoic acid
+Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccccc3	1JH	2-{[(4-methylphenyl)sulfonyl]amino}-5-phenoxybenzoic acid
+CC[C@@H](O)P(=O)(O)O	1JJ	[(1s)-1-hydroxypropyl]phosphonic acid
+C[C@@H](Cc1cc(no1)c2ccccc2)C(=O)O	1JK	(2s)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
+Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C(=O)O)Oc3ccccc3	1JL	2-{[(4-methylphenyl)sulfonyl]amino}-4-phenoxybenzoic acid
+CN[C@H](Cc1ccc(cc1)C(=O)O)C(=O)O	1JM	4-carboxy-n-methyl-d-phenylalanine
+Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCC4	1JN	1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
+c1ccc(cc1)CCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N	1JO	d-gamma-glutamyl-s-(4-phenylbutyl)-l-cysteinylglycine
+c1ccc(cc1)CC[C@H](CSC[C@@H](C(=O)/N=C\C(=O)O)NC(=O)CC[C@H](C(=O)O)N)O	1JP	d-gamma-glutamyl-(z)-n-(carboxymethylidene)-s-[(2r)-2-hydroxy-4-phenylbutyl]-l-cysteinamide
+C[C@H](Cc1cc(no1)c2ccccc2)C(=O)O	1JQ	(2r)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
+c1ccc(cc1)c2c3c(n[nH]2)C(=O)N[C@H]3c4cccnc4	1JR	(4s)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2h)-one
+c1ccc(cc1)C#Cc2ccc(cc2)C(=O)N[C@@H](CCC(=O)NCCCO)C(=O)NO	1JS	n~1~-hydroxy-n~5~-(3-hydroxypropyl)-n~2~-[4-(phenylethynyl)benzoyl]-l-glutamamide
+Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCCC4	1JT	1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1h-naphtho[2,3-d]imidazole
+c1cc2c(cc1Cn3cnc4c3cc5c(c4)CCCC5)OCO2	1JU	1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1h-naphtho[2,3-d]imidazole
+CC(C)(Cn1cc(cn1)c2ccc-3c(c2)OCCc4c3nc(s4)c5ncnn5CC(F)(F)F)O	1JV	2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1h-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1h-pyrazol-1-yl)propan-2-ol
+C(CCO)C[C@@H](CO)O	1JW	(2s)-hexane-1,2,6-triol
+C[C@@H]1C(=O)Nc2c(cccn2)N1	1JX	(2r)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2h)-one
+C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO	1JY	n-(4-{[(6s)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1h-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-l-gamma-glutamyl-d-glutamic acid
+[H]/N=C(\N)/Nc1ccc(cc1)CO	1JZ	1-[4-(hydroxymethyl)phenyl]guanidine
+Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC	1K0	2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3h)-one
+CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)OC	1K3	5-(4-methoxyphenyl)-n-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine
+CCCCCCCCCC(=O)N[C@@H](CCO)C(=O)O	1K4	n-decanoyl-l-homoserine
+c1ccc2c(c1)C(=O)c3ccccc3N2CC(=O)O	1K5	(9-oxoacridin-10(9h)-yl)acetic acid
+CC[C@H](C)[C@H](C=O)[C@H](C(=O)O)O	1K6	(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoic acid
+c1ccc(cc1)CC[C@H](C[C@@H]2C[C@@H]2N)N	1K7	(1s,2s)-2-[(2r)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine
+c1ccc2c(c1)cc(c(n2)N3CCNCC3)Cl	1K8	3-chloranyl-2-piperazin-1-yl-quinoline
+c1cc(cc(c1)NC(=O)Nc2cc(ccc2c3ccsc3)S(=O)(=O)NC4CC4)C(F)(F)F	1K9	1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea
+C(COCC=O)O	1KA	(2-hydroxyethoxy)acetaldehyde
+CSCCC=C[C@H](CC(=O)O)O	1KC	(3s)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid
+CC(C)(C(=O)N[C@H](COCc1ccccc1)C(=O)N2CCC3(CC2)CN(c4c3cccc4)S(=O)(=O)C)N	1KD	1-(methanesulfonyl)-1'-(2-methyl-l-alanyl-o-benzyl-d-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine]
+c1c(cnc(c1Cl)N2CCNCC2)I	1KE	1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine
+CCC(=O)OC[C@H](C)CC[C@@H]1[C@H]([C@H]2[C@@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)C	1KG	(3beta,9beta,22r,25r)-3-hydroxyfurost-5-en-27-yl propanoate
+C([C@H]([C@@H]([C@H](C(O)O)O)O)O)[As](=O)(O)O	1KH	arsenoribose
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOC	1KJ	n~5~-(n-methoxycarbamimidoyl)-l-ornithine
+c1nc(c2c(n1)n(cn2)CCCO[C@H](CP(=O)(O)O)C(=O)O)N	1KK	(s)-2-(3-(6-amino-9h-purin-9-yl)propoxy)-3-phosphonopropanoic acid
+CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(cc2)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC	1KL	methyl (2z)-(3-{4-[(4-tert-butylphenyl)carbamoyl]phenyl}-4-oxo-1,3-thiazolidin-2-ylidene)(cyano)acetate
+C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O	1KM	(2r)-2-azanyl-3-[(1r,2s)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid
+C[C@H]1[C@H]([C@H]([C@@H](N1)c2ccc(cc2)OC)O)O	1KN	(2s,3s,4r,5s)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
+c1cc(ccc1c2cn3c(n2)c(cnc3C(=O)N)N[C@H]4CCCNC4)Cl	1KO	2-(4-chlorophenyl)-8-[(3s)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide
+c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl	1KP	(3e)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2h-indol-2-one
+Cc1cc(ncn1)c2ccc3c(c2)CC[C@H]3N4CC5(C4)CCN(CC5)C(=O)Cc6cn7cc(sc7n6)C	1KQ	 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1r)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
+CC[C@H](C)[C@H](C=O)[C@H](C(=O)N[C@H]1C[C@H]1C[C@@H](CCc2ccccc2)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O	1KR	benzyl [(2s)-1-({(2r)-1-[(1s,2s)-2-{[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)F	1KS	4-fluoro-n-methyl-n-{1-[4-(1-methyl-1h-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide
+COc1cc2c(c(c1)OC)[C@@H]3[C@H]4CCC[C@H](N4C(=O)C(=O)c5cc(c(c(c5)OC)OC)OC)C(=O)N3CC2	1KT	1-[(9s,13r,13ar)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6h-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
+COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)scn5	1KU	(1s,6r)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
+CO[C@@H]1CC[C@@H]([C@H](C1)NC(=O)CN2CCN(CC2)Cc3ccc4c(c3)OCO4)OC	1KV	2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-n-[(1s,2s,5s)-2,5-dimethoxycyclohexyl]acetamide
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612	1KW	ortho-carborane
+c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4	1KX	{(1s,4r)-4-[2-amino-6-(cyclopropylamino)-9h-purin-9-yl]cyclopent-2-en-1-yl}methanol
+COc1ccc(cc1OC)OCCN2C[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5	1KY	6-({(1s,5r)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3h)-one
+COc1ccc(cc1OC)OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c3ccc4c(c3)SC(=O)N4	1KZ	2-(3,4-dimethoxyphenoxy)ethyl (2s)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate
+CN(C)C(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O	1L0	4-azanyl-~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
+C1CCC(CC1)C[C@H](C(=O)O)NS(=O)(=O)N	1L1	3-cyclohexyl-n-sulfamoyl-d-alanine
+CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC	1L2	(2s)-3-(alpha-d-galactopyranosyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl (9z,12z)-octadeca-9,12-dienoate
+CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	1L3	menaquinone-4
+c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4	1L4	n-[(2r)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
+C/C(=C\N(=O)=O)/c1ccccc1	1L5	[(1e)-1-nitroprop-1-en-2-yl]benzene
+CCC(C)(C)c1c2c(n(n1)CCO)C(=O)NCC(=N2)c3ccc(cc3)n4ccnc4C	1L6	1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1h-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1h)-one
+c1ccc(cc1)CNC(=O)/C(=C/c2ccncc2)/C#N	1L7	(2e)-n-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide
+c1cc(cc(c1)C(F)(F)F)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4	1L8	8-fluoro-n-{(2r)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2ccc(cc2)Cl)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	1L9	n-[(2s,3s,4r)-1-({6-o-[(4-chlorophenyl)carbamoyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2ccncc2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	1LA	n-[(2s,3s,4r)-3,4-dihydroxy-1-{[6-o-(pyridin-4-ylcarbamoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
+c1cc2c(cc1C[C@@H](C#N)C(=O)N)cn[nH]2	1LB	(2s)-2-cyano-3-(1h-indazol-5-yl)propanamide
+c1cc(cc(c1)C(=O)c2c[nH]c3c2cccn3)C[C@H](C#N)C(=O)N	1LC	(2r)-2-cyano-3-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide
+C1=C(C(=NC(=O)N1)N)F	1LD	5-fluorocytosine
+CC(C)(CO)NC(=O)[C@@H](Cc1ccc2c(c1)c(n[nH]2)c3cc(c(c(c3)OC)OC)OC)C#N	1LE	(2s)-2-cyano-n-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]propanamide
+Cc1nc(nc(n1)N2CCC(CC2)C(=O)NCc3ccccc3C(F)(F)F)NC	1LF	1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-n-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide
+c1c(c(cc(c1S(=O)(=O)N2CCOCC2)Cl)Cl)C(=O)Nc3c(c4c(s3)CCCC4)C#N	1LG	2,4-dichloro-n-(3-cyano-4,5,6,7-tetrahydro-benzothiophen-2yl)-5-(morpholine-4-sulfonyl)-benzamide
+CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)NCC[NH3+]	1LH	(2s)-4-[(2-ammonioethyl)amino]-n-[(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CCCCC2)c3cccc(c3)C(C)(C)C)O	1LI	n-[(1s,2r)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(nc3)N	1LJ	1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea
+C1[C@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)F	1LK	1,4-anhydro-2-deoxy-2-fluoro-5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-d-arabinitol
+C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S[C@H]2[C@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O	1LL	thioditaloside
+c1ccc2c(c1)c(ccn2)N	1LM	quinolin-4-amine
+C1=CC=[N](C(=C1)N)CCO	1LN	2-(2-aminopyridin-1-ium-1-yl)ethanol
+C[C@H](C=O)c1ccccc1	1LP	tranylcypromine
+c1ccc2c(c1)c(ncn2)N	1LQ	quinazolin-4-amine
+c1ccc(cc1)C(=O)Nc2cccc(c2O)C(=O)O	1LR	3-(benzoylamino)-2-hydroxybenzoic acid
+c1cc(cnc1)CNC(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3	1LS	1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea
+Cc1c(sc(n1)NC(=O)N2CCC[C@H]2C(=O)N)c3ccnc(c3)C(C)(C)C(F)(F)F	1LT	(2s)-n~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide
+CC(C)C[C@@H](C(=O)O)O	1LU	(2s)-2-hydroxy-4-methyl-pentanoic acid
+c1csc2c1c(c3c(n2)CCCC3)N	1LW	5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine
+c1cc(n2ccnc2c1)N	1LX	imidazo[1,2-a]pyridin-5-amine
+c1cc2nccn2cc1N	1LY	imidazo[1,2-a]pyridin-6-amine
+c1c[nH]c2c1ncc(c2)CO	1LZ	1h-pyrrolo[3,2-b]pyridin-6-ylmethanol
+C=CC[C@H](COc1ccc(cc1)c2nc3ccccc3n2Cc4ccccc4)n5c6ccccc6nc5c7ccccc7	1M0	1-benzyl-2-(4-{[(2r)-2-(2-phenyl-1h-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1h-benzimidazole
+c1ccc2c(c1)-c3nc4ccccc4n3[C@@H](N2)c5ccccn5	1M1	(6r)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
+CNc1[nH]c2ccccc2n1	1M2	n-methyl-1h-benzimidazol-2-amine
+Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C	1M3	n-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide
+CC1(C[C@@]2(c3cc(ccc3O1)Br)C(=O)N(C(=N2)N)C)C	1M4	(4r)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'h)-one
+CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)Cl)C(=O)N(C(=N2)N)C)C	1M5	(4r)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'h)-one
+CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)C#N)C(=O)N(C(=N2)N)C)C	1M6	3-[(4r)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile
+CC1(Cc2ccc(cc2[C@]3(C1)C(=O)N(C(=N3)N)C)c4cncnc4)C	1M7	(4r)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'h-spiro[imidazole-4,1'-naphthalen]-5(1h)-one
+Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4	1M8	5-(2-chlorophenyl)-n-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
+CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3C(F)(F)F)C(C)C	1M9	2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid
+[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C	1MA	6-hydro-1-methyladenosine-5'-monophosphate
+c1cc(c(nc1)Oc2ccc3c(c2)C(=O)N=CN3Cc4ccc(cc4F)F)C(F)(F)F	1MB	1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1h)-one
+CN1C=CC(=NC1=O)N	1MC	1-methylcytosine
+Cc1c(c(c2c(n1)CN(C2=O)CC(=O)N(C)C)c3ccc(cc3Cl)Cl)CN	1MD	2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-n,n-dimethylacetamide
+CC([C@H](C(=O)O)N)SC	1ME	(2s)-2-amino-3-methylsulfanyl-butanoic acid
+c1ccc(cc1)Oc2ccc(cc2)c3ccc(cc3)COc4ccccc4CCN(CCCCC(=O)O)Cc5ccc(cc5)C(=O)O	1MF	4-{[(4-carboxybutyl)(2-{2-[(4'-phenoxybiphenyl-4-yl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid
+CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C1N	1MG	1n-methylguanosine-5'-monophosphate
+c1cc(cnc1)C[C@@H](C(=O)O)N	1MH	3-pyridin-3-yl-l-alanine
+C(CO)C(CO)CO	1MI	2-(hydroxymethyl)butane-1,4-diol
+c1c[nH]c2c1ncc(c2)C=O	1MJ	1h-pyrrolo[3,2-b]pyridine-6-carbaldehyde
+CC(C)C12=CC=C([Os]1([N]3=C(C=CC=C3)C(=S)Nc4ccc(cc4)F)Cl)(C=C2)C	1MK	chlorido(eta-6-p-cymene)(n-fluorophenyl-2-pyridinecarbothioamide)osmium(ii)
+CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC)C(C)C	1ML	5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid
+Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC	1MM	methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate
+CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Br)c4ccc(cc4)Br	1MN	(2s,5r,6s)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
+CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Cl)c4ccc(cc4)Cl	1MO	(2s,5r,6s)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one
+C/C=C/[C@H](C(=O)O)N1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccc(cc2)F)c3ccc(cc3)Cl)c4ccc(cc4)Cl	1MQ	(2r,3e)-2-[(2s,3r,6s)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid
+CNc1ccccc1	1MR	n-methylaniline
+Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-]	1MS	n-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide
+CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NCCN)c4cccc(c4F)Cl	1MT	(2's,3r,4's,5'r)-n-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
+c1cc(ccc1CCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O	1MU	3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid
+Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O	1MV	({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)
+c1cc(ccc1CCCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O	1MW	3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid
+c1ccc(cc1)NC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N	1MX	2-amino-4-oxo-n-{2-[(phenylcarbamoyl)amino]ethyl}-3,4-dihydropteridine-7-carboxamide
+CC[C@@H](CO)N1[C@@H]([C@@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	1MY	{(2s,5r,6s)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2s)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
+Cn1cc[nH+]c1	1MZ	1-methylimidazole
+[H]/N=C(/N)\Nc1ccc(cc1)N[C@H]2C[C@H]([C@@H](C[C@@H]2Oc3ccc(cc3)N/C(=N\[H])/N)Oc4ccc(cc4)N/C(=N/[H])/N)N/C(=N/[H])/N	1N	1-[(1~{r},2~{r},4~{s},5~{s})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
+C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O	1N0	1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	1N1	n-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide
+C1CC(=O)N(C1=O)CCN2C(=O)CCC2=O	1N2	1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione
+COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4(CC4)CN	1N3	1-(aminomethyl)-n-(3-{[6-bromo-2-(4-methoxyphenyl)-3h-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide
+CCCc1cnn(c1[C@H](C(=O)O)N)O	1N4	(2r)-amino(1-hydroxy-4-propyl-1h-pyrazol-5-yl)ethanoic acid
+C(C[C@@H](C[C@H](C(=O)O)O)O)CO	1N5	(2r,4s)-2,4,7-trihydroxyheptanoic acid
+c1cc(cc(c1)Nc2c3c(nc(n2)NC4CCC(CC4)N)C=CNC3=O)C(F)(F)F	1N6	2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6h)-one
+C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	1N7	chapso
+CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c2ccc(c(c2)c3ccc4c(c3)cnc(n4)NC)C)C(F)(F)F	1N8	n-{2-[(n,n-diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
+Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	1N9	2,6-dimethylphenyl 2-(3,5-dimethoxy-4-(3-(4-methylpiperazin-1-yl)propoxy)phenylamino)pyrimidin- 4-yl(2,4-dimethoxyphenyl)carbamate
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O	1NA	n-acetyl-o-methyl-d-glucosamine
+C=CC[C@@H](C=O)[C@H]1CCC[C@@H]1O	1NB	2-(2-hydroxy-cyclopentyl)-pent-4-enal
+c1cc(ccc1C(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4	1ND	1-[4-(1-pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole
+CN(C)C(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3	1NE	n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide
+c1cc(c(cc1n2c3c(c(n2)C(F)(F)F)CCCC3)F)CN4CCCC4=O	1NF	n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide
+c1cc(ccc1CC(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4	1NG	1-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-( trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole
+C/C(=C\CO[P@](=O)(O)OP(=O)(O)O)/CC\C=C(/C)\COCc1cccc(c1)C(=O)c2ccccc2	1NH	(2e,6e)-8-[(3-benzoylbenzyl)oxy]-3,7-dimethylocta-2,6-dienyl trihydrogen diphosphate
+CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O	1NI	4-[2-(2-acetylamino-3-naphthalen-1-yl-propionylamino)-3-methyl-butyrylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide
+[H]/N=C(\c1ccc(cc1)NC(=O)c2c(ccc(n2)OC)c3ccc(cc3C(=O)O)C(=O)N[C@H](CO)C(C)(C)C)/N	1NJ	2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
+CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc4c(c3)ccnc4N)OC	1NK	2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
+CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3cccc(c3)C(=O)N)OC	1NL	2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
+COc1ccc(cc1OCCF)c2nc(cs2)CSc3nc(cc(n3)N)N	1NM	2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
+CCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N	1NN	2-[({5-ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
+Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N	1NO	2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
+c1ccc2c(c1)cccc2O	1NP	1-naphthol
+CCNC(=O)c1ccc(s1)C(=O)NCCC2CCN(CC2)c3c4c(cc(s4)C(=O)N)ncn3	1NQ	n-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-n'-ethylthiophene-2,5-dicarboxamide
+CC(C)(C)C(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2	1NR	4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
+CS(=O)(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2	1NS	4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[C@@](C(=O)O)(O)OP(=O)(O)O	1NT	(2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-bis(phosphonooxy)octanoic acid
+c1ccc(c(c1)C(F)(F)F)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F	1NU	1-(2,4,6-trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]quinazolin-4(1h)-one
+c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)N	1NV	3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-2-(trifluoromethyl)benzamide
+c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)Nc5cccnc5	1NW	3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-n-(pyridin-3-yl)-2-(trifluoromethyl)benzamide
+C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)[C@@H](CC5)NC(=O)C	1NX	2-[[(3r)-3-acetamido-2,3-dihydro-1h-inden-5-yl]oxy]-n-[(1s)-1-cyclopropylethyl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CC1(CC=C(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4ccccc4)C	1NY	4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid
+c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)c5nc6c(o5)cccn6	1NZ	6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1h)-one
+c1ccnc(c1)c2cccc(c2C(F)(F)F)Oc3ccc4c(c3)C(=O)N=CN4Cc5c(cc(cc5F)F)F	1O0	6-[3-(pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1h)-one
+Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccc(cc3)C(=O)O	1O1	5-(4-carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid
+CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\CCCCCCCC	1O2	(2s)-3-(alpha-d-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9z)-octadec-9-enoate
+c1ccc(cc1)Oc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc(cc3F)Br	1O3	2-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid
+c1cc2cc[n+](cc2c(c1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1O4	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CCOc1cc2c(cc1c3cnn(c3)C)[nH]nc2c4ccc(c(c4)S(=O)(=O)N)C	1O5	5-[5-ethoxy-6-(1-methyl-1h-pyrazol-4-yl)-1h-indazol-3-yl]-2-methylbenzenesulfonamide
+CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3)C(C)C	1O6	2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid
+CCOc1ccc2c(c1)-c3ccsc3NC2=O	1O7	8-ethoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
+C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCc2c1cccc2	1O8	(2e,4e,6z,8e)-8-(3,4-dihydronaphthalen-1(2h)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid
+CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)c4cnccn4)C(=O)O	1O9	(4s,5r)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-l-proline
+c1cc(ccc1NC(=O)c2cnn3c2nc(cc3O)C4CCNCC4)F	1OA	n-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1cc(ccc1Cc2cc(n3c(n2)c(cn3)C(=O)Nc4ccc(cc4)F)O)C#N	1OB	5-(4-cyanobenzyl)-n-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(c(c1)c2cc3c(c[nH]c3nc2)NC(=O)c4cnn5c4nc(cc5)NC[C@H]6CCNC[C@@H]6F)F	1OC	n-[5-(2-fluorophenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3r,4r)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCCNC(=O)c3cccc(c3O)O)CCCNC(=O)c4cccc(c4O)O	1OD	(4s,5r)-n,n-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
+c1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl	1OE	2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid
+c1c[n+](cc2c1C=CNC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1OF	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{h}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate
+CC(=O)OC/C/1=C(/N=C\[C@H]([C@@H](S(=O)(=O)C1)C(=O)OC(C)(C)C)C=O)\C(=O)O	1OG	 7-alkylidenecephalosporin dcm-1-10, bound form 
+CC(C)(c1ccccc1)c2ccc(cc2)O	1OH	4-(1-methyl-1-phenylethyl)phenol
+COc1ccc2c(c1)-c3ccsc3NC2=O	1OI	8-methoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2cccc(c2)S(=O)(=O)N)Nc3ccc4cnccc4c3	1OJ	(2r)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-n-[(3-sulfamoylphenyl)sulfonyl]ethanamide
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2ccccc2)Nc3ccc4c(c3)ccnc4N	1OK	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(phenylsulfonyl)ethanamide
+C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O	1OL	(2r,4s,5s)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
+CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)O	1OM	4-{bis[4-(dimethylamino)phenyl]methyl}phenol
+c1ccc2c(c1)CCC2=O	1ON	2,3-dihydro-1h-inden-1-one
+c1cc(ccc1C(F)(F)F)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)Cl)F	1OO	n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide
+c1cc(ccc1C[C@@H](C(=O)O)N)OCCCCCO	1OP	o-(5-hydroxypentyl)-l-tyrosine
+c1cc(nc(c1)C(F)(F)F)[C@@H](C#N)c2ccc(cc2)F	1OQ	(2s)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile
+CCCN(CCC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O	1OR	(2r,4ar,6r,7r,7as)-6-[6-(dipropylamino)-9h-purin-9-yl]tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
+[H]/N=C(\c1ccc(cc1)[C@H](N)P(=O)(O)O)/N	1OS	[(r)-amino(4-carbamimidoylphenyl)methyl]phosphonic acid
+c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O	1OT	{(r)-amino[4-(1h-pyrazol-1-yl)phenyl]methyl}phosphonic acid
+[H]/N=C(/N)\Nc1ccc(cc1)[C@H](N)P(=O)(O)O	1OU	[(r)-amino(4-carbamimidamidophenyl)methyl]phosphonic acid
+[H]/N=C(/N)\NCCC[C@H](N)P(=O)(O)O	1OV	[(1r)-1-amino-4-carbamimidamidobutyl]phosphonic acid
+c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3	1OX	2-(1h-benzimidazol-1-ylmethyl)-4h-pyrido[1,2-a]pyrimidin-4-one
+CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2F)Cl)(C#N)c3ccc(cc3F)Cl	1OY	(3s,4r,5s)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-n-[(3s)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-d-prolinamide
+CN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5	1OZ	n-[(3s)-1-methyl-2-oxidanylidene-5-phenyl-3h-1,4-benzodiazepin-3-yl]-1h-indole-2-carboxamide
+c1c(nnn1CCO)CN(Cc2cn(nn2)CCO)Cc3cn(nn3)CCO	1P0	2,2',2''-[nitrilotris(methanediyl-1h-1,2,3-triazole-4,1-diyl)]triethanol
+Cn1cc2cc1C(=O)NCC[C@H](C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NCC[C@H](C(=O)Nc7cn(c(n7)C(=O)Nc8cn(c(n8)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)C)N)C)C)N	1P1	(22r,51r)-22,51-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,6 5-docosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10( 65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone
+Cn1cc2cc1C(=O)NC[C@@H](CC(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NC[C@@H](CC(=O)Nc7cn(c(n7)C(=O)Nc8cc(n(c8)C)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)N)C)N	1P2	(23r,52r)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone
+C[C@@H]1CCCN(C1)C(=O)C	1P3	(3r)-1-acetyl-3-methylpiperidine
+c1c(nnn1CCCO)CN(Cc2cn(nn2)CCCO)Cc3cn(nn3)CCCO	1P4	3,3',3''-[nitrilotris(methanediyl-1h-1,2,3-triazole-4,1-diyl)]tripropan-1-ol
+CCN(CC)C(=O)[C@H]1CCC[N@@](C1)c2cc(ncn2)c3c(nn4c3nccc4)N	1P5	(3s)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-n,n-diethylpiperidine-3-carboxamide
+C[C@@H](c1ccc(cc1)F)Nc2cc(ncn2)c3c(nn4c3nccc4)N	1P6	3-(6-{[(1s)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
+c1cc2c(cc1Cl)C(=O)NC2	1P7	6-chloro-2,3-dihydro-1h-isoindol-1-one
+c1cc2c(cc1Br)NC(=O)C2	1P8	6-bromo-1,3-dihydro-2h-indol-2-one
+CCC[C@@H](CC(=O)O)N1c2ccccc2N(C1=O)Cc3cc(cc4c3CC(=O)N4)Br	1P9	(3s)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1h-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}hexanoic acid
+c1cc(ccc1C[C@@H](C(=O)O)N)CC(=O)O	1PA	4-(carboxymethyl)-l-phenylalanine
+c1ccc(cc1)CC\C=C\c2ccccc2	1PB	1,4-diphenyl-2-butene
+c1ccc(cc1)C2(CCCCC2)N3CCCCC3	1PC	1-(phenyl-1-cyclohexyl)piperidine
+CC(C)CCN1C(=O)C(=C(C(=N1)c2cncs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N	1PD	2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothia diazin-7-yl}oxy)acetamide
+C(COCCOCCOCCOCCO)O	1PE	pentaethylene glycol
+CN1CCC(CC1)Oc2ccc(cc2)c3c4c(cccc4OCC5CCCCC5)n[nH]3	1PF	4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2h-indazole
+COCCOCCOCCOCCOCCO	1PG	2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol
+c1ccc(cc1)CC(=O)Nc2ccc3c(c2)c([nH]n3)c4cccc(c4)S(=O)(=O)N	1PH	2-phenyl-n-[3-(3-sulfamoylphenyl)-2h-indazol-5-yl]acetamide
+[H]/N=C(/N)\N1CCC[C@@H](C1)C[C@@H](C=O)N	1PI	(3r)-3-[(2s)-2-amino-3-oxopropyl]piperidine-1-carboximidamide
+COc1ccc(cc1)C2(CC2)C(=O)O	1PJ	1-(4-methoxyphenyl)cyclopropanecarboxylic acid
+c1cc2cccc3c2c(c1)NC(=N3)N	1PK	1h-perimidin-2-amine
+C[C@H]1CC[C@H]2[C@@]13CC(C[C@@H]3C=C2C(=O)O)(C)C	1PL	(1s,3as,5ar,8as)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid
+COC(=O)N1CCN([C@H](C1)CC(=O)NCc2ccc3c(c2)OCO3)c4ccnc(n4)n5ccnc5	1PM	methyl (3s)-3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
+C[C@H]([C@@H](C=O)[C@H]1NC(=CS1)C(=O)OCC=C)OC(=O)C	1PN	prop-2-en-1-yl (2s)-2-[(2s,3r)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate
+C[C@H]1CO[C@@H](O[C@@H]1[C@@H](C)[C@H]([C@@H](C)/C=C/C(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)c2ccc(cc2)OC	1PO	n-{(1e,4r,5r,7e,9s,10s,11s)-4,10-dimethoxy-11-[(2s,4s,5s)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-n-methylformamide
+CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3cccc(c3Cl)Cl	1PP	1-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea
+C[C@@H](CCCN)Nc1cc(cc2c1nccc2)OC	1PQ	(4s)-n~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NCNCC([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)N	1PR	phosphoric acid mono-[5-({[5-carbamoyl-3-(5-phosphonooxy-5-deoxy-ribofuranosyl)- 3h-imidazol-4-ylamino]-methyl}-amino)-2,3,4-trihydroxy-pentyl] ester
+c1cc[n+](cc1)CCCS(=O)(=O)[O-]	1PS	3-pyridinium-1-ylpropane-1-sulfonate
+C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2	1PT	cyclohexane-1(r),2(r)-diamine-platinum(ii)
+c1ccnc(c1)NC(=O)Nc2cccc3c2[C@H]4CCCN4C3=O	1PU	1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-pyridin-2-yl-urea
+B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O	1PV	[4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O	1PW	(2s,3r,4e)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
+CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	1PX	(2s,3r,4e)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
+c1ccc(cc1)CC(=O)C(=O)O	1PY	2-oxo-3-phenylpropionic acid
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O	1PZ	(2s,3r,4e)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
+CCCCCCCCCCCCCC=CC([C@H](COP(=O)(O)O)NC(=O)CCCCCCCC=CCCCCCCCC)O	1Q0	(2s,3r,4z)-3-hydroxy-2-[(9e)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate
+CC(=O)C[C@@H]1CC(=NO1)c2ccc(c(c2)F)O	1Q1	1-[(5s)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one
+[H]/N=C(/C[C@H](CC(=O)C)O)\c1ccc(c(c1)F)O	1Q2	(4r,6z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one
+c1c(cn[nH]1)c2nc3c(c(n2)N[C@H]4CCC[C@H]4C#N)CC=NC3=O	1Q3	(1r,2s)-2-{[8-oxo-2-(1h-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile
+c1nc2c(c(n1)NC3CCCCC3)C=CNC2=O	1Q4	4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7h)-one
+CCC(CC)Nc1cc(nc(c1C)Oc2c(cc(cc2C)C)C)C	1Q5	3,6-dimethyl-n-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
+Cc1cc(nc(c1)N)COC[C@H](CN)OCc2cc(cc(n2)N)C	1Q6	6,6'-{[(2s)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)COC[C@@H](CN)OCc2cc(cc(n2)N)C	1Q7	6,6'-{[(2r)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
+c1ccc(cc1)C(=O)NCO	1Q8	n-(hydroxymethyl)benzamide
+CCOc1c(cc(cc1CNc2[nH]nnn2)C)C	1Q9	n-(2-ethoxy-3,5-dimethylbenzyl)-1h-tetrazol-5-amine
+c1ccc(cc1)[C@@H](C(=O)O)NC(=O)Cc2csc(n2)c3c(cc(cn3)C#N)O	1QA	(2s)-({[2-(5-cyano-3-hydroxypyridin-2-yl)-1,3-thiazol-4-yl]acetyl}amino)(phenyl)ethanoic acid
+CC(=O)NC1=CCC2=C(C1)CC=C2	1QB	n-(4,7-dihydro-1h-inden-6-yl)acetamide
+CCCc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)CSc3nc(cc(n3)N)N	1QC	n-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide
+c1cc2c[n+](ccc2c(c1)I)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1QD	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+[H]/N=C(\Nc1cc(ccc1)CCc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4	1QE	n,n'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide
+[H]/N=C(\c1cccs1)/Nc2ccc(cc2)CCN(CC)Cc3cccc(c3)N/C(=N/[H])/c4cccs4	1QF	n-(4-{2-[ethyl(3-{[(e)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
+Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)[C@H]4COCCN4	1QG	(3s)-3-{4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridin-2-yl}morpholine
+CC(C)[C@@H]([C@H](C[C@@H](Cc1ccccc1)C(=O)O)O)N	1QI	(2r,4s,5s)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid
+c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)CO)F	1QJ	{4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridin-2-yl}methanol
+CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO	1QK	3-[({3-ethyl-5-[(2s)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium
+CO[C@@](C=O)([C@@H]1NC(=C(CS1)COC(=O)N)C(=O)O)NC(=O)Cc2cccs2	1QL	(2r)-5-[(carbamoyloxy)methyl]-2-{(1s)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3OCCNC4	1QM	9-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine
+CNCc1cc(ccn1)c2cn(nc2c3ccc(cc3)F)C	1QN	1-{4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridin-2-yl}-n-methylmethanamine
+c1ccc(cc1)CNc2nccc(n2)c3cccnc3	1QO	n-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine
+CCOC(=O)c1cnn2c1cccc2	1QP	ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
+CC[C@H](C)C(=O)C(=O)O	1QQ	(3s)-3-methyl-2-oxopentanoic acid
+c1cc(ccc1CNC(=O)c2cc3cnccc3[nH]2)S(=O)(=O)N4CCCCC4	1QR	n-[4-(piperidin-1-ylsulfonyl)benzyl]-1h-pyrrolo[3,2-c]pyridine-2-carboxamide
+c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F	1QS	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide
+CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCCC(=O)N4)O	1QT	(3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one
+c1ccc(cc1)C[C@@H]([C@@H](CNCc2cccc(c2)C(F)(F)F)O)NC(=O)C3=CN(C(=O)C(=C3)N4CCCC4=O)C5CCCC5	1QU	1-cyclopentyl-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide
+c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F	1QV	4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide
+CCCCCCCCCCCC(=O)OC[C@@H](CO)O	1QW	(2r)-2,3-dihydroxypropyl dodecanoate
+CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O	1QX	dodecyl hydrogen (s)-(3-azidopropyl)phosphonate
+CCCCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])O	1QY	tetradecyl hydrogen (r)-(3-azidopropyl)phosphonate
+CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3cccc4c3ccnc4	1QZ	6-ethyl-5-{(3s)-3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3cccc4c3ccnc4	1R0	6-ethyl-5-{3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
+CCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O	1R1	hexadecyl hydrogen (r)-(3-azidopropyl)phosphonate
+c1cc(cc(c1)Oc2cc(cc(c2)O)C(=O)O)[N+](=O)[O-]	1R2	3-hydroxy-5-(3-nitrophenoxy)benzoic acid
+CCCCCCCCCS(CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)(O)O	1R3	n-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1cc(ccc1C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	1R4	l-gamma-glutamyl-s-[2-(4-nitrophenyl)-2-oxoethyl]-l-cysteinylglycine
+c1cc(ccc1c2ccc3c(c2)NC(=O)C(=C3)O)F	1R5	7-(4-fluorophenyl)-3-hydroxyquinolin-2(1h)-one
+CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCN6C=C(C=CC6=O)C(=O)N4)O	1R6	(12s)-12-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione
+c1cc(ccc1CNC(=O)n2cc3ccncc3c2)S(=O)(=O)C4CCN(CC4)C5CCOCC5	1R7	n-(4-{[1-(tetrahydro-2h-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2h-pyrrolo[3,4-c]pyridine-2-carboxamide
+CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCC(=O)N4)O	1R8	(3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one
+Cc1ccc(cc1NC(=O)c2cnc(s2)c3ccccc3Cl)C(=O)NC4CC4	1R9	2-(2-chlorophenyl)-n-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
+CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4	1RA	ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1h-indole-1-carboxylate
+c1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	1RB	1-alpha-d-ribofuranosyl-benzimiazole-5'-phosphate
+CCNC(=O)[C@H]1c2ccccc2CN1C(=O)c3cc(c(cc3O)O)Cl	1RC	(1r)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-n-ethyl-2,3-dihydro-1h-isoindole-1-carboxamide
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NCCCCNC(=O)OCc2cncs2	1RD	n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-l-valinamide
+CC(C)CCOc1cc(ccc1C#N)Nc2nc(nc(n2)OCCN3CCOCC3)OC	1RE	4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile
+C(COCCO[V](O)(O)(O)O)O	1RF	vanadium(5+) hydroxide 2-(2-hydroxyethoxy)ethanolate (1:4:1)
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@H](C=O)[C@@H](C)O	1RG	(4r,5s)-3-({(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid
+C[C@@H](C(=O)N[C@H]1CN(c2ccccc2N(C1=O)Cc3c4ccccc4ccc3OC)C(=O)c5ccc(cc5)N)NC	1RH	n-{(3s)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepin-3-yl}-n~2~-methyl-l-alaninamide
+c1ccc(cc1)Oc2cccc(c2)C(=O)N/N=C/c3ccc(o3)Sc4ncccn4	1RI	3-phenoxy-~{n}-[(~{e})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
+C[C@@H](C(=O)N[C@@H]1C(=O)N(c2ccccc2OC13CCOCC3)Cc4c5ccc(cc5ccc4OC)C(=O)O)NC	1RK	6-methoxy-5-({(3s)-3-[(n-methyl-l-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5h-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid
+CCN(CC)CCOc1cccc2c1N=C3c4c5c(c(c6c4C(=O)[C@](O6)(O/C=C/C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C3O2)C5=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O	1RL	benzoxazinorifamycin-2b
+Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C5C3=Nc6c(cccc6OCCCCN7CCN(CC7)CCn8ccnc8)O5)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O	1RM	benzoxazinorifamycin-2c
+C1=C(C(=O)NC(=S)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/C=N/CC(=O)O	1RN	(e)-n-{[4-oxo-1-(5-o-phosphono-beta-d-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methylidene}glycine
+c1cc2cc(ccc2nc1)/C=C/3\C(=O)N=C(S3)NCc4cccs4	1RO	(5e)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5h)-one
+C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N)F	1RP	6-fluoro-3-oxo-4-(5-o-phosphono-beta-d-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide
+c1ccc2cc(ccc2c1)c3nc4ccc(cc4n3c5ccnc(n5)N[C@@H]6CCCN(C6)C(=O)C7CC7)O	1RQ	cyclopropyl[(3r)-3-({4-[6-hydroxy-2-(naphthalen-2-yl)-1h-benzimidazol-1-yl]pyrimidin-2-yl}amino)piperidin-1-yl]methanone
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)O)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)NC(C)(C)C	1RR	n-(tert-butylcarbamoyl)-3-methyl-l-valyl-(4r)-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-prolinamide
+c1c[nH]c2c1c3c(cn2)ncn3C4CCNCC4	1RS	1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
+C1=C(C(=NC(=O)N1)N)C(=O)O	1RT	4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid
+C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2c3c(cnc2N)c(co3)c4cnn(c4)C5CCNCC5	1RU	7-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine
+c1csc(c1C(=O)N)NC(=O)CSc2[nH]ncn2	1RV	2-{[(1h-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F	1RY	[[(2r,5s)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	1RZ	lamivudine triphosphate
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	1S0	4-amino-1-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-l-erythro-pentofuranosyl}pyrimidin-2(1h)-one
+CCC(CC)(C#N)Nc1nc(nc(n1)n2cncn2)NC	1S1	2-ethyl-2-{[4-(methylamino)-6-(1h-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile
+Cc1c(c(nn1C)c2cc(nc(n2)N)Cl)Cc3ccccc3	1S2	4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine
+C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OP(=O)(O2)O)O)O)O	1S3	(2r,3ar,5r,6s,7s,7ar)-5-(hydroxymethyl)tetrahydro-3ah-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N	1S4	alpha-muramic acid
+CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N	1S5	5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium
+Cc1c(c(no1)c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	1S6	(2r,4s)-5,5-dimethyl-2-[(1r)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid
+CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)Cc2cccs2	1S7	(2r)-2-{(1s)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+COc1cc2c(cc1O)nc(nc2Nc3ccc(cc3)NC(=O)c4ccccc4)Cc5ccccc5	1S8	n-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide
+COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4	1S9	[(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid
+c1(nnc(s1)S(=O)(=O)N)N	1SA	5-amino-1,3,4-thiadiazole-2-sulfonamide
+COc1cccc(c1)CC(=O)N/N=C/c2ccc(cc2)O	1SB	n'-[(1e)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)S)O)O	1SC	5'-o-thiophosphonocytidine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)O)O)O)O	1SD	(1s)-1,5-anhydro-1-sulfamoyl-d-galactitol
+c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O	1SE	n-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide
+c1cc(cc(c1)[N+](=O)[O-])N2CCC(=O)NC2=O	1SF	1-(3-nitrophenyl)dihydropyrimidine-2,4(1h,3h)-dione
+COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O	1SG	n-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide
+CNCCOP(=O)(O)O	1SH	2-(methylamino)ethyl dihydrogen phosphate
+c1ccnc(c1)Sc2ccc(o2)/C=N/NC(=O)c3cccc(c3)F	1SI	3-fluoranyl-~{n}-[(~{e})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
+[H]/N=C(\N)/N[C@H]1C=C(C[C@H]([C@@H]1NC(=O)C)OC(CC)CC)C(=O)O	1SJ	(3s,4r,5r)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CCCO)C(=O)O	1SL	(3s,4r,5r)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1h-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)C	1SM	methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate
+CC[C@H](c1cn(nn1)[C@H]2C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O)O	1SN	(3s,4r,5r)-4-(acetylamino)-3-{4-[(1r)-1-hydroxypropyl]-1h-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)C(C)(C)O)C(=O)O	1SO	(3s,4r,5r)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1h-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+CCC[C@@H](CO)O	1SP	(2s)-pentane-1,2-diol
+c1ccc2c(c1)ccnc2N	1SQ	isoquinolin-1-amine
+CC(=C)[C@H]1CC[C@]2(CCC[NH+]([C@@H]2C1)C)C	1SS	(1r,4as,7s,8ar)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccc(cc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)O)NC)OC	1ST	(5s,6r,7r,9r)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5h,14h-5,9-epoxy-4b,9a,15-triazadibenzo[ b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
+c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5	1SU	n-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide
+CC(=C)[C@H]1CC[C@]2(CCC[NH+]=C2C1)C	1SV	(4as,7s)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium
+c1cc(cc(c1)NC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5)C(F)(F)F	1SW	n-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide
+CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3n2CCS3	1SX	4-tert-butyl-n-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N	1SY	cgamp
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCCN(C)C)C	1SZ	n-[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxamide
+CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4	1T4	n-(pyren-1-yl)acetamide
+[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cc(cc(c3)NC(=O)CC(C)C)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)\N	1T5	3'-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid
+[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cccc(c3)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)\N	1T6	5-aminocarbonyl-2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]phenyl]benzoic acid
+[H]/N=C(\c1ccc2c(c1)[C@H](C[C@H](N2)c3cc(cc(c3)N)c4ccccc4C(=O)O)c5ccccc5)/N	1T7	3'-amino-5'-[(2s,4r)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid
+CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccnc4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	1T8	methyl [(2s)-1-(2-{3-[(3r,6s,10z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCC)O	1T9	(2s,3r,4e)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate
+C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O	1TA	triamcinolone acetonide
+Cc1nc(nc(n1)OC)N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC	1TB	methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate
+Cc1ncc(o1)C(=O)Nc2ccc(c(c2)Cl)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC	1TC	n-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide
+c1ccc2c(c1)/C(=C\c3cccc(c3)C(=O)O)/C(=O)N2	1TD	3-[(e)-(2-oxidanylidene-1h-indol-3-ylidene)methyl]benzoic acid
+C[C@@H]1[C@@H]2[C@H](C(=O)N2[C@H]([C@@H]1SC3CN(C3)c4nccs4)C(=O)O)[C@@H](C)O	1TE	tebipenem
+c1ccc(cc1)C2=NNC(=S)N2CCSCc3ccc(cc3)F	1TH	4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1h-1,2,4-triazole-5-thione
+Cc1cc2c(c(c1)O)C3=C(C(=O)C2)C(=O)c4c(cccc4O)C3=O	1TJ	1,8-dihydroxy-3-methyltetraphene-6,7,12(5h)-trione
+C[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	1TL	1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione
+c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3)O)O	1TM	4,4'-(3-amino-1h-pyrazole-4,5-diyl)diphenol
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-]	1TN	5-hexyl-2-(2-nitrophenoxy)phenol
+Cc1ncc(c(n1)N)C[N@@]2C([C@@H](S[C@@H]2[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O)C	1TP	1-(2-{(2s,4r,5r)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1s)-1-carboxy-1-hydroxyethyl]-4-methyl-1,3-thiazolidin-5-yl}ethoxy)-1,1,3,3-tetrahydroxy-1lambda~5~-diphosphox-1-en-2-ium 3-oxide
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NC=O	1TQ	6-(formylamino)-7-hydroxy-l-tryptophan
+CN(C)Cc1ccn2c(c1)nc(c2c3ccnc(n3)N)c4ccc(cc4)F	1TR	4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)NCc3ccc(cc3)C#N)NS(=O)(=O)c4ccc(c(c4)Cl)OC)\N	1TS	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2s)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide
+C[C@@H]1COCCN1C2=NC3N(CC[C@H](N3Cc4cc(cnc4)Cl)C(F)(F)F)C(=O)C2	1TT	(8s)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3r)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3h-pyrimido[1,2-a]pyrimidin-4-one
+Cc1nc(c(n1C)O)Cc2cc(c(c(c2)F)O)F	1TU	4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1h-imidazol-5-ol
+C[Se][C@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O	1TW	2-amino-9-(2-se-methyl-5-o-phosphono-2-seleno-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one
+COC(=O)CCCC[C@@H](C(=O)O)N	1TX	(2s)-2-amino-7-methoxy-7-oxoheptanoic acid
+c1ccc(cc1)CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N	1TY	3-{(3e)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}alanine
+Cc1cc(c(c(c1)C)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C	1TZ	(2s)-2-azanyl-3-(3h-indol-3-yl)-n-[(e)-(2,4,6-trimethylphenyl)methylideneamino]propanamide
+Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](CO)O)CCOP(=O)(O)OP(=O)(O)O	1U0	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate
+c1c(c(sc1Cl)C(=O)O)S(=O)(=O)N	1U1	5-chloro-3-sulfamoylthiophene-2-carboxylic acid
+[H]/N=C(/c1ccc2cc(ccc2c1)NC(=O)Nc3ccccc3)\N	1U2	6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide
+Cc1c(c(no1)c2ccccc2Cl)C(=O)NCC(=O)O	1U3	n-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)N[P@](=O)(CNC(=O)OCc2ccccc2)O	1U4	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-phenylalanyl-l-leucine
+C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)O	1U5	(1r,4s)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
+CCN1C(=O)CC(=O)N(C1=S)CC	1U6	1,3-diethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
+c1ccc(cc1)[C@]2(CCN[C@@H]3[C@@H]2CCCC3)O	1U7	(4r,4as,8as)-4-phenyldecahydroquinolin-4-ol
+Cc1cccc(c1C(=O)OCC(=O)[C@H](CC(=O)O)N)C	1U8	(3s)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid
+[H]/N=C(/c1ccc2cc(ccc2c1)/C=C/c3cccc(c3)CCO)\N	1U9	6-{(e)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide
+Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2	1UA	2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4h-cyclopenta[d]pyrimidin-4-one
+C(=C/C(=C(/C(=O)O)\N)/C(=O)O)C=O	1UC	(2e)-2-amino-3-[(1e)-3-oxoprop-1-en-1-yl]but-2-enedioic acid
+CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)OC)N=C(NC3=O)N	1UD	methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-3-o-methyl-beta-d-ribo-hexofuranoside
+c1ccc(cc1)Sc2cccc3c2c4c([nH]3)N=C(NC4=O)N	1UE	2-amino-5-(phenylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-b]indol-4-one
+Cc1c(c2c([nH]1)N=C(NC2=O)N)Sc3ccc(c(c3)Cl)C(=O)NC(CCC(=O)O)C(=O)O	1UF	n-{4-[(2-amino-6-methyl-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chlorobenzoyl}-l-glutamic acid
+c1ccc2c(c1)cccc2Sc3cccc4c3c5c([nH]4)N=C(NC5=O)N	1UG	2-amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-b]indol-4-one
+c1cc2ccsc2c(c1)c3cc4c(cnc(c4o3)N)c5cnn(c5)C6CCNCC6	1UH	2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine
+CC(=O)Nc1nc2ccc(cc2s1)C(=O)OC	1UJ	methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate
+CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F	1UK	n-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide
+CC(=O)N1CCC(CC1)n2cc(cn2)c3cnc(c4c3cc(o4)c5cccc6c5snn6)N	1UL	1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1h-pyrazol-1-yl}piperidin-1-yl)ethanone
+Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O	1UN	2-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl sulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide
+c1cc(c2c(c1)nns2)c3c(c4c(cnc(c4o3)N)c5cnn(c5)C6CCC(CC6)O)Cl	1UO	trans-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1h-pyrazol-1-yl}cyclohexanol
+[H]/N=C(/c1ccc2ccc(c(c2c1)OCC(=O)N)OC)\N	1UP	2-[(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxy]acetamide
+CN(C(=O)CS[C@@H](c1ccccc1)P(=O)(O)O)O	1UQ	[(s)-({2-[hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)O	1UR	4-(4-oxo-4h-chromen-2-yl)benzoic acid
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2Cl	1US	2-(2-chloranylphenoxy)-5-hexyl-phenol
+CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2	1UT	2-[4-(dimethylamino)phenyl]-4h-chromen-4-one
+c1c2c(c3c(c1F)N4CC[C@H]([C@H]4COC3)N)N(C=C(C2=O)C(=O)O)C5CC5	1UV	(3as,4r)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1h,3h-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid
+CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2	1UW	ethyl 4-(4-oxo-4h-chromen-2-yl)benzoate
+CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3nc(cc(n3)N)N	1UX	1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N	1UZ	4-(4-oxo-4h-chromen-2-yl)benzonitrile
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-]	1V0	2-(4-nitrophenyl)-4h-chromen-4-one
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Cl	1V1	2-(4-chlorophenyl)-4h-chromen-4-one
+c1cc(ccc1CCN2CC[C@@H](C[C@@H]2CO)O)Nc3nc(cs3)c4ccc(c(c4)Cl)Cl	1V2	(2r,4s)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol
+c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)Cl	1V3	6-chloro-2-phenyl-4h-chromen-4-one
+c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)F	1V4	6-fluoro-2-phenyl-4h-chromen-4-one
+c1cc(ccc1C2(CC2)NC(=O)c3ccc4c(c3)n5ccnc5c(n4)NC6CCC(CC6)O)F	1V5	n-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide
+c1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N	1V6	4-(4-benzylphenyl)-1,3-thiazol-2-amine
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc4c(c3)OCO4	1V8	2-(1,3-benzodioxol-5-yl)-4h-chromen-4-one
+CC[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1V9	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-phenylpropyl]propanamide
+c1ccc(cc1)C[C@@H](CO)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1VA	n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
+C[C@@H](c1ccc(cc1)S(=O)(=O)N)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1VB	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(4-sulfamoylphenyl)ethyl]propanamide
+COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1VC	methyl n-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-l-phenylalaninate
+C[C@@H](c1ccc(cc1)n2ccnc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3	1VD	n-{(1s)-1-[4-(1h-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
+c1ccc2c(c1)[nH]c(n2)COc3cccc(c3)C(=O)c4c(non4)N	1VE	(4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1h-benzimidazol-2-ylmethoxy)phenyl]methanone
+CN1CCN(CC1)C(=O)c2ccc(cc2)C3=CC(=O)c4ccccc4O3	1VF	2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4h-chromen-4-one
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)c4[nH]nnn4	1VG	2-[4-(1h-tetrazol-5-yl)phenyl]-4h-chromen-4-one
+COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC	1VI	3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{h}-imidazol-5-yl]pyridin-2-yl]propanamide
+CCOC(=O)COc1cccc(c1)C(=O)c2c(non2)N	1VJ	ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate
+c1ccc(cc1)C(=O)c2c(non2)N	1VK	(4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone
+c1ccc2c(c1)[C@@H](C(=O)N2CN3CCN(CC3)Cc4ccc5c(c4)OCO5)O	1VL	(3s)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2h-indol-2-one
+Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N	1VM	7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
+Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4cc5c(cc4Cl)c(nc(n5)N)N	1VN	6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
+Cc1cc2c(cc1C)n(c(n2)c3cscn3)c4ccc5c(c4)nc(nc5N)N	1VO	7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
+CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc1ccccc1	1VP	n-(phenylacetyl)glycyl-n~6~-acetyl-l-lysine
+Cc1ncc(n1CCOS(=O)(=O)N)[N+](=O)[O-]	1VQ	2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl sulfamate
+CC(C)[C@@H](CC(=O)O)N	1VR	(3r)-3-amino-4-methylpentanoic acid
+CCNC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4	1VS	n-ethyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide
+c1ccc(cc1)CNCCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4	1VT	n-benzyl-2-[(n-benzyl-beta-alanyl)amino]-4-phenylthiophene-3-carboxamide
+CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	1VU	propionyl coenzyme a
+c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O	1VV	(1s,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
+c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5c6[nH]nnn6	1VW	2-{[(1s)-2-{[(1r,2s)-2-(1h-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1h-isoindole-1,3(2h)-dione
+Cc1cccc2c1CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O	1VX	(1s,2r)-2-{[(1s)-5-methyl-1-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
+CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O	1VY	1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl)-d-ribitol
+c1cc(ccc1CCN2CCCC2)N3CCC(CC3)N4CCCC4	1VZ	4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine
+c1cc(cc(c1)[C@]23CCOC[C@H]2OC(=N3)N)c4cncnc4	1W0	(3as,7ar)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4h-pyrano[4,3-d][1,3]oxazol-2-amine
+c1cc(c(nc1)N2CC[C@]3([C@@H](C2)OC(=N3)N)c4ccc(cc4F)F)C#N	1W1	2-[(3ar,7ar)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4h)-yl]pyridine-3-carbonitrile
+c1cc(c(nc1)N2CC[C@@H]3[C@](C2)(N=C(O3)N)c4ccc(cc4F)F)C#N	1W2	2-[(3as,7ar)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4h)-yl]pyridine-3-carbonitrile
+Cc1cc(cc(c1O)C)/C=C/C2=C(c3ccc(cc3OC2=O)O)C	1W3	7-hydroxy-3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2h-chromen-2-one
+Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)Sc3ccc(cc3)F	1W4	s-(4-fluorophenyl) 3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate
+c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	1W5	(1r)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol
+CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2	1W6	ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate
+Cc1ccc(cc1)CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C	1W7	n-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide
+CCO/N=C(/c1nc(sn1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Sc4nc(cs4)c5cc[n+](cc5)C)C(=O)O	1W8	ceftaroline
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](CO)C(=O)O)O	1W9	(2r)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid
+c1c[n+]-2c(nc([nH]c2[n+]1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)O	1WA	2-amino-8-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroxy-1h-imidazo[1,2-a][1,3,5]triazine-5,8-diium
+COc1cc(cc(c1)C(=O)O)C(=O)O	1WB	5-methoxybenzene-1,3-dicarboxylic acid
+Cc1c(cn[nH]1)c2ccccc2Cl	1WC	4-(2-chlorophenyl)-5-methyl-1h-pyrazole
+c1cc(c(nc1)C(=O)O)S	1WD	3-sulfanylpyridine-2-carboxylic acid
+C[C@@H](Cc1ccccc1)N	1WE	(2s)-1-phenylpropan-2-amine
+C[C@@H](Cc1ccc(cc1)O)NC	1WF	4-[(2s)-2-(methylamino)propyl]phenol
+C1=C(C(=O)C=C(C1=O)O)O	1WG	2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
+Cc1c(c(c2c(n1)CN(C2=O)CCOC)c3ccc(cc3Cl)Cl)CN	1WH	3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5h-pyrrolo[3,4-b]pyridin-5-one
+CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)O)N=C(NC3=O)N	1WJ	methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-2-o-methyl-beta-d-ribo-hexofuranoside
+CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)O)N=C(NC3=O)N	1WK	methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-beta-d-ribo-hexofuranoside
+c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)NO	1WL	nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n-hydroxy-l-histidinamide
+c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H]([C@H](c3ccc(cc3)O)O)C(=O)NO	1WM	(betas)-nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n,beta-dihydroxy-l-tyrosinamide
+C[C@](c1ccc(cc1)O)([C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#Cc3ccc(cc3)N)O	1WN	(betas)-nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n,beta-dihydroxy-beta-methyl-l-tyrosinamide
+CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C	1WO	(5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione
+c1cc(cc(c1)[C@]23CCCC[C@H]2OC(=N3)N)c4cc(cnc4)Cl	1WP	(3ar,7ar)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine
+C[C@H]1C(=O)Nc2cc(ccc2O1)CN3CCC(=CC3)c4ccc(cc4)Cl	1WQ	(2s)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2h)-yl]methyl}-2-methyl-2h-1,4-benzoxazin-3(4h)-one
+c1cc(cc(c1)F)Nc2c-3c(n[nH]2)CCc4c3[nH]nc4C(=O)NCCCN	1WS	n-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide
+CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCOC4=CC=[N](c5c4cccc5)O)C	1WT	11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one
+B1(c2cc(ccc2CO1)Oc3ccc(cc3F)CN)O	1WU	6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3h)-ol
+CCCCCCC=CCCCCCC(=O)OC[C@H](CO)O	1WV	(2s)-2,3-dihydroxypropyl (7z)-tetradec-7-enoate
+c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)I	1WW	{5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2F)F)Br)F)F	1WX	{2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
+CCC(=O)Nc1ccc(c(c1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl)OC	1WY	n-(3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide
+Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)O	1WZ	3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid
+C=CCCCC[C@@H](C(=O)O)N	1X0	(2s)-2-aminooct-7-enoic acid
+c1ccc2c(c1)CCN(C2)C(=O)O	1X1	3,4-dihydroisoquinoline-2(1h)-carboxylic acid
+c1ccc(cc1)CCCCCCN=C=S	1X2	6-isothiocyanatohexylbenzene
+c1ccc2c(c1)CCN(C2)C(=O)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CCCCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCC6)C(=O)NS(=O)(=O)C7CC7	1X3	(2r,6s,13ar,14ar,16as)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1h)-carboxylate
+C1C[C@H](O[C@@H]1COP(=O)(O)O)O	1X4	2,3-dideoxy-5-o-phosphono-alpha-d-ribofuranose
+CN(Cc1cccnc1)c2ccc(c(c2)C(=O)O)NC(=O)C3CC3	1X5	2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
+C([C@@H](C(=O)O)N)OC(=O)/C=C/N	1X6	o-[(2e)-3-aminoprop-2-enoyl]-l-serine
+c1c2c(c(cnc2N)C(=O)N)sc1Br	1X7	4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide
+c1c2c(c(cnc2N)C(=O)N)sc1C(=O)N	1X8	4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide
+C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N	1X9	cerulenin
+Cc1c(c(on1)N)c2ccccc2	1XA	3-methyl-4-phenyl-1,2-oxazol-5-amine
+Cc1c(sc-2c1C(=N[C@H](c3c2c(no3)C)CC(=O)N)c4ccc(cc4)Cl)C	1XB	2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide
+c1cc(ccc1CNC(=O)c2ccc3n(c2)cc[n+]3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)S(=O)(=O)c5cc(cc(c5)F)F	1XC	6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium
+c1cc(ccc1CNC(=O)c2ccn3ccnc3c2)S(=O)(=O)c4cc(cc(c4)F)F	1XD	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide
+CC(C)(COP(=O)(O)OP(=O)(O)OCc1c(c(c(o1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N/C=C/SCC(O)O)O	1XE	[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3r)-4-{[3-({(e)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
+c1ccc(c(c1)C(=O)O)NC(=O)CSC(=O)N	1XF	2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid
+C/C=C/C/C=C/CCC(=O)[C@@H](CC(=O)N)O	1XG	(3r,7e,10e)-3-hydroxy-4-oxododeca-7,10-dienamide
+C[C@@H]1CC[C@]2([C@@H]([C@@]1(C)CC3=CC(=O)C=CC3=O)CCCC2=C)C	1XH	2-{[(1s,2r,4as,8ar)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione
+CC(=O)N[C@H]1CN\2[C@H](CS/C2=N\Cc3ccccc3)[C@H]([C@@H]1O)O	1XI	~{n}-[(3~{z},6~{s},7~{r},8~{r},8~{a}~{s})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide
+CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C	1XJ	4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-[(4-{[(2r)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide
+C1=C(N=C2C(=O)NC(=O)N=C2N1C[C@H]([C@@H]([C@@H](CO)O)O)O)CO	1XL	1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl]-d-arabinitol
+c1c2c([nH]n1)NC(=S)N=C2N	1XM	4-amino-1,7-dihydro-6h-pyrazolo[3,4-d]pyrimidine-6-thione
+c1ccc2c(c1)c([nH]c2N)N	1XN	2h-isoindole-1,3-diamine
+c1ccc(cc1)CCC(=O)N(Cc2cccs2)CC3=Nc4ccccc4C(=O)N3	1XO	n-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-n-(thiophen-2-ylmethyl)propanamide
+COc1cc(c(cc1C(=O)NCCN2CCC(CC2)C(=O)c3ccc(cc3)F)C#N)Cl	1XP	4-chloro-5-cyano-n-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide
+c1cc(sc1)CN(CC2=NC3=C(COCC3)C(=O)N2)C(=O)CN4CCC(CC4)C(=O)c5ccc(cc5)F	1XQ	2-[4-(4-fluorobenzoyl)piperidin-1-yl]-n-[(4-oxo-3,5,7,8-tetrahydro-4h-pyrano[4,3-d]pyrimidin-2-yl)methyl]-n-(thiophen-2-ylmethyl)acetamide
+c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)F	1XS	5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid
+Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccc(cc3)OCc4ccc(cc4)c5ccc(o5)C(=O)O	1XT	5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1h-pyrazole-3-carboxylic acid
+c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4ccnn4c5ccc(c(c5)Cl)Cl	1XU	5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1h-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid
+c1cc(ccc1C2=C(COCC2)CN3CCN(CC3)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NC6CCOCC6)Cl	1XV	4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2h-pyran-3-yl]methyl}piperazin-1-yl)-n-{[3-nitro-4-(tetrahydro-2h-pyran-4-ylamino)phenyl]sulfonyl}benzamide
+C1[C@@H]2C[C@@H]2N3[C@H]1CN[C@@H](C3)C(=O)O	1XW	(1as,4s,6ar,7as)-octahydro-1h-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxylic acid
+C[C@@H]1C(=O)C(=C(O1)C)O	1XX	(2r)-4-hydroxy-2,5-dimethylfuran-3(2h)-one
+c1ccc2c(c1)[C@@H](CCO2)N	1XY	(4r)-3,4-dihydro-2h-chromen-4-amine
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3C[C@@H]4C[C@@H]4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC	1Y0	(4s,6ar,7as)-5-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]octahydro-1h-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide
+CN(C)CCOc1cccc(c1CN2CCN(CC2)c3ccc(c(c3)Oc4ccc5c(c4)cc[nH]5)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])NCC7CCOCC7)c8ccc(cc8)Cl	1Y1	4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1h-indol-5-yloxy)-n-({3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide
+C1CC(CCC1[C@@H](C(=O)O)N)(F)F	1Y2	(2s)-amino(4,4-difluorocyclohexyl)ethanoic acid
+CCO[C@@H]1C[C@@H]2CN[C@@H](CN2C1)C(=O)O	1Y3	(3s,7r,8ar)-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
+C1C[C@@H]2CN[C@@H](CN2C1)C(=O)O	1Y4	(3s,8ar)-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
+c1ccc2c(c1)CCC[C@H]2N	1Y5	(1r)-1,2,3,4-tetrahydronaphthalen-1-amine
+c1cc(ccc1C(=O)O)F	1Y6	4-fluorobenzoic acid
+C([C@@H]([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O)O	1Y7	(2r,3r,4s,5r,6s)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate
+C[As](C)(C)CCO	1Y8	2-(trimethyl-lambda~5~-arsanyl)ethanol
+CC(=CC[C@]1(C=C(C[C@@H]1O)CO)C=O)C	1Y9	vibralactone, bound form
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O	1YA	n-{4-[{[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-l-glutamic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O)N	1YC	2-amino-9-[(1r,3r,6r,8r,9r,11s,14r,16r,17r,18r)-16-(6-amino-9h-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6h-purin-6-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]4[C@@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N	1YD	2-amino-9-[(2r,3r,3ar,5s,7as,9r,10r,10ar,12r,14as)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6h-purin-6-one
+Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O	1YE	(5,6-dimethyl-9-oxo-9h-xanthen-4-yl)acetic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O	1YF	 [(2r,3r,4s,5s,6r)-4-formamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+C[C@@H](c1ccccc1)C(=O)Nc2ncc(s2)SCc3ncc(o3)C(C)(C)C	1YG	(2s)-n-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC	1YH	(3s,8ar)-n-((r)-chroman-4-yl)-2-((s)-2-cyclohexyl-2-((s)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N	1YJ	n-[4-({[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)c5cc(c(c(c5)OC)OC)OC)O)(C(=O)C=CC3(C)C)C)O	1YK	territrem b
+Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OC[C@@H]4C	1YL	dihydrotanshinone i
+CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C(=O)O)c3nc(cs3)C(F)(F)F	1YM	6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid
+CC[C@@H](C)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl	1YN	2-[(2r)-butan-2-yl]-4-{4-[4-(4-{[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3h-1,2,4-triazol-3-one
+Cc1ccccc1CSc2nncn2N	1YO	3-[(2-methylbenzyl)sulfanyl]-4h-1,2,4-triazol-4-amine
+CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C3=NNC(=O)O3)c4nc(cs4)C(F)(F)F	1YP	1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea
+c1cc(cc(c1)Oc2ccc(cc2OCCN3C=CC(=O)NC3=O)Cl)/C=C/C#N	1YQ	(2e)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Br)/C=C/C#N	1YR	(2e)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F	1YS	(1r,3s,4s,5r)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide
+CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)O[C@H](COC)C(F)(F)F	1YT	(1r,3s,4s,5r)-3-(4-amino-3-fluoro-5-{[(2r)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}benzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide
+CC(C)(C)c1cccc(c1)CN[C@H]2C[S@@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F	1YU	(1s,3s,4s,5r)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide
+C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N	1YV	n-[(2r)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide
+CC(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CCCC3	1YW	n-({(5s)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)acetamide
+CC(C)S(=O)(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CC[C@@H](C3)NC(=O)C	1YX	n-[(3s)-1-{2-fluoro-4-[(5s)-5-{[(propan-2-ylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}pyrrolidin-3-yl]acetamide
+C[C@H]1COCCN1C[C@H]2CN(CCN2c3ccc(cc3)[C@](C)(C(F)(F)F)O)S(=O)(=O)c4cccs4	1YY	(2r)-1,1,1-trifluoro-2-{4-[(2s)-2-{[(3s)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol
+CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N	1YZ	4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)c1nc2ccc(cc2s1)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)NC	1Z0	n-methyl-d-phenylalanyl-n-{(1s)-4-carbamimidamido-1-[(6-carboxy-1,3-benzothiazol-2-yl)carbonyl]butyl}-l-prolinamide
+CC[C@H](C)CNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=S)NC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N(C)C)O	1Z1	n-(dimethylsulfamoyl)-l-phenylalanyl-n-[(1s,2s)-2-hydroxy-4-{[(2s)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-n~6~-(methylcarbamothioyl)-l-lysinamide
+Cc1c(c[nH]n1)c2ccc(cc2)F	1Z6	4-(4-fluorophenyl)-3-methyl-1h-pyrazole
+CC(C)C[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC	1Z7	n-(3-methylbutanoyl)-l-valyl-n-{(1s)-1-[(r)-[(1r)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-l- valinamide
+c1ccc(cc1)c2c[nH]nc2C(F)(F)F	1Z8	4-phenyl-3-(trifluoromethyl)-1h-pyrazole
+c1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)CN	1ZB	n-[(1s)-1-benzyl-3-diazen-1-iumylidene-2-oxopropyl]glycinamide
+COc1cccc(c1)C(=O)c2c(non2)N	1ZC	(4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone
+CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C	1ZD	n-{(2s)-2-[(n-acetyl-l-threonyl-l-isoleucyl)amino]hexyl}-l-norleucyl-l-glutaminyl-n~5~-[amino(iminio)methyl]-l-ornithinamide
+CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O	1ZG	n-(3-carboxypropanoyl)-l-valyl-n-{(1r)-1-[(s)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-l-prolinamide
+CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@H](C(C)C)[C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)COc4cccc5c4cccc5)O)O	1ZK	4-[(2r)-3-{[(1s,2s,3r,4s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1s,2r)-2-methyl-1-[(pyridin-2-ylmethyl)carba moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1h-imidazol-3-ium
+C[C@@H](C=C(C)/C=C/[C@@H]([C@H](C)C(=O)O)N)[C@H](Cc1ccccc1)OC	1ZN	(2s,3s,4e,6e,8s,9s)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
+c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F	1ZQ	5,6-bis(4-fluorophenyl)pyridine-2,3-diol
+CC(=O)N[C@@H](CS)C(=O)O	1ZT	n-acetyl-l-cysteine
+c1ccc(cc1)CC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)[C@H](NCCCCCCC[C@H](N2)O)O)CCCNC(=[NH2+])N	1ZV	amino({3-[(3r,5r,14s,16s,21ar)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1h-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium
+c1cc(ccc1CNC=S)C#N	1ZW	n-[(4-cyanophenyl)methyl]methanethioamide
+CCCCCCCCCCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	1ZZ	5'-o-[(s)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine
+c1cc(ccc1C[C@@H](C(=O)O)N)Cl	200	4-chloro-l-phenylalanine
+c1ccc(cc1)c2ccc(cc2)c3cc(cc(c3)C(=O)O)C(=O)N	201	3-amido-5-biphenyl-benzoic acid
+OBr(=O)=O	202	bromic acid
+c1[nH]c2c(n1)NS(=O)(=O)NC2=O	203	1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4(3h)-one 2,2-dioxide
+CCOC(=O)c1cnc(nc1O)N	204	2-amino-4-hydroxypyrimidine-5-carboxylic acid ethyl ester
+c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl	205	2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
+c1c2c(c(nc1N)OCC3CCCCC3)nc[nH]2	207	1-amino-6-cyclohex-3-enylmethyloxypurine
+CCO[C@@H](Cc1ccc2c(c1)ccn2Cc3c(oc(n3)c4ccccc4Cl)C)C(=O)O	208	(2s)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1h-indol-5-yl)-2-ethoxypropanoic acid
+CN1c2c(nc([nH]2)N)C(=O)N(C1=O)C	209	8-amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione
+CCn1c2c(cn1)c(c(cn2)C(=O)NCc3ccccc3)NC4CCOCC4	20A	1-ethyl-n-(phenylmethyl)-4-(tetrahydro-2h-pyran-4-ylamino)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
+c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O	20B	2-(3-hydroxyphenyl)-4h-chromen-4-one
+Cc1cccc2c1C(=O)N(C2=O)c3ccc(c(c3)O)C(=O)O	20C	2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzoic acid
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)F	20D	2-(4-fluorophenyl)-4h-chromen-4-one
+C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O	20E	(2beta,3beta,5beta,22r)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one
+c1cc(ccc1c2[nH]nnn2)C3=C(C=C(C(=O)N3)O)c4ccc(cc4)F	20F	5-(4-fluorophenyl)-3-hydroxy-6-[4-(1h-tetrazol-5-yl)phenyl]pyridin-2(1h)-one
+c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)NC(=O)CCCS	20G	n-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide
+c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)C(=O)NCCS	20H	1-[(2,4-dichlorophenoxy)acetyl]-n-(2-sulfanylethyl)piperidine-4-carboxamide
+CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl	20J	7-chloro-3-methyl-2h-1,2,4-benzothiadiazine 1,1-dioxide
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)Cl)N(C)C	20K	2-chloro-n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n~1~,n~1~-dimethylbenzene-1,4-diamine
+c1ccc(cc1)Oc2ccc(cc2)C[NH3+]	20L	(4-phenoxyphenyl)methylazanium
+c1cc(ccc1CNC2=Nc3ccncc3S(=O)(=O)N2)S(=O)(=O)N4CCC(CC4)N5CCCC5	20M	n-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2h-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide
+CC(=O)Nc1ccc(cc1)NC(=O)C2CC2	20N	n-[4-(acetylamino)phenyl]cyclopropanecarboxamide
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)[C@H]3C[C@@H]3c4cccnc4	20O	(1s,2s)-n-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide
+c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3ccncc3	20P	(1s,2s)-2-phenyl-n-(pyridin-4-yl)cyclopropanecarboxamide
+CC(=O)N1CCC[C@@H](C1)[C@]2(c3ccc(cc3NC2=O)Cl)Cc4cccc(c4)Cl	20Q	(3s)-3-[(3r)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2h-indol-2-one
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3	20R	n-[4-(phenylsulfonyl)benzyl]-2h-pyrazolo[3,4-b]pyridine-5-carboxamide
+CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O	20S	beta-d-fructofuranosyl 6-o-octanoyl-alpha-d-glucopyranoside
+c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnn(c4nc3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(F)(F)F	20T	1-(5-o-phosphono-beta-d-ribofuranosyl)-n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
+CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4)C(=O)N)c5cccc(c5F)Cl	20U	(2's,3r,4's,5'r)-n-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
+Cc1c(c(c(c(n1)/N=N/c2cc3c(cc(cc3S(=O)(=O)O)[N+](=O)[O-])c(c2)S(=O)(=O)O)COP(=O)(O)O)C=O)O	20V	3-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid
+CC(C)(C)C[C@H]1[C@]2(c3c(cc(s3)Cl)NC2=O)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4OC)C(=O)N)c5cccc(c5F)Cl	20W	(2s,3r,4r,5r)-n-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F	20X	n-({(2e)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3	20Y	4-(acetylamino)-n-[2-amino-5-(thiophen-2-yl)phenyl]benzamide
+c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)Nc4ccc(cc4)S(=O)(=O)N)N	20Z	4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+C(CN)C(O)(P(=O)(O)O)P(=O)(O)O	210	pamidronate
+C(CO)N(CCO)CCO	211	2,2',2''-nitrilotriethanol
+C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN	212	alendronate
+c1ccc(cc1)[C@@](Cc2ccc(cc2)c3cccc(c3)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)n5c6ccccc6nn5	213	4'-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)-1,1'-biphenyl-3-ylphosphonic acid
+Cc1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6	214	6-[4-((2r)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl]-2-methylquinolin-8-ylphosphonic acid
+CN(C)CCOc1ccc(cc1)c2[nH]c(c(n2)c3ccc\4c(c3)CC/C4=N/O)c5ccncc5	215	(1z)-5-(2-{4-[2-(dimethylamino)ethoxy]phenyl}-5-pyridin-4-yl-1h-imidazol-4-yl)indan-1-one oxime
+C=CCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CC=C)Cc2ccccc2)O)O)Cc3ccccc3	216	[4-r-(4-alpha,6-beta,7-beta]-hexahydro-5,6-di(hydroxy)-1,3-di(allyl)-4,7-bisphenylmethyl)-2h-1,3-diazepinone
+C=CCC[C@@H](CO)O	217	(2s)-hex-5-ene-1,2-diol
+Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO	218	1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
+c1ccc(c(c1)C=O)O[P@@](=O)(O)OCC2CCCCC2	219	cyclohexylmethyl 2-formylphenyl hydrogen (s)-phosphate
+c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)c4[nH]nnn4	21A	6-(4-fluorophenyl)-5-[4-(1h-tetrazol-5-yl)phenyl]pyridine-2,3-diol
+CNCCC=C1c2ccccc2CCc3c1cccc3	21B	nortriptyline
+CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2O)Cl)Cl	21C	n-{1-[n-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
+c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O	21D	naphthalene-1,5-disulfonic acid
+CC(C)(C)n1c(c(c(n1)c2ccc3ccccc3n2)C(=O)N)N	21E	5-amino-1-tert-butyl-3-(quinolin-2-yl)-1h-pyrazole-4-carboxamide
+CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)I	21F	n-{1-[n-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
+c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F	21G	(2s,3s)-3-[[5-fluoranyl-2-(5-fluoranyl-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
+C(O)OCO	21H	oxydimethanol
+CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2c(cc(c3c2OC(O3)(C)C)Cl)Cl	21J	n-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide
+CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(cc2Cl)Cl	21K	n-{1-[n-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide
+CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCC(=O)OC)OC)O)C)O	21L	methyl 3-{4-[({[(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}propanoate
+CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl	21M	n-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F	21N	n-{[(2e)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-d-glucopyranosylamine
+c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)C(F)(F)F)C(C(=O)O)C(=O)O	21O	{(1r)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}propanedioic acid
+C[Si]1(C[Si](c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C	21P	4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1h-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid
+CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)C	21Q	4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide
+CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl	21R	n-{1-[n-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
+CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2c(cc(c3c2nsn3)Cl)Cl	21S	n-{1-[n-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide
+CC(C)(C)c1c(cnn1c2ccc(cc2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5	21T	4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid
+CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N	21U	d-leucyl-n-(3-chlorobenzyl)-l-prolinamide
+c1cc(ccc1CC[C@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	21V	n-(4-{2-[(6s)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-l-glutamic acid
+c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4	21W	n-(4-{[(1h-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+c1cc(ccc1CN)CNC(=O)c2csc3c2C(=O)NC=N3	21X	n-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+CCC(=O)N1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)Cl	21Y	1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one
+c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)S(=O)(=O)N)N	21Z	3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
+C(CC=C(CCC=C(CCC=O)C=O)C=O)CC=O	220	undeca-3,7-diene-1,3,7,11-tetracarbaldehyde
+c1c(cc(cc1C(F)(F)F)NC(C(C#N)C(=O)N)S)C(F)(F)F	221	(2r,3r)-3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-cyano-3-thioxopropanamide
+c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccc(cc3Cl)F)C4=NN(C(=O)C=C4)c5ccccc5Cl	222	2-(3-{(2-chloro-4-fluorophenyl)[1-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]amino}propyl)-1h-isoindole-1,3(2h)-dione
+c1c(c2c([nH]1)c(ncn2)N)C[N@@]3C[C@@H]([C@H](C3)O)CO	223	(3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol
+c1cc(ccc1CCC2(OCCO2)Cn3ccnc3)Cl	224	1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1h-imidazole
+CCOC(=O)C1=C(NC(=C([C@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C	225	felodipine
+c1c(cc(c2c1c(c(cc2O)O)O)O)O	226	naphthalene-1,2,4,5,7-pentol
+CN1CCN(CC1)S(=O)(=O)c2cccc3c2C[N@](CC3)c4c5cc(c(cc5ncn4)OC)OC	227	6,7-dimethoxy-4-{8-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydroisoquinolin-2(1h)-yl}quinazoline
+Cc1cc(nc(n1)n2ccnc2)N3CCC[C@@H]3C(=O)NCCc4ccc5c(c4)OCO5	228	n-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1h-imidazol-1-yl)-6-methylpyrimidin-4-yl]-d-prolinamide
+c1c(c2c([nH]1)C(=O)NC=N2)CN[C@H](CO)[C@@H](CO)O	229	7-({[(1r,2s)-2,3-dihydroxy-1-(hydroxymethyl)propyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+c1c(c2c([nH]1)C(=O)NC=N2)CNC(CO)CO	22A	7-({[2-hydroxy-1-(hydroxymethyl)ethyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H](CCC(C)(C)O)C(C)(C)O	22B	bacterioruberin
+CCC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl	22C	1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one
+c1cc(ccc1C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	22D	4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid
+CC1=C2c3cc(ccc3N=C2C(=C4C1C(=O)NC=C4)C)OC(=O)c5ccccc5	22E	5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate
+c1cc(ccc1C(=O)c2ccncc2)F	22F	(4-fluorophenyl)(pyridin-4-yl)methanone
+c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccc(cc2)O)C(=O)O)N	22G	n-[(2s)-2-amino-3-phenylpropyl]-l-tyrosine
+C[C@H](C(=O)O)O[C@H]([C@H](CO)NC(=O)C)[C@@H]([C@@H](COP(=O)(O)O)O)O	22H	2-(acetylamino)-3-o-[(1r)-1-carboxyethyl]-2-deoxy-6-o-phosphono-d-glucitol
+c1ccc(c(c1)C(=O)[C@@H](/C=C/C(=O)C(=O)O)F)F	22J	(3e,5r)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid
+Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)[C@@H]4CCC[C@@H](C4)N	22K	5-[(1r,3s)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
+c1ccc(cc1)c2csc3c2C(=O)NC=N3	22L	5-phenylthieno[2,3-d]pyrimidin-4(3h)-one
+[H]/N=C(\c1ccc2cc([nH]c2c1)c3ccccc3C)/N	22M	2-(2-methylphenyl)-1h-indole-6-carboximidamide
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@@H]1NC(=O)C)N)C(=O)O	22N	(3r,4s,5s)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+c1cc(cc(c1)Br)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	22O	n-({(2e)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+c1ccc(cc1)CC[C@@](CN)(C(=O)O)O	22P	(2r)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid
+CC(C)CC1=N/C(=C\S)/C(=O)NC1=O	22Q	(3z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1h,3h)-dione
+c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl	22S	n-({(2e)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+c1c2c(cc(c1O[C@H]3CCNC3)Cl)C(=O)NC=C2	22T	7-chloranyl-6-[(3s)-pyrrolidin-3-yl]oxy-2h-isoquinolin-1-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl)N	22U	d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide
+CC[C@H](C)[C@@H](C1=NC(=C=S)C(=O)O1)N	22W	2-[(1s,2s)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4h)-one
+CC(=O)NCCC[C@@](c1cccc(c1)Cl)([C@@H]2CCCN(C2)C(=O)N[C@@H](CC3CCCCC3)CNC)O	22X	(3r)-3-[(1s)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-n-{(1s)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide
+C[C@H](c1ccccc1)Nc2c(ncc(n2)c3cc(ccc3Cl)C(=O)O)N	22Y	3-(5-amino-6-{[(1r)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid
+CCCCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2	22Z	4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O	230	(2r,4r)-n~1~-(4-chlorophenyl)-n~2~-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
+c1ccc(cc1)c2c[nH]cn2	231	4-phenyl-1h-imidazole
+COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)CCCC6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC	232	1,3-di[[[10-methoxy-7h-pyrido[4,3-c]carbazol-2-iumyl]-ethyl]-piperidin-4-yl]-propane
+COC(=O)NCCCCCC(=O)N[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	233	[5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylcarbamoyl)-pentyl]-carbamic acid methyl ester
+COC(=O)c1c(cccc1OC\C=C\c2ccc(c(c2)c3cc(no3)C(=O)O)F)O	234	5-{2-fluoro-5-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)-propenyl]-phenyl}-isoxazole-3-carboxylic acid
+CC(C)[C@H](NS(=O)(=O)c1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	235	(2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-hydroxy{(1r)-2-methyl-1-[(phenylsulfonyl)amino]propyl}phosphoryl]propanoic acid
+CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C	237	(2r,4r)-n~1~-(4-chlorophenyl)-n~2~-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-4-methoxypyrrolidine-1,2-dicarboxamide
+Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)Cl)C(=O)O	238	6-chloro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid
+[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)\N	239	6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-2-naphthamide
+c1cc(c(c(c1)O)O)C=O	23A	2,3-dihydroxybenzaldehyde
+C[C@H]([C@@](C)(C(=O)O)O)O	23B	(2s,3r)-2,3-dihydroxy-2-methylbutanoic acid
+c1ccc2c(c1)cccc2C[C@H](C(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O	23C	2-[(1r)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid
+CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@H]4N	23D	n2-[(1r,2s)-2-aminocyclohexyl]-n6-(3-chlorophenyl)-9-ethyl-9h-purine-2,6-diamine
+c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7	23E	(2e)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid
+c1ccc(cc1)\C=C(\C(=O)O)/N	23F	(2z)-2-amino-3-phenylacrylic acid
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N	23G	guanosine-5'-phosphate-2',3'-cyclic phosphate
+CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(c2ccc(cc2)NC(=O)C)C(=O)Cn3c4ccccc4nn3	23H	n-[4-(acetylamino)phenyl]-2-(1h-benzotriazol-1-yl)-n-[(1r)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1h-pyrrol-2-yl)-2-oxoethyl]acetamide
+CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)O)NC(=O)c1cc(cc(c1)[N@@](C)S(=O)(=O)C)C(=O)N[C@H](C)c2ccccc2	23I	n-[(1s,2s,4r)-2-hydroxy-1-isobutyl-5-({(1s)-1-[(isopropylamino)carbonyl]-2-methylpropyl}amino)-4-methyl-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]isophthalamide
+c1ccc(c(c1)C(=O)C(=O)O)S	23J	oxo(2-sulfanylphenyl)acetic acid
+CC(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)NC(C)(C)C)O)F	23K	1-tert-butyl-3-{(2s,3r)-4-[(4r)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea
+CC(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F	23L	(3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4r)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+[H]/N=C(\c1ccc2c(c1)cc([nH]2)c3cccc(c3)C)/N	23M	2-(3-methylphenyl)-1h-indole-5-carboximidamide
+c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)O	23N	(2r)-2-benzyl-3-nitropropanoic acid
+CCC(=O)NC[C@@H](C(=O)O)N	23P	3-(propanoylamino)-l-alanine
+COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)c4cccc(c4)CF)N	23Q	(2s,3s,11bs)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-amine
+C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O	23R	(1s,2s,3r,5z,7e,14beta,17alpha,23r)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
+c1c[se]c2c1c(c[nH]2)C[C@@H](C(=O)O)N	23S	(s)-2-amino-3-(6h-selenolo[2,3-b]-pyrrol-4-yl)-propionic acid
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	23T	2',3'-dideoxy-thymidine-5'-triphosphate
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cccc(c4)Cl)N	23U	beta-phenyl-d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide
+c1cc(cc(c1)Cl)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	23V	n-({(2e)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+COC(=O)C(=C)CO	23W	methyl 2-(hydroxymethyl)prop-2-enoate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3	23X	n~2~-acetyl-n-[(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-l-isoleucinamide
+c1cc(ccc1/C=C/c2cc(cc3c2[C@@H]([C@H](O3)c4ccc(cc4)O)c5cc(cc(c5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O	23Y	(2s,3s)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(e)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl beta-d-glucopyranoside
+CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)n5cccc5)C(F)(F)F)C1	23Z	(2r)-1-{5-acetyl-3-[3-{[2-oxo-2-(1h-pyrrol-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazo lo[4,3-c]pyridin-1-yl}-3-[4-(1-hydroxy-1-methylethyl)piperidin-1-yl]propan-2-ol
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4ccccc4O[C@@H](C)C(=O)O	240	(2s)-2-(2-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]methyl}phenoxy)propanoic acid
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4cccc(c4)O[C@@H](C)C(=O)O	241	(2s)-2-(3-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]methyl}phenoxy)propanoic acid
+Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F	242	3-(2-aminoquinazolin-6-yl)-4-methyl-n-[3-(trifluoromethyl)phenyl]benzamide
+CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O	243	(9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid
+c1cc(ccc1c2cc3cc(cc(c3o2)CC#N)O)O	244	[5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile
+c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl	245	1-(2-chloropyridin-4-yl)-3-phenylurea
+c1ccc(cc1)CNC(=O)Nc2ccnc(c2)Cl	246	1-benzyl-3-(2-chloropyridin-4-yl)urea
+c1cc(ccc1[C@H](C(C(=O)O)(F)F)N)O	247	(3r)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid
+CCn1cnc2c1nc(nc2Nc3ccc(cc3)[P@](=O)(CP(=O)(O)O)O)C4CCC(CC4)N	24A	{[(4-{[2-(4-aminocyclohexyl)-9-ethyl-9h-purin-6-yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acid
+c1cc(c(cc1F)F)CO	24B	(2,4-difluorophenyl)methanol
+c1cnc(nc1)OC2CCN(CC2)C(=O)NCc3ccc(cc3Cl)Cl	24D	n-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide
+c1ccc2c(c1)C(=O)c3c(c([nH]c3c4cccs4)Cc5ccc(cc5)O)O2	24E	3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2h)-one
+CCOc1ccc(cc1)c2ccc(s2)S(=O)(=O)N[C@H](C3CCN(CC3)C(=O)OC(C)C)C(=O)O	24F	(2r)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid
+CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O	24G	uridine-5'-diphosphate-3-o-(r-3-hydroxymyristoyl)-glucosamine
+c1nc2c(n1C[C@@H](CO)OCP(=O)(O)O)N=C(NC2=O)N	24H	{[(1s)-2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid
+c1cc(ccc1C[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)I	24I	(2s)-2-{[hydroxy(4-iodobenzyl)phosphoryl]methyl}pentanedioic acid
+CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	24K	trans-4-{[2-(butylamino)-5-(pyridin-2-yl)pyrimidin-4-yl]amino}cyclohexanol
+CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCCC(=O)O)OC)O)C)O	24L	4-{4-[({[(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid
+CC(C)C[C@@H]([C@H]([C@@H]1CCC[C@H]1C(=O)O)O)N	24M	(1r,2r)-2-[(1s,2s)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid
+CC(C)C[C@@H]([C@H]([C@@H]1CC(=O)C[C@H]1C(=O)O)O)N	24O	(1r,2r)-2-[(1s,2s)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid
+c1ccc(cc1)Cc2ccc(cc2)OC[C@H]3CCCN3	24P	(2r)-2-[(4-benzylphenoxy)methyl]pyrrolidine
+CS(=O)(=O)NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3cccc(n3)CC4CCCCC4	24Q	6-(cyclohexylmethyl)-n-[4-(methylsulfonylcarbamoyl)-2-(phenylmethyl)phenyl]pyridine-2-carboxamide
+Cn1cc(cn1)c2cnc3c(cnn3c2)c4cc(sc4)C(=O)N[C@H]5CCCC[C@H]5N	24R	n-[(1s,2r)-2-aminocyclohexyl]-4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
+c1ccc(c(c1)/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]	24S	n-({(2z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+Cc1csc(n1)N	24T	2-amino-4-methylthiazole
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC)\N	24U	1-butanoyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	24V	9-cyclopentyl-n-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine
+c1cc2c(c(c1)N)CCNC2	24W	1,2,3,4-tetrahydroisoquinolin-5-amine
+[H]/N=C(/c1ccc(nc1)NCc2cc(ccc2c3ccc(cc3C(=O)O)C(=O)NCC(C)C)C=C)\N	24X	2'-((5-carbamimidoylpyridin-2-ylamino)methyl)-4-(isobutylcarbamoyl)-4'-vinylbiphenyl-2-carboxylic acid
+Cc1cccnc1n2c(nc(n2)c3ccccc3)C4=CNC(=O)C(=C4)Cl	24Y	3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1h-1,2,4-triazol-5-yl]pyridin-2(1h)-one
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCC(=O)O	24Z	4-({4-carbamoyl-2-nitro-5-[(pyridin-3-ylmethyl)amino]phenyl}amino)butanoic acid
+C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O	250	(2r)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
+[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3	251	n-[amino(imino)methyl]-2-(2,5-diphenyl-1h-pyrrol-1-yl)acetamide
+CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O	252	(1-hydroxynonane-1,1-diyl)bis(phosphonic acid)
+Cc1c(ccc2c1nc(c3c2c4cc(c(cc4nc3)OC)OC)N)N	253	10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine
+CC1(CCC(c2c1ccc(c2)/C(=N/O)/c3ccc4cc(ccc4c3)C(=O)O)(C)C)C	254	6-[hydroxyimino-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic acid
+CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(cccc3Nc4ccccn4)nc2	255	n-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
+c1ccc(cc1)[C@H](C(=O)O)S(=O)(=O)O	256	phenyl(sulfo)acetic acid
+c1ccc(cc1)OCCCl	258	(2-chloroethoxy)benzene
+CSc1ccc(cc1)[N+](=O)[O-]	259	1-(methylsulfanyl)-4-nitrobenzene
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N	25A	5'-o-monophosphoryladenylyl(2'->5')adenylyl(2'->5')adenosine
+CCCC[C@@H](CCS(=O)(=O)c1ccccc1)NC(=O)[C@@H]2CCCC[C@H]2C(=O)c3ccc(cc3)Cl	25B	(1r,2r)-2-[(4-chlorophenyl)carbonyl]-n-{(1s)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide
+Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@](C)(C4CCCCC4)C(=O)O)C	25D	2-cyclohexyl-n-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-d-alanine
+c1cc(ccc1/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	25E	n-({(2z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br	25F	2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one
+c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)c5[nH]nnn5	25G	n-[2-benzyl-4-(1h-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide
+c1nc2c(n1CCOCCP(=O)(O)O)N=C(NC2=O)N	25H	{2-[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethoxy]ethyl}phosphonic acid
+Cc1ccc(cc1)CN(C)c2cc(nc3n2ncn3)C	25K	n,5-dimethyl-n-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)O)O)N	25L	[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
+B(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(O)O	25N	(3,5-di-tert-butylphenyl)boronic acid
+Cc1cc(n2c(n1)nc(n2)N)c3ccccc3	25O	5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
+c1cc(ccc1OC[C@@H]2CCC[N@@]2CCCC(=O)[O-])Oc3ccc(cc3)Cl	25P	4-[(2s)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate
+COc1cccc(c1)n2c(c(c3c2nc4ccccc4n3)C(=O)N)N	25Q	2-amino-1-(3-methoxyphenyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide
+Cc1cnc(cn1)C	25R	2,5-dimethylpyrazine
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(c(c6)F)F	25S	(r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide
+Cc1c[nH+]c(s1)N	25T	2-amino-5-methylthiazole
+CCc1c(c(nc(n1)N)N)C#CCc2cccc(c2)c3cncnc3	25U	6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
+Cc1cc(c2ccccc2[n+]1[O-])c3cccc(c3)NC(=O)C	25V	n-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N	25W	(1r,2s,3s,4r,5s)-5-aminocyclohexane-1,2,3,4-tetrol
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CNS(=O)(=O)N	25X	1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane
+B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CNS(=O)(=O)N	25Y	1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane
+c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccc(c3)C(F)(F)F)N	25Z	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone
+c1cc(c(c(c1)F)CBr)F	260	2-(bromomethyl)-1,3-difluorobenzene
+CCOc1ccccc1O	261	2-ethoxyphenol
+c1ccc(c(c1)C=O)OP(=O)(O)O	262	2-formylphenyl dihydrogen phosphate
+Cc1cccc(c1)CN=[N+]=[N-]	263	1-(azidomethyl)-3-methylbenzene
+c1ccc(cc1)NCC#N	264	(phenylamino)acetonitrile
+c1cc(sc1)[N+](=O)[O-]	265	2-nitrothiophene
+CCCSCCO	266	2-(propylsulfanyl)ethanol
+Cc1cccc(c1)CN=[N+]=[N-]	267	1-(azidomethyl)-3-methylbenzene
+c1ccc(cc1)OCCO	268	2-phenoxyethanol
+c1ccc(cc1)[C@@H](CCCl)O	269	(1r)-3-chloro-1-phenylpropan-1-ol
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	26A	6n-dimethyladenosine
+Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)O)C	26B	o-tert-butyl-n-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-l-threonine
+c1cc(c(c(c1)F)c2ccc(cc2)C(=O)O)F	26C	2',6'-difluorobiphenyl-4-carboxylic acid
+c1cc(nc(c1)N)N	26D	pyridine-2,6-diamine
+B123B45B167B289B31B823B966B744B622[C@]45C321CNS(=O)(=O)N	26E	7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane
+COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4cc(nc(n4)OC)OC	26F	(2r)-4-(2,6-dimethoxypyrimidin-4-yl)-n-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
+Cc1ncc(c(n1)N)Cc2cccc(c2)CCO	26G	2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol
+c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C(F)(F)F	26J	2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4h-benzo[e][1,3]thiazin-4-one, bound form
+CN(C)CCNc1ccn2c(n1)c(cn2)c3c[nH]nc3	26K	n,n-dimethyl-n'-[3-(1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
+c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)N[C@@H]5CCCC[C@H]5N	26L	(1r,2r)-n-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine
+c1ccc(cc1)c2ccc(cc2)OCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	26M	n-[(biphenyl-4-yloxy)acetyl]-beta-d-glucopyranosylamine
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)C(F)(F)F	26N	nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-n-pyridin-4-yl-d-tryptophanamide
+c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	26O	n-({(2e)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+C(C[C@@H](C(=O)O)N)CC(=O)C(=O)O	26P	2-amino-6-oxopimelic acid
+c1ccc(cc1)c2ccc(cc2)/C=C/C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	26Q	n-[(2e)-3-(biphenyl-4-yl)prop-2-enoyl]-beta-d-glucopyranosylamine
+C[C@H](Cc1ccc(cc1)C(C)C)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	26R	n-{(2r)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-d-glucopyranosylamine
+CCc1ccc(cc1)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(cc3)OC)c4cc(nc(n4)OC)OC	26S	(2r)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-n-(4-methoxybenzyl)piperazine-2-carboxamide
+CC(=O)[C@H](C(=O)COP(=O)(O)O)O	26T	(3r)-3-hydroxy-2,4-dioxopentyl dihydrogen phosphate
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC(C)C)\N	26U	n-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-l-prolinamide
+c1cc2c(cc1CCCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CCCC2	26V	n-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-beta-d-glucopyranosylamine
+CCc1ccc(cc1)[C@H](C)CC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	26W	n-[(3r)-3-(4-ethylphenyl)butanoyl]-beta-d-glucopyranosylamine
+CC(C)c1ccc(cc1)/C=C/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	26Y	n-{(2e)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-d-glucopyranosylamine
+c1cc(cc(c1)N)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	26Z	4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+C1=CC2=NC(N=C2C=C1)N	270	2h-benzoimidazol-2-ylamine
+CNCc1ccccc1	271	n-methyl-1-phenylmethanamine
+c1cc2c(cc1O)onc2c3ccc(cc3O)O	272	4-(6-hydroxy-benzo[d]isoxazol-3-yl)benzene-1,3-diol
+[H]/N=C(\C1CCCC1)/N	273	cyclopentanecarboximidamide
+Cc1c([nH]c(c1C(=O)N2CCN(CC2)C)C)\C=C/3\c4cc(ccc4NC3=O)S(=O)(=O)N(C)c5cccc(c5)Cl	274	(3z)-n-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-2-yl}methylene)-n-methyl-2-oxoindoline-5-sulfonamide
+Cc1ccc(c[n+]1C)N	275	5-amino-1,2-dimethylpyridinium
+CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)[nH]c(n3)Nc4ccc(c(c4)C(F)(F)F)Cl	276	4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3h-benzimidazol-5-yl]oxy]-n-methyl-pyridine-2-carboxamide
+C[C@@H](C1CCC(CC1)N(C)C(=O)C)[C@@H](C(=O)N2CC[C@@H](C2)F)N	277	n-(trans-4-{(1s,2s)-2-amino-3-[(3s)-3-fluoropyrrolidin-1-yl]-1-methyl-3-oxopropyl}cyclohexyl)-n-methylacetamide
+Cn1cccc1CN	278	1-(1-methyl-1h-pyrrol-2-yl)methanamine
+CCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NOC	279	n-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+CN1CCN(CC1)c2ccccc2C/N=N\C(=S)N	27A	(z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide
+c1ccc2c(c1)ccc(c2Br)C(=O)O	27B	1-bromonaphthalene-2-carboxylic acid
+CCCCO[P@](=O)(O)OC[C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O	27C	5-o-[(s)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-d-arabinofuranose
+Cc1cccc(n1)CC(=O)n2ccc3c2ccc(c3F)c4cn(c5c4c(ncn5)N)C	27D	1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1h-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone
+C1(=O)C2([C@@]3([C@@]4(C1([C@@]5([C@]2(C3(C(C54Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl	27E	chlordecone
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C#N	27F	4-(4-oxo-1,4-dihydroquinazolin-2-yl)benzonitrile
+CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2	27G	benzyl butyl benzene-1,2-dicarboxylate
+CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)OC(=O)c3ccc(cc3)O)(C(C)C)O)C	27H	ferutinine
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N3CCCCCC3)N	27I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide
+C[C@H]1CCC[C@@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O	27J	alpha-zearalanol
+CCCCOC(=O)c1ccc(cc1)O	27K	butyl 4-hydroxybenzoate
+CC(C)(C)CC(C)(C)c1ccc(cc1)O	27L	4-(2,4,4-trimethylpentan-2-yl)phenol
+c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O	27M	bis(2,4-dihydroxyphenyl)methanone
+c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O	27N	4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol
+C[C@H](c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O	27O	(2r)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid
+c1ccc(cc1)Cc2ccc(cc2)OCCN3CCCC3	27P	1-[2-(4-benzylphenoxy)ethyl]pyrrolidine
+CCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	27Q	n-heptyl-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)O	27R	[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid
+CCC(CC)O[C@@H]1CC(=C[C@@]2([C@H]1NC(=O)C)C(=O)N=C(S2)N)C(=O)O	27S	(5r,9r,10s)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)\N	27U	n-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-l-prolinamide
+[H]/N=C/1\NC(=O)[C@]2(S1)C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O	27V	(2e,5s,9r,10s)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid
+CC[C@@H](C)[C@@H]([C@H](CC(C)C)N)O	27W	(3r,4s,5s)-5-amino-3,7-dimethyloctan-4-ol
+CN1c2c(cc(c3c2c(cc(n3)C(=O)OC)C1=O)N)N	27X	ammosamide 272
+C1=C(C(=O)NC=C1Br)O	27Y	5-bromo-3-hydroxypyridin-2(1h)-one
+c1cc(ccc1Nc2nc(c(s2)C(=O)N)N)S(=O)(=O)N	27Z	4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
+Cn1cncc1C=O	280	1-methyl-1h-imidazole-5-carbaldehyde
+CC(C)[C@H](NS(=O)(=O)c1cccc2c1nsn2)[P@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O	281	(2s)-2-[3-(aminomethyl)phenyl]-3-[(s)-{(1r)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid
+COc1cccnc1	282	3-methoxypyridine
+CC#CCOc1ccc(cc1)S(=O)(=O)[N@]2CC[C@@H](C2)S	283	(3s)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol
+C[C@H]1CCNC(=C1)N	284	(4s)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine
+CC1[C@H](O[C@@H](N1)C)C	285	(2r,4r,5r)-2,4,5-trimethyl-1,3-oxazolidine
+C[n+]1ccccc1C=C	286	2-ethenyl-1-methylpyridinium
+Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)C(=O)NOC	287	4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-n-[(1s)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+c1cc2c(cc1Cl)cc([nH]2)C(=O)NCC(N(CCO)C3CCCC3)O	288	5-chloro-1h-indole-2-carboxylic acid{[cyclopentyl-(2-hydroxy-ethyl)-carbamoyl]-methyl}-amide
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O	289	d-glycero-alpha-d-manno-heptopyranose
+COc1cccc(c1)C2=NC(=O)C(=CC2)O	28A	3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5h)-one
+c1cc(cc(c1)C2=CNC(=O)C(=C2)O)C#N	28B	3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile
+Cc1cc(c2nncn2n1)NCCc3ccc(cc3)O	28C	4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol
+COc1cc(cc(c1OC)OC)c2c3cc(ccc3[nH]n2)C=C(C#N)n4cncn4	28D	(2z)-2-(1h-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]prop-2-enenitrile
+c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O	28E	(2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol
+CCNC(=O)Nc1nc2cc(c(nc2s1)OC[C@@H]3CCOC3)c4cncnc4	28F	1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3r)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea
+C=CCNC(=O)Nc1nc2cc(c(nc2s1)OCCN3CCOCC3)c4cccnc4	28G	1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea
+C[C@H]([C@@H](C(C)C)O)C(=O)O	28H	(2r,3r)-3-hydroxy-2,4-dimethylpentanoic acid
+[H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2ccoc2)N3CCCCCC3)N	28I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide
+CC[C@H](C)[C@H](C(=O)O)N	28J	d-alloisoleucine
+C[C@@H]([C@@]1(CO1)/C=C/C(=O)O)O	28K	(2e)-3-{(2s)-2-[(1r)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid
+CC(C)(C)c1cc(c2c(c1OC)cc(cn2)c3ccc(cc3)NS(=O)(=O)C)C4=CCC(=NC4=O)OC	28L	n-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide
+CC(C)(C)c1cc(c2c(c1OC)cc(cn2)N3CC[C@@H](C3)CNS(=O)(=O)C)C4=CC=CNC4=O	28M	n-({(3s)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide
+c1cc2c(cc1Br)N3C(=NOC3=O)CO2	28N	8-bromo-4h-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one
+CC(C)(C)c1cc(ccc1OC)C2=CC=CNC2=O	28O	3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1h)-one
+C[N@@](CCCOc1ccc(cc1)Cc2ccccc2)CCC(=O)O	28P	n-[3-(4-benzylphenoxy)propyl]-n-methyl-beta-alanine
+CC(C)(C)c1cc(cc(c1OC)CCc2ccc(cc2)NS(=O)(=O)C)C3=CC=CNC3=O	28Q	n-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide
+CC(C)(C)c1cc(cc(c1OC)c2nc3cc(ccc3o2)NS(=O)(=O)C)C4=CC=CNC4=O	28R	n-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide
+C=CCNc1c2cc(ccc2ncn1)Br	28S	6-bromo-n-(prop-2-en-1-yl)quinazolin-4-amine
+C1C[C@H](NC1)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O	28T	1-{4-oxo-4-[(2s)-pyrrolidin-2-yl]butanoyl}-l-proline
+CC(=CCCC(=CCC[C@](C)(C=C)O)C)C	28U	(3r,6e)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
+CC(C)(C)c1cc(cc(c1OC)/C=C/c2ccc(cc2)NS(=O)(=O)C)C3=CC=NNC3=O	28V	n-(4-{(e)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide
+CC(C)C[C@@H](C(=O)NO)NC(c1c2ccc(cc2[nH]c1C(=O)NO)Cl)C(=O)NCc3ccccc3	28W	3-[(1r)-2-(benzylamino)-1-{[(2s)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-n-hydroxy-1h-indole-2-carboxamide
+C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)OCC[C@H](CO)O	28X	o-[(r)-{[(3r)-3,4-dihydroxybutyl]oxy}(hydroxy)phosphoryl]-l-threonine
+c1cn-2c(n1)NC(=O)c3c2nc[nH]3	28Y	3h-imidazo[2,1-b]purin-4(5h)-one
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	28Z	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-glutamic acid
+CC1=NC(=O)Nc2c1nc[nH]2	290	6-methyl-3,9-dihydro-2h-purin-2-one
+C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COC(=O)N)O)O)O)O	291	prop-2-en-1-yl 7-o-carbamoyl-l-glycero-alpha-d-manno-heptopyranoside
+c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4	292	n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-(2-naphthyl)acetamide
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)[C@H](CO)O)O)O	293	2-deoxy-beta-l-galacto-heptopyranose
+c1cc(ccc1C(F)(F)F)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)C(=O)NO	294	n-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2h-pyran-4-carboxamide
+c1cc(ccc1[C@@H]([C@@H](C(=O)O)O)O)F	295	(2s,3s)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid
+COc1ccc(cc1)[C@H](C(C(=O)O)(F)F)N	296	(3r)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid
+C(CCCCCCN)CCCCCN	297	dodecane-1,12-diamine
+C\C=C\C=NCCCC/N=C/C=C\C	298	n-[(1e,2z)-but-2-en-1-ylidene]-n'-[(2e)-but-2-en-1-ylidene]butane-1,4-diamine
+Cc1cc(c(c(c1)C=O)OP(=O)(O)O)C=O	299	2,6-diformyl-4-methylphenyl dihydrogen phosphate
+Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO	29A	3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6h)-yl}-n-(2-hydroxyethyl)-4-methylbenzamide
+c1cc(ccc1c2c[nH]nc2c3ccncc3)F	29B	4-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]pyridine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	29C	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	29D	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid
+CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3	29E	(3s)-n-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine
+CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	29F	2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one
+c1c2c(nc(nc2ncn1)N)N	29G	pyrimido[4,5-d]pyrimidine-2,4-diamine
+c1c2c(ncn1)N=C(NC2=O)N	29H	2-aminopyrimido[4,5-d]pyrimidin-4(3h)-one
+CN(C)C[C@@H](c1ccc(cc1)O)C2(CCCCC2)O	29J	4-[(1r)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
+CC(C)C[C@H]1c2c3c4ccccc4n(c3c5c(c2C(=O)N1)c6ccccc6[nH]5)CCCCN	29K	(7s)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
+c1cc\2c(cc1c3cn(nc3c4ccncc4)CCO)CC/C2=N\O	29L	2-{4-[(1e)-1-(hydroxyimino)-2,3-dihydro-1h-inden-5-yl]-3-(pyridin-4-yl)-1h-pyrazol-1-yl}ethanol
+CC(C)c1cc2c(c([nH]c2c(c1)NS(=O)(=O)C)CN(C)Cc3ccccc3)c4ccc(cc4OC)F	29M	n-[2-{[benzyl(methyl)amino]methyl}-3-(4-fluoro-2-methoxyphenyl)-5-(propan-2-yl)-1h-indol-7-yl]methanesulfonamide
+CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC	29N	1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one
+c1c(cc(cc1NC(=O)CBr)NC(=O)CBr)NC(=O)CBr	29O	n,n',n''-benzene-1,3,5-triyltris(2-bromoacetamide)
+Cc1c(c(c([nH]1)C[C@H]2C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	29P	3-[(5s)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]propanoic acid
+c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O	29Q	(5r)-5-(4-chlorophenyl)-2,5-dihydro-3h-imidazo[2,1-a]isoindol-5-ol
+Cn1c[n+](c2c1C(=O)NC(=N2)NCCCCC(=O)O)CCCCC(=O)O	29R	2,9-n,n-di(4-carboxybutyl)-7-n-methylguanine
+Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O	29S	bazedoxifene
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccn4c3cc(c4)C#N	29T	8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC)N)\N	29U	1-[(2r)-2-aminobutanoyl]-n-(4-carbamimidoylbenzyl)-l-prolinamide
+C[C@H]1CC/C(=C\C(=C/C/C=C(\C)/CC(=O)O)\C)/c2c1cccc2	29V	(3e,6z,8e)-3,7-dimethyl-8-[(4s)-4-methyl-3,4-dihydronaphthalen-1(2h)-ylidene]octa-3,6-dienoic acid
+Cc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	29W	(5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)C=NC4=O)F	29X	5-{[(3s,4r)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-1h-isoindol-1-one
+CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5c[nH]nc5	29Y	(1s,2s)-2-{4-[(dimethylamino)methyl]phenyl}-n-[6-(1h-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
+CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5cccnc5	29Z	(1s,2s)-2-{4-[(dimethylamino)methyl]phenyl}-n-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
+CCCC[C@@H](CN[C@@H](CCCC)C(=O)O)N	2A0	n-[(2s)-2-aminohexyl]-l-norleucine
+C[C@@H](CO)N	2A1	(2s)-2-aminopropan-1-ol
+c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCCS	2A2	4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol
+C[C@H](CO)N	2A3	(2r)-2-aminopropan-1-ol
+CC1([C@](O[C@@](O1)(C(=O)Nc2cccc(c2)C(=O)N3CCC(CC3)c4cccc(c4)CN)C(C)(C)O)(C(=O)Nc5cccc(c5)C(=O)N6CCC(CC6)c7cccc(c7)CN)O)C	2A4	(2r,4s)-n,n'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)CCO)N	2A5	2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate)
+c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	2A6	2-anilino-6-cyclohexylmethoxypurine
+COc1cc(cc(c1)O)O	2A7	5-methoxy-benzene-1,3-diol
+c1ccc2c(c1)CCc3cc(ccc3C2=O)Nc4ccccc4N	2A8	2-amino-phenylamino-dibenzosuberone
+COc1ccc(cc1O)CO	2A9	5-(hydroxymethyl)-2-methoxyphenol
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O	2AA	5'-o-{[({[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]oxy}phosphinato)oxy]phosphinato}cyt
+c1cc(ccc1CCN)[S@@](=O)O	2AB	4-(2-aminoethyl)benzenesulfonic acid
+Cc1ccc(c(c1)N)O	2AC	2-amino-p-cresol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)N)N	2AD	2'-amino-2'-deoxyadenosine
+c1ccc(c(c1)C(=O)N)N	2AE	2-amino-benzamide
+c1ccc(c(c1)N)O	2AF	2-aminophenol
+C=CC[C@@H](C(=O)O)N	2AG	(2s)-2-aminopent-4-enoic acid
+CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2ccccn2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC	2AH	{(1s)-1-[n'-[(2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-n'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester
+c1cnc([nH]1)N	2AI	1h-imidazol-2-amine
+C[Si](C)(c1coc2c1cc(cc2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5coc6c5cc(cc6)C(=O)N7CCC(CC7)c8cccc(c8)CN	2AJ	[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
+Cc1cc2c(c(c1)Br)NC(=O)C2=O	2AK	7-bromo-5-methyl-1h-indole-2,3-dione
+C1(=O)C(=NC(=O)N1)NC(=O)N	2AL	1-(2,5-dioxo-2,5-dihydro-1h-imidazol-4-yl)urea
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N	2AM	adenosine-2'-monophosphate
+c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O	2AN	8-anilino-1-naphthalene sulfonate
+CCCC[C@@H](CO)N	2AO	(2s)-2-aminohexan-1-ol
+c1cc[nH+]c(c1)N	2AP	2-aminopyridine
+c1ccc2c(c1)ccc(n2)N	2AQ	quinolin-2-amine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](C3)O)COP(=O)(O)O)N	2AR	2'-deoxyaristeromycin-5'-phosphate
+C[C@H]([C]O)[C@@H](C(=O)(=O)O)N	2AS	(2s,3s)-3-methyl-aspartic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC=C	2AT	2'-o-allyl thymidine-5'-monophosphate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N	2AU	2'-aminouridine
+C[Si](C)(c1cccc2c1cc(s2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5cccc6c5cc(s6)C(=O)N7CCC(CC7)c8cccc(c8)CN	2AV	[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
+C[C@](COC(=O)CCCCC(=O)O)([C@H](C(=O)O)NCCC=O)S(=O)O	2AW	6-({(2r,3s)-3-carboxy-2-methyl-3-[(3-oxopropyl)amino]-2-sulfinopropyl}oxy)-6-oxohexanoic acid
+C[C@H]1CS[C@@H]2[C@H](C[C@H]1C(=O)O)C(=O)c3ccncc3C2=O	2AX	(3r,4r,5ar,11ar)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid
+CC(C)(C)c1cc(cc(c1OC)C2=Cc3ccc(cc3C(=O)O2)NS(=O)(=O)C)C4=CC=CNC4=O	2AY	n-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1h-isochromen-7-yl}methanesulfonamide
+Cc1ccc(cc1)C(=O)N(CCCN)[C@H](C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl	2AZ	n-(3-aminopropyl)-n-[(r)-(3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl]-4-methylbenzamide
+Cc1c(c(c(cn1)CCP(=O)(O)O)C=O)O	2B0	[2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethyl]phosphonic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/c2nc3ccccc3s2)O	2B1	(4-{[(e)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	2B2	4-(2-methyl-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzamide
+CCCS(=O)(=O)NCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	2B3	4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzamide
+c1cc(ccc1OC(C(=O)O)C(=O)O)Br	2B4	2-(4-bromanylphenoxy)propanedioic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)CNC(=O)c3cc4ccccc4o3	2B5	2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1h-indol-1-yl)acetic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/C(=O)c2nc3ccccc3s2)O	2B6	(4-{[(e)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+CC(C)CCN1c2c(nc(s2)NC(=O)NCC=C)C=C(C1=O)c3cccnc3	2B7	1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea
+CCCn1cnc2c1CC[C@@](C2)(CCCN)C(=O)O	2B8	(5r)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1h-benzimidazole-5-carboxylic acid
+CC1=C(/C(=C\N=N\C(=O)c2ccncc2)/C(=CN1)COP(=O)(O)O)O	2B9	[(4z)-5-hydroxy-6-methyl-4-{[(e)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N	2BA	(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9h-purin-9-yl)octahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide
+CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C	2BB	(2s,3r)-n~4~-[(1s)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-n~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
+c1ccc2cc(ccc2c1)C(=O)N/N=C/c3cc(c(c(c3O)Br)O)Br	2BC	n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
+C=C[C@@H](CO)N1C=Nc2c(ncn2[C@H]3CC([C@H](O3)COP(=O)(O)O)O)C1=O	2BD	n1-(1-hydroxy-3-buten-2(s)-yl)-2'-deoxyinosine mono phosphoric acid
+c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Cl	2BE	4-chloro-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
+c1ccc(cc1)CN[C@@H](c2ccccc2)P(=O)(O)O	2BF	alpha-benzyl-aminobenzyl-phosphonic acid
+c1ccc2c(c1)nc(s2)CN	2BG	1-(1,3-benzothiazol-2-yl)methanamine
+[B-](\C=C\CC[C@@H](C(=O)O)N)(O)(O)O	2BH	[(1e,5s)-5-amino-5-carboxypent-1-enyl](trihydroxy)borate(1-)
+Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl	2BI	2,4,5-trichloro-n-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
+Cc1ccc(cc1C)Oc2cccc(c2)NC(=O)c3cc(ccc3C(=O)O)[N+](=O)[O-]	2BJ	2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@H](C)O)C(=O)O)O	2BK	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-allothreonine
+CC[C@H]([C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C(=O)O	2BL	(3r)-3-ethyl-n-[(4-methylphenyl)sulfonyl]-l-aspartic acid
+C(Br)Br	2BM	dibromomethane
+CC1([C@@H]2CC[C@]1(NC2)C)C	2BN	(1r,4s)-2-azabornane
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@@H](C)O)C(=O)O)O	2BO	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-threonine
+c1c2c([nH]cn2)nc(n1)N	2BP	9h-purin-2-amine
+c1cc(ccc1[C@](CN)(CS(=O)(=O)O)O)Cl	2BQ	2-hydroxysaclofen
+c1ccc(c(c1)O)Br	2BR	2-bromophenol
+CCOC(=O)c1ccc2c(c1)sc(n2)N	2BS	ethyl 2-amino-1,3-benzothiazole-6-carboxylate
+CCCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O	2BT	2'-o-butyl-thymidine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC[C@H]([C@H](CO)O)O	2BU	(2s,3s)-n6-(2,3,4-trihydroxybutyl)-2'-deoxyadenosine mono phosphoric acid
+C[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(CC2CCCCC2)O)O	2BV	(r)-(cyclohexylmethyl)[(2s)-3-{[(1s)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid
+CCOC(OCC)P(=O)(CCCN)O	2BW	(s)-(3-aminopropyl)(diethoxymethyl)phosphinic acid
+CC1(CO[C@H](CN1)CC(=O)O)C	2BX	[(2s)-5,5-dimethylmorpholin-2-yl]acetic acid
+c1cc(ccc1[C@H](CN)CP(=O)(O)O)Cl	2BY	phaclofen
+Cc1c-2nc(c3cc(ccc3nc2nn1)[N+](=O)[O-])c4ccccc4Cl	2BZ	5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine
+c1cc(ccc1[C@@H](CC(=O)O)CN)Cl	2C0	baclofen
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br	2C1	n-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
+c1ccc2c(c1)C=C[C@](O2)(C(=O)O)O	2C2	(2s)-2-hydroxy-2h-chromene-2-carboxylic acid
+COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c4cccc(c4)Cl	2C3	n-(5-{[(1r)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
+COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)OC	2C4	methyl 4-chloro-3-{[(2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)carbonyl]amino}benzoate
+Cn1cncc1[C@@H](c2ccc(cc2)C#N)OCc3c(cc(c(n3)Cl)C#N)c4cccc(c4)Cl	2C5	2-chloro-5-(3-chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3h-imidazol-4-yl)- methoxymethyl]-nicotinonitrile
+c1ccc(cc1)c2nnc(o2)C3CCC(CC3)NC(=O)CCSC4=Nc5ccccc5C(=O)N4	2C6	3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-n-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
+c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3	2C7	2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)NC(=O)CCC4=Nc5ccccc5C(=O)N4	2C8	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
+Cc1cccc(c1N)N	2C9	3-methylbenzene-1,2-diamine
+CC(C)C[C@@H](C(=O)N[C@H]1CCC[N@](CC1=O)S(=O)(=O)c2ccccn2)NC(=O)c3cc4ccccc4o3	2CA	benzofuran-2-carboxylic acid {(s)-3-methyl-1-[3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-ylcarbamoyl]butyl}amide
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2ccc(nc2)NCCN3CCN(CC3)C	2CB	6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)pyridine-3-sulfonamide
+c1cc2c(c[nH]c2c(c1)Cl)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5Cl	2CC	3,4-bis(7-chloro-1h-indol-3-yl)-1h-pyrrole-2,5-dicarboxylic acid
+CCN(CC)Cc1cccc(c1)c2cc(c(c(c2)Cl)S(=O)(=O)Nc3c(nn(c3C)C)C)Cl	2CD	3,5-dichloro-3'-[(diethylamino)methyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)biphenyl-4-sulfonamide
+[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)NCCOCCOCC(=O)N)NC(=O)CSc2ccc(cc2)Cl	2CE	n-[2-(2-carbamoylmethoxy-ethoxy)-ethyl]-2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide
+CC(=CCC/C(=C/CC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)/C)C	2CF	(2e,6e)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
+C1([C@H]([C@@H]1C(=O)O)C(=O)O)[C@@H](C(=O)O)N	2CG	(1r,2r)-3-[(s)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
+c1ccc(c(c1)O)Cl	2CH	2-chlorophenol
+c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C(=O)CC4(CCCC4)CC(=O)O	2CJ	(1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid
+c1ccc2c(c1)CCNC2	2CK	1,2,3,4-tetrahydroisoquinoline
+c1cc(c(c(c1)Cl)CC(=O)O)Cl	2CL	(2,6-dichlorophenyl)acetic acid
+Cc1cccc(c1N)Cl	2CM	2-chloro-6-methyl-aniline
+CCCCCCCCOc1cccc(c1)CSc2ccc(cc2C(=O)O)Br	2CN	5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid
+C([C@@H](C(=O)O)N)SOO	2CO	s-hydroperoxycysteine
+C[C@@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O	2CP	2-carboxypropyl-coenzyme a
+Cc1cc(c(cc1Cl)N)N	2CQ	4-chloro-5-methylbenzene-1,2-diamine
+C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)/C#N)O)C)C	2CR	(1r,2r)-2-[(2s,4e,6e,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid
+CC(C)(C)Sc1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)Cl)OCc4ccc5ccccc5n4	2CS	3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1h-indol-2-yl]-2,2-dimethylpropanoic acid
+COc1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)OC	2CT	(2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+Cc1c2c(c(sc2nc(c1Cl)OCC(=O)N3CCN(CC3)C)C(=O)NC4CC4)N	2CU	3-amino-5-chloro-n-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide
+CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O	2CV	hega-10
+C[C@H]([C@@](C)(C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O	2CW	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide
+CS(=O)(=O)N(Cc1ccco1)C[C@H](Cn2c3ccccc3c4c2cccc4)O	2CX	n-[(2s)-3-(9h-carbazol-9-yl)-2-hydroxypropyl]-n-(furan-2-ylmethyl)methanesulfonamide
+c1cc(cc(c1)F)OCCCOc2cccc3c2c(nc(n3)N)N	2CY	5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine
+CC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O	2CZ	n-[(3s,4r,5r,6s)-4,5,6-trihydroxyazepan-3-yl]acetamide
+c1cc2c(c(c1)Cl)nc(s2)N	2D0	4-chloro-1,3-benzothiazol-2-amine
+Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C	2D1	n-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
+Cc1c(cc(o1)c2ccccc2)C(=O)O	2D2	2-methyl-5-phenylfuran-3-carboxylic acid
+Cc1c(c(n[nH]1)c2ccno2)C(=O)OC	2D3	methyl 3-isoxazol-5-yl-5-methyl-1h-pyrazole-4-carboxylate
+c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O	2D4	n-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]thiophene-2-sulfonamide
+c1ccc2c(c1)C[C@@H](NC2)C(=O)NCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	2D5	5'-s-(3-{[(3r)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine
+c1ccc2c(c1)C(=O)NC(=N2)SCCC(=O)NC3CCC(CC3)Oc4ccc(cc4)C#N	2D6	n-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide
+CC(=O)c1ccc(cc1)NC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl	2D7	n-(4-acetylphenyl)-5-(5-chloro-2,4-dihydroxyphenyl)-1h-pyrazole-4-carboxamide
+C[C@@H](CP(=O)([C@@H](C)N)O)C(=O)O	2D8	(2r)-3-[(r)-[(1s)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+CS(=O)(=O)c1ccc(cc1)CN2CCN(CC2)c3cn[nH]c3c4cc(c(cc4O)O)Cl	2D9	4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1h-pyrazol-5-yl)benzene-1,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)COP(=O)(O)O)N	2DA	2',3'-dideoxyadenosine-5'-monophosphate
+[B-](O)(O)(O)OC[C@H](CO)O	2DB	(s)-(2,3-dihydroxypropoxy)trihydroxyborate
+CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O	2DC	(3alpha,8alpha,22r)-cholest-5-ene-3,20,22-triol
+c1cc(ccc1CNC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl)S(=O)(=O)N	2DD	3-(5-chloro-2,4-dihydroxy-phenyl)-1h-pyrazole-4-carboxylic acid 4-sulfamoyl-benzylamide
+CC(=CCC/C(=C/CC/C=C/CO[P@](=O)(O)OP(=O)(O)O)/C)C	2DE	(2e,6e)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
+C1[C@@H]([C@H](O[C@H]1NC=O)COP(=O)(O)O)O	2DF	n-(2-deoxy-beta-d-erytho-pentofuranosyl-5-phosphate) formamide
+C1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O	2DG	2-deoxy-alpha-d-galactopyranose
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3)C(F)(F)F	2DH	[5-methoxy-2-({[4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid
+c1nc2c(n1[C@H]3CC[C@H](O3)CO)N=CNC2=O	2DI	9-[(2r,5r)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6h-purin-6-one
+CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	2DJ	(2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1h-indol-1-yl)acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)N3CCOCC3	2DK	{5-methoxy-2-[(morpholin-4-ylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid
+CCN(CC)C(=O)c1ccc(c(c1)OC)O	2DL	2-methyl-4-diethylamide-phenol
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)COC[C@@H](COP(=O)(O)O)O	2DM	2-hydroxy-3-(pyren-1-ylmethoxy)propyl dihydrogen phosphate
+CC(=O)Nc1nnc(s1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	2DN	[2-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfonyl}carbamoyl)-5-methoxy-1h-indol-1-yl]acetic acid
+CCCC[C@@H](C(O)O)N	2DO	(2s)-2-aminohexane-1,1-diol
+CC(C)CCCC(C)CCCC(C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](CO[P@@](=O)(O)OC)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C	2DP	3-[[3-methylphosphono-glycerolyl]phosphonyl]-[1,2-di[2,6,10,14-tetramethyl-hexadecan-16-yl]glycerol
+COc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	2DQ	(5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid
+C1[C@@H]([C@H](O[C@H]1O)CO)O	2DR	2-deoxy-beta-d-erythro-pentofuranose
+c1cc(c(c(c1)O)O)C(=O)N[C@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O	2DS	n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2r)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-l-serine
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O	2DT	3'-deoxythymidine-5'-monophosphate
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccccc3	2DU	{2-[(benzylsulfonyl)carbamoyl]-5-methoxy-1h-indol-1-yl}acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccc(cc3)C(F)(F)F	2DV	[5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc4ccccc4c3	2DW	{5-methoxy-2-[(naphthalen-2-ylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid
+CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC	2DX	(3s,8ar)-2-[(2s)-2-cyclohexyl-2-{[(2s)-2-(methylamino)butanoyl]amino}acetyl]-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
+CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@@H]3Cc4ccccc4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC	2DY	(3s,10as)-2-[(2s)-2-cyclohexyl-2-{[(2s)-2-(methylamino)butanoyl]amino}acetyl]-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3[N+](=O)[O-])C(F)(F)F	2DZ	[5-methoxy-2-({[2-nitro-4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid
+CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)N3CCNCC3	2E1	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-piperazin-1-yl-1h-pyrazole-3-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)C(=O)O)P(=O)(O)O	2E2	1-{3,5-o-[(4-carboxyphenyl)(phosphono)methylidene]-2-deoxy-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+Cc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C	2E3	(2e)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid
+c1cc(cnc1)COP(=O)(O)OP(=O)(O)O	2E4	pyridin-3-ylmethyl trihydrogen diphosphate
+c1cnccc1COP(=O)(O)OP(=O)(O)O	2E5	pyridin-4-ylmethyl trihydrogen diphosphate
+c1ccnc(c1)COP(=O)(O)OP(=O)(O)O	2E6	pyridin-2-ylmethyl trihydrogen diphosphate
+c1cc(ncc1COP(=O)(O)OP(=O)(O)O)Cl	2E7	(6-chloropyridin-3-yl)methyl trihydrogen diphosphate
+CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N	2E8	3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C=CCc1cc(cc(c1O)CNCCCNC(=O)Nc2ccsc2)Cl	2E9	1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea
+c1ccc2c(c1)C(C=N2)C[C@@H](COc3cc(cnc3)c4ccc5cnccc5c4)N	2EA	(1s)-2-(1h-indol-3-yl)-1-{[(5-isoquinolin-6-ylpyridin-3-yl)oxy]methyl}ethylamine
+c1cscc1NC(=O)NCCCNCc2cc(cc(c2O)I)Cl	2EB	1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea
+CCn1cnc2c1ncnc2N	2EC	9-ethyl-9h-purin-6-ylamine
+CCCCCCCCCCCCC\C=C\[C@H]([C@@H](CO)NC(=O)C)O	2ED	n-[(1r,2r,3e)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide
+C=CCc1cc(cc(c1OCc2ccccc2)CNCCCNC(=O)Nc3ccsc3)Cl	2EE	1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea
+CCOc1c(cc(cc1I)Cl)CNCCCNC(=O)Nc2ccsc2	2EF	1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea
+CCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	2EG	2'-deoxy-n-ethylguanosine 5'-phosphate
+CCCC[C@H](CC)CO	2EH	(2s)-2-ethylhexan-1-ol
+C#Cc1cccc(c1)CNCCCNC(=O)Nc2ccsc2	2EJ	1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea
+c1cscc1NC(=O)NCCCNCc2cc(sc2Cl)Cl	2EK	1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCOCCO	2EL	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3- ol
+Cc1c(c2ccccc2s1)CNCCCNC(=O)Nc3ccsc3	2EM	1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea
+C=CCc1cc(cc(c1OCC=C)CNCCCNC(=O)Nc2ccsc2)Cl	2EN	1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea
+CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)oc5c4CCCC5	2EO	2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-3-yl)acetamide
+CC[C@H]1CCCCN1	2EP	2-ethylpiperidine
+CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)CN4CCOCC4	2EQ	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N\C=N/CC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)N	2ER	[(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[[(z)-[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
+CC1=CC(=O)Oc2c1ccc(c2CN[C@@H](CC(C)C)C(=O)O)O	2ET	n-[(7-hydroxy-4-methyl-2-oxo-2h-chromen-8-yl)methyl]-l-leucine
+c1cc(sc1)S(=O)(=O)N2CCN(CC2)c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O	2EU	1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol
+[H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3Cl	2EV	(3s,4s)-1-[(2-chlorophenyl)sulfonyl]-n-[(2e)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide
+[H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3	2EW	(3s,4s)-n-[(2e)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide
+CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2COCC4)c5cccnc5F)N=C1N	2EX	(4r,4a's,10a's)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'h-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1h)-one
+C[C@H](c1cn(nn1)c2ccc(cc2)Cl)OC3=CC(=O)Nc4c3cccc4	2EY	4-{(1r)-1-[1-(4-chlorophenyl)-1h-1,2,3-triazol-4-yl]ethoxy}quinolin-2(1h)-one
+CCc1[nH]ccn1	2EZ	2-ethylimidazole
+C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N)Cl	2F0	2-chloro-5-{[(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br	2F1	1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
+COC	2F2	dimethyl ether
+Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4cc5ccccc5nc4Cl	2F3	1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid
+CNc1cc(ccn1)c2cccnc2Oc3ccc(cc3)Nc4[nH]c5c(n4)ccc(c5F)F	2F4	2-{4-[(6,7-difluoro-1h-benzimidazol-2-yl)amino]phenoxy}-n-methyl-3,4'-bipyridin-2'-amine
+c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5	2F5	1h-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone
+Cc1c(cn(n1)C)c2cc[nH]n2	2F6	1',3'-dimethyl-1h,1'h-3,4'-bipyrazole
+CC[C@@H](C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F	2F7	n-(4-fluorobenzoyl)-l-alloisoleucyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O	2F8	methyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
+CC(C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F	2F9	n-(4-fluorobenzoyl)-l-valyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N	2FA	2-(6-amino-2-fluoro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+Cc1nc2c(s1)[C@@](N=C2N)(c3ccc(cc3)OC)c4cccc(c4)c5cncnc5	2FB	(6r)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine
+CN1CCN(CC1)C(=O)Nc2ccc3c(c2)[C@@H](CCC3)NC(=O)c4ccccc4	2FC	n-[(8r)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide
+c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)F)N	2FD	5-(6-amino-2-fluoro-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol
+c1cn2cnc3c(c2n1)ncn3[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F	2FE	2'-fluoro-2'-deoxy-1,n6-ethenoadenine
+c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN	2FF	(5-(aminomethyl)-2h-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O	2FG	2-deoxy-2-fluoro-beta-d-galactopyranose
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)c(c8[n+]7c(c6)C(=C8CCC(=O)O)C)c9ccccc9)C)C=C)C(=C3C=C)C	2FH	2-phenylheme
+c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=CNC2=O	2FI	2'-fluoro-2'-deoxyinosine
+C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C(C=CC=C6)C7=[N]4C=CC=C7)[N]8=C9C(=CC=C8)c1c(nc2c3c4c6c(c2n1)C=CC=[N]6[Ru+2]12([N]4=CC=C3)([N]3=C(C=CC=C3)C3=[N]1C=CC=C3)[N]1=C(C=CC=C1)C1=[N]2C=CC=C1)C1=C9[N]5=CC=C1	2FJ	tetrakis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~13~,n~14~)diruthenium(4+) l enantiomer
+[O-]=O	2FK	superoxo ion
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)F)O)O)O	2FL	2-fluoro-2-deoxy-lactose
+C(CSC(F)F)[C@@H](C(=O)O)N	2FM	s-(difluoromethyl)homocysteine
+CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	2FN	n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-d-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide
+C(=CO)C=C(C(=N)C(=O)O)C(=O)O	2FO	(2z,3z)-2-[(2z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid
+C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O	2FP	1,6-fructose diphosphate (linear form)
+Cc1ncc2c(n1)N(C(=O)C(=C2)N)C	2FQ	6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1c2cnc(cc2n(n1)c3cccc(c3)CCC(=O)N)N[C@@H](C)c4ccccc4	2FR	3-[3-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
+c1ccc2c(c1)CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O	2FS	(1s,2r)-2-{[(1s)-1-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
+C(CC(C(=O)O)(F)F)C(=O)O	2FT	2,2-difluoropentanedioic acid
+C(=CC=O)C=O	2FU	but-2-enedial
+c1ccc2c(c1)cc(s2)CC(=O)O	2FX	1-benzothiophen-2-ylacetic acid
+CCC(=O)c1ccc(cc1O)O	2FY	1-(2,4-dihydroxy-phenyl)-propan-1-one
+CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c3ccc(cc3)F)N4CCN(CC4)C5COC5	2FZ	(3r,4s)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2h-chromen-3-yl methylcarbamate
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N)O)O)O	2G0	(2s)-1-[(2s)-6-amino-2-({[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl]acetyl}amino)hexanoyl]-n-[(1s)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide
+Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F	2G1	4-(2-methyl-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzenesulfonamide
+C(CC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)[C@@H](C(=O)O)N	2G2	l-gamma-glutamyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
+CC(C)(C)CCN	2G3	3,3-dimethylbutan-1-amine
+c1ccc(cc1)CCCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	2G4	n-[(s)-hydroxy(4-phenylbutoxy)phosphoryl]-l-glutamic acid
+c1ccc(cc1)C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	2G5	n-[(s)-[(2s)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-l-glutamic acid
+CC(C)C[C@@H](C(=O)NCCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G6	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
+CC(C)C[C@@H](C(=O)NCC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G7	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-(isobutylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
+CCCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G8	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid
+CC[C@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G9	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(((s)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid
+Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC	2GA	2-[(3,5-dimethyl-1h-pyrazol-4-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
+c1ccc(cc1)c2ccc(cc2)COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	2GB	n-[(s)-(biphenyl-4-ylmethoxy)(hydroxy)phosphoryl]-l-glutamic acid
+CC(C)C[C@@H](C(=O)NCCc1ccccc1)NP(=O)(CNC(=O)OCc2ccccc2)O	2GC	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl)phosphonamidic acid
+CNc1cc(nc(n1)N)c2cccc(c2Cl)Cl	2GD	6-(2,3-dichlorophenyl)-n~4~-methylpyrimidine-2,4-diamine
+c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3	2GE	n~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
+C1[C@@H](O[C@@H](C1=O)COP(=O)(O)O)N2C=C(C(=NC2=O)N)Cl	2GF	[(2r,5r)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2h)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate
+CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	2GG	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide
+CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	2GH	n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-pentyl-beta-alaninamide
+CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)C(C)C)c3ccc(cc3)CN4CCOCC4	2GJ	5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
+B(c1c(c2ccccc2s1)/C=C/C(=O)O)(O)O	2GK	(2e)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid
+C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)OC(=O)C	2GL	4-o-acetyl-2,6-dideoxy-beta-d-galactopyranose
+C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C	2GM	dihydroergotamine
+c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)c6n[nH]nn6	2GN	n-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide
+CCC1=C(C2=Cc3c(c(c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(=C(C8=C7C)O)C(=O)OC)C9=[N]6C(=C4)C(=C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C	2GO	[methyl 9-acetyl-14-ethyl-20-hydroxy-4,8,13,18-tetramethyl-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,20,21-tetradehydrophorbine-21-carboxylatato(2-)-kappa~4~n~23~,n~24~,n~25~,n~26~]zinc
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N	2GP	guanosine-2'-monophosphate
+c1ccc2c(c1)C=C(NC2=O)N3CCCC3	2GQ	3-(pyrrolidin-1-yl)isoquinolin-1(2h)-one
+c1ccc(cc1)C(=O)NCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	2GR	n-[(s)-[2-(benzoylamino)ethoxy](hydroxy)phosphoryl]-l-glutamic acid
+CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O	2GS	2-o-methyl-alpha-d-galactopyranose
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC#C	2GT	2'-o-propargyl thymidine-5'-monophosphate
+CC1(CC(=O)Nc2c1ccc(c2)NC(=O)c3cc(ccc3F)c4ccc5c(c4)cnc(n5)N)C	2GU	5-(2-aminoquinazolin-6-yl)-n-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide
+CC1([C@@H](N(C(=O)O1)c2ccc(cc2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C	2GV	(4s)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
+c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O	2GW	5-phenyl-uridine-5'-alpha-d-galactosyl-diphosphate
+c1ccc(cc1)C(c2ccccc2)[C@@H](C(=O)O)N	2GX	beta-phenyl-l-phenylalanine
+CC1([C@@H](N(C(=O)O1)C2CCC(CC2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C	2GY	(4s)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
+CC(C)C[C@@H](C(=O)NCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2GZ	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid
+CC(C)CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2H0	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
+Cc1cc(cc2c1nc(cc2)OCc3ccccc3)c4c5c(ncnc5n(n4)C(C)C)N	2H1	3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)C(=O)NCCC(F)(F)F	2H2	4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-n-(3,3,3-trifluoropropyl)benzamide
+C1(C(C(C(C(C1O)O)O)O)O)O	2H3	(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
+c1cc(c(cc1C[C@H]2c3cc(c(cc3CCN2)O)O)O)O	2H4	(1s)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O	2H5	3-deoxy-3-fluoro-beta-d-galactopyranose
+c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(cc4)F	2H7	4-fluoro-n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide
+CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)N)C(=O)O	2H8	(3s,4r,5r)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+c1ccc(cc1)C(=O)N[C@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	2H9	n-[(s)-[(2r)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-l-glutamic acid
+C(C(=O)CO)O	2HA	dihydroxyacetone
+c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5	2HB	n-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
+c1ccc(c(c1)\C=C\C(=O)O)O	2HC	(2e)-3-(2-hydroxyphenyl)acrylic acid
+CCCCCCCC[P@@H](=O)OC[C@@H](COCCCC)OCCCC	2HD	(2r)-2,3-dibutoxypropyl (r)-octylphosphinate
+C(CP(=O)(O)O)O	2HE	(2-hydroxyethyl)phosphonic acid
+c1c([nH+]c([nH]1)F)C[C@@H](C(=O)O)N	2HF	2-fluoro-l-histidine
+C(CC(=O)O)[C@H](C(=O)O)O	2HG	(2r)-2-hydroxypentanedioic acid
+Cn1c(ccn1)C(=O)Nc2cccnc2	2HH	1-methyl-n-(pyridin-3-yl)-1h-pyrazole-5-carboxamide
+c1cc(ccc1[C@@H]2[C@H](Oc3cc(ccc3C2=O)O)O)O	2HI	(2s,3r)-2,7-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4h-chromen-4-one
+CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3	2HJ	4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-n-(pyridin-3-yl)benzamide
+COc1cc2cc-3c([nH][nH]c3c2cc1OCCN4CCCCC4)c5ccc(cc5)c6ccc(cc6)O	2HK	4'-{6-methoxy-7-[2-(piperidin-1-yl)ethoxy]-1,2-dihydroindeno[1,2-c]pyrazol-3-yl}biphenyl-4-ol
+c1ccc(cc1)C(=O)N2CCC(CC2)Cn3cnc4c3ccc(c4)C(=O)Nc5cccnc5	2HL	1-[(1-benzoylpiperidin-4-yl)methyl]-n-(pyridin-3-yl)-1h-benzimidazole-5-carboxamide
+CC(C)C[C@H](CC(=O)NO)C(=O)O	2HM	(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid
+C1[C@H]([C@@H](C(=O)[C@H]([C@]1(C(=O)O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O	2HN	(1r,2s,4s,5r)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
+c1cc(c(cc1C(=O)N)F)F	2HO	3,4-difluorobenzamide
+OP(=O)(O)[O-]	2HP	dihydrogenphosphate ion
+c1cc2c(cc1Cl)C(=O)C(=O)N2	2HQ	5-chloro-1h-indole-2,3-dione
+CCCCCC[P@@](=O)(O)OC[C@H](C)Cc1ccccc1	2HR	hexylphosphonic acid (r)-2-methyl-3-phenylpropyl ester
+CCCCCC[P@@](=O)(O)OC[C@@H](C)Cc1ccccc1	2HS	hexylphosphonic acid (s)-2-methyl-3-phenylpropyl ester
+Cc1cccc(c1)C#N	2HT	3-methylbenzonitrile
+c1cc2c(cc[nH]2)cc1[N+](=O)[O-]	2HU	5-nitro-1h-indole
+CC(=O)Nc1nc(cs1)C(=O)Nc2ccccc2N3CCCCC3	2HV	2-(acetylamino)-n-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
+c1cncc(c1N2CCC[C@@H](C2)N)NC(=O)c3c(nccn3)N	2HW	3-amino-n-{4-[(3s)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide
+C[C@H]1CN(C[C@H]([C@@H]1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	2HX	n-{4-[(3r,4r,5s)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
+CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3)C#N)C(=O)OCCO	2HY	2-hydroxyethyl (4r)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
+c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])/C=C\C(=O)O	2HZ	(2z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)I)N	2IA	2'-deoxy-2'-iodoadenosine 5'-(dihydrogen phosphate)
+Cc1ccccc1I	2IB	2-iodobenzyl group
+CN1C(=O)N(C(=O)[C@]12C[N@](C[C@H]2c3ccc(cc3)C#N)Cc4cc(cs4)C(=O)O)c5cc(cc(c5)Cl)Cl	2IC	5-[(5s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid
+CNc1c2c(nc(n1)I)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)O)OP(=O)(O)O	2ID	[(1r,2s,4s,5s)-4-[2-iodo-6-(methylamino)-9h-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
+CCC(=O)N1CCC[C@@H](C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N	2IE	2-(4-phenoxyphenoxy)-5-[(3r)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide
+c1cc(cc(c1)C(=O)NCCCC(=O)NCCC[C@H](C(=O)NO)NS(=O)(=O)c2ccc(cc2)OCc3cc(cc(c3)Br)Br)C(=O)NCCCC(=O)NCCC[C@H](C(=O)NO)NS(=O)(=O)c4ccc(cc4)OCc5cc(cc(c5)Br)Br	2IF	~{n}1,~{n}3-bis[4-[[(4~{r})-4-[[4-[[3,5-bis(bromanyl)phenyl]methoxy]phenyl]sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]amino]-4-oxidanylidene-butyl]benzene-1,3-dicarboxamide
+CCc1c(c(nc(n1)N)N)c2ccc3c4ccccc4n(c3c2)CCCOC	2IG	6-ethyl-5-[9-(3-methoxypropyl)-9h-carbazol-2-yl]pyrimidine-2,4-diamine
+c1cn(cn1)CCCCCCn2ccnc2	2IH	1,1'-hexane-1,6-diylbis(1h-imidazole)
+[H]/N=C\N1CCC[C@H](C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N	2IJ	5-{(3s)-1-[(z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
+Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N	2IK	6-[(2s)-2-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethyl]-4-methylpyridin-2-amine
+CCCCCCCCCCC[C@H](CC(=O)O)OC(=O)CCCCCCCCCCC	2IL	(3r)-3-(dodecanoyloxy)tetradecanoic acid
+C1CCNC(=N)C1	2IM	piperidin-2-imine
+c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N	2IN	n-(benzylsulfonyl)seryl-n~1~-{4-[amino(imino)methyl]benzyl}glycinamide
+CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C	2IO	(3s,6s)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
+[C@@H]1([C@H](C([C@@H]([C@H](C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O	2IP	d-myo-inositol-1,4-bisphosphate
+Cc1ccc(cc1Oc2nccc(n2)c3c(ncn3[C@@H]4CCN(C4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C(C)C	2IR	n,n-dimethyl-2-[(3r)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
+[H]/N=C(/CCC(=O)O)\C(=O)O	2IT	(2z)-2-iminopentanedioic acid
+Cc1ccnc2c1cccc2NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6	2IW	4-[(3ar,4s,7r,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(4-methylquinolin-8-yl)benzamide
+CN(CC(=O)N1CCN(CC1)c2nc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)F)N)C(=O)C5CCN(CC5)C(=O)C=C	2IX	n-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-n-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide
+Cc1cccc2c1nc3c(n2)C4=CC=C[N]5=C4C6=C3C=CC=[N]6[Ru+2]578([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81	2J0	(10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+)
+c1c2c(cc(c1Cl)C(=O)O)[nH]c3c2CCCC3	2J1	6-chloro-2,3,4,9-tetrahydro-1h-carbazole-7-carboxylic acid
+c1cc2c(cc1Cl)c3c([nH]2)[C@@H](CCC3)C(=O)O	2J2	(1r)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1-carboxylic acid
+C[C@H](CO)OC[C@@H](C)OC[C@@H](C)O	2J3	(2r)-2-{[(2r)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
+C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)SC(=N2)N)O)O)O	2J4	(3ar,5r,6s,7r,7ar)-2-amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+Cc1cccnc1NCc2ccccc2O	2J5	2-{[(3-methylpyridin-2-yl)amino]methyl}phenol
+c1cc(c(nc1)NCc2ccc(cc2O)F)c3ncccn3	2J6	5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol
+c1ccc(c(c1)CNc2cc(ncn2)NCc3ccccc3O)O	2J7	2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol
+CC(C)[C@H]1c2nc(c[se]2)C(=O)N[C@H](c3nc(c[se]3)C(=O)N[C@H](c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C	2J8	(4s,11s,18s)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
+c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3	2J9	4-cyclopropyl-7-fluoro-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+C/C(=C\CCP(=O)(O)OP(=O)(O)O)/CO	2JA	[(e)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid
+CCNCC(=O)O	2JC	n-ethylglycine
+CC(C)(COP(=O)(O)O)[C@H](C(=O)O)O	2JD	(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoic acid
+c1c(nc[nH]1)C(=O)SCCN	2JE	s-(2-aminoethyl) 1h-imidazole-4-carbothioate
+CC(C)C[C@@H](C(=O)NCCCC(=O)OC[C@@H](C=O)N)O	2JF	(2s)-2-amino-3-oxopropyl 4-{[(2s)-2-hydroxy-4-methylpentanoyl]amino}butanoate
+CCCCCC(=O)OC[C@@H](C=O)N	2JG	(2s)-2-amino-3-oxopropyl hexanoate
+C1CC(C1)C[C@@H](C(=O)O)N	2JH	3-cyclobutyl-l-alanine
+CCc1ccc2c(c1)c(c([nH]2)C)CC(=O)O	2JI	(5-ethyl-2-methyl-1h-indol-3-yl)acetic acid
+C(C[C@H](C(=O)O)N)CP(=O)(O)O	2JJ	5-phosphono-d-norvaline
+Cc1cc(c2c(c1)nc(cc2O)C(=O)O)C	2JK	4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid
+c1ccc2c(c1)ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O	2JL	(2s,3r)-1-(phenanthren-2-ylcarbonyl)piperazine-2,3-dicarboxylic acid
+c1cc(c(c(c1)Br)O)c2c(c(c([nH]2)Br)Br)Br	2JM	2-bromo-6-(3,4,5-tribromo-1h-pyrrol-2-yl)phenol
+CCCC[C@](C)(C(=O)O)N	2JN	2-methyl-d-norleucine
+c1ccc2cnc(cc2c1)NC(=O)CCC(=O)O	2JP	4-(isoquinolin-3-ylamino)-4-oxobutanoic acid
+Cc1cccc(n1)NC(=O)c2ccc(cc2C(=O)O)C(F)(F)F	2JQ	2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid
+c1cc2c(cc[nH]2)cc1c3ncc(s3)C4(CCCCC4)N5CCCC5	2JR	5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole
+CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO	2JT	1,3-dihydroxypropan-2-yl octadecanoate
+c1ccc2c(c1)cccc2CNC(=O)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	2JU	2'-deoxy-5-[(naphthalen-1-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
+c1cc2ccc(c3c2c4c1ccc(c4cc3)N)NC5=Nc6c(ncn6[C@H]7C[C@@H]([C@H](O7)COP(O)(O)O)O)C(=O)N5	2JV	n-(8-aminopyren-1-yl)-2'-deoxy-5'-o-(trihydroxy-lambda~5~-phosphanyl)guanosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)[N+](=O)[O-])P(=O)(O)O	2JW	1-{2-deoxy-3,5-o-[(4-nitrophenyl)(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)OC[C@H](O2)C3=NNC(=S)N3	2JX	5-[(2r)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione
+c1cc(c(c(c1)Cl)Cl)OCc2ccc(o2)C(=O)O	2JY	5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid
+COc1ccc(cc1OC)Nc2nc(nc(n2)Nc3ccc4c(c3)cccn4)NCCc5ccccc5F	2JZ	n~2~-(3,4-dimethoxyphenyl)-n~4~-[2-(2-fluorophenyl)ethyl]-n~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
+c1cc(c(cc1CO)C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl	2K0	[2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl}methanone
+Cc1ccc(o1)C(=O)O	2K1	5-methylfuran-2-carboxylic acid
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC	2K2	pkc412
+CC(C)CC(=O)CC(=O)O	2K3	3-oxo-5-methylhexanoic acid
+c1cc2cn[nH]c2cc1O	2K4	1h-indazol-6-ol
+Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4cc(cc(c4)OC)OC	2K5	n~4~-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl}-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
+CC(=O)C[C@@H](CC#N)c1ccc(cc1)OC	2K6	(3r)-3-(4-methoxyphenyl)-5-oxohexanenitrile
+Cc1cc(on1)CNc2nccc(n2)Nc3cc(n[nH]3)CCc4ccc(c(c4)OC)OC	2K7	n~4~-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
+C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O	2K8	(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid
+c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5	2K9	9-phenyl-4h-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one
+c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O	2KA	2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCCCC#N)O)C	2KB	4-{[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}butanenitrile
+CC1(CCN(CC1)Cc2ccn3c2c(ncn3)Nc4cc(cc(c4)Br)O)N	2KC	3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol
+COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)c2cc(c3cc(ccc3n2)c4cccc(c4)Cl)C(=O)O	2KD	6-(3-chlorophenyl)-2-{[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2cccc(c2)S(=O)(=O)N)Nc3ccc4c(c3)ccnc4N	2KE	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2ccccc2S(=O)(=O)C(C)C)Nc3ccc4c(c3)ccnc4N	2KF	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-[2-(propan-2-ylsulfonyl)benzyl]ethanamide
+CC1([C@@H](N(C1=O)c2cccc(c2)S(=O)(=O)C)c3ccccc3OC)C	2KG	(4s)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O	2KH	5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOCC	2KJ	n~5~-(n-ethoxycarbamimidoyl)-l-ornithine
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)F	2KK	n~6~-(4-fluorobenzoyl)-l-lysine
+CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN4CCCC4	2KL	2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide
+CCNC(=O)c1cc(cc(c1)C(=O)NCC)C(=O)NCC	2KN	n,n',n''-triethylbenzene-1,3,5-tricarboxamide
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCOCCn5cc(nn5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC	2KO	2-{2-[2-(2-{4-[(alpha-d-mannopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)Br	2KP	n~6~-(4-bromobenzoyl)-l-lysine
+C[C@](CC(=O)O)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	2KQ	 (3s)-3-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxidanyl-butanoic acid
+Cc1ccc(nc1)Nc2ccc(cc2)n3c4c(cccn4)nc3OC	2KR	n-[4-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine
+c1ccc(cc1)/C=C/COC2CCC(CC2)(CN)c3ccccc3	2KS	1-(cis-1-phenyl-4-{[(2e)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine
+CCC(=O)C(=O)O	2KT	2-ketobutyric acid
+COCCCNc1c2c([nH]cn2)ncn1	2KU	n-(3-methoxypropyl)-9h-purin-6-amine
+c1cc(cc(c1)Cl)C2(CCC(CC2)N3CCCCC3=O)CN	2KV	1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one
+CN1C(=NNC1=O)CN2C=CC(=C(C2=O)Oc3cc(cc(c3)Cl)C#N)C(F)(F)F	2KW	3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile
+c1ccc2c(c1)cc(c(n2)CCCCC[C@@H]3CCC[C@H]3OC(=O)O)O	2KX	(1r,2r)-2-[5-(3-hydroxyquinolin-2-yl)pentyl]cyclopentyl hydrogen carbonate
+C1CCC(C1)[C@@H](C(=O)O)N	2KY	(2s)-amino(cyclopentyl)ethanoic acid
+C(=C(\C(=O)O)/N)\C(=O)O	2KZ	2-amino maleic acid
+C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O	2L0	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-leucinamide
+Cc1c([nH]cn1)CN2CCc3ccccc3C2	2L1	2-[(4-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
+Cc1c([nH]cn1)CN2CCc3cccc(c3C2)N	2L2	2-[(4-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+C[C@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O	2L3	(2r)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
+C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)/N=C/C=O	2L4	1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
+c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl	2L5	2-chloro-l-phenylalanine
+C1C[C@]2(C=C[C@@H]3CC[C@H](N3C2=O)C(=O)O)NC1	2L6	(3s,6r,8as)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
+CC(C)(C(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N)Br	2L7	4-[(2-bromo-2-methylpropanoyl)amino]-l-phenylalanine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)Cn3cc(nn3)CO[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O	2L8	[(2r,3s,5r)-3-[(1-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate 
+C1CN[C@H]2[C@H]1C=C[C@H]3C=C[C@H](N3C2=O)C(=O)O	2L9	(3ar,5as,8s,10as)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid
+c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N)CN	2LA	2-amino-5-(aminomethyl)-7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C[C@@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O	2LB	(2s)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc(c(c(c3)F)C(=O)N)N[C@H]4CCOC4	2LC	2-fluoro-6-[(3s)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide
+c1ccc(cc1)CCC2=CNC(=O)C(=C2)O	2LD	3-hydroxy-5-(2-phenylethyl)pyridin-2(1h)-one
+CCCCC[C@H]1CC[C@@H](O1)O	2LE	(2r,5s)-5-pentyltetrahydrofuran-2-ol
+C1[C@@H]([C@H]2[C@H](c3nc4c(n3[C@@H]1O2)N=C(NC4=O)N)OP(=O)(O)O)O	2LF	(6s,7s,8s,10r)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4h-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate
+CCN(CC)S(=O)(=O)c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCC3)C#N)Cl	2LG	2-chloro-n-(3-cyano-5,6-dihydro-4h-cyclopenta[b]thiophen-2-yl)-5-diethylsulfamoyl-benzamide
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@]2(CCc3c(cn[nH]3)C2)c4cccc(c4)C(C)(C)C)O	2LI	n-[(1s,2r)-3-{[(5s)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1h-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
+CC/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O	2LJ	1-deoxy-1-({2,6-dioxo-5-[(e)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
+Cc1c(c(on1)C)c2ccc3c(c2)ncn3Cc4ccc(cc4)Cl	2LK	1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1h-benzimidazole
+Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5	2LL	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1h-benzimidazole
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CCSC)/C(=O)O)O	2LM	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-4-(methylsulfanyl)butanoic acid
+CCC(=O)N1CCOc2c(cc(cc2OC[C@@H]3CCCN(C3)C)c4ccc(c(c4)OC)OC)C1	2LN	1-[7-(3,4-dimethoxyphenyl)-9-{[(3r)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5h)-yl]propan-1-one
+Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C[C@H](C)N4CCOCC4)CCc5ccc(c(c5)Cl)OC	2LO	2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2s)-2-(morpholin-4-yl)propyl]-1h-benzimidazole
+C=CCc1ccccc1O	2LP	2-allylphenol
+c1cc(ccc1C[C@@H](C(=O)O)N)NC(=O)[C@@H]2CCC/C=C/CC2	2LQ	4-{[(1r,4e)-cyclooct-4-en-1-ylcarbonyl]amino}-l-phenylalanine
+CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	2LR	n-[(benzyloxy)carbonyl]-l-leucyl-n-{(1r,2s)-1-hydroxy-4-methyl-1-[(2r)-2-methyloxiran-2-yl]pentan-2-yl}-l-leucinamide
+CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)N	2LS	(1r,2s)-2-amino-4-methyl-1-[(2r)-2-methyloxiran-2-yl]pentan-1-ol
+c1c(cc(c(c1Cl)O)Cl)C[C@@H](C(=O)O)N	2LT	3,5-dichloro-l-tyrosine
+CC(C)C[C@@H](C)N	2LU	2-amino-4-methyl-pentanyl group
+CC(C)C[C@@H]([C@@H](C(=O)Nc1ccccc1)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	2LV	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s,3s)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-l-leucinamide
+CC(=O)N1CCc2c(c3cc(ccc3[nH]2)Cl)C1	2LW	1-(8-chloro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)ethanone
+CNC(=O)c1ccccc1OC2CCOCC2	2LX	n-methyl-2-(tetrahydro-2h-pyran-4-yloxy)benzamide
+CNC(=O)c1c2c(cs1)OCCO2	2LY	n-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
+c1cc2c(cc1F)c(c[nH]2)CC(=O)O	2LZ	(5-fluoro-1h-indol-3-yl)acetic acid
+CC(C)C[C@@H](CCS(=O)(=O)C)N	2M0	(3s)-5-methyl-1-(methylsulfonyl)hexan-3-amine
+CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	2M1	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(3s)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-l-leucinamide
+Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4	2M2	n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-n~4~-[5-(2-phenylethyl)-1h-pyrazol-3-yl]pyrimidine-2,4-diamine
+Cc1c(c2cccnc2[nH]1)[C@@H]3CCN(C3)C(=O)C4(CC4)c5ccccn5	2M3	2-methyl-3-{(3s)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1h-pyrrolo[2,3-b]pyridine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	2M4	2-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose
+C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O)O	2M5	methyl 7-deoxy-l-glycero-alpha-d-manno-heptopyranoside
+C[C@H]1[C@H]([C@H]([C@@H](N1)C#Cc2ccccc2)O)O	2M7	(2s,3r,4s,5s)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O	2M8	(2r)-3-hydroxy-2-(alpha-d-mannopyranosyloxy)propanoic acid
+COc1cc(c2ccc3c(cc(c4c3c2c1cc4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	2M9	8-methoxypyrene-1,3,6-trisulfonic acid
+CC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=N)N1	2MA	2-methyladenosine-5'-monophosphate
+CC=C(C)C	2MB	2-methyl but-2-ene
+CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	2MC	methacrylyl-coenzyme a
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@@H]([C@@H]([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N	2MD	guanylate-o'-phosphoric acid mono-(2-amino-5,6-dimercapto-4-oxo-3,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester
+CCOC	2ME	methoxyethane
+CNC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1	2MG	2n-methylguanosine-5'-monophosphate
+CC1CCC(CC1)N	2MH	cis-4-methylcyclohexanamine
+Cc1cc2ccccc2[nH]1	2MI	2-methyl-1h-indole
+CC(C)C[C@@H]([C@H](CO)O)N	2MJ	(2r,3s)-3-amino-5-methylhexane-1,2-diol
+CC(C)C[C@@H]([C@H](CO)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	2MK	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2r,3s)-1,2-dihydroxy-5-methylhexan-3-yl]-l-leucinamide
+CC(C)C[C@@](C)(C(=O)O)N	2ML	2-methylleucine
+CN(C)[C@@H](CCSC)C(=O)O	2MM	n,n-dimethyl-l-methionine
+Cc1ncc(n1CCO)[N+](=O)[O-]	2MN	metronidazole
+O=[Mo]=O	2MO	molybdenum (iv)oxide
+Cc1ccc(cc1C)O	2MP	3,4-dimethylphenol
+CNc1[nH]c2c(n1)cc3c(c2CCN)N=C(NC3=O)N	2MQ	6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CN/C(=N/C)/NCCC[C@@H](C(=O)O)N	2MR	n3, n4-dimethylarginine
+CC1(N[C@@H](CS1)C(=O)O)C	2MT	(4r)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	2MU	2',5-dimethyluridine-5'-monophosphate
+C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O	2MV	(1s,2s,3r,5z,7e,14beta,17alpha)-17-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol
+CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)c4ccc(cc4)N(C)Cc5cnc6c(n5)c(nc(n6)N)N)C(=O)O	2MX	(2s,2's)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name)
+Cc1cccc(c1O)C	2MY	2,6-dimethylphenol
+Cc1[nH]ccn1	2MZ	2-methylimidazole
+CCc1cc2c(n1Cc3ccccc3)CCCC2=O	2N0	1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4h-indol-4-one
+c1cc(c(cc1NC(=S)NCCCCCC=O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O	2N2	2-(3,6-dihydroxy-9h-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid
+CC(C)Oc1cc2c(cc1NS(=O)(=O)C)oc(c2C(=O)NC)c3ccc(cc3)F	2N5	2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide
+Cc1ccc(c(c1)C)c2c3c(c[nH]c3nc(n2)SC)C#N	2N6	4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]34C[C@H]3c5cc(ccc5-c6c(c7ccc(cc7n6C4)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8)OC	2N7	(1ar,12bs)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1r,5s)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide
+CS(=O)(=O)c1ccc(cc1Cl)[C@@H](C[C@H]2CCC(=O)C2)C(=O)Nc3cnccn3	2N8	(2r)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1r)-3-oxocyclopentyl]-n-(pyrazin-2-yl)propanamide
+CCOC(=O)c1cnc2ccccc2c1N	2N9	ethyl 4-aminoquinoline-3-carboxylate
+c1ccc2cc(ccc2c1)CO	2NA	naphthalen-2-ylmethanol
+c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])N	2NB	3-nitroquinolin-4-amine
+CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C	2NC	n-{(2s)-2-[(n-acetyl-l-threonyl-l-isoleucyl)amino]hexyl}-l-norleucyl-l-glutaminyl-n~5~-[amino(iminio)methyl]-l-ornithinamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC2=O	2ND	2'-deoxyinosine
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O	2NE	salicylyl coa
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)F)C(=O)N	2NF	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate
+Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O	2NG	4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)NC(=O)C	2NH	n-acetyl-s-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]-l-cysteinyl-d-valyl-l-isoleucyl-l-methionine
+CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO	2NI	n-{2-[(4'-cyano-1,1'-biphenyl-4-yl)oxy]ethyl}-n'-hydroxy-n-methylurea
+CN1c2ccccc2N[C@@H](CC1=O)c3ccccc3	2NJ	(4s)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+CN1CCN(CC1)c2ccc(cc2)c3ccncc3c4cc(c(c(c4)F)O)F	2NK	2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol
+CNC(=O)COc1cccc(c1)Nc2cc(ccn2)Cl	2NL	2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-n-methylacetamide
+COc1cccc(c1)c2cc([nH]n2)C(F)(F)F	2NM	3-(3-methoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole
+N(=O)[O]	2NO	nitrogen dioxide
+C=C(CCC[C@@H](C(=O)O)N)C(=O)O	2NP	l-2-amino-6-methylene-pimelic acid
+c1cc(ccc1F)S(=O)(=O)Nc2cc(cnc2Cl)c3ccc4c(c3)c(ccn4)N5CCOCC5	2NQ	n-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide
+COc1cccc(c1c2cccc3c2oc(n3)Nc4cc(c(c(c4)OC)OC)OC)F	2NR	7-(2-fluoro-6-methoxyphenyl)-n-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
+COc1cc(cc(c1OC)OC)Nc2nc3cccc(c3o2)c4cccc5c4[nH]cn5	2NS	7-(1h-benzimidazol-7-yl)-n-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCONCO	2NT	2'-o-[2-[hydroxy(methyleneamino)oxy]ethyl thymidine-5'-monophosphate
+CN(C1CC1)C(=O)Cn2cc(cn2)Br	2NU	2-(4-bromanylpyrazol-1-yl)-~{n}-cyclopropyl-~{n}-methyl-ethanamide
+CCOCCOCCOCCOCCOC[C@@H](C)N	2NV	3,6,9,12,15-pentaoxaoctadecan-17-amine
+c1ccc2c(c1)c(c(cn2)Br)N	2NW	3-bromoquinolin-4-amine
+COP(=O)(NC(=O)c1ccccc1)OC	2NX	dimethyl benzoylphosphoramidate
+CCN(CC)c1nc2ccccc2c(n1)N	2NY	n~2~,n~2~-diethylquinazoline-2,4-diamine
+CC(=O)Cn1cnc2c1cccc2	2NZ	1-(1h-benzimidazol-1-yl)propan-2-one
+c1ccc2c(c1)ncn2CCC(=O)N	2O0	3-(1h-benzimidazol-1-yl)propanamide
+c1ccc2c(c1)c3c(cn2)C(=O)CCN3	2O1	2,3-dihydrobenzo[h][1,6]naphthyridin-4(1h)-one
+c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/P(=O)(O)O)P(=O)(O)O	2O2	1-{2-deoxy-3,5-o-[phenyl(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-[(e)-2-phosphonoethenyl]pyrimidine-2,4(1h,3h)-dione
+C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cccc4	2O3	(3r)-n-[3-(3,4-dihydroquinolin-1(2h)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
+C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC	2O4	(3r)-n-[3-(7-methoxy-3,4-dihydroquinolin-1(2h)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
+c1cc(cc(c1)Cl)c2nc(nc(n2)Nc3ccc(cc3)CC(=O)O)C4CC4	2O5	(4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid
+c1cc2c(cc1C(F)(F)F)c(no2)N	2O6	5-(trifluoromethyl)-1,2-benzoxazol-3-amine
+c1cc(ccc1C[C@]23CCCN2C(=O)C(=C3C#N)c4cc(cc(c4)Cl)Cl)C#N	2O7	7a-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1h-pyrrolo[1,2-a]pyrrole-7-carbonitrile
+c1cc(ccc1C(=O)N)SC(F)(F)F	2O8	4-[(trifluoromethyl)sulfanyl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N	2OA	2'deoxyadenosine-5'-triphosphate
+CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C	2OB	cholesteryl oleate
+COc1cc2c(cc1OCCCN3CCCC3)N=C(C24CCC4)N	2OD	5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine
+Cc1cc(cc(n1)c2ccccc2)Oc3cccc(c3)O	2OE	3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol
+[OH2][Fe+2][OH2]	2OF	ferrous ion, 2 waters coordinated
+C(CC(=O)O)C(=O)C(=O)O	2OG	2-oxo-glutaric acid
+CC(C)(c1ccc(cc1)O)c2ccc(cc2)O	2OH	4,4'-propane-2,2-diyldiphenol
+CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	2OJ	n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide
+Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC	2OK	4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
+COCCNc1nc2ccc(cc2n1c3ccnc(n3)N)C#CC4(CCCCC4)O	2OL	1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1h-benzimidazol-6-yl}ethynyl)cyclohexanol
+C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O	2OM	5,6-dihydroorotidine 5'-monophosphate
+c1[nH]c2c(n1)C(=O)NC(=N2)S	2ON	2-sulfanyl-1,9-dihydro-6h-purin-6-one
+CCNc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC(C)(C)O	2OO	4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1h-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol
+C[C@@H](C(=O)O)O	2OP	(2s)-2-hydroxypropanoic acid
+Cc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC4(CCCCC4)O	2OQ	1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1h-benzimidazol-6-yl]ethynyl}cyclohexanol
+C([C@H]([C@@H]([C@@H](C(=O)O)N)O)O)NC(=[NH2+])N	2OR	amino{[(2r,3r,4s)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium
+CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)CO)O	2OS	3-n-octanoylsucrose
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON(C)C	2OT	2'-o-[2-(n,n-dimethylaminooxy)ethyl] thymidine-5'-monophosphate
+c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	2OU	(2-{[(1s,2r,3r,4r,5s,6s)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid
+c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OCc3ccccc3)OP(=O)(O)O)OP(=O)(O)O	2OV	(1r,2r,3r,4s,5s,6s)-3,6-bis(benzyloxy)cyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)]
+Cc1ccc(cn1)NC(=O)Nc2cccc(c2F)CN3CCN(CC3)C(=O)OC	2OW	methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate
+C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)c3ccccc3)O)O	2OX	(2s,3r,4s,5s)-2-methyl-5-(1-phenyl-1h-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol
+Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)[C@@H](CCl)O	2OY	n-[(2s,3s)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (bound form)
+c1cc(ccc1NC(=S)N2C[C@@H]([C@H]([C@H]([C@H]2CO)O)O)O)F	2OZ	(2r,3s,4r,5s)-n-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide
+C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O	2P0	1-({[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-l-proline
+c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3)C(F)(F)F	2P1	n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2h-pyrazolo[3,4-b]pyridine-5-carboxamide
+CC(C)(C)[C@H]1CC[C@H](N1C(=O)CCCc2ccccc2)C(=O)N3CCC[C@H]3[C@H](CO)O	2P2	1-[(2r,5s)-2-tert-butyl-5-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
+c1ccc2c(c1)OC[C@@H](O2)C3=NNC(=S)N3	2P3	5-[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione
+c1ccc(cc1)CNC(=O)C2=CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O	2P4	(5r)-n-benzyl-5-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)[nH]cn4	2P5	4-tert-butyl-n-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7h-purin-2-yl)phenyl]benzamide
+c1ccc(cc1)CCCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N	2P6	(2s)-1-[1-(4-phenylbutanoyl)-l-prolyl]pyrrolidine-2-carbonitrile
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)O	2P7	[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-(3-oxidanylazetidin-1-yl)methanone
+c1ccc(cc1)CNC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O	2P8	(2s)-n-benzyl-2-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
+c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	2P9	5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+NP(=O)(N)O	2PA	diamidophosphate
+c1ccc(c(c1)C(=O)[O-])O[P@H](=O)[O-]	2PB	2-[(dioxidophosphino)oxy]benzoate
+C1CC(=[NH+]C1)C(=O)[O-]	2PC	3,4-dihydro-2h-pyrrolium-5-carboxylate
+CC(C)CCN1C(=O)C(=C(C(=N1)c2ccccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OC	2PD	5-hydroxy-4-(7-methoxy-1,1-dioxido-2h-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2h)-one
+C(COCCOCCOCCOCCOCCOCCOCCOCCO)O	2PE	nonaethylene glycol
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34[N@@]2[C@@H](C[C@@H]4c5c(c(c(c(c5F)F)F)F)F)O)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O	2PF	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(1r,3r,3as)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]pentyl dihydrogen diphosphate
+C([C@H](C(=O)O)OP(=O)(O)O)O	2PG	2-phosphoglyceric acid
+C1C(=NC2=C(N1)N=C(NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O	2PH	[7,8-dihydro-pterin-6-yl methanyl]-phosphonophosphate
+CCC[C@@H](C(=O)O)N	2PI	2-amino-pentanoic acid
+CC(C)(C)OC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)F	2PJ	tert-butyl [(2s)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
+[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)O)/S1	2PK	(5~{e})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
+C(C(=O)O)OP(=O)(O)O	2PL	phosphoglycolic acid
+CN(C)CCOC(c1ccccc1)c2ccccc2	2PM	n-[2-(benzhydryloxy)ethyl]-n,n-dimethylamine
+N(P(=O)(O)O)P(=O)(O)O	2PN	imidodiphosphoric acid
+[O-]P(=O)[O-]	2PO	phosphonate
+CCCC(CCC)C(=O)O	2PP	2-propyl-pentanoic acid
+CCCc1cc(ccc1OCCCN2CCCc3c2cccc3OC(C)(C)C(=O)O)C(=O)c4ccc(cc4)c5ccccc5	2PQ	2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid
+c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	2PR	2-amino-9-[2-deoxyribofuranosyl]-9h-purine-5'-monophosphate
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)N	2PS	phenyl (3s)-3-amino-5-phenylpentane-1-sulfonate
+CNC(=[S][Pt+2]1[NH2]CC[NH2]1)N(C)CCNc2c3ccccc3[nH+]c4c2cccc4	2PT	1-[2-(acridin-9-ylamino)ethyl]-1,3-dimethylthiourea-platinum(ii)-ethane-1,2-diamine
+c1cc2c(c(c1)NC(=O)Nc3cc([nH]n3)[C@@H]4CCCN4)[C@@H]5CCCN5C2=O	2PU	1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-(5-pyrrolidin-2-yl-1h-pyrazol-3-yl)-urea
+[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)N)/S1	2PV	(5~{e})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one
+CC[C@@H](C)N1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S	2PW	(5~{e})-3-[(2~{r})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+Cc1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N	2PX	n-{1-[(5-methyl-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide
+c1cc2c(cc1c3cc(cnc3)OC[C@H](CC4=C5C=CC=CC5N=C4)N)cn[nH]2	2PY	(2s)-1-{[5-(1h-indazol-5-yl)pyridin-3-yl]oxy}-3-[(7as)-7ah-indol-3-yl]propan-2-amine
+c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN	2PZ	n-[1-(1h-indol-3-ylmethyl)piperidin-4-yl]glycinamide
+CC(C)CN1C(=O)/C(=C/c2ccc(cc2)O)/SC1=S	2Q0	(5~{z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
+C([C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O)O	2Q2	l-galactonic acid
+CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC(C)(C)O	2Q4	n-{(2r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide
+C[C@H](CO)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O	2Q5	(2r)-2-{[(2r)-2-{[(2s)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol
+COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3ccc(cc3)OCCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N	2Q6	methyl [(2s)-2-[4-({5-[4-({(2s)-2-[(3s)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate
+C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N2CCN(CC2)c3nc(nc(n3)N4CCOCC4)c5cnc(nc5C(F)F)N	2Q7	n-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide
+CC1(Cc2c(c3c(n2c4ccc(cc4)C(=O)N)CN(CC3)C)C(=O)C1)C	2Q8	4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9h-beta-carbolin-9-yl)benzamide
+CC(C)Nc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C	2Q9	2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5h-beta-carbolin-5-one
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)C5CCCC5)C(=O)NCC4	2QA	8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)-3,4-dihydroisoquinolin-1(2h)-one
+Cc1ncc(c(n1)N)CN=[N+]=[N-]	2QB	5-(azidomethyl)-2-methylpyrimidin-4-amine
+c1cc(ccc1CN)c2csnn2	2QC	1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine
+CNC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O	2QD	(4r)-4-[3-(methylamino)-3-oxopropyl]-l-glutamic acid
+COC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O	2QE	(2s,4r)-4-(3-methoxy-3-oxopropyl) glutamic acid
+c1cc2cc(ccn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F	2QF	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide
+c1cc(ccc1OCCCCCC/N=C(\NC#N)/Nc2ccncc2)Cl	2QG	2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
+Cc1cc(ccc1OC)[C@]2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(c(c4)c5cccnc5)F	2QH	(8r)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
+C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2cccc(c2)Br)(C(F)(F)F)O	2QJ	(2r)-n-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
+CC[C@H](c1ccccc1Cl)NC(=O)c2ccc3c(c2)c(n[nH]3)c4ccc(cc4)OC5CCN(CC5)C	2QK	n-[(1r)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1h-indazole-5-carboxamide
+c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@H]([C@@H]([C@@H](C6)O)O)O	2QL	(11r,12r,13r)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol
+c1cc(ccc1[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O)O	2QM	n~2~-{[(s)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](Cc2ccncc2)C(=O)O)I	2QN	n~2~-{[(1s)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+C=CCc1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O	2QO	(2e)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid
+c1cc(oc1)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O	2QP	n~2~-{[(1s)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+C#CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O	2QQ	n~2~-{[(1s)-1-carboxybut-3-yn-1-yl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H]2CO[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O	2QR	(2r,3r,4s,5s)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2h-pyr an-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](C[C@H]2CO2)C(=O)O)I	2QS	(2s)-2-[({(1s)-1-carboxy-2-[(2s)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid (non-preferred name)
+c1cc2c(cc1c3cc(cc(c3)F)NC(=O)CN4CCCC4)c(ncn2)N	2QT	n-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide
+c1cc(nc2c1ncnc2N)c3ccnc(c3)F	2QU	6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine
+c1cc(cc(c1)Cl)c2ccc3c(c2)c(ncn3)N	2QV	6-(3-chlorophenyl)quinazolin-4-amine
+Cc1ccc(cc1)NC(=O)[C@H](C2CCCCC2)NC(=O)[C@H](CC[Se]C)N	2QW	(2s)-2-amino-n-{(1s)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide
+COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)CCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N	2QX	methyl [(2s)-2-(5-{5-[4-({(2s)-2-[(3s)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
+CN/C(=C\c1ccc(cc1)O)/C(=O)O	2QY	(2z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid
+C[C@H]([C@@H](C(=O)O)N(C)C)O	2QZ	n,n-dimethyl-l-threonine
+C1[C@H](O1)/C(=C(\C(=O)O)/N)/CO	2R1	(2e)-2-amino-4-hydroxy-3-[(2r)-oxiran-2-yl]but-2-enoic acid
+Cc1c(cc2c(c1[N+](=O)[O-])sc(n2)C(=O)N3CCN(CC3)CCOC)C(F)(F)F	2R2	[4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone
+COc1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O	2R3	(betar)-beta-hydroxy-o-methyl-l-tyrosine
+c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6	2R4	8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4h-chromen-4-one
+Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCn4cccc4	2R5	n-tert-butyl-3-{[5-methyl-2-({4-[2-(1h-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)CC(C)C)C(=O)NCC4	2R6	8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)-3,4-dihydroisoquinolin-1(2h)-one
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)NC2(CC2)C(=O)O)I	2R7	n~2~-[(1-carboxycyclopropyl)carbamoyl]-n~6~-(4-iodobenzoyl)-l-lysine
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5ccc(cc5ccn4)OC)NC(=O)OC(C)(C)C	2R8	n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-l-prolinamide
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C	2R9	n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-l-prolinamide
+C([C@H](C(=O)O)N)N	2RA	3-amino-d-alanine
+COc1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	2RB	n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
+CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C	2RC	[6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
+CCCCCCCCCCCCSc1c(nn[nH]1)C(=O)O	2RD	5-(dodecylthio)-1h-1,2,3-triazole-4-carboxylic acid
+c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O	2RE	4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1h-imidazol-2-yl]phenol
+c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O	2RF	3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1h-pyrrole-2,5-dione
+C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O	2RG	(2s,3r,4s)-4-({(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1s,2r)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+CC(C)C[C@H](C(=O)O)O	2RH	(2r)-2-hydroxy-4-methylpentanoic acid
+C[C@@H](c1ccc(cc1)F)NC(=O)[C@@H](c2cccnc2)N(c3ccc4c5ccccc5oc4c3)C(=O)[C@@H](C)O	2RI	(2~{r})-~{n}-dibenzofuran-3-yl-~{n}-[(1~{r})-2-[[(1~{s})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide
+Cc1cccc(c1C)Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F	2RJ	2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidine
+C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2	2RK	4-[(5z)-5-(1-nitroso-2,3-dihydro-5h-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4h-imidazol-4-ylidene]-1,4-dihydropyridine
+COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)OCCN4C(=O)Nc5ccc(cc5)Cl	2RL	n-(4-chlorophenyl)-7-[(6,7-dimethoxyquinolin-4-yl)oxy]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
+c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F	2RM	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide
+c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O	2RN	3-[2-phenyl-4-(pyridin-4-yl)-1h-imidazol-5-yl]phenol
+CC(C)(C)c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O	2RO	5-[2-(4-tert-butylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CCC[C@@H](C)O	2RP	(2r)-pentan-2-ol
+COc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F	2RQ	4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine
+c1ccc2c(c1)nc(n2CC(=O)c3ccc(cc3)N)c4c(non4)NCCC#N	2RR	3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1h-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile
+Cc1cc(c(c(c1)C)Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C	2RS	4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
+Cc1cc(c(c(c1)C)Nc2ncnc(n2)Nc3ccc(cc3)C#N)C	2RT	4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
+CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F	2RU	1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
+CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)OC(F)(F)F	2RV	1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H](CCO4)O)O)O)N	2RW	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s)-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C([C@@H](C(=O)O)N)OP(=O)(O)S	2RX	o-thiophosphono-l-serine
+c1ccc(c(c1)CC(=O)N2CCN(CC2)c3c4c5c(sc4ncn3)CCC5)C(F)(F)F	2RY	1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
+[H]/N=C(\N[C@H](Cc1ccccc1)C(=O)NCc2ccc(c(c2)OC)OC)/NC(=O)Cc3ccc(c(c3)OC)OC	2RZ	n-(3,4-dimethoxybenzyl)-nalpha-{n-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-d-phenylalaninamide
+CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)OC(=O)C	2S0	[(8s,11r,13s,14s,17r)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen ta[a]phenanthren-17-yl] acetate
+COc1cc(c(cc1OC)Br)C(=O)N[C@@H](Cc2cccc(c2)Oc3ccccc3)[C@H](CN(CCc4ccc(cc4Cl)Cl)C(=O)CCN5C(=O)c6ccccc6C5=O)O	2S1	2-bromo-n-[(2s,3s)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide
+CCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	2S2	(2s)-2-(1h-indol-3-yl)hexanoic acid
+CCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	2S3	(2s)-2-(1h-indol-3-yl)pentanoic acid
+[H]/N=C(/NCc1ccc(cc1)C)\NC(=O)Cc2ccc(c(c2)OC)OC	2S4	2-(3,4-dimethoxyphenyl)-n-[n-(4-methylbenzyl)carbamimidoyl]acetamide
+c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2S6	4-(3-{4-[(r)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
+c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2S7	4-(3-{4-[(s)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile
+CC(C)(C)OC(=O)NCCCCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	2S8	(2s)-8-[(tert-butoxycarbonyl)amino]-2-(1h-indol-3-yl)octanoic acid
+c1cc(cc(c1)F)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2S9	4-(3-{4-[(r)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N[C@@H](CC(=O)O)C(=O)O	2SA	2-[9-(3,4-dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-9h-purin-6-ylamino]-succinic acid
+c1ccc(cc1)[C@@H](C(=O)N/N=C/c2ccc(c(c2)Br)O)N	2SB	(2s)-2-amino-n'-[(1e)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)CO)NCc4cccnc4	2SC	(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
+c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)S(=O)(=O)N)O	2SE	4-(3-{4-[(s)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide
+c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)N	2SF	4-(3-{4-[(r)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)(S)S)O)O)N=C(NC2=O)N	2SG	guanosine phosphorodithioate
+c1cc(c(cc1[C@@H](CO)NC(=O)N2CCc3cnc(nc3C2)NC4CCOCC4)Cl)F	2SH	n-[(1s)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2h-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6h)-carboxamide
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O	2SI	2-o-sulfo-a-l-iduronic acid
+CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)O)OC)OC)OC	2SJ	n-[(7s)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
+CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)NCc2ccccc2	2SK	(1r,2r,3r,4s,5r)-4-(benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol
+CCC[C@H](C)O	2SL	(2s)-pentan-2-ol
+Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC	2SM	methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
+CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N	2SN	7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine
+c1ccc(cc1)CCCCCCCCn2c[n+](cc2C[C@@H](C(=O)O)N)CC[C@H](CO)O	2SO	3-{3-[(3r)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1h-imidazol-3-ium-5-yl}-l-alanine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC	2SP	(1s)-2-(phosphonooxy)-1-[(stearoyloxy)methyl]ethyl stearate
+Cc1c(cc(c2c1CCCO2)F)C3=C(N(C(=O)c4c3cccc4)C)[C@@H](C(=O)O)OC(C)(C)C	2SQ	(2s)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2h-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid
+Cc1cc(c2c(c1)C(=C[C@H](O2)C3CCOCC3)O)c4ccc(c(c4)OC)OC	2SR	(2r)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2h-pyran-4-yl)-2h-chromen-4-ol
+C=CCN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	2SS	(2s)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)[Se]C	2ST	5-methyl-2'-se-methyl-2'-selenouridine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)c(c[nH]2)C[C@](CF)(C(=O)O)N	2SU	alpha-(fluoromethyl)-d-tryptophan
+CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	2SW	[(3r,5r,6s)-1-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
+c1cc2c(cc1Br)c(c[nH]2)CC(=O)O	2SX	(5-bromo-1h-indol-3-yl)acetic acid
+c1ccc2c(c1)c(cn2Cc3cccc(c3)Cl)CC(=O)O	2SY	[1-(3-chlorobenzyl)-1h-indol-3-yl]acetic acid
+CN1CCN(CC1)Cc2ccc(cn2)C#Cc3ccc(cc3)c4cc(cnc4n5cnc6c5cccc6)C(=O)NO	2SZ	6-(1h-benzimidazol-1-yl)-n-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide
+c1cc2c(cc1OP(=O)(O)O)-c3c(sc(n3)N)CC2	2T0	2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate
+c1ccc(c(c1)C2CCN(CC2)C(=O)Nc3ccccc3C(=O)O)C(F)(F)F	2T1	2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
+C#Cc1cccc(c1)Cn2cc(c3c2cccc3)CC(=O)O	2T2	[1-(3-ethynylbenzyl)-1h-indol-3-yl]acetic acid
+c1ccc(cc1)NC(=O)[C@@H]([C@H](C(=O)O)O)O	2T3	(2r,3r)-4-anilino-2,3-dihydroxy-4-oxobutanoic acid
+c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2	2T4	{[(2-amino-8h-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
+c1cc2c(c(c1)OCP(=O)(O)O)-c3c(scn3)C2	2T5	[(8h-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
+c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O	2T6	{[(7-carbamoyl-8h-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
+COc1ccc(cc1Cn2cc(c3c2cccc3)CC(=O)O)[N+](=O)[O-]	2T7	[1-(2-methoxy-5-nitrobenzyl)-1h-indol-3-yl]acetic acid
+C(#[O+])[Ir]([O-])(Cl)(Cl)(Cl)Cl	2T8	carbonyl(tetrachloro)oxidoiridium
+COc1ccc(cc1Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O)[N+](=O)[O-]	2T9	[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1h-indol-3-yl]acetic acid
+Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4	2TA	n-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
+C1[C@H]([C@@H](C([C@@H]([C@H]1[NH3+])O)O)O)[NH3+]	2TB	1,3-diamino-4,5,6-trihydroxy-cyclohexane
+C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C#N)O)N(C)C	2TC	(4s,4as,6s,8as)-6-[(1s)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonitrile
+CC(=O)CCCCCCCCCC=C	2TD	tridec-12-en-2-one
+CC#CC[C@@](c1ccc(cc1)[N@@]2CC[N@](C[C@@H]2C#CC)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O	2TE	(2r)-2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1-trifluorohex-4-yn-2-ol
+CC#C[C@H]1CN(CCN1c2ccc(cc2)[C@](CO)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N	2TF	(2s)-2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol
+CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=N)(=O)C(F)(F)F)S(=O)(=O)c3ccc(nc3)N	2TG	5-{[(3s)-3-(prop-1-yn-1-yl)-4-{4-[s-(trifluoromethyl)sulfonimidoyl]phenyl}piperazin-1-yl]sulfonyl}pyridin-2-amine
+c1ccc2c(c1)C[C@H]([C@@H]2O)NC(=O)c3cc4cc(sc4[nH]3)Cl	2TH	2-chloro-n-[(1r,2r)-1-hydroxy-2,3-dihydro-1h-inden-2-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide
+CCNC(=O)[C@@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)NC(=O)C	2TI	(2~{s})-2-[[[(3~{r})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
+CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=O)(=O)NC)S(=O)(=O)c3ccc(nc3)N	2TJ	4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]-n-methylbenzenesulfonamide
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br	2TK	2-(2-bromophenoxy)-5-hexylphenol
+C[C@H]([C@H](C(=O)O)N)O	2TL	d-allothreonine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O	2TM	5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine
+CC(C)NCC(COc1ccc(cc1)CC(=O)N)O	2TN	2-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)ethanamide
+c1cc(cnc1)c2cc(cnc2N3CCN(CC3)S(=O)(=O)c4ccc(nc4)N)C(C(F)(F)F)(C(F)(F)F)O	2TO	2-(2-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
+Cc1c(sc[n+]1Cc2cnc(nc2NO)C)CCO[P@](=O)(O)OP(=O)(O)O	2TP	2-(3-{[4-(hydroxyamino)-2-methylpyrimidin-5-yl]methyl}-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethyl trihydrogen diphosphate
+C1C[C@H](N2[C@@H]1CC2=O)C(=O)O	2TQ	(2s,5s)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+CN(C)C(=O)c1c(ccc(c1F)c2cnc3c(c2Cl)[C@@]4(CC[C@H](C4)O)CN3)N	2TR	6-amino-3-[(1s,3r)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-n,n-dimethylbenzamide
+[H]/N=C(\N)/NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	2TS	(2s)-n-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2r)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide
+c1ccc(c(c1)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl	2TT	2-chloro-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
+C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	2TU	1-(beta-d-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
+CC(=O)O/C=C/1\CSC(N=C1C(=O)O)C(C=O)NC=O	2TV	(2r,5z)-5-[(acetyloxy)methylidene]-2-[(1r)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N2[C@@H]([C@H](O[C@@H](C2=O)CC(=O)O)c3cccc(c3)Cl)c4ccc(cc4)Cl	2TW	[(2r,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
+CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CC[C@H]1C(O1)(C)C)/C)/C)C	2TX	(3s)-2,2-dimethyl-3-[(3e,7e,11e,15e)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
+c1ccc(cc1)C\C=N\c2cc(c(cc2O)O)C[C@@H](C(=O)O)N	2TY	2-hydroxy-5-{[(1e)-2-phenylethylidene]amino}-l-tyrosine
+CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	2TZ	[(2r,5r,6r)-4-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
+C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)Cc5ncc(s5)CC(=O)O	2U0	(2-{[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid
+C[C@@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O	2U1	6-{[(2s,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid
+c1c(nc(s1)N)/C(=N/OCC2=CC(=O)C(=CN2O)O)/C(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C=O	2U2	(2e)-2-({[(2s)-2-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid
+CC(C)([C@@H](CO)NC(=O)/C(=N\OCC1=CC(=O)C(=CN1O)O)/c2csc(n2)N)NOS(=O)(=O)O	2U3	(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-n-{(2s)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO/N=C(\C[C@@H](C(=O)O)N2C(=O)c3cc(c(cc3C2=O)O)O)/C(=O)O)C=O	2U4	(4z,8s,11e,14s)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid
+C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(cc3)Cl)c4cccc(c4)Cl)Cc5ccc(cn5)C(=O)O	2U5	6-{[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid
+C[C@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O	2U6	6-{[(2r,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid
+CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	2U7	[(2s,5r,6r)-4-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
+Cc1cccc(c1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC)O	2U8	mavoglurant
+Cc1ccc(cc1)OCc2nc(cs2)C(=O)N[C@H]3CCS(=O)(=O)C3	2U9	n-[(3s)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
+C1CNC(=O)[C@@H]1C[C@@H](CCC(=O)C2CC2)N	2UA	(3s)-3-[(2r)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one
+c1cc(ccc1/C=C(\C(=O)O)/S)Cl	2UB	(z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid
+[H]/N=C(\N)/NCc1cccc(c1)CC=O	2UC	1-[3-(2-oxoethyl)benzyl]guanidine
+c1cc2c(cc1Br)c(c[nH]2)CC(=S)C(=O)O	2UD	3-(5-bromo-1h-indol-3-yl)-2-thioxopropanoic acid
+[H]/N=C(/N)\NCc1ccc(cc1)CC=O	2UE	1-[4-(2-oxoethyl)benzyl]guanidine
+C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O	2UF	l-gulonate
+c1cnccc1Nc2nccc(n2)c3cnc(nc3CC4CC4)N	2UG	4'-(cyclopropylmethyl)-n~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine
+CCC(=O)NCCCNC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)C(=O)N1	2UH	n-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate)
+C[C@H](CC[C@H](CCO)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C	2UI	(3r,6r)-6-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol
+CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N1	2UJ	n-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate)
+CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N1	2UK	5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-n-[3-(propanoylamino)propyl]guanosine
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)[C@@H](c2ccccc2)N)(O)O	2UL	3-[(2r)-2-{[(2r)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid
+COC(=O)C(Cc1ccccc1)(Cc2ccc(cc2)NS(=O)(=O)O)C(=O)OC	2UN	{4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid
+CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O	2UO	mevastatin, compactin
+[H]/N=C(\c1ccc2ccccc2c1)/N	2UP	naphthalene-2-carboximidamide
+[H]/N=C/c1ncc(cn1)C(=O)NCc2ccccc2	2UQ	n-benzyl-2-[(z)-iminomethyl]pyrimidine-5-carboxamide
+C[C@@H]1Cc2cc(cc(c2O1)C(=O)N)F	2UR	(2r)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
+c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3O)O)/C2=O	2US	(2z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
+c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)OCCN4CCOCC4)/C2=O	2UT	(2z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
+Cc1ccc(c2c1cccc2)c3ccc(c(c3)NS(=O)(=O)c4ccc(cc4)Oc5ccccc5)C(=O)O	2UU	4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid
+CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O	2UV	4-hydroxy-4'-propylbiphenyl-3-carboxylic acid
+C[C@](c1cc(c(nc1)c2ccc(s2)S(=O)(=O)c3ccc(nc3)N)Cl)(C(F)(F)F)O	2UW	(2s)-2-(6-{5-[(6-aminopyridin-3-yl)sulfonyl]thiophen-2-yl}-5-chloropyridin-3-yl)-1,1,1-trifluoropropan-2-ol
+C[C@](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O	2UX	(2s)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol
+C[C@](c1ccc(nc1)c2ccc(nc2Nc3ccccc3)S(=O)(=O)c4ccc(nc4)N)(C(F)(F)F)O	2UY	(2s)-2-{6'-[(6-aminopyridin-3-yl)sulfonyl]-2'-(phenylamino)-2,3'-bipyridin-5-yl}-1,1,1-trifluoropropan-2-ol
+C1C=C(NC(S1)C(C(=O)O)N)C(=O)O	2UZ	(2r)-2-[(r)-amino(carboxy)methyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)N)C(=O)O	2V0	(2r)-2-[(r)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6	2V1	4-(methylsulfonyl)-n-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide
+Cc1c(cccc1N2C=Nc3cc(ccc3C2=O)C(C)(C)C)C4=CN(C(=O)C(=C4)NC(=O)NC)C	2V2	1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4h)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea
+CCN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7	2V3	6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2h)-one
+C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O)O)O	2V4	rabelomycin
+[H]/N=C(\N)/NOCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C	2V5	n-[(2s)-5-(carbamimidamidooxy)-1-oxo-1-{[(1e,3s)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
+Cc1cc(n2c(n1)nc(n2)C(F)(F)F)Nc3cc(c(c(c3)F)C(F)(F)F)F	2V6	n-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+C[C@@H]([C@H](c1ccc2cc(ccc2c1)OC)O)O	2V7	(1s,2s)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
+Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O	2V8	1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1h-imidazole-4-carboxylic acid
+C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)(CO)O	2V9	lestaurtinib
+CC(C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N	2VA	2'-(l-valyl)amino-2'-deoxyadenosine
+[H]/N=C(/N)\NOCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)/C=C/S(=O)(=O)c2ncccn2)NC(=O)N3CCN(CC3)C	2VC	n-[(2s)-5-(carbamimidamidooxy)-1-oxo-1-{[(1e,3s)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
+c1ccc(cc1)C[C@H](C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2C[C@@H](CC4)C(=O)O)Br	2VD	(2r)-6-bromo-9-(2-{[(1r)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+c1cc2c(cc1Br)c3c(n2CC(=O)NCC(=O)O)C[C@@H](CC3)C(=O)O	2VE	(2r)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+c1cc2c(cc1Cl)c3c(n2CC(=O)N)C[C@@H](CC3)C(=O)O	2VF	(2r)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+c1cc2c(cc1Cl)c3c([nH]2)C[C@@H](CC3)C(=O)O	2VG	(2r)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+CS(=O)(=O)n1cc2c(n1)CN(C2)[C@@H]3C[C@@H]([C@H](OC3)c4cc(c(cc4F)F)F)N	2VH	(2r,3s,5r)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4h)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2h-pyran-3-amine
+CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)Sc4[nH]c(cn4)C(=O)O	2VJ	2-[(2-{(1s,2s)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1h-imidazole-5-carboxylic acid
+c1ccc(cc1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2VK	4-(3-{4-[(s)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
+Cc1c(cccc1NC(=O)c2cc3c(s2)CCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)[C@@H]6C(=O)N(CCN6C)C)C	2VL	n-{3-[6-({4-[(2r)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2C[C@@H](CC4)C(=O)O)Br	2VM	(2r)-6-bromo-9-(2-{[(1s)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3	2VN	2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid
+CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C	2VO	phytochromobilin, bound form
+Cc1ccc2c(c1)/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2	2VP	(2e,4e,6z,8e)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
+Cc1ncc(n1CCNS(=O)(=O)N)[N+](=O)[O-]	2VQ	n-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]sulfamide
+Cc1cccc2c1/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2	2VR	(2e,4e,6z,8e)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
+C(=C/C=O)\C=C(\C(=O)O)/O	2VS	(2z,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid
+c1ccc2c(c1)c([nH]n2)C(=O)Nc3cnn(c3)Cc4cccc(c4)C#N	2VT	n-[1-(3-cyanobenzyl)-1h-pyrazol-4-yl]-2h-indazole-3-carboxamide
+c1cc(cc(c1)C#N)Cn2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5	2VU	n-[1-(3-cyanobenzyl)-1h-pyrazol-4-yl]-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide
+CN(C)CC[C@@H](c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5	2VV	n-{1-[(1s)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide
+CN(C)CC[C@H](c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5	2VW	n-{1-[(1r)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide
+CCCS(=O)(=O)Nc1ccc(c(c1F)N(C)c2ccc3c(c2)C(=O)N(C=N3)C)F	2VX	n-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide
+Cc1c(csc1C=O)Cc2cnc(nc2N)C	2VY	4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde
+Cc1ccc\2c(c1)CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C	2VZ	(2e,4e,6z,8e)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
+Cc1cccc\2c1CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C	2W0	(2e,4e,6z,8e)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
+c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(cccn4)C5CCOCC5	2W1	1h-benzimidazol-2-yl(4-{[3-(tetrahydro-2h-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](CCC(=O)O)C(=O)O	2W2	n-[(1s)-4-carbamimidamido-1-carboxybutyl]-d-glutamic acid
+CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)C4=NC(=C(C(=O)N4)C(=O)N)O	2W3	2-[2-[(1s,2s)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1h-pyrimidine-5-carboxamide
+c1cc(ccc1c2ccc3c(c2)cco3)N4C(=NNC4=O)C[C@@H]5CCN(C5)C(=O)C6CC6	2W4	4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3s)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3h-1,2,4-triazol-3-one
+COc1cc(nc(n1)[C@@H]2CCCC[C@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)OC	2W5	(1r,2r)-n-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide
+CC1(CCc2c([nH]nc2C(=O)Nc3cnn(c3)[C@@H](CCN(C)C)c4ccccc4)C1)C	2W6	n-{1-[(1s)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxamide
+c1ccc(c(c1)C(=O)NCC(=O)NC23CC4CC(C2)CC(C4)C3)S	2W7	n-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide
+c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])CCC(=O)O	2W8	3-(3'-nitrobiphenyl-3-yl)propanoic acid
+c1cc(cc(c1)c2ccc(o2)[N+](=O)[O-])CCC(=O)O	2W9	3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid
+CCCCCCCCCCCCCC[C@@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCC)O	2WA	(1s,8e)-1-{[(2s)-1-hydroxy-3-{[(1s)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol
+c1ccc(c(c1)CC(=O)O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-]	2WB	{2-[5-(3-nitrophenyl)furan-2-yl]phenyl}acetic acid
+Cc1c(cccc1C(=O)O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N	2WC	3-[2-azanyl-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methyl-benzoic acid
+CCCCC[C@H](O)OC[C@H](CO)O[C@H](CCCC)O	2WD	(1r)-1-{[(2s)-3-hydroxy-2-{[(1r)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol
+COc1c(sc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N	2WE	2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide
+c1cc(cc2c1ccnc2)c3ccnc(c3)NC(=O)C4CC4	2WF	n-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide
+COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N	2WG	2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide
+CCCn1cc(nc1)CCNC(=O)Nc2nc3ccc(cc3s2)c4cc(cnc4)OC	2WH	1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1h-imidazol-4-yl)ethyl]urea
+Cc1c(cnc2c1C3(CC3)C=N2)c4ccc(c(c4F)C(=O)N(C)C)N	2WI	6-amino-2-fluoro-n,n-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide
+CC(=O)Nc1nc2ccc(cc2s1)c3cccnc3	2WJ	n-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
+CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)OC)OC	2WK	n-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
+c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl	2WL	(1-benzyl-1h-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone
+CCCCCCCCCCCCCCCCC[C@@H](O)O[C@@H](CO)CO[C@@H](CCCCCC/C=C/CCCCCCCCC)O	2WM	(1s,8e)-1-{[(2s)-3-hydroxy-2-{[(1s)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol
+c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)OS(=O)(=O)F	2WN	4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate
+C(CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)[C@@H](C(=O)O)N	2WP	s-ribosylhomocysteine
+C#CCNC(=O)c1ccc(cc1OCC(=O)O)F	2WQ	[5-fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy]acetic acid
+c1cc(c(cc1F)OCC(=O)O)C(=O)N	2WR	(2-carbamoyl-5-fluorophenoxy)acetic acid
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O)O)O)O	2WS	beta-d-xylopyranosyl-(1->4)-beta-d-xylopyranosyl-(1->4)-beta-d-xylopyranose
+Cn1c2cc(c(cc2c(c1c3cccc(c3)NC(=O)CCC(=O)NCc4ccc5c(c4)OCO5)I)C(=O)O)O	2WT	2-[3-({4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoyl}amino)phenyl]-6-hydroxy-3-iodo-1-methyl-1h-indole-5-carboxylic acid
+CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N	2WU	6-amino-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@H](CC[C@@H](CCO)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C	2WV	(3s,6r)-6-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol
+CC(C)C[C@@H](N)P(=O)(O)O	2WW	[(1s)-1-amino-3-methylbutyl]phosphonic acid
+c1ccc2c(c1)cc(s2)[C@@H](c3ccccc3Cl)NS(=O)(=O)c4ccc5c(c4)OCCCO5	2WX	n-[(r)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonamide
+c1ccc(cc1)[C@H](c2cc3ccccc3o2)NS(=O)(=O)c4ccc5c(c4)OCCCO5	2WY	n-[(r)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonamide
+CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)[C@@H](c4c(cnc(c4F)N)Cl)NS(=O)(=O)C5CC5)O	2WZ	n-[(r)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide
+c1ccc(cc1)CC[C@H](N)P(=O)(O)O	2X0	[(1r)-1-amino-3-phenylpropyl]phosphonic acid
+[H]/N=C(/c1ccc(cc1)NC(=O)Nc2cccc(c2)CN)\N	2X1	4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide
+C(C1C2(C(C(O1)N3C2NC4=C3N=C(NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	2X3	(8s)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate
+c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@@H]5CCOC[C@H]5O2	2X4	(4r,4a's,10a's)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'h-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine
+c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@H]5CCOC[C@@H]5O2	2X5	(4r,4a'r,10a'r)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'h-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine
+c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)N[C@@H]5CCCC[C@@H]5N)N=CNC4=O	2X6	7-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3h)-one
+[H]/N=C/1\C=CC=COC1=O	2X7	(3e)-3-iminooxepin-2(3h)-one
+Cc1c(cc(c(n1)C)CC(=O)O)Cc2nc3c(c(cc(c3s2)F)F)F	2X9	{2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid
+c1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)Cl)SC[C@@H](C(=O)O)N	2XA	(2r)-2-amino-3-[(4-chlorophenyl)-diphenyl-methyl]sulfanyl-propanoic acid
+c1cc(ccc1Cc2c[nH]c3c2c(nc(n3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2XB	n-{4-[(2-amino-4-hydroxy-7h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-l-glutamic acid
+c1ccc(cc1)[C@H]2CCCN(C2)/C=C/C(=O)c3ccccc3O	2XC	(2e)-1-(2-hydroxyphenyl)-3-[(3r)-3-phenylpiperidin-1-yl]prop-2-en-1-one
+c1ccc(c(c1)C(=O)/C=C/N2CCc3c[nH]nc3C2)O	2XD	(2e)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one
+c1cc(ccc1S)Br	2XE	4-bromobenzenethiol
+CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC1)C(=O)N(Cc2cccc(c2Cl)Cl)C3CC3	2XF	tert-butyl {(3s,5r)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]piperidin-3-yl}carbamate
+c1cc(c(cc1S)F)F	2XG	3,4-difluorobenzenethiol
+c1ccc2c(c1)cccc2S	2XH	naphthalene-1-thiol
+C[C@H](C(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C)O	2XI	(2~{r})-~{n}-[(1~{r})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{n}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide
+CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3cc(nc(n3)N)N	2XJ	1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol
+COc1cc(c(cc1OC)[N+](=O)[O-])CC(=O)c2ccc(cc2)C#N	2XK	4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile
+CCCc1c(nc(s1)c2ccc(c(c2)O)OC)CSc3nc(cc(n3)N)N	2XL	5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol
+CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OCCO)CSc3nc(cc(n3)N)N	2XM	2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol)
+Cc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)[C@@H](C)Sc3nc(cc(n3)N)N	2XN	n-{2-[5-(4-{(1r)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide
+c1ccc2c(c1)[nH]c(n2)CS	2XO	1h-benzimidazol-2-ylmethanethiol
+[H]/N=C(/C/C=C\C=O)\C(=O)O	2XP	(2z,4z)-2-imino-6-oxohex-4-enoic acid
+Cc1c(oc2c1c(ccc2)OCCCNCc3cccnc3)COc4ccc(c(c4F)F)F	2XQ	3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-n-(pyridin-3-ylmethyl)propan-1-amine
+c1ccc2c(c1)c(c[nH]2)C(=O)CCl	2XR	2-chloro-1-(1h-indol-3-yl)ethanone
+c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6	2XS	4-[(3ar,4r,7s,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide
+CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4ccccc4)O)O)NC(=O)C	2XT	propyl 2-(acetylamino)-4-o-{3-o-[(1-benzyl-1h-1,2,3-triazol-4-yl)methyl]-beta-d-galactopyranosyl}-2-deoxy-beta-d-glucopyranoside
+CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)CC(=O)c4cccc(c4)O)O)O)NC(=O)C	2XU	propyl 2-(acetylamino)-2-deoxy-4-o-[3-o-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1h-1,2,3-triazol-4-yl}methyl)-beta-d-galactopyranosyl]-beta-d-glucopyranoside
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)c4nc([nH]n4)N)O)O	2XW	prop-2-en-1-yl 2-(acetylamino)-4-o-(3-o-{[1-(5-amino-1h-1,2,4-triazol-3-yl)-1h-1,2,3-triazol-4-yl]methyl}-beta-d-galactopyranosyl)-2-deoxy-beta-d-glucopyranoside
+CC[C@@H]1C(=O)C(=C(O1)C)O	2XX	(2r)-2-ethyl-4-hydroxy-5-methylfuran-3(2h)-one
+c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NN2CCOCC2	2XY	n-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine
+CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OC)CSc3nc(cc(n3)N)N	2XZ	2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol
+CCCc1c(nc(s1)c2cccc(c2)OCCNS(=O)(=O)C)CSc3nc(cc(n3)N)N	2Y0	n-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide
+CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N	2Y1	(r)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
+CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@@H](C[C@@H](CC#C)C(=O)NCCN2CCOCC2)O)NC(=O)c3[nH]c4ccccc4n3	2Y2	n-[(2r)-1-{[(2s,3r,5r)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1h-benzimidazole-2-carboxamide
+CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)C(=O)NC	2Y3	n-(tert-butoxycarbonyl)-l-phenylalanyl-n-[(2s,3s,5r)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-l-histidinamide
+CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C(C(=O)NC)(F)F)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3	2Y4	n-[(2s)-1-[[(2s)-1-[[(2s,3r)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC	2Y5	(2r)-1-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)[C@@H](c4ccccc4Cl)NS(=O)(=O)C5CC5)O	2Y6	n-[(r)-(2-chlorophenyl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide
+Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@H](C)Sc3nc(cc(n3)N)N	2Y7	(s)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
+Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N	2Y8	(r)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
+CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3	2Y9	(3s,4r,5r)-n-cyclopropyl-n'-[(2r)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-n-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide
+C[C@H](c1cn(nn1)c2ccc(cc2)Cl)Oc3cc[n+](c4c3cccc4)[O-]	2YA	4-[(1r)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline
+Cc1cc(cc(c1c2cccc(c2)COc3ccc4c(c3)OC[C@H]4CC(=O)O)C)OCCCS(=O)(=O)C	2YB	[(3s)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
+C[C@H]1CC=N[C@@H]1C(=O)NCCCC[C@@H](C(=O)O)N	2YC	n~6~-{[(2s,3s)-3-methyl-3,4-dihydro-2h-pyrrol-2-yl]carbonyl}-l-lysine
+C[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C3=C(C(=O)C(=C4[C@@H]3C[C@@](O4)([C@H](C[C@@H](C/C(=C1)/C)C)C)O)C)O)C)O)C	2YD	(5r,6r,7s,8r,9r,12s,13e,16s,18s,19r,20ar)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5h)-one
+CN(C)C(=O)c1cc(ccc1N)c2cc3cc[nH]c3nc2	2YE	2-amino-n,n-dimethyl-5-(1h-pyrrolo[2,3-b]pyridin-5-yl)benzamide
+C1CC=N[C@H](C1)C(=O)NCCCC[C@@H](C(=O)O)N	2YF	n~6~-[(2r)-2,3,4,5-tetrahydropyridin-2-ylcarbonyl]-l-lysine
+C(CCN)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)N	2YG	n~6~-l-lysyl-l-lysine
+C(C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N)CN	2YH	n~5~-d-ornithyl-l-ornithine
+CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br	2YI	methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate
+C(CCN)C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N	2YJ	n~5~-d-lysyl-l-ornithine
+Cn1cc(cn1)c2nnc3n2nc(cc3)Sc4cc(ccc4OC)OC	2YK	6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine
+c1ccc(cc1)C2=NC(=O)NC(=N2)N	2YL	6-amino-4-phenyl-1,3,5-triazin-2(1h)-one
+c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC(=NC2=O)N	2YM	6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O	2YN	(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]
+c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC=NC2=O	2YO	2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C	2YP	(2r)-2-[[(1r,2s,3r,4r,5r)-4-acetamido-2-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid
+Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F	2YQ	(8s,9r)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1h-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3h-pyrido[4,3,2-de]phthalazin-3-one
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCCS)COP(=O)(O)O)O	2YR	2'-deoxy-n-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)
+CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)[C@@H](CCl)O)NC(=O)[C@@H](C(C)C)N	2YS	d-valyl-n-[(2s,3s)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-l-leucinamide
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](CCl)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)N	2YT	l-phenylalanyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide
+CC1=CC(=S)N(C=C1)O	2YU	1-hydroxy-4-methylpyridine-2(1h)-thione
+c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N	2YV	6-amino-2-[(2-phenylethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+COC(=O)c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N	2YW	methyl 4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoate
+c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C#N	2YX	4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzonitrile
+c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C(=O)O	2YY	4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoic acid
+c1ccc(cc1)CNC(=O)c2ccc(cc2OCC(=O)O)F	2YZ	[2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid
+CN(C)c1cccc2c1ccc(c2)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)CCl	2Z0	n-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-l-alpha-glutamyl-n-[(1s)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide
+	2Z3	n-(morpholin-4-ylcarbonyl)-l-phenylalanyl-n-[(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-l-norleucinamide
+CC(C)[C@@H](C(=O)NCc1ccc(cc1O)OC)NC(=O)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OCc3ccccc3)O)NCc4ccc(cc4)OC	2Z4	benzyl [(1r)-1-({(1s,2s,3s)-1-benzyl-2-hydroxy-4-({(1s)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate
+	2Z5	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
+c1cc(ccc1CCN)S(=O)(=O)OC[C@@H](C(=O)O)N	2ZC	o-{[4-(2-aminoethyl)phenyl]sulfonyl}-l-serine
+C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O	2ZE	(3r,4r,4ar,6as,8r,9r,11as,11bs)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale ne-3,9-diol
+	2ZF	n-(tert-butoxycarbonyl)-l-alpha-glutamyl-n-[(1r)-1-(carboxycarbonyl)-3,3-difluoropropyl]-l-leucinamide
+Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F	2ZI	8-methyl-2-[4-(trifluoromethyl)phenyl]-3h-quinazolin-4-one
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO	2ZL	n~2~-benzyl-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+c1cc2c(cc1[N+](=O)[O-])nc[nH]2	2ZM	5-nitro-1h-benzimidazole
+C[N+](C)(C)CCCC=O	2ZO	n,n,n-trimethyl-4-oxobutan-1-aminium
+c1cc2cccnc2c(c1)[N+](=O)[O-]	2ZQ	8-nitroquinoline
+CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3)O	2ZS	n-(morpholin-4-ylcarbonyl)-l-phenylalanyl-n-[(1r,2s)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-s-methyl-l-cysteinamide
+c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3	2ZT	2-[(quinolin-7-yloxy)methyl]quinoline
+Cc1nc2cc(ccc2s1)OCc3ccc4ccccc4n3	2ZU	2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline
+Cc1ccnc(c1[N+](=O)[O-])N	2ZV	4-methyl-3-nitropyridin-2-amine
+Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C	2ZW	3-(2-chlorophenyl)-5-methyl-n-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
+c1c(nc(nc1Cl)N)N	2ZX	6-chloropyrimidine-2,4-diamine
+CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(F)(F)F	2ZY	(5z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4h-imidazol-4-one
+CC1=N/C(=C\c2cccc(c2)Br)/C(=O)N1C	2ZZ	(5z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one
+COc1cccc(c1OP(=O)(O)O)C=O	300	2-formyl-6-methoxyphenyl dihydrogen phosphate
+C\C=C/C\C=N\c1c2c([nH]cn2)ncn1	301	n6-(penta-2,3-dienyl)adenine
+c1cc(ccc1\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2)C(=O)O	302	4-[(1e,7e)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
+CC(C)[C@H]1c2cc(ccc2CCN1)NC(=O)c3ccc4cc(ccc4c3)C(=N)N	303	6-[(z)-amino(imino)methyl]-n-(1-isopropyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-naphthamide
+CC[C@@H](C)Nc1ncc(s1)C(=O)Nc2cc(ccc2C)C(=O)NC	304	n-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1r)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
+c1cc2c(cc1CN3CCCCC3)cc([nH]2)C4=Cc5cc(ccc5NC4=O)c6c[nH]nc6	306	3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-pyrazol-4-yl)quinolin-2(1h)-one
+Cc1cc2c(cc1C)OC=C(C2=O)CN(C)CCN(C)Cc3cn(c4c3cccc4)c5cccc(c5)C(F)(F)F	307	6,7-dimethyl-3-[(methyl{2-[methyl({1-[3-(trifluoromethyl)phenyl]-1h-indol-3-yl}methyl)amino]ethyl}amino)methyl]-4h-chromen-4-one
+C1C2CC3CC1CC(C2)(C3)N	308	(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-amine
+c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C(=O)O)Cl	30A	6-benzyl-5-chloro-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
+Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC	30B	(2r,3ar,10z,11as,12ar,14ar)-n-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1h)-carboxamide
+CC[C@H]1C[N@@](CC[C@H]1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N	30E	(3r,4r)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid
+C(=C(/C(=O)O)\N)\[SeH]	30F	(2z)-2-amino-3-selanylprop-2-enoic acid
+c1ccc2c(c1)N3CC(=O)NN=C3CO2	30G	3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccnc2)[C@H](C)C(=O)NO	30H	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(pyridin-3-ylmethyl)-d-alaninamide
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N3CCCCCC3)N	30I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide
+C[C@@H]1CN(CCN1c2ccc(cn2)C#N)c3c4cc(ccc4c(nn3)Cc5ccccc5)Cl	30J	6-[(2r)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
+CCN1CCC(CC1)Nc2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]c6ccc(cc6n5)OC)/C(=O)N3	30K	(3z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1h-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2h-indol-2-one
+c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)F	30L	{5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid
+CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O	30M	n-[4-(1-oxo-1,2,3,4-tetrahydro-5h-pyrido[4,3-b]indol-5-yl)butyl]acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS(=O)O)O	30N	(3r,5s,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name)
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)[N+](=O)[O-])[C@H](C)C(=O)NO	30O	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(4-nitrobenzyl)-d-alaninamide
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)N)[C@H](C)C(=O)NO	30P	n~2~-(3-aminobenzyl)-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+CCC(=O)NCCSC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C	30Q	s-[2-(propanoylamino)ethyl] (2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl]propanethioate (non-preferred name)
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)CN)[C@H](C)C(=O)NO	30R	n~2~-[4-(aminomethyl)benzyl]-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+c1ccc(c(c1)COc2cccc3c2c(nc(n3)N)N)S(=O)(=O)O	30S	2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
+c1ccc(cc1)c2cc(n[nH]2)Nc3cc(cc(n3)NC4CCC(CC4)O)S(=O)(=O)c5ccccc5	30T	trans-4-({6-[(5-phenyl-1h-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol
+c1cc2c(c(c1)OCc3ccc(cc3)S(=O)(=O)O)c(nc(n2)N)N	30U	4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
+c1ccc(c(c1)C(=O)N)[Se]SC[C@@H](C(=O)O)N	30V	s-[(2-carbamoylphenyl)selanyl]-l-cysteine
+CC(=O)NC1=Nc2c(nc(cn2)C=O)C(=O)N1	30W	n-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide
+C[C@@H](C(=O)N(C)C)[N@@](CC(F)(F)F)c1ccc(c(c1)C(F)(F)F)C#N	30X	n~2~-[4-cyano-3-(trifluoromethyl)phenyl]-n,n-dimethyl-n~2~-(2,2,2-trifluoroethyl)-l-alaninamide
+C[C@@H](Cc1ccc(c(c1)O)O)[C@@H](C)Cc2ccc(c(c2)O)O	30Z	4-[(2r,3s)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl]benzene-1,2-diol
+[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2Cl)c3ccc(cc3)Oc4ccc(cc4)C(=O)C	310	n-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide
+Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C3)(C)C	311	(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
+COc1ccccc1c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-]	312	2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-methoxy-6-oxido-1,1'-biphenyl-3-yl)succinate
+CS(C)CC(=O)O	313	(dimethyl-lambda~4~-sulfanyl)acetic acid
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)Cc4ccccc4)O)C	314	n'-[(1s,2r)-2-[(2r,4s)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+CS(=O)(=O)c1ccc(c(c1)F)C2NC(ON2)[C@@H](CC3CC3)[C@@H](C(=O)N4CC[C@@H](C4)F)N	315	(2s,3s)-4-cyclopropyl-3-{(3r,5r)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CCN3)Cc4ccccc4)O)C	316	n'-[(1s,2s)-2-[(2s)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+CS(=O)(=O)c1ccc(c(c1)Cl)c2nc(on2)[C@@H](CC3CC3)[C@@H](C(=C4CCCC4)F)N	317	(2s,3s)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CN3)Cc4ccccc4)O)C	318	n'-[(1s,2s)-2-[(4s)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)F	319	n-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
+[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccccc2OC3CCNCC3	31A	n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1[C@H]([C@H]([C@H](O1)c2[nH]c3c(n2)c(ncn3)N)O)O)[C@H](C(=O)NCCC(=O)NCCOC(=O)c4ccccc4)O	31B	benzoyl-oxydephosphocoenzyme a
+CC(C)(C)c1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)C(=O)O	31D	4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid
+c1cc(oc1)C/N=C\S	31E	(z)-[(furan-2-ylmethyl)imino]methanethiol
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N	31F	4-(4-oxidanylidene-3h-quinazolin-2-yl)benzenesulfonamide
+c1cc(cc(c1)S(=O)(=O)O)COc2cccc3c2c(nc(n3)N)N	31G	3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
+CSCC[C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O	31H	3'-deoxy-3'-[(n-formyl-l-methionyl)amino]adenosine 5'-(dihydrogen phosphate)
+CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	31I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(propan-2-yl)phthalazin-2(1h)-yl]prop-2-en -1-one
+Cc1c(c(cc2c1OC(=O)C(=C2C)CCOCCOC)OC)O	31J	7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2h-chromen-2-one
+Cc1cc(cc(c1O)OC)c2ccc3c(c2)OCCN3C	31K	2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2h-1,4-benzoxazin-7-yl)phenol
+Cc1cc(cc(c1O)OC)c2ccc(cc2)N3CCOCC3	31L	3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol
+CSCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N	31M	3'-deoxy-3'-[(l-methionyl-l-phenylalanyl)amino]adenosine 5'-(dihydrogen phosphate)
+COc1ccc2c(n1)c(c(cn2)F)C[C@@H](C34CCC(CC3)(CO4)NCc5ccc6c(n5)NC(=O)CO6)O	31N	6-[({(1r,4s)-1-[(1s)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC	31O	methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate
+CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC	31P	methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate
+c1cc(ccc1C(=O)O)[Hg]SC[C@@H](C(=O)O)N	31Q	(4-carboxyphenyl)(l-cysteinato-kappas~3~)mercury
+c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O	31R	3-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)propanoic acid
+c1ccc(cc1)c2ccc(cc2)/C(=C\C(=O)O)/CCc3ccc(cc3)Cl	31S	(2z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid
+c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC4=NNC(=O)C(=C4)O	31T	4-hydroxy-6-[2-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)ethyl]pyridazin-3(2h)-one
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N)\N	31U	d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+Cc1cn(cn1)c2ccc(cc2OC)c3cn(nn3)CC(=O)Nc4cc(nn4c5ccccc5)C6CC6	31V	n-(3-cyclopropyl-1-phenyl-1h-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1h-imidazol-1-yl)phenyl]-1h-1,2,3-triazol-1-yl}acetamide
+c1cc(cc(c1)c2nccs2)CN(C3CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F	31W	1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
+c1ccc(cc1)c2nc(no2)Cn3c4ccnc(c4cc3C(=O)O)c5cccc6c5cccc6	31X	4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1h-pyrrolo[3,2-c]pyridine-2-carboxylic acid
+c1cc(cnc1)CNc2ccc3c(n2)c(ncn3)Nc4ccc(cc4)N5CCOCC5	31Y	n~4~-[4-(morpholin-4-yl)phenyl]-n~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O	31Z	2-(3-chlorophenoxy)-3-fluoro-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}benzoic acid
+c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc[nH]4)F	320	2-(4-fluorophenyl)-n-{[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide
+CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)C3)NS(=O)(=O)C	321	n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,4-benzothiazin-7-yl}methanesulfonamide
+CCOc1cc(c(c(c1O)Br)Br)C[C@@H]2C(=O)N(C(=S)S2)CC(=O)O	322	[(5r)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)[O-])C=O	323	2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F	324	n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
+CCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cccnc4)F	325	n-{2,4-difluoro-3-[(5-pyridin-3-yl-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide
+Cc1cc(ccc1n2c(c(c(n2)C)/N=N/c3cc(ccc3C(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	326	2-{(e)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1h-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid
+[H]/N=C/1\c2c(ccs2)OC[C@@H](N1)CCC	327	(3s,5e)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2h)-imine
+COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N	328	4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile
+C[C@H]1CN=C(c2c(ccs2)O1)N	329	(2s)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
+CCCCC#Cc1ccc(o1)C(=O)NNC(=S)NC	32A	2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-n-methylhydrazinecarbothioamide
+CC[C@H](c1ccc(c(c1OC)Oc2cccc(c2)Cl)C(=O)O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C	32B	2-(3-chlorophenoxy)-3-methoxy-4-{(1r)-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]propyl}benzoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O	32C	2-(3-chlorophenoxy)-3-fluoro-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
+c1cc(cc(c1)[C@@]2(c3cccc(c3C(=N2)N)F)c4ccnc(c4)C(F)F)c5cncnc5	32D	(1s)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1h-isoindol-3-amine
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O	32E	2-(3-chlorophenoxy)-3-fluoro-4-{(1s)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O	32F	2-[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenoxy]ethanoic acid
+c1c(nnn1CCCCn2cnc3c2ncnc3N)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5	32G	(3as,4s,6ar)-4-(5-{1-[4-(6-amino-9h-purin-9-yl)butyl]-1h-1,2,3-triazol-4-yl}pentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one
+c1cc(ccc1c2c3c(sc2Br)NC(=O)C(=C3O)C#N)Br	32H	2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2OC)OC)N3CCCCCC3)N	32I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide
+c1ccc(c(c1)c2ccc(cc2)c3c4c(sc3Cl)NC(=O)C(=C4O)C#N)O	32J	2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3OC)Oc4cccc(c4)Cl)C(=O)O	32K	2-(3-chlorophenoxy)-3-methoxy-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}benzoic acid
+CCOC(=O)C[C@@H]([C@H](CC(C)C)N)O	32L	ethyl (3s,4s)-4-amino-3-hydroxy-6-methylheptanoate
+CCCCCCCCOCCOCCOCCOCCOCCOCCO	32M	3,6,9,12,15,18-hexaoxahexacosan-1-ol
+C([C@H]1[C@@H]([C@@H]([C@H](O1)O)O)O)O	32O	beta-l-ribofuranose
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)OS(=O)(=O)Cc3ccccc3)OCC(=O)NCCCCCN	32P	3-{2-[(5-aminopentyl)amino]-2-oxoethoxy}-5-({[1-(4-fluorophenyl)ethyl]amino}carbonyl)phenyl phenylmethanesulfonate
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccc(cc2)CN)C(=O)O)O	32Q	(2s)-2-[4-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@H](Cc2ccc(cc2)CN)C(=O)O)O	32R	(2r)-2-[4-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
+c1c[se]c2c1[nH]cc2C[C@@H](C(=O)O)N	32S	(s)-2-amino-3-(4h-selenolo[3,2-b]-pyrrol-6-yl)-propionic acid
+c1csc2c1[nH]cc2C[C@@H](C(=O)O)N	32T	(s)-2-amino-3-(4h-thieno[3,2-b]-pyrrol-6-yl)-propionic acid
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)C(=[NH2+])N)N	32U	d-phenylalanyl-n-{4-[amino(iminio)methyl]benzyl}-l-prolinamide
+CCN1C(=O)c2c(c(cs2)C#C)N=C1NC3CCCC3	32V	2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3h)-one
+COCCNC(=O)c1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4	32W	n-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
+c1cc2c(c(c1)N)CC=NC2=O	32X	5-aminoisoquinolin-1(4h)-one
+c1cc2c(c(c1N)I)C=CC(=O)O2	32Y	6-amino-5-iodo-2h-chromen-2-one
+c1cc2c(c(c1)OCCCCN3CCCCC3)CCNC2=O	32Z	5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2h)-one
+COc1ccccc1c2cc3c(c4cc(ccc4n3CCCO)O)c5c2C(=O)NC5=O	330	9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione
+CCCCCCCN(CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)C(=O)Nc2ccc(cc2F)F	331	(2s)-2-(4-[2-(3-[2,4-difluorophenyl]-1-heptylureido)ethyl]phenoxy)-2-methylbutyric acid
+c1cc2c(cc1OC[C@@H]3COc4ccsc4C(=N3)N)CNCC2	332	(3r)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
+c1cc(ccc1n2ccnc2)Oc3nccc(n3)Oc4ccc5c(c4)OCO5	333	4-(1,3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]pyrimidine
+Cc1cc(c(c(c1)Br)[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N	334	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-bromo-4-methylbenzenolate
+c1ccc(cc1)C(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4	335	[4-(2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl](difluoro)methylphosphonic acid
+c1c(cc(c2c1CCc3cc(cnc3[C@@H]2C4CCN(CC4)C(=O)CC5CCN(CC5)C(=O)N)Br)Br)Cl	336	4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide
+Cc1ccc(cc1n2cc(nn2)C(=O)NCc3ccccc3)C(=O)Nc4cc(cc(c4OC)NS(=O)(=O)C)C(C)(C)C	337	n-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1h-1,2,3-triazole-4-carboxamide
+c1cc2c(cccc2O)c(c1)c3nc4ccc(cc4o3)O	338	2-(5-hydroxy-naphthalen-1-yl)-1,3-benzooxazol-6-ol
+CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)N)C(=O)c1nccs1)NC(=O)[C@H](CCCNC(=O)N)NC(=O)N[C@H](C)c2ccc(cc2)Br	339	(s)-2-(3-((r)-1-(4-bromophenyl)ethyl)ureido)-n-((s)-1-((s)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-5-ureidopentanamide
+c1ccc(cc1)CNC(=O)c2cc(c[nH]2)c3c(c[nH]n3)c4cccc(c4)Cl	33A	n-benzyl-4-[4-(3-chlorophenyl)-1h-pyrazol-3-yl]-1h-pyrrole-2-carboxamide
+c1cc(c(cc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl	33B	3,3'-(e)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}
+c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O	33C	4-[(3ar,4r,7s,7as)-1,3-dioxooctahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide
+CC(C)(C)CCO	33D	3,3-dimethylbutan-1-ol
+c1cc(c(cc1C(=O)N)[N+](=O)[O-])I	33E	4-iodo-3-nitrobenzamide
+CC[C@H](C)NC(=O)c1ccc(nn1)N2CCN([C@H](C2)C(=O)NCc3ccc(cc3)OC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC(F)(F)F	33F	n-[(2s)-butan-2-yl]-6-[(3r)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4cccc(c4)F)C#N)C5CCC5)C#N)N	33G	(4s)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
+C[C@H](C[C@@H]1C(=O)N([C@@H](CO1)C2CCCCC2)c3cc(sc3C(=O)O)C#CC(C)(C)C)O	33H	3-{(2r,5r)-5-cyclohexyl-2-[(2r)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid
+CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4)Cl)C(=O)N2)N	33I	6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1ccc(cc1)c2cc(c(s2)C(=O)O)N3[C@H](CCC3=O)C4CCCCC4	33J	3-[(2r)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid
+c1ccc(cc1)CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)CC(=O)O	33K	n-benzyl-n-(carboxymethyl)glycyl-l-histidine
+c1ccc(cc1)C[C@@H](C(=O)NCCN)NC(=O)c2ccccc2	33L	n-(2-aminoethyl)-nalpha-benzoyl-l-phenylalaninamide
+CN(c1cccc2c1cccc2)c3cc4c(nc(nc4nc3)N)N	33M	n~6~-methyl-n~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
+c1ccc(cc1)C(CCNC(=O)c2cccnc2)c3ccccc3	33N	n-(3,3-diphenylpropyl)pyridine-3-carboxamide
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	33O	3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H](C)OP(=O)(O)O)O	33P	{3-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-propyl}-phosphonic acid
+c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(c(c3)Cl)Cl)/C(=O)O)N(=O)=O	33R	(2e)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
+c1cc(cc(c1)I)C[C@@H](C(=O)O)N	33S	3-iodo-l-phenylalanine
+C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F	33T	3-chloro-4-({(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(c3ccccc3)c4ccccc4)N)\N	33U	beta-phenyl-d-phenylalanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+C1CSCN2[C@@H]1C[C@@H](N2)[C@@H]3[C@H](CN[C@@H](CS3)C(=O)O)CO	33V	(3r,6r,7s)-7-[(2r,3ar)-hexahydropyrazolo[1,5-c][1,3]thiazin-2-yl]-6-(hydroxymethyl)-1,4-thiazepane-3-carboxylic acid
+c1cc(sc1C[C@@H](C(=O)O)N)Br	33W	3-(5-bromothiophen-2-yl)-l-alanine
+C[C@H](C(=O)O)NC	33X	n-methyl-d-alanine
+CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F	33Y	1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
+[H]/N=C(/N)\Nc1cccc(c1)[C@H](C[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)O	33Z	(2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(r)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl]propanoic acid
+Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3	340	5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione
+c1c(cc(cc1F)F)CO	341	(3,5-difluorophenyl)methanol
+c1cc(ccc1n2ccnc2)O[C@H]3CCC[N@@](C3)Cc4ccc5c(c4)OCO5	342	(3s)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1h-imidazol-1-yl)phenoxy]piperidine
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)OCc3ccccc3)O	343	(2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-tyrosyl}amino)-2-methylpropyl](hydroxy)phosphoryl]oxy}acetic acid
+c1c2c(cc3c1nc[nH]3)N=C(NC2=O)N	344	6-amino-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one
+c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO	345	4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-4-methyl-tetrahydro-pyran;compound with n-hydroxy-acetamide
+[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)O[C@@H]3CCOC3)OCC)C(=O)O)/N	346	(r)-(4-carbamimidoyl-phenylamino)-[5-ethoxy-2-fluoro-3-[(r)-tetrahydro-furan-3-yloxy]-phenyl]-acetic acid
+CC#CCNc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO	347	tert-butyl 4-({[4-(but-2-yn-1-ylamino)phenyl]sulfonyl}methyl)-4-[(hydroxyamino)carbonyl]piperidine-1-carboxylate
+[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)OC)C(C)C)/N	348	4-[(1r,3as,4r,8as,8br)-1-isopropyl-2-(4-methoxybenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
+c1ccc(c(c1)CNc2c(cnc(n2)NC3=CC4=CC(=O)N=C4C=C3)C(F)(F)F)S(=O)(=O)N5CCCC5	349	5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2h-indol-2-one
+Cc1ccc(cc1C)N	34A	3,4-dimethylaniline
+[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612Cc1c(nc(nc1N)N)C	34B	2,4-diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine
+CCCOc1ccc(cc1Cl)CC(=O)O	34C	(3-chloro-4-propoxy-phenyl)-acetic acid
+c1c(cc(cc1O)O)C(=O)O	34D	3,5-dihydroxybenzoate
+C[C@H](CN1CCN(CC1)CCOC)[C@@H](C(=O)O)NC	34E	(3r)-4-[4-(2-methoxyethyl)piperazin-1-yl]-n-methyl-l-valine
+c1cc(c(cc1[C@H](CCN(C=O)O)P(=O)(O)O)Cl)Cl	34F	(1s)-1-(3,4-dichlorophenyl)-3-[formyl(hydroxy)amino]propyl}phosphonic acid
+CC[C@@H]1CN2CCc3cc(c(cc3[C@H]2C[C@H]1C[C@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC	34G	emetine
+c1cc(ccc1C[C@H](C(=O)O)O)O	34H	(2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
+c1ccc2c(c1)CCC(=O)N2CC(=O)Nc3c(c(cs3)C#N)c4[nH]ncn4	34I	n-[4-cyano-3-(1h-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2h)-yl)acetamide
+c1cc(c(cc1C[C@@H](C(=O)O)NNc2nc(cs2)c3ccc(c(c3)Cl)Cl)N(=O)=O)N	34J	(2s)-3-(4-amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinyl}propanoic acid
+c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(cc3)Br)/C(=O)O)N(=O)=O	34K	(2e)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
+c1cc2c(c3c1ncs3)/C(=C/c4cnc[nH]4)/C(=O)N2	34L	(8z)-8-(1h-imidazol-5-ylmethylidene)-6,8-dihydro-7h-[1,3]thiazolo[5,4-e]indol-7-one
+Cc1nnc(n1c2ccc(cc2)OC)SCc3nc(no3)c4ccc(cc4)OC	34M	3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
+CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c2ccc(cc2)C#N)c3ccc(cc3)F	34N	4-cyano-n-{(3s)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide
+COc1ccc(cc1F)CSc2nnc(o2)c3ccc4c(c3)OCO4	34O	2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole
+[H]/N=C(/c1csc(n1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N	34P	n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({4-[(e)-amino(imino)methyl]-1,3-thiazol-2-yl}methyl)-l-prolinamide
+c1ccc2c(c1)ncc(n2)C(=O)N3C[C@H]([C@H](C3)N)C(=O)N4CCCC4	34Q	(3r,4r)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@@H](c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N	34R	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-phenylphthalazin-2(1h)-yl]prop-2-en-1-one
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N	34S	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-phenylphthalazin-2(1h)-yl]prop-2-en-1-one
+C[C@@H]1Cc2cccc(c2NC1)S(=O)=O	34T	(3r)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline
+COCCOc1ccc2c(c1)ncn2c3ccc4cccc(c4n3)N5CCC(CC5)N	34U	1-{2-[5-(2-methoxyethoxy)-1h-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine
+C1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O	34V	beta-l-ribulofuranose
+CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F	34W	n-{2-[(1s,4r)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide
+c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccccc3F	34X	1-(2-amino-4-phenylimidazol-1-yl)-3-(2-fluorophenyl)urea
+Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	34Y	4-[(4-methylpiperazin-1-yl)methyl]-n-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1h-pyrazol-5-yl}benzamide
+c1cc(c(cc1C(=O)O)Cl)Cl	34Z	3,4-dichlorobenzoate
+c1ccc(cc1)Oc2ccccc2NC(=O)Nc3cccc(c3)c4c[nH]c5c4cc(cn5)c6ccc(cc6)CN	351	1-(3-{5-[4-(aminomethyl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea
+C[C@@H](c1ccc(cc1)F)NC2=NC(=O)[C@](S2)(C)C(C)(C)O	352	(5s)-2-{[(1s)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5h)-one
+CCOC1=C(C(=O)N(C=C1)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4Cl)N	353	n-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
+c1cc(ccc1C(N[C@@H](CCC(=O)O)C(=O)O)O)NS(c2ccc3c(c2)c(nc(n3)N)O)(O)O	354	n-[(s)-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl)(hydroxy)methyl]-l-glutamic acid
+CC1=CC=CC2=NC(=CC(=O)N12)CN3c4ccccc4C(=O)N(C3=O)CC5CCC(CC5)C(=O)NCc6ccccc6	355	trans-n-benzyl-4-({1-[(6-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl}methyl)cyclohexanecarboxamide
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)Cc4nc(c5ccccc5n4)C)C	356	8-[(3r)-3-aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1h-purine-2,6-d ione
+CCC1=C(NC(=O)C(=C1Cc2cccc(c2)C)[N@@](C)CCOC)C	357	5-ethyl-3-[(2-methoxyethyl)methylamino]-6-methyl-4-(3-methylbenzyl)pyridin-2(1h)-one
+c1cc(c(c(c1)Cl)N2c3cc(cc(c3CCC2=O)c4ccc(cc4F)F)C5CCNCC5)Cl	358	1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperidin-4-yl-3,4-dihydroquinolin-2(1h)-one
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cc(cc3)OCc4cccc(c4)C(=O)O)NS(=O)(=O)CC)\N	359	3-[[3-[(2r)-3-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1h-indol-5-yl]oxymethyl]benzoic acid
+C[C@@H]1CCc2cccc(c2)C[C@@](C(=O)OCc3cc(nc(c3)[N@](C)S(=O)(=O)C)CC1)(C)N	35A	n-[(5r,14r)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-n-methylmethanesulfonamide
+CNC(=O)N(c1cccc(c1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)C3CCCCC3	35B	4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid
+c1c(cc(c(c1O)O)Cl)Cl	35C	3,5-dichlorobenzene-1,2-diol
+CC(=O)N1CCC(CC1)c2c(nc3ccccc3n2)OC4CN(C4)c5ccc6ccccc6n5	35D	1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone
+c1ccc2c(c1)ccc(n2)N3CC(C3)Oc4c(nccn4)N5CCC(CC5)CO	35E	[1-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}pyrazin-2-yl)piperidin-4-yl]methanol
+c1cc(cc(c1)NC(=O)c2ccco2)c3c4cc(ccc4[nH]n3)c5nc[nH]n5	35F	n-{3-[5-(1h-1,2,4-triazol-3-yl)-1h-indazol-3-yl]phenyl}furan-2-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N	35G	guanosine-3',5'-monophosphate
+CN(Cc1ccc(cc1)[C@@H](CO)O)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3	35H	n-{4-[(1s)-1,2-dihydroxyethyl]benzyl}-n-methyl-4-(phenylsulfamoyl)benzamide
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N	35I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(3,3,3-trifluoropropyl)phthalazin-2(1h)-yl ]prop-2-en-1-one
+c1cc(cnc1)CNC=S	35J	n-(pyridin-3-ylmethyl)thioformamide
+c1cc2c(cc1CC[C@@H](C(=O)O)N)NC(=O)C(=O)N2	35K	(2s)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid
+c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O	35M	2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
+c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4	35N	copper(ii) tetrapyrrole 
+C[C@H](C(=O)Nc1ccc(cc1)OC)NC2=NC(=O)c3cnn(c3N2)C4CCCC4	35O	n~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl)-n-(4-methoxyphenyl)-d-alaninamide
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)COc2ccccc2)C(=O)O)C	35P	(2r,4s)-5,5-dimethyl-2-{(1r)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid
+CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cccc(c4)CN5CCOCC5	35Q	n-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
+c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5	35R	1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1h-benzimidazol-2-yl]-1h-pyrazol-4-yl}urea
+CC[C@@H](c1cccc(n1)C2CC2)N3[C@@H]([C@H](C[C@](C3=O)(C)CC(=O)O)c4cccc(c4)Cl)c5ccc(cc5)Cl	35S	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
+C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)N2CCCC2)C3CC3)c4ccc(cc4)Cl)c5cccc(c5)Cl)CC(=O)O	35T	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
+COc1cc(ccc1OCCS)CCNC[C@@H](c2ccc(c(c2)O)O)O	35V	4-[(1r)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol
+c1ccc(cc1)Cn2cc(cn2)c3c[nH]c4c3nc(cn4)c5ccncc5	35W	7-(1-benzyl-1h-pyrazol-4-yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine
+CCCn1cc(cn1)c2c[nH]c3c2nc(cn3)c4ccncc4	35X	7-(1-propyl-1h-pyrazol-4-yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine
+C([C@@H](C(=O)O)N)NC(=O)c1[nH]nnn1	35Y	3-[(1h-tetrazol-5-ylcarbonyl)amino]-l-alanine
+COc1cccc(c1)c2nccc(n2)c3cc4c([nH]3)C5(CCN(CC5)C(=O)C=C)CNC4=O	35Z	2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{h}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
+c1cncc2c1n3c(n2)C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F	361	(7r,8r)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine
+c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4	362	2-(1h-pyrazol-4-yl)-7-(pyridin-3-yl)-5h-pyrrolo[2,3-b]pyrazine
+c1c[nH]c2c1nc(cn2)c3c[nH]nc3	363	2-(1h-pyrazol-4-yl)-5h-pyrrolo[2,3-b]pyrazine
+c1ccc(cc1)c2cccc(c2)c3ccc[n+](c3)CC(O)(P(=O)(O)O)P(=O)(O)O	364	3-biphenyl-3-yl-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium
+[B-]12(c3c(cccc3OCCCO)[C@H](O1)CN)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	365	[(1s,5r,6r,7's,8r)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate
+[H]/N=C(/c1ccc2cccc(c2c1)NC(=O)c3cccc(c3)S(=O)(=O)OCCCO)\N	367	3-hydroxypropyl 3-[({7-[amino(imino)methyl]-1-naphthyl}amino)carbonyl]benzenesulfonate
+[H]/N=C(/N)\NC[C@@H](c1ccc(cc1)B2OC[C@H](O2)CO)OC(=O)c3cccnc3	368	(1r)-2-{[amino(imino)methyl]amino}-1-{4-[(4r)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl nicotinate
+Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O	369	5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol
+c1cc(cc(c1)Cl)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCC[C@@H](C(=O)O)N)O)O	36A	(s)-2-amino-4-(((2s,3s,4r,5r)-5-(6-(3-chlorobenzylamino)-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid
+c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)F	36C	3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+CCC[C@@H](C(=O)O)NC(=O)[C@@H]([C@H](Cc1cccs1)N)O	36D	n-[(2r,3s)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-l-norvaline
+c1ccc2c(c1)[nH]c(n2)C(F)(F)F	36E	2-(trifluoromethyl)-1h-benzimidazole
+Cc1ccc2c(c1)N(C(=O)O2)CCCCn3cc(nn3)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5	36F	5-methyl-3-[4-(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3h)-one
+COc1ccccc1NC(=O)N2CCCc3c2cccc3	36G	n-(2-methoxyphenyl)-3,4-dihydro-2h-quinoline-1-carboxamide
+Cc1cnc(nc1c2cnn(c2)C(C)C)Nc3ccc(c(c3)F)N4CCC(CC4)N(C)CCO	36H	2-((1-(2-fluoro-4-((4-(1-isopropyl-1h-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol
+c1ccc(cc1)c2nc3ccsc3c(n2)N4CCOCC4	36I	4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine
+C[C@H]1CCC[C@@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O	36J	(3s,7r,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one
+CCn1c2ccccc2nc1NC(=O)Nc3ccccc3OC	36K	1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea
+Cc1nc(co1)/C=C(\C)/C=C/C=C(\C)/[C@@H]([C@@H](C)[C@@H]2C[C@@H]([C@@]3([C@H](O3)/C=C/[C@H]([C@H]4C[C@@H](C/C=C/C(=O)O2)CC(=O)O4)C)C)O)OC	36L	(1r,2r,3e,5r,7r,8s,10s,13e,16r)-8-hydroxy-10-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione
+CCCOC(=O)c1ccc(cc1)O	36M	propyl 4-hydroxybenzoate
+c1c[nH]c2c1nccn2	36N	5h-pyrrolo[2,3-b]pyrazine
+c1[nH]c2c(n1)c(ncn2)NC3CCCCC3	36O	n-cyclohexyl-9h-purin-6-amine
+c1ccc2c(c1)CCN2C(=O)c3csc(n3)c4ccsc4	36P	2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
+c1ccc(cc1)C[C@@H](CO)Nc2c3c([nH]cn3)ncn2	36Q	(2s)-3-phenyl-2-(9h-purin-6-ylamino)propan-1-ol
+c1cc2c(cc1Cl)nc(o2)N	36R	5-chloro-1,3-benzoxazol-2-amine
+CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)Cl	36S	2-{4-[3-chloro-2-(2-methoxyphenyl)-1h-indol-5-yl]piperidin-1-yl}-n-methylethanamine
+c1ccc(c(c1)SC2=C(C[C@@H](CC2=O)c3c(cccc3Cl)Cl)O)Cl	36U	(5s)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one
+c1ccc(cc1)C2CC(=O)C(C(=O)C2)Sc3ccccc3[N+](=O)[O-]	36V	trans-2-[(2-nitrophenyl)sulfanyl]-5-phenylcyclohexane-1,3-dione
+CN1C2=C(CCC2)C(=N)C3=C1CCC3	36X	4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1h)-imine
+c1cc(ccc1c2c[nH]cn2)Br	36Y	4-(4-bromophenyl)-1h-imidazole
+Cc1c(c(on1)C)c2cc(cc(c2)N)C(=O)OC	36Z	methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
+Cc1c(c(n[nH]1)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5	370	4-[(2-{5-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine
+Cc1cc2c(c(c1)N3CCCS3(=O)=O)OC(=C(C2=O)O)c4ccc(c(c4)O)O	371	2-(3,4-dihydroxyphenyl)-8-(1,1-dioxidoisothiazolidin-2-yl)-3-hydroxy-6-methyl-4h-chromen-4-one
+CC(=O)Nc1ccc2c(c1)[C@H](C(=O)N2C)CC#N	372	n-[(3r)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1h-indol-5-yl]acetamide
+c1ccc2c(c1)C=C(C(=O)N2)c3cc4cc(ccc4[nH]3)CN5CCC(CC5)CN	373	3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)quinolin-2(1h)-one
+C[C@@H]1CN(C[C@H](N1C(=O)c2ccc(cc2F)OC)C)C(=O)c3ccc(cc3F)OC	374	(2-fluoranyl-4-methoxy-phenyl)-[(3~{r},5~{r})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
+c1ccc2c(c1)cccc2NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	376	n-[(naphthalen-1-ylamino)(oxo)acetyl]-beta-d-glucopyranosylamine
+C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C	377	memantine
+CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2cccs2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O	378	methyl ~{n}-[(2~{s})-3,3-dimethyl-1-[2-[(4~{r})-5-[[(2~{s})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate
+c1ccc(cc1)C[C@H](CP(=O)([C@H](CCc2cccnc2)N)O)C(=O)O	379	3-{[(r)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(s)-2-benzylpropanoic acid
+c1ccc(cc1)c2ccc(cc2)CNC(=O)[C@H]3[C@@H]4CN(C[C@@H](O4)O3)C(=O)NO	37A	(1s,5s,7r)-n~7~-(biphenyl-4-ylmethyl)-n~3~-hydroxy-6,8-dioxa-3-azabicyclo[3.2.1]octane-3,7-dicarboxamide
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O	37B	(2s)-3-[(s)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
+Cc1c(c([nH]n1)c2ccco2)C(=O)OC	37D	methyl 5-furan-2-yl-3-methyl-1h-pyrazole-4-carboxylate
+C1CCC(CC1)NC[C@H](N)P(=O)(O)O	37E	[(1r)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid
+CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cc5ccccc5nc4	37F	n-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)[nH]cc5C(=O)O	37G	6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1h-indole-3-carboxylic acid
+[H]/N=C(/N)\NC[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	37H	(5s)-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-n~6~-carbamimidoyl-l-lysine
+CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4ccnc(c4Cl)NC)N	37I	4-[6-(4-amino-4-methylpiperidin-1-yl)-1h-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-n-methylpyridin-2-amine
+c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F)OC(F)(F)F	37J	2-{[2-(trifluoromethoxy)benzoyl]amino}-n-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@H](c5cc(c(c(c5)OC)OC)OC)[C@H]6CCCC=C6	37K	(1r)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2s)-1-[(2s)-2-[(1s)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](CC=C)c4cc(c(c(c4)OC)OC)OC	37L	(3-{(1r)-3-(3,4-dimethoxyphenyl)-1-[({(2s)-1-[(2s)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)NCc3c(ccc4c3OC5=CC(=O)C=CC5=C4c6ccccc6C(=O)O)O)OC(=O)[C@@H]7CCCCN7C(=O)[C@H](c8cc(c(c(c8)OC)OC)OC)[C@H]9CCCC=C9	37M	2-(5-{[({3-[(1r)-1-[({(2s)-1-[(2s)-2-[(1s)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid
+Cc1c(c(on1)C)c2cc(cc(c2)NS(=O)(=O)c3ccccc3)C(=O)O	37N	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid
+CCC(=O)Nc1ccc(cc1)CN2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)CN(C2=O)c6cc(cc(c6)OC)OC	37O	n-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]methyl}phenyl)propanamide
+c1cc2c(cc1O)OC3=CC(=O)C(=CC3=N2)CCCCC(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@H](O4)n5cnc6c5ncnc6N)O)O	37P	5'-o-{[5-(7-hydroxy-3-oxo-3h-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine
+C=CC(=O)Nc1ccc2c(c1)n(cn2)c3cncc(n3)Nc4ccccc4	37Q	n-{1-[6-(phenylamino)pyrazin-2-yl]-1h-benzimidazol-6-yl}prop-2-enamide
+c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O	37R	5-(3,7-dihydroxy-10h-phenoxazin-2-yl)pentanamide
+Cn1cnc2c1C(=O)NC(=O)N2C	37T	theobromine
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)F)N	37U	d-phenylalanyl-n-(3-fluorobenzyl)-l-prolinamide
+c1ccc2c(c1)nc(s2)CNC(=O)c3ccc(cc3OCC(=O)O)F	37V	{2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid
+Cc1ccc(cc1C)c2c(sc(c2C(=O)N)NC(=O)CCCC(=O)O)C	37W	5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid
+CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O	37X	octyl glucose neopentyl glycol 
+C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3	37Y	n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide
+C(CCNCCCCN)CN	37Z	sym-homospermidine
+COc1ccc(cc1OC)[C@H](C(=O)NCc2ccccc2)Nc3ccc(cc3)C(=N)N	380	(2r)-2-({4-[amino(imino)methyl]phenyl}amino)-n-benzyl-2-(3,4-dimethoxyphenyl)acetamide
+C1CCC(CC1)CP(=O)(CCCN)O	381	(s)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid
+c1ccc(c(c1)Cc2nc3c(o2)ccnc3NCC([C@H]4CCCCN4)(F)F)n5cncn5	382	(r)-2-(2-(1h-1,2,4-triazol-1-yl)benzyl)-n-(2,2-difluoro-2-(piperidin-2-yl)ethyl)oxazolo[4,5-c]pyridin-4-amine
+c1cc(ccc1C[C@@H](C(=O)N[C@@H]([C@H]2[C@@H]([C@@]3(CO[C@@H]([C@@H]3O)[N@@]2O)O)O)C(=O)O)N)O	383	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (2,4,5,8-tetrahydroxy-7-oxa-2-aza-bicyclo[3.2.1]oct-3-yl)- acetic acid
+COCCN1C[C@@H]([C@H]2CCC[C@@H](C1=O)N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)OCCOC	384	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
+Cc1nc(cs1)COc2ccc(cc2)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)O)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6	385	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzyl}propyl]carbamate
+c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc5c(cc4n3)OC(O5)(F)F)OC(F)(F)F	386	n-(2,2-difluoro-5h-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide
+c1cc(cc(c1)O)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl	387	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br	388	(2-{[(4-bromo-2-fluorobenzyl)amino]carbonyl}-5-chlorophenoxy)acetic acid
+C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(c2ccccc2)c3ccccc3)N	389	l-alanyl-l-valyl-n-(2,2-diphenylethyl)-l-prolinamide
+Cc1c(c(c(c(c1CO)C)CO)C)CO	38A	(2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol
+CC1=Nc2c(c(no2)c3ccccc3OC)C(=O)N1	38B	3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5h)-one
+COc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O	38C	3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+c1cc(c(cc1C(=O)N/N=C/c2ccc(cc2Cl)Cl)O)O	38D	n'-[(e)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide
+CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1C	38E	(5z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one
+Cc1ccc(cc1C)OC[C@H](CNC2Cc3ccccc3C2)O	38F	(2s)-1-(2,3-dihydro-1h-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
+CN(C)CCN[C@@H](c1cccc(c1)c2cnc3n2nc(cc3)c4ccc(c(c4)OC)O)O	38G	4-(3-{3-[(r)-{[2-(dimethylamino)ethyl]amino}(hydroxy)methyl]phenyl}imidazo[1,2-b]pyridazin-6-yl)-2-methoxyphenol
+c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O	38H	2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1h)-yl]-5-{3-[4-(1h-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid
+[B-](CCCC[C@@](C1C[C@H]2CC[C@@H](C1)N2Cc3ccc(c(c3)Cl)Cl)(C(=O)O)N)(O)(O)O	38I	{(5r)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	38J	alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-beta-d-glucopyranose
+COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)S(=O)(=O)N	38K	3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid
+c1cc(c(c(c1)O)[N+](=O)[O-])O	38L	2-nitrobenzene-1,3-diol
+CCCC[C@@H](C(=O)N1CCC[C@@]2(C1)CCCNC2)SC3=Nc4ccccc4C(=O)N3c5cccc(c5)Cl	38M	3-(3-chlorophenyl)-2-({(1s)-1-[(6s)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3h)-one
+C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3	38N	n-(morpholin-4-ylacetyl)-l-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide
+CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)C4=C(c5c(cccc5F)NC4=O)N	38O	4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]quinolin-2(1h)-one
+CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NC4CC4	38P	4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-n-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)C(=O)N	38Q	3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid
+c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc(n[nH]3)C4CCCC4	38R	[4-({4-[(3-cyclopentyl-1h-pyrazol-5-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO	38S	1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	38T	5-methyluridine
+CC1=C(Cc2c1cccc2)C(=O)O	38U	3-methyl-1h-indene-2-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)O)N	38V	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3-[[(2r,3s,4r,5r)-5-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
+CC(C)(C)Nc1nnc(o1)c2ccc3c(c2)c(c[nH]3)c4nccc(n4)C5CC5	38W	n-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1h-indol-5-yl]-1,3,4-oxadiazol-2-amine
+CC1=C(Cc2c1cccc2)C(=O)N[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](CC5CCCCC5)C(=O)[C@H](C)CO	38X	n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-l-tryptophanamide
+B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)O[C@H](CN)c5cc(ccc5Br)OCC	38Y	3-(aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3h)-ol-modified adenosine
+c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7	38Z	(3r)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-n-[3-(pyridin-4-yl)-2h-indazol-5-yl]pyrrolidine-3-carboxamide
+Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl)Nc4ccc(cc4Cl)F	390	4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-1h-pyrrole-2-carboxamide
+Cc1cc(nc(n1)Oc2ccc(cc2)n3ccnc3)Oc4ccc5c(c4)OCO5	391	4-(1,3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]-6-methylpyrimidine
+c1ccc(c(c1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl)O	392	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea
+c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl	393	(5-chloro-2-{[(3-nitrobenzyl)amino]carbonyl}phenoxy)acetic acid
+CC1(CCC(c2c1ccc(c2)[C@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C	394	r-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid
+CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C	395	s-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid
+Cn1c2cc(c3c(c2c4c1cc(c(c4)O)C(=O)NCCN5CCCC5)C(=O)NC3=O)c6ccccc6Cl	396	4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-n-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide
+c1cc(ccc1c2cc3cc(ccc3o2)O)O	397	2-(4-hydroxy-phenyl)benzofuran-5-ol
+CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl	398	n,n-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1h-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide
+Cn1cnc2c1[n+](cnc2N)C	39A	6-amino-3,9-dimethyl-9h-purin-3-ium
+[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@H]54)Cc1c(nc(nc1N)N)C	39B	(s)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine
+C[C@H](CO)C(=O)[C@H](Cc1ccccc1)N	39C	(2s,4r)-2-amino-5-hydroxy-4-methyl-1-phenylpentan-3-one
+c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc(cc3)C(=O)N)NC(=O)C4CCC(CC4)CN	39D	4-{2-[(1s)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1h-imidazol-4-yl}benzamide
+[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@@H]54)Cc1c(nc(nc1N)N)C	39E	(r)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine
+c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)n[nH]c4N)Cl)NC(=O)C5CCC(CC5)CN	39F	trans-n-{(1s)-1-[4-(3-amino-2h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide
+CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(ccc3C)S(=O)(=O)N(C)C	39G	n-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1h-pyrazole-4-carboxamide
+CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)c5c(o4)CCCC5	39H	2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide
+c1ccc(cc1)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CC5	39I	~{n}4-(3-cyclopropyl-1~{h}-pyrazol-5-yl)-~{n}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
+CC[C@@H](C(=O)O)Cl	39J	(2s)-2-chlorobutanoic acid
+CC(C)CN(Cc1ccc(s1)c2ccc(cc2)S(=O)(=O)C)S(=O)(=O)Cc3ccccc3	39K	n-(2-methylpropyl)-n-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide
+c1ccn2c(c1)ncc2CC(F)(P(=O)(O)O)P(=O)(O)O	39L	[1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	39N	beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose
+Cc1cc2c(cc1N)N(C(=O)N2C)C	39O	5-amino-1,3,6-trimethyl-1,3-dihydro-2h-benzimidazol-2-one
+CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)Nc4ccon4	39P	4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-n-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+C[C@H](CO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3	39Q	n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-o-methyl-l-tyrosinamide
+c1ccc(cc1)c2[nH]c(nn2)c3cccc(c3)N	39R	3-(5-phenyl-4h-1,2,4-triazol-3-yl)aniline
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N	39S	n-[4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid
+CC1(Cc2c(sc(n2)N)C(=O)NC1)C	39U	2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[5,4-c]azepin-4-one
+CC1=C(Cc2c1cccc2)C(=O)N[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)[C@H](C)CO	39V	n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-l-tryptophanamide
+CC(C)c1csc(n1)c2cc(c3ccc(c(c3n2)F)OC)O[C@H]4C[C@H]5C(=O)N(CCCC/C=C\[C@@H]6C[C@]6(NC(=O)N5C4)C(=O)NS(=O)(=O)C7(CC7)C)C	39W	(2s,3as,10z,11as,12ar)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-n-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12ah-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide
+c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3[nH]c4cc(ccc4n3)F)C(=O)O	39X	3-(6-fluoro-1h-benzimidazol-2-yl)-n-(naphthalen-2-ylcarbonyl)-d-alanine
+CC[C@H](C)C/C=C/C(=O)O	39Y	(2e,5s)-5-methylhept-2-enoic acid
+CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)O	39Z	5-hydroxy-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-2-one
+C[C@H]1CCN[C@@H](C1)C(=O)O	3A0	(2s,4s)-4-methylpiperidine-2-carboxylic acid
+C[C@H](C[P@](=O)([C@H](Cc1ccccc1)NC(=O)Cc2ccccc2)O)C(=O)NC(CCCCN)C(=O)N[C@H](CO)C(=O)O	3A1	n~2~-{(2s)-3-[(r)-hydroxy{(1r)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-l-lysyl-d-serine
+CCCCC(C(=O)O)NC(=O)C1CCCN1C(=O)CC[P@](=O)([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)CN)O	3A2	1-{3-[(r)-{(1r)-1-[(glycyl-l-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-l-prolyl-d-norleucine
+c1cc-2c(cc1OCC(=O)O)C(=NO)c3c2ccc(c3)OCC(=O)O	3A3	2,2'-{[9-(hydroxyimino)-9h-fluorene-2,7-diyl]bis(oxy)}diacetic acid
+c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@H]3CN[C@@H](Cc5cnc[nH]5)C=O	3A4	(2s)-2-({[(3s,4as,8ar)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
+C/C(=N\[C@@H](CC(=O)O)C(=O)OC)/C(=O)O	3A5	(2z,4s)-3-aza-5-carboxyl-2-methyl-4(methylcarboxy)pent-2-enoyl
+Cc1cc(ccn1)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)NS(=O)(=O)C)N	3A6	3-amino-6-fluoro-2-[4-(2-methylpyridin-4-yl)phenyl]-n-(methylsulfonyl)quinoline-4-carboxamide
+c1cc(ccc1C(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O)Br	3A7	(2s)-2-({[(3s,4ar,8as)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
+c1ccc(cc1)c2c3c([nH]n2)C(=O)N[C@H]3c4ccc(cc4)O	3A8	(4s)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1h)-one
+c1cc2c(cc1C(=O)O)CCO2	3A9	2,3-dihydro-1-benzofuran-5-carboxylic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)N	3AA	3-aminopyridine-adenine dinucleotide phosphate
+c1cc(cc(c1)N)C(=O)N	3AB	3-aminobenzamide
+CCC1=C(NC(=O)C(=C1Oc2cccc(c2)C=CC#N)I)C	3AC	(2e)-3-{3-[(5-ethyl-3-iodo-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)oxy]phenyl}acrylonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N	3AD	3'-deoxyadenosine
+c1cc(ccc1C(=O)O)C(F)(F)F	3AE	4-(trifluoromethyl)benzoic acid
+CCC[C@@H](C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)N[C@H](C)CCC)N	3AF	2,5-bis{[4-(2-pentyl)diaminomethyl]phenyl}furan
+CC(=CCC[N@](C)CCO[P@](=O)([O-])OP(=O)([O-])[O-])C	3AG	2-[methyl-(4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate
+c1c(ncn1c2[nH]nc(n2)N)C[C@@H](C(=O)O)N	3AH	[histidin-1-yl-4h-[1,2,4]triazol-5-yl]-amine
+CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](CCSC)NC[C@H](Cc1ccccc1)N	3AI	n-[(2s)-2-amino-3-phenylpropyl]-d-methionyl-l-alanyl-l-isoleucine
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCC4(CC4)C#N)O)C	3AJ	1-({[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile
+c1ccc(cc1)CN2c3ccccc3C(=O)C2=O	3AK	1-benzyl-1h-indole-2,3-dione
+[C@H]1(C(=O)NC(=O)N1)NC(=O)N	3AL	1-[(4s)-2,5-dioxoimidazolidin-4-yl]urea
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N	3AM	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N)O)N	3AN	3'-deoxy 3'-amino adenosine-5'-diphosphate
+CC(=O)c1cccc(c1)N	3AO	1-(3-aminophenyl)ethanone
+c1cc(c[nH+]c1)N	3AP	3-aminopyridine
+c1cc(ccc1CC#N)O	3AQ	(4-hydroxyphenyl)acetonitrile
+CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N	3AR	n-omega-propyl-l-arginine
+COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CC(C3)(F)F)c4ccc(cc4)O)O	3AS	(3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N	3AT	3'-deoxyadenosine-5'-triphosphate
+C1=CN(C(=O)N(C1=O)CC[C@@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3AU	3-[(3s)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate)
+Cc1ccc2c(c1)C=CC(=O)O2	3AV	6-methyl-2h-chromen-2-one
+Cc1nc(nc(n1)N)N	3AW	6-methyl-1,3,5-triazine-2,4-diamine
+c1cn[nH]c1N	3AX	1h-pyrazol-5-amine
+c1c(nc(nc1N)N)N	3AY	pyrimidine-2,4,6-triamine
+c1cc(cc(c1)C(=O)O)CN	3AZ	3-(aminomethyl)benzoic acid
+c1cc(ncc1C(F)(F)F)N	3B0	5-(trifluoromethyl)pyridin-2-amine
+c1ccc(cc1)[C@H](C#N)N2CCOCC2	3B1	(2r)-morpholin-4-yl(phenyl)ethanenitrile
+Cc1cc(no1)CSCc2cc(no2)CSCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	3B2	(14r)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate
+c1cc2c(ccc(c2nc1)NC[C@H](CN)O)[N+](=O)[O-]	3B3	(2s)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol
+c1ccc(c(c1)C(=O)O)NC2CCCCC2	3B4	2-(cyclohexylamino)benzoic acid
+CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC(=O)c4cccnc4)C(=O)NCCC[NH+](C)C	3B5	aik-18/51
+C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)I)C#N)O	3B6	(2s)-n-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O	3B7	beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose
+c1cc2c(cc1F)C(=O)c3cc(c(nc3O2)N)C(=O)N	3B8	2-amino-7-fluoro-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxamide
+CC(C)(CNC(=O)c1ccc(cc1)Oc2ccccc2)c3ccc4c(nc(nc4n3)N)N	3B9	n-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide
+CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)NCCc3c[nH]cn3	3BA	7-amino-2-tert-butyl-4-{[2-(1h-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide
+C=C(CCO)Br	3BB	3-bromobut-3-en-1-ol
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)N(C)C)C	3BC	tert-butyl [(1s)-1-({(1r,2s,5s)-2-[(3s,10s)-3-(cyclopropylmethyl)-12-methyl-4,5,8,11-tetraoxo-10-phenyl-2,6,9,12-tetraazatridecan-1 -oyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}carbonyl)-2,2-dimethylpropyl]carbamate
+CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)N3CCN(CC3)c4ncccn4	3BD	7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
+c1cc(cc(c1)Br)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	3BE	3-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
+CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3nc(cn3C)NC(=O)C)C(=O)NCCC[NH+](C)C	3BF	thiazotropsin b
+Cc1cc(c(cc1Oc2cc(nc(n2)N3CCN(CC3)C(=O)C)NCc4[nH]c5ccccc5n4)OC)OC	3BG	1-(4-{4-[(1h-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone
+c1nc(c2c(n1)n(c(n2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	3BH	(2r,3r,4s,5r)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
+C[N@](Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CC[P@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	3BI	(2s)-2-{[(r)-[(3r)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid
+c1ccc2c(c1)[nH]c(n2)CNc3nc(nc(n3)N4CCOCC4)Nc5ccc(cc5Cl)Cl	3BJ	n-(1h-benzimidazol-2-ylmethyl)-n'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
+c1cc(c(cc1CNc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl)Cl	3BK	(2r,3r,4s,5r)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
+c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@H]4CCCC[C@@H]4C[C@H]3CN[C@@H](Cc5cnc[nH]5)C=O	3BL	(2s)-2-({[(3s,4ar,8as)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
+c1cc(c(cc1I)Cl)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O	3BM	2-[(2-chloro-4-iodophenyl)amino]-n-{[(2r)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide
+CN(c1cc(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNC3CC3)O)C(=O)c4ccccc4)S(=O)(=O)C	3BN	3-benzoyl-n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]benzamide
+c1ccc2c(c1)c(c[nH]2)CC#N	3BO	1h-indol-3-ylacetonitrile
+CCS(=O)(=O)N[C@H](Cc1ccc(cc1)c2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N	3BP	2-(3-biphenyl-4-yl-2-ethanesulfonylamino-propionylamino)-pentanedioic acid 5-amide 1-(4-carbamimidoyl-benzylamide)
+c1cc2cnccc2cc1NC(=O)NCCC3(CCCCC3)CN	3BQ	1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea
+CCCBr	3BR	1-bromopropane
+CC1(CC(CC(N1O)(C)C)NC(=S)Nc2ccc(cc2Cl)S(=O)(=O)N)C	3BS	3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide
+[H]/N=C(\N)/SCCc1cccc(c1)CCSC(=N)N	3BT	2-{2-[3-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea
+C([C@@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O	3BU	l-allose
+C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3)O	3BV	n-{(2s)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-phenylalaninamide
+c1cc(ccc1Oc2ccc(cc2)Cl)SCC3(CCOCC3)C(=O)NO	3BW	4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-n-hydroxytetrahydro-2h-pyran-4-carboxamide
+c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)OCC4(CCOCC4)C(=O)NO	3BX	n-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2h-pyran-4-carboxamide
+CN1CCC[C@H]1C(=O)O	3BY	1-methyl-l-proline
+c1cc(cc(c1)Cl)C(=O)O	3BZ	3-chlorobenzoate
+C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)C	3C0	n-methyl scopolamine
+CCN1CNS(=O)(=O)c2c1ccnc2	3C1	4-ethyl-3,4-dihydro-2h-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
+CCN1CNS(=O)(=O)c2c1cccn2	3C2	4-ethyl-3,4-dihydro-2h-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide
+CCCn1c(nc(n1)C2=C(NON2)N)C3=C(NON3)N	3C3	4,4'-(1-propyl-1h-1,2,4-triazole-3,5-diyl)bis(2,5-dihydro-1,2,5-oxadiazol-3-amine)
+c1cc(c(cc1CC(=O)O)Cl)O	3C4	(3-chloro-4-hydroxyphenyl)acetic acid
+CNCc1cccc(c1)c2cccnc2	3C5	n-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
+c1cc(cnc1)c2ccc(cc2)C(=O)N[C@@H](CCCCN)C(=O)N	3C6	n~2~-[4-(pyridin-3-yl)benzoyl]-l-lysinamide
+C1[C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O	3C7	(3r,5r,7as)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
+Cc1c[nH]nc1[C@H]2CCCN(C2)c3ccc4c(n3)c(ncn4)N	3C8	6-[(3s)-3-(4-methyl-1h-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
+CC(C)CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	3C9	1-{(3s)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5h-pyrrolo[2,3-b]pyrazin-2-yl)urea
+c1cc(c(cc1c2ccc(cc2Cl)Cl)C(=O)O)O	3CA	2',4'-dichloro-4-hydroxy-1,1'-biphenyl-3-carboxylic acid
+CC[C@@H](C)[C@H](C(=O)N[C@@H](CCC(=N)N)C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc2cccc(c2)C(=O)O	3CB	n-[(3-carboxybenzyl)sulfonyl]isoleucyl-n~1~-{4-[amino(imino)methyl]benzyl}-5-iminoornithinamide
+CCCC(CCC)C(=O)N[C@@H]1Cc2ccc(cc2C1)S(=O)(=O)N	3CC	n-[(2r)-5-(aminosulfonyl)-2,3-dihydro-1h-inden-2-yl]-2-propylpentanamide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)CCl	3CD	3-(chloroacetyl) pyridine adenine dinucleotide
+c1cc(c(c(c1)Cl)O)O	3CE	3-chlorobenzene-1,2-diol
+c1cc(cc(c1)C#N)C[C@@H](C(=O)O)N	3CF	3-cyano-l-phenylalanine
+c1cc(cc(c1)[Sb](=O)(O)O)C=CC(=O)O	3CG	(2z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid
+c1cc(cc(c1)Cl)O	3CH	3-chlorophenol
+CCCC1=CC(=O)NC(=S)N1	3CJ	6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@H]([C@H](O2)CO)O)O)CO)O)O)O)O	3CK	beta-d-tagatofuranosyl alpha-d-glucopyranoside
+C(CO)CCl	3CL	3-chloropropanol
+C1CCC(CC1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	3CM	3-cyclohexylpropyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CCCN	3CN	3-aminopropane
+[Co+3]	3CO	cobalt (iii) ion
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC(=O)O)O	3CP	3-carboxypropyl-coenzyme a
+CN(C)CC#Cc1ccc(c(c1)F)OCCCc2c(nc(s2)N3CCc4cccc(c4C3)C(=O)Nc5nc6ccccc6s5)C(=O)O	3CQ	2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1h)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid
+c1ccc(cc1)C/C(=N\O)/C(=O)O	3CR	(2e)-2-(hydroxyimino)-3-phenylpropanoic acid
+CC(C)(C)CC(=O)c1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)I)OCc4ccc5ccccc5n4	3CS	3-[3-(3,3-dimethylbutanoyl)-1-(4-iodobenzyl)-5-(quinolin-2-ylmethoxy)-1h-indol-2-yl]-2,2-dimethylpropanoic acid
+c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O	3CT	3-chloro-l-tyrosine
+C1[C@@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@H]2O)O)CO)O)O	3CU	casuarine
+Cc1c(nc(c(n1)N2CCC(CC2)(C)N)CO)c3cccc(c3Cl)Cl	3CW	[3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
+C1CCC(CC1)NCC(CS(=O)(=O)O)O	3CX	(2s)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
+CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@@H](C3)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc4ccccc4	3CY	(3s)-3-[({(2s)-5-[(n-acetyl-l-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid
+C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)C(C)(C)C)c3ccc(cc3)[N+](=O)[O-]	3CZ	(2r)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
+C[C@@H]([C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N)NC[C@@H](COCc2cccnc2)NC(=O)[C@@H](CCCCN)NC(=O)C)O	3D0	n-[(2s)-2-[(n~2~-acetyl-d-lysyl)amino]-3-(pyridin-3-ylmethoxy)propyl]-l-allothreonyl-d-phenylalaninamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N	3D1	(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol
+c1cc(cc(c1)c2cccnc2)CN[C@@H](CCCCN)C(=O)N	3D2	n~2~-[3-(pyridin-3-yl)benzyl]-l-lysinamide
+c1nc(c2c(n1)nc([nH]2)SCC(=O)N)N	3D3	2-[(6-amino-7h-purin-8-yl)thio]acetamide
+C[C@H]([C@@H]([C@H](N[C@H](Cc1ccccc1)C(=O)N)O)NC(=O)CNC(=O)[C@H](CCCCN)NCc2ccc(cc2)c3cccnc3)O	3D4	n~2~-[4-(pyridin-3-yl)benzyl]-l-lysyl-n-[(1r,2s,3r)-1-{[(2r)-1-amino-1-oxo-3-phenylpropan-2-yl]amino}-1,3-dihydroxybutan-2-yl]glycinamide
+c1cc(cnc1)c2ccc(cc2)CN[C@H](CCCCN)C(=O)N	3D5	n~2~-[4-(pyridin-3-yl)benzyl]-d-lysinamide
+c1cc(cnc1)c2ccc(cc2)CN[C@@H](CCCCN)C(=O)N	3D6	n~2~-[4-(pyridin-3-yl)benzyl]-l-lysinamide
+Cn1cc(cn1)C2=CNC(=O)C(=C2)N	3D7	3-amino-5-(1-methyl-1h-pyrazol-4-yl)pyridin-2(1h)-one
+c1cc(cnc1)Nc2c3cccn3ncn2	3D8	n-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
+c1ccc(cc1)c2cc3c(ncnn3c2)Nc4ccncc4	3D9	6-phenyl-n-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N	3DA	3'-deoxyadenosine-5'-monophosphate
+c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N	3DB	5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
+c1cnccc1Nc2c3cc(cn3ncn2)c4c[nH]nc4	3DC	6-(1h-pyrazol-4-yl)-n-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
+c1cnc(c2c1n(cn2)C[C@H]([C@H](C(=O)O)O)O)N	3DD	(2r,3r)-4-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxybutanoic acid
+CCOC(=O)c1c([nH+]n(c1C)c2ccccc2)C	3DE	3,5-dimethyl-1-phenyl-1h-pyrazole-4-carboxylic acid ethyl ester
+c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO)O)N=C(NC2=O)N	3DG	9-(3-deoxy-beta-d-ribofuranosyl)guanine
+CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	3DH	5'-s-ethyl-5'-thioadenosine
+c1cc(c(c(c1)O)N)C(=O)C[C@@H](C(=O)O)N	3DJ	(2s)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
+Cn1cc(cn1)c2cc3c(c[nH]c3nc2)c4cnn(c4)Cc5cc(ccc5F)F	3DK	3-[1-(2,5-difluorobenzyl)-1h-pyrazol-4-yl]-5-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
+c1cc(cc(c1)O)c2cncc(n2)c3ccc(cc3)C(=O)O	3DL	4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid
+COc1cccc(c1O)OC	3DM	2,6-dimethoxyphenol
+Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCC(CC4)N(C)C	3DN	3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2h)-one
+C1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O	3DO	3-deoxy-beta-d-glucopyranose
+CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]	3DP	3-(n,n-dimethyloctylammonio)propanesulfonate
+COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O	3DQ	(1r,2s,4s,5r)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
+C1CO[C@@H]([C@H]1O)COP(=O)(O)O	3DR	1',2'-dideoxyribofuranose-5'-phosphate
+C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O	3DS	(4s,5r)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
+CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)CO)O	3DT	3-methylthymidine
+C1=CN(C(=O)C=C1O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3DU	4-hydroxy-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-2(1h)-one
+c1cc(cc(c1)O)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N	3DV	4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid
+CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C(=O)O	3DW	3-[4-(4-methylpiperazin-1-yl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid
+CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C#N	3DX	3-[4-(4-methylpiperazin-1-yl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
+C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@H](O2)O)O)O	3DY	3,6-anhydro-beta-l-galactopyranose
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cccc(c2)CN)C(=O)O)O	3DZ	(2s)-2-[3-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
+COc1c(cccc1F)c2csc(n2)N3CCOCC3	3E0	4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
+CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O	3E1	n,n'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide
+c1ccc2c(c1)C3=NNC(=S)N=C3N2CC(=O)O	3E2	(3-thioxo-2,3-dihydro-5h-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid
+Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)N)O	3E3	(2s,3s)-3-amino-n-(2,4-dimethylphenyl)-2-hydroxy-5-methylhexanamide
+Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC5CCC(CC5)N)NS(=O)(=O)c6ccccc6Cl	3E4	n-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide
+Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)O	3E5	n-[(benzyloxy)carbonyl]-l-leucyl-n-{(2s,3s)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-l-leucinamide
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O	3E6	rebaudioside a2
+CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)ccn3S(=O)(=O)c4cccc5c4cccc5	3E7	1-(naphthalen-1-ylsulfonyl)-n-[(1s)-1-phenylpropyl]-1h-indole-5-carboxamide
+CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)CN4C(=O)C=CC(=N4)c5cccc(c5)C#N	3E8	3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile
+C[C@@H](CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O	3E9	(3s,6e)-3,7,11-trimethyldodeca-6,10-dien-1-yl trihydrogen diphosphate
+CCCc1c(ccc2c1onc2C(F)(F)F)OCCCOc3ccc4c(c3)ccn4CC(=O)O	3EA	2-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]indol-1-yl}ethanoic acid
+c1cc(cc(c1)C(=O)O)CCC(=O)O	3EB	3-(2-carboxyethyl)benzoic acid
+c1cc(oc1CSCCN)C=O	3EC	5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde
+C[C@H]1[C@H](C2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(c4Cl)Cl)CO1)N	3ED	6-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3h)-one
+c1ccc(c(c1)C(=O)CC(=O)C(=O)O)N	3EE	4-(2-aminophenyl)-2,4-dioxobutanoic acid
+c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)P(=O)(C[C@@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O	3EF	n-{(2s)-3-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-tyrosine
+C([C@@H](C(=O)O)N)C(F)(F)F	3EG	(2s)-2-amino-4,4,4-trifluorobutanoic acid
+CCN(CC)CCCOC(=O)Nc1cccc(c1)CN2C(=O)SCC(=N2)c3ccc(c(c3)OC)OC	3EH	3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2h-1,3,4-thiadiazin-3(6h)-yl]methyl}phenyl)carbamate
+c1cc(cc(c1)F)CNC(=O)c2cc(ccn2)c3nnn(n3)Cc4ccc(cc4)C(=O)O	3EJ	4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2h-tetrazol-2-yl)methyl]benzoic acid
+Cc1cc(cc(n1)C(=O)NCc2ccc(cc2)F)c3ncn(n3)CC4CCC(CC4)C(=O)O	3EK	trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1h-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid
+c1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)Oc4c(cccn4)c5ccnc(n5)NC6CCC(CC6)N	3EL	n-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide
+CCN(CC)c1ccc2c(c1)OC(=O)C=C2COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C[C@@H]([C@H](Cc4ccccc4)NC(=O)OCc5cncs5)O	3EM	n~2~-({[7-(diethylamino)-2-oxo-2h-chromen-4-yl]methoxy}carbonyl)-n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)N	3EN	n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide
+CC(C)c1csc(n1)c2cc(c3ccc(cc3n2)OC)OC[C@@H]4C[C@@H]5N4C(=O)N[C@@]6(C[C@H]6/C=C\CCCCN(C5=O)C)C(=O)NS(=O)(=O)C7(CC7)C	3EO	(4r,6s,7z,15s,17s)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-n-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide
+CCP(CC)CC	3EP	triethylphosphane
+CCCC[N@@](c1cccc(c1C)c2ccc(cc2)SC)S(=O)(=O)c3ccc(c4c3cccc4)OCC(=O)O	3EQ	[(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid
+CS(=O)(=O)N[C@@H](c1cccc(c1)Cl)C(=O)O	3ER	(2s)-(3-chlorophenyl)[(methylsulfonyl)amino]ethanoic acid
+c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)[P@](=O)(C[C@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O	3ES	[(2s)-2-({3-[hydroxyl(2-phenyl-(1r)-1-{[(benzyloxy)[(2s)-2-({3-[hydroxyl(2-phenyl-(1r)-1-carbonyl]-amino}ethyl)phosphinyl]-2-[(3-phenylisoxazol-5-yl)methyl]-1-oxo-propyl}amino)-3-(4-hydroxy-phenyl)
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@@H](COC(=O)[C@@H](CO)N)N)C(=O)O	3ET	o-[(2r)-2-amino-3-(d-seryloxy)propanoyl]-n-[(2,3-dihydroxyphenyl)carbonyl]-l-serine
+c1c(cc(cc1Cl)Cl)CC(=O)O	3EU	(3,5-dichlorophenyl)acetic acid
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@@H](C3=C)O)O)C	3EV	(1s,3s,5z,7e,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
+Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO	3EW	5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-n-(2-hydroxyethoxy)-1-methyl-1h-benzimidazole-6-carboxamide
+c1cc(c(cc1C2CC2)F)Nc3c4cnccc4oc3C(=O)NOCCO	3EX	3-[(4-cyclopropyl-2-fluorophenyl)amino]-n-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
+c1cc(c(cc1C2CC2)F)Nc3c(ccn4c3cnc4)C(=O)NOCCO	3EY	8-[(4-cyclopropyl-2-fluorophenyl)amino]-n-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide
+c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCCN5)C6=NCCCN6	3EZ	n,n'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
+c1cc(c(c(c1)F)N)C(=O)O	3F0	2-azanyl-3-fluoranyl-benzoic acid
+Cc1ccc(cc1)S(=O)(=O)N=[S@](C)c2ccc(cc2)OCc3ccccc3	3F1	n-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide
+c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCN5)C6=NCCN6	3F2	n,n'-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
+COc1cccc(c1)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5	3F3	4-[(2-{5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O	3F4	2-(4-hydroxyphenyl)-3h-quinazolin-4-one
+CNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCC(=O)N)O)O)N	3F5	5'-o-(2-amino-2-oxoethyl)-8-(methylamino)adenosine
+c1cc(ccc1c2cc3ccc(cc3[nH]2)C4=NCCCN4)c5cc6ccc(cc6[nH]5)C7=NCCCN7	3F6	2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1h-indole]
+c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O	3F7	1,1'-benzene-1,4-diylbis(1h-pyrrole-2,5-dione)
+C1=CC(=O)N(C1=O)CCOCCOCCN2C(=O)C=CC2=O	3F8	1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1h-pyrrole-2,5-dione)
+COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4	3F9	n-{[(3r)-1-(2,3-dihydro-1h-inden-2-yl)piperidin-3-yl]methyl}-n-(2-methoxyethyl)naphthalene-2-carboxamide
+c1cc(c(c(c1)F)O)O	3FA	3-fluorobenzene-1,2-diol
+c1ccc(cc1)C[C@@H](CC(=O)O)N	3FB	(3s)-3-amino-4-phenylbutanoic acid
+CCCC[C@@H](C(=O)C(=O)NN1CCOC1=O)NC(=O)O[C@H](Cc2nnc(o2)c3ccc(cc3)C(F)(F)F)C(C)(C)C	3FC	(1r)-2,2-dimethyl-1-({5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl)propyl (1s)-1-{oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetyl}pentylcarbamate
+c1cc(ccc1COC[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(c(ncn4)N)nc3NCc5ccc(c(c5)Cl)Cl)O)O)C#N	3FD	4-[[(2r,3s,4r,5r)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
+c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCOCC4)C#N	3FE	3-[4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
+c1cc2c(cc1Nc3ccc(cc3F)F)CCc4ccc(cc4C2=O)OC[C@@H](CO)O	3FF	2-[(2,4-difluorophenyl)amino]-7-{[(2r)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-one
+c1c(cc(cc1O)O)[C@@H](C(=O)O)N	3FG	(2s)-amino(3,5-dihydroxyphenyl)ethanoic acid
+C1=CN(C(=S)C(=C1)C(F)(F)F)O	3FH	1-hydroxy-3-(trifluoromethyl)pyridine-2(1h)-thione
+c1cc(cc(c1)C(=O)O)\C=N\OCCCNCC2=CC(=O)NC(=O)N2	3FI	3-{(e)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid
+CN(C)[C@H](c1cc(cc(c1)Cl)Cl)C(=O)O	3FK	(2r)-(3,5-dichlorophenyl)(dimethylamino)ethanoic acid
+c1cc(cc(c1)C(=O)O)CNCCCCNCC2=CC(=O)NC(=O)N2	3FL	3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)OC(=O)N)O)O	3FM	3-o-carbamoyl-alpha-d-mannopyranose
+CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccc(cc4F)F	3FN	6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+[H]/N=C\CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](c2cccc(c2)Cl)NS(=O)(=O)C	3FO	n-{(2s)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-l-phenylalanyl-n-[(2z)-2-iminoethyl]glycinamide
+CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3cc(ccc3F)C(F)(F)F)O	3FP	(2r)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
+CN(C)C[C@@H](COc1ccc(cc1)NC2=CC(N=CN2)(Nc3cc(ccc3F)C(F)(F)F)O)O	3FQ	(2s)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
+Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)N[C@@H](C)c5ccccc5	3FR	3'-chloro-5'-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide
+[H]/N=C\CNC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)Cc1cc(cc(c1)Cl)Cl	3FS	n-[(3,5-dichlorophenyl)acetyl]-l-threonyl-n-[(2z)-2-iminoethyl]glycinamide
+c1cc(cc(c1)OC(F)(F)F)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O	3FT	2-({[3-fluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopent-1-ene-1-carboxylic acid
+[H]/N=C\c1nccc(n1)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](c2cc(cc(c2)Cl)Cl)N(C)C	3FU	n~2~-[(2r)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-n-({2-[(z)-iminomethyl]pyrimidin-4-yl}methyl)-l-isoleucinamide
+c1ccnc(c1)c2c(c[nH]n2)NC(=O)c3c(cn(n3)C4CCNCC4)Cl	3FV	4-chloro-1-(piperidin-4-yl)-n-[3-(pyridin-2-yl)-1h-pyrazol-4-yl]-1h-pyrazole-3-carboxamide
+[H]/N=C\c1nccc(n1)CN	3FW	1-{2-[(z)-iminomethyl]pyrimidin-4-yl}methanamine
+C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O	3FX	(2r)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
+Cc1ccccc1C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)Br)S(=O)(=O)c4cn(cn4)C	3FY	n-(2-{(4-bromophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-n-(2-methylbenzyl)-1h-imidazole-4-sulfonamide
+[H]/N=C(\c1cccc(c1)C=O)/N	3FZ	3-formylbenzenecarboximidamide
+C(#N)[Pt-2](C#N)(C#N)C#N	3G0	tetracyanoplatinate(ii)
+c1ccc(cc1)C[S@](=O)c2ccccc2C(=O)O	3G1	2-[(s)-benzylsulfinyl]benzoic acid
+c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3	3G3	2-[2-(1h-tetrazol-5-yl)ethyl]-1h-isoindole-1,3(2h)-dione
+CCN(CC)C(=O)Cc1cccc(n1)NS(=O)(=O)c2cccc(c2C)Cl	3G4	2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-n,n-diethylacetamide
+c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Br)Br)O)C(=O)O	3G5	4-(6,8-dibromo-3-hydroxy-4-oxo-4h-chromen-2-yl)benzoic acid
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)O	3G6	(2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name)
+CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O	3G7	(3r)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-n-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)c3cccs3	3G8	7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2h-chromen-2-one
+CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(c3)Cl	3G9	1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone
+[H]/N=C(\N)/N1CCC[C@H](C1)C[C@@H](C=O)N	3GA	(3s)-3-[(2s)-2-amino-3-oxopropyl]piperidine-1-carboximidamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	3GB	n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->4)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
+C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N	3GC	gamma-glutamylcysteine
+CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	3GD	n-[(2s,3r,4e)-1-{[4-o-(beta-d-galactopyranosyl)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide
+CC(C)([C@H](C(=O)O)NCC(CO)CO)[S](=O)=O	3GE	(2s)-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-2-[[2-(hydroxymethyl)-3-oxidanyl-propyl]amino]-3-methyl-butanoic acid
+CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5	3GF	6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
+c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3[nH]nnn3	3GG	1-phenyl-3-[4-(1h-tetrazol-5-yl)phenyl]urea
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O)[C@@H](CCCCCCCCCCCCCCC)O	3GH	n-{(2s,3r)-1-[(3-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
+CCc1cc(on1)COc2cc(ccc2OC)C(=O)Nc3c(cncc3Cl)Cl	3GJ	n-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide
+c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4	3GK	n-[3-(2h-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1h-benzimidazole-4-carboxamide
+C([C@@H](C(=O)O)N)[C@@H](C(=O)O)O	3GL	(2s,4s)-2-amino-4-hydroxy-pentanedioic acid
+c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCN	3GM	(2s)-6-[[(1r,2s)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+C[C@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N	3GN	2-[(2s)-2-methylpyrrolidin-2-yl]-1h-benzimidazole-7-carboxamide
+c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)COCc6ccc(cc6)C#N)O)O)N	3GO	4-[[(2r,3s,4r,5r)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri le
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N	3GP	guanosine-3'-monophosphate
+c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O	3GQ	benzene-1,2,3-tricarboxylic acid
+C([C@H](C=O)O)O	3GR	d-glyceraldehyde
+COC(=O)c1c2n(c(c1C(=O)OC)c3cccc(c3)F)C[S@](=O)C2	3GS	dimethyl (2r)-5-(3-fluorophenyl)-1h-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)C)C)\C)OC)(NC(=O)O2)O	3GT	(3beta,4beta,5beta,10beta,11e,13e)-maytansine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC4CCCC4	3GU	n6-cyclopentyladenosine
+c1ccc(c(c1)N2C[C@H](CC2=O)C(=O)O)O	3GV	(3s)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)c4ccc(s4)C=O)O)O)CO)O)O	3GW	5-(5-formylthiophen-2-yl)uridine-5'(2-(acetylamino)-2-deoxy-alpha-d-galactosyl)-diphosphate
+CN1CCCC2=C1C=C(NC2=O)c3ccccc3	3GX	1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1h)-one
+CC[C@@H](C)c1ccccc1	3GY	(2r)-butan-2-ylbenzene
+CCCCCCc1ccccc1	3GZ	hexylbenzene
+CCCc1ccccc1	3H0	propylbenzene
+Cc1c(c(c(c(c1Cl)O)C\C=C(/C)\C=C\[C@]2([C@@H](CCC(=O)[C@@H]2C)C)C)O)C=O	3H1	3-chloro-4,6-dihydroxy-2-methyl-5-{(2e,4e)-3-methyl-5-[(1r,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde
+CCCCCc1ccccc1	3H2	pentylbenzene
+C[C@H]1/C=C/C=C\CC/C=C/C(=O)O[C@H]1/C(=C/[C@H](C)C(=O)C[C@@H](CC2CC(=O)NC(=O)C2)O)/C	3H3	4-{(2r,5s,6e)-2-hydroxy-5-methyl-7-[(2r,3s,4e,6z,10e)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-en-1-yl}piperidine-2,6-dione
+C/C=C\C[C@@H](C/C=C\NC(=O)[C@H](C(C)(C)C)NC(=O)/C=C\C=C/C(=C/[C@H](C)[C@@H]1CC=C(C(=O)O1)OC)/C)OC(=O)N	3H4	(1z,4s,6z)-1-[(n-{(2z,4z,6e,8s)-8-[(2s)-5-methoxy-6-oxo-3,6-dihydro-2h-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy l-l-valyl)amino]octa-1,6-dien-4-yl carbamate
+Cc1c(cn(n1)C)C(=O)Nc2[nH]c3ccccc3n2	3H5	n-(1h-benzimidazol-2-yl)-1,3-dimethyl-1h-pyrazole-4-carboxamide
+c1ccc2c(c1)[nH]c(n2)NC(=O)c3c[nH]nc3c4ccc(cc4)F	3H6	n-(1h-benzimidazol-2-yl)-3-(4-fluorophenyl)-1h-pyrazole-4-carboxamide
+c1c(cc2c(c1F)nc(s2)N)F	3H7	4,6-difluoro-1,3-benzothiazol-2-amine
+Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	3H8	3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide
+CCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O	3H9	(s)-3-hydroxyhexanoyl-coa
+c1cc(c(c(c1)O)N)C(=O)O	3HA	3-hydroxyanthranilic acid
+c1cc(cc(c1)O)C(=O)O	3HB	3-hydroxybenzoic acid
+CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	3HC	3-hydroxybutanoyl-coenzyme a
+CO[C@@H]1[C@@H](CO[C@@H]([C@H]1O)CO)O	3HD	1,5-anhydro-3-o-methyl-d-mannitol
+C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C	3HE	4-{(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione
+CCCCN(CCCC)C(=O)n1cc(c2c1cccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O	3HF	n~3~-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~,n~1~-dibutyl-1h-indole-1,3-dicarboxamide
+C(C(CC(=O)O)O)C(=O)O	3HG	3-hydroxypentanedioic acid
+CCCCN(C)C(=O)n1cc(c2c1ccc(c2)C#N)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H](CNCc4cccc(c4)OC)O	3HH	n~1~-butyl-5-cyano-n~3~-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~-methyl-1h-indole-1,3-dicarboxamide
+CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O	3HI	(3r,5r)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1h-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
+Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4	3HJ	n-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-1-yl}benzamide
+COc1cc-2c(cc1OCCCN3CCOCC3)Cc4c2[nH]nc4c5ccc(cc5)C#N	3HK	4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile
+C[C@@H](CC(=O)O)O	3HL	(3s)-3-hydroxybutanoic acid
+Cc1c(cc(cn1)C(=O)O)O	3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid
+Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccc(cc4)F	3HN	3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide
+CCCCC[C@@H](CC(=O)O)O	3HO	(3s)-3-hydroxyoctanoic acid
+c1cc(cc(c1)O)CC(=O)O	3HP	3-hydroxyphenylacetate
+Cc1ccc(cc1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4ccnc(c4)C	3HQ	3-(4-{[(4-methylphenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide
+C[C@H](CC(=O)O)O	3HR	(3r)-3-hydroxybutanoic acid
+c1cc(ccc1CNC(=O)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	3HS	5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+COc1ccc(cc1)n2cnc3c2cc(cc3)C4=NNC(=S)O4	3HT	5-[1-(4-methoxyphenyl)-1h-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3h)-thione
+c1csc(c1CN2C(=O)c3cscc3N(C2=O)C[C@@H](C(=O)O)N)C(=O)O	3HU	(s)-1-(2'-amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione
+c1cc(ccc1CN2CCc3cc(ccc3C2=S)c4ccc(o4)C(=O)O)c5cc(nn5c6ccc(c(c6)Cl)Cl)C(=O)O	3HV	5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1h)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+c1cc(ccc1CNC(=S)c2ccc(cc2)c3cc(nn3c4ccc(c(c4)Cl)Cl)C(=O)O)c5ccc(o5)C(=O)O	3HW	5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]carbamothioyl}phenyl)-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+[H]/N=C(/NCCC[C@@H](CN(CCN)O)N)\N[N+](=O)[O-]	3HX	(4s)-n-{4-amino-5-[(2-aminoethyl)(hydroxyamino]-pentyl}-n'-nitroguanidine
+c1cc(cc(c1)O)CO	3HY	3-(hydroxymethyl)phenol
+CC(=O)N(Cc1ccc(cc1)c2ccc(o2)C(=O)O)Cc3ccc(cc3)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	3HZ	5-[4-({acetyl[4-(5-carboxyfuran-2-yl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+c1c2cc(cc(c2c(cc1S(=O)(=O)O)N)O)S(=O)(=O)O	3I0	4-amino-5-hydroxynaphthalene-2,7-disulfonic acid
+CS(=O)(=O)c1cccc2c1[nH]cc2c3c(cnc(n3)N[C@H]4CCCNC4)C(F)(F)F	3I3	4-[7-(methanesulfonyl)-1h-indol-3-yl]-n-[(3s)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
+C[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br	3I6	4-((5-bromo-4-(prop-2-yn-1-ylamino)pyrimidin-2-yl)amino)benzenesulfonamide
+c1ccc(cc1)NC(=O)c2ccc(cc2OCCC[NH3+])c3c[nH]nc3	3I7	3-[2-(phenylcarbamoyl)-5-(1h-pyrazol-4-yl)phenoxy]propan-1-aminium
+c1ccc2c(c1)c(c[nH]2)CCCC(=O)O	3IB	3-indolebutyric acid
+c1c[nH]c2c1cc(c(c2)O)O	3ID	3h-indole-5,6-diol
+C[C@@H](COC)N	3IE	(2~{s})-1-methoxypropan-2-amine
+CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CC5	3IF	n-[(3s)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4h-1,2,4-triazole-3-carboxamide
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCNC(=O)C	3IG	n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl]ethyl}acetamide
+Cc1cc(no1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=CC(=O)OCc3ccccc3	3IH	n-[(5-methylisoxazol-3-yl)carbonyl]alanyl-l-valyl-n~1~-((1r,2z)-4-(benzyloxy)-4-oxo-1-{[(3r)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide
+COc1ccc(c(c1)OC)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCCc5ccc(cc5Cl)Cl	3II	n-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide
+C[C@H](CO[C@H](C)CO[C@@H](C)CO[C@@H](C)COCCOC)N	3IK	(2~{r})-1-[(2~{r})-1-[(2~{s})-1-[(2~{s})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-amine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)O	3IL	3-(indol-3-yl) lactate
+C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)c4cnc(c(n4)Cl)N5CCN(CC5)C)O)O	3IN	n-[2(s)-cyclopentyl-1(r)-hydroxy-3(r)methyl]-5-[(2(s)-tertiary-butylamino-carbonyl)-4-(n1-(2)-(n-methylpiperazinyl)-3-chloro-pyrazinyl-5-carbonyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethyl-pentanamide
+c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O	3IO	3-(1h-indol-3-yl)-2-oxopropanoic acid
+c1ccc(cc1)COc2cccnc2N	3IP	3-(benzyloxy)pyridin-2-amine
+c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Nc3nccs3	3IR	(1~{r},2~{r})-2-phenyl-~{n}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
+c1cc2c(cc1Cl)CC(=O)N2	3IS	5-chloranyl-1,3-dihydroindol-2-one
+CC(=C)C1=C(C(=O)C=CC=C1)O	3IT	2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one
+CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CCOCC5	3IU	n-[(3s)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4h-1,2,4-triazole-3-carboxamide
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	3IX	s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenethioate
+C[C@H](CO[C@H](C)CO[C@H](C)COCCOC)N	3IZ	(2~{r})-1-[(2~{r})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
+c1cc(ccc1CNC(=S)c2ccc(cc2)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	3J0	5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+Cn1cc(cn1)c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO	3J1	8-(hydroxymethyl)-2-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]quinazolin-4(3h)-one
+CC(C)C1=C2[C@H]([C@@H]3[C@H]4[C@]([C@H]([C@@H]5[C@H]([C@@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O	3J2	nagilactone c
+C1CN(CCC1OS(=O)(=O)N)S(=O)(=O)[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	3J3	(1r)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-d-galactitol
+C1CN(C[C@@H]1OS(=O)(=O)N)S(=O)(=O)[C@H]2[C@H]([C@H]([C@@H](C(O2)CO)O)O)O	3J4	(6s)-2,6-anhydro-6-{[(3r)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-d-glucitol
+Cc1cc(ncc1c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO)N5CCN([C@H](C5)C)C	3J5	2-(4-{6-[(3s)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3h)-one
+CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO	3J6	(3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
+CC(C)(CNc1c2ccncc2nc(n1)c3ccc4c(c3)cn[nH]4)N	3J7	n~1~-[2-(1h-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine
+CN1c2ccccc2N=C3C1=CC=CC3=O	3J8	5-methylphenazin-1(5h)-one
+C[C@]12CCCO[C@@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F	3J9	(4r,4a's,10a'r)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine
+Cn1cc(cn1)c2c[nH]c3c2c(ncn3)N4CCOCC4	3JA	5-(1-methyl-1h-pyrazol-4-yl)-4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidine
+Cc1nc(no1)[C@H]2CN(CCO2)c3c4c(c[nH]c4ncn3)c5cccc(c5)C#N	3JB	3-{4-[(2r)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
+Cc1c2c(nc(n1)N)C[C@@H](CC2=O)c3ccccc3	3JC	(7s)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6h)-one
+c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)[C@@H]4CCCNC4	3JD	2-{4-[(3s)-piperidin-3-yl]phenyl}-2h-indazole-7-carboxamide
+c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4	3JE	triphenyl(phenylethynyl)phosphonium
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O	3JF	n-acetyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O	3JG	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(1,3-oxazol-5-yl)benzyl]-l-prolinamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)O	3JH	n-acetyl-l-leucyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+c1ccc(cc1)CCCC(=O)NC2=C(C=C[N](=C2)O)C(=O)O	3JI	3-(4-phenylbutanamido)pyridine-4-carboxylic acid
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)C)O	3JJ	n-acetyl-3-methyl-l-valyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+Cc1c(ocn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O	3JK	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-l-prolinamide
+c1cc(c(c(c1)C(=O)O)C(=O)O)CCCC(=O)O	3JL	3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid
+c1cc(c(c(c1)C(=O)O)C(=O)O)CCC(=O)O	3JM	3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid
+c1cc(c(c(c1)C(=O)O)C(=O)O)/C=C/CC(=O)O	3JN	3-[(1e)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)C)O	3JO	n-acetyl-l-phenylalanyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CCOc4ccc(c(c4)OC)OC	3JP	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one
+COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@H](CO)O	3JQ	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1r)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
+COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@@H](CO)O	3JR	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1s)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H]4C[C@H](CN4C(=O)C)O)O	3JS	(4r)-1-acetyl-4-hydroxy-l-prolyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cncs3)O	3JT	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(1,3-thiazol-5-yl)benzyl]-l-prolinamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O	3JU	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+Cc1cc(ccc1c2cncs2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O	3JV	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-l-prolinamide
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3	3JW	baricitinib
+Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C	3JX	4'-[(2,3-dimethyl-5-{[(1s)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](C2)O[C@@H](C(=O)OC)P(=O)(O)O	3JY	[(1r)-2-methoxy-1-{[(1s,3r)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}-2-oxoethyl]phosphonic acid
+CN(c1ccccc1CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C	3JZ	n-methyl-n-{2-[({2-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide
+C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N	3K0	n-sulfamoyl-l-glutamic acid
+c1cc(ccc1c2[nH]nnn2)C3=NC=C(C(=O)N3)O	3K1	5-hydroxy-2-[4-(1h-tetrazol-5-yl)phenyl]pyrimidin-4(3h)-one
+Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C	3K2	4'-[(2,3-dimethyl-5-{[(1r)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid
+c1cc2c(cc1C(F)(F)F)nc([nH]2)[C@H]3[C@H]4[C@@H]3Oc5c4cc(cc5)Oc6ccnc7c6CCC(=O)N7	3K3	5-({(1r,1as,6br)-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]-1a,6b-dihydro-1h-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1h)-one
+C[C@H]1[C@H](N1)C(=O)O	3K4	(2s,3s)-3-methylaziridine-2-carboxylic acid
+C[C@@H]1CO[C@]2(C[C@@H]1OC(=O)/C=C/c3ccccc3)[C@]4(CO4)[C@@H]5CC[C@@H](C[C@@H]5O2)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)OC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)OC(=O)C)O	3K5	3-o-acetyl-2-o-(3-o-acetyl-6-deoxy-beta-d-glucopyranosyl)-6-deoxy-1-o-{[(2r,2's,3a'r,4''s,5''r,6's,7a's)-5''-methyl-4''-{[(2e)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-d-glucopyranose
+C[C@@H]1Cn2c(c(cn2)c3ccc(cc3)S(=O)(=O)N(C)C)CN1c4ccnc5c4cc[nH]5	3K6	n,n-dimethyl-4-[(6r)-6-methyl-5-(1h-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
+Cc1c(n2c(n1)c(cc(n2)Cl)N)c3ccc(c(c3)OC)OC	3K7	6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
+COc1ccc2c(c1)c3cc(c(cc3c4c2CN5CCCC[C@@H]5C4)OC)OC	3K8	(14ar)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9h-dibenzo[f,h]pyrido[1,2-b]isoquinoline
+COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5	3K9	1-[2-fluoro-4-(1h-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	3KA	1-(2-deoxy-5-o-phosphono-beta-l-erythro-pentofuranosyl)pyrimidine-2,4(1h,3h)-dione
+COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4cccc(c4)C(F)(F)F	3KB	5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1h)-one
+c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(=N2)c5ccc(cc5Cl)O	3KC	3-chloro-4-(4h-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol
+c1c2c(cc3c1OCO3)[C@@H]4[C@@H]([C@H](C=C5[C@H]4N(C2)CC5)O)O	3KD	(1s,2s,12bs,12cs)-2,4,5,7,12b,12c-hexahydro-1h-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol
+COc1ccc(cc1)Cn2nc(nn2)c3cccc(c3)C(=O)NCc4ccc(cc4)C(=O)O	3KE	4-{[({3-[2-(4-methoxybenzyl)-2h-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid
+c1c2c(c(c3c1OCO3)O)C(=O)N[C@@H]4C2=C[C@@H]([C@H]([C@H]4O)O)O	3KF	(2s,3r,4s,4ar)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one
+c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)C(F)(F)F	3KG	3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1h)-one
+c1cc2c(cc1c3nnc(s3)N)[nH]nn2	3KH	5-(1h-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)O	3KJ	n~5~-(n-hydroxy-n-methylcarbamimidoyl)-l-ornithine
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(C)(C)O)O	3KK	s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C	3KL	(5beta,9beta)-3-oxocholan-24-oic acid
+[H]/N=C(\c1cccc(c1)OC[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3ccc4ccccc4c3)/N	3KM	3-({(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide
+c1cncc(c1N)c2nnc(s2)N	3KN	3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCN(C3)C(=O)CC4CCCC4	3KO	(2e,5r)-5-(2-cyclohexylethyl)-5-{[(3r)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one
+C(C(CCl)Cl)Cl	3KP	1,2,3-trichloropropane
+COc1ccc(c(c1OC)OCC(=O)NCc2ccccc2)C(=O)Cc3c(cncc3Cl)Cl	3KQ	n-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide
+COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F	3KR	1-(2-methoxyethyl)-n-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)NC(=O)C	3KS	n-acetyl-l-alanyl-n-[(1s,5r)-5-amino-1,5-dicarboxypentyl]-d-glutamine
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC4CCCC4	3KT	(2e,5r)-5-(2-cyclohexylethyl)-5-{[(1s,3r)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)c4ccncc4	3KU	n-[(1r,3s)-3-{[(2e,4r)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	3KV	retinoic acid
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)Nc4ccc5ccccc5n4	3KW	(2e,5r)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1s,3r)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one
+c1ccc(cc1)C2=C(C=C(NC2=O)CC3CCCCC3)O	3KX	6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1h)-one
+CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O)C	3KY	6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1h)-one
+C[C@@H]1CN(CC[C@@H]1c2cc3c(cc2c4ccccc4F)OCC5=NNC(=O)[C@H](N35)C)C	3KZ	(1r)-9-[(3s,4s)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
+C[C@@H]1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)N(C)C5(CN(C5)C)C	3L0	(1r)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)CO)O)N	3L1	(2s,3r,5s)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol
+C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4	3L2	(4s,5r,10e,12z,16r,16as,17s,18r,19ar,23ar)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3h,18h,19ah-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione
+C(CN(CCO/C=C/P(=O)(O)O)/C=C/P(=O)(O)O)n1c2c(nc1Br)C(=O)NC(=N2)N	3L3	[(e)-2-(2-{[2-(2-amino-8-bromo-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl][(e)-2-phosphonoethenyl]amino}ethoxy)ethenyl]phosphonic acid
+c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N	3L4	[(2-{[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl][(e)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid
+c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N	3L5	(2-{[2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid
+c1nc2c(n1CCN(CCCN)CCP(=O)(O)O)N=C(NC2=O)N	3L6	(2-{[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid
+c1nc2c(n1CCN(CCO/C=C/P(=O)(O)O)CCP(=O)(O)O)N=CNC2=O	3L7	(2-{[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](2-{[(e)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid
+c1nc2c(n1CCN(CCOCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O	3L8	[(2-{[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)Oc3c(cc(cc3O)C4=C(C(=O)c5c(cc(cc5O4)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)/C=C/c8ccc(c(c8)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O	3L9	montbretin a
+CCCCCCCCCC(=O)CC(=O)O	3LA	3-oxododecanoic acid
+CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)N[C@H](C=O)[C@@H](CC=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=CC(=O)C(C=N3)O)CCCS(=O)(=O)C	3LB	(3r,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5r)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@H](C=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C	3LC	(3s,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
+c1ccc(cc1)CCC2=CC(=O)C(=NN2)O	3LD	3-hydroxy-6-(2-phenylethyl)pyridazin-4(1h)-one
+C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C	3LE	(3s,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
+COc1cc(cc(c1OC)OC)CCC(=O)O	3LF	3-(3,4,5-trimethoxyphenyl)propanoic acid
+COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5c(c4)ccn5CC(=O)O	3LG	(5-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetic acid
+CCC(=O)Nc1cc(ccc1C)N2c3c4cc(ccc4ncc3C=CC2=O)c5c[nH]nc5	3LH	n-{2-methyl-5-[2-oxo-9-(1h-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2h)-yl]phenyl}propanamide
+Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NCC(=O)NO)C(=O)NC	3LI	(4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OS(=O)(=O)O	3LJ	2-amino-2-deoxy-6-o-sulfo-alpha-d-glucopyranose
+CC[C@@]1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CS[C@H]4CCCN(C4)C(=O)[C@H](C(C)C)N)C	3LK	bc-3205
+CC1(COC1)C#Cc2cc3c(nc2)Oc4ccc(cc4[C@@]35COC(=N5)N)c6cccnc6F	3LL	(5s)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CSC)/C(=O)O)O	3LM	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-(methylsulfanyl)but-2-enoic acid
+CC(C)(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5	3LN	(4s)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine
+c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(cc(c5O3)F)C6=CCOCC6	3LO	(4s)-2'-(3,6-dihydro-2h-pyran-4-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine
+Cc1ccc2c(c1)c3c(n2C[C@H](CNC4CCCCC4)O)CCCC3	3LP	1-(cyclohexylamino)-3-(6-methyl-3,4-dihydro-1h-carbazol-9(2h)-yl)propan-2-ol
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccc4c3ccc(c4)C#N	3LQ	5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile
+C[C@@H]([C@@H](C[C@H](C(=O)O)O)O)O	3LR	3,6-dideoxy-l-arabino-hexonic acid
+c1cc(sc1c2c(cc(s2)c3ccc(s3)C(=O)O)CC(=O)O)c4c(cc(s4)c5ccc(s5)C(=O)O)CC(=O)O	3LS	3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid
+C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	3LT	(4r)-4-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid
+c1ccc(cc1)[C@H](C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O)S(=O)(=O)O	3LU	1-({(2r)-4-carboxy-2-[(r)-carboxy{[(2r)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2h-1,3-thiazin-5-yl}methyl)pyr idinium
+CCCN(CCC)Cc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O	3LV	4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(dipropylamino)methyl]benzoic acid
+c1cc(sc1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br	3LW	(3s,5s,7s)-n-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium
+CCCCCCCCCCCCC=S	3LX	tridecanethial
+CCc1c(cccn1)Oc2cc(cnc2NC(=O)NC)Sc3ccccn3	3LZ	1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea
+Cc1cccc(c1N)C(=O)O	3M0	2-azanyl-3-methyl-benzoic acid
+c1ccc(c(c1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F	3M1	(3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone
+CN1/C(=C\c2cc(c(c(c2)Br)O)Br)/C(=O)N=C1N	3M2	(5z)-2-amino-5-(3,5-dibromo-4-hydroxybenzylidene)-1-methyl-1,5-dihydro-4h-imidazol-4-one
+Cc1c(c(n[nH]1)C)CCCOc2ccccc2F	3M3	4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1h-pyrazole
+CCOc1ccccc1c2nc(no2)c3ccncc3	3M4	4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
+CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O	3M5	3-oxo-n-[(3s)-2-oxotetrahydrofuran-3-yl]decanamide
+C[C@@H]1CN(C(=O)c2cccc(c2O[C@@H]1CN(C)C(=O)Nc3ccc(cc3)C(F)(F)F)NS(=O)(=O)c4ccc(cc4)F)[C@@H](C)C(=O)O	3M6	(2s)-2-[(2s,3r)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-5(6h)-yl]propanoic acid
+CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c5cc(ccc5c(cn4)OC)Cl)C(=O)NS(C6CC6)(O)O	3M7	tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-{[cyclopropyl(dihydroxy)-lambda~4~-sulfanyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+c1c(cc(c(c1F)C#N)SCCS(=O)(=O)O)O	3M8	2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid
+c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3c(cnn3)CNC(=O)c4ccc(cc4)F	3M9	4-fluoro-n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-5-yl}methyl)benzamide
+C[n+]1cnc(c2c1[nH]cn2)N	3MA	6-amino-3-methylpurine
+COc1cccc(c1)C(=O)N	3MB	3-methoxybenzamide
+C[N+]1=C(C=CNC1=O)N	3MC	3-methylcytosine
+C[C@@H]([C@@H](C(=O)O)N)C(=O)O	3MD	2s,3s-3-methylaspartic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCN(C)C	3ME	2'-o-{2-[2-(dimethylamino)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate)
+CO[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO	3MF	3-o-methylfructose in linear form
+CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O	3MG	3-o-methyl-beta-d-glucopyranose
+CC1=CC=CN(C1=S)O	3MH	1-hydroxy-3-methylpyridine-2(1h)-thione
+c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl	3MI	2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
+CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O	3MJ	1-(3,4,5-trihydroxyphenyl)dodecan-1-one
+C([C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	3MK	beta-l-altropyranose
+CC1=CC(=O)O[C@H]1CC(=O)O	3ML	[(2s)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
+C[N+](C)(C)[C@H](CCSC)C(=O)O	3MM	(1r)-1-carboxy-n,n,n-trimethyl-3-(methylsulfanyl)propan-1-aminium
+C[C@]1(C(=O)N(C(=O)N1Cc2cccc(c2)C#N)CCCn3ccnc3)c4cccc5c4cccc5	3MN	3-({3-[3-(1h-imidazol-1-yl)propyl]-5-methyl-5-(1-naphthyl)-2,4-dioxoimidazolidin-1-yl}methyl)benzonitrile
+CN1CCOC1=O	3MO	3-methyl-1,3-oxazolidin-2-one
+Cc1cccnc1	3MP	3-methylpyridine
+c1cc(sc1)c2cc(no2)CO	3MQ	(5-thiophen-2-ylisoxazol-3-yl)methanol
+CN(C1CCCCC1)C(=O)CC[C@@H](C2CCCCC2)N3Cc4cc(ccc4N=C3N)Oc5ccccc5	3MR	(4s)-4-(2-amino-6-phenoxyquinazolin-3(4h)-yl)-n,4-dicyclohexyl-n-methylbutanamide
+CC(C)CCN1C(=O)C(=C(c2n1ccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C	3MS	n-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide
+C[n+]1ccsc1	3MT	3-methylthiazolium ion
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3MU	3-methyluridine 5'-(dihydrogen phosphate)
+CC[C@@H](C)C[C@@H](CC)C(C)C	3MV	(3r,5r)-3-ethyl-2,5-dimethylheptane
+c1cnn(c1)c2ccc(cc2)[C@H](C(=O)NO)NC(=O)c3ccc(cc3)N	3MW	4-amino-n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}benzamide
+CCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O	3MX	1-(3,4,5-trihydroxyphenyl)decan-1-one
+c1cc(c(cc1C[C@H](C(=O)O)N)Cl)O	3MY	3-chloro-d-tyrosine
+CCCCCCCCC(=O)c1ccc(c(c1O)O)O	3MZ	1-(2,3,4-trihydroxyphenyl)nonan-1-one
+CCCCCC(=O)c1cc(c(c(c1)O)O)O	3N0	1-(3,4,5-trihydroxyphenyl)hexan-1-one
+Cc1c2cc(ccc2sc1CC(=O)O)Cl	3N1	(5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid
+c1cc2c(cc1Cl)c(cs2)CC(=O)O	3N2	(5-chloro-1-benzothiophen-3-yl)acetic acid
+c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2C(=O)O	3N3	(2s)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid
+c1ccc2c(c1)ccc3c2c(cs3)CC(=O)O	3N4	naphtho[2,1-b]thiophen-1-ylacetic acid
+c1ccc(cc1)COC(=O)N2c3ccccc3C[C@@H]2C(=O)O	3N5	(2r)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid
+c1ccc2c(c1)CN(C(=O)N2)C3CCN(CC3)C(=O)N[C@H](Cc4cc(c(c(c4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)c6ccncc6	3N6	n-{(1s)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2h)-yl)piperidin-1-yl]carbonyl}-d-tyrosinamide
+Cc1cc(nc(n1)Nc2ccc3c(c2)cn[nH]3)Nc4cc([nH]n4)C5CC5	3N7	n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-n~2~-1h-indazol-5-yl-6-methylpyrimidine-2,4-diamine
+c1cc(c(cc1F)O)O	3N8	4-fluorobenzene-1,2-diol
+C1=CC(=O)[C@@](C=C1F)(O)OO	3N9	(6s)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one
+c1ccc2c(c1)c(cn2CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F	3NA	{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1h-indol-1-yl}acetic acid
+CCCCCCCC(=O)c1cc(c(c(c1)O)O)O	3NB	1-(3,4,5-trihydroxyphenyl)octan-1-one
+c1c2c(cc(c1NC(=O)C3CCC(CC3)N)Cl)C(=O)NC=C2	3NC	cis-4-amino-n-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide
+c1cc(ccc1[C@@H]2CNC[C@H]2C(=O)Nc3cc4c(cc3Cl)C(=O)N=CC4)Cl	3ND	(3s,4r)-n-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
+c1cc(cc(c1)C(F)(F)F)c2c3c([nH]n2)NC(=O)C=C3C(F)(F)F	3NE	4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
+CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O	3NF	n-acetyl-l-tyrosine
+c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O	3NG	5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
+c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(CN2)[C@H]3c4ccccc4C[C@H]3OC(N)O)Cc5ccccc5)O)NC(=O)OC6CCOC6	3NH	(3s)-tetrahydrofuran-3-yl (1r,2s)-3-[4-((1r)-2-{[(s)-amino(hydroxy)methyl]oxy}-2,3-dihydro-1h-inden-1-yl)-2-benzyl-3-oxopyrrolidin-2-yl]-1-benzyl-2-hydroxypropylcarbamate
+[Ni+3]	3NI	nickel (iii) ion
+C1=CC(=O)OC(=O)C=C1F	3NJ	4-fluorooxepine-2,7-dione
+CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC	3NK	1-(6-methoxynaphthalen-2-yl)butane-1,3-dione
+c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cnn(c4)[C@H]5CCNC5)Cl	3NL	3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-{1-[(3s)-pyrrolidin-3-yl]-1h-pyrazol-4-yl}benzamide
+Cc1c(sc(n1)C(=O)O)CCOP(=O)(O)O	3NM	4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid
+C(C[N+](=O)[O-])C(=O)O	3NP	3-nitropropanoic acid
+C[C@]12CC[C@@H](C[C@@H]1/C(=N/O)/C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O	3NQ	6-oxime-17-(3-pyridyl)-androst-16-en-3-ol
+C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C#N)O	3NR	6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol
+Cc1nc2ccccc2n1CCNC(=O)C[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)CO	3NS	(3s)-4-hydroxy-3-{[(2s)-4-{[2-(2-methyl-1h-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid
+Cc1cccc(c1)[N+](=O)[O-]	3NT	3-nitrotoluene
+CC(C)c1c(c[nH]n1)c2ccnc(n2)NC3CCN(CC3)C	3NU	4-[3-(1-methylethyl)-1h-pyrazol-4-yl]-n-(1-methylpiperidin-4-yl)pyrimidin-2-amine
+CC(C)c1c(c([nH]n1)Cl)c2ccnc(n2)Nc3ccc(cn3)N4CCNCC4	3NV	4-[5-chloro-3-(1-methylethyl)-1h-pyrazol-4-yl]-n-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine
+CCNC(=O)NCc1ccccc1c2cc(nc(n2)NCCN(C)C)c3cnc(s3)NC(C)C	3NW	1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea
+C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C(=O)N)O	3NX	3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide
+c1cc2c(cc1[N+](=O)[O-])nn[nH]2	3NY	5-nitro-1h-benzotriazole
+COc1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N	3NZ	3'-deoxy-3'-[(o-methyl-l-tyrosyl)amino]adenosine
+c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)Cl)N	3O0	{4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone
+CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(=O)(=O)N	3O1	tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate
+COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c2ccc(cc2)OCCCn3nc(nn3)c4ccc(cc4)OC(F)(F)F	3O2	n-hydroxy-1-(2-methoxyethyl)-4-{[4-(3-{5-[4-(trifluoromethoxy)phenyl]-2h-tetrazol-2-yl}propoxy)phenyl]sulfonyl}piperidine-4-carboxamide
+C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N	3O3	n-[(3s)-3-amino-3-carboxypropyl]-l-glutamic acid
+CC(=O)Nc1ccc(cc1)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4	3O4	n-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide
+c1cc(ccc1OCCCCN)S(=O)(=O)N	3O5	4-(4-sulfamoyl-phenoxy)-butylammonium
+Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)F)NC(=O)Nc3ccc(cc3)F	3O6	1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]urea
+c1cc(c2c(c1O)C(=O)c3c(ccc(c3C2=O)O)O)O	3O7	1,4,5,8-tetrahydroxyanthracene-9,10-dione
+c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO	3O8	1-amino-5,8-dihydroxy-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione
+c1cc(c2c(c1NCCOCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCOCCO	3OA	1,4-dihydroxy-5,8-bis{[2-(2-hydroxyethoxy)ethyl]amino}anthracene-9,10-dione
+CN(C)C1=C(C=C(NC1=O)CC(=O)N2CCc3ccccc3C2)Oc4cc(cc(c4)Cl)C#N	3OB	3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1h)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile
+C1C[C@H](CC(=O)C1)C(=O)O	3OC	(1r)-3-oxocyclohexanecarboxylic acid
+CC(=O)O[C@@H]1[C@@H](O[C@@H]([C@@H]1O)O)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	3OD	(2s,3s,4r,5s)-2-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4,5-dihydroxytetrahydrofuran-3-yl acetate
+Cc1ccsc1CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc4ccccc4	3OE	4-(benzyloxy)-n-[(2s,3r)-3-hydroxy-1-{[(2s)-1-{[(3-methylthiophen-2-yl)methyl]amino}-1-oxo-4-phenylbutan-2-yl]amino}-1-oxobutan-2-yl]benzamide
+[OH2][Fe+3][OH2]	3OF	hydrated fe (iii) ion, 2 waters coordinated
+CCCCCCCCCC[C@@H]([C@H]1CCCC(=O)O1)OC(=O)C	3OG	(1s)-1-[(2r)-6-oxotetrahydro-2h-pyran-2-yl]undecyl acetate
+C(CO)C(=O)O	3OH	3-hydroxy-propanoic acid
+B1(c2ccc(cc2CO1)Oc3ccc(c(c3)C#N)C#N)O	3OJ	4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile
+c1cc(c2c(c1NCCN)C(=O)c3c(ccc(c3C2=O)O)O)NCCN	3OK	1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthracene-9,10-dione
+CCCCC[C@H](C=C)O	3OL	(3r)-oct-1-en-3-ol
+CCCCC[C@@H](C=C)O	3OM	(3s)-1-octen-3-ol
+CC1=C(C(C[C@@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C/C=C/C=C(/C)\C=C\C=C(/C)\CO)\C)\C	3ON	(3r)-3-hydroxy-8'-apocarotenol
+CC(C)(C)NCCCNC(=O)c1cccc(c1)Br	3OO	3-bromo-n-[3-(tert-butylamino)propyl]benzamide
+c1cc(cnc1)Oc2cccnc2	3OP	3,3'-oxydipyridine
+C[C@](c1ccc(cc1)S(=O)(=O)c2ccc(cc2CCF)C#N)(C(F)(F)F)O	3OQ	3-(2-fluoroethyl)-4-({4-[(2s)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile
+c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)CN3C(=O)CCCO3)C(=O)NOCCO	3OR	3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide
+C#Cc1ccc(c(c1)F)Nc2c(cc(c(c2F)F)C=NOCCO)C(=O)NOCCO	3OS	2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide
+COC1=CC(=CC=CC1=O)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5	3OT	2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1h-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5CCc6cc(ccc6C5=O)N(C)C	3OU	6-(dimethylamino)-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-3,4-dihydroisoquinolin-1(2h)-one
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)N(C)C	3OV	6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2h)-one
+CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C	3OW	(2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4s,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide
+CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C	3OX	(2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4r,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide
+CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5ccn4)Br	3OY	n-propanoyl-d-alanyl-(4r)-4-[(7-bromoisoquinolin-1-yl)oxy]-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-l-prolinamide
+Cc1cc(ccc1OCC(=O)O)C[N@@]2Cc3ccccc3[C@H]2C(=O)Nc4ccc(cc4Cl)Cl	3OZ	[4-({(1s)-1-[(2,4-dichlorophenyl)carbamoyl]-1,3-dihydro-2h-isoindol-2-yl}methyl)-2-methylphenoxy]acetic acid
+CC(C)(C#N)c1cc2c(c(c1)F)C(=O)N(CC2)c3cccc(c3CO)C4=CN(C(=O)C(=C4)Nc5ccc(cn5)N6CCN(CC6)C)C	3P0	2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile
+c1ccc2c(c1)ccc(n2)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N	3P1	8-[(quinolin-2-ylmethyl)amino]adenosine
+Cc1c(c(on1)C)c2ccc(cc2)c3c(n4ccncc4n3)NC(C)(C)C	3P2	n-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)O	3P3	n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide
+CCc1c2c([nH][n+]1C3CN(C3)CC)C(=O)NC(=N2)c4cc(cnc4OCCC=C)C(=C)O	3P4	5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyvinyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-1,2,6,7a-tetrahydro-7h-pyrazolo[4,3-d]pyrimidin-7-one
+c1cc(cc(c1)C2CC2)CN[C@H]3CS(=O)(=O)C[C@H]([C@@H]3O)Cc4ccc(c(c4)Br)O	3P5	(3s,4s,5r)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+C[C@@]12Cc3c(c(n[nH]3)C(=O)Nc4cnn(c4)[C@H](c5ccccc5)[C@H]6CCCCS6(=O)=O)C[C@@H]1C2(F)F	3P6	(4as,5ar)-n-{1-[(r)-[(2r)-1,1-dioxidotetrahydro-2h-thiopyran-2-yl](phenyl)methyl]-1h-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide
+CO[C@@](C=O)([C@@H]1N=C(C(=C)CO1)C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O	3P7	(2r)-2-[(1r)-1-{[(2r)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3 -oxazine-4-carboxylic acid
+C[NH3+]	3P8	methylammonium ion
+C[C@@H](CO)OC[C@H](C)OC[C@@H](C)O	3P9	(2s)-2-{[(2s)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
+C1CCC(C1)CCC(=O)O	3PA	3-cyclopentyl-propionic acid
+C[C@H](CC(=O)O)OP(=O)(O)O	3PB	(3r)-3-(phosphonooxy)butanoic acid
+CCCCCC(=O)OC[C@H](CCP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC	3PC	(3s)-3,4-di-n-hexanoyloxybutyl-1-phosphocholine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N=C(NC2=O)N	3PD	2-amino-9-(2-deoxy-3-o-phosphonopentofuranosyl)-1,9-dihydro-6h-purin-6-one
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	3PE	1,2-distearoyl-sn-glycerophosphoethanolamine
+CN1Cc2ccccc2NC1=O	3PF	3-methyl-3,4-dihydroquinazolin-2(1h)-one
+C([C@H](C(=O)O)O)OP(=O)(O)O	3PG	3-phosphoglyceric acid
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC	3PH	1,2-diacyl-glycerol-3-sn-phosphate
+CCC[C@H](O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC	3PI	(1s)-2-(1-hydroxybutoxy)-1-{[(hydroxy{[(2r,3s,5r,6s)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}ethyl butyrate
+C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(CCC(=O)N)c4ccccc4)(C(F)(F)F)O	3PJ	n-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
+CCCCCC(=O)O[C@@H](C)COC(=O)CCCC	3PK	(2s)-1-(pentanoyloxy)propan-2-yl hexanoate
+c1ccc(cc1)CCC=O	3PL	3-phenylpropanal
+CC(C)(C)OC[C@H](C(=O)O)N	3PM	o-tert-butyl-d-serine
+OP(=O)(O)OP(=O)(O)OP(=O)(O)O	3PO	triphosphate
+C(CP(=O)(O)O)C(=O)O	3PP	3-phosphonopropanoic acid
+C[C@]1(C(=O)NC(=O)N1)CNC(=O)COc2ccc(cc2)Cl	3PQ	2-(4-chlorophenoxy)-n-{[(4r)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide
+Cc1nc2c(cccc2C(=O)Nc3ccc(nc3)OC)c(n1)N	3PS	4-amino-n-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide
+CCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC	3PT	(2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate
+c1cc2c(cc1Cl)cc(o2)C(=O)NC[C@@]3(C(=O)NC(=O)N3)c4nccs4	3PU	5-chloro-n-{[(4r)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide
+Cn1ccnc1[C@]2(C(=O)NC(=O)N2)CNC(=O)c3cc4cc(ccc4o3)Cl	3PW	5-chloro-n-{[(4s)-4-(1-methyl-1h-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide
+CC(C)O[C@H]1CCN[C@@H]1C(=O)O	3PX	(3s)-3-(propan-2-yloxy)-l-proline
+C(C(=O)C(=O)O)O	3PY	3-hydroxypyruvic acid
+Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccccc5	3PZ	(3r)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile
+CCNc1cc(nc(n1)N)c2ccc3c(c2)n[nH]c3N	3Q0	6-(3-amino-2h-indazol-6-yl)-n~4~-ethylpyrimidine-2,4-diamine
+c1cc2c(cc1c3cc(nc(n3)N)N4CCOCC4)n[nH]c2N	3Q1	6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2h-indazol-3-amine
+C[C@@H]1COCC[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N	3Q2	6-{2-amino-6-[(3r)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2h-indazol-3-amine
+c1ccc(cc1)NC(=O)[C@@H]2C[N@@](CCO2)c3cc(nc(n3)N)c4ccc5c(c4)n[nH]c5N	3Q3	(2s)-4-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-n-phenylmorpholine-2-carboxamide
+C[C@@H]1CC[C@@H](C[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)C(=O)Nc5ccccc5	3Q4	(3s,6r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-6-methyl-n-phenylpiperidine-3-carboxamide
+C[C@H]1CC[C@H](C[N@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C	3Q5	tert-butyl {(3r,6s)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate
+C[C@@H]1C[C@H](C[N@](C1)c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C	3Q6	tert-butyl {(3r,5r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate
+C[As+](C)(C)CC(=O)[O-]	3Q7	(trimethylarsonio)acetate
+CCC1=C(C(=NC1=O)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC\4=NC(=O)[C@H](/C4=C\C)C)C)CCC(=O)O)CCC(=O)O)C)C	3Q8	3-[2-[[5-[[(3e,4s)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CCSCCOCCO	3QA	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol
+CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O	3QB	lincomycin
+Cc1ccc2c(c1C)CN(C[C@@H]2c3cccc(c3)O)C(=O)N(C)C	3QC	(4r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide
+B(CC)(O)O	3QD	ethylboronic acid
+c1nc2c(n1C[C@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N	3QE	{[(2r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
+c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CC=O)CCP(=O)(O)O)N=C(NC2=O)N	3QF	[2-([2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid
+c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O)NC=NC2=O	3QG	[2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9h-purin-9-yl)ethyl]amino)ethyl]phosphonic acid
+Cc1ccc(cc1)[C@@H](C)Nc2c3cc(ccc3ncc2C(=O)N)C#N	3QH	6-cyano-4-[[(1r)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide
+Cc1ccnc(c1)N2C(=O)c3c(c(sc3N=C2S)C)C	3QI	5,6-dimethyl-3-(4-methyl-2-pyridinyl)-2-thioxo-2,3-dihydrothieno[2,3- d]pyrimidin-4(1h)-one
+[B-](CCCCCC)(O)(O)O	3QJ	hexyl(trihydroxy)borate(1-)
+[B-](CCCCCCCC)(O)(O)O	3QK	trihydroxy(octyl)borate(1-)
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O	3QL	n-[(1r,2s,3r,4r,5r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide
+C[C@H](Cc1ccccc1)N=O	3QM	[(2r)-2-nitrosopropyl]benzene
+Cc1ccc(c(c1O)/C=N/CCCC[C@@H](C(=O)O)N)COP(=O)(O)O	3QN	(e)-n~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-l-lysine
+c1ccc(cc1)Cc2ccncc2	3QO	4-benzylpyridine
+Cc1ccc(c(c1O)/C=N/[C@@H](CC(=O)O)C(=O)O)COP(=O)(O)O	3QP	(e)-n-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-l-aspartic acid
+CC(C)CN(Cc1ccc(cc1)F)S(=O)(=O)c2ccc(nc2)NC3CCN(CC3)S(=O)(=O)C	3QQ	n-(4-fluorobenzyl)-n-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide
+c1cc2c(cc1n3cc(nn3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)S(=O)(=O)NC2=O	3QR	[1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1h-1,2,3-triazol-4-yl]methyl alpha-l-idopyranoside
+COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3	3QS	1-cyclopentyl-n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1h-pyrrolo[3,2-c]pyridin-6-amine
+Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5	3QT	6-{[6-(1-methyl-1h-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline
+c1cc(ccc1Cc2ccncc2)[N+](=O)[O-]	3QU	4-(4-nitrobenzyl)pyridine
+c1cc2c(cc1O)OC(=O)C(=C2)C#N	3QV	7-hydroxy-2-oxo-2h-chromene-3-carbonitrile
+CC(C)n1c2cc(ncc2cc1c3c[nH]nc3)Nc4ccnc(n4)N5CCC(CC5)OC	3QW	n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
+C[C@@]1(CCC[C@H]1Nc2c3cccn3ncc2C(=O)N)F	3QX	4-{[(1r,2s)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide
+COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3	3QY	n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
+CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O	3QZ	(9beta)-17-hydroxypregn-4-ene-3,20-dione
+COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)[nH]c(n4)c5c[nH]nc5	3R0	n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1h-pyrazol-4-yl)-3h-imidazo[4,5-c]pyridin-6-amine
+Cc1cc(nc(n1)N[C@@H](C)CO)Nc2cc(ccn2)NC(=O)c3c(cccc3Cl)Cl	3R1	2,6-dichloro-n-{2-[(2-{[(2s)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide
+C[C@H]1C[C@@H](C[C@H]([C@@H]1O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O	3R2	2'-deoxy-5'-o-[(r)-{[(r)-{[(1s,3r,4r,5s)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(NP(=O)(O)O)O)O)O)OP(=O)(O)O	3R3	[[[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
+c1cc2c(cc1F)sc(c2Cl)C(=O)O	3R4	3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
+COc1ccc(c(c1)C=O)OCc2cccnc2	3R5	5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
+CSc1ccc(c(c1)C(=O)O)O	3R6	2-hydroxy-5-(methylsulfanyl)benzoic acid
+C=Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2)C(=O)O	3R7	4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid
+C1[C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O	3R9	(3s,5s,7ar)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
+c1ccc(cc1)NC2=NC(=O)C(=N2)Cc3ccc4c(c3)OCO4	3RA	5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4h-imidazol-4-one
+C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCCc2c1cccc2	3RB	(2e,4e,6z,8e)-3,7-dimethyl-8-(6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylidene)octa-2,4,6-trienoic acid
+c1ccc(cc1)Cn2cc(nn2)c3c[nH]c4c3cccn4	3RC	3-(1-benzyl-1h-1,2,3-triazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
+Cc1c(c(c(c(n1)/N=N/c2ccc(cc2)C(=O)O)COP(=O)(O)O)C=O)O	3RD	4-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid
+Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc[nH]n3)C4CCC(CC4)OC	3RE	2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1h-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8h)-one
+c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)N)Nc4cc([nH]n4)C5CC5	3RF	n~2~-(4-aminophenyl)-n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)quinazoline-2,4-diamine
+c1ccc(c(c1)C(=O)O)NCC(=O)O	3RG	2-[(carboxymethyl)amino]benzoic acid
+c1ccc(cc1)[C@@H]2Cc3cnc(nc3-c4c2cccc4)N	3RH	(6s)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
+C1[C@@H]([C@H]([C@@H]([C@H](CN1CCO)O)O)O)O	3RI	(3s,4r,5r,6s)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol
+c1ccc2c(c1)c(nc(n2)Nc3ccc4c(c3)[nH]cn4)Nc5cc([nH]n5)C6CCC6	3RJ	n~2~-(1h-benzimidazol-6-yl)-n~4~-(5-cyclobutyl-1h-pyrazol-3-yl)quinazoline-2,4-diamine
+C1[C@@H]([C@H]([C@@H]([C@H](CN1)O)O)O)O	3RK	(3s,4r,5r,6s)-azepane-3,4,5,6-tetrol
+COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O	3RL	pterostilbene
+c1cc(ccc1OCCN2CCN(CC2)c3[nH]c(nn3)N)Br	3RM	5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4h-1,2,4-triazol-3-amine
+C1CC(=O)C(=C1)CO	3RN	2-(hydroxymethyl)cyclopent-2-en-1-one
+c1cc(cc(c1)Cl)CCC2=C(NC(=O)NC2=O)C(=O)O	3RO	5-[2-(3-chlorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1cc(nc(n1)N)c2cc(c(cc2Cl)Cl)OC	3RP	4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine
+Cc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)Cl)OC	3RQ	4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1c(c2c(nc(nc2[nH]1)C)c3cc(c(cc3Cl)Cl)OC)C#N	3RR	4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)N[C@@H]4CCOC(C4)(C)C	3RS	(2r)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-[(4r)-2,2-dimethyltetrahydro-2h-pyran-4-yl]-2-methylpropanamide
+c1cc(n2c(c1)nc(n2)Nc3ccc4c(c3)[nH]nc4NC5CCOCC5)CC6CCOCC6	3RT	n~3~-(tetrahydro-2h-pyran-4-yl)-n~6~-[5-(tetrahydro-2h-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1h-indazole-3,6-diamine
+c1ccc2c(c1)cc(c(n2)N)CCC(=O)NCC3CCCCC3	3RU	3-(2-aminoquinolin-3-yl)-n-(cyclohexylmethyl)propanamide
+c1ccc2c(c1)cccc2/C=C\3/C(=O)N=C(S3)Nc4ccc(cc4C(=O)O)F	3RV	5-fluoro-2-{[(5z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid
+CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)NCCc4cccnc4	3RW	[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone
+CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C	3RX	n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-n'-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine
+c1ccc2c(c1)cccc2CC3=SC(=NC3=O)Nc4ccccc4C(=O)O	3RY	2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4h-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid
+Cc1nc2c(cccc2C(=O)Nc3cc[nH]n3)c(n1)N	3RZ	4-amino-2-methyl-n-(1h-pyrazol-3-yl)quinazoline-8-carboxamide
+CO/N=C(/c1ccco1)\C(=O)N[C@@H]([C@@H]2N=C([C@H](CS2)COC(=O)N)C(=O)O)C(=O)O	3S0	(2r,5s)-5-[(carbamoyloxy)methyl]-2-[(r)-carboxy{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1ccc(c(c1)CO)c2ccc3c(c2)C=CNC3=O	3S1	6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2h)-one
+CNCCCCNC(=O)N1CC[C@H]([C@H]1C=O)NS(=O)(=O)O	3S2	[(2s,3r)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid
+C[C@@H]1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)[NH3+]	3S3	(1r)-2-({(r)-carboxy[(2r,5s)-4-carboxy-5-methyl-5,6-dihydro-2h-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium
+C[C@@](CCO)(CC(=O)O)OP(=O)(O)O	3S4	(3r)-5-hydroxy-3-methyl-3-(phosphonooxy)pentanoic acid
+[H]/N=C(/N)\NCCS(=O)(=O)O	3S5	taurocyamine
+C=CCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O	3S6	prop-2-en-1-yl beta-d-galactofuranoside
+c1ccc(cc1)COC(=O)NCC#N	3S9	benzyl (cyanomethyl)carbamate
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O)CO	3SA	acarbose derived trisaccharide
+Cc1cc(cc(c1/C=N/NC(=O)[C@H](c2ccccc2)N)O)O	3SB	(2s)-2-amino-n'-[(1e)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide
+c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)c(cn3)SC#N)NCc4ccncc4	3SC	5-(2,3-dichlorophenyl)-n-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine
+Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c3cc(on3)C	3SD	n~4~-(2,2-dimethylpropyl)-n~1~-{(2s)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-n~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-l-aspartamide
+c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F	3SE	4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one
+c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCCC(F)(F)F	3SF	5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one
+COC(=O)c1ccc(c(c1)NC(=O)c2cccc(c2)c3cc(ccc3CN)C(=O)Nc4ccncc4F)F	3SG	methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate
+CCOC(=O)c1c(nc(s1)Nc2ccc(c(c2)Cl)C)c3ccccc3	3SH	ethyl 2-[(3-chloro-4-methylphenyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
+Cn1cc(c(n1)COc2ccc(cc2)c3ccc4ccccc4n3)C5=CN(C(=O)C=C5)C	3SJ	1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1h-pyrazol-4-yl)pyridin-2(1h)-one
+Cc1ccccc1C(=O)O	3SK	2-methylbenzoic acid
+C([C@@H](C(=O)O)O)S(=O)(=O)O	3SL	(2r)-3-sulfolactic acid
+CNc1c2c(c3cc([nH]c3n1)c4cccc(n4)CNC(=O)COC)n(cn2)C	3SM	2-methoxy-n-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide
+CC(=O)N1CCN(CC1)c2ccc(c(c2)F)CN(C3CCC3)S(=O)(=O)c4ccccc4	3SN	n-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-n-cyclobutylbenzenesulfonamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)Cc2c[nH]c3c2cccc3)O	3SO	{5-hydroxy-4-[(1e)-4-(1h-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate
+[H]/N=C(/c1ccc(s1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N	3SP	n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({5-[(e)-amino(imino)methyl]thien-2-yl}methyl)-l-prolinamide
+c1cc(ccc1c2c[nH]cn2)F	3SQ	4-(4-fluorophenyl)-1h-imidazole
+CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)c4ccco4	3SR	8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1h-purine-2,6-dione
+C(CSS)C(=O)O	3SS	3-disulfanylpropanoic acid
+CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C(=O)N	3ST	1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl]methyl}piperidine-4-carboxamide
+c1cc2c(cc1Br)[nH]cc2/C=C(/C(=O)O)\S	3SU	(2z)-3-(6-bromo-1h-indol-3-yl)-2-sulfanylprop-2-enoic acid
+CCC1=C(/C(=C/C(C)CCCC(C)CC(=O)O)/CCC1)CCC(C)C	3SV	(3s,7s,8e)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid
+CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C2CC2	3SW	(2e,4e,6z,8e)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid
+CC(C)CN(Cc1ccc(cc1)N2CCN(CC2)C(=O)C)S(=O)(=O)Cc3ccccc3	3SX	n-[4-(4-acetylpiperazin-1-yl)benzyl]-n-(2-methylpropyl)-1-phenylmethanesulfonamide
+C(C(CO)(CO)CO)O	3SY	2,2-bis(hydroxymethyl)propane-1,3-diol
+c1cc(cc(c1)S(=O)(=O)[N@]2CCC[N@](CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)N	3SZ	3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline
+Cc1ccc(cc1)CN2C(=O)/C(=C/c3cc(ccc3OC)Br)/SC2=O	3T0	(5z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione
+COc1cc(cc(c1O)Cl)C2C3=C(CC(CC3=O)c4ccccc4)Nc5ccccc5N2	3T1	(3s,11s)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
+CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C(C)C	3T2	(2e,4e,6z,8e)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid
+c1cc2c(cc1O)c3c4n2[Ru]56([N]7=C4C(=CC(=C7)F)C8=C3C(=O)NC8=O)([S]9CC[S]5CC[S]6CC9)[N]CS	3T3	[(amino-kappan)methanethiolato](3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h,12h)-dionato-kappa~2~n,n')(1,4,7-trithionane-kappa~3~s~1~,s~4~,s~7~)ruthenium
+c1cc(c(cc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)[N+](=O)[O-])C#N	3T4	{5-chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C	3T5	(11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate
+c1ccc(cc1)n2cc(nn2)CN(Cc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)c5nnc(s5)S(=O)(=O)N	3T7	2-({[1-(beta-d-glucopyranosyl)-1h-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole
+CNC(=O)c1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccc(cc4Cl)C(=O)N5CCN(CC5)C	3T8	n~2~-{2-chloro-4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-n~2~,n~8~-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide
+COc1cc(ccc1O)c2ccc3c([nH]nc3n2)c4ccccc4	3T9	2-methoxy-4-(3-phenyl-2h-pyrazolo[3,4-b]pyridin-6-yl)phenol
+Cc1c(cc(cn1)CCCN(C)C)Nc2ncc3c(n2)-c4ccc(cc4NC(=S)C3)Cl	3TA	9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6h-pyrimido[5,4-d][1]benzazepine-6-thi one
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]\1CCC/C1=C\[C@H](COP(=O)(O)O)NC(=O)[C@H](Cc2ccccc2)N	3TB	n-[(1e,2r)-1-[(2r)-2-{[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-l-phenylalaninamide
+C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N	3TC	4-amino-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1h)-one
+CN1C(=O)C(=CNC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3TD	(1s)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-o-phosphono-d-ribitol
+Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cccc4)C	3TE	2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-n-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC	3TF	(2s)-1-(alpha-d-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11z)-octadec-11-enoate
+c1ccc(cc1)C(CC(=O)Cn2ccnc2)c3ccccc3	3TG	1-(1h-imidazol-1-yl)-4,4-diphenylbutan-2-one
+c1ccc2c(c1)C[C@H](C(=O)N2)NC(=O)c3cc4cc(sc4[nH]3)Cl	3TH	2-chloro-n-[(3r)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide
+c1ccc2c(c1)ccc(c2/C=N/c3ccc(cc3)O)O	3TI	1-{(e)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol
+CCN1CNS(=O)(=O)c2c1ccc(c2)F	3TJ	4-ethyl-7-fluoro-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3ccccc3)C	3TK	n-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
+C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4	3TL	benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
+CC1(CCC(c2c1cc(c(c2)OC)c3cc(ccc3O)\C=C\C(=O)O)(C)C)C	3TN	(2e)-3-[4-hydroxy-3-(3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acid
+C[N@@](Cc1cccc(c1)CCc2cccnc2N)Cc3ccco3	3TO	3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine
+C[C@H](c1nc(no1)c2ccc(cc2)S(=O)(=O)C)[C@@H](C(=O)N3CCCC3)N	3TP	(2s,3s)-3-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-oxo-1-pyrrolidin-1-ylbutan-2-amine
+CC(C)CN1CCC(CC1)S(=O)c2ccc(cc2)CNC(=O)c3cc4ccncc4o3	3TQ	n-(4-{(s)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide
+c1[nH]nc(n1)N	3TR	3-amino-1,2,4-triazole
+c1cc(ccc1CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N)N)CO)Cl	3TS	(2s,3s,4r,5r,6r)-2-(aminomethyl)-5-azanyl-6-[(2r,3s,4r,5s)-5-[(1r,2r,3s,5r,6s)-3,5-bis(azanyl)-2-[(2s,3r,4r,5s,6r)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=CC(=NC2=O)N	3TT	[[[[(2r,5s)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
+c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O	3TU	(2s)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2h-isoindol-2-yl)pentanedioic acid
+CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	3TV	2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide
+COCCOc1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O	3TW	4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1h-1,2,3-triazol-1-yl}phenol
+c1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O	3TX	4-[4-(quinolin-2-yl)-1h-1,2,3-triazol-1-yl]phenol
+c1ccc(cc1)CN/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N	3TY	3-[(3e)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine
+c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc(cc4)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3TZ	n-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-l-glutamic acid
+c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)O[C@H]5CNCCC56CC6)F	3U1	3-{6-[(4r)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1h-indazole
+C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)c2ccccc2	3U2	n-[(1s,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide
+C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)C	3U3	n-[(1s,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide
+c1ccc(c(c1)C(=O)O)F	3U4	2-fluorobenzoic acid
+c1ccc2c(c1)cc(cn2)c3c4cc(ccc4n[nH]3)c5cnc(s5)N	3U5	5-[3-(quinolin-3-yl)-2h-indazol-5-yl]-1,3-thiazol-2-amine
+c1cc(nc(c1)NC2CCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N	3U6	6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1h-indol-3-yl]-n-cyclopentylpyridin-2-amine
+c1cc(c(c(c1C(=O)CCc2[nH]ccn2)Cl)Cl)OCCCC(=O)O	3U7	4-{2,3-dichloro-4-[3-(1h-imidazol-2-yl)propanoyl]phenoxy}butanoic acid
+c1cc(c(cc1C(=O)CCc2[nH]ccn2)Cl)OCCCC(=O)O	3U8	4-{2-chloro-4-[3-(1h-imidazol-2-yl)propanoyl]phenoxy}butanoic acid
+C[C@H](c1cc(ccc1OC)F)Oc2cc(cnc2N)c3cnnn3C	3U9	3-[(1r)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-methyl-1h-1,2,3-triazol-5-yl)pyridin-2-amine
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@@H](O3)[C@@H](CO)O)(F)F)(F)F)O)O	3UA	(2r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydrofuran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+C[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)OC(C)C	3UB	propan-2-yl hydrogen (s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@H]([C@H](O3)CO)O)(F)F)(F)F)O)O	3UC	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,5s,6r)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate (non-preferred name)
+C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)CC(=O)Nc5ccc(c(c5)OC)C(=O)O	3UD	4-({[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid
+Cc1cc(ccc1[N+](=O)[O-])C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4	3UE	[4-(diphenylmethyl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone
+c1cc(ccc1SCCO)S(=O)(=O)N	3UF	4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
+C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F	3UG	2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide
+c1ccc(cc1)c2ccc(c(c2)C(=O)NCc3cccc(c3)[N+](=O)[O-])OCC(=O)O	3UH	({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid
+Cc1cn(c2c1cccc2)CCN3CCN(CC3)c4ccccc4c5cc(cc(c5)C(=O)NCCCN6CCCC6)C#N	3UJ	5-cyano-2'-{4-[2-(3-methyl-1h-indol-1-yl)ethyl]piperazin-1-yl}-n-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide
+c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	3UK	5'-o-[(s)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine
+c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3	3UL	n-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide
+C[C@@H]1[C@@H]2C[C@H]([C@@]3([C@@]([C@H]2CC=C1C=C)(CCC[C@]3(C)C(=O)O)C)O)O	3UM	(5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid
+CCOC(=O)C(CCNC(=O)OC(C)(C)C)(Cc1ccc(cc1)NS(=O)(=O)O)C(=O)OCC	3UN	(4-{4-[(tert-butoxycarbonyl)amino]-2,2-bis(ethoxycarbonyl)butyl}phenyl)sulfamic acid
+COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3	3UO	2-[(cyclopropylcarbonyl)amino]-n-(4-methoxypyridin-3-yl)pyridine-4-carboxamide
+c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(c3)NC(=O)C4CC4	3UP	2-[(cyclopropylcarbonyl)amino]-n-(4-phenylpyridin-3-yl)pyridine-4-carboxamide
+C1=CC23=C4([Ru+]2567892%10([CH]3=[CH]5[CH]6=[CH]74)[CH]3=[CH]8C9[CH]2=[CH]%103)C=C1	3UQ	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+)
+c1cc(c(c(c1)F)c2ccc3c(c2)c([nH]n3)c4cncc(n4)N5CCC[C@@H](C5)N)F	3UR	(3s)-1-{6-[5-(2,6-difluorophenyl)-2h-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine
+CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4NCCCCNC(=O)C)O)O	3US	n-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine
+c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(nc(c5O3)F)C6=CCCOC6	3UT	(5s)-3-(5,6-dihydro-2h-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
+CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2OCCC4)c5cccnc5F)N=C1N	3UW	(4s,4a's,10a'r)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1h)-one
+C[C@@]12CCCO[C@H]1[C@@]3(c4cc(ccc4O2)c5cccnc5F)C(=O)N(C(=N3)N)C	3UX	(4s,4a'r,10a's)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'h-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1h)-one
+C[C@@]12CCCO[C@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F	3UY	(4r,4a'r,10a's)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine
+COc1cc(ccc1OCC#C)CCNC(=O)[C@H](c2ccc(cc2)Cl)OCC#C	3UZ	(2s)-2-(4-chlorophenyl)-n-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide
+c1cc(c(cc1I)F)Nc2c3cnccc3oc2C(=O)NOC[C@@H](CO)O	3V0	n-{[(2r)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide
+Cc1c(sc(n1)Cl)C(=O)Nc2cccc(c2)Oc3ccc(cc3)NC(=O)/C(=C(/C4CC4)\O)/C#N	3V1	2-chloro-n-[3-(4-{[(2z)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enoyl]amino}phenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
+CC[C@H](N)P(=O)(O)O	3V2	[(1r)-1-aminopropyl]phosphonic acid
+C(COCCOCCOCCOCCN)C(=O)O	3V3	1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid
+CC1=CC[C@H]2[C@@H](C1)C2(C)C	3V4	(+)-3-carene
+CC(=O)[C@H](C=O)[C@@H]1C[C@@H]([C@H](N1)C(=O)O)SCNCN	3V5	(3s,5s)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2s)-1,3-dioxobutan-2-yl]-l-proline
+C[C@@H]1CC(=C2[C@@H]([C@H]1O)[C@H]([C@@](OC2=O)(C)C(Cl)Cl)NC(=O)[C@H](C)N)O	3V6	bactobolin a
+c1c(nnn1CCCO)CO	3V7	3-[4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl]propan-1-ol
+c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CCC(=O)O	3V8	(4s)-4-[4-(2-carboxyethyl)-1h-1,2,3-triazol-1-yl]-l-proline
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O	3V9	n-(1,3-benzodioxol-5-ylmethyl)-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+C([C@H]([C@@H](CO)O)O)O	3VB	d-threitol
+CC(c1cc2ccc(cc2nc1c3ccccn3)F)Nc4c5c([nH]cn5)ncn4	3VC	n-{(1s)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine
+C[C@@H](c1cc2cccc(c2nc1c3cccc(c3)F)Cl)Nc4c5c([nH]cn5)ncn4	3VD	n-{(1s)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9h-purin-6-amine
+Cc1c(cccn1)c2c(cc3cccc(c3n2)Cl)[C@H](C)Nc4c5c([nH]cn5)ncn4	3VE	n-{(1s)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine
+CC(C)(c1cc(cc(c1)Cl)Cl)C(=O)c2cc(ccc2OC)C(=O)NCc3ccnc(n3)C#N	3VF	n-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@@H](C=C6)C=C[C@H]7C(=O)O	3VH	 (3ar,5as,8s,10as)-1-[(3s,6r,8as)-1'-[(2s)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid
+c1c(cc[n+](c1)C[n+]2ccc(cc2)/C=N/O)/C=N/O	3VI	1,1'-methylenebis{4-[(e)-(hydroxyimino)methyl]pyridin-1-ium}
+[H]/N=C\CNC(=O)CNC(=O)c1ccc(c(c1)C(=O)C(C)(C)c2cc(cc(c2)Cl)Cl)OC	3VJ	3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-n-(2-{[(2z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide
+CCN[C@@H](c1cc(cc(c1)Cl)Cl)C(=O)N[C@H](C(=O)NCC(=O)NCCCS(=O)(=O)C)C(C)(C)C	3VK	n-[(2s)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-l-valyl-n-[3-(methylsulfonyl)propyl]glycinamide
+CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O	3VL	methyl (1r,2r,4s)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
+c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)n[nH]c4N)NC(=O)C5CCC(CC5)CN	3VM	trans-n-{(1s)-1-[4-(3-amino-2h-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide
+C(CCN)C[C@@](CC[C@](CCCCN)(C(=O)O)N)(C(=O)O)N	3VN	(2r,5r)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid
+c1cc(c(cc1F)F)[C@]23COCC[C@H]2CSC(=N3)N	3VO	(4ar,8as)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF	3VP	(4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+c1ccnc(c1)c2ccc(s2)C(=O)N	3VQ	5-(pyridin-2-yl)thiophene-2-carboxamide
+CNCc1ccc(cc1)Cn2cccn2	3VR	n-methyl-1-[4-(1h-pyrazol-1-ylmethyl)phenyl]methanamine
+c1cc(ccc1C(=O)N)n2ccnc2	3VS	4-(1h-imidazol-1-yl)benzamide
+B1(c2cc(c(c(c2[C@H](O1)CC(=O)O)C)C)Oc3cnccn3)O	3VT	[(3r)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid
+B1(c2cc(c(c(c2[C@H](O1)CC(=O)O)C)C)Oc3nc(ns3)N)O	3VU	{(3r)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	3VV	s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9z)-octadec-9-enethioate (non-preferred name)
+c1ccc(cc1)C(=O)C2CCNCC2	3VW	phenyl(piperidin-4-yl)methanone
+CC(=O)Nc1ccc2c(c1)C=CC2=O	3VX	n-(1-oxo-1h-inden-5-yl)acetamide
+Cn1cc(c2c1cccc2)CC(=O)O	3VY	(1-methyl-1h-indol-3-yl)acetic acid
+CC(C)c1ccc(cc1)Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O	3VZ	{6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1h-indol-3-yl}acetic acid
+c1cc(ccc1CN)Cn2cc(cn2)Cl	3W1	1-{4-[(4-chloro-1h-pyrazol-1-yl)methyl]phenyl}methanamine
+CC(C)(C)n1cc2c(n1)C(=O)CC3(O2)CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5	3W2	2'-tert-butyl-1-(2h-indazol-5-ylcarbonyl)-2'h-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'h)-one
+C=CCOc1ccc(cc1)S(=O)(=O)N	3W3	4-(allyloxy)benzenesulfonamide
+c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@@H]5CCCS(=O)(=O)C5	3W4	n-[(3r)-1,1-dioxidotetrahydro-2h-thiopyran-3-yl]-4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide
+c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@H]5CCCS(=O)(=O)C5	3W5	n-[(3s)-1,1-dioxidotetrahydro-2h-thiopyran-3-yl]-4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide
+CCCOc1ccc(cc1)S(=O)(=O)N	3W6	4-propoxybenzenesulfonamide
+CC(C)n1c2c(cn1)CC3(CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5)CC2=O	3W7	1'-(2h-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6h)-one
+CCOc1ccc(cc1)S(=O)(=O)N	3W8	4-ethoxybenzenesulfonamide
+CCN(CC)c1ccc(cc1)C=O	3W9	4-(diethylamino)benzaldehyde
+c1nc(c2c(n1)NC=CC2=O)N	3WA	4-aminopyrido[2,3-d]pyrimidin-5(8h)-one
+Cc1cc(c2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81)C	3WB	(10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium
+Cc1cc(nc2c1cccc2)N3CCNCC3	3WC	4-methyl-2-(piperazin-1-yl) quinoline
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)c3nccs3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N	3WD	2-methyl-l-alanyl-n-[(3r,4s,5s)-3-methoxy-1-{(2s)-2-[(1r,2r)-1-methoxy-2-methyl-3-oxo-3-{[(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+[H]/N=C/1\N[C@@H]2[C@@]3(N1)CCCN3C(=O)c4n2c5ccccc5c4Br	3WE	(2e,3ar,14as)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4h,8h-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O	3WF	ethinyl estradiol
+[C@@H]12[C@@H]([C@H](C([C@H]1Cl)Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	3WG	trans-nonachlor
+CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)I	3WH	n-ethyl-4-{[4-(1h-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide
+c1cc(ccc1N)N2C=CC(=O)c3c2ncnc3N	3WJ	4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8h)-one
+c1cc(ccc1N)Nc2c3c(ncn2)N=CCC3=O	3WK	4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6h)-one
+c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2	3WL	5,6,7-trihydroxy-2-phenyl-4h-chromen-4-one
+CCCCCCCCC/C=C\CCCCCC[C@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCCC)O	3WM	(1s,8e,1'r,8'z)-1,1'-{[(2s)-3-hydroxypropane-1,2-diyl]bis(oxy)}bisoctadec-8-en-1-ol
+c1cc(cc(c1)Nc2c3c(ncn2)NC=CC3=O)N	3WN	4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8h)-one
+c1cc(cc(c1)Nc2c3c(ncn2)N=CCC3=O)N	3WO	4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6h)-one
+C[C@]1(CCSC(=N1)N)c2ccc(cc2F)F	3WP	(4s)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine
+CCCOc1ccn2c(c1)c(cc2C(=O)C)c3ccccc3S(=O)(=O)C	3WQ	1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone
+c1cc(ccc1NC(=O)Nc2cc(ccc2F)C(F)(F)F)N3C=CC(=O)c4c3ncnc4N	3WR	1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5h)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
+CC(C)(C(=O)O)NC	3WS	n,2-dimethyl-l-alanine
+CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)NC	3WT	(3r,4s,5s)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid
+C[C@H]([C@H]([C@@H]1CCCN1)OC)C(=O)O	3WU	(2r,3r)-3-methoxy-2-methyl-3-[(2s)-pyrrolidin-2-yl]propanoic acid
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC	3WV	n,2-dimethyl-l-alanyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+c1ccc(cc1)C[C@@H](c2nccs2)N	3WW	(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
+C[C@]1(CCCN1)C(=O)O	3WX	2-methyl-l-proline
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@]3(CCCN3)C	3WY	2-methyl-l-prolyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N	3WZ	2-methyl-l-alanyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+Cc1nnc2n1-c3ccccc3N(C[C@H]2C)c4ccc(cc4)Cl	3X0	(4r)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
+CCCCCCCCC/C=C/C(=O)O	3X1	(2e)-dodec-2-enoic acid
+c1ccc(c(c1)/C=N/Nc2nc(cs2)c3ccccc3Cl)C(=O)O	3X2	2-[(e)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid
+c1ccc(cc1)n2nc(nn2)c3ccccc3OCc4ccco4	3X3	5-[2-(furan-2-ylmethoxy)phenyl]-2-phenyltetrazole
+CC(C)(C(=O)NCCCC[C@H](C(=O)O)N)NC(=O)CN1C(=O)c2ccccc2C1=O	3X4	n~6~-{n-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]-2-methyl-d-alanyl}-d-lysine
+c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@@H]3CN[C@@H](Cc5cnc[nH]5)C=O	3X5	(2s)-2-({[(3r,4as,8ar)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N	3X6	(2e)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+c1cc(ccc1CN2CCCCC2)c3cc4c5cc(ncc5[nH]c4nc3)C#N	3X7	3-[4-(piperidin-1-ylmethyl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
+c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	3X8	biphenyl-4-yl alpha-d-mannopyranoside
+CC1(C=C(C(N1O)(C)C)CSSC[C@@H](C(=O)O)N)C	3X9	3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl]disulfanyl}-l-alanine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC(c3cccc(c3)F)(F)F	3XA	6-{[(3s,4s)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)F)(F)F	3XB	6-{[(3r,4r)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccc(cc3)F)(F)F	3XC	6-{[(3r,4r)-4-(2-{[2,2-difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F	3XD	6-{[(3r,4r)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C[C@H]1C[C@H](N=C(C1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F	3XE	(4s,6s)-6-{[(3r,4r)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methyl-3,4,5,6-tetrahydropyridin-2-amine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC([C@H]3CCCCN3)(F)F	3XF	6-({(3s,4s)-4-[2-({2,2-difluoro-2-[(2r)-piperidin-2-yl]ethyl}amino)ethoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine
+CCOC(=O)CSC1=Nc2c3ccccc3sc2C(=O)N1CCCN4CCCC4	3XG	ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
+c1cc(cc(c1)O)C(=O)NCC(=O)O	3XH	3-hydroxyhippuric acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)C2CCCCC2	3XI	n-[(2s)-3-methyl-1-[[(2s)-4-methyl-1-oxidanylidene-1-[[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide
+c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O	3XJ	4-{[3-chloro-4-(alpha-d-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid
+CC(=O)Nc1cccc(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N	3XK	n-[3-(6-cyano-9h-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
+c1ccc(c(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N)O	3XL	3-(2-hydroxyphenyl)-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
+CCCCCC(=O)C1=C(C(=CNC1=O)c2ccc(cc2)O)O	3XM	3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1h)-one
+c1cc(ccc1n2ccc3c2ccc(c3)[N+](=O)[O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	3XN	4-(5-nitro-1h-indol-1-yl)phenyl alpha-d-mannopyranoside
+CN1CCN(CC1)C2=C(C(=O)C2=O)Nc3ccc(c(c3)Cl)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	3XO	2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-d-mannopyranoside
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O	3XQ	(2s)-2,3-dihydroxypropyl octadecanoate
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](C[NH2+]1)C(=O)O)O)O	3XR	(2s,3r,4s,5s)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium
+COc1cccc(c1)c2csc(n2)N/N=C/c3ccccc3C(=O)O	3XS	2-[(e)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid
+[H]/N=C\CNC(=O)C1(CCCCC1)NC(=O)c2ccc(c(c2)F)N	3XT	4-amino-3-fluoro-n-(1-{[(2z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide
+CCCCCCCCCCCCC/C=C\[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	3XU	(4s,7s,23z)-4-hydroxy-7-[(1s,2z)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide
+c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cc(ncn3)NC4COC4)O	3XV	n-[(2s)-3-(3,4-dihydroisoquinolin-2(1h)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
+Cc1c(ccc2c1cc(n2Cc3c[nH]nc3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F	3XW	4-methyl-1-(1h-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+C/C=C/1\C(=O)C(=C(O1)C)O	3XX	(2e)-2-ethylidene-4-hydroxy-5-methylfuran-3(2h)-one
+c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N	3XY	5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5ncnc6N)O)O)N	3XZ	bis{[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate
+CCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H](O[C@@H]1S)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	3Y0	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r)-3-oxidanyl-5-sulfanyl-4-tridecoxy-oxolan-2-yl]methyl hydrogen phosphate
+c1cc(c(cc1Br)N)C(=O)NC2(CCCCC2)C(=O)NCC#N	3Y1	2-amino-4-bromo-n-{1-[(cyanomethyl)carbamoyl]cyclohexyl}benzamide
+[H]/N=C/CNC(=O)C1(CCCCC1)NC(=O)c2ccc(cc2N)Cl	3Y2	2-amino-4-chloro-n-(1-{[(2e)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide
+c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5CN)Cl	3Y3	1-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea
+COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)CCc4cc(ccc4n5cnnn5)Cl)Cl	3Y4	methyl (4-{4-chloro-2-[(1s)-1-({3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate
+c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5n6cnnn6)Cl	3Y5	1-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)benzyl]urea
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)NC(=O)N3C=CN(C(=O)C3=O)CC)(O)O	3Y6	3-[(2r)-2-(dihydroxyboranyl)-2-{[(2r)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2h)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid
+c1cc(c2c(c1N)non2)N3CCOCC3	3Y7	7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine
+CC1=C2[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@]([C@@H](N3)CC4=N[C@@](CC5=NC1[C@@](C5CCC(=O)O)(C)CC(=O)O)(C(=C4CCC(=O)O)CC(=O)O)C)(C)C=CC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O	3Y8	3-[(1r,2s,3s,7s,11s,16s,17r,18r,19r)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid
+c1cc(ccc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3Y9	n-{4-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-l-glutamic acid
+c1cc(ccc1CCCCc2cc3c(s2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3YA	n-{4-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-l-glutamic acid
+c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCCc2cc3c([nH]2)N=C(NC3=O)N	3YB	n-({4-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-l-glutamic acid
+c1c(csc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3YC	(s)-2-({5-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-3-carbonyl}amino)pentanedioic acid
+c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	3YD	(s)-2-(7-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)heptanamido)pentanedioic acid
+c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	3YE	(s)-2-(8-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)octanamido)pentanedioic acid
+c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCc2cc3c([nH]2)N=C(NC3=O)N	3YF	(s)-2-({4-[3-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid
+c1c(csc1CCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3YG	(s)-2-({5-[3-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid
+[H]/N=C(\c1cccc(c1)c2c(con2)C(=O)Nc3ccc(cc3)c4ccccc4S(=O)(=O)N)/N	3YH	3-(3-carbamimidoylphenyl)-n-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide
+Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)C=O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O	3YI	(2s,12z,14e,16s,17s,18r,19r,20r,21s,22r,23s,24e)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
+COc1cc(ccc1O)C[C@@H](C(=O)O)N	3YM	3-methoxy-l-tyrosine
+C[C@@H]1C(=O)[C@@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O	3YN	[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl (2r,4r,6r)-4-hydroxy-6-methyl-5-oxotetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+Cc1c(ccc(c1NC(=O)c2cc3ccccc3s2)F)C4=NNC(=O)C(=C4)Nc5cc6n(n5)CCN(C6)C	3YO	n-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide
+C1CCC(C1)CCC(=O)NO	3YP	3-cyclopentyl-n-hydroxypropanamide
+Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O	3YQ	{[(3-methylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid)
+c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3O[C@H]4CCNC4)F	3YR	2-(2,6-difluorophenyl)-n-{4-[(3s)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide
+c1cc(c(cc1NC(=O)c2ccc(cn2)F)[C@]34COC[C@H]3CSC(=N4)N)F	3YS	n-{3-[(4as,7as)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
+c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N	3YT	2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-{[3-(2h-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide
+c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc4c(c3)[nH]nc4N)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl	3YU	(2e)-n-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enamide
+c1cc(cc(c1)n2nccn2)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N	3YV	3-{[(1r,2s)-2-aminocyclohexyl]amino}-5-{[3-(2h-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](CO)O)CO)O)O	3YW	(2s)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
+c1cc2cc[nH]c2c(c1)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N	3YX	3-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)-1,2,4-triazine-6-carboxamide
+c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)[C@@H]4C(=O)NC(=O)N4	3YY	(5r)-5-[3-(4-fluorophenyl)-1-phenyl-1h-pyrazol-4-yl]imidazolidine-2,4-dione
+Cn1c2c(cc(cc2OC)C(=O)N3CC[C@H]([C@H](C3)N)O)nc1c4cc5cccnc5n4CC6CC6	3YZ	[(3s,4r)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1h-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1h-benzimidazol-5-yl}methanone
+CCn1c(cc2c1nccc2)c3nc4cc(cc(c4n3C)OC)C(=O)N5CCC[C@H](C5)N	3Z0	[(3r)-3-aminopiperidin-1-yl][2-(1-ethyl-1h-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1h-benzimidazol-5-yl]methanone
+Cc1ccc(c(c1c2ccc3c(c2)cnc(n3)NC)N)C(=O)Nc4ccc(c(c4)C(F)(F)F)OC	3Z1	2-amino-n-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
+CN1C(=C(C(=O)N1c2ccccc2)C(=O)Nc3ccc(cn3)Oc4ccnc5c4cc(c(c5)OC)OC)c6ccncc6	3Z2	n-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1h-pyrazole-4-carboxamide
+Cc1ccc(c(c1c2ccc3c(c2F)cnc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6	3Z3	4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
+Cc1ccc(c(c1c2ccc3c(c2)sc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6	3Z4	4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
+Cc1ccc(c(c1c2ccc3c(c2)ccc(n3)C)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6	3Z5	4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
+Cc1nc(c2c(cn(c2n1)C)c3ccc4c(c3)CCN4C(=O)Cc5cc(cc(c5)F)C(F)(F)F)N	3Z6	1-[5-(4-amino-2,7-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
+COc1cc(ccc1O)Br	3Z7	4-bromo-2-methoxyphenol
+c1cc2c(cc1Cl)C(=O)NCC2	3Z8	7-chloro-3,4-dihydroisoquinolin-1(2h)-one
+CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccc(c(c3)OC)OC)Nc4ccc5c(c4)C(=O)NCC5)NC(=O)OC	3Z9	methyl {3-[(2r)-1-{(2r)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate
+CN(C(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O)O	3ZA	(4r)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-l-glutamic acid
+c1cc2c(cc1Cl)cc([nH]2)C(=O)O	3ZB	5-chloro-1h-indole-2-carboxylic acid
+CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC	3ZC	6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-n-methylnaphthalene-1-carboxamide
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N	3ZD	(2r)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide
+c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N	3ZE	{2-[(3s,4r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
+c1nc2c(n1[C@H]3CCN(C3)C(=O)CP(=O)(O)O)N=C(NC2=O)N	3ZF	{2-[(3s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
+c1cc2cnccc2cc1NC(=O)NCC(=O)N3CCCC3	3ZG	1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea
+c1ccc(cc1)CCCCCCCCN2CN(C=C2C[C@@H](C(=O)O)N)CCCCCCCCCCC(=O)O	3ZH	11-{4-[(2s)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1h-imidazol-1-yl}undecanoic acid
+CC(C)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC	3ZJ	n-({(3s,4s)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-n-(propan-2-yl)benzamide
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CNC[C@H]2CN(C(C)C)C(=O)c3ccc(c(c3)OCCCOC)OC	3ZK	4-methoxy-3-(3-methoxypropoxy)-n-{[(3s,4s)-4-{[(4-methylphenyl)sulfonyl]amino}pyrrolidin-3-yl]methyl}-n-(propan-2-yl)benzamide
+C=C(C(=O)/C=C\NCCCC[C@@H](C(=O)O)N)N	3ZL	n~6~-[(1z)-4-amino-3-oxopenta-1,4-dien-1-yl]-l-lysine
+Cc1c(sc(n1)[C@H]([C@H]2CCCCN2)NC(=O)c3ccc([nH]3)c4ccc(cc4)Cl)CO	3ZM	5-(4-chlorophenyl)-n-{(s)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2r)-piperidin-2-yl]methyl}-1h-pyrrole-2-carboxamide
+CC(C)N(C[C@@H]1CNC[C@H]1OC(=O)NCc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC	3ZN	(3s,4s)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC(=O)NC2=O	3ZO	2'-deoxy-xanthosine-5'-monophosphate
+CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)O)OC	3ZP	2-[(4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-[(2r,3r,4r,5s,6r)-4-(dimethylamino)-5-[(2s,4r,5s,6s)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2r,3r,4r,5s,6r)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal
+C1CC[C@@H]([C@H](C1)O)O	3ZQ	(1s,2s)-cyclohexane-1,2-diol
+CCOP(=O)([C@H]([C@H](CC1=CC=NC1=O)NC(=O)[C@H](CC2CCCCC2)NC(=O)OCc3cccc(c3)Cl)O)OCC	3ZR	diethyl [(1r,2s)-2-[(n-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-l-alanyl)amino]-1-hydroxy-3-(2-oxo-2h-pyrrol-3-yl)propyl]phosphonate
+C1C[C@@H]2[C@H](C1)O2	3ZS	(1r,5s)-6-oxabicyclo[3.1.0]hexane
+COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(cc3)N	3ZU	(2s)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3h-indol-3-one
+COc1ccc(cc1)C2=Nc3ccc(cc3C2=O)OC	3ZV	5-methoxy-2-(4-methoxyphenyl)-3h-indol-3-one
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[In]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O	3ZZ	protoporphyrin ix containing indium
+CC[C@H](c1ccccc1)NC(=O)c2cc3c(s2)c(n[nH]3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	400	3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-n-[(1r)-1-phenylpropyl]-1h-thieno[3,2-c]pyrazole-5-carboxamide
+CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc(cc2F)C(F)(F)F)OC)C(=O)O	401	(2s)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid
+C1NC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	402	dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethanethiolatato-1kappas:2kappas)-mu-(oxomethylidene)diiron(2+)
+c1ccc(c(c1)N2CCN(CC2)C(=O)[C@@H]([C@H](C(=O)NCCc3cccs3)O)O)Cl	403	(2r,3r)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-n-(2-thiophen-2-ylethyl)butanamide
+CC[C@H](CO)Nc1nc2c(c(n1)NCc3ccccc3)[nH]nc2C(C)C	404	(2r)-2-{[7-(benzylamino)-3-(propan-2-yl)-1h-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol
+c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F	405	(3s)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
+Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)C[N@@]5CC[C@@H](C5)N(C)C	406	n-[3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3s)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl) benzamide
+Cc1cc(ccc1F)S(=O)(=O)N[C@H](C)C(=O)NO	407	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+c1ccc(cc1)[C@@H](CCN)Oc2ccc(cc2)C(F)(F)F	408	(3r)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
+C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)ncnc3N)N)O	409	n-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide
+C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1ncnc2N)N	40A	n-[(2s)-2-aminopropyl]-n-[(6-amino-9h-purin-9-yl)acetyl]glycine
+c1ccc(cc1)c2cccc(c2)c3cccc(c3)C(O)(P(=O)(O)O)P(=O)(O)O	40B	[hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid)
+C[C@@H](CN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N)N	40C	n-[(4-amino-2-oxopyrimidin-1(2h)-yl)acetyl]-n-[(2s)-2-aminopropyl]glycine
+CNCCC(c1ccccc1)Oc2ccc(cc2Br)C(F)(F)F	40D	3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-n-methyl-3-phenyl-propan-1-amine
+CC(C)NC(=O)C(=O)O	40E	oxo(propan-2-ylamino)acetic acid
+C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N	40F	(1s,2s,5r,6s)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
+C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1N=C(NC2=O)N)N	40G	n-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)acetyl]-n-[(2s)-2-aminopropyl]glycine
+C1CC12C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N	40H	(1r,4s,5s,6s)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O	40J	1,6-dichloro-1,6-dideoxy-beta-d-fructofuranosyl 4-chloro-4-deoxy-alpha-d-galactopyranoside
+c1cc(sc1)c2nnc3n2N=C([C@@H](S3)CC(=O)O)c4ccc(cc4)Cl	40K	[(7s)-6-(4-chlorophenyl)-3-(thiophen-2-yl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
+CC[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4	40L	5-fluoro-3-phenyl-2-[(1s)-1-(7h-purin-6-ylamino)propyl]quinazolin-4(3h)-one
+CCC(=O)Nc1cccc(c1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl)C	40M	n-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide
+c1ccc(c(c1)C2=CC(=O)c3cc4c(cc3N2)OCO4)F	40N	6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one
+C1CC[C@H]([C@@H](C1)O)O	40O	(1r,2r)-cyclohexane-1,2-diol
+C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O	40P	pinnatoxin a
+c1cc(ccc1C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N	40Q	4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid
+CCCCn1cncn1	40R	1-butyl-1h-1,2,4-triazole
+CC(CCO)CCO	40S	3-methylpentane-1,5-diol
+CC1=CN(C(=O)NC1=O)CC(=O)N(C[C@H](C)N)CC(=O)O	40T	n-[(2s)-2-aminopropyl]-n-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]glycine
+CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC3CC3	40U	n-{(2r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide
+COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4cc(c5cccnc5c4O)[N+](=O)[O-]	40V	n-{[(3r)-1-(2,3-dihydro-1h-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-n-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(cc3)C(=O)N	40W	4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide
+CCC[C@H]1Cc2c(c3c(n2-c4cc(c(cc4O1)C(=O)N)Cl)CC(CC3=O)(C)C)C	40X	(6s)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(cc4OCC2)C(=O)N	40Y	8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4cc(c(cc4N(CC2)Cc5ccco5)C(=O)N)Cl	40Z	2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5h-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide
+c1ccc(cc1)C(=O)N(c2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C4CCCCC4	410	4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid
+[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccc(cc2)NC(=O)c3cccc(c3)Br)c4ccccc4	411	3-bromo-n-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide
+[H]/N=C(\N)/NCCc1ccc(cc1)B2OC[C@H](O2)CO	412	(r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine
+COc1cc(ccc1OCc2ccccc2)[C@H](C(=O)N[C@@H](c3ccccc3)C(=O)O)Nc4ccc(cc4)C(=N)N	413	(s)-[(r)-2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoyl-phenylamino)-acetylamino]-phenyl-acetic acid
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@@](=O)([C@H](C2CCCCC2)NC(=O)OCc3ccccc3)O	414	(5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccccc2	415	1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea
+CC(C)(C)c1cc2c(cc1Cl)C=C([C@H](O2)C(F)(F)F)C(=O)O	416	(2s)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid
+c1c(c(cc(c1F)F)F)[C@H]2CC[C@@H](C[C@@H]2N)[N@@]3CCn4c(nnc4C(F)(F)F)C3	417	(1s,2r,5s)-5-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-2-(2,4,5-trifluorophenyl)cyclohexanamine
+COC(=O)c1c(cccc1OCCCCNC(=O)[C@H](Cc2ccc(cc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)OCC=C)O	418	2-{4-[2-(s)-allyloxycarbonylamino-3-{4-[(2-carboxy-phenyl)-oxalyl-amino]-phenyl}-propionylamino]-butoxy}-6-hydroxy-benz oic acid methyl ester
+C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)C(c3ccccc3)c4ccccc4)C(C)(C)C)NC	419	n-[(3ar,6s,6as)-1-(n-methyl-l-alanyl-3-methyl-l-valyl)octahydrocyclopenta[b]pyrrol-6-yl]-2,2-diphenylacetamide
+CC1(Cc2c(sc(n2)N3CCOCC3)C(=O)C1)C	41A	5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4h)-one
+c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)NC4CCOCC4)F)Cl	41B	1-[(1s)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1h)-one
+c1cc[n+](c(c1)CCO)CCCS(=O)(=O)[O-]	41D	3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate
+CC(=O)c1ccc(s1)C(=O)N2CCC(CC2)CCC(=O)Nc3cccc(c3)OC	41E	3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-n-(3-methoxyphenyl)propanamide
+c1ccc(cc1)N2CCN(CC2)C(=O)Nc3ccc4c(c3)nns4	41F	n-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide
+Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)O)O	41G	5-[2-(2-azanyl-7-methyl-6-oxidanylidene-1h-purin-9-ium-9-yl)ethanoyl]-2-oxidanyl-benzoic acid
+C[C@@H](c1ccccc1)[C@@H](C(=O)O)N	41H	(betas)-beta-methyl-l-phenylalanine
+c1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl	41I	4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide
+C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C	41J	pinnatoxin g
+C[C@]1(N[C@@H](CS1)C(=O)O)C(=O)O	41K	(2r,4r)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
+c1ccc(cc1)CC(=O)Nn2cnc3c2cccc3	41L	n-(1h-benzimidazol-1-yl)-2-phenylacetamide
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)N)N)NC(=O)N2	41M	n~6~-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}-l-lysinamide
+CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)OCO4	41N	1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone
+c1cc(cc(c1)Cl)C(=O)N2CCN(CC2)c3ccc4c(c3)C=CC4=O	41O	5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1h-inden-1-one
+COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)OC	41P	2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide
+[H]/N=C(/C[C@@H](C(=O)O)N)\O	41Q	4-imino-l-homoserine
+Cc1cc(ccc1F)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO	41R	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(2-methylpropyl)-d-valinamide
+CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(c(c1)OC)F	41S	n~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-n-hydroxy-n~2~-(2-methylpropyl)-d-valinamide
+CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1cccc(c1)COC	41T	n-hydroxy-n~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-n~2~-(2-methylpropyl)-d-valinamide
+CNCC[C@@H](c1ccccc1)Oc2ccccc2OC	41U	nisoxetine
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C/C=C3C[C@H](C[C@@H](C3)O)O)C	41V	(1r,3r,7z,14beta,17alpha)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C3C[C@H](C[C@@H](C3)O)O)C	41W	(1r,3r)-5-[(2z)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
+CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CNCCO3	41X	(2r)-2-[(r)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine
+C[C@@H]1c2ccc(c(c2CCN1[C@@H](C)c3ccc(cc3)C(C)C)c4cc(c(c(c4)F)O)NCC(C)C)OC	41Y	2-fluoro-4-[(1r)-6-methoxy-1-methyl-2-{(1s)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol
+Cc1cccc(c1CNc2cc(nc3c2cccc3C(=O)N)C)C	41Z	4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI	420	n-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]-2-iodoacetamide
+[H]/N=C(\c1ccc2cc(cc(c2c1)NC(=O)c3cccc(c3C)O)C(=O)OC)/N	421	6-carbamimidoyl-4-(3-hydroxy-2-methyl-benzoylamino)-naphthalene-2-carboxylic acid methyl ester
+c1cc2c(cc1CN3CCC(CC3)CN)cc([nH]2)c4c5ccc(cc5[nH]n4)C#N	422	3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)-1h-indazole-6-carbonitrile
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2cn(nn2)CCN(CCn3cc(nn3)CO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O	423	(1-{2-[bis(2-{4-[({(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl}oxy)methyl]-1h-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)methyl (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)Cl)S(=O)(=O)c5ccccc5Cl	424	(2s,4r)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCCc2cn(nn2)CCN(CCn3cc(nn3)CCO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CCO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O	425	2-(1-{2-[bis(2-{4-[2-({(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1h-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)ethyl (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid
+[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)\N	426	6-[(z)-amino(imino)methyl]-n-[3-(cyclopentyloxy)phenyl]-2-naphthamide
+[H]/N=C(\N)/Nc1ccc(cc1)B2OC[C@H](O2)CO	427	(r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenyl)guanidine
+CC(C)c1cn2c(n1)ccc(n2)O	428	2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol
+CC(=O)N[C@@H](Cc1ccc(c(c1)O)OCC(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O	429	2-{4-[2-acetylamino-3-(4-carboxymethoxy-3-hydroxy-phenyl)-propionylamino]-butoxy}-6-hydroxy-benzoic acid methyl ester
+c1cc2c(c[nH]c2nc1)C#N	42A	1h-pyrrolo[2,3-b]pyridine-3-carbonitrile
+C(CN)[C@H](C(=O)O)O	42B	4-amino-2-hydroxybutanoic acid
+CN(C)c1c2c(nc[nH]2)ncn1	42C	n,n-dimethyl-7h-purin-6-amine
+COC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	42D	3,5-dideoxy-5-[(methoxycarbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=CC(=NC2=O)N	42E	[(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
+CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)I)C(=O)OC	42F	methyl (1r,2s,3s,5s)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
+CC(C)NC[C@H](COc1ccc(cc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N)O	42G	4-{(2r)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-n-[2-(4-sulfamoylphenyl)ethyl]benzamide
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O	42H	(4r,7r,18z)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide
+c1ccc(cc1)C(=O)Nc2c3ccc(cc3[nH]n2)c4ccc(cc4)O	42I	n-[6-(4-hydroxyphenyl)-1h-indazol-3-yl]benzamide
+c1cc(c(cc1CCN)Cl)Cl	42J	2-(3,4-dichlorophenyl)ethanamine
+c1cc(ccc1N/N=C\2/c3c(ccc4c3nn[nH]4)NC2=O)S(=O)(=O)N	42K	4-[(2z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide
+CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)F)C(=O)OC	42L	methyl (1r,2s,3s,5s)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
+COc1cc(ccc1Oc2ccc(cc2[N+](=O)O)[N+](=O)O)CO	42M	{4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzene-1,3-diyl}bis[hydroxy(oxo)ammonium]
+c1ccc2c(c1)cccc2CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O	42O	(3~{r})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+COCCCNc1nc(c(c(n1)Cl)c2nc3ccccc3s2)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO	42P	(1r,2s,3r,5r)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol
+Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F	42Q	1-{2-fluoro-4-[(5-methyl-5h-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
+C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O	42R	(3s)-6-(4-bromophenyl)-3-hydroxy-1,3-dimethyl-2,3-dihydropyridin-4(1h)-one
+c1ccc(cc1)N/C(=N\O)/c2cccc(c2)C(F)(F)F	42S	n'-hydroxy-n-phenyl-3-(trifluoromethyl)benzenecarboximidamide
+c1ccc(cc1)/N=C(\c2cc(cc(c2)NC(=O)Nc3c(cccc3Cl)Cl)C(F)(F)F)/NO	42T	3-{[(2,6-dichlorophenyl)carbamoyl]amino}-n-hydroxy-n'-phenyl-5-(trifluoromethyl)benzenecarboximidamide
+c1cc(ccc1c2c(c[nH]n2)c3ccc(c(c3)C(F)(F)F)NCCN4CCNCC4)F	42U	4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]-n-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline
+CN1C(=O)/C(=C\C2=CNC(=O)C=C2)/NC1=S	42V	5-[(e)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1h)-one
+CN1C(=O)C(=CC2=CN(C(=O)C=C2)Cc3ccccc3)NC1=S	42W	(e)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1h)-one
+CCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	42X	n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-[2-(propanoylamino)ethyl]-beta-alaninamide
+CCC(=O)OC[C@@H](C(=O)O)N	42Y	o-propanoyl-l-serine
+c1c2c(cc(c1Cl)Cl)nc([nH]2)C(=O)NCC(=O)O	42Z	n-[(5,6-dichloro-1h-benzimidazol-2-yl)carbonyl]glycine
+C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cccc4	430	5-(1h-benzimidazol-1-yl)-3-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide
+Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2	431	2-(4-methylphenyl)-4h-chromen-4-one
+CCCC(=O)OC[C@@H](C(=O)O)N	432	o-butanoyl-l-serine
+CC(C)(C(=O)O)Oc1ccc(cc1)CCCN(CCc2c(cccc2Cl)F)C(=O)Nc3cccc(c3Cl)Cl	433	2-(4-{3-[1-[2-(2-chloro-6-fluoro-phenyl)-ethyl]-3-(2,3-dichloro-phenyl)-ureido]-propyl}-phenoxy)-2-methyl-propionic acid
+Cc1ccc2c(c1)C(=O)[C@]3(C2=O)[C@@H]([C@@H]([C@@H](O3)c4ccc(c(c4)Cl)Cl)C(=O)Nc5ccc(cc5)c6csnn6)C(=O)O	434	spiro[3-carboxy-4-{(4-[1,2,3]thiadiazol-4-yl-phenyl)-amino-carbonyl} -5-[3,4-dichloro-phenyl]-tetrahydrofuran-2,2'-5-methyl-indan-1,3-dione]
+Cc1cc(cc(c1O)C)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3	435	4-[(e)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide
+CC[C@H](C(=O)N1C[C@H](C[C@H]1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)F)O)NC(=O)[C@H](C)NC	436	(2s)-n-{(2r)-1-[(2r,4s)-2-{[6,6'-difluoro-3'-({(2r,4s)-4-hydroxy-1-[(2s)-2-{[(2s)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1h,1'h-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide
+CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3cccc4c3cccc4	437	1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1h-pyrazol-5-yl}-3-naphthalen-1-ylurea
+CN(C)c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)c4cccc(c4)CN)F)N5CC[C@H](C5)N(C)C)F)C(=O)O	438	2-[(6-{[3'-(aminomethyl)biphenyl-3-yl]oxy}-4-[(3r)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-difluoropyridin-2-yl)oxy]-4-(dimethylamino)benzoic acid
+CN(C)[C@@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl	439	6-chloro-n-{(3s)-1-[(1s)-1-(dimethylamino)-2,3-dihydro-1h-inden-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide
+COc1cc(ccc1O)c2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4	43A	(3z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1h-pyrrol-2-ylmethylene)-1,3-dihydro-2h-indol-2-one
+c1ccc(cc1)CCc2nc3cc(ccc3s2)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NCCSc6ccccc6	43B	3-nitro-n-{4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]benzoyl}-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide
+Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4ccccc4	43C	4-{1-[2-(4-methyl-1h-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1h-imidazol-5-yl}benzonitrile
+Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C	43D	4-{4-(1-methyl-1h-pyrazol-4-yl)-1-[2-(4-methyl-1h-1,2,3-triazol-1-yl)ethyl]-1h-imidazol-5-yl}benzonitrile
+c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl	43E	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea
+COc1cc(ccc1Oc2ccc(cc2Cl)Cl)CCl	43F	2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene
+c1ccc(cc1)c2cccc(c2)N3C=CC(=O)C(=C3)O	43G	1-(biphenyl-3-yl)-3-hydroxypyridin-4(1h)-one
+B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O	43H	[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
+CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3	43J	2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3h)-one
+c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)c6ccnc(c6)F	43K	(5s)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
+c1cc(cc(c1)Br)[C@@H]2C[C@@H](n3c(nnn3)N2)c4cccc(c4)Br	43L	(5s,7r)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
+Cc1cc(ccc1Cl)O	43M	4-chloro-3-methylphenol
+CCNc1cc(cc(c1C(=O)O)Oc2cccc(c2)Cl)[C@@H](c3ccccc3)N4CCC[C@@H](C4)N5C=C(C(=O)NC5=O)C	43N	2-(3-chlorophenoxy)-6-(ethylamino)-4-[(r)-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid
+Cc1c(c2cc(ccc2[nH]1)O)CCNC(=O)COC	43O	n-[2-(5-hydroxy-2-methyl-1h-indol-3-yl)ethyl]-2-methoxyacetamide
+CCc1cc(c(cc1O)O)c2c(c[nH]n2)c3c[nH]cn3	43P	4-(1h-imidazol-4-yl)-3-(5-ethyl-2,4-dihydroxy-phenyl)-1h-pyrazole
+C[C+](CO)[C@@H](COP(=O)(O)OP(=O)(O)O)O	43Q	(3s)-1,3-dihydroxy-4-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate
+CC(=O)Nc1nc2c(s1)CN(CC2)c3cc(cnc3)OC	43R	n-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
+c1coc2c1cc(cc2c3c4c([nH]cn4)nc(n3)N)Br	43S	6-(5-bromo-1-benzofuran-7-yl)-9h-purin-2-amine
+C[C@@H](c1ccccc1)NC(=O)c2cc(cc(c2)F)CN3C(=O)C[C@@](N=C3N)(C)C(C)C	43T	3-{[(4s)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4h)-yl]methyl}-5-fluoro-n-[(1s)-1-phenylethyl]benzamide
+COc1ccc(cc1c2c3c([nH]cn3)nc(n2)N)Br	43U	6-(5-bromo-2-methoxyphenyl)-9h-purin-2-amine
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)c3ccccc3)c4cc(ccc4Cl)Cl	43V	n-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide
+C#CCCOP(=O)(O)OP(=O)(O)O	43W	but-3-yn-1-yl trihydrogen diphosphate
+C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=C(C(=NC2=O)N)F	43X	[(2r,5s)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
+CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC	43Y	[(2r)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate
+c1cc(c(c(c1)F)Cl)CNC(=O)C2C[C@H]([C@H](C2)O)O	43Z	optactamide
+CC#CCOc1ccc(cc1)S(=O)(=O)CCCS	440	3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol
+c1ccc(cc1)CCNC(c2cc(ccc2O)Oc3c(cc(cc3Br)CC(O)O)Br)O	442	2-[3,5-dibromo-4-(4-hydroxy-3-{hydroxy[(2-phenylethyl)amino]methyl}phenoxy)phenyl]ethane-1,1-diol
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)C[C@H](C(=O)N3CCC(CC3)N4CCCNC4=O)O	443	1-(1-{(2s)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1h)-one
+c1ccc(cc1)S(=O)(=O)[N@@](CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O	444	n-(2,2,2-trifluoroethyl)-n-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide
+c1ccc(cc1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	445	n-[oxo(phenylamino)acetyl]-beta-d-glucopyranosylamine
+COC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)NC(=O)CCC(=O)O)Br)c4ccccc4	446	4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1h)-yl]methyl}phenyl)amino]-4-oxobutanoic acid
+COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5	447	n-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide
+C[C@@H]1c2nc(nn2CCN1C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F	448	(2r)-4-[(8r)-8-methyl-2-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrazin-7(8h)-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine
+C[N+]1(CCC(CC1)C(=O)O)C	449	4-carboxy-1,1-dimethylpiperidin-1-ium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)N	44A	9-beta-d-ribofuranuronosyl-9h-purin-6-amine
+c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)NCC(F)(F)F	44B	1,1,1,3,3,3-hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O	44C	4'-(4-{4-[(2-carboxyphenyl)amino]phenoxy}butoxy)-1,1'-biphenyl-4-carboxylic acid
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2O)O[C@H]3C[C@@](Cc4c3c(c5c(c4O)C(=O)c6ccccc6C5=O)O)(C(=O)CO)O)C)N)O	44D	7-[5-(4-amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-4-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy]-6,9,11-trihydroxy-9-(2-hydroxy-acetyl)-7,8,9,10-tetrahydro-naphthacene-5,12-dione
+CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC	44E	(2r)-3-(phosphonooxy)propane-1,2-diyl dihexanoate
+COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccsc2	44F	1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea
+CCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC	44G	(2s)-3-{[(r)-{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
+C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN(C2)CCNC)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl	44I	6-chloro-n-{(3s)-1-[(2s)-1-{(1r,5s)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@@H]([C@@H]3O)O)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N	44J	n-({[(1r,2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](C3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N	44K	n-({[(1r,3s)-3-(6-amino-9h-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N	44L	2',5'-dideoxy-2'-fluoro-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N	44M	2'-azido-2',5'-dideoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
+C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O	44N	2'-c-methyl-5'-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3CNC[C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N	44O	[(2s,6r)-6-(6-amino-9h-purin-9-yl)morpholin-2-yl]methyl {5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(CP(=O)(O)O)O)O)O	44P	5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N	44Q	3',5'-dideoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
+c1nc(c2c(n1)n(cn2)COCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N	44R	n-({2-[(6-amino-9h-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+C1[C@H]([C@@H](O[C@H]1O)[C@@H](COP(=O)(O)O)O)O	44S	2-deoxy-6-o-phosphono-beta-d-lyxo-hexofuranose
+CCc1ccncc1CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O	44T	7-[5-s-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N	44U	beta-phenyl-d-phenylalanyl-n-propyl-l-prolinamide
+C[C@H]1CNC2=C(N1)C(=O)NC(=N2)N	44V	(6s)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3h)-one
+CC1=NC2=C(NC1)N=C(NC2=O)N	44W	2-amino-6-methyl-7,8-dihydropteridin-4(3h)-one
+Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)F	44X	6-{(1s)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)OC)OC	44Z	4-[[(4s,5r)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(N2Cc3cccc(c3)N)O)Cc4cccc(c4)N)Cc5ccccc5)O)O	450	{[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([3-amino)phenyl]methyl-4,7-bia(phenylmethyl)-2h-1,3-diazepinone
+CC(=O)Nc1ccc2c(c1)OCCOCCOc3ccccc3OCCOCCO2	451	n-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide
+CC(=O)c1cc(c(cc1NCC(=O)Nc2ccccc2C(=O)O)Cl)F	452	2-{[n-(2-acetyl-5-chloro-4-fluorophenyl)glycyl]amino}benzoic acid
+CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3ccccn3)F)C(=O)Nc4ccc5c(c4)cn[nH]5	453	(4s)-4-{4-fluoro-3-[(pyridin-2-ylmethyl)carbamoyl]phenyl}-n-(1h-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
+c1ccc(cc1)C2(C3=NCCCN3C(=N2)N)c4ccccc4	454	8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
+c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)N)Cl	455	(3r,4r)-1-sulfamoyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+CC(=O)Nc1nc2c(s1)CN(CC2)c3cncc(n3)OC	456	n-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
+CC1=CC[C@]2(C[C@@H]1[C@H](OC2)c3ccc(cc3)O)CO	458	4-[(1s,2s,5s)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
+CC1CC[C@@]2(CO[C@@H]([C@H]1[C@H]2C)c3ccc(cc3)O)CO	459	4-[(1s,2s,5s,9r)-5-(hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
+CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	45A	5'-o-[(s)-hydroxy(methyl)phosphoryl]adenosine
+CC(=O)N1CCN(CC1)C(=O)Cc2ccc(cc2)Nc3ncc(c(n3)Nc4ccc(cc4)C(=O)Nc5ccccc5Cl)F	45B	4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-n-(2-chlorophenyl)benzamide
+c1c(c(cc(c1Cl)Cl)O)O	45C	4,5-dichlorobenzene-1,2-diol
+CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C	45D	beta,beta-carotene-4,4'-dione
+Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC	45E	1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
+C#CCO[C@H]1C[C@H](NC1)C(=O)O	45F	(4s)-4-(prop-2-yn-1-yloxy)-l-proline
+CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C	45H	beta,beta-carotene-4,4'-dione
+c1ccc(cc1)CCNS(=O)(=O)c2cc(ccc2C(=O)O)S(=O)(=O)N	45I	2-[(2-phenylethyl)sulfamoyl]-4-sulfamoylbenzoic acid
+B1(c2c(ccs2)C(=NN1C)Cl)O	45J	4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2h)-ol
+c1cc2c(cc1N/C=C\3/c4c(ccc5c4scn5)NC3=O)CS(=O)(=O)C2	45K	(8z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7h-[1,3]thiazolo[5,4-e]indol-7-one
+Cc1cccc(c1)C(=O)NN	45L	3-methylbenzohydrazide
+c1cc(ccc1C(=O)NNC2=NCCC2)Br	45M	4-bromo-n'-(3,4-dihydro-2h-pyrrol-5-yl)benzohydrazide
+c1cc2c(cc1CNC3CCCC3)OCO2	45N	n-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
+C[C@@H]1C[C@@H](CN(C1)Cc2nc(nc(n2)N(C)C)N)C	45O	6-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]methyl}-n,n-dimethyl-1,3,5-triazine-2,4-diamine
+c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)NCc4cc(cc(c4)Cl)Cl	45P	3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-n-(3,5-dichlorobenzyl)-benzamide
+Cc1cc(ccc1N)c2cc([nH]n2)NC(=O)c3ccc(cc3)CN4CCN(CC4)C	45Q	n-[3-(4-amino-3-methylphenyl)-1h-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+COc1cc(ccc1C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)c4c[nH]nc4	45R	7-{[2-methoxy-4-(1h-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1h-3-benzazepinium
+Cc1ccc([nH]1)C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CN)Cl	45S	n-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1h-pyrrol-2-yl)carbonyl]-l-prolinamide
+c1nc2c(n1C[C@@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N	45T	{[(2s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCC3)\N	45U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide
+CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C	45V	2-[(1s)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-n,n-dimethylacetamide
+C#CO[C@H]1C[C@@H](NC1)C(=O)O	45W	(4s)-4-(ethynyloxy)-d-proline
+c1cc(cnc1)CCN	45X	2-(pyridin-3-yl)ethanamine
+c1cc(ccc1CC(=O)NN)F	45Y	2-(4-fluorophenyl)acetohydrazide
+c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])F	45Z	2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile)
+Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4	460	2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1h-pyrazol-4-yl]-1,5-naphthyridine
+C[C@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl)N(C)C	461	(e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-{4-[(1r)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide
+[H]/N=C(\N)/NC(=O)Cc1c(csc1c2ccccc2Cl)c3ccc(cc3)OCCC	462	n-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide
+CC(=O)Nc1cccc(c1)CN	463	n-[3-(aminomethyl)phenyl]acetamide
+c1cc(cc(c1)C(=O)NCCN2CCCCC2)c3cc([nH]c3)CC4=C5C=C(C=CC5=NC4=O)NC(=O)N	464	3-[5-({5-[(aminocarbonyl)amino]-2-oxo-2h-indol-3-yl}methyl)-1h-pyrrol-3-yl]-n-(2-piperidin-1-ylethyl)benzamide
+CN1c2c3c(cc(nc3c(c(c2N)Cl)N=C)C(=O)N)C1=O	465	8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide
+CCOc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)c4ccccc4	466	n-[6-(3-ethoxyphenyl)-1h-indazol-3-yl]benzamide
+CC(C)(C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F	467	n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-n-(2,2,2-trifluoroethyl)-d-alaninamide
+Cc1c(cccc1Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3	468	(3s)-n-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
+C[C@@H]1C[N@]([C@H](CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F	469	2-(6-chloro-5-{[(2r,5s)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1h-indol-3-yl)-n,n-dimethyl-2-oxoacetamide
+CCCCN(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)c4nc(cc(n4)C)C	46A	n-butyl-4,6-dimethyl-n-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}pyrimidin-2-amine
+CCCCNc1c(nc2n1cc(cc2)Br)c3ccc(cc3)OCC(=O)O	46B	{4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy}acetic acid
+CCC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)C(=O)O)Cl)c4ccccc4	46C	4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1h)-yl)methyl]benzoic acid
+C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O	46D	(4ar,6r,7s,8r,8ar)-8-((5r,6r)-3-carboxy-tetrahydro-4,5,6-trihydroxy-2h-pyran-2-yloxy)-hexahydro-6,7-dihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid)
+CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC	46E	(2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate
+COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)Cl	46F	(2r)-4-(6-chloropyridazin-3-yl)-n-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
+Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@](C)(c4ccc5c(c4)cc(cn5)OC)F)F	46G	6-{(1r)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline
+C1CCN(CC1)C(=O)[C@H]2CCCNC2	46H	(3s)-piperidin-3-yl(piperidin-1-yl)methanone
+C1CCN(CC1)C(=O)[C@@H]2CCCNC2	46J	(3r)-piperidin-3-yl(piperidin-1-yl)methanone
+CC(=O)NS(=O)(=O)c1ccc(cc1)N/C=C\2/c3c(ccc4c3scn4)NC2=O	46K	n-[(4-{[(z)-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide
+CN(C)c1ccc(cn1)C(=O)O	46L	6-(dimethylamino)pyridine-3-carboxylic acid
+C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O)O)O)C(=O)O	46M	(4ar,6r,7s,8r,8as)-hexahydro-6,7,8-trihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid
+c1cc2c(cc1[C@H]3CCCN3)OCCO2	46O	(2r)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
+Cc1c(sc(n1)N)c2nccn2C	46P	4-methyl-5-(1-methyl-1h-imidazol-2-yl)-1,3-thiazol-2-amine
+CC[C@](C)(CN)N1CCOCC1	46Q	(2r)-2-methyl-2-(morpholin-4-yl)butan-1-amine
+c1conc1C(=O)NCC(F)(F)F	46R	n-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
+Cc1cc(ncn1)N2CCCCCC2	46S	1-(6-methylpyrimidin-4-yl)azepane
+CC(C)/N=C/1\CC=CC=C\C1=N/C(C)C	46T	(1e,2e)-n,n'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCCC3)\N	46U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide
+CNC(=S)Nc1ccc(cc1Cl)Br	46V	1-(4-bromo-2-chlorophenyl)-3-methylthiourea
+[H]/N=C(\N)/N1CCC(CC1)C	46W	4-methylpiperidine-1-carboximidamide
+C1CCN(C1)c2c(c(n[nH]2)N)C#N	46X	3-amino-5-(pyrrolidin-1-yl)-1h-pyrazole-4-carbonitrile
+Cc1cc(nc(c1C#N)NCCCN2CCOCC2)C	46Y	4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile
+c1ccc(cc1)CCO[P@](=O)(O)O[C@@H]2[C@H]([C@@H]([C@H](O2)O)F)O	46Z	(2r,3r,4s,5s)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (s)-phosphate
+CCC/C=C(\CCC)/C1=C([C@@]2(CCC[C@@H]2C1)Nc3ccccc3)c4ccccc4	470	(3as,6ar)-5-[(4e)-oct-4-en-4-yl]-n,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1h)-amine
+CCC(=O)NC[C@H](Cc1ccc(cc1)OCCc2c(oc(n2)c3ccccc3)C)N/C(=C\C(=O)c4ccc(cc4)C(F)(F)F)/C	471	n-((2s)-2-({(1z)-1-methyl-3-oxo-3-[4-(trifluoromethyl) phenyl]prop-1-enyl}amino)-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl)propanamide
+CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cccnc4	472	(5s)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4h-imidazol-4-one
+CN(C)C(=O)[C@@H](C1CCC(CC1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CCC(C4)(F)F)N	474	(2s,3s)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-n,n-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-6-ylcyclohexyl)butanamide
+c1ccnc(c1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	475	n-[oxo(pyridin-2-ylamino)acetyl]-beta-d-glucopyranosylamine
+CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	476	3-butyl-1-(2,2-diphosphonoethyl)pyridinium
+CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)C(F)F)n[nH]3)O	477	3-{2-[5-(difluoromethyl)-2h-thieno[3,2-c]pyrazol-3-yl]-1h-indol-6-yl}pentan-3-ol
+CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N	478	{3-[(4-amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester
+C[C@@H](c1cccnc1)NC(=O)CCC(=O)c2cccs2	479	4-oxo-n-[(1s)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide
+c1cc(ccc1C(=O)CN)Br	47A	2-amino-1-(4-bromophenyl)ethanone
+c1cc(c(cc1c2cn3ccnc3nn2)F)F	47B	3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine
+C=CCONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	47C	2'-deoxy-n-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate)
+c1cc2c(cc1Cl)nc(s2)CN3C(=O)C=CN(C3=O)CC(=O)O	47D	{3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}acetic acid
+c1cc(cc(c1)Cl)[C@H](C(=O)O)O	47E	(2r)-(3-chlorophenyl)(hydroxy)ethanoic acid
+COc1ccc(cc1O)CN	47G	5-(aminomethyl)-2-methoxyphenol
+CC1=CC(Nc2c1cc3c(c2)OCO3)(C)C	47H	6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline
+c1cc(ccc1c2c3ccc(cc3[nH]n2)c4ccc(cc4)O)N5CC[NH2+]CC5	47I	4-[3-(4-piperazin-4-ium-1-ylphenyl)-1h-indazol-6-yl]phenol
+Cc1cc(n(n1)C)CN	47J	1-(1,3-dimethyl-1h-pyrazol-5-yl)methanamine
+CC1CCN(CC1)CC(=O)Nc2cc(no2)C(C)C	47K	2-(4-methylpiperidin-1-yl)-n-[3-(propan-2-yl)-1,2-oxazol-5-yl]acetamide
+C1CCC(CC1)C(=O)NC[C@H]2CCCO2	47L	n-[(2r)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide
+c1cc(oc1CN)C(F)(F)F	47M	1-[5-(trifluoromethyl)furan-2-yl]methanamine
+C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O	47N	neoagarobiose
+C[C@@H](C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2	47P	2-({[(1s)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3h)-one
+c1ccnc(c1)CNc2ccc3c(c2)NC(=O)N3	47Q	5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2h-benzimidazol-2-one
+[H]/N=C(/C)\N(CC)CC	47R	(1z)-n,n-diethylethanimidamide
+CN(C)c1cccc(c1)C(=O)NN	47S	3-(dimethylamino)benzohydrazide
+CC1CCC(CC1)NC(=O)[C@H]2CCCO2	47T	(2r)-n-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide
+Cc1c(c(n(n1)C)C)CC(=O)Nc2ccccn2	47U	n-(pyridin-2-yl)-2-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide
+Cc1cc(c(o1)C)C(=O)Nc2ccncc2	47V	2,5-dimethyl-n-(pyridin-4-yl)furan-3-carboxamide
+COc1cc(ccc1C[NH+]2CC[NH2+]CC2)OCC#Cc3ccc4ccncc4c3	47W	1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium
+c1cc(c(cc1C2=COc3cc(ccc3C2=O)O)O)O	47X	3-(3,4-dihydroxyphenyl)-7-hydroxy-4h-chromen-4-one
+[H]/N=C/1\c2c(c(oc2N=CN1CCCN(C)C)C)C	47Y	3-[(4e)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4h)-yl]-n,n-dimethylpropan-1-amine
+CCCCCCCC(=O)OC[C@H](CO)O	480	(2s)-2,3-dihydroxypropyl octanoate
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCN(CC6)C	481	4-tert-butyl-n-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide
+CCCC(=O)CC(=O)N[C@H]1CCOC1=O	482	3-oxo-n-[(3s)-2-oxotetrahydrofuran-3-yl]hexanamide
+CC1CCC(CC1)NC(=O)Cn2ccnc2	483	2-(1h-imidazol-1-yl)-n-(trans-4-methylcyclohexyl)acetamide
+CCCc1cc(ccc1c2cc(ccc2C)CCc3ccc(c(c3)CO)CO)C(CC)(CC)O	484	3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N)O)O)O	485	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)- acetic acid
+CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O	486	11-(4-dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodec ahydro-cyclopenta[a]phenanthren-3-one
+C[C@@H](c1nc(nc(n1)N(C)C)N)N2CCCCCC2	487	6-[(1s)-1-(azepan-1-yl)ethyl]-n,n-dimethyl-1,3,5-triazine-2,4-diamine
+CN1[C@@H](CS[C@@H]1[C@H]2CSC(=N2)c3ccccc3O)C(=O)O	488	(2r,4r)-2-[(4r)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid
+c1cc(ccc1[C@@H](CN)O)F	489	(1s)-2-amino-1-(4-fluorophenyl)ethanol
+c1ccc(c(c1)C(=O)Nc2ccc(cc2)Nc3c(cnc(n3)Nc4ccc(cc4)O)F)Cl	48B	2-chloro-n-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide
+C[C@H](C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N	48C	5'-(d-alanylamino)-5'-deoxyuridine
+C[C@H]1/C=C(/CCC(=O)CCCC/C=C/[C@@H]([C@H]1O)OC)\C	48D	(4e,6s,7s,8s,9e)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
+c1ccc(cc1)c2cn(nn2)[C@H](CO)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O	48E	5'-deoxy-5'-{[(2r)-3-hydroxy-2-(4-phenyl-1h-1,2,3-triazol-1-yl)propanoyl]amino}uridine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H](C(=O)CO)O)O)O)O)N	48F	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] hydrogen phosphate
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	48G	n-[(2s,3s,4r)-3,4-dihydroxy-1-{[6-o-(naphthalen-1-ylcarbamoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
+C/C(=N\CC(=O)O)/C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	48H	2-[(e)-[(4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid
+c1cc(c(cc1CN2C(=O)C=CN(C2=O)CC(=O)O)[N+](=O)[O-])Cl	48I	[3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl]acetic acid
+C(C(=O)O)(O)O	48J	dihydroxyacetic acid
+CN(C)CCNS(=O)(=O)c1ccc(cc1)N/C=C\2/c3ccccc3NC2=O	48K	n-[2-(dimethylamino)ethyl]-4-{[(z)-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}benzenesulfonamide
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cc(ccc5F)Br)OC	48L	4-({(4s,5r)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)C#N	48M	4-[(4s,5r)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile
+C[C@@H](C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)/N=C/C(=O)O	48N	(2e)-2-[(2s,4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-yl]iminoethanoic acid
+CC(C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N=[N+]=N	48O	5'-deoxy-5'-{[(2s)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine
+C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)CO)O)O	48P	(1r,4r,5r)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid
+CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCC2)C(=O)N/C(=C\c3ccccc3)/[C@@H](CNC(C)(C)c4cccc(c4)OC)O	48Q	~{n}1-[(~{z},3~{r})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{n}3,~{n}3-dipropyl-benzene-1,3-dicarboxamide
+C[C@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)NS(=O)(=O)C	48R	(2r)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methyl-n-(methylsulfonyl)propanamide
+Cc1ccc(cc1)[C@@H](CC(=O)N(C)O)CP(=O)(O)O	48S	[(2r)-4-[hydroxy(methyl)amino]-2-(4-methylphenyl)-4-oxobutyl]phosphonic acid
+c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	48T	l-gamma-glutamyl-s-(2-biphenyl-4-yl-2-oxoethyl)-l-cysteinylglycine
+CN(C)C(=O)c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl	48U	4-[(3s)-3-({[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-n,n-dimethylbenzamide
+C([C@@H](C(=O)N)N)SCC(=O)O	48V	{[(2r)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid
+C[C@@H](C(=O)N1CCC(=O)N(CC1)C)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl	48W	6-chloro-n-{(3s)-1-[(2s)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide
+C(COP(=O)(O)O)C(=O)O	48X	3-(phosphonooxy)propanoic acid
+C(CC(=O)O)[C@@H]([C@H](C(=O)O)O)C(=O)O	48Y	(1r,2s)-1-hydroxybutane-1,2,4-tricarboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O[P@](=O)(O)S	48Z	2-deoxy-2-fluoro-5-o-thiophosphono-alpha-d-arabinofuranose
+Cn1cc(c(n1)COc2ccc(cc2)c3cccc4c3ncn4C)C5=CN(C(=O)C=C5)C	490	1-methyl-5-(1-methyl-3-{[4-(1-methyl-1h-benzimidazol-4-yl)phenoxy]methyl}-1h-pyrazol-4-yl)pyridin-2(1h)-one
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C	491	2-acetamido-3-o-[(1r)-1-carboxyethyl]-2-deoxy-1-o-phosphono-alpha-d-glucopyranose
+c1cc(sc1)c2ccc(s2)CN	492	1-(2,2'-bithiophen-5-yl)methanamine
+CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)OCC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	493	{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-phosphono-phenoxy}-acetic acid
+c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N	494	(2e)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+c1ccc2c(c1)C(=O)NN=C2Cl	495	4-chlorophthalazin-1(2h)-one
+c1c(c(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F)CO	496	2-({[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CC[C@H]1CNCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N	497	6-[amino(imino)methyl]-n-[(4r)-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl]-2-naphthamide
+c1cc(ccc1n2c(cnn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N	498	p-(5-ruthenocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide
+c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N	499	5-[5-(1h-indol-3-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)N	49A	4,9-amino-2,4-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
+c1ccc2c(c1)cc(cn2)c3cc(c(nc3)N)C4=NNC(=S)O4	49B	5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3h)-thione
+c1ccc2c(c1)CC[C@@]23CC(=C(C(=O)O3)Sc4ccccc4Cl)O	49C	(1r)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'h)-one
+C[C@@H](c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2	49D	6-{[(1s)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CC(c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2	49E	6-{[(1r)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+COCC[C@@H]1CCCN1	49F	(2s)-2-(2-methoxyethyl)pyrrolidine
+Cn1ccc(n1)CNCCc2ccccc2	49G	n-[(1-methyl-1h-pyrazol-3-yl)methyl]-2-phenylethanamine
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)OC	49H	4-({(4s,5r)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one
+COc1cc(ccc1N)c2cc3c(c(sn3)N4CCOCC4)nc2	49J	2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline
+CN(CCN)Cc1cn[nH]c1c2ccc(cc2)F	49K	n-{[5-(4-fluorophenyl)-1h-pyrazol-4-yl]methyl}-n-methylethane-1,2-diamine
+CNCCN(C)Cc1c[nH]nc1c2ccc(cc2)OC3CC(C3)OCCC4CCOCC4	49L	n,n'-dimethyl-n-({3-[4-({trans-3-[2-(tetrahydro-2h-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1h-pyrazol-4-yl}methyl)ethane-1,2-diamine
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](/C=C/[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	49M	(1r)-1,5-anhydro-1-[(1e,3s,4s,5r)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-d-galactitol
+c1cc(c(nc1)N2CCNCC2)C(F)(F)F	49N	1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
+c1cc(c(nc1)N2CCNCC2)C#N	49O	2-(piperazin-1-yl)pyridine-3-carbonitrile
+c1cc(cc(c1)n2cc(cn2)O)C(F)(F)F	49P	1-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-ol
+c1ccc(cc1)COc2ccc(cc2)CCCO	49Q	3-[4-(benzyloxy)phenyl]propan-1-ol
+CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2NC1	49R	tert-butyl (3r)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O	49S	2-acetamido-2-deoxy-beta-d-mannopyranuronic acid
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C)O)O	49T	2-acetamido-2-deoxy-alpha-d-fucopyranose
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCC3)/N	49U	(s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
+CC(=O)N[C@H]1[C@H](C=C(OC1O)C(=O)O)O	49V	2-acetamido-2,4-dideoxy-alpha-l-erythro-hex-4-enopyranuronic acid
+CCCN(CCC)C(=O)c1cc(cc(c1)N2CC=CC=C2)C(=O)N[C@@H](Cc3ccccc3)[C@H](CNC(C)(C)c4ccccn4)O	49W	n'-[(2s,3s)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-n,n-dipropyl-5-(pyridin-1(2h)-yl)benzene-1,3-dicarboxamide
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](/C=C/[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O	49X	(1r)-1,5-anhydro-1-{(1e,3s,4s,5r)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-d-galactitol
+CCCCCCCCCCCCCC[C@@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CC/C=C\CCCC[C@@H]2C[C@H]2CCCCCCCCCC)O)O	49Y	(4z)-9-[(1r,2r)-2-decylcyclopropyl]-n-[(2s,3s,4s)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide
+Cc1ccc(s1)CNCCc2ccccc2F	49Z	2-(2-fluorophenyl)-n-[(5-methylthiophen-2-yl)methyl]ethanamine
+c1ccc(c(c1)CNCCC23CC4CC(C2)CC(C4)C3)O	4A0	2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol
+CCCS(=O)(=O)Nc1ccccc1C(=O)O	4A1	2-[(propylsulfonyl)amino]benzoic acid
+COc1ccc(cc1F)/N=C/2\Nc3cc(ccc3N2Cc4ccccc4C(F)(F)F)C(=O)O	4A2	(2e)-2-(3-fluoranyl-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl]-3h-benzimidazole-5-carboxylic acid
+c1cc(c(cc1C(=O)O)O)N	4A3	4-amino-3-hydroxybenzoic acid
+c1c(c(nn1CC(=O)O)C2CC2)Br	4A5	(4-bromo-3-cyclopropyl-1h-pyrazol-1-yl)acetic acid
+CC(=C12=C3[Ru]1456C2=C4C5(=C63)=C)C	4A6	[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]ruthenium
+CN1c2ccc(cc2CCC1=O)NS(=O)(=O)c3ccc(cc3OC)OC	4A7	2,4-dimethoxy-n-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
+CN1c2ccc(cc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3)OC	4A8	n-(1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
+Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F	4A9	2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-n-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide
+c1cc(c(c(c1C(=O)O)N)O)Cl	4AA	4-chloro-3-hydroxyanthranilic acid
+C[C@@H]([C@@H]([C@H]1CNc2c(c(nc(n2)N)N)N1)O)O	4AB	2,4-diamino-6-[2,3-dihydroxy-prop-3-yl]-5,6,7,8-tetrahydropteridine
+CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	4AC	n(4)-acetylcytidine-5'-monophosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)N)[NH3+])O)O)N	4AD	4-amino-1,4-dioxobutan-2-aminium adenosine-5'-monophosphate
+CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccccc4	4AE	n-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]benzenesulfonamide
+CC(=O)c1ccc(cc1)C[C@@H](C(=O)O)N	4AF	4-acetyl-l-phenylalanine
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC	4AG	(2r)-3-hydroxypropane-1,2-diyl dihexadecanoate
+CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2cccnc2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC	4AH	{(1s)-1-[n'-[(2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-n'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester
+c1cc(cc(c1)O)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl	4AJ	2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
+C(CCNS(=O)(=O)O)C[C@@H](C(=O)O)N	4AK	n~6~-sulfo-l-lysine
+c1cc(ccc1CN)CO	4AL	[4-(aminomethyl)phenyl]methanol
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N	4AM	4-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
+c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N	4AN	6-amino-benzo[de]isoquinoline-1,3-dione
+CCOc1c2cccc(c2nc(n1)N=C(N)N)C	4AO	2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine
+c1c[nH+]ccc1N	4AP	4-aminopyridine
+Cn1cccc1CNCCc2c[nH]c3c2cccc3	4AQ	2-(1h-indol-3-yl)-n-[(1-methyl-1h-pyrrol-2-yl)methyl]ethanamine
+Cc1cccc(c1C(=O)OCC(=O)[C@H](CCCNC(=[NH2+])N)N)C	4AR	amino({(4s)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium
+CNCc1nccn1C	4AS	n-methyl-1-(1-methyl-1h-imidazol-2-yl)methanamine
+CC(=O)CCCC(=O)O	4AT	5-oxohexanoic acid
+c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc[nH]3	4AU	1h-benzimidazol-2-yl(1h-pyrrol-2-yl)methanone
+CNCc1cc(ccc1Cl)[N+](=O)[O-]	4AV	1-(2-chloro-5-nitrophenyl)-n-methylmethanamine
+c1cc2c(c(c[nH]2)C[C@@H](C(=O)O)N)nc1	4AW	4-azatryptophan
+C1[C@H](C(=O)NO1)N	4AX	(r)-4-amino-isoxazolidin-3-one
+c1cc(ccc1CBr)C(=O)O	4AY	4-(bromomethyl)benzoic acid
+c1cc(ccc1CN)C(=O)O	4AZ	4-(aminomethyl)benzoic acid
+C(Cn1c2c(c(c(c(c2Br)Br)Br)Br)nn1)CO	4B0	3-(4,5,6,7-tetrabromo-1h-benzotriazol-1-yl)propan-1-ol
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4cccc(c4)[N+](=O)[O-])S(=O)(=O)c5ccc(cc5)[N+](=O)[O-]	4B1	n-benzyl-n-[(3s,4s)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide
+C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)c3cncnc3	4B2	(4s)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine
+CC1(CC(CC(C1)(C)C)Nc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C	4B3	4-bromo-3-(carboxymethoxy)-5-{3-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}thiophene-2-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	4B5	n-{(2r,4s,5s)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-l-leucyl-l-phenylalaninamide
+Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4ccc(cc4)Oc5ccccc5	4B7	2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-n-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
+c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)O	4B8	2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
+c1cc(ccc1CNCCC(=O)O)C(=O)O	4BA	4-[(2-carboxy-ethylamino)-methyl]-benzoic acid
+CC(C)(C)c1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	4BB	4-tert-butyl-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
+CCc1cc(c(cc1O)O)c2c(c([nH]n2)C(=O)O)c3ccc4c(c3)OCO4	4BC	4-(1,3-benzodioxol-5-yl)-5-(5-ethyl-2,4-dihydroxyphenyl)-2h-pyrazole-3-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O	4BD	5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine
+c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Br	4BE	4-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
+c1cc(ccc1C[C@@H](C(=O)O)N)Br	4BF	4-bromo-l-phenylalanine
+c1ccc(cc1)COc2ccc(cc2)NC(=O)CN	4BG	n-[4-(benzyloxy)phenyl]glycinamide
+c1c(c(cc(c1Cl)O)O)c2c(cn[nH]2)N3CCNCC3	4BH	4-chloro-6-(4-piperazin-1-yl-1h-pyrazol-5-yl)benzene-1,3-diol
+Cc1c(c(c2ccccc2n1)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C	4BI	(2s)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid
+CN1c2cc(c(cc2N(C1=O)C)Oc3cccc(c3)OCc4ccccc4)NS(=O)(=O)c5ccc(c(c5)OC)OC	4BJ	n-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide
+Cc1nc(cn1C)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OCC(C)C)N(C(=O)N3C)C	4BK	n-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl}-1,2-dimethyl-1h-imidazole-4-sulfonamide
+Cc1ccc2cc([nH]c2c1)C(=O)O	4BL	6-methyl-1h-indole-2-carboxylic acid
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O	4BM	n-{[(2r)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O	4BN	3-oxo-4-pregnene-20-carboxyl-coenzyme a
+c1ccc(cc1)COc2ccc(cc2)NC(=O)[C@H](CC(=O)O)N	4BO	(3s)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid
+c1cc(ccc1CBr)c2ccc(cc2)CBr	4BP	4,4'-bis(bromomethyl)biphenyl
+c1ccc(cc1)COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N	4BQ	(2s)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
+Cc1ccc(cc1)OCC[P@H](=O)[O-]	4BR	2-(4-methylphenoxy)ethylphosphinate
+c1ccc(cc1)COc2ccc(cc2)NC(=O)CCCN	4BS	4-amino-n-[4-(benzyloxy)phenyl]butanamide
+[H]/N=C(/N)\SCCc1ccc(cc1)CCSC(=N)N	4BT	2-{2-[4-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea
+c1ccc(cc1)[C@@H](COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N)O	4BU	(2s)-2-amino-5-[[4-[(2s)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid
+Cn1cc(nc1)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OC[C@H]5CCOC5)N(C(=O)N3C)C	4BV	n-(1,3-dimethyl-2-oxo-6-{3-[(3s)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1h-benzimidazol-5-yl)-1-methyl-1h-imidazole-4-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N	4BW	2-amino-9-[(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6h-purin-6-one
+c1ccc2c(c1)[nH]c(n2)CCC(=O)O	4BX	3-(1h-benzimidazol-2-yl)propanoic acid
+Cc1ccc2c(c1)cc([nH]2)C(=O)O	4BY	5-methyl-1h-indole-2-carboxylic acid
+[H]/N=C(\c1ccc(cc1)CO)/N	4BZ	4-(hydroxymethyl)benzamidine
+c1ccc(cc1)CCC(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O	4C0	3-(1h-benzimidazol-2-yl)-n-(3-phenylpropanoyl)-d-alanine
+CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCCN(C)C	4C1	n-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
+Cc1c(c(on1)C)S(=O)(=O)NC2=C(C(=O)C2=O)N3CCC(CC3)NCc4ccc(cc4)C(F)(F)F	4C2	n-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
+CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C	4C4	myxopyronin b
+COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N	4C5	(2r)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid
+Cc1ccc(cc1)CC2CCN(CC2)C3=C(C(=O)C3=O)NS(=O)(=O)c4c(noc4C)C	4C6	3,5-dimethyl-n-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide
+C[C@H](CCC[C@@H](C)CCOP(=O)(O)OP(=O)(O)O)CCCC(C)C	4C7	(3r,7s)-3,7,11-trimethyldodecyl trihydrogen diphosphate
+c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br	4C8	2,4-dibromophenyl 2,4,6-tribromophenyl ether
+CC(C)(C)CC(C#N)C(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N	4C9	(2s)-2-({(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCc4ccc(cc4)O)O	4CA	4-hydroxybenzyl coenzyme a
+B(c1ccc(cc1)C(=O)O)(O)O	4CB	4-carboxyphenylboronic acid
+[H]/N=C(\c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N	4CC	n-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1h-benzimidazol-5-yl)carbonyl]-n-pyridin-2-yl-beta-alanine
+Cc1ccccc1[C@H]2CCCN2C(=O)c3cc(c(cc3O)O)Cl	4CD	4-chloro-6-{[(2r)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
+CN1CCN(CC1)C(=O)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)C(=CC(=O)N4)O)Cl)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl	4CE	(2e)-n-[(1s)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1h-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enamide
+c1cc(ccc1C[C@@H](C(=O)O)N)C#N	4CF	4-cyano-l-phenylalanine
+C1C[C@H](/C(=C\[C@H](COP(=O)(O)O)N)/C1)C(=O)O	4CG	(1r,2z)-2-[(2r)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid
+c1cc(ccc1O)Cl	4CH	4-chlorophenol
+c1cc(ccc1C(=O)Nc2cc([nH]n2)C3CC3)C(=O)O	4CK	4-[(5-cyclopropyl-1h-pyrazol-3-yl)carbamoyl]benzoic acid
+c1cc(c(cc1Cl)O)O	4CL	4-chlorobenzene-1,2-diol
+C[P@](=O)(c1ccc(cc1)C(=N)N)O	4CM	(4-carbamimidoylphenyl)-methyl-phosphinic acid
+Cc1nc(cs1)c2ccc3c(c2)CC(=O)N3C	4CN	1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2h-indol-2-one
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O	4CO	4-hydroxyphenacyl coenzyme a
+[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)N)NC(=O)CSc2ccc(cc2)Cl	4CP	2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@H](O2)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O3)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)O)O)O)O)O)O	4CQ	6-o-alpha-d-glucosyl-beta-cyclodextrin
+CCN(C)C(=O)Oc1cccc2c1CC[C@H]2/[N+](=C/C=C)/C	4CR	(1r)-4-({[ethyl(methyl)amino]carbonyl}oxy)-n-methyl-n-[(1e)-prop-2-en-1-ylidene]indan-1-aminium
+CC1=N[C@@H](CCN1)C(=O)O	4CS	(4s)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(ccc1SC[C@H]2C[N@](C[C@@H]2O)Cc3c[nH]c4c3ncnc4N)Cl	4CT	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol
+CCCOc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)CC=C	4CU	(~{e})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid
+CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Br)N4CCOCC4	4CV	3-[(5-bromo-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-n-methyl-4-(morpholin-4-yl)benzenesulfonamide
+CNS(=O)(=O)c1cccc(c1)Nc2c3c([nH]cn3)ncn2	4CW	n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(c(c2)C(F)(F)F)c3ccc(c(c3)C#N)CC(C)C	4CX	n-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide
+C(CSC#N)[C@@H](C(=O)O)N	4CY	nitrilo-l-methionine
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3CC(C)C)c4ccccc4	4CZ	2-[4-(ethylsulfonyl)phenyl]-n-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide
+c1ccc(cc1)c2ccc(cc2)CCC(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	4D0	n-{[3-(biphenyl-4-yl)propanoyl]carbamoyl}-beta-d-glucopyranosylamine
+CC(C)c1ccc(cc1)/C=C/C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	4D1	n-({(2e)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamoyl)-beta-d-glucopyranosylamine
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3cccnc3	4D2	5-[(2s)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid
+COC(=O)/C=C(\C#N)/c1ccc(cc1)F	4D3	methyl (2z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate
+[H]/N=C(/N)\NCC[C@H]([C@@H](C(=O)O)N)O	4D4	(2s,3r)-2-azanyl-5-carbamimidamido-3-oxidanyl-pentanoic acid
+COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](CC(=O)N3CCOCC3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl	4D5	methyl (4-{4-chloro-2-[(1s)-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1h-imidazol-5-yl}phenyl)carbamate
+B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O	4D6	vaborbactam
+Cc1c(cco1)C(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O	4D7	3-(1h-benzimidazol-2-yl)-n-[(2-methylfuran-3-yl)carbonyl]-d-alanine
+C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C	4D8	(3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid
+c1ccc2c(c1)cc(s2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O	4D9	3-(1h-benzimidazol-2-yl)-n-(1-benzothiophen-2-ylcarbonyl)-d-alanine
+CN(C)c1ccc2c(c1)C(=O)N(C2=O)CC[C@@H](C(=O)O)N	4DB	(2s)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl]butanoic acid
+CS(=O)(=O)c1ccc(cc1)[C@@H](CC2CCCC2)C(=O)Nc3nccs3	4DC	(2r)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-n-(1,3-thiazol-2-yl)propanamide
+C[C@H](CCc1ccccc1)N	4DD	(2r)-4-phenylbutan-2-amine
+CCOC(=O)c1c(nn(c1C)c2ccc(cc2)OC)C	4DE	1-(4-methoxyphenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
+CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)Cl	4DF	5-chloro-n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-n~4~-ethyl-n~4~-(1h-indazol-4-yl)pyrimidine-2,4-diamine
+c1nc2c(n1COCCOP(=O)(O)O)N=C(NC2=O)N	4DG	2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy]ethyl dihydrogen phosphate
+Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O	4DH	3-(1h-benzimidazol-2-yl)-n-[(1-methyl-3-phenyl-1h-pyrazol-5-yl)carbonyl]-d-alanine
+[H]/N=C(\N)/SCCCCN(C)C	4DI	4-(dimethylamino)butyl imidothiocarbamate
+Cn1c2ccc(cc2cn1)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5	4DJ	3-(1h-indazol-4-yl{2-[(1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol
+Cc1c(ocn1)c2cccc(c2)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5	4DK	3-[1h-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol
+c1cc2c(cn[nH]2)c(c1)N(CCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5	4DL	2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1h-indazol-4-yl)amino]ethanol
+Cc1c2cccc(c2c(c3c1C[C@H]4CC(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)O)O	4DM	(4as,12as)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
+c1cc2c(cn[nH]2)c(c1)N(CCCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5	4DN	3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1h-indazol-4-yl)amino]propan-1-ol
+CN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F	4DO	n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-n~4~-(1h-indazol-4-yl)-n~4~-methylpyrimidine-2,4-diamine
+CN(C)c1ccc2c(c1)C(=O)N(C2=O)C[C@@H](C(=O)O)N	4DP	3-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl]-l-alanine
+CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F	4DQ	n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-n~4~-ethyl-5-fluoro-n~4~-(1h-indazol-4-yl)pyrimidine-2,4-diamine
+c1cc(c(cc1N=C=S)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)N=C=S	4DS	4,4'-diisothiocyano-2,2'-stilbenedisulfonic acid
+CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)NC4=CCC5=CNN(C5=C4)CCCO)F	4DT	3-[6-({4-[ethyl(1h-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1h-indazol-1-yl]propan-1-ol
+c1cnc(c2c1n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	4DU	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazo[4,5-c]pyridin-4-amine
+Cc1ccccc1c2ccc(cc2F)c3ccc4c(c3)c(c(n4Cc5ccc(cc5)Cl)CC(C)(C)C(=O)O)C	4DV	3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1h-indol-2-yl]-2,2-dimethylpropanoic acid
+c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O	4DW	n-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-l-glutamic acid
+C[C@H]1CCCC[C@@H]1O	4DX	(1s,2s)-2-methylcyclohexanol
+CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O	4DY	(6e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide
+c1ccc2c(c1)c3cc(ccc3c4c2nc([nH]4)c5c(cccc5C#N)C#N)Cl	4DZ	2-(9-chloro-1h-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile
+CCCCCCCCCCCCCCCCOP(=O)(CCCC)F	4E0	1-[butyl(fluoranyl)phosphoryl]oxyhexadecane
+c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O	4E1	10-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid
+c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl	4E2	10-chloro-2-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid
+c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br	4E3	10-bromo-2-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid
+CCC(CC)(CO)C(=O)Nc1ccc(nc1)C	4E4	2-ethyl-2-(hydroxymethyl)-n-(6-methylpyridin-3-yl)butanamide
+c1c(cc(cc1C(=O)O)O)[C@H]2CCN[C@@H]2C(=O)O	4E5	(3r)-3-(3-carboxy-5-hydroxyphenyl)-l-proline
+CCCCCCCCC/C=C/C=C/CC=C	4E6	(4e,6e)-hexadeca-1,4,6-triene
+CCC[C@@H]1CN[C@@H]([C@H]1c2cccc(c2)C(=O)O)C(=O)O	4E7	(3r,4s)-3-(3-carboxyphenyl)-4-propyl-l-proline
+c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3	4E8	3-(3-fluorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
+c1ccc2c(c1)-c3ccc(c4c3c(ccc4)C2=O)Nc5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N	4E9	2'-deoxy-8-[(7-oxo-7h-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)\C=C\c4ccncc4)N	4EA	(1s)-2-(1h-indol-3-yl)-1-[({5-[(e)-2-pyridin-4-ylvinyl]pyridin-3-yl}oxy)methyl]ethylamine
+Cc1ccc(c(c1)C)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F	4EB	4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitrobenzenesulfonamide
+Cc1cc2c(cc1C)sc(n2)/C=C/c3cccnc3	4ED	5,6-dimethyl-2-[(e)-2-(pyridin-3-yl)ethenyl]-1,3-benzothiazole
+CCOc1ccc(cc1)C2=Nn3c(nnc3SC2)c4ccccc4OC	4EE	6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
+CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Cl)N4CCOCC4	4EF	3-[(5-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-n-methyl-4-(morpholin-4-yl)benzenesulfonamide
+COC(=O)/C=C(\C#N)/c1ccccc1	4EG	methyl (2z)-3-cyano-3-phenylprop-2-enoate
+c1cnc(cn1)SC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N	4EH	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol
+c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	4EJ	4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
+c1ccnc(c1)c2cnc3n2nc(cc3)N4CCC[C@@H]4c5cccc(c5)F	4EK	6-[(2r)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine
+Cc1nnc(s1)NS(=O)(=O)c2ccc(cc2)NCc3cc(cc(c3)C(=O)O)c4ccc(nc4)OC	4EL	3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)c1ccc[nH]1)O	4EM	(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1h-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate
+c1c2c(ncnc2nn1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	4EN	[(2r,3s,5r)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CCc1cc(c(cc1O)O)N2c3ccccc3NC2=O	4EO	1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2h-benzimidazol-2-one
+CCCc1cc(c(cc1O)O)N2c3ccccc3NC2=O	4EP	1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2h-benzimidazol-2-one
+c1cc(cnc1)S(NCc2ccc3c(c2)NC(=O)N3c4cc(c(cc4O)O)Cl)(O)O	4EQ	1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2h-benzimidazol-2-one
+c1ccc(c(c1)c2nc(nc(n2)N)N)Cl	4ER	6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
+Cc1cc(nc(n1)N)c2ccc(cc2Cl)[N+](=O)[O-]	4ES	4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine
+c1cc(ccc1C(=O)c2cc(ccc2O)Cl)O	4ET	(5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone
+c1cc(ccc1C(=O)c2ccc(cc2O)O)O	4EU	(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone
+c1cc(cc(c1)O)C(=O)c2ccc(cc2O)O	4EV	(2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone
+c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)c6[nH]nnn6)F)Cl	4EW	2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-n-[(1r,2s,3s,4r)-3-(1h-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine
+B1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O	4EX	(3~{a}~{s},6~{s},6~{a}~{r})-3~{a}-methyl-2,2-bis(oxidanyl)-6,6~{a}-dihydro-5~{h}-furo[2,3-d][1,3,2]dioxaborol-6-ol
+C1=C(C=[N](C=C1C=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)S	4EY	1-[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-5-methanethioyl-pyridine-3-carbothioic s-acid
+CCCCCCN(Cc1c[nH]c2c1ncnc2N)CO	4EZ	{[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol
+CSC[C@@H]1CN(C[C@H]1O)Cc2c[nH]c3c2ncnc3N	4F0	(3s,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
+c1ccc2c(c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc(cc4)C(=O)O	4F1	4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1h-indazol-3-yl}benzoic acid
+CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C4CCCC4	4F2	1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea
+C[C@@H]([C@@H](c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2c(ccc3)F)N)O	4F3	[2-(1-amino-2-hydroxy-propyl)-4-(4-fluoro-1h-indol-3-ylmethyl)-5-hydroxy-imidazol-1-yl]-acetic acid
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)c5cccs5	4F4	n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide
+CC(=O)Nc1ccc(cc1)N([C@H](c2ccsc2)C(=O)NC(C)(C)C)C(=O)Cn3c4ccccc4nn3	4F5	n-[4-(acetylamino)phenyl]-2-(1h-benzotriazol-1-yl)-n-[(1r)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide
+c1cc(cc(c1)F)[C@@H]2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N	4F6	4-{6-[(3r)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile
+c1ccc(cc1)c2c[nH]c(n2)CCc3cnc4ccccc4n3	4F7	2-[2-(4-phenyl-1h-imidazol-2-yl)ethyl]quinoxaline
+c1ccc(cc1)c2[nH]c(c(n2)C(=O)O)C(=O)O	4F8	2-phenyl-1h-imidazole-4,5-dicarboxylic acid
+c1cnccc1c2cnc[nH]2	4F9	4-(1h-imidazol-5-yl)pyridine
+c1cc(ccc1CCO)F	4FA	4-fluorophenethyl alcohol
+C1[C@@H](CN[C@@H]1C(=O)O)F	4FB	(4s)-4-fluoro-l-proline
+c1cc(ccc1c2ccc(cc2)F)C(=O)O	4FC	4'-fluoro-1,1'-biphenyl-4-carboxylic acid
+c1ccc(cc1)CNc2ccc(cn2)C(=O)N	4FD	6-(benzylamino)pyridine-3-carboxamide
+COc1ccc(cc1O)\C=C\C(=O)O	4FE	(2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
+Cc1c(nc([nH]1)c2ccccc2)C(=O)O	4FF	5-methyl-2-phenyl-1h-imidazole-4-carboxylic acid
+c1cc(ncc1C(=O)N)N	4FG	6-aminopyridine-3-carboxamide
+C1=CN(C(=S)C=C1C(F)(F)F)O	4FH	1-hydroxy-4-(trifluoromethyl)pyridine-2(1h)-thione
+Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)O	4FI	(2r)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid
+Cc1c(c2ccc(cc2nc1c3ccccn3)F)N4CC5(CCOCC5)c6c4cc(cn6)N7CCOCC7	4FJ	1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine]
+c1cnccc1c2[nH]ccn2	4FL	4-(1h-imidazol-2-yl)pyridine
+c1cc(ccc1CNC(=O)c2c(non2)N)Cl	4FM	4-amino-n-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide
+CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCCC2)NC(=O)c3cccc4c3con4	4FN	n-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide
+C(CN)[C@H](C(=O)O)N	4FO	(2r)-2,4-diaminobutanoic acid
+c1cc(ccc1CC2CCNCC2)F	4FP	4-(4-fluorobenzyl)piperidine
+CC(C)C(=O)c1c2ccccn2nc1Cc3cccc(c3)/N=N/c4ccc5c(cc(c(c5c4O)N)S(=O)(=O)O)S(=O)(=O)O	4FQ	4-amino-5-hydroxy-6-[(e)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid
+Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C	4FR	3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1h-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide
+c1ccc2c(c1)cc(cn2)N	4FS	quinolin-3-amine
+c1ccc2cnncc2c1	4FT	phthalazine
+C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O	4FU	(1r,2s)-cyclohexane-1,2-dicarboxylic acid
+C1C[C@@H](C[C@@H]1NC(=O)c2c(non2)N)O	4FV	4-amino-n-[(1r,3s)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide
+c1cc2c(c(c1)F)c(c[nH]2)C[C@@H](C(=O)O)N	4FW	4-fluorotryptophane
+COc1ccccc1CNc2ccc(cn2)C(=O)N	4FX	6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide
+c1ccc(cc1)c2[nH]c(c(n2)C(=O)N3CCOCC3)C(=O)O	4FY	4-(morpholin-4-ylcarbonyl)-2-phenyl-1h-imidazole-5-carboxylic acid
+[H]/N=C(\c1ccc(cc1)C=O)/N	4FZ	4-formylbenzenecarboximidamide
+CN(C)c1cccc(c1)CNc2ccc(cn2)C(=O)N	4G0	6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
+Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4	4G1	n-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
+Cc1c(nc([nH]1)c2cccc(c2)Cl)C(=O)O	4G2	2-(3-chloro-phenyl)-5-methyl-1h-imidazole-4-carboxylic acid
+c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N	4G3	6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide
+CN(C)c1ccccc1CNc2ccc(cn2)C(=O)N	4G4	6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
+CN(CC(=O)N)C(=O)c1c([nH]c(n1)c2ccccc2)C(=O)O	4G5	4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1h-imidazole-5-carboxylic acid
+CC(C)(CN)N	4G6	2-methylpropane-1,2-diamine
+c1cc(cc(c1)C(=O)O)CNC(=O)c2ccc(cc2OCC(=O)O)F	4G7	3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid
+c1ccc(cc1)CN(CC(=O)O)C(=O)c2c([nH]c(n2)c3ccccc3)C(=O)O	4G8	4-[benzyl(carboxymethyl)carbamoyl]-2-phenyl-1h-imidazole-5-carboxylic acid
+CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl	4G9	2-chloro-n-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
+CCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O	4GA	1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1h-imidazol-3-ium
+CCSCOc1ccc(cc1NC(=O)C)S(=O)(=O)N2CCCCCC2	4GB	n-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O	4GC	beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose
+Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4	4GD	n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O	4GE	5-[benzyl(methyl)carbamoyl]-2-(3-chlorophenyl)-1h-imidazole-4-carboxylic acid
+CC(C)N1CCC(CC1)c2cc(n(n2)c3ccc(cc3F)C4CC4)NC(=O)c5cnn6c5nccc6	4GF	n-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1h-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CCSCC(=O)N(C)Cc1cnn(c1)c2ccccc2	4GG	2-(ethylsulfanyl)-n-methyl-n-[(1-phenyl-1h-pyrazol-4-yl)methyl]acetamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H](C[C@H](O1)CO)O)O)[C@@H](CCCCCCCCCCCCCCC)O	4GH	n-{(2s,3r)-1-[(4-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
+c1cc(cc(c1)S(=O)(=O)N2CCCC[C@H]2C(=O)OCCCc3cccnc3)[N+](=O)[O-]	4GI	3-(pyridin-3-yl)propyl (2s)-1-[(3-nitrophenyl)sulfonyl]piperidine-2-carboxylate
+c1cnccc1SSC[C@@H](C(=O)O)N	4GJ	3-(pyridin-4-yldisulfanyl)-l-alanine
+Cc1cnc(c2n1nc(n2)CCc3nc4c5cccnc5ccc4n3C)C	4GK	2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3h-imidazo[4,5-f]quinoline
+C([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O	4GL	alpha-d-gulopyranose
+c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)O	4GM	6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide
+c1cc(ncc1C(=O)N)NCC2CCCC2	4GN	6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide
+c1cc(ncc1C(=O)N)NC2CCCC2	4GO	6-(cyclopentylamino)pyridine-3-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(=O)O)O)O)O)O	4GP	n-(carboxycarbonyl)-beta-d-glucopyranosylamine
+c1cc(c2c(c1)NC(=O)CO2)[C@H](CNCCN(C3CCCCC3)C(=O)CCNCCc4ccc(c(c4)Cl)Cl)O	4GQ	n-cyclohexyl-n~3~-[2-(3,4-dichlorophenyl)ethyl]-n-(2-{[(2r)-2-hydroxy-2-(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide
+COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl	4GR	methyl (4-{4-chloro-2-[(1s)-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate
+C1CNCCC1NC(=O)c2c(non2)N	4GS	4-amino-n-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide
+c1c(c(nc(n1)NC2CCCC2)N)C(=O)N	4GT	4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
+c1ccc(c(c1)Nc2c3cn[nH]c3ncn2)F	4GU	n-(2-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	4GW	5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate)
+c1ccnc(c1)CN2CCN(CC2)C(=O)c3c(non3)N	4GX	(4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
+C1CCC(CC1)CNC(=O)c2c(non2)N	4GY	4-amino-n-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide
+Cc1cccc(c1)C(=O)NCCC2(CCCCC2)CNc3ccc(cn3)C(=O)N	4GZ	6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-3-carboxamide
+c1c(c(c(c(c1F)F)OCC(=O)C(CC(=O)O)N)F)F	4H0	(3s)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
+c1cc(ncc1C(=O)N)NC[C@@H]2CCC[C@@H](C2)CN	4H1	6-({[(1r,3s)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide
+CC1=CC(=S)NC=C1	4H2	4-methylpyridine-2(1h)-thione
+c1cc(ncc1C(=O)N)N[C@@H]2C[C@@H]([C@H](C2)O)CO	4H3	6-{[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide
+c1cc(ccc1[C@H]2C[C@@H]2NC(=O)c3c(non3)N)S(=O)(=O)N	4H4	4-amino-n-[(1s,2r)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide
+COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl	4H5	(1-chloro-7-methoxy-9h-beta-carbolin-9-yl)acetonitrile
+c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)N3CCOCC3	4H6	6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide
+CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(=O)N	4H7	6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide
+CC(C)(C)CNc1ncc(c(n1)N)C(=O)N	4H8	4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide
+COc1ccc(cc1)C(=O)n2c(ncn2)N	4H9	(5-amino-1h-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone
+C(CCO)C[NH3+]	4HA	4-hydroxybutan-1-aminium
+c1cc(ccc1c2ccc(cc2)O)O	4HB	4,4'-dihydroxybiphenyl
+c1ccc2c(c1)C(=CC(=O)O2)O	4HC	4-hydroxy-2h-chromen-2-one
+CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@H](CCC(=O)O)O	4HD	(4s,5e,7z,10z,13z,16z,19z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccc(cc9)Cl)C=C)C	4HE	(4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)]iron
+c1cc(sc1CC[C@@H]2CC3=C(NC2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	4HF	n-[(5-{2-[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}-2-thienyl)carbonyl]-l-glutamic acid
+c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I	4HG	n-[(4-hydroxy-8-iodoisoquinolin-3-yl)carbonyl]glycine
+CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCS)O	4HH	o-[(s)-hydroxy{[(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-l-serine
+CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NCc3ccccc3	4HI	(3r,5r)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1h-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
+CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O)O	4HJ	o-[(r)-hydroxy{[(3r)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-l-serine
+CCc1cc-2c(cc1O[C@H]3CCOC3)Cc4c2n[nH]c4c5ccc(nc5)C#N	4HK	5-{7-ethyl-6-[(3s)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile
+c1cc(ccc1CN/[NH+]=C/2\C=C(C(=O)C=C2[O-])C[C@@H](C(=O)O)N)O	4HL	(6e)-4-[(2s)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate
+COc1cc(ccc1O)OO	4HM	4-hydroperoxy-2-methoxy-phenol
+CCOc1ccccc1c2ccc(cc2)c3c(c(c4cnccc4n3)O)C#N	4HN	2-(2'-ethoxybiphenyl-4-yl)-4-hydroxy-1,6-naphthyridine-3-carbonitrile
+CC1=CC(=O)N(C=C1)O	4HO	1-hydroxy-4-methylpyridin-2(1h)-one
+c1cc(ccc1CC(=O)O)O	4HP	4-hydroxyphenylacetate
+CN1CCN(CC1)C(=O)c2c(non2)N	4HQ	(4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone
+c1ccc(c(c1)CO)Br	4HR	(2-bromophenyl)methanol
+C1=CC(=O)NC=C1Br	4HS	5-bromopyridin-2(1h)-one
+c1cc2c(c(c1)O)c(c[nH]2)C[C@@H](C(=O)O)N	4HT	4-hydroxytryptophan
+c1cc(nc(c1)Br)CO	4HU	(6-bromopyridin-2-yl)methanol
+COc1ccc(cc1OC)c2cc(co2)C(=O)N[C@H](Cc3cccc(c3)C#N)CO	4HV	n-[(2r)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide
+c1ccc(cc1)Nc2cc(ncn2)n3c(nc(n3)Nc4ccccc4)N	4HW	n~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1h-1,2,4-triazole-3,5-diamine
+[H]/N=C(/NCCC[C@@H](C(=O)N([C@@H]1C[C@H](NC1)C(=O)N)O)N)\N[N+](=O)[O-]	4HX	(4r)-4-(hydroxy{n~5~-[imino(nitroamino)methyl]-l-ornithyl}amino)-l-prolinamide
+c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O	4HY	[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-acetic acid
+C[C@@H](C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F	4HZ	n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-n-(2,2,2-trifluoroethyl)-l-alaninamide
+[H]/N=C(/[C@@H]1CCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)CCCc3ccccc3)N=[N+]=N)\O	4I4	(5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N	4I5	(6s)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide
+COc1ccc(cc1OCc2ccccc2C(F)(F)F)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6	4I7	(4~{a}~{s},8~{a}~{r})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
+COC(=O)c1ccc2c(c1)OC(=O)N2	4I8	methyl 2-oxidanylidene-3~{h}-1,3-benzoxazole-6-carboxylate
+Cc1c(cncc1Cl)OC(=O)c2cccc3c2cc[nH]3	4I9	5-chloro-4-methylpyridin-3-yl 1h-indole-4-carboxylate
+CC(C)c1ccc(cc1)C(=O)O	4IA	4-propan-2-ylbenzoic acid
+CC(C)(c1cc(c(c(c1)I)O)I)c2cc(c(c(c2)I)O)I	4IB	tetraiodobisphenola
+c1c(nc[nH]1)/C=C/CC(=O)O	4IC	(3e)-4-(1h-imidazol-4-yl)but-3-enoic acid
+Cc1ccc(c(c1)C)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)Nc3ccccc3C(F)(F)F	4ID	2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-n-[2-(trifluoromethyl)phenyl]acetamide
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)c4cc(cc(c4)F)F)CCCOC	4IG	(2s)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2h-1,4-benzoxazin-3(4h)-one
+CS(=O)(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2	4IH	~{n}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide
+c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=[N-]	4II	(2~{s})-2-azanyl-3-(4-azidophenyl)propanoic acid
+c1cc(c2c(c1)NCC2)C(=O)Oc3cc(cnc3)Cl	4IJ	5-chloropyridin-3-yl 2,3-dihydro-1h-indole-4-carboxylate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)CN)O)O)N	4IK	(2s,5s)-2,6-diamino-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid
+c1cc(c2c(c1)[nH]cc2C[C@@H](C(=O)O)N)N	4IN	4-amino-l-tryptophan
+c1cc(cc(c1)S(=O)(=O)n2ccc3c2ccc(c3)C(=O)Oc4cc(cnc4)Cl)[N+](=O)[O-]	4IO	5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1h-indole-5-carboxylate
+[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	4IP	inositol-(1,3,4,5)-tetrakisphosphate
+Cc1ccc(cc1)CN2CCS(=O)(=O)N(C2)CCc3ccc(cc3)S(=O)(=O)N	4IQ	4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide
+C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C	4IR	{n-(4-{[2-(amino-kappan)ethyl]sulfamoyl-kappan}phenyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(iii)
+[H]/N=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c([nH]2)cccc3OC	4IT	n-[(2s)-1-({(1e,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+Cn1c2cc(ccc2nc1CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)C(=O)O	4IU	2-[[(2r,3r,4r)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2h-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid
+c1cc(c(nc1CCCn2cc(nn2)CCCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C=N\O)O	4IX	(2r,3r,4s,5s,6r)-2-[4-[1-[3-[6-[(z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
+c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CCCO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CCCO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O	4J0	(2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol]
+c1ccc2cc(ccc2c1)C[C@H](C(=O)O)N	4J2	(2r)-2-amino-3-(naphthalen-2-yl)propanoic acid
+NOS(=O)(=O)N	4J3	amino(aminooxy)sulfane dioxide
+c1cc(ccc1CNC(=O)CSC[C@@H](C(=O)O)N)c2ccc(cc2F)F	4J4	s-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-l-cysteine
+C(CNC(=[NH2+])N)[C@@H](C(=O)O)N	4J5	amino{[(3s)-3-amino-3-carboxypropyl]amino}methaniminium
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@H](C=O)[C@@H](C)O	4J6	(4r,5s)-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1h-pyrrole-2-carboxylic acid
+Cc1cc([nH]n1)Nc2c(c(nc(n2)Sc3ccc(cc3F)S(=O)(=O)Cc4cccc(c4F)[N+](=O)[O-])N5CCOCC5)OC	4J7	2-({2-fluoro-4-[(2-fluoro-3-nitrobenzyl)sulfonyl]phenyl}sulfanyl)-5-methoxy-n-(3-methyl-1h-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-4-amine
+Cc1ccc(cc1)S(=O)(=O)N	4J8	4-methylbenzenesulfonamide
+c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O	4J9	(2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol]
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](COP(=O)(O)O)O)O)O)O	4JA	(2s)-3-[(6-deoxy-beta-d-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate
+CCc1ccc(cc1)S(=O)(=O)N	4JC	4-ethylbenzenesulfonamide
+CCCc1ccc(cc1)S(=O)(=O)N	4JE	4-propylbenzenesulfonamide
+CC[C@@]1([C@H](C(=O)C2=C3C(=O)c4c(ccc(c4C(=O)C3=C(C2[C@H]1O[C@@H]5C[C@@H]([C@H]([C@@H](O5)C)N(C)C)O)NN)O)O)[C@H]6C(=O)C7=C8C(C(=C7[C@H]([C@@]6(CC)O[C@H]9C[C@@H]([C@H]([C@@H](O9)C)O)OC)O[C@@H]1C[C@@H]([C@H]([C@@H](O1)C)N(C)C)O)NN)C(=O)C1=C(CC=C(C1C8=O)O)O)O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O)OC	4JF	(1r,1'r,2s,2's,3r,3'r,5ar,10ar,11a's)-2'-[(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11 '-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-l-arabino -hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1h,1'h-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranoside
+Cc1c(sc(n1)Nc2ccc3ccccc3c2)C(=O)C	4JG	1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone
+c1cc(cc(c1)Br)CN	4JH	1-(3-bromophenyl)methanamine
+c1cc(c(cc1Cl)N)N	4JJ	4-chlorobenzene-1,2-diamine
+[H]/N=C(\CO)/NCCC[C@@H](C(=O)O)N	4JK	(s)-2-amino-5-(2-hydroxyacetimidamido)pentanoic acid
+c1cc(ccc1CO)Cl	4JL	(4-chlorophenyl)methanol
+CSc1ccc(cc1)N	4JM	4-(methylsulfanyl)aniline
+c1cc(ncc1N)Br	4JN	6-bromopyridin-3-amine
+Cc1c(ccc(n1)N)Br	4JO	5-bromo-6-methylpyridin-2-amine
+c1cc2c(cc[nH]2)nc1	4JP	1h-pyrrolo[3,2-b]pyridine
+c1cc2c(cc1N)C=CC(=O)O2	4JQ	6-amino-2h-chromen-2-one
+Cn1ccnc1CN2CCC3(CC2)CCN(C3=O)c4ccc(cc4)c5ccccc5	4JR	2-(biphenyl-4-yl)-8-[(1-methyl-1h-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
+CCC(=O)Nc1cc2ccccc2nc1	4JS	n-(quinolin-3-yl)propanamide
+c1ccc2c(c1)N=C(CS2)N	4JT	2h-1,4-benzothiazin-3-amine
+CC1CCC(CC1)N	4JU	trans-4-methylcyclohexanamine
+Cc1ccc(cc1)COc2cccc3c2c(nc(n3)N)N	4JV	5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine
+CN(c1ccccc1)C(=O)[C@@H]2COc3ccccc3O2	4JW	(2s)-n-methyl-n-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
+Cc1cc(n2c(n1)c(cn2)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O)C	4JX	n-[(1r,2s,3s,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4)/N	4JY	4-[[(r)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1h-imidazol-2-yl)methyl]amino]benzenecarboximidamide
+Cc1ccc(cc1)N2C(=NC(=O)Nc3cc(n[nH]3)COc4cccnc4)C=C(N2)C(C)(C)C	4JZ	1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3h-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1h-pyrazol-5-yl}urea
+c1cc2c(c[nH]c2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)C#N	4K0	4-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile
+[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4C(=O)N)/N	4K1	2-[2-[(r)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1h-imidazol-4-yl]benzamide
+c1cc2cccnc2c(c1)OC(=O)N3CCCCC3	4K2	quinolin-8-yl piperidine-1-carboxylate
+c1ccc(cc1)NC(=O)CCS	4K3	n-phenyl-3-sulfanylpropanamide
+CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C	4K4	2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+COc1cc(c(cc1Nc2ncc(c(n2)NC3CC3)C(F)(F)F)F)C(=O)N4CCOCC4	4K5	(4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone
+Cc1cc2c(cc1C)nc([nH]2)CCNC(=O)c3ccc(cc3)n4cnnc4	4K6	n-[2-(5,6-dimethyl-1h-benzimidazol-2-yl)ethyl]-4-(4h-1,2,4-triazol-4-yl)benzamide
+Cc1ccc(cc1)CNC(=O)N2CCC[C@@]3(C2)CCN(C3)Cc4ccc(c(c4)Cl)Cl	4K7	(5r)-2-(3,4-dichlorobenzyl)-n-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
+c1ccc2cnc(cc2c1)C(=O)O	4K8	isoquinoline-3-carboxylic acid
+c1ccc2c(c1)CCCN2C(=O)c3ccc(cc3)S(=O)(=O)N	4K9	4-(3,4-dihydroquinolin-1(2h)-ylcarbonyl)benzenesulfonamide
+Cc1c2c(c[nH]n2)[nH]n1	4KA	3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole
+c1cc(ccc1C(=O)N2CCc3cc(c(cc3C2)O)O)S(=O)(=O)N	4KB	4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1h)-yl)carbonyl]benzenesulfonamide
+c1ccc2c(c1)CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N	4KC	4-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)benzenesulfonamide
+COc1cc2c(cc1OC)CN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N	4KD	4-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)carbonyl]benzenesulfonamide
+c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@@H]2O)O)C(=O)O)O	4KE	(3r,4s,5r)-3,4-dihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid
+CC[C@H](C)[C@@H]([C@H](C(=O)NCc1cc(cc(c1)OC)OC)O)C(=O)O	4KF	(2s,3s)-2-{(1r)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid
+c1ccc(cc1)c2ccc3c(c2)N=C(N(C3=O)C[C@H]4CC[C@H](O4)c5ccccc5)N	4KG	2-amino-7-phenyl-3-{[(2r,5s)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3h)-one
+c1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccncc3)F	4KH	2-fluoro-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide
+[H]/N=C(/N=C/CC[C@@H](C(=O)O)N)\N(C)OC	4KJ	(5e)-5-[(n-methoxy-n-methylcarbamimidoyl)imino]-l-norvaline
+COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccncc3	4KK	2-(3-methoxyphenyl)-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide
+c1cc2c(cc(nc2c(c1)O)C(=O)O)O	4KL	xanthuric acid
+CC(=O)N(C)c1ccc(cc1)OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F	4KM	tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate
+c1cc(ccc1OCC(=O)c2ccc(c(c2O)O)O)F	4KN	2-(4-fluorophenoxy)-1-(2,3,4-trihydroxyphenyl)ethanone
+Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O	4KO	(6r,7s)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia -1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+c1ccc(cc1)P(CCCCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5)(c6ccccc6)c7ccccc7	4KP	8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9h-purin-6-amine
+CC(C)(C)OC(=O)c1c(ccc(c1O)C(F)(F)F)COc2ccc(cc2)c3ccc(cc3)CC(=O)O	4KQ	2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O	4KR	7-aminocephalosporanic acid
+COc1ccc(cc1)O	4KS	4-methoxyphenol
+COc1ccc(cc1c2ccnc(c2)Nc3ccc(c(c3)OC)N4CCOCC4)C#N	4KT	4-methoxy-3-[2-[(3-methoxy-4-morpholin-4-yl-phenyl)amino]pyridin-4-yl]benzenecarbonitrile
+c1cc(c(cc1NCS)S(=O)(=O)O)CCc2ccc(cc2S(=O)(=O)O)NCS	4KU	2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}
+CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)(S(C)(C)O)Cl	4KV	3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O	4KX	1,5 dienoyl-coa
+CC(=O)N1C[C@@H](C[C@H]1C(=O)O)OCCCCCCC=C	4KY	(4r)-1-acetyl-4-(oct-7-en-1-yloxy)-l-proline
+B([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O	4KZ	n-[(1r)-1-(dihydroxyboranyl)-2-phenylethyl]-nalpha-(pyrazin-2-ylcarbonyl)-l-phenylalaninamide
+CCCCCCO[C@@H]1C[C@H](N(C1)C(=O)C)C(=O)O	4L0	(4r)-1-acetyl-4-(hexyloxy)-l-proline
+CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccccn6	4L1	5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1h,1'h-2,5'-bibenzimidazole
+CC1=CC(=O)N(c2c1ccc(c2)N3CCCCC3=O)C	4L2	1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1h)-one
+CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NC(=O)OC(C)(C)C)c4ccccc4)C	4L3	tert-butyl [(2r,3s)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate
+C/C(=C\c1ccc(c(c1)O)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@H]([C@@H]([C@H]4[C@@H]([C@H]3O)OCO4)O)O	4L4	hygromycin a
+CC(C)Nc1ccc2ncc(n2n1)c3ccc(c(c3)OC)C(=O)N	4L5	2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
+Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N	4L6	4-amino-8-(5-methyl-1h-indazol-6-yl)cinnoline-3-carboxamide
+c1cc2c(cc1[C@H]3CNC[C@@H]3C(=O)c4ccc(s4)Br)N=CNC2=O	4L7	7-{(3s,4r)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3h)-one
+CC(C)C[C@H](CN)C(=O)O	4L8	(2r)-2-(aminomethyl)-4-methylpentanoic acid
+C[C@@H](C(=O)N[C@H]1CC=C[C@@H](N(C1=O)C)c2ccccc2)NC(=O)Cc3cc(cc(c3)F)F	4L9	n~2~-[(3,5-difluorophenyl)acetyl]-n-[(3s,7r)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1h-azepin-3-yl]-l-alaninamide
+B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C	4LA	(r)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1h-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate
+c1ccc(c(c1)COC(=O)NCC2CCC(CC2)C(=O)O)Cl	4LB	trans-4-[({[(2-chlorobenzyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid
+Cn1c2cc(ccc2nc1c3c[nH]c4c3ccc(c4)C#N)C(=O)N5CCO[C@H]([C@@H]5CO)c6ccccc6	4LC	3-(6-{[(2s,3s)-3-(hydroxymethyl)-2-phenylmorpholin-4-yl]carbonyl}-1-methyl-1h-benzimidazol-2-yl)-1h-indole-6-carbonitrile
+Cc1c(c(n[nH]1)C2CC2)c3c4c(ccn3)[nH]c5c4cc(c(c5)c6c(noc6C)C)OC	4LD	1-(3-cyclopropyl-5-methyl-1h-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5h-pyrido[4,3-b]indole
+[C@@H](C(F)(F)F)(OC(F)F)Cl	4LE	(2r)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
+c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O	4LF	n-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide
+COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5ccn(c5c4)CC(=O)OC	4LG	methyl (6-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetate
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	4LH	n-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide
+Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NC)C(=O)NC	4LI	(4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-methyl-1,3-thiazolidine-4-carboxamide
+C(CN)CBr	4LJ	1.7.6 3-bromanylpropan-1-amine 
+COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O	4LK	3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
+CCCCNc1ccc2cccc(c2n1)O	4LL	2-(butylamino)quinolin-8-ol
+C/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	4LM	(2e)-2-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid
+Cc1ccc(c2n1nc3c2C[C@](CC3)(C)NC(=O)c4ccc(cc4)n5cnnc5)O	4LN	n-[(2r)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4h-1,2,4-triazol-4-yl)benzamide
+Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3nc4c(c[nH]n4)c(n3)Nc5ccccc5S(=O)(=O)C(C)C	4LO	n~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-n~4~-[2-(propan-2-ylsulfonyl)phenyl]-2h-pyrazolo[3,4-d]pyrimidine-4,6-diamine
+CC1(c2c(ccc(c2F)N3C=C(C(=O)C(=N3)c4ccnn4c5ccccc5)OC)N(C1=O)CC6CC6)C	4LP	1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one
+CCn1c(nnc1CCC(=O)Nc2cccc3c2cccc3)CCC4CCCCC4	4LQ	3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-n-naphthalen-1-yl-propanamide
+CC(=CCOP(=O)(O)O)C	4LR	dimethylallyl monophosphate
+Cc1cc2c(cc1C)N(C3=C(N2CC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	4LS	1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono -d-ribitol
+C[C@H](C(=O)O)F	4LT	(2r)-2-fluoropropanoic acid
+Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C	4LU	1-deoxy-5-o-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7h-quinolino[1,8-fg]pteridin-12-ium-7-y l)-d-ribitol
+C/C(=C\c1ccccc1)/C(=O)O	4LV	(2e)-2-methyl-3-phenylprop-2-enoic acid
+c1ccc(cc1)/C=C(/C(=O)O)\F	4LW	(2z)-2-fluoro-3-phenylprop-2-enoic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=S)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	4LX	n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanethioamide
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5cc(c(c(c5)F)C6=CCN(CC6)C)F	4LY	[3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}-1h-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile
+c1cc(ccc1C[C@@H](C(=O)O)N)OCCN=[N+]=N	4LZ	o-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-l-tyrosine
+Cc1ccc(c(c1)N)C(=O)O	4M0	2-azanyl-4-methyl-benzoic acid
+Cc1cc2c(cc1C)nc([nH]2)[C@@H](CNC(=O)c3c(cc(cc3Cl)n4cnnc4)Cl)c5ccccc5	4M1	2,6-dichloro-n-[(2r)-2-(5,6-dimethyl-1h-benzimidazol-2-yl)-2-phenylethyl]-4-(4h-1,2,4-triazol-4-yl)benzamide
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC/C(=C/2\[C@H]([C@@H]([C@H](O2)Oc3ccc(cc3)/C=C(\C)/C(=O)N[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5ncnc6N(C)C)CO)O)O)/OC)O)OC)OC	4M2	3'-deoxy-3'-{[(2e)-3-(4-{[(4z)-6-o-(6-deoxy-3,4-di-o-methyl-alpha-d-mannopyranosyl)-5-o-methyl-alpha-d-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-n,n-dimethyladenosine
+[H]/N=C(\c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](c2ccccc2)C(=O)O)/N	4M3	n-(4-carbamimidoylbenzoyl)-beta-alanyl-n-[(s)-carboxy(phenyl)methyl]-l-alpha-asparagine
+COc1cc(ccc1O)C=C	4M4	2-methoxy-4-vinylphenol
+CC/C=C\CC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O	4M5	(4~{z},7~{z},10~{z},13~{z},19~{z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid
+c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5	4M6	1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid
+c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O	4M7	(1r)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2h-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide
+CO[P@](=O)(CC[C@@H](C(=O)O)N)O	4M8	(2s)-2-amino-4-[(s)-hydroxy(methoxy)phosphoryl]butanoic acid
+[H]/N=C(/CCC(=O)N)\C1=N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1CC=O	4M9	(4z)-4-imino-4-[(4z)-4-(1h-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1h-imidazol-2-yl]butanamide
+Cc1ccc(cc1)C(=O)O	4MA	4-methylbenzoic acid
+CS(=O)(=O)Nc1ccc(cc1)C(=O)O	4MB	4-[(methylsulfonyl)amino]benzoic acid
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C	4MC	(z)-n-(5-guanidino-1-oxo-1-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)pentan-2-yl)-4-methylpiperazine-1-carboxamid e
+C[N@@](Cc1ccc(cc1)Cl)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N	4MD	n-(4-chlorobenzyl)-n-methylbenzene-1,4-disulfonamide
+COC(=O)c1cccc2c1cc[nH]2	4ME	methyl 1h-indole-4-carboxylate
+Cc1cccc2c1ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4MF	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methyl-1h-indole
+Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C	4MG	1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1h-indol-5-yl)amino]pyrimidin-4-yl}-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)S(=O)(=O)N	4MH	2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-n-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide
+CSc1ccc(cc1)C(=O)O	4MI	4-methylsulfanylbenzoic acid
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)C(=O)Cc5ccccc5)(C)C	4MJ	1-deoxy-5-o-phosphono-1-[(1s)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1h,7h-quinolino[1 ,8-fg]pteridin-7-yl]-d-ribitol
+Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	4MK	5-chloro-n~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-n~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine
+C[C@@]1(C=CC(=O)O1)CC(=O)O	4ML	[(2s)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
+C[N+](C)(C)[C@@H](CCSC)C(=O)O	4MM	n,n,n-trimethylmethionine
+Cc1ccc(cc1)N	4MN	4-methylaniline
+[Mo+4]	4MO	molybdenum(iv) ion
+COc1ccc(cc1)C(=O)N2CCCC2=O	4MP	1-(4-methoxybenzoyl)-2-pyrrolidinone
+CN1CCCN(CC1)c2c3ccccc3ncn2	4MQ	4-(4-methyl-1,4-diazepan-1-yl)quinazoline
+c1ccc(cc1)Oc2ccc(cc2)C3(C(=O)NC(=O)NC3=O)N4CCN(CC4)c5ncccn5	4MR	5-(4-phenoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-2,4,6(2h,3h)-trione
+CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)Cl)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O	4MS	n-({3-[(5s)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide
+c1cc(ccc1CCNC=S)O	4MT	n-[2-(4-hydroxyphenyl)ethyl]thioformamide
+CC1=CC(=O)Oc2c1ccc(c2)O	4MU	7-hydroxy-4-methyl-2h-chromen-2-one
+CC(C)CCC(=O)O	4MV	4-methyl valeric acid
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C	4MW	2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(4-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide
+CCCCCc1cc(cc(c1C(=O)O)O)O	4MX	2,4-bis(oxidanyl)-6-pentyl-benzoic acid
+[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	4MY	myo inositol 3,4,5,6 tetrakisphosphate
+Cc1c[nH]cn1	4MZ	4-methylimidazole
+Cc1c[n+](c(c(c1OC)C)CS)c2[nH]c3c(n2)ccc(n3)OC	4N1	4-methoxy-1-(5-methoxy-3h-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium
+C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	4N2	beta-l-idopyranose
+CCCCCCCC(=O)N[C@H](C(C)C)C(=O)O	4N3	n-octanoyl-d-valine
+CC(=O)c1cccc(c1)n2c(nnn2)S(=O)(=O)Cc3cccc(c3)Cl	4N5	1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1h-tetrazol-1-yl}phenyl)ethanone
+c1c(c(c2c(c1Cl)non2)[N+](=O)[O-])NCCO	4N6	2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol
+Cc1ccc(cc1)C(=O)/C=C(/c2ccccc2)\N3CCC[C@H]3C(=O)O	4N7	1-[(1z)-3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-1-yl]-l-proline
+c1cc(oc1)CNC(=S)N2CCC[C@H]2C(=O)O	4N8	1-[(furan-2-ylmethyl)carbamothioyl]-l-proline
+c1cc(ccc1CNC(=S)N2CCC[C@H]2C(=O)O)C#N	4N9	1-[(4-cyanobenzyl)carbamothioyl]-l-proline
+c1cc(ccc1c2ccc3c(c2)ccc(c3Cl)O)O	4NA	1-chloro-6-(4-hydroxyphenyl)-2-naphthol
+c1cc(ccc1C(=O)O)[N+](=O)[O-]	4NB	4-nitrobenzoic acid
+c1cc(c(cc1[N+](=O)[O-])O)O	4NC	4-nitrocatechol
+c1ccc(cc1)N(c2ccccc2)C(=O)NNC(=N)N	4ND	n4-(n,n-diphenylcarbamoyl)-aminoguanidine
+CCCC[P+](CCCC)(CCCC)CCCC	4NE	tetrabutylphosphonium
+c1cc(ccc1NC=S)[N+](=O)[O-]	4NF	n-(4-nitrophenyl)thioformamide
+C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O	4NG	[(3s,5s)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid
+CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)OCC#CCN)C(=O)NO)C	4NH	4-({4-[(4-aminobut-2-ynyl)oxy]phenyl}sulfonyl)-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
+C(CC(=O)O)C[N+](=O)[O-]	4NI	4-nitrobutanoic acid
+CN1C(=O)C(=C([C@]1(Cc2ccc(cc2)Cl)O)c3c[nH]c4c3ccc(c4)Cl)Cc5ccc(cc5)Cl	4NJ	(5s)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1h-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2h-pyrrol-2-one
+C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O	4NK	(1s)-1-carboxy-4-({(1r)-1-carboxy-2-[(s)-{4-[(2s)-2-carboxy-2-(trimethylammonio)ethyl]-1h-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium
+c1cc(ccc1N)O	4NL	4-aminophenol
+c1cc(ccc1CS)[N+](=O)O	4NM	4-nitrophenyl methanethiol
+CC(=O)NC1=C[C@@H]([C@H](OC1=O)CO)O	4NN	n-[(5s,6r)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2h-pyran-3-yl]acetamide
+c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O	4NO	4-nitro-2-phosphonobenzoic acid
+c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O	4NP	4-nitrophenyl phosphate
+c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F	4NR	5-(4-fluorophenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O	4NS	4-nitrophenyl sulfate
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N)O	4NT	[(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C[C@H]([C@@H](C1=N/C(=C\C2C=C(C(=O)C(=C2)Cl)Cl)/C(=O)N1CC(=O)O)N)O	4NU	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc(ccc1CC2=C([C@](OC2=O)(Cc3ccc(cc3)Cl)O)c4c[nH]c5c4ccc(c5)Cl)Cl	4NX	(5r)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1h-indol-3-yl)-5-hydroxyfuran-2(5h)-one
+c1cc(ccc1Cn2cc(c3c2cc(cc3)Cl)/C=C(\C#N)/c4ccc(cc4)C(=O)O)F	4NY	4-{(z)-2-[6-chloro-1-(4-fluorobenzyl)-1h-indol-3-yl]-1-cyanoethenyl}benzoic acid
+c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N	4NZ	4-nitrobenzenesulfonamide
+Cc1c(c2ccc(c(c2n1CC(=O)N3CC4(CC4)c5c3cccc5)F)Cl)Sc6cccc(c6F)C(=O)O	4O0	3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'h)-yl)ethyl]-1h-indol-3-yl}sulfanyl)-2-fluorobenzoic acid
+C[C@@H](C(=O)N1CCCN(CC1)C)N2CC[C@@H](C2=O)N(CC(=O)N)S(=O)(=O)c3ccc4cc(ccc4c3)Cl	4O1	n~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-n~2~-{(3s)-1-[(2s)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide
+c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)N(C5=O)CCC(=O)O	4O2	3-[(11as)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1h-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3h)-yl]propanoic acid
+c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)NC5=O	4O3	(11as)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1h-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2h)-dione
+CCC(=O)CN([C@H]1C=CN(C1=O)[C@@H](C)C(=O)N2CCOCC2)S(=O)(=O)c3ccc4cc(ccc4c3)Cl	4O4	6-chloro-n-{(3s)-1-[(2s)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1h-pyrrol-3-yl}-n-(2-oxobutyl)naphthalene-2-sulfonamide
+CNC(=O)c1ccc(c(c1)F)N2C=C[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl	4O5	4-[(3s)-3-({[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1h-pyrrol-1-yl]-3-fluoro-n-methylbenzamide
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(cc3)Cl	4O6	(e)-2-(4-chlorophenyl)-n-{(3s)-1-[(2s)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3-c6n2c7ccccc7c6[C@@H]8[C@H]5[C@H](NC8)O)NC)OC	4O7	(5s,6r,7r,9r,13cr,14r,16as)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5h,13ch-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)Br)F	4O8	{2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)I)F	4O9	{5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C	4OA	(3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid
+c1ccc(cc1)/N=C(\c2cccc(c2)C(F)(F)F)/NO	4OB	n-hydroxy-n'-phenyl-3-(trifluoromethyl)benzenecarboximidamide
+CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	4OC	4n,o2'-methylcytidine-5'-monophosphate
+c1cc(cc(c1)Br)/N=C(\c2ccc(c(c2)C(F)(F)F)F)/NO	4OD	n'-(3-bromophenyl)-4-fluoro-n-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
+c1cc(ccc1c2c(cn[nH]2)c3ccc(c(c3)C(F)(F)F)F)F	4OE	5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1h-pyrazole
+CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc2c(cnc(n2)Nc3ccc(c(c3)F)C4CCN(CC4)C)C(F)(F)F	4OF	n-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
+c1ccc2c(c1)c(cs2)C[C@@H](C(=O)O)N	4OG	3-(1-benzothiophen-3-yl)-l-alanine
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1[C@H]([C@H]([C@@H]2O)O)O)O	4OH	(14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol
+c1cc(cnc1)[C@@H]2C[C@H]2C(=O)Nc3c[nH]nc3	4OI	(1~{r},2~{r})-~{n}-(1~{h}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide
+Cc1ccccc1OP(=O)(O)O	4OJ	(2-methylphenyl) dihydrogen phosphate
+c1cc(c(cc1c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5)Cl)Cl	4OK	3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9h-carbazole-1-carboxamide
+C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O	4OL	n,n'-butane-1,4-diylbis[1-hydroxy-n-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide]
+CCCC[C@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)F	4ON	5-[(2s,7r)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol
+c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=N	4OO	4-triaza-1,2-dien-2-ium-1-yl-l-phenylalanine
+C[N+]1(C[C@@H](C[C@@H]1C(=O)O)O)C	4OP	(2s,4s)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium
+CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl	4OQ	2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine
+CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N[C@H]4CCN(C4)C(=O)NC(C)(C)C)Cl	4OR	(s)-n-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
+COc1ccc(cc1)S(=O)(=O)O	4OS	4-methoxybenzenesulfonic acid
+Cc1nc(c(s1)c2ccccc2F)C(=O)N3CCC[C@H]3Cc4nnc(o4)c5ccccc5	4OT	[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2s)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone
+C=CC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N	4OU	4-(acryloylamino)-l-phenylalanine
+CC1=C(N[C@H](SC1)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)[C@@H](c2ccccc2)N)C(=O)O	4OV	(2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C4CCN(CC4)C	4OW	n-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
+C(CCC(=O)CCC(=O)O)CCC(=O)O	4OX	4-oxodecanedioic acid
+COC(=O)[C@H](COC=O)NC(=O)c1cccc(c1O)O	4OZ	methyl n-(2,3-dihydroxybenzoyl)-o-formyl-l-serinate
+CC(=O)C1=CCC[C@@H]2CC[C@H]1N2	4P0	1-[(1r,6r)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
+CNC(=O)c1ccc(c(c1)c2ccc3c(c2)CCCN3C(=O)c4c(cccc4Cl)F)Cl	4P1	4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-n-methylbenzamide
+C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5CCCCCc6c(cc7ccccc7n6)O4)C8CCCC8	4P2	(3ar,7s,10s,12r,24ar)-7-cyclopentyl-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10h-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide
+CN(c1ccc(cc1OCC(F)(F)F)c2cc(ccc2Cl)C(=O)N)C(=O)c3c(cccc3Cl)F	4P3	6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide
+c1cc(cc(c1)F)c2ccc3c(cnc(c3n2)N)C(=O)NC4CN(C4)C(=O)C5CC5	4P4	8-amino-n-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide
+c1coc2c1[nH]c(c2)C(=O)O	4P5	4h-furo[3,2-b]pyrrole-5-carboxylic acid
+c1cc(cnc1)C\2=NCCC/C2=C\c3cccs3	4P6	(3e)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine
+c1cc(cnc1)C\2=NCCC/C2=C\c3cc[nH]c3	4P7	(3e)-3-(1h-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine
+c1ccc(c(c1)Cc2cc(c(c(c2)[N+](=O)[O-])O)C=O)Cl	4P8	5-(2-chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde
+c1cc(ccc1N/N=C/c2ccc(c(c2O)O)O)Cl	4P9	4-{(e)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol
+CCCOC(=O)C	4PA	propyl acetate
+C(CC(=O)NO)CP(=O)([O-])[O-]	4PB	n-hydroxy-4-phosphono-butanamide
+CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4PC	3-(2'-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3,7-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one
+CC1=CC2=CN(C(=O)NC2=N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4PD	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-1,3-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one
+Cc1cc-2cn(c(nc2n1)O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4PE	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3h-pyrrolo[2,3-d]pyrimidin-2-ol
+C[C@H](COC[C@@H](C)OCCOC)N	4PF	(2r)-1-[(2r)-2-(2-methoxyethoxy)propoxy]propan-2-amine
+[H]/N=C(/N)\Nc1ccc(cc1)CC(=O)c2ccccc2	4PG	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine
+Cc1ccc(cc1)C[C@@H](C(=O)O)N	4PH	4-methyl-l-phenylalanine
+Cc1ccc(cc1)C(=O)N2CCC(CC2)Cc3ccccc3	4PI	n-(4-methylbenzoyl)-4-benzylpiperidine
+CCCC[C@@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)c2c(cc(cc2O)C[C@@H](C)CCCC[C@@H](CCCC)F)O	4PJ	2-[(5s,10s)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2s,7r)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol
+[H]/N=C(/N)\NOCC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc1ccccc1)O)NC(=O)OCc2ccccc2	4PK	n-[(benzyloxy)carbonyl]-o-carbamimidamido-l-homoseryl-n-{(3s,4s)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]heptan-4-yl}-l-valinamide
+Cc1c(c2c(cn1)COC2=O)O	4PL	7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3h)-one
+C1CCN(CC1)C2CCNCC2	4PN	4-piperidino-piperidine
+CC(C)(C)/[N+](=C/c1cc[n+](cc1)[O-])/[O-]	4PO	alpha-(4-pyridyl-1-oxide)-n-tert-butylnitrone
+c1cc(cc(c1)[C@H](CCCNc2ccncc2)C(=O)O)c3cccc(c3)C(=N)N	4PP	(2s)-(3'-amidino-3-biphenyl)-5-(4-pyridylamino)pentanoic acid
+c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N	4PQ	5-hydroxy-l-tryptophan
+CCCC[C@@H]([C@@H](C(=O)N[C@H](C)c1ccccc1)O)NC(=O)O[C@@H]2CN(CC2(C)C)C(=O)Nc3c(noc3C)C	4PR	(3s)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl{(1s)-1-[1-hydroxy-2-oxo-2-{[(1r)-1-phenylethyl]amino}ethyl]pentyl}carbamate
+CC(C)(CO[P@](=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	4PS	4'-diphospho pantetheine
+CCC[C@@H](O)O[C@H](COC(=O)CCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	4PT	(2r)-3-{[(s)-{[(2s,3r,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-2-(1-hydroxy butoxy)propyl butyrate
+[Pu+4]	4PU	plutonium ion
+CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cc(cc4)F)F	4PV	2,8-difluoro-11-(4-methylpiperazin-1-yl)-5h-dibenzo[b,e][1,4]diazepine
+C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O	4PW	levoglucosan
+CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O	4PX	3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1h-imidazo[4,5-c][1,8]naphthyridine-2,4-dione
+c1c(cncc1OC[C@H](CC2=C3C=CCC=C3N=C2)N)C4=NCC5=NN=CC5=C4	4PY	(2s)-1-(6h-indol-3-yl)-3-{[5-(7h-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxy}propan-2-amine
+Cc1c[nH]nc1	4PZ	4-methyl-1h-pyrazole
+CC(C)Oc1cccc2c1C(=O)N(C2=O)CCC3=Nc4ccccc4C(=O)N3c5ccc(cc5)OC	4Q0	2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1h-isoindole-1,3(2h)-dione
+CC(=CCn1c2cc(ccc2c3c1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4([C@H]3O)O)C=C(C)C)OC)C	4Q1	fumitremorgen b
+C[C@@H]1CCN([C@@H]1C(=O)N)C(=O)Nc2nc3c(s2)-c4c(cnc(n4)C(C)(C)C)CC3	4Q2	(2s,3r)-n~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide
+CC(C)n1c(cc(n1)NC(=O)C)c2ccc(c(c2)N3C[C@H]4C[C@H]4C3)N(C)C(=O)c5c(cccc5Cl)F	4Q3	n-{4-[3-(acetylamino)-1-(propan-2-yl)-1h-pyrazol-5-yl]-2-[(1r,5s)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-n-methylbenzamide
+Cc1c(nc(c(n1)N2CCC3(CC2)CO[C@H]([C@H]3N)C)CO)c4cccc(c4Cl)Cl	4Q4	{3-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](c2ccccc2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC	4Q5	n-methyl-l-valyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s,2r)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+COc1ccccc1OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	4Q7	2-methoxyphenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+Cc1ccccc1OS(=O)(=O)[C@@H]2CC3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	4Q9	2-methylphenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+CC(C)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5	4QA	4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one
+CC[C@H](CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)C(=O)N[C@@H](CC(=O)O)C=O	4QB	3-{2-ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid
+CN(C)Cc1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C(=O)N)C3=O	4QC	3-[6-{2'-[(dimethylamino)methyl]biphenyl-4-yl}-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridin-1-yl]benzamide
+C[C@@H](CN)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5	4QD	8-(3-{[(2s)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
+Cc1ccccc1c2[nH]c3c(n2)c(nc(n3)N)OCC4CCCCC4	4QE	6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9h-purin-2-amine
+C[C@H]1C[C@]2(CCN1Cc3ccccc3)C(=NC(=O)N2c4cccc(c4)F)NC5CCCCC5	4QF	(5r,7s)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
+c1cc(ccc1c2ncc(o2)c3ccc(cc3)Cl)C(=O)N	4QG	4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide
+CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccc(c(c4)OC)OC	4QH	3,4-dimethoxy-n-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]benzenesulfonamide
+c1ccc2c(c1)nc(o2)NC3=N[C@H](C4=C(N3)CCCC4=O)c5c(cn[nH]5)Cl	4QI	(4r)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1h-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1h)-one
+CN1C(=O)c2c(nn(c2Nc3ccccc3)Cc4ccc(cc4)c5cccc(n5)F)N6C1=N[C@H]7[C@@H]6CCC7	4QJ	(11r,15s)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
+c1c(nnn1CCCC[C@@H](C(=O)O)N)CCN	4QK	6-[4-(2-aminoethyl)-1h-1,2,3-triazol-1-yl]-l-norleucine
+CCCCCCCC(=O)Nc1c(c(c(c(c1I)C(=O)O)I)C(=O)O)I	4QL	2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid
+CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	4QM	(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-10,13-dimethyl-17-[(2r)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N(C)C)Cl	4QO	2-chloro-n,n-dimethyl-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzamide
+CC(C)C[C@@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O	4QP	(2r)-2-{[(r)-[(r)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid
+[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)/N	4QQ	4-[(2s)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide
+C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)C)C)OC)OC(=O)N)C)C)O)OC	4QS	[(3r,5s,6r,7r,10r,11s,12e)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
+c1(c(c(c(c(c1Br)OO)Br)OO)Br)N	4QT	5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide
+c1ccc2c(c1)[nH]c(n2)N3c4ccc(cc4NC3=O)O	4QV	5-hydroxy-1'h-1,2'-bibenzimidazol-2(3h)-one
+Cn1cncc1/C=C/2\CCN=C2c3cccnc3	4QW	3-{(4e)-4-[(1-methyl-1h-imidazol-5-yl)methylidene]-3,4-dihydro-2h-pyrrol-5-yl}pyridine
+CC(C)NC(=O)n1c(nc(n1)N)Nc2ccc(cc2)Cl	4QX	3-amino-5-[(4-chlorophenyl)amino]-n-(propan-2-yl)-1h-1,2,4-triazole-1-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O	4QY	2-acetamido-2-deoxy-6-o-phosphono-beta-d-glucopyranose
+C[C@@H](c1ccccc1)NC(=O)n2c(nc(n2)N)Nc3ccc(cc3)Cl	4QZ	3-amino-5-[(4-chlorophenyl)amino]-n-[(1s)-1-phenylethyl]-1h-1,2,4-triazole-1-carboxamide
+Cc1cc(ccc1Cl)Nc2nc(nn2C(=O)NC(C)C)N	4R0	3-amino-5-[(4-chloro-3-methylphenyl)amino]-n-(propan-2-yl)-1h-1,2,4-triazole-1-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OP(=O)(O)O	4R1	2-amino-2-deoxy-6-o-phosphono-beta-d-glucopyranose
+[H]/N=C(/N)\NC/C=C/C(=O)N1c2cc(c(cc2N(C3=C1C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)C)C	4R2	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[5-[(~{e})-4-carbamimidamidobut-2-enoyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+COc1cccc(c1)c2cc(c(c(c2)F)NC(=O)Nc3cncs3)F	4R5	1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea
+[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	4R7	methyl 6-[4-[[n-[2-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCC(=O)O	4R8	(6e,10z,13z,16z,19z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NC(=O)C)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O	4RA	[(2r,3r,4r,5s,6r)-3-acetamido-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C(=O)O	4RB	4-(6-{[(1r)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid
+c1cc(nc2c1nc([nH]2)NCCCN[C@@H]3CCNc4c3cc(cc4Cl)Cl)F	4RC	n-[(4r)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-n'-(5-fluoro-3h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+c1cc(nc2c1[nH]c(n2)NCCCN[C@@H]3CCOc4c3cc(cc4Cl)Cl)F	4RD	n-[(4r)-6,8-dichloro-3,4-dihydro-2h-chromen-4-yl]-n'-(5-fluoro-1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	4RF	tripalmitoylglycerol
+c1ccc(cc1)OCc2cccc(c2)C(=O)O	4RG	3-(phenoxymethyl)benzoic acid
+C[C@H](COCCOC)N	4RH	(2~{r})-1-(2-methoxyethoxy)propan-2-amine
+CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cn4)C(=O)O)/S2)C	4RJ	6-({4-[(z)-{(2z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid
+CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cc4)c5[nH]nnn5)/S2)C	4RK	(2z,5z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1h-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one
+CC[C@H](C)[C@@H](C(=O)NC(C)(C)C)NC(=O)C[C@H]1C(=O)N([C@H](C(=O)N1)CNC(=O)[C@H](CC(=O)O)N)Cc2ccccc2	4RL	n-{[(2s,5s)-1-benzyl-5-(2-{[(2s,3s)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-l-alpha-asparagine
+CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccncc3)/S2)CCOC	4RM	(2z,5z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
+C[C@@H](CNCc1cc(cc(c1)Cl)Cl)CNc2[nH]c3cccnc3n2	4RN	(2s)-n-(3,5-dichlorobenzyl)-n'-(1h-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine
+c1cc2c(nc1)nc([nH]2)NCC(CNCc3cc(cc(c3)Cl)Cl)(F)F	4RO	n-(3,5-dichlorobenzyl)-2,2-difluoro-n'-(1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+c1cc2c(nc1)nc([nH]2)NCCCNCc3cc(cc(c3)Cl)Cl	4RP	n-(3,5-dichlorobenzyl)-n'-(1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+c1cc(nc2c1[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl)F	4RQ	n-(3,5-dichlorobenzyl)-n'-(5-fluoro-1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3	4RR	(4r)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
+CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	4RS	trehalose mono-butyrate
+CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2[C@]14CC[C@H]5[C@@]4(C5)CO)O)Cc6ccc(c(c6)Cl)F	4RT	(1r,2s,5r)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione
+c1ccc2c(c1)c(c(nn2)C(=O)N)N	4RU	4-aminocinnoline-3-carboxamide
+Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N	4RV	4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide
+C1CC[C@@H]2[C@H](C1)CSC(=N2)N	4RW	(4as,8ar)-4a,5,6,7,8,8a-hexahydro-4h-3,1-benzothiazin-2-amine
+c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@H]([C@H]3C2)SC(=N4)N	4RX	n-[(4s,4as,6s,8ar)-10-aminohexahydro-3h-4,8a-(epithiomethenoazeno)isochromen-6(1h)-yl]-3-chlorobenzamide
+c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@@]3(C2)CSC(=N4)N	4RY	n-[(4as,6s,8ar)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4h)-yl]-3-chlorobenzamide
+c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@@H]3[C@H](C2)CSC(=N3)N	4RZ	n-[(4as,6s,8ar)-2-amino-4a,5,6,7,8,8a-hexahydro-4h-3,1-benzothiazin-6-yl]-3-chlorobenzamide
+c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)COCC(COCc4cn(nn4)[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)(COCc7cn(nn7)[C@@H]8[C@@H]([C@@H]([C@H]([C@H](O8)CO)O[C@H]9[C@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)N	4S0	dendron d2-1
+CCCNc1ncc(c(n1)N[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO)c3nc4ccccc4s3	4S1	(1r,2s,3r,5r)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol
+c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)NC4CC4)N[C@@H]5C[C@@H]([C@H]([C@H]5O)O)CO	4S2	5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3h)-one
+c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)N[C@@H]5CCCNC5	4S3	5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3r)-piperidin-3-ylamino]pyrimidin-4(3h)-one
+c1cc(ccc1C(=O)NCC(=O)O)NC(=O)c2cc(c([nH]2)Br)Br	4S4	n-(4-{[(4,5-dibromo-1h-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine
+CCCCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=N)O	4S7	1-{3-[(r)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium
+CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	4S8	n~3~-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-(2-sulfanylethyl)-beta-alaninamide
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)Br)C(=O)NO	4S9	tert-butyl [(1s)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2ccccc2)C(=O)NO	4SA	tert-butyl [(1s)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate
+c1ccc(cc1)[C@@H](CCN)C(=O)N/N=C/c2ccc(c(c2)Br)O	4SB	(2r)-4-amino-n'-[(1e)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](S2)COP(=O)(O)O)O	4SC	2'-deoxy-5-methyl-4'-thiocytidine 5'-(dihydrogen phosphate)
+C(C#N)C(CC#N)O	4SD	3-hydroxypentanedinitrile
+CC(C)[C@@H](/C=C(/C)\C(=O)O)NC	4SF	(2z,4s)-2,5-dimethyl-4-(methylamino)hex-2-enoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S)O	4SG	4-thio-alpha-d-glucopyranose
+c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CN4CCOCC4)CCCC3	4SH	n-benzyl-2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CC(C)(c1ccccc1)[C@@H](C(=O)O)NC	4SJ	n,beta,beta-trimethyl-l-phenylalanine
+CC(C)[C@@H](/C=C(/C)\C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)c1ccccc1)NC	4SL	n,beta,beta-trimethyl-l-phenylalanyl-n-[(3s,4z)-5-carboxy-2-methylhex-4-en-3-yl]-n,3-dimethyl-l-valinamide
+[S-][Mo](=S)(=S)[S-]	4SM	tetrathiomolybdate
+CC(=O)OC[C@H]1[C@H](C([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C	4SN	(6s)-1,3,4,5-tetra-o-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-l-altritol
+c1cc(ccc1C(=O)O)S(=O)(=O)N	4SO	4-sulfamoylbenzoic acid
+c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N	4SP	o6-cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
+C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O	4SQ	tetraglycine phosphinate
+COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3	4SR	(4s)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
+CCOc1cc2c(cc1OCC)[C@@H](N(C(=O)C2)c3ccc(cc3OCc4[nH]nnn4)C)c5ccc(cc5)Cl	4SS	(s)-2-(2-((2h-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4h)-one
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)CCCC4)NC)OC	4ST	1,2,3,4-tetrahydrogen-staurosporine
+C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	4SU	4-thiouridine-5'-monophosphate
+c1cncc(c1C(=O)O)N	4SV	3-aminopyridine-4-carboxylic acid
+C[C@@H](CO[C@H](C)COCCOC)N	4SW	(2~{s})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
+c1cc(c(cc1S(=O)(=O)O)O)O	4SX	3,4-dihydroxybenzenesulfonic acid
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO	4SY	tert-butyl {(1s)-2-(hydroxyamino)-1-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO	4SZ	tert-butyl [(1s)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate
+CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccccc3)Nc4ccc5c(c4)ccnc5N)NC(=O)C	4T0	n-{3-[(2r)-1-{(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide
+c1cc2cc(c1)NC(=O)CCCc3ccc(cc3)[C@H](C(=O)NC2)Nc4ccc5c(c4)ccnc5N	4T1	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO	4T2	tert-butyl {(1s)-2-(hydroxyamino)-1-[3'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate
+c1csc2c1nc(nc2Nc3cc([nH]n3)C4CC4)N5CCC(CC5)N	4T3	2-(4-aminopiperidin-1-yl)-n-(5-cyclopropyl-1h-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
+CC(C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C	4T4	(s)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4s)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4h)-one
+c1cnc(nc1Nc2cc(n[nH]2)C3CC3)NCC4CCC(CC4)N	4T5	n~2~-[(trans-4-aminocyclohexyl)methyl]-n~4~-(3-cyclopropyl-1h-pyrazol-5-yl)pyrimidine-2,4-diamine
+c1cc2c(c(c1CNc3nccc(n3)Nc4cc([nH]n4)C5CC5)Cl)[nH]cn2	4T6	n~2~-[(7-chloro-1h-benzimidazol-6-yl)methyl]-n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine
+c1ccc2cc(ccc2c1)[C@H](CO)O	4T7	(1r)-1-(naphthalen-2-yl)ethane-1,2-diol
+CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@@H](CO)N)O	4T8	5'-({[(2r,3r)-3-amino-2-({2-[(n-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-hydroxybutyl]sulfonyl}amino)-5'-deoxyadenosine
+COc1ccc(cc1OC)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2	4T9	n-(3,4-dimethoxyphenyl)-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	4TA	p1-(5'-adenosyl)p4-(5'-(2'-deoxy-thymidyl))tetraphosphate
+c1cc(sc1)CCCC(=O)O	4TB	4-(2-thienyl)butyric acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)O)N	4TC	p1-(5'-adenosine)p4-(5'-uridine)-beta,gamma-methylene tetraphosphate
+C[C@H](COCC(COC[C@H](C)O)(COC[C@H](C)O)COC[C@H](C)O)O	4TD	(2s)-1-[3-[(2s)-2-oxidanylpropoxy]-2-[[(2s)-2-oxidanylpropoxy]methyl]-2-[[(2r)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol
+C[C@H]1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O	4TE	(1s,2r,3s,4r,5s)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
+CCCOC[C@@H]1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O	4TF	(1r,2s,3r,4s,5s)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC=O	4TG	dtdp-4,6-dideoxy-4-formamido-glucose
+CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)Cc5ccncc5	4TH	(s)-7-((r)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4h)-one
+[Ti+4]	4TI	titanium ion
+CC[N+]1=C(C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C)C=CC=CC=C3C(c4ccc(cc4N3CCCCCC(=O)NCCOCCOCCNC(=O)CCCc5[nH]c6c(n5)N(C(=O)N(C6=O)C)C)S(=O)(=O)O)(C)C	4TJ	2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2h-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3h-indolium-5-sulfonate
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO	4TK	n-[(1r)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO	4TL	n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO	4TM	n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide
+CCOc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C	4TN	(2e)-3-[3-(3-ethoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-4-hydroxyphenyl]acrylic acid
+c1cc(cc(c1)C(F)(F)F)c2ccc3c(n2)N([C@H]4CC[N@@]3C4)C(=O)Nc5cccc(c5)c6cnco6	4TO	(4s)-n-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2h)-carboxamide
+C([C@H]([C@@H](C(=O)O)N)O)OP(=O)(O)O	4TP	4-hydroxy-l-threonine-5-monophosphate
+C[C@H]1CN(c2ccc(nc2N1C(=O)Nc3cccc(c3)c4cnco4)c5cccc(c5)C(F)(F)F)C	4TQ	(3s)-1,3-dimethyl-n-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1h)-carboxamide
+c1cc(ccc1C#N)N(Cc2ccc(c(c2)Br)OS(=O)(=O)N)n3cnnc3	4TR	2-bromo-4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate
+c1ccc2c(c1)c3c([nH]2)-c4c(cn[nH]4)CCC3	4TT	4,5,6,11-tetrahydro-1h-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole
+c1cc2c(cc1Cl)CCN2C(=O)N	4TU	5-chloranyl-2,3-dihydroindole-1-carboxamide
+Cn1cc(cn1)c2ccc(cc2)c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl	4TV	8-{3-chloro-5-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one
+CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2cc(cs2)c3ccnc(c3)F	4TW	n-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide
+Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C	4TX	5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
+CC(C)(C)OC(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO	4TY	tert-butyl [(1r)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
+c1cc(ccc1CN(c2ccc(cc2)C#N)n3cnnc3)OS(=O)(=O)N	4TZ	4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)O)O)O)O	4U0	(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal  actopyranosyl-(1->4)-beta-d-glucopyranose
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O	4U1	(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal  actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O	4U2	(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->3)-beta-d-gal  actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Cl)COP(=O)(O)O)O	4U3	5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate)
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO	4U5	n-{(1r)-2-(hydroxyamino)-1-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO	4U6	n-{(1r)-2-(hydroxyamino)-1-[3'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide
+[B-](CCCC[C@@](C(F)F)(C(=O)O)N)(O)(O)O	4U7	[(5s)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-)
+CC(C)Oc1ccc(cc1)n2c3ccc(cc3cc2C(=O)O)c4ccc(cc4)C(C)(C)C	4U8	5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1h-indole-2-carboxylic acid
+c1cc(c(c(c1)Cl)c2[nH]c(c(n2)Br)c3ccc(nc3)C#Cc4ccc(cc4)C(F)(F)F)F	4U9	5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1h-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine
+Cc1ccc(cc1)CNC(=O)N2CCC(CC2)(CNS(=O)(=O)c3cc(ccc3OC)C)c4ccccc4	4UA	4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-n-(p-tolylmethyl)piperidine-1-carboxamide
+c1ccc(cc1)c2cnc3n2cc(nc3)c4c[nH]nc4	4UB	3-phenyl-6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine
+CCOc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)Nc4ccc(cc4)S(=O)(=O)NC(=O)C	4UC	n-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
+C1C=NO[C@@H]1[C@@H](C(=O)O)N	4UD	(2s)-amino[(5s)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
+CCOC(=O)c1cc2cc(ccc2[nH]1)c3cncn3C	4UE	ethyl 5-(1-methyl-1h-imidazol-5-yl)-1h-indole-2-carboxylate
+CCOC(=O)c1cc2cc(ccc2[nH]1)c3cc(nn3C)C(=O)NCc4ccc(cc4)C(=O)O	4UF	4-{[({5-[2-(ethoxycarbonyl)-1h-indol-5-yl]-1-methyl-1h-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid
+C1C[C@H](C(=O)NC1)C[C@@H]([C@H](C#N)O)N	4UG	(2~{r},3~{s})-3-azanyl-2-oxidanyl-4-[(3~{s})-2-oxidanylidenepiperidin-3-yl]butanenitrile
+C[C@H]1/C=C/C/C=C/CCCCCCCCC[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O	4UH	(1r,3s,5r,6r,9r,11r,15s,16r,17r,18s,19e,22e,33s,35s,36r,37s)-33-[(3-amino-3,6-dideoxy-beta-d-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,22-diene-36-carboxylic acid
+c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl	4UJ	2-chloro-n-(4-phenyl-1,3-thiazol-2-yl)benzamide
+CC(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]cc(n2)c3ccc(cc3)Cl)C(F)F	4UK	n-[4-(4-chlorophenyl)-1h-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide
+Cc1c(nc([nH]1)NC(=O)c2cc(cnc2C(F)F)CNC(=O)C(C)C)c3ccc(cc3)C(F)(F)F	4UL	2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-n-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-2-yl}pyridine-3-carboxamide
+CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)N	4UM	ethyl 5-carbamoyl-1h-indole-2-carboxylate
+Cc1nc(no1)C(Cc2ccccc2)(Cc3ccc(cc3)NS(=O)(=O)O)c4nc(on4)C	4UN	{4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O	4UO	2,3-dihydroxanthosine
+[H]/N=C(/c1ccc2cc(ccc2c1)[C@H]3[C@@H](O3)c4ccccc4)\N	4UP	6-[(2s,3s)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide
+CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]2CCCN(C2)c3ccc(c(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)C(=O)N	4UQ	6-{(3r)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N	4UR	3'2'-cgamp
+CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5Cl	4US	4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9h-carbazole-1-carboxamide
+CCN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4ccc(cc4n[nH]3)c5cccc(c5)OC	4UT	4-(4-ethylpiperazin-1-yl)-n-[6-(3-methoxyphenyl)-2h-indazol-3-yl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CCC(=O)C=C4)O)O)N	4UU	5'-o-[(r)-hydroxy{[(2e)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CC(=O)C(=O)C=C4)O)O)N	4UV	5'-o-[(r)-{[(2e)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine
+COC1=CC(=CCC1=O)/C=C/C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	4UW	5'-o-[(r)-hydroxy{[(2e)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)N	4UX	(3r,3as,4r,6ar)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)OC	4UY	(3r,3as,4r,6ar)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1ccc(cc1)COC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O	4UZ	2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-d-glucopyranose
+C1C=C(C=CN=C1)C[C@@H](C(=O)O)N	4V0	3-(3h-azepin-5-yl)-l-alanine
+Cc1cc(cc(c1O)C)C2=Nc3c(c4c(s3)CN(CC4)C)C(=O)N2	4V1	2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3h)-one
+c1cc(cc(c1)O)c2nnc(o2)S	4V2	3-(5-mercapto-1,3,4-oxadiazol-2-yl)-phenol
+c1ccc2c(c1)C=C(S2(=O)=O)COC(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O)CO)O)O	4V3	2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-d-glucopyranose
+Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC	4V4	n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)-n1,n2-dimethylethane-1,2-diamine
+c1cc(ccc1CCC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)O	4V5	2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-d-glucopyranose
+C[C@@H]1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C	4V6	(3r)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+c1c(cnc2c1c(c([nH]2)CO)c3ncc(c(n3)N[C@H]4CCC[C@H](C4)NC(=O)N5CCCC5)F)F	4V7	n-[(1r,3s)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide
+c1ccc(cc1)CN2C=CC(=CC2=O)N3CCc4c(c([nH]n4)c5ccncc5)C3	4V8	1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1h)-one
+c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2	4V9	3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine
+CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)N	4VA	(2s)-4-amino-n-[(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium
+c1cnccc1c2c3c(n[nH]2)CCN(C3)C4=CC(=O)NC=C4	4VB	4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1h)-one
+c1ccc(c(c1)NC(=O)NCc2cccnc2)Cl	4VC	1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea
+Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F	4VD	n-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
+Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)[C@H](C)Nc4nc5cc(ccc5o4)F	4VE	n-(5-{(1s)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
+c1cc(cc(c1)Cl)[C@@H](CO)N2CCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5	4VF	2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2h)-one
+c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5	4VG	2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepin-1-one
+c1ccc(cc1)OCC(=O)N[C@@H](Cc2cn(nn2)CCNC(=O)c3ccc(cc3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)NCCO	4VH	n-[2-[4-[(2s)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide
+[H]/N=C(/C/C=C/N/C(=N\[H])/N)\C(=O)O	4VI	(2z,4e)-5-carbamimidamido-2-iminopent-4-enoic acid
+c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)N[C@H]5CC[C@H](C5)O	4VJ	2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1s,3r)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepin-1-one
+c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)c3cccc(c3)CO	4VK	n-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide
+c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)F	4VL	1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid
+c1cc2cc(ccc2nc1)CNC(=O)C3CCN(CC3)c4ccc(cn4)c5cc(ccc5F)CO	4VM	1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-n-(quinolin-6-ylmethyl)piperidine-4-carboxamide
+c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)Cl	4VN	1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid
+C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@H]2c7ccccc7)OC	4VO	(2s,3s,3ar,5ar,6r,11br,11cs)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1h-6,11b-(epiminoethano)-3,5a-m ethanonaphtho[2,1-g]indol-10-ol
+C=Cc1ccc(cc1)O	4VP	4-ethenylphenol
+Cc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N	4VQ	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid
+CCCC1=CC(=O)n2c(nc(n2)NCc3ccc(cc3)Br)N1	4VR	2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4h)-one
+CCC1=CC(=O)n2c(c(c(n2)C)C#N)N1	4VS	5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1ccc(cc1)CC2=CC(=O)n3c(c(cn3)C#N)N2	4VT	5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1cc(cnc1)[C@H]2CC3CCN2CC3	4VU	(2r)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane
+C1N(/C(=C/NO)/N=C1)CCCCCCCN2/C(=C/NO)/N=CC2	4VV	(z,z)-[heptane-1,7-diylbis(1h-imidazol-1-yl-2-ylidene)]bis(n-hydroxymethanamine)
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccc(cc3)N	4VW	5-[(2s)-2-[[(4-aminophenyl)carbonylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid
+CN(CCO)c1ccc(cn1)Br	4VY	2-[(5-bromo-2-pyridyl)-methyl-amino]ethanol
+CCOc1cc(ccc1O)/C=C\2/C(=O)NC(=S)S2	4VZ	(5~{z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+CC1=C(Nc2cccc(c2C1=O)F)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F	4W0	5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1h)-one
+c1ccc2c(c1)c(cs2)CO	4W1	1-benzothiophen-3-ylmethanol
+CCCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3F)Cl)C#N)N1	4W4	5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CCOC(=O)c1ccc2c(c1)c[nH]n2	4W5	ethyl 2h-indazole-5-carboxylate
+CCCC1=CC(=O)n2c(c(c(n2)CC(=O)N3CCCC3)C#N)N1	4W6	7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)c3cc4c([nH]3)cccc4OC)C(=O)N[C@@H](C[C@@H]5CCNC5=O)[C@@H](c6nc7ccccc7s6)O)C	4W8	(1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1h-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+CC[C@@H]1C[C@@]2(C=C([C@@H](C[C@@]23C(=C(C(=O)[C@@]4([C@@H](CC[C@H]5[C@H]4CCC[C@@H]5O)C[C@H]1O)C)C(=O)N3)O)C)C)C	4W9	(4s,4as,6as,8r,9r,10ar,13r,14as,18ar,18br)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1h-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15h,17h)-dione
+c1cc(ccc1N)N=Nc2ccc(cc2)S(=O)(=O)N	4WA	4-[(e)-(4-aminophenyl)diazenyl]benzenesulfonamide
+C1CCC(CC1)C[C@@H](C(=O)O)O	4WC	(s)-cyclohexyl lactic acid
+COc1ccc(cc1C#C)/C=C\2/C(=O)NC(=S)S2	4WD	(5~{z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)NCCN4CCCCC4)F	4WE	4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)-n-[2-(piperidin-1-yl)ethyl]benzamide
+c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O	4WF	5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione
+CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O	4WG	2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+Cc1cc(c(cc1OC)OC)n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C(C)(C)C)C	4WH	4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1h-1,2,3-triazole
+[H]/N=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F	4WI	(1r,2s,5s)-n-{(1e,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-(trifluoroacetyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
+c1c(cn(n1)C2CC[NH2+]CC2)Br	4WJ	4-(4-bromo-1h-pyrazol-1-yl)piperidinium
+C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)[NH3+]	4WK	(2s)-1-{[(2s)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium
+c1csc2c1[nH]c(c2)C(=O)O	4WL	4h-thieno[3,2-b]pyrole-5-carboxylic acid
+CC(C)(C)O[C@@H](N[C@H](CCC(O)O)C[Se][C@H]1CCCC=C1)O	4WM	(4r)-4-{[(s)-tert-butoxy(hydroxy)methyl]amino}-5-[(1s)-cyclohex-2-en-1-ylselanyl]pentane-1,1-diol
+Cn1ccnc1CCN2CCc3cccc(c3C2)N	4WN	2-[2-(1-methyl-1h-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+COC(=O)CCN1CCc2cccc(c2C1)N	4WO	methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1h)-yl)propanoate
+COC(=O)CCN1CCc2ccccc2C1	4WP	methyl 3-(3,4-dihydroisoquinolin-2(1h)-yl)propanoate
+CC(C)(C)CCCC[C@@H](C(=O)O)N	4WQ	(2s)-2-amino-7,7-dimethyloctanoic acid
+C1=C(C(=O)NC(=O)N1C[C@@H](CN)N)F	4WR	1-[(2r)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1h,3h)-dione
+CC(=O)NC[C@@H]1[C@H]([C@@H]([C@@H]2N1CC[C@@H]2O)O)O	4WS	n-{[(1r,2r,3r,7s,7ar)-1,2,7-trihydroxyhexahydro-1h-pyrrolizin-3-yl]methyl}acetamide
+CC1(CNCc2c1cccc2)C	4WT	4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
+c1cc2c(c(c1)N)CNCC2	4WU	1,2,3,4-tetrahydroisoquinolin-8-amine
+C1OC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	4WV	bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(oxydimethanethiolate-1kappas:2kappas)diiron(2+)
+C1C[S]2[Fe]3(C(=O)[Fe]2([S]3C1)(C#N)C#[O+])(C#N)C#[O+]	4WW	bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~s~1~,s~3~:2kappa~2~s~1~,s~3~] diiron(2+)
+C1SC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	4WX	bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappas:2kappas)diiron(2+)
+C(C(=O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O	4WY	{[(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
+C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	4WZ	{[(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid)
+c1ccc2c(c1)CCN(C2)CCCN	4X1	3-(3,4-dihydroisoquinolin-2(1h)-yl)propan-1-amine
+c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=CNC2=O	4X2	(2-{[(2s)-1-hydroxy-3-(6-oxo-1,6-dihydro-9h-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid
+CCN1CCc2c(cccc2N)C1	4X3	2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine
+COc1ccc2c([nH]1)c(c3n2cc4c3nccc4)CCNC(=O)c5ccco5	4X4	n-[2-(2-methoxy-1h-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide
+CN1CCc2c(cccc2N)C1	4X6	2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
+c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=C(NC2=O)N	4X7	(2-{[(2s)-1-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid
+Cc1c(ccnc1CN2CCc3cccc(c3C2)N)N	4X8	2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+Cc1c(c(c(c(n1)C)Cl)O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F	4X9	3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol
+Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)N/N=C/c4ccco4	4XA	3-(5,6-dimethyl-2h-isoindol-2-yl)-n'-[(e)-furan-2-ylmethylidene]benzohydrazide
+Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC	4XB	3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate
+CNC(=O)CCN1CCc2cccc(c2C1)N	4XC	3-(8-amino-3,4-dihydroisoquinolin-2(1h)-yl)-n-methylpropanamide
+COCCN1CCc2cccc(c2C1)N	4XD	2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
+C1CCN(CC1)C(=O)CN2CC[NH2+]CC2	4XE	4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium
+C[C@@H](C(=O)Nc1cccc(n1)N)[NH3+]	4XF	(2s)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium
+CN(C)CCCN1CCc2cccc(c2C1)N	4XG	2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+c1cc2c(cccn2)c(c1)Br	4XH	5-bromoquinoline
+COCC(COC)N1CCc2cccc(c2C1)N	4XJ	2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine
+c1cc2c(c(c1)N)CCN(C2)CCCOC3CCOCC3	4XK	2-[3-(tetrahydro-2h-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
+c1cc2c(c(c1)N)CN(CC2)CCCN3CCOCC3	4XL	2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+c1cc2c(c(c1)N)CN(CC2)CCCOC3CCOCC3	4XM	2-[3-(tetrahydro-2h-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+Cn1c2ccc(cc2cn1)c3ccc(cc3)C4=NC5(CC5)C(=O)N4C[C@@H]6CCN(C6)C(=O)C7CC7	4XN	6-{[(3r)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1h-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
+Cc1cc2cc(cn2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N	4XO	6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile
+Cn1cc(nn1)CCCc2cn(nn2)C	4XP	4,4'-propane-1,3-diylbis(1-methyl-1h-1,2,3-triazole)
+CCCn1cc(nn1)CCCCCc2cn(nn2)CCC	4XQ	4,4'-pentane-1,5-diylbis(1-propyl-1h-1,2,3-triazole)
+C1C=C(O[C@@H]([C@@H]1N)O)CN	4XR	(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-ol
+Cc1c(nc(nc1Cl)C2CC2)Cl	4XS	4,6-dichloro-2-cyclopropyl-5-methylpyrimidine
+Cc1c(nc(nc1Cl)OCCCc2ccc3ccccc3n2)NCc4c(nc(s4)C)C	4XU	6-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine
+Cc1c(nc(nc1Cl)C2CC2)N	4XV	6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
+C[C@H]1CC=CC([C@H]1CC[C@H](C)CCC[C@@H](C)CC(=O)O)(C)C	4XW	(5s,6s,9r,13r)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid
+CC1=C(C(=O)CO1)O	4XX	4-hydroxy-5-methylfuran-3(2h)-one
+CCCNc1c(c(nc(n1)C2CC2)Cl)C	4XY	6-chloro-2-cyclopropyl-5-methyl-n-propylpyrimidin-4-amine
+COc1ccc(cc1OC)C(=O)Nc2cc([nH]n2)c3ccccc3	4Y0	3,4-dimethoxy-n-(5-phenyl-1h-pyrazol-3-yl)benzamide
+Cc1c(nc(nc1Cl)OCCc2ccccn2)NCc3c(nc(s3)C)C	4Y1	6-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine
+Cc1c(nc(nc1Cl)C2CC2)NCc3c(nc(s3)C)C	4Y2	6-chloro-2-cyclopropyl-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine
+C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F	4Y3	[[(2s,5r)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CCCNC[C@H](COc1ccccc1C(=O)CCc2ccccc2)O	4Y4	1-[2-[(2r)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one
+c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)c4ccc(cc4F)C(=O)O)F)C(F)(F)F	4Y5	4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1h-indazol-3-yl}-3-fluorobenzoic acid
+C[C@@]1(CCC(=CC1)c2c3c(cccc3F)n(n2)C(=O)c4c(cccc4Cl)C(F)(F)F)C(=O)O	4Y6	(1s)-4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1h-indazol-3-yl}-1-methylcyclohex-3-ene-1-carboxylic acid
+c1cc(c(c(c1)Cl)C(=O)n2c3cccnc3c(n2)c4cc(c(cc4F)C(=O)O)O)C(F)(F)F	4Y7	4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1h-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid
+CC(=O)CO	4Y8	1-hydroxypropan-2-one
+CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O	4YA	hexyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside
+c1ccc(c(c1)C(=O)CCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(=O)O	4YB	5'-o-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine
+C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CC(c3c2cc(cc3)Cl)(C)C	4YC	(2r)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1h-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium
+C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCCC2	4YD	(2r)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium
+C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cccc3	4YE	(2r)-4-[2-(2,3-dihydro-1h-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium
+C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cc(nc3)Cl	4YF	(2r)-4-[2-(6-chloro-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium
+CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C2(C)C)NS(=O)(=O)C	4YG	(1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[n-(methanesulfonyl)-l-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+CC(C)[C@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC	4YH	(2s)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
+COc1cc(ccc1NC(=O)c2ccccc2Cl)/N=N/c3ccccn3	4YI	2-chloranyl-~{n}-[2-methoxy-4-[(~{e})-pyridin-2-yldiazenyl]phenyl]benzamide
+COc1ccc-2c(c1)NC(=O)c3c2c4ccccc4s3	4YK	3-methoxy[1]benzothieno[2,3-c]quinolin-6(5h)-one
+C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cl)(C)C	4YL	(2r,5r)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium
+CCOC(=O)c1cnc2c(c1[N@]3CCO[C@@H](C3)CN)c(n[nH]2)c4cccc(c4)C#N	4YM	ethyl 4-[(2r)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxylate
+C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cc4ccccc4)(C)C	4YN	(2r,5r)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium
+c1cc2c(cc1Br)NCC(=O)N2	4YO	6-bromo-3,4-dihydroquinoxalin-2(1h)-one
+CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CCC=C(C)C	4YP	2-amino-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
+C1CC1c2c(sc(n2)OCCO)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O	4YQ	4-cyclopropyl-2-(2-hydroxyethyloxy)-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide
+c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N[C@@H]4CCN(C4)CC5CC5)F	4YR	n-[(3r)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-[(2,4-dioxo-3,4-dihydroquinazolin-1(2h)-yl)methyl]-2-fluorobenzamide
+c1ccc2c(c1)C=CNC2=O	4YS	isoquinolin-1(2h)-one
+CCc1nnc2n1c3cc(ccc3c(c2)C)OC	4YT	1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline
+Cc1c(c2cc(ccc2n1C)OC)C(=O)NCC=CC(=O)OC	4YU	methyl (2e)-4-{[(5-methoxy-1,2-dimethyl-1h-indol-3-yl)carbonyl]amino}but-2-enoate
+COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)ncn4C5CCCC5	4YV	1-cyclopentyl-n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1h-imidazo[4,5-c]pyridin-6-amine
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)S(=O)(=O)C	4YW	2-methyl-n-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)(CCN)OC	4YX	n-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O	4YY	n-[(1-fluorocyclopropyl)carbonyl]-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+c1cc(ccc1SCCC(=O)O)Cl	4YZ	3-[(4-chlorophenyl)sulfanyl]propanoic acid
+c1cc(sc1)C(=O)OC=CC(=O)C(=O)O	4Z0	(3e)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid
+c1cc(c(cc1Cl)Cl)NNC(=O)C(=O)O	4Z1	[2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid
+c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3ccnc(c3)NC4CCC4)O	4Z2	2-(cyclobutylamino)-n-[(2s)-3-(3,4-dihydroisoquinolin-2(1h)-yl)-2-hydroxypropyl]pyridine-4-carboxamide
+c1ccc(c(c1)NC(=O)C=NO)Br	4Z3	(2e)-n-(2-bromophenyl)-2-(hydroxyimino)acetamide
+c1c(c(cc(c1F)Cl)Cl)C(=O)O	4Z4	2,4-dichloro-5-fluorobenzoic acid
+Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	4Z5	1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)C(=O)N	4Z8	2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)O	4Z9	(2r)-2-hydroxy-3-(1h-indol-3-yl)propanoic acid
+c1csc2c1cc([nH]2)C(=O)O	4ZA	6h-thieno[2,3-b]pyrrole-5-carboxylic acid
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@](C4)(C)C(=O)N	4ZB	(3r)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide
+c1cc(c(cc1Cl)C#N)O	4ZC	5-chloro-2-hydroxybenzonitrile
+c1ccc(cc1)SC=CC(=O)O	4ZD	(2e)-3-(phenylsulfanyl)prop-2-enoic acid
+Cc1cc(ccc1O)N	4ZE	4-amino-2-methylphenol
+c1ccc2c(c1)/C(=C\3/C=C(NN3)C(=O)O)/C=N2	4ZF	(5e)-5-(3h-indol-3-ylidene)-2,5-dihydro-1h-pyrazole-3-carboxylic acid
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)S(=O)(=O)C	4ZG	n~2~-[2-methyl-2-(methylsulfonyl)propyl]-n~4~-[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)OCC(C)(C)S(=O)(=O)C	4ZH	2-methyl-n-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC	4ZJ	n-[2-[(3r,4s)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
+c1c(cc(c(c1c2cc(cnc2)O)Cl)Cl)C[C@@H](C(=O)O)N	4ZK	3,4-dichloro-5-(5-hydroxypyridin-3-yl)-l-phenylalanine
+CCOC(=O)CNC(=O)NCc1ccccc1	4ZL	ethyl n-(benzylcarbamoyl)glycinate
+CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2	4ZM	ethyl n-{[3-(pyridin-4-yl)benzyl]carbamoyl}glycinate
+CC(C)C[C@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O	4ZN	(2s)-2-{[(r)-[(r)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid
+CCOC(=O)CNC(=O)NCc1ccc(cc1)NC(=O)C	4ZO	ethyl n-{[4-(acetylamino)benzyl]carbamoyl}glycinate
+CCOC(=O)CNC(=O)NCc1cccc(c1)c2cccnc2	4ZP	ethyl n-{[3-(pyridin-3-yl)benzyl]carbamoyl}glycinate
+C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC)O	4ZQ	(1r)-1-{6-({2-[(3r,4s)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2s)-1,1,1-trifluoropropan-2-yl]-1h-imidazo[4,5-c]pyridin-2-yl}ethanol
+C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@H]([C@H](C4)F)OC)O	4ZR	(1r)-1-{6-({2-[(3s,4r)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2s)-1,1,1-trifluoropropan-2-yl]-1h-imidazo[4,5-c]pyridin-2-yl}ethanol
+Cc1cn2c(cc1CN(C)C)nc(c2c3ccnc(n3)NCC4CC4)c5ccc(c(c5)NS(=O)(=O)C)F	4ZS	n-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide
+CCOC(=O)[C@H](CCSC)NC(=O)NCc1ccc(cc1)N	4ZT	ethyl n-[(4-aminobenzyl)carbamoyl]-l-methioninate
+c1cc(cc2c1cc([nH]2)C(=O)O)Br	4ZU	6-bromanyl-1h-indole-2-carboxylic acid
+c1cc2c(cc[nH]2)cc1C(=O)O	4ZV	1h-indole-5-carboxylic acid
+c1cc2c(cc1C(=O)NC3CCNCC3)CC(=O)N2	4ZW	2-oxidanylidene-n-piperidin-4-yl-1,3-dihydroindole-5-carboxamide
+c1ccc(cc1)CNC2CCN(CC2)S(=O)(=O)N3[C@@H]4CC[C@H]3CC(C4)NC(=O)c5cc6c(cc5Cl)NC(=O)C6	4ZX	6-chloranyl-2-oxidanylidene-n-[(1s,5r)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide
+c1cc(ccc1CN)N	4ZY	4-(aminomethyl)aniline
+CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2N	4ZZ	ethyl n-{[3-(3-aminopyridin-4-yl)benzyl]carbamoyl}glycinate
+CCCCNc1cc(nc2n1nc(n2)Nc3cc(ccc3C)Cl)C	501	n7-butyl-n2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
+CCOC(=O)CNC(=O)NCc1ccnc(c1)N	502	ethyl n-{[(2-aminopyridin-4-yl)methyl]carbamoyl}glycinate
+COc1c(c2cc(ccc2[nH]1)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)c4ccccc4	503	[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{h}-indole-3-carboxylate
+c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5	504	2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-n-[4-(1h-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
+Cc1cccc(c1OC[C@@H](C)N)C	505	(2r)-1-(2,6-dimethylphenoxy)propan-2-amine
+c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N	506	(2e)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile
+CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NC4CCOCC4	507	1-{3-[6-(tetrahydro-2h-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone
+c1ccc(cc1)[C@@H]2CCN([C@@H](C2)c3ccccc3)C(=O)[C@@H]4CNC[C@]45CCCc6c5cccc6	508	(1r,4's)-3,4-dihydro-2h-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2s,4r)-2,4-diphenylpiperidin-1-yl]methanone
+c1ccc(cc1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br	509	4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-carboxylic acid
+C([C@@H]1[C@H]([C@H]([C@H](O1)O)F)O)OP(=O)(O)O	50A	2-deoxy-2-fluoro-5-o-phosphono-alpha-d-ribofuranose
+COc1ccc2c(c1OC)c[n+]3c(c2CCCC(c4ccccc4)c5ccccc5)-c6cc7c(cc6CC3)OCO7	50B	13-diphenylalkyl berberine
+Cc1c(n[nH]c1N)c2ccc(cc2)F	50C	3-(4-fluorophenyl)-4-methyl-1h-pyrazol-5-amine
+c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5	50D	2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile
+CC(C)n1c(cc(n1)Nc2cc(ccn2)C(F)(F)F)C3CCNCC3	50E	n-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
+c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	50F	2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile
+c1c(nnn1[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)CO)COCC(COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)(COCc5cn(nn5)[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)N	50G	dendron-d1
+COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)N	50H	3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzamide
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N4CCCCCC4)N	50I	3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-ncarbamimidoyl-pyrazine-2-carboxamide
+CNC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(c(c5)OC)OC	50J	3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}-n-[4-(methylcarbamoyl)phenyl]benzamide
+[H]/N=C(/c1ccc2c(c1)cc([nH]2)c3cccc(n3)C4(CCCCC4)O)\N	50K	2-[6-(1-hydroxycyclohexyl)pyridin-2-yl]-1h-indole-5-carboximidamide
+C1=C[N]2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=NC2=O)N	50L	[(2r,3s,4r,5r)-5-(4-azanyl-2-oxidanylidene-1$l^{4},3,5,7-tetrazabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H]1CN2c3ccc(cc3C[C@]4([C@H]2[C@@H](O1)C)C(=O)NC(=O)N=C4O)[N+](=O)[O-]	50M	(2r,4s,4as,5r)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'h)-dione
+c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	50N	(1s)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-o-phosphono-d-ribitol
+CNc1c2c(c3cc(n(c3n1)C[C@@H](CO)O)C(=O)N(C4CC4)C5CC5)n(cn2)C	50O	n,n-dicyclopropyl-6-[(2s)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
+CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3ccccc3	50P	7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl	50Q	5-(3,4-dichloro-phenoxy)-benzene-1,3-diol
+CNC(=O)c1cc2c(cncc2s1)Oc3ccc(cc3)I	50R	4-(4-iodophenoxy)-n-methylthieno[2,3-c]pyridine-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N	50T	adenosine-5'-phosphovanadate
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3)\N	50U	(s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide
+CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6	50V	n,n-dicyclopropyl-4-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
+CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6	50W	n,n-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
+c1ccc2c(c1)nc(n2Cc3ccc(s3)CNC(=O)[C@@H]([C@H](C(=O)N4CCC[C@@H]4c5cccc(c5)Cl)O)O)C(F)(F)F	50X	(2r,3r)-4-[(2r)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-n-[(5-{[2-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide
+CCn1c(cc2c1nc(c3c2n(cn3)C)NCCCOC)C(=O)N(C4CC4)C5CC5	50Y	n,n-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
+C=CCNc1nc(c(s1)C(=O)c2ccccn2)N	50Z	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone
+COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)OS(=O)(=O)N	510	methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox  ylate
+COc1ccc2c(c1)c(cn2C(=O)c3ccc(cc3)Cl)CC(=O)O	511	[1-(4-chlorobenzoyl)-5-methoxy-1h-indol-3-yl]acetic acid
+c1c(c(c(s1)C(=O)O)OCC(=O)O)Br	512	4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
+c1cc2c(cc1Br)c(cs2)CN	513	1-(5-bromo-1-benzothiophen-3-yl)methanamine
+CC(=O)[N+]1=CC\2=C(C1)N=N/C2=N/C(=O)c3ccccc3	514	(3z)-5-acetyl-3-(benzoylimino)-3,6-dihydropyrrolo[3,4-c]pyrazol-5-ium
+CC(=O)N[C@@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)C(=O)NCCCCCOc4cc5ccccc5cc4C(=O)O	515	3-({5-[(n-acetyl-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-1-naphthyl}-l-alanyl)amino]pentyl}oxy)-2-naphthoic acid
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc(cs3)c4cccc5c4cccc5)NC	516	n-{(1s)-1-cyclohexyl-2-[(2s)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-n~2~-methyl-l-alaninamide
+CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)NC(=O)N	517	1-{2-oxo-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-5-yl}urea
+CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)NC(=O)c4cc5ccccc5o4	518	n-[4-(5-{[(1s)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
+CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C(C)C	519	1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea
+c1ccc(cc1)C(=O)Nc2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F	51A	n-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide
+CNc1ncc(cn1)CN2CCC[C@@H](C2)C3=NC(=O)C=C(N3)c4cccs4	51B	2-[(3s)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4(1h)-one
+CCCCCCCO[C@H]1CO[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO	51C	(6r)-1,6-anhydro-2-o-heptyl-6-(hydroxymethyl)-d-galactitol
+c1cnn(c1)c2cc(ncn2)c3cc(cc(c3F)Cl)C#N	51D	3-chloro-4-fluoro-5-[6-(1h-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile
+c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N	51E	3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile
+Cc1nccn1CCO	51F	2-(2-methyl-1h-imidazol-1-yl)ethanol
+C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC	51G	gentamicin c1
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O[C@H]5[C@@H](C[C@@H]([C@H]([C@@H]5O)O[C@@H]6[C@@H](C[C@@H]([C@H](O6)CN)O)N)N)N)CO)O)N)O)O)N	51H	adenylyl-2"-tobramycin
+CC#CCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N	51J	2-(but-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)CCc3nnco3	51K	2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole
+Cc1cc(c(c(c1C)S(=O)(=O)Nc2ccc(c3c2cccc3)N4CC[C@@H](C4)C(=O)O)C)C	51M	(3s)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)OP(=O)(O)O	51N	5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-1-o-phosphono-alpha-d-ribofuranose
+Cn1c2c([n+](c1[Au+]c3n(c4c([n+]3C)N(C(=O)N(C4=O)C)C)C)C)N(C(=O)N(C2=O)C)C	51O	au(caffein-2-ylidene)2
+C/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	51P	5-[(1z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+C[C@@H](C(=O)O)SC1=NN=C(NC1=O)O	51Q	(2s)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid
+c1cc(cc(c1)N)C(F)(F)F	51R	3-(trifluoromethyl)aniline
+Cc1ccc(c(c1)C)N	51S	2,4-dimethylaniline
+c1c(c(c(c(c1F)C[C@@H](C(=O)O)N)F)F)O	51T	2,3,6-trifluoro-l-tyrosine
+Cc1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	51U	d-phenylalanyl-n-(3-methylbenzyl)-l-prolinamide
+Cc1ccccc1N	51V	2-methylaniline
+c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCN)I	51W	n-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide
+c1ccc2c(c1)C(=O)N(C2=O)CC(=O)O	51X	(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetic acid
+Cc1c(ccc(c1Cl)C#N)N[C@@H]2CCC[C@@]2(C)O	51Y	2-chloro-4-{[(1r,2r)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile
+c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)C(=O)c3ccc(cc3)N	520	4'-(4-aminobenzoyl)biphenyl-4-sulfonamide
+c1ccc(cc1)c2c(c(cs2)N3CC(=O)NS3(=O)=O)Cl	521	5-(4-chloro-5-phenyl-3-thienyl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)[C@H](C)OO)C)CCC(=O)O)C	522	peroxidized heme
+CC1=C(NC(=O)[N+](=C1)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N	523	2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate)
+CN(C)C(=O)[C@@H](C1CCC(CC1)c2cccc3n2ncn3)[C@@H](C(=O)N4CC[C@@H](C4)F)N	524	(2s,3s)-3-amino-4-[(3s)-3-fluoropyrrolidin-1-yl]-n,n-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-5-ylcycloh exyl)butanamide
+CC(C)(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F	525	(3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4r)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+CC(C)(C)[C@@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F	526	(3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4s)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)C(=O)O)OCC(=O)O)Br	527	5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
+CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	528	(2s)-2-[3-(aminomethyl)phenyl]-3-{(r)-hydroxy[(1r)-2-methyl-1-{[(3-phenylpropyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid
+C[C@@H](c1ccc(cc1)N2CCNC2=O)C(=O)/N=C/3\C=C(N=N3)C4CC4	529	(2s)-n-[(3z)-5-cyclopropyl-3h-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
+C1[C@@H](NC[C@]1(C(=O)O)N)C(=O)O	52A	(2r,4r)-4-aminopyrrolidine-2,4-dicarboxylic acid
+c1c(cc(c2c1C=C([C@H](O2)C(F)(F)F)C(=O)O)Cl)Cl	52B	(2s)-6,8-dichloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid
+c1ccc(c(c1)c2[nH]nnn2)Cl	52C	5-(2-chlorophenyl)-1h-tetrazole
+c1cc(ccc1C(=O)c2ccncc2)OCCN3CCCC3	52D	pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
+CN([C@@H](C[C@H](CO)O)COC(=O)Nc1cc2ccccc2cn1)C(=O)NCc3cccc(c3Cl)F	52E	4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-o-(isoquinolin-3-ylcarbamoyl)-d-erythro-pentitol
+c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O	52F	3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid
+[H]/N=C(\CCNC(=O)c1csc(n1)[C@H]2CSC(=N2)CCNC(=O)[C@H](C(C)(C)O)NC(=O)[C@@H](C)[C@@H]([C@@H](CCO)NC(=O)[C@H]([C@H](c3c[nH]cn3)O[C@H]4[C@H]([C@H]([C@@H]([C@@H](O4)C)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)OC(=O)N)O)NC(=O)c6c(c(nc(n6)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O)/N	52G	zorbamycin
+CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	52H	5'-o-{[(2r)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine
+CC(C)C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	52I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-(2-methylpropyl)phthalazin-2(1h)-yl]prop-2 -en-1-one
+CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	52J	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylpropyl)phthalazin-2(1h)-yl]prop-2-en-1-one
+C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Cl	52K	n-{3-[(3r)-5-amino-3-methyl-3,6-dihydro-2h-1,4-oxazin-3-yl]phenyl}-5-chloropyridine-2-carboxamide
+C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)/C(=N\O)/C(=O)O	52L	dahp oxime
+c1cc(c(cc1NC(=O)S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O	52M	2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H]([C@H]([C@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC	52N	1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate
+CC(C)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	52O	pivalyl-coenzyme a
+c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl	52P	5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6h-pyrimido[1,6-b]pyridazin-6-one
+c1[nH]nc(n1)S[C@@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N	52Q	(1r,2s,4r,5r,6r)-2-amino-4-(1h-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
+Cn1ccc(n1)N(C)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F	52R	n5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-n8-methyl-n8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine
+CC(C)NC(=O)O[C@@H]1CC[C@@](c2c1nnn2Cc3ccc(cc3)OC)(C)O	52T	(4r,7r)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	52U	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+Cc1cccc(c1c2cc(cc(c2)OC)[C@H](C)C#Cc3c(nc(nc3N)N)C)C	52V	5-[(3s)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC	52W	(3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CC(=O)NCCc1c2cc(ccc2[nH]c1I)NC(=O)OC	52X	methyl {3-[2-(acetylamino)ethyl]-2-iodo-1h-indol-5-yl}carbamate
+COc1ccc(cc1)c2ccc(c(c2)F)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC	52Y	methyl (2z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC	52Z	(3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
+c1cc(c(cc1F)F)Oc2ncc3c(n2)[nH]nc3NC4CCOCC4	530	6-(2,4-difluorophenoxy)-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-amine
+CC(=O)[C@H]1CCCN(C1)Cc2ccccc2	531	1-[(3s)-1-benzylpiperidin-3-yl]ethanone
+CN1C(=O)[C@](N=C1N)(c2cccc(c2)c3cccnc3)c4ccsc4	532	(5s)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4h-imidazol-4-one
+C[C@H](Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C	533	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1r)-1-methyl-2-(2h-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+CC(C)c1ccc(cc1)c2c(nccn2)N3CCN(CC3)S(=O)(=O)c4cccc(c4)c5cnc(nc5)N	534	5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine
+CCOC(=O)c1c(n2ccnc2s1)C	535	ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate
+c1ccc(cc1)CN2CCCC(=C2)C(=O)N	536	1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide
+c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O	537	2,6-dihydroanthra/1,9-cd/pyrazol-6-one
+CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4)c5ccccc5C(=O)O)C)C	538	4'-[(2,3-dimethyl-5-{[(1s)-1-phenylpropyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid
+c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCCC4)Cl)Cl	539	6,7-dichloro-n-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine
+CCOC(=O)C1=C2N=C(c3ccccc3N2NN1)S[C@H](C(=O)C)C(=O)OCC	53A	ethyl 5-{[(1r)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
+c1cc(nc(c1)O)C(=O)O	53B	6-hydroxypyridine-2-carboxylic acid
+CC(=O)c1cccc(c1)O	53C	1-(3-hydroxyphenyl)ethanone
+CCN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3C4CC4)C(=O)NCCCN(C)C	53D	1-cyclopropyl-n-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide
+c1cc(c2c(c1)OCCO2)C(=O)O	53E	2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)N	53F	(3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate
+CN(C)C(=O)c1ccc2c(c1)nccn2	53G	n,n-dimethylquinoxaline-6-carboxamide
+CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	53H	5'-o-[(3-methyl-d-valyl)sulfamoyl]adenosine
+CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C	53I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-y l]prop-2-en-1-one
+CC(=C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C	53J	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-y l]prop-2-en-1-one
+Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4	53K	2-(2-methylphenoxy)-5-[(4-phenyl-1h-1,2,3-triazol-1-yl)methyl]phenol
+C[C@@H]1CN2c3ccc(cc3C[C@@]4([C@H]2[C@@H](O1)C)C(=O)NC(=O)N=C4O)N(=O)=O	53L	(2r,4s,4as,5s)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'h)-dione
+C[C@@H]1CN2c3ccc(cc3CC4([C@H]2[C@@H](O1)C)C(=NC(=O)N=C4O)O)[N+](=O)[O-]	53M	(2r,4s,4as)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one
+c1cc(cc(c1)[N+](=O)[O-])c2ccc(s2)CCC(=O)O	53N	3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid
+c1ccc(cc1)c2cccc(c2)n3ccnc3	53O	1-(biphenyl-3-yl)-1h-imidazole
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F	53P	(10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo(4,3-h)(2,5,11)benzoxadiazacyclotetradecine-3-carbonitrile
+CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3	53Q	clomifene
+Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccccc3	53R	5-[(3r)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+Cc1ccc(cc1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C	53S	5-[(3r)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+Cc1cc(cc(c1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C	53T	5-[(3r)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccc3)N	53U	d-phenylalanyl-n-benzyl-l-prolinamide
+Cc1cccc(c1c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C	53V	5-[(3r)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccc(cc5)OC	53W	5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1h-benzimidazole
+CCn1cc(c2c1cccc2)c3cc(n(n3)C)C(=O)O	53X	3-(1-ethyl-1h-indol-3-yl)-1-methyl-1h-pyrazole-5-carboxylic acid
+c1ccc-2c(c1)NC(=O)c3n2ccc3	53Y	pyrrolo[1,2-a]quinoxalin-4(5h)-one
+c1cc(ccc1CNC(=O)NCC(=O)N2CCCC2)N	53Z	1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea
+Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)OC)F)C	540	8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline
+Cc1cc(c2ccccc2n1)COc3ccc(cc3)[C@@]4(CCN(C4=O)[C@H](C)C(=O)NO)C	541	(2r)-n-hydroxy-2-[(3s)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	542	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+CC[O@@H][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]	543	calcium ion, 6 waters plus ethanol coordinated
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)N/C(=C\C(=O)c4ccccc4)/C	544	2-(1-methyl-3-oxo-3-phenyl-propylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
+CCCCOC(=O)[C@H]([C@H]1[C@@H]([C@@]([C@H](C[N@@]1O)O)(CO)O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N	545	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid butyl ester
+Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C	546	2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine
+c1ccc(cc1)c2c3c(ccnc3oc2c4ccccc4)NCCN5CCNCC5	547	2,3-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
+Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)Cl)C(F)(F)F)C	548	6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline
+CC(C)n1cnc2c1ccc(c2)C(=O)O	549	1-(propan-2-yl)-1h-benzimidazole-5-carboxylic acid
+CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2N3[C@@H]4CC[C@H]3CN(C4)C)C5=NNC(=O)O5)c6nc(cs6)C(F)(F)F	54B	1-ethyl-3-[5-[2-[(1s,5r)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3h-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea
+CC(C)([C@@H]1CO1)n2cc(c3c2cccc3)[C@H]([C@@H](C(=O)O)N)O	54C	(betar)-beta-hydroxy-1-{2-[(2r)-oxiran-2-yl]propan-2-yl}-l-tryptophan
+COC(=O)c1cccs1	54D	methyl thiophene-2-carboxylate
+c1ccc(cc1)c2ccc(cc2Cl)CN	54E	1-(2-chlorobiphenyl-4-yl)methanamine
+c1ccnc(c1)Oc2cccc(c2)N	54F	3-(pyridin-2-yloxy)aniline
+Cc1ccc(c(c1)C(=O)O)O	54G	2-hydroxy-5-methylbenzoic acid
+CC(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	54H	5'-o-(d-valylsulfamoyl)adenosine
+C(/C=N/O)C(=O)O	54I	(3e)-3-(hydroxyimino)propanoic acid
+CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)CC)c5cncnc5)F	54J	n-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1h-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide
+Cc1cnc(c2c1nc[nH]2)N	54K	7-methyl-3h-imidazo[4,5-c]pyridin-4-amine
+C#CCCC(=O)O	54L	pent-4-ynoic acid
+COc1ccc(cc1)[C@]2(CCC(=N2)N)c3cccc(c3)c4cncnc4	54M	(5r)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine
+Cc1c(ccc(n1)CN(C)C)c2cnc(c3c2C(=O)NN=C3)NCc4c(ccc5c4CCO5)F	54N	8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2h-pyrido[3,4-d]pyridazin-1-one
+C(CO)CS(=O)(=O)O	54O	3-hydroxypropane-1-sulfonic acid
+c1ccc(cc1)c2ccc(cc2Cl)CNCCCO	54P	3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol
+C[C@@H]1CN2c3ccc(cc3CC4([C@H]2[C@@H](O1)C)C(=O)NC(=O)NC4=O)[N+](=O)[O-]	54Q	(2r,4s,4as)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'h,3'h)-trione
+CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2	54R	n-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide
+c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCC(=O)Nc3cccc(c3)C(=O)O	54S	n-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-n-(3-carboxyphenyl)-beta-alaninamide
+c1cc2c(cc1Cl)sc(n2)N	54T	6-chloro-1,3-benzothiazol-2-amine
+CC(=O)N1CCN(CC1)c2ccc(cc2)O	54U	1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)OC	54V	methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
+CC(=O)NCCc1ccccc1	54W	n-(2-phenylethyl)acetamide
+c1cc(sc1)c2csc3c2C(=O)N=CN3	54X	5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1h)-one
+CNC(=O)c1cnn(c1Cl)C	54Y	5-chloro-n,1-dimethyl-1h-pyrazole-4-carboxamide
+c1cc(c(cc1CN)Cl)OC(F)(F)F	54Z	1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine
+Cc1cc(c2ccccc2n1)COc3ccc(cc3)C[C@@]4(C[C@@H]4C(=O)NO)C(=O)OC	550	methyl (1r,2s)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
+COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2	551	methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate
+c1cc(ccc1COC2=NC(=C3C=C[C@H](N3C2=O)C(=O)N4CCCC4)Cl)F	552	(6s)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6h)-one
+c1cnc(nc1c2cc3c([nH]2)[C@H](CNC3=O)CCF)N	553	(7s)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1ccc2c(c1)c(ccc2c3ccc(cc3)O)\C=N\O	555	4-(4-hydroxyphenyl)-1-naphthaldehyde oxime
+c1cc(sc1)c2cnc3n2CCC3	556	3-(thiophen-2-yl)-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole
+C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)n2cc(c(n2)C(F)(F)F)CO	557	n-[(2s)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}propyl]propane-2-sulfonamide
+Cc1nnc2n1-c3ccc(cc3N(C[C@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N	558	5-[(4r)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine
+Cc1nnc2n1-c3ccc(cc3N(C[C@@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N	559	5-[(4s)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3	55A	n~2~-acetyl-n-[(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-l-leucinamide
+COc1cc(cc(c1O)OC)/C=C/CO	55B	4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol
+C/C(=C\C(=O)Nc1ccccc1C(=O)O)/c2ccc3ccccc3c2	55C	2-{[(2e)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid
+CCCC(=O)Nc1c(ccs1)C(=O)N	55D	2-(butanoylamino)thiophene-3-carboxamide
+Cc1cc(ccc1O)C2=NC(=O)N=C(C2)c3ccccc3	55E	4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5h)-one
+Cc1c(ccc(n1)c2c([nH]c(n2)NC(=O)C)c3ccc4c(c3)nccn4)F	55F	n-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1h-imidazol-2-yl]acetamide
+c1ccc(cc1)C2=CC(=O)Nc3c2c([nH]n3)c4cnc(s4)c5cccnc5	55G	4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
+c1cc(cnc1)c2ncc(s2)c3c4c(n[nH]3)NC(=O)C=C4	55H	3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
+c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)F	55I	4-(trifluoromethyl)-l-phenylalanine
+Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F	55J	1-methyl-5-({2-[5-(trifluoromethyl)-1h-imidazol-2-yl]pyridin-4-yl}oxy)-n-[4-(trifluoromethyl)phenyl]-1h-benzimidazol-2-amine
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4(CCCC4)C(=O)O	55K	1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	55L	(r)-4-(((s)-1-(((s)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate
+C[C@H]([C@@H]1CC(=O)NC1)Oc2c3c(cc(n2)c4ccc(c(c4)OC)OC)ncs3	55M	(4r)-4-[(1r)-1-{[6-(3,4-dimethoxyphenyl)[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy}ethyl]pyrrolidin-2-one
+CC(C)[C@@H](C[C@H](C(=O)O)OC(=O)C)NC	55N	(2r,4r)-2-(acetyloxy)-5-methyl-4-(methylamino)hexanoic acid
+C[C@H](C[C@H](Cc1ccccc1)N)C(=O)O	55P	(2r,4r)-4-amino-2-methyl-5-phenylpentanoic acid
+CC[C@@H](C)[C@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@@H]3CCCCN3C	55Q	(2r,4r)-4-{[(2-{(1r,3r)-1-(acetyloxy)-4-methyl-3-[methyl(n-{[(2s)-1-methylpiperidin-2-yl]carbonyl}-d-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid
+c1ccc(c(c1)C(=O)O)NN=C2C=CC(=O)C=C2	55R	2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid
+CCS(=O)(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3	55S	6-(cyclohexylmethoxy)-n-[4-(ethylsulfonyl)phenyl]-9h-purin-2-amine
+CC(=O)Nc1cccc(c1)[C@@H](OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)P(=O)(O)O	55T	5'-o-[(r)-[(s)-[3-(acetylamino)phenyl](phosphono)methoxy](hydroxy)phosphoryl]cytidine
+CN(C)c1ccc(cc1)c2cc3c(cccn3)c(n2)NCCCN	55U	n-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine
+Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC	55V	6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine
+Cc1ccc(c(c1)C)[P@](=O)(Nc2c(cn(n2)c3ccc(cc3)c4cc5nc(cc(n5n4)N)C)C(=O)O)OC	55W	1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(r)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1h-pyrazole-4-carboxylic acid
+C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C	55X	s-{1-[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2s,6r)-6-[(8s,9s,10r,13r,14s,17r)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name)
+C[C@H]([C@H]1CNC(=O)O1)Oc2cc(cc3c2csn3)c4cnn(c4)C	55Y	(5r)-5-[(1r)-1-{[6-(1-methyl-1h-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one
+CC(C)(C)NC(=O)c1c(c2c(nc(nc2s1)SC)c3cccc(c3)NC(=O)CN4CCOCC4)N	55Z	5-azanyl-n-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
+c1ccc2c(c1)cccc2NC(=O)CCC[N@]3C[C@H](NN3)c4coc5c4cc(c(c5)O)C(=O)O	561	6-hydroxy-3-{(4r)-1-[4-(1-naphthylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofuran-5-carboxylic acid
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCOCCOCCN=[N+]=N	562	n~5~-[n-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-l-ornithine
+Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C	563	n-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide
+CC1(CCC(c2c1ccc(c2)C(=O)c3ccc4cc(ccc4c3)C(=O)O)(C)C)C	564	6-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalene-2-carbonyl)-naphtalene-2-carboxylic acid
+C[C@@H]1C(=O)NCCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N	565	(3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one
+c1ccc(cc1)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3	566	(3s)-1-cyclohexyl-5-oxo-n-phenylpyrrolidine-3-carboxamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)NS(=O)(=O)CC(=O)O)\N	567	2-[[(2r)-1-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid
+c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5C[C@H](OC5)CO	568	n,n-[2,5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol]
+CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)(F)F)c3ccc(c(c3)c4cncnc4)F	569	(5r)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4h-imidazol-4-one
+c1ccc(cc1)CCCCCCCCn2cncc2C[C@@H](C(=O)O)N	56A	3-(8-phenyloctyl)-l-histidine
+c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@H]4C=C[C@@H]([C@@H]4O)O	56B	2-amino-5-({[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-o-phosphono-beta-d-ribofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCOCCOCCOCCN=[N+]=N	56C	n~5~-{n-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-l-ornithine
+C[C@H](c1ccccc1)C(=O)C(=O)O	56D	(3r)-2-oxo-3-phenylbutanoic acid
+CCOC(=O)CNC(=O)c1cc(sc1)C	56E	ethyl n-[(5-methylthiophen-3-yl)carbonyl]glycinate
+CNS(=O)(=O)Cc1ccc(cc1)Cl	56F	1-(4-chlorophenyl)-n-methylmethanesulfonamide
+Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3cccc(c3)NC(=O)C=C)N4CCN(CC4)C	56G	n-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide
+CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3	56H	n-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide
+c1ccc2c(c1)-c3ccccc3C2CCC=O	56J	3-(9h-fluoren-9-yl)propanal
+Cc1nc(cs1)c2cccc(c2)N	56K	3-(2-methyl-1,3-thiazol-4-yl)aniline
+CC(C)C1C(=O)NC(=S)NC1=O	56L	5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
+CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c(c(c([nH]2)C)C(=O)C)C)O	56M	4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	56N	phenyl beta-d-galactopyranoside
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)NO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	56O	n-[(2r)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-l-alpha-glutamyl-l-alpha-glutamine
+Cc1cc(ccc1F)S(=O)(=O)N(CCCCCCN)[C@H](C)C(=O)NO	56P	n~2~-(6-aminohexyl)-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+Cc1cc(ccc1F)S(=O)(=O)N(C)[C@H](C)C(=O)NO	56Q	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-methyl-d-alaninamide
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)CN)[C@H](C)C(=O)NO	56R	n~2~-[3-(aminomethyl)benzyl]-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+CCCCCCCCCCCC(=O)OC(C)C	56S	propan-2-yl dodecanoate
+c1cc(oc1)CCN	56T	2-(furan-2-yl)ethanamine
+c1ccc2c(c1)[nH]c(n2)C(F)F	56U	2-(difluoromethyl)-1h-benzimidazole
+c1ccc2c(c1)nc3n2[C@@H](CS3)O	56V	(3r)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol
+CC(=O)N[C@H](CCP(=O)(C[C@H](CCC[C@H](C(=O)O)N)C(=O)O)O)C(=O)O	56W	(2r,6r)-2-{[(r)-[(3r)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid
+CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C	56Y	4-acetyl-n-(3-carbamoylbenzyl)-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide
+COc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	56Z	4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)Nc4ccccc4C(=O)c5ccccc5	570	2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
+CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)[C@@H](c5ccccc5)O	571	5-[(2r)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium 
+CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO	572	4-[2-(hydroxymethyl)pyrimidin-4-yl]-n,n-dimethylpiperazine-1-sulfonamide
+C[C@@H](CONC(=O)c1c(c2cncc(c2o1)F)Nc3ccc(cc3F)I)O	573	7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-n-{[(2s)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide
+B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)c5ccccc5[C@@H](CN)O	574	[(3as,4r,6r,6ar)-2-{2-[(1s)-2-amino-1-hydroxyethyl]phenyl}-6-(6-amino-9h-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphite
+c1cc(ccc1CN2CCCC2)N\C=C/3\c4cc(ccc4C(=O)NC3=O)Br	575	(4z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2h,4h)-dione
+c1ccc-2c(c1)Cc3c2ccc(c3)CC[C@@H](CC(=O)O)O	576	(3s)-5-(9h-fluoren-2-yl)-3-hydroxypentanoic acid
+CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4	577	4-[5-(4-fluoro-phenyl)-2-[4-methanesulfinyl-phenyl]-3h-imidazol-4-yl]-pyridine
+CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)O[C@@H](c2cccc(c2)CN)C(=O)O	578	(5r,6s,8s)-8-[3-(aminomethyl)phenyl]-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+CCc1c(c([nH]c1C(=O)Nc2ccc(c(c2)S(=O)(=O)N3CCOCC3)F)C)C(=O)C	579	4-acetyl-3-ethyl-n-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1h-pyrrole-2-carboxamide
+CCCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N3CCCCCC3)C)C(=O)C	57C	4-acetyl-n-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O	57D	chrysin
+CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C	57E	1-[(4-acetyl-3-ethyl-5-methyl-1h-pyrrol-2-yl)carbonyl]-n-methyl-1h-indole-6-sulfonamide
+CCc1c(c([nH]c1C(=O)Nc2cc(c(cc2O)C)S(=O)(=O)N(CC)CC)C)C(=O)C	57F	4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide
+CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)CO	57G	n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1h-pyrrole-2-carboxamide
+C=CCP(=O)(O)O	57H	prop-2-en-1-ylphosphonic acid
+Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CC(=O)c5cc(c(cc5O4)C)C	57J	6,7-dimethyl-1'-[(7-methyl-1h-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3h)-one
+Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CN(C4)C(=O)OC(C)(C)C	57K	tert-butyl 7-[(7-methyl-1h-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
+Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CCN([C@H]4C)C(=O)OCC(C)(C)C	57L	2,2-dimethylpropyl (1s)-1-methyl-8-[(7-methyl-1h-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
+CC(C)C[C@@H](C(=O)NCCCN[C@@H]([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)C(=O)O)NC(=O)[C@H]([C@@H]4CCN=C(N4)N)NC(=O)N[C@@H](C(C)C)C(=O)O	57M	muraymycin d2
+c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3Cc4ccccc4C3=O	57N	(2r)-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)-2-phenyl-n-(1,3-thiazol-2-yl)acetamide
+Cc1c(nc(c(c1O)C)O)CC(=O)O	57O	(4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid
+c1ccc(cc1)c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5	57P	3-(5-cyclopropyl-2,3-diphenyl-1h-indol-1-yl)propanoic acid
+c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O	57Q	3-(2-phenyl-1h-indol-1-yl)propanoic acid
+CC(C)NC(=O)O[C@H]1CC[C@@](c2c1nnn2Cc3ccc(cc3)OC)(C)O	57R	(4s,7r)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](COP(=O)(O)O)[C@H]([C@H](CO)O)O)CO)O)O	57S	4-o-[2-acetamido-2-deoxy-beta-d-glucopyranosyl]-5-o-phosphono-d-ribitol
+c1cc(ccc1/C=C(\C(=O)O)/SS/C(=C\c2ccc(cc2)I)/C(=O)O)I	57T	(2e,2'z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid]
+CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)CO	57U	1-ethyl-3-[4-(hydroxymethyl)-5-(1h-pyrrol-2-yl)-1,3-thiazol-2-yl]urea
+CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)/C=C/c3cccnc3	57V	1-ethyl-3-{4-[(e)-2-(pyridin-3-yl)ethenyl]-5-(1h-pyrrol-2-yl)-1,3-thiazol-2-yl}urea
+CCNC(=O)Nc1cn(c2c1ncc(c2)c3cccnc3)c4ccccn4	57W	1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1h-pyrrolo[3,2-b]pyridin-3-yl]urea
+CCCN1c2c(c(n[nH]2)c3cnc(s3)c4cccnc4)C=CC1=O	57X	7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
+CCCc1c(ccc2c1n[nH]c2c3cnc(s3)c4cc(c(nc4)C(=O)O)O)O	57Y	3-hydroxy-5-[5-(6-hydroxy-7-propyl-2h-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
+Cc1cc(c2c(c1)C=C(C(=O)N2)CN(CCO)C(=S)Nc3ccc(cc3)O)C	57Z	1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea
+Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc(cc4)F	580	3-(4-fluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole
+CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O	581	2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+CCN1c2ccccc2-c3c(c(n[nH]3)C)C1=O	582	5-ethyl-3-methyl-1,5-dihydro-4h-pyrazolo[4,3-c]quinolin-4-one
+c1cc(ccc1c2c[nH]nc2c3ccc(cc3)O)O	583	4,4'-(1h-pyrazole-3,4-diyl)diphenol
+C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C	584	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5h)-one
+CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C	585	6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one
+CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H](C[C@@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O)OC	586	n-[4-(1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanes ulfonyl-methyl-amino)-n'-(1-phenylethyl)-isophthalamide
+CC[C@@H]1C=C([C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6C)/C)O)C)OC)OC)C)O)C	587	c32-o-(1-methyl-indol-5-yl) 18-hydroxy-ascomycin
+CCCCCNC(=O)[C@H](Cc1ccc(c(c1)\C=C\C(=O)N)N(c2ccccc2C(=O)O)C(=O)C(=O)O)NS(=O)(=O)C	588	2-{[2-(2-carbamoyl-vinyl)-4-(2-methanesulfonylamino-2-pentylcarbamoyl-ethyl)-phenyl]-oxalyl-amino}-benzoic acid
+c1ccc2cc(ccc2c1)N3C(=NN(C3=O)C4CCOCC4)c5ccnc(c5)NC6CCCCC6	589	5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2h-pyran-4-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCC=CCCCCCCCC	58A	5'-o-[(r)-{[(s)-{(2r)-2,3-bis[(9e)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)N	58B	l-alanyl-d-alpha-glutamine
+c1cc2cnc(nc2c(c1)OC3CCC(CC3)O)Nc4ccc5c(c4)nc[nH]5	58C	cis-4-{[2-(1h-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol
+CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccc(cc3)OC	58D	(3s)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione
+C[C@H]1[C@@H]2CCc3c(n(nc3[C@]2(CC(=C1O)C#N)C)C)c4cccnc4	58E	(5as,6s,9as)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2h-benzo[g]indazole-8-carbonitrile
+CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)I	58F	p-iodo hoechst
+c1ccc(cc1)[C@H]2CC[C@H](C2)Nc3ccc(cn3)C(=O)N	58G	6-{[(1r,3s)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide
+COC(=O)C1=C(NC(=NC1c2ccc(cc2Cl)F)c3ccccn3)CN4CCC(CC4)C(C#C)(C#C)O	58H	methyl (4r)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate
+C(CC[NH3+])C[NH3+]	58I	4-azaniumylbutylazanium
+CN1/C(=C\c2ccc(cc2)OC)/C(=O)Nc3ccccc3C1=O	58J	4-methoxydehydrocyclopeptin
+CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3	58K	cyclopeptin
+c1ccc(cc1)C[C@H]2C(=O)Nc3ccccc3C(=O)N2	58L	demethylated cyclopeptin
+C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cnn(c3)C(C)(C)C	58N	(4r)-6-(1-tert-butyl-1h-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+COc1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N	58O	6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@@H](CO)O)C#N	58P	1-[(2s)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 h-indole-2-carbonitrile
+Cc1c2cc(n(c2cc(c1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)OC)Cc6c[nH]nc6)C#N	58Q	6-methoxy-4-methyl-1-(1h-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2CC(=O)N)C#N	58R	2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indol-1-yl}aceta mide
+CNc1c2c3nc(n1)OCCOCCOc4cccc(c4)CN3C(=O)N2	58T	13-(methylamino)-23,24,25-trioxa-17,18,19,21-tetrazatetracyclo-tricosa-1(3),2(10),4(11),12(14),13(18),16(19)-hexan-15-one
+C[C@@H](CC(=O)C(=O)O)C(=O)CC=O	58U	(4s)-4-methyl-2,5,7-trioxoheptanoic acid
+c1cc(c(cc1Nc2c3ncc(n3cc(n2)C4CC4)c5c[nH]nc5)Cl)C(=O)N6CCOCC6	58V	(2-chloro-4-{[6-cyclopropyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone
+c1ccc(cc1)C2(CCC2)C(=O)Nc3cc(c(cc3O)O)Cl	58W	n-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide
+CC(=CCC/C(=C/C(=O)O)/C)C	58X	(2e)-3,7-dimethylocta-2,6-dienoic acid
+C[C@@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O	58Y	(2r,3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methylhexahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+c1cc2c(cc[nH]2)cc1OCCN3CCC(CC3)C(=O)O	58Z	1-[2-(1h-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N	590	9-[2-azido-2-deoxy-5-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-d-arabinofuranosyl]-9h-purin-6-amine
+CCn1cc(cn1)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4	591	(5s)-2-amino-5-(1-ethyl-1h-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4h-imidazol-4-one
+Cc1c(cccc1OC)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5	592	n-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide
+CN1C(=O)[C@@](N=C1N)(c2ccccc2)C34CC5CC(C3)CC(C5)C4	593	(5s)-2-amino-3-methyl-5-phenyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4h-imidazol-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N	594	9-[2-deoxy-2-fluoro-5-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-d-arabinofuranosyl]-9h-purin-6-amine
+C[C@@H](CCC[C@@H](C=O)[N@@](CCC(C)C)S(=O)(=O)c1ccc(cc1)N)NC(=O)[C@H](C(c2ccccc2)c3ccccc3)NC(=O)OC	595	n-[(1s,5s)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c5ccccc5[nH]n4)/C2=O	596	(2z)-2-(1h-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2h)-one
+c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3ccc4c(c3)sc5c4sc(c5OCC(=O)O)C(=O)O	598	6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid
+c1cc(ccc1C#Cc2cc(ccc2Cl)c3c4c(n(n3)CCCN5CCOCC5)CCN(C4)C(=O)CO)Cl	599	2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol
+CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC	59A	n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucine
+c1ccc2c(c1)nc(c3n2nnn3)Nc4ccc(cc4)C(=O)N5CCOCC5	59B	morpholin-4-yl[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
+C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCC=C)C)C)OC)OC(=O)N)C)C)O)OC	59C	[(3r,5s,6r,7r,12e)-5,11-dimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
+C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5	59D	(7r)-1-(4-fluorobenzyl)-n-{3-[(1s)-1-hydroxyethyl]phenyl}-7-methyl-5-(1h-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine-3-carboxamide
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)OC)c4cccc5c4cc[nH]5)OC	59E	methyl [(4s)-6-(1h-indol-4-yl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H](C=O)[C@@H]3N[C@H]([C@H](CS3)C)C(=O)O	59F	(2r,4r,5r)-2-[(1r)-1-{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)scc5C(=O)O	59G	6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NC(=O)N3CCNC3=O)C(=O)O)C	59H	(2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-{[(2r)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@@H]([C@@H]3N=C([C@H](CS3)C)C(=O)O)C(=O)O	59J	(2r,5r)-2-[(r)-carboxy{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1nnc(s1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F	59K	4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
+Cc1cccc(c1Nc2cc(ccc2C(=O)O)[N+](=O)[O-])C(=O)O	59L	2-[(2-carboxy-5-nitrophenyl)amino]-3-methylbenzoic acid
+c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)CF)CC(F)(F)F	59M	4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
+CCNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cncc(n4)C)CC5CCC(CC5)N	59N	8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)F)CC(F)(F)F	59Q	4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
+c1cc(cc(c1)F)CCNCCO[C@H]2CNC[C@H]2Cc3cccc(n3)N	59R	6-{[(3r,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)/C=C/c2ccc(cc2)OC	59S	(2s)-2-[[(2s)-2-[[(e)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide
+Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC	59T	8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+CCN1c2c(cnc(n2)NCCC3CCN(CC3)C)C=C(C1=O)c4ccc(cc4Cl)c5cncc(n5)C	59U	6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)(F)F)CC(F)(F)F	59V	6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine
+c1cc(cc(c1)F)CCNCCO[C@@H]2CNC[C@@H]2Cc3cccc(n3)N	59W	6-{[(3s,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
+CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CCF)C	59X	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine
+c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O	59Y	8-(naphthalen-1-yl)quinoline-2-carboxylic acid
+c1ccc2c(c1)ccc3c2n(c(c3)C(=O)NCP(=O)(O)O)CC(=O)O	59Z	{2-[(phosphonomethyl)carbamoyl]-1h-benzo[g]indol-1-yl}acetic acid
+CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)F)C	5A0	6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
+CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)C(C(F)(F)F)(F)F)C	5A1	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine
+C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	5A2	3,5-di-methylenebisphosphonate inositol tetrakisphosphate
+C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	5A3	methylenebisphosphonate inositol pentakisphosphate
+C(CCc1nnc(o1)CC[C@@H](C(=O)O)N)CCN	5A6	(2s)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid
+CC(=O)Nc1cc2ccc(nc2c(c1)c3cccc4c3cccc4)/C=C/P(=O)(O)O	5A7	{(e)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid
+c1ccc2c(c1)c(c[nH]2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N	5A8	5'-azido-5'-deoxy-8-[(2-{[2-(1h-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
+c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N	5A9	5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O	5AA	n6-dimethyl-3'-amino-adenosine-5'-monophosphate
+[B-](CCCC[C@@](C)(C(=O)O)N)(O)(O)O	5AB	[(5s)-5-amino-5-carboxyhexyl](trihydroxy)borate
+c1[nH]c(c(n1)C(=O)N)N	5AC	5-amino-1h-imidazole-4-carboxamide
+C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	5AD	5'-deoxyadenosine
+C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N	5AE	4-amino-1-(beta-d-ribofuranosyl)-1,3,5-triazin-2(1h)-one
+CCC(CC)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(CC)CC)N	5AF	2,5-bis{[4-(3-pentyl)diaminomethyl]phenyl}furan
+C#Cc1cccc(c1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N	5AG	5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
+CC(C)(C)[C@@H](C(=O)N[N@](CC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)c5ccccn5)NC(=O)OC	5AH	methyl [(1s)-1-({2-[(3s)-3-benzyl-3-hydroxy-4-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-4-oxobutyl]-2-(4-pyridin-2-ylbenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate
+c1ccc2c(c1)[nH]c(n2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N	5AJ	5'-azido-8-[(2-{[2-(1h-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine
+c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N	5AK	8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
+C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	5AL	5'-o-[(r)-{[(2s)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine
+c1ccc(cc1)CCCC(=O)N2CCN(CC2)Cc3nc(no3)[C@H]([C@H](CCCCN)NC(=O)OCc4ccccc4)O	5AM	benzyl {(1s)-5-amino-1-[(s)-hydroxy(5-{[4-(4-phenylbutanoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)methyl]pentyl}carbamate
+c1c(cc(cc1F)F)N	5AN	3,5-difluoroaniline
+c1cc(cc(c1)N)c2cnco2	5AO	3-(1,3-oxazol-5-yl)aniline
+COc1cc(cc(c1)OC)c2nc(c(c(n2)N)CN)c3ccc(cc3Cl)Cl	5AP	5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine
+c1ccc(cc1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N	5AQ	8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine
+C(CCN)Cc1nnc(o1)CC[C@@H](C(=O)O)N	5AR	(2s)-2-amino-4-[5-(4-aminobutyl)-1,3,4-oxadiazol-2-yl]butanoic acid
+CCNS(=O)(=O)OC[C@@H]1[C@H]([C@H](C(O1)n2cnc3c2ncnc3N)O)O	5AS	5'-o-(n-ethyl-sulfamoyl)adenosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN)O	5AT	5'-amino-5'-deoxythymidine
+c1ccc(cc1)[As](SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	5AU	di-glutathione-phenylarsine
+Cc1c(sc(n1)C)CNc2cc(nc3n2ncc3)Cl	5AV	5-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
+C[C@@H](CC[C@H](C)NC(=O)OCc1cncs1)NC(=O)[C@@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C	5AW	n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2s,5s)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-d-valinamide
+CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO	5AX	2-(acetylamino)-1,5-anhydro-2-deoxy-d-glucitol
+Cn1cc(cn1)CNc2cc(nc3n2ncc3)OC[C@H]4C[C@@H]4c5ccccn5	5AY	n-[(1-methyl-1h-pyrazol-4-yl)methyl]-5-{[(1s,2s)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine
+C1=NC(=O)NC(=N1)N	5AZ	6-amino-1,3,5-triazin-2(1h)-one
+Cc1c(c(c(cn1)CCP(=O)(O)O)CO)O	5B0	{2-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid
+c1cc2c(cc1Br)c(n[nH]2)N	5B1	5-bromo-1h-indazol-3-amine
+c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N	5B2	5-phenyl-1h-indazol-3-amine
+CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N	5B3	4-(3-amino-1h-indazol-5-yl)-n-tert-butylbenzenesulfonamide
+Cn1cc(cn1)c2cc(ccn2)Oc3cc(c(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F)F	5B4	n-(2,5-difluoro-4-{[2-(1-methyl-1h-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide
+CCN[C@H]1CO[C@H]2[C@@H]1[C@H](CCO2)OC(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O	5B5	(3r,3as,4s,7as)-3-(ethylamino)hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/c2cc(cc(n2)c3ccccn3)O)O	5B6	[5-hydroxy-4-({(e)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC	5B7	(3r,3ar,4s,7as)-3-methoxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+C[C@H]([C@H](C1CCCCC1)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCCN5CCOCC5)O	5B8	(1r)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2s)-1-[(2s,3r)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate
+c1ccc2c(c1)cccc2COc3ccccc3C(=O)O	5B9	2-(naphthalen-1-ylmethoxy)benzoic acid
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)C(C)C)C(=O)CN3CCN(CC3)C	5BA	5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3h)-one
+CCCCCCCCC1=C(C(=O)NC(=N1)c2cc(ccc2OCC)S(=O)(=O)N3CCN(CC3)C)Br	5BB	5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3h)-one
+CCCc1cc(ccc1OCCCOc2ccc3c(c2)ccn3CC(=O)O)C(=O)c4ccc(cc4)c5ccccc5	5BC	(5-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propoxy}-1h-indol-1-yl)acetic acid
+CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c3cc(ccc3C2=O)NC(=O)CN(C)C	5BD	n,n'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]
+Cc1c(c([nH]n1)c2[nH]c3ccc(cc3n2)C(C)C)C(=O)NC4CCN(CC4)C	5BE	3-methyl-5-[5-(1-methylethyl)-1h-benzimidazol-2-yl]-n-(1-methylpiperidin-4-yl)-1h-pyrazole-4-carboxamide
+c1ccc(cc1)C[C@@H](C=O)NC(=O)[C@@H]2Cc3ccc(cc3)OCCCCOc4ccc(cc4)CCC(=O)c5ccc([nH]5)C(=O)N2	5BF	(11s)-4,9-dioxo-n-[(2s)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)NC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)OC)C5CCCCC5	5BG	{3-[(1r)-1-[({(2s)-1-[(2s)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
+COc1cc(cc(c1OC)OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)NC4(CCCC4)C(=O)N	5BH	(2s)-n-(1-carbamoylcyclopentyl)-1-[(2s)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
+c1ccc2c(c1)cccc2c3cccc4c3cc([nH]4)C(=O)O	5BJ	4-(naphthalen-1-yl)-1h-indole-2-carboxylic acid
+c1cc(c2cc[nH]c2c1)c3cccc4c3cc([nH]4)C(=O)O	5BK	1h,1'h-4,4'-biindole-2-carboxylic acid
+c1ccc2c(c1)cccc2c3cc(cc4c3nc(cc4)C(=O)O)c5ccc[nH]5	5BL	8-(naphthalen-1-yl)-6-(1h-pyrrol-2-yl)quinoline-2-carboxylic acid
+c1ccc(c(c1)N)S/C(=C(\C#N)/C(=C(N)Sc2ccccc2N)C#N)/N	5BM	(2z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile
+c1cc([nH]c1)c2cc(c3c(ccc4c3c2C(=O)N4)F)NCCN	5BN	5-[(2-aminoethyl)amino]-6-fluoro-3-(1h-pyrrol-2-yl)benzo[cd]indol-2(1h)-one
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)CC)S(=O)(=O)N3CCN(CC3)C	5BO	5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+c1cc2c(cnn2nc1)c3ccnc(n3)NC4CC4	5BP	n-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
+CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)C2C(=O)CCCC2=O	5BQ	2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione
+CCCCCBr	5BR	1-bromopentane
+CN1c2ccsc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)S(=O)(=O)N)C	5BS	4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5h-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)CO)O	5BT	5-bromo-2'-deoxycytidine
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)Br	5BU	5-bromo-uridine-5'-monophosphate
+CCCCCC[C@H]([C@@H](C)C(=O)O)OC(=O)CN	5BV	(2r,3r)-3-(glycyloxy)-2-methylnonanoic acid
+c1ccc(c(c1)C(=O)/C=C/N2C[C@H]3C[C@@H]2CN3c4ccccn4)O	5BW	(2e)-1-(2-hydroxyphenyl)-3-[(1r,4r)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one
+C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)NC	5BX	(5s)-5-[(1r)-1-(1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5h)-one
+B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C/C=C/c2cn(nn2)CCOCCOCCOCC(=O)O)(O)O	5BY	{2-[2-(2-{4-[(1e)-4-{[(2s)-1-{[(1r)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid
+B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC#C)(O)O	5BZ	[(1~{r})-1-[[(2~{s})-2-(hex-5-ynoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid
+c1ccc(c(c1)C(=O)/C=C/N2[C@H]3CC[C@@H]2c4c(c(ncn4)NC5CC5)C3)O	5C0	(2e)-3-[(6s,9r)-4-(cyclopropylamino)-6,7,8,9-tetrahydro-5h-6,9-epiminocyclohepta[d]pyrimidin-10-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one
+c1ccc(c(c1)c2cnc(o2)C(=O)NO)Cl	5C1	5-(2-chlorophenyl)-n-hydroxy-1,3-oxazole-2-carboxamide
+CC(C)n1c2c(cc(cn2)C(=O)NCc3coc(n3)c4cccs4)cn1	5C2	1-(propan-2-yl)-n-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
+c1ccc(cc1)S(=O)(=O)NC(=O)C2CCC(CC2)CN	5C3	4-(aminomethyl)-n-(benzenesulfonyl)cyclohexanecarboxamide
+CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4	5C4	4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol
+COc1ccc(cc1)C2(c3ccccc3CCc4c2cccc4)SC[C@@H](C(=O)O)N	5C5	(2r)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid
+CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc5c4cccc5	5C6	4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol
+CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)C(C)(C)C	5C7	4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol
+CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc4ccccc4c3	5C8	4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol
+CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc(c4)C	5C9	4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CS)N)O)O)N	5CA	5'-o-(n-(l-cysteinyl)-sulfamoyl)adenosine
+c1ccnc(c1)CCNC2=NCC(N(C2O)CC(=O)NCc3csc4c3cc(cc4)Cl)Cl	5CB	n-(5-chloro-benzo[b]thiophen-3-ylmethyl)-2-[6-chloro-oxo-3-(2-pyridin-2-yl-ethylamino)-2h-pyrazin-1-yl]-acetamide
+CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4	5CC	4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N	5CD	5'-chloro-5'-deoxyadenosine
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3C(F)(F)F)O	5CE	(1s,3ar,5s,7as)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1h-inden-1-ol
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)F	5CF	5-fluorocytidine 5'-(dihydrogen phosphate)
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N=C(NC2=O)N	5CG	5'-chloro-5'-deoxy-guanosine
+Cc1ccc(cn1)c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C	5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC(=O)C(CC(=O)O)(CC(=O)O)O)O)O)N	5CI	8-bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3cc(c(c(c3F)F)O)F	5CJ	(1s,3ar,5s,7as)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1h-inden-1-ol
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(c(c3F)F)O	5CK	(1s,3ar,5s,7as)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol
+c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	5CL	1,2,3,4,5-pentachlorobenzene
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5CM	5-methyl-2'-deoxy-cytidine-5'-monophosphate
+CC1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(o3)C#N)CO	5CN	5-cyano-furan-2-carboxylic acid [5-hydroxymethyl-2-(4-methyl-piperidin-1-yl)-phenyl]-amide
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Cl)CC)S(=O)(=O)N3CCN(CC3)C	5CO	5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+CNc1cc(nc(n1)Nc2ccc(cc2)CC#N)Nc3cc([nH]n3)C4CC4	5CP	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
+Cc1cc(ccc1[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]3O)C)O	5CQ	(1s,3ar,5s,7as)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1h-inden-1-ol
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)O	5CR	n-acetyl-l-phenylalanine
+C1C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	5CS	2-amino-3-(cystein-s-yl)-isoxazolidin-5-yl-acetic acid
+C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N	5CT	hypusine
+C1=C(C(=O)NC(=O)N1)C(=O)O	5CU	2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
+CC(C)(CN(C)C)COc1ccc2c(c1)cc([nH]2)C3=CC(=CNC3=O)NC(=O)c4cnn(c4)Cc5ccccc5	5CV	1-benzyl-n-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1h-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1h-pyrazole-4-carboxamide
+c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)O)N	5CW	5-chloro-l-tryptophan
+CC(C)c1ccccc1c2ccc(cc2)S(=O)(=O)N	5CX	2'-(propan-2-yl)biphenyl-4-sulfonamide
+CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3CCCO)(C)C)CCCO)C	5CY	1-(3-hydroxypropyl)-2-{(1e,3e,5e)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2h-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3h-indolium
+[H]/N=C(\c1ccc(cc1)Oc2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N	5CZ	2-[4-(4-carbamimidoylphenoxy)phenyl]-1h-indole-6-carboximidamide
+c1cc(ccc1C2=NCCCN2)OCCCCCOc3ccc(cc3)C4=NCCCN4	5D0	2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine
+Cc1cccc(c1)CN2CCC(CC2)CNC(=O)CCCOC3=CC(=O)N(c4c3cccc4)C	5D1	n-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
+Cc1nnc2n1nc(cc2)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(c5)Cl	5D2	n-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
+CC(=O)NCCCCCCNC(=O)C	5D4	n-(6-acetamidohexyl)acetamide
+C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	5D5	2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
+C/C(=C\c1ccc(cc1)N(C)C)/C(=O)N[C@H]2[C@H]([C@H]3[C@@H]([C@@H]([C@H]2O)O)O[C@@H](O3)O[C@@H]([C@H](CO)O)C(=O)O)N(C)C	5D6	orthoformimycin
+[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)C(=O)OCC=C)N	5D7	prop-2-en-1-yl 2-[(1s)-1-amino-4-carbamimidamidobutyl]-1,3-thiazole-4-carboxylate
+[H]/N=C(\N)/NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)N	5D8	ethyl 2-(2-{2-[(1s)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate
+[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)NC	5D9	ethyl 2-(2-{2-[(1s)-4-carbamimidamido-1-(methylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate
+[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)c4nc(c(o4)C)c5ncc(o5)C)NC	5DA	1-[(4s)-4-(4-{4-[4-(5,5'-dimethyl-2,4'-bi-1,3-oxazol-2'-yl)-1,3-thiazol-2-yl]-5-methyl-1,3-oxazol-2-yl}-1,3-thiazol-2-yl)-4-(methylamino)butyl]guanidine
+CC1=CN(C(=O)N=C1OC)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5DB	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methoxy-5-methylpyrimidin-2(1h)-one
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	5DD	[(2~{r},3~{s},4~{s})-5-[(4~{a}~{r})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CCOC(=O)c1c(nn(c1C)c2ccc(cc2)N)C	5DE	1-(4-aminophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
+CS(=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(cc3)O	5DF	4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol
+CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(cc4)F	5DG	4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol
+c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N	5DH	3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile
+C1C(=O)[C@H]([C@@H]([C@@](O1)(CO)F)O)O	5DI	alpha-d-threo-hexo-2,5-diulo-2,6-pyranosyl fluoride
+c1ccc(cc1)C=C(c2ccc(cc2)O)c3ccc(cc3)O	5DJ	4,4'-(2-phenylethene-1,1-diyl)diphenol
+[H]/N=C(\N)/NCCC[C@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	5DK	(e)-n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-d-arginine
+c1ncn(n1)C[C@@H](CP(=O)(O)O)O	5DL	[(2s)-2-hydroxy-3-(1h-1,2,4-triazol-1-yl)propyl]phosphonic acid
+CSCC[C@H](C(=O)O)NC[C@H](Cc1ccccc1)N	5DM	n-[(2s)-2-amino-3-phenylpropyl]-d-methionine
+c1cc(cc(c1)Br)c2cc(c3cccc(c3n2)F)C(=O)O	5DN	2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid
+C1CC(=O)N(C1=O)CCCCC(=O)NCCOCCOCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)O)O	5DP	5-(2,5-dioxopyrrolidin-1-yl)-n-[2-(2-{2-[(4-o-alpha-d-idopyranosyl-alpha-d-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide
+c1cc(ccc1c2[nH]c3c(ccnc3n2)S(=O)(=O)NC4CCCC4)C(F)(F)F	5DQ	n-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-imidazo[4,5-b]pyridine-7-sulfonamide
+CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccccc3	5DR	6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
+CN(C)c1nnc(s1)[C@H](N)S(=O)(=O)N	5DS	(r)-1-amino-1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide
+c1ccc(cc1)CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NCc3ccccc3)F	5DT	2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide
+c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)N)F)F)SCCO)F	5DU	2-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
+Cc1cc(cc(c1)[P@](=O)(c2c3cc(ccc3[nH]c2C(=O)N)Cl)OC)CCC#N	5DV	methyl (r)-(2-carbamoyl-5-chloro-1h-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate
+C#Cc1ccc(cc1)C[C@@H](C(=O)O)N	5DW	4-ethynyl-l-phenylalanine
+c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)Br	5DX	5-[(2r)-2-amino-2-carboxyethyl]-1-(4-bromophenyl)-1h-pyrazole-3-carboxylic acid
+c1cc(ccc1CCCF)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N	5DY	5-[(2r)-2-amino-2-carboxyethyl]-1-[4-(3-fluoropropyl)phenyl]-1h-pyrazole-3-carboxylic acid
+c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)F	5DZ	5-[(2r)-2-amino-2-carboxyethyl]-1-(4-fluorophenyl)-1h-pyrazole-3-carboxylic acid
+c1ccc(cc1)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N	5E0	5-[(2r)-2-amino-2-carboxyethyl]-1-phenyl-1h-pyrazole-3-carboxylic acid
+c1ccc2c(c1)c(cc(n2)c3cccc(c3)Br)C(=O)O	5E1	2-(3-bromophenyl)quinoline-4-carboxylic acid
+c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O	5E2	2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid
+c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Br	5E4	2-[(3-bromophenyl)amino]benzoic acid
+Cc1c2cc(ncc2n[nH]1)c3cccnc3	5E5	3-methyl-5-(pyridin-3-yl)-2h-pyrazolo[3,4-c]pyridine
+c1cc(nc(c1)N[C@H]2CCC[C@@H](C2)N)c3c4cc(ncc4[nH]n3)c5cccnc5	5E6	(1s,3s)-n-{6-[5-(pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)O	5E7	n-[(2s,3r)-3-hydroxy-4-({(2s,3s)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](C)Cc2ccccc2	5E8	ethyl (2z,4s)-4-{[(2s)-2-methyl-3-phenylpropanoyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)N	5E9	ethyl (2z,4s)-4-{[(2r,5s)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN4CCOCC4	5EA	5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-n-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC3CC3	5EB	ethyl (2z,4s)-4-{[n-(3-cyclopropylpropanoyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(C)C	5EC	ethyl (2z,4s)-4-{[n-(3-methylbutanoyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCCC3CC3	5ED	ethyl (2z,4s)-4-[(n-{[(2-cyclopropylethyl)amino](oxo)acetyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+c1cc(sc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(c(c3)Cl)Cl	5EE	5r-(3,4-dichlorophenylmethyl)-3-(2-thiophenesulfonylamino)-4-oxo-2-thionothiazolidine
+c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	5EF	3-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+c1ccc(c(c1)OCc2nnnn2CC(=O)NNC(=O)Nc3ccc(cc3)Cl)Cl	5EG	2-({5-[(2-chlorophenoxy)methyl]-1h-tetrazol-1-yl}acetyl)-n-(4-chlorophenyl)hydrazinecarboxamide
+CN(C)CC/C=C/1\c2ccccc2COc3c1cccc3	5EH	(3e)-3-(dibenzo[b,e]oxepin-11(6h)-ylidene)-n,n-dimethylpropan-1-amine
+CCOC1=NC(=O)N(C=C1C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5EJ	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-ethoxy-5-methylpyrimidin-2(1h)-one
+c1ccc(c(c1)c2nnnn2CC(=O)NNC(=O)Nc3ccc4ccn(c4c3)c5ccccc5Cl)Cl	5EK	n-[1-(2-chlorophenyl)-1h-indol-6-yl]-2-{[5-(2-chlorophenyl)-1h-tetrazol-1-yl]acetyl}hydrazinecarboxamide
+c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)NCc5ccncc5	5EL	4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)-n-(pyridin-4-ylmethyl)benzamide
+CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)N	5EM	n-[(2s)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide
+C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)(C(F)F)O	5EN	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3s)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
+CCCOc1ccc(cc1C2=NC(=CC(=O)N2)CC)S(=O)(=O)N3CCN(CC3)C	5EO	6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+CC[C@H](C)[C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N	5EP	n~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n-hydroxy-l-isoleucinamide
+c1cc2c(cc[nH]2)cc1C(=O)C=C(C(=O)O)O	5EQ	(2z)-2-hydroxy-4-(1h-indol-5-yl)-4-oxobut-2-enoic acid
+c1ccc2c(c1)c(c[nH]2)C(=O)/C=C(/C(=O)O)\O	5ER	(2z)-2-hydroxy-4-(1h-indol-3-yl)-4-oxobut-2-enoic acid
+c1cc(cc(c1)Nc2ccc(cc2)F)C=C(c3ccc(cc3)O)c4ccc(cc4)O	5ES	4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
+c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O	5ET	4,4'-thiene-2,5-diylbis(3-chlorophenol)
+Cc1cc(sc1c2ccc(cc2Cl)O)c3ccc(cc3Cl)O	5EU	4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol)
+Cc1cc2ccc(cc2n1c3ccccc3Oc4ccccc4)Nc5nccc(n5)NC	5EV	n~4~-methyl-n~2~-[2-methyl-1-(2-phenoxyphenyl)-1h-indol-6-yl]pyrimidine-2,4-diamine
+Cc1cc2ccc(cc2n1c3cc(cnc3Cl)C4=C(C=CN(C4=O)C)C)Nc5nccc(n5)NC	5EW	6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1h-indol-1-yl)-3,3'-bipyridin-2(1h)-one
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCC3CCC3	5EX	ethyl (2z,4s)-4-[(n-{[(cyclobutylmethyl)amino](oxo)acetyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+c1ccc\2c(c1)C[C@H](/C2=C/c3ccc4c(c3C(=O)O)O[C@@H](CO4)CCC(=O)O)O	5EY	(3r)-3-(3-hydroxy-3-oxopropyl)-6-[(e)-[(2r)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1c2c(cc(c1OC[C@@H]3CCNC3)Cl)C(=O)NC=C2	5EZ	7-choro-6-[(3r)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CF)O)N	5F1	5'-fluoro-2',5'-dideoxyadenosine
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C	5F2	ethyl (2z,4s)-4-[(n-acetyl-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3	5F3	3,5-di(pyridin-4-yl)benzoic acid
+CNC(=O)c1cc(c[nH]1)C(=O)c2c(cccc2Cl)Cl	5F4	4-(2,6-dichlorobenzoyl)-n-methyl-1h-pyrrole-2-carboxamide
+c1cc(cc(c1)C(=O)O)c2nccs2	5F5	3-(1,3-thiazol-2-yl)benzoic acid
+c1cc(c(c(c1)Cl)C(=O)c2ccc3c(c2)cccn3)Cl	5F6	(2,6-dichlorophenyl)(quinolin-6-yl)methanone
+CN(c1ccc2c(c1)c(ccn2)OC)c3c(cccc3Cl)Cl	5F7	n-(2,6-dichlorophenyl)-4-methoxy-n-methylquinolin-6-amine
+c1cc(cc(c1)C(=O)O)c2cccnc2	5F8	3-(pyridin-3-yl)benzoic acid
+CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	5F9	arachinoyl-coa
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N	5FA	adenosine-5'-pentaphosphate
+COc1cc(ccc1Oc2ccc(cc2C(F)(F)F)C#N)C[C@@H]3C(=O)NC(=O)S3	5FB	4-(4-{[(5r)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)O)O	5FC	5-formyl-2'-deoxy-cytidine-5'-monophosphate
+[H]/N=C/1\C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O	5FD	5'-fluoro-5'-deoxyadenosine
+C[C@@H](C(=O)N[C@H]([C@H](CC(=O)OC)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	5FE	5,5,5-trifluoro-3-hydroxy-4-[2-(5,5,5-trifluoro-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid methyl ester
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)OC)N2)C(F)(F)F	5FF	(5r,7s)-5-(4-ethylphenyl)-n-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(cc1)C[C@H]2C(=O)NC(=O)N2	5FH	(5s)-5-benzylimidazolidine-2,4-dione
+CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F	5FI	2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1h-benzimidazole
+CC(C)(C)NC(=O)c1cncn1C2CCN(CC2)c3ccc(cn3)c4nnc(o4)C(F)(F)F	5FJ	n-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1h-imidazole-5-carboxamide
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cn4)F)N2)C(F)(F)F	5FK	(5r,7s)-5-(4-ethylphenyl)-n-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1cc(cc(c1)C(=O)O)c2ccncc2	5FL	3-(pyridin-4-yl)benzoic acid
+CC1=N[C@@H]2[C@H]([C@@H]([C@](O[C@@H]2O1)(CO)F)O)O	5FN	(3as,5s,6s,7r,7ar)-5-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]oxazole-6,7-diol
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)F)CC)S(=O)(=O)N3CCN(CC3)C	5FO	6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+C[C@@H](C(=O)N[C@H]([C@H](CC(=O)O)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	5FP	5,5,5-trifluoro-3-hydroxy-4-[2-(5,5,5-trifluoro-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid
+CCCCCNC(=O)[C@H](C)N	5FQ	n-pentyl-l-alaninamide
+Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)CCC(=O)N)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C	5FR	4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1h-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-n-(1-methylpipe ridin-4-yl)benzamide
+Cc1cc(ccc1C2=CS(=O)(=O)C=C2c3ccc(cc3C)O)O	5FS	3,4-bis(4-hydroxy-2-methylphenyl)-1h-1lambda~6~-thiophene-1,1-dione
+Cc1cc(ccc1O)C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(c(c5)C)O	5FT	phenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F	5FU	5-fluoro-uridine-5'-monophosphate
+Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(cc5C)O)O	5FV	phenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
+CC(C)NC[C@@H](c1ccc(c(c1)O)O)O	5FW	isoprenaline
+C([C@H]([C@@H](C(=O)CO)O)O)F	5FX	5-deoxy-5-fluoro-d-xylulose
+Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccc(cc4)O)c5ccc(cc5C)O)O	5FY	4-hydroxyphenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
+CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	5G0	(z)-[(3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] n-phenylcarbamate
+c1ccc(c(c1)C(=O)NN)Cl	5G1	2-chlorobenzohydrazide
+c1cc(c(cc1O)Cl)C2=CS(=O)(=O)C=C2c3ccc(cc3Cl)O	5G2	3,4-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~6~-thiophene-1,1-dione
+c1ccc(c(c1)/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O)Cl	5G3	4-[(e)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
+Cc1ccccc1/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O	5G4	4-{(e)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol
+c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3)O)Cl	5G5	4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol
+c1ccc(cc1)N=C(c2ccc(cc2)O)c3ccc(cc3)O	5G6	4,4'-(phenylcarbonimidoyl)diphenol
+Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3)O	5G7	4,4'-[(2-methylphenyl)carbonimidoyl]diphenol
+c1cc(c(cc1Cl)Cl)OCCCCCn2ccnc2	5G8	1-[5-(2,4-dichlorophenoxy)pentyl]-1h-imidazole
+c1cc(cc(c1)Cl)c2c(sc(n2)N)c3ccc4c(n3)cccn4	5G9	4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
+c1cc2c(ccc(n2)c3c(nc(s3)N)c4ccc(c(c4)Cl)F)nc1	5GA	4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
+Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4	5GB	4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
+CC(C)S(=O)(=O)c1c(n[nH]c1SC)N	5GC	5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1h-pyrazol-3-amine
+Cc1cc(cc(c1OCCN2CCCC2)C)C3=Nc4cc(cc(c4C(=O)N3)OC)OC	5GD	2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3h)-one
+C([C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O	5GF	5-fluoro-beta-d-glucopyranose
+C(CCNCCCCN)C[C@@H](C(=O)O)N	5GG	deoxyhypusine
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)CCc2ccccc2	5GH	ethyl (4s)-5-[(3s)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate
+Cc1cc(no1)C(=O)N[C@@H](Cc2ccc(cc2)F)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C=O	5GI	~{n}-[(2~{s})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
+c1ccc(cc1)C2(CC2)C(=O)N3CCC[C@H](C3)O	5GJ	[(3r)-3-hydroxypiperidin-1-yl](1-phenylcyclopropyl)methanone
+c1cc(cc(c1)C(F)(F)F)C2CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4	5GK	5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1h)-one
+CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C	5GL	4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{h}-cyclopenta[d]pyrimidin-2-one
+CC[C@H](C)C[C@@](C)(C(=O)O)N	5GM	(4s)-2,4-dimethyl-l-norleucine
+Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cc(cc4)Br)C	5GN	n-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)OS(=O)(=O)O)O)O	5GO	4-o-(3-o-sulfo-beta-d-galactopyranosyl)-beta-d-glucopyranose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	5GP	guanosine-5'-monophosphate
+CC1=CN2CC(CN=C2C=C1)O	5GQ	7-methyl-3,4-dihydro-2~{h}-pyrido[1,2-a]pyrimidin-3-ol
+Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4cn(nn4)Cc5ccccc5)C	5GR	n-(5-{3-[(1-benzyl-1h-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
+C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)O	5GS	2'-c-methyluridine 5'-(trihydrogen diphosphate)
+c1cc2c(cc1C(F)(F)F)NC(=O)CN2	5GT	7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1h)-one
+c1cc2c(cc1Br)NC(=O)CN2	5GU	7-bromo-3,4-dihydroquinoxalin-2(1h)-one
+CC[C@@H]1C(=O)Nc2cc(ccc2N1)C(=O)O	5GV	(2r)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
+c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	5GW	5-phenyluridine 5'-(trihydrogen diphosphate)
+Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5ccccc5	5GX	7-(1-benzyl-1h-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridine
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CF)O)CCOP(=O)(O)OP(=O)(O)O	5GY	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1r)-2-fluoro-1-hydroxyethyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Oc2c(cccc2Cl)[N+](=O)[O-]	5GZ	4-(2-chloro-6-nitrophenoxy)-n-[2-(diethylamino)ethyl]benzenesulfonamide
+c1ccc(cc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(cc3)Br	5H	5r-(4-bromophenylmethyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine
+CC(=O)O[C@H]1[C@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC	5H0	(2r,3r)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate
+c1cc2c(cc[nH]2)cc1O	5H1	1h-indol-5-ol
+COC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)c4nncn4c5ccccc5Cl	5H2	methyl {2-[4-(2-chlorophenyl)-4h-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate
+[H]/N=C(\c1cccs1)/Nc2cccc(c2)CNCCc3cccc(c3)F	5H3	n-[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide
+[H]/N=C(\c1cccs1)/Nc2cccc(c2)CN(CC)CCc3cccc(c3)F	5H4	n-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide
+C[C@@H](C(=O)N)Oc1ccc-2c(c1)OCCn3c2nc(c3)c4ncnn4C(C)C	5H5	(2s)-2-({2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide
+c1cc(sc1c2cc(no2)C(=O)O)Cl	5H6	5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
+C[C@H]1C[C@H](C[C@H](C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	5H7	n-{4-[(1r,3s,5s)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
+CC(C)C[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	5H8	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-3-methyl-l-valine
+CC(C)C[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	5H9	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-4-methyl-l-leucine
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CC4)O	5HA	n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]isophthalamide
+CN(C[C@@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3	5HB	n-{[(3r)-1-benzylpiperidin-3-yl]methyl}-n-methylnaphthalene-2-sulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)O)O	5HC	2'-deoxy-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)
+C(CCO)CC(CCCCO)CCO	5HD	5-(2-hydroxyethyl)nonane-1,9-diol
+CC\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@@H](CCCC(=O)O)O	5HE	(5r,6e,8z,11z,14z,17z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid
+COCCN(C[C@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3	5HF	n-{[(3s)-1-benzylpiperidin-3-yl]methyl}-n-(2-methoxyethyl)naphthalene-2-sulfonamide
+c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)O)N	5HG	{[2-(6-amino-9h-purin-9-yl)ethoxy]methyl}phosphonic acid
+c1ccc(cc1)CN2CCC[C@H](C2)CNS(=O)(=O)c3ccc4ccccc4c3	5HH	n-{[(3r)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide
+CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)N[C@H](CO)c3ccccc3	5HI	(3r,5r)-7-[2-(4-fluorophenyl)-4-{[(1s)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1h-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
+COc1ccc(cc1)[C@@H]2N(C(=O)CS2)C3CC3	5HJ	(2r)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
+CN(C)C(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)c4ccc(c(c4)OC)[N+](=O)[O-]	5HK	2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]-n,n-dimethylacetamide
+CCc1cccc2c1NC(=O)C(=C2)CNC3CC3	5HL	3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1h)-one
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)CO	5HM	5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)
+c1c(cncc1O)C(=O)O	5HN	5-hydroxypyridine-3-carboxylic acid
+c1cc(ncc1Cl)NC(=O)C(=O)N2CCCC2	5HO	n-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide
+C1CC(=O)N[C@@H]1C(=O)O	5HP	pyroglutamic acid
+c1cc(oc1)c2ccc(cn2)CN	5HQ	1-[6-(furan-2-yl)pyridin-3-yl]methanamine
+c1ccc(cc1)CNC[C@H](N)P(=O)(O)O	5HR	[(1r)-1-amino-2-(benzylamino)ethyl]phosphonic acid
+Cc1conc1CCc2cccnc2	5HS	3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)O	5HT	5-hydroxy-thymidine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O	5HU	5-hydroxymethyluridine-2'-deoxy-5'-monophosphate
+CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCc5ccc(cc5)F	5HV	n-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1h-cyclopenta[d]pyrimidin-1-yl}-n-{[ 4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide
+C[C@@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1	5HW	4,4'-{[(3r)-3-methylcyclohexylidene]methanediyl}diphenol
+c1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O	5HX	4-[(e)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol
+C([C@@H]1C(=O)NC(=O)N1)C(=O)O	5HY	[(4r)-2,5-dioxoimidazolidin-4-yl]acetic acid
+c1cc(ccc1C(=C2C3CCCC2CCC3)c4ccc(cc4)O)O	5HZ	4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol
+CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CCC[C@H](C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl	5I1	n-[4-[(3r)-3-[[5-chloranyl-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
+c1cc(c(c(c1)NS(=O)(=O)c2cc(ccc2F)F)F)c3c(sc(n3)[C@@H]4COCCN4)c5ccnc(n5)N	5I4	~{n}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{s})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide
+C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c3c2ncnc3N)I)O)O	5I5	7-(5-deoxy-beta-d-ribofuranosyl)-5-iodo-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+COc1ccc(cc1NC(=O)c2cccc3c2oc4c3cccc4)C(=O)NO	5IB	~{n}-[2-methoxy-5-(oxidanylcarbamoyl)phenyl]dibenzofuran-4-carboxamide
+C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)I	5IC	5-iodo-cytidine-5'-monophosphate
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I	5ID	(2r,3r,4s,5r)-2-(4-amino-5-iodo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCCOC	5IG	6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2,2-dimethyl-2h-1,4-benzoxazin-3(4h)-one
+C[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O	5II	methyl 2-deoxy-2-methyl-alpha-d-mannopyranoside
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)C)\C)OC)(NC(=O)O2)O	5IJ	(1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate
+CN(Cc1ccccc1)Cc2ccc(cc2)COc3ccc4c(c3)OC(=O)C=C4CO	5IK	4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one
+c1c(nc(s1)N2CCCCC2)N	5IM	2-(1-piperidinyl)-1,3-thiazol-4-amine
+c1ccc(cc1)COC[C@@H](C(=O)NCc2ccc(cc2)C(=N)N)NC(=O)[C@@H](CO)NS(=O)(=O)Cc3ccccc3	5IN	n-(benzylsulfonyl)-l-seryl-n~1~-{4-[amino(imino)methyl]benzyl}-o-benzyl-l-serinamide
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)I)CC)S(=O)(=O)N3CCN(CC3)C	5IO	6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+C1([C@@H]([C@H](C([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	5IP	(1r,2r,3r,4r,5s,6s)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]
+c1cc2cnccc2c(c1)N	5IQ	isoquinolin-5-amine
+c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)[N-]4CC[NH2][Ir+3]4	5IR	[n-(4-{[2-(amino-kappan)ethyl]sulfamoyl-kappan}phenyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(iii)
+C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)OC	5IS	(1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O	5IT	5-iodo-thymidine-5'-phosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O	5IU	5-iodo-2'-deoxyuridine-5'-monophosphate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3	5IW	(2s)-4-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2s)-3-phenyl-2-[[(e)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)Cc5ccccc5)C)\C)OC)(NC(=O)O2)O	5IX	(1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate
+CC[C@H](C)[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	5IZ	(2s,3s)-3-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(e)-3-phenylprop-2-enoyl]amino]pentanamide
+c1cc(cc(c1)O)C(=C2C3CCCC2CCC3)c4ccc(cc4)O	5J0	3-[(e)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol
+c1cc(ccc1C(c2ccc(cc2)O)C3C4CCCC3CCC4)O	5J1	4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol
+c1cc(ccc1/C(=N\c2ccc(cc2)F)/c3ccc(cc3O)O)O	5J2	4-[(e)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
+c1cc2c(cc1NC3=CC=C3)sc(n2)c4nc(cs4)O	5J4	2-[6-(cyclobuta-1,3-dien-1-ylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-ol
+c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O	5J5	2-[(chloroacetyl)amino]-5-[(e)-(4-sulfophenyl)diazenyl]benzenesulfonic acid
+COC(=O)c1c(nc(nc1c2ccc(cc2Br)F)c3nccs3)CN4CCOCC4	5J6	methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4cc(c(c(c4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/c6ccc(c(c6)O)O)O)O)O)O)O	5J7	5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4h-chromen-3-yl 6-deoxy-2-o-{6-o-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-d-glucopyranosyl}-alpha-l-mannopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CCCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N	5J8	[[(2r,3s,4r,5r)-5-(5-aminocarbonyl-3,4-dihydro-2h-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)CN5C=CC(=NC5=O)N	5J9	3'-{4-[(4-amino-2-oxopyrimidin-1(2h)-yl)methyl]-1h-1,2,3-triazol-1-yl}-3'-deoxyadenosine
+C[C@@H]1Cc2c(c(n(n2)C)c3ccccc3)-c4c1cnc(n4)Nc5ccn(n5)CCN6CCN(CC6)CCOC	5JA	(5r)-n-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1h-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5h-pyrazolo[3,4-h]quinazolin-2-amine
+C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C	5JB	(25s)-3-oxocholest-4-en-26-oyl-coa
+c1cc(c(cc1Cl)Cl)O	5JC	2,4-dichlorophenol
+c1cc(c(cc1O)Cl)Cl	5JD	3,4-dichlorophenol
+c1ccc2c(c1)[nH]c(n2)n3ccnc3	5JE	2-imidazol-1-yl-1h-benzimidazole
+c1cc(c(c(c1)Cl)Cl)O	5JF	2,3-dichlorophenol
+COc1cc(c(cc1OC)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	5JG	6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-n-(piperidin-4-ylmethyl)-3h-imidazo[4,5-b]pyridin-7-amine
+CCCCCCC(=O)O[C@H]1CC(=O)N(c2cc(cc(c2Cl)OC)C/C(=C/C=C/[C@H]([C@]3(C[C@H]([C@H]([C@H]4[C@]1(O4)C)C)OC(=O)N3)O)OC)/C)C	5JH	(1r,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate
+CCC#CCN(c1ccc2c(c1)c(ccn2)N)c3c(cccc3Cl)Cl	5JJ	n~6~-(2,6-dichlorophenyl)-n~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C	5JK	7alpha-hydroxycholesterol
+C12=C(NC(=S)N1)NC(=S)NC2=O	5JL	2,8-dithioxo-1,2,3,7,8,9-hexahydro-6h-purin-6-one
+c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)C(=O)O)NC(=O)/C=C/c3cc(ccc3n4cnnn4)Cl	5JM	4-[(n-{(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}-l-phenylalanyl)amino]benzoic acid
+Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)OCCO[N+](=O)[O-])C	5JN	2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate
+C#CCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	5JO	2'-o-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate)
+CN[C@@H](CO)C(=O)O	5JP	n-methyl-l-serine
+C12=C(NC(=O)N1)NC(=S)NC2=O	5JQ	2-thioxo-2,3,7,9-tetrahydro-1h-purine-6,8-dione
+CCC(=O)Nc1ccccc1Nc2ncc3c(n2)N(C(=O)N(C3)c4cc(cc(c4)OC)OC)CCCN5CCN(CC5)C(=O)CC	5JR	n-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4h-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide
+C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)Cc5ccccc5)C)\C)OC	5JS	(1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate
+c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)N	5JT	(3r)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
+Cc1c(cccn1)c2c3cc(ccc3sc2Cl)NC(=O)NCC(=O)NCCCN(C)[C@@H]4CCCN(C4)c5c6c(ncn5)N=CC6	5JU	n~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-n-(3-{methyl[(3r)-1-(5h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)CCC(=O)O)O	5JV	4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-4-enoic acid
+c1cc-2c(cc1Cl)C(=NOCC(=O)O)c3c2ccc(c3)Cl	5JW	{[(2,7-dichloro-9h-fluoren-9-ylidene)amino]oxy}acetic acid
+c1cc(ccc1C(=C2CCC(CC2)CF)c3ccc(cc3)O)O	5JX	4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol
+CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1	5JY	4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol
+CCOc1nc(nc(n1)n2cnc3c2cc(cc3)C(=O)N4CCCc5c4cccc5)N[C@@H](Cc6ccc7c(c6)COC(O7)(C)C)C(=O)NC	5JZ	n~2~-{4-[6-(3,4-dihydroquinolin-1(2h)-ylcarbonyl)-1h-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4h-1,3-benzodioxin-6-yl)-n-methyl-l-alaninamide
+CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1	5K0	4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol
+CS[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1	5K1	4,4'-{[(3s)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol
+c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2	5K2	4,4'-(3,4-dihydronaphthalen-2(1h)-ylidenemethanediyl)diphenol
+CO[C@@H](CCc1ccc(cc1)O)O	5K3	4-[(3s)-3-hydroxy-3-methoxypropyl]phenol
+CC[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1	5K4	4,4'-{[(3s)-3-ethylcyclohexylidene]methanediyl}diphenol
+c1cc(ccc1C(=C2CC[C@H]3CCCC[C@@H]3C2)c4ccc(cc4)O)O	5K5	4,4'-[(4ar,8ar)-octahydronaphthalen-2(1h)-ylidenemethanediyl]diphenol
+COC(=O)CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1	5K7	methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate
+COC(=O)C([C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1)C(=O)OC	5K8	dimethyl {(1s)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate
+c1cc(ccc1C(=C2CCC(CC2)CCOCCCCF)c3ccc(cc3)O)O	5KA	4,4'-({4-[2-(4-fluorobutoxy)ethyl]cyclohexylidene}methanediyl)diphenol
+c1ccc(cc1)[C@@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2	5KB	4,4'-{[(3r)-3-phenylcyclohexylidene]methanediyl}diphenol
+C([C@@H]([C@@H](C(=O)O)N)O)NCC(=O)O	5KC	(2s,3s)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid
+COc1ccc(cc1)[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2	5KD	4,4'-{[(3s)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol
+c1cc(ccc1[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2)O	5KE	4,4'-{[(3s)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol
+c1cc(ccc1C(=C2CCC[C@@H](C2)CCO)c3ccc(cc3)O)O	5KF	4,4'-{[(3s)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol
+c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O	5KG	4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol
+Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)c4cccc(c4)C(F)(F)F)O	5KH	n-(1-acetyl-1h-indol-3-yl)-n-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide
+C[C@@H]1[C@@H]2C=C([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)C)\C)OC)NC(=O)O2	5KI	(1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate
+[H]/N=C(\NO)/N(C)CCC[C@@H](C(=O)O)N	5KJ	n~5~-(n-hydroxycarbamimidoyl)-n~5~-methyl-l-ornithine
+C1CNCN2CNCCNCN(CN1)CNCCNC2	5KK	1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane
+CN(C)/C=C/C(=O)c1ccccc1O	5KL	(2e)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
+c1cc(cc2c1ccc(n2)CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)C(=O)O	5KM	2-[[(2~{r},3~{r},4~{r})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{h}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid
+c1cc(c(cc1N2CCOCC2)N3CCOCC3)N	5KN	2,4-di(morpholin-4-yl)aniline
+C[C@H](CC=O)O	5KO	(3r)-3-hydroxybutanal
+Cc1c(cccc1Cl)NC(=O)CCCN2C(=O)c3c(c(n(n3)c4ccccc4)C)C(=N2)C	5KP	n-(3-chloro-2-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6h-pyrazolo[3,4-d]pyridazin-6-yl)butanamide
+CC(=O)NC[C@@H]([C@@H]([C@H]1[C@@H]([C@H](C[C@@](O1)(C(=O)O)O)O)NC(=O)C)O)O	5KQ	(6r)-5-acetamido-6-[(1s,2s)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-l-threo-hex-2-ulopyranosonic acid
+Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)Br)C(=O)Nc3ccccc3C(=O)O	5KR	2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid
+c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6ccc(cc6)F)O)CO)O)F	5KS	3-deoxy-3-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-1-thio-beta-d-galactopyranoside
+c1cscc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6ccsc6)O)CO)O	5KT	3-deoxy-3-[4-(thiophen-3-yl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranoside
+CC(=O)N[C@H]1[C@@H](C=C(O[C@H]1[C@@H]([C@H](CO)O)OC(=O)NCCOCCOC)C(=O)O)N=C(N)N	5KU	(6r)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11r,12s)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-d-threo-hex-2-enonic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O	5KV	2-deoxy-6-o-sulfo-2-(sulfoamino)-beta-d-glucopyranose
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4ccccc4NC(=O)CCl)Cl	5KW	2-chloro-n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide
+c1cnc([nH]1)Cl	5KX	2-chloro-1h-imidazole
+Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)C(F)(F)F)C(=O)O	5KY	2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid
+CC(=O)OC[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C	5KZ	(1s)-2,3,4,6-tetra-o-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-d-allitol
+CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4cccc5n4ccn5	5L0	1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone
+CC(=O)OC[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)S(=O)(=O)N2C[C@@H](C[C@H]2C(=O)OC)OS(=O)(=O)N)O)O)O	5L2	methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carb  oxylate
+CC(=O)O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)CO)O)O	5L3	(6r)-5-o-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-l-glucitol
+c1cc(ccc1CCO)c2cnc(c(n2)C(=O)Nc3cnccc3N4CCOCC4)N	5L4	3-amino-6-[4-(2-hydroxyethyl)phenyl]-n-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide
+C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)CCCCC#C)C)\C)OC	5L5	(1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate
+CC(C)Oc1ccc(cc1)c2c[nH]cc2CN(C)CCN	5L6	n-methyl-n-({4-[4-(propan-2-yloxy)phenyl]-1h-pyrrol-3-yl}methyl)ethane-1,2-diamine
+Cc1c(cccc1OCc2cccnc2c3ccnn3C(C)C)O	5L7	2-methyl-3-({2-[1-(propan-2-yl)-1h-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol
+c1ccc(c(c1)C[C@@](Cn2cncn2)(C3(CC3)Cl)O)Cl	5L8	(2~{r})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
+c1ccc(c(c1)C[C@](Cn2cncn2)(C3(CC3)Cl)O)Cl	5L9	(2~{s})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
+c1c2cc(sc2[nH]c1C(=O)O)Cl	5LA	2-chloranyl-6~{h}-thieno[2,3-b]pyrrole-5-carboxylic acid
+c1c(nnn1CCN)C[C@@H](C(=O)O)N	5LB	(2~{s})-2-azanyl-3-[1-(2-azanylethyl)-1,2,3-triazol-4-yl]propanoic acid
+c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O	5LC	n,n'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)
+c1ncn(n1)C[C@H](CP(=O)(O)O)O	5LD	[(2r)-2-hydroxy-3-(1h-1,2,4-triazol-1-yl)propyl]phosphonic acid
+c1c(nnn1CCCN)C[C@@H](C(=O)O)N	5LE	(2~{s})-2-azanyl-3-[1-(3-azanylpropyl)-1,2,3-triazol-4-yl]propanoic acid
+c1c(nnn1CCCCCCN)C[C@@H](C(=O)O)N	5LF	(2~{s})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoic acid
+CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCn2cc(nn2)C[C@@H](C(=O)N1)NC(=O)OCc3ccccc3)CO	5LG	(phenylmethyl) ~{n}-[(8~{s},11~{s},14~{s})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate
+CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCn2cc(nn2)C[C@@H](C(=O)N1)NC(=O)OCc3ccccc3)CO	5LH	(phenylmethyl) ~{n}-[(9~{s},12~{s},15~{s})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate
+c1cc(c(c(c1)Cl)Cl)C(=O)NCCN(C=O)O	5LI	2,3-dichloro-n-{2-[formyl(hydroxy)amino]ethyl}benzamide
+c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO	5LJ	(phenylmethyl) ~{n}-[(12~{s},15~{s},18~{s})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate
+CN1CCN(CC1)c2cccc(c2)c3cnn4c3N=C[C@H](C4N)c5ccc(cc5)O	5LK	4-{(6r,7r)-7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl}phenol
+c1cc(oc1)/C=C/C=C2C(=O)NC(=O)NC2=O	5LL	5-[(e)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
+c1cc(sc1)/C=C/C=C2C(=O)NC(=O)NC2=O	5LM	5-[(e)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
+C(O)[Ru](CO)(O)(O)Cl	5LN	chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium
+CC1(CCC(c2c1cc3c(c2)O[C@H]4[C@@]3(CCC4)c5ccc(cc5)C(=O)O)(C)C)C	5LO	4-[(11s,15r)-4,4,7,7-tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid
+Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)Cl)C(=O)O	5LP	2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid
+CC1=C(S(=O)(=O)N=C1NCCCN2CCOCC2)c3cccc(c3)Cl	5LQ	5-(3-chlorophenyl)-4-methyl-~{n}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine
+CC1=C(S(=O)(=O)N=C1NCCCN2CCc3ccccc3C2)c4ccc(cc4)Cl	5LR	5-(4-chlorophenyl)-~{n}-[3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O	5LS	2,4-di-o-sulfo-alpha-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	5LT	3,4-di-o-sulfo-alpha-d-glucopyranose
+CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2	5LU	prochloraz
+CC1=Cc2c(cnc(c2NC1=O)NC3CCN(CC3)CCCN)c4cc(cnc4)CO	5LV	8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{h}-1,7-naphthyridin-2-one
+C[C@H]1CO[C@@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl	5LW	1-[[(2~{s},4~{s})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
+C[C@H]1CO[C@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl	5LX	1-[[(2~{r},4~{s})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
+C[C@@H]1CO[C@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl	5LY	1-[[(2~{r},4~{r})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
+C[C@@H]1CO[C@@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl	5LZ	1-[[(2~{s},4~{r})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
+Cc1ccc(c(c1)C(=O)O)N	5M0	2-azanyl-5-methyl-benzoic acid
+Cc1ccc([nH]1)C(=O)O	5M1	5-methyl-1h-pyrrole-2-carboxylic acid
+Cc1c2cc[nH]c2ccc1C(=O)/C=C(/C(=O)O)\O	5M2	(~{z})-4-(4-methyl-1~{h}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid
+Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)NC[C@H]4CCCO4	5M6	1-(4-chlorophenyl)-3-methyl-~{n}-[[(2~{r})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide
+c1ccc(cc1)c2c3cc(ccc3nc(c2C(=O)O)N4CCCCC4)Cl	5M7	6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
+Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O	5M8	6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid
+Cc1cc(c(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C)Cl	5M9	6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
+c1cc2c([nH]nc2nc1)Cn3c4ccc(c(c4nn3)Oc5cc(cc(c5Cl)CN)Cl)Cl	5MA	1-(2,5-dichloro-3-{[5-chloro-1-(2h-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1h-benzotriazol-4-yl]oxy}phenyl)methanamine
+Cc1ccc2c(c1)[nH]cn2	5MB	5-methylbenzimidazole
+CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	5MC	5-methylcytidine-5'-monophosphate
+CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O	5MD	2'-deoxy-1-methyl-pseudouridine
+C[C@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	5ME	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1r)-1-(pyridin-2-yl)ethyl]propanamide
+CCc1cnc(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C	5MF	8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
+c1ccc(cc1)c2c(nc([nH]2)Cl)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F	5MG	3-(2-chloranyl-5-phenyl-1~{h}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one
+CC1=CN(C(=S)C=C1)O	5MH	1-hydroxy-5-methylpyridine-2(1h)-thione
+Cc1ccc2c(c1)cc[nH]2	5MI	5-methyl indole
+CC1=C(CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(cc3)OC	5MJ	3-chloranyl-~{n}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide
+c1cc(c(cc1Cl)C(=O)N)N	5MK	2-azanyl-5-chloranyl-benzamide
+Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4cc5ccccc5nc4	5ML	3-methyl-~{n}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide
+CO[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	5MM	2-o-methyl-1,6-di-o-phosphono-d-mannitol
+Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4ccc5c(c4)cc[nH]5	5MN	~{n}-[5-(1~{h}-indol-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide
+Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4ccc5c(c4)CCO5	5MO	n-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
+Cc1cc[nH]c1	5MP	5-methylpyrrole
+Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4cccc5c4OCC5	5MQ	n-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
+c1ccc(cc1)c2cc(on2)C[C@H](C[P@@](=O)(c3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N	5MR	nalpha-{(2s)-3-[(s)-hydroxy(phenyl)phosphoryl]-2-[(3-phenylisoxazol-5-yl)methyl]propanoyl}-l-tryptophanamide
+Cc1ccc(cc1NS(=O)(=O)C)Nc2cc(ncn2)c3ccccc3	5MS	n-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
+C[C@@H](c1nc2ccc(cc2n1c3cccc(c3)S(=O)(=O)C)F)Nc4c(c(ncn4)N)C#N	5MT	4-azanyl-6-[[(1~{s})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	5MU	5-methyluridine 5'-monophosphate
+C[C@@H](c1ccc(cc1)C(=O)NCCC(=O)O)n2c(cc(n2)c3cc(cc(c3)Cl)Cl)c4ccc5cc(ccc5c4)OC	5MV	3-[[4-[(1~{s})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid
+c1c(nnn1CCC[C@@H](C(=O)O)N)CN	5MW	(2~{s})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid
+c1ccc(cc1)COC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N	5MX	benzyl (2-{[(2-amino-4-oxo-3,4-dihydropteridin-7-yl)carbonyl]amino}ethyl)carbamate
+C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	5MY	myo-inositol-(1,3,4,5,6)-pentakisphosphate
+c1cc(cc(c1)N)c2nc(on2)CCl	5MZ	3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline
+Cn1ccnc1C(=O)Nc2cn(c(n2)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCC[C@H](C(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCCN(C)CCCNC(=O)c9cccc(c9)C(=O)O)C)N)C	5N0	3-({3-[(3-{[4-({4-[(4-{[4-({(2r)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1h-imidazole-2-carbonyl)amino]-1h-imidazole-2-carbonyl}amino)-1h-pyrrole-2-carbonyl]amino}-1h-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1h-imidazole-2-carbonyl]amino}-1-methyl-1h-pyrrole-2-carbonyl)amino]-1-methyl-1h-pyrrole-2-carbonyl}amino)-1-methyl-1h-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc3c2OCO3)c4ccncc4	5N1	6-ethyl-5-[(3~{s})-3-(6-pyridin-4-yl-1,3-benzodioxol-4-yl)but-1-ynyl]pyrimidine-2,4-diamine
+c1ccc2c(c1)C(=NNC2=O)Cc3cccc(c3)C(=O)N4CCN(CC4)c5c(cccn5)C#N	5N2	2-[4-[3-[(4-oxidanylidene-3~{h}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile
+CC1(c2c(c(nc(n2)c3c[nH]nc3)Nc4c5cccc(c5[nH]n4)Cl)CO1)C	5N3	~{n}-(7-chloranyl-1~{h}-indazol-3-yl)-7,7-dimethyl-2-(1~{h}-pyrazol-4-yl)-5~{h}-furo[3,4-d]pyrimidin-4-amine
+CC1(c2c(c(nc(n2)c3ccnn3C)Nc4c5ccccc5[nH]n4)CO1)C	5N4	~{n}-(1~{h}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{h}-furo[3,4-d]pyrimidin-4-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N	5N5	5'-amino-5'-deoxyadenosine
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)O)O	5N6	9-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN4CCN(CCC(=O)Nc5ccc(cc5)C[C@H](C(=O)N2)NS(=O)(=O)NC6CCCCC6)CC4)/N	5N7	(13s,16r)-n-(4-carbamimidoylbenzyl)-16-((n-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide
+C[C@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)c3cccc(c3)C(C4=NNC(=O)c5c4cccc5)(F)F	5N8	4-[bis(fluoranyl)-[3-[[(6~{s})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{h}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{h}-phthalazin-1-one
+Cc1cccc2c1ccc(c2C(=O)O)O	5NA	2-hydroxy-5-methyl naphthoic acid
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N	5NB	5'-amino-8-bromo-5'-deoxyadenosine
+C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)COP(=O)(O)O)O	5NC	5-aza-cytidine-5'monophosphate
+c1ccc2cc(ccc2c1)C[C@@H]3C(=O)NC(=O)N3	5ND	5-(2-naphthylmethyl)-d-hydantoin
+Cc1cccc2c1cccc2C(=O)O	5NE	5-methylnaphthalene-1-carboxylic acid
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O	5NG	[[(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-4-[[3-[2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+CCCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N(C)C)NC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)[C@H](C4CCCCC4)NC(=O)OC(C)(C)C	5NH	1,1-dimethylethyl [1-cyclohexyl-2-[3-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]pentyl]amino]carbonyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]carbamate
+c1cc2c(cc1[N+](=O)[O-])cn[nH]2	5NI	5-nitroindazole
+Cc1c(c(c(cn1)COP(=O)(O)O)CCC(=O)CCC(=O)O)O	5NJ	6-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-4-oxidanylidene-hexanoic acid
+Cc1cccc2c1nc(n2Cc3c(ccc(n3)C)O)NC4CCN(CC4)CCN	5NK	2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
+c1ccc2cc(ccc2c1)C[C@H]3C(=O)NC(=O)N3	5NL	5-(2-naphthylmethyl)-l-hydantoin
+CS(=O)(=O)CCCn1c2ccc(cc2nc1CN3c4cnccc4N(C3=O)C5CC5)Br	5NM	3-[[5-bromanyl-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-imidazo[4,5-c]pyridin-2-one
+c1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2	5NN	5-amino-3-phenyl-1,2-dihydroisoquinolin-1-one
+c1ccc2c(c1)nc(n2CCCCO)CN3c4cnccc4N(C3=O)C5CC5	5NO	1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
+c1cc(cnc1)C(=O)N2CCN3[C@]2(c4cnccc4C3=O)c5ccc(cc5)Cl	5NP	(9~{b}~{r})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one
+CCCCc1c(nc2nc(nn2c1C)SCc3nc4c(n3CC)C(=O)NC(=O)N4CCCC)C	5NQ	3-butyl-8-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione
+c1ccc(cc1)CC2CCN(CC2)CCN	5NR	2-[4-(phenylmethyl)piperidin-1-yl]ethanamine
+c1cc2c(cccc2S(=O)(=O)O)c(c1)N	5NS	5-aminonaphthalene-1-sulfonic acid
+c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H](C[C@H](N3)CO)O	5NT	2-azanyl-7-[(2~{s},3~{r},5~{s})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
+C1=C(C(=O)NC(=O)N1)[N+](=O)[O-]	5NU	5-nitrouracil
+CCn1c(nc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl)CSc4[nH]nc(n4)N	5NV	8-[(3-azanyl-1~{h}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione
+CC(C)(C)CNc1c2c(ccn1)cnc(n2)Nc3ccc(cc3OC)c4cnn(c4)C	5NW	n2-(2-methoxy-4-(1-methyl-1h-pyrazol-4-yl)phenyl)-n8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
+c1cc(cc(c1)Cl)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNC5=C(C(=O)C5=O)O)O)O	5NX	3-[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{h}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione
+Cc1ccc2c(c1)c(c3n2C[C@](CC3)(c4ccccc4)NC(=O)c5ccc(cc5Cl)n6cnnc6)c7[nH]nnn7	5NY	2-chloranyl-~{n}-[(7~{s})-2-methyl-7-phenyl-10-(1~{h}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{h}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide
+c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N	5NZ	6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine
+c1cc(cc(c1)S(=O)(=O)Oc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl	5O0	4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid
+Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)NC5CCCCC5	5O1	~{n}8-cyclohexyl-~{n}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
+c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N	5O2	6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine
+c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl	5O3	4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid
+c1ccc(cc1)c2c3c(ccnc3c4ccoc4)n[nH]2	5O4	4-(furan-3-yl)-3-phenyl-2~{h}-pyrazolo[4,3-c]pyridine
+c1cc(c(cc1OCc2[nH]nnn2)Cl)Cl	5O5	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{h}-1,2,3,4-tetrazole
+C/C(=C\C(=O)O)/c1ccc(cc1)OC	5O6	(~{e})-3-(4-methoxyphenyl)but-2-enoic acid
+Cn1cc(cn1)c2c3c(ccn2)cnc(n3)Nc4ccc(cc4OC)OC	5O7	~{n}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
+c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNS(=O)(=O)C(F)(F)F)O)O	5O8	~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-1~{h}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-1,1,1-tris(fluoranyl)methanesulfonamide
+C[C@@H]1CN(C[C@@H](N1)C)c2ncc(c(n2)N)c3cccc(c3Cl)Cl	5OA	5-[2,3-bis(chloranyl)phenyl]-2-[(3~{r},5~{s})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine
+COc1ccc2c(c1)[nH]cn2	5OB	5-methoxybenzimidazole
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)O)COP(=O)(O)O)O	5OC	2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate)
+CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N	5OD	6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine
+Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)c5cnn(c5)C	5OE	~{n}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
+c1ccc2c(c1)C(=NNC2=O)CC(=O)O	5OF	2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanoic acid
+c1ccc(cc1)NS(=O)(=O)c2cccc(c2)/C=C/C(=O)NO	5OG	belinostat
+C1[C@@H](NC(=N[C@H]1O)N)[C@@H](C(=O)O)N	5OH	(2s)-amino[(4r,6s)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid
+CCc1c2cc(ccc2nc(n1)[C@H](CC(C)C)N)c3cnco3	5OI	(1s)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
+c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO	5OJ	4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{n}-oxidanyl-benzamide
+c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C#C/C=C/C(=O)NO	5OK	oxamflatin
+CC(NCCCC[C@@H](C(=O)O)N)(O)O	5OL	n~6~-(1,1-dihydroxyethyl)-l-lysine
+C1[C@H](O1)C(CCCCC[C@@H](C(=O)O)N)(O)O	5OM	(2s)-2-amino-8,8-dihydroxy-8-[(2s)-oxiran-2-yl]octanoic acid
+c1cc(cc(c1)COc2cccc(c2)/C=C/C(=O)O)CC(=O)O	5ON	(~{e})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid
+c1cc(c(cc1Cl)Cl)/C=C/C(=O)O	5OO	(~{e})-3-(2,4-dichlorophenyl)prop-2-enoic acid
+CCCCCC(=O)\C=C\[C@@H]1[C@@H](CC(=O)[C@H]1CC=CCCCC(=O)O)O	5OP	(5e,13e)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid
+Cn1cc(cn1)c2cccc3c2cc(nc3)Nc4ccc(cc4OC)OC	5OQ	~{n}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
+c1cc(ccc1c2c(n3cc(ccc3n2)O)I)O	5OR	2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol
+c1cc(c(cc1O)Cl)c2cocc2c3ccc(cc3Cl)O	5OS	3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol
+c1cc(cc(c1)I)NC(=S)Nc2ccc(cc2)S(=O)(=O)N	5OT	1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea
+CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl	5OU	3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione
+Cc1c(c(c(cn1)COP(=O)(O)O)/C(=N/[C@@H](CS)C(=O)O)/NCCCC[C@@H](C(=O)O)N)O	5OW	(2~{s})-2-azanyl-6-[[(~{z})-~{c}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{n}-[(2~{r})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid
+CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCC(=O)O	5OX	(7e,11z,14z,17z,20z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid
+C(C[C@@H](C(=O)O)N)CP(=O)(O)O	5OY	5-phosphono-l-norvaline
+CC(C)C=O	5OZ	2-methylpropanal
+c1cc(ccc1c2c(n3cc(ccc3n2)O)C(F)(F)F)O	5P1	2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol
+CCN1CC(C1)n2c(ccn2)c3cc(ccc3Oc4ccc(cc4C#N)S(=O)(=O)Nc5ncns5)C(F)(F)F	5P2	3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{n}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
+c1ccc(cc1)c2cc(c(c(c2)Cl)O)C(=O)O	5P3	5-chloro-4-hydroxybiphenyl-3-carboxylic acid
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccco3)NC(=O)OC(C)C	5P4	propan-2-yl ~{n}-[(2~{s},4~{r})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{h}-quinolin-4-yl]carbamate
+CCCC(=O)OC[C@H](CO[P@](=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC	5P5	(2r)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate
+CC(C)C[C@@H](c1cc(c2cc(ccc2n1)c3ccncc3)C#N)N	5P6	2-[(1s)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile
+c1ccc2c(c1)c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO	5P7	(1s,2r,3r,5r)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F	5P8	(10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile
+c1ccc2c(c1)[C@@H](CC2=O)C(=O)Nc3ccc(cn3)Cl	5P9	n-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1h-indene-1-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O	5PA	n-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-y-lmethyl]-1-amino-cyclopropanecarboxylic acid
+c1ccc(cc1)COc2ccc(cc2)N3C(=O)NN=C3SCC(=O)c4ccc(cc4)Cl	5PB	4-[4-(benzyloxy)phenyl]-5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,4-dihydro-3h-1,2,4-triazol-3-one
+CC#CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5PC	5(1-propynyl)-2'-deoxycytidine-5'-monophosphate
+CC(C)(COP(=O)O)[C@H](C(=O)NCCC(=O)NCCS)O	5PD	(r)-3-hydroxy-4-((3-((2-mercaptoethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl hydrogen phosphonate
+COc1cc(ccc1O)[C@@H]2N(C(=O)CS2)Cc3ccccn3	5PE	(2r)-2-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
+c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@H](C4CCCCC4)O	5PF	(1~{r})-1-cyclohexyl-2-[(5~{s})-6-fluoranyl-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanol
+CN[C@@H](c1ccc(cc1)O)C(=O)O	5PG	(2s)-(4-hydroxyphenyl)(methylamino)ethanoic acid
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCCCNS(=O)(=O)c1ccc(c(c1)C(=O)O)O)c2ccccc2	5PH	5-[5-(1-carboxymethyl-2-oxo-propylcarbamoyl)-5-phenyl-pentylsulfamoyl]-2-hydroxy-benzoic acid
+CCCOc1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N)NS(=O)(=O)CC	5PI	n-(ethylsulfonyl)-5-propoxy-l-tryptophyl-n~1~-{4-[amino(imino)methyl]benzyl}-l-glutamamide
+c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)CC(=O)C4CCCCC4	5PJ	1-cyclohexyl-2-[(5~{s})-6-fluoranyl-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanone
+c1ccc2c(c1)-c3cncn3[C@H]2C[C@H](C4CCCCC4)O	5PK	(1~{r})-1-cyclohexyl-2-[(5~{s})-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanol
+CCCCCCCCCCCCCCCCCCCNC(=O)[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)OP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C	5PL	(1r,4s,6r)-6-({[2-(acetylamino)-2-deoxy-alpha-d-glucopyranosyl]oxy}methyl)-4-hydroxy-1-{[(15-methylhexadecanoyl)oxy]methyl}-4-oxido-7-oxo-3,5-dioxa-8-aza-4-phosphaheptacos-1-yl 15-methylhexadecanoate
+c1ccnc(c1)\C=N\c2ccc(cc2)Sc3ccc(cc3)/N=C/c4ccccn4	5PM	4,4'-sulfanediylbis{n-[(1e)-pyridin-2-ylmethylidene]aniline}
+Cc1c(c2c(cn1)C(=O)OC2)O	5PN	7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1h)-one
+CCCCCc1ccc(c(c1)O)Oc2ccccc2	5PP	5-pentyl-2-phenoxyphenol
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC4=C(C(=O)C4=O)O)O)O	5PQ	3-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione
+Cc1c(c(c(cn1)C(=O)O)CO)O	5PR	5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F	5PS	(r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide
+c1cc(ccc1C[C@@H](CCC(=O)NO)C(=O)O)C(=O)O	5PU	4-[(2~{r})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid
+c1ccc(cc1)CCCCC(=O)O	5PV	5-phenylvaleric acid
+CC(=O)Nc1nc2ccc(cc2s1)[N+](=O)[O-]	5PW	n-(6-nitro-1,3-benzothiazol-2-yl)ethanamide
+c1cc2c(cc1O)S(=O)(=O)NCN2C3CC3	5PX	4-cyclopropyl-3,4-dihydro-7-hydroxy-2h-1,2,4-benzothiadiazine 1,1-dioxide
+CC1=CN(C(=O)N=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5PY	1-(2'-deoxy-5'-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methylpyrimidin-2(1h)-one
+[H]/N=C\1/N(c2ccccc2N1C[C@@H](c3ccc(c(c3)Cl)Cl)O)Cc4ccccc4C	5PZ	(1~{r})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol
+c1cc2c(cccn2)c(c1)O	5Q0	quinolin-5-ol
+c1cc(ccc1C[C@H](CCC(=O)NO)C(=O)O)C(=O)O	5Q1	4-[(2~{s})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid
+CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)NCCc4ccc(cc4)Cl	5Q2	4-[2-(4-chlorophenyl)ethylamino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide
+CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccnc(n4)N	5Q3	4-[(2-azanylpyrimidin-4-yl)amino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide
+CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccccc4OC	5Q4	4-[(2-methoxyphenyl)amino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide
+Cc1ccccc1NC(=S)N	5Q5	1-(2-methylphenyl)thiourea
+c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3cccc(c3O)O	5Q6	[2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone
+CC(C)Cc1nc(c(o1)N)C#N	5Q7	5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
+c1ccc(cc1)Cc2nc(c(o2)N)C#N	5Q8	5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile
+CC(=O)N(C)Cc1c(cccc1Cl)Cl	5Q9	~{n}-[[2,6-bis(chloranyl)phenyl]methyl]-~{n}-methyl-ethanamide
+c1cc(c(c(c1)Cl)CNC(=O)CO)Cl	5QA	~{n}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide
+CC(=O)NCc1c(cccc1OC)OC	5QB	~{n}-[(2,6-dimethoxyphenyl)methyl]ethanamide
+c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6ccc7c(c6)c(no7)N)C4=O	5QC	1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-{[(3r)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one
+CC(=O)NCc1c(cccc1Cl)Cl	5QD	~{n}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide
+C[C@@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C)C#N)CC(OC3)(C)C	5QE	~{n}-[4-[2-[[5-cyano-8-[(2~{s},6~{r})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]ethanamide
+CC1(Cc2c(c(nc(c2C#N)SCCc3ccc(c(c3)OC)OC)N4CCN(CC4)CCOC)CO1)C	5QF	6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
+CC1(Cc2c(c(nc(c2C#N)SCCc3ccccc3)N4CCOCC4)CO1)C	5QG	3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
+c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cccc(c3)c4ccccn4)O	5QH	~{n}-[(2~{s})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-pyridin-2-yl-benzamide
+CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC(F)F)c2cnco2)N	5QI	n-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-d-leucinamide
+Cn1cnc2c1cc(cc2)c3ccnc(c3)NC[C@@H](CN4CCc5ccccc5C4)O	5QJ	(2~{s})-1-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol
+c1ccc2c(c1)CCN(C2)C[C@@H](CNC(=O)COc3cccc4c3nccc4)O	5QK	~{n}-[(2~{r})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-2-quinolin-8-yloxy-ethanamide
+c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cccc(c3)NC4CCOCC4)O	5QL	~{n}-[(2~{s})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(oxan-4-ylamino)benzamide
+c1cc(cc2c1ccnc2)C#CCO	5QM	3-(isoquinolin-7-yl)prop-2-yn-1-ol
+CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCN=CC3)C(=O)C	5QN	methyl 2-[2-(3,5-dihydro-2~{h}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate
+Cc1c2nc3c(cccc3n1)-c4cc5c([nH]4)[C@@H](C/C=C\[C@H](N2)C)CNC5=O	5QO	 macrocyclic quinoxaline-pyrrolodihydropiperidinone
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O	5QP	(1r,2r,3s,5r,6s)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-d-glucopyranoside
+c1cc2cc(ccc2nc1)C(c3nnc4n3nc(cn4)c5ccc(cc5)F)(F)F	5QQ	6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
+CN1C=C(C=CC1=O)C(=O)Nc2cccc(c2)C(=O)O	5QR	3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid
+CC(C)(CNc1ncc(c(n1)CC2CC2)c3ccnc(n3)Nc4ccncc4)O	5QS	1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol
+CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S	5QT	2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{h}-1,2,4-triazin-6-yl)amino]ethanoate
+Cc1c(c(on1)C)[C@@H]2C[C@H](N[C@H](S2)N)c3cc(c(cc3F)F)c4cncnc4	5QU	(2~{r},4~{s},6~{s})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine
+Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3cc(c(cc3F)F)c4cncnc4	5QV	(4~{s},6~{s})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
+C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)N3CCOCC3	5QW	~{n}-[(2~{s})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{h}-1,5-benzothiazepine-7-carboxamide
+CN1c2ccccc2NCC1=O	5QX	1-methyl-3,4-dihydroquinoxalin-2-one
+C[C@H]1C(=O)Nc2ccccc2N1	5QY	(3~{s})-3-methyl-3,4-dihydro-1~{h}-quinoxalin-2-one
+CN(C)C(=O)c1cccc(c1)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	5QZ	5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid
+CC(C)(C)c1ccc(cc1)C(=O)O	5R0	4-~{tert}-butylbenzoic acid
+COc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N	5R1	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid
+CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@@H]5/C=C/CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6CC6	5R2	2-methyl-2-propanyl {(2r,6s,12z,13as,14ar,16as)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+COC(=O)[C@H](CO)N	5R5	methyl l-serinate
+C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7C[C@@H]([C@@H]([C@@]6(O7)C)O)N(C)C)O)C4=O)O)C(=O)OC)(C)O)O)O	5R6	nogalamycin ro
+C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N	5R7	(2~{s},3~{r})-3-methyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(sulfamoylamino)meth yl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CN1CCCN(CC1)Cc2ccc(cc2)CN	5R8	[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
+CN1CCCN(CC1)Cc2ccc3c(c2)cccn3	5R9	6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline
+CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(cc3C#N)CN4CCCN(CC4)C	5RA	5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile
+CCC[C@@H]1CCCCN1C(=O)c2cccc(c2)c3cccc(c3)n4c(c(cn4)C(=O)O)[C@@H]5C[C@H]5c6cn(nn6)C	5RB	5-[(1~{r},2~{r})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{r})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid
+CCc1c(cc(s1)C(=O)N[C@@H]2[C@@H](CCCC2(F)F)N)c3cnn4c3ncc(c4)C(F)(F)F	5RC	~{n}-[(1~{r},6~{r})-6-azanyl-2,2-bis(fluoranyl)cyclohexyl]-5-ethyl-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
+CCCCNCc1ccc(cc1)S(=O)(=O)N	5RD	4-(butylaminomethyl)benzenesulfonamide
+C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)F)NC(=O)Cc3cccc(c3)O	5RE	(2~{s})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{n}-[(1~{s})-1-phenylethyl]propanamide
+C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccccc2Br)NC(=O)Cc3ccc(cc3)OC	5RF	(2~{s})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{n}-[(1~{s})-1-phenylethyl]propanamide
+c1cc(c(cc1F)C(=O)O)N	5RG	2-amino-5-fluorobenzoic acid
+C[C@@H]1CCC[C@H](/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)Cc4ccccc4)C)O)O	5RH	cytochalasin b
+CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC	5RI	n-methyl-2-[[4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]benzamide
+CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O	5RL	6-methyl-5,6,6~{a},7-tetrahydro-4~{h}-dibenzo[de,g]quinoline-10,11-diol
+CCCOc1cc(ccc1OC)[C@@]2(CNC(=O)O2)C	5RM	(5r)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one
+CC(=O)c1c[nH]c2c1cccc2	5RN	1-(1~{h}-indol-3-yl)ethanone
+Cc1cccc2c1[nH]cc2C(=O)C	5RO	1-(7-methyl-1~{h}-indol-3-yl)ethanone
+C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O	5RP	ribulose-5-phosphate
+CCCC[C@@H]1CCCN1C(=O)[C@H]2CCC[C@H](C2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5	5RQ	1-[3-[(1~{r},3~{s})-3-[(2~{r})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid
+CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@]4(C[C@H]4CC)C(=O)NS(=O)(=O)C5CC5	5RS	~{tert}-butyl ~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[(1~{r},2~{r})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+Cn1ccc2c1cccc2S(=O)(=O)N(CC(F)(F)F)c3ccc4c(c3)CCCN4C(=O)c5cccs5	5RT	1-methyl-~{n}-(1-thiophen-2-ylcarbonyl-3,4-dihydro-2~{h}-quinolin-6-yl)-~{n}-[2,2,2-tris(fluoranyl)ethyl]indole-4-sulfonamide
+c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)F	5RU	2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one
+c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)N=C(N3)N)C#N	5RV	2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile
+c1cc(ccc1CSc2[nH]c3c(n2)N=C(NC3=O)N)F	5RW	2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one
+c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Cl	5RX	2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one
+c1cc(c(cc1C#N)F)CSc2[nH]c3c(n2)C(=O)NC(=N3)N	5RY	4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile
+c1cc(ccc1C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Br	5RZ	2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one
+CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)N	5S4	[(3~{r})-4-[[3-[2-[[(2~{s})-2-azanyl-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
+Cc1cc(c(cc1OC)C)CNC[C@H](c2ccccc2)NC(=O)c3cc(on3)C	5S5	~{n}-[(1~{s})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide
+Cc1cc(c(cc1OC)C)CNC[C@H](c2ccc(cc2)C#CCO)NC(=O)c3cc(on3)C	5S6	~{n}-[(1~{s})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
+CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)N)O)O	5S7	(2~{r},3~{r},4~{s},5~{s})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
+Cc1c(sc(n1)NC(=O)C2CCCC2)c3ccc(c(c3)S(Nc4ccc(cc4)O)(O)O)OC	5S8	~{n}-[5-[3-[[(4-hydroxyphenyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-4-methoxy-phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
+Cn1c(ccn1)C(=O)Nc2ccc(cc2F)F	5S9	~{n}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO	5SA	acarbose derived pentasaccharide
+CC(=O)Nc1ccc(c2c1nccc2)c3c[nH]nc3	5SB	~{n}-[5-(1~{h}-pyrazol-4-yl)quinolin-8-yl]ethanamide
+Cc1ccccc1c2cc(n3c(n2)c(cn3)Br)NCc4ccc[n+](c4)[O-]	5SC	3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide
+C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	5SD	5alpha-androstan-3,17-dione
+C[Se]C1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5SE	2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate)
+CC(C)NCCN(c1ccc2c(c1)nc(cn2)c3cnn(c3)C)c4cc(cc(c4)OC)OC	5SF	~{n}'-(3,5-dimethoxyphenyl)-~{n}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{n}-propan-2-yl-ethane-1,2-diamine
+c1cc2cnccc2c(c1)O	5SG	isoquinolin-5-ol
+c1ccc(cc1)c2ccncc2	5SH	4-phenylpyridine
+Cc1ccc2c(c1)C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O	5SI	2-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-6-methylisoquinoline-1(2h)-thione
+CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](N2)C	5SJ	ethyl (2~{r})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{h}-quinoxaline-6-carboxylate
+CC[C@@H](C)Nc1c2nnc(n2c3ccccc3n1)C	5SK	~{n}-[(2~{r})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
+Cc1ccc(cc1)Cc2nc(on2)[C@H]3CC[C@@H](C3)Nc4c5cn[nH]c5ncn4	5SL	~{n}-[(1~{s},3~{s})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{h}-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1nccn1Cc2cc(cnn2)c3ccc(c(c3)C(F)F)F	5SM	5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine
+Cc1cc2nnc(n2c3c1cccc3)C	5SN	1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@H]4[C@@H]([C@H]([C@H]5[C@H](O4)COC(O5)(C)C)O)O)C(C)C)C)COC	5SO	fusicoccin a-thf derivative
+C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O	5SP	5-o-phosphono-d-xylulose
+c1cc(ccc1C=C2C(=O)N(C(=N2)[C@H](Cc3c[nH]cn3)N)CC(=O)O)O	5SQ	2-[2-[(1s)-1-azanyl-2-(1h-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)O)CCOP(=O)(O)OP(=O)(O)[O-]	5SR	[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-carboxy-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate
+c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)c(n[nH]4)O)NC(=O)C5CCC(CC5)CN	5SS	4-(aminomethyl)-~{n}-[(1~{s})-1-[4-(3-oxidanyl-1~{h}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide
+COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)C4CCC(CC4)CN	5ST	methyl ~{n}-[4-[2-[(1~{s})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
+COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	5SU	methyl ~{n}-[4-[2-[(1~{s})-1-[[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
+CCCCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	5SV	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl icosyl hydrogen phosphate
+CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC	5SW	4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one
+CC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)OCC2=Cc3ccccc3OC2=O	5SY	[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate
+Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)N4C=Cc5c(cccn5)C4=O)F	5SZ	6-[(1~{r})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
+CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3	5T0	3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one
+C[C@H](c1nnc2n1cc(cc2F)c3cnn(c3)C)N4C=Cc5c(cc(cn5)OCCOC)C4=O	5T1	6-[(1~{r})-1-[8-fluoranyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one
+c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3	5T2	2-(pyridin-4-ylmethylamino)-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CCN(CCCC[C@@H](C(=O)O)N)C(C)C	5T3	n~6~-ethyl-n~6~-propan-2-yl-l-lysine
+c1cnc(nc1)N2CCC(CC2)CNC(=O)N3CCCC3	5T4	~{n}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
+c1cc(ccc1[C@]2(COC(=N2)N)[C@@H]3C[C@H]3C(=O)c4cc(cnc4)Cl)OC(F)F	5T5	[(1~{r},2~{r})-2-[(4~{s})-2-azanyl-4-[4-[bis(fluoranyl)methoxy]phenyl]-5~{h}-1,3-oxazol-4-yl]cyclopropyl]-(5-chloranylpyridin-3-yl)methanone
+Cc1cc(ccc1OC(F)F)[C@]2(COC(=N2)N)c3cccc(c3)c4cc(cnc4)Cl	5T6	(4~{s})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{h}-1,3-oxazol-2-amine
+C[C@]1(C(COC(=N1)N)(F)F)[C@@H]2C[C@H]2C(=O)Nc3cccc4c3ncc(c4)Cl	5T7	(1~{r},2~{r})-2-[(4~{r})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{h}-1,3-oxazin-4-yl]-~{n}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide
+C[C@]1(COCC(=N1)N)c2cccc(c2)Nc3cccc4c3ncc(c4)Cl	5T8	(5~{r})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
+[H]/N=C\C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CNC3)c4ccc(cn4)Cl)S(c5ccc(cc5Cl)OC)(O)O	5T9	(2~{s},4~{r})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{n}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+c1cc(cc(c1)OC[C@@H]2CN(C(=O)O2)c3cccc(c3)C#Cc4cccnc4Cl)CN	5TA	(5~{s})-5-[[3-(aminomethyl)phenoxy]methyl]-3-[3-[2-(2-chloranylpyridin-3-yl)ethynyl]phenyl]-1,3-oxazolidin-2-one
+CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3	5TB	3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one
+c1cc(ccc1CNC(=O)CCC2CCN(CC2)c3ccc(cc3)C#N)N4CCCCC4	5TC	3-[1-(4-cyanophenyl)piperidin-4-yl]-~{n}-[(4-piperidin-1-ylphenyl)methyl]propanamide
+c1cc(ccc1C#N)N2CCC(CC2)CCC(=O)N3CCCC3	5TD	4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile
+c1cc(cc(c1)N2CCCCC2)NC(=O)CCC3CCCC3	5TE	3-cyclopentyl-~{n}-(3-piperidin-1-ylphenyl)propanamide
+C[C@@H](c1c[nH]c2c1cccn2)c3nnc4n3nc(cc4)NC(C)C	5TF	(s)-3-(1-(1h-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-n-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3	5TG	~{tert}-butyl ~{n}-methyl-~{n}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)OSO)O	5TH	[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate
+COc1ccc(cc1)C=CC=C2C(=O)NC(=O)NC2=O	5TI	5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)OS(=O)(=O)O)OSO)O	5TJ	[(2r,3r,4r,5r,6s)-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OSO)O	5TK	(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol
+c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)N	5TL	2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OSO)O)O	5TM	[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate
+CCCOc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C	5TN	(2e)-3-[4-hydroxy-3-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acid
+C1CCC(C1)CCC(=O)N2CCCC2	5TO	3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one
+c1csc(n1)C(=O)CC[C@H]2CCCCN2	5TP	3-[(2r)-piperidin-2-yl]-1-(1,3-thiazol-2-yl)propan-1-one
+c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)CCCC(=O)O	5TQ	4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C	5TR	[(2~{e},6~{e},10~{e},14~{e},18~{z},22~{e},26~{z},30~{e},34~{e},38~{e})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate
+c1cc(sc1c2ccno2)S(=O)(=O)O	5TS	5-(1,2-oxazol-5-yl)thiophene-2-sulfonic acid
+CNCc1ccc(cc1)N2CCCCC2	5TT	~{n}-methyl-1-(4-piperidin-1-ylphenyl)methanamine
+CC1=CC(=CN(C1=O)C)c2ccc(cc2)C(=O)N	5TU	4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O	5TW	3-oxo-23,24-bisnorchol-4-en-22-oyl-coa
+C[C@@]1(C[C@@H](N(C1=O)O)O)P(=O)(O)O	5TX	((3s,5s)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid
+CN1C=Cc2c(cnc(n2)N(C)C)C1=O	5TY	2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one
+c1cnc(cc1C(=O)O)c2csc(n2)N	5TZ	2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
+CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)OC)N)/C)/C)C	5U0	s-farnesyl-l-cysteine methyl ester
+Cc1c[n+]2c([nH]c(n2)N)nc1OC(C)C	5U1	2-amino-6-methyl-5-(propan-2-yloxy)-3h-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
+CC1=CC(=CN(C1=O)C)c2cc(c(c(c2)OC)CN3CC(C3)O)OC	5U2	5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one
+C[C@@H](C(C)C)N1C=C(c2c(c(n[nH]2)N)C1=O)c3cc(n(n3)C)C(C)(C)O	5U3	3-azanyl-5-[(2~{s})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{h}-pyrazolo[4,3-c]pyridin-4-one
+Cc1ccccc1N2C=C(c3c(c(n[nH]3)N)C2=O)c4ccn(n4)C	5U4	3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{h}-pyrazolo[4,3-c]pyridin-4-one
+CCNC(=O)C#Cc1ccc\2c(c1)NC(=O)/C2=C(/c3ccccc3)\Nc4ccc(cc4)CN(C)C	5U5	3-[(3~{z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{h}-indol-6-yl]-~{n}-ethyl-prop-2-ynamide
+CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC	5U6	4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one
+Cc1cc(ccc1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3cc(cc(c3)C(=O)NC)C(=O)NC	5U7	5-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{n}1,~{n}3-dimethyl-benzene-1,3-dicarboxamide
+CN(CCc1cnn(c1)c2c3c(ccn2)C(=O)NC=N3)Cc4ccc(cc4)F	5U8	8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CC(=O)c1csc(n1)NC(=O)C2C[NH2+]C2	5U9	~{n}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COC(=O)O)O)N	5UA	5'-o-carboxy-2'-deoxyadenosine
+c1cnc(c2c1C(=O)NC=N2)c3cscn3	5UB	8-(1,3-thiazol-4-yl)-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C1=C(C(=O)NC(=O)N1)Cl	5UC	5-chloropyrimidine-2,4(1h,3h)-dione
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F	5UD	5-fluorouridine
+C[C@H](C(=O)Nc1nc(cs1)C(=O)C)[NH3+]	5UE	[(2~{r})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium
+CCCCCCC[C@@H](CC(=O)O)O	5UF	(3~{s})-3-oxidanyldecanoic acid
+CC(C)(COP(=O)(O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O	5UG	[(3~{s})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphono hydrogen phosphate
+COc1ccc(cc1c2ccccc2)CC(=O)O	5UH	2-(4-methoxy-3-phenyl-phenyl)ethanoic acid
+CC(C)Oc1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F	5UI	1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
+c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl	5UJ	8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O	5UK	2-imino,3-carboxy,5-oxo,6-hydroxy hexanoic acid 
+c1cc(ccc1CC2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl	5UL	8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1cc(sc1)CC(=O)Nc2ccc(cc2F)S(=O)(=O)N	5UM	n-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
+c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N	5UN	n-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
+c1cc(ccc1C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl	5UO	8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1cnc(cc1C(=O)N)c2csc(n2)N	5UP	2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide
+Cc1cc(ccc1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3cccc(c3)C(=O)NC	5US	3-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{n}-methyl-benzamide
+CC1(CC1)c2cc(c(cc2Cl)O)NCC(=O)N3CCN(CC3)C4CN(C4)C(=O)C=C	5UT	1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
+c1cc(ccc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)F	5UU	6-chloranyl-~{n}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine
+c1cc(c(cc1Nc2c3cc(ccc3nc4c2CCCC4)Cl)Cl)F	5UV	7-chloranyl-~{n}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine
+c1ccc(cc1)C(CCNC2CCNCC2)c3ccccc3	5UW	~{n}-(3,3-diphenylpropyl)piperidin-4-amine
+c1cc(c(cc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)Cl)F	5UX	6-chloranyl-~{n}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine
+COC(=O)c1cnc(cc1NC[C@H]2CNCCO2)Nc3cnc(cn3)C#N	5UY	methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{r})-morpholin-2-yl]methylamino]pyridine-3-carboxylate
+CCC[C@@H]1CCCCN1C(=O)c2cccc(c2F)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5	5UZ	5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{r})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid
+c1cc(oc1)CNCc2cc(ccn2)C(=O)O	5V0	2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid
+c1ccc(cc1)CNCc2cc(ccn2)C(=O)O	5V1	2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid
+CN1C=C(c2c(cc(s2)C(=N)NC3CCS(=O)(=O)CC3)C1=O)c4cccc(c4)C(F)(F)F	5V2	n-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
+c1ccc(cc1)CNCc2c3c(ccn2)C(=O)N=CN3	5V3	8-[[(phenylmethyl)amino]methyl]-1~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1ccc2c(c1)C[C@H]([C@@H]2O)O	5V4	(1~{r},2~{r})-2,3-dihydro-1~{h}-indene-1,2-diol
+COc1ccc(cc1c2cccs2)CC(=O)O	5V5	2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid
+COc1ccc(cc1c2ccsc2)CC(=O)O	5V6	2-(4-methoxy-3-thiophen-3-yl-phenyl)ethanoic acid
+c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N	5V7	8-(2-azanyl-1,3-thiazol-4-yl)-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CNC(=O)c1c2c(ccc(c2CN3CCCCC3)O)oc1c4ccc(cc4)O	5V8	2-(4-hydroxyphenyl)-~{n}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
+c1cc(nc(c1)Nc2nccs2)CC3(CCC(CC3)Oc4cccc(c4F)Cl)C(=O)O	5VC	4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid
+C[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(ccc(c4C3=O)O)O)[C@H]1C(=O)OC)O)O	5VD	methyl (1~{r},2~{r},4~{s})-2-methyl-2,4,5,7,10-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{h}-tetracene-1-carboxylate
+[H]/N=C(/N)\NC[C@H]1Cc2ccc(cc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC	5VE	~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
+[H]/N=C(/N)\NC[C@H]1Cc2cc(ccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CN(C)/C(=N\[H])/N	5VF	~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-5-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
+[H]/N=C(/N)\NC[C@H]1Cc2cc(ccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC	5VG	~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
+[H]/N=C(/N)\N(C)Cc1ccc2c(c1)[C@@H]([C@H](C2)CNC(=N)N)NC(=O)C(=O)Nc3ccc(c(c3)F)Cl	5VH	~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
+CCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCC=C	5VI	(2s)-2-azanyl-3-[[(2s)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid
+c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2	5VJ	6~{h}-benzo[c][1,2]benzothiazine 5,5-dioxide
+CCOC(=O)CCc1ccc(c(c1)O)c2ccccc2O	5VK	ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate
+c1ccc(c(c1)c2ccccc2O)O	5VL	2-(2-hydroxyphenyl)phenol
+c1cc2c(cc1Cl)NC(=S)O2	5VM	5-chloranyl-3~{h}-1,3-benzoxazole-2-thione
+C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)CO)O	5VN	caulophyllogenin
+c1ccc(cc1)C(=O)CCCCC(=O)O	5VO	6-oxidanylidene-6-phenyl-hexanoic acid
+C=CCO	5VQ	2-propen-1-ol
+CC(=O)NNC(=O)[C@@H]1CC[C@H](CN1C=O)NOS(=O)(=O)O	5VR	[[(3~{r},6~{s})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
+CC1(NC(=O)c2ccc(cc2N1Cc3ccccc3)N4c5cccnc5NC4=O)C	5VS	2,2-dimethyl-7-(2-oxidanylidene-3~{h}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{h}-quinazolin-4-one
+COc1ccc(cc1)CCNC(=O)[C@@H]2CCCN2C(=O)NCc3cccc4c3cccc4	5VT	(2~{s})-~{n}2-[2-(4-methoxyphenyl)ethyl]-~{n}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide
+c1cc(c(cc1F)F)NC(=O)N2CCCC2	5VU	n-(2,4-difluorophenyl)pyrrolidine-1-carboxamide
+C([C@@H](C=O)NC(=O)O)C(=O)N	5VV	n-carbamoyl-l-asparagine
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NO[C@H]2CCNC2	5VW	[[(3~{r},6~{s})-1-methanoyl-6-[[(3~{s})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate
+CN(C)C(=O)c1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F	5VX	1-[6-[3-(dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
+Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C	5VY	2-methyl-~{n}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(cc3)N4CCN(CC4)C	5VZ	~{n}-[2-chloranyl-5-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
+Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(c(c3)F)N4CCN(CC4)C	5W0	~{n}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)N4CCN(CC4)C	5W1	~{n}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C	5W2	4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{n}-(1-methylpiperidin-4-yl)benzamide
+Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NCCO)OC	5W3	~{n}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethy l]ethanamide
+Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C3=O)C)c4ccccc4	5W4	(3~{s})-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-phenyl-3~{h}-isoindol-1-one
+COC(=O)c1ccccc1CNC(=O)N2CCC[C@H]2C(=O)Nc3cccc(c3)OC(F)(F)F	5W5	methyl 2-[[[(2~{s})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate
+Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)N4CCC(CC4)CO)OC	5W6	~{n}-[2-[[6-chloranyl-3-[3-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide
+Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NC4CCC(CC4)N)OC	5W7	~{n}-[2-[[3-[3-[(4-azanylcyclohexyl)sulfamoyl]-4-methoxy-phenyl]-6-chloranyl-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide
+CC[C@H](CO)NS(=O)(=O)c1cc(ccc1OC)c2c(nc3n2nc(cc3NCCNC(=O)C)Cl)C	5W8	~{n}-[2-[[6-chloranyl-3-[4-methoxy-3-[[(2~{r})-1-oxidanylbutan-2-yl]sulfamoyl]phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide
+Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)N4CCOCC4)OC	5W9	~{n}-[2-[[6-chloranyl-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide
+Cc1c(c(nc(n1)N)N)C#C[C@@H](c2cc(c(c(c2)OC)OC)OC)O	5WA	(1r)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol
+Cc1c(c(nc(n1)N)N)C#C[C@H](c2cc(c(c(c2)OC)OC)OC)OC	5WB	5-[(3s)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+C[C@H](c1cccc(c1F)Cl)NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn4c5cnccc5c(n4)C(=O)N	5WC	1-[2-[(1~{r},3~{s},5~{r})-3-[[(1~{r})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide
+c1cc(cc(c1)C(=O)O)COc2ccc3c(c2)cc([nH]3)C(=O)N	5WD	3-[(2-aminocarbonyl-1~{h}-indol-5-yl)oxymethyl]benzoic acid
+CN(C)CCCC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5	5WE	4-[8-azanyl-3-[(2~{s})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{n}-(1,3-thiazol-2-yl)benzamide
+CC1(COC1)C(=O)N2CCC[C@H](C2)c3nc(c4n3ccnc4N)c5ccc(cc5)C(=O)Nc6cc(ccn6)C(F)(F)F	5WF	4-[8-azanyl-3-[(3~{r})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{n}-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+C[C@H]1CC[C@H](CN1C(=O)C2CC2)c3nc(c4n3ccnc4N)c5ccc(cc5F)C(=O)Nc6cc(ccn6)C(F)(F)F	5WH	4-[8-azanyl-3-[(3~{r},6~{s})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{n}-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCC4	5WJ	~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+c1ccc(c(c1)c2cc([nH]n2)C(C(F)F)(F)F)O	5WK	2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{h}-pyrazol-3-yl]phenol
+CS(=O)(=O)NC(=O)c1c(c2ccc(cc2[nH]1)Cl)CCCOc3cccc4c3cccc4	5WL	6-chloranyl-~{n}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxamide
+c1ccc2c(c1)C(=CS2(=O)=O)CNS(=O)(=O)N	5WM	1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene
+c1ccc2c(c1)c(cs2)CNS(=O)(=O)N	5WN	3-[(sulfamoylamino)methyl]-1-benzothiophene
+c1ccn(c1)c2cccc(c2)c3cccc(c3)C(=O)Nc4c5c(nc[nH]5)ncn4	5WO	~{n}-(7~{h}-purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide
+CCOc1c(c(c2c3c1[C@@H](O/C=C/[C@@H]([C@H]([C@H]([C@H]([C@@H]([C@H]([C@H]([C@@H](/C=C/C[C@@H](C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)OP(=O)(O)O)C)O)C)O[C@@H](C)O)C)OC)O)O)C	5WP	rifampin-phosphate
+CCOc1c(c(c2c3c1[C@@H](O/C=C\[C@H]([C@H]([C@H]([C@H]([C@@H]([C@H](C(=O)[C@@H](/C=C/C[C@@H](C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)C)O)C)OC(=O)C)C)OC)O)O)C	5WQ	rifampin
+C[C@@H]1CN(Cc2c1ccc(c2)C(=O)Nc3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5	5WR	(4~{s})-4-methyl-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{h}-isoquinoline-7-carboxamide
+CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C	5WS	~{n}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide
+CC1=CC(=O)N(c2c1ccc(c2)NC(=O)C)C	5WT	~{n}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)ethanamide
+Cc1c2c(n(n1)CCO)CCCC2=O	5WU	1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{h}-indazol-4-one
+CN1Cc2ccccc2C1=O	5WV	2-methyl-3~{h}-isoindol-1-one
+COc1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2	5WW	5-amino-3-(4-methoxyphenyl)isoquinolin-1(2h)-one
+COc1cccc2c1c(no2)N	5WX	4-methoxy-1,2-benzoxazol-3-amine
+c1cc(c2c(c1)OCCO2)C(=O)N	5WY	2,3-dihydro-1,4-benzodioxine-5-carboxamide
+C1CC1C(=O)N2CCC(CC2)N	5WZ	(4-azanylpiperidin-1-yl)-cyclopropyl-methanone
+C/C(=C\c1ccccc1)/C[C@@H]2C(=O)N(C(=S)S2)NS(=O)(=O)c3ccccc3	5X	5r-(2e-methyl-3-phenyl-allyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine
+CNC(=O)c1cc(ccc1OC2CCOCC2)OCC(=O)Nc3ccccc3	5X0	~{n}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide
+C[C@H]1CN(Cc2c1ccc(c2)NC(=O)c3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5	5X1	3-[(4-methylpiperazin-1-yl)methyl]-~{n}-[(4~{r})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{h}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3[nH]c2C(=O)NS(=O)(=O)c4ccccc4	5X2	3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{n}-(phenylsulfonyl)-1~{h}-indole-2-carboxamide
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)NS(=O)(=O)c4ccc(o4)C(=O)O)c5c([nH]nc5C)C)Cl	5X3	5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{h}-pyrazol-4-yl)-1~{h}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid
+CCC(=O)N1CCCC[C@H](C1)n2c3c(cccc3nc2NC(=O)c4cccc(c4)C(F)(F)F)C	5X4	~{n}-[7-methyl-1-[(3~{r})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC[C@@H](C(=O)O)N)O)O)N	5X8	s-adenosyl-l-cysteine
+Cn1cc(nn1)[C@@H]2C[C@H]2c3c(cnn3c4cccc(c4)c5cccc(c5)C(=O)N(C)C)C(=O)O	5X9	1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-5-[(1~{r},2~{r})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid
+C(CCN)CC(=O)NO	5XA	5-amino-n-hydroxypentanamide
+C1[C@H](N[C@H](S1)C(=O)O)C(=O)O	5XB	(2~{r},4~{r})-1,3-thiazolidine-2,4-dicarboxylic acid
+c1cc2c(cc1C=O)OCO2	5XC	1,3-benzodioxole-5-carbaldehyde
+CCc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C	5XD	4-ethyl-~{n}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide
+Cc1cc(ccc1S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C)Br	5XE	4-bromanyl-~{n}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide
+CN1c2cc(c(cc2N(C1=O)C)N3CCCC3)NC(=O)c4ccccc4OC	5XF	~{n}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide
+c1cc2c(cc1c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl)n[nH]c2N	5XG	8-[3-(3-azanyl-2~{h}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
+Cc1cccc2c1n(c(n2)NC(=O)c3ccnc(c3)C)[C@@H]4CCCCN(C4)C(=O)C=CCN(C)C	5XH	~{n}-[1-[(3~{r})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide
+CN(C)S(=O)(=O)Nc1ccc(c(c1F)Nc2c(cccn2)c3c4c(nc[nH]4)ncn3)F	5XJ	6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{h}-purine
+CCC(CC)Cc1ccn-2c1NC(=O)c3c2cccc3Cl	5XK	6-chloranyl-3-(2-ethylbutyl)-4~{h}-pyrrolo[1,2-a]quinazolin-5-one
+CN(C)Cc1ccn-2c1NC(=O)c3c2cccc3Cl	5XL	6-chloranyl-3-[(dimethylamino)methyl]-4~{h}-pyrrolo[1,2-a]quinazolin-5-one
+c1ccc2c(c1)C(=O)N=C3N2CC[C@@H]3CN4CCCCC4	5XM	(3~{r})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{h}-pyrrolo[1,2-a]quinazolin-5-one
+c1cc(cc(c1)Cl)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)[NH3+]	5XN	(1s)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2h-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium
+Cc1cccc(c1)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)N	5XO	(s)-2-amino-3-(5-(2-(3-methylbenzyl)-2h-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid
+c1cc(cc(c1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N)CN	5XP	(2~{s})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid
+Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccccc3OC	5XQ	~{n}-[5-[2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
+C(C=O)[C@@H](N[C@@](CC(=O)O)(C(=O)O)O)O	5XR	2-hydroxy-n-[(1s)-1-hydroxy-3-oxopropyl]-l-aspartic acid
+COC(=O)c1cccc(c1)C(=O)Nc2c3c(nc[nH]3)ncn2	5XS	methyl 3-(7~{h}-purin-6-ylcarbamoyl)benzoate
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3ccc(c(c3)O)O	5XT	~{n}-[3,4-bis(oxidanyl)phenyl]-4-phenyl-benzenesulfonamide
+C[C@@H](C=O)N	5XU	(2~{s})-2-azanylpropanal
+C[C@@H](C(F)(F)F)Oc1c(ncc(n1)c2ccc3nc(cn3c2)NC(=O)C)N	5XV	~{n}-[6-[5-azanyl-6-[(2~{s})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide
+C(C=O)C(/N=C(/CC(=O)O)\C(=O)O)O	5XW	(2~{z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5	5XX	2-phenyl-~{n}-[5-[[(3~{r})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5	5XY	2-phenyl-~{n}-[5-[[(3~{s})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@@H](C3)Oc4nnc(s4)NC(=O)Cc5ccccc5	5XZ	2-phenyl-~{n}-[5-[(3~{s})-3-[[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanamide
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@H](CO)O	5Y0	n-[(2s)-2,3-bis(oxidanyl)propoxy]-3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide
+Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	5Y2	~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide
+CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	5Y3	~{n}-[2-[2-azanylethyl(methyl)amino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide
+CC(=O)Nc1cc(ccc1N(C)CCN(C)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	5Y4	~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethanamide
+Cc1cc(n2c(n1)nc(n2)C(C)(F)F)N[C@H]3CCc4ccc(cc4C3)Br	5Y5	2-[1,1-bis(fluoranyl)ethyl]-~{n}-[(2~{s})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CC4)CNC(=O)O5)Cl	5Y6	8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{h}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
+CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CCCN5CCOC)CC4)Cl	5Y7	5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{h}-2,1-benzothiazole 2,2-dioxide
+Cn1c2ccc(cc2cn1)c3cnc(c(c3N4CCC5(CCNC5=O)CC4)Cl)N	5Y8	8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
+CC(=O)N(C)C	5Y9	~{n},~{n}-dimethylethanamide
+c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO	5YA	4-naphthalen-1-yl-~{n}-oxidanyl-benzamide
+[H]/N=C(/c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)\N	5YB	n-(4-carbamimidoylbenzoyl)-beta-alanyl-l-alpha-aspartyl-l-phenylalanine
+CCN(CC1=CC(=O)N2C(=N1)SC(=N2)C)c3ccccc3	5YC	7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
+c1cc(cnc1)CNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(cc3)F	5YD	4-[[(4-fluorophenyl)sulfonylamino]methyl]-~{n}-(pyridin-3-ylmethyl)benzamide
+CCN(CC1=CC(=O)N2C3=C(CCC3)SC2=N1)c4ccc(cc4)F	5YE	6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{h}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one
+CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@H]4C[C@@H]4CO	5YF	7-[(4-fluoranylphenoxy)methyl]-3-[(1~{s},2~{s})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
+CCC(CC)(CS[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O	5YI	(1r,2z,3r,5e,7e)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol
+Cc1c(cc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl	5YJ	6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+C(CCC1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O	5YL	5-(6-d-ribitylamino-2,4(1h,3h)pyrimidinedione-5-yl) pentyl-1-phosphonic acid
+c1c(cc(c(c1Cl)Cl)Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3	5YN	6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+c1cc(cnc1)CNc2nccc(n2)c3cc(ccn3)C(=O)O	5YQ	2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid
+CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4ccsc4	5YU	n-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)NC(=O)C#Cc4ccccc4	5YW	n-[[5-(3-phenylprop-2-ynoylamino)-2-propoxy-phenyl]methyl]-4-pyrimidin-2-yl-benzamide
+CC(C)(C)c1nc(c(s1)c2ccnc(n2)CCS(=O)(=O)C)c3cccc(c3F)NS(=O)(=O)c4cc(ccc4F)F	5YX	n-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide
+CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5ccc(cc5)N=[N+]=N	5YY	ethyl 2-(2-(4-azido-n-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate
+CC1=CC(=CN(C1=O)C)c2nc3ccc(cc3n2CC4CCOCC4)N(C)CCOCCOCCN(CC(=O)NCCOCCOCC#C)C(=O)c5ccc(cc5)C(=O)c6ccccc6	5Z1	4-benzoyl-n-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-n-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)C(F)(F)F)Cl	5Z3	6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1h,3h)-dione
+CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5c(c(c(c(c5F)F)N=[N+]=N)F)F	5Z4	ethyl 2-(2-(4-azido-n-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate
+Cc1c([nH]c(c1C(=O)NC)C)\C=C/2\c3cc(ccc3NC2=O)Cl	5Z5	5-[(z)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n-(diethylamino)ethyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Br	5Z7	6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+c1cc2c(c(c1)[N+](=O)[O-])non2	5Z8	4-nitro-2,1,3-benzoxadiazole
+CC[C@](C)(C#N)O	5Z9	(2r)-2-methyl-2-oxidanyl-butanenitrile
+C[C@H]([C@@H](C1=N/C(=C\c2c[nH]c3c2c(ccc3)N)/C(=O)N1CC(=O)O)N)O	5ZA	(5z)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-5-[(4-amino-1h-indol-3-yl)methylene]-3-(2-hydroxyethyl)-3,5-dihydro-4h-imidazol-4-one
+C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)n4cccc4)C(=O)C	5ZB	(2r)-2-{acetyl[4-(1h-pyrrol-1-yl)phenyl]amino}-n-[(1s)-1-phenylethyl]-2-(pyridin-3-yl)acetamide
+Cc1cc(nc(n1)N)C	5ZE	4,6-dimethylpyrimidin-2-amine
+C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)CCl	5ZF	n-([1,1'-biphenyl]-4-yl)-2-chloro-n-[(1r)-2-oxo-2-{[(1s)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide
+c1ccc2c(c1)C(=O)NC(=N2)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5	5ZI	4-[3-(4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-n-(quinolin-8-yl)benzamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)C(F)(F)F	5ZJ	6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1h,3h)-dione
+Cc1c2c(c(ncn2)NC)[nH]n1	5ZK	~{n},3-dimethyl-1~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+c1c[n+](c(nc1OP(=O)(O)O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	5ZL	[[(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(2-oxidanyl-4-phosphonooxy-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CC1(c2cc(ccc2NC1=O)c3ccc(cc3)F)C	5ZM	5-(4-fluorophenyl)-3,3-dimethyl-indolin-2-one
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)C=O	5ZN	2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde
+COc1ccc(cc1)/C=C(\CC(=O)O)/c2nc3ccccc3s2	5ZO	(~{e})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid
+Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)c5nnc(o5)[C@@H](CC(=O)N[C@H](C)c6ccccc6)C(C)C	5ZP	(3~{s})-3-[5-(8-cyclopropyl-2-methyl-9~{h}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{n}-[(1~{r})-1-phenylethyl]pentanamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)CO	5ZT	6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3h,5h)-dione
+c1cc(ccc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl	5ZW	6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+C[C@]1(N[C@@H](C(S1)(C)C)C(=O)O)C(=O)O	5ZZ	(2~{r},4~{r})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid
+CC(C)C[C@@H](c1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6)OC	600	6-[4-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl]-2-[(1s)-1-methoxy-3-methylbutyl]quinolin-8-ylphosphonic acid
+CN(C)c1ccc(cc1)C(=O)NN	601	4-(dimethylamino)benzohydrazide
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)C2CNC2	602	[[(3~{r},6~{s})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
+c1ccc(cc1)c2cccc(c2)C(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3O)CNS(=O)(=O)c4ccc(cc4)C#N)O)O	603	~{n}-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide
+Cc1c(cc(o1)S(=O)(=O)NC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)c3cccc(c3)Br)O)O)C(=O)O	604	2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-d-glucopyranos  e
+c1cc(cc(c1)C(=O)N)c2ccc(cc2)[C@@H](Cc3cc(ccc3F)F)N	605	4'-[(1r)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide
+[H]/N=C(/N)\Nc1cccc(c1)[C@H](C[P@](=O)(CCCc2ccccc2)O)C(=O)O	606	(2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(s)-hydroxy(3-phenylpropyl)phosphoryl]propanoic acid
+c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-])N	607	2-(2'-amino-5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-oxido-1,1'-biphenyl-3-yl)succinate
+c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4	608	n-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide
+c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O	609	7-oxo-7h-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid
+C[C@H](COCCO)OCO	60A	2-[(2~{r})-2-(hydroxymethyloxy)propoxy]ethanol
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5	60B	~{n}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
+c12c3c4c5c1c6c7c8c2c9c1c3c2c3c4c4c%10c5c5c6c6c7c7c%11c8c9c8c9c1c2c1c2c3c4c3c4c%10c5c5c6c6c7c7c%11c8c8c9c1c1c2c3c2c4c5c6c3c7c8c1c23	60C	(c_{60}-i_{h})[5,6]fullerene
+CC(C)n1cc(c2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5)C(=O)NC6CCOCC6	60D	6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{n}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide
+CC[C@H](C)n1c2cc(ncc2c(n1)N3CC(C3)C(C)(C)O)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6	60E	2-[1-[1-[(2~{s})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol
+c1cc(ccc1/C=C/C(=O)SC[C@@H](C(=O)O)N)O	60F	(2~{r})-2-azanyl-3-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid
+COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC	60G	methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate
+c1ccc(cc1)C(c2ccccc2)[C@@H]3CCCN3	60H	(2~{s})-2-(diphenylmethyl)pyrrolidine
+Cc1c(c(n(n1)C)C)C(=O)N2CCN(CC2)Cc3nc4ccccc4n3CC(C)(C)C	60I	[4-[[3-(2,2-dimethylpropyl)-1~{h}-benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
+c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)O)S(=O)(=O)N	60K	(3z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxylic acid
+CNCc1cccc(c1)c2cccs2	60L	~{n}-methyl-1-(3-thiophen-2-ylphenyl)methanamine
+c1cc(nc(c1)C(=O)O)CP(=O)(O)O	60M	6-(phosphonomethyl)pyridine-2-carboxylic acid
+c1cc(nc(c1)C(=O)O)[C@@H](O)P(=O)(O)O	60N	6-[(~{s})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid
+c1cc(cc(c1)OC[C@H]2CCCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	60O	7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-[[(2~{r})-oxan-2-yl]methoxy]phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
+Cc1ccsc1C(=O)O	60P	3-methylthiophene-2-carboxylic acid
+c1ccc(c(c1)C(=O)O)n2cccc2	60Q	2-pyrrol-1-ylbenzoic acid
+c1ccc\2c(c1)COc3cc(ccc3/C2=C/c4ccc5c(c4)NC(=O)CO5)F	60R	6-[(~{e})-(3-fluoranyl-6~{h}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{h}-1,4-benzoxazin-3-one
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)NC)F)C)c4ccc(s4)C#N	60S	5-{(2e,4ar,7ar)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4c(cccc4F)F	60T	(2e,4ar,7as)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OCC)F)C)c4ccc(s4)C#N	60U	5-[(2e,4ar,7ar)-6-(4-ethoxy-5-fluoro-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(s4)C#N	60V	5-[(2e,4ar,7ar)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(c(n3)OC)F)c4cc(cs4)c5cccc(c5)C#N	60W	3-{5-[(2e,4ar,7ar)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(cc4F)F	60X	(2e,4ar,7as)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(cn3)F)c4cc(cs4)c5cccc(c5)C#N	60Y	3-{5-[(2e,4ar,7ar)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+CC[C@H](Cc1ccccc1)[C@@H]2/C=C/C/C=C/C[C@H]([C@@H]([C@H]([C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)C)O)C	60Z	(3r,4e,7e,10r,11s,12r,13s,16r,17r,24as)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2r)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3h-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21h)-trione
+c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4)O)O)O)O)[N+](=O)[O-]	610	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+c1cnccc1S[C@H]2[C@@H]([C@@H]([C@H](O2)/C=C/CNC(=O)c3cc(cc(c3O)O)[N+](=O)[O-])O)O	611	n-[(e)-3-[(2r,3s,4r,5s)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2CCCCC2	612	6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1h,3h)-dione
+[H]/N=C(\N)/N1CCN(CC1)c2ccc(cc2)Cl	613	4-(4-chlorophenyl)piperazine-1-carboximidamide
+Cc1cc([nH]n1)NC2=NN(C(=O)c3c2ccc(c3)CN4CCN(CC4)C)C5CCOCC5	614	7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1h-pyrazol-5-yl)amino]-2-(tetrahydro-2h-pyran-4-yl)phthalazin-1(2h)-one
+c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)CC5(C[C@@H]5C(=O)NO)C(=O)N	615	(1r,2s)-n~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide
+CC(C)[C@H](C=O)[C@H]1[C@@H](CCN1C(=O)\C=C\CN2CCCCC2)NS(=O)(=O)C	616	n-[2-(1-formyl-2-methyl-propyl)-1-(4-piperidin-1-yl-but-2-enoyl)-pyrrolidin-3-yl]-methanesulfonamide
+c1ccc(c(c1)C(=O)O)NC(=O)COc2ccc(cc2)Cl	617	2-{[(4-chlorophenoxy)acetyl]amino}benzoic acid
+Cc1cc(n(n1)c2ccccc2)NC(=O)[C@@H]3C(S[C@H]4N3C(=O)[C@@H](C=CC4)NC(=O)[C@H](C)NC)(C)C	618	(3r,6r,9ar)-2,2-dimethyl-6-[(n-methyl-l-alanyl)amino]-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)-5-oxo-2,3,5,6,9,9a-hexahydro[1,3]thiazolo[3,2-a]azepine-3-carboxamide
+CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	619	n-[(e)-3-[(2r,3s,4r,5r)-5-(6-ethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+c1ccc2c(c1)c3ccccc3n2CCN[Pt](N)(N)Cl	61C	platinum(4+) chloride azanide [2-(9h-carbazol-9-yl)ethyl]azanide (1:1:2:1)
+OI	61D	hypoiodous acid
+Cn1c2cc(c3c(c2c4c1cc(c(c4)O)OCCCN(C)C)C(=O)NC3=O)c5ccccc5Cl	61E	4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione
+CC(=C)C=C	61G	2-methylbuta-1,3-diene
+c1ccc2c(c1)ccc3c2ccc(c3)[C@H]4C[C@@H]([C@H](O4)COP(=O)O)O	61H	(1r)-1,4-anhydro-2-deoxy-5-o-[(s)-hydroxy(oxido)-lambda~5~-phosphanyl]-1-phenanthren-2-yl-d-erythro-pentitol
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CCOP(=O)O)O)O)O	61J	(6s)-2,6-anhydro-1-deoxy-6-(2-{[(s)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-d-galactitol
+c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)NCCc4c[nH]cn4)S(=O)(=O)N	61K	(3z)-n-[2-(1h-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxamide
+Cc1ccc(c(c1)Nc2c(cccc2SC)C)C(=O)O	61L	4-methyl-2-{[2-methyl-6-(methylsulfanyl)phenyl]amino}benzoic acid
+c1ccc(c(c1)C(=O)CC(=O)O)N	61M	3-(2-aminophenyl)-3-oxopropanoic acid
+c1cc2cc(ccc2c(c1)C(=O)O)O	61N	6-hydroxynaphthalene-1-carboxylic acid
+c1ccc(c(c1)c2cccnc2)C(=O)O	61O	2-(pyridin-3-yl)benzoic acid
+c1ccc2c(c1)cc([nH]2)CC(C(=O)NN=Cc3cccc(c3)/C=N/NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N)N	61P	2-amino-n'-{3-[(e)-{2-[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1h-indol-2-yl)propanehydrazide (non-preferred name)
+c1cc2c(cc(nc2c(c1)NC(=O)c3cc(c4cccc(c4n3)NC(=O)c5cc(c6cccc(c6n5)[N+](=O)[O-])OCCCN)OCCCN)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)O)OCCCN	61Q	4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-nitroquinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinoline-2-carboxylic acid
+CC(C)(C)OC(=O)[C@@H](CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N	61S	tert-butyl (2r)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl}amino)-4-phenylbutanoate
+c1cc(cc(c1)SC(F)(F)F)c2cc3nccc(n3n2)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N	61T	[(1~{r},2~{r},3~{s},4~{r})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
+C[C@](c1ccc2cnc(cc2n1)Nc3cc(c(cc3F)C#N)N4CCOCC4)(C5CCN(CC5)C)O	61U	5-fluoranyl-4-[[2-[(1r)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile
+c1ccc(cc1)CN2CCC(CC2)NC(=O)c3ccc(cc3)I	61V	n-(1-benzylpiperidin-4-yl)-4-iodobenzamide
+CCCN1CCC=C(C1)c2cc(no2)c3ccc(cc3)C	61W	3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2h-pyridin-5-yl)-1,2-oxazole
+CS(=O)(=O)c1cccc(c1)Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F	61X	4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline
+CCc1cc(nc(n1)N)c2c[nH]c3c2cc(cn3)c4c[nH]nc4	61Y	4-ethyl-6-[5-(1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
+c1ccc(cc1)COc2cccc(c2)CNn3c(nnn3)N	620	n~1~-[3-(benzyloxy)benzyl]-1h-tetrazole-1,5-diamine
+CC(C)C[C@@H](C(=O)CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)C	621	n-acetylglycyl-n-[(3s)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-l-serinamide
+Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F	622	6-fluoro-n-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
+[H]/N=C(/c1cccc(c1)Oc2c(c(c(c([nH+]2)Oc3cccc(c3)/C(=N/[H])/N)F)C)F)\N	623	3,3'-[3,5-difluoro-4-methyl-2,6-pyridylenebis(oxy)]-bis(benzenecarboximidamide)
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)NC(C)C)c3ccc(c(c3)Cl)Cl	624	2-(2-(3,4-dichlorophenyl)-5-(isopropylamino)-6-oxopyrimidin-1(6h)-yl)-n-((s)-1-oxo-1-(thiazol-2-yl)-5-guanidinopentan-2-yl)acetamide
+c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)OCCCC#N)Cl	625	4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1h-pyrrol-2-yl}phenoxy)butanenitrile
+CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cn(cc4[nH]n3)C(=O)Cc5cccs5	626	4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
+CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC	627	n-[(3e)-5-[(2r)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3(5h)-ylidene]-4-(4-methylpiperazin-1-yl)benzamide
+c1cc(c(c(c1)Cl)C(=O)c2ccc3nc(cn3c2)Nc4ccc(cc4)S(=O)(=O)N)Cl	628	4-{[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino}benzenesulfonamide
+c1cc(ccc1C[C@@H](C(=O)N[C@@H]([C@H]2[C@@H]([C@@]([C@H](C[N@@]2O)O)(CO)O)O)C(=O)O)N)O	629	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)N)c3cccc(c3)C	62A	2-(5-amino-6-oxo-2-m-tolyl-6h-pyrimidin-1-yl)-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
+C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CS[C@@H]4CC[C@H](C[C@H]4O)N)C	62B	lefamulin
+c1cc(c(cc1/C=C/C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)Cl)Cl	62C	2-deoxy-2-{[(2e)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-d-glucopyranose
+CCNC1=Nc2cc3c(cc2C(=O)N1)nc([nH]3)NC	62D	6-(ethylamino)-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CCN1CCC(CC1)CCNC(=O)Nc2nc3ccc(cc3s2)Sc4nnc5n4nc(cc5)c6cccs6	62E	1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea
+Cc1cc2c(cc1C)N(c3c(nc(nc3O)O)N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O	62F	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[5-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7,8-dimethyl-2,4-bis(oxidanyl)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+Cc1c-2c(on1)[C@@H](N=C(c3c2cccc3)c4ccc(cc4)Cl)CC(=O)N	62G	cpi-0610
+C[C@@H](CN)C(=O)O	62H	(2s)-3-amino-2-methylpropanoic acid
+CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)O)O)O	62I	(6r)-1-o-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-l-glucitol
+CC(C)COC(=O)c1ccc2c(c1)/C(=N/Nc3ccc(cc3)S(=O)(=O)N)/C(=O)N2	62K	2-methylpropyl (3z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxylate
+Cc1ccc(c(c1)Nc2c(cccc2S(=O)(=O)C)C)C(=O)O	62L	4-methyl-2-{[2-methyl-6-(methylsulfonyl)phenyl]amino}benzoic acid
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N4CC[C@@H](C4)O	62M	[6-hydroxy-3-(3-methylbenzyl)-1h-indazol-5-yl][(3s)-3-hydroxypyrrolidin-1-yl]methanone
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F	62N	n-{[4-(trifluoromethyl)benzoyl]carbamoyl}-beta-d-glucopyranosylamine
+COc1ccc2c(c1)[nH]c(n2)c3ccn[nH]3	62O	6-methoxy-2-(1h-pyrazol-5-yl)-1h-benzimidazole
+Cc1c2cc(ccc2oc1S(=O)(=O)C3=NNC(=O)C=C3)Cl	62P	6-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3(2h)-one
+CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5ccc(cc5)C(F)(F)F	62Q	{4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2r,3s)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone
+CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCCC(=O)O)Oc5cc(sc5)C(F)(F)F	62R	4-[2-(4-{[(2r,3s)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cc(no2)c3ccccc3O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)O	62S	[(2~{s})-3-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid
+CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5cc(sc5)C(F)(F)F	62T	{4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2r,3s)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone
+C[C@H]1C[C@@H]([C@@H](C(C=C([C@H]([C@H](C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccco3)C)OC)OC(=O)N)C)C)O)OC	62U	(8s,9r,13r,14s,16r)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate
+Cc1c-2c(on1)CN=C(c3c2cccc3)c4ccc(cc4)Cl	62V	6-(4-chlorophenyl)-1-methyl-4h-[1,2]oxazolo[5,4-d][2]benzazepine
+C([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)O	62W	l-glucitol
+CN(C)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	62X	5'-{[(3s)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine
+c1ccc(cc1)P(=O)(O)Oc2cccc(c2)Br	62Y	3-bromophenyl hydrogen (s)-phenylphosphonate
+CCC(=O)N1C[C@@H]([C@H](C1)OC)COc2c3c(c[nH]c3nc(n2)Nc4cnn(c4)C)Cl	630	1-{(3r,4r)-3-[({5-chloro-2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one
+CN(C)Cc1ccc(cc1)/C=C/c2c3ccc(cc3n[nH]2)[C@@H]4C[C@]45c6cc(ccc6NC5=O)OC	631	(1r,2s)-2-{3-[(e)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2h-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'h)-one
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=O)C(=CN=C2SC)NCc3ccccc3	632	2-(5-benzylamino-2-methylsulfanyl-6-oxo-6h-pyrimidin-1-yl)-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
+CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4ccc(cc4)N5CCN(CC5)C	633	n-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide
+CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C	634	n-[3-({2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide
+CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2ccc(c3)F)(C)C)C(=O)c4ccc(cc4)OCCCN5CCOCC5	635	1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
+Cc1ccc(c(c1)Nc2c(cccc2C(=O)O)C)C(=O)O	636	2-[(2-carboxy-5-methylphenyl)amino]-3-methylbenzoic acid
+Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	637	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O	638	[4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]bis(methylene)]bis[n-2-thiazolylbenzamide]
+Cc1cc2cc(ccc2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N	639	6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile
+CCC(=O)N1C[C@@H]([C@H](C1)C(F)(F)F)COc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C	63A	1-[(3r,4r)-3-[({2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrr olidin-1-yl]propan-1-one
+COC(=O)Nc1[nH]c2cc(ccc2n1)Sc3nnc4n3nc(cc4)c5ccc(cc5)F	63B	methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1h-benzimidazol-2-yl)carbamate
+CNC(=O)CN1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl	63C	(3r,4r)-1-methylcarbamoylmethyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+CCCCCCCCCCOc1cc(cc(c1)O)COc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl	63D	4-chloro-2-{[3-(decyloxy)-5-hydroxybenzyl]oxy}-5-sulfamoylbenzoic acid
+CCCCc1cc(nc(n1)N)c2c[nH]c3c2cccn3	63E	4-butyl-6-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
+c1cc(ccc1CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)C(=O)NC5CC5)OC(F)(F)F	63F	n-cyclopropyl-6-[(3r)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N[C@H](CCN4C2=O)O	63G	(6s)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N[C@@H](CCN4C2=O)O	63H	(6r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one
+C[C@](c1ccc2cnc(cc2n1)Nc3ccc(cc3F)n4cccn4)(C5CCN(CC5)C)O	63I	(1r)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
+c1ccnc(c1)CC(=O)Nc2nnc(s2)CCCCc3ccc(nn3)NC(=O)Cc4cccc(c4)OC(F)(F)F	63J	2-(pyridin-2-yl)-n-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide
+c1cc(ccc1c2ccc3nnc(n3n2)Sc4ccc5c(c4)sc(n5)NC(=O)NCCN6CCOCC6)F	63K	1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea
+CSc1c(c(n(n1)C(=O)N)N)C(=O)N	63L	5-amino-3-(methylsulfanyl)-1h-pyrazole-1,4-dicarboxamide
+CC(C)(C)NC(=O)c1cnn2c1nc(cc2)NS(=O)(=O)c3ccnn3C	63M	n-tert-butyl-5-{[(1-methyl-1h-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC(C)n1cnc2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5	63N	n-{2-[1-(cyclopropylsulfonyl)-1h-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine
+Cn1c(ccn1)C(=O)N[C@@H](Cc2ccccc2F)C(=O)Nc3ccc(cc3)CCNC(=O)CC4(CCCC4)CC(=O)N(C)C	63O	n-(4-{2-[({1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl}acetyl)amino]ethyl}phenyl)-2-fluoro-nalpha-[(1-methyl-1h-pyrazol-5-yl)carbonyl]-l-phenylalaninamide
+CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@H](Cc3cc(ccc3Cl)Oc4ccc(cc4)C5(CCCC5)CC(=O)N1)NC(=O)c6ccnn6C	63P	(9's,17'r)-6'-chloro-n-methyl-9'-{[(1-methyl-1h-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide
+CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@H](Cc3cc(ccc3Cl)-c4cccc(c4)CCC(=O)N1)NC(=O)c5ccnn5C	63Q	(4s,20r)-7-chloro-n-methyl-4-{[(1-methyl-1h-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide
+CC(=O)N(c1ccccc1)[C@@H]2CCCN(C2)C(=O)c3ccc(cc3)N4CCOCC4	63R	n-{(3r)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-n-phenylacetamide
+C1[C@@H]([C@H](OC1=O)COP(=O)(O)O)O	63T	[(2r,3s)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)
+CC1=C(N[C@@H](SC1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O	63U	(2s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C=C1CS[C@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2	63V	(2s)-5-methylidene-2-{(1r)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1c2c(nc(nc2sc1Sc3ccc(cc3)C(F)(F)F)N)N	63W	5-methyl-6-{[4-(trifluoromethyl)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine
+COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O	63X	mofezolac
+Cc1c2c(nc(nc2sc1Sc3ccc(c(c3F)F)F)N)N	63Y	5-methyl-6-[(2,3,4-trifluorophenyl)sulfanyl]thieno[2,3-d]pyrimidine-2,4-diamine
+CC(C)(C)c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O	640	(2e)-4-{n'-[4-(4-tert-butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid
+c1c(cc(cc1Cl)Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3	641	(3s)-1-cyclohexyl-n-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
+c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)[C@@H]5C[C@@]6(C[C@@H]6C(=O)O)C(=O)N5	642	(1s,3r,6s)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid
+Cc1cc(ccc1c2ccc3c(c2)n(cc3C(=O)O)C)OCc4c(noc4C(C)C)c5c(cncc5Cl)Cl	643	6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1h-indole-3-carbox ylic acid
+c1ccc(c(c1)C(=O)O)Nc2cccc(c2C(=O)O)Nc3ccccc3C(=O)O	644	2,6-bis[(2-carboxyphenyl)amino]benzoic acid
+CC(C)(C)n1c(c(c(n1)c2ccc(cc2Cl)Cl)C(=O)c3ccc(cc3Cl)S(=O)(=O)C)O	645	[1-tert-butyl-3-(2,4-dichlorophenyl)-5-hydroxy-1h-pyrazol-4-yl][2-chloro-4-(methylsulfonyl)phenyl]methanone
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl	646	2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+c1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F	647	5-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-n-[4-(trifluoromethyl)benzyl]pyridin-2-amine
+c1ccc(cc1)OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	649	5'-o-[(11-phenoxyundecanoyl)sulfamoyl]adenosine
+CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](C2)OC(C(=O)O)C(=O)O	64A	{[(1s,3r)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}propanedioic acid
+COc1ccc(c(c1)F)N\2C(=O)CS/C2=C(/C#N)\C(=O)OC	64B	methyl (2z)-cyano[3-(2-fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
+CCc1c-2c([nH]n1)OC(=O)c3c2cccc3	64C	1-ethylisochromeno[3,4-c]pyrazol-5(3h)-one
+c1cc(ccc1S(=O)(=O)NCC2CCN(CC2)C(=O)O)Cl	64D	4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid
+CCCc1c-2c([nH]n1)OC(=O)c3c2cccc3	64E	1-propylisochromeno[3,4-c]pyrazol-5(3h)-one
+CCCCc1c-2c([nH]n1)OC(=O)c3c2cccc3	64F	1-butylisochromeno[3,4-c]pyrazol-5(3h)-one
+c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F	64I	2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol
+Cc1c2c(nc(nc2sc1Sc3ccc(cc3)OC(F)(F)F)N)N	64J	5-methyl-6-{[4-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine
+C1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O	64K	alpha-d-arabinopyranose
+CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)NC(=O)CC(=O)O)Br	64L	kb2115
+COc1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F	64M	5-[(5-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]-n-[4-(trifluoromethyl)benzyl]pyridin-2-amine
+CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)C(=O)N)O)Cl	64N	5'-[2,6-dichloro-4-(propanoylamino)phenoxy]-2'-hydroxybiphenyl-4-carboxamide
+CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)NC(=O)N)O)Cl	64O	n-(4-{[4'-(carbamoylamino)-6-hydroxybiphenyl-3-yl]oxy}-3,5-dichlorophenyl)propanamide
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N	64P	5-aminothymidine 5'-(dihydrogen phosphate)
+Cc1ccccc1Nc2cc(nc3n2cnn3)C	64Q	7-methyl-n-(o-tolyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
+Cc1ccc2c(c1)NC(=O)[C@H](O2)C	64R	(2r)-2,6-dimethyl-2h-1,4-benzoxazin-3(4h)-one
+CCNc1c2cc(c(cc2ncn1)OC)OC	64S	n-ethyl-6,7-dimethoxyquinazolin-4-amine
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O	64T	5-hydroxy-thymidine-5'-monophosphate
+c1cc(cc(c1)Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N	64U	3-cyclohexyl-d-alanyl-n-(3-chlorobenzyl)-l-prolinamide
+CN1CCC(CC1)N(CC(=O)O)c2ccc3cnc(cc3n2)Nc4ccc(cc4F)n5ccc(n5)CO	64V	2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid
+CC(=CCC/C(=C/CO)/C)C	64Z	geraniol
+C/C=C(\C)/CCC=C(C)C	650	beta-myrcene
+c1ccc(cc1)c2ccc(cc2)[C@]3(CN4CCC3CC4)O	651	(3r)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol
+CC(C)(c1ccccc1Cl)c2nc(cn2c3ccc(cc3)c4cccc(c4)S(=O)(=O)C)C(C)(C)O	652	2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1h-imidazol-4-yl}propan-2-ol
+c1ccc(cc1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)CC[NH3+]	653	5-(2-aminoethyl)-3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate
+Cc1ccc(cc1)Cn2cc(nc2)c3cccs3	654	4-(2-thienyl)-1-(4-methylbenzyl)-1h-imidazole
+c1cc(c(c(c1)OC2CCCC2)[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N	655	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-(cyclopentyloxy)benzenolate
+CC(C)COc1cccc(c1[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N	656	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate
+c1cc2c(cc1OC(F)(F)F)sc(n2)N	657	6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
+Cc1cc(n(n1)c2nccc(n2)Nc3ccc(cc3)Cl)C	658	n-(4-chlorophenyl)-2-(3,5-dimethyl-1h-pyrazol-1-yl)pyrimidin-4-amine
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)F)O	659	n-[(e)-3-[(2r,3r,4s,5r)-3-fluoro-4-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+Cc1c2c(c3c(nc2[nH]n1)CC(CC3=O)(C)C)c4ccccc4OC	65A	4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one
+Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N	65B	4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
+Cc1c[nH]c(n1)c2cnc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(cn4)C#N	65C	chir99021
+CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O	65D	octyl 3,4,5-trihydroxybenzoate
+Cc1c2c(nc(nc2n(c1Sc3ccc(cc3)OC)C)N)N	65H	6-[(4-methoxyphenyl)sulfanyl]-5,7-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC)COP(=O)(O)OCCN	65I	(9r,12r)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate
+CCn1c2c(c(c1Sc3cccc(c3)OC)C)c(nc(n2)N)N	65J	7-ethyl-6-[(3-methoxyphenyl)sulfanyl]-5-methyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+[H]/N=C(/c1ccc(cc1)C(=O)O)\N	65K	4-carbamimidoylbenzoic acid
+c1cc(c(cc1n2ccc(n2)CO)F)Nc3cc4c(ccc(n4)OC5CCNCC5)cn3	65L	[1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol
+CN(c1ccc(cc1)OC(F)(F)F)c2ccc3c(n2)c(nc(n3)N)N	65N	n~6~-methyl-n~6~-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine
+Cc1c2c(nc(nc2sc1Sc3cccc4c3cccc4)N)N	65O	5-methyl-6-(naphthalen-1-ylsulfanyl)thieno[2,3-d]pyrimidine-2,4-diamine
+Cc1c(ccc2c1CCCO2)c3c4ccn(c4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)Cc5ccc(c(c5)F)F	65P	(2s)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2h-chromen-6-yl)-1h-pyrrolo[2,3-b]pyridin-5-yl]acetic acid
+Cc1c2c(nc(nc2sc1Sc3cccc(c3)OC(F)(F)F)N)N	65Q	5-methyl-6-{[3-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine
+c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4ccncc4	65R	2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide
+C(C(=O)C(=O)O)F	65S	3-fluoro-2-oxopropanoic acid
+CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3cc(on3)Cc4ccccc4	65U	5-benzyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
+c1cc(cc(c1)Oc2cccc3c2ccc(n3)c4cn(nn4)c5ccc(c(c5)F)O)C(=O)O	65V	3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid
+CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3	65W	2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid
+c1ccc(cc1)c2c3cc(ccc3nc(c2c4[nH]nnn4)N5CCCCC5)Cl	65X	6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1h-tetrazol-5-yl)quinoline
+CC(C)c1cccc(c1)c2c3cc(ccc3nc(c2C(=O)O)C(C)C)Cl	65Y	6-chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid
+c1ccc(cc1)c2c3cc(cc(c3nc(c2C(=O)O)N4CCCCC4)Cl)Cl	65Z	6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	660	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid
+CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)C)O	662	5-(4-fluorophenyl)-2,3-dihydroxy-n-[(e)-3-[(2r,3r,4r,5r)-4-hydroxy-3-methyl-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]benzamide
+Cn1ccnc1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl	663	3-chloro-n-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1h-imidazol-2-yl)methyl]thiophene-2-carboxamide
+Cn1c(cc2c1CCNC2=O)c3ccnc(n3)Nc4cc(ccc4OC(F)(F)F)N5CCN(CC5)C	664	1-methyl-2-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1cc(cc(c1)Br)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3	665	(3s)-n-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
+C[C@@H]1CC(=O)NN=C1c2ccc(cc2)NC3=C(C(=O)CCC3)Cc4cccc(c4)I	666	6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one
+c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3	667	6-oxo-8,9,10,11-tetrahydro-7h-cyclohepta[c][1]benzopyran-3-o-sulfamate
+CC(C)[C@@](C(=O)N1CCC(CC1)C2CCN(CC2)c3ccc(c(c3)Cl)C(=O)N(C)C)(C(F)(F)F)O	668	2-chloro-4-{1'-[(2r)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-n,n-dimethylbenzamide
+c1cc(c(c(c1)Cl)COc2ccc3c(c2)cc(n3CCCCCC(=O)O)C(=O)O)Cl	669	1-(5-carboxypentyl)-5-(2,6-dichlorobenzyloxy)-1h-indole-2-carboxylic acid
+c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	66A	7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCCC(=O)O	66B	(8e,12z,15z,18z,21z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid
+c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)c5ccc(cc5)C[C@@H](C(=O)O)N)C(=O)CCN	66C	4-[8-(beta-alanyl)-8,9-dihydro-1h-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-l-phenylalanine
+CC[C@@H](C)C[C@@](C)(C(=O)O)N	66D	(4r)-2,4-dimethyl-l-norleucine
+CCN[C@@H](C(C)C)C(=O)O	66E	n-ethyl-l-valine
+C[C@]1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F	66F	n-{3-[(5r)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2h-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
+C1C[C@H](NC1)C2=N/C(=C(/O)\S)/C(=O)O2	66G	(4z)-4-[hydroxy(sulfanyl)methylidene]-2-[(2s)-pyrrolidin-2-yl]-1,3-oxazol-5(4h)-one
+[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)NC(=O)c4ccco4	66H	n-{3-[(2e,4r)-2-imino-1-methyl-5-oxo-4-phenylimidazolidin-4-yl]phenyl}furan-2-carboxamide
+[H]/N=C/1\N[C@](CS(=O)(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl	66J	(3e,5s)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide
+Cc1ccc(cc1OC2CCN(CC2)C(=O)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	66K	4-[(4-methylpiperazin-1-yl)methyl]-n-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide
+c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cnc(c5)OCCN6CCOCC6)F	66L	n-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCCCCC(=O)N[C@H](CC(=O)O)C(=O)O)O)O)N	66M	(2r)-2-{[6-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name)
+C[C@@H](C(=O)N)N	66N	l-alaninamide
+C[C@H]1[C@H](C([C@@H]([C@@H](O1)O)O)O)O	66O	alpha-l-6-dexoy-gulopyranose
+c1ccc2c(c1)[nH]c(n2)C3=C(C=CNC3=O)NC4CCC(CC4)N	66P	4-[(4-aminocyclohexyl)amino]-3-(1h-benzimidazol-2-yl)-1h-pyridin-2-one
+COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[C@@H]4c5c(c6ccccc6[nH]5)C[C@H](N4)C(=O)O	66R	trans-ned 19
+CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	66S	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate
+C[C@@H]1CN(C[C@@H](N1)C)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)CCc4cc(cc(c4)OC)OC	66T	n-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]benzamide
+C([C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N)O	66U	(1r,2s,3s,4r,5s,6r)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+C(CCCCN=[N+]=N)CCCN[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)CO	66V	1-(8-{[(1s,2r,3s,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium
+CNc1nccc(n1)N2CC[C@@H](C2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCOCC4	66X	n-{(3s)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl}-n'-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}urea
+C1[C@@H]2C=C[C@H]1NC2=O	66Y	(1s,4r)-2-azabicyclo[2.2.1]hept-5-en-3-one
+C1[C@H]2C=C[C@@H]1NC2=O	66Z	(1~{s},4~{r})-3-azabicyclo[2.2.1]hept-5-en-2-one
+c1cc(ccc1n2cc(nn2)C34C5=C6[Fe]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N	670	p-(4-ferrocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide
+c1ccc2c(c1)cccc2[C@H]3CCCN3C(=O)CNC(=O)NCc4ccc(cc4)N	671	1-(4-aminobenzyl)-3-{2-[(2r)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)/C(=N\[H])/N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)/N	672	(s)-4-(4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carbonyl)piperidine-1-carboximidamide
+CC(C)NCCCOc1ccc(cc1CC=C)c2ccccc2	673	n-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine
+c1cc(ccc1C2=COc3cc(c(cc3C2=O)O)O)O	674	6,7-dihydroxy-3-(4-hydroxyphenyl)-4h-chromen-4-one
+[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)\N	675	6-[(z)-amino(imino)methyl]-n-phenyl-2-naphthamide
+c1ccc(cc1)[C@@H](CN)NC(=O)C[C@H]2CNC(=O)c3n2cc(c3)c4ccnc(c4)F	676	n-[(1s)-2-amino-1-phenylethyl]-2-[(4s)-7-(2-fluoro-4-pyridinyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide
+CS(=O)(=O)c1ccc2c(c1)nc3n2C[C@@H]([C@H](C3)c4cc(c(cc4F)F)F)N	677	(2r,3r)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine
+c1cc2c(cc1C(=[NH2+])N)cc([nH]2)c3cc(cc(c3[O-])Br)CC(=O)[O-]	678	(3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-5-bromo-4-oxidophenyl)acetate
+c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)C(=O)O)Cl	679	2-chloro-5-[4-(3-chloro-phenyl)-2,5-dioxo-2,5-dihydro-1h-pyrrol-3-ylamino]-benzoic acid
+c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F	67A	3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1h)-one
+CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C	67B	n,n-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)benzamide
+CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C	67C	3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl]-n,n-dimethylbenzamide
+c1ccc2c(c1)c(c[nH]2)CCC(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncn6c5ncc6)O)O	67D	3-(5-o-{[3-(1h-indol-3-yl)propanoyl]sulfamoyl}-beta-d-ribofuranosyl)-3h-imidazo[2,1-i]purine
+CC(C)[C@@H](C(=O)O)N(CCNC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3	67F	(2s)-2-{[2-({[(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name)
+c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)[C@H]4C[C@@H]4C#N)C(F)(F)F	67G	(1s,2s)-2-[7-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-5-oxo-2-(trifluoromethyl)-5h-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile
+CCN(CC1=CC(=O)N2C(=C(SC2=N1)C)C(=O)NC)c3ccc(cc3)F	67H	7-{[ethyl(4-fluorophenyl)amino]methyl}-n,2-dimethyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
+CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cc3cccc(c3F)C(F)(F)F)C	67J	n-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
+c1ccnc(c1)c2cc(cc(n2)C=O)O	67K	4-hydroxy[2,2'-bipyridine]-6-carbaldehyde
+c1ccnc(c1)c2cc(cc(n2)CO)O	67L	6-(hydroxymethyl)[2,2'-bipyridin]-4-ol
+CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4	67M	(2r)-2-[({1-[3-({(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2h-pyran-2-yl}oxy)propyl]-1h-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name)
+CN1C=Cc2cc[nH]c2C1=O	67N	6-methyl-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+Cc1cc2ccc1[C@H](COC(=O)Nc3cc(c(c(c3)F)O)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C	67O	(2r,15r)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
+c1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(c(c3)Cl)F	67P	n-({4-[2-(benzenecarbonyl)hydrazinecarbonyl]phenyl}methyl)-3-chloro-4-fluorobenzene-1-sulfonamide
+Cc1c(ncc(n1)C(=O)NCC2=SC(=NC2)C)CNS(=O)(=O)c3ccc(c(c3)F)F	67Q	5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-n-[(2-methyl-4h-1lambda~4~,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
+Cc1ncc(s1)CNC(=O)c2cnc(cn2)CNS(=O)(=O)c3ccc(c(c3)Cl)F	67R	5-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
+CC(C)[C@@H]1CN(CCN1c2ncc(c(n2)C(F)(F)F)CO)c3ccc(c(c3)S(=O)(=O)C)CO	67S	{2-[(2r)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol
+C[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(nc(n4)N)N)C#N	67T	2,4-diamino-6-{[(1s)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile
+CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br	67U	6-bromo-2-[1-methyl-3-(propan-2-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridine
+Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)C(=O)OC	67V	methyl 8-cyclopropyl-2-methyl-9h-pyrido[2,3-b]indole-3-carboxylate
+c1ccc(c(c1)CC(=O)O)C(=O)Nc2ccc(cc2)c3cc[nH]n3	67W	(2-{[4-(1h-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid
+C[C@@H]1Cc2cccc(c2NC1)S(=O)(=O)N	67X	(3r)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
+c1ccc2c(c1)CCC[C@H]2NC(=O)CO	67Y	2-hydroxy-n-[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
+COc1ccc(c(c1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)OC	67Z	1-(4-aminobenzyl)-3-{2-[(2r)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea
+CNC1=C(C(=O)NC(=N1)N)[N+](=O)[O-]	680	6-methylamino-5-nitroisocytosine
+CC(C)[C@@H]([C@@H](c1nnc(o1)C(C)(C)C)O)NC(=O)CN2C(=NC=C(C2=O)N)c3ccccc3	681	2-(5-amino-6-oxo-2-phenyl-6h-pyrimidin-1-yl)-n-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-(methylethyl)-2-hydroxyethyl]acetamide
+[H]/N=C(\N)/NCCC[C@@H]([C@@H](c1nccs1)O)NC(=O)[C@H](C(C)C)NC(=O)N	682	n~2~-(aminocarbonyl)-n~1~-{4-{[amino(imino)methyl]amino}-1-[hydroxy(1,3-thiazol-2-yl)methyl]butyl}valinamide
+Cc1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O	683	2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid
+c1ccc2c(c1)C=Cc3cc(ccc3N2Cc4cnc5c(n4)c(nc(n5)N)N)OCCCC(=O)O	684	4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5h-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid
+Cc1cc(cc(c1)Nc2nccc(n2)c3nc(c(s3)C(=O)N[C@@H](C)CO)C)C	685	2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-n-[(1s)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
+c1cc(ccc1CN(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)c2ccc(nc2)N3CCN(CC3)c4ccc(cc4)N5CCN(CC5)C(=O)c6ccc(c(c6)C7=C8C=CC(=O)C=C8Oc9c7ccc(c9)O)C(=O)O)Br	686	n-({(1s)-5-[(4-bromobenzyl)({6-[4-(4-{4-[4-carboxy-3-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoyl]piperazin-1-yl}phenyl)piperazin-1-yl]pyridin-3-yl}carbonyl)amino]-1-carboxypentyl}carbamoyl)-l-glutamic acid
+CC(=O)N[C@@H](Cc1ccc(c(c1)C=O)OP(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	687	n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3-formyl-o-phosphonotyrosinamide
+c1cc(cc(c1)Oc2cc(cc(n2)Oc3cc(ccc3O)C(=N)N)C(=O)O)c4[nH]ccn4	688	2-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1h-imidazol-2-yl)phenoxy]pyridine-4-carboxylic acid
+C[C@H]1C=C([C@@H]2[C@@H]([C@]1(CO[C@@H]2c3ccc(cc3)O)CO)C)C	689	4-[(1s,2s,5s)-5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
+Cc1c2c(sc1C(=O)O)N=CN(C2=O)C	68A	3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
+c1ccc(cc1)C(=O)Nc2cncnc2	68B	n-(pyrimidin-5-yl)benzamide
+Cc1c2c(sc1C(=O)Nc3nncs3)N=CNC2=O	68C	5-methyl-4-oxo-n-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
+Cc1c2c(sc1C(=O)Nc3ccccc3CC(=O)O)N=CNC2=O	68D	{2-[(5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl}acetic acid
+Cc1cc(c(cc1C(=O)NS(=O)(=O)c2cccc3c2nccc3)c4ccc(s4)C#CCO)OC	68E	5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-n-[(quinolin-8-yl)sulfonyl]benzamide
+C[C@H]1[C@H]([C@H]([C@@H](N1)CCCC[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O)O)O	68F	(2s,3s,4r,5s,2's,3's,4'r,5's)-2,2'-(butane-1,4-diyl)bis(5-methylpyrrolidine-3,4-diol)
+CCc1c(c2n3c1C=C4C(=C5C6=[N]4[Mg]37[N]8=C(C=C9N7C(=C6[C@](C5=O)(C(=O)OC)O)C(=C9C)CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)CC)C)C)C	68G	13'2-hydroxyl-chlorophyll a
+CC(C)(C)NC[C@@H](c1ccc(c(c1)CO)O)O	68H	salbutamol
+CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3C#CCC4(CC4)NC(=O)c5ccc(cc5)F	68J	n-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide
+CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3CCc4ccc(cn4)NC(=O)c5ccc(cc5)F	68K	n-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide
+c1cc2c(cc1NC(=O)c3ccc(cn3)Cl)[C@@]4(COC(=N4)N)c5cc(ncc5O2)C6=CCCOC6	68L	n-[(5s)-2'-amino-3-(5,6-dihydro-2h-pyran-3-yl)-5'h-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-7-yl]-5-chloropyridine-2-carboxamide
+Cc1cccnc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)NCCC(C)(C)C	68M	(2r)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-n-(3,3-dimethylbutyl)-2-methylpropanamide
+c1ccc2c(c1)CCN[C@@H]2CO	68N	[(1s)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
+CCc1cc(c(cc1F)Oc2ccccc2F)O	68O	5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol
+CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F	68P	(1s)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
+c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O	68Q	3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid
+C[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(ncn4)N)C#Cc5c[nH]nc5	68R	2-[(1s)-1-({6-amino-5-[(1h-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3h)-one
+COc1cccc(c1)S(=O)(=O)NC(=O)c2cc(c(cc2OC)OC)c3ccc(s3)C#CCO	68T	5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-n-[(3-methoxyphenyl)sulfonyl]benzamide
+CNC(=O)c1ccc2cncc(c2n1)c3ccc4c(c3)CS(=O)(=O)N4C	68U	n-methyl-8-(1-methyl-2,2-dioxo-2,3-dihydro-1h-2lambda~6~,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide
+c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Br)C(=O)O	68V	3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid
+c1ccc(cc1)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)O	68W	3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid
+C[C@@H]1CC(=O)Nc2ccc(cc2N1)O[C@H](C)c3ccccc3	68Y	(4r)-4-methyl-7-[(1r)-1-phenylethoxy]-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C3=C(C(=O)NC(=N3)N)NC2=O	68Z	1r,2s,4r)-4-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-2-oxidanyl-cyclopentyl]methyl dihydrogen phosphate
+B1(c2ccccc2[C@H](O1)CCN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)O	690	5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3r)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-n-methyl-1-benzofuran-3-carboxamide
+CC(=O)Nc1cc2ccccc2nc1	691	n-(quinolin-3-yl)acetamide
+CNCc1ccccc1c2cccs2	692	n-methyl-1-(2-thiophen-2-ylphenyl)methanamine
+c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-])F	693	2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-fluoro-6-oxido-1,1'-biphenyl-3-yl)succinate
+c1cc(ccc1c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)O	694	4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thiophene-2-carboxylic acid
+CC(=O)NCCc1cccc2c1cc(cc2)S(=O)(=O)NC	695	n-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide
+c1ccc(cc1)c2cccc(c2[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N	696	3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-1,1'-biphenyl-2-olate
+c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O	697	5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile
+CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)C(=O)O)C(=O)O	698	(2s,4s,5r)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid
+CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(F)(F)F)c3cccs3)C(=O)O)C(=O)O	699	(2s,4s,5r)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid
+C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCc3ccccc3	69A	(4r)-n-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-6-carboxamide
+C[C@@H]1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)C5CC5	69B	(4r)-6-(3-cyclopropyl-1-methyl-1h-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+CSc1c2c(c(s1)c3cc[nH]n3)C[C@@H](NC2=O)c4ccccc4	69C	(6r)-3-(methylsulfanyl)-6-phenyl-1-(1h-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5h)-one
+CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)Br	69D	(1s)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile
+C[C@@H]1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)c5cnn(c5)C	69E	(4r)-4-methyl-6-[1-methyl-3-(1-methyl-1h-pyrazol-4-yl)-1h-indazol-5-yl]-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cccc(c3)OCc4ccccc4	69F	(4r)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+C/C=C/CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C	69G	3-{6-[(2e)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl}-n,n-dimethylbenzamide
+CCCCCCc1cc(c(cc1F)Oc2ccccc2C)O	69H	4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol
+CCc1cc(c(cc1F)Oc2ccccc2[N+](=O)[O-])O	69J	5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol
+CCc1cc(c(cc1F)Oc2cccnc2C)O	69K	5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol
+c1cc(cc(c1)c2c(n[nH]c2N)c3ccc(cc3)O)c4cccc(c4)N	69M	4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1h-pyrazol-3-yl]phenol
+CCCC(=O)C(=O)O	69O	2-oxopentanoic acid
+c1[nH]c2c(n1)c(ncn2)N3CCNCC3	69P	6-piperazin-1-yl-9h-purine
+CC(C)(CNc1nc(nc(n1)Nc2ccnc(c2)C(F)(F)F)c3cccc(n3)C(F)(F)F)O	69Q	2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol
+c1cc(ccc1c2c(n[nH]c2NCc3c[nH]cn3)c4ccc(cc4)O)O	69R	4,4'-(5-{[(1h-imidazol-4-yl)methyl]amino}-1h-pyrazole-3,4-diyl)diphenol
+c1cc(cc(c1)N)c2cc(ccc2O)c3c(n[nH]c3N)c4ccc(cc4)O	69S	3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1h-pyrazol-4-yl][1,1'-biphenyl]-2-ol
+c1cc(ccc1c2cc([nH]n2)Nc3ccc(cc3)O)O	69T	4-{5-[(4-hydroxyphenyl)amino]-1h-pyrazol-3-yl}phenol
+c1cc(ccc1CNc2c(c(n[nH]2)c3ccc(cc3)O)c4ccc(cc4)O)O	69U	4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1h-pyrazole-3,4-diyl)diphenol
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)NC(=O)Cc5ccccc5	69V	2-phenyl-n-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+c1cc(cc(c1)c2cn[nH]c2N)c3cccc(c3)N	69W	4-(3'-amino[1,1'-biphenyl]-3-yl)-1h-pyrazol-5-amine
+c1ccc(cc1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(F)(F)F	69Y	4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one
+Cc1ncc2n1nc(s2)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl	69Z	[(2s)-2-(4-chlorophenyl)pyrrolidin-1-yl](5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone
+C(CC[C@@H](C(=O)O)N)CCC(=O)NO	6A0	(2s)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid
+C[N+](C)(CCNC1CCc2c3c1c(c4cc(ccc4n3cn2)OC)O)O	6A1	hydroxy(2-{[(5s)-6-hydroxy-8-methoxy-4,5-dihydro-3h-imidazo[4,5,1-de]acridin-5-yl]amino}ethyl)dimethylammonium
+CCCCCCCCCCCCCC(=O)OC[C@H]1COP(=S)(O1)[S-]	6A4	(4s)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate
+Cc1c(c(n2cc(nc2n1)C(=O)N3CCOCC3)c4ccc(cc4Cl)Cl)CN	6A5	sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone
+c1cc(ccc1[C@@H]2CCCCN2C(=O)c3ccc4c(c3)c(n[nH]4)N)F	6A6	(3-amino-1h-indazol-5-yl)[(2s)-2-(4-fluorophenyl)piperidin-1-yl]methanone
+Cc1c2cc(cnc2[nH]n1)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl	6A7	[(2s)-2-(4-chlorophenyl)pyrrolidin-1-yl](3-methyl-1h-pyrazolo[3,4-b]pyridin-5-yl)methanone
+[H]/N=C(\N)/NCCC[C@@H](B1OC[C@@H](O1)CO)NC(=O)[C@H](Cc2ccc(cc2)CN)NC(=O)c3ccccc3	6A8	((r)-1-((s)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol
+COCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O	6A9	 n-9'-methoxynonyl-1-deoxynojirimycin
+c1ccc(c(c1)C(=O)O)N	6AB	6-aminobenzoic acid
+C=CC#N	6AC	prop-2-enenitrile
+CSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N	6AD	2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate)
+C[C@H]([C@@H](C)O)Nc1ccnc(n1)Nc2ccc(cc2)S(=O)(=O)N	6AE	4-[(4-{[(2r,3r)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide
+C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)Br)O	6AF	(2r,3r)-3-[(5-bromo-2-{[4-(s-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol
+C(CCCO)CCN	6AH	6-aminohexan-1-ol
+c1cc2cn[nH]c2cc1N	6AI	1h-indazol-6-amine
+CN1C(=O)CN2C1=Nc3c(n(c(n3)N4CCC[C@H](C4)N)Cc5cc(ccc5C#N)F)C2=O	6AJ	2-({2-[(3r)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1h-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cc(cc6c5ccn6C)C(=O)O)c7c(nn(c7C)C)C)Cl	6AK	4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}-1-methyl-1h-indole-6-carboxylic acid
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)Nc4cccc(c4)C(=O)O)c5c(nn(c5C)C)C)Cl	6AL	3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-1h-indole-2-carbonyl}amino)benzoic acid
+c1(nc(nc(n1)O)N)N	6AM	4,6-diamino-1,3,5-triazin-2-ol
+c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=C3C=CCC=C3	6AN	6-[(1e)-cyclohexa-2,4-dien-1-ylideneamino]naphthalene-2-sulfonate
+[H]/N=C/[C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](CC)N	6AO	(2s)-2-azanyl-n-[(2s)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide
+c1[nH]c2c(n1)c(nc(n2)N)N	6AP	9h-purine-2,6-diamine
+c1cc(ccc1n2ccnc2)F	6AQ	1-(4-fluorophenyl)-1h-imidazole
+c1cc(ccc1n2ccnc2)Br	6AR	1-(4-bromophenyl)-1h-imidazole
+CCCCCCSC1=C([C@@](C(CC1=O)(C)C)(/C=C/C(=C\C(=O)O)/C)O)C	6AS	(2z,4e)-5-[(1s)-3-(hexylsulfanyl)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
+CSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N	6AT	2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate)
+CC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	6AU	6-acetyluridine 5'-phosphate
+c1cc(c(cc1Cl)N)n2ccnc2	6AV	5-chloro-2-(1h-imidazol-1-yl)aniline
+CC[C@@H](CC[C@H](CC)NC(=O)OCc1cncs1)NC(=O)[C@H](CO)NC(=O)N(C)Cc2csc(n2)C(C)C	6AW	1,3-thiazol-5-ylmethyl [(3s,6s)-6-{[n-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-seryl]amino}octan-3-yl]carbamate
+c1cc(ccc1Cc2nnc(o2)N)Cl	6AX	5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
+Cn1c2c(cn1)c(ncn2)NCc3ccc(cc3)Cl	6AY	n-[(4-chlorophenyl)methyl]-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N=[N+]=[N-]	6AZ	6-azidouridine 5'-(dihydrogen phosphate)
+c1cc(c(c(c1)Cl)Cl)CO	6B0	(2,3-dichlorophenyl)methanol
+c1c2c(cc(c1Cl)Cl)nc([nH]2)CO	6B1	(5,6-dichloro-1h-benzimidazol-2-yl)methanol
+CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NS(=O)(=O)CC(C)C)c4ccc(cc4)Cl)C	6B2	n-[(2r,3s)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide
+c1ccc2c(c1)-c3ccc(cc3NC2=O)NC(=O)c4ccccc4c5ccccc5C(=O)O	6B3	2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid
+CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N	6B4	1-(4-aminobenzyl)-3-(2-{(2r)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea
+COc1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O	6B5	2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4h-1-chromen-4-one
+O[Pt](O)(O)O	6B6	platinum(4+) tetrahydroxide
+CCCOC(=O)CS[C@@H]1[C@@H](C(=N[C@@H]1C(=O)O)[C@H](C=O)[C@@H](C)O)C	6B7	(2~{r},3~{r},4~{r})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-2-carboxylic acid
+C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)SC	6B8	(2s,3r,4r)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+c1cc(c(cc1/N=C/S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O	6B9	2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[(e)-(sulfanylmethylidene)amino]benzoic acid
+c1ccc(c(c1)n2cc(cn2)c3ccncc3OCC4CCNCC4)F	6BB	4-[1-(2-fluorophenyl)-1h-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine
+c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C#N)Cl	6BC	5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+C[C@@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)O	6BD	(2s)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid
+CC(C)COc1cnccc1c2cnn(c2)c3ccc(cc3)N4CCN(CC4)C	6BE	1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1h-pyrazol-1-yl}phenyl)piperazine
+CN1CCN(CC1)c2ccc(cc2)n3cc(cn3)c4ccncc4OCC5CCNCC5	6BF	1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1h-pyrazol-1-yl)phenyl]piperazine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)Br	6BG	6-bromo-6-deoxy-beta-d-glucopyranose
+c1ccc(cc1)COc2cccc(c2)NC(=O)c3cccc(c3)[N+](=O)[O-]	6BH	n-[3-(benzyloxy)phenyl]-3-nitrobenzamide
+c1ccnc(c1)CNC(=O)c2ccc(cc2)n3cc(cn3)c4ccncc4	6BJ	n-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1h-pyrazol-1-yl]benzamide
+c1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O	6BK	2-(3,4-dihydroxyphenyl)-5-hydroxy-4h-1-benzopyran-4-one
+Cc1c-2c([nH]n1)OC(=O)c3c2cccc3	6BL	1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3h)-one
+C1C[C@@H](C(=O)N(C1)O)P(=O)(O)O	6BM	[(3s)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid
+CCC1=C(C(=O)NC(=C1)C)CN2CCc3c(cc(c(c3C2=O)Cl)OC4CCN(CC4)C(=O)[C@@H](C)O)Cl	6BN	5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2r)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2h)-one
+Br[Pt](Br)(Br)(Br)(Br)Br	6BP	hexabromoplatinate(iv)
+C[C@@H]1CC/C=C/C[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)OP(=O)(O)O)CCO)C)O	6BQ	phosphorylated josamycin
+C[C@H]([C@@H](C(=O)O)N)O[V](=O)([O-])([O-])[O-]	6BR	threoninevanadate
+Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NCCC(C)(C)C	6BS	3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-(3,3-dimethylbutyl)propanamide
+c1ccc2c(c1)CCN[C@H]2CO	6BT	[(1r)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
+c1cc(cc(c1)NS(=O)(=O)C2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5	6BU	n-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1h-indazol-3-yl)cyclopropanecarboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	6BV	(2~{r},3~{s},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol
+C[C@@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C	6BW	(2r,5s,10r)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene
+C1COCCN1C[C@@H](CS(=O)(=O)O)O	6BX	(2s)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid
+C1COCCN1C[C@H](CS(=O)(=O)O)O	6BY	(2r)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid
+CC1=NC=CN(C1=O)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCN)NC	6BZ	8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2h)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(o3)Cl)Cl)O)O	6C0	methyl 3-chloro-2-(2-{1-[(5-chlorofuran-2-yl)methyl]-1h-imidazol-2-yl}ethyl)-4,6-dihydroxybenzoate
+B(c1ccccc1OCc2cccc(c2)Cl)(O)O	6C1	{2-[(3-chlorophenyl)methoxy]phenyl}boronic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)C(=O)O)O)O	6C2	methyl 2-acetamido-2-deoxy-beta-d-glucopyranosiduronic acid
+Cc1cc(on1)C2=C(c3cc(ccc3NC2=O)Cl)c4ccccc4	6C3	6-chloro-3-(3-methylisoxazol-5-yl)-4-phenylquinolin-2(1h)-one
+C1CCC(C1)CNC(=O)C2CCCC2	6C4	n-(cyclopentylmethyl)cyclopentanecarboxamide
+C1CCC(C1)CNC(=O)N2CCCC2	6C5	n-(cyclopentylmethyl)pyrrolidine-1-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC4CCCC4	6C6	 n-cyclopentyladenosine 5'-(dihydrogen phosphate)
+CC(=CCSP(=O)(O)OP(=O)(O)O)C	6C7	s-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate
+c1cocc1/C=C/C(=O)N2CCCC2	6C8	(2e)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
+C1CCN(C1)C(=O)NC[C@@H]2CCOC2	6C9	n-{[(3s)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O	6CA	4'-{6-[4-(2-carboxyphenylamino)-phenoxy]-hexyloxy}-biphenyl-4-carboxylic acid
+Cc1cc(cc(n1)N)c2ccncc2NC(=O)c3c(ccc(n3)c4ccccc4F)N	6CB	3-amino-n-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide
+c1cc(c(cc1c2csc(n2)N)S(=O)(=O)N)Cl	6CC	5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide
+C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C)NC(C)(C)C)C(=O)N1	6CD	2-(tert-butylamino)-3-methyl-8-[(6r)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3h)-one
+c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)SC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4NC(=NC5=O)N)O)O	6CE	5'-s-[(s)-hydroxy{[2-(1h-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O	6CF	2'-deoxy-5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O)O)O)NC(=NC2=O)N	6CG	5'-s-phosphono-5'-thioguanosine
+CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@]1C[C@@H]2c3cc(nn3C)c4ccc(cc4)OC	6CH	[(1~{s},2~{r},4~{s},5~{r})-5-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl ~{n}-propylcarbamate
+c1ccc(cc1)C2=CC(=C3N(C2=O)c4cc(ccc4S3)OC5CCCCC5)C(=O)N[C@@H](Cc6ccc(cc6)O)C(=O)O	6CJ	n-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1h-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-l-tyrosine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)O)O)N=C(NC2=O)N	6CK	[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(trifluoromethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate (non-preferred name)
+C(C[C@H](C(=O)O)[NH3+])C[C@@H](C(=O)O)N	6CL	6-carboxylysine
+CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO)NC(=O)CCCCC)O	6CM	n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)hexanamide
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N	6CN	6-cyanouridine 5'-phosphate
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccccc9)C=C)C	6CO	[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)](phenyl)iron
+c1cc(cc(c1)Cl)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	6CP	6-cyclohexylmethoxy-2-(3'-chloroanilino) purine
+Cc1cccc(c1)[Fe]234n5c6c(c(c5C=C7[N]2=C(C=C8N3C(=CC9=[N]4C(=C6)C(=C9C)C=C)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C=C)C	6CQ	[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)](3-methylphenyl)iron
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)nc(nc2Cl)N	6CR	6-chloro-9-(beta-d-ribofuranosyl)-9h-purin-2-amine
+CC1=N[C@@H]([C@H](CN1)O)C(=O)O	6CS	(4s,5s)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@@H]1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C	6CT	phosphoric acid mono-[5-hydroxymethyl-2-methyl-3-thyminyl-cyclopentylmethyl]ester group
+CC[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c4ccccc4[nH]c3C2(C)C)C	6CU	(6as,9r,10r,10as)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole
+c1cc(cc(c1)Br)C[C@@H](C(=O)O)N	6CV	3-bromo-l-phenylalanine
+c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)O)N	6CW	6-chloro-l-tryptophan
+c1c(nc[nH]1)CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	6CX	5'-{[(3s)-3-amino-3-carboxypropyl][(1h-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine
+CC(=O)N1CCN(CC1)C(=O)c2cccc(c2)c3c4cc(ccc4ncn3)c5cc(c(nc5)OC)C#N	6CY	5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile
+CCOC(=O)C(=O)CN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6CZ	5'-{[(3s)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CC(=O)CBr)O)O)N	6D0	5'-{[(3s)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCCl)O)O)N	6D1	5'-{[(3s)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine
+[H]/N=C(/N)\NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6D2	5'-{[(3s)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine
+c1c(nnn1CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C[C@@H](C(=O)O)N	6D3	(2s)-2-amino-4-[(3-{4-[(2s)-2-amino-2-carboxyethyl]-1h-1,2,3-triazol-1-yl}propyl){[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCNNN)O)O)N	6D4	5'-{[(3s)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN=[N+]=[N-])CC[C@@H](C(=O)O)N)O)O)N	6D5	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN)CC[C@@H](C(=O)O)N)O)O)N	6D6	5'-{[(3s)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine
+CNC(=O)c1ccc2cc(ccc2c1)[C@@]3(CCn4c3cnc4)O	6D7	(r)-orteronel
+CC(C)[C@](c1ccc2cc(c(cc2c1)OC(F)F)OC(F)F)(c3c[nH]nn3)O	6D8	vt-464
+c1ccc(cc1)c2cc3c(cn2)ncc4c3n(cn4)c5ccc6c(c5)sc(n6)NCCN7CCOCC7	6DA	n-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1h-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O	6DB	octopine
+CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(=O)N(C=N3)C	6DC	n-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(c2)c(nc(n3)N)O)C=O	6DD	n-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)methyl](formyl)amino}benzoyl)-l-glutamic acid
+CCOC(=O)c1c(nn(c1C)c2ccccc2Cl)C	6DE	1-(2-chlorophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](C)c2ccccc2)O	6DF	[6-methyl-5-oxidanyl-4-[(~{e})-[(1~{r})-1-phenylethyl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
+c1cnc2c3c(nn2c1)CN(C3)[C@@H]4C[C@@H]([C@H](OC4)c5cc(ccc5F)F)N	6DG	(2r,3s,5r)-2-(2,5-difluorophenyl)-5-(7h-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9h)-yl)oxan-3-amine
+c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO	6DH	3-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]propan-1-ol
+CCCC/N=C\1/N2C[C@@H]([C@H]([C@H]([C@H]2CS1)O)O)O	6DJ	(3z,6s,7r,8s,8as)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol
+c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O	6DK	9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{n}-phenyl-nonanamide
+c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F	6DL	5-(5-bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O	6DM	6-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose
+C(CCNCC(=O)O)C[C@@H](C(=O)O)N	6DN	(2~{s})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC	6DO	(2~{s})-2-[[(2~{r},3~{r})-3-methoxy-3-[(2~{s})-1-[(3~{r},4~{s},5~{s})-3-methoxy-5-methyl-4-[methyl-[(2~{s})-3-methyl-2-[[(2~{s})-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid
+CS(=O)(=O)Nc1cccc2c1cn[nH]2	6DP	~{n}-(1~{h}-indazol-4-yl)methanesulfonamide
+c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3	6DQ	2-pyridin-3-yl-1,3-benzothiazin-4-one
+CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccncc3	6DR	6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
+CCC(CC)(c1ccc(c(c1)C)/C=C/C(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O	6DS	(4s)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid
+Cn1ccc2c1c(ncn2)Oc3ccc(cc3)Nc4[nH]c5ccccc5n4	6DT	n-(4-((5-methyl-5h-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1h-benzimidazol-2-amine
+c1ccc(c(c1)C[C@@H](C(=O)O)N)Br	6DU	2-bromo-l-phenylalanine
+c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCN4CCN(CC4)c5ccc(cc5F)F	6DV	n~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
+c1ccc(cc1)n2c(ccn2)C3=NN(C=C(C3=O)OCCN4CCn5c4nc6c5cccc6)CC7CC7	6DW	1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1h-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one
+c1ccc(cc1)N2CCN(CC2)CCCNc3nc(n4c(n3)nc(n4)c5ccco5)N	6DX	2-(furan-2-yl)-n~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
+c1ccc(cc1)C2CCN(CC2)CCNc3nc(n4c(n3)nc(n4)c5ccco5)N	6DY	2-(furan-2-yl)-n~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
+CN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco4)N	6DZ	2-(furan-2-yl)-n~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
+CCCCCCCCCCCCCCCCCCP(=O)(O)O	6E0	octadecylphosphonic acid
+COc1c(c(c(c(c1F)F)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4c(c(c(c(c4F)F)OC)F)F)O)CO)O)F)F	6E1	3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-d-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-d-galactopyranoside
+COc1c(ccc2c1N=C(N3C2=NCC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5	6E2	2-azanyl-~{n}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide
+CC1=C(N2C(=C(C(=O)N2C1=O)C)C)C	6E3	2,3,5,6-tetramethyl-1h,7h-pyrazolo[1,2-a]pyrazole-1,7-dione
+C(CC(=O)N)[C@@H](C(=O)N)N	6E4	l-glutamamide
+[H]/N=C(/c1cccs1)\Nc2cccc(c2)COC[C@@H]3C[C@@H](CN3)OCc4cccc(c4)N/C(=N\[H])/c5cccs5	6E5	n-[3-({[(3s,5s)-5-{[(3-{[(z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide
+c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@H](CO)O)C#N	6E6	1-[(2r)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+c1ccc(cc1)CCNC(=O)c2ccnc(c2)c3cc(ccn3)C(=O)O	6E7	4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid
+CC1=C(C(=O)n2c(c(cn2)C#N)N1)C(C)C	6E8	5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CN(c1cccc(c1)OC)S(=O)(=O)c2ccc3c(c2)NC(=O)C(=O)N3	6E9	n-(3-methoxyphenyl)-n-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
+c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cncc4c3ccc(n4)c5ccncc5)N	6EA	(1s)-1-(1h-indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine
+Cn1cc(nc1)c2c3c(ccn2)c(nc(n3)OCCCC(F)(F)F)O	6EB	8-(1-methyl-1h-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol
+c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)C(=O)O)O	6EC	5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid
+c1cc2c(cc1F)c(nn2CCN3CCC(CC3)(F)F)Nc4cnccc4C(=O)O	6ED	3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1h-indazol-3-yl}amino)pyridine-4-carboxylic acid
+c1cc(ccc1[C@@H](c2cc(cc(c2)F)F)[C@@H](C(=O)Nc3cncc(c3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCC(F)(F)F)F)N)Cl	6EE	(betas)-4-chloro-beta-(3,5-difluorophenyl)-n-(5-fluoro-4-{2-[(2r,5s)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-l-phenylalaninamide
+COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCc5ccccc5	6EF	n-(2-{2-[(2r,5s)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[C@@H](CO)NCc4ccc(cc4)N	6EG	n-{2-[(3s)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)NCCC[C@@H]3CNCCO3	6EH	nalpha-(methoxycarbonyl)-n-{3-[(2r)-morpholin-2-yl]propyl}-beta-phenyl-l-phenylalaninamide
+Cc1ccc(cc1)OS(=O)(=O)O	6EI	(4-methylphenyl) hydrogen sulfate
+c1cc(c2c3c1C=CC(=O)N3C[C@H]2CN4CCC(CC4)NCc5cc6c(nn5)OCCO6)F	6EJ	(1r)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-4-one
+c1c([nH]c(n1)N)C[C@@H](C(=O)N[C@@H]([C@@H](c2cnc([nH]2)Cl)O)C(=O)O)NC(=O)[C@H](C[C@@H](COC(=O)N)O)NC(=O)[C@@H]3[C@H](CCCN3)O	6EK	(2s,3s)-2-{[(2s)-3-(2-amino-1h-imidazol-5-yl)-2-{[(2s,4s)-5-(carbamoyloxy)-4-hydroxy-2-({[(2s,3s)-3-hydroxypiperidin-2-yl]carbonyl}amino)pentanoyl]amino}propanoyl]amino}-3-(2-chloro-1h-imidazol-5-yl)-3-hydroxypropanoic acid
+c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O	6EL	2-[(3~{r})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione
+CC[C@@H](C(=O)N)[N+](C)(C)C	6EM	(2s)-1-amino-n,n,n-trimethyl-1-oxobutan-2-aminium
+Cn1cc(c2c1nccc2)Nc3cnccc3C(=O)O	6EN	3-[(1-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid
+c1cc(ccc1CC(=O)Nc2cnccc2C(=O)O)Cl	6EO	3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid
+Cc1cc(ccc1COc2ccnn2c3cc(ccn3)C(=O)O)Cl	6EP	2-{5-[(4-chloro-2-methylphenyl)methoxy]-1h-pyrazol-1-yl}pyridine-4-carboxylic acid
+c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)O)C(=O)O	6EQ	4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid
+CCCCCC(=O)OC[C@@H](COP(=O)([OH-])OCC[N+](C)(C)C)OC(=O)CCCCC	6ER	(s)-2,3-bis(hexanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate
+CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)O)O)O	6ES	(2s)-1-{[(r)-hydroxy{[(1r,2r,3s,4s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate
+c1cc(ccc1CCNC(=S)N2CCCc3cc(c(cc3C2)O)O)Cl	6ET	capsazepine
+C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)Cc6ccc(c(c6)OC)O)O)C)O[C@](O3)(O2)Cc7ccccc7)C(=C)C	6EU	resiniferatoxin
+CSc1c2c(cs1)C=CC(=C)C2=O	6EV	5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5h)-one
+CCN1c2ccc(cc2OCC(C1=O)(C)C)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C	6EW	n-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-n-(2,2,2-trifluoroethyl)benzene-1-sulfonamide
+CC(=O)n1ccnc1	6EX	1-(1h-imidazol-1-yl)ethan-1-one
+c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl	6EY	(6r)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1h)-one
+c1cc(ccc1c2ccc(c(c2)NC(=O)C3C[C@H]4CC[C@@H](C3)O4)N)F	6EZ	(3-exo)-n-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide
+c1cc(c(c(c1)F)C(=O)O)N	6F0	2-azanyl-6-fluoranyl-benzoic acid
+CCN1c2ccc(cc2OCC1=O)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C	6F1	n-(4-ethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-3,4-dimethyl-n-(2,2,2-trifluoroethyl)benzene-1-sulfonamide
+Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N6CCN(CC6)C	6F2	[3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
+CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O	6F3	n-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide
+c1cc(sc1)CNc2nnc(s2)N	6F4	n~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine
+CC(C)CCCCC(=O)O	6F5	6-methylheptanoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)COP(=O)(O)O)O	6F7	3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate)
+CCC/C=C\C/C=C\CCCCCCCc1cccc(c1O)O	6F8	3-[(8z,11z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol
+CCC(=O)N1CCOc2c(cc(cc2C(=O)N[C@H]3CCCN(C3)C)c4cc(cc(c4)OC)OC)C1	6F9	7-(3,5-dimethoxyphenyl)-n-[(3s)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
+Cc1cc2c(c(c1C)O)N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	6FA	6-hydroxy-flavin-adenine dinucleotide
+c1cncc2c1cc3c(c2)cnc(n3)N	6FB	pyrido[3,4-g]quinazolin-2-amine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)(O)O)O)SC(F)(F)F	6FC	2'-trifluoromethylthio-2'-deoxycytidine
+c1cncc2c1c(c3c(c2)cnc(n3)N)N	6FD	pyrido[3,4-g]quinazoline-2,10-diamine
+CN(C)c1ccc(cc1)C(=C2C=CC(C=C2)N(C)C)c3ccc(cc3)OC	6FE	4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-n,n-dimethyl-aniline
+CCCN(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F	6FF	5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methyl-n-propylbenzene-1-sulfonamide
+c1cocc1CCC(=O)N2CCCC2	6FG	3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one
+CC[C@H](C)CCCCC(=O)O	6FH	(6~{s})-6-methyloctanoic acid
+CN(Cc1ccco1)C(=O)c2cc(c(cc2O)O)C3=NNC(=O)N3c4ccccc4F	6FJ	5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-n-[(furan-2-yl)methyl]-2,4-dihydroxy-n-methylbenzamide
+CC(=O)N(c1ccccc1)c2nc3c(n2[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)NC(=NC3=O)N	6FK	[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+C([C@@H](C(=O)O)N)C(C(F)(F)F)C(F)(F)F	6FL	5,5,5,5',5',5'-hexafluoro-l-leucine
+C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)O	6FM	2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate)
+C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O	6FN	2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate)
+c1c(nc2c(n1)N=C(NC2=O)N)C=O	6FP	2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde
+c1cc(cc(c1)N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)c5[nH]nnn5	6FQ	2,4-dioxo-10-[3-(1h-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile
+C1CCC(C1)CCS(=O)(=O)N2CCCC2	6FR	1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine
+COc1ccc(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC	6FS	n-[2-methoxy-5-({[(e)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine
+c1cc(ccc1CN2C=C(C(=O)C(=C2)O)C(=O)O)c3ccc(cc3)S(=O)(=O)N	6FT	5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)(O)O)O)SC(F)(F)F	6FU	2'-trifluoromethylthio-2'-deoxyuridine
+c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O	6FV	10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile
+c1cc(ccc1Sc2nc3c(n2[C@H]4[C@@H]([C@H]5[C@H](O4)COP(=O)(O5)O)O)NC(=NC3=O)N)Cl	6FW	2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6h-purin-6-one
+COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O	6FX	methyl 5-(4-oxidanylidene-5~{h}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate
+CC[C@H](C(=O)NCC(=O)O)O[P@H](=O)CC[C@@H](C(=O)O)N	6FY	(2~{s})-2-azanyl-4-[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid
+c1ccc2c(c1)CC(C2)C(=O)O	6FZ	2,3-dihydro-1h-indene-2-carboxylic acid
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	6G0	5'-o-[(r)-hydroxy{[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCC4	6G1	cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
+c1cnccc1COc2cc(cnc2N)c3cnc(s3)C4CCNCC4	6G2	5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine
+CC(C)c1nc(c2n1ccnc2N)c3ccc(c4c3cccc4)NC(=O)Nc5cccc(c5)C(F)(F)F	6G3	n-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-n'-[3-(trifluoromethyl)phenyl]urea
+CCCCCC(=O)CCC(=O)NCCCC[C@@H](C(=O)O)N	6G4	4-oxononanoyl lysine
+C[n+]1cn(c2c1c(nc(n2)N)[O-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)OP(=O)(O)O)(Cl)Cl)O)O)OC	6G6	2-amino-9-{5-o-[(r)-{[(s)-{dichloro[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-o-methyl-beta-d-ribofuranosyl}-7-methyl-9h-purin-7-ium-6-olate
+c1ccc(c(c1)N2C(=NNC2=O)c3ccc(cc3O)O)F	6G7	5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+c1cc2c(cc1NC(=O)C(=O)O)sc(n2)NC(=O)c3cc(c([nH]3)Br)Br	6G9	2-[[2-[[4,5-bis(bromanyl)-1~{h}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid
+c1ccc(cc1)CNC(=O)[C@H](Cc2ccc(cc2)F)C(=O)NO	6GA	(2s)-n~1~-benzyl-2-[(4-fluorophenyl)methyl]-n~3~-hydroxypropanediamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O	6GB	6-o-(6-o-phosphono-beta-d-glucopyranosyl)-beta-d-glucopyranose
+CCCCN(C)C(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F	6GC	n-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methylbenzamide
+CC(C)(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3c4cc(ccc4n[nH]3)F	6GD	6-(tert-butylsulfonyl)-n-(5-fluoro-2h-indazol-3-yl)quinolin-4-amine
+Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O	6GE	4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol
+COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4	6GF	6-(4-methoxyphenyl)-n~4~,n~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine
+c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl	6GG	4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1h-imidazol-5-yl}-1h-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid
+c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4	6GH	n~4~,n~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine
+c1ccn2cc(nc2c1)COc3ccc(cc3)C4NC(=Nc5n4c6cc7c(cc6n5)OCCCO7)N	6GI	13-[4-({imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine
+CCCC/N=C/1\N2[C@H](CS1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O	6GJ	(3e,5s,6r,7s,8s,8as)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol
+COc1ccccc1c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4	6GK	6-(2-methoxyphenyl)-n~4~,n~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine
+C(C[C@@H](C(=O)O)N)COP(=O)(O)O	6GL	5-(phosphonooxy)-l-norvaline
+c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O	6GM	4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol
+c1ccc2c(c1)c(cc[n+]2CCCNC(=O)CCC(=O)NCCOCCOCCN)Cc3[n+](c4ccccc4s3)CCCS(=O)(=O)O	6GN	1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium
+COc1c2c(nc[nH]2)nc(n1)N	6GO	6-o-methylguanine
+COC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	6GP	n-[methoxy(oxo)acetyl]-beta-d-glucopyranosylamine
+Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)c3ccccn3	6GQ	n,4-dimethyl-n-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide
+c1ccc(c(c1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O	6GR	2-(alpha-l-altropyranosyloxy)benzoic acid
+C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)F	6GS	2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate)
+C(CCC(=O)O)CC(=O)C(=O)O	6GT	2-oxoheptanedioic acid
+c1[nH]c2c(n1)c(nc(n2)N)Cl	6GU	6-chloroguanine
+CC(C)N(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F	6GV	5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methyl-n-(propan-2-yl)benzene-1-sulfonamide
+Cc1ccccc1N2C(=NNC2=O)c3cc(c(cc3O)O)C(=O)N(C)Cc4cccs4	6GW	2,4-dihydroxy-n-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-n-[(thiophen-2-yl)methyl]benzamide
+Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC)CNCCNC(=O)C	6GX	n-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide
+CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	6GY	5-chloro-n~4~-[2-(dimethylphosphoryl)phenyl]-n~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine
+Cc1c(cccc1c2ccccc2)COc3ccc(cc3Br)CN4CCCC[C@@H]4C(=O)O	6GZ	(2r)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid
+c1cc(cc(c1)OCCCCNC=O)CNC(=O)c2ccc(cc2)S(=O)(=O)N	6H0	~{n}-[[3-(4-formamidobutoxy)phenyl]methyl]-4-sulfamoyl-benzamide
+c1cc(ccc1Cc2cc3c(cc2O)OCO3)C(F)(F)F	6H1	6-{[4-(trifluoromethyl)phenyl]methyl}-2h-1,3-benzodioxol-5-ol
+c1ccn2cc(nc2c1)c3ccc(c(c3)O)O	6H2	4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)Cl	6H3	n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4ccccc4NC(=O)C=C)Cl	6H4	n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
+[H]/N=C(/NCc1c(cccc1Oc2cccc(c2)OC)N3CCCCC3)\NC(=O)c4ccc(cc4)C[C@@H](C(=O)O)N	6H5	4-[(n-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-l-phenylalanine
+c1ccc2c(c1)N(C(=O)O2)CCC(=O)O	6H6	3-(2-oxo-1,3-benzoxazol-3(2h)-yl)propanoic acid
+[H]/N=C(/N)\Nc1ccc2c(c1)[nH]c(n2)NC	6H8	n-[2-(methylamino)-1h-benzimidazol-6-yl]guanidine
+CNc1[nH]c2ccc(cc2n1)C(=O)NN	6H9	2-(methylamino)-1h-benzimidazole-5-carbohydrazide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N	6HA	1',5'-anhydro-2',3'-dideoxy-2'-(adenin-9-yl)-6'-o-phosphoryl-d-arabino-hexitol
+C=C[C@@H](CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)O	6HB	2'-deoxy-n-[(2s)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate)
+C1[C@@H](CO[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N	6HC	1',5'-anhydro-2',3'-dideoxy-2'-(cytosin-1-yl)-6'-o-phosphoryl-d-arabino-hexitol
+CNc1[nH]c2ccc(cc2n1)C(=O)N	6HD	2-(methylamino)-1h-benzimidazole-5-carboxamide
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Fe@@]3(N45)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)C	6HE	6-methy-6-depropionatehemin
+CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cc[nH]4)c(n3)Oc5ccc(cc5)NC(=O)C=C	6HF	n-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N=C(NC2=O)N	6HG	1',5'-anhydro-2',3'-dideoxy-2'-(guanin-9-yl)-6'-o-phosphoryl-d-arabino-hexitol
+c1cc(ccc1c2cc(c(nc2)N)c3ccc(cc3)Cl)C4(CCCC4)C(=O)O	6HH	1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid
+CC(C)n1c(c(nc1C(=O)NCc2ccc(cc2)F)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O	6HI	(3r,5r)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1h-imidazol-5-yl}-3,5-dihydroxyheptanoic acid
+Cn1cc(c2c1cccc2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N	6HJ	(r)-1-(3-(4-amino-3-(1-methyl-1h-indol-3-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
+Cn1cncc1c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)OC	6HK	methyl [3-(1-methyl-1h-imidazol-5-yl)-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]acetate
+C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cccc5c4cccc5)c(ncn3)N	6HL	(r)-1-(3-(4-amino-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
+c1ccc(cc1)c2ccccc2CC(C(=O)O)C(=O)O	6HM	[([1,1'-biphenyl]-2-yl)methyl]propanedioic acid
+C(CC[N+](=O)[O-])C[C@@H](C(=O)O)N	6HN	6-nitro-l-norleucine
+c1cc(cc(c1)F)C(=O)N2CC=CC2	6HO	(2,5-dihydro-1h-pyrrol-1-yl)(3-fluorophenyl)methanone
+CC(C)COC1=CC(=O)N(C(=O)N1C)C	6HP	1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1h,3h)-dione
+CC1(C(=O)NC(=O)N1C)C	6HQ	1,5,5-trimethylimidazolidine-2,4-dione
+Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO	6HR	3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CO)N)N)N)O	6HS	(1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](OC2)COP(=O)(O)O)O	6HT	1',5'-anhydro-2',3'-dideoxy-2'-(thymin-1-yl)-6'-o-phosphoryl-d-arabino-hexitol
+Cc1ccccc1c2cc(c(cc2C)OCCN)Nc3ccn(n3)C[C@@H](CO)OC	6HU	(2s)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1h-pyrazol-1-yl)-2-methoxypropan-1-ol
+Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3	6HV	(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone
+Cc1ccccc1c2cc(ccc2C)Nc3nccs3	6HW	n-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine
+Cc1ccc(cc1c2ccccc2Cl)N	6HX	2'-chloro-6-methyl[1,1'-biphenyl]-3-amine
+C1=CC(=O)NC=C1C(=O)CCC(=O)O	6HY	4-oxidanylidene-4-(6-oxidanylidene-1~{h}-pyridin-3-yl)butanoic acid
+Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3	6HZ	(2,5-dihydro-1h-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone
+Cc1ccc2c3cccc(c3[nH]c2n1)C4CC4	6I4	8-cyclopropyl-2-methyl-9h-pyrido[2,3-b]indole
+CC1(CC(CC(O1)(C)C)c2cc(n(n2)c3ccccc3OC)c4ccc(cc4)Cl)C	6I7	5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole
+CC(C)CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	6IA	n6-isopentenyl-adenosine-5'-monophosphate
+CNCCc1ccc(c(c1)Cc2cc(cc(c2OC)Cc3cc(ccc3OC)CCNC)CCNC)OC	6IB	2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{n}-methyl-ethanamine
+C#Cc1c(ccc2c1c(cc(c2)O)c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)F	6IC	4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2r,4r,7as)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol
+[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCN/C(=N\[H])/N)C(=O)N[C@H](CCCN/C(=N\[H])/N)C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c2c3cc[nH]c3ncn2	6ID	~{n}-[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-azanyl-5-[[$l^{1}-azanyl($l^{2}-azanylidene)methyl]-$l^{2}-azanyl]-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide
+C[C@@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)[C@@H]2[C@H]3[C@@H](C[C@@H](CCO3)CC(C)C)CN2)Cl	6IF	methyl 7-chloro-6,7,8-trideoxy-6-{[(4s,5as,8s,8ar)-4-(2-methylpropyl)octahydro-2h-oxepino[2,3-c]pyrrole-8-carbonyl]amino}-1-thio-l-threo-alpha-d-galacto-octopyranoside
+CCc1c(c(nc(n1)N)NCCc2ccccc2)c3ccc4c(c3)N(CCC4)CCCOC	6IG	6-ethyl-5-[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]-n~4~-(2-phenylethyl)pyrimidine-2,4-diamine
+COc1cc(c(cc1OC)[N+](=O)[O-])C[S@@+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	6IH	4,5-dimethoxy-2-nitro benzyme s-adenosyl-methionine
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@@](C3)(CNC(=O)c4ccc(cc4)CN5CC6([C@@H]5C7CC7)CCC6)O	6IK	4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3s)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCC(=O)O)CC(=O)N	6IN	4-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-butyric acid
+c1cnc(nc1NC2CCC(CC2)Nc3ccnc(n3)C(F)(F)F)C(F)(F)F	6IO	~{n}1,~{n}4-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
+c1cc(nc(c1)N)CCc2ccc3cc[nH]c3c2	6IP	6-[2-(1h-indol-6-yl)ethyl]pyridin-2-amine
+c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)NCCN	6IR	5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide
+c1cc2nnc(n2nc1NC3CCC(CC3)Nc4ccnc(n4)C(F)(F)F)Cl	6IT	~{n}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{n}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
+CC(=O)NCCNC(=O)C[N+](=O)[O-]	6IU	n-(2-acetamidoethyl)-2-nitro-ethanamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OCc2ccccc2)C(=O)NC(C)(C)C)N(C)Cc3ccc(cc3)C(C)(C)C	6IX	(2~{s})-~{n}-[(2~{s})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)OCCN	6IY	(10r,13s)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate
+c1cc(cc(c1)F)CCNCCNc2ccnc(n2)n3ccnc3	6J0	n-[2-(3-fluorophenyl)ethyl]-n'-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
+Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]	6J1	2,6-dinitro-p-cresol
+C[C@@H](C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	6J2	coenzyme f420-0
+Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O	6J3	2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
+C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	6J4	coenzyme f420-3
+c1ccc(c(c1)OCc2[nH]nnn2)Cl	6J5	5-[(2-chloranylphenoxy)methyl]-1h-1,2,3,4-tetrazole
+c1cc(c(cc1[C@H]2CC(=O)c3cc(ccc3O2)O)O)O	6J6	(2~{r})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(nc3Br)C(=O)NC(=N4)N)O)OP(=O)(O1)O	6J7	2-amino-8-bromo-9-[(2r,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6h-purin-6-one
+CN(C(=O)C[C@@H](CCCc1ccc(cc1)OC)CP(=O)(O)O)O	6J8	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methoxyphenyl)pentyl]phosphonic acid
+c1c[nH]c2c1c(ncn2)N3CCNCC3	6J9	4-(piperazin-1-yl)-7h-pyrrolo[2,3-d]pyrimidine
+CCC1(C(=O)NC(=O)NC1=O)CC[Se]C#N	6JA	2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl selenocyanate
+CN(C(=O)C[C@@H](CCCc1cccc(c1)OC)CP(=O)(O)O)O	6JB	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methoxyphenyl)pentyl]phosphonic acid
+Cc1c(c(on1)C)c2cc3cc[nH]c3nc2	6JC	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
+c1cc(ccc1O)S(=O)(=O)c2ccc(cc2)O	6JD	4-(4-hydroxyphenyl)sulfonylphenol
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)O)c5ccc(cc5)Cl)C	6JE	2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(4-hydroxyphenyl)acetamide
+Cc1c(c(on1)C)c2cc3c(c(cn3[C@@H](C)c4ccccn4)c5ccc(cc5)C(=O)O)nc2	6JF	4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s)-1-(pyridin-2-yl)ethyl]-1h-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid
+CC(=O)Nc1ccc(cc1)Oc2ccccc2c3nc4ccncc4s3	6JG	n-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide
+c1ccc(cc1)Oc2c(cccn2)c3nc4ccncc4s3	6JH	2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O	6JI	5-[(1r,2s,4r,6r,7r,10s,11s,14s,16r)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
+c1ccc(cc1)Oc2ccccc2c3nn4cnnc4s3	6JJ	6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
+c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O	6JM	2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4h-1-benzopyran-4-one
+C(C(=O)CC(=O)O)C(=O)O	6JN	3-oxopentanedioic acid
+c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O	6JO	3,6-dihydroxy-2-(3-hydroxyphenyl)-4h-1-benzopyran-4-one
+COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O	6JP	(2s)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4h-1-benzopyran-4-one
+Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)CCCN4CCCC4)NC(=O)c5ccc6c(c5)OCCO6	6JQ	n-{5-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-2-methylphenyl}-2-[3-(pyrrolidin-1-yl)propyl]quinoline-6-carboxamide
+c1ccc(cc1)c2cn3c(n2)Nc4c(ncn4[C@H]5[C@@H]([C@H]6[C@H](O5)COP(=O)(O6)O)O)C3=O	6JR	3-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9h-imidazo[1,2-a]purin-9-one
+COc1ccc(cc1Nc2c3c(n[nH]c3ncn2)c4ccco4)c5ccco5	6JS	3-(furan-2-yl)-n-[5-(furan-2-yl)-2-methoxyphenyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc2c(c1)c(co2)Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO	6JT	(3r)-3-{3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-n-hydroxybutanamide
+c1ccc(cc1)Cc2cn(c3c2cc(cc3)Br)CC(=O)NO	6JU	2-(3-benzyl-5-bromo-1h-indol-1-yl)-n-hydroxyacetamide
+CN1CCN(CC1)CCCNC(=O)c2ccc(c(c2)OC)NC(=O)c3csc4c3N=CNC4=O	6JV	n-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
+CCC1(C(=O)NC(=O)NC1=O)CCBr	6JW	5-(2-bromoethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
+CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)NC(=O)OCC=C	6JX	allyl (2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-6-yl)carbamate
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1ccccc1	6JY	n~2~-(benzenecarbonyl)-l-arginine
+CCOCCOCCOCCOCCOCC	6JZ	3,6,9,12,15-pentaoxaheptadecane
+CC(C)n1cc(c2c1ncnc2N)C(=O)c3ccnc(c3)NC(=O)Nc4ccc(cc4F)F	6K0	n-{4-[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-n'-(2,4-difluorophenyl)urea
+CC(C)n1cc(c2c1ncnc2N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)Cl	6K1	n-{5-[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide
+CC(C)n1cc(c2c1ncnc2)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)C#N	6K2	2-(4-cyanophenyl)-n-{5-[7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide
+CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)F)O)O	6K3	heptyl 4-deoxy-4-fluoro-alpha-d-mannopyranoside
+CC(C)(CO)n1cc(c2c1nc(nc2)N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cn4)Cl	6K4	n-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide
+c1c(c(cnc1N)c2nc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F	6K5	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
+c1cc(oc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	6K6	n-(furan-2-ylmethyl)adenosine 5'-(dihydrogen phosphate)
+c1c(c(cnc1N)c2cc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F	6K7	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)CNC(=O)c1ccccc1	6K8	n-(benzenecarbonyl)glycyl-l-arginine
+C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O	6K9	(1s,3s,6s,9s,12s,14r,16r,18s,20r,21r,22s,26r,29s,31r,32s,33r,35r,36s)-20-[(2s)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name)
+Cc1ccn(n1)[C@@H](C)c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4Cl)F	6KA	n-{1-[(2-chloro-6-fluorophenyl)methyl]-1h-pyrazol-3-yl}-5-[(1s)-1-(3-methyl-1h-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)OCCCC(=O)O)O)O)O)OP(=O)(O)O)N	6KB	4-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxybutanoic acid
+CN1CCN(CC1)C(=O)c2ccc(c(c2)c3ccccc3)NC(=O)c4csc5c4N=CNC5=O	6KC	n-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
+CC(C)Oc1c(cccc1NC(=O)c2csc3c2N=CNC3=O)C(=O)N4CCN(CC4)C	6KD	n-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
+C[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl	6KE	(2s)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide
+C[C@H](CO)[C@@H]([C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)c3ccccc3)NC(=O)[C@H](Cc4ccccc4)N=[N+]=[N-])O	6KF	(2s)-2-azido-n-[(2s)-3-(biphenyl-4-yl)-1-{[(2s)-1-{[(2s,3s,4r)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name)
+C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)[C@H](Cc3ccccc3)N=[N+]=[N-])O	6KG	nalpha-[(2s)-2-{[(2s)-2-azido-3-phenylpropanoyl]amino}-4-cyclohexylbutanoyl]-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-phenylalaninamide
+CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)F)O	6KH	heptyl 3-fluoro-alpha-d-mannopyranoside
+[H]/N=C(\NOC(C)(C)C)/N=C/CC[C@@H](C(=O)O)N	6KJ	(5e)-5-[(n-tert-butoxycarbamimidoyl)imino]-l-norvaline
+CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)S(=O)(=O)c6ccc(cc6)OC	6KK	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate
+CC(=O)N[C@H]1C[C@@](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)(C(=O)O)OC	6KL	methyl 4,5-bisacetamido-3,4,5-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+CCC(=O)SC[C@@H](C(=O)O)N	6KM	s-propanoyl-l-cysteine
+Cc1cnccc1c2cc(cc3c2cn[nH]3)C(F)(F)F	6KN	4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1h-indazole
+COc1ccccc1C(=O)OC[C@H]2CCCN2c3ccnc4n3ncn4	6KO	[(2r)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate
+Cc1c(cc2c(n1)[nH]cn2)n3c4ccc(cc4c5c3c[nH]n5)F	6KP	7-fluoro-4-(5-methyl-3h-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole
+COc1ccc(cc1)S(=O)(=O)N(Cc2ccccc2)C[C@H]([C@H](CC34CC5CC(C3)CC(C5)C4)NC(=O)O[C@H]6CO[C@@H]7[C@H]6CCO7)O	6KQ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate
+CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCCO5)O)S(=O)(=O)c6ccc(cc6)OC	6KR	(3r,3as,7ar)-hexahydro-4h-furo[2,3-b]pyran-3-yl {(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate
+CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F	6KS	heptyl 2-fluoro-alpha-d-mannopyranoside
+c1cc2c(cc1C(=O)N)sc(n2)N	6KT	2-amino-1,3-benzothiazole-6-carboxamide
+CCCCCCCO[C@@H]1[C@H]([C@H](C[C@H](O1)CO)O)O	6KU	heptyl 4-deoxy-4-deoxy-alpha-d-mannopyranoside
+CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N	6KV	3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
+CCCCCCCO[C@@H]1[C@H](C[C@@H]([C@H](O1)CO)O)O	6KW	heptyl 3-deoxy-alpha-d-mannopyranoside
+CC1=C(C(CCC1)(C)C)C=O	6KX	beta-cyclocitral
+CN(C)[C@@H](CC[Se]C)C(=O)O	6KY	(2s)-2-(dimethylamino)-4-(methylselanyl)butanoic acid
+CC[C@@H]([C@H](c1nc(on1)c2ccccc2)O)NC(=O)[C@H](CC(C)C)NC(=O)N3CCOCC3	6KZ	n-[(2s)-4-methyl-1-oxidanylidene-1-[[(1r,2s)-1-oxidanyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide
+C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(C/C=C/CCNC(=O)CCC(=O)N(CC1)O)O)O	6L0	(8e)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone
+C[C@@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	6L1	5'-o-[(r)-{[(3s)-3-aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine
+COc1cc(c(cc1c2ccc(s2)C#CCO)C(=O)NS(=O)(=O)[C@@H]3CCC[C@H](C3)OC)OC	6L2	5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-n-{[(1r,3r)-3-methoxycyclohexyl]sulfonyl}benzamide
+Cc1cc(c(c(c1)C)C(=O)OC)C	6L3	methyl 2,4,6-trimethylbenzoate
+Cn1cc(cn1)Nc2ncc(c(n2)Oc3ccccc3NC(=O)C=C)Cl	6L4	~{n}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCCCCC(=O)N[C@H](CC(=O)O)C(=O)N)O)O)N	6L5	(3r)-4-amino-3-{[6-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name)
+CSC(=S)/C=C(/c1cccc(c1)O)\O	6L6	methyl (2z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[NH+](CC[C@@H](C(=O)O)[NH3+])CC[NH3+])O)O)N	6L7	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azaniumylethyl)-[(3~{s})-3-azaniumyl-4-oxidanyl-4-oxidanylidene-butyl]azanium
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C[C@@H](c3cncnc3)C(=O)N	6L8	(2r)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide
+C([C@@H](C(=O)N)N)C(C(=O)O)C(=O)O	6L9	[(2s)-2,3-diamino-3-oxopropyl]propanedioic acid
+CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O	6LA	methyl 2-(acetylamino)-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranoside
+CCN1CCOCC1	6LB	4-ethylmorpholine
+[H]/N=C(/N)\NC/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6LC	9-[(5e)-7-carbamimidamido-5,6,7-trideoxy-beta-d-ribo-hept-5-enofuranosyl]-9h-purin-6-amine
+C[C@H](C[C@@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)O)C(=O)O	6LD	sacubitrilat
+c1cc(ccc1[C@@H](CN)O)Cl	6LE	(1s)-2-amino-1-(4-chlorophenyl)ethan-1-ol
+C[C@H](c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)/C=C/c4cnn(c4)CCO	6LF	2-[4-[e-2-[5-[(1r)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1h-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
+C[C@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)[N+](=O)[O-])OP(=O)(N3CC3)N4CC4	6LG	(1r)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis[(aziridin-1-yl)]phosphinate
+c1cc(ccc1CN)S(=O)(=O)N	6LH	4-(aminomethyl)benzene-1-sulfonamide
+c1cc(ccc1OCC[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)Cl	6LI	7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate)
+c1ccc(c(c1)C#N)c2cc(c3ccccc3n2)NCCCN4CCCCC4	6LJ	2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile
+Cc1c2cc(ccc2n(n1)c3cc(c(nc3)OC)Cl)C(=O)NS(=O)(=O)C	6LK	1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-n-(methylsulfonyl)-1h-indazole-5-carboxamide
+O=[Mo]12(=O)(=O)O[Mo](=O)(=O)(O1)(O2)O[Mo](=O)(=O)(=O)(=O)=O	6LL	tetrakis-(mu-oxo)-deca-oxo-trimolybdenum
+C[C@@H](CC(=O)O)/C=C/[C@@]1([C@@]2(CC(=O)C[C@]1(OC2)C)C)O	6LM	(3s,4e)-5-[(1r,5r,8s)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid
+C(CS)S	6LN	ethane-1,2-dithiol
+CC(=O)NCC1CC(C1)n2cc(c3c2ncnc3N)c4cccc(c4)OCc5ccccc5	6LO	n-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide
+c1cc(cc(c1)Cl)Nc2nccc(n2)c3ccnc(c3)NCCN	6LP	n~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cc(c(nc3)N)C(=O)Nc4cnccc4CN5CCCC5	6LQ	2-amino-5-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-n-[4-(pyrrolidin-1-ylmethyl)pyridin-3-yl]pyridine-3-carboxamide
+C1COCCN1	6LR	morpholine
+CCCCCCCO[C@@H]1C[C@H]([C@@H]([C@H](O1)CO)O)O	6LS	heptyl 2-deoxy-alpha-d-mannopyranoside
+CC(C)n1c(cc(n1)C(F)F)C(=O)Nc2ccc(c(c2)c3ccccc3)[C@H]4[C@H](CCCc5n4cnc5)O	6LT	3-(difluoromethyl)-n-{6-[(5s,6s)-6-hydroxy-6,7,8,9-tetrahydro-5h-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-yl}-1-(propan-2-yl)-1h-pyrazole-5-carboxamide
+Cc1cc(cc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N)C	6LU	4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide
+COc1cc(cc(c1)OC)Cc2nc3ccccc3c4n2nc(n4)N	6LV	5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
+C([C@H]1[C@@H]([C@H](/C(=N/O)/O1)O)O)O	6LW	(z)-l-arabinonhydroximo-1,4-lactone
+Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C	6LX	n-(3-aminopropyl)-n-[(1r)-1-(3-benzyl-7-chloro-4-oxo-4h-chromen-2-yl)-2-methylpropyl]-4-methylbenzamide
+c1cc(ccc1[C@@H](CN)O)Br	6LY	(1s)-2-amino-1-(4-bromophenyl)ethan-1-ol
+c1cc(ccc1C(=O)CN)F	6LZ	2-amino-1-(4-fluorophenyl)ethan-1-one
+O[Mo]1O[Mo](O[Mo](O1)(O)(O)(O)O[Mo]2(OO2)(O)(O)O[Mo]3(OO3)(O)(O)O)(O)(O)(O)O[Mo](O)(O)(O)O	6M0	mo(6)-o(26) cluster
+Cc1cccc(c1C(=O)O)N	6M1	2-amino-6-methylbenzoic acid
+c1ccc(c(c1)c2cc(ccc2[C@H]3[C@H](CCCc4n3cnc4)O)C#N)Cl	6M3	2'-chloro-6-[(5s,6s)-6-hydroxy-6,7,8,9-tetrahydro-5h-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile
+[B-]1(c2ccccc2CO1)(O)O	6M4	1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium
+COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(=O)[C@H]5[C@@H]4CC=CC5)C6CCCCCC6	6M5	(4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
+c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)O)N	6M6	s-[(2-phenylethyl)carbamothioyl]-l-cysteine
+CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N	6M8	7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine
+B1(c2ccccc2CO1)O	6M9	2,1-benzoxaborol-1(3h)-ol
+CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6MA	n6-methyl-deoxy-adenosine-5'-monophosphate
+Cc1c(noc1NS(=O)(=O)c2ccc(cc2)NCc3cnc4c(n3)C(=O)NC(=N4)N)C	6MB	4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-n-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide
+CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6MC	cis-n6-methyl-deoxy-adenosine-5'-monophosphate
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	6MD	n-methyladenosine
+C[C@H]1CCc2c(c(nc(n2)N)N)C1	6ME	(6s)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
+C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C	6MG	n~2~-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-[(2s)-2,3,3-trimethylbutyl]-l-leucinamide
+CC1=CC=CC(=S)N1O	6MH	1-hydroxy-6-methylpyridine-2(1h)-thione
+CC1=NC2=C(NC(=NC2=O)N)N(C1=O)[C@H]3CC(C(O3)COP(=O)(O)O)O	6MI	6-methyl-8-(2-deoxy-ribofuranosyl)isoxanthopteridine
+CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O	6MJ	methyl beta-d-xylopyranoside
+c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O	6MK	(2e)-4-[n'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid
+O1[Fe](O[Fe]2S[Fe]3[S]2[Fe]1S3)[S]	6ML	oxygen-damaged sf4
+CC1(OC[C@]2(O1)[C@H]3[C@@H]([C@H](O2)CNc4[nH]c5cc6c(cc5n4)N=C(NC6=O)N)OC(O3)(C)C)C	6MM	6-amino-2-({[(3a'r,4s,6'r,6a'r)-2,2,2',2'-tetramethyldihydro-3a'h-spiro[1,3-dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl]methyl}amino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one (non-preferred name)
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)N)O)O)OP(=O)(O)O	6MN	2-amino-2-deoxy-6-o-phosphono-alpha-d-mannopyranose
+[Mo+6]	6MO	molybdenum(vi) ion
+Cc1c2c(nc[nH]2)ncn1	6MP	6-methylpurine
+CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N)C	6MQ	methyl 5-[(6-amino-8-oxo-7,8-dihydro-3h-imidazo[4,5-g]quinazolin-2-yl)amino]-5-deoxy-2,3-o-(1-methylethylidene)-beta-d-ribofuranoside
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)NS(=O)(=O)c3ccc(cc3)c4ccc(cc4)I	6MR	n-[(4'-iodobiphenyl-4-yl)sulfonyl]-d-tryptophan
+c1nc2c(n1CCCCCCP(=O)(O)O)N=C(NC2=O)N	6MS	[6-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)hexyl]phosphonic acid
+CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6MT	trans-n6-methyl-deoxy-adenosine-5'-monophosphate
+Cc1cc(nc(n1)O)O	6MU	6-methylpyrimidine-2,4-diol
+CC(C)(c1ccc2c(c1)[nH]c3c2c(ccc3C(=O)N)c4cccc(c4F)N5C=Nc6ccccc6C5=O)O	6MV	4-[2-fluoro-3-(4-oxoquinazolin-3(4h)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9h-carbazole-1-carboxamide
+c1cnccc1[C@H]2N[C@H](CS2)C(=O)O	6MW	(2s,4s)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid
+c1cc(nc(c1C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)SC5CCCCC5)N6CC[C@@H](C6)CC(=O)O	6MX	2-[(3~{r})-1-[6-cyclohexylsulfanyl-5-[[(1~{r},3~{s})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid
+c1ccc(cc1)c2cnc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	6MY	(1s)-1,5-anhydro-1-(5-phenyl-1h-imidazol-2-yl)-d-glucitol
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	6MZ	n6-methyladenosine-5'-monophosphate
+c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F	6N0	n-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide
+c1cc2c(cc1C(=O)NN)[nH]c(n2)NCCN3CCOCC3	6N1	2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazole-6-carbohydrazide
+[H]/N=C(/N)\Nc1ccc2c(c1)nc([nH]2)NCCN3CCOCC3	6N2	n-(2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazol-5-yl)guanidine
+CC(C)CCOc1c(ccc(n1)N2C[C@@H]3[C@H](C2)C3C(=O)O)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O	6N3	(1~{r},5~{s})-3-[6-(3-methylbutoxy)-5-[[(1~{r},3~{s})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
+c1ccc2c(c1)[nH]c(n2)SCCO	6N4	2-(1h-benzimidazol-2-ylsulfanyl)ethanol
+CC1=C2C=CCC=C2C=C1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N[C@@H](Cc4ccccc4)[C@H]([C@H](C)CO)O	6N5	~{n}-[(2~{s})-1-[[(2~{s})-3-(4-methoxyphenyl)-1-[[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{h}-indene-2-carboxamide
+c1cc(sc1)c2nnc(s2)N	6N6	5-(2-thienyl)-1,3,4-thiadiazol-2-amine
+c1ccc(cc1)C(CCNC(=O)n2cccc2)c3ccccc3	6N8	n-(3,3-diphenylpropyl)pyrrolidine-1-carboxamide
+CCCS(Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OC)F)(O)O	6N9	(3-{[dihydroxy(propyl)-lambda~4~-sulfanyl]amino}-2,6-difluorophenyl)[5-(4-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]methanone
+CCCCCC(=O)O	6NA	hexanoic acid
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OCCOCCOCCOc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(=O)(=O)CCC)F)F	6NB	n,n'-{ethane-1,2-diylbis[oxyethane-2,1-diyloxy-4,1-phenylene-1h-pyrrolo[2,3-b]pyridine-5,3-diylcarbonyl(2,4-difluoro-3,1-phenylene)]}di(propane-1-sulfonamide)
+CCCS(Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)CNC(=O)COCC(=O)NCc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(CCC)(O)O)F)F)(O)O	6NC	2,2'-oxybis[n-({4-[3-(3-{[dihydroxy(propyl)-lambda~4~-sulfanyl]amino}-2,6-difluorobenzene-1-carbonyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]phenyl}methyl)acetamide]
+Cc1c(ncc(n1)C(=O)NCc2cnc(s2)C)CNS(=O)(=O)c3ccc(c(c3)F)F	6ND	5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
+c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	6NE	(1s)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]-d-glucitol
+c1cnccc1c2cc(n[nH]2)NCC3CCCCC3	6NF	n-(cyclohexylmethyl)-3-(4-pyridyl)-1h-pyrazol-5-amine
+C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C	6NG	n~2~-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-[(2r)-2,3,3-trimethylbutyl]-l-leucinamide
+[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3c(c([nH]n3)c4ccccc4)O)/N	6NH	2-(4-hydroxy-5-phenyl-1h-pyrazol-3-yl)-1h-benzoimidazole-5-carboxamidine
+c1cc2cn[nH]c2cc1[N+](=O)[O-]	6NI	6-nitroindazole
+c1ccc(cc1)CCc2c3ccccc3[nH]n2	6NJ	3-(2-phenylethyl)-1h-indazole
+c1cc2c(cc1C(=O)N)[nH]c(n2)NCCN3CCOCC3	6NK	2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazole-6-carboxamide
+C/C(=C\c1ccc(c(c1)O)OC)/C(=O)c2cc3c(c(c2)OC)OCO3	6NL	(2e)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2h-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one
+c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3	6NM	4-[5-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-yl]pyridine
+CC[C@@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	6NN	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(((r)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid
+Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)O[C@@H]2[C@H](O[C@H](C[C@H]2O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H](C[C@]5(O4)C)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)C)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@@]([C@H](O1)C)(C(=O)C)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C	6NO	avilamycin
+c1ccc(cc1)C[C@H]2C[N@@](CCN2)c3cc(c(nn3)c4ccc5ccccc5c4)c6ccncc6	6NP	6((s)-3-benzylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyrazine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)Br)N	6NQ	2'-bromo-2'-deoxyadenosine 5'-[beta,gamma-imide]triphosphoric acid
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)C#N	6NR	(2~{s})-2-azanyl-4-[[(2~{s},3~{s},4~{r},5~{r})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
+CC(C)(C)[C@@H](CC(=O)O)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)F)F	6NS	(3~{r})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid
+c1cc2c(cc1[N+](=O)[O-])[nH]nn2	6NT	6-nitrobenzotriazole
+CC1(CCC1)[C@@H](CC(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cn4)F)F	6NU	(3~{r})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid
+CC1=C2C=CCC=C2C=C1C(=O)N[C@H](C)C(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N[C@@H](Cc4ccccc4)[C@H]([C@H](C)CO)O	6NV	~{n}-[(2~{r})-1-[[(2~{s})-3-(4-methoxyphenyl)-1-[[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{h}-indene-2-carboxamide
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)S)O	6NW	2'-o-methyl-5'-o-thiophosphonoadenosine
+CNC(=O)NC1CCCCC1	6NX	1-cyclohexyl-3-methyl-urea
+C[C@@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)NO)O	6NY	3-{2-(hydroxyamino)-5-[(1s)-1-hydroxyethyl]phenoxy}-n,n-dimethylbenzamide
+CCCC1=CC(=CNC1=O)C2CCCCC2	6NZ	5-cyclohexyl-3-propyl-1h-pyridin-2-one
+CCCCN1C=CN(C1=[Au]Cl)C	6O0	(1-butyl-3-methyl-1,3-dihydro-2h-imidazol-2-ylidene)(chloro)gold
+Cc1cc(cc(c1C(=O)O[C@@H]2CO[C@]3([C@H]4[C@H]2OCO4)O[C@H]5CO[C@H]([C@@H]([C@@H]5O3)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)COC)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)OC)O[C@H]8[C@H]([C@@]9([C@@H]([C@H](O8)C)O[C@@]1(O9)C[C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)O[C@@H]1C[C@@](C(C(O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)OC)O)O	6O1	evernimicin
+C#Cc1cccc(c1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)N)O)O	6O2	[(2~{r},3~{s},4~{r},5~{r})-5-[6-[(3-ethynylphenyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate
+Cc1ccc(cc1)c2c(c3cncnc3s2)CP(=O)(O)O	6O3	{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl}phosphonic acid
+c1cc(oc1)CCC(=O)O	6O5	3-(furan-2-yl)propanoic acid
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)OC)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O)O	6O6	plicamycin, mithramycin analogue mtm sa-trp
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)N[C@@H](Cc4ccccc4)C(=O)OC)OC)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O	6O7	plicamycin, mithramycin analogue mtm sa-phe
+CCCCCC(=O)O[C@@H](COC(=O)CCCC)COP(=O)(O)OCC[N+](C)(C)C	6O8	(4r,7s)-4-hydroxy-n,n,n-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium
+CCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)C	6O9	(2s)-2-(acetyloxy)-3-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
+C(/C=C/C=C(/C(=O)O)\O)O	6OA	(2z,4e)-2,6-dihydroxyhexa-2,4-dienoic acid
+CCCCC\C=C/C[C@@H](\C=C\CC(=O)CCCCC(=O)O)O	6OB	(8e,10s,12z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid
+CCCCC\C=C/C\C=C/[C@@H](CC(=O)CCCCC(=O)O)O	6OC	(8r,9z,12z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid
+C(=C/C=O)\C=C(/C(=O)O)\N	6OD	(2e,4e)-2-amino-6-oxohexa-2,4-dienoic acid
+CCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCC	6OE	(2s)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
+COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6OG	6-o-methyl guanosine-5'-monophosphate
+C(=C/C=O)\C=C(/C(=O)O)\O	6OH	(2e,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid
+Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NCC3	6OJ	7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2h-pyrido[3,4-b]indol-1-one
+c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)CCO	6OK	6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[As](O)O	6OL	methylarsonous acid
+C/C(=C/CO)/CO	6OM	(2z)-2-methylbut-2-ene-1,4-diol
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C	6ON	2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{n}-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O	6OO	2'-o-methyl-5'-o-thiophosphonocytidine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)/C=C/P(=O)(O)O)O)OCCOC	6OP	1-[(5e)-5,6-dideoxy-2-o-(2-methoxyethyl)-6-phosphono-beta-d-ribo-hex-5-enofuranosyl]-5-methylpyrimidine-2,4(1h,3h)-dione
+B1(C=CC=CN1)CC	6OQ	2-ethyl-1,2-dihydro-1,2-azaborinine
+c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O	6OR	3,5-dichloro-4-hydroxybenzene-1-sulfonic acid
+c1nc(c2c(n1)n(cn2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N	6OS	neplanocin-a
+c1c(cc(cc1Cl)Cl)S(=O)(=O)N	6OT	3,5-dichlorobenzene-1-sulfonamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC	6OU	[(2~{r})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{z})-octadec-9-enoate
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)/N	6OV	3-cyclohexyl-d-alanyl-n-[(4-carbamimidoylphenyl)methyl]-l-prolinamide
+Cc1ccn2c(c1)nc(c2c3ccn[nH]3)C	6OW	2,7-dimethyl-3-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridine
+CC(C)(c1cn(c(n1)C(C)(C)c2c(cccc2Cl)Cl)c3ccc(cc3F)c4cc(c(c(c4)S(=O)(=O)C)CO)F)O	6OX	2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl] phenyl]imidazol-4-yl]propan-2-ol
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C)c4ccccc4	6OY	ethyl (4r)-4-[[(2s,4s)-1-[(2s)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
+Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)(C)c3ccccc3	6OZ	2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1h-pyrazol-5-yl]-1,3-thiazole
+Cc1c(cn(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC	6P0	5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'h,2h-3,4'-bipyrazole
+Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccc(cc3)OC	6P1	5-{3-[(1r)-1-(4-methoxyphenyl)ethyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
+Cc1c(sc(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC	6P2	5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
+c1ccc(cc1)c2ccc(cn2)C(=O)O	6P3	6-phenylpyridine-3-carboxylic acid
+Cc1ccc2nc(c(n2c1)c3ccn[nH]3)C	6P4	2,6-dimethyl-3-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridine
+Cc1ccc(cc1)c2nc(c(s2)c3ccn[nH]3)C	6P5	4-methyl-2-(4-methylphenyl)-5-(1h-pyrazol-5-yl)-1,3-thiazole
+CC(=O)c1ccc2c(c1)ncnc2Nc3ccccc3	6P6	1-(4-phenylazanylquinazolin-7-yl)ethanone
+CC(=O)Nc1ccc2c(c1)ncnc2Nc3ccccc3	6P8	~{n}-(4-phenylazanylquinazolin-7-yl)ethanamide
+c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6	6P9	[2-(phenylamino)-1,4-phenylene]bis({4-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}methanone)
+c1cc(cc(c1)Br)c2c3c(nc[nH]3)nc(n2)N	6PB	6-(3-bromophenyl)-7h-purin-2-amine
+c1ccnc(c1)C(=O)O	6PC	pyridine-2-carboxylic acid
+c1cc(ccc1Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6)OCN7CCCC7	6PD	[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]carbonyl-3-[[4-(pyrrolidin-1-ylmethoxy)phenyl]amino]phenyl]methanone
+CCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCC	6PE	1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine
+COc1c(cc(cn1)c2cc3cocc3c(c2)NC(=O)CN4CCOCC4)NS(=O)(=O)C	6PF	n-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide
+C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O	6PG	6-phosphogluconic acid
+CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O	6PH	(1r)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate
+CCCOCCOCCOCCCNC(=O)CCCCN\1c2ccc3c(c2C(/C1=C/C=C\C/C=C/4\C(c5c(ccc6c5cc(cc6S(=O)(=O)O)S(=O)(=O)O)N4CC)(C)C)(C)C)cc(cc3S(=O)(=O)O)S(=O)(=O)O	6PJ	cy5.5-peg2
+[H]/N=C(\c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N	6PK	o-benzyl-n-(benzylsulfonyl)-d-seryl-n-[(4-carbamimidoylphenyl)methyl]glycinamide
+CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C	6PL	(4s,7r)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide
+Cc1c(cn(n1)C)c2cc(n[nH]2)[C@@H](C)c3ccc(cc3)OC	6PM	5-[(1s)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'h,2h-3,4'-bipyrazole
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2	6PN	5-hexyl-2-phenoxyphenol
+CCCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6PO	9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-propoxy-9h-purin-2-amine
+CC/C(=C\Cc1cccc(c1O)O)/C	6PP	3-[(2z)-3-methylpent-2-en-1-yl]benzene-1,2-diol
+Cc1c(sc(n1)C)c2cc(n[nH]2)Cc3ccc(cc3)OC	6PQ	5-{3-[(4-methoxyphenyl)methyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
+C([C@@H](C(=O)N)NC(=O)CP(=O)(O)O)C(=O)O	6PR	(s)-4-amino-4-oxo-3-(2-phosphonoacetamido)butanoic acid
+Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccccc3	6PS	2,4-dimethyl-5-{3-[(1r)-1-phenylethyl]-1h-pyrazol-5-yl}-1,3-thiazole
+CCN1C(=O)C(=C(C(=N1)c2ccccc2)C(=O)C)Nc3ccc(cc3)C(=O)O	6PT	4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid
+CN(C)[C@H]1CN(C[C@@H]1c2ccc(cc2)N3CCN(CC3)S(=O)(=O)C)[C@H]4CCc5c4c(ccc5)F	6PU	(3r,4s)-1-[(1s)-7-fluoro-2,3-dihydro-1h-inden-1-yl]-n,n-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine
+COc1cccc(c1)Nc2ncc(c(n2)OCC3CCNCC3)c4ccc(cc4)C(=O)NCC(=O)Nc5ccccc5	6PV	4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-n-[2-oxo-2-(phenylamino)ethyl]benzamide
+Cc1cccc2c1nc(cc2)N3CC[C@@H](C(C3)(C)C)C(=O)N[C@H]4CCO[C@@H](C4)CO	6PW	1,5-anhydro-2,3,4-trideoxy-3-{[(4s)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-d-erythro-hexitol
+[H]/N=C(/N)\NCCC[C@@H](C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)OC)N	6PX	methyl n-[4-amino-3-(l-arginylamino)benzene-1-carbonyl]-l-tyrosinate
+[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC(=O)NCCOC)C(=O)O	6PY	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-[(2-methoxyethyl)carbamoyl]-d-glycero-d-galacto-non-2-enon  ic acid
+C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)NC(=O)C)NC(=O)C)O	6PZ	5,7-bisacetamido-3,5,7,9-tetradeoxy-l-glycero-alpha-l-manno-non-2-ulopyranosonic acid
+Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3ccccc3	6Q0	~{n}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide
+CN1CCN(CC1)Cc2ccc(cc2)c3cn4c5c3cnc(n5)NCCCCC(=O)NCCC4	6Q1	15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3h)-one
+COc1cccc(c1)Nc2cc(nc3c2C(=O)NCC3)c4ccccc4	6Q2	4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6h)-one
+Cc1cc(nc(n1)N)OCCCO	6Q3	3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropan-1-ol
+CC(C)NC(=O)[C@H]1CCC[C@H]1Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)N(C)C4CCN(CC4)C)C(F)(F)F	6Q4	n-methyl-n-(1-methylpiperidin-4-yl)-4-{[4-({(1r,2s)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	6Q5	ursolic acid 
+C[C@@H]1C[C@@H](CN(C1)C(=O)C[C@@H](c2ccc3c(c2)OCO3)c4c(cc(cc4OC)OC)O)C	6Q6	(3s)-3-(2h-1,3-benzodioxol-5-yl)-1-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
+CC(C)(C)c1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)c4ccc(cc4)C(=O)O	6Q7	4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1h-pyrazol-3-yl}benzoic acid
+Cc1c(c([nH]c1C(=O)Nc2ccc(cc2)F)C)S(=O)(=O)Nc3ccc4c[nH]nc4c3	6Q8	~{n}-(4-fluorophenyl)-4-(2~{h}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{h}-pyrrole-2-carboxamide
+Cc1c(c(n[nH]1)C)S(=O)(=O)Nc2ccc3c[nH]nc3c2	6Q9	~{n}-(2~{h}-indazol-6-yl)-3,5-dimethyl-1~{h}-pyrazole-4-sulfonamide
+C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)(O)O)O)O)O	6QA	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 5-[(2~{r},3~{r},5~{r},6~{s})-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxypentanethioate
+Cn1c(ccn1)Nc2nccc(n2)C3=CC(=O)N(C=C3)[C@H](CO)c4ccc(c(c4)F)Cl	6QB	1-[(1~{s})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
+C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C	6QC	~{n}-[(2~{s})-1-[[(2~{r})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+c1nc2c(n1CCCCCP(=O)(O)O)NC=NC2=O	6QD	5-(6-oxidanylidene-3~{h}-purin-9-yl)pentylphosphonic acid
+Cc1c(c(on1)COc2cccc(c2F)F)c3ccc(cc3)CNS(=O)(=O)C4(CC4)C	6QE	~{n}-[[4-[5-[[2,3-bis(fluoranyl)phenoxy]methyl]-3-methyl-1,2-oxazol-4-yl]phenyl]methyl]-1-methyl-cyclopropane-1-sulfonamide
+c1ccc2c(c1)nc3cccc(c3n2)O	6QF	phenazin-1-ol
+Cc1c-2c(on1)COc3cccc(c3)CCCS(=O)(=O)NCc4ccc2cc4	6QG	3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene-17,17-dione
+COc1ccc(cc1Cl)c2c(nco2)C(=O)NCCCn3cncn3	6QH	5-(3-chloranyl-4-methoxy-phenyl)-~{n}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide
+Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(c(c3)O)F	6QJ	(4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone
+COc1cc(nc(n1)Sc2cccc(c2C(=O)O)Cl)OC	6QK	2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid
+COc1cc(nc(n1)Oc2cccc(c2C(=O)O)Oc3nc(cc(n3)OC)OC)OC	6QL	2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
+CCc1cc(c(cc1O)O)c2c(snn2)c3ccc(cc3)OCC	6QM	4-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-6-ethylbenzene-1,3-diol
+CCNC(=O)C1=C(c2ccncc2NC1=O)O	6QN	~{n}-ethyl-4-oxidanyl-2-oxidanylidene-1~{h}-1,7-naphthyridine-3-carboxamide
+c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3)O)F	6QO	(4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone
+c1cc(c(c(c1)Cl)C(=O)Nc2ccc3c(c2)N(C[C@@H](O3)CO)S(=O)(=O)c4ccc(cc4)F)F	6QP	2-chloranyl-6-fluoranyl-~{n}-[(2~{r})-4-(4-fluorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide
+[B-]1(c2ccc(cc2CO1)Oc3c(cc(c(n3)OCCCC(=O)C)C#N)Cl)(O)O	6QQ	6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile
+C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@H](C)O)C(=O)O)Sc2c[nH]c3c2cccc3	6QR	(2~{s},3~{r},4~{r})-4-(1~{h}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{s},3~{s})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CCn1c2ccccc2c3c1ccc(c3)[C@@H]4C5=C(CCCC5=O)NC(=C4C(=O)OC[C@H]6CCCO6)C	6QS	[(2~{r})-oxolan-2-yl]methyl 4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{h}-quinoline-3-carboxylate
+c1cc(cc(c1)O)[C@H]2CC(=O)c3cc(ccc3O2)O	6QT	(2~{r})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one
+c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3O)O)F	6QU	[4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone
+c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)[N+](=O)[O-]	6QV	(4-nitrophenoxy)-phenyl-phosphinic acid
+Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)CN(CC(C)C)S(=O)(=O)Cc3ccccc3	6QW	~{n}-[[3-methyl-4-(4-methylsulfonylphenyl)phenyl]methyl]-~{n}-(2-methylpropyl)-1-phenyl-methanesulfonamide
+CN(C)C1CCC(CC1)Nc2c3c4c(sc3ncn2)CCC4	6QX	~{n}1-(7,8-dihydro-6~{h}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{n}4,~{n}4-dimethyl-cyclohexane-1,4-diamine
+CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4	6QY	~{n}4,~{n}4-dimethyl-~{n}1-[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
+CN1[C@H]2CCN(C[C@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6	6QZ	(3~{a}~{r},7~{a}~{s})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one
+CN1[C@@H]2CCN(C[C@@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6	6R0	(3~{a}~{s},7~{a}~{r})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one
+c1c(c2c([nH]1)ncnc2NC3CCC(CC3)N4CCOCC4)C5CCOCC5	6R1	~{n}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(=CCC/C(=C/CC/C(=C/COP(=O)(C(P(=O)(O)O)(Cl)Cl)O)/C)/C)C	6R2	[bis(chloranyl)-[oxidanyl-[(2~{e},6~{e})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid
+C=CC(=O)C(=C)N	6R3	2-azanylpenta-1,4-dien-3-one
+CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC	6R4	methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate
+Cc1c(c(cs1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C	6R5	methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate
+c1cc(c(cc1[N+](=O)[O-])C(=O)O)N	6R6	5-nitroanthranilic acid
+c1cc(c(cc1[N+](=O)[O-])C(=O)O)O	6R7	5-nitrosalicylic acid
+C1C=C(C=C([C@]1(N)O)C(=O)O)[N+](=O)[O-]	6R8	(6~{r})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid
+CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6R9	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate
+COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)NCc5ccccc5)C3	6RB	1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{n}-(phenylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide
+COCCn1cc(cn1)c2cnc(c3n2cc(n3)COc4ccc5ccccc5n4)N6CCOCC6	6RC	4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
+Cn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5c[nH]c6c5cccc6	6RD	5-(1~{h}-indol-3-ylmethyl)-1-methyl-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCNC(=[NH2+])N)O)O)N	6RE	[[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]-azanyl-methylidene]azanium
+C[C@@H](c1c(c(c2cc(ccc2n1)F)C(=O)N3CCNCC3)c4ccccc4)Nc5c(c(ncn5)N)C#N	6RF	4-azanyl-6-[[(1~{s})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
+c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccccc4)N	6RG	2-phenyl-n~4~-(2-phenylethyl)quinazoline-4,7-diamine
+c1nc2c(n1CCCCP(=O)(O)O)N=CNC2=O	6RH	4-(6-oxidanylidene-1~{h}-purin-9-yl)butylphosphonic acid
+c1cc(ccc1c2cnc(cc2CO)C(F)(F)F)C3(COC3)C(=O)Nc4ccc(cc4)F	6RI	n-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide
+c1cc(c(cc1S(=O)(=O)Nc2nccs2)C#N)Oc3ccc(cc3c4c[nH]nc4)Cl	6RJ	4-[4-chloranyl-2-(1~{h}-pyrazol-4-yl)phenoxy]-3-cyano-~{n}-(1,3-thiazol-2-yl)benzenesulfonamide
+C1CC(CCC1C(=O)O)N	6RK	4-azanylcyclohexane-1-carboxylic acid
+CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N	6RL	2-[[6-[(3~{r})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile
+CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@@H]4C[C@H]4CO	6RM	7-[(4-fluoranylphenoxy)methyl]-3-[(1~{r},2~{r})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
+COc1ccc(cc1)NCc2ccccn2	6RN	4-methoxy-n-[(pyridin-2-yl)methyl]aniline
+CS(=O)(=O)Nc1ccc(cc1)Cl	6RO	~{n}-(4-chlorophenyl)methanesulfonamide
+c1cnn(c1)C(C(=O)O)n2cccn2	6RP	bis(pyrzol-1-yl)acetate scorpionate
+Cc1cc2c(cc1C)nc([nH]2)N	6RQ	5,6-dimethyl-1~{h}-benzimidazol-2-amine
+Cc1c(cccn1)N[C@@H]2CCCS(=O)(=O)C2	6RR	~{n}-[(3~{r})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
+Cc1c(cccn1)N[C@@H](C)c2ccc3c(c2)OCCCO3	6RS	~{n}-[(1~{s})-1-(3,4-dihydro-2~{h}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine
+c1ccc(cc1)n2cccc2c3nc(nc(n3)N4CC4)N5CC5	6RT	2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine
+CN(C)c1nc(nc(n1)N(C)C)c2cccn2c3ccccc3	6RU	~{n}2,~{n}2,~{n}4,~{n}4-tetramethyl-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine-2,4-diamine
+c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)[C@@H]4C[C@H]4C#N)C(F)(F)F	6RV	(1~{r},2~{r})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile
+Cc1c(cccn1)NC2CCC[C@@H]2S(=O)(=O)C	6RW	2-methyl-~{n}-[(2~{s})-2-methylsulfonylcyclopentyl]pyridin-3-amine
+CCN1C2=C([C@@H](C3=C(N2)COC3=O)c4ccc(cc4)C)C(=O)NC1=O	6RX	(5~{s})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{h}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione
+Cc1c(cccn1)N[C@@H](C)c2ccc3c(c2)OCCO3	6RY	~{n}-[(1~{s})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine
+Cc1c(cccn1)N[C@H](C)CS(=O)(=O)C	6RZ	2-methyl-~{n}-[(2~{r})-1-methylsulfonylpropan-2-yl]pyridin-3-amine
+Cc1c(cccn1)N[C@@H](C)c2cc3c(ccs3)nc2	6S0	2-methyl-~{n}-[(1~{s})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine
+c1ccc(cc1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)C6(CCC6)N	6S1	3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COS(=O)(=O)O)O)O	6S2	methyl 2-acetamido-2-deoxy-6-o-sulfo-beta-d-glucopyranoside
+Cn1c(cc2c1nc(cc2Cl)C(=O)N)c3ccc(cc3)N4CCN(CC4)C	6S3	4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide
+CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1	6S4	(3~{s})-~{n}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
+c1ccc2c(c1)C[C@H](NC2)C(=O)N3CCC(CC3)C(=O)NCc4ccco4	6S5	(s)-n-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
+C(CCCCN=[N+]=[N-])CCCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O	6S6	(1~{s},2~{r},3~{s},4~{s},5~{s},6~{r})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid
+CN(C)CCOc1cc(cnc1)N2C[C@@H]3C[C@H](C2)CNC3	6S7	2-((5-(3,7-diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-n,n-dimethylethanamine
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O	6S8	(~{z})-~{n}-[(~{e},2~{s},3~{r})-1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide
+Cc1cc(ccn1)c2c3cnc(cc3[nH]n2)NC(=O)NCc4ccccc4	6S9	1-[3-(2-methylpyridin-4-yl)-1~{h}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO	6SA	acarbose derived hexasaccharide
+C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	6SB	taurodeoxycholate
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4ccncc4	6SC	3-bromo-5-phenyl-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+COc1ccc(cc1)c2cc([nH]n2)N	6SD	3-(4-methoxyphenyl)-1~{h}-pyrazol-5-amine
+[SeH][Se][SeH]	6SE	triselane
+c1cc(c(cc1OCCN)Cl)Cl	6SF	2-[3,4-bis(chloranyl)phenoxy]ethanamine
+C(C[C@@H](N/C(=C\SCC(=O)NCC12C3=C4[Fe]3156789(C4=C52)C1C6=C7C8=C91)/C(=O)NCC(=O)O)O)[C@@H](C(=O)O)N	6SG	s-[n-(ferrocenylmethyl)carbamoylmethyl]-glutathione
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N)N	6SH	5-azanyl-~{n}-[[4-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+c1cc(cc(c1)Cl)[C@H]2[C@H]3[C@H](CCN3CC(=O)O)N([C@]24c5ccc(cc5NC4=O)Cl)CC6CC6	6SJ	2-[(3~{s},3'~{a}~{s},6'~{s},6'~{a}~{s})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{h}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{h}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid
+CC(C)(C)CN1C[C@H]([C@@H]([C@@]12c3ccc(cc3NC2=O)Cl)c4cccc(c4)Cl)N	6SK	(3~{s},3'~{s},4'~{s})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{h}-indole-3,2'-pyrrolidine]-2-one
+c1ccc2c(c1)[nH]c(n2)c3cccnc3	6SL	2-pyridin-3-yl-1~{h}-benzimidazole
+c1c(c(ncn1)C(=O)O)Cl	6SM	5-chloranylpyrimidine-4-carboxylic acid
+c1cc(c(cc1c2cc(n[nH]2)N)Cl)Cl	6SN	5-(3,4-dichlorophenyl)-1~{h}-pyrazol-3-amine
+c1cc2c(cc1Cl)c(c[nH]2)CCN	6SO	2-(5-chloranyl-1~{h}-indol-3-yl)ethanamine
+C1CNC[C@H]1O	6SP	(3s)-pyrrolidin-3-ol
+CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(c3)Cl	6SQ	1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone
+c1cc2c(cc1C(=O)N3CCN(CC3)c4ccc5c(c4)CCC5=O)OCO2	6SR	5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one
+CCOc1cccc(c1)CN2[C@H]([C@H]([C@@H]([C@@]23c4ccc(cc4NC3=O)Cl)c5cccc(c5F)Cl)N)C	6SS	(3~{s},3'~{s},4'~{s},5'~{s})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{h}-indole-3,2'-pyrrolidine]-2-one
+c1cc(c(c(c1)Cl)F)[C@H]2[C@H]3[C@H](C[C@@H](N3)c4ccc(cc4)C(=O)O)N([C@]25c6ccc(cc6NC5=O)Cl)CC7CC7	6ST	4-[(2~{r},3~{a}~{s},5~{s},6~{s},6~{a}~{s})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{h}-indole]-2-yl]benzoic acid
+COC(=O)c1cccc(c1)NS(=O)(=O)C	6SU	methyl 3-(methylsulfonylamino)benzoate
+C1CCC(CC1)NC(=O)NC[C@H]2CCCO2	6SV	1-cyclohexyl-3-[[(2~{r})-oxolan-2-yl]methyl]urea
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N=CNC2=O	6SW	inosine-3',5'-cyclic monophosphate
+c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O	6SX	purine riboside-3',5'-cyclic monophosphate
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O1)O	6SY	uridine-3',5'-cyclic monophosphate
+c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O	6SZ	2-aminopurine riboside-3',5'-cyclic monophosphate
+CC(C)Cn1cnc2c1c3ccccc3nc2N	6T0	1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
+c1ccc(c(c1)c2cc(ccn2)C(=O)NCCCN3CCCC3)OC4CN(C4)CCc5ccc(c(c5)Cl)Cl	6T1	2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
+CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N	6T2	1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1h-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine
+c1cc2cc(c1)-c3ccnc(n3)Nc4ccc(c(c4)COC/C=C/COC2)OCCN5CCCC5	6T3	11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene
+Cc1csc(n1)NC(=O)C	6T4	~{n}-(4-methyl-1,3-thiazol-2-yl)ethanamide
+CC1=NNC(=O)N=C1Nc2ccc(cc2)C(C)C	6T5	6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{h}-1,2,4-triazin-3-one
+C[C@]1(NC(=C(N1)N)c2ccccc2)c3cccc(c3)c4cccnc4	6T6	(2r)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1h-imidazol-4-amine
+c1cc(cnc1)C2=NN(C(=O)C=C2)CCC(=O)O	6T7	3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid
+[H]/N=C(/N)\NCCC[C@@H](B1OCC(CO1)O)NC(=O)[C@H](Cc2ccc(cc2)CN)NC(=O)c3ccccc3	6T8	n-((s)-3-(4-(aminomethyl)phenyl)-1-(((r)-4-guanidino-1-(5-hydroxy-1,3,2-dioxaborinan-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide
+CCOc1ccc(nc1)C(=O)Nc2ccc(c(c2)[C@@]3(C(COC(=N3)N)(F)F)C)F	6T9	5-ethoxy-pyridine-2-carboxylic acid [3-((r)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4h-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
+CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N3Cc4ccncc4C3	6TA	~{tert}-butyl (2~{s})-2-[(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylcarbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)N(C)c4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C	6TB	4-[[(7~{r})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{h}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{n}-(1-methylpiperidin-4-yl)benzamide
+CC(C)Oc1ccc(cc1)CN(CCC(=O)N)C(=O)c2cnn(c2c3ccc4c(c3)ccs4)Cc5ccccc5	6TC	~{n}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{n}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
+COc1ccc(cc1)Cc2nnc3n2nc(s3)c4cc5ccccc5[nH]4	6TD	2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1h-indole
+CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C	6TE	~{n}-[3-[methyl(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
+C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O	6TF	n-[(4-fluorophenyl)methyl]-2-{(1r)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'h-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-n-[(2s)-1,1,1-trifluoropropan-2-yl]acetamide
+Cc1cc(cc(c1OC)C)[C@]2(N=C(C(=N2)N)C)c3cccc(c3)c4cncnc4	6TG	(2s)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2h-imidazol-4-amine
+c1cc(c(cc1Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)CO	6TH	(2~{s})-1-[(2~{r})-2-azanyl-3-cyclohexyl-propanoyl]-~{n}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
+c1ccc(cc1)N2Cc3cccc(c3C2=O)C(=O)O	6TJ	3-oxidanylidene-2-phenyl-1~{h}-isoindole-4-carboxylic acid
+c1ccc2c(c1)c(c[nH]2)CCN3CCN(CC3)c4ccccc4c5cc(cnc5)C(=O)NCCCN6CCCC6	6TL	5-[2-[4-[2-(1~{h}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
+c1ccc(c(c1)c2cc(c3c[nH]nc3n2)C(=O)NCCCN4CCCC4)N5CCN(CC5)CCc6ccc(c(c6)Cl)Cl	6TM	6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxamide
+CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C	6TN	[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{h}-pyrido[4,3-d]pyrimidin-6-yl)methanone
+c1cc(ccc1/C=C/C(=O)O[C@@H]2C=C(C[C@H]([C@@H]2O)O)C(=O)O)O	6TO	(3~{r},4~{s},5~{r})-3-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid
+CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	6TP	4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-n-methylthieno[3,2-c]pyridine-7-carboxamide
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccnc(c3)C#CCCNC(=O)O[C@@H]4CCC/C=C\CC4)Cl	6TS	[(1~{r},4~{z})-cyclooct-4-en-1-yl] ~{n}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3cc(cnc3)OC)C(F)(F)F	6TT	~{n}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide
+COc1cccc(c1)N2[C@H](c3cccc(c3C2=O)C(=O)O)CC=C	6TU	(1~{s})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{h}-isoindole-4-carboxylic acid
+CCCNCCNS(=O)(=O)c1cccc2c1ccnc2	6TV	~{n}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide
+CC(=O)Nc1cc2ccccc2cc1NC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(O)O)O)C(=O)N3	6TW	[(2~{r},3~{s},5~{r})-5-[2-[(3-acetamidonaphthalen-2-yl)amino]-6-oxidanylidene-1~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
+CCCN(CC[NH3+])S(=O)(=O)c1cccc2c1ccnc2	6TX	2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium
+C[C@@H]1CNCCN1S(=O)(=O)c2cccc3c2ccnc3	6TY	5-[(2~{r})-2-methylpiperazin-1-yl]sulfonylisoquinoline
+c1cc(cc(c1)F)c2cc[nH]n2	6TZ	3-(3-fluorophenyl)-1h-pyrazole
+c1ccc(cc1)c2[nH]c(cn2)Cn3cc(nn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	6U0	[(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[1-[(2-phenyl-1~{h}-imidazol-5-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate
+CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2nc(cs2)c3c[nH]c4c3cccn4	6U1	2-[3-(methylsulfonylamino)phenyl]-~{n}-[4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide
+CN1CCN(CC1)CCCOc2cccc(c2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5	6U2	2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{n}-[4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide
+Cc1c2c(sc1c3ncco3)N(C(=O)N(C2=O)C(C)(C)C(=O)N)C[C@@H](c4ccccc4OC)OC5CCOCC5	6U3	2-[1-[(2~{r})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide
+C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	6U4	[[(2r,3s,5r)-5-(6-azanyl-2-oxidanylidene-1h-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C	6U5	~{n}-(1-methylindazol-6-yl)butane-1-sulfonamide
+c1cc2c(cc1Cl)nc(s2)CCC(=O)O	6U6	3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid
+Cc1cc(ccc1Nc2c3cc(c(cc3ncn2)OC)OC)Oc4ccccc4	6U7	6,7-dimethoxy-~{n}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine
+CC(C)[C@@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccccc2Br	6U8	(2~{r})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile
+CC1=C([C@@H](C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC	6U9	nimodipine
+C1C(=NC(=O)NC1=O)N	6UA	6-aminopyrimidine-2,4(3h,5h)-dione
+CCOC(=O)C1=C(NC(=C([C@@H]1c2ccccc2Cl)C(=O)OC)C)COCCN	6UB	amlodipine
+CCOC(=O)C1=C(NC(=C([C@H]1c2ccccc2Br)C(=O)OC)C)COCCN(C)C	6UC	o3-ethyl o5-methyl (4r)-4-(2-bromophenyl)-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CNNN)O)O)C(=O)O)O	6UD	5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-d-glycero-d-galacto-non-2-enonic acid
+Cc1ncc(c(n1)c2ccccc2)NC(=O)NC3c4ccccc4-c5c3cccc5	6UE	1-(9~{h}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea
+c1ccc2c(c1)cc(n2CC(=O)NCc3ccccn3)c4cccs4	6UF	~{n}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide
+Cc1ccc(c(n1)c2ccc(cc2)F)NC(=O)c3ccc(cc3F)C(F)(F)F	6UG	2-fluoranyl-~{n}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide
+Cc1c(c(no1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F	6UH	1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
+COc1ccc2cc(ccc2c1)c3c([nH]cn3)c4ccncc4	6UI	4-[4-(6-methoxynaphthalen-2-yl)-1h-imidazol-5-yl]pyridine
+Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3cccc4c3cccc4	6UJ	1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea
+Cc1ncc(c(n1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F	6UK	1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
+CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC	6UL	tetracosyl palmitate
+Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3ccccn3	6UM	1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea
+C(=C/C(=O)C(=O)O)\C=C\O	6UN	(3~{e},5~{e})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid
+c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCOC(=O)c3cccnc3	6UO	2-[(2~{s})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate
+[H]/N=C(\c1ccc2cccc(c2c1)N)/N	6UP	8-aminonaphthalene-2-carboximidamide
+Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)O[C@@H]2[C@H](O[C@H](C[C@H]2O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H](C[C@]5(O4)C)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)C)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@]([C@H](O1)C)([C@H](C)O)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C	6UQ	(2r,3s,4r,6s)-4-hydroxy-6-{[(2r,3ar,4r,4'r,5's,6s,6'r,7ar)-4'-hydroxy-6-{[(2s,3r,4r,5s,6r)-3-hydroxy-2-{[(2r,3s,4s,5s,6s)-4-hydroxy-6-({(2r,3as,3a'r,6s,6'r,7r,7'r,7ar,7a'r)-7'-hydroxy-7'-[(1s)-1-hydroxyethyl]-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4h-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-5-methoxy-2-(methoxymethyl)tetrahydro-2h-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2h-pyran-4-yl]oxy}-4,6',7a-trimethyloctahydro-4h-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-2-methyltetrahydro-2h-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name)
+c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	6UR	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[2-(1~{h}-indol-3-yl)ethyl]p hosphonamidic acid
+c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	6US	[(2~{r},3~{s},4~{s},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[2-(1~{h}-indol-3-yl)ethyl]phosphonamidic acid
+CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O	6UT	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~ {s})-3-(1~{h}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid
+c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)O	6UU	[2-(1~{h}-indol-3-yl)ethylamino]phosphonic acid
+CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O	6UV	(2~{r})-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
+c1cc2c(c(c1)C(=O)O)C(=O)N(C2)Cc3c(cccc3Cl)F	6UW	2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{h}-isoindole-4-carboxylic acid
+CN(c1ccc(cc1)NC(=O)Nc2ccc(cc2)OC(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N	6UX	1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea
+c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N	6UY	[(1~{r})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate
+C=CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	6UZ	omega-undecylenyl-beta-d-maltopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(=C5)C(=O)N)O)O)O)O)N	6V0	[[(2~{r},3~{s},4~{r},5~{r})-5-(5-aminocarbonyl-2~{h}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)O)N	6V1	(2~{r})-2-azanyl-3-[(3~{r})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid
+[H]/N=C(\c1ccc(cc1)CNC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N	6V2	(2r)-2-(benzylsulfonylamino)-n-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-n-methyl-3-phenyl-propanamide
+CN1CCN(CC1)c2cccc3c2ccc(c3)NC(=O)Nc4ccc(cc4)Oc5ccnc6c5cc[nH]6	6V3	1-(4-((1h-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea
+CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)NC(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C	6V4	n-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide
+CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)C(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C	6V5	n-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCCC=CCCCCCC	6V6	[(2~{s})-3-[[(2~{r})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadec-9-enoyloxy-propyl] hexadecanoate
+B([C@H](CC(C)C)NC(=O)[C@H]([C@H](C)O)NC(=O)c1cccc(n1)c2ccccc2)(O)O	6V7	[(1~{r})-3-methyl-1-[[(2~{s},3~{s})-3-oxidanyl-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]butyl]boronic acid
+B([C@H](CC(C)C)NC(=O)CNC(=O)c1cc(ccc1Cl)Cl)(O)O	6V8	[(1~{r})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid
+Cc1ncc(s1)C(=O)O	6V9	2-methyl-1,3-thiazole-5-carboxylic acid
+CC(C)([C@@H]([C@H](Cc1ccccc1)N)O)O	6VA	(3~{r},4~{s})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)Br)S(=O)(=O)O)O)S(=O)(=O)O	6VB	bromo-trisulfonatocalix[4]arene
+CC(C)CCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)[C@H]([C@](C)(CO)O)O	6VC	~{n}-[(2~{s})-1-[[(2~{s},3~{r},4~{s})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide
+CCc1cc(c2ccccc2n1)O	6VD	2-ethyl-4(1h)-quinolinone
+c1cc(ccc1C[C@@H]([C@H](CO)O)N)O	6VF	(2~{r},3~{s})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol
+CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	6VG	~{s}-[2-[3-[[(2~{r})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate
+C[C@]12CCCC(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)[C@@H]1CC[C@@H]2[C@H](CC#CC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O	6VH	(1~{r},3~{s},5~{z})-5-[2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(6~{r})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+c1ccc(cc1)c2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O	6VJ	phenyl-trisulfonatocalix[4]arene
+C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)C4CC4)c5ccccc5	6VK	(4~{s})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
+CC[C@@]1(c2c[nH]nc2NC3=C1C(=O)CC(C3)(C)C)c4ccccc4	6VL	(4~{s})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
+C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)CC(C)(C)C)c4ccccc4	6VM	(4~{s})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
+C[C@@H]1C[C@@H](CC(C1)(C)C)n2c3ccc(cc3nc2Nc4ccc(cc4)C(C)C)C(=O)O	6VN	2-[(4-propan-2-ylphenyl)amino]-1-[(1~{s},5~{s})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid
+CC(C)C[C@@H]([C@H](C(C)(C)O)O)N	6VO	(3~{r},4~{s})-4-azanyl-2,6-dimethyl-heptane-2,3-diol
+c1cc(c(cc1[N+](=O)[O-])C#N)O	6VP	5-nitro-2-oxidanyl-benzenecarbonitrile
+C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[n+](c6c5NC(=NC6=O)N)C)O)O)S)S)O)O	6VQ	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
+CC(C)CN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C(C)(C)C	6VR	2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{n}-(2-methylpropyl)-~{n}-[(3~{s})-piperidin-3-yl]pyrimidine-5-carboxamide
+CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3cnc(nc3NCCCOC)C(C)(C)C	6VS	2-~{tert}-butyl-4-(3-methoxypropylamino)-~{n}-(2-methylpropyl)-~{n}-[(3~{s},5~{r})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide
+c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O)C4(CCC4)O	6VT	6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{h}-indole-3-carboxylic acid
+CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3nc4ccccc4n3CCCCOC	6VU	1-(4-methoxybutyl)-~{n}-(2-methylpropyl)-~{n}-[(3~{s},5~{r})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide
+C1C[C@H]([C@@H](C1)O)O	6VV	(1~{r},2~{r})-cyclopentane-1,2-diol
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34	6VW	(8~{r},9~{s},10~{r},13~{s},14~{s},17~{s})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{h}-cyclop enta[a]phenanthren-3-one
+c1ccc(cc1)[C@@H](C(=O)Nc2nc3ccccc3s2)S(=O)(=O)O	6VX	(1~{s})-2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethanesulfonic acid
+c1ccc(cc1)[C@@H](C(=O)Nc2ccccc2)S(=O)(=O)O	6VY	(1~{s})-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethanesulfonic acid
+CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccc(c(c2)OC)CN)N3CCc4c(ncnc4OCCC5CC5)C3	6VZ	(2~{s},4~{s})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidin-7-yl]-~{n}-methyl-pyrrolidine-2-carboxamide
+Cn1c2ccsc2cc1C(=O)Nc3cccc(c3)COC	6W0	~{n}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
+Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC[C@@H]5CCNC5	6W1	4-methyl-~{n}-[2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
+COc1ccc(cc1)S(=O)(=O)Nc2nccs2	6W2	4-methoxy-n-(1,3-thiazol-2-yl)benzenesulfonamide
+Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC5CCN(CC5)C	6W3	4-methyl-~{n}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
+c1ccc(cc1)C(CNC(=O)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)CN)n4cc(nn4)C5CC5)c6ccccc6	6W4	(2~{s},4~{s})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{n}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCNC(=O)C=C)O	6W5	[(3~{s})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate
+c1cc(n(c1Cl)c2ccsc2C(=O)O)Cl	6W6	3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid
+c1nc2c(n1[C@@H]3CNC[C@@H]3OCP(=O)(O)O)N=CNC2=O	6W7	[(3~{s},4~{r})-4-(6-oxidanylidene-1~{h}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid
+c1nc2c(n1[C@@H]3CNC[C@@H]3OCP(=O)(O)O)N=C(NC2=O)N	6W8	[(3~{s},4~{r})-4-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid
+c1nc2c(n1CCN(CCCCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O	6W9	2-[2-(6-oxidanylidene-1~{h}-purin-9-yl)ethyl-(4-phosphonobutyl)amino]ethylphosphonic acid
+c1c(c2c([nH]1)C(=O)NC=N2)CN(CCCP(=O)(O)O)CCCP(=O)(O)O	6WA	3-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methyl-(3-phosphonopropyl)amino]propylphosphonic acid
+c1nc2c(n1CCN(CCP(=O)(O)O)C[C@@H](CO)O)N=CNC2=O	6WB	2-[[(2~{s})-2,3-bis(oxidanyl)propyl]-[2-(6-oxidanylidene-1~{h}-purin-9-yl)ethyl]amino]ethylphosphonic acid
+c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)N=CNC2=O	6WC	[2-[(6-oxidanylidene-1~{h}-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid
+C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(cc3F)F	6WD	(4~{s},6~{s})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine
+Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3ccc(cc3F)F	6WE	(4~{s},6~{s})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
+c1ccc2c(c1)ccc3c2C=[N+]4NC(=[S-][Fe]4O3)N5CCCCC5	6WF	14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene
+c1ccc(cc1)[C@H]2CCCCN2C=O	6WG	(2~{r})-2-phenylpiperidine-1-carbaldehyde
+COc1cc(ccc1CN)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3c4ccccc4)n5cc(nn5)C6CC6	6WH	(2~{s},4~{s})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{n}-[(1~{s},2~{r})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H](C(=O)O)O)O)O)N=C(NC2=O)N	6WI	3-(guanosine-5'-diphospho)-d-glycerate
+Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)CC4CC4)S(NC5(CC5)C)(O)O	6WJ	1-(cyclopropylmethyl)-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-2,4-dione
+C([C@H]([C@@H](CSSC[C@@H](C(=O)O)N)O)O)S	6WK	(2~{r})-2-azanyl-3-[[(2~{s},3~{s})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid
+Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	6WL	4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccccc5)O	6WM	(8~{r},9~{s},13~{s},14~{s},16~{r},17~{s})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C/C(=C\c5ccccc5)/C2=O)O	6WN	(8~{r},9~{s},13~{s},14~{s},16~{e})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[ a]phenanthren-17-one
+O=[W+4]	6WO	oxo-tungsten(vi)
+c1ccc2c(c1)cccc2OS(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O	6WP	naphthalen-1-yl (1~{s},2~{r},4~{s})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1cc(ccc1C(=C2CCc3c2ccc(c3)Br)c4ccc(cc4)O)O	6WQ	4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol
+c1cc(c(cc1O)Cl)C2=CC[C@H]3[C@@H](C2)CC[C@@H]3O	6WR	(1~{s},3~{a}~{r},7~{a}~{s})-5-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,7,7~{a}-hexahydro-1~{h}-inden-1-ol
+c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)Cl)Cl	6WS	1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene
+c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl	6WT	1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene
+C[C@]12CC=C(C[C@H]1CC[C@@H]2O)c3cc(c(cc3F)O)F	6WU	(1~{s},3~{a}~{r},7~{a}~{s})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O	6WV	(8~{r},9~{s},13~{s},14~{s},17~{s})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2N(C)c5ccccc5)O	6WW	(8~{r},9~{s},13~{s},14~{s},17~{s})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
+CCCN1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	6WX	1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione
+CCN1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	6WY	1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione
+C[C@@H]1CN(CCN1CC(F)(F)F)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	6WZ	1-[[4-fluoranyl-3-[(3r)-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione
+CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OC[C@@H]5CCNC5)COC	6X0	4-ethyl-~{n}-[3-(methoxymethyl)-2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
+c1ccc(c(c1)C(=O)O)NC(=O)Nc2cc(cc(c2)Cl)Cl	6X1	2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid
+CCCN1CCN(C[C@H]1C)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	6X2	1-[[4-fluoranyl-3-[(3r)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione
+Cn1c2ccsc2cc1C(=O)Nc3ccc(cc3)COc4ccc(cc4)OC5CCN(CC5)C	6X3	4-methyl-n-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
+C[C@H](C(=O)N)NC(=O)C(CCCC[NH3+])NC(=O)CC[C@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O	6X4	[6-[[(2~{r})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{r})-5-oxidanyl-5-oxidanylidene-4-[[(2~{s})-2-[[(2~{r})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium
+CCOCc1cccc(c1COc2ccc(cc2)OC[C@@H]3CCNC3)NC(=O)c4cc5c(n4C)ccs5	6X5	~{n}-[3-(ethoxymethyl)-2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
+COc1cccc(c1OC)C(=O)O	6X6	2,3-dimethoxybenzoic acid
+Cc1cc(cc(c1C(=O)O)O)O	6X7	2,4-dihydroxy-6-methyl benzoic acid
+c1ccc(c(c1)O)I	6X8	2-iodanylphenol
+CCC1=C(Nc2c(c(nn2C1=O)C)C#N)C	6X9	6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+C(CCC(=O)NO)CCN	6XA	6-amino-n-hydroxyhexanamide
+CC(=O)N1CCc2c(c(n[nH]2)Nc3ccccc3)C1	6XB	1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
+CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3	6XC	3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
+c1cn(cn1)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3	6XD	1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea
+c1cc2cc(ccc2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)F	6XE	6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
+CC(C)N(Cc1nc(no1)c2ccc(cc2)OC)C(=O)Cc3ccc(cc3)N(=O)=O	6XF	~{n}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{n}-propan-2-yl-ethanamide
+CC(C)NC(=O)c1cccc(c1)Nc2c3c(n(n2)CC4CC4)CCN(C3)C(=O)C	6XG	3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{n}-propan-2-yl-benzamide
+CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)Nc4ccc(cc4F)c5cnn(c5)C)C1	6XH	1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{s})-oxolan-3-yl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-5-yl]ethanone
+c1ccn(c1)c2ccsc2C(=O)O	6XI	3-pyrrol-1-ylthiophene-2-carboxylic acid
+CNC(=O)C[C@@H](Cc1ccc(c(c1)Cl)Cl)NC(=O)CN2c3ccccc3CC[C@@H](C2=O)NC(=O)C[C@H](Cc4ccc(cc4)Br)N	6XJ	(3~{s})-3-azanyl-4-(4-bromophenyl)-~{n}-[(3~{s})-1-[2-[[(2~{r})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{h}-1-benzazepin-3-yl]butanamide
+CC(=O)Nc1cc(ccc1[C@H]2C[C@@H]2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5	6XK	~{n}-[2-[(1~{s},2~{s})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)Nc5ccncn5)C)CO	6XL	6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one
+c1cc2c3c(c1)N(c4cccc5c4C3c6c(cccc6O5)N2CCN7CCOCC7)CCN8CCOCC8	6XM	8,12-bis(2-morpholinoethyl)-8h-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate
+C[C@@H](c1ccc(cc1)Cl)NC(=O)CCc2nc3cccnc3n2Cc4ccc(cc4)OC(F)(F)F	6XN	~{n}-[(1~{s})-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethyloxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
+CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O	6XO	(2~{s})-3-cyclohexyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid
+Cc1ccc(c2c1NC(=O)C2NNC(=O)[C@@H](C)c3ccc(cc3)O)Cl	6XP	(2s)-n'-[(3r)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1h-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide
+Cc1cccc(n1)N(CC(C)(C)C)C(=O)c2ccc(cc2N3CCC(CC3)c4cc5ccc(cc5o4)[C@@H](CC(=O)O)C6CC6)OC	6XQ	(3~{s})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid
+c1ccc(c(c1)c2nc(cs2)C3=N[C@@H](CS3)C(=O)O)O	6XR	(4~{r})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+CN1CCN(CC1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cc(cc(c3Cl)N4CCCCC4=O)F	6XS	5-chloro-thiophene-2-carboxylic acid [(s)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide
+Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)ccn3)NC4CC4	6XT	~{n}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide
+C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F	6XU	(2s)-4,4-difluoro-1-[[(4s)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1h-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid
+c1cc(ccc1C(=O)Nc2ccc(cc2)N=C3NCCN3)N=C4NCCN4	6XV	4-((4,5-dihydro-1h-imidazol-2-yl)amino)-n-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)benzamide dihydrochloride
+CC1=Cc2c(cnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4)c5cc(cnc5)N	6XW	5-(5-aminopyridin-3-yl)-8-(((3r,4r)-3-((1,1-dioxidotetrahydro-2h-thiopyran-4-yl)methoxy)piperidin-4-yl)amino)-3-methyl-1,7-naphthyridin-2(1h)-one
+Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4[C@H](CNC[C@H]4OCC5CCC(CC5)(F)F)OC	6XX	8-(((3r,4r,5s)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1h)-one
+CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Br	6XY	bromopromazine
+COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c3ccc(c4O)O	6XZ	4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one
+CCCCC1=CC(=O)Oc2c1ccc(c2O)O	6Y0	4-butyl-7,8-bis(oxidanyl)chromen-2-one
+c1ccc(c(c1)C(=O)NC23CC4CC(C2)CC(C4)C3)[SeH]	6Y1	~{n}-(1-adamantyl)-2-selanyl-benzamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O	6Y2	~{n}-[(2~{s},3~{r},4~{r},5~{r},6~{r})-2-[(2~{r},3~{s},4~{r},5~{r},6~{s})-5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
+c1ccc(c(c1)C(=O)Nc2ccc(cc2)N)[SeH]	6Y3	~{n}-(4-aminophenyl)-2-selanyl-benzamide
+CC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4ncc(c(n4)C(F)(F)F)CO	6Y4	[2-[(6~{r})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
+C(CC(=O)C(=O)O)CF	6Y5	5-fluoranyl-2-oxidanylidene-pentanoic acid
+CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)COC	6Y6	2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1h-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-d-glycero-d-galacto  -non-2-enonic acid
+CCn1cc(cn1)n2c3c(ccc(c3F)Cl)c(c2C4CC4)Sc5cccc(c5F)C(=O)O	6Y7	3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid
+CC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4c(cnc(n4)OC)F	6Y8	(6~{r})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole
+C[C@@]1(CCCN1C)C(=O)O	6Y9	(2~{r})-1,2-dimethylpyrrolidine-2-carboxylic acid
+CS(=O)(=O)CCCn1c2ccc(cc2cc1CN3c4cnccc4N(C3=O)CC(F)(F)F)Cl	6YA	3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one
+[H]/N=C(\N)/NCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6YB	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-carbamimidamidoethyl)amino]-2-azanyl-butanoic acid
+COCCN(C[C@H]1CCCN(C1)CC#C)C(=O)c2ccc3ccccc3c2	6YC	~{n}-(2-methoxyethyl)-~{n}-[[(3~{s})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide
+Cn1cc(cn1)c2cccc(n2)C(=O)Nc3cn(nc3C(=O)N)C	6YD	~{n}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
+Cn1cc(c(n1)C(=O)N)NC(=O)c2cnn3c2nc(cc3)N4CCNCC4	6YE	~{n}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
+COc1cc(cc(c1Oc2ccc(c(c2)Cl)C#N)OC)NS(=O)(=O)C(F)(F)F	6YF	n-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide
+COc1ncc(cn1)CN2CCC[C@@H](C2)C3=NC(=O)C=C(N3)c4cccs4	6YG	2-[(3~{s})-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]-6-thiophen-2-yl-1~{h}-pyrimidin-4-one
+c1ccc2c(c1)ncn2CC(=O)c3ccc(cc3)S(=O)(=O)N	6YH	4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide
+C[C@@H](C[C@H](Cc1ccc(cc1)N)N)C(=O)O	6YJ	(2~{s},4~{r})-5-(4-aminophenyl)-4-azanyl-2-methyl-pentanoic acid
+CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)N)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@]3(CCCN3C)C	6YK	(2~{s},4~{r})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-3-[[(2~{s},3~{s})-2-[[(2~{r})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid
+Cc1c(cn(n1)C)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3C(=O)N(C)C)F	6YL	2-[(1~{r})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{n},~{n}-dimethyl-benzamide
+c1cc(c(c(c1)F)c2ccc3cnc(n3n2)Nc4cnccc4N5CCC[C@@H](C5)N)F	6YN	~{n}-[4-[(3~{s})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
+CCCCc1ccc(cc1)S(=O)(=O)N	6YP	4-butylbenzenesulfonamide
+c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)Cl)S(=O)(=O)N	6YQ	4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)OC)O)O	6YR	methyl 1-seleno-2-o-methyl-beta-l-fucopyranoside
+c1cc(c(cc1SC[C@@H]2[C@H]([C@H]3[C@@H]([C@H]3[C@@]2(C(=O)O)N)C(=O)O)O)F)F	6YS	(1~{s},2~{r},3~{s},4~{s},5~{r},6~{r})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
+c1ccnc(c1)CSC[C@@H](C(=O)O)NC(=O)c2c(cccn2)O	6YT	n-(3-hydroxypicolinoyl)-s-(pyridin-2-ylmethyl)-l-cysteine
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)/C(=C/C=NCCCCNCC=C=C)/C	6YU	fad-mdl72527 adduct
+B(c1ccccc1/C=C/C(=O)O)(O)O	6YV	(~{e})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	6YW	[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	6YX	[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	6YY	bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N	6YZ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]phosphinic acid
+[H]/N=C\1/N[C@](C(CO1)(F)F)(C)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	6Z0	n-[3-[(4r)-2-azanylidene-5,5-bis(fluoranyl)-4-methyl-1,3-oxazinan-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+Cc1cc(no1)C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O	6Z1	2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
+C[C@@H](c1ccc(cc1)F)N2c3c(cnc(n3)Nc4cccnc4)C(C2=O)(C)C	6Z2	7-[(1~{s})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C#N)O	6Z3	(2~{s},4~{r})-1-[(2~{s})-2-[(1-cyanocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1ccc(cc1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(=O)O)Cl	6Z4	(3~{s})-8-[2-azanyl-6-[(1~{r})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
+CC1(c2cnc(nc2N(C1=O)[C@H]3C=Cc4c3cccc4O)Nc5ccccc5)C	6Z5	5,5-dimethyl-7-[(1~{s})-4-oxidanyl-1~{h}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one
+COc1ccc(cc1)C2C(=C(OC3=C2C(=O)C[C@H](C3)c4cccc5c4cccc5)N)C#N	6Z6	2-amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4h-chromene-3-carbonitrile
+COc1cc(cc(c1)O)Nc2ccc(cc2)C(=O)Nc3ccc4c(c3)C[NH2+]CC4	6Z7	7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium
+CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C	6Z8	8-[(3~{r})-3-azanylpiperidin-1-yl]-7-[(2-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
+c1ccc2c(c1)CCC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	6Z9	3-[(1s)-1,2,3,4-tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=S)(O4)O)O)NC(=NC2=O)N	6ZA	2-amino-9-[(2r,4ar,6r,7r,7as)-2,7-dihydroxy-2-sulfanylidenetetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6h-purin-6-one
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NO)N	6ZB	n-hydroxy-l-tryptophanamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O	6ZC	4-nitrophenyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CS(=O)(=O)NCCNC(=O)CCl)O)O)O)NC(=NC2=O)N	6ZD	5'-o-[(r)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine
+CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C	6ZE	2,3,5-trimethyl-6-propyl-7h-furo[3,2-g][1]benzopyran-7-one
+CN(C)c1ccc(cn1)c2cc3c(c(n2)NC[C@H]4CCCNC4)nccn3	6ZF	7-[6-(dimethylamino)pyridin-3-yl]-~{n}-[[(3~{s})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
+Cc1ccc(cc1)c2cc3c(c(n2)NCCCCN)nccn3	6ZG	~{n}'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=[NH2+])N)O)O)N	6ZH	[[[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azanium
+c1cc(ccc1c2ccc(nc2)C3CC3)C4(COC4)C(=O)Nc5ccc(cc5)F	6ZI	3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-n-(4-fluorophenyl)oxetane-3-carboxamide
+C1C(=O)O[Fe]234(OC(=O)CC1(C(=O)O2)O)OC(=O)CC(CC(=O)O3)(C(=O)O4)O	6ZJ	iron(iii) dicitrate
+c1cc(cnc1)CNc2cc(nc3n2ncc3Br)c4ccc(cc4)c5ccc(cc5)C(=O)N	6ZK	4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
+CCCCCCCCC(CCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O	6ZL	2-{[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CC(=O)N1CCc2c(cnc(n2)NC3Cc4ccccc4C3)C1	6ZM	1-{2-[(2,3-dihydro-1h-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5h)-yl}ethan-1-one
+c1ccc2c(c1)CC(C2)Nc3ncc4c(n3)CCN(C4)CCC(=O)c5ccc6c(c5)OC(=O)N6	6ZN	6-(3-{2-[(2,3-dihydro-1h-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5h)-yl}propanoyl)-1,3-benzoxazol-2(3h)-one
+c1cc2c(cc1C(=O)CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)OC(=O)N2	6ZO	(3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
+c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4	6ZP	2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile
+CCN(CC)Cc1cccc(n1)CCC2=Nc3ccc(cc3C(=O)N2c4ccccc4Cl)F	6ZQ	3-(2-chlorophenyl)-2-(2-{6-[(diethylamino)methyl]pyridin-2-yl}ethyl)-6-fluoroquinazolin-4(3h)-one
+C[C@@H]1[C@@H](N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC	6ZR	(3r,4r)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
+CC[C@@](C)(C(=O)O)N	6ZS	l-isovaline
+Cc1cc(ccc1[C@H]2c3c(nn(c3C(C)C)c4ccccc4OC)C(=O)N2c5cc(ccc5OCCN(C)C)Cl)Cl	6ZT	(4~{s})-5-[5-chloranyl-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloranyl-2-methyl-phenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-c]pyrazol-6-one
+CC1=C(C(=O)Oc2c1ccc(c2)OS(=O)(=O)C)Cc3ccccc3	6ZU	3-benzyl-4-methyl-2-oxo-2h-1-benzopyran-7-yl methanesulfonate
+CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F	6ZV	n-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1h-benzimidazol-6-yl]py rimidin-2-amine
+CCN(CC)c1ccc2c(c1)OC(=O)C=C2C	6ZW	7-(diethylamino)-4-methyl-2h-1-benzopyran-2-one
+C/C(=C\C(=O)O)/c1ccc(cc1)Cl	6ZX	(e)-3-(4-chlorophenyl)but-2-enoic acid
+Cc1c(oc2c1cc3c(c2)OC(=O)C(=C3C)CCC(=O)N4CCCCC4)C	6ZY	2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7h-furo[3,2-g][1]benzopyran-7-one
+CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5	6ZZ	7-cyclopentyl-n,n-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl	700	[5-chloro-1h-indol-2-carbonyl-phenylalaninyl]-azetidine-3-carboxylic acid
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C(/C)\c3ccc(s3)Cl	701	(2r)-2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}propene-1-sulfonamide
+c1ccc(cc1)Cc2ccccc2Oc3cccc(c3)CCC[C@H](P(=O)(O)O)S(=O)(=O)O	702	(1r)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid
+c1cc(cc(c1)[N+](=O)[O-])c2cc3c(s2)cc4n3C(=S)N(C4=O)CCCN5CCOCC5	703	5-(3-morpholin-4-yl-propyl)-2-(3-nitro-phenyl)-4-thioxo-4,5-dihydro-1-thia-3b,5-diaza-cyclopenta[a]pentalen-6-one
+C[C@@H](C(=O)N(C)C)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F	704	n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-n,n-dimethyl-l-alaninamide
+CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	705	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-propylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C	706	n-(3,3-dimethyl-2,3-dihydro-1h-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide
+COc1ccc(cc1Br)C(=O)NCCC(=O)O	707	n-(3-bromo-4-methoxybenzoyl)-beta-alanine
+CC(C)c1c(c(no1)C[S@H](c2c(cccc2Cl)Cl)O)COc3ccc(c(c3)Cl)\C=C\c4cccc(c4)C(=O)O	708	3-[(e)-2-(2-chloro-4-{[3-{[(r)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
+[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)c3cccc(c3C)O)/N	709	n-(7-carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide
+Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C6(CC6)c7[nH]nnn7)C	70A	(2r,15r)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1h-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
+COc1cccc(c1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4cccc(c4)OC)O)CO)O	70B	bis-(3-deoxy-3-(3-methoxy-benzamido)-b-d-galactopyranosyl)-sulfide
+Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCCCC6)C(=O)O)C	70C	1-[(2r,15r)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid
+Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCC6)C(=O)O)C	70D	1-[(2r,15r)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid
+CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	70E	6-o-[(2r,3r)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-l-idopyranose
+Cc1cccc2c1[C@H](CCC2)CCC(=O)O	70G	3-[(1r)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid
+Cc1cccc2c1c(ccc2)/C=C/CC(=O)O	70H	(3e)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid
+CC1(CC1)NS(c2ccc3c(c2)C(=O)N(C(=O)N3Cc4ccccc4)C)(O)O	70J	3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione
+CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCCC5	70K	6-hydroxy-3-(piperidine-1-carbonyl)-1h-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide
+CCNC(=O)C1(CCC1)c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4	70L	1-[2-amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide
+c1cc(ccc1C#N)N2CCN(CC2)CCCCc3c[nH]c4c3cc(c(c4)O)C#N	70M	3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{h}-indole-5-carbonitrile
+CN1CCN(CC1)S(=O)(=O)c2cc(c(cc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5)F)F	70N	[2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
+CC(C)(C)CCc1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)C4CCN(CC4)C	70O	3-(3,3-dimethylbutyl)-~{n}-methyl-~{n}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{h}-indazole-5-carboxamide
+C[C@@H](c1ccccc1)Nc2nccc(n2)N3[C@H](COC3=O)C(C)C	70P	(4s)-3-(2-{[(1s)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one
+CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C2=NN(C(=O)c3c2cccc3)Cc4ccccc4	70Q	3-benzyl-n-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7CC(F)(F)F)C(=O)O	70R	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid
+c1cc2c(cc1N)c[nH]n2	70S	2h-indazol-5-amine
+Cc1cc2cc(ccc2[nH]1)[N+](=O)[O-]	70T	2-methyl-5-nitro-1h-indole
+COC(=O)CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	70U	5-(o-methylaceto)-2-thio-2-deoxy-uridine-5'-monophosphate
+CC1C(=O)CCCC1=O	70V	2-methylcyclohexane-1,3-dione
+CC(C)(C)OC(=O)N1CCC(CC1)N	70W	tert-butyl 4-aminopiperidine-1-carboxylate
+[H]/N=C\1/N[C@](CC(=O)N1Cc2cccc(c2)C(=O)NCc3ccccc3)(C)C(C)C	70X	n-benzyl-3-{[(2z,4s)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2h)-yl]methyl}benzamide
+[H]/N=C\1/N[C@](CC(=O)N1Cc2cccc(c2)N3C[C@H](CC3=O)c4ccccc4)(C)C(C)C	70Y	(2z,6s)-2-imino-6-methyl-3-{3-[(4r)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1h)-one
+CCCCN(C)C(=O)c1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)N4CCOCC4	70Z	~{n}3-butyl-~{n}3,~{n}5-dimethyl-~{n}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{h}-indazole-3,5-dicarboxamide
+c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c(n[nH]n6)CO	710	(5-{3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazol-6-yl}-2h-1,2,3-triazol-4-yl)methanol
+Cc1[nH]c2ccc(cc2[n+]1Cc3ccc4ccc(cc4c3)C(=N)N)OC5CCN(CC5)C(=N)C	711	7-[[6-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-2-methyl-benzimidazol-1-yl]methyl]naphthalene-2-carboximidamid
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)COC(=O)[C@@](C)(Cc3ccccc3)N	712	3-({[(1r)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(methylsulfonyl)amino]benzyl alpha-methyl-d-phenylalaninate
+Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)C	713	n-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]benzamide
+CCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	714	1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium
+c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N	715	(2r)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-1-(2,4,5-trifluorophenyl)butan-2-a mine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)[C@H](C(C)C)NC(=O)C(=O)c2cccc(c2)Cl	716	2-[2-(3-chloro-phenyl)-2-hydroxy-acetylamino]-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide
+c1csc2n1cc(n2)CO	717	imidazo[2,1-b][1,3]thiazol-6-ylmethanol
+c1cc2c(cc1O)CCCC2=O	718	6-hydroxy-3,4-dihydronaphthalen-1(2h)-one
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NC\C=C\[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5NCCO)O)O)F	719	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(2-hydroxyethylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+c1cc(cnc1)O	71A	pyridin-3-ol
+COc1ccc(cc1F)N	71B	3-fluoro-4-methoxyaniline
+c1ccc(cc1)Oc2cccc(c2)CN(C3CCCc4c3cccc4)C(=O)c5cc(c(cc5C(=O)O)C(=O)O)C(=O)O	71C	5-{[(3-phenoxyphenyl)methyl][(1s)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
+CC(C)NC(=O)[C@H](Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)C#N	71D	(2r)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)propanami de
+CC(C)[C@H](C(=O)N[C@H]1Cc2ccc3c(c2)[C@@]4(c5cc(ccc5N[C@@H]4O3)F)c6c(nc(o6)[C@@H](NC1=O)C(C)(C)C)c7nc(co7)CO)O	71E	dz 2384
+COc1ccccc1C(=O)O	71F	2-methoxybenzoic acid
+c1cc(cc(c1)N)C#N	71G	3-aminobenzonitrile
+CCN(CC)CCN(CC12CC(C1)(C2)c3ccc(cc3)C(F)(F)F)C(=O)CN4C5=C(CC=C5)C(=O)N=C4SCc6ccc(cc6)F	71H	~{n}-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5~{h}-cyclopenta[d]pyrimidin-1-yl]-~{n}-[[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]methyl]ethanamide
+CCCCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	71I	(3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d] [1,3]thiazole-6,7-diol
+C1CC(CCC1O)O	71J	trans-cyclohexane-1,4-diol
+Cc1c(cccc1N)N	71K	2-methylbenzene-1,3-diamine
+Cc1cc(nc(c1)N)C	71L	4,6-dimethylpyridin-2-amine
+Cc1cccc(n1)N	71M	6-methylpyridin-2-amine
+c1cc2c(cc1N)nc([nH]2)C(F)(F)F	71N	2-(trifluoromethyl)-1h-benzimidazol-5-amine
+c1cnc(nc1)O	71O	pyrimidin-2-ol
+CC(=O)N[C@@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	71P	~{n}-[(7~{r})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{h}-benzo[a]heptalen-7-yl]ethanamide
+c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)Nc3cc(ccc3Cl)C(F)(F)F	71Q	n-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
+[H]/N=C(\N)/N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(CO)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N\[H])/N)O	71R	dihydrostreptomycin
+Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@H](Cc3cc(cc(n3)N)C)CN	71S	6-[(2s)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine
+COc1ccc(cc1)N2CCN(CC2)C(=O)c3cc4c(s3)-c5ccccc5S(=O)(=O)C4	71T	2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4h)-dione
+c1cc(c(cc1Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)CN	71U	(2~{s})-~{n}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{r})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(nc2S)N	71V	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4	71W	(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
+CCc1c(c([nH]c1C(=O)N[C@@H]2c3cc(ccc3CC[C@H]2O)Cl)C)C(=O)C	71X	~{n}-[(1~{r},2~{r})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide
+CCc1c(c([nH]c1C(=O)N[C@H]2c3cc(ccc3CC[C@@H]2O)Cl)C)C(=O)C	71Y	~{n}-[(1~{s},2~{s})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole -2-carboxamide
+CCCn1cc(nc1)C[C@H](CCCN)C(=O)O	720	(2s)-5-amino-2-[(1-propyl-1h-imidazol-4-yl)methyl]pentanoic acid
+CCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	721	3-butoxy-1-(2,2-diphosphonoethyl)pyridinium
+CCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	722	1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium
+c1ccc(cc1)C2=C(C(=O)Nc3c2cc(cc3)Cl)CC(=O)O	723	(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid
+C[C@]1(C(=O)NC(=O)N1)CN2C(=O)c3cc(ccc3N2)OC	724	(5r)-5-[(5-methoxy-3-oxo-1,3-dihydro-2h-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
+CNc1[nH]c2c(n1)cc3c(c2CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)OC)N=C(NC3=O)N	725	6-amino-2-(methylamino)-4-(2-((2r,3r,4r,5r)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1h-imidazo[4,5-g]quinazolin-8(7h)-one
+CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OC)OC)OC)OC)N=C(NC3=O)N	726	6-azanyl-2-(methylamino)-4-[2-[(2~{r},3~{r},4~{s},5~{r},6~{s})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
+COc1ccc2c(c1)C(=O)N(N2)C[C@@]3(C(=O)NC(=O)N3)c4ccccc4	727	(5r)-5-[(5-methoxy-3-oxo-1,3-dihydro-2h-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
+c1ccc(c(c1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br	728	1-(4-aminobenzyl)-3-{2-[(2r)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea
+Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	729	n-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1h-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+CNC1C[S]2CC[S]3[Ru]24(n5c6ccc(cc6c7c5c8c(c9c7C(=O)NC9=O)C=C(C=[N]48)F)OC)([S](C1)CC3)[N]CS	72B	[(amino-kappan)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h,12h)-dionato-kappa~2~n,n')(n-methyl-1,4,7-trithiecan-9-amine-kappa~3~s~1~,s~4~,s~7~)ruthenium
+CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CCc3c4c(cc5c3N=C(NC5=O)N)[nH]c(n4)NC)C	72C	4-[2-[(3~{a}~{r},4~{r},6~{r},6~{a}~{r})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N	72D	4-(phenyl)-benzenesulfonamide
+Cc1ccccc1c2ccc(cc2)S(=O)(=O)N	72E	4-(2-methylphenyl)-benzenesulfonamide
+Cc1ccc(cc1C#Cc2c3cncnc3n(c2C[C@@H](C#N)C(=O)NC)CCOC)NC(=O)c4cccc(c4)C(F)(F)F	72F	n-[3-({6-[(2s)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
+c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)N)C=O	72G	4-(3-formylphenyl)-benzenesulfonamide
+c1ccc2c(c1)cc(cn2)c3ccc(cc3)S(=O)(=O)N	72H	4-(3-quinolinyl)-benzenesulfonamide
+I[Hg-2](I)(I)I	72I	tetraiodomercurate(2-)
+c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)/C=C/CCCNC(=O)CCCCCCCCCO	72J	7-(n-(10-hydroxydecanoyl)-aminopentenyl)-7-deaza-2'-datp
+Cc1c2c(cccc2n(n1)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)c5cc6ccccc6nc5	72K	4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide
+c1ccc(cc1)c2cccc(c2)c3c4c(nc[nH]4)nc(n3)Nc5ccc(cc5)S(=O)(=O)N	72L	4-[[6-(3-phenylphenyl)-7~{h}-purin-2-yl]amino]benzenesulfonamide
+Cc1ccc(cc1)Cc2cc(c(c(c2)O)O)C(=O)NC/C=C/[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	72M	~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamide
+Cc1nnc(n1c2ccccc2)C3CC3	72N	3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole
+Cc1c(sc(n1)COc2cccc(c2)Cl)c3ccn[nH]3	72O	2-[(3-chloranylphenoxy)methyl]-4-methyl-5-(1~{h}-pyrazol-5-yl)-1,3-thiazole
+Cc1c(c2ccc(cc2n1c3ccccc3)Cl)Sc4cccc(c4)C(=O)O	72P	3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid
+CS(=O)(=O)c1ccc(c2c1[C@@H]([C@@H]([C@@H]2F)F)O)Oc3cc(cc(c3)F)C#N	72Q	3-{[(1s,2s,3r)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1h-inden-4-yl]oxy}-5-fluorobenzonitrile
+c1cc2c(cc1F)C(=O)C(=O)N2	72R	5-fluoranyl-1~{h}-indole-2,3-dione
+Cc1cccc2c1NC(=O)C2=O	72S	7-methyl-1~{h}-indole-2,3-dione
+c1cc2c(c(c1)C(F)(F)F)NC(=O)C2=O	72T	7-(trifluoromethyl)-1~{h}-indole-2,3-dione
+COC(=O)c1cccc2c1NC(=O)C2=O	72U	methyl 2,3-bis(oxidanylidene)-1~{h}-indole-7-carboxylate
+CN1c2ccccc2C(=O)C1=O	72V	1-methylindole-2,3-dione
+CCc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	72W	~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide
+CNC[C@H](CC1CCCCC1)NC(=O)N2CCC[C@H](C2)[C@@](CCCCOC)(c3cccc(c3)Cl)O	72X	(3r)-3-[(1s)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-n-{(1s)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide
+Cc1cnc(c(c1Cl)C)Cn2ccc3c2nc(nc3Cl)N	72Y	4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN/C(=N\[H])/N)NS(=O)(=O)c3ccc4ccccc4c3)/N	730	(s)-3-(3-(4-(2-guanidinoethyl)piperidin-1-yl)-2-(naphthalene-2-sulfonamido)-3-oxopropyl)benzimidamide
+Cc1c(sc(n1)C)c2cc(n[nH]2)C(=O)N3CCN(CC3)c4ccccc4	731	[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1~{h}-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
+CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)Cl	732	5-(4-chlorophenyl)-n-[(1s)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
+Cc1cc(c2cc(cc(c2n1)C(=O)N)F)NCc3c(ccc(c3Cl)Cl)Cl	733	6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide
+c1ccnc(c1)N[C@@H](c2ccco2)c3cc(c4cccnc4c3O)Cl	734	5-chloro-7-[(r)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol
+Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NCc3ccc(cc3)OC(C)(C)C(=O)O	735	2-methyl-2-(4-{[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)amino]methyl}phenoxy)propanoic acid
+CS(=O)(=O)N1CCC(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)N5CCNCC5)Cl	736	(11s)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11h-benzo[5,6]cyclohepta[1,2-b]pyridine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)NCc3cccc4c3nccc4)c5cccc(c5)C	737	n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]-2-m-tolyl-6h-pyrimidin-1-yl}-acetamide
+c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C#N)F	738	n-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
+CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)O)NC[C@H](CS)N	739	2(s)-{2(s)-[2(r)-amino-3-mercapto]propylamino-3(s)-methyl}pentyloxy-3-phenylpropionylmethionine sulfone
+CC(C)NC(=O)/C(=C/c1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)/C#N	73A	(2e)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)prop-2-enamide
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl	73B	4-[(2s,4r)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid
+CCCCOC[C@@H](C(=O)O)N	73C	(2~{s})-2-azanyl-3-butoxy-propanoic acid
+CCN1c2ccccc2C(=O)C1=O	73D	1-ethylindole-2,3-dione
+c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	73E	(1s)-1,5-anhydro-1-(5-phenyl-4h-1,2,4-triazol-3-yl)-d-glucitol
+c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O	73F	1-(2-phenylethyl)indole-2,3-dione
+CCCCOC(=O)CN1c2ccccc2C(=O)C1=O	73G	butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate
+c1ccc(cc1)CCN2c3ccc(cc3C(=O)C2=O)F	73H	5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)O)c5ccc(cc5)O)O	73I	(1s,2r,4s,5s,6s)-n,5,6-tris(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7ccc(cc7n6)F	73J	~{n}-[(9~{r})-4-(5-fluoranyl-1~{h}-benzimidazol-2-yl)-9~{h}-fluoren-9-yl]-1~{h}-pyrrolo[2,3-b]pyridine-4-carboxamide
+CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4ccco4	73K	n-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+Cc1c(sc(n1)C)CN2c3ccc(cc3C(=O)N(C2=O)Cc4cnn(c4)C)S(NC5(CC5)C)(O)O	73L	1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione
+N[Pt](N)(O)Cl	73M	bis(azanyl)-chloranyl-oxidanyl-platinum
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)O	73N	(2~{s})-5-carbamimidamido-2-(carboxyamino)pentanoic acid
+c1cc(ccc1CC[C@@H](C(=O)O)N)O	73O	(2~{s})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid
+C(CCN)C[C@@H](C(=O)O)NC(=O)O	73P	(2~{s})-6-azanyl-2-(carboxyamino)hexanoic acid
+Cc1c2c(n(n1)C)N(c3ccc(cc3C2=O)Cl)O	73Q	6-chloro-9-hydroxy-1,3-dimethyl-1,9-dihydro-4h-pyrazolo[3,4-b]quinolin-4-one
+CCC[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)Nc3c4cc(ccc4ncn3)C(F)(F)F)N(C)C(C)C	73R	(3s)-1-{(1s,2r,4r)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4c(cnc(n4)N)Cl)c5[nH]c6ccncc6n5	73S	2-azanyl-5-chloranyl-~{n}-[(9~{r})-4-(1~{h}-imidazo[4,5-c]pyridin-2-yl)-9~{h}-fluoren-9-yl]pyrimidine-4-carboxamide
+Cc1c(cccc1N2C(=O)c3cccc(c3N(C2=O)C)F)c4c(cc(c5c4c6c([nH]5)C[C@H](CC6)C(C)(C)O)C(=O)N)F	73T	6-fluoro-5-(r)-(3-(s)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4h)-yl)-2-methylphenyl)-2-(s)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide
+Cc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccc(cc3)NC	73U	5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione
+CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OCc3ccccc3	73V	benzyl n-({(2s,3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)S)O)O	73W	5'-o-[(dithiophosphono)]cytidine
+c1cc(c(cc1N2CCN(CC2)c3cnc(nc3N)N)Cl)Cl	73X	5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine
+c1ccc2c(c1)cc(cn2)c3cccc4c3-c5ccccc5[C@H]4NC(=O)c6c(cnc7c6nc[nH]7)Br	73Y	6-bromanyl-~{n}-[(9~{r})-4-quinolin-3-yl-9~{h}-fluoren-9-yl]-3~{h}-imidazo[4,5-b]pyridine-7-carboxamide
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(=O)CC4)C(=O)N	73Z	2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide
+c1cc(ccc1CC(=O)Nc2c3cc(ccc3[nH]n2)N4CCCS4(=O)=O)N5CCCCC5	740	n-[5-(1,1-dioxidoisothiazolidin-2-yl)-1h-indazol-3-yl]-2-(4-piperidin-1-ylphenyl)acetamide
+Cn1ccnc1Sc2ccc(cc2Cl)Nc3c4cc(c(cc4ncc3C#N)OCCC[N@@](C)CCO)OC	741	4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile
+CCCCCCCCCCCC[P+](C)(C)CC(P(=O)(O)O)P(=O)(O)O	742	(2,2-diphosphonoethyl)(dodecyl)dimethylphosphonium
+CCC/C(=N/OCc1ccc(cc1)c2ccc(cc2)F)/[C@@H]3C(=O)CC([C@@H](C3=O)C#N)(C)C	743	(1r,5r)-5-{(1z)-n-[(4'-fluorobiphenyl-4-yl)methoxy]butanimidoyl}-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile
+Cc1ccc(cc1NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3)Cl	744	(3s)-n-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
+[H]/N=C(/c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4)\N	745	trans-6-(2-phenylcyclopropyl)-naphthalene-2-carboxamidine
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=N3)Nc4ccc(cc4)C(=O)N5CCOCC5)C	746	4-tert-butyl-n-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide
+CN1C(=N/C(=C\c2cc(c(c(c2)F)O)F)/C1=O)/C=N/O	747	(5z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(e)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4h-imidazol-4-one
+Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN(CCN(C)C)C(=O)c5cccnc5	748	n-[2-(dimethylamino)ethyl]-n-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]pyridine-3-carboxamide
+CC(=CCC/C(=C/CC(P(=O)(O)O)(P(=O)(O)O)C/C=C(/CCC=C(C)C)\C)/C)C	749	[(6e,11e)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid)
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3CN(CCN3)C(=O)c4ccccc4)O)C	74A	n'-{(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+c1c(c(cc(c1[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF)F)F)CNCC(F)(F)F	74B	(4ar,6r,8as)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+[CH3]	74C	methyl radical
+Cc1c(c2ccccc2n1[C@H](C)C3CCN(CC3)CC(C)(F)F)C(=O)NCC4C(=CC(=NC4=O)C)OC	74D	1-[(1~{r})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{n}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{h}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N	74E	2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide
+C[C@@H](c1nc(nn1C)c2cnc(c(n2)n3c4ccccc4nn3)N)N5CCOCC5	74F	3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{s})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine
+C[n+]1ccc(c2c1cccc2)C[C@H]3N(c4ccccc4S3)CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	74G	4-{[(2s)-3-{2,16-dioxo-20-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2,3-dihydro-1,3-benzothiazol-2-yl]methyl}-1-methylquinolin-1-ium
+Cn1c(nc(n1)c2cnc(c(n2)n3ccc(n3)C(=O)N)N)C4(CC4)c5ccccc5	74H	1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide
+Cn1c(nc(n1)c2cnc(c(n2)n3cc(cn3)C(=O)N)N)C4(CC4)c5ccccc5	74J	1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide
+Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)C(=O)N)N)C4(CC4)c5ccccc5	74K	4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide
+Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)S(=O)(=O)N(C)C)N)C4(CC4)c5ccccc5	74L	4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-~{n},~{n}-dimethyl-pyrazole-1-sulfonamide
+CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OC	74M	methyl n-({(2s,3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate
+Cn1c(nc(n1)c2cnc(c(n2)c3ccc(cc3)C(=O)N)N)C4(CC4)c5ccccc5	74N	4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide
+Cn1c(nc(n1)c2cnc(c(n2)c3c[nH]nc3)N)C4(CC4)c5ccccc5	74O	5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{h}-pyrazol-4-yl)pyrazin-2-amine
+CC(=O)C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	74P	(e)-n~6~-(1-carboxy-3-oxobutylidene)-l-lysine
+Cn1c(nc(n1)c2cnc(c(n2)n3c4ccccc4nn3)N)C5(CC5)c6ccccc6	74Q	3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine
+C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)Cn4c5ccccc5c6c4cccc6)CCc7ccccc7	74S	9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole 
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC6CCN(CC6)C7CCCC7	74T	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate
+c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4	74U	n-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine
+CCN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C	74V	n-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-n-[(3s)-piperidin-3-yl]pyrimidine-5-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O	74W	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2r,3s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O	74X	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2r,3s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea
+Cc1ccc(c(n1)NCc2ccco2)C(=O)N3CCCCCC3	74Y	(azepan-1-yl)(2-{[(furan-2-yl)methyl]amino}-6-methylpyridin-3-yl)methanone
+c1cc(oc1)CNc2c3c4c(sc3ncn2)CCCC4	74Z	n-[(furan-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+CC(C)C[C@@H](C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc2cccc(c2)c3ccccn3)NC(=O)c4cc5cc(ccc5o4)OCCN6CCOCC6	750	5-(2-morpholin-4-ylethoxy)benzofuran-2-carboxylic acid ((s)-3-methyl-1-{(s)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-ylcarbamoyl}butyl)amide
+COc1ccc(cc1)c2cccc(c2)S(=O)(=O)N3CCN(CC3)c4c(nccn4)c5ccc(cc5)OC	751	2-{4-[(4'-methoxybiphenyl-3-yl)sulfonyl]piperazin-1-yl}-3-(4-methoxyphenyl)pyrazine
+c1ccc(c(c1)c2[nH]c(nn2)SCC(=O)Nc3nc4ccccc4s3)C(=O)O	752	2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4~{h}-1,2,4-triazol-3-yl]benzoic acid
+Cc1c2c(nc(nc2sc1C(=O)O)CCc3ccccc3)NC	753	5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid
+CCCOc1cc2c(cc1/C(=C\C=C\C(=C\C(=O)O)\C)/C)C(CCC2(C)C)(C)C	754	(2e,4e,6z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid
+CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc2cc(ccc2C(=O)O)Cl	755	4-chloro-2-[({(1s,2s)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid
+Cc1cc2cc(ccc2o1)C(=O)N3CCC[C@@H](C3)c4[nH]c5ccccc5n4	756	[(3s)-3-(1h-benzimidazol-2-yl)piperidin-1-yl](2-methyl-1-benzofuran-5-yl)methanone
+CC(C)[C@@H](C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)NC(=O)C[C@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O	757	5-[[(2s)-2-[[(3r,4s)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1r)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid
+CC(C)(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]ccn2)Cl	758	2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-n-(1h-imidazol-2-yl)benzamide
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)NCc5ccc(cc5)C6=C(NCS6)C)O)C(C)(C)C)c7ccc(cc7)Cl)C	759	(2~{s},4~{r})-1-[(2~{s})-2-[2-[2-[2-[2-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c2cccc(c2)I)C(=O)N	75A	n-acetyl-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithinamide
+c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	75B	5-selenophen-2-yluridine 5'-(dihydrogen phosphate)
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](CO)N)O	75C	5'-({[(2r,3s)-3-amino-4-hydroxy-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine
+CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)O)C(C)C	75D	2,4,6-tri(propan-2-yl)benzenesulfonic acid
+c1csc(c1C2=CNC(=O)C=C2)c3cc(n4c(n3)c(cn4)C#N)NC5CC5	75E	7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CC[C@@]1(c2cn[nH]c2N=C3[C@H]1C(=O)CC(C3)(C)C)c4ccccc4	75F	(4s,4as)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5h-pyrazolo[3,4-b]quinolin-5-one
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)S)O)Cl)N	75G	(2s,4ar,6r,7r,7as)-6-(6-amino-2-chloro-9h-purin-9-yl)-7-hydroxy-2-sulfanyltetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
+CC1=C(C(=O)N(N1CC(C)(C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC	75H	n-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5ccccc5C#N	75J	2-({2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5h-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile
+Cc1nc2c(o1)C=C(OC2=O)C	75K	2,6-dimethyl-4h-pyrano[3,4-d][1,3]oxazol-4-one
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N4CCCN(C4=NC2=O)Cc5nc(c6ccccc6n5)C	75L	2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3h)-one
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5ccc(cc5)C#N	75M	4-({2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5h-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5nc(c6ccccc6n5)C	75N	2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]-3h-imidazo[2,1-b]purin-4(5h)-one
+CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)O	75O	6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1h-indole-3-carboxylic acid
+COc1cc2c(cc1OCCN)nc(nc2NCCCCCN3CCCC3)N4CCCC4	75P	7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-n-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine
+Cc1ccc(c(n1)C)COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl	75Q	1-(4-{3,5-dichloro-4-[(2,6-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine
+Cc1ccnc(c1COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl)C	75R	1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine
+Cc1c(cccn1)COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl	75S	1-(4-{3,5-dichloro-4-[(2-methylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine
+Cc1c(cccn1)COc2ccc(cc2)c3cccc(c3)C4CCNCC4	75T	2-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine
+CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3	75U	ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1h-indole-3-carboxylate
+CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC	75V	n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-alanine
+[H]/N=N/c1ccc(cc1)S(=O)(=O)N	75W	4-[(e)-diazenyl]benzene-1-sulfonamide
+Cc1c(cccc1O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N	75X	3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methylphenol
+c1cc(ccc1NC(=O)CN2C(=O)C=CC2=O)S(=O)(=O)N	75Y	2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{n}-(4-sulfamoylphenyl)ethanamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccc5c(c4)nc[nH]5)F	75Z	n-[2-[5-(1h-benzimidazol-5-yl)-4h-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1ccc(cc1)CNc2c3ccccc3nc4c2CCCC4	760	9-(3-phenylmethylamino)-1,2,3,4-tetrahydroacridine
+c1ccc2cc(c(cc2c1)C(=O)O)NC(=O)C(=O)O	761	3-(oxalyl-amino)-naphthalene-2-carboxylic acid
+c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)Cl	762	3-{5-[amino(iminio)methyl]-6-chloro-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCOCn3ccc4c3ccnc4)F	763	5-(4-fluorophenyl)-2,3-dihydroxy-n-[3-(pyrrolo[3,2-c]pyridin-1-ylmethoxy)propyl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[N+]4(CC4)CC[C@@H](C(=O)O)N)O)O)N	765	5'-{1-[(3s)-3-amino-3-carboxypropyl]aziridin-1-ium-1-yl}-5'-deoxyadenosine
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCc3cc4cnccc4s3)F	766	5-(4-fluorophenyl)-2,3-dihydroxy-n-(4-thieno[3,2-c]pyridin-2-ylbutyl)benzamide
+CN(C)CCCNc1nc2cc(c(cc2c(n1)N(C)C)OC)OC	767	n2-(3-(dimethylamino)propyl)-6,7-dimethoxy-n4,n4-dimethylquinazoline-2,4-diamine
+[H]/N=C/1\N(c2ccccc2N1C[C@H](COc3ccc(cc3Cl)Cl)O)CCN4CCCCC4	768	(2r)-1-(2,4-dichlorophenoxy)-3-[(2e)-2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1h-benzimidazol-1-yl]propan-2-ol
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCC/C=C/Cn3ccc4c3ccnc4)F	769	5-(4-fluorophenyl)-2,3-dihydroxy-n-[(e)-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide
+c1cc(ccc1c2ccc(cc2)O)c3c4c([nH]n3)-c5ccc(cc5C4)C(=O)NC6CCC(CC6)O	76A	3-(4'-hydroxybiphenyl-4-yl)-n-(4-hydroxycyclohexyl)-1,4-dihydroindeno[1,2-c]pyrazole-6-carboxamide
+Cc1cc(ccn1)c2nc([nH]n2)CCNC(=O)c3cc(cc(c3O)O)c4ccc(cc4)F	76B	5-(4-fluorophenyl)-2,3-dihydroxy-n-[2-[5-(2-methylpyridin-4-yl)-4h-1,2,4-triazol-3-yl]ethyl]benzamide
+Cc1c(cncc1F)N2C(=O)c3c(cccc3Cl)N=C2[C@H](C)Nc4c(c(nc(n4)N)N)C#N	76C	2,4-bis(azanyl)-6-[[(1~{s})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
+CC(C)c1cc(c(c(c1)C(C)C)C(=O)O)C(C)C	76D	2,4,6-tri(propan-2-yl)benzoic acid
+c1cc(cc(c1)S(=O)(=O)N2CCOc3ccc(cc3C2)NC(=O)c4c(cccc4Cl)F)C(F)(F)F	76E	2-chloro-6-fluoro-n-[4-[3-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2h-1,4-benzoxazepin-7-yl]benzamide
+CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC	76F	(7e,21r,24s)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9z,12e)-octadeca-9,12-dienoate
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCc3cc4ccncc4s3)F	76G	5-(4-fluorophenyl)-2,3-dihydroxy-n-(4-thieno[2,3-c]pyridin-2-ylbutyl)benzamide
+CCC[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	76H	[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-propyl-azanium
+CCCCC[NH2+][C@@H](CC[C@@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	76J	[(2~{s},5~{s})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-pentyl-azanium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@H](C(=O)O)[NH3+])[NH2+]CCCO)O)O)N	76K	[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(3-oxidanylpropyl)azanium
+C[C@H](C[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	76L	[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-[(2~{r})-2-oxidanylpropyl]azanium
+CC(C)C[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	76M	[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(2-methylpropyl)azanium
+c1ccc(cc1)C[NH2+][C@H](CC[C@@H](C(=O)O)[NH3+])C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	76O	[(2~{r},5~{s})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium
+CN(C)C1CCC(CC1)Oc2c3cc(ccc3ncn2)[N+](=O)[O-]	76P	~{n},~{n}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine
+Cc1cc(cc(c1)c2cnc3ccc(cc3c2CCCCNC)c4cc(cnc4)O)C	76Q	5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CCC(=O)O)C)CCC(=O)O)C	76R	[3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~n~21~,n~22~,n~23~,n~24~)tetra(propanoato)(2-)]manganese
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccncc4)F	76S	5-(4-fluorophenyl)-2,3-dihydroxy-n-[2-(3-pyridin-4-yl-1h-1,2,4-triazol-5-yl)ethyl]benzamide
+c1cc(cc(c1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F)CNc4ccc5c(c4)cn[nH]5	76T	5-(4-fluorophenyl)-2,3-dihydroxy-n-[[3-[(1h-indazol-5-ylamino)methyl]phenyl]methyl]benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)CF)O	76U	(4s)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
+CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC	76V	n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-isoleucine
+c1cc(c(nc1)N)N	76X	pyridine-2,3-diamine
+c1ccc(c(c1)Cn2cccc2C(=O)N)Cl	76Y	1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide
+CC(C)(C#Cc1ccc2c(c1)-c3nc(cn3CCO2)C(=O)N)O	76Z	10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
+c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)NC=O)c5c2C(=O)NC5=O)Cl	770	n-[4-(2-chlorophenyl)-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazol-9-yl]formamide
+COc1cc(c(cc1OCc2ccccc2)NS(=O)(=O)C)CNc3ccc(cc3)C(=N)N	771	4-(4-benzyloxy-2-methanesulfonylamino-5-methoxy-benzylamino)-benzamidine
+c1cc2ccc(nc2c(c1)OP(=O)(O)O)C#N	772	2-cyanoquinolin-8-yl dihydrogen phosphate
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC\C=C\c4cc5ccccc5nc4)C)C)NC(=O)O2)C	773	cethromycin
+c1cc(nc-2c1OCCc3c2scc3)C(=O)N	774	6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide
+CCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3)Cl)C#N)N1	775	2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CCNP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O	777	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-ethyl-phosphonamidic acid
+c1cc(cc(c1)Cl)N2CC[N@@](CC2=O)Cc3cncn3Cc4ccc(cc4)C#N	778	4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1h-imidazol-1-yl)methyl]benzonitrile
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)Nc4ccccc4	779	1-[(1r,3s)-3-{[(2e,4r)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea
+C[C@@H](CN(C)C)Oc1cncc(n1)NC(=O)Nc2cc(ccc2OC)Cl	77A	1-(5-chloro-2-methoxyphenyl)-3-{6-[2-(dimethylamino)-1-methylethoxy]pyrazin-2-yl}urea
+CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OCc2ccccc2)NC(=O)[C@@H]3[C@H](O3)C(=O)NCc4ccccc4	77B	benzyl n-({(2s,3s)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate
+c1cc(cnc1)N2C(=O)c3c(ccc(c3N=C2[C@H](C4CC4)Nc5c(c(nc(n5)N)N)C#N)F)Cl	77C	2,4-diamino-6-{[(s)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile
+CC1(Cc2c(c(sc2C(=O)NC1)Nc3ccc(cc3F)I)C(=O)N[C@@H]4CCCNC4)C	77D	2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-n-[(3r)-piperidin-3-yl]-5,6,7,8-tetrahydro-4h-thieno[2,3-c]azepine-3-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CC[C@H](CCC(=O)O)N)O	77E	(4r)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid
+COc1ccc(cc1)S(=O)(=O)[N@@](CC2CCCCC2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O)O	77F	n-[(2s,3r)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3cnc4c3ncnc4N)F	77G	n-[5-(6-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3cnc4c3nc(nc4)N)F	77H	n-[5-(2-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O	77I	(1s,2r,4s,5r,6s)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
+c1ccc(cc1)C2=CC(=O)NC(=N2)SCCC(=O)NO	77J	n-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide
+Cn1cc(nc1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F	77K	5-(4-fluorophenyl)-2,3-dihydroxy-n-[(1-methylimidazol-4-yl)methyl]benzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCO)F	77L	5-(4-fluorophenyl)-2,3-dihydroxy-n-(2-hydroxyethyl)benzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCSCC(=O)c3ccc(c(c3)O)O)F	77M	n-[2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCOCCn3cnc4c3ncnc4N)F	77N	n-[2-[2-(6-aminopurin-9-yl)ethoxy]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1cc(oc1)CNc2cncc(n2)Cl	77O	6-chloro-n-[(furan-2-yl)methyl]pyrazin-2-amine
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCNC(=O)c3cc(ncn3)O)F	77P	n-[2-[[5-(4-fluorophenyl)-2,3-dihydroxybenzoyl]amino]ethyl]-6-hydroxypyrimidine-4-carboxamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccc4c3ccnc4)F	77Q	5-(4-fluorophenyl)-2,3-dihydroxy-n-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)benzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccnc3)F	77R	5-(4-fluorophenyl)-2,3-dihydroxy-n-(5-imidazol-1-ylpentyl)benzamide
+c1ccc(cc1)Cc2nc([nH]n2)CCNC(=O)c3cc(cc(c3O)O)c4ccc(cc4)F	77S	n-[2-(5-benzyl-1h-1,2,4-triazol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+Cc1c(ccc(c1F)C#N)N2CC[C@]([C@@H]2C)(C)O	77T	2-fluoro-4-[(2s,3s)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile
+Cc1c(ccc(c1Cl)C#N)N2CC[C@@H]([C@@H]2C)O	77U	2-chloro-4-[(2s,3s)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile
+Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5	77V	n~4~-cyclopropyl-n~2~-(3-methyl-1h-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
+C[C@]1(c2ccc(cc2CCN1c3ccc(cc3)F)O)c4ccc(cc4)/C=C/C(=O)O	77W	(2e)-3-{4-[(1r)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid
+CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1	77X	1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
+c1ccc2c(c1)c(c[nH]2)CC(=O)NC/C=C/C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	77Y	 5-(3-(2-(1h-indol-3-yl)acetamide-n-yl)-1-propen-1-yl)-2'-deoxyuridine
+CC(C)CCN1c2ccccc2C(=O)C(C1=O)[C@@H]3Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N	77Z	2-({(3r)-3-[(3s)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2h-1,2,4-benzothiadiazin-7-yl}oxy)acetamide
+c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N	780	3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate
+CCC(=O)Nc1ccc2c(c1)cccc2O	781	n-(5-hydroxynaphthalen-2-yl)propanamide
+CC(C)c1ccc(cc1)N2CCc3cc(ccc3[C@@]2(C)c4ccc(cc4)/C=C/C(=O)O)O	782	(2e)-3-(4-{(1r)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid
+COc1cc(c(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)[O-])c4ccccc4	783	3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-5-methoxy-1,1'-biphenyl-2-olate
+C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ccc(cc4)C(=N)N	784	[amino (4-{(3as,4r,8as,8br)-1,3-dioxo-2- [3-(trimethylammonio) propyl]decahydropyrrolo[3,4-a] pyrrolizin-4-yl}phenyl) methylene]ammonium
+c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])OC(F)(F)F	785	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-4-(trifluoromethoxy)benzenolate
+C[C@H](c1ccc(cc1)n2cccn2)NC(=O)[C@@H]([C@H](C(=O)N3CCC[C@@H]3c4c(sc(n4)NC)S(=O)(=O)C)O)O	786	(2r,3r)-2,3-dihydroxy-4-{(2r)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-n-{(1r)-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}butanamide
+c1ccc(cc1)C(P(=O)(O)O)P(=O)(O)O	787	(phenyl-phosphono-methyl)-phosphonic acid
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCc4ccccc4)c5ccccc5	788	n-benzyl-4-methyl-1-phenyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+c1cc(ccc1C2=C(c3ccc(cc3C2=O)O)Br)O	789	3-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1h-inden-1-one
+CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]2[C@H](O2)C(=O)NCc3ccccc3	78A	n-({(2s,3s)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-proline
+CCOC(=O)c1ccc(cc1)CN	78B	ethyl 4-(aminomethyl)benzoate
+c1ccc(cc1)[C@@H]2CC(=O)N2C(=O)OC3CCCC3	78C	cyclopentyl 2-oxo-4-phenylazetidine-1-carboxylate
+C1C[C@H](NNC1)C(=O)OCC/C=C/C=C/CCCCC(=O)O	78D	(6e,8e)-11-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}undeca-6,8-dienoic acid
+CC(C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H](N2)C(=O)OCC/C=C/C=C/CCCCC(=O)N1)Cc3cccc(c3)O	78E	3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
+C[C@@H]([C@H](/C=C/C=C/CCOC(=O)[C@@H]1CCCNN1)OC)[C@H]([C@@H](C)C(=O)O)OC	78F	(2r,3r,4s,5s,6e,8e)-11-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}-3,5-dimethoxy-2,4-dimethylundeca-6,8-dienoic acid
+COCN1C=C(C(=NC1=O)N)C[NH+](CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)CC[C@@H](C(=O)O)N	78G	2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{s})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium
+c1cc(ccc1C(=O)O)NCC2=NC3=C(NC2)N=C(NC3=O)N	78H	7,8-dihydropteroate
+CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCCCC4	78J	(3r,4r)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one
+COCN1C=C(C(=NC1=O)N)CN(CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	78K	(2~{r})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid
+c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6	78L	~{n}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide
+CCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O	78M	(2s)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate
+CCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O	78N	(2r)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate
+C[C@H](c1cccc(c1)/C=C/CC[C@H]([C@@H](C)C(=O)O)OC)OC(=O)[C@@H]2CCCNN2	78O	(2r,3r,6e)-7-{3-[(1r)-1-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}ethyl]phenyl}-3-methoxy-2-methylhept-6-enoic acid
+C[C@@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N	78P	(2r)-2-(7-carbamoyl-1h-benzimidazol-2-yl)-2-methylpyrrolidinium
+C[C@H]([C@@H](CC/C=C/c1cccc(c1)COC(=O)[C@@H]2CCCNN2)OC)C(=O)O	78Q	(2r,3r,6e)-7-[3-({[(3s)-hexahydropyridazine-3-carbonyl]oxy}methyl)phenyl]-3-methoxy-2-methylhept-6-enoic acid
+C[C@@H]1[C@@H](CC/C=C/c2cccc(c2)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc4cccc(c4)O)OC	78R	11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone
+CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C	78S	(2r)-3-dimethoxyphosphoryloxy-2-[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid
+OP(=O)[O-]	78T	oxidanylphosphinate
+C[C@@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N	78U	(betas)-beta-methyl-l-tryptophan
+COCN1C=CC(=NC1=O)NCCNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	78V	4-[2-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-one
+CC(=O)CS/C(=N/c1ccc(cc1)Cl)/NC(=O)c2c(cccc2Cl)F	78W	2-oxidanylidenepropyl ~{n}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{n}'-(4-chlorophenyl)carbamimidothioate
+C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)Cc4cccc(c4)O)C(C)C)C)OC	78X	11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone
+Cc1c(nn(n1)c2ccccc2)C(=O)N	78Y	5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide
+Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(nc3)C(F)(F)F	78Z	2-(1,1-difluoroethyl)-5-methyl-n-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+c1cc2c(c(c1)OP(=O)(O)O)NCCC2	790	1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate
+c1ccc(cc1)C(C(=O)O)C(=O)O	791	2-phenylmalonic acid
+CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc2c[nH]c3c2cc(cc3)C)C(=O)O	792	n-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-d-tryptophan
+C[C@H](c1ccccc1)NC2=C(C(=O)C2=O)Nc3ccncc3	793	3-{[(1r)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
+c1ccc2c(c1)cccc2N(c3ccccc3C(=O)O)C(=O)C(=O)O	794	2-[(carboxycarbonyl)(1-naphthyl)amino]benzoic acid
+c1cc(cnc1)c2nc(cs2)C=O	795	2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde
+CNc1nccc(n1)c2ccc(s2)C(=O)N[C@@H](Cc3ccc(cc3Cl)Cl)CN	796	n-[(1s)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
+c1cc(cc2c1cc(cc2)O)c3c4ccc(cc4on3)O	797	3-(6-hydroxy-naphthalen-2-yl)-benzo[d]isooxazol-6-ol
+c1cc(ccc1c2ccsc2)C(=O)c3ccc(cc3)OC[C@H]4CCCN4	798	{4-[(2r)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone
+Cc1nc(n(n1)C(C)C)c2cn3c(n2)-c4ccc(cc4OCC3)c5cnn(c5)C(C)(C)C(=O)N	799	2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1h-pyrazol-1-yl)propanamide
+CS(=O)(=O)c1ccc(c2c1[C@@H](C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N	79A	3-{[(1s)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1h-inden-4-yl]oxy}-5-fluorobenzonitrile
+c1ccc2c(c1)c(nc(n2)c3cccnc3)N[C@@H]4Cc5ccc(cc5C4)C#CCCCCCCCCC(=O)O	79B	11-[(2~{r})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{h}-inden-5-yl]undec-10-ynoic acid
+CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5	79C	4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+CC[C@@H]1c2c(ncn2-c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C)C#N	79D	4-{[(6r)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	79E	jc96
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NP(=O)(CNC(=O)OCc1ccccc1)O	79F	(2~{s})-4-methyl-2-[[(2~{s})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid
+CC(C)CN(C[C@@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@H](CCO3)N)O)S(=O)(=O)c4ccc(cc4)OC	79G	(4s)-4-amino-n-[(2s,3s)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3,4-dihydro-2h-chromene-6-carboxamide
+CC(C)C1C(=Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCN(C)C	79H	5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+[H]/N=C/[C@H](C[C@@H]1CCNC1=O)N	79I	3-[(2s)-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](CO)O)O)(C(=O)O)O)OC(=O)C	79J	4-o-acetyl-5-acetamido-3,5-dideoxy-l-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3cc[n+](cc3)[O-])Cl	79K	vercirnon
+C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3)O	79L	(2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{r})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O	79M	(2r)-2,3-dihydroxypropyl (7z)-hexadec-7-enoate
+CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O	79N	(2s)-2,3-dihydroxypropyl (7z)-hexadec-7-enoate
+c1ccc(c(c1)C2=Nc3c4cc(ccc4oc3C(=O)N2)Br)Cl	79O	8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3h)-one
+C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@@H](C)NC(=O)CN4CCOCC4)O	79P	(2~{s})-3-(1~{h}-indol-3-yl)-~{n}-[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{r})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6	79Q	3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{n}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide
+C[C@@H]1CCCC[C@@H]1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)/C=C(/C#N)\C(=O)N(C)C	79R	(~{z})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide
+C[C@@H]1CCCC[C@@H]1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)C[C@@H](C#N)C(=O)N(C)C	79S	(2~{s})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide
+CN(C)C(=O)C(=Cc1ccc(o1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)C#N	79T	2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{n},~{n}-dimethyl-prop-2-enamide
+CN(C)C(=O)c1ccc2c(c1)c(nn2c3ccc(cc3)C(=O)O)Oc4c(cccc4Cl)C(F)(F)F	79U	4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid
+c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F	79V	(2r,3s,4r)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile
+c1cc(cc(c1)[C@@H]2CC(=O)CS2(=O)=O)C=O	79W	3-[(2s)-1,1-dioxido-4-oxotetrahydrothiophen-2-yl]benzaldehyde
+COc1cc-2c(cc1OC)C(=O)n3c2cc4c3ccc(c4)O	79X	2-hydroxy-8,9-dimethoxy-6h-isoindolo[2,1-a]indol-6-one
+CS(=O)(=O)N1CCO[C@@H](C1)c2csc(n2)c3ccccc3NC(=O)c4[nH]ccn4	79Y	n-(2-{4-[(2s)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}phenyl)-1h-imidazole-2-carboxamide
+CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(CCO)S(=O)(=O)C)C4CC4	79Z	5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-n-methyl-1-benzofuran-3-carboxamide
+CCNc1c(ccc(n1)c2ccc(c(c2)F)NC(=O)NCc3ccc([n+](c3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N)C(=O)NCCN5CCCCC5	7A0	[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CCNc1c(ccc(n1)c2ccc(c(c2)F)NC(=O)NCc3ccc(nc3)N)C(=O)NCCN4CCCCC4	7A1	6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{n}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
+C(C(=O)O)[C@]([C@H](C(=O)O)O)(C(=O)O)O	7A2	3-c-carboxy-2-deoxy-l-threo-pentaric acid
+C(C(=O)O)[C@]([C@@H](C(=O)O)O)(C(=O)O)O	7A3	3-c-carboxy-2-deoxy-d-erythro-pentaric acid
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)C(C)C)F)CC(=O)O	7A4	[(1z)-5-fluoro-2-methyl-1-{[4-(propan-2-yl)phenyl]methylidene}-1h-inden-3-yl]acetic acid
+C[C@@H]1COCCN1C2=CC(=O)N3CC[C@H](N(C3=N2)CC(=O)C(C)C)C(F)(F)F	7A5	(8s)-2-[(3r)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one
+CCCSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2ncnc3N)O)O	7A6	(2s,3s,4r,5s)-2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(propylsulfanyl)methyl]pyrrolidine-3,4-diol
+[H]/N=C(\c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC	7A7	methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
+CC1=CC[C@@H](CC1)N(C)C	7A8	(1r)-dimethyl-(4-methyl-cyclohex-3-enyl)-amine
+c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5	7A9	palonosetron
+COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl	7AA	methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/2\CC/C(=C\C=O)/C=C2)/C	7AB	(2e)-{(4e)-4-[(3e)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene}acetaldehyde
+Cn1cnc2c1c(c(c(c2)C#N)c3ccccc3Cl)CN	7AC	7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1h-benzimidazole-5-carbonitrile
+CN(C)CCCNC(=O)c1cccc2c1nc3ccccc3c2N	7AD	9-amino-n-[3-(dimethylamino)propyl]acridine-4-carboxamide
+CS(=O)(=O)N1CCO[C@@H](C1)c2csc(n2)c3cc(ccc3NC(=O)c4[nH]ccn4)N5CCOCC5	7AE	n-[2-{4-[(2s)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}-4-(morpholin-4-yl)phenyl]-1h-imidazole-2-carboxamide
+C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C	7AF	~{n}-[(2~{s})-1-[[(2~{s})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+C[C@@H](Cn1cc(nn1)CNC(=O)CCCC(=O)Nc2cccc(c2)C(=O)N)c3ccccc3	7AG	~{n}'-(3-aminocarbonylphenyl)-~{n}-[[1-[(2~{r})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide
+c1cc(ccc1CC(=O)Nc2ccc3c(c2)c(c[nH]3)C4CCNCC4)F	7AH	2-(4-fluorophenyl)-n-(3-piperidin-4-yl-1h-indol-5-yl)ethanamide
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O)O	7AI	(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CN1CCN(CC1)CCn2cc(c3c2cc(c(c3)OC)OC)c4cc5c(ccnc5[nH]4)Cl	7AJ	4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1h-indol-3-yl}-1h-pyrrolo[2,3-b]pyridine
+C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)N)O)O)O	7AK	(+)-discodermolide
+C[C@]12C[C@H](CC([C@@H]1C[C@@H](C(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)O)(C)C)Cl	7AL	chlorolissoclimide
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)C(=O)NP(=O)(O)O	7AM	[[(2~{s})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid
+CC(=O)NCCc1c[nH]c2c1cccc2	7AN	~{n}-[2-(1~{h}-indol-3-yl)ethyl]ethanamide
+C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])O)O)O	7AO	[(3~{z},5~{s},6~{s},7~{s},8~{r},9~{s},11~{z},13~{s},14~{s},15~{s},16~{z},18~{s})-19-[(2~{s},3~{r},4~{s},5~{r})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] ~{n}-[3-[(3-azidophenyl)carbonylamino]propyl]carbamate
+C[C@@H]([C@H](c1cnc2c(n1)c(nc(n2)N)N)O)O	7AP	(1s,2s)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol
+c1ccc(cc1)C[C@H](C(=O)O)N2C(=O)c3cc(c(cc3C2=O)Cl)Cl	7AR	(2r)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-phenylpropanoic acid
+[H]/N=C\C1(CC1)NC(=O)[C@H](CC(C)(C)F)N[C@@H](c2ccc(cc2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F	7AS	4-fluoro-n-{1-[(z)-iminomethyl]cyclopropyl}-n~2~-{(1s)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl }-l-leucinamide
+c1c([nH]nn1)c2c3c(ncnc3n(n2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N	7AT	1-(5-o-phosphono-beta-d-ribofuranosyl)-3-(1h-1,2,3-triazol-5-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cn1c(c(c2c1nccc2Cl)c3ccc(cc3)CO)c4ccc(cc4)N5CCNCC5	7AU	(4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol
+CNc1nc(cs1)c2ccc3c(c2)CCN3C(=O)c4ccccc4OCc5ccc(cc5)Cl	7AV	{2-[(4-chlorophenyl)methoxy]phenyl}{5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydro-1h-indol-1-yl}methanone
+CCC[C@@H](CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C)NC(=O)OCc3cncs3	7AW	n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2r,5s)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-l-valinamide
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3ccc4ccc(cc4c3)C#N	7AX	7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy)phenoxy)-2-naphthonitrile
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)Cl)C#N	7AY	5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)O)P(=O)(O)O	7AZ	phosphonato-calix[6]arene
+C(CCN)C[C@@H](C(=O)O)NS(=O)(=O)N	7B0	(2~{s})-6-azanyl-2-(sulfamoylamino)hexanoic acid
+c1ccc(cc1)C(=O)Nc2nc3cc(ccc3o2)S(=O)(=O)N	7B1	n-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide
+Cc1c2cnn3c(c2c(n1C)C[n+]4cc5c(n(c(c5c(n4)Cl)C)C)C)nnc3c6c(n(c(c6C=O)C)C)C	7B2	4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde
+Cc1c2cnnc(c2c(n1C)C)OC	7B3	4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine
+Cc1c2cnnc(c2c(n1C)C)Cl	7B4	4-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine
+CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(OC)OC)C(=O)OC)/C)/C)C	7B5	methyl (2r)-3-dimethoxyphosphoryloxy-2-[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate
+C1CCC(CC1)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)NC(=O)N[C@@H](CCCCN)C(=O)O	7B6	(2~{s})-6-azanyl-2-[[(2~{r})-1-[[(1~{r},2~{s},4~{s})-2-bicyclo[2.2.1]heptanyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid
+COc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N	7B7	1-(4-aminobenzyl)-3-{2-[(2r)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea
+c1cc(cc(c1)NC(=O)CCC(=O)NCCc2cn(nn2)CCNS(=O)(=O)c3cccc(c3)C(=O)O)C(=O)N	7B8	3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CNC(=CC2=O)CCCO)O	7B9	[5-hydroxy-4-({[6-(3-hydroxypropyl)-4-oxo-1,4-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+COc1ccc(cc1O)/C=C\c2cc(c(c(c2)OC)OC)OC	7BA	combretastatin a4
+C1CC(CCC1C(=O)O)OC(=O)N(CCCCC(=O)O)/C(=C/S)/N	7BB	trans-4-({[(e)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid
+C=CC(=O)OCCC(=O)O	7BC	3-(acryloyloxy)propanoic acid
+c1ccc2c(c1)-c3ccccc3C2=NOCCC(=O)O	7BD	3-[(9h-fluoren-9-ylideneamino)oxy]propanoic acid
+CC1(CCC(c2c1cc3c(c2)O[C@@]4(CCc5cc(ccc5O4)C(=O)O)CC3)(C)C)C	7BE	(2~{r})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid
+c1cc2cnccc2c(c1)OC[C@H]3CCCN3c4ccnc5n4ncn5	7BF	5-[[(2~{r})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline
+c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F	7BG	2-amino-7-benzyl-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-6-oxo-6,9-dihydro-1h-purin-7-ium
+Cc1ccccc1OC[C@H]2CCCN2c3c4c(nc[nH]4)ncn3	7BH	6-[(2~{r})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{h}-purine
+c1cc(ccc1OCCN2C(=O)C3(CCCCC3)NC2=O)F	7BJ	3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
+C[C@@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3	7BK	2-fluoranyl-5-[2-[(4~{r})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
+C/C=C/C/C(=C\[C@H]1C/C=C/C=C/C[C@@H](/C=C(/[C@H](C/C=C/[C@H](CC(=O)O1)O)OC)\C)C)/C	7BL	(4s,5e,8s,9e,11s,13e,15e,18r)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1z,4e)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O	7BN	(2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O	7BO	(2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+CC(C)(C)[C@@H]1CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F	7BP	5-[2-[(4~{s})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O	7BQ	(2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[(2~{r})-3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+CC1(CCS(=O)(=O)CC1)[C@@H]2CC(=O)N(C2)CCOc3ccc(c(c3)C#N)F	7BR	2-fluoranyl-5-[2-[(4~{s})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
+C/C=C/C/C(=C\[C@H]1C/C=C/C=C/C[C@@H](/C=C(/[C@H](C/C=C/[C@H](CC(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC)O)OC)\C)C)/C	7BS	(4s,5e,8s,9e,11s,13e,15e,18r)-8-methoxy-9,11-dimethyl-18-[(1z,4e)-2-methylhexa-1,4-dien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-o-methyl-beta-d-glucopyranoside
+COc1cc(cc(c1OC)OC)/C=C\C(=O)NCC[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	7BT	(~{z})-~{n}-[2-[(2~{r},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
+c1cc2n3c1C(=C4C=CC5=[N]4[Zn]36N7C(=C5C(F)(F)F)C=CC7=C(C8=[N]6C(=C2C(F)(F)F)C=C8)C(F)(F)F)C(F)(F)F	7BU	[5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]zinc
+c1cc2c(cc1N3CCCCCC3)sc(n2)C4=N[C@H](CS4)C(=O)O	7BV	(4s)-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+CC1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)C	7BW	5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile
+c1cc(cc(c1)S(=O)(=O)NC2CC2)C#N	7BX	3-cyano-~{n}-cyclopropyl-benzenesulfonamide
+CCC(=O)NCCCNc1c2cc(c(cc2nc(n1)N3CCCC3)OC)OC	7BY	n-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide
+BN(C)C	7BZ	n,n-dimethylboranamine
+c1cc(cc(c1)Cl)[C@H](CCCCCN)OC(=O)O	7C0	(1s)-6-amino-1-(3-chlorophenyl)hexyl hydrogen carbonate
+[H]/N=C(\c1ccc(cc1)N2C(=O)c3cccc(c3C2=O)C)/N	7C1	4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzenecarboximidamide
+CCCCC[C@H](CCCCCN)OC(=O)O	7C2	(6r)-1-aminoundecan-6-yl hydrogen carbonate
+C(CCN)CC(=O)C(=O)O	7C3	6-azanyl-2-oxidanylidene-hexanoic acid
+CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C)Cc4ccc(cc4)OC)C)CC(C)C)C)C(C)C)O	7C4	(2~{s})-~{n}-[(2~{r})-1-[[(3~{s},6~{s},8~{s},12~{s},13~{r},16~{s},17~{r},20~{s},23~{s})-13-[(2~{s})-butan-2-yl]-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-~{n}-methyl-1-[(2~{s})-2-oxidanylpropanoyl]pyrrolidine-2-carboxamide
+c1c(nc2c(n1)NC(=NC2=O)N)C(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	7C5	5'-o-(2-amino-4-oxo-1,4-dihydropteridine-6-carbonyl)adenosine
+C[C@H]1[C@@H]2[C@H](CN1S(=O)(=O)c3ccc4c(c3)OCO4)c5cnccc5N(C2=O)C	7C6	(3s,3as,9bs)-2-[(2h-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4h-pyrrolo[3,4-c][1,6]naphthyridin-4-one
+CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](COC)C(=O)NCc1cccc2c1cccc2)NC(=O)CCc3ccccc3	7C7	n,n-diethyl-n~2~-(3-phenylpropanoyl)-l-asparaginyl-o-methyl-n-[(naphthalen-1-yl)methyl]-l-serinamide
+C[C@H](CCCN1CCN(CC1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C	7C8	[3,5-bis(chloranyl)phenyl]methyl 4-[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentyl]piperazine-1-carboxylate
+COC[C@@H](C(=O)O)N	7C9	o-methyl-l-serine
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3c(c(cc(c3C2=O)O)O)CCC(C)C)c4ccc(cc4)OC)O)O)O	7CA	5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside
+c1cc2cnccc2c(c1)S(=O)(=O)N	7CB	isoquinoline-5-sulfonamide
+CCN(CC)C(=O)C[C@@H](C(=O)O)N	7CC	n,n-diethyl-l-asparagine
+c1ccc2c(c1)cccc2CN	7CD	1-(naphthalen-1-yl)methanamine
+COc1ccccc1Nc2cc3c(cc([nH]3)c4cnco4)cn2	7CE	n-(2-methoxyphenyl)-2-(1,3-oxazol-5-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
+C[C@H](CCC(=O)N[C@@H]1CCN(C1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C	7CF	[3,5-bis(chloranyl)phenyl]methyl (3~{r})-3-[[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pyrrolidine-1-carboxylate
+c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cc(ccc3Br)Br	7CG	2,5-dibromo-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O	7CH	(2s,4ar,6r,7r,7as)-6-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
+c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O)C#N	7CI	7-cyano-7-deazainosine
+c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cccc(c3)F	7CJ	3-fluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
+c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)c([nH]c4C(=O)O)O	7CK	7-carboxy-5-hydroxy-12,13-dihydro-6h-indolo[2,3-a]pyrrolo[3,4-c]carbazole
+CCCCCCl	7CL	1-chloropentane
+c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3ccc(c(c3)Cl)F	7CM	3-chloro-4-fluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
+c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br	7CN	3-bromo-n-[3-(2-oxo-2,3-dihydro-1h-pyrrol-1-yl)phenyl]benzene-1-sulfonamide
+c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F	7CO	2,6-difluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
+Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C	7CP	(4r)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
+COc1ccc(cc1S(Nc2cccc(c2)N3CCCC3=O)(O)O)Br	7CQ	5-bromo-2-methoxy-n-(3-(2-oxopyrrolidin-1-yl)phenyl)benzenesulfonamide
+c1cc2c(cc1[C@@H](CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)O)OC(=O)N2	7CR	[3,5-bis(chloranyl)phenyl]methyl 4-[(3~{r})-3-oxidanyl-3-(2-oxidanylidene-3~{h}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
+CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccn4	7CS	(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1h-pyrrolo[2,3-b]pyridine-3-carboxylate
+CNS(=O)(=O)c1cccc2c1ccnc2	7CT	~{n}-methylisoquinoline-5-sulfonamide
+C[C@@H](CNc1cnc(c(n1)c2cc3ccccc3[nH]2)C(=O)N)N	7CU	5-{[(2s)-2-aminopropyl]amino}-3-(1h-indol-2-yl)pyrazine-2-carboxamide
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)OC)OC)O	7CV	6-deoxy-2,3-di-o-methyl-alpha-l-mannopyranose
+C[C@H](CCC(=O)NCCNC(=O)OCc1cc(cc(c1)Cl)Cl)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C	7CW	[3,5-bis(chloranyl)phenyl]methyl ~{n}-[2-[[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO)N	7CY	(1r,2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
+C1=CC=C(C(=S)C=C1)O	7CZ	2-hydroxycyclohepta-2,4,6-triene-1-thione
+c1c(cc(cc1F)F)O[C@H]2[C@H]3C[C@]3([C@@H]([C@@H]([C@H]2O)O)O)CO	7D0	(1~{r},2~{s},3~{s},4~{r},5~{s},6~{s})-5-[3,5-bis(fluoranyl)phenoxy]-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol
+C1CO[C@@H]([C@H]([C@@H]1O)O)CO	7D1	1,5-anhydro-2-deoxy-d-arabino-hexitol
+C1[C@H]2[C@@]1([C@@H]([C@@H]([C@H]([C@H]2O)O)O)O)CO	7D2	(1~{r},2~{s},3~{s},4~{s},5~{s},6~{s})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)CO)N	7D3	[(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CO)N	7D4	[[(2~{s},3~{r},4~{r})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)O)CO)N	7D5	[(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate
+CNC(=O)c1ccc2cc(ccc2c1)[C@]3(CCn4c3cnc4)O	7D6	(s)-orteronel
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)CO)CO)N	7D7	[(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)oxetane-2,3-diyl]dimethanol
+C1[C@H]2C[C@]2([C@@H]([C@@H]([C@H]1F)O)O)CO	7D8	(1~{r},2~{s},3~{s},4~{s},6~{r})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)S(=O)(=O)O)(C)C	7D9	(16~{r})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{s},3~{s},4~{r})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid
+c1cn(c2c1c(ncn2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	7DA	7-deaza-2'-deoxyadenosine-5'-monophosphate
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O	7DB	(2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[(2~{s})-3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)/N=N/c2ccc(cc2)C(=O)N[C@H](C=O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)N	7DC	4-[(~{e})-[4-[[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{n}-[(2~{s})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	7DD	7-deazaadenosine-5'-diphosphate
+CCOC(=O)c1c(nn(c1C)c2cccc(c2)[N+](=O)[O-])C	7DE	3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester
+CC1(C[C@H]2C[C@H]([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C	7DF	dihydropentalenolactone f
+C1C=NC2=C1C(=O)NC(=N2)N	7DG	7-deazaguanine
+C(C=CC(=O)C(=O)O)O	7DH	(3e)-5-hydroxy-2-oxopent-3-enoic acid
+[H]/N=C/[C@H](CCC(=O)NCC)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F	7DI	pf-07321332, bound form
+C[C@@](CNC(=O)c1cnc2n1nc(cc2NC)Nc3c(c(cc(c3F)F)F)F)(CO)O	7DJ	n-[(2r)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
+COC(=O)Nc1ccc-2c(c1)NC(=O)CCCCC[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	7DK	methyl ((15s)-15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8,17,19-triazatricyclo[14.2.1.0~2,7~]n onadeca-1(18),2,4,6,16(19)-pentaen-5-yl)carbamate
+COC(=O)Nc1ccc-2c(c1)CCCCCCC[C@@H](c3[nH]c(c2n3)Cl)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	7DL	((15s)-18-chloro- 15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2- propenoyl)amino)-17,19-diazatricyclo[14.2.1.0~2,7~]nonadeca-1(18),2,4,6,16(19)-pentaen-5-yl)carbamate
+c1cc2c(cc1C(=O)O)C(=CC(=O)N2)O	7DM	4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid
+Cc1cccc2c1nc(cc2)N3CCC(CC3)C(=O)N[C@H]4CCC[C@H]4CCc5ccccc5C(=O)O	7DN	2-{2-[(1s,2s)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid
+CC(=O)NCCc1ccc(c(c1)O)O	7DP	~{n}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide
+CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N	7DQ	6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccccc3	7DR	6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
+COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	7DS	methyl ((12e,15s)-15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8,17,19-triazatricyclo[14.2.1.0~2, 7~]nonadeca-1(18),2,4,6,12,16(19)-hexaen-5-yl)carbamate
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	7DT	7-deazaadenosine-5'-triphosphate
+[H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)/N=N/c2ccc(cc2)CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)N	7DU	(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{n}-[(2~{s})-1-[[4-[(~{e})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide
+Cc1cc(ccc1O)O	7DV	2-methylbenzene-1,4-diol
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCc2ccc(cc2)F)O)O	7DW	11-(4-fluorophenyl)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide
+c1ccc(cc1)c2csc(n2)c3ccc4ccc(nc4c3)NC(=O)C[C@@H](C5CCCCC5)C(=O)O	7DX	(2~{s})-2-cyclohexyl-4-oxidanylidene-4-[[7-(4-phenyl-1,3-thiazol-2-yl)quinolin-2-yl]amino]butanoic acid
+C[C@@H]([C@@H](Cc1ccc(cc1)Cl)c2cccc(c2)C#N)NC(=O)C(C)(C)Oc3ccc(cn3)C(F)(F)F	7DY	n-[(2s,3s)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide
+C[C@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C	7DZ	(7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5h)-one
+CC1=C[C@@H]2[C@](CC1)([C@]3(CC[C@H]([C@@]34CO4)O2)C)C	7E0	trichothecene
+c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CCCCC(=O)O)c5ccc(cc5)O	7E1	6-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid
+c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCC(=O)O)c5ccc(cc5)O	7E3	5-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid
+c1ccc2c(c1)c(nc(n2)c3cccnc3)N[C@H]4Cc5ccc(cc5C4)C#CCCCCCCCCC(=O)O	7E4	11-[(2~{s})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{h}-inden-5-yl]undec-10-ynoic acid
+c1ccc(c(c1)C(=O)O)O[C@@H]2C[C@H](NC2)C(=O)O	7E5	(2~{s},4~{r})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid
+Cc1nnc2n1nc(cc2)c3cnn(c3Oc4ccccc4)C	7E7	3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
+CCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O	7E8	(2r)-2,3-dihydroxypropyl (7z)-tetradec-7-enoate
+CCCCCC/C=C\CCCCCC(=O)OC(CO)CO	7E9	1,3-dihydroxypropan-2-yl (z)-tetradec-7-enoate
+Cc1nnc2n1nc(cc2)c3ccc(c(c3)OC)OC	7EA	6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
+CN(C)CCOc1ccc(cc1)C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O	7EB	4-bromophenyl (1s,2r,4s)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCN6CCCCC6)O	7EC	4-bromophenyl (1s,2r,4s)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+CC[C@H](c1ccc(cc1)O)[C@H](c2ccc(cc2)O)C(=O)OCCCCCCCCOC(=O)C(c3ccc(cc3)O)C(CC)c4ccc(cc4)O	7ED	8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2r,3s)-2,3-bis(4-hydroxyphenyl)pentanoate
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5ccc(cc5)N)O)O	7EE	(14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol
+CC(=CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O)C	7EF	4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)/C=N/O)O)O	7EG	2~3~-[(e)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol
+Cn1c2c(cc(cn2)c3ccccc3)nc1N	7EH	3-methyl-6-phenyl-3h-imidazo[4,5-b]pyridin-2-amine
+COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O	7EI	(1r,2s,4r)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3ccc(n3CCCCOC)c4ccccc4	7EJ	1-(4-methoxybutyl)-n-(2-methylpropyl)-n-[(3s,5r)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1h-pyrrole-2-carboxamide
+CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3c(n(nn3)c4ccccc4)CCCCOC	7EK	5-(4-methoxybutyl)-n-(2-methylpropyl)-n-[(3s,5r)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1h-1,2,3-triazole-4-carboxamide
+c1cc(ccc1c2ccc(c(c2Cl)O)/C=N/O)O	7EL	2-chloro-4-[(e)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol
+c1cc(ccc1c2cc(sc2c3ccc(cc3)O)c4ccc(cc4)O)O	7EM	4,4',4''-(thiene-2,3,5-triyl)triphenol
+c1cc(c(cc1O)Cl)C2=C(S(=O)C=C2)c3ccc(cc3Cl)O	7EN	(1s)-2,3-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one
+c1cc(c(cc1O)Cl)C2=CC=C(S2=O)c3ccc(cc3Cl)O	7EO	2,5-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C	7EP	(2r,4s)-2-[(1r)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1cc(c(cc1O)F)C2=CC=C(S2=O)c3ccc(cc3F)O	7EQ	2,5-bis(2-fluoro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one
+c1cc(c(cc1O)F)C2=CS(=O)(=O)C=C2c3ccc(cc3F)O	7ER	3,4-bis(2-fluoro-4-hydroxyphenyl)-1h-1lambda~6~-thiophene-1,1-dione
+c1cc(c(cc1O)F)c2ccsc2c3ccc(cc3F)O	7ES	4,4'-(thiene-2,3-diyl)bis(3-fluorophenol)
+c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O	7ET	3-fluorophenyl (1s,2r,4s)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1cc(ccc1C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCC(=O)O)O	7EV	5-{4-[(1s,4s,5r)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid
+C1CC[C@H]2[C@@H](C1)O2	7EX	(1r,6s)-7-oxabicyclo[4.1.0]heptane
+Cc1ccc(cc1)c2csc3c2c(ncn3)SCCC(=O)O	7EY	3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid
+CC/C=C\CC([C@@H](C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O)O	7EZ	(4z,7z,10z,13z,16r,17r,19z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)/C=C/S(=O)(=O)C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)CN5CCOCC5	7F1	(2s)-n-[(e,2s)-1-(1h-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2s)-3-(1h-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide
+CCCCCC[C@H](CO)O	7F2	(2r)-octane-1,2-diol
+c1cc2c(c(c1)F)C(=N[C@@]2(c3ccc(c(c3)c4cncnc4)F)c5ccnc(c5)C(F)(F)F)N	7F3	(1s)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1h-isoindol-3-amine
+C1CCNC(=O)[C@@H](C1)N	7F4	(3~{r})-3-azanylazepan-2-one
+Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F	7F5	3-(3-fluorophenyl)-n-{2-[2-(5-methyl-1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
+c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O	7F6	(1r,2r)-1,2-diphenylethane-1,2-diol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2CCCCNC2=O)O	7F7	[6-methyl-5-oxidanyl-4-[(~{e})-[(3~{r})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
+CCNC(=O)CN(c1ccc(cc1)OC)C(=O)c2ccc(cc2O)O	7F9	~{n}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{n}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide
+CCCCCC=CC/C=C\C/C=C\CCCCC[P@@](=O)(OC)F	7FA	methyl (r)-(6z,9z,12z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
+CCCC[C@H](CO)O	7FB	(2r)-hexane-1,2-diol
+c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Cl)Cl)O)C(=O)O	7FC	4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid
+CCOC(=O)C=Cc1ccc(cc1)C(=C2CCCCC2)c3ccc(cc3)O	7FD	ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate
+Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CN4CCCC4)C(=O)c5ccc(cc5O)O)Cl	7FE	~{n}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)-~{n}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
+COC(=O)N1CCCc2c1ccc(c2)N	7FF	methyl 6-azanyl-3,4-dihydro-2h-quinoline-1-carboxylate
+CCOC(=O)C=Cc1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O	7FG	ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate
+C1=CC(=S)N(C=C1C(F)(F)F)O	7FH	1-hydroxy-5-(trifluoromethyl)pyridine-2(1h)-thione
+c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2	7FJ	4,4'-[(1,3-dihydro-2h-inden-2-ylidene)methylene]diphenol
+CN1CC/C=C/CCCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O	7FK	15-chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydrobenz[c][1]azacyclohexadecine-1,13(2h,14h)-dione
+c1cc(ccc1C(=C2CCCCCC2)c3ccc(cc3)O)O	7FL	4,4'-(cycloheptylidenemethylene)diphenol
+CS(=O)(=O)N1CCCCC(=O)N2CCc3c2ccc(c3)Nc4ncc(c(n4)NCc5c1nccc5)C(F)(F)F	7FM	25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12h-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6h)-one
+c1cc(oc1C(=O)O)C(=O)O	7FN	2,5 furan dicarboxylic acid
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)I)c5ccc(cc5)O)O	7FO	4-iodophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+CC(=O)Nc1ccc(cc1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	7FP	4-(acetylamino)phenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccc(cc5)OC)O	7FQ	(9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol
+CC(C)c1ccc(cc1)/N=C\2/CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C	7FR	(9beta,13alpha,17z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol
+CC(C)c1ccc(cc1)N[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C	7FS	(9beta,13alpha,17beta)-17-{[4-(propan-2-yl)phenyl]amino}estra-1(10),2,4-trien-3-ol
+Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)Cc4ccccc4	7FT	4-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-5-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine
+c1cc2c(cc1C(=O)NN)sc(n2)NN	7FU	2-hydrazino-1,3-benzothiazole-6-carbohydrazide
+Cc1cc2ccccc2nc1c3ccc4c(c3)CC[C@@H](N4C(=O)c5ccc(cc5O)O)C	7FV	[2,4-bis(oxidanyl)phenyl]-[(2~{s})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{h}-quinolin-1-yl]methanone
+CN(Cc1ccc2c(c1)nccn2)C(=O)c3ccc(cc3)N(Cc4ccccc4)C(=O)c5ccc(cc5O)O	7FW	~{n}-[4-[methyl(quinoxalin-6-ylmethyl)carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{n}-(phenylmethyl)benzamide
+c1cc(c(cc1O)O)C(=O)N2CC[C@H](n3c2ccn3)C(F)(F)F	7FX	[2,4-bis(oxidanyl)phenyl]-[(7~{s})-7-(trifluoromethyl)-6,7-dihydro-5~{h}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC3=CCC(=O)C(=O)C3	7FY	~{n}-[4,5-bis(oxidanylidene)cyclohexen-1-yl]-4-phenyl-benzenesulfonamide
+Cc1cc(cc(c1O)C)c2ccc3c(c2)CC[C@@H]3O	7FZ	(1s)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1h-inden-1-ol
+C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]2O)c3ccc(cc3)O	7G0	(1s,3as,5s,7as)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol
+C[C@]12CC[C@@]3(CCc4c3ccc(c4)O)C[C@@H]1CC[C@@H]2O	7G1	(1s,1's,3a's,7a's)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol
+c1cc(c(cc1c2ccc(c(c2)F)O)/C=N/O)O	7G2	3-fluoro-3'-[(e)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol
+c1cc(ccc1c2ccc(c(c2)/C=N\O)O)O	7G3	3-[(z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol
+C12C3[Ru]1456789(C2C4C53)C1C6C7C8C91	7G4	ruthenocene
+c1cc(ccc1C2=C(CS(=O)(=O)C2)c3ccc(cc3)O)O	7G5	3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1h-1lambda~6~-thiophene-1,1-dione
+CN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7	7G6	6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C6CCN(CC6)C)C)CO	7G7	6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one
+CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)Oc4ccnc(c4)C(=O)NC)F	7G8	4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{n}-methyl-pyridine-2-carboxamide
+CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)OCCOC)F	7G9	~{n}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide
+C[C@@H](CC(C)C)C(=O)O	7GA	2,4-dimethylpentanal
+C/C=C/C(=O)N1CC[C@H](C1)N2c3c(c(ncn3)N)N(C2=O)c4ccc(cc4)Oc5ccccc5	7GB	6-azanyl-9-[(3~{r})-1-[(~{e})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one
+Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nccs2	7GC	4-methyl-n-(thiazol-2-ylcarbamoyl)benzenesulfonamide
+c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N	7GD	7-benzyl-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+c1ccc2c(c1)c[n+]([nH]2)[Ru-](Cl)(Cl)(Cl)(Cl)Cl	7GE	pentakis(chloranyl)-(1~{h}-indazol-2-ium-2-yl)ruthenium(1-)
+COC(=O)/C(=C\1/N(C(=O)CS1)c2ccc(cc2)Br)/CN	7GF	methyl (2z)-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate
+CCN(CC)/C=C\c1c2c(nc[nH]2)nc(n1)Nc3ccccc3	7GG	6-[(~{z})-2-(diethylamino)ethenyl]-~{n}-phenyl-7~{h}-purin-2-amine
+C[C@H]1CNC(=O)c2cnn3c2nc(cc3)N[C@@H](c4cc(ccc4O1)F)C	7GI	repotrectinib
+CN(C)C(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	7GJ	3-[[6-(cyclohexylmethoxy)-7~{h}-purin-2-yl]amino]-~{n},~{n}-dimethyl-benzamide
+c1cc(ccc1c2cc3c(ccnc3[nH]2)C#N)N4CCNCC4	7GK	2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile
+Cc1cc(cc(c1)Nc2cc(c3ncc(n3n2)C(=O)N)NC)C	7GL	6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
+C[C@]1(CCN(C1)CC2CC2)Oc3ccc(cc3)SC	7GM	(3r)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine
+CCOC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	7GP	n-[ethoxy(oxo)acetyl]-beta-d-glucopyranosylamine
+Cc1ncn(n1)c2ccc(c(c2)Cl)C(=O)N[C@@H]3[C@H]4CC[C@@H]3N(C4)c5c6c(c(cn5)Cl)c(no6)N	7GQ	n-[(1s,4s,7r)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1h-1,2,4-triazol-1-yl)benzamide
+CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)(CNC(=O)OCc1ccccc1)O	7GR	(2~{s})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid
+CCc1cc(c(cc1c2ccc3c(c2)n[nH]c3c4[nH]c5c(n4)CCN(C5)C(=O)c6cnc(cn6)N7CCCCC7)F)O	7GS	{2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-2h-indazol-3-yl]-3,4,6,7-tetrahydro-5h-imidazo[4,5-c]pyridin-5-yl}[5-(piperidin-1-yl)pyrazin-2-yl]methanone
+C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CC[C@H](C4)S(=O)(=O)c5ccccc5	7GT	{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3r)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone
+c1cn(c2c1C(=O)NC(=N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	7GU	7-deaza-2'-deoxyguanosine-5'-monophosphate
+C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CCCC4	7GV	{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone
+C([C@H]1[C@H]([C@H]([C@@H](O1)C(O)O)O)O)O	7GW	(2~{r},3~{r},4~{s},5~{s})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
+CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)Nc4ccc(nc4)C)O	7GX	6-(2-ethyl-4-hydroxyphenyl)-n-(6-methylpyridin-3-yl)-1h-indazole-3-carboxamide
+CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)N)O	7GY	6-(2-ethyl-4-hydroxyphenyl)-1h-indazole-3-carboxamide
+CCc1cc(ccc1c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4)O	7GZ	4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-3-ethylphenol
+CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cn3c(cc(n3)C(F)(F)F)Cl)C	7H0	7-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-n-ethyl-2-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
+c1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	7H1	2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{n}-oxidanyl-~{n}'-phenyl-octanediamide
+CC1=C(N2C(=NC(=CC2=O)Cn3c(cc(n3)C(F)(F)F)Cl)C=C1)[C@@H]4C[C@H]4C#N	7H2	(1r,2r)-2-(2-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile
+c1cc(c(cc1NC(=O)c2ccc(cn2)Br)[C@@]34[C@@H](CCO3)CSC(=N4)N)F	7H3	n-{3-[(4ar,7ar)-2-amino-4,4a,5,6-tetrahydro-7ah-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide
+CCC(=O)N1C[C@@H](CC[C@@H]1C)Nc2c3cc[nH]c3ncn2	7H4	1-{(2s,5r)-2-methyl-5-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
+CS(=O)(=O)c1cccc(c1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(=O)O)Cl	7H5	(3s)-8-(2-amino-6-{(1r)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
+CC1=CC[C@]2(C[C@@H]1O)[C@@H](CC[C@@H]2C(=O)O)C(C)C	7H6	(1s,4s,5s,9s)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid
+Cc1nnc2n1nc(c3c2cccc3)N[C@@H](C)[C@H](c4ccccc4)N(C)C	7H7	(1s,2s)-n~1~,n~1~-dimethyl-n~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine
+C[C@@H]1CN([C@H](C[NH2+]1)CN2CCCC2=O)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C	7H8	1-[[(2~{r},5~{r})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one
+C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(cn4)Cc5ccc(cc5)F)(C)C	7H9	1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[[(3~{r})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone
+Cc1c(nc(o1)c2ccc(cc2)Cl)COc3cccc(c3)CN(CC(=O)O)C(=O)OC	7HA	n-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-n-(methoxycarbonyl)glycine
+CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NC4CCC(CC4)O)c5cccc(c5F)Cl	7HC	(2's,3r,4's,5'r)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-n-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
+Cc1cc(no1)Cn2cc(cn2)c3c(cnc4c3[nH]c(n4)c5cn(nc5C)C)Cl	7HD	3-((4-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)-1h-pyrazol-1-yl)methyl)-5-methylisoxazole
+Cc1c(c2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Fe@]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)C=C)C)C=C)C)C	7HE	7-methyl-7-depropionatehemin
+CCOc1c(c(n(n1)c2ccccc2)NC(=O)N[C@@H]3CN(C[C@H]3c4ccc(c(c4)F)F)CCOC)C	7HF	1-[(3s,4r)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea
+C[C@H]1[C@H](/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1OC)C)C(C)C)Cc3cccc(c3)O)OC	7HG	3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
+c1ccc(cc1)C(=O)Nc2cc(ccc2OCc3ccc(cc3)Cl)C(=O)NCC(=O)O	7HH	n-{3-[(benzenecarbonyl)amino]-4-[(4-chlorophenyl)methoxy]benzene-1-carbonyl}glycine
+CCc1c(c2c(n1CC[C@H](C[C@H](CC(=O)O)O)O)CCCCC2)C(=O)Nc3ccc(cc3)c4ccccc4	7HI	(3r,5r)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4h)-yl]-3,5-dihydroxyheptanoic acid
+CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)NCc2cccc3c2cccc3)NC(=O)/C=C/c4ccccc4	7HJ	n,n-diethyl-n~2~-[(2e)-3-phenylprop-2-enoyl]-l-asparaginyl-4-fluoro-n-[(naphthalen-1-yl)methyl]-l-phenylalaninamide
+COC(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)Nc4ccncc4	7HK	methyl [11-oxo-3-(pyridin-4-ylamino)-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]acetate
+c1ccc(cc1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O	7HL	2-[(benzenecarbonyl)amino]-3-[(4-chlorophenyl)methoxy]benzoic acid
+c1ccc2c(c1)CN(C2=O)c3c(cccc3OCc4ccc(cc4)Cl)C(=O)O	7HM	3-[(4-chlorophenyl)methoxy]-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)benzoic acid
+c1cc(c(c(c1C(=O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O	7HN	3,4-dihydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methyl]benzoic acid
+c1ccc(c(c1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O)OCC(=O)O	7HO	2-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-3-[(4-chlorophenyl)methoxy]benzoic acid
+c1c2c(c(ncn2)O)[nH]n1	7HP	7-hydroxy-pyrazolo[4,3-d]pyrimidine
+c1ccc2c(c1)ncn2CO	7HQ	benzimidazol-1-ylmethanol
+CCc1c(n2cc(ccc2n1)C3CCN(CC3)S(=O)(=O)CCCN(C)C)N(C)c4nc(cs4)c5ccc(cc5)F	7HR	~{n}-[6-[1-[3-(dimethylamino)propylsulfonyl]piperidin-4-yl]-2-ethyl-imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-~{n}-methyl-1,3-thiazol-2-amine
+[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)C	7HS	(s)-2-acetamido-6-amino-n-((s)-5-guanidino-1-oxopentan-2-yl)hexanamide
+Cc1cnn(c1)C[C@H]2C[NH2+][C@@H](CN2CC(=O)N3CC(c4c3cc(nc4)Cc5ccccc5)(C)C)C	7HT	1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone
+C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(cn3)Cc4ccccc4)(C)C	7HU	1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone
+c1cc(c(cc1CNCCS(=O)(=O)O)Cl)Cl	7HV	2-[(3,4-dichlorobenzyl)amino]ethanesulfonic acid
+CC[C@H]([C@@H](C/C=C\C/C=C\C/C=C\CC=CC/C=C\CCC(=O)O)O)O	7HW	(4z,7z,10z,13z,16z,19r,20r)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid
+c1c[nH]c2c1c(ncn2)O	7HX	7h-pyrrolo[2,3-d]pyrimidin-4-ol
+CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](C)C(=O)NCc1cccc2c1cccc2)NC(=O)CCc3ccccc3	7HY	n,n-diethyl-n~2~-(3-phenylpropanoyl)-l-asparaginyl-n-[(naphthalen-1-yl)methyl]-l-alaninamide
+Cc1cc(no1)C(=O)N[C@@H](CC(=O)NOC(C)(C)C)C(=O)N[C@@H](COC)C(=O)NCc2cccc3c2cccc3	7HZ	n-tert-butoxy-n~2~-(5-methyl-1,2-oxazole-3-carbonyl)-l-asparaginyl-o-methyl-n-[(naphthalen-1-yl)methyl]-l-serinamide
+CC/C(=C(/c1ccc(cc1)/C=C/C(=O)O)\c2ccc3c(c2)c[nH]n3)/c4ccc(cc4Cl)F	7I0	(2e)-3-{4-[(1e)-2-(2-chloro-4-fluorophenyl)-1-(2h-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid
+Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)NCc4cccc5c4cccc5	7I1	3-methyl-n-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide
+c1cc2cn(nc2c(c1)[N+](=O)[O-])C(=N)N	7I2	7-nitroindazole-2-carboxamidine
+c1cc(ccc1/C=C/C(=O)O)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	7I5	(2e)-3-(4-{[(1s,2r,4s,5s,6s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid
+CSCC[C@@H](C(=O)N1CCC[C@@H]1c2ccccc2SC)NC(=O)NCc3ccc(cc3)N	7I6	1-(4-aminobenzyl)-3-[(2s)-4-(methylsulfanyl)-1-{(2r)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea
+COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)OCCCCN5CCCCC5)c6ccc(cc6)O	7I9	(1r,2s,4r,5r,6r)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-(4-propoxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
+c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)O	7IA	[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N	7ID	(2~{s})-4-[[(2~{s})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid
+c1cc(ncc1CN(CC(F)F)C2=CC(=O)OC2)Cl	7IE	flupyradifurone
+COCCNc1cc(ncc1CN)NC(=O)N2CCCc3c2nc(cc3)C(=O)C(F)(F)F	7IF	n-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide
+CCc1c(c(nc(n1)N)N)c2ccc(cc2)NCc3cc(cc(c3)F)F	7IG	5-{4-[(3,5-difluorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine
+CC(C)[C@@H]1CNC(=O)c2n1nc(c2)c3ccnc(c3)NC(=O)C4CC4	7IH	n-{4-[(7r,8r)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide
+CC(c1ccc(nc1)C(F)(F)F)[S@](=NC#N)(=O)C	7II	sulfoxaflor
+C[C@@H]1COCCN1c2cc3n(n2)[C@@H](CNC3=O)C(C)C	7IK	(7r,8r)-2-[(3r)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
+C[C@H]([C@@H](C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)[C@H](CCO)O)NC(=O)[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)O	7IM	n-[(2s)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-2-methyl-3-oxopropanoyl]-l-threonyl-n-[(3s,4s)-1,3-dihydroxy-6-methylheptan-4-yl]-l-allothreoninamide
+c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)NCc2ccc(cc2)C(=N)N	7IN	n-(benzylsulfonyl)seryl-n~1~-{4-[(z)-amino(imino)methyl]benzyl}serinamide
+COc1cccc(c1)c2cccc(c2)CCc3cccc(n3)N	7IP	6-[2-(3'-methoxybiphenyl-3-yl)ethyl]pyridin-2-amine
+C[C@@H]1COCCN1c2cc3n(n2)[C@@H]4CCC[C@@H]4NC3=O	7IQ	(5as,8ar,9s)-2-[(3r)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4h-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one
+CN1CCC[C@H]1COc2nc3c(cnc(c3F)c4cccc5c4c(ccc5)Cl)c(n2)N6CCNCC6	7IZ	7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine
+COC[C@@H](C(=O)NCc1cccc2c1cccc2)NC(=O)[C@H](CC(=O)N3CCCCC3)NC(=O)CCc4ccccc4	7J0	(2~{s})-~{n}-[(2~{s})-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-2-(3-phenylpropanoylamino)-4-piperidin-1-yl-butanamide
+COC[C@@H](C(=O)NCc1cccc2c1cccc2)NC(=O)[C@H](CC(=O)n3cccc3)NC(=O)CCc4ccccc4	7J1	(2s)-n-{(2s)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1h-pyrrol-1-yl)butanamide (non-preferred name)
+Cc1cc(ccc1F)c2cnc(nc2)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)C(C)C	7J2	(4s)-3-[2-({(1s)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one
+C1CCN(CC1)C(=O)C[C@@H](C(=O)O)N	7J3	(2s)-2-amino-4-oxo-4-(piperidin-1-yl)butanoic acid
+CC(C)(C)ONC(=O)C[C@@H](C(=O)O)N	7J4	n-tert-butoxy-l-asparagine
+CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)C(=O)N	7J5	4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide
+C[C@@H]1CN([C@H](C[NH2+]1)C(=O)N2CCOCC2)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C	7J6	1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone
+Cc1c(c(c([nH]1)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c[nH]4)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	7J8	3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{h}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{h}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{h}-pyrrol-2-yl]methyl]-1~{h}-pyrrol-3-yl]propanoic acid
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCC(=O)O)O	7J9	6-{4-[(1s,4s,6r)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic acid
+CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O	7JA	n-({(1r,2s)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetyl)-l-isoleucine
+CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c3ccccc3C2=O	7JB	~{n}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide
+Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)C)S(=O)(=O)NC4(CC4)C	7JC	1-methyl-~{n}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide
+c1cc(ccc1c2cc3c(c(c2)O)N=CNC3=O)F	7JD	6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+Cn1c2ccc(cc2cn1)[C@@H](c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O	7JE	5-(4-fluorophenyl)-~{n}-[[3-[(~{r})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide
+c1cc(ccc1c2c(c(c(c3c2C(=O)NC=N3)O)F)c4ccc(cc4)F)F	7JF	7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+c1cc(ccc1c2cc(c3c(c2c4ccc(cc4)F)C(=O)NC=N3)O)F	7JG	5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+Cc1c(sc(n1)C)c2cc3c(c(c2)O)N=CNC3=O	7JH	6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{h}-quinazolin-4-one
+CC1=CC=CN2C1=[N+](C(=C(C2=O)c3cc(cc(c3)Cl)Cl)[O-])Cc4cnc(s4)Cl	7JI	3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione
+c1cc(ccc1c2cc(c3c(c2Cl)C(=O)NC=N3)O)F	7JJ	5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+Cc1cc(sc1c2cc3c(c(c2)O)N=CNC3=O)C(=O)N4CCN(CC4)C	7JK	6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{h}-quinazolin-4-one
+c1c(cc(c2c1C(=O)NC=N2)O)Br	7JL	6-bromanyl-8-oxidanyl-3~{h}-quinazolin-4-one
+Cc1c(cccn1)c2cc3c(c(c2)O)N=CNC3=O	7JM	6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{h}-quinazolin-4-one
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)[C@@H]4C[C@H]4CNC(=O)c5cc(cc(c5O)O)c6ccc(cc6)F)O	7JN	4'-fluoro-4,5-dihydroxy-n-{[(1r,2r)-2-{(2s,4r,5r)-4-hydroxy-5-[6-(methylamino)-9h-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide
+C[C@H](C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)NC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F	7JO	n-[1-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1cc(ccc1c2cc3c(c(c2)O)N=CN(C3=O)CCCCCn4ccc5c4ccnc5)F	7JP	6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one
+c1cc(ccc1c2cc3cncnc3c(c2)O)F	7JQ	6-(4-fluorophenyl)quinazolin-8-ol
+CN1C=C(C=C(C1=O)O)c2ccccc2	7JR	1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one
+c1cc2cc(cc(c2nc1)O)c3ccc(cc3)F	7JS	6-(4-fluorophenyl)quinolin-8-ol
+c1cc2c(cc1Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO)OCO2	7JT	(3r)-3-{3-[(2h-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-n-hydroxybutanamide
+c1cc(ccc1c2cc3c(c(c2F)O)N=CNC3=O)F	7JU	7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+COCc1ccccc1c2cc3c(c(c2)O)NC=NC3=O	7JV	6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{h}-quinazolin-4-one
+c1cc(ccc1c2cc3c(c(c2)O)nccn3)F	7JW	7-(4-fluorophenyl)quinoxalin-5-ol
+c1c2cc(cnc2c(cc1Br)O)Cl	7JX	6-bromanyl-3-chloranyl-quinolin-8-ol
+c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCCCC(=O)O)c5ccc(cc5)O	7JY	7-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid
+C([C@@H]1[C@@H]([C@@H](C([C@@H](O1)O)(F)F)O)O)O	7JZ	2-deoxy-2,2-difluoro-beta-d-lyxo-hexopyranose
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CN)NP(=O)(CNC(=O)OCc1ccccc1)O	7K0	(2~{s})-2-[[(2~{s})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid
+Cc1ccc(c(c1)c2ccccc2)c3c(c4cccnc4[nH]3)CCC(=O)N5CCOC[C@H]5c6[nH]c7ccccc7n6	7K1	1-[(3~{r})-3-(1~{h}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one
+C1[C@@H]([C@H]([C@@H](CN1)O)O)CS[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	7K2	[(3s,4r,5r)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-d-mannopyranoside
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)S)O)O)O)O	7K3	1-thio-alpha-d-mannopyranose
+C[C@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3	7K4	2-fluoranyl-5-[2-[(4~{s})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCCC(=O)O)O	7K6	7-{4-[(1s,4s,6r)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid
+C[C@@H]1C[NH2+]CCCN1S(=O)(=O)c2cccc3c2ccnc3	7K7	5-[[(2~{r})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline
+C\1CN(C(=O)N/C1=N/O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	7K8	[(2~{r},3~{s},5~{r})-5-[(4~{e})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1cc(c(c(c1)O)O)C(=O)NCCCN(CCCCN(CCCNC(=O)c2cccc(c2O)O)C(=O)c3cccc(c3O)O)C(=O)c4cccc(c4O)O	7K9	n,n'-(butane-1,4-diyl)bis(n-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide)
+C[C@@H](C1=Nn2cccc2C(=O)N1c3ccccc3)Nc4c(c(ncn4)N)C#N	7KA	4-azanyl-6-[[(1~{s})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
+Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3	7KB	5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline
+Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C	7KC	pf-3758309
+CNC(=O)c1ccc(cc1)Nc2ncc(c(n2)NCc3c(nccn3)N(C)S(=O)(=O)C)C(F)(F)F	7KD	~{n}-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
+c1cc(ccc1c2nc(on2)CCCO)Cl	7KE	3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
+Cc1cccc(c1)Nc2c3c(nc(n2)N[C@@H]4CCCC[C@@H]4N)CNC3=O	7KF	2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5h-pyrrolo[3,4-d]pyrimidin-5-one
+Cn1cc(cn1)c2c3c(c(c(n2)N[C@@H]4CCCC[C@@H]4N)F)CNC3=O	7KG	6-{[(1r,2s)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1h-pyrazol-4-yl)-1,2-dihydro-3h-pyrrolo[3,4-c]pyridin-3-one
+[H]/N=C/c1nc(nc(n1)N(Cc2cn3ccccc3n2)C4CCCC4)N5CCOCC5	7KH	~{n}-cyclopentyl-~{n}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
+Cc1c(c(on1)C)CN[C@@H]2CCc3c(sc4c3C(=O)N(C=N4)Cc5ccc(c6c5cccc6)OC)C2	7KJ	(7~{r})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
+c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4cc(c(cc4F)Br)F)Cl	7KK	4-bromo-n-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide
+c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CC(=O)O)c5ccc(cc5)O	7KL	3-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccc3	7KM	4-fluoro-5-methyl-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
+c1cnc(cn1)CN(c2nc(nc(n2)N3CCOCC3)C=[N-])C4CCCC4	7KN	[4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide
+c1cc(cnc1)CN(Cc2cccnc2)c3cc(nc(n3)N)Cl	7KO	6-chloro-n~4~,n~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
+c1cc(ccc1/C=C/c2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	7KP	(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[3-[(~{e})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4 ,5-triol
+CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)OCCc4cccc(c4)[C@H](C1=O)Nc5ccc6c(c5)ccnc6N	7KQ	(5r)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione
+CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)CCc4cccc(c4)[C@H](C1=O)Nc5ccc6c(c5)ccnc6N	7KR	(11r)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione
+C[C@@H]1CC(=O)Nc2ccc(c(c2)CN(C(=O)[C@@H](c3ccc(c1c3)OCC(F)F)Nc4ccc5c(c4)c(cnc5N)F)C)S(=O)(=O)C6CC6	7KS	(5r,11r)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione
+Cc1cc(c(c(c1)C)S(=O)(=O)NC)C	7KT	~{n},2,4,6-tetramethylbenzenesulfonamide
+CCC(=O)N1CCC[C@H](C1)Nc2c3cc[nH]c3ncn2	7KU	1-{(3r)-3-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
+CCC(=O)N1CC[C@H]2CCN([C@H]2C1)c3c4cc[nH]c4ncn3	7KV	1-[(3ar,7ar)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6h-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one
+c1ccc(cc1)c2c(c[nH]n2)c3ccnc(n3)Nc4ccccc4	7KW	n-phenyl-4-(5-phenyl-1h-pyrazol-4-yl)pyrimidin-2-amine
+CCC(=O)Nc1cccc(c1)c2c3cc[nH]c3ncn2	7KX	n-[3-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide
+COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(cc3)Br)Cl)O)O	7KY	methyl 2-(2-{1-[(4-bromophenyl)methyl]-1h-imidazol-2-yl}ethyl)-3-chloro-4,6-dihydroxybenzoate
+CCCCCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC	7KZ	n4-(1-methylpiperidin-4-yl)-n2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine
+CC(=O)Nc1nc2ccc(cn2n1)c3cc(cnc3)S(=O)(=O)C	7L0	n-[6-(5-methylsulfonylpyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamide
+CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O	7L1	s-{(3s,5r,9r)-1-[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate
+CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3c[n+](c4c3N=C(NC4=O)N)C)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6NC(=NC7=O)N)O)O)S)C	7L2	[[[(3~{a}~{r},4~{r},6~{r},6~{a}~{r})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CC(C)(C)c1ccc(cc1)S(=O)(=O)/N=C\2/N(N=C(S2)S(=O)(=O)N)C	7L3	(5z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide
+c1ccc(cc1)c2cc(c3ccccc3n2)O	7L4	2-phenylquinolin-4-ol
+Cc1c(c(n(n1)C)C)N(C(F)F)S(=O)(=O)c2c(cc(cc2Cl)CCCC3CCNCC3)Cl	7L5	2,6-dichloro-n-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC	7L6	6,7-dimethoxy-n-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine
+COC(=O)/C(=C\1/N(C(=O)CS1)c2ccccc2F)/C#N	7L7	methyl (2~{z})-2-cyano-2-[3-(2-fluorophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate
+CN1CCC[C@H]1COc2nc3c(cnc(c3F)c4cc(cc5c4cccc5)O)c(n2)N6C[C@H]7CC[C@@H](C6)N7	7L8	4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
+c1cc(cc(c1)C(=O)O)c2cc(ncc2C(=O)O)C(=O)O	7L9	4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid
+C[C@@H](C/C=C/c1cc(cnc1)Oc2ccccc2)NC	7LB	(e,2s)-n-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine
+CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C	7LD	(8alpha)-n,n-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide
+CC/C=C\C[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O	7LE	(5z,8z,11z,14r,15r,17z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid
+Cc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(cc4)F	7LF	1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium
+CCCCCCN([C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)F)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]3CCCCN3C	7LG	(2~{s},4~{r})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-3-[hexyl-[(2~{s},3~{s})-3-methyl-2-[[(2~{r})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid
+c1cc(c(cc1CCC(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O)O	7LH	(1r,3r,4s,5r)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid
+CC(C)Oc1cccc(c1[N@]2CCC[C@H](C2)N)/C=C\3/C(=O)NC(=O)S3	7LI	(5z)-5-{2-[(3r)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione
+Cn1c(cc2c1nccc2C#N)c3ccc(cc3)N4CCNCC4	7LK	1-methyl-2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile
+c1ccc2c(c1)ccc(c2/C=N\NC(=O)c3ccccc3O)O	7LL	2-hydroxy-n'-[(z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCc2ccccc2)O)O	7LM	n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide
+c1cc(cc(c1)NC(=N)c2cccs2)CO[C@@H](CN)COCc3cccc(c3)/N=C(\c4cccs4)/N	7LN	n,n''-{[(2s)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
+C[n+]1cn(c2c1c(nc(n2)N)O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)n5cnc6c5N=C(NC6=O)N)O)O)[SeH])O)OC	7LO	[[[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-selanyl-phosphoryl] [(2~{r},3~{s},4~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CCCCCCCC(=O)NC(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	7LP	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(6-phenylhexyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide
+C1C=C[C@H]([C@@H]([C@H]1CO)O)O	7LQ	(1~{r},2~{r},6~{r})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol
+CS(=O)(=O)N(CC(=O)N)c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N	7LR	n-(2-amino-1h-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-5-chlorophenyl]acetamide
+c1ccc2c(c1)C(=O)c3cc(ccc3N2)NC4=NC(=O)N(C=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	7LS	2-[[1-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{h}-acridin-9-one
+CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)CCc5ccccc5)Cl)Cc6ccc(cc6)Cl	7LT	(5~{r},13~{s},17~{s})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone
+c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)Cl)O)O)O	7LU	2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one
+CN1Cc2cnc3ccc(nc3c2N(C1=O)C4CCC(CC4)CN(C)C)c5cc(c(c(c5)Cl)O)Cl	7LV	9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3-methyl-3,4-dihydropyrimido[5,4-c][1,5]naphthyridin-2(1h)-one
+CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)Cl)Cl)Cc5ccc(cc5)S(=O)(=O)C	7LW	(5~{r},13~{s},17~{s})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone
+CCOc1ccc(cc1OC)[C@H](C(=O)O)Nc2ccc3cnccc3c2	7LX	(2~{r})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid
+c1ccc(cc1)COc2cc(ccc2C(=O)Nc3ccc4c(c3)CCNCC4)c5c[nH]nc5	7LY	2-(benzyloxy)-4-(1h-pyrazol-4-yl)-n-(2,3,4,5-tetrahydro-1h-3-benzazepin-7-yl)benzamide
+C[C@H]1CC[C@H]([C@@H]([C@@H](OC(=O)/C=C\C=C\[C@H]([C@H](C[C@@H](/C=C\[C@@H]([C@@H]([C@H](C1)C)O)C)O)O)C)[C@@H](C)/C=C\C=C)C)O	7LZ	(3~{z},5~{e},7~{r},8~{s},10~{s},11~{z},13~{s},14~{r},15~{s},17~{s},20~{r},21~{s},22~{s})-22-[(2~{s},3~{z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one
+c1c2c(cc(c1Br)Br)nn[nH]2	7M0	5,6-dibromobenzotriazole
+c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O	7M1	phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
+c1ccc-2c(c1)N[C@@H](c3n2ccc3)c4cccnc4	7M2	(4~{r})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline
+CN(C)Cc1cccc(c1)OCc2ccc3ccc(nc3c2)N	7M3	7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
+c1cc(ccc1C=CCCCC(=O)O)C2=C([C@@H]3C[C@@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O	7M4	6-{4-[(1s,4s,6s)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid
+c1ccc2c(c1)nc(c3n2ccc3)c4cccnc4	7M5	4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline
+c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF	7M6	7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
+c1cc(ccc1c2ccc(cc2c3ccc(cc3)O)S(=O)(=O)Oc4ccc(cc4)Br)O	7M7	4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
+Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5CCCO)C3=O)N(C(=O)N2C)C	7M8	6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
+c1ccc2c(c1)ccc(c2c3c4cccn4c5ccccc5n3)O	7M9	1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol
+CCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C	7MA	n-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-n-(pyridin-3-ylmethyl)ethanamide
+CN1C(=O)N[C@@H]2[C@]1(C[C@@H]3[C@H]2NC(=O)c4n3c(cc4)Br)O	7MB	agelastatin a
+CC(=O)N[C@@H](CC(=O)O)C(=O)N[P@@](=O)(OCCCN)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	7MC	5'-o-[(r)-[(n-acetyl-l-alpha-aspartyl)amino](3-aminopropoxy)phosphoryl]adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(NC(=O)[C@H](CC(=O)O)N)OCCCN)O)O)N	7MD	5'-o-[(r)-(3-aminopropoxy)(l-alpha-aspartylamino)phosphoryl]adenosine
+C[C@H]1CCc2c(nc(nc2N)N)C1	7ME	(7s)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
+c1ccc(cc1)c2ccc(c3c2CC([C@H](CC3)[NH3+])(O)O)Br	7MF	[(7~{s})-1-bromanyl-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	7MG	7n-methyl-8-hydroguanosine-5'-monophosphate
+CC1=CC(=S)N(C(=C1)C)O	7MH	1-hydroxy-4,6-dimethylpyridine-2(1h)-thione
+C[C@@]12CCC(=O)C([C@H]1C(=O)[C@H]([C@]3([C@H]2CC(=C)[C@@]4([C@@H]3C(=O)O[C@](C4=O)(C)C(=O)OC)C)C)O)(C)C	7MI	methyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene) -5,6a,9,10,10b,11-hexahydro-4ah-naphtho[1,2-h]isochromene-2-carboxylate
+CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3[nH]nc(n3)Cc4ccccc4	7MJ	3-benzyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1h-1,2,4-triazole-5-carboxamide
+c1ccc2c(c1)CC[C@@H](C(C2)(O)O)[NH3+]	7MK	[(7~{s})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
+c1ccc(cc1)c2cccc3c2CC([C@H](CC3)[NH3+])(O)O	7ML	[(7~{s})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
+COC(=O)N[C@H]1CCC[C@@H]1[C@](CN2CCC2)(c3cccc(c3)F)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)C7CN(C7)C(=O)CCCN8CCCCC8	7MM	methyl [(1s,2r)-2-{(1s)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate
+CC1=C(/C(=C\[NH+]=C(/C[N@@]2CCc3c2cccc3)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	7MN	(z)-n-[(1e)-1-carboxy-2-(2,3-dihydro-1h-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methanaminium
+Cc1ccc(cc1N2C=C3C=NC(=NC3=[N+](C2=O)C)N)NC(=O)c4cccc(c4)C(F)(F)F	7MP	7-amino-1-methyl-3-(2-methyl-5-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	7MQ	menaquinone-7 (altered)
+c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C[C@@](C(=O)NO)(C(F)(F)F)N	7MR	(2r)-2-amino-3,3,3-trifluoro-n-hydroxy-2-{[(4-phenoxyphenyl)sulfonyl]methyl}propanamide
+CC[C@H]([C@@H](C/C=C\C/C=C\CC=CC/C=C\CCCC(=O)O)O)O	7MS	(5z,8z,11z,14z,17r,18r)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid
+c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9	7MT	tb-xo4
+CNC(=O)c1cc(ccn1)Cl	7MU	4-chloranyl-~{n}-methyl-pyridine-2-carboxamide
+c1ccc(cc1)CNC(=O)c2ccc3c(c2)ccn3Cc4ccc(c(c4)F)Cl	7MV	n-benzyl-1-[(4-chloro-3-fluorophenyl)methyl]-1h-indole-5-carboxamide
+CCC(=O)c1cc([nH]c1)C(=O)OC	7MW	methyl 4-propanoyl-1~{h}-pyrrole-2-carboxylate
+CCOC(=O)C1=CN(C(=O)C=C1Cl)C	7MX	ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
+CC1(c2cnc(nc2N(C1=O)[C@H]3CCc4c3cccc4O)Nc5cccc(c5)CN6CCCC6)C	7MY	7-[(1s)-4-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6h-pyrrolo[2,3-d]pyrimidin-6-one
+CC(=O)c1cccc(c1)Oc2ncccn2	7MZ	1-(3-pyrimidin-2-yloxyphenyl)ethanone
+C1C[C@H](C(=O)C1)CC(=O)O	7N0	2-[(1~{s})-2-oxidanylidenecyclopentyl]ethanoic acid
+c1cc2c(cc1C#N)cc(cc2Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F)F	7N1	5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile
+c1ccc2c(c1)-n3cccc3[C@H](N2S(=O)(=O)c4cccc(c4)C(F)(F)F)c5cccnc5	7N2	(4~{r})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{h}-pyrrolo[1,2-a]quinoxaline
+c1ccc2c(c1)C(=O)NC(=N2)SCC(=O)Nc3c(ccs3)C(=O)N	7N3	2-[2-[(4-oxidanylidene-3~{h}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide
+B(c1ccc(c(c1)Cl)OCc2ccccc2F)O	7N4	{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid
+CCCCC(=O)C(=O)O	7N5	2-ketohexanoic acid
+CCCC[C@H](C(=O)O)O	7N6	(2r)-2-hydroxyhexanoic acid
+B(c1ccc2ccccc2c1)(O)O	7N7	naphthalen-2-ylboronic acid
+B(c1ccc(cc1)C[C@@H](C(=O)O)N)(O)O	7N8	4-borono-l-phenylalanine
+COc1ccc(cc1C[NH3+])Cl	7N9	(5-chloranyl-2-methoxy-phenyl)methylazanium
+Cc1cc(cc2c1ccc(c2C(=O)O)O)OC	7NA	2-hydroxy-7-methoxy-5-methyl naphthoic acid
+CCc1c(n2cc(cc(c2n1)C)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)c5nc(c(s5)C#N)c6ccc(cc6)F	7NB	2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
+CC1=CC(=O)NC(=N1)SCC(=O)c2cccc3c2cccc3	7NC	4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{h}-pyrimidin-6-one
+B(c1cc(cc(c1)Br)Oc2ccccc2)(O)O	7ND	(3-bromo-5-phenoxyphenyl)boronic acid
+CCOC(=O)c1nc(cs1)C(=O)O	7NF	2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid
+CCNc1c(cc2c(c(oc2n1)c3ccc(cc3)F)C(=O)NC)c4cccc(c4)C(=O)NC(C)(C)C	7NG	5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-n-methylfuro[2,3-b]pyridine-3-carboxamide
+c1cc(cc(c1)c2cccc(c2O)c3cc4cnccc4[nH]3)CNC(=O)N	7NH	[2'-hydroxy-3'-(1h-pyrrolo[3,2-c]pyridin-2-yl)-biphenyl-3-ylmethyl]-urea
+c1cc2cn[nH]c2c(c1)[N+](=O)[O-]	7NI	7-nitroindazole
+B(c1ccc(c(c1)Br)C)(O)O	7NJ	(3-bromo-4-methylphenyl)boronic acid
+c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)O	7NL	4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2r,4r,7as)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
+B(c1ccc(c(c1)OCc2ccccc2)C)O	7NM	[3-(benzyloxy)-4-methylphenyl]borinic acid
+C[C@H]1CCc2ccc(cc2C1=O)OC	7NP	(2s)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2h)-one
+CCC(=O)Nc1nc2ccccc2c(n1)OCC	7NQ	~{n}-(4-ethoxyquinazolin-2-yl)propanamide
+B(c1cc(cc(c1)Br)N2CCCC2)O	7NS	[3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
+CCC(=O)Nc1nc(c2ccsc2n1)N3CCOCC3	7NT	~{n}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide
+c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)[C@H]3CO3)O)O)O	7NU	phenyl 6,7-anhydro-d-glycero-beta-d-galacto-heptopyranoside
+CCCCNC(=O)[C@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3	7NV	5-[[[(1s)-2-(butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+Cc1nc(cs1)C(=O)O	7NW	2-methyl-1,3-thiazole-4-carboxylic acid
+C1CCC(CC1)COC(=O)O	7NX	cyclohexylmethyl hydrogen carbonate
+c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OC[C@]56CCCN5C[C@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)O	7NZ	4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2s,4s,7ar)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
+c1ccc(cc1)Cc2cccc(c2)c3cc(ccc3O)/C=C/C(=O)O	7O0	(~{e})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](CC(c2ccccc2)c3ccccc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)O	7O2	[(2~{s})-2-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4,4-diphenyl-butyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid
+c1cc2c(cc1NC(=O)CCl)ncnc2Nc3cc(ccc3Cl)O	7O3	2-chloranyl-~{n}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide
+c1cc(oc1)c2cc([nH]n2)C(=O)O	7O4	3-(furan-2-yl)-1h-pyrazole-5-carboxylic acid
+C([C@@H](C(=O)O)N)NC(=O)CS	7O5	(2~{s})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid
+Cc1cc2c(cc1C=O)[n+](c3c(n2)C(=O)NC(=O)N3)C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O	7O6	[(2~{s},3~{r},4~{r})-5-[8-methanoyl-7-methyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	7O7	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1cc(ccc1CSc2ccc(s2)S(=O)(=O)N)Cl	7O8	5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide
+c1cc(cc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O	7O9	(2~{s},3~{s})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	7OA	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
+c1cc(cc(c1)C(F)(F)F)C2=C([N+](=C3C=CC=CN3C2=O)Cc4cncnc4)[O-]	7OB	4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate
+CCCCCCC/C=C/CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC/C=C/CCCCCCC	7OC	[3-[(~{e})-octadec-10-enoyl]oxy-2-oxidanyl-propyl] (~{e})-octadec-10-enoate
+CC[C@H](C/C=C(\C)/C(=O)O)O	7OD	(2e,5r)-5-hydroxy-2-methylhept-2-enoic acid
+C#Cc1c(ccc2c1c(ccc2)c3c(c4c(cn3)c(nc(n4)OCC56CCCN5CCC6)N7C[C@H]8CC[C@@H](C7)N8)F)F	7OE	4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidine
+c1cc(ncc1CN\2C=CC=C/C2=N\C(=O)C(F)(F)F)Cl	7OF	(~{n}~{e})-~{n}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide
+Cc1cc(n2c(n1)ncn2)[C@H]3CCCN(C3)C(=O)c4ccc5ccccc5c4	7OG	[(3s)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone
+c1ccc(cc1)COc2ccc(cc2)N(CC(F)(F)F)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O	7OI	(1s,2r,4s)-n-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F	7OJ	(3-bromo-4-fluorophenyl)[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
+C\1=CN(C(=O)N/C1=N/O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	7OK	n-hydroxycytidine 5'-(dihydrogen phosphate) tautomer
+c1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	7OL	(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol
+Cc1cc(n2c(n1)ncn2)N3CCC[C@H](C3)C(=O)Nc4ccc5ccccc5c4	7OM	(3~{r})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{n}-naphthalen-2-yl-piperidine-3-carboxamide
+CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](Cc1cc(cc(c1)c2ccccc2)c3ccccc3)CP(=O)([C@H](CCc4ccccc4)N)O	7OO	[(2~{s})-3-[[(2~{s})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(cc4)F)(F)F	7OP	[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone
+c1cc(ccc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	7OQ	(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-oxidanylphenoxy)oxane-3,4,5-triol
+COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCc5ccccc5)c6ccc(cc6)O	7OR	(1s,2r,4s)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+C[C@@H](c1cc(ccc1OC(F)(F)F)F)N2CCC(CC2)[C@H]3CCc4ccc(cc4O3)[C@H](C5CC5)[C@H](C)C(=O)O	7OS	(2s,3r)-3-cyclopropyl-3-[(2r)-2-(1-{(1s)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2h-1-benzopyran-7-yl]-2-methylpropanoic acid
+CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)/C)/C)/C)C	7OT	spheroidene
+c1c2c(cc(c1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)C=C2	7OU	6-[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)I)F)(F)F	7OV	[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)C(=O)[C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)OC(=O)/C=C/C=C/C=CC=CC(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C	7OX	7-oxo-simocyclinone d8
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Cl)F)(F)F	7OY	(3-chloro-4-fluorophenyl)[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
+C(CF)[C@@H](C(=O)O)N	7OZ	(s)-2-amino-4-fluorobutanoic acid
+c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O	7P0	n-[(1s)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCP(=O)(O)O	7P1	2-[(2-carboxyphenyl)amino]-5-(3-phosphonopropoxy)benzoic acid
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCP(=O)(O)O	7P2	2-[(2-carboxyphenyl)amino]-5-(4-phosphonobutoxy)benzoic acid
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCCP(=O)(O)O	7P3	2-[(2-carboxyphenyl)amino]-5-[(5-phosphonopentyl)oxy]benzoic acid
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)F)F)(F)F	7P4	[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](3,4-difluorophenyl)methanone
+[H]/N=C(/c1cc2c(s1)C(=CN(C2=O)C)c3ccc(c(c3)OC)OCC(=O)NCCCCCCOc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)\NC7CCS(=O)(=O)CC7	7P7	n-[6-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[n-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide
+CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)O	7P9	[(2r)-2-heptanoyloxy-3-phosphonooxy-propyl] nonanoate
+C(CP(=O)(O)O)CP(=O)(O)O	7PA	propane-1,3-diylbis(phosphonic acid)
+c1ccnc(c1)c2ccc(c(c2)O)Oc3ccc(cc3Cl)CN	7PC	2-[4-(aminomethyl)-2-chlorophenoxy]-5-pyridin-2-ylphenol
+C1=NC2=C(NC1=O)N=C(NC2=O)N	7PD	2-aminopteridine-4,7(3h,8h)-dione
+CCOCCOCCOCCOCCOCCOCCO	7PE	2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethanol
+CC1(C[C@H]2C=C([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C	7PF	pentalenolactone f
+COCCOCCOCCOCCOCCOCCOCCOCCO	7PG	2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol
+CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O	7PH	(1r)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate
+C(C(=O)O)Sc1[nH]c2c(n1)C(=O)NC(=N2)N	7PJ	[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]acetic acid
+c1ccc(cc1)[C@H](C(=O)O)Sc2[nH]c3c(n2)C(=O)NC(=N3)N	7PM	(2r)-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl](phenyl)acetic acid
+Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)C#CCC(C)(C)O	7PP	5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol
+c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CN	7PQ	4-[2-(aminomethyl)naphthalen-1-yl]-n-[2-(morpholin-4-yl)ethyl]benzamide
+CC(=O)O[Pr](OC(=O)C)OC(=O)C	7PR	praseodymium triacetate
+CNC(=O)CSc1[nH]c2c(n1)C(=O)NC(=N2)N	7PS	2-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]-n-methylacetamide
+C[C@H]1[C@H]2C=C([C@H]3[C@]2(C=C1C)[C@@]4(CO4)C(=O)OC3)C(=O)O	7PT	pentalenolactone
+c1cc(ccc1CCSc2[nH]c3c(n2)C(=O)NC(=N3)N)S(=O)(=O)N	7PV	4-{2-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5c(cc(cc5F)c6ccc(cc6)F)F	7PW	n-[(1r)-2-(1h-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
+COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4ccccn4	7PY	7-pyridin-2-yl-n-(3,4,5-trimethoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+c1ccc(cc1)[C@@H]2C(=O)NC(=O)O2	7Q1	(5r)-5-phenyl-1,3-oxazolidine-2,4-dione
+COC(=O)/C=C\c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	7Q5	methyl 3-(4-{[(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate
+COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4cccc5c4cc[nH]5	7Q7	2-(1h-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1h-imidazo[4,5-c]pyridine
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC	7Q9	[(2~{r})-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] (~{z})-octadec-9-enoate
+C[C@H](C(=O)O)NC(=O)[C@H](CCC[C@H](C(=O)O)N)NC(=O)O	7QA	(2r,6s)-2-amino-6-(carboxyamino)-7-{[(1r)-1-carboxyethyl]amino}-7-oxoheptanoic acid
+Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CN4CCN(CC4)c5ccc(c(c5)OC)Nc6cc(c(cn6)C(F)(F)F)Nc7ccccc7C(=O)NC)O	7QB	(2s,4r)-4-hydroxy-1-((s)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-n-((s)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
+C(C(=O)C(=O)O)[C@](CC(=O)O)(C(=O)O)O	7QD	(2s)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
+C(=N/O)(\C(=O)O)/C(F)(F)F	7QE	(2z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid
+C(=NNC(=O)N)(C(=O)O)C(F)(F)F	7QH	(2e)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid
+CN[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)CO)O	7QM	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-d-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside
+Cc1c(ccc2c1CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C)O	7QN	(e)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1h-isoquinolin-1-yl)phenyl]prop-2-enoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H]2C[C@@H](CC[C@H]2C)C(=O)O)O	7QP	(1r,3s,4r)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid
+CC(=O)Nc1nc2cc(ccc2s1)OC	7QQ	n-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide
+c1ccc(cc1)[C@@H]2C(=O)NC(=O)S2	7QS	(5r)-5-phenyl-1,3-thiazolidine-2,4-dione
+CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5ccc(c(c5)N)Cl	7QU	1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one
+COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=O)O2	7QV	(5r)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione
+COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=O)S2	7QY	(5r)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
+c1cc(ccc1/C=C/2\C(=O)N(C(=N2)[C@H](Cc3c[nH]cn3)N)CC(=O)O)O	7R0	2-[(4e)-2-[(1s)-1-azanyl-2-(1h-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=S)S2	7R1	(5r)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
+[H]/N=C(\c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC	7R2	n-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide
+c1cc(ccc1Cc2cc(ccc2Cl)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4CCOC4	7R3	(2s,3r,4r,5s,6r)-2-[4-chloranyl-3-[[4-[(3s)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
+c1ccc(cc1)C[C@@H]2C(=O)NC(=S)S2	7R4	(5r)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
+c1cc(ccc1/C=C/2\C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O	7R6	2-[(4e)-4-[(4-hydroxyphenyl)methylidene]-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=S)O2	7R7	(5r)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one
+CN(C)[C@H]1CCN(C1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cccc(c3OC(F)F)N4CCCCC4=O	7R9	5-chloro-thiophene-2-carboxylic acid [(s)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((s)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide
+c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)N	7RA	7-alpha-d-ribofuranosyl-2-aminopurine-5'-phosphate
+C1CN(C[C@@H](N1)C(=O)O)CCCP(=O)(O)O	7RC	(2r)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid
+C/C(=C\[C@@]1(C(=C(C(=O)S1)CCCCN=[N+]=[N-])O)C)/C=C	7RD	(r,e)-3-(4-azidobutyl)-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dien-1-yl)thiophen-2(5h)-one
+CC1=NC(=O)CC=C1	7RE	6-methyl-3h-pyridin-2-one
+C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C4CCOCC4)C(=O)N2)Cc5ncccn5	7RG	6-[(3s,4s)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2h-pyran-4-yl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CNC(=O)c1c2cc(ccc2[nH]n1)Br	7RI	5-bromanyl-n-methyl-1h-indazole-3-carboxamide
+CC(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	7RM	5'-o-(acetylsulfamoyl)adenosine
+Cc1ccc(s1)c2cc(n[nH]2)C(=O)NC	7RN	n-methyl-3-(5-methylthiophen-2-yl)-1h-pyrazole-5-carboxamide
+CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)C(=O)N(C)C	7RO	tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate
+c1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	7RP	7-alpha-d-ribofuranosyl-purine-5'-phosphate
+Cc1ccc(cc1NC(=O)CNc2ccc(c(c2)F)F)CN3CCNCC3	7RS	n~2~-(3,4-difluorophenyl)-n-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide
+CNC(=O)c1cccc2c1cc[nH]2	7RT	n-methyl-1h-indole-4-carboxamide
+CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl	7RU	3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea
+c1ccc(cc1)N2CCN(CC2)C3(CCOCC3)CNC(=O)c4cccnc4Sc5ccccc5	7RV	n-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide
+C1C[C@@H](NC1)CC(=O)O	7RX	(r)-homoproline
+c1cc2c(ccc(n2)NCCNCCO)c(c1)NC(=O)CC34CC5CC(C3)CC(C5)C4	7RY	n-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide
+C[C@H](c1ccccc1)N/C(=N/c2cccc3c2cccn3)/NC#N	7S1	n-cyano-n'-[(1r)-1-phenylethyl]-n''-quinolin-5-ylguanidine
+CC(C)(C)[C@@H](NC(=O)Cc1ccc(c(c1)OC)OC)N/C(=N\C#N)/Nc2cccc3c2cccn3	7S4	n-{(1r)-1-[n''-cyano-n'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide
+Cc1cc(nc(c1)N)CCc2cccc(n2)[C@H](Cc3cc(cc(n3)N)C)CN	7S7	6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)propyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCN(C)C	7S9	6-[2-[5-[2-(dimethylamino)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H]([C@H](C=C3CO)N[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O)CO)CO)C)O)O)CO)O)O)N[C@H]7C=C([C@H]([C@@H]([C@H]7O)O)O)CO	7SA	acarbose derived heptasaccharide
+c1cc(oc1)c2[nH]nc(n2)NCc3ccc(cc3)Cl	7SB	n-(4-chlorobenzyl)-5-(furan-2-yl)-1h-1,2,4-triazol-3-amine
+Cc1cc(nc(c1CNC(=O)c2cnn(c2)Cc3ccc(cc3)Cn4cccn4)C)N	7SD	n-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1h-pyrazol-1-yl)methyl]phenyl}methyl)-1h-pyrazole-4-carboxamide
+c1ccc2c(c1)nn(n2)[C@H]3CCC(=O)NC3=O	7SE	(3s)-3-(benzotriazol-2-yl)piperidine-2,6-dione
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O	7SG	(2r,3r,4s,5r,6r)-3,5-dihydroxy-4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+c1cc(c2c(c1O)[C@@H]3CC[C@H]2C3)O	7SI	(1r,4s)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol
+CC(C)n1c(ccn1)c2c(cccn2)COc3cnc(cc3C=O)OC	7SJ	2-methoxy-5-({2-[1-(propan-2-yl)-1h-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde
+CC(C)(C)O[C@@H](c1c(c2ccccc2n1C)c3ccc4c(c3)CCCO4)C(=O)O	7SK	(2s)-tert-butoxy[3-(3,4-dihydro-2h-1-benzopyran-6-yl)-1-methyl-1h-indol-2-yl]acetic acid
+CNC(=O)c1cc([nH]n1)c2ccco2	7SL	5-(furan-2-yl)-n-methyl-1h-pyrazole-3-carboxamide
+COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4	7SM	6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
+c1ccc(cc1)[C@H](C(=O)N/N=C/c2ccc(c3c2cccc3)O)N	7SP	(2r)-2-amino-n'-[(e)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylethanehydrazide
+COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4	7SS	6-(2-{[cyclopropyl(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F)OCCCCCC(=O)O	7SV	6-(2-{[cyclopropyl(2'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
+C[C@H](CCC(=O)NCCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C	7SW	3-((r)-4-((3r,5r,8r,9s,10s,13r,14s,17r)-3-(2-hydroxy-2-methylpropyl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanamido)propanoic acid
+Cc1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C	7SX	[(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccc(c4)F)OCCCCCC(=O)O	7SY	6-(2-{[cyclopropyl(3'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
+Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C	7T1	{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid
+c1ccc2c(c1)CN(C2)C(=O)Nc3ccc(cc3)C(=O)NC[C@@H]4CCOC4	7T7	n-[4-({[(3s)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2h-isoindole-2-carboxamide
+CC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)c5cccnc5)O)C)OC(=O)C)C)OC(=O)C)C	7T8	 (3s,4r,4ar,6s,6as,12r,12as,12bs)-4-[(acetyloxy)methyl]-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2h,11h-naphtho[2,1-b]pyrano[3,4-e]pyran-3,6-diyl diacetate
+CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(nc3)F	7T9	n-[(2s)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
+CC(C)C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccncc4c3	7TA	n-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2h-pyrrolo[3,4-c]pyridine-2-carboxamide
+CC#CCOc1ccc(cc1)C(=O)N[C@H](C(=O)NO)C(C)(C)N	7TD	n-[(2s)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide
+Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)(F)F)C(=O)c4ccc(cc4O)O)Cl	7TJ	n-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-n-(4-{[(trifluoroacetyl)amino]methyl}benzyl)benzamide
+COC(=O)C1=C(NC(=N[C@H]1c2ccc(cc2Cl)F)c3nccs3)CN4CC(C[C@H]4C(=O)O)(F)F	7TL	(2s)-1-[[(4r)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid
+CCCCCCNC(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C	7TM	4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate
+Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OS(=O)(=O)C(F)(F)F	7TO	4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate
+Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)O	7TP	5-{(3r)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde
+Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OC(=O)NCc6ccccc6	7TQ	4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate
+CCN(CC)C(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C	7TR	4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CONC2=O)O	7TS	(5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate
+c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O	7TV	6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+CC(C)CCN1CC[C@H](C1)NC(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	7TX	5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-n-[(3r)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide
+c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O	7TY	6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+c1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4	7U1	6-(2-{[([1,1'-biphenyl]-4-carbonyl)(cyclopropyl)amino]methyl}phenoxy)hexanoic acid
+Cc1c2c(nc(n1)NCC3CC3)[C@]4(CCN(C4)Cc5ccccc5F)COC2	7U2	(3'r)-n-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5h,7h-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine
+c1cc2c(cc1F)C(=O)NN=C2OC[C@@H]3CCNC3	7U3	7-fluoranyl-4-[[(3r)-pyrrolidin-3-yl]methoxy]-2h-phthalazin-1-one
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4)OCCCCCC(=O)O	7U4	6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+c1cc(c2c(c1)[nH]c(n2)C(=O)N3CCNCC3)C(=O)N	7U6	2-piperazin-1-ylcarbonyl-1h-benzimidazole-4-carboxamide
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O	7U7	6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+COC(=O)c1c(c(c[nH]1)c2c[nH]c3c2cc(c(c3)Cl)Cl)c4c[nH]c5c4cc(cc5)Cl	7U8	methyl 4-[5,6-bis(chloranyl)-1h-indol-3-yl]-3-(5-chloranyl-1h-indol-3-yl)-1h-pyrrole-2-carboxylate
+c1cc(c2c(c1)[nH]c(n2)C(=O)N3CC[C@H](C3)N)C(=O)N	7U9	2-[(3r)-3-azanylpyrrolidin-1-yl]carbonyl-1h-benzimidazole-4-carboxamide
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O	7UA	6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+COc1ccc(cc1)N2Cc3cnc(nc3[C@@]4(C2=O)CCN(C4)Cc5ccn[nH]5)NCC6CC6	7UB	(3'r)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1h-pyrazol-5-yl)methyl]-5,6-dihydro-7h-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one
+C[C@H](CC(=O)O)NCC(=O)O	7UC	(3~{r})-3-(2-hydroxy-2-oxoethylamino)butanoic acid
+c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccoc4	7UD	6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccsc4	7UG	6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+COc1ccc(cc1)N2C=C3C=NC(=NC3=C(C2=O)c4ccc(cc4)Br)NCC(F)(F)F	7UI	8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol
+CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccccc3	7UJ	6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid
+C1[C@H](CNC1=O)O	7UK	(r)-4-hydroxy-2-pyrrolidone
+c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N4CCN(CC4)CC(F)(F)F)F	7UL	1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione
+Cn1cc2cc(ccc2n1)N3C=C4C=NC(=NC4=C(C3=O)c5ccc(cc5)Cl)NCC(F)(F)F	7UN	(8r)-8-(4-chlorophenyl)-6-(2-methyl-2h-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6h)-one
+[H]/N=C(/c1ccc2cc(ccc2c1)C#Cc3ccc4c(c3)CCNC4)\N	7UP	6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide
+C[C@H](c1ccc(c2c1cccc2)F)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N	7UR	4-[4-cyano-2-[[(2r)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid
+Cc1c(c2c3c4c1O[C@@](C4=O)(OCC[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](CCC[C@H](C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CCn7c(ncc7[N+](=O)[O-])C)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O	7US	(3am,9s,10bp,14s,15r,16s,17r,18r,19r,20s,21s,25r)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate
+CN(CCCNC1=CC(=O)Oc2c1cccc2)C(=O)c3cccs3	7UU	~{n}-methyl-~{n}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
+B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)B(O)O)O	7UV	(3-{(e)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid
+CN1CCC(CC1)C(=O)Nc2ncc(s2)c3ccccc3	7UX	1-methyl-n-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
+CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccsc3	7UY	6-[2-({(propan-2-yl)[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+C1CCC(CC1)CC(C(=O)O)C(=O)O	7UZ	2-(cyclohexylmethyl)propanedioic acid
+CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccco3	7V1	6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid
+c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N	7V3	(s)-(4-chlorophenyl)-phenyl-methanamine
+CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccoc3	7V4	6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid
+C[NH+](C)CCCNc1c2ccccc2[nH+]c3c1[nH]c4c3cccc4	7V5	~{n}-(5~{h}-indolo[3,2-b]quinolin-11-yl)-~{n}',~{n}'-dimethyl-propane-1,3-diamine
+Bc1ccc(cc1)[C@@H](CCc2ccc(c(c2)C(=O)O)O)O	7V6	5-[(3r)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid
+CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3	7V7	n-phenyl-n-[1-(2-phenylethyl)piperidin-4-yl]propanamide
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)c1cccnc1)O	7V9	~{s}-[2-[3-[[(2~{s})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate
+Cn1c2cc(ccc2nc1COc3ccc(cc3)CC4C(=O)NC(=O)S4)OC	7VA	(5s)-5-({4-[(6-methoxy-1-methyl-1h-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
+Cc1cc(ccc1O)c2ccnc3c2ccc(c3)OC	7VC	4-(7-methoxyquinolin-4-yl)-2-methyl-phenol
+CC(=O)CP(=O)(O)O	7VD	(2-oxopropyl)phosphonic acid
+Cc1cc(ccc1O)c2ccnc3c2ccc(c3)O	7VF	4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol
+B(c1ccc(c(c1)Cl)/C=C/c2cc(cc(c2)O)O)(O)O	7VG	{3-chloro-4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid
+CNC1=C(C(=O)NC(=N1)N)N=O	7VJ	2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3h)-one
+Cc1cc(ccc1O)c2ccnc3c2ccc(c3)Cl	7VL	4-(7-chloranylquinolin-4-yl)-2-methyl-phenol
+CNCCN1CCC(CC1)c2cc(ccn2)CN(C)C(=O)c3cccc(c3)Oc4ccccc4	7VM	n-methyl-n-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide
+CC[C@H](C)[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	7VO	(2s,3s)-3-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid
+Cc1c[nH]c(n1)c2ccccc2	7VP	4-methyl-2-phenyl-1h-imidazole
+CCO/N=C/c1ccc(cc1)OCCCCCN2CCN(C2=O)c3ccncc3	7VR	4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde o-ethyl oxime
+c1ccc2c(c1)/C(=N/N)/C=CN2	7VS	(4e)-4-hydrazinylidene-1,4-dihydroquinoline
+Cc1cc(ccn1)NS(=O)(=O)c2cc(cnc2OC)C3=CCOCC3	7VT	5-[3,6-dihydro-2h-pyran-4-yl]-2-methoxy-n-[2-methylpyridin-4-yl]pyridine-3-sulfonamide
+CC(C)c1c2n(c(n1)N)C[C@@H](CC2)Cc3cc(ccc3F)OC	7VV	(6s)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
+C[C@@H]1[C@@H]2CC[C@]3([C@@H]([C@@]2(CCC1=O)C)CC=C4[C@]3(CC[C@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C	7VX	(4ar,6ar,6as,6bs,8as,9r,12ar,14br)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
+COc1cccc(c1)C[C@H]2CCCNC2	7VY	(3r)-3-[(3-methoxyphenyl)methyl]piperidine
+COC(=O)c1cc(c(cc1Cl)SC2CCCCC2)S(=O)(=O)N	7VZ	methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
+Cc1c(c2c(n1Cc3ccccc3c4ccccc4)cccc2OCC(=O)O)C(=O)C(=O)N	7W0	2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid
+Cc1cnc2ccccc2c1N	7W1	3-methylquinolin-4-amine
+Cc1c(c2c(n1Cc3ccccc3C(F)(F)F)cccc2OCC(=O)O)C(=O)C(=O)N	7W3	2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid
+Cc1c(n2ccccc2n1)N	7W4	2-methylimidazo[1,2-a]pyridin-3-amine
+Cc1c(c2c(n1Cc3cccc(c3)Br)cccc2OCC(=O)O)C(=O)C(=O)N	7W6	2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid
+[H]/N=C(/N)\N1CCC[C@@H](C1)Cc2cccc3c2OCO3	7W7	(3r)-3-[(2h-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide
+Cc1c(c2c(n1Cc3cccc4c3cccc4)cccc2OCC(=O)O)C(=O)C(=O)N	7W9	2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid
+c1cc(c2c(c1)[nH]cn2)N	7WA	1h-benzimidazol-4-amine
+c1ccc2c(c1)/C(=C/3\NC=CS3)/C=N2	7WB	(2z)-2-indol-3-ylidene-3h-1,3-thiazole
+c1cc(c2c(c1)OCO2)C[C@@H]3CCc4cnc(n4C3)N	7WD	(6s)-6-[(2h-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
+C1CN(CCN1C[C@H](CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O	7WF	2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid
+c1c([nH]c(n1)N)C2CC2	7WG	5-cyclopropyl-1h-imidazol-2-amine
+COCC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O	7WH	2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
+COCCNC(=O)Nc1cccc(c1)Cl	7WI	1-(3-chlorophenyl)-3-(2-methoxyethyl)urea
+c1ccnc(c1)c2cc(cc(n2)c3ccccn3)C(=O)NCC[C@@H](C(=O)O)N	7WJ	(2s)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid
+CCOc1ccc(cc1CSc2ccsc2C(=O)NS(=O)(=O)c3ccccc3)C(F)(F)F	7WL	3-{[2-ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-n-(phenylsulfonyl)thiophene-2-carboxamide
+c1ccc2c(c1)ccc(c2C=O)O	7WO	2-hydroxynaphthalene-1-carbaldehyde
+c1c(nc2c(nc(nc2n1)N)N)C=O	7WP	2,4-diaminopteridine-6-carbaldehyde
+COc1ccc(c(c1)C=O)O	7WQ	2-hydroxy-5-methoxybenzaldehyde
+COc1cc(cc(c1O)O)C(=O)O	7WR	3-methoxy-4,5-bis(oxidanyl)benzoic acid
+CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@@H]4[C@@]1(C(=O)[C@@](OC4=O)(C)C(=O)OC)C)C)O)(C)C)C	7WU	methyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-2,4b,7,7,10a,12,12a-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4a,5,6a,9,10,10b-hexahydronaphtho[1,2-h]isochromene-2-carboxylate
+c1ccc(c(c1)C(=O)O)Br	7WV	2-bromobenzoic acid
+CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@]4([C@@]1(C(=O)[C@](C4=O)(C)O)C)C(=O)OC)C)O)(C)C)C	7WX	methyl (5s,7s,8s,9s,10s,13r,14r,16s)-4,4,8,10,12,13,16-heptamethyl-7,16-bis(oxidanyl)-3,6,15,17-tetrakis(oxidanylidene)-2,5,7,9-tetrahydro-1h-cyclopenta[a]phenanthrene-14-carboxylate
+Cc1c-2n(nn1)CCN(c3c2ccc(c3)c4ccc(nc4)N)c5ccc(cc5)Cl	7WY	5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5h-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine
+CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@H]([C@]1(C)C(=O)[C@@](C)(C(=O)OC)O)C(=O)O)C)O)(C)C)C	7X0	(1r,2s,4as,4bs,8as,10s,10as)-2-[(2s)-3-methoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl]-2,3,4b,8,8,10a-hexamethyl-10-oxidanyl-7,9-bis(oxidanylidene)-1,4a,5,6,8a,10-hexahydrophenanthrene-1-carboxylic acid
+COc1cc2c(cc1OCCCN3CCCCC3)ncnc2Nc4c(ccc5c4OCO5)Cl	7X1	n-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
+COc1cc(cc(c1OC)OC)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl	7X2	n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3,4,5- trimethoxyphenyl)pyrimidine-2,4-diamine
+COc1ccc(cc1Cl)Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC	7X3	n'-(3-chloro-4-methoxy-phenyl)-n-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
+c1cc(cc(c1)S(=O)(=O)N)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl	7X4	3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide
+CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl	7X5	n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
+CS(=O)(=O)Nc1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl	7X6	n-[3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
+c1cc(cc(c1)N2CCOCC2)Nc3nccc(n3)Nc4c(ccc5c4OCO5)Cl	7X7	n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
+c1cc(cc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl)C(=O)N	7X8	3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
+C(CCCN)CCC(=O)NO	7XA	7-amino-n-hydroxyheptanamide
+Cc1cc(ccc1NC2=NC(=O)N(C(=O)N2Cc3cc(c(c(c3)F)F)F)CC(=O)NC)OC(F)F	7XB	2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-n-methyl-ethanamide
+[H]/N=C(\N)/Nc1ccc(cc1)C[C@H](C(=O)O)N	7XC	(2r)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid
+c1ccc(cc1)NC(=O)NCc2cccc(c2)c3cccc(c3O)c4cc5cnccc5[nH]4	7XD	1-[[3-[2-oxidanyl-3-(1~{h}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCS)C(=O)O)O	7XF	(2~{s})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid
+Cc1cccc(c1CN2C[C@@H]([C@H](C2)N(C)C)c3ccc(cc3)c4cnn(c4)CC(=O)N)F	7XG	2-[4-(4-{(3s,4r)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1h-pyrazol-1-yl]acetamide
+CC(C)N1CCN(CC1)Cc2ccc(c(c2)F)c3cc(ccn3)NS(=O)(=O)c4cc(cnc4OC)N5CCOCC5	7XH	~{n}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide
+c1ccc(cc1)CNC(=O)Nc2ccc3c(c2)ccnc3N	7XJ	1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(CCO)O)O)O	7XL	[[(2r,3s,4r,5r)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-(2-hydroxyethyl)phosphinic acid
+c1cc2c(ccnc2N)cc1N	7XM	isoquinoline-1,6-diamine
+CC(C)N1CCN(CC1)CC#Cc2cc(cnc2)NS(=O)(=O)c3cc(cnc3OC)C4=CCOCC4	7XN	5-(3,6-dihydro-2~{h}-pyran-4-yl)-2-methoxy-~{n}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide
+CC(C)n1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)nc1Nc5ccccc5	7XO	n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-9-propan-2-yl-purine-2,8-diamine
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N	7XP	(1r,2s,3s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-d-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	7XR	9-cyclopentyl-n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-purine-2,8-diamine
+CC(C)Cc1c2c(ncnc2N3CC(C3)Oc4ccc(cc4)OC)n(n1)C	7XS	4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)-1h-pyrazolo[3,4-d]pyrimidine
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCCC6	7XU	9-cyclohexyl-n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-purine-2,8-diamine
+CC(C)Cc1nnc2n1c(cnc2)OCCc3ccccc3OC	7XV	5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine
+COc1c(cc(cn1)C2=CCOCC2)NS(=O)(=O)c3ccccc3	7XW	n-[5-(3,6-dihydro-2h-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide
+Cn1cc(cc1C(=O)N)C(=O)c2cccc(c2Cl)Cl	7XX	4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide
+c1ccc(cc1)C(CCNS(=O)(=O)c2ccc(s2)CN(Cc3cccc(c3)Cl)C(=O)C(=O)O)c4ccccc4	7XY	{(3-chlorobenzyl)[(5-{[(3,3-diphenylpropyl)amino]sulfonyl}-2-thienyl)methyl]amino}(oxo)acetic acid
+Cn1cc(cc1C(=O)NCCNC(=O)c2cc(cn2C)C(=O)c3cccc(c3Cl)Cl)C(=O)c4cccc(c4Cl)Cl	7Y0	4-[2,3-bis(chloranyl)phenyl]carbonyl-n-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide
+CCCOc1cncc2n1c(nn2)c3cnn(c3c4ccc(cc4)CC)C	7Y1	3-[5-(4-ethylphenyl)-1-methyl-1h-pyrazol-4-yl]-5-propoxy[1,2,4]triazolo[4,3-a]pyrazine
+c1cnn(c1)S(=O)(=O)c2ccc(s2)Br	7Y3	1-(5-bromanylthiophen-2-yl)sulfonylpyrazole
+CCc1ccc(cc1)c2c(cnn2C)c3c4c(ncnc4N5CC[C@H](C5)N(C)C)n(n3)C	7Y4	(3r)-1-{3-[5-(4-ethylphenyl)-1-methyl-1h-pyrazol-4-yl]-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl}-n,n-dimethylpyrrolidin-3-amine
+[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccc(cc2OC3CCNCC3)Cl	7Y6	4-chloranyl-n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)C(=O)NC=N5)O	7Y7	5-hydroxy-n-(4-oxo-3h-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide
+[H]/N=C(\c1ccc(cc1)OCc2cccc(c2)COc3ccc(cc3)C(C)(C)c4ccc(cc4)O)/N	7Y9	4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide
+C[C@@H](C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O	7YA	(2s)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide
+c1c(cc(c(c1[N+](=O)[O-])O)O)/C=C(\C#N)/C(=O)N2CCCOC2	7YC	(e)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile
+[H]/N=C(/N)\NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@H]1C=CC(=O)N1	7YF	(2r)-n-[2-[[(2s)-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide
+CN(C)CCNS(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3cccnc3)N	7YG	3-amino-6-(4-{[2-(dimethylamino)ethyl]sulfamoyl}phenyl)-n-pyridin-3-ylpyrazine-2-carboxamide
+CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)c1cc(cc(c1)I)Br	7YH	2-[[(2r)-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
+CC(C)[C@H](C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O	7YJ	(2r)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide
+C1=CC(=O)N[C@H]1C(=O)O	7YL	(2r)-5-oxidanylidene-1,2-dihydropyrrole-2-carboxylic acid
+Cc1c(c(on1)C)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)[nH]c(n5)N)O	7YM	n-(2-amino-1h-benzimidazol-5-yl)-1-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]phenyl]-5-hydroxypyrazole-4-carboxamide
+CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CC=C4)CCC3)O	7YN	1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea
+C1CC(=O)N[C@H]1C(=O)O	7YO	(2r)-5-oxidanylidenepyrrolidine-2-carboxylic acid
+CO[C@@H](c1ccc(cc1)O)C(=O)NCc2ccc(cc2OCC(=O)N)CN	7YP	(2~{s})-~{n}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanami de
+[H]/N=C(\N)/NCCC[C@@H](C(=O)Nc1ccc(cc1)N(O)O)NC(=O)CNC(=O)[C@H]2CCC(=O)N2	7YR	(2r)-n-[2-[[(2s)-1-[[4-[bis(oxidanyl)amino]phenyl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide
+Cc1c-2c(n(n1)CCO)CN(C(=O)c3ccc(c(c3[C@H](Oc4c(ncc2n4)N)C)Cl)F)C	7YS	(10r)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1h-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one
+COc1cc2c(cc1O)cc([nH]2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c6c5cc([nH]6)C(=O)N7CCc8c7c(c(c9c8cc([nH]9)C(=O)SC)OC)O	7YU	(+)-yatakemycin
+Cc1cc(c(c(c1)C)NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C	7YV	(1s,2s,4r)-n-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid
+Cn1cc2cc(c(cc2n1)Cl)NC3=NC(=O)N(C(=O)N3Cc4cc(c(cc4F)F)F)Cc5ncn(n5)C	7YY	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
+COc1c2cc(cnc2[nH]n1)C#Cc3c(ccc(c3F)NS(=O)(=O)c4cccc(c4)Br)F	7Z0	n-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1h-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide
+CCOc1ccc(c(c1)[C@H](C(=O)N2CCC[C@@H]2c3ccccc3)Nc4ccc5c(c4)ccnc5N)F	7Z1	(2~{r})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{r})-2-phenylpyrrolidin-1-yl]ethanone
+c1cc(cc(c1)N2CCCC2)CN	7Z3	1-(3-pyrrolidin-1-ylphenyl)methanamine
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)C(=O)N=C5)O	7Z4	5-hydroxy-n-(1-oxo-1h-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1h-pyrazole-4-carboxamide
+CCC(=O)Nc1ccc(cc1C(=O)O)N(C)Cc2cccnc2	7Z5	5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid
+c1cc(cnc1)CNc2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl	7Z6	5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one
+c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)[C@H](CO)O	7Z7	(2s)-2,3-dihydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide
+Cc1ccc2c(c1Sc3ccncc3)C(=O)NC(=N2)N	7Z9	2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3h-quinazolin-4-one
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)N2CCC[C@@H]2c3ccccc3)Nc4ccc5c(c4)ccnc5N	7ZA	2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
+Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)Br)C	7ZB	4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]-n-(3,5-dimethylphenyl)pyrimidin-2-amine
+CN(C)Cc1c[nH]c2c1cc(cc2)OC	7ZC	1-(5-methoxy-1h-indol-3-yl)-n,n-dimethyl-methanamine
+c1ccc(cc1)C[C@@H](C(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O)O	7ZD	(2s)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide
+c1cc2c(cccn2)c(c1)[N+](=O)[O-]	7ZE	5-nitroquinoline
+c1ccc(cc1)Nc2ncnc(n2)N	7ZF	n-phenyl-1,3,5-triazine-2,4-diamine
+c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N	7ZG	n-(2-amino-1h-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide
+[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	7ZH	methyl 6-[4-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+CS(=O)(=O)N(CC(=O)N)c1cccc(c1)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N	7ZJ	n-(2-amino-1h-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]phenyl]acetamide
+Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3[C@@H]4CCN(C4)CCN)c5ccc(cc5)I)C	7ZK	2-[(3r)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1h-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
+c1ccc(cc1)Nc2c(cnc(n2)N)Cl	7ZL	5-chloro-n4-phenylpyrimidine-2,4-diamine
+c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(nc3)N)O	7ZM	n-(6-aminopyridin-3-yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide
+c1ccc(c(c1)CCN2C(=NNC2=S)c3cccc(c3)OCCN4CCOCC4)C(=O)O	7ZN	2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1h-1,2,4-triazol-4-yl]ethyl]benzoic acid
+c1cc2c(cc1Nc3c(cncn3)Cl)CC(=O)N2	7ZO	5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one
+c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)Nc5c(cccc5F)F	7ZP	1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea
+C[C@@H](c1ccccc1)NC(=O)CNC(=O)c2cccc(c2)Cl	7ZQ	3-chloranyl-n-[2-oxidanylidene-2-[[(1s)-1-phenylethyl]amino]ethyl]benzamide
+COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-]	7ZR	3,4-dimethoxy-n-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
+c1cc(c(c(c1)C(=O)O)O)C=O	7ZS	3-methanoyl-2-oxidanyl-benzoic acid
+Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3[C@H]4CCN(C4)CCN)c5ccc(cc5)I)C	7ZT	2-[(3s)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1h-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
+C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	7ZU	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5s)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr o-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+c1cc(c(c(c1)Cl)Nc2ccc(cc2CC(=O)O)O)Cl	7ZV	5-hydroxydiclofenac
+CC(C)C[C@@H]1C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)C(F)(F)F	7ZW	2-[(4~{r})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{n}-[4-(trifluoromethyl)phenyl]ethanamide
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O	7ZY	1-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea
+c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-]	801	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}pyridin-3-olate
+c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])F	802	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-4-fluorobenzenolate
+CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C	803	lovastatin
+c1cc(ccc1c2ccc(cc2)C3=NCCCN3)c4cc5ccc(cc5[nH]4)C6=NCCCN6	804	6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1h-indole
+[H]/N=C(/C)\N1CCC(CC1)Oc2ccc3c4ccccc4n(c3c2)Cc5ccc6ccc(cc6c5)C(=N)N	806	7-[[2-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-9h-carbozol-9-yl]methyl]naphthalene-2-carboximidamid
+CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cc3ccc(o3)C(F)(F)F	808	n-[(2s)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1h-inden-2-yl]propane-2-sulfonamide
+Cn1cc(c2c1cc(c3c2C(=O)NC3=O)c4ccccc4Cl)CCO	809	4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2h,6h)-dione
+c1cc(ccc1[C@H](c2ccncc2)O)OCCN3CCCC3	80A	(r)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
+COc1ccc(c(c1)Cl)c2cc3c(cc2F)ncc4c3n(cn4)C5CCNCC5	80C	8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C[C@@H](C(=C5)C(=O)N)SC[C@@H](C(=O)O)N)O)O)O)O)N	80F	(2r)-3-[[(4s)-3-aminocarbonyl-1-[(2r,3r,4s,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4h-pyridin-4-yl]sulfanyl]-2-azanyl-propanoic acid
+c1cc(sc1)c2ccc(cc2)CN	80G	1-(4-thiophen-2-ylphenyl)methanamine
+CN(c1c(cccn1)CNc2ccnc(n2)c3[nH]c4c(n3)ccc(c4F)Cl)S(=O)(=O)C	80H	~{n}-[3-[[[2-(6-chloranyl-7-fluoranyl-1~{h}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{n}-methyl-methanesulfonamide
+CC(C)(C)OC(=O)NCCSC[C@H](C(=O)NCc1cccnc1)Nc2ccccc2	80K	tert-butyl (2-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate
+c1cc2c(cc1Nc3cc(c(cc3Cl)[N+](=O)[O-])NCCC(=O)O)NC(=O)N2	80L	3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid
+c1c(cc2c(c1sc3cc(cc(c3O)sc4cc(cc(c4O)sc5cc(cc(c5O)s2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	80M	sulfonato-thiacalix[4]arene
+[H]/N=C(/Cc1cccc(c1)OC)\NC(=O)c2cccnc2OC3CCNCC3	80O	n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-pyridine-3-carboxamide
+CCN(CC)[C@H]1[C@@H]2C[C@@H]3Cc4c(c(cc(c4C(F)(F)F)[C@@H]5CCCN5)O)C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O	80P	(4s,4as,5ar,12as)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2s)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
+c1cc(ncc1C(F)(F)F)OC2CCNCC2	80Q	2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine
+c1cc2c(cc1Nc3ccc(cc3Cl)[N+](=O)[O-])NC(=O)N2	80R	5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one
+Cn1ccnc1COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N	80U	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
+CC1(CCN(c2c1cc(cc2)C#Cc3ccc(cc3)OS(=O)(=O)F)C(=O)CCC(=O)O)C	80V	4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2h)-yl]-4-oxobutanoic acid
+CC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc2cccc(c2)Cl	80X	n-(3-chlorophenyl)-2-[(2r)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide
+CC1=CC(=CN(C1=O)C)C(=O)N(C[C@H](c2ccccc2)c3ccccn3)[C@H](C4CCOCC4)C(=O)NC	80Z	1,5-dimethyl-~{n}-[(1~{r})-2-(methylamino)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{n}-[(2~{s})-2-phenyl-2-pyridin-2-yl-ethyl]pyridine-3-carboxamide
+CCOC(=O)NC1=Nc2cc3c(cc2C(=O)N1)[nH]c(n3)NC	810	ethyl [2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-6-yl]carbamate
+c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COc4ccc(c(c4)Cl)C5(CN(C5)c6cc(ccn6)C(=O)O)O)Cl	811	2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid
+c1ccc(cc1)CNc2ccc(cc2)OC[C@H]3CCCN3	812	n-benzyl-4-[(2r)-pyrrolidin-2-ylmethoxy]aniline
+C[C@H]1C[C@@H]([C@@H]([C@@H](C=C(C([C@H](/C=C\C=C(\C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccccc3)/C)OC)OC(=O)N)C)C)O)OC	814	[(3r,5s,6r,7r,11s,12z,14e)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
+c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4ccc5ccnc(c5c4)N)nc1	815	thieno[3,2-b]pyridine-2-sulfonic acid [1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrroldin-3-yl]-amide
+Cc1cccc(n1)COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N	816	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
+[H]/N=C(\N)/N/C(=N/[H])/SCc1cccc(c1)C(F)(F)F	817	1-{[n-(1-imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene
+CC[C@@H]1\C=C(\[C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)O)/C	818	18-hydroxyascomycin
+CCOC(=O)NCc1ccc(cc1)n2c(nnc2S)c3cc(c(cc3O)O)C(C)C	819	ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4h-1,2,4-triazol-4-yl}benzyl)carbamate
+[H]/N=C(\N)/NOCC1(CC1)COc2cc(cc(c2)OS(=O)(=O)c3ccccc3S(=O)(=O)C)C	81A	2-methanesulfonyl-benzenesulfonic acid 3-methyl-5-((1-amidinoaminooxymethyl-cyclopropyl)methyloxy)-phenylester
+C1CCC(C1)NC(=O)C(=O)O	81B	(cyclopentylamino)(oxo)acetic acid
+CCN1CCN(CC1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl)OC	81C	n-[5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]prop-2-enamide
+C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C/C=C/[C@H](CC(=O)O1)O)O)O)O)C)O	81E	(1r,3s,5e,7s,11r,13e,15e,17e,19e,21r,23s,24r,25s)-11,24-dimethyl-1,3,7,21,25-pentakis(oxidanyl)-10,27-dioxabicyclo[21.3.1]heptacosa-5,13,15,17,19-pentaen-9-one
+Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cc(cnc4)Br	81F	1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine
+Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC4(N3)CCC(CC4)(c5ccc(cc5)F)O	81G	(1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1h-pyrazol-4-yl)-1'h-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'h)-one
+c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OC(F)(F)F	81H	(2r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol
+c1cc(oc1)C(=O)N2CCN(CC2)[C@@H]3CC(=O)N(C3)c4ccc(cc4)c5ccc(cc5)F	81I	(4~{r})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one
+CCOc1ccc(cc1)C(=O)O	81J	4-ethoxybenzoic acid
+CCCCCC/C=C\CCCCCCCC=O	81K	(z)-hexadec-9-enal
+CCSc1ccc(cc1)C(=O)O	81M	4-(ethylsulfanyl)benzoic acid
+CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)c3c(c(cnc3C)C(=O)O)C	81O	5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid
+CNc1ccc(cc1)C(=O)O	81P	4-(methylamino)benzoic acid
+C([C@H](CS)S)[C@@H](C(=O)O)N	81R	(4r)-4,5-disulfanyl-l-norvaline
+C([C@@H](CS)S)[C@@H](C(=O)O)N	81S	(4s)-4,5-disulfanyl-l-norvaline
+c1ccc2c(c1)nc3cc(c(cc3n2)O)N	81U	3-azanylphenazin-2-ol
+C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)(C(F)F)O	81V	n-[(2s,3s)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide
+c1ccc2c(c1)C(=NNC2=O)CN	81X	4-(aminomethyl)phthalazin-1(2h)-one
+CC(C)Oc1ccc2c(c1)c(n[nH]2)c3ccnc(c3)N4CCOCC4	81Y	3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1h-indazole
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)C[C@H](CC)C(=O)O	820	(2s)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid
+CC(=O)N/C(=C\c1ccc(c(c1)C=O)CC(=O)O)/C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	821	[4-((1z)-2-(acetylamino)-3-{[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxoprop-1-enyl)-2-formylphenyl]acet ic acid
+CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	822	n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-4-[difluoro(phosphono)methyl]phenylalaninamide
+C(CN(CCCS)C(=O)C[C@@H](C(=O)O)N)CS	823	n,n-bis(3-sulfanylpropyl)-l-asparagine
+c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	824	9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione
+c1ccc(cc1)[C@@H](Cc2ccc(c(c2)Br)C(F)(F)P(=O)(O)O)C(=O)c3ccccc3	825	[{2-bromo-4-[(2r)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid
+c1ccc2c(c1)c3c(n2Cc4ccc(cc4)O)CN(CC3)C(=O)c5ccc(cc5)O	826	1,3,4,9-tetrahydro-2-(hydroxybenzoyl)-9-[(4-hydroxyphenyl)methyl]-6-methoxy-2h-pyrido[3,4-b]indole
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N)N)O	827	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+c1cnccc1C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O	829	5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine
+c1cc(cc(c1)Cl)c2c[nH]nc2c3cc([nH]c3)C(=O)N[C@H](CO)c4ccc(c(c4)Cl)F	82A	(s)-n-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide
+Cn1cc(cc1C(=O)Nc2c3c(n[nH]2)C4(CC4)N(C3)C(=O)N[C@H](CN5CCCC5)c6ccccc6)Br	82B	3'-{[(4-bromo-1-methyl-1h-pyrrol-2-yl)carbonyl]amino}-n-[(1s)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1',4'-dihydro-5'h-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxamide
+Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4c(cccc4Br)F	82D	(3r,4s)-1-[(2-bromo-6-fluorophenyl)methyl]-n,n-dimethyl-4-(1-methyl-1h-indol-3-yl)pyrrolidin-3-amine
+COc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N	82E	5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
+CCCN(CCC)C[C@@H]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4c2nccc4	82F	n-[2-[(2s)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5h-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
+Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)[C@H]4CCc5c4c(ccc5)F	82G	(3r,4s)-1-[(1s)-7-fluoro-2,3-dihydro-1h-inden-1-yl]-n,n-dimethyl-4-(1-methyl-1h-indol-3-yl)pyrrolidin-3-amine
+CNC1=C(C(=O)N(N=C1)C)Cl	82I	4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one
+CCc1cc2ccc1CCOC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4cccc(c4)C(=O)N)C)S(=O)(=O)C(C)C	82J	3-{[(2r)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide
+CCCCCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)C[C@H](CC)C(=O)O	82K	(2s)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid
+Cc1c(sc(n1)[C@H](CN)NC(=O)c2ccc([nH]2)c3ccc(c(c3)F)Cl)CO	82M	n-{(1s)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1h-pyrrole-2-carboxamide
+C(#N)[Ni]12[S@+]3[Fe]1456[S@@+]2[Fe]478[Fe]53([S+]67)S8	82N	nickel iron clsuter with cyanide bound
+Cc1ccc(c(c1)C)NC(=O)[C@H]2CN(C[C@@H]2c3nnc(n3C4CC4)C5CC(C5)CC(C)C)C(=O)C	82O	(3r,4r)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-n-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1	82R	(1r,2s,4s,5'r,6r,7s,8r,9s,10r,12s,13s,16s,18s)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol
+C[C@@]12CC[C@@H](C1(C)C)C[C@H]2Br	82S	(1r,2r,4r)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane
+c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCOCC5)OCCO2	82V	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7h-thieno[3,2-b]pyran-7-one
+C[C@@H]1/C=C(/[C@]23[C@@H](C[C@@H](C(=O)O[C@@H]1[C@@H](C)O)OC)C=C[C@@H]4[C@H]2[C@@H]([C@H]([C@H]([C@@H]4O3)OC(=O)c5ccc[nH]5)C)O)\C	82W	[(1~{s},3~{r},4~{r},5~{r},6~{r},7~{s},8~{r},11~{s},13~{s},16~{s},17~{r},18~{e})-13-methoxy-5,17,19-trimethyl-6-oxidanyl-16-[(1~{r})-1-oxidanylethyl]-14-oxidanylidene-2,15-dioxatetracyclo[9.8.0.0^{1,7}.0^{3,8}]nonadeca-9,18-dien-4-yl] 1~{h}-pyrrole-2-carboxylate
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4cc(sc4c3)c5cccc(c5)C(=O)O	82X	3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid
+c1cc(ccc1c2csc3c2OC(=CC3=O)N4CCOCC4)C(=O)NO	82Y	n-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]benzamide
+c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CP(=O)(O[K])O[K]	830	dipotassium (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonate
+CN(C)Cc1ccc(cc1)c2cnn3c2nccc3c4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F	831	n-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
+Cn1c(cc(n1)c2ccc3c(c2)OCO3)N	833	3-(1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-5-amine
+Cc1c(ccc2c1OCCO2)C(=O)Nn3c(c(nc3c4ccccc4Cl)C)C(C)C	834	n-[2-(2-chlorophenyl)-4-methyl-5-(1-methylethyl)-1h-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
+CC1=Nc2cccc(c2C(=O)N1[C@H]3CCC(=O)NC3=O)N	835	(3s)-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione
+Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)[N+](=O)[O-]	836	n-methyl-n-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide
+CCOC(=O)c1ccc(cc1)c2csc3c2OC(=CC3=O)N4CCOCC4	837	ethyl 4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]benzoate
+C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)C)C(C)C)C)OC	838	18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone
+c1ccc(cc1)c2cc3c(c4cc(ccc4n3CCC(=O)O)O)c5c2C(=O)NC5=O	839	3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1h)-yl)propanoic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCc2cc3c([nH]2)N=C(NC3=O)N	83A	n-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-l-glutamic acid
+C[C@@H](CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O	83B	[(3s)-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate
+c1cc(ccc1/C(=C/c2cc(cc(c2)O)O)/F)O	83D	5-[(z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
+CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCC(=O)N2[C@H](C(=CC2=O)OC)Cc3ccc(cc3)c4ccccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C	83E	n,n-dimethyl-l-valyl-l-leucyl-n-[(3s)-6-{(2s)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-l-leucinamide
+C[C@@H]1CN(CCN1C(=O)C(=O)c2c[nH]c3c2c(ccn3)OC)C(=O)c4ccccc4	83G	1-[(2r)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
+CCN1c2cc3c(cc2C(C1=O)(C)C)[nH]c-4c3CCCc5c4[nH]nc5C	83H	8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1h)-one
+CCOC(=O)CC(=O)CCl	83I	ethyl 4-chloranyl-3-oxidanylidene-butanoate
+Cc1ncn(n1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCN(CC4)C(=O)c5ccccc5)c(cn2)OC	83J	1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1h-1,2,4-triazol-1-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
+CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCC(=O)N2[C@H](C(=CC2=O)OC)Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C	83K	n,n-dimethyl-l-valyl-l-leucyl-n-[(3s)-6-{(2s)-2-[(1h-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-l-leucinamide
+c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7N=C8[N]5=C(C=C8)C(=C9N6C(=N4)C=C9)c1ccccc1	83L	10,20-diphenyl-5,15-diaza-porphyrin containing fe
+CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@H](Cc1ccc(cc1)O)C2=NCC[C@H](N2)C(=O)NCC(=O)N)C(=O)O	83M	n-[(1r)-1-{(6s)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-n~2~-tetradecanoyl-l-glutamine
+c1[nH]c(nn1)C[C@@H](C(=O)O)N	83O	(2s)-2-azanyl-3-(4h-1,2,4-triazol-3-yl)propanoic acid
+CNC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)c4c(cco4)CNc5ccc6c(c5)nccn6	83P	(r)-n-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole-3-carboxamide
+CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)CN	83Q	6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine
+c1ccc2c(c1)c3ccccc3s2	83R	dibenzothiophene
+CC(C)c1cc(c(cc1C=O)O)C(=O)N2Cc3ccccc3C2	83S	5-hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CNC)NC(=O)OC(C)C	83T	propan-2-yl n-[(2s,4r)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2h-quinolin-4-yl]carbamate
+c1ccc2c(c1)-c3ccccc3S2=O	83U	dibenzothiophene 5-oxide
+c1ccc(cc1)CC[C@@H](CCC(=O)O)N	83V	(4s)-4-amino-6-phenylhexanoic acid
+CC(=O)c1c(cc(cc1O)O)O	83X	1-[2,4,6-tris(oxidanyl)phenyl]ethanone
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O	83Y	3-o-sulfo-alpha-l-rhamnopyranose
+C[C@@]1([C@H]2[C@@]34C[C@]35CC2(C=CC1=O)[C@H]([C@@]5(O4)C)O)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O	840	platensimycin a1
+c1ccnc(c1)N2CCC(CC2)CNC(=O)N3CCCC3	841	~{n}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CCCCC2)c3cccc(c3)n4cccn4)O	842	n-[(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1h-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide
+CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	843	n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-o-phosphonotyrosinamide
+COc1cc(cc(c1OC)OC)c2cc(cnc2)c3ccc(cc3)N4CCNCC4	844	1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine
+C[C@@H](C(=O)NCc1cccc(c1)N2C(=C3NN=C(O3)c4cccc5c4cc[nH]5)C=C(N2)C(F)(F)F)N	845	n-(3-{5-[5-(1h-indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)-1h-pyrazol-1-yl}benzyl)-l-alaninamide
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)CC5CC5)Cc6ccccc6)O)O	846	[4r--(1alpha,5alpha,7beta)]-3-[(cycloprophylmethyl)hexahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepin] methyl-2-thiazolylbenzamide
+c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(cc(c3[O-])Br)[C@@H](CC(=O)[O-])C(=O)[O-]	847	2-(3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-5-bromo-4-oxidophenyl)succinate
+c1ccc(c(c1)N)OCc2cccnc2	848	2-(pyridin-3-ylmethoxy)aniline
+CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)F	849	2-{4-[3-fluoro-2-(2-methoxyphenyl)-1h-indol-5-yl] piperidin-1-yl}-n-methylethanamine
+c1cc(ccc1n2c(cnn2)C34C5=C6[Fe]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N	84A	p-(5-ferrocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide
+C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N	84D	dibekacin
+C[C@H]1[C@@H](N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC	84F	(3s,4r)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
+C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N	84G	arbekacin
+COC1=CC(=O)N[C@H]1Cc2ccc(cc2)c3ccccc3	84H	(5s)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2h-pyrrol-2-one
+COC(=O)c1cc(c(cc1Cl)SCCc2ccccc2)S(=O)(=O)N	84I	methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate
+C[C@@H](c1ccc(cc1)Br)N[C@@H](c2cccc3c2nc(c(n3)O)O)P(=O)(O)O	84J	[(r)-{[(1s)-1-(4-bromophenyl)ethyl]amino}(2,3-dihydroxyquinoxalin-5-yl)methyl]phosphonic acid
+c1ccn2c(c1)nnc2Sc3ccc4nc(cn4n3)NC(=O)C5CC5	84M	n-{6-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl}cyclopropanecarboxamide
+COC1=CC(=O)N[C@H]1Cc2c[nH]c3c2cccc3	84N	(5s)-5-[(1h-indol-3-yl)methyl]-4-methoxy-1,5-dihydro-2h-pyrrol-2-one
+COC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N	84O	methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate
+Cn1cc(cn1)c2ccc3c(c2)n(nn3)Cc4ccc5nc(cn5n4)NC(=O)C6CC6	84P	n-(6-{[6-(1-methyl-1h-pyrazol-4-yl)-1h-benzotriazol-1-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide
+c1csc2c1nc(nc2N3CCOCC3)c4cc(cc(c4)O)N	84R	3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
+Cn1cc(cn1)c2ccc3nnc(n3c2)C(c4ccc5nc(cn5n4)NC(=O)C6CC6)(F)F	84S	n-(6-{difluoro[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide
+CC(C)[C@H]([C@@H](C(=O)NP(=O)(O)OC[C@@H]1C[C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	84T	[(2s,4s,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-n-[(2s,3r)-4-methyl-2,3-bis(oxidanyl)pentanoyl]phosphonamidic acid
+c1cc(ccc1CNc2cc(cc(c2)O)c3nc4ccsc4c(n3)N5CCOCC5)F	84U	3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
+Cn1cc(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+]	84W	[7-(1-methyl-1h-pyrazol-4-yl)-4-oxo-3,4-dihydrophthalazin-1-yl]methanaminium
+c1ccc(cc1)CNc2cc(cc(c2)O)c3nc4ccoc4c(n3)N5CCOCC5	84X	3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol
+COC(=O)c1cc(c(cc1S(=O)(=O)c2ccccc2)Cl)S(=O)(=O)N	84Z	methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc4c(cccc4s3)c5ccccc5)NC	851	n-{(1s)-1-cyclohexyl-2-oxo-2-[(2s)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl}-n~2~-methyl-l-alaninamide
+CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)O)C(C(=O)O)C(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	852	2-{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid
+CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)O)CC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	853	5-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxymethyl-benzoic acid
+CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc2ccccc2	854	ethyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate
+Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccncc4	855	2-(6-methylpyridin-2-yl)-n-pyridin-4-ylquinazolin-4-amine
+COC(=O)c1ccc(cc1)C(=O)OCCO	856	o 4-(2-hydroxyethyl) o 1-methyl benzene-1,4-dicarboxylate
+CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OC[C@@H]5CCC[N@]5C)Cl	857	4-({2-[(4-chloro-3-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-n-methylpyridine-2-carboxamide
+CC[C@@H]1\C=C(\C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6CC)/C)O)C)OC)OC)C)/C	858	c32-o-(1-ethyl-indol-5-yl)ascomycin
+c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3cccc(c3)O	859	2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide
+c1cnccc1CNc2cc3c(cc2Cl)NC(=O)Nc4cnc(c(n4)OCCCCCO3)C#N	85A	18-chloro-2-oxo-17-[(pyridin-4-ylmethyl)amino]-2,3,11,12,13,14-hexahydro-1h,10h-4,8-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecine-7-carbonitrile
+Cc1cc(cc(c1OC(C)(C)C(=O)O)C)CN2C(=O)N(C=N2)c3ccc(cc3)OC(F)(F)F	85B	2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid
+Cc1ccc(cc1Cl)NC(=O)NCc2ccc3c(c2)CN(C3=O)[C@H]4CCC(=O)NC4=O	85C	1-(3-chloro-4-methylphenyl)-3-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1h-isoindol-5-yl}methyl)urea
+CC1([C@@H]2CC=C([C@H]1C2)CBr)C	85D	(1s,5r)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
+Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+])c4c(cc5ccccc5c4C#N)F	85E	{7-[(5m)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1h-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium
+C([C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N	85F	(2r)-2-azanyl-3-[(2r)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid
+CCNC(=O)CC[C@@H](C(=O)O)N	85G	n-ethyl-l-glutamine
+CCCNC(=O)CC[C@@H](C(=O)O)N	85J	n-propyl-l-glutamine
+Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+])c4c(c(cc(c4F)Cl)OC5CC5)C#N	85K	(7-{(5m)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1h-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium
+C[C@H]1c2ccc(cc2O[C@H]([C@@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O	85M	(2r,3s,4r)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2h-1-benzopyran-7-ol
+c1cc(ccc1c2cc(c3cc(ccc3n2)OS(=O)(=O)F)C(=O)O)Cl	85P	2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC	85R	[(2~{r})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{s},3~{s},5~{r},6~{s})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate
+CC(=O)N1CCN(CC1)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5C6CCOCC6	85S	1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1h-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H](C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#N	85T	4-amino-1-{2-cyano-2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}pyrimidin-2(1h)-one
+[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC/C=C/[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	85U	methyl 6-[4-[[~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+c1cc(ccc1c2cc3c(cc2Cl)[nH]c(n3)O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)C6(CC6)CO	85V	1,4:3,6-dianhydro-2-o-(6-chloro-5-{4-[1-(hydroxymethyl)cyclopropyl]phenyl}-1h-benzimidazol-2-yl)-d-mannitol
+Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6	85X	12-(2-cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole
+c1ccc2cc(ccc2c1)CNC(=O)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	85Y	2'-deoxy-5-{[(naphthalen-2-yl)methyl]carbamoyl}uridine 5'-(dihydrogen phosphate)
+Cc1cc(ccc1C2=C(c3ccc(cc3OC2=O)O)Cc4ccc(cc4)/C=C/C(=O)O)F	85Z	(e)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid
+c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl	860	2-(3-chlorophenyl)-n-(isoquinolin-4-yl)acetamide
+COc1cc(cc(c1OC)OC)CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3	861	3-(3,4,5-trimethoxyphenyl)propyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cn(nn4)c5ccc(cc5)C(=O)C)c(ncn3)N	862	1-[(3~{r})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
+CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OC3CCCC3)OC)(C)C	863	5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3h-pyrazol-3-one
+CC(C)[C@H](NC(=O)OCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	864	(2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl](hydroxy)phosphoryl]propanoic acid
+Cc1ccnc(c1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CC(=O)N6CCNCC6)n7ccnc7	865	7-[2-(1h-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1h-indole-2-carboxylic acid
+CCN(C[C@@](CNC(=O)c1cnn(c1N)c2ccc(cc2)F)(C(F)(F)F)O)C(=O)c3c(cccc3Cl)Cl	866	5-amino-n-[(2s)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1h-pyrazole-4-carboxamide
+[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NCCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	867	methyl 6-[4-[[~{n}-[3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+Cc1c(ccc(c1c2ccc(cc2)OC)S(=O)(=O)C)C(=O)c3cnn(c3O)C(C)(C)C	869	(1-tert-butyl-5-hydroxy-1h-pyrazol-4-yl)[6-(methylsulfonyl)-4'-methoxy-2-methyl-1,1'-biphenyl-3-yl]methanone
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)CCc2ccccc2)O	86A	(2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-hydroxy{(1r)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]oxy}acetic acid
+CC(C)NC[C@@H](COc1ccc(cc1)S(=O)(=O)N)O	86B	4-{(2s)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide
+Cc1c(cc2cnn(c2n1)c3cc(sc3)C(=O)NC4COC4)Nc5c(cccc5Cl)F	86C	4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1h-pyrazolo[3,4-b]pyridin-1-yl]-n-(oxetan-3-yl)thiophene-2-carboxamide
+c1cc(c2c(c1Oc3cc(cc(c3)F)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)F	86D	3-({(1s)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1h-inden-4-yl}oxy)-5-fluorobenzonitrile
+c1cc(c(c(c1)Cl)Cl)S(=O)(=O)Nc2ccc(cc2)c3cc(c4c[nH]nc4n3)C(=O)N[C@@H]5CCNC5	86H	6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{n}-[(3~{r})-pyrrolidin-3-yl]-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxamide
+Cc1c(n2cc(ccc2n1)F)N	86J	6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine
+CC(C)Oc1ccc(cc1Cl)CN	86L	(3-chloranyl-4-propan-2-yloxy-phenyl)methanamine
+COc1cc(c(cn1)OCc2cccn3c2ncc3)C=O	86M	5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde
+c1nc(c2c(n1)n(cn2)c3c(c(c(o3)COP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N)O)O)N	86N	(2s)-5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)furan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N	86P	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
+c1ccc-2c(c1)CCc3c2nnc(c3)N	86Q	5,6-dihydro-benzo[h]cinnolin-3-ylamine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N	86S	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1c2c(cc(c1F)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3	86U	6,7-bis(fluoranyl)-3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
+C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O	86V	(2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3s)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2h-1-benzopyran-7-ol
+c1c2c(cc(c1Cl)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3	86X	6-chloranyl-7-fluoranyl-3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
+C[C@@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O	86Y	(2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3r)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2h-1-benzopyran-7-ol
+COc1cc(c2c(c1)nc(o2)NS(=O)(=O)c3cc(ccc3Cl)Cl)c4cccc(c4)N	870	n-[7-(3-aminophenyl)-5-methoxy-1,3-benzoxazol-2-yl]-2,5-dichlorobenzenesulfonamide
+CC(C)c1cc(c(cc1CC#N)O)C(=O)N2Cc3ccccc3C2	871	2-(5-hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile
+c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCCNC(=O)C2CC(F)(F)F)N	872	(3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one
+c1ccc2c(c1)C(=O)N(C=N2)C[C@@H](C[C@@H]3[C@@H](CCCN3)O)O	873	3-[(2r)-2-oxidanyl-3-[(2r,3r)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one
+CC(C)c1cc(c(c(c1O)CO)O)C(=O)N2Cc3ccccc3C2	874	(2,4-dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone
+CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	876	n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3,4-diphosphonophenylalaninamide
+CCOc1c(c(cc(n1)NC(=O)Cc2cc(c(cc2OC)Br)OC)N)C#N	877	n-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide
+c1cc(c(cc1I)C(=O)O)NC(=O)C(=O)O	878	5-iodo-2-(oxalyl-amino)-benzoic acid
+c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)Oc5cncnc5)Cl	879	6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1h-pyrrol-1-yl}methyl)pyridin-2-amine
+C1CCC2=C(C1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@@H](CCCN3)O	87C	3-[2-oxidanylidene-3-[(2r,3r)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one
+CN1C=C(C(=CC1=O)OC)c2cc(ccc2Oc3ccccc3)NS(=O)(=O)C	87D	n-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
+C[C@H](C(=O)N[C@@H](CO)C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	87E	(2s)-2-[[(2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]-3-oxidanyl-propanoic acid
+c1ccc2c(c1)C(=O)N(C=N2)CCC[C@@H]3C(=O)CCCN3	87F	3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
+CCS(=O)(=O)Nc1ccc(c(c1)c2cn(c3c2C=CNC3=O)C)Oc4ccc(cc4F)F	87G	n-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide
+C[C@H](c1cccc(c1)F)C(=O)Nc2cncc3c2cccc3	87H	(2r)-2-(3-fluorophenyl)-n-(isoquinolin-4-yl)propanamide
+Cn1cncc1[C@](c2ccc3c(c2)c(c(c(n3)OC)c4ccc(cc4)S(=O)(=O)C)Cl)(c5ccc(nc5)C(F)(F)F)O	87J	(s)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
+c1ccc(cc1)[C@@H](C(=O)O)n2cccc2	87L	(2s)-2-phenyl-2-pyrrol-1-yl-ethanoic acid
+CCS(=O)(=O)Nc1ccc(c(c1)c2c3c(c([nH]2)C)C(=O)NN=C3)Oc4ccccc4	87M	n-[3-(7-methyl-1-oxo-2,6-dihydro-1h-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O	87N	[(2~{r},3~{r},4~{s},5~{s},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate 
+CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O	87O	phosphono hexadecanoate
+Cc1c2c(c([nH]1)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C)CCCC2=O	87P	n-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide
+CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C	87R	6-methyl-n-[(1r)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c(cc([nH]1)c2ccccc2Oc3ccc(cc3)Cl)C(=O)N	87S	5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1h-pyrrole-3-carboxamide
+Cn1cc(cn1)c2c[nH]c3c2cc(cc3)Oc4ccc(cc4)NC(=O)CN	87T	n-(4-{[3-(1-methyl-1h-pyrazol-4-yl)-1h-indol-5-yl]oxy}phenyl)glycinamide
+CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)N/C(=C\c3cccc(c3)C(=O)c4ccc(cc4)F)/C(=O)N2	87U	(3z,6z)-3-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]-6-[[3-(4-fluorophenyl)carbonylphenyl]methylidene]piperazine-2,5-dione
+Cc1c(cc([nH]1)c2ccccc2)C(=O)N	87V	2-methyl-5-phenyl-1h-pyrrole-3-carboxamide
+C1CCC(CC1)CCCCC(=O)O	87X	5-cyclohexylpentanoic acid
+C[C@@]1(C(=NC2=C(N1)N=C(NC2=O)N)CO)CCc3ccccc3	87Y	7,8-dihydro-6-hydroxymethyl-7-methyl-7-[2-phenylethyl]-pterin
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O	87Z	[(2~{r},3~{r},4~{s},5~{r},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CCCn1c(c(nc1C2CCNCC2)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CCCCC5	880	cyclohexyl-{4-[5-(3,4-dichlorophenyl)-2-piperidin-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine
+c1cc(ncc1)/C(=N/c2cc(c(cc2)c3oc(cc3)c4c(cc(cc4)/N=C(\N)/c5ncccc5)OC6CCNCC6)OC7CCNCC7)/N	881	n',n''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide
+CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O	882	(3r,5r)-7-[5-(anilinocarbonyl)-3,4-bis(4-fluorophenyl)-1-isopropyl-1h-pyrrol-2-yl]-3,5-dihydroxyheptanoic acid
+CCNC(=O)Nc1[nH]c2c(cc(cc2n1)c3cc(cnc3)F)c4ncccn4	883	1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1h-benzimidazol-2-yl]urea
+Cc1cc(c(cc1Cl)N)S(=O)(=O)[N@@]2CCC[C@H]2C(=O)O	885	1-[(2-amino-4-chloro-5-methylphenyl)sulfonyl]-l-proline
+CC(C)[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)COc3ccc(cc3)C(=O)C(C)C	886	n-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-d-valine
+COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)NC5CC5	887	n-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
+CC(C)CCN1c2ccccc2C(=C(C1=O)C3=NS(=O)(=O)c4ccccc4N3)O	888	3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1h)-one
+CC(C)CC(=O)Nc1c2c([nH]n1)C(N(C2)C(=O)C3CCN(CC3)C)(C)C	889	n-{6,6-dimethyl-5-[(1-methylpiperidin-4-yl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide
+CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5	88A	8-(4-methylsulfonylphenyl)-n-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
+C(CC(=O)O)C(=O)NN	88B	4-diazanyl-4-oxidanylidene-butanoic acid
+CCN(CC)S(=O)(=O)c1cc(ccc1Cl)Nc2nccc(n2)c3ccnc(c3)c4ccc(cc4)NC(=O)NC	88C	1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea
+Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccc[se]3	88D	n-(2-methylphenyl)-nalpha-(selenophene-2-carbonyl)-d-phenylalaninamide
+Cc1cc(nn1c2ccc3ccccc3c2)OCCN4CCOCC4	88E	4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine
+Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccccc3	88G	nalpha-(benzenecarbonyl)-n-(2-methylphenyl)-d-phenylalaninamide
+CCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCCCC[C@H]3C[C@@H](OC3=O)C)O)O	88I	(3~{s},5~{s})-5-methyl-3-[(13~{r})-13-oxidanyl-13-[(2~{r},5~{r})-5-[(2~{r},5~{r})-5-[(1~{r})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one
+Cn1cncc1[C@@](c2ccncc2)(c3ccc4c(c3)c(c(c(n4)N(C)C)c5ccccc5)Cl)O	88J	(s)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1h-imidazol-5-yl)(pyridin-4-yl)methanol
+CCc1ccc(cc1)OP(=O)(O)O	88L	(4-ethylphenyl) dihydrogen phosphate
+CCOC1=CC(=O)N(C=C1c2cc(ccc2Oc3ccc(cc3F)F)NS(CC)(O)O)C	88M	5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1h)-one
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O	88N	{4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid
+CCOC(=O)c1c2c(c([nH]1)C)C(=O)CCC2	88P	ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindole-1-carboxylate
+C1C[C@@](CO[C@@H]1[C@@H]2CC[C@@](CO2)(CO)O)(CO)O	88Q	1,5:6,10-dianhydro-3,4,7,8-tetradeoxy-2,9-bis-c-(hydroxymethyl)-l-manno-decitol
+COc1ccc(cc1OC)CC(C(=O)O)C(=O)O	88R	2-((3,4-dimethoxyphenyl)methyl))propanedioic acid
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N	88S	n-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide
+Cc1nc2ccccc2c(n1)N(C)c3ccc(cc3)OC	88U	n-(4-methoxyphenyl)-n,2-dimethyl-quinazolin-4-amine
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCc3ccc(cc3)CC(C(=O)O)C(=O)O	88V	(4-{2-[({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}carbamoyl)amino]ethyl}benzyl)propanedioic acid
+CCNC(=O)NCCC(=O)Nc1ccc2c(c1)sc(n2)C	88W	n~3~-(ethylcarbamoyl)-n-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide
+CCC1=CC(=O)N=C2N1C=C(N2)C(=O)c3ccccc3	88X	5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1h)-one
+Cc1c(cc([nH]1)c2ccccc2N)C(=O)C	88Y	1-[5-(2-aminophenyl)-2-methyl-1h-pyrrol-3-yl]ethan-1-one
+COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	88Z	n-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
+CN(c1ccc(c(c1)N)OC)C2=CC(=O)Oc3c2cccc3	890	4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one
+C[C@@H](CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C	891	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1s)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)N)C(=O)c4cc(c(c(c4)Br)O)Br	892	3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid (4-sulfamoyl-phenyl)-amide
+CCOc1c(ccc(n1)C(=O)NCc2cc(ccc2OC)OC)C#N	893	5-cyano-n-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)CCc3ccc(s3)Cl	894	2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl	895	2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethenesulfonamide
+CCN(C(C)C)C(=O)c1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C	896	n-ethyl-n-isopropyl-3-methyl-5-{[(2s)-2-(pyridin-4-ylamino)propyl]oxy}benzamide
+Cc1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C(=O)N(CCC(=O)NC(C)(C)C)C(C)C	897	n-[3-(tert-butylamino)-3-oxopropyl]-n-isopropyl-3-methyl-5-{[(2s)-2-(pyridin-4-ylamino)propyl]oxy}benzamide
+C[C@@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl)N(C)C	898	(e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-{4-[(1s)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide
+C[C@H](C(=O)NC(C)C(=O)N)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C	89A	2-[[(2r)-2-[[(1r,2s,3r,4r,5r)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide
+CN(c1ccc(c(c1)O)OC)C2=CC(=O)Oc3c2cccc3	89C	4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one
+CCS(Nc1ccc2c(c1)C3=CN(C(=O)C=C3OCCCCc4cc(cc(c4O2)F)F)C)(O)O	89D	17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2h)-one
+c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4	89E	3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole
+CN1CCN(CC1)[C@H]2Cc3ccccc3Sc4c2cc(cc4)SC	89F	1-methyl-4-[(5~{s})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
+CN1C(=O)C=C(C(=N1)c2ccccc2Oc3ccccc3)OC	89G	5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2h)-one
+CN(C)c1ccc(cc1)c2c(ncnc2N)C#Cc3ccc(nc3)N4CCOCC4	89I	5-[4-(dimethylamino)phenyl]-6-[(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine
+CNC1=CC(=O)N(N=C1c2ccccc2)C	89J	2-methyl-5-(methylamino)-6-phenylpyridazin-3(2h)-one
+C/C(=C\COc1ccccc1CN(C)C(=O)c2ccc(cc2)c3ccco3)/CCC(=O)O	89L	(e)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid
+CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccc3ccccc3n2)NC(=O)C4CCC(CC4)CN	89M	nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-n-octyl-o-[(quinolin-2-yl)methyl]-l-tyrosinamide
+C(/C=C/CO)O	89N	(2e)-but-2-ene-1,4-diol
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4	89O	(5s,5ar,8ar,9r)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5h-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)ccc(n5)C(=O)O	89P	6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid
+CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C(F)(F)F)C	89R	fluorinated heme
+CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccncc2)NC(=O)C3CCC(CC3)CN	89S	nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-n-octyl-o-[(pyridin-4-yl)methyl]-l-tyrosinamide
+COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4c2cccc4	89U	10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one
+CC(C)([C@@H](C(=O)O)O)O	89V	(2s)-2,3-dihydroxy-3-methylbutanoic acid
+c1ccc(cc1)C(=O)N[C@@H]2CCCNC2	89W	n-[(3r)-piperidin-3-yl]benzamide
+CC(C)C[C@@H](C(=O)N[C@H](c1ccccc1)C(=O)NO)NC(=O)NCc2ccccc2	89X	(2s)-4-methyl-n-[(1r)-2-(oxidanylamino)-2-oxidanylidene-1-phenyl-ethyl]-2-[(phenylmethyl)carbamoylamino]pentanamide
+C1[C@@]([C@H](C(=O)O1)O)(CO)O	89Y	(3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one
+Cc1ccccc1c2cc(cc(c2)C(F)(F)F)[C@@]3(c4c([nH]nc4OC(=C3C#N)N)C)C(C)C	8A0	(4~{s})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile
+C[C@](CO)(C(=O)O)O	8A1	(2s)-2,3-dihydroxy-2-methylpropanoic acid
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)CC(F)(F)F)C(C)C)C#N)N	8A3	4-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{n}-methyl-~{n}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide
+Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)c(c(c(n4)OC)Cc5ccc(cc5)n6cccn6)Cl)O	8A4	(r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methanol
+COc1ccc(cc1OC)CN2CCOCC2	8A5	4-[(3,4-dimethoxyphenyl)methyl]morpholine
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)Cc5ccccc5)C(C)C)C#N)N	8A6	4-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{n}-methyl-~{n}-(phenylmethyl)benzenesulfonamide
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5	8A7	(5r)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione
+CC(=O)N(c1ccc2cc3ccccc3cc2c1)c4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)O)O)NC(=NC5=O)N	8AA	8-[acetyl(anthracen-2-yl)amino]-2'-deoxy-5'-o-(dihydroxyphosphanyl)guanosine
+Cc1cccc(n1)N2CCN[C@H](C2)C	8AB	(3s)-3-methyl-1-(6-methylpyridin-2-yl)piperazine
+C(CCCC(=O)O)CCCN	8AC	8-aminooctanoic acid
+CN(C)CCCCNC(=O)c1cccc2c1nc3ccccc3c2N	8AD	9-amino-(n-(2-dimethylamino)butyl)acridine-4-carboxamide
+c1ccc-2c(c1)Cc3c2cc(cc3)Nc4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)O)O)NC(=NC5=O)N	8AF	[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-(9~{h}-fluoren-3-ylamino)-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
+CC(=O)N(c1ccc2cc3ccccc3cc2c1)C4NC5=C(N4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(NC5=O)N	8AG	8-[acetyl(anthracen-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate)
+Cc1nc(c2c(n1)n(c(n2)C)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	8AH	5'-o-(dihydroxyphosphanyl)-2,8-dimethyladenosine
+CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl	8AJ	2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-n,n-dimethylethan-1-amine
+Cc1cc(no1)C(=O)N(C2CC2)C(C)C	8AK	n-cyclopropyl-5-methyl-n-(propan-2-yl)-1,2-oxazole-3-carboxamide
+CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cn(nc4OC)C	8AM	n-[(3r,4r)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1h-pyrazol-4-yl)amino]-9-(propan-2-yl)-9h-purin-2-yl}pyrrolidin-3-yl]propanamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O)N	8AN	3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate)
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)Cc5ccccc5)C(C)C)C#N)N	8AO	(4~{s})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{h}-pyrano[2 ,3-c]pyrazole-5-carbonitrile
+c1ccc(cc1)CNc2cccnc2N	8AP	n~3~-benzylpyridine-2,3-diamine
+O[As](=O)([O-])[O-]	8AR	hydrogen arsenate
+C1COCCN1CCC(=O)O	8AS	3-(morpholin-4-yl)propanoic acid
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4Cl)C(C)C)C#N)N	8AU	(4~{s})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5- carbonitrile
+C1CCC(CC1)[C@@H](CN)N	8AV	(1s)-1-cyclohexylethane-1,2-diamine
+CC[C@H](C)C(=O)N[C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc2cncs2)Cc3ccccc3	8AW	1,3-thiazol-5-ylmethyl [(2r,5r)-5-{[(2s)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)Cl)(F)F	8AX	6-{[(3r,4r)-4-(2-{[2-(3-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC(C)c1ccc2c(c1)sc(n2)C[C@@H](C(=O)O)N	8AY	3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanine
+C1=Nc2c(nnn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)[C@H](N1)O	8AZ	8-aza-nebularine-5'-monophosphate
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4C#N)C(C)C)C#N)N	8B0	(4~{s})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)CCN3CCOCC3)C4CCCCC4	8B1	n-[(1s)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide
+C[C@H](c1ccc(cc1)N2CCOCC2)N	8B2	(1r)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4F)C(C)C)C#N)N	8B3	(4~{s})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5- carbonitrile
+C[C@@]1([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)OP(=O)(O)O)c2cnc3n2ncnc3N)F	8B4	(1s)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-d-ribitol
+c1coc2c1c(c3c(c2)OC(=O)C=C3)O	8B6	4-oxidanylfuro[3,2-g]chromen-7-one
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O)O	8B7	6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranose
+CC(=O)N[C@@H]1[C@H](C[C@H](O[C@@H]1O)CO)O	8B9	2-acetamido-2,4-dideoxy-alpha-d-xylo-hexopyranose
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3C[C@@H]([C@H](O3)COP(=O)(=O)O)O)N	8BA	8-bromo-deoxyadenosine-5'-monophosphate
+C1CC(CCC1C(=O)N/C(=C/S)/N)C(=O)O	8BB	trans-4-{[(e)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid
+CC(=O)Nc1cccc(c1C(=O)O)F	8BC	2-acetamido-6-fluorobenzoic acid
+COc1ccccc1\C=N/OCCC(=O)O	8BD	3-({[(1z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid
+C[C@H](CCC[C@H](c1ccc(cc1)O)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8BF	(1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{r})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{ a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CC(C)CN(C1(CC1)[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)S(=O)(=O)c5ccc(cc5)N	8BG	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2s)-1-(1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}cyclopropyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate
+C[C@@H]1CC(C[C@H]1NCc2cc[nH]n2)(C)C	8BI	(1r,2r)-2,4,4-trimethyl-n-[(1h-pyrazol-3-yl)methyl]cyclopentan-1-amine
+CC/N=C\1/N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	8BJ	(2z,3ar,5r,6s,7r,7ar)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+C[C@H](CCCC(=O)c1ccc(cc1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8BL	(5~{r})-5-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl)cyclohexyl idene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one
+CC(C)n1cnc2c1nc(nc2Nc3ccc(cc3)N4CCN(CC4)C)N[C@H]5CCN(C5)C(=O)C	8BM	4-(4-{[2-{[(3s)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9h-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
+Cc1[nH]c2cc(cc(c2n1)O[C@H]3CCOc4c3c(cc(c4)F)F)C(=O)N(C)C	8BN	tegoprazan
+C[C@H](CCC[C@@H](c1ccc(cc1)O)OC)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8BO	(1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{s})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cnn(c4)C	8BP	n-[(3r,4r)-4-fluoro-1-{6-[(1-methyl-1h-pyrazol-4-yl)amino]-9-(propan-2-yl)-9h-purin-2-yl}pyrrolidin-3-yl]propanamide
+c1cc(cc(c1)F)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O	8BQ	7-[(3s,4r)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	8BR	8-bromo-adenosine-5'-monophosphate
+CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C)Nc4cn(nc4OC)C	8BS	n-[(3r,4r)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1h-pyrazol-4-yl)amino]-9-methyl-9h-purin-2-yl}pyrrolidin-3-yl]propanamide
+CS(=O)(=O)NC1CCCC1	8BT	n-cyclopentylmethanesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([C@H](F)P(=O)(O)OP(=O)(O)O)O)O)O)N	8BU	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(s)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
+CC(C)Oc1ccccc1C(=O)N	8BV	2-[(propan-2-yl)oxy]benzamide
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3Cl)(F)F	8BX	6-{[(3r,4r)-4-(2-{[2-(2-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC(C)Oc1cc2c(cccc2c3ccc(cc3)C#N)cc1C(=O)N	8BY	5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide
+Cc1cccc2c1[C@@H](CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO	8BZ	n-(2-hydroxyethyl)-n,2-dimethyl-8-[[(4r)-5-methyl-3,4-dihydro-2h-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide
+CCCC[C@@H](CC[C@@H](c1ccc(cc1)O)OC)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8C0	(1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},3~{s})-3-[(3~{s})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CC(C)Oc1cc2c(ccnc2cc1C(=O)N)O[C@@H]3CCCNC3	8C1	4-{[(3r)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide
+Cc1c(c(n[nH]1)C)CNC2CCCCC2	8C2	n-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]cyclohexanamine
+CCN(CC)CCCNC(=O)CN1C(=O)c2cc3c(n2C(=N1)C)ccs3	8C3	n-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide
+CONC(=O)C1=CN(c2c(cnc(n2)Nc3ccc(cc3)CCN4CCCC4)C1=O)C5CCCCC5	8C5	8-cyclohexyl-n-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([C@@H](P(=O)(O)O)Cl)O)O)O)N	8C6	[(r)-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-chloranyl-methyl]phosphonic acid
+CCCC[C@@H](CCC(=O)c1ccc(cc1)O)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8C9	(4~{s})-4-[(1~{r})-1-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one
+c1ccc(cc1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3	8CA	9-benzyl-2,3,4,9-tetrahydro-1h-carbazole-8-carboxylic acid
+Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O	8CB	(1'r,2'r)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol
+CNC(=O)c1cc(c[nH]1)c2ccncc2	8CC	n-methyl-4-pyridin-4-yl-1h-pyrrole-2-carboxamide
+CC(C)Oc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)cc1C(=O)N	8CD	1-{[(2s)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide
+Cc1c(n2ccc3c(c2n1)N[C@@H]([C@H]([C@@H]3OCCOC)O)c4ccccc4)C	8CE	soraprazan
+CCC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	8CF	n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
+CC[C@H]1[C@H](NC(=O)[C@H]1F)COc2c3cc(c(cc3ccn2)C(=O)N)OC	8CG	1-{[(2s,3s,4s)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide
+C[C@@H]1CCCN([C@@H]1C(=O)OC)S(=O)(=O)C	8CH	methyl (2s,3r)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate
+Cc1c(nc(nc1N2CCc3ccccc3[C@H]2C)Nc4ccc(cc4)F)C	8CK	n-(4-fluorophenyl)-4,5-dimethyl-6-[(1r)-1-methyl-3,4-dihydro-1h-isoquinolin-2-yl]pyrimidin-2-amine
+c1ccc(cc1)Cl	8CL	chlorobenzene
+c1cc2c(c(c1)O)OC(=O)C=C2	8CM	8-hydroxycoumarin
+C[C@H]1CCCCN1C(=O)[C@@H](C)N	8CN	(2r)-2-amino-1-[(2s)-2-methylpiperidin-1-yl]propan-1-one
+CC(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	8CO	n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O	8CP	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine
+CC(C)(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	8CR	n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide
+C1[C@@H]2[C@@H](C(=O)[C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)O[P@@](=O)(O1)O	8CS	(2r,4ar,5ar,11ar,12as)-8-amino-2-hydroxy-4a,5a,9,11,11a,12a-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridine-10,12(4h,6h)-dione 2-oxide
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C/C=C\C=C(/C)\C=C/C=C(\C)/C=C/[C@H]2C(=CCCC2(C)C)C)\C)/C	8CT	(6'r,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene
+CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Br)c3ccc(cc3)OC	8CU	n-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide
+[H]/N=C(/N)\N/C(=N/[H])/NCCc1ccccc1	8CV	n-(2-phenylethyl)imidodicarbonimidic diamide
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNC[C@@H](c3cccc(c3)F)F	8CX	6-{[(3r,4r)-4-(2-{[(2r)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O	8CY	ruthenocenyl-7-aminodesacetoxycephalosporanic acid, bound form
+Cc1c(scn1)C(=O)N(C)[C@@H](C)C2CC2	8CZ	n-[(1s)-1-cyclopropylethyl]-n,4-dimethyl-1,3-thiazole-5-carboxamide
+CC1([C@@H]2CC[C@H](C[C@H]2c3c(cc(cc3O1)C(C)(C)CCCCCCN=C=S)O)CO)C	8D0	(6~{a}~{r},9~{r},10~{a}~{r})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol
+[H]/N=C(/c1c(nn(n1)c2cccc(c2)C)N)\NCc3ccccc3OC	8D1	5-amino-n-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2h-1,2,3-triazole-4-carboximidamide
+CC1=CC[C@@H]2[C@@H](C1)c3c(cc(cc3OC2(C)C)C(C)(C)CCCCCCBr)O	8D3	(6ar,10ar)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
+c1ccc(cc1)c2c(nn[nH]2)C(=O)O	8D4	5-phenyl-1h-1,2,3-triazole-4-carboxylic acid
+c1cnccc1c2c[nH]c(c2Cl)C(=O)N	8D6	3-chloranyl-4-pyridin-4-yl-1h-pyrrole-2-carboxamide
+CCCC(CCC)COc1cccc(c1)[C@@H](CCN)O	8D7	(1r)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol
+C[C@H](C1CC1)NC(=O)C2C=CC=NC2=O	8D8	(3s)-n-[(1r)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide
+C1[C@H]([C@@H](O[C@@H]1N2C3=NCNC(=C3NC2=O)N)CO)O	8DA	8-oxodeoxyadenosine
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N	8DD	8-oxo-7,8-dihydro-2'-deoxy-adenosine-5'-diphosphate
+c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4	8DE	2,2-diphenyl-~{n}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	8DG	8-oxo-2'-deoxyguanosine-5'-triphosphate
+CC(C)N(C)S(=O)(=O)N1CCNC(=O)C1	8DH	n-methyl-3-oxo-n-(propan-2-yl)piperazine-1-sulfonamide
+c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)OCO5	8DJ	5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(pyridin-2-yl)methyl]benzamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N	8DM	n-(4-aminobenzene-1-carbonyl)-l-glutamic acid
+Cc1cc(cc(c1)n2cc(nn2)C)C	8DN	1-(3,5-dimethylphenyl)-4-methyl-1h-1,2,3-triazole
+Cc1cc2c(cc1N)[n+](c3c(n2)C(=O)NC(=O)N3)CC(=O)[C@H]([C@H](COP(=O)(O)O)O)O	8DP	8-demethyl-8-aminoriboflavin-5'-phosphate
+c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4	8DQ	8-phenyl-2-piperazin-1-yl-chromen-4-one
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cccc3c2nsn3	8DR	(s)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid
+c1cc(ccc1CCNC(=O)c2cc3c(s2)cncc3Cl)Cl	8DS	4-chloranyl-n-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide
+CC(=O)NC/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	8DT	 5-(3-(acetamide-n-yl)-1-propen-1-yl)-2'-deoxyuridine
+COc1ccc(cc1)c2c(noc2NC(=O)C3CC3)c4cc(c(cc4O)O)Cl	8DU	n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C6CC6	8DV	(r)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1h-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine
+C1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O	8DX	(2r,3ar,6s,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-6-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
+C[C@@H](CN(C)C)S(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3ccccc3)N	8DY	3-amino-6-(4-{[(2s)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-n-phenylpyrazine-2-carboxamide
+COc1cc(cc(c1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)c3cc(c(c(c3)OC)OC)OC	8DZ	(1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)
+c1cc(ccc1N/C=C\2/c3c(ccc4c3scn4)NC2=O)S(=O)(=O)N	8E1	4-{[(z)-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide
+CC(C)(C)OC(=O)COCCOCCOCCOCCNC(=O)COc1ccc(cc1)N2CCN(CC2)CCn3c4c(cn3)c5nc(nn5c(n4)N)c6ccco6	8E2	preladenant conjugate psb-2113
+c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(o3)CNCC4)F	8E3	6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide
+CCC[C@@H](CCO)COc1cccc(c1)[C@@H](CCN)O	8E4	(3s)-3-({3-[(1r)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol
+c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CCNC4)F	8E6	6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide
+CCCCCCCCCCNCCS	8E7	2-(decylamino)ethane-1-thiol
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N	8E8	1-[(3~{r})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
+Cc1cccc(c1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)O	8E9	1-amino-4-(3-methylphenyl)amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
+CCCCCCCCCCNCCSSCc1ccc(cc1)Cl	8EA	n-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine
+c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CNCC4)F	8EC	6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide
+Cc1ncc(c(n1)N)CN2CS[C@H](C2=C)CCOP(=O)(O)OP(=O)(O)O	8EF	2-[(5s)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate
+Cc1ccc(cn1)C(=O)N	8EJ	6-methylpyridine-3-carboxamide
+c1cc(cc(c1)CSC2=NC(=C(C(=O)N2)C#N)c3cccs3)CC(=O)O	8EK	2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1h-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid
+Cc1ncc(c(n1)N)CN2CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O	8EL	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2h-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+CCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccco6)C(=O)c7ccccc7	8EM	n-[(furan-2-yl)methyl]-n-(4-oxo-2-propyl-3-{[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide
+Cc1ccc(cc1c2ccc3nc(cn3c2)NC(=O)C)NC(=O)c4cccc(c4)C(F)(F)F	8EN	~{n}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
+Cc1ncc(c(n1)N)C[N+]2=C([C@@H](SC2)CCOP(=O)(O)OP(=O)(O)O)C	8EO	2-[(5s)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
+C1[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O	8EP	(2r,3ar,6r,7s,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
+CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O	8EQ	3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid
+CCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccccc6)C(=O)c7cccs7	8ES	n-benzyl-n-(2-ethyl-4-oxo-3-{[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide
+c1cc2c(cccn2)c(c1)NC(=O)c3cccnc3	8ET	~{n}-quinolin-5-ylpyridine-3-carboxamide
+CCP(=O)(O)OCc1ccc(cc1)[N+](=O)[O-]	8EU	ethyl-[(4-nitrophenyl)methoxy]phosphinic acid
+CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N	8EV	3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile
+CC(=CC(=O)O)CC(=O)O	8EW	3-methylpent-2-enedioic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O)O	8EX	2-acetamido-2-deoxy-4,6-di-o-sulfo-beta-d-galactopyranose
+Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N	8EY	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile
+C[C@H]1CCCC[C@H]1C(=O)O	8EZ	(1~{r},2~{s})-2-methylcyclohexane-1-carboxylic acid
+Cc1ccc(cc1)[C@H](C)Nc2ccc3c(c2)N([C@H](C(=O)N3C)C)C4CC4	8F0	(3~{s})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{s})-1-(4-methylphenyl)ethyl]amino]-3~{h}-quinoxalin-2-one
+Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N	8F1	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile
+c1ccc(cc1)[C@@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O	8F2	(r)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1h-2-carbonyl)benzenesulfonamide
+c1ccc(cc1)[C@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O	8F3	4-[[(1~{s})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]benzenesulfonamide
+C1CCNC(=O)[C@H](C1)N	8F4	(3~{s})-3-azanylazepan-2-one
+C[C@@H]1C2=C(C(C(=N2)/C=C\3/[C@H]([C@](C(=N3)/C(=C\4/[C@H]([C@]([C@@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)/CC=C)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O	8F5	3-[(1~{r},2~{s},3~{s},4~{z},7~{s},8~{s},9~{z},15~{r},17~{r},18~{r},19~{r})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid
+C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)N[C@H](C)c4ccccc4)C	8F6	(3~{r})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{r})-1-phenylethyl]amino]-3~{h}-quinoxalin-2-one
+Cc1cc(nc2c1ccc(c2)CCc3cc(cc(c3)C#N)CNC)N	8F7	3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile
+Cc1ccc(cc1)[C@H](C)Nc2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CC4	8F9	(3~{r})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{s})-1-(4-methylphenyl)ethyl]amino]-3~{h}-quinoxalin-2-one
+C[C@H]1[C@@H](C(N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C	8FB	(3~{s},4~{r},5~{s})-5-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[(3~{s},5~{s})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-4-methyl-pyrrolidine-2-carboxylic acid
+Cc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)N(C(C(=O)N3C)(C)C)C4CC4	8FC	~{n}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide
+Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N	8FD	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2s)-2-(methylamino)propyl]benzonitrile
+CCCC[C@@H](CCC(=O)c1ccc[nH]1)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8FF	(4~{s})-4-[(1~{r})-1-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]ethyl]-1-(1~{h}-pyrrol-2-yl)octan-1-one
+CC(=O)N(c1ccc-2c(c1)Cc3c2cccc3)c4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(NC5=O)N	8FG	n-(5'-phospho-2'-deoxyguanosin-8-yl)-2-acetylaminofluorene
+C(C(Cl)(Cl)Cl)O	8FH	2,2,2-tris-chloroethanol
+CN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)[C@@H]4CCCO4	8FK	(2~{s})-~{n}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide
+Cc1ncc(c(n1)N)CN2[C@@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)O	8FL	2-[(2r)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2h-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc(cc5)OC	8FM	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1ccc2c(c1)C(=O)N(c3ccc(cc3S2)c4nc(on4)c5cnccn5)C6CC6	8FN	5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one
+Cc1csc(n1)[C@H]2CCCN2C(=O)c3cccc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CN(CC(C)C)S(=O)(=O)c5ccc(cc5)OC)O	8FP	n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3-[(2r)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide
+[H]/N=C(\CF)/NCCC[C@@H](c1nc2c(n1C)cccc2OC)NC(=O)c3cccc4c3C(=O)NC4	8FQ	~{n}-[(1~{s})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide
+Cn1cc(nc1)Nc2c3cc(ccc3nc(n2)N4CCC(CC4)N)Cl	8FR	2-(4-azanylpiperidin-1-yl)-6-chloranyl-n-(1-methylimidazol-4-yl)quinazolin-4-amine
+C#Cc1ccc(cc1F)F	8FS	1-ethynyl-2,4-difluorobenzene
+[H]/N=C(\CF)/NCCC[C@@H](c1nc2c(n1C)cccc2OC)NC(=O)c3cccc4c3C(=O)N(C4)CC	8FT	2-ethyl-~{n}-[(1~{s})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{h}-isoindole-4-carboxamide
+Cc1cc(n[nH]1)Nc2c3cc(ccc3nc(n2)C(=O)N4CCN[C@@H](C4)C)Cl	8FU	[6-chloranyl-4-[(5-methyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3r)-3-methylpiperazin-1-yl]methanone
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(nc(nc4[nH]3)C)c5ccnc6c5cccc6	8FV	7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9h-pyrimido[4,5-b]indole
+[H]/N=C(\C)/NCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3cccc4c3C(=O)N=C4	8FW	~{n}-[(1~{s})-1-(1~{h}-benzimidazol-2-yl)-4-(ethanimidoylamino)butyl]-3-oxidanylidene-isoindole-4-carboxamide
+C[C@@H]1CN(CCN1)C(=O)c2nc3ccc(cc3c(n2)Nc4cc([nH]n4)C5CC5)Cl	8FX	[6-chloranyl-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3r)-3-methylpiperazin-1-yl]methanone
+CNc1nc2c(c(c[nH]2)c3ccc4c(c3)cccn4)c(n1)NCc5ncccn5	8FY	n~2~-methyl-n~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+c1cc(cnc1)Oc2ccc(o2)CN	8FZ	(5-pyridin-3-yloxyfuran-2-yl)methanamine
+c1cc(cc(c1)C(=O)O)C(=O)O	8G0	benzene-1,3-dicarboxylic acid
+c1cc2c(c(c1)C#N)[C@]3(CC2)NC(=O)C4=C5CCN(C(=O)C5=C(C(=O)N34)O)Cc6ccc(c(c6)Cl)F	8G1	(3r)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2h-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile
+COC(=O)c1ccc(cc1)C[NH3+]	8G2	(4-methoxycarbonylphenyl)methylazanium
+Cc1cc2nc(cc(n2n1)O)CCc3nc4ncccn4n3	8G3	2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-ol
+c1cc(c(cc1CN2CCC3=C4C(=O)N([C@]5(N4C(=O)C(=C3C2=O)O)CC[C@H]6[C@@H]5C6)CCN7C(=O)C=CC7=O)Cl)F	8G4	(1s,2s,5r)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione
+c1c(nc(s1)N)[C@H]2CC(=O)OC23CCCCC3	8G5	(4r)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
+Cc1cc2nccc(n2n1)c3ccc(cc3)Cl	8G6	7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine
+CC(=C[C@@H]1C[C@](OC2=C1C(=O)N(c3c2cccn3)C)(C)CCO)C	8G7	(2r,4s)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one
+Cn1cnc2c1nc(nc2)Cl	8G8	2-chloranyl-9-methyl-purine
+C[Se]C[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O	8GA	5-se-methyl-5-seleno-alpha-d-ribofuranose
+CC(=O)c1cc(cc(c1O)CCl)Cl	8GB	1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone
+C[n+]1cccc(c1)C(=O)N	8GC	3-carbamoyl-1-methylpyridin-1-ium
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O	8GD	2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate)
+c1ccc2c(c1)cc([nH]2)c3ccc(cc3)S(=O)(=O)N	8GE	4-(1~{h}-indol-2-yl)benzenesulfonamide
+Cc1nccc(n1)N	8GF	2-methylpyrimidin-4-amine
+C[Se]C[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O	8GG	5-se-methyl-5-seleno-beta-d-ribofuranose
+c1cnn(c1)Cc2ccc(cc2)c3ccc(cc3)S(=O)(=O)N	8GH	4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
+CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)O	8GI	1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea
+C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C	8GJ	(2r)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+c1ccc2c(c1)cccc2C(=O)NO	8GK	~{n}-oxidanylnaphthalene-1-carboxamide
+C(C[C@](C(=O)O)(N)O)C(=O)O	8GL	(2s)-2-azanyl-2-oxidanyl-pentanedioic acid
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)O	8GM	[(2r,3s,4r,5r)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC(=O)Nc1cc(ccc1N2CC[C@H](C2)N(C)C)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5	8GN	~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{r})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide
+CCN1c2c(ccc(n2)C)C3=C(C1=O)[C@@H](C[C@](O3)(C)CCO)C=C(C)C	8GO	(2r,4s)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one
+C1CC1NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	8GP	n-[(cyclopropylamino)(oxo)acetyl]-beta-d-glucopyranosylamine
+c1c2cc(c3c1CCC(=O)N3)OC/C=C/CO[C@H]4C[C@H](N(C4)c5cc(n6c(n5)c(cn6)C#N)N2)CO	8GQ	pyrazolo-pyrimidine macrocycle
+COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4cccc5)/C2=O	8GR	(2z)-2-(1h-indol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
+CC(C)n1cnnc1c2cccc(n2)N3Cc4ccccc4C3=O	8GS	2-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1h-isoindol-1-one
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O	8GT	8-oxo-guanosine-5'-triphosphate
+COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4nccc5)/C2=O	8GU	(2z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1h-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one
+CC(C)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OC[C@@H]5CN(CCO5)C	8GV	6-{[(2s)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1h-isoindol-1-one
+COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4ccnc5)/C2=O	8GX	(2z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1h-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one
+C[C@H](CO)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OC(C)C	8GY	2-(6-{4-[(2r)-1-hydroxypropan-2-yl]-4h-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1h-isoindol-1-one
+CCCc1cc2cnc(nc2c(c1)OC3CCNCC3)Nc4ccc5cn[nH]c5c4	8H0	n-(1h-indazol-6-yl)-8-piperidin-4-yloxy-6-propyl-quinazolin-2-amine
+COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C@H](Cc5ccccc5)N	8H1	2-(5-{[(2s)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine
+c1cc2c(cc1N)cn[nH]2	8H4	1~{h}-indazol-5-amine
+CC(=C[C@@H]1n2c3cc(ccc3c4c2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)OC)C	8H5	verruculogen
+CCC(=O)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O	8H6	s-[2-[3-[[(2r)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2r)-2-methyl-3-oxidanylidene-pentanethioate
+c1cc(c(cc1O)F)C#N	8H8	2-fluoro-4-hydroxybenzonitrile
+C[C@@H](C(=O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	8HB	(2~{s})-2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid
+c1cc2ccc(nc2c(c1)O)C(=O)O	8HC	8-hydroxyquinoline-2-carboxylic acid
+Cc1coc(n1)CN(C)C(=O)c2cccc(c2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)CO)O	8HD	n~3~-{(2s,3r)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-n~1~-methyl-n~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide
+c1cc(ccc1C#N)c2ccc(cc2)S(=O)(=O)N	8HE	4-(4-cyanophenyl)benzenesulfonamide
+CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccc(cc4)C(C)(C)O	8HF	propyl (2~{r})-4-[4-chloranyl-2-[4-(2-oxidanylpropan-2-yl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O	8HG	2'-deoxy-8-oxoguanosine
+CCNc1cc(nc2n1ncc2)c3cccnc3	8HH	~{n}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine
+CC(C)n1c(c(c(c1C(=O)Nc2ccc(cc2)S(=O)(=O)N)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O	8HI	(3r,5r)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1h-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid
+c1cc2c(cc1O)NC(=O)CC2	8HJ	7-oxidanyl-3,4-dihydro-1~{h}-quinolin-2-one
+c1cc(cnc1)c2ccc(cc2)S(=O)(=O)N	8HK	4-pyridin-3-ylbenzenesulfonamide
+CCCCCCCc1cc(cc(c1C(=O)O)O)O	8HL	2-heptyl-4,6-bis(oxidanyl)benzoic acid
+COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)CC5CCOCC5)-c6ncnn6C2=O	8HM	6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one
+c1cc2c(cc1Nc3cc(nc4n3ncc4C#N)N5CCC[C@H]5CC(=O)O)CCC(=O)N2	8HN	2-[(2~{s})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid
+Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3	8HO	2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid
+c1cc(ccc1CN2c3c(c4c(s3)CCCC4)-c5ncnn5C2=O)Cl	8HP	6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one
+c1cc2c(ccnc2c(c1)O)C(=O)O	8HQ	8-hydroxyquinoline-4-carboxylic acid
+CCCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccccc4	8HR	propyl 4-(4-chloranyl-2-phenyl-quinolin-7-yl)carbonylpiperazine-1-carboxylate
+CC1(O[C@@H]([C@@H](O1)C(=O)NO)COP(=O)(O)O)C	8HS	[(4r,5r)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate
+[H]/N=C(\CF)/NCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3ccc(cc3)c4ccccc4	8HT	~{n}-[(1~{s})-1-(1~{h}-benzimidazol-2-yl)-4-(2-fluoranylethanimidoylamino)butyl]-4-phenyl-benzamide
+CC(C)(C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccc(cc4c3)F)O	8HV	5-fluoro-n-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2h-isoindole-2-carboxamide
+Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4F)CNCC(=O)CC(=O)O)F	8HW	4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid
+c12c([nH]c(n1)O)NC(=O)NC2=O	8HX	8-hydroxy-3,9-dihydro-1h-purine-2,6-dione
+c1ccc(cc1)CCCNC(=O)c2ccc(cc2)NC(=O)n3cc4ccccc4c3	8HY	n-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2h-isoindole-2-carboxamide
+Cc1ccc(cc1)Nc2c(nc3n2cccc3C)c4ccc(cc4)O	8HZ	4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol
+COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C@@H](Cc5ccccc5)N	8I1	2-(5-{[(2r)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine
+C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)Cc2ccc(cc2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)Cc4ccc(cc4)N5CCOCC5)CC(C)C)C	8I2	(3~{s},6~{r},9~{s},12~{r},15~{s},18~{r},21~{s},24~{r})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
+CCCCCCCCCc1cc(cc(c1C(=O)O)O)O	8I6	2-nonyl-4,6-bis(oxidanyl)benzoic acid
+CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	8I9	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] tridecanethioate
+c1cc(c(cc1C(=O)O)O)C(=O)O	8IB	2-hydroxyterephthalic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4I)O)O)O)O)C(=O)N	8ID	nicotinamide-8-iodo-adenine-dinucleotide
+Cc1nnc2n1c(nc3c2scc3)N4Cc5ccccc5[C@H](C4)C	8IE	(4r)-3-methyl-5-[(4r)-4-methyl-3,4-dihydroisoquinolin-2(1h)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
+c12c([nH]c(n1)I)N=C(NC2=O)N	8IG	8-iodo-guanine
+[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCCNC(=O)COCCOCCOCCOCCNC(=O)COc4ccc(cc4)N5CCN(CC5)CCn6c7c(cn6)c8nc(nn8c(n7)N)c9ccco9)C)C)(F)F	8IM	2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{n}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide
+Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N	8IN	[3-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-propyl-]-phosphonic acid
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCC	8IO	[(2r)-2-[(z)-hexadec-9-enoyl]oxy-3-[oxidanyl-[(2s,3r,5r,6s)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octadecanoate
+c1cc(cc(c1)c2cccnc2)CNc3cccnc3N	8IP	n~3~-(3-pyridin-3-ylbenzyl)pyridine-2,3-diamine
+COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccccc3Cl)c4ccncn4	8IR	n-{4-[(2-chlorophenyl)(pyrimidin-4-yl)carbamoyl]phenyl}-4-methoxybenzamide
+CN(C)[C@@H]1CCN(C1)c2cc(nc3n2ncc3)c4ccccc4	8IU	(3r)-n,n-dimethyl-1-[(8s)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine
+C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)N[C@H](Cc4ccccc4)C(=O)O)C	8IX	n-[(1r,3r,5s,7r)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl]-d-phenylalanine
+C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C	8J0	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,6s)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+Cc1cc(nc2c1ccc(c2)COc3cccc(c3)CNC)N	8J1	4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cccc(c3)NC(=O)C)NC(=O)OC(C)C	8J2	propan-2-yl ~{n}-[(2~{s},4~{r})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{h}-quinolin-4-yl]carbamate
+C[C@H](CC#C[C@@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C	8J3	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,6r)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC	8J4	7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine
+CC1(CC(CC(N1)(C)C)Nc2nc(cs2)c3cccc(c3)c4ccccc4)C	8J6	4-(3-phenylphenyl)-n-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine
+Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N	8J7	4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine
+Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CNCCNC(=O)C)OC	8J8	~{n}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide
+CCCC[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O	8J9	(2~{s})-2-[[(2~{s})-1-[[(2~{s})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid
+C1[C@H](ON=C1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	8JB	(2~{r})-2-azanyl-3-[[(5~{s})-5-[(1~{s})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic acid
+CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4cccc(c4)NC(=O)C=C)C(F)(F)F	8JC	n-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
+CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	8JD	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3r)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
+Cn1c2ccc(cc2cn1)[C@H](c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O	8JE	5-(4-fluorophenyl)-~{n}-[[3-[(~{s})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide
+Cc1cccc(c1C)c2c3cccnc3cc(n2)NC(=O)C	8JF	n-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)O)(C)C(=O)O	8JG	(7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid
+CC(C)C[C@@H](C(=O)NCCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O	8JH	~{n}-[(2~{s})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+c1ccc(cc1)[C@@H](C(=O)O)NC(=O)CCC(=O)O	8JI	n-succinyl-l-phenylglycine
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)O)(C)C(=O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O	8JJ	5'-o-[(r)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine
+COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cc(ccc3F)C(=O)O	8JL	4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
+CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc4c(c3)cn[nH]4	8JM	4-[2-amino-4-ethyl-5-(1h-indazol-5-yl)pyridin-3-yl]phenol
+CCCCN1C(=O)c2c(nc([nH]2)C34C[C@@H]5C[C@H](C3)CC4C5)N(C1=O)/C=C/CO	8JN	1-butyl-3-[(~{e})-3-oxidanylprop-1-enyl]-8-[(1~{r},5~{s})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{h}-purine-2,6-dione
+COc1ccc(c2c1cccc2)S(=O)(=O)Nc3ccc(c(c3)C(=O)O)F	8JO	2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
+CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc(nc3)C(=O)NC	8JP	6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-n-methyl[3,3'-bipyridine]-6-carboxamide
+CC(C)C[C@@H](C(=O)NCCN)NP(=O)(CNC(=O)OCc1ccccc1)O	8JQ	~{n}-[(2~{s})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cccc(c3F)C(=O)O	8JR	2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
+c1cc(ccc1NC(=S)Nc2ccc(cc2)S(=O)(=O)N)F	8JS	4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide
+c1cc2c(cc1C[NH2+]C3CCCC3)OCO2	8JT	1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium
+O1[Fe]S[Fe]2S[Fe]3[S]2[Fe]1S3	8JU	fe4-s4-o cluster
+Cc1ccc(cc1)[C@H]2CC[C@H](N2C(=O)CN[C@@H](CCc3ccccc3)C(=O)O)C(=O)O	8JV	(2~{s},5~{r})-5-(4-methylphenyl)-1-[2-[[(2~{s})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid
+C1=C(C(=O)NC=C1C(F)(F)F)N	8JW	3-azanyl-5-(trifluoromethyl)-1~{h}-pyridin-2-one
+COc1ccc(c2c1cccc2)S(=O)(=O)NCCCCC(=O)O	8JX	5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid
+CCCCCCC(=O)Oc1c(c(c(c(c1OP(=O)(O)OC[C@@H](COCCCCCC)OC(=O)CCCCC)O)O)O)O	8JY	[2-[[(2~{r})-2-hexanoyloxy-3-[(~{e})-hex-3-enoxy]propoxy]-oxidanyl-phosphoryl]oxy-3,4,5,6-tetrakis(oxidanyl)phenyl] (2~{e},4~{e})-hepta-2,4-dienoate
+CCCCOC(=O)C	8JZ	butyl acetate
+c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O)O	8K0	5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O	8K1	5'-o-[(r)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine
+c1cc(sc1S(=O)(=O)N)Cl	8K2	5-chloranylthiophene-2-sulfonamide
+COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F	8K4	2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone 
+c1cc(ccc1CSC(=[NH2+])N)Cl	8K5	[azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium
+CCCCCCCCCCCCCCCCCC	8K6	octadecane
+COC12C[C@H]3CC(C1)C[C@@H](C2)C3(CC(=O)N4CC(C4)O)c5ccc(cc5)F	8K7	1-(3-hydroxyazetidin-1-yl)-2-[(2s,5r)-2-(4-fluorophenyl)-5-methoxyadamantan-2-yl]ethan-1-one
+CCCCN1C(=O)c2c(nc([nH]2)C34C[C@@H]5C[C@H](C3)CC4C5)N(C1=O)CCCO	8K8	1-butyl-3-(3-oxidanylpropyl)-8-[(1~{r},5~{s})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{h}-purine-2,6-dione
+CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OC[C@@H](CN2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)O	8K9	(1~{r},9~{s})-11-[(2~{r})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one
+c1cc(ccc1c2ccc(cc2)F)C3(C4CC5CC3CC(C4)C5O)CC(=O)N6CC(C6)O	8KA	2-[(1r,3s,5r,7s)-2-[4-(4-fluorophenyl)phenyl]-6-hydroxyadamantan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one
+C1COC[C@@H](CN1)O	8KB	(6~{r})-1,4-oxazepan-6-ol
+CCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O	8KC	(2~{s})-2-[[(2~{s})-1-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid
+c1ccc(cc1)CC2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O	8KD	2-(2-benzyl-6-hydroxyadamantan-2-yl)-1-(3-hydroxyazetidin-1-yl)ethan-1-one
+c1ccc(cc1)C2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O	8KG	2-[(5r,7s)-6-hydroxy-2-phenyladamantan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCNC(=O)c4ccc(cc4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C6C(F)(F)F)N7CCN(CC7)C)O	8KH	n-[5-[4-[[5-[[(2s)-3,3-dimethyl-1-[(2s,4r)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1h-pyridine-3-carboxamide
+CC(C)C[C@@H](C(=O)NCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O	8KK	~{n}-[(2~{s})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+COc1ccc2cc-3[n+](cc2c1OCCC[n+]4cccc5c4cccc5)CCc6c3cc7c(c6)OCO7	8KL	9-o-3'-quinolinium propylberberine
+Cc1ccc(cc1)CS(=O)(=O)Nc2ccc(c(c2)C3CC3)C#N	8KM	n-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide
+CC(C)C[C@@H](C(=O)N[C@@H](CCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	8KN	(2~{s})-5-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid
+CC(C)C[C@@H](C(=O)NO)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O	8KO	(2s)-2-[[(2s,3r)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-n-oxidanyl-pentanamide
+CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(cc2)C	8KP	n-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide
+Cc1ccccc1NC(=O)N[C@H](CC(C)C)C(=O)NO	8KR	(2r)-4-methyl-2-[(2-methylphenyl)carbamoylamino]-n-oxidanyl-pentanamide
+c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O	8KS	(1s,2s,3s,4s)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid
+c1ccc2c(c1)C[C@H](O2)CNC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O	8KU	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-{[(2s)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide
+C[C@@H](c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3	8KV	n-{(1s)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-n'-phenylurea
+COc1cc(cc(c1)O)CCc2ccccc2O	8KW	3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)Nc4ccc(cc4)C(F)(F)F	8KX	3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{n}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OCC(=O)O)Cl	8KY	{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid
+CC(C)C[C@@H](C(=O)NO)NC(=O)NCc1cccc(c1)Cl	8L0	(2s)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)c3nc(cs3)C(F)(F)F)Cl	8L1	n-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-n'-(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)urea
+CC(C)C[C@@H](C(=O)N[C@@H](CN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	8L2	(2~{s})-3-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid
+c1cc(cnc1)OCC2(CCNCC2)Cc3ccc(c(c3)Cl)Cl	8L3	3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine
+[H]/N=C(/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Cl)\NO	8L4	3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-n-hydroxybenzene-1-carboximidamide
+[H].[H].[H].CC(C)C[C@@H](C(=O)NCN)NP(=O)(CNC(=O)OCc1ccccc1)O	8L5	~{n}-[(2~{s})-1-(aminomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid;hydrogen
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl	8L7	n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-d-ribofuranosylamine
+c1ccc(cc1)c2ccc(cc2)/C=C\C[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	8L8	(2r,3s,4r,5s,6r)-2-(hydroxymethyl)-6-[(z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol
+Cc1cc(c(cc1NS(=O)(=O)c2ccc(cc2C(=O)O)NS(=O)(=O)c3cc(cc(c3)Cl)Cl)Br)F	8L9	5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)O[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl	8LA	n-[4-chloro-3-(alpha-d-ribofuranosyloxy)phenyl]-n'-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
+CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	8LB	(2~{s})-6-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid
+c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=O)c2cccc(c2O)O	8LC	n,n'-octane-1,8-diylbis(2,3-dihydroxybenzamide)
+C(#COC#CO)O	8LD	2,2'-oxydi(ethyn-1-ol)
+CC(C)(C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	8LE	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate
+Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O	8LF	~{n}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide
+c1cc(c(nc1)O)O	8LG	pyridine-2,3-diol
+C[C@H](CO)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	8LH	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{r})-2-methyl-3-oxidanyl-propanoate
+CC(C)CC(=O)C1=N/C(=C(/O)\S)/C(=O)O1	8LI	(4z)-4-[hydroxy(sulfanyl)methylidene]-2-(3-methylbutanoyl)-1,3-oxazol-5(4h)-one
+C1C=CN[C@@H]1C(=O)O	8LJ	(2s)-2,3-dihydro-1h-pyrrole-2-carboxylic acid
+CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)CO)O	8LK	pyrrolo-dc
+CCCCCCOCCOCCNS(=O)(=O)c1cccc2c1cccc2N(C)C	8LL	5-(dimethylamino)-~{n}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide
+CC(C)C(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3)O	8LM	2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-d-galacto-non-2-enoni  c acid
+Cc1c(cn(n1)C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	8LN	5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-n-(3-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine
+CCc1cccc(c1NC(=O)N[C@H](CC(C)C)C(=O)NO)CC	8LO	(2r)-2-[(2,6-diethylphenyl)carbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+c1ccc(cc1)CN2C=C3CN(C(=O)NC3=CC2=O)c4cccc(c4)OCc5ccccc5	8LP	6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1h,3h)-dione
+C[C@@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	8LQ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (3~{s})-3-oxidanylbutanoate
+C(CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O	8LR	2-hydroxyethyl alpha-d-mannopyranoside
+Cc1cc2c(cc1N3CC4=CN(C(=O)CC4=NC3=O)Cc5ccccc5)O[C@H](CC2)c6c(cccn6)F	8LS	6-benzyl-3-[(2r)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2h-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3h,8h)-dione
+c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OCCCN4CCOCC4)NC(=O)[C@H]5CCCN5C(=O)CF)Cl)F	8LU	(2r)-n-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide
+c1cc(cc(c1)C(=O)O)c2ccc(o2)CC3=C(N4C(=NC3=O)S[C@@H](N4)C5CCCCC5)N	8LV	3-(5-{[(2r)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid
+Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5)C3=O)N(C(=O)N2C)C	8LW	2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
+CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3cc(ncn3)Oc4ccc(cc4)OC	8LX	(5s)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
+c1cc(c(cc1Cl)c2cc(ccn2)Nc3ccnc4c3nn(c4)CC5CCNCC5)F	8LY	n-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2h-pyrazolo[4,3-b]pyridin-7-amine
+c1cc2c(cc1[C@@H]3CCC[NH2+]3)OCCO2	8LZ	(2~{s})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium
+[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-]	8M0	bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (vi)
+CC(=O)N(c1ccc(cc1)c2cnn(c2)C)C3CCC(CC3)Nc4ncc5ccccc5n4	8M1	n-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-n-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide
+c1cscc1C(=[NH2+])N	8M2	[azanyl(thiophen-3-yl)methylidene]azanium
+COc1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O	8M4	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid
+Cn1cc(c2c1cccc2)C(=O)Nc3ccccc3	8M5	1-methyl-n-phenyl-indole-3-carboxamide
+Cc1c(cccn1)NC(=O)CSC2=Nc3c(c4c(s3)CN(CC4)C(=O)C)C(=O)N2Cc5ccco5	8M6	2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{n}-(2-methylpyridin-3-yl)ethanamide
+CCC(CC)C(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	8M7	n-[(2z,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2h-pyran-3-yl]-2-ethylbutanamide
+Cc1c(c(sc1C#N)c2nc[nH]n2)C	8M8	3,4-dimethyl-5-(1~{h}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile
+Cc1cnc(c(c1OC)C)Cn2c3c(cn2)c(nc(n3)N)Cl	8M9	4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
+c1cc(nc(c1)C(=O)Nc2ccc(cc2Nc3ccc(cc3)F)C(=O)O)CC4CCCCC4	8MA	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid
+Cc1ccc(cc1)/C=C/C(=O)O	8MB	(~{e})-3-(4-methylphenyl)prop-2-enoic acid
+COc1ccc2c(c1)OC(=O)C=C2CC(=O)O	8MC	(7-methoxy-2-oxo-2h-chromen-4-yl)acetic acid
+C=C[C@H]1CCC([C@H](C1)O)O	8MD	(1s,2s,4s)-4-ethenylcyclohexane-1,2-diol
+C[C@@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	8ME	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(pyridin-2-yl)ethyl]propanamide
+c1c(c(cc2c1OCO2)Br)Cn3c4c(cn3)c(nc(n4)N)Cl	8MF	1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine
+Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	8MG	8-methyl-2'-deoxyguanosine-5'-monophosphate
+CCCCCCOCCOCCNC(=O)CCN1C(=O)c2cccc3c2c(ccc3NNN)C1=O	8MH	3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-n-[2-(2-hexoxyethoxy)ethyl]propanamide
+C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2	8MI	n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)glycyl-l-arginine-n-phenylamide
+c1cc2ccc(nc2c(c1)O)C=O	8MJ	8-oxidanylquinoline-2-carbaldehyde
+CC(=O)/C=C/c1ccc(cc1)O	8MK	(~{e})-4-(4-hydroxyphenyl)but-3-en-2-one
+Cc1ncc(c(n1)N)CN2C(SC(C2=C)CCOP(=O)(O)OP(=O)(O)O)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O	8ML	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-2-[(2s,3s,4r,5r)-1,2,3,4,5-pentakis(oxidanyl)-6-phosphonooxy-hexan-2-yl]-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate
+CC(=O)N[C@@H]1CC[C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)CN	8MM	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranoside
+c1cc(ccc1SCC(=O)NN)Cl	8MN	2-(4-chlorophenyl)sulfanylethanehydrazide
+COc1c2c(cco2)cc3c1OC(=O)C=C3	8MO	methoxsalen
+CCCC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O	8MP	n-[(3s,4r,5r,6s)-4,5,6-trihydroxyazepan-3-yl]butanamide
+CC(C(=O)c1c[nH]c2c1cccc2)N3CCCCCC3	8MQ	2-(azepan-1-yl)-1-(1~{h}-indol-3-yl)propan-1-one
+COc1ccc(cc1)S(=O)(=O)[C@H](CC(=O)O)C(F)F	8MR	(3r)-4,4-difluoro-3-[(4-methoxyphenyl)sulfonyl]butanoic acid
+CCCCCCOCCOCCOCCN[C@@H](c1ccc(cc1)NNN)O	8MS	(r)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol
+c1c(c(sc1C(=O)NN)Br)Br	8MT	4,5-bis(bromanyl)thiophene-2-carbohydrazide
+CC(=O)OCc1ccc(o1)C=O	8MV	(5-formylfuran-2-yl)methyl acetate
+Cc1c2c(nc(nc2sc1C(=O)O)C3CC3)C	8MW	2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid
+Cc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O	8MX	1-cyclopropyl-6-fluoro-8-methyl-7-[(4as,7as)-octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(ccc1C#N)Nc2nc(cc(n2)n3ccc(n3)CO)N	8MY	4-({4-amino-6-[3-(hydroxymethyl)-1h-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile
+c1cc2c(cc1c3csc(n3)N)NC(=O)N2	8MZ	5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
+c1cc(c(nc1)Br)O	8N0	2-bromanylpyridin-3-ol
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)Cl	8N1	n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-xylofuranosylamine
+COc1cccc(c1OC)/C=C/C(=O)O	8N2	(~{e})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
+Cc1cccc(c1)CNC(=O)N[C@H](CC(C)C)C(=O)NO	8N3	(2r)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-n-oxidanyl-pentanamide
+c1cc(cc(c1)OC(F)(F)F)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O	8N4	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid
+c1ccc2c(c1)CSC3=C2NNC3=O	8N5	2,5-dihydro-1~{h}-isothiochromeno[4,3-c]pyrazol-3-one
+CCc1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3	8N6	(5s)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
+c1cc(nc(c1)C(=O)Nc2ccc(cc2OC3CCOCC3)c4[nH]nnn4)CC5CCCCC5	8N7	6-(cyclohexylmethyl)-n-{2-[(oxan-4-yl)oxy]-4-(1h-tetrazol-5-yl)phenyl}pyridine-2-carboxamide
+c1c(c(c(s1)C(=O)O)Br)Br	8N8	3,4-bis(bromanyl)thiophene-2-carboxylic acid
+Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\CO)/O)CCOP(=O)(O)OP(=O)(O)O)C	8N9	2-[(2e)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[1,2-bis(oxidanyl)ethylidene]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	8NA	alpha-diphosphopyridine nucleotide
+CC(=O)Nc1ccc(c(c1)Cl)OC	8NB	~{n}-(3-chloranyl-4-methoxy-phenyl)ethanamide
+COc1ccc(cc1F)NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)C	8NC	(3r,4r)-1-methanesulfonyl-pyrrolidine-3,4--dicarboxylic acid 3-[(3-fluoro-4-methoxy-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COCCN)OC(=O)CCCCCCCCCCCCCCC	8ND	(2s)-3-(2-aminoethoxy)propane-1,2-diyl dihexadecanoate
+c1cc(ccc1C(=[NH2+])N)C(F)(F)F	8NE	[azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium
+Cc1cc(ncc1N)C	8NF	5-amino-2,4-dimethylpyridine
+CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)Oc4ccc(cc4F)F	8NG	n-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide
+Cc1c(ccc(c1Cl)C#N)N2C(=O)[C@@H]3[C@@H](CCN3C2=O)O	8NH	2-chloro-4-[(7r,7as)-7-hydroxy-1,3-dioxotetrahydro-1h-pyrrolo[1,2-c]imidazol-2(3h)-yl]-3-methylbenzonitrile
+CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4	8NJ	6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	8NK	7-methylguanosine 5'-diphosphate
+Cc1c(cccc1c2ccccc2)COC(=O)[C@H]3C(C3(C)C)/C=C(\C(F)(F)F)/Cl	8NL	(2-methyl-3-phenyl-phenyl)methyl (1~{s})-3-[(~{e})-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
+CN1C=C(c2cc[nH]c2C1=O)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C	8NM	n-[3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide
+c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)O	8NN	(1-chloro-4-hydroxyisoquinoline-3-carbonyl)-l-tryptophan
+c1ccc(cc1)CCOc2cccc(c2)Nc3ccccc3C(=O)N	8NO	2-[[3-(2-phenylethoxy)phenyl]amino]benzamide
+CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3	8NP	3-methyl-5-(2-phenoxyphenyl)pyridin-2(1h)-one
+c1ccc2c(c1)c(nn2CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(n5)Br)C(=O)N	8NQ	1-[2-[(1~{r},3~{s},5~{r})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide
+CCOC(=O)N1CCN(CC1)C(=O)c2ccc3cc4c(nc3c2)CCCC4	8NR	ethyl 4-(5,6,7,8-tetrahydroacridin-3-ylcarbonyl)piperazine-1-carboxylate
+CCS(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C	8NS	7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one
+C1CSS[C@H]1CCCCC(=O)NCCCS(=O)(=O)O	8NT	3-[5-[(3~{s})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid
+CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F	8NU	3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
+CC(C)S(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C	8NV	7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one
+C1CSS[C@H]1CCCCC(=O)NCCCO	8NW	5-[(3~{s})-1,2-dithiolan-3-yl]-~{n}-(3-oxidanylpropyl)pentanamide
+c12c(nc([nH]1)[N+](=O)[O-])NC(=O)NC2=O	8NX	8-nitro-3,7-dihydro-1h-purine-2,6-dione
+c1cc2c(cc1I)cn[nH]2	8NY	5-iodanyl-1h-indazole
+c1cc2c(cc1Br)c(c[nH]2)C(=O)O	8NZ	5-bromanyl-1~{h}-indole-3-carboxylic acid
+C[C@@]1([C@@H](C[C@H]2[C@@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)Cl)C=C	8O0	hapalindole a
+CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)NCC4CC4	8O1	4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCNC(=O)C2)N	8O3	(r)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)piperazin-2-one
+CN1C=C2c3cc(ccc3N(Cc4c2c([nH]c4)C1=O)CC5CC5)CS(=O)(=O)C	8O4	7-(cyclopropylmethyl)-2-methyl-10-[(methylsulfonyl)methyl]-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one
+c1ccc(cc1)CNC(=O)[C@@H]([C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H](CC3CC3)NC(=O)/C=C/c4ccccc4)O	8O5	(2~{r},3~{s})-3-[[(2~{s})-3-cyclopropyl-2-[[(~{e})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-~{n}-(phenylmethyl)butanamide
+c1cc(ccc1CSC2=NC3=C(CCC3)C(=O)N2)c4ccc(cc4)S(=O)(=O)NCCN	8O7	n-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonami de
+CN(Cc1cccc2c1ccnc2)C(=O)c3ccccc3[C@H]4CCNC4	8O8	~{n}-(isoquinolin-5-ylmethyl)-~{n}-methyl-2-[(3~{r})-pyrrolidin-3-yl]benzamide
+CC(C)[C@H](C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3	8OA	(r)-n-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide
+c1cc(ccc1O)Oc2c(cc(cn2)Cl)Cl	8OB	4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N	8OD	[(2r,3s,4r,5r)-5-(6-azanyl-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
+c1cc(ccc1N)Oc2c(cc(cn2)Cl)Cl	8OE	4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline
+COc1ccc(cc1)Nc2ccnc3c2cccc3	8OF	n-(4-methoxyphenyl)quinolin-4-amine
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O	8OG	8-oxo-2'-deoxy-guanosine-5'-monophosphate
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cccs4)N	8OH	2-phenyl-~{n}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine
+CC(C)[C@@H](C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3	8OJ	(s)-n-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide
+c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccc(cc4)N5CCOCC5)N	8OK	2-(4-morpholin-4-ylphenyl)-~{n}4-(2-phenylethyl)quinazoline-4,7-diamine
+CC(C)(C)OC[C@H]1C(=O)NCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N	8OL	(s)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one
+CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3	8OM	(s)-3-methyl-2-(4'-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-ylsulfonamido)butanoic acid
+CC(=O)N1CCN(CC1)c2ccc(cc2)c3nc4cc(ccc4c(n3)NCCc5ccccc5)N	8ON	1-[4-[4-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]piperazin-1-yl]ethanone
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	8OP	[(2r,3s,4r,5r)-5-(6-azanyl-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H]1[C@]([C@H]([C@H](O1)O)O)(C(=O)O)O	8OQ	alpha-d-aceric acid
+CS(=O)(=O)c1ccc(cc1)Nc2c3c(nc(n2)N[C@H]4CCCC[C@@H]4N)C=CNC3=O	8OR	2-[[(1s,2s)-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6h-pyrido[4,3-d]pyrimidin-5-one
+Cc1c([nH]cn1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	8OS	5'-o-[(s)-hydroxy(4-methyl-1h-imidazol-5-yl)phosphoryl]guanosine
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NCCc4cccs4)N	8OT	2-phenyl-~{n}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine
+Cn1c2ccc(cc2cn1)Nc3c4c(nc(n3)N5CCC(CC5)O)CC=NC4=O	8OU	4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8h-pyrido[4,3-d]pyrimidin-5-one
+CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C(=O)C)C(F)(F)F	8OV	n-(3-{[2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]amino}phenyl)propanamide
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4ccc(cc4)F)N	8OW	~{n}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	8OX	6-azanyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7h-purin-8-one
+c1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O	8OY	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-(phenylamino)benzoic acid
+C=C(c1ccccc1)C(=O)O	8OZ	2-phenylacrylic acid
+c1cc2ccc3cccc4c3c2c(c1)cc4	8P0	pyrene
+c1cc2c(cc1N)CCCC2=O	8P1	6-azanyl-3,4-dihydro-2~{h}-naphthalen-1-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1O2)O)O)O)[N+]#N	8P2	[(1~{r},2~{r},3~{r},4~{s},5~{r},6~{s})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium
+c1ccc2c(c1)CC(=O)N2Cc3ccccc3C(=O)O	8P3	2-[(2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoic acid
+c1cc(ccc1NC(=S)N)F	8P4	1-(4-fluorophenyl)thiourea
+C(CCN=[N+]=N)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	8P5	azanylidene-[4-[[(1~{s},2~{r},3~{r},4~{r},5~{s},6~{s},7~{s})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-bicyclo[4.1.0]heptanyl]carbonylamino]butylimino]azanium
+C[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)C=C	8P6	hapalindole u
+Cc1[nH]c2ccccc2n1	8P7	2-methyl-1~{h}-benzimidazole
+[C+2]12345[Fe]6[S-]7[Fe]18S[Fe]29[S-]1[Fe]3[S-]2[Fe]1[S-]9[Fe]42S[Fe]51[S-]6[V]7[S-]81	8P8	c fe7 s8 v
+Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Cl	8P9	5-chloranyl-2-methoxy-n-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](\C=C\c3cccnc3)O)CCO[P@](=O)(O)OP(=O)(O)O	8PA	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1s,2e)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium
+c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	8PC	2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC	8PE	(2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate
+C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	8PF	pentadecafluorooctanoic acid
+CCCCC[C@@H](\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)O)O	8PG	(8s,12s)-15s-hydroxy-9-oxoprosta-10z,13e-dien-1-oic acid
+CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-]	8PH	hydrogen [(1r)-2-(3-decyl-1h-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate
+c1cc(c(nc1)O)[N+](=O)[O-]	8PJ	3-nitropyridin-2-ol
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OC)O)O[C@H](C)O	8PK	4-o-[(1r)-1-hydroxyethyl]-2-o-methyl-alpha-l-fucopyranose
+C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)F)C(=O)O	8PL	(2r)-2-(4-fluorophenyl)-2-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid
+CCCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1nsn2)N(C)C	8PM	n~2~-{[7-(dimethylamino)-2,1,3-benzothiadiazol-4-yl]sulfonyl}-n-hexyl-n~2~-methylglycinamide
+C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)O)C(=O)O	8PO	(2r)-2-(4-hydroxyphenyl)-2-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid
+CC(=CCCC(=CCC/C(=C/CC/C(=C/CCC(=CCC/C(=C/CCC(=CCCC(=CCc1ccccc1O)C)C)/C)C)/C)/C)C)C	8PP	2-[(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]phenol
+Cc1c(c(n[nH]1)C)Br	8PQ	4-bromanyl-3,5-dimethyl-1~{h}-pyrazole
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F	8PR	paroxetine
+CCCCCCCCc1ccc(c(c1)O)Oc2ccccc2	8PS	5-octyl-2-phenoxyphenol
+Cc1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)[nH]cn3)N5CCOCC5	8PT	~{n}6-cyclohexyl-~{n}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{h}-purine-2,6-diamine
+Cc1c2cc(c(cc2on1)O)NS(=O)(=O)c3cc(ccc3OC)Br	8PU	5-bromanyl-2-methoxy-n-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide
+c1ccc(cc1)CNC(=O)c2cccc(c2)NCc3[nH]c(nn3)c4ccncc4	8PV	n-benzyl-3-({[5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)benzamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C)S(=O)(=O)c4ccc(cc4C(F)(F)F)OCC(F)(F)F	8PW	(2s,4r)-n-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
+Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Br	8PX	5-bromanyl-2-methoxy-n-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide
+CC(=O)N(c1cc2ccc3cccc4c3c2c(c1)cc4)c5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N	8PY	[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	8PZ	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(3~{s})-3-azanyl-3-phenyl-propanoyl]sulfamate
+CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	8Q1	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate
+C#CCOc1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	8Q2	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(3~{s})-3-azanyl-3-(4-prop-2-ynoxyphenyl)propanoyl]sulfamate
+Cc1cc2c(cc1NS(=O)(=O)c3cc(ccc3OC)Br)c(no2)C	8Q3	5-bromanyl-n-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OC(=O)O)Cl	8Q4	2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate
+CC(C)CNc1c2ncc(n2ccn1)c3ccc(cc3)C(=O)NC4CC4	8Q5	~{n}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
+CCOc1ccc(cc1Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C(=O)C	8Q6	dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate
+COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)C(=O)[C@@H]5CC5(F)F)-c6ncnn6C2=O	8Q7	9-[(1s)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one
+CC(C)([C@@H](C(=O)NO)N[C@@H]1CCc2c1ccc(c2)C#Cc3ccc(cc3)Cn4ccnc4CO)N	8Q8	(2~{s})-3-azanyl-2-[[(1~{r})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{h}-inden-1-yl]amino]-3-methyl-~{n}-oxidanyl-butanamide
+Cc1c2cc(c(cc2on1)OCC(=O)NCCN3CCOCC3)NS(=O)(=O)c4cc(ccc4OC)Br	8Q9	2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-n-(2-morpholin-4-ylethyl)ethanamide
+c1cnc(nc1c2cc3n(c2)CCNC3=O)NC4CCOCC4	8QB	7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{h}-pyrrolo[1,2-a]pyrazin-1-one
+Cc1c2cc(c(cc2on1)NC)NS(=O)(=O)c3cc(ccc3OC)Br	8QC	5-bromanyl-2-methoxy-n-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide
+C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O	8QD	(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol
+CC(C)(C)Nc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N	8QE	4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide
+C[C@H](CCCC(C)(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(C[C@@H]([C@H](C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C	8QF	[(2~{s},3~{s},5~{s},6~{s},8~{s},9~{s},10~{r},13~{r},14~{r},17~{r})-17-[(2~{r})-6,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate
+c1cc(sc1c2c[nH]nc2)Cl	8QG	4-(5-chlorothiophen-2-yl)-1h-pyrazole
+Cc1ccc(cc1)N/C=C\2/c3c(c4cc(c(c(c4o3)Cl)Cl)O)CCC2=O	8QH	(4~{z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
+c1nc2c(n1C[C@@H](COCP(=O)(O)O)OC[C@@H](O)P(=O)(O)O)N=C(NC2=O)N	8QI	({(2s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2-[(2s)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid
+C[N](C)(C)[C@@H](Cc1c[nH]c(n1)SO)C(=O)O	8QJ	(2~{s})-3-(2-oxidanylsulfanyl-1~{h}-imidazol-4-yl)-2-(trimethyl-$l^{4}-azanyl)propanoic acid
+COc1ccc(cc1)/N=C/c2c(ccc3c2oc4c3c(c(c(c4)Cl)O)Cl)O	8QK	1,3-bis(chloranyl)-6-[(~{e})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol
+C[C@@]12CCC[C@@H]1[C@@H]3C[C@@H](C4=C[C@H](CC[C@@]4([C@H]3CC2)C)O)O	8QL	(3s,6s,8s,9s,10r,13s,14r)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6-diol
+c1cc(ccc1C2CC2)C(=O)O	8QM	4-cyclopropylbenzoic acid
+C[C@H]([C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O	8QN	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{s},3~{r})-2-azanyl-3-oxidanyl-butanoate
+C[C@@H]1CN=C(N1)c2ccc(cc2O)OC	8QO	5-methoxy-2-[(5r)-5-methyl-4,5-dihydro-1h-imidazol-2-yl]phenol
+CCc1cccc2c1[nH]c3c2CCO[C@@]3(CC)CC(=O)O	8QP	[(1s)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
+Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)C[C@H](c4ccccc4)C(F)(F)F)O)c5ccc(cc5)CN	8QQ	3-[4-(aminomethyl)phenyl]-2-methyl-6-[[4-oxidanyl-1-[(3~{r})-4,4,4-tris(fluoranyl)-3-phenyl-butanoyl]piperidin-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-one
+CCc1cccc2c1[nH]c3c2CCO[C@]3(CC)CC(=O)O	8QS	[(1r)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
+CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	8QT	(2~{r},3~{s})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
+CC#Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)C6=CCOCC6	8QV	(5s)-3-(3,6-dihydro-2h-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'h-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
+C[C@H](c1ccc(cc1)F)C(=O)Nc2ccc(cc2)c3ccc4nc(nn4c3)Nc5ccc(cc5OC)S(=O)(=O)C	8QW	(2~{r})-2-(4-fluorophenyl)-~{n}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
+CC1=Nc2ccc(nc2C(=O)N1C[C@H]3CCCN(C3)C(C)C)Oc4ccc(cc4F)Br	8QX	6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{s})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
+C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc2ccc(cc2)O)N(C)C	8QY	n-[(2s)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-n'-[(2s)-1-(thiophen-3-yl)propan-2-yl]urea
+CCc1c(c(n(n1)CCOCCOCCOC)CC)NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C(=O)COC	8QZ	~{n}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
+CN1[C@@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3	8R0	(3r)-4-methyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
+c1cc(ccc1NC(=O)[C@H](CO)N)Oc2ccc3c(c2)c(c([nH]3)N)C#N	8R2	(2s)-2-amino-n-[4-[(2-amino-3-cyano-1h-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide
+CN(C)/N=C\1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)C(=O)O	8R3	3-[2-[(3z,6r)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid
+c1ccc(cc1)c2cc3c(coc3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O	8R4	2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid
+C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O	8R5	3-[5-chloranyl-6-[(1~{r})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid
+CC1=C(C(=O)Oc2c1ccc(c2)N=[N+]=[N-])CC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O	8R6	(2s)-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid
+COc1ccc2c(ccnc2c1)c3ccc(c(c3)C4CCCC4)C(=O)O	8R7	2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid
+C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)N(C(=O)O3)CCC(=O)O	8R8	3-[5-chloranyl-2-oxidanylidene-6-[(1~{r})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid
+CC(=O)N1CCN(CC1)c2ccccn2	8RA	1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
+Cc1ccc(nn1)[C@@H](C)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O	8RB	3-[5-chloranyl-6-[(1~{r})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
+CCc1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C)O[C@@H]5CCN(C5)C(=O)C=C	8RC	6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3r)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide
+Cc1c(c(nn1C)C(=O)N2CCOCC2)CCOc3cc(ccc3c4ccc5nnc(n5c4)CNC)F	8RD	{4-[2-(5-fluoro-2-{3-[(methylamino)methyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}phenoxy)ethyl]-1,5-dimethyl-1h-pyrazol-3-yl}(morpholin-4-yl)methanone
+C(CN)[C@@H]([C@@H]([C@@H](C(=O)O)N)O)O	8RE	3,4-dihydroxylysine
+Cc1cc(ccc1C(=O)NC2CC2)c3cnc4n3nc(cc4NCCC(F)(F)F)Oc5ccc(c(c5F)F)OC	8RH	bay 1217389
+CN(C)[C@@H](Cc1ccc(cc1)O)CNC(=O)/C=C/c2cccc3c2cccc3	8RI	(2e)-n-[(2s)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide
+CC1=CN(C(=O)NC1=O)C[C@H](COP(=O)(O)O)O	8RJ	(r)-1'-(2',3'-dihydroxypropyl)-thymine
+Cc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O	8RK	3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid
+CNC(=O)c1cc2ccccc2nc1	8RM	n-methylquinoline-3-carboxamide
+C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3c(csc3C2=O)Br)O)c4ccccc4	8RN	7-bromanyl-3-[[4-oxidanyl-1-[(3~{r})-3-phenylbutanoyl]piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
+CC1=C2N(S2)C(=O)N(C1)[C@H]3C[C@@H]([C@H](O3)COP(O)O)O	8RO	[(2~{r},3~{s},5~{r})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
+CC(=O)N1CCc2cc(c(cc2C1)OC)OC	8RP	1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)ethan-1-one
+C/C(=C(\CCCN(CC1CCCCC1)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4)/C=N/C)/O	8RQ	~{n}4-[(4-chlorophenyl)methyl]-~{n}1-(cyclohexylmethyl)-~{n}4-cyclopentyl-~{n}1-[(~{z})-4-[(~{e})-methyliminomethyl]-5-oxidanyl-hex-4-enyl]benzene-1,4-disulfonamide
+Cc1cc(ccc1OCC(=O)O)SCc2c(nc([se]2)c3ccc(cc3)C(F)(F)F)C	8RR	2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid
+CC(=O)N1CCN(CC1)c2ccccc2	8RS	1-(4-phenylpiperazin-1-yl)ethan-1-one
+Cn1cc(c2c1cccc2)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F	8RT	(2~{s})-~{n}1-(1-methylindol-3-yl)-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
+CCc1ccc(c(c1)O)O	8RU	4-ethylbenzene-1,2-diol
+CC(=O)NC1CCN(CC1)Cc2ccccc2	8RV	n-(1-benzylpiperidin-4-yl)acetamide
+c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F	8RW	(2~{s})-~{n}1-(1-aminocarbonylindol-3-yl)-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
+CNC(=O)c1ncccn1	8RY	n-methylpyrimidine-2-carboxamide
+c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(c5)OC(F)(F)F	8RZ	(1~{r},3~{s},5~{r})-~{n}2-(1-aminocarbonylindol-3-yl)-~{n}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
+C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O	8S0	l-glucono-1,5-lactone
+c1ccc(c(c1)n2c(c(cn2)C#N)N)Cl	8S1	5-amino-1-(2-chlorophenyl)-1h-pyrazole-4-carbonitrile
+c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)N	8S2	(2~{s},4~{s})-~{n}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
+Cc1c(c(on1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)O)Cl	8S3	2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid
+COc1ccc(cc1)Cn2cnnn2	8S4	1-[(4-methoxyphenyl)methyl]-1h-tetrazole
+c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)F	8S5	(2~{s},4~{r})-~{n}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
+C[C@H](CC(=O)O)NC(=O)C(=O)O	8S6	(3r)-3-(oxaloamino)butanoic acid
+Cc1cc(on1)NC(=O)C2CC2	8S7	n-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide
+C[C@@H]1C=C[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4)C(=O)O	8S8	(3~{s},6~{s},7~{r},9~{a}~{r})-6-[[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonylamino]-7-methyl-5-oxidanylidene-1,2,3,6,7,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid
+c1ccc(cc1)c2c(nc(o2)c3cccc(c3)C(=O)O)c4ccc(c(c4)Cl)Cl	8S9	3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid
+Cc1cc(no1)NCc2cccs2	8SA	5-methyl-n-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CC[C@@H]3[C@@H]2C(=O)N4[C@@H](CC[C@@H]4C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6)C=C3	8SB	(3~{s},7~{r},10~{r},13~{s})-4-[[(3~{r},7~{s},10~{s},13~{r})-4-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+c1cc2c(cc1O)CC(=O)N2	8SD	5-hydroxy-1,3-dihydro-2h-indol-2-one
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CC[C@H]3[C@H]2C(=O)N4[C@H](CC[C@H]4C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6)C=C3	8SE	(3~{s},7~{r},10~{r},13~{s})-4-[[(3~{s},7~{r},10~{r},13~{s})-4-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+CC(C)Sc1nnnn1c2ccccc2	8SF	1-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole
+Cc1cc(on1)NC(=O)c2ccco2	8SG	n-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide
+CCOP(=O)([C@H](CCCc1ccccc1)CS)OCC	8SH	(2~{r})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol
+[H]/N=C(\N)/SCc1ccc(cc1)[N+](=O)[O-]	8SJ	(4-nitrophenyl)methyl carbamimidothioate
+c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O	8SK	benzo[a]pyren-3-ol
+CC(C)Cc1nnc(n1Cc2ccccc2)SCc3ccc(cc3)OC	8SL	3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methylpropyl)-4-(phenylmethyl)-1,2,4-triazole
+Cn1cc(c(n1)n2cccc2)c3ccccn3	8SM	2-[1-methyl-3-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]pyridine
+C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C(=O)O	8SN	(3~{s},7~{r},10~{r},11~{r},13~{s})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)CCNS(=O)(=O)C	8SO	n-[(2r)-2-[4-[4-[2-(methylsulfonylamino)ethyl]phenyl]phenyl]propyl]propane-2-sulfonamide
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC	8SP	o-[(r)-{[(2r)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine
+c1ccc2c(c1)cccc2CCC(=O)NO	8SQ	3-naphthalen-1-yl-~{n}-oxidanyl-propanamide
+Cc1cc(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F	8SR	2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+c1cc(ccc1c2c[nH]nc2N)Br	8SS	4-(4-bromophenyl)-1h-pyrazol-3-amine
+c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)NCc3ccncc3	8ST	n-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
+CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O	8SU	(~{z})-7-[(1~{r},5~{s})-2-oxidanylidene-5-[(~{e},3~{s})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid
+CNc1cc2c(cc1[N+](=O)[O-])N(C(=O)N2C)C	8SV	1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2h-benzimidazol-2-one
+C#CCNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O	8SW	~{n}-[2-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide
+C[C@@]12CCC(=O)OC([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C	8SX	preaustinoid a1
+CN1c2ccc(cc2CCC1=O)N	8SY	6-amino-1-methyl-3,4-dihydroquinolin-2(1h)-one
+C(CCN)C[C@@H](C(=O)NO)N	8SZ	(2~{s})-2,6-bis(azanyl)-~{n}-oxidanyl-hexanamide
+C[C@]12CC[C@H]3[C@]([C@@H]1C[C@@]4(C(=C)[C@]2(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)(C=CC(=O)OC3(C)C)C	8T0	preaustinoid a2
+CN1c2ccc(cc2C=CC1=O)N	8T1	6-amino-1-methylquinolin-2(1h)-one
+c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)NCCCCNC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O	8T2	~{n}-[(5~{s})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide
+C[C@]1(C[C@@H]2C[C@@H]2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)Cl	8T3	n-[3-[(1s,3s,6s)-5-azanyl-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carbox amide
+Cn1c(c(cn1)c2ccccc2)n3cccc3	8T4	1-methyl-4-phenyl-5-(1h-pyrrol-1-yl)-1h-pyrazole
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CCC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6	8T5	(1~{s},4~{s},7~{r},10~{r})-14-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-3,14-diazatricyclo[8.4.0.0^{3,7}]tetradec-8-ene-4-carboxylic acid
+Cn1c(c(c(n1)C(F)(F)F)c2ccccc2)N	8T7	1-methyl-4-phenyl-3-(trifluoromethyl)-1h-pyrazol-5-amine
+c1cc(ccc1CN[C@H]2CCCc3c2[nH]c4c3ccc(c4)OC(F)(F)F)Br	8T8	(1~{s})-~{n}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{h}-carbazol-1-amine
+CC1=C2C[C@@]3(C(=C)[C@]([C@]2(CC[C@@]14C=CC(=O)OC4(C)C)C)(C(=O)[C@@](C3=O)(C)O)C(=O)OC)C	8T9	preaustinoid a3
+c1ccnc(c1)c2cn[nH]c2n3cccc3	8TA	2-[5-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]pyridine
+C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)O	8TB	(3~{s},7~{r},10~{r},11~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+C[C@@]12CC[C@H](C([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C)O	8TC	berkeleyone a
+CN1c2ccc(cc2N(C1=O)C)N	8TD	5-amino-1,3-dimethyl-1,3-dihydro-2h-benzimidazol-2-one
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)O)CP(=O)(O)O	8TE	p-methylphosphonatocalix[4]arene
+CN1c2cc(c(cc2C=CC1=O)[N+](=O)[O-])Br	8TG	7-bromo-1-methyl-6-nitroquinolin-2(1h)-one
+CCCC12C3([Ir]1456(C3(C4(C52C)C)C)(N(CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)Cl)C	8TH	chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappan]methyl}azanide-kappan][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium
+CNC(=O)c1cc2cccnc2s1	8TJ	n-methylthieno[2,3-b]pyridine-2-carboxamide
+CC1=CSC2=CC(=C(C(=O)N12)c3ccccc3)[C@H](C)Nc4c(c(ncn4)N)C#N	8TK	4-azanyl-6-[[(1~{s})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile
+CC[C@@H]1C(=O)N2[C@H](CN(C(=O)[C@@H]2CCSC)CCC(C)C)N(O1)C(=O)OC(C)C	8TL	propan-2-yl (3r,6s,9as)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6h-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate
+c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)SC(F)(F)F	8TM	n-[4-(trifluoromethylsulfanyl)phenyl]quinazolin-4-amine
+CC1=CSC2=CC(=C(C(=O)N12)c3cccc(c3)CN(C)C)[C@H](C)Nc4c(c(ncn4)N)C#N	8TN	4-azanyl-6-[[(1~{s})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
+C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCCN(C)C)C)C)OC)OC(=O)N)C)C)O)OC	8TO	(4e,6e,8s,9r,10e,12r,13r,14s,16r)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
+CC(=O)NCCNc1ccccc1	8TP	n-[2-(phenylamino)ethyl]acetamide
+C1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C=O	8TQ	(3~{s},7~{r},10~{r},13~{s})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carbaldehyde
+OCl	8TR	hypochlorous acid
+CC(=O)N1CCN(CC1)c2ccc(cn2)C#N	8TS	6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile
+CCC[C@@H](CC(C)(O)O)[C@H](C[C@@H](CCCCC(=O)O)O)CO	8TU	(6r,8s,9s)-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid
+CC(=O)N1CCN(CC1)c2ccncc2	8TV	1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one
+C1=S[C@H]2[C@@H]([C@@H]1C(=O)O)C(C2(Cl)Cl)(O)O	8TW	(1~{s},4~{r},5~{s})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid
+C12=C(NC(=O)NC1=O)NC(=S)N2	8TX	8-thioxo-3,7,8,9-tetrahydro-1h-purine-2,6-dione
+CC(=O)N1CCN(CC1)S(=O)(=O)C	8TY	1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one
+CCCc1cc(ccc1[C@@H](c2[nH]ccn2)O)F	8TZ	(~{s})-(4-fluoranyl-2-propyl-phenyl)-(1~{h}-imidazol-2-yl)methanol
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Oc3ccc4ccccc4c3	8U0	n-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide
+CC(=O)NCc1ccc(cc1)OC	8U1	n-[(4-methoxyphenyl)methyl]acetamide
+COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCCCC3CC4Cc5c(c(c6ccc(cc6n5)Cl)N)C(C4)C3	8U2	2-{1-[4-(12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1h-1,2,3-triazol-4-yl}-n-[4-hydroxy-3-methoxybenzyl]acetamide
+CS(=O)(=O)Nc1ccc(c(c1)F)F	8U3	n-[3,4-bis(fluoranyl)phenyl]methanesulfonamide
+CC(=O)NCc1cccc(c1)Cl	8U4	n-[(3-chlorophenyl)methyl]acetamide
+CC1C[C@@H]2CC(C1)Cc3c2c(c4ccc(cc4n3)Cl)NCCCCCCCCCC(=O)NCc5ccc(c(c5)OC)O	8U5	e)-10-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)-6-decenamide
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc4ccccc4c3	8U6	n-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide
+CNC(=O)NC1CCN(CC1)Cc2ccccc2	8U7	n-(1-benzylpiperidin-4-yl)-n'-methylurea
+CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)O)O)O)O	8U8	(2~{r},3~{s},4~{s},5~{r},6~{s})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
+c1cc(ccc1C(=O)O)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc(c(c3)C(F)(F)F)Cl	8U9	4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid
+CC(=O)NCc1ccccn1	8UA	n-[(pyridin-2-yl)methyl]acetamide
+c1ccc2c(c1)NC(=O)C(=N2)C=Cc3cccs3	8UB	3-(2-thiophen-2-ylethenyl)-1~{h}-quinoxalin-2-one
+Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)c5ccncc5)C#N)N	8UC	(3~{s})-6'-azanyl-7-fluoranyl-2,2,3'-trimethyl-5-pyridin-4-yl-spiro[1~{h}-indene-3,4'-2~{h}-pyrano[2,3-c]pyrazole]-5'-carbonitrile
+CNC(=O)c1cccnc1N	8UD	2-amino-n-methylpyridine-3-carboxamide
+CC1=C[C@@H]2C[C@H](C1)Cc3c2c(c4ccc(cc4n3)Cl)NCc5ccc(cc5)CC(=O)NCc6ccc(c(c6)OC)O	8UE	 4-{[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-n-(4-hydroxy-3-methoxybenzyl)benzamide
+Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)N5CCC(CC5)CC(=O)O)C#N)N	8UF	2-[1-[(3~{s})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{h}-indene-3,4'-2~{h}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid
+CCOC(=O)[C@H]1CCc2c(c[nH]n2)C1	8UG	ethyl (5s)-4,5,6,7-tetrahydro-2h-indazole-5-carboxylate
+CC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1	8UH	6-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)hexanamide
+CS(=O)(=O)NC[C@@H]1CC(=O)N(C1)C2CCCC2	8UJ	n-{[(3r)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide
+CC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1	8UK	 7-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)heptanamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)C(=O)O)C(C)C)C#N)N	8UL	1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidine-4-carboxylic acid
+CC[C@]1(CC(=CNC1=O)c2ccc(s2)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O)C	8UM	5-[(5s)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-n-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide
+C[C@@H](C1CCCCC1)n2c3ccc(cc3nc2c4cc5c(cc4Br)OCO5)C(=O)Nc6ccc(cc6)C#N	8UN	2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{n}-(4-cyanophenyl)-1-[(1~{s})-1-cyclohexylethyl]benzimidazole-5-carboxamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CC(=O)O)C(C)C)C#N)N	8UO	2-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid
+[H]/N=C(/c1ccc2ccc(c(c2c1)OCCCBr)OC)\N	8UP	8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide
+CC1C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1	8UQ	8-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)octanamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)N4CCC(CC4)CC(=O)O)C(F)(F)F)C(C)C)C#N)N	8UR	2-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]ethanoic acid
+c1cc(sc1N2CC[C@H](C2)O)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O	8US	n-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3r)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)N4CCC(CC4)CCC(=O)O)C(F)(F)F)C(C)C)C#N)N	8UU	3-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid
+COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccnc(c3)N	8UV	n-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
+C[C@@H](C(=O)O)N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(=O)O)C(=O)O	8UX	(2~{s})-4-[[(2~{r})-3-(1~{h}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{s})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
+c1cc(n2c(c1)ncn2)c3ccc(cc3)C#N	8UY	4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)O)N	8UZ	tc007
+c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)CCN	8V0	(2~{s})-2-(3-azanylpropanoylamino)-3-(1~{h}-imidazol-4-yl)propanoic acid
+Cn1cc(c2c1ccc(c2)Oc3ccc(cc3)NC(=O)[C@@H]4CCCN4)c5cnn(c5)C	8V1	(2s)-n-[4-[1-methyl-3-(1-methylpyrazol-4-yl)indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)OC)C=C6	8V2	methyl (3~{s},7~{r},10~{r},13~{r})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylid ene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3, 7}]tridec-8-ene-13-carboxylate
+Cn1cncc1C[C@@H](C(=O)O)NC(=O)CCN	8V3	(2~{s})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
+CCn1cc(cn1)NC(=O)c2ccoc2	8V4	n-(1-ethyl-1h-pyrazol-4-yl)furan-3-carboxamide
+c1cc(sc1c2cnc(o2)C(=O)N3CCOCC3)S(=O)(=O)N	8V5	5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
+Cc1ccc(cc1)C#CCO[C@H]2CC([C@](C(=C2)C)(/C=C/C(=C\C(=O)O)/C)O)(C)C	8V6	(2z,4e)-3-methyl-5-[(1s,4s)-2,6,6-trimethyl-4-[3-(4-methylphenyl)prop-2-ynoxy]-1-oxidanyl-cyclohex-2-en-1-yl]penta-2,4-dienoic acid
+CC(C)n1cnnc1c2nc(cs2)C(=O)Nc3ccccn3	8V7	2-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]-n-(pyridin-2-yl)-1,3-thiazole-4-carboxamide
+Cc1ncc(o1)c2ccc(cc2)S(=O)(=O)N	8V8	4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccc(cc3)O)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	8V9	(4r)-3-[(2s,3s)-3-[[(2r)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+c1cc(cc(c1)NC(=O)c2ccc(s2)C(=O)c3cccc(c3)I)CC(C(=O)O)C(=O)O	8VB	2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid
+Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C)N(C)CCN(C)C	8VC	(4r)-3-[(2s,3s)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+c1c(ncnc1NC2CCNCC2)C(F)(F)F	8VD	n-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
+CN1[C@H]2CN[C@@H]([C@H]2C(=N1)C(=O)O)C(=O)O	8VE	(3~{a}~{r},4~{s},6~{a}~{r})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{h}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid
+CCN(CCN)c1cc(c(c(c1)C)OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C	8VF	(4r)-3-[(2s,3s)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+Cc1cccc(c1)C	8VH	1,3-dimethylbenzene
+CCN(c1cc2c(cc1N3CCNC[C@H]3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC	8VI	n-[1,3-dimethyl-6-[(2r)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-n-ethyl-2-methoxy-benzamide
+CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N	8VJ	7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
+CC[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)OCC	8VK	ethyl (3~{s},7~{r},10~{r},11~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate
+C[C@H](c1ccc(c2c1cccc2)Br)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N	8VL	4-[2-[[(2r)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid
+CCC(CC)(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)c2cc(c(s2)C(=O)Nc3[nH]nnn3)C	8VM	5-(3-{4-[(2s)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-3-methyl-n-(1h-tetrazol-5-yl)thiophene-2-carboxamide
+C1[C@H]2[C@@H]([C@H](N1)C(=O)O)C(=NO2)C(=O)O	8VN	(3~{a}~{s},4~{s},6~{a}~{r})-4,5,6,6~{a}-tetrahydro-3~{a}~{h}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccc(cc3)N)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	8VO	(4r)-3-[(2s,3s)-3-[[(2r)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O	8VR	(2r,4ar,6r,7r,8r,8ar)-2-methyl-6,7,8-tris(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
+CNC(=O)[C@H](Cc1cccc(c1)Br)NC(=O)[C@H](Cc2ccc(cc2)C(=O)N)NC(=O)[C@@H](c3ccccc3)C4CCCCC4	8VS	4-carbamoyl-n-[(2r)-2-cyclohexyl-2-phenylacetyl]-l-phenylalanyl-3-bromo-n-methyl-l-phenylalaninamide
+CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cccc(c3)OC)O)O)NC(=O)c4cccc(c4)OC	8VT	~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-2-acetamido-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide
+CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N	8VU	(r)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one
+C[N](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)N)C(=O)O	8VV	(2~{s})-3-[2-[(2~{r})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfinyl-1~{h}-imidazol-4-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid
+CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)NC(=O)c3cccc(c3)OC	8VW	~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-2-acetamido-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide
+CN(C)/N=C\1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)S(=O)(=O)C	8VX	(r)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-n-(3-(methylsulfonyl)phenyl)acetamide
+c1cc(cc(c1)CBr)CBr	8VY	1,3-bis(bromomethyl)benzene
+CCCOC(=O)N1CCN([C@H](C1)C)C(=O)c2ccc3cc4c(nc3c2)C[C@@H](CC4)CN	8W0	propyl (3~{s})-4-[[(6~{r})-6-(aminomethyl)-5,6,7,8-tetrahydroacridin-3-yl]carbonyl]-3-methyl-piperazine-1-carboxylate
+CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F	8W1	(5s)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2h)-one
+c1ccc2c(c1)C(=O)NC(=N2)NCCCNCc3cc4c([nH]3)cc(cc4Cl)Cl	8W2	2-[3-[[4,6-bis(chloranyl)-1~{h}-indol-2-yl]methylamino]propylamino]-3~{h}-quinazolin-4-one
+CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N2C/C(=N/Oc3ccccc3)/NC[C@H](C2=O)Cc4cc(ccc4OC)Cl	8W3	2-amino-4-((r)-1-((r,z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid
+CCc1cn2c3c1cc(cc3N(S(=O)(=O)C(C2)(C)C)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H]([C@H]5C(=O)N(CCN5)Cc6ccccc6)O	8W4	n-{(1s,2s)-1-[(2s)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide
+CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C	8W5	(1~{s},2~{s},4~{r},6~{r},8~{s},9~{s},11~{s},12~{s},13~{r})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one
+CC[C@H](c1ccc(cc1)C(=O)O)NC(=O)N2C/C(=N/OCC)/NC[C@H](C2=O)Cc3cc(ccc3OC)Cl	8W6	4-((r)-1-((r,z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid
+c1cc2c(c(c1)OCc3ccc(cc3)CN4CCOCC4)CN(C2=O)[C@H]5CCC(=O)NC5=O	8W7	(3s)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2h-isoindol-2-yl]piperidine-2,6-dione
+C[C@@H]([C@@H](c1cccc(c1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F	8W8	2,2,2-tris(fluoranyl)-~{n}-[(1~{r},2~{s})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide
+CN1c2ccc(cc2N(C1=O)C)CN	8W9	5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one
+CN(CCN[C@@H]1CCNc2c1cc(cc2Cl)Cl)c3[nH]c4ccc(nc4n3)Cl	8WA	n~1~-(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)-n~2~-[(4r)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-n~1~-methylethane-1,2-diamine
+COc1ccc(c(c1OC)OC)C2=CC=C(C(=O)C=C2)OC	8WB	2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
+Cc1ccc(cc1)c2c(cc(cn2)OCC3CCNCC3)c4ccc(cc4)C#N	8WC	4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile
+c1c(onc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)C4CCC(CC4)N)C5CC5	8WD	n-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
+C/C=C/C=C\C(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2C[C@@H](C[C@@H](O2)CCCC(=O)C[C@@H](CCCC(=O)O1)C)C)/C)O	8WE	(2~{z},4~{e})-~{n}-[(~{s})-oxidanyl-[(1~{s},2~{e},5~{s},11~{r},17~{s},19~{r})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide
+CCCCCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O	8WF	2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol
+c1cc(ccc1Cn2cc(cn2)CN3CC(C3)NC(=O)c4cn(nn4)C5CC5)Cl	8WG	n-[1-({1-[(4-chlorophenyl)methyl]-1h-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1h-1,2,3-triazole-4-carboxamide
+c1cc(cc(c1)C(=O)O)Cn2cc(nn2)c3cccc4c3N=C(CC4=O)N5CCOCC5	8WH	3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{h}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid
+c1csc(n1)NC(=O)[C@H](CC2CCCCC2)N3C=CC(=CC3=O)S(=O)(=O)C4CCCC4	8WJ	(2s)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2h)-yl]-n-(1,3-thiazol-2-yl)propanamide
+c1cc(ccc1n2c3c(cn2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C(F)F)n5ccc(n5)F)O)F	8WK	5-[[1-[(3~{s})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one
+c1cc2c(cnn2[C@@H](CC3CCOCC3)C(=O)Nc4ncc(s4)F)c(c1)S(=O)(=O)C5CC5	8WM	(2s)-2-[4-(cyclopropylsulfonyl)-1h-indazol-1-yl]-n-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
+CCS(=O)(=O)Nc1ccccc1c2ccc(cc2)C(=O)N3CCC(CC3)(CN4C=Nc5c(cnn5C)C4=O)O	8WN	~{n}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide
+CN1CC(=CC=C1OC)C(=O)N	8WO	6-methoxy-1-methyl-2h-pyridine-3-carboxamide
+c1c2n(nc1C(F)(F)F)C=C(NC2=O)CC(=O)N	8WP	2-[(8s)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide
+C1[C@@H]([C@@H]([C@H](N1)C(=O)O)C(=O)C(=O)O)O	8WQ	(2~{s},3~{r},4~{r})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid
+CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)N/C(=C\c3cccc(c3)C(=O)c4ccccc4)/C(=O)N2	8WR	(3z,6z)-3-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]-6-[[3-(phenylcarbonyl)phenyl]methylidene]piperazine-2,5-dione
+CC(=O)NCCCC[C@@H](C(=O)NC)NC(=O)C	8WS	(2s)-2,6-diacetamido-n-methyl-hexanamide
+CSc1[nH]c2c(ncnc2n1)N	8WT	8-methylsulfanyl-7~{h}-purin-6-amine
+CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)O)OC)OC)C	8WU	(e)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one
+CC(C)C12=C3[Os]1456(C2=C4C5(=C63)C)(Cl)Cl	8WV	dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium
+c1ccc(cc1)CCSc2c3c(nc[nH]3)nc(n2)N	8WW	6-(2-phenylethylsulfanyl)-7~{h}-purin-2-amine
+Cc1c(n2cccc(c2n1)OCc3ccccc3)CC#N	8WX	2-(2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-3-yl)ethanenitrile
+CC(CC[C@@H](C(=O)O)N)(O)O	8WY	5,5-dihydroxy-l-norleucine
+Cc1cc(c2c(c1)nc(o2)N)c3ccco3	8WZ	7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine
+CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(cc3)OC)OC)C	8X0	(e)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCN4)O)O)N	8X1	5'-o-{[(2s)-azetidine-2-carbonyl]sulfamoyl}adenosine
+CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4cc5c([nH]4)CCNC5=O	8X2	2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
+C(CS(=O)(=O)O)O	8X3	2-hydroxyethylsulfonic acid
+c1ccc(cc1)CN2CCc3c(cc([nH]3)c4ccnc(n4)NC5CCOCC5)C2=O	8X5	2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+c1ccc(cc1)c2csc(n2)N3CCN(CC3)C(=O)N	8X6	4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
+CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O	8X7	1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O	8X8	~{tert}-butyl ~{n}-[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]carbamate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)O)O)O)N	8XA	9-(5-o-phosphono-beta-d-xylofuranosyl)-9h-purin-6-amine
+Cc1cnc(nc1c2cc3c([nH]2)C[C@H](N(C3=O)CCOC)C)Nc4ccnn4C	8XB	(6~{r})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O	8XC	4-amino-1-(5-o-phosphono-beta-d-xylofuranosyl)pyrimidin-2(1h)-one
+Cn1c(ccn1)Nc2nccc(n2)c3cc4c([nH]3)CCN(C4=O)CCOC	8XE	5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+c1c(ncnc1N)C(F)(F)F	8XF	6-(trifluoromethyl)pyrimidin-4-amine
+c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	8XG	2-amino-9-(5-o-phosphono-beta-d-xylofuranosyl)-1,9-dihydro-6h-purin-6-one
+COCCN1CCc2c(cc([nH]2)c3ccnc(n3)NC4CCOCC4)C1=O	8XH	5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+Cc1ccc(cc1c2ccc3c(c2F)c(c(o3)c4ccc(cc4)F)C(=O)NC)C(=O)NC5(CC5)c6ncccn6	8XJ	4-fluoro-2-(4-fluorophenyl)-n-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
+Cn1c(ccn1)Nc2nccc(n2)c3cc4c(n3C)CCN(C4=O)CCOC	8XK	5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
+[C-]#[N+]/C=C\c1c[nH]c2c1cccc2	8XL	3-[(z)-2-isocyanoethenyl]-1h-indole
+CC(C)(C(=O)Nc1nncs1)NC(=O)c2cccc(c2)c3ccc4c(c3)c(c(o4)c5ccc(cc5)F)C(=O)NC	8XM	2-(4-fluorophenyl)-n-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide
+Cc1cnc(nc1c2cc3c([nH]2)C[C@@H](N(C3=O)CCOC)C)Nc4ccnn4C	8XN	(6~{s})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+C(CCCCCCN=[N+]=[N-])CCCCC/C=C/C(=O)/C=N/CC(=O)O	8XO	2-[e-(e-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid
+CC(C)(C)NC(=O)c1cccc(c1)c2ccc3c(c2)c(c(o3)c4ccc(cc4)F)C(=O)NC	8XP	5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide
+c1cc2c(ccc(c2nc1)O)C(=O)O	8XQ	8-hydroxyquinoline-5-carboxylic acid
+Cc1ccc(c(c1)C)NC(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CCCC4	8XR	(3~{r})-4-cyclopentyl-~{n}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{h}-quinoxaline-6-carboxamide
+CNC(=O)c1c2cc(ccc2oc1c3ccc(cc3)F)c4cccc(c4)C(=O)O	8XS	3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
+CCNC(=O)c1cc2c(ccnc2[nH]1)N3CCOC[C@@H]3C	8XT	~{n}-ethyl-4-[(3~{s})-3-methylmorpholin-4-yl]-1~{h}-pyrrolo[2,3-b]pyridine-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O	8XU	1-(5-o-phosphono-beta-d-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione
+c1cc2c(cc1OCC(=O)N)S(=O)(=O)N=C(N2)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O	8XV	2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide
+CC(=O)SC[C@@H](CCCCc1ccccc1)P(=O)(O)O	8XW	[(2~{r})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid
+Cc1ccc(cc1)N(C)C(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CC4	8XX	(3~{r})-4-cyclopropyl-~{n},1,3-trimethyl-~{n}-(4-methylphenyl)-2-oxidanylidene-3~{h}-quinoxaline-6-carboxamide
+c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br	8XY	6-bromo-n-(1h-indol-4-yl)-1-benzothiophene-2-carboxamide
+CC(=O)SC[C@@H](CCCc1ccccc1)P(=O)(O)O	8XZ	[(2~{r})-1-ethanoylsulfanyl-5-phenyl-pentan-2-yl]phosphonic acid
+c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)CCCCCCCCCCCC/C=C/C(=O)/C=N/CC(=O)O)C(=O)CCCCCNC(=O)C(F)(F)F	8Y0	(e)-n-[(3e)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1h-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine
+c1ccc(cc1)[C@H](CN)N2CCc3c(csc3C2=O)c4cccnc4	8Y1	6-[(1r)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccccc4	8Y2	2-(4-ethylsulfonylphenyl)-~{n}-[4-(2-phenylmethoxypyridin-3-yl)thiophen-2-yl]ethanamide
+Cn1c2c(nc1SCC(=O)Nc3ccccc3)C(=O)NC(=N2)N	8Y4	2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]-n-phenylacetamide
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4cccc(c4)C#N	8Y5	~{n}-[4-[2-[(3-cyanophenyl)methoxy]pyridin-3-yl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+c1coc2c1c(cc3c2c(c(n3Cc4cc5c(cc4F)N=CNC5=O)C(=O)O)C6=CC=CNC6=O)F	8Y6	4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3h-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1h-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
+Cn1c2c(nc1SCC(=O)O)C(=O)NC(=N2)N	8Y7	[(2-amino-9-methyl-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]acetic acid
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cc(ccc3OC)C#N	8Y8	~{n}-[4-(5-cyano-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+[H]/N=C(/N)\N[C@@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	8Y9	[(2~{r},3~{s},5~{r})-5-[(5~{s})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methy l dihydrogen phosphate
+Cc1ccc2c(c1c3c(cc4c(c3F)ncnc4N5CCN(CC5)C(=O)CCN)Cl)cn[nH]2	8YA	3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1h-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3Cl)c4cccc(c4)Cl	8YB	~{n}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+C1CCC(C1)(CO)NCC(=O)N2[C@H](CC[C@H]2C#N)C#N	8YC	(2s,5r)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile
+CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(ccc5c4cn[nH]5)C)Cl	8YD	1-{4-[6-chloro-8-fluoro-7-(5-methyl-1h-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one
+CCCc1cc(no1)C(=O)n2cc3cnn(c3c2)CCO	8YE	[1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
+[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O	8YF	(2r)-2-[(2s,3r)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1h-pyrrole -5-carboxylic acid
+CCCCNC(=O)N1CCC(CC1)C	8YH	~{n}-butyl-4-methyl-piperidine-1-carboxamide
+c1ccn(c1)[C@@H](Cc2cnc[nH]2)C(=O)O	8YI	(2s)-3-(1h-imidazol-5-yl)-2-(1h-pyrrol-1-yl)propanoic acid
+c1ccc(c(c1)C(=O)O)SCC(=O)c2ccc(cc2)Cl	8YJ	2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	8YL	(2s,3r)-2-[(2s,3r)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1h-pyrrole-5-carboxylic acid
+CC(=O)c1ccccc1Sc2ccccc2C(=O)O	8YM	2-[(2-acetylphenyl)sulfanyl]benzoic acid
+C1[C@@H]([C@H](O[C@H]1C2=CN=C(NC2=O)N)COP(=O)(O)O)O	8YN	pseudoisocytidine
+COc1cccc2c1oc(c2)C(=O)O	8YO	7-methoxy-1-benzofuran-2-carboxylic acid
+CCCCCCCCCC=O	8YP	decanal
+Cc1c(cccc1c2ccc3c(c2)OC=CO3)COc4cc(c(cc4Cl)C[C@@H]5[C@@H](C[C@H](N5)O)C(=O)O)OCc6cccc(c6)CN	8YQ	(2~{r},3~{r},5~{r})-2-[[2-[[3-(aminomethyl)phenyl]methoxy]-4-[[3-(1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-chloranyl-phenyl]methyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid
+C1COC[C@H]1[C@@H](C(=O)O)N	8YR	(2s)-2-azanyl-2-[(3r)-oxolan-3-yl]ethanoic acid
+C[C@@H]1C[C@H]1c2ccc(o2)CCC(=O)N3CCC(CC3)C(=O)N	8YT	1-[3-[5-[(1~{r},2~{r})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide
+Cc1cccc(c1CN)C	8YU	(2,6-dimethylphenyl)methanamine
+C([C@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O	8YV	2-keto-d-gluconic acid
+c1cc(ccc1[C@H](CNC(=O)c2ccc3c(c2)OCO3)O)[N+](=O)[O-]	8YW	~{n}-[(2~{r})-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide
+Cc1cc(c(cc1OCc2cccc(c2C)c3ccc4c(c3)OCCO4)OCc5cccc(c5)C#N)CN[C@H](CO)C(=O)O	8YZ	(2~{r})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid
+Cc1cccc(c1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H]([C@H]4CCOC4)NC(=O)c5cc6cccc(c6o5)OC)O)(C)C)C	8Z0	(4r)-n-[(2,6-dimethylphenyl)methyl]-3-[(2s,3s)-3-[[(2s)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3r)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+Cc1c2c([nH]n1)OC(=C([C@@]2(c3cc(cc(c3)N4CCCC4)C(F)(F)F)C(C)C)C#N)N	8Z1	(4r)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
+CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	8Z2	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{e})-dodec-2-enethioate
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)N5CC[C@H](C5)O)OC	8Z4	(4as,8ar)-4-(3-{4-[(3r)-3-hydroxypyrrolidine-1-
+c1cc(cc(c1)I)CBr	8Z5	alpha-bromo-3-iodotoluene
+C=C1C(=O)CC(CC1=O)c2cccs2	8Z6	2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione
+c1ccc(cc1)CN2CCC(CC2)NC(=O)Nc3cccc(c3)C(F)(F)F	8Z7	n-(1-benzylpiperidin-4-yl)-n'-[3-(trifluoromethyl)phenyl]urea
+COC1C[C@H]2CC[C@@H](C1)N2c3c(c(nc4n3ncn4)Cl)c5c(cc(cc5F)F)F	8Z8	5-chloranyl-7-[(1~{r},5~{s})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
+CCCCN1CCC(CC1)N(Cc2ccccc2)C(=O)Nc3ccc(c(c3)Cl)Cl	8ZA	n-benzyl-n-(1-butylpiperidin-4-yl)-n'-(3,4-dichlorophenyl)urea
+CCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	8ZB	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol
+CCC[C@@H](C)N1CCC(CC1)N(Cc2ccccc2NC(=O)CC)C(=O)Nc3cccc(c3)C(F)(F)F	8ZD	n-{2-[({1-[(2r)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide
+c1cc2c(cc1CO)OCCO2	8ZE	2,3-dihydro-1,4-benzodioxin-6-ylmethanol
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl	8ZG	1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCNCC4)Cl	8ZH	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide
+CNC(=O)c1ccn2c1nc(cc2O)c3ccccc3	8ZJ	4-hydroxy-n-methyl-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide
+CCc1cc(cc(c1)Nc2ncc(s2)C(=O)Nc3c(cccc3Cl)C)C(=O)NC4CCNCC4	8ZK	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide
+CNC(=O)CCC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@@H](NC2=O)C(=O)N(C)C	8ZL	(5s,8r)-n,n-dimethyl-8-[[(2s)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
+c1ccc(cc1)c2cc(n3c(n2)nnn3)O	8ZM	5-phenyltetrazolo[1,5-a]pyrimidin-7-ol
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(F)(F)F)C(=O)NC4CCNCC4)Cl	8ZN	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide
+C=CCOC(=O)[C@@H]1CS(=O)(=O)c2c1cccc2	8ZO	prop-2-enyl (3r)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
+c1ccc(cc1)c2cc(n3ccc(c3n2)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O	8ZP	(1r,2s)-2-[(4-hydroxy-2-phenylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]cyclohexane-1-carboxylic acid
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(=O)NC4CCNCC4)c5ccccc5N)Cl	8ZQ	2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+CC1=CC=CC2=[N]1[Cu]3[N](=C2)NC(=[S]3)N(C)C	8ZR	~{n},~{n},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine
+C[C@@H](CO)NC(=O)c1ccn2c1nc(cc2O)c3ccccc3	8ZS	4-hydroxy-n-[(2s)-1-hydroxypropan-2-yl]-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)Cl	8ZT	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide
+CCCc1ccc(cc1)C(=O)O	8ZU	4-propylbenzoic acid
+COCCOc1cc(cc(c1)OCCOC)C(=O)NCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3	8ZV	2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)Cl	8ZW	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide
+COc1ccc(cc1)C(=O)N	8ZX	4-methoxybenzamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNC[C@H]4F)Cl	8ZZ	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{r},4~{r})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
+COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)Nc5ccc(cc5)Cl	900	n-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
+CCc1cc(ccc1N(c2ccccc2C(=O)O)C(=O)C(=O)O)C[C@@H](C(=O)NCCCCC(=O)N[C@@H](CCSC)C(=O)O)NC(=O)C	901	2-[(4-{2-acetylamino-2-[4-(1-carboxy-3-methylsulfanyl-propylcarbamoyl)-butylcarbamoyl]-ethyl}-2-ethyl-phenyl)-oxalyl-am ino]-benzoic acid
+c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)c5n[nH]nn5)OCC(=O)O)Br	902	{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2h-tetrazol-5-yl)-3-thienyl]oxy}acetic acid
+CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)OC)C(C(=O)O)(C(=O)O)F)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	903	2-{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-methoxycarbonyl-phenyl}-2-fluoro-malonic acid
+CCN(C)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cnc(nc4)C5CC5)F	904	n'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-n-ethyl-n-methylsulfuric diamide
+[H]/N=C(/c1ccc(cc1O)N[C@H](c2cc(cc(c2F)OCC)OCC)C(=O)NS(=O)(=O)c3cccc(c3)N)\N	905	(r)-4-[2-(3-amino-benzenesulfonylamino)-1-(3,5-diethoxy-2-fluorophenyl)-2-oxo-ethylamino]-2-hydroxy-benzamidine
+CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)N	906	1-(2-aminopyridin-4-yl)-3-[(3s)-5-{4-[(e)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one
+Cc1cc(c(c(c1)Br)[O-])c2cc3cc(ccc3[nH]2)C(=[NH2+])N	907	2-{5-[amino(iminio)methyl]-1h-indol-2-yl}-6-bromo-4-methylbenzenolate
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)NCC(=O)N)OC	908	4-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(2-azanyl-2-oxidanylidene-ethyl)benzamide
+Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5ccc(cc5)NC(=O)C)C(=O)C	909	n-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-pyrrol-3-yl]phenyl]ethanamide
+CC(=O)NCCOCCOCCOCCOCCC(=O)O	90A	2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)Br)C(=O)NC4CCNCC4)Cl	90B	2-[[3-bromanyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+CC(C)N1CCN(CC1)c2ccc(cc2)C(=C(CCCO)c3ccccc3)c4ccc(cc4)O	90C	4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
+CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)CCCNC)O	90D	methyl [(4s)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3r)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNCC4(F)F)Cl	90E	2-[[3-[[(4~{r})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+CCC(=O)Nc1cc(cc(c1Nc2c3cc(ccc3[nH]n2)O[C@H](C)c4c(cncc4Cl)Cl)F)N5CCC(CC5)N6CCOCC6	90F	~{n}-[2-[[5-[(1~{r})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{h}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide
+c1cc(ccc1c2cc([nH]n2)NC(=O)CS)Cl	90G	n-[3-(4-chlorophenyl)-1h-pyrazol-5-yl]-2-sulfanylacetamide
+c1cc(ccc1c2c[nH]nc2NC(=O)CS)F	90J	n-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]-2-sulfanylacetamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4cccc(c4)N)Cl	90K	2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@@H]([C@@H](C3)O)CCCO)O)C	90L	(1r,2r,3r)-5-[(e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol
+Cc1c(n[nH]c1NC(=O)CS)c2ccc(cc2)F	90M	n-[3-(4-fluorophenyl)-4-methyl-1h-pyrazol-5-yl]-2-sulfanylacetamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4nc(nc(n4)N)C)Cl	90N	2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@H]([C@@H](C3)O)CCCO)O)C	90O	(1r,2s,3r)-5-[(e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol
+CCN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCCC4)OC)OC	90P	n~2~-cyclohexyl-n~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-n~2~-methylquinazoline-2,4-diamine
+CC1=CC(=O)c2c(cccc2O)C1=O	90R	5-hydroxy-2-methylnaphthalene-1,4-dione
+CC(C)c1cc([nH]n1)C(=O)N2CC[C@@H](C2)n3cc(cn3)Br	90S	[(3s)-3-(4-bromo-1h-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1h-pyrazol-5-yl]methanone
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CC[C@@H](C4)C(=O)O)Cl	90T	(3~{s})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid
+CC(C)c1cc([nH]n1)C(=O)N2CC[C@H](C2)NC(=O)C3CC3	90V	n-{(3r)-1-[3-(propan-2-yl)-1h-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)O)Cl	90W	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CC(N(C(C4)(C)C)O)(C)C)Cl	90Z	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
+c1ccc(cc1)CNc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br	910	5-[3-(benzylamino)phenyl]-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
+CC(O)(P(=O)(O)O)P(=O)(O)O	911	(1-hydroxyethane-1,1-diyl)bis(phosphonic acid)
+Cc1cccc(c1NC(=O)C2CN/C(=N/c3cccc(c3)C(=O)NC4CCC(CC4)(C)O)/S2)Cl	912	(2~{z})-~{n}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide
+c1cc(cc(c1)n2cccn2)CN	913	(3-pyrazol-1-ylphenyl)methanamine
+c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OC[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)F)N	914	[(2r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic  acid
+Cc1cc(ccc1F)S(=O)(=O)N[C@H](C2CCOCC2)C(=O)NO	915	(2r)-2-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-n-hydroxy-2-tetrahydro-2h-pyran-4-ylacetamide
+CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Oc3c2cc(s3)CC(C)(C)C)(C)C)O	916	n-[(2s,3r)-4-{[(4s)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2h-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3cncs3	917	n-({(5s)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide
+c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F	918	5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
+CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC	919	4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1h-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-n-methylpyridine-2-carboxamide 
+CC(C)C[C@H](CN)N1CCc2c(csc2C1=O)c3cccnc3	91A	6-[(2r)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one
+CN1CCN(CC1)c2cccc(c2)CN	91B	1-[3-(4-methylpiperazin-1-yl)phenyl]methanamine
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4ccccc4F)Cl	91D	n~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NCC(C)(C)CN)Cl	91E	2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	91F	2-(4-methylsulfanylphenyl)-3h-quinazolin-4-one
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4cc(cc5c4cccc5)O)Cl	91G	n~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)C(=O)O)Cl	91H	4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid
+CN1CCC(CC1)CNC2=Nc3c(c4c(s3)CCCC4)C(=O)N2	91J	2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CC[C@@H](C4)CC(=O)O)Cl	91K	2-[(3~{r})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)C(=O)O)O	91L	1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4cccc5c4non5	91M	(5s,8r)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
+c1cc(sc1)c2ccnc3c2ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	91N	[(2~{r},3~{s},5~{r})-3-oxidanyl-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate
+COc1ccc(cc1)C(=O)/C=C\Nc2cc(c(cc2Cl)C(=O)O)OC	91O	5-chloro-2-methoxy-4[(1z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid
+Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)O)O	91P	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CN(C)CCc1c[nH]c2c1c(ccc2)O	91Q	3-[2-(dimethylamino)ethyl]-1~{h}-indol-4-ol
+c1c(cn(c1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#CC[C@@H](CO)O	91R	[[(2~{r},3~{s},5~{r})-5-[4-[(4~{s})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(cccc4F)O)Cl	91S	 (s)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one
+c1c(cn(c1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#CC[C@H](CO)O	91T	[[(2~{r},3~{s},5~{r})-5-[4-[(4~{r})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CC(=O)N[C@H](CC1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl	91U	n-acetyl-3-cyclohexyl-d-alanyl-n-(3-chlorobenzyl)-l-prolinamide
+c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCCNc4ccc5nncn5n4	91V	n-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine
+C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@H]4CC[C@H](O4)C(C)(C)O	91W	(1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{r},5~{s})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+c1ccc2c(c1)C(=O)c3ccc(cc3S2(=O)=O)c4[nH]nnn4	91X	3-(1h-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione
+c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)C4CCCCC4	91Y	3-[(cyclohexanecarbonyl)amino]-n-(2,3-dihydro-1h-inden-2-yl)pyrazine-2-carboxamide
+Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@@H]6[C@@H](C[C@@]6(C5)C)N	920	4-[(1s,5r,6r)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-n-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9h-pyrimido[4,5-b]indol-8-amine
+CC(=CCN(c1cccc(c1)Oc2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C	921	n-methyl-n'-(3-methylbut-2-en-1-yl)-n'-(3-phenoxyphenyl)-n-[trans-4-(pyridin-4-yl)cyclohexyl]urea
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)OCc2ccccc2)O	922	(5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+CC(C)([C@H]1Cc2cc(ccc2O1)/C=C\3/C(=C(C(=O)O3)c4ccc5c(c4)C[C@@H](O5)C(C)(C)O)O)O	923	(5z)-4-hydroxy-3-[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5h)-one
+c1ccc(cc1)CC(=O)N2CCc3c2ccc(c3)c4csc5c4c(ncc5)N	924	1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1h-indol-1-yl]-2-phenylethanone
+CC1(CC(CC(N1O)(C)C)NC(=O)c2cccc(c2)c3cc4nccc(n4n3)Nc5cccc(c5)O)C	925	3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-n-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide
+Cn1ccnc1Sc2cccc(c2)C3=CC=CC(=O)N3	926	6-{3-[(1-methyl-1h-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1h)-one
+CC(=CCN(c1cccc(c1)NC(=O)c2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C	927	n-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide
+c1cc(ccc1n2c(c(cn2)C#N)N)Cl	928	5-amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile
+CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](C)C[C@@H]([C@H](COCc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O	929	n-[(2s,3s,5r)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2s)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+CC1CCN(CC1)C(=O)[C@@H](Cc2ccc(cc2)NC(=O)CCc3ccc(cc3)Cl)NC(=O)CCC(C)C	92A	n-[(2r)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide
+C1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C(=O)O	92B	(3~{s},7~{r},10~{r},13~{s})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+Cn1cc(cn1)/C=C\2/c3cc(ccc3NC2=O)Cl	92C	(3z)-5-chloro-3-[(1-methyl-1h-pyrazol-4-yl)methylidene]-1,3-dihydro-2h-indol-2-one
+Cc1ccc(cc1c2cc(ncn2)N3CCOCC3)C(=O)Nc4cccc(c4)C(C)(C)C	92D	n-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide
+CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)NC(=O)C)C(=O)C	92E	~{n}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(C(=NC3=NC2=O)N)C#N)COP(=O)(O)O)O	92F	7-amino-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-2-oxo-2,3-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
+c1cc(ccc1c2csc(n2)N)O	92G	4-(2-amino-1,3-thiazol-4-yl)phenol
+CN(C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4	92H	~{n}-[[(3~{r})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-3-yl]methyl]-~{n}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3C[S@](=O)C[C@@H](NC2=O)C(=O)N(C)C	92I	(3s,5s,8r)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
+Cc1c(cc(cn1)NC(=O)c2cccc(c2)C(F)(F)F)c3cc(c(nc3)OC4CCOCC4)N5CCOCC5	92J	n-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide
+c1ccc(c(c1)C(=O)C(=O)O)N	92K	isatinic acid
+CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O	92L	2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione
+CN1c2cnc(nc2N(CCC1=O)C3CCCC3)Nc4ccc(cc4OC)N5CCC(CC5)O	92M	9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5h-pyrimido[4,5-b][1,4]diazepin -6(7h)-one
+B1(c2ccc(cc2CO1)Oc3ccc(cc3)C=O)O	92N	4-[(1-oxidanyl-3~{h}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde
+CCc1cccc2c1[nH]cc2C3CCNCC3	92O	7-ethyl-3-(piperidin-4-yl)-1h-indole
+COC(=O)c1c[nH]c2c1cccn2	92P	1h-pyrrolo[2,3-b]pyridine-3-carboxylic acid
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@H]4CCNC4)Cl	92Q	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{s})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
+CN(C)Cc1ccc(cc1)C2=Cc3c(cccc3OC)C(=O)N2	92R	3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2h)-one
+CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCC(=O)c5ccc(cc5)F	92S	1-(4-fluorophenyl)-4-[(10~{r},15~{s})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
+c1ccc(c(c1)n2c(nnc2C3CC(C3)N4c5ccc(cc5NC4=O)C#N)c6ccncn6)Cl	92T	1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{h}-benzimidazole-5-carbonitrile
+CCN1c2ccc(cc2N(S1(=O)=O)CC)C(=O)c3cnn(c3O)C	92U	[1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
+COc1ccc(cc1)n2c(c(cn2)C(=O)NCCCS)C(F)(F)F	92V	1-(4-methoxyphenyl)-n-(3-sulfanylpropyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxamide
+Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCN(C[C@@H]3C)C(=O)CN	92W	2-amino-1-[(3s)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one
+Cc1ccccc1N2C(=O)c3c(c(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C	92X	1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
+CN(C)C[C@H]1[C@H]2CC[C@](C2)([C@H]1O)c3ccccc3	92Y	(1r,2s,3r,4s)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol
+C1C=C(C(=O)N=C1)N	92Z	5-azanyl-3~{h}-pyridin-6-one
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@@H]5CCCN5	930	6-chloro-n-((3s)-2-oxo-1-{4-[(2s)-2-pyrrolidinyl]phenyl}-3-pyrrolidinyl)-2-naphthalenesulfonamide
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@H]5CCCN5	931	6-chloro-n-((3s)-2-oxo-1-{4-[(2r)-2--pyrrolidinyl] phenyl}-3-pyrrolidinyl)-2-naphthalenesulfonamide
+Cc1csc(c1c2[nH]ncn2)NC(=O)CN3c4ccccc4CCC3=O	932	n-[4-methyl-3-(1h-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2h)-yl)acetamide
+C[C@@H](C(C)(C)C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	933	2-cyclopropyl-n-[(2s)-3,3-dimethylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CC(=O)N1CCC(CC1)Nc2cccc3c2nc(nc3)Nc4cnn(c4)C	934	1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone
+[H]/N=C/c1cccc(n1)c2ccc(c(c2)C(F)(F)F)OCCCN3CCN(CC3)C	935	(e)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine
+Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-]	936	5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione
+CN1CCN(CC1)c2ccc(c(c2)Nc3ncc4c(n3)-c5c(c(nn5CCO)C(=O)N)CC4)OC(F)(F)F	937	1-(2-hydroxyethyl)-8-[[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino]-4,5-dihydropyrimido[5,4-g]indazole-3-carboxamide
+c1c(c(ncn1)Cl)N	938	4-chloranylpyrimidin-5-amine
+Cn1cc(cc1c2ccnc(n2)Nc3cc(ccc3OC(F)(F)F)N4CCN(CC4)C)C(=O)N	939	1-methyl-5-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1h-pyrrole-3-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NS(=O)(=O)NC2=O	93A	[3,4-dihydroxy-5r-(2,2,4-trioxo-1,2r,3s,4r-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
+C1CNC(=S)NC1	93B	1,3-diazinane-2-thione
+c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O	93C	n-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrimidine-5-carboxamide
+c1c(c(nc(n1)N)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	93D	(1r)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-o-phosphono-d-erythro-pentitol
+c1cc(c(nc1)N)Cl	93E	3-chloranylpyridin-2-amine
+CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCc5ccccc5OC	93F	(10~{r},15~{s})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene
+Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)N)O	93G	9-n-(3-carboxy-4-hydroxyphenyl)ketomethyl-7-n-methylguanine
+COc1ccc(cc1)CCNCCc2ccc(c(c2)O)O	93H	4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol
+CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3)N4CCOCC4	93I	7-methyl-2-morpholin-4-yl-9-[(1~{r})-1-phenylazanylethyl]-3~{h}-pyrido[1,2-a]pyrimidin-4-one
+CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F	93J	(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide
+c1cc(c(cc1C(=O)N)N)N	93K	3,4-bis(azanyl)benzamide
+Cc1nnc2n1nc(cc2NC3CCN(CC3)C)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4CNC5=O	93L	(1r,9s)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O	93M	(3r,5s,9r,26s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name)
+CN1CCN(CC1)CCCOc2ccc(cc2C(F)(F)F)c3cccc(n3)C#N	93N	6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile
+Cc1c(c(c(c(n1)C)C(=O)OC/C=C/c2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OCCOC	93O	2-methoxyethyl (2e)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O	93P	(3r,5s,9r,23s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name)
+Cc1cccnc1N	93Q	3-methylpyridin-2-amine
+CCOC(=O)c1c(nc(c(c1c2cccc(c2Cl)Cl)C(=O)OC)C)C	93R	ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCOCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl	93S	n,n'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide)
+Cc1c(c(n2c(n1)cc(n2)c3ccc(cc3)Br)C)CCC(=O)O	93T	3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
+Cc1c(c(c(c(n1)C)C(=O)OCCN(C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC	93U	2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
+COc1ccc(cc1)c2c(c(co2)C(=O)O)C(=O)O	93V	2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
+c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@H](Cc3c[nH]c4c3cccc4)C(=O)O)O	93W	(2~{r})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{h}-indol-3-yl)propanoic acid
+COc1ccc(cc1O)[C@H]2[C@@H](C(=O)N2c3cc(c(c(c3)OC)OC)OC)CO	93X	(3~{r},4~{r})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl	93Y	n,n'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
+C([C@@H]1[C@H]([C@@H]([C@H](C([C@H]1OS(=O)(=O)O)O)O)O)O)O	93Z	[(1~{s},2~{r},3~{r},4~{s},5~{r})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate
+Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)NCCO4)C	940	(2s)-2-[2-(3,4-dihydro-2h-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O	941	2-(4-{2-tert-butoxycarbonylamino-2-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)-butylcarbamoyl]-ethyl}-phenoxy)-malonic acid
+CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)c2ccccc2)N	942	n-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-n-methyl-benzamide
+C([C@@H]1[C@H]([C@@H]([C@H](C([C@@H]1OS(=O)(=O)O)O)O)O)O)O	945	[(1~{r},2~{r},3~{r},4~{s},5~{r})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate
+c1ccc2cc(ccc2c1)CNC[C@@H](c3ccc(c(c3)O)O)O	946	4-[(1~{r})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol
+CCc1cc(ccc1c2ccccc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	947	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-ethyl[1,1'-biphenyl]-4-sulfonamide
+C([C@H]1[C@@H]2[C@@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O	948	(1~{r},2~{s},3~{s},4~{r},5~{r},6~{r})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
+CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C	949	4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide
+CC(C)NC(=O)O[C@@H]1CC[C@](c2c1nnn2Cc3ccc(cc3)OC)(C)O	94A	(4r,7s)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate
+C([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O	94B	(1~{s},2~{s},3~{s},4~{r},5~{r},6~{s})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
+CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4F)Cl	94C	1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
+CC(C)Cc1c(nc(s1)N)c2ccc(o2)P(=O)(O)O	94D	{5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)O2)O)O)O)O	94E	(3~{a}~{r},4~{r},5~{s},6~{r},7~{r},7~{a}~{s})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol
+CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4C(F)(F)F)Cl	94F	1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one
+c1cc(ccc1S(=O)(=O)NC(=O)Nc2cc(ccn2)Br)Cl	94G	n-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide
+c1ccc(cc1)[C@H](CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4	94H	~{n}-[(1~{r})-2-azanyl-1-phenyl-ethyl]-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
+[H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2cncnc2)N3CCCCCC3)N	94I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl	94J	n,n'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
+Cc1c(cc(s1)c2ccccc2Cl)C(=O)N[C@@H](CN)c3ccccc3	94K	~{n}-[(1~{r})-2-azanyl-1-phenyl-ethyl]-5-(2-chlorophenyl)-2-methyl-thiophene-3-carboxamide
+Cc1cccc(c1N2C(=O)c3cc(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C	94L	3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
+Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N	94M	6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9h-purin-2-amine
+c1cc(c(c(c1)Br)O)Br	94N	2,6-bis(bromanyl)phenol
+c1ccc2c(c1)C3=NC4=NC(=O)N(C=C4C=C3C2=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O	94O	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-2h-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,6(3h)-dione
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC4(N=N4)CCC#C)O	94Q	~{s}-[2-[3-[[(2~{s})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 9-(3-but-3-ynyl-1,2-diazirin-3-yl)nonanethioate
+C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	94R	(3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol
+CC(C)Cc1cc(ccc1OC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br	94S	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-methoxy-3-(2-methylpropyl)benzene-1-sulfonamide
+CCCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O	94T	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate
+CCN(CC)c1ccc(cc1)NC(=O)c2cc3c([nH]2)ncs3	94U	n-[4-(diethylamino)phenyl]-4h-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
+c1ccc(c(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl	94V	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide
+COc1ccc2c(c1)sc(n2)N	94W	6-methoxy-1,3-benzothiazol-2-amine
+C/C(=C/[C@H](Cc1ccc(cc1)Br)O)/C(=O)O	94X	(2z,4s)-5-(4-bromophenyl)-4-hydroxy-2-methylpent-2-enoic acid
+c1cc(c(cc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Cl	94Y	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4-dichlorobenzene-1-sulfonamide
+c1cc(cc(c1)NC(=O)CCC(=O)N2CCN(CC2)c3ccc(cc3)F)C(=O)N	94Z	3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butanoyl]amino]benzamide
+CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)F	950	2-{5-[amino(iminio)methyl]-6-fluoro-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate
+c1ccc(c(c1)c2ccc(o2)/C=N/Nc3ccccc3C(=O)O)Cl	951	2-[(2e)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3cccc(c3)Oc4ccccc4	952	5-methyl-1-[(3~{s})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione
+c1cc(c(cc1C(F)(F)F)c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl	953	5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1h-pyrrole-3-carboxamide
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)SC)F)C)c4ccc(s4)C#N	954	5-{(2e,4ar,7ar)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile
+CN1c2ccccc2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)c4cccs4	956	1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CC2)c3cc(cs3)CC(C)(C)C)O	957	n-[(1s,2r)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide
+Cc1cccc(c1)c2nnc(o2)Cn3c4c(nc3N(C)C)N(C(=O)N(C4=O)C)C	958	8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione
+CC(=O)CNC(=O)OCc1ccccc1	959	benzyl (2-oxopropyl)carbamate
+c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O	95B	azotochelin
+c1ccc(cc1)CC(=O)Nc2cc(ccc2C(=O)N)[N+](=O)[O-]	95C	4-nitro-2-[(phenylacetyl)amino]benzamide
+Cn1cc(c2c1c(ccc2)OCC(=O)N)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	95D	2-[(3-{[(5-bromo-1,3-thiazol-2-yl)carbamoyl]sulfamoyl}-1-methyl-1h-indol-7-yl)oxy]acetamide
+CC[C@@H](CO)NCCN[C@@H](CC)CO	95E	ethambutol
+CCc1c(nc(nc1N2CCOCC2)N)C	95F	5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine
+Cn1c(c(c(n1)Cl)Cl)Oc2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	95G	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1h-pyrazol-5-yl)oxy]benzene-1-sulfonamide
+C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)c2ccc(cc2)[N+](=O)[O-])O	95H	~{n}-[(1~{r},2~{r})-1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propy l]-4-nitro-benzamide
+c1ccc(cc1)CNC(=S)N[C@@H](Cc2c[nH]cn2)C(=O)O	95I	n-(benzylcarbamothioyl)-l-histidine
+c1cc(sc1c2ccon2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	95J	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
+CC(C)CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]c(nn3)N	95K	1-(5-azanyl-4~{h}-1,2,4-triazol-3-yl)-~{n}-[2-(4-bromophenyl)ethyl]-~{n}-(2-methylpropyl)piperidin-4-amine
+c1cc2c(cc1F)c(c(cn2)C(=O)NN)N	95L	4-amino-6-fluoroquinoline-3-carbohydrazide
+CC(C)Cc1ccc(s1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br	95M	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
+CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]nc(n3)N	95N	1-(3-azanyl-1~{h}-1,2,4-triazol-5-yl)-~{n}-[2-(4-bromophenyl)ethyl]-~{n}-methyl-piperidin-4-amine
+Cc1nnc2n1cc(cc2N)C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O	95O	(1r,9s)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
+c1c(c(sc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Br	95P	4-bromo-n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide
+c1ccc(cc1)CN(CCc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N	95Q	1-(3-azanyl-1~{h}-1,2,4-triazol-5-yl)-~{n}-[2-(4-chlorophenyl)ethyl]-~{n}-(phenylmethyl)piperidin-4-amine
+COc1ccccc1[C@H]2CC(=O)NC3=C2C(=O)CCC3	95R	(4r)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1h,3h)-dione
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br	95S	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
+Cc1ccc2c(c1)[nH]nc2c3cccc(c3)NC(=O)C=C	95U	n-[3-(6-methyl-1h-indazol-3-yl)phenyl]prop-2-enamide
+Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	95V	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide
+CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cccc(n3)Oc4ccccc4	95W	5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione
+Cc1c(ccc2c1cc(cc2)O[C@@H](C)c3c(ccc(c3Cl)F)Cl)/C=C/C(=O)O	95X	(2e)-3-{7-[(1s)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)N3CCOCC3)Br	95Y	n-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)N)O)O)O	95Z	2-amino-2-deoxy-alpha-d-mannopyranose
+Cn1cc(cn1)c2cc3c(cnn3S(=O)(=O)c4cnc5n4nc(cc5)Cl)nc2	960	1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1h-pyrazol-4-yl)-1h-pyrazolo[4,3-b]pyridine
+CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C	961	3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid
+C[C@@H](CN(CCO)C[C@H](C)O)O	962	(2~{s})-1-[2-hydroxyethyl-[(2~{s})-2-oxidanylpropyl]amino]propan-2-ol
+COc1cc(cc(c1O)OC)C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O	963	(1r,9s)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
+CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)c2c(nccn2)C(=O)O	964	3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid
+c1ccc(cc1)C(C[N@](CCCOc2cccc(c2)CC(=O)O)Cc3cccc(c3Cl)C(F)(F)F)c4ccccc4	965	[3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid
+CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@H]([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@@H]6C(=O)c7ccc(cc7)OC)O)OC)OC(=O)C)OC)OC)COC	966	[(1s,2r,3r,4r,5r,6s,8r,9s,13s,16s,17r,18r)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate
+c1ccc2c(c1)c(cs2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	967	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-1-benzothiophene-3-sulfonamide
+c1ccc(c(c1)C(=O)O)N(c2cccc3c2cc(cc3)O)C(=O)C(=O)O	968	2-[(7-hydroxy-naphthalen-1-yl)-oxalyl-amino]-benzoic acid
+CC[C@@](C)(C1=CC(=O)c2c(cc3c(c2O1)C(=O)c4c(cccc4O)C3=O)C)O	969	11-hydroxy-2-[(2s)-2-hydroxybutan-2-yl]-5-methyl-4h-anthra[1,2-b]pyran-4,7,12-trione
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)N)Br	96A	n-{[4-bromo-6-(carbamoylamino)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
+c1ccc(cc1)[C@H]2CCCN2	96B	(2r)-2-phenylpyrrolidine
+CCOc1ccc(cc1)c2cn(nc2c3cc(c(c(c3)OC)OC)OC)C	96C	4-(4-ethoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)-1h-pyrazole
+c1cc(cc(c1)S(=O)(=O)NC(=O)Nc2cnc(cn2)C#N)OC(F)F	96D	n-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
+CCCN(CCCCCO)CCO	96E	5-[2-hydroxyethyl(propyl)amino]pentan-1-ol
+CC[C@](C)(C(=O)CC(=O)c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)C)O	96F	1,8-dihydroxy-2-[(4r)-4-hydroxy-4-methyl-3-oxohexanoyl]-3-methylanthracene-9,10-dione
+COc1ccc(cc1)c2ccc(s2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	96G	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
+C[C@@H](CN(C[C@H](C)O)C[C@H](C)O)O	96H	triisopropanolamine
+CCc1c(c(nc(c1C#N)N2CCC(CC2)N)N[C@H](c3ccccc3)C(=O)N)C#N	96I	(2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide
+Cc1cccc(c1)S(=O)(=O)NC(=O)Nc2c(c(ns2)C)Br	96J	n-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
+CCCN(CCC)CCCCCCO	96K	6-dipropylamino-1-hexanol
+Cc1nnc2n1nc(cc2NC3CCN(CC3)CC(C)(C)F)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4[C@H](NC5=O)C(C)C	96L	(1r,9s,12r)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
+CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C	96M	6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+CCc1c(c([nH]c1C(=O)NCc2cccc3c2cccc3)C)C(=O)C	96N	4-ethanoyl-3-ethyl-5-methyl-~{n}-(naphthalen-1-ylmethyl)-1~{h}-pyrrole-2-carboxamide
+Cn1cc(nn1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	96O	(1-methyl-1h-1,2,3-triazol-4-yl)methyl alpha-d-mannopyranoside
+c1cc(cc(c1)OC(=O)NC[C@@H](COC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)C(F)(F)F	96P	(2s)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate)
+c1cc(ccc1c2cc3cc(oc3c(c2)c4ccc(cc4)F)CNC(=O)/C=C/c5ccc(nc5)N)C(=O)N6CCC(CC6)(F)F	96Q	(~{e})-3-(6-azanylpyridin-3-yl)-~{n}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide
+c1cc2c(cc(nc2c(c1)O)N)n3ccnc3	96R	2-amino-4-(1h-imidazol-1-yl)quinolin-8-ol
+CCN1C(=CN(C1=O)Cc2[nH]c3ccc(nc3n2)Cl)Cc4ccc(cc4Cl)OC	96S	1-[(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2h-imidazol-2-one
+CC1(c2ccccc2[N+](=C1/C=C/C=C\3/C(c4ccccc4N3CCCO)(C)C)CCCO)C	96T	3-[(2~{z})-2-[(~{e})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol
+c1cn(cn1)c2cc(nc3c2cc(cc3O)O)N	96U	2-amino-4-(1h-imidazol-1-yl)quinoline-6,8-diol
+Cc1cc2c([nH]1)C(=O)N(C=C2C(=O)N(C)C3CCN(CC3)[C@@H](C)c4ccccc4)CC=C	96V	n,2-dimethyl-7-oxo-n-{1-[(1s)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-4- carboxamide
+CC(=O)Nc1cc(c2cccc(c2n1)O)Cn3ccnc3	96X	n-{8-hydroxy-4-[(1h-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
+Cc1cncc(n1)c2cc3c(cn2)cnn3c4cccc(n4)[C@H]5CNCCC5(F)F	96Y	1-{6-[(3r)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1h-pyrazolo[4,3-c]pyridine
+C1C=CC2=CCC(=C2C=C1)C[C@@H](C(=O)O)N	96Z	(2~{s})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid
+CC(=C)[C@H]1Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O1	970	(2r,6as,12as)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6ah)-one
+CN1CCN(CC1=O)c2cc3c(cn2)[nH]nc3c4cccc(n4)N5CCNCC5	971	1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1h-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one
+CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)Cl	972	2-{5-[amino(iminio)methyl]-6-chloro-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate
+c1ccc2c(c1)cccc2\C=C/3\C(=C(C(=O)O3)c4ccc(cc4)Cl)O	973	(5z)-3-(4-chlorophenyl)-4-hydroxy-5-(1-naphthylmethylene)furan-2(5h)-one
+Cn1ccnc1c2cccc(c2)Oc3c(c(c(c([nH+]3)Oc4cc(ccc4O)C(=N)N)F)N5CCC[C@H](C5)C(=O)O)F	974	1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy] pyridin-4-yl]piperidine-3-carboxylic acid
+c1cc(c(cc1CCO)O)O	975	4-(2-hydroxyethyl)benzene-1,2-diol
+CCC[C@@H](c1c(nc2ccc(cc2c1c3ccccc3)Cl)C)C(=O)O	976	(2s)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid
+c1ccc(cc1)c2c(c(nc(n2)N)O)Br	977	2-amino-5-bromo-6-phenylpyrimidin-4-ol
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCN5CCNCC5	979	5,6-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
+CC[C@H]1[C@H](CC(=O)N1c2ccc(c(c2)C(F)(F)F)C#N)O	97A	4-[(2s,3s)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
+CN1CCN(CC1)C(=O)c2ccc(cc2)Nc3ncc4c(n3)-c5ccc(cc5C(=NC4)c6c(cccc6F)F)Cl	97B	9-chloro-7-(2,6-difluorophenyl)-n-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5h-pyrimido[5,4-d][2]benzazepin-2-amine
+CCCCC(=O)OCCOCCC[C@@H](CC)O	97C	2-{[(4r)-4-hydroxyhexyl]oxy}ethyl pentanoate
+c1ccc(c(c1)n2c(nnc2c3ccncn3)c4ccc(cc4)N5c6ccc(cc6NC5=O)C#N)Cl	97E	1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{h}-benzimidazole-5-carbonitrile
+c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)N	97H	2-(3-aminophenyl)-3~{h}-quinazolin-4-one
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc4c(c3)c[nH]n4	97K	2-(2~{h}-indazol-5-yl)-3~{h}-quinazolin-4-one
+Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)CN)c4c(c5ccccc5s4)C#N	97L	(2m)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1h-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile
+CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)O	97M	(2r)-2,3-dihydroxypropyl (9z)-hexadec-9-enoate
+CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O	97N	(2s)-2,3-dihydroxypropyl (9z)-hexadec-9-enoate
+COc1ccc(cc1)c2c-3c(n[nH]2)CCc4c3cc(c(c4OC)OC)OC	97O	6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{h}-benzo[e]indazole
+c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)O	97Q	2,8-bis(trifluoromethyl)quinolin-4-ol
+c1ccc(c(c1)c2ccno2)O	97T	2-(1,2-oxazol-5-yl)phenol
+C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl	97U	(2~{s})-2-[[(3~{r})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid
+CS(=O)(=O)c1cccc(c1)NC(=O)N(Cc2ccc(cc2)C(=O)Nc3[nH]nnn3)c4ccc(cc4)C5CCCCC5	97V	4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-n-(1h-tetrazol-5-yl)benzamide
+c1cc2c(ccnc2cc1C(F)(F)F)O	97W	7-(trifluoromethyl)quinolin-4-ol
+Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)CN)c4ccc5ccccc5c4C#N	97X	(2p)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1h-pyrazol-5-yl}naphthalene-1-carbonitrile
+CC1(CC(C1)[C@H](c2ccc(cc2)C(=O)NCCC(=O)O)Nc3ccc(nc3)n4cc(nc4)C(F)(F)F)C	97Y	n-{4-[(r)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1h-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOCC4	97Z	2-[4-morpholin-4-yl]-3,4-dihydroquinazolin-4-one
+C[C@@H]1CC(=O)Nc2ccccc2N1	98	(4r)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O	980	(2s)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one
+CCN1c2c(cnc(n2)Nc3ccc(c(c3)F)N4CCNCC4)C=C(C1=O)c5ccc(cc5Cl)Cl	981	6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(piperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+c1cc2c(c(sc2nc1)C(=O)O)OCC(=O)O	982	3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid
+CC(C)[C@H](NS(=O)(=O)C[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O	983	(5s,9r,10r,12s)-12-[3-(aminomethyl)phenyl]-5-benzyl-10-hydroxy-9-isopropyl-3-oxo-1-phenyl-2-oxa-7-thia-4,8-diaza-10-phosphatridecan-13-oic acid 7,7,10-trioxide
+CCCn1c(c(nc1C2CCN(CC2)C)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CC5	984	cyclopropyl-{4-[5-(3,4-dichlorophenyl)-2-[(1-methyl)-piperidin]-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine
+C[N@]1CCCN(CC1)c2cncc(n2)c3cccc(c3)\C=C\C(=O)O	985	(2e)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid
+C[C@@H]1CC(=O)Nc2ccccc2N1	986	(4r)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+C[C@@H](C(=O)N1CCC[C@@H](C1)N)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl	987	n-[(3s)-1-{(2s)-1-[(3s)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamid e
+c1cc(cc(c1)[N+](=O)[O-])c2cc(cc3c2nccc3)Cc4ccncc4	988	8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline
+CCCCCNC(=O)[C@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)C	989	2-{[4-(2-acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-yl]-oxalyl-amino}-benzoic acid
+C[C@@H](c1ccccc1)N	98B	(1s)-1-phenylethanamine
+COc1ccc(cc1)CNCC(=O)NCc2ccc(cc2)OC	98C	n,n~2~-bis[(4-methoxyphenyl)methyl]glycinamide
+C[C@@H](c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O	98D	1-{6-[(1s)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+Cc1c(cc(cc1NC(=O)c2cnc(nc2)C)Cl)CN3CCN([C@H](C3)C)C(=O)C4CCCC4	98E	(s)-n-(5-chloro-3-((4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl)methyl)-2-methylphenyl)-2-methylpyrimidine-5-carboxamide
+C[C@H](c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O	98G	1-{6-[(1r)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+C[C@H](CC/C=C(\C)/CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C	98H	(5r,10s,13r,14r,17r)-17-((r,e)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthrene-3,7(4h)-dione
+C(CO)C(=O)CC(=O)O	98J	5-hydroxy-3-oxopentanoic acid
+c1ccc2c(c1)[nH]c(n2)Cl	98K	2-chloranyl-1~{h}-benzimidazole
+CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(c(c4)Cl)N5CCN(CC5)C)C(=O)N2CC=C)O	98M	6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+CCS(=O)(=O)c1ccc(nc1)CNC(=O)c2cc3c(nc2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	98N	(s)-n-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4s)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5h-pyrrolo[3,4-b]pyridine-3-carboxamide
+C[n+]1ccc(c(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl	98P	d-phenylalanyl-n-[(4-chloro-1-methylpyridinium-3-yl)methyl]-l-prolinamide
+COc1cc2cc[nH]c2cc1C(F)(F)F	98Q	5-methoxy-6-(trifluoromethyl)-1~{h}-indole
+CCCCCCCC=CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC/C=C/CCCCCCC	98R	[(2s)-2-[(e)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate
+COC(=O)c1ccc(c(c1)I)O	98T	methyl 3-iodanyl-4-oxidanyl-benzoate
+COC(=O)c1cc(cc(c1)O)C(=O)OC	98W	dimethyl 5-oxidanylbenzene-1,3-dicarboxylate
+c1ccc2c(c1)c(c[nH]2)C#N	98Z	1~{h}-indole-3-carbonitrile
+Cc1c2c(nc(n1)N)C[C@@H](NC2=O)c3ccc(cc3c4cccc(n4)OC)F	990	(7r)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6h)-one
+c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N	991	2-{5-[amino(iminio)methyl]-6-chloro-1h-indol-2-yl}-6-(cyclopentyloxy)benzenolate
+Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl	992	5-[[6-chloranyl-5-(1-methylindol-5-yl)-1h-benzimidazol-2-yl]oxy]-2-methyl-benzoic acid
+CNc1nccn1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl	993	3-chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide
+COc1cc(cc(c1OC)OC)Nc2ncnc(n2)c3cccnc3Nc4ccccc4	994	4-(2-anilinopyridin-3-yl)-n-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
+CC(C)CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)N)C(=O)c1nccs1	995	4-methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide
+CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Cc3c2cn(n3)CC(C)(C)C)(C)C)O	996	n-[(2s,3r)-4-{[(4s)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2h-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide
+C[C@@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC	997	1-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-4-phenoxy-pyrrolidine-2-carboxylic acid(1,2,3,4-tetrahydro-naphthalen-1-yl)-amide
+C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]2CCCc3c2cccc3)C(C)(C)C)NC	998	n-methylalanyl-3-methylvalyl-n-(1,2,3,4-tetrahydronaphthalen-1-yl)prolinamide
+[C@@H]([C@@H](C(=O)O)O)(C(=O)O)N	999	(3s)-3-hydroxy-d-aspartic acid
+Cc1cc(c(cc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5)C)C(=O)N	99A	n-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
+CC[C@@H](C)Nc1cc(c(cc1C(=O)N)C)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)C5CC5	99B	5-[(2r)-butan-2-ylamino]-n-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide
+Cc1ccc(cc1)C/C(=C\COP(=O)(O)OP(=O)(O)O)/CO	99C	(2e)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate
+CCc1c(c([nH]c1C(=O)NCc2c(ccc3c2c(ccc3)O)O)C)C(=O)C	99E	~{n}-[[2,8-bis(oxidanyl)naphthalen-1-yl]methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(N(C4=O)CC=C)c5cccc(n5)[C@@H](C(F)(F)F)O	99J	6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1s)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+c1cc(c(nc1)Nc2c(cc(cn2)C(F)(F)F)Cl)[N+](=O)[O-]	99K	3-chloranyl-~{n}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@H](C4)O	99L	1-ethyl-6-[(3r)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one
+CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCOCC5)C(=O)N2CC=C)O	99M	1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo [3,4-d]pyrimidin-3-one
+C[C@H](CCC(=O)NCc1ccc(cc1)OCCN2CCOCC2)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OS(=O)(=O)O)C)C	99N	[(3~{s},8~{s},9~{s},10~{r},13~{r},14~{s},17~{r})-10,13-dimethyl-17-[(2~{r})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{h}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H](C4)O	99O	1-ethyl-6-[(3s)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccnc3)N	99P	d-phenylalanyl-n-(pyridin-3-ylmethyl)-l-prolinamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H](C4)N	99R	6-[(3s)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)C(=O)OC)C#N)C(C)C)C#N)N	99S	methyl 5-{3-[(4s)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate
+C(CC(=O)N[C@@H](CSCCC(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	99T	l-gamma-glutamyl-s-(2-carboxyethyl)-l-cysteinylglycine
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4	99U	1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one
+CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(c(c4)F)N5CCN(CC5)C)C(=O)N2CC=C)O	99V	6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H]4CO	99X	1-ethyl-6-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one
+c1cc(ccc1C[C@H](C(=O)O)N)C(=O)O	99Y	4-carboxy-d-phenylalanine
+Cc1ccccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	99Z	4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc3ccccc3	9A0	2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-n-phenylpropanamide
+c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O	9A3	(2s)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-{[4-(trifluoromethyl)phenyl]methyl}imidazo[1,2-a]pyrazin-3(2h)-one
+C/C=C\CO	9A4	(2z)-but-2-en-1-ol
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N	9A5	(2~{s})-2-azanyl-~{n}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{h}-indol-3-yl)propanamide
+Cc1cc(n[nH]1)Nc2c3ccc(cc3nc(n2)/C=C/c4ccccc4)N5CCN(CC5)C	9A6	7-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]quinazolin-4-amine
+C/C=C/CO	9A7	(2e)-but-2-en-1-ol
+CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	9A8	2-(4-propan-2-yloxyphenyl)-3~{h}-quinazolin-4-one
+COc1ccc(c(c1)OC)C[C@@]2(C(=O)NC(=S)N2)O	9AA	(5s)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one
+c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br	9AB	8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid
+c1ccc2c(c1)c(c3ccccc3n2)C=O	9AC	9-acridinecarbonyl
+CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2N	9AD	9-amino-(n-(2-dimethylamino)ethyl)acridine-4-carboxamide
+C[C@@H](CCCC(C)C)NC(C)C	9AE	(2~{s})-6-methyl-~{n}-propan-2-yl-heptan-2-amine
+CC1=C(C(C(=C(N1)C)C(=O)OC)c2cccc(c2)NC(=O)NCCCN3CCC(CC3)c4cccc(c4)OC)C(=O)OC	9AF	dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
+CNCc1ccc(cc1)Oc2ccccc2	9AG	n-methyl-1-(4-phenoxyphenyl)methanamine
+CCCN(CCC)CCCC#N	9AH	4-(dipropylamino)butanenitrile
+C=CCNC=S	9AI	n-prop-2-en-1-ylthioformamide
+C[C@H]1CN(CCN1c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8	9AJ	2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2s)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2h-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6h)-one
+CC(C)(CNCCO)N	9AK	n1-(2-hydroxyethyl)-2-methyl-1,2-propanediamine
+CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)N)O	9AL	(2s,3s)-3-amino-2-hydroxy-n-[(1r)-1-phenylpropyl]butanamide
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)O	9AM	9-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
+c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O	9AN	2-(3-hydroxyphenyl)-3~{h}-quinazolin-4-one
+CCC(=O)NCCNC(=O)/N=C(\N)/NCCC[C@H](C(=O)NCc1ccc(cc1)O)NC(=O)C(c2ccccc2)c3ccccc3	9AO	n~2~-(diphenylacetyl)-n-[(4-hydroxyphenyl)methyl]-n~5~-(n'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-d-ornithinamide
+c1ccc2c(c1)cc(c3c2cccc3)N	9AP	9-aminophenanthrene
+CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	9AQ	2-(4-ethoxyphenyl)-3~{h}-quinazolin-4-one
+COc1c(ccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O	9AR	9-hydroxy aristolochic acid
+C[C@H]([C@@H](C(=O)N)N)O	9AT	(2s,3r)-2-amino-3-hydroxy-butanamide
+CC(=CCC/C(=C/CC/C(=C/CC1=C(c2ccccc2OC1=O)O)/C)/C)C	9AU	4-oxidanyl-3-[(2~{e},6~{e})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)c4ccccn4	9AW	2-(4-pyridin-2-ylphenyl)-3~{h}-quinazolin-4-one
+C[C@H]1CC=C2[C@H]([C@]1(C)CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)CCCC2(C)C	9AX	(2e)-3-methyl-5-[(1r,2s,8as)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
+Cc1ccc(c(c1)N)N	9AY	4-methylbenzene-1,2-diamine
+CC[C@](C1=C(C(=O)N2Cc3cc4c(cccc4nc3C2=C1)N)CO)(C(=O)O)O	9AZ	(2s)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
+CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C4CCCCCC4)C)O)O	9B0	[(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{r})-6-methyl-6-oxidanyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate
+CC1(Cc2c3c(sc2C1)C(=O)N(CC3)c4cccc(c4CO)C5=CN(C(=O)C(=C5)Nc6ccncn6)C)C	9B1	2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2h-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5h)-one
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCCCC4	9B2	2-(4-piperidin-1-ylphenyl)-3~{h}-quinazolin-4-one
+c1c(cnc(c1Cl)N)C[C@H](C[SeH])C(=O)O	9B3	(2~{s})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid
+C[C@H](COCC(CO)(COC[C@@H](C)OC[C@@H](C)O)COC[C@@H](C)OC[C@@H](C)O)O	9B4	(2r,5r,13r,16r)-9-(hydroxymethyl)-9-{[(2r)-2-hydroxypropoxy]methyl}-5,13-dimethyl-4,7,11,14-tetraoxaheptadecane-2,16-diol
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C)NC(=O)C)O	9B5	(2~{s},4~{r})-1-[(2~{s})-2-acetamidopropanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(on1)C)c2cc3c(c4c(cn3)NC(=O)N4c5ccccc5OC(F)(F)F)nc2OC	9B6	7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6NC=NC7=O)O)O)NC=NC2=O	9B7	3',3'-cdimp
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4COC4)O	9B8	(2~{s},4~{r})-1-[(2~{s})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+[H]/N=C(\NC)/NCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC[C@@](C(=O)N1)(C)NC(=O)C(C)C)c2ccccc2)CC	9BA	n-{(3r,6s,9s,12r)-6-ethyl-12-methyl-9-[3-(n'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide
+C1CC(CCC1C(=O)O)OC(=O)N/C(=C/S)/N	9BB	trans-4-({[(e)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid
+COCCOc1cc2c(cc1OC)c3cc(nc(c3cn2)N)n4ccnc4	9BD	2-(1h-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
+c1ccc(cc1)CNC=S	9BE	n-benzylthioformamide
+CC(=O)CCc1c[nH]c2c1cccc2	9BF	4-(1~{h}-indol-3-yl)butan-2-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N	9BG	2',5'-gpap
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CCC4)O	9BH	(2~{s},4~{r})-1-[(2~{s})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+C1COP(=O)(O[C@@H]2[C@@H](COP(=O)(O[C@H]1[C@H]([C@H](N3C=CC(=O)NC3=O)O)O)O)O[C@H]([C@@H]2O)N4C=CC(=O)NC4=O)O	9BJ	3',3'-cdump
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)NC(=O)C)O	9BK	(2~{s},4~{r})-1-[(2~{s})-2-[(1-acetamidocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/C(=O)OC)O)C=O	9BL	methyl (2e,6e)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-2,6-dimethylocta-2,6-dienoate
+Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC	9BM	4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C(=O)C)O	9BN	(2~{s},4~{r})-1-[(2~{s})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/[C@H](C)OC(=O)C)O)C=O	9BO	(2s,3e,7e)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate
+CC(C)C(=O)N[C@](C)(CCN)C(=O)O	9BP	4-amino-n-(2-methylpropanoyl)-d-isovaline
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C=O	9BR	3-chloro-4,6-dihydroxy-2-methyl-5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde
+c1ccnc(c1)c2ncccn2	9BS	2-(pyridin-2-yl)pyrimidine
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CO)O	9BT	(2~{s},4~{r})-1-[(2~{s})-3,3-dimethyl-2-(2-oxidanylethanoylamino)butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C(=C/COC(=O)C(C)C)/C)O)C=O	9BU	(2e,6e)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate
+c1ccc2c(c1)c(n3c(n2)nnn3)O	9BV	tetrazolo[5,1-b]quinazolin-9-ol
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CC4)O	9BW	(2~{s},4~{r})-1-[(2~{s})-2-(cyclopropylcarbonylamino)-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(/C)\CC/C=C(/C)\C=C\C(=O)C(C)(C)O)O)C=O	9BX	3-chloro-4,6-dihydroxy-5-[(2z,6z,8e)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde
+c1ccc2c(c1)nc(n2CC(=O)O)c3cscn3	9BY	[2-(1,3-thiazol-4-yl)-1h-benzimidazol-1-yl]acetic acid
+CC1([C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O)C	9BZ	(3~{r},5~{r},7~{a}~{s})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
+CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3	9C0	9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
+C(/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O)Cl	9C1	2-{[(2e)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-d-glucopyranose
+C([C@H]([C@H]([C@@H](C(=O)NN)O)O)O)OP(=O)(O)O	9C2	[(2~{r},3~{r},4~{s})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate
+CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3	9C3	9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2h-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
+C1[C@H]([C@@H](C([C@@H]([C@]1(C(=O)O)O)O)O)O)O	9C4	(2s)-2-hydroxy-3-epiquinic acid
+CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	9C5	2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{h}-quinazolin-4-one
+c1ccc(cc1)Oc2ccc(cc2)C3=CC=CN4C3=NS(=O)(=O)CC4	9C6	9-(4-phenoxyphenyl)-3,4-dihydro-2h-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
+CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	9C8	2-[4-(diethylamino)phenyl]-3~{h}-quinazolin-4-one
+Cn1cc(cn1)c2cccc(c2)NC(=O)CN3C/C(=N/N(C)C)/NC[C@H](C3=O)Cc4c(cccc4Cl)Cl	9C9	2-[(3z,6r)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-n-[3-(1-methyl-1h-pyrazol-4-yl)phenyl]acetamide
+c1ccc2c(c1)c3ccccc3[nH]2	9CA	9h-carbazole
+CN(CCO)c1ccc(cc1)C2=Nc3cc(ccc3C(=O)N2)Cl	9CB	7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{h}-quinazolin-4-one
+C[C@@H]1CCC[C@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	9CC	(3r)-6,8-dihydroxy-3-{[(2s,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one
+C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O	9CD	2-{[(2e)-but-2-enoyl]amino}-2-deoxy-beta-d-glucopyranose
+c1ccc(c(c1)C2=Nc3ccccc3C(=O)N2)N	9CE	2-(2-aminophenyl)-3~{h}-quinazolin-4-one
+C[C@@H]1CCC[C@@H](O1)C[C@@H]2Cc3cc(cc(c3C(=O)O2)O)O	9CF	(3s)-6,8-dihydroxy-3-{[(2r,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one
+c1cc2cccc3c2c(c1)COC3=O	9CG	1h,3h-naphtho[1,8-cd]pyran-1-one
+CN1c2c(n(c(n2)N3CCNCC3)Cc4nnc(o4)c5ccc(c(c5)Cl)Cl)C(=O)N(C1=O)C	9CH	7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione
+COc1cccc(c1)CC(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O	9CJ	2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
+c1ccc(c(c1)N2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br	9CK	1-[(4-aminophenyl)methyl]-3-[2-[2-(2-bromophenyl)pyrazolidin-1-yl]-2-oxidanylidene-ethyl]urea
+c1ccc(cc1)CCl	9CL	(chloromethyl)benzene
+CC1=C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N	9CM	(2s,5r)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCO[C@]34C5=[N]6C(=CC=C5)C7=[N]([Co]68([N]9=CC=CC=C9C1=CC=CC3=[N]81)([N]1=CC=CC=C41)[O])C=CC=C7)NC(=O)N2	9CO	[cobr(appy)-biot]br
+CC1=C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N	9CP	(2s,5r)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide
+CN(C)C(=O)Cc1ccc(cc1)c2c3ccccc3nc(n2)N	9CQ	2-[4-(2-aminoquinazolin-4-yl)phenyl]-n,n-dimethyl-acetamide
+CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C	9CR	(9cis)-retinoic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N	9CS	(1r,2s,3s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-d-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside
+CCC(=O)Nc1ccccc1C(=O)Nc2cc(n[nH]2)CCc3cc(cc(c3)OC)OC	9CT	~{n}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{h}-pyrazol-5-yl]-2-(propanoylamino)benzamide
+C[C@@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	9CU	(3r)-6,8-dihydroxy-3-{[(2r,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one
+CNC(=O)c1cc(c(nc1)NC2CCN(CC2)c3ccccn3)NCc4ccc(c(c4)Oc5ccccc5)F	9CV	5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{n}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide
+C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@@H]4CC[C@H](O4)C(C)(C)O	9CW	(1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{s},5~{s})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+C[C@H]1CCC[C@@H](O1)C[C@@H]2Cc3cc(cc(c3C(=O)O2)O)O	9CX	(3s)-6,8-dihydroxy-3-{[(2r,6s)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one
+c1ccc(cc1)C[C@@H](CO)NC(=O)c2ccc(cc2)c3ccncc3	9CY	n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide
+C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@@H]4CC[C@@H](O4)C(C)(C)O	9CZ	(1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{s},5~{r})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+CCCCCCCCNCc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3	9D0	n-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+c1cc(cc(c1)O)CN(CCN2CCCC2)c3nc4ccc(cc4s3)c5ccncc5	9D1	3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol
+CCC(CO)(CO)CO	9D2	2-ethyl-2-(hydroxymethyl)propane-1,3-diol
+CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3	9D3	n-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+c1cc(cc(c1)F)CNc2nc3ccc(cc3s2)c4ccncc4	9D4	n-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine
+CN(CCO)c1ccc(cc1)C2Nc3ccccc3C(=O)N2	9D5	2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{h}-quinazolin-4-one
+CCN(Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3)C4CCCCC4	9D6	n-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+c1ccc(cc1)C2=C3C=CC4=CC5=[N]6C(=C(c7ccc8n7[Zn]6(N43)[N]9=C2C=CC9=C8)c1ccc(cc1)C(=O)O)C=C5	9D7	[4-(15-phenylporphyrin-5-yl-kappa~4~n~21~,n~22~,n~23~,n~24~)benzoato(2-)]zinc
+CCCN(Cc1ccccc1)C(=O)c2ccc(cc2)S(=O)(=O)Nc3cccc(c3)Cl	9D8	4-[(3-chlorophenyl)sulfamoyl]-~{n}-(phenylmethyl)-~{n}-propyl-benzamide
+c1c(c2c([nH]1)C(=O)NC(=N2)N)CCCCC(F)(F)P(=O)(O)O	9D9	[5-(2-amino-4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-1,1-difluoropentyl]phosphonic acid
+c1c[nH]c2c1ncnc2N	9DA	9-deazaadenine
+Cn1cc(cn1)c2c3c4c(cc(cc4[nH]2)NC(=O)[C@@H](C5CCCCC5)N)C(=O)NN=C3	9DB	(2~{r})-2-azanyl-2-cyclohexyl-~{n}-[2-(1-methylpyrazol-4-yl)-9-oxidanylidene-3,10,11-triazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13),11-pentaen-6-yl]ethanamide
+C([C@@H](CS)S)O	9DC	(2s)-2,3-disulfanylpropan-1-ol
+c1cc(ccc1NS(=O)(=O)c2ccc(cc2)Br)S(=O)(=O)N	9DE	4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide
+c1c[nH]c2c1N=C(NC2=O)N	9DG	9-deazaguanine
+CN(CC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2ccccc2	9DH	2-[methyl(phenyl)amino]-~{n}-(4-sulfamoylphenyl)ethanamide
+c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	9DI	9-deazainosine
+CN(c1ccccc1)c2ccc3c(c2)CCC[C@H]3CNc4cnccc4C(=O)O	9DJ	3-[({(1r)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid
+CC(C)(C(=O)NCCc1c[nH]cn1)C(=O)O	9DK	3-[2-(1~{h}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O	9DN	dansyl-l-asparagine
+CC(C)(C)c1cc(n(n1)c2ccc3c(c2)C[C@H](NC3)C(=O)O)NC(=O)Nc4cccc(c4Cl)Cl	9DP	(3s)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
+C(c1[nH]nnn1)[C@@H](C(=O)O)N	9DQ	(2~{s})-2-azanyl-3-(1~{h}-1,2,3,4-tetrazol-5-yl)propanoic acid
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccncc3	9DR	6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
+CN(C)c1cccc2c1cccc2S(=O)(=O)[N@@](C)CC(=O)O	9DS	dansyl-l-sarcosine
+C[C@](Cc1ccccc1F)(C(=O)O)N	9DT	(2~{s})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid
+C[C@@H](CS)C(=O)NCc1ccccc1	9DU	(2r)-2-methyl-n-(phenylmethyl)-3-sulfanyl-propanamide
+CCc1cc(ccc1c2ccc(cc2)C[C@@H](C(=O)O)N)OC	9DW	(2~{s})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid
+C1CO[C@@H]2C[C@](O[C@@H]2[C@@H]1O)(C[C@@H](C(=O)O)N)C(=O)O	9DX	(2r,3ar,7r,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-7-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
+c1cnccc1c2csnn2	9DY	4-(1,2,3-thiadiazol-4-yl)pyridine
+Cc1cc(cc(c1)CCC[C@@H](C(=O)N)N)C	9DZ	(2~{s})-2-azanyl-5-(3,5-dimethylphenyl)pentanamide
+C[C@H]1c2c[nH]c3c2c(ccc3)S[C@H]1C(=O)O	9E0	(5~{s},6~{r})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid
+CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)S(=O)(=O)N	9E1	2-methoxy-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide
+Cc1c(c(nn1CC(=O)Nc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-])Cl	9E2	2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{n}-(4-sulfamoylphenyl)ethanamide
+c1cc2c(ccc(c2nc1)O)Cn3cc(nc3)F	9E3	5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol
+CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)C(=O)NC	9E4	4-methoxy-n~1~-methyl-n~3~-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide
+Cc1ccc2c(c(oc2c1C)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C	9E5	3,6,7-trimethyl-~{n}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide
+c1c(csc1Cl)C(=O)O	9E6	5-chloro thiophene-3-carboxylic acid
+C(CCNCS)C[C@@H](C(=O)O)N	9E7	n~6~-(sulfanylmethyl)-l-lysine
+c1cc(ccc1CCNC(=O)Nc2ccc(cc2)Cl)S(=O)(=O)N	9E8	1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
+c1cc(sc1C(=O)O)Cl	9E9	5-chloro thiophene-2-carboxylic acid
+Cc1c(c(nn1C)COc2ccc(cc2)N3CCN(CC3)C(=O)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)Cc8cccnc8	9EA	7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1h-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1h-indole-2-carboxylic acid
+C[C@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl	9EB	4-chloranyl-~{n}-[(1~{r})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide
+C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)Nc4ccc(cc4c5cccs5)F)C	9EC	(1r,2r,4s,5s,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium
+C(CCC(=O)N)CC(=O)N	9EE	adipamide
+CC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	9EF	n-[2-(acetylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl	9EG	n-(4-chlorophenyl)-n'-(3,4-dichlorophenyl)urea
+c1ccc2c(c1)cccc2NC(=O)c3cc(cnc3)N	9EI	5-amino-n-(naphthalen-1-yl)pyridine-3-carboxamide
+CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)N2CC[C@H]2C(=O)NC)c3cnn4c3nc(cc4)c5cccs5	9EJ	n-[(2s)-2-(diethylamino)propyl]-2-[(2s)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide
+CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCC5	9EK	~{n}-methyl-~{n}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-pyrrolidin-1-ylcarbonyl-2~{h}-indazole-5-carboxamide
+COc1cc2c(ccc3c2C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N)cc1C#N	9EL	(2s,3r)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1h-naphtho[2,1-b]pyran-8-carbonitrile
+CC(=O)N1CCN(C(=O)C1(C)C)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5CC(F)(F)F	9EM	4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1h-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCSCC3	9EN	~{n}-[[(5~{s})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide
+c1ccc(cc1)[C@@H](CO)NC(=O)c2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]ccn5)/C(=O)N3	9EO	(3z)-n-[(1s)-2-hydroxy-1-phenylethyl]-3-[(1h-imidazol-2-yl)(phenyl)methylidene]-2-oxo-2,3-dihydro-1h-indole-5-carboxamide
+CC(=O)OCC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O	9EP	(2r)-5-[(acetyloxy)methyl]-2-{(1r)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CC(=O)c1c(cccc1O)O	9EQ	1-[2,6-bis(oxidanyl)phenyl]ethanone
+CC(C)c1cc(c(c(c1)C(C)C)c2csc(n2)N(CCN(C)C)Cc3cccnc3)C(C)C	9ER	n1,n1-dimethyl-n2-[(pyridin-3-yl)methyl]-n2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine
+CCC(=O)Nc1cc(ccc1Nc2cc(ncn2)N(C)C(=O)Nc3c(c(cc(c3Cl)OC)OC)Cl)N4CCN(CC4)CC	9ES	n-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide
+Cc1cc2c3ccc(cc3[nH]c2c4c1O[C@@](C=C4)(C)COC(=O)C)O	9ET	murrayamine-i
+Cc1nc2cnccc2n1Cc3ccc(cc3F)C(=O)c4cn(c5c4c(ccc5)C#C)C(=O)N(C)C	9EU	4-ethynyl-3-{3-fluoro-4-[(2-methyl-1h-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-n,n-dimethyl-1h-indole-1-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)[C@@H]2N(CC(=O)O2)CCCC[C@@H](C(=O)O)N)O	9EV	6-[(2r)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-l-norleucine
+c1ccc2c(c1)c(no2)O	9EW	1,2-benzoxazol-3-ol
+C[C@@H](CO)CS	9EX	(2s)-2-methyl-3-sulfanyl-propan-1-ol
+COC(=O)Nc1ccc-2c(c1)NC(=O)CCCC[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	9EY	methyl [(7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
+Cn1c(cc(n1)c2ccccc2)N	9EZ	2-methyl-5-phenyl-pyrazol-3-amine
+c1cc(ccc1c2cc[n+](cc2)[Pt]34[NH2+]CC[NH+]3CC[NH2+]4)N(c5ccc(cc5)c6cc[n+](cc6)[Pt]78[NH2+]CC[NH+]7CC[NH2+]8)c9ccc(cc9)c1cc[n+](cc1)[Pt]12[NH2+]CC[NH+]1CC[NH2+]2	9F0	4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-n,n-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline
+Cc1cc(c(c(c1)F)C(=O)N[C@H]2C/C=C/[C@@H](CC(=O)Nc3cc(ccc3-c4c([nH]c2n4)Cl)NC(=O)OC)C)F	9F1	methyl [(4r,5e,8s)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O	9F2	ceftriaxone
+C1[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H](O[C@]3(O1)CO)CO)O	9F3	(2r,3's,4's,4ar,5'r,6r,7r,7as)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane ]-3',4',7-triol
+c1ccc(cc1)[C@@H]2[C@H]([C@@H]2C(=O)NO)c3ccc(cc3)c4ncc(cn4)F	9F4	(1r,2r,3r)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide
+c1ccc(cc1)Oc2cccc(c2)[C@@H](C(=O)O)O	9F5	(2~{s})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid
+c1ccc(c(c1)C(=O)/C=C/c2cccnc2)O	9F6	(2e)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one
+CC[C@@H]1CCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	9F7	methyl [(3r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
+Cc1cn(c2c1cccc2)CCC(=O)O	9F8	3-(3-methylindol-1-yl)propanoic acid
+CN1c2cc(c(cc2N(C1=O)C)N3CCCCC3)NC(=O)c4ccccc4OC	9F9	n-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1h-benzimidazol-5-yl]-2-methoxybenzamide
+C[C@@H]\1CC(=O)Nc2cc(ccc2-c3c[nH]c(n3)[C@H](C/C=C1)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)NC(=O)OC	9FA	methyl [(4r,5e,8s)-8-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+C1C[C@@H]([C@@H](C1)N)C(=O)O	9FB	(1~{s},2~{r})-2-azanylcyclopentane-1-carboxylic acid
+Cc1cccc(c1)Nc2c(cc(c(n2)N[C@@H]3CCCC[C@@H]3N)C#N)C(=O)N	9FC	6-{[(1r,2s)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide
+C[C@H]1CCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3NC(=O)C1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	9FD	methyl [(4s,8s)-8-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+c1cc2c(cc1C(=O)O)c(n[nH]2)Br	9FE	3-bromanyl-1~{h}-indazole-5-carboxylic acid
+Cn1c(ccc1c2ccc(cc2F)O)C#N	9FG	5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1h-pyrrole-2-carbonitrile
+Cc1c(cnn1c2ccccc2)C(=O)O	9FH	5-methyl-1-phenyl-pyrazole-4-carboxylic acid
+COc1ccc2c(c1)CCC[C@H]2CNc3cnccc3C(=O)O	9FJ	3-({[(1r)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid
+c1ccc2c(c1)cccc2n3cc(nn3)c4ccc(s4)S(=O)(=O)N	9FK	5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide
+c1ccc-2c(c1)Cc3c2cccc3	9FL	9h-fluorene
+CCCCCCOCCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1non2)NC	9FM	n-{2-[2-(hexyloxy)ethoxy]ethyl}-n~2~-methyl-n~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
+c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)O	9FN	2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	9FO	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1OS(=O)(=O)O2)O)O)O)O	9FQ	(3~{a}~{s},4~{r},5~{s},6~{r},7~{r},7~{a}~{r})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol
+CC1=C2[C@](C[C@@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3(O2)C)(C)C)C)(C5=C(C1=O)C(=O)OC5)C	9FR	(6as,8ar,12as,12br,13ar)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,11,12,12a,12b,13,13a-decahydro-3h-benzo[a]furo[3,4-j]xanthene-3,4,10(1h,6ah)-trione
+CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3[C@H]4[C@@H]3CN(C4)C5COC5	9FS	5-{5-[(1r,5s,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1h-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine
+COc1ccc(cc1)[C@H]2CCC(=O)NC2=O	9FT	(3r)-3-(4-methoxyphenyl)piperidine-2,6-dione
+CC1=C2[C@](CC3[C@@](O2)(CC[C@@H]4[C@@]3(C=CC(=O)C4(C)C)C)C)(C5=C(C1=O)C(=O)OC5)C	9FU	(6as,8ar,12as,12br,13ar)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3h-benzo[a]furo[3,4-j]xanthene-3,4,10(1h,6ah)-trione
+CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3CCN(CC3)C4COC4	9FV	5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1h-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine
+c1cc(cc(c1)F)C(=O)N/N=C/c2ccc(o2)Sc3ncccn3	9FX	3-fluoro-n'-[(e)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide
+Cc1cn(nn1)CCC[C@@H](C(=O)O)N	9FZ	(2~{s})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid
+c1ccc(c(c1)c2cccc(c2O)O)N	9G0	2'-amino[1,1'-biphenyl]-2,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC[C@@H](C(C5)C(=O)N)[P+](CCC(=O)O)(CCC(=O)O)CCC(=O)O)O)O)O)OP(=O)(O)O)N	9G1	[(4~{s})-3-aminocarbonyl-1-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]piperidin-4-yl]-tris(3-hydroxy-3-oxopropyl)phosphanium
+CCc1cn(nn1)CCC[C@@H](C(=O)O)N	9G2	(2~{s})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid
+c1c2c(cc(c1F)Cl)N=CN(C2=O)CC(=O)C[C@@H]3CCCCN3	9G3	7-chloro-6-fluoro-3-{2-oxo-3-[(2s)-piperidin-2-yl]propyl}quinazolin-4(3h)-one
+CC(=O)NCc1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl	9G4	1-{4-[(acetylamino)methyl]phenyl}-4-(4-chlorophenoxy)-6-oxo-1,6-dihydropyridazine-3-carboxamide
+CN1CCCN(CC1)C(=O)c2cccc(c2)c3ccc(o3)/C=C/4\c5cc(ccc5NC4=O)Cl	9G5	(3~{e})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{h}-indol-2-one
+COc1cc2c(cc1OCCNc3nc4ccccc4s3)c(ncn2)N5CCOCC5	9G6	n-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine
+CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)CC4CCNCC4)O	9G7	methyl [(4s)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3r)-1-[(piperidin-4-yl)acetyl]piperidin-3-yl}butyl]carbamate
+C[C@H](Cc1ccc2c(c1)OCO2)[C@@H](C)Cc3ccc4c(c3)OCO4	9G9	5,5'-[(2r,3s)-2,3-dimethylbutane-1,4-diyl]bis(2h-1,3-benzodioxole)
+Cc1cn2c(c(cn2)C(=O)N[C@@H](c3ccc(cc3)OC(F)(F)F)C(C)(C)O)nc1n4cnc(n4)C	9GA	n-{(1s)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1h-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CCC/C(=C/COP(=O)(O)O)/C	9GB	[(~{e})-3-methylhex-2-enyl] dihydrogen phosphate
+c1cc(ccc1CN(C2CCCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(c(c4)N)C(=O)O)CC5CCNCC5)Cl	9GD	2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid
+CC(C)CCCCCCCCC/C=C/C(=O)O	9GE	(~{e})-13-methyltetradec-2-enoic acid
+CCCCCCC(C)(C)c1ccc(c(c1)O)[C@@H]2C[C@@H](CC[C@H]2CCCO)O	9GF	2-[(1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
+CCN(CC)c1nc2c(c(c(c(c2s1)n3cccc3)I)O)C(=O)O	9GH	2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid
+COC[C@H](c1ccc(c(c1)F)OC(F)(F)F)NC(=O)N2CC(=O)Nc3c2ncc(c3)OC	9GJ	n-{(1s)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1h)-carboxamide
+c1ccc(cc1)CCOc2cc(c(c(c2n3cccc3)I)O)C(=O)O	9GK	3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid
+CCc1c2cc(ccc2[nH]c1C(=O)NCCc3ccc(cc3)N4CCCCC4)Cl	9GL	5-chloro-3-ethyl-n-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1h-indole-2-carboxamide
+c1nc2c(n1[C@H]3[C@H]([C@@H]([C@@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N	9GM	2-amino-9-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-l-xylofuranosyl}-1,9-dihydro-6h-purin-6-one
+CCCSc1cc(c(c(c1n2cccc2)I)O)C(=O)O	9GN	3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CO)O)O)O)O	9GP	n-(hydroxyacetyl)-beta-d-glucopyranosylamine
+CCCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O	9GQ	5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
+CCS(=O)(=O)c1ccc(cc1)CNC(=O)N2CC3(CCCC3)c4c2ccc(n4)c5c(ncnc5OC)C6CC6	9GS	5'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-n-{[4-(ethylsulfonyl)phenyl]methyl}spiro[cyclopentane-1,3'-pyrrolo[3,2-b]pyridine]-1'(2'h)-carboxamide
+C=CCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O	9GT	3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid
+c1cc(ccc1C(F)(F)F)N2CCN(CC2)C(=O)n3ccnn3	9GU	(1h-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
+CNS(=O)(=O)c1ccc(cc1)CNC(=O)c2cnc(c3c2cnn3c4ccc(cc4)F)OC	9GV	1-(4-fluorophenyl)-7-methoxy-n-{[4-(methylsulfamoyl)phenyl]methyl}-1h-pyrazolo[3,4-c]pyridine-4-carboxamide
+CCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O	9GW	3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid
+COc1ccccc1N2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3	9GX	2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3h)-one
+C[C@H]1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4	9GY	3-[(2s)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-n-methylbenzamide
+c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)c3ccc(cc3)F	9GZ	5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
+c1ccn(c1)c2c(cc(c(c2I)O)CO)I	9H2	6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol
+c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2	9H3	1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2h-spiro[1-benzofuran-3,4'-piperidin]-2-one
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6(CC6)C	9H4	tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CN1CCN(CC1)C(=O)c2cc(c(c(c2O)I)n3cccc3)I	9H5	[3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone
+CN1c2ccccc2C3(C1=O)CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4	9H6	1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1h)-one
+CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccccc5n4)c6cccs6)C(=O)NS(=O)(=O)C7CC7	9H7	tert-butyl [(2r,6s,12z,13as,14ar,16as)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+C1C[C@H](NC1)CNS(=O)(=O)C(F)(F)F	9H8	1,1,1-tris(fluoranyl)-~{n}-[[(2~{s})-pyrrolidin-2-yl]methyl]methanesulfonamide
+c1c(cc(c2c1N(CC23CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CCO)F)F	9H9	2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3h)-one
+COC(=O)CCC(=O)OC	9HB	dimethyl fumarate
+Cc1c(c(c(cn1)COP(=O)([O-])[O-])CCC(=O)c2ccc(cc2)Br)O	9HC	[4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate
+C1CC(=O)N(C1)CC[C@H](C[C@@H](C[C@@H](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O	9HD	1-[(3r,5s,7r)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2h-pyrrol-2-one
+c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N	9HE	1-cyclopentyl-3-(1~{h}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1cc2c(cc1n3c4ccc(cc4nn3)C(=O)O)C(CCC2(C)C)(C)C	9HF	1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid
+CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCC4)OC)OC	9HG	n~2~-cyclopentyl-6,7-dimethoxy-n~2~-methyl-n~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
+CS(=O)(=O)Nc1ccccc1c2cccc3c2[nH]c4c3cccc4	9HH	~{n}-[2-(9~{h}-carbazol-1-yl)phenyl]methanesulfonamide
+CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)S(=O)(=O)Nc4ccc(cc4)C(=O)N	9HI	(3r,5r)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1h-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid
+CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC	9HJ	6,7-dimethoxy-n~2~-methyl-n~4~-(1-methylpiperidin-4-yl)-n~2~-propylquinazoline-2,4-diamine
+c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-]	9HK	4-[(4-nitrophenyl)methyl]benzenesulfonamide
+c1cc(cc(c1)F)[C@@H]2C[C@H]2CNCCc3ccnc(n3)n4ccnc4	9HL	n-{[(1r,2r)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethanamine
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC	9HN	~{tert}-butyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate
+CCCCC\C=C/C=C/[C@H](CCCCCCCC(=O)O)O	9HO	(9s,10e,12z)-9-hydroxyoctadeca-10,12-dienoic acid
+c1cc2c(cc(cn2)c3ccc(cc3)O)c4c1ccnc4	9HP	9-(4-hydroxyphenyl)-2,7-phenanthroline
+CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C	9HQ	(2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-propanamide
+CCc1cc(c(cc1c2cc3cnc(nc3c(c2)N[C@@H](C)CO)NCCCCCN(C)C)F)O	9HR	4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{s})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol
+C[C@@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)Cl)O)c4ccccc4	9HS	7-chloro-3-({4-hydroxy-1-[(3s)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3h)-one
+CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)NCC	9HT	(2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-butanamide
+CC(=O)Oc1ccccc1S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O	9HU	2-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl]phenyl acetate
+C(CP(=O)(O)O)N1[C@@H]([C@H]([C@@H]([C@H]1CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CO	9HV	{2-[(2r,3r,4r,5r)-3-(alpha-d-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid
+CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C	9HW	(2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-propanamide
+c1c[nH]c2c1N=CNC2=O	9HX	9-deazahypoxanthine
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)C)C#N	9HY	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylacetamide
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC)c4ccc(cc4)Cl)OC	9HZ	methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate
+CCc1cc(c(cc1c2cc3cnc(nc3c(c2)N[C@@H](C)CO)N)F)O	9I2	4-[2-azanyl-8-[[(2~{s})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol
+COc1cc(cc2c1nc(nc2)N)c3ccc(cc3)O	9I5	4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol
+[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F	9I7	(1r,2s,5s)-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-(trifluoroacetyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
+Cn1cc(cn1)Nc2ncc3cc(cc(c3n2)OC)c4ccc(cc4)O	9I8	4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4cccc(c4)C(=O)O	9IB	3-[(5s,8r)-5-(dimethylcarbamoyl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid
+Cn1cc(cn1)Nc2c(nc(cn2)C3=CCC[C@H](C3)NC(=O)c4ccccc4)C(=O)N	9ID	6-[(5r)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1h-pyrazol-4-yl)amino]pyrazine-2-carboxamide
+C[C@H](c1cccc(c1)OC)NCCCc2ccccc2Cl	9IG	3-(2-chlorophenyl)-n-[(1r)-1-(3-methoxyphenyl)ethyl]propan-1-amine
+c1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3	9IK	~{n}-(4-phenoxyphenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+CC1(c2ccc(cc2N(C1=O)Cc3c(cccc3Cl)F)C(=O)NCc4c(cc(cc4F)F)F)C	9IM	1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-n-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1h-indole-6-carboxamide
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)c2ccoc2	9IN	n-(3-furoyl)-d-valyl-l-valyl-n~1~-((1r,2z)-4-ethoxy-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-d-leucinamide
+COc1ccc(cc1)Nc2c3cc[nH]c3ncn2	9IO	~{n}-(4-methoxyphenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+COc1cc(cnc1)c2cccc(c2)CNc3cccnc3N	9IP	n~3~-[3-(5-methoxypyridin-3-yl)benzyl]pyridine-2,3-diamine
+COc1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3	9IS	~{n}-[4-(4-methoxyphenoxy)phenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+c1ccc(c(c1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3)Cl	9IV	~{n}-[4-(2-chloranylphenoxy)phenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(cc3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	9IY	[(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate
+Cc1cc(ccc1n2c3c(c(ccn3)n4cc(nc4)c5cnn(c5)C)c(n2)C(C)C)C(=O)N	9J0	3-methyl-4-{4-[4-(1-methyl-1h-pyrazol-4-yl)-1h-imidazol-1-yl]-3-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridin-1-yl}benzamide
+CCC(=O)N(C)c1cc(c(c2c1ccc(c2)C#N)C)Oc3ccccc3OCCN4C=CC(=O)NC4=O	9J1	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylpropanamide
+Cc1nnc2n1-c3cc(ccc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC	9J2	methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate
+CCOC(=O)CCC(=O)O	9J3	4-ethoxy-4-oxobutanoic acid
+C[C@@]1(CC[C@H](C1(C)C)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)N	9J4	4-{[(1r,3s)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
+CC[C@H]([C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC	9J5	methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate
+CCOC(=O)CCCCC(=O)O	9J6	6-ethoxy-6-oxohexanoic acid
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3F)F)C	9J7	1-(2,3-difluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+CCNC(=O)[C@H](CC=C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C	9J8	(2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-pent-4-enamide
+B1(c2cc(ccc2CNN1S(=O)(=O)CC)Oc3ccc(cc3/C=N/O)C(F)(F)F)(O)O	9JA	(~{n}~{e})-~{n}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine
+C[C@H](COCC(CO)(COC[C@@H](C)O)COC[C@H](C)O)O	9JB	3-[(2~{r})-2-oxidanylpropoxy]-2-[[(2~{r})-2-oxidanylpropoxy]methyl]-2-[[(2~{s})-2-oxidanylpropoxy]methyl]propan-1-ol
+CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)C[C@@H](CN)O)O	9JD	methyl [(4s)-4-{(3r)-1-[(3s)-4-amino-3-hydroxybutanoyl]piperidin-3-yl}-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxybutyl]carbamate
+C(CCO)CCO	9JE	pentane-1,5-diol
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccccc4O	9JF	n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-2-hydroxybenzene-1-sulfonamide
+CCNC(=O)Nc1cc2c(ccc(c2cn1)CNC(=O)OCC#C)c3ccncc3	9JG	prop-2-ynyl ~{n}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate
+c1ccc(cc1)Cc2ccc(cc2)C(=O)N	9JH	4-benzylbenzamide
+B1(c2cc(ccc2CO1)Oc3ccc(cc3)C(F)(F)F)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O	9JJ	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{h}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1ccc(cc1)NC(=O)c2ccccc2S	9JK	~{n}-phenyl-2-sulfanyl-benzamide
+B1(c2ccc(cc2CO1)Oc3ccc(cc3/C=N/O)C#N)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O	9JM	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{e})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{h}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1ccc(cc1)[C@@H](CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4	9JN	~{n}-[(1~{s})-2-azanyl-1-phenyl-ethyl]-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
+CCC(=O)NC1CCC(CC1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)CN(C2=O)c6ccccc6Cl	9JO	n-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]cyclohexyl}propanamide
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CF)C#N	9JP	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-2-fluoro-n-methylacetamide
+CN(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O	9JQ	2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol
+CCCCOc1nc(c2c(n1)N(CC(=O)N2)Cc3cccc(c3)CN4CCCC4)N	9JR	4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
+Cc1ccc(cc1O)NC2=NSN=C(C2=O)Nc3ccc(cc3)C(=O)N	9JS	4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4h-1,2,6-thiadiazin-3-yl}amino)benzamide
+c1ccc(cc1)NC(=O)c2ccccc2[SeH]	9JT	~{n}-phenyl-2-selanyl-benzamide
+Cc1c(n(nc1C(=O)NC23CC4CC(C2)CC(C4)C3)CCCCCO)c5ccccc5	9JU	n-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1h-pyrazole-3-carboxamide
+C=C(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O	9JW	2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol
+c1ccc(c(c1)c2cccc(c2)N3C[C@@H](CC3=O)N4CCN(CC4)C(=O)c5nccs5)Cl	9JX	(4r)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
+CCS(=O)(=O)N1CCC[C@H](C1)C[C@@H](CO)Nc2c3ncc(n3ccn2)c4ccc(cc4)C	9JY	(2s)-3-[(3s)-1-(ethylsulfonyl)piperidin-3-yl]-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}propan-1-ol
+C[C@H]1CCN([C@@H]1C(=O)Nc2ccccc2c3ncccn3)C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC	9JZ	(3s)-1-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-3-methyl-n-(2-pyrimidin-2-ylphenyl)-l-prolinamide
+C[C@H](CCC(=O)C=C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	9K0	(6r)-6-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]hept-1-en-3-one
+Cc1ccc(cc1)c2cnc3n2ccnc3N[C@@H](Cc4cccnc4)CO	9K1	(2s)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol
+Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F	9K2	1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{h}-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine
+CCNCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N	9K3	1-{4-amino-2-[(ethylamino)methyl]-1h-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol
+CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CN1CCN(CC1)C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N	9K4	2-{4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-n-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide
+c1cc(cc(c1)S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	9K5	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate
+C[C@H]1CNCCCN1S(=O)(=O)c2cccc3c2ccnc3	9K6	5-[[(2~{s})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CCl)C#N	9K7	2-chloro-n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylacetamide
+CCc1ccc(cc1S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	9K8	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)NC(=NC2=O)N	9K9	2-amino-9-[(2s,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2h-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6h-purin-6-one
+c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)F	9KB	1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)NC(=O)C=C)C#N	9KD	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide
+c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)Cl	9KE	1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one
+CCOC(=O)[C@@H](C)c1cccc(c1)C(=O)c2ccccc2	9KF	ethyl (2s)-2-[3-(benzenecarbonyl)phenyl]propanoate
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)C=C)C#N	9KG	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylprop-2-enamide
+Cc1c(cc(nc1CC(=O)O)O)O	9KH	6-carboxy methyl-4-hydroxy-2-pyridinol
+C([C@@H]1[C@H]([C@@H]([C@H](N1CP(=O)(O)O)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	9KJ	{[(2r,3r,4r,5r)-3-(alpha-d-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid
+CCCC[C@@H](C(=O)O)NC	9KK	n-methyl norleucine
+C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O	9KL	(2s)-2-[3-(benzenecarbonyl)phenyl]propanoic acid
+Cc1ccc(cc1N2Cc3cnc(nc3N(C2=O)C)Nc4ccc(nc4)N5CCN(CC5)C(=O)C)NC(=O)c6cccc(c6)C(F)(F)F	9KO	n-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2h)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
+c1ccc(c(c1)/C=C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O)C(=O)O	9KP	(e)-n~6~-[(2e)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-l-lysine
+c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4	9KQ	2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline
+C/C=C/C(=O)CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	9KR	(e,7r)-7-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-2-en-4-one
+CC(=O)Nc1ccccc1O	9KS	n-(2-hydroxyphenyl)acetamide
+CN1c2ccccc2N(C(=O)C1=O)C	9KT	1,4-dimethylquinoxaline-2,3-dione
+c1ccc2c(c1)cccc2OCC(=O)N3CCC[C@H]3C4=NC(=C(C(=O)N4)O)C(=O)O	9KU	5-hydroxy-2-[(2s)-1-{[(naphthalen-1-yl)oxy]acetyl}pyrrolidin-2-yl]-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+c1ccc(cc1)c2ccc(s2)c3nc4ccccc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6	9KV	(2s)-n,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1h-benzimidazol-1-yl]acetamide
+CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCOCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5	9KW	~{n}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
+C/C=C/C=C/C(=O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	9KX	(2s)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-4,6-diene-3-one
+c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)CO	9KY	(2s)-n,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1h-benzimidazol-1-yl}acetamide
+CCOC(=O)c1c(c2ccccc2nc1C)C	9KZ	ethyl 2,4-dimethylquinoline-3-carboxylate
+C[C@H](CCC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C	9L1	5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid
+c1ccc(cc1)c2c[nH]c(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N	9L2	(2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{h}-imidazol-2-yl)oxane-3,4-diol
+Cc1c[n+](cnc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	9L3	[(2r,3s,5r)-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5Cl)C(=O)O)F)F)Cl	9L4	3-chloro-4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
+CCN1c2ccc(cc2N=C(C1=O)C)C(=O)N[C@@H](C)c3cnn(c3C)C	9L5	~{n}-[(1~{s})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide
+c1ccc(cc1)C(=O)c2ccc(cc2)c3nc4ccccc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6	9L7	(2s)-2-{2-[4-(benzenecarbonyl)phenyl]-1h-benzimidazol-1-yl}-n,2-dicyclohexylacetamide
+c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N	9L8	(2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{h}-1,2,4-triazol-5-yl)oxane-3,4-diol
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N	9L9	(2s)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1h-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid
+c1cc(ccc1c2nc3cc(c(cc3n2[C@H](COc4ccc(cc4)C(=O)O)C5CCCCC5)F)F)Cl	9LA	4-{(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid
+c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N	9LB	(2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(5-phenyl-4~{h}-1,2,4-triazol-3-yl)oxane-3,4-diol
+CCOC(=O)c1ccc(cc1)NC(=O)c2c3c(nn2c4ccccc4)CCN(C3)S(=O)(=O)c5cccs5	9LD	ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate
+c1ccc2cc(ccc2c1)c3c[nH]c(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N	9LE	(2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{h}-imidazol-2-yl)oxane-3,4-diol
+Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)OC)C)OC(=O)C)C)O)C)O)C)/C)OC(=O)CO)O	9LF	(2s,12e,14e,16s,17s,18r,19r,20r,21s,22r,23s,24e)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate
+c1ccc(cc1)CNC(=O)c2cc3c(n2Cc4ccccc4)CN(CC3)S(=O)(=O)c5ccccc5F	9LG	n,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide
+CC(C)CCCCCCCCC/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O	9LH	tunicamycin
+Cc1c(c2c([nH]1)cc(cc2Cl)Cl)CCN	9LI	2-(4,6-dichloro-2-methyl-1h-indol-3-yl)ethanamine
+c1ccc(c(c1)C#N)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F	9LJ	(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-n-(2-cyanophenyl)-2-cyclohexylacetamide
+Cc1c(oc(n1)C)C(=O)Nc2ccc(nc2)Oc3ccc(cc3)Cl	9LK	~{n}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
+c1ccc2c(c1)CN(C2=O)[C@H](c3cc(ccc3O)F)C(=O)Nc4nccs4	9LL	(2r)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)-n-(1,3-thiazol-2-yl)acetamide
+CC(C)NC(=O)n1c(cc2c1CN(CC2)S(=O)(=O)c3cccs3)c4ccccc4	9LM	2-phenyl-n-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-1h-pyrrolo[2,3-c]pyridine-1-carboxamide
+CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N(C)Cc3cnn(c3)c4ccccc4	9LN	1-ethyl-~{n}-methyl-2,3-bis(oxidanylidene)-~{n}-[(1-phenylpyrazol-4-yl)methyl]-4~{h}-quinoxaline-6-carboxamide
+c1cc(ccc1C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N	9LO	4-[[2,4-bis(azanyl)-6-oxidanylidene-1h-pyrimidin-5-yl]carbamoylamino]benzoic acid
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)OS(=O)(=O)O)F)F)Cl	9LP	trans-4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate
+B(c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)O	9LQ	[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid
+c1ccc(c(c1)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)F	9LS	(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-(2-fluorophenyl)acetamide
+CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N[C@H](c3cccc(c3)F)c4nccn4C	9LT	1-ethyl-~{n}-[(~{r})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{h}-quinoxaline-6-carboxamide
+Cc1cnc(n1Cc2ccccc2OCCCCCC(=O)O)c3ccc(cc3)c4ccco4	9LU	6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1h-imidazol-1-yl}methyl)phenoxy]hexanoic acid
+c1ccc(c(c1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br)Cl	9LV	4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2h)-yl}methyl)benzoic acid
+CCON=Cc1ccc(cc1)OCCC(C)CCN2C=CN(C2=O)c3ccncc3	9LW	1-[5-[4-(ethoxyiminomethyl)phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazol-2-one
+COc1ccc(cc1)CNc2c(nc3n2cc(cc3)F)c4ccccc4O	9LX	2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol
+c1cnn(c1)c2ccc(cn2)c3nc4cc(c(cc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6)F)F	9LY	(2s)-n,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1h-pyrazol-1-yl)pyridin-3-yl]-1h-benzimidazol-1-yl}acetamide
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)c4ccc(nc4)F	9LZ	(2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{s})-2-[[(2~{r})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid
+c1cc2c(c(c1)F)C(=O)c3c(c([nH]c3c4nccs4)Cc5ccc6c(c5)OCO6)O2	9M0	3-[(2h-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2h)-one
+CCOC(=O)[C@H]1CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F	9M1	ethyl (5s)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
+Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c([nH]n4)CN(C)C)F	9M2	1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{h}-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc(nc(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)N	9M3	n-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide
+CC(=O)Nc1cccc(c1)N([C@@H](C2CCCCC2)C(=O)NC3CCCCC3)C(=O)c4ccc(cc4)Cl	9M4	n-[3-(acetylamino)phenyl]-4-chloro-n-[(1s)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide
+c1ccnc(c1)[C@H]2C[C@H]2c3cc(ccc3C4CCCC4)c5ccc(cc5)S(=O)(=O)CCO	9M6	2-[4-[4-cyclopentyl-3-[(1~{r},2~{s})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+Cc1c(c(no1)c2ccc(cc2Cl)Cl)C(=O)N(C3CCCCC3)C4CCCCC4	9M7	n,n-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
+Cc1c(c(n(n1)C)C)CCOc2c(cccc2F)c3ccc4c(c3)c(nn4C)CN(C)C	9M8	1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN	9M9	7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine
+Cc1cccc(c1Nc2c(nc3n2c(ccc3)C)c4c(cccc4F)F)C	9MA	2-(2,6-difluorophenyl)-n-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
+c1cc(c(c(c1)O)F)c2cccc(n2)Oc3ccc(c(c3)O)F	9MB	2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol
+c1ccnc(c1)[C@@H]2C[C@@H]2c3cc(ccc3C4CCCC4)c5ccc(cc5)S(=O)(=O)CCO	9MC	2-[4-[4-cyclopentyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H]([C@@H]4CCCCO4)C(=O)NC5CCCCC5)Cl)F)Cl	9MD	(2s)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1h-benzimidazol-1-yl]-n-cyclohexyl-2-[(2s)-oxan-2-yl]acetamide
+c1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F	9ME	(4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone
+Cn1cnc2c1nc(nc2O)N	9MG	9-methylguanine
+c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)NC(=O)CN	9MH	2-azanyl-~{n}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide
+c1cc(oc1)c2nc(n(n2)C(=O)N)N	9MJ	5-amino-3-(furan-2-yl)-1h-1,2,4-triazole-1-carboxamide
+Cc1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F	9MK	(4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone
+CCCCCc1ccc(cc1[C@H]2C[C@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO	9ML	2-[4-[4-pentyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+c1cc(ccc1c2nc3cc(c(cc3n2[C@H](COc4ccc(cc4F)C(=O)O)C5CCCCC5)F)F)Cl	9MM	4-{(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid
+C(CCC(=O)NCCCC[C@@H](C(=O)O)N)CCBr	9MN	(2~{s})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid
+CO[C@H](c1ccccc1)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)F)F	9MP	(2s)-n,2-dicyclohexyl-2-{5,6-difluoro-2-[(r)-methoxy(phenyl)methyl]-1h-benzimidazol-1-yl}acetamide
+[H]/N=C(\N)/N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N(Cc2ccccc2)CC(=O)O)NS(=O)(=O)c3ccc4ccccc4c3	9MQ	{benzyl-[(s)-3-[((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-amino}-acetic acid
+C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	9MR	(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-d-glucopyranoside
+Cc1cc(ccc1OCc2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)F)Cl	9MS	(2s)-2-{2-[(4-chloro-2-methylphenoxy)methyl]-6-fluoro-1h-benzimidazol-1-yl}-n,2-dicyclohexylacetamide
+CCCCc1c(nc2ccc(cc2c1SCCC#N)OC)C	9MT	3-(3-butyl-6-methoxy-2-methyl-quinolin-4-yl)sulfanylpropanenitrile
+[H]/N=C(\N)/N1CCC[C@H](C1)CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c3ccc4ccccc4c3	9MU	(r)-n-((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-2-(naphthalene-2-sulfonylamino)-3-phenyl-propionamide
+c1cc(sc1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br	9MV	4-({5-bromo-2-oxo-1'-[(thiophen-2-yl)sulfonyl]spiro[indole-3,4'-piperidin]-1(2h)-yl}methyl)benzoic acid
+CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccncc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O	9MW	methyl [(2s)-1-(2-{(4r)-4-hydroxy-5-{[(2s)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
+[H]/N=C(/N)\N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N2CC[C@H](C[C@@H]2C(=O)O)C)NS(=O)(=O)c3ccc4ccccc4c3	9MX	(r)-1-[(s)-3-[((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid
+CO[C@H](c1ccccc1)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F	9MY	(2s)-2-cyclohexyl-2-{5,6-difluoro-2-[(r)-methoxy(phenyl)methyl]-1h-benzimidazol-1-yl}-n-(trans-4-hydroxycyclohexyl)acetamide
+c1ccc(c(c1)/C=N/NC2=NC(=O)[C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O	9MZ	2-{(5s)-2-[(2e)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-n-[3-(trifluoromethyl)phenyl]acetamide
+CC(C)(C)c1cc(cc(c1)[C@@H]2C[C@@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO	9N0	2-[4-[3-~{tert}-butyl-5-[(1~{r},2~{s})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+COc1ccc(c(c1)OC)c2nc3ccccc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5	9N1	(2s)-n,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1h-benzimidazol-1-yl]acetamide
+c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)C#N	9N2	2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile
+CC(C)(C)c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)CCO)CCc3ccccn3	9N3	2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol
+Cc1cccc(c1NC(=O)[C@H](C2CCCCC2)n3c4ccccc4nc3c5ccc(cc5OC)OC)C	9N4	(2s)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1h-benzimidazol-1-yl]-n-(2,6-dimethylphenyl)acetamide
+CC(C)(/C=N/OC)NC(=O)[C@H](OC)Oc1ccc2c(c1)cc(cn2)C#C	9N5	(2~{r})-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-~{n}-[(1~{e})-1-methoxyimino-2-methyl-propan-2-yl]ethanamide
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F)F)c6nccs6	9N7	4-{[(2s)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1h-benzimidazol-1-yl}acetyl]amino}benzoic acid
+c1cc(c(c(c1)Br)C(=O)c2cc([nH]c2)C(=O)Nc3cccnc3)F	9N8	4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{n}-pyridin-3-yl-1~{h}-pyrrole-2-carboxamide
+C/C=C/C#CC(=O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	9N9	(e,2s)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-6-en-4-yn-3-one
+COc1ccc(c(n1)OC)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F	9NA	(2s)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1h-benzimidazol-1-yl]-n-(trans-4-hydroxycyclohexyl)acetamide
+CC(=O)c1ccc(cc1)NC(=O)CS	9NB	~{n}-(4-ethanoylphenyl)-2-sulfanyl-ethanamide
+c1ccc(cc1)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F	9ND	(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-phenylacetamide
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O	9NE	dansyl-l-glutamate
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O	9NF	dansyl-l-phenylalanine
+CCN(CC[C@@H]1c2cc(ccc2N(C1=O)Cc3ccc(cc3)c4[nH]nnn4)Br)S(=O)(=O)c5cccs5	9NG	n-{2-[(3r)-5-bromo-2-oxo-1-{[4-(1h-tetrazol-5-yl)phenyl]methyl}-2,3-dihydro-1h-indol-3-yl]ethyl}-n-ethylthiophene-2-sulfonamide
+Cc1ccc(cc1NC(=O)c2cnc(nc2OC)Nc3ccc(cc3)N4CCNCC4)C(=O)Nc5cccc(c5F)C(F)(F)F	9NH	n-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide
+COc1ccc(c(n1)OC)c2nc3cc(ccc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)C(=O)O)F	9NJ	trans-4-({(2s)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1h-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid
+c1ccc(cc1)C[C@H](CS)C(=O)N2CCCC[C@@H]2C(=O)O	9NK	(2~{r})-1-[(2~{s})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid
+c1ccc(cc1)C([C@@H](C(=O)O)O)(F)F	9NL	(2r)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid
+c1cc(ccc1/C=C/C(=O)N(C2CCCCC2)C(=O)NC3CCCCC3)F	9NM	(2e)-n-cyclohexyl-n-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide
+c1ccc(cc1)C(C(C(=O)O)(O)O)(F)F	9NO	3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid
+c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)c6[nH]nnn6	9NP	(2s)-n,2-dicyclohexyl-2-{2-[4-(1h-tetrazol-5-yl)phenyl]-1h-benzimidazol-1-yl}acetamide
+CCC(=O)N1CC[C@@H](C1)Nc2c3c(ncn2)CCN(C3)c4cc(c(nc4)OC)C(F)(F)F	9NQ	leniolisib
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O	9NR	dansyl-l-arginine
+C=CCN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	9NS	(2s)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1cc2c(cc1NC(=O)C[NH+]3CCCCC3)OCO2	9NT	~{n}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide
+C[C@H]([C@@H](C(=O)N[C@H]1C[C@H](N(C1)C(=O)c2ccccc2)C(=O)NC)NC(=O)c3ccc(cc3)Cn4cccn4)OC(C)(C)C	9NU	(2s,4s)-n-methyl-4-[[(2s,3r)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide
+CCC[C@@H](C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C	9NV	dansyl-l-norvaline
+c1cc(c(cc1Cl)S(=O)(=O)NCc2c(n[nH]n2)CNC3CCCCC3)Cl	9NW	2,5-bis(chloranyl)-~{n}-[[5-[(cyclohexylamino)methyl]-2~{h}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide
+COc1cc(c(cc1O)Br)/C=N/n2c(nnc2SC)c3ccccc3	9NX	5-bromanyl-2-methoxy-4-[(e)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
+[C@@H](C(=O)O)(C(F)(F)F)O	9O0	(2r)-3,3,3-trifluoro-2-hydroxypropanoic acid
+C[C@H](c1ccc2ccccc2c1)NC(=O)c3c(noc3C(C)C)c4ccccc4Cl	9O1	3-(2-chlorophenyl)-n-[(1r)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide
+CCC(=O)Nc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N	9O2	~{n}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide
+C(=O)(C(C(F)(F)F)(O)O)O	9O3	3,3,3-trifluoro-2,2-dihydroxypropanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@H](CO3)OP(=O)(O)O)N	9O4	(3r,5r)-5-(6-amino-9h-purin-9-yl)oxolan-3-yl dihydrogen phosphate
+CC(=O)CCc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N	9O5	4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one
+c1ccc(cc1)[C@@H]([C@@H](C(=O)O)O)F	9O6	(2r,3s)-3-fluoro-2-hydroxy-3-phenylpropanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N	9O7	[(3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
+CC(=O)OCc1c(n[nH]n1)CNS(=O)(=O)c2ccccc2	9O8	[5-(phenylsulfonylaminomethyl)-2~{h}-1,2,3-triazol-4-yl]methyl ethanoate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	9O9	1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-5-o-phosphono-d-ribitol
+c1ccc(cc1)CNCc2c(nn[nH]2)CNS(=O)(=O)c3ccccc3	9OB	~{n}-[[5-[[(phenylmethyl)amino]methyl]-1~{h}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)Cc4ccccc4	9OC	1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+CC(=O)CCCCC\C=C/C(=O)O	9OD	(2z)-9-oxodec-2-enoic acid
+COc1cc(ccc1O)/C=C\2/C(=NC(=O)S2)N	9OE	(5~{z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one
+CC1(Cc2cc(ccc2-c3c1c(ncn3)N)OC)C	9OF	8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine
+Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N	9OG	4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile
+CCCCC[C@@H]1[C@H](O1)\C=C\[C@H](CCCCCCCC(=O)O)O	9OH	(trans-12,13-epoxy)-9-hydroxy-10(e)-octadecenoic acid
+Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C	9OJ	4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
+c1cc(c(cc1CCO[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O	9OK	2-(3,4-dihydroxyphenyl)ethyl beta-d-fructofuranoside
+CC1(Cc2cc(ccc2-c3c1c(ncn3)N)C(=C)C4CCNCC4)C	9OL	5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine
+Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N	9OM	7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
+C[C@@H](CCC(=O)O)C(=O)O	9ON	(2~{s})-2-methylpentanedioic acid
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)c4ccc(nc4)F	9OQ	(2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{r})-2-[[(2~{r})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid
+Cc1cc2c(cc1C)[N](=C3C(=[N]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(=O)O	9OR	3-[7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2s,3s,4r)-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1h-benzo[g]pteridin-5-yl]-3-oxidanylidene-propanoic acid
+COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N	9OS	7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)c4ccc(nc4)F	9OT	(2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{s})-2-[[(2~{s})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)c4ccccc4	9OU	1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-1-deoxy-5-o-phosphono-d-ribitol
+C([C@@H](C(=O)N)N)[SeH]	9OW	3-selanyl-l-alaninamide
+C[C@H](c1cccc2c1cccc2)N3CC4(C3)CC(C4)C(=O)NCc5ccnc(c5)OC	9OZ	n-[(2-methoxypyridin-4-yl)methyl]-2-[(1r)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4ccc(cc4)C(=O)O	9P0	4-[(5s,8r)-5-(dimethylcarbamoyl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid
+CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N	9P1	7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine
+CCCCn1c(c(nc1c2ccccc2)c3ccccc3)CN(Cc4ccc5c(c4)OCO5)Cc6ccc7c(c6)OCO7	9P2	1-(1,3-benzodioxol-5-yl)-~{n}-(1,3-benzodioxol-5-ylmethyl)-~{n}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine
+Cc1cc2c(cc1C)[N@@+]3([C@]4(O3)C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)C	9P3	1-[(1ar,11r)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2h)-yl]-1-deoxy-5-o-phosphono-d-ribitol
+c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F	9P4	7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
+CC(C)(C)n1c(c(cn1)c2nc(cs2)CC(=O)NCC3CCOCC3)c4ccc(cc4)OC	9P6	2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{n}-(oxan-4-ylmethyl)ethanamide
+Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N	9P7	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
+c1ccnc(c1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O	9P8	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)C[C@@](CF)(C(=O)O)O	9P9	1-{5-[(3s)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-1-deoxy-5-o-phosphono-d-ribitol
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCCN	9PA	5-[(2s)-2-{[(5-aminopentanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid
+c1ccc2cc(ccc2c1)COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O	9PB	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-(naphthalen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+c1cc(c(c(c1OCc2nc3cc(cnc3s2)Cl)F)C(=O)N)F	9PC	3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
+CCCCCCCCCCCCP(=O)(C)C	9PD	dodecyldimethylphosphine oxide
+CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P@@](=O)(O)OCCN	9PE	(1r)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)[C@H](CF)O	9PF	1-deoxy-1-{5-[(1s)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-5-o-phosphono-d-ribitol
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	9PG	4-nitrophenyl alpha-d-galactopyranoside
+c1ccc(cc1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O	9PH	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	9PI	bis[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
+c1cc(sc1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O	9PK	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+CC[C@H]1[C@H](COC1=O)Cc2cncn2C	9PL	(3s,4r)-3-ethyl-4-[(1-methyl-1h-imidazol-5-yl)methyl]dihydrofuran-2(3h)-one
+c1cc(cc2c1ccc(n2)N)CNCCc3ccc(c(c3)Cl)C#N	9PM	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile
+c1cc[n+](cc1)CCCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O	9PN	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+c1cc[n+](cc1)[O-]	9PO	pyridine-n-oxide
+C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-]	9PP	2,6-diamino-(s)-9-[2-(phosphonomethoxy)propyl]purine
+c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CO	9PQ	4-[2-(hydroxymethyl)naphthalen-1-yl]-n-[2-(morpholin-4-yl)ethyl]benzamide
+CNC(=O)[C@@H]1CCCN1	9PR	n-methyl-l-prolinamide
+c1ccc2c(c1)ccc[n+]2CCCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O	9PT	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+c1cc(ccc1COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)[N+](=O)O	9PW	[4-[[1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]-1,2,3-triazol-4-yl]methoxymethyl]phenyl]-oxidanyl-oxidanylidene-azanium
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)OOC(=O)OC)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	9PX	1-deoxy-1-[(4as)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+C[C@H]1C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O	9PY	(2r)-2-methyl-3-dehydroquinic acid
+Cc1cc2c(cc1C)[n+](c3c([n+]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)[C@](c4ccccc4)(C(=O)N)O	9Q0	1-{5-[(1s)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-o-phosphono-d-ribitol
+c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)OCC5=Cc6c(ccc(c6F)F)OC5=O)O)CO)O	9Q5	5,6-bis(fluoranyl)-3-[[(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	9Q6	1-deoxy-1-[(4as)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+C(#[O+])[Ru](C#[O+])(C#[O+])(O)(O)O	9Q8	tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium
+C[C@H](C(=O)N1CC[C@@H](C1)F)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2	9Q9	1-cyclopentyl-6-({(2r)-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1ccc(cc1)CCC(=O)N2CCC(CC2)(CN3C=Nc4cc(ccc4C3=O)Cl)O	9QA	7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3h)-one
+C(#[O+])[Ru](C#[O+])(C#[O+])([OH2+])([OH2+])Cl	9QB	chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium
+C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)NC(=O)CCN4CCN(CC4)C)O)c5ccccc5	9QD	n-[3-({4-hydroxy-1-[(3r)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)OO)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	9QF	[(2~{r},3~{s},4~{s})-5-[(4~{a}~{s})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+C[C@H](C(=O)O)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)OC)CO)O	9QG	methyl 3-o-[(1r)-1-carboxyethyl]-beta-d-galactopyranoside
+[H]/N=C/1\C[C@H](C[C@H]1Cc2c(cnc(c2O)C)COP(=O)(O)O)C(=O)O	9QJ	(1s,3s,4e)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid
+c1ccc2c(c1)c(cc(n2)c3cccc(c3)F)C(=O)O	9QK	2-(3-fluorophenyl)quinoline-4-carboxylic acid
+c1ccnc(c1)CN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)CO	9QN	(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
+CCc1c(c(nc(n1)N)N)c2cccc(c2)OCCCOc3c(nc(nc3N)N)CC	9QO	5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
+CC1=C2[C@H]([C@]([C@]3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H]7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1cc(cc2)O)CO)C)(C)CC(=O)N)CCC(=O)N	9QQ	 6-hydroxybenzimidazolyl-norcobamide
+CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3c(nc(nc3N)N)CC	9QR	5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
+c1ccc2c(c1)c(cc(n2)c3cc(cc(c3)Cl)F)C(=O)O	9QT	2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid
+c1ccc2c(c1)cc([nH]2)CNCC(=O)NC3CCC(CC3)c4[nH]c5ccccc5n4	9QU	n-[(1s,4s)-4-(1h-benzimidazol-2-yl)cyclohexyl]-n~2~-[(1h-indol-2-yl)methyl]glycinamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OP(=O)(O)O	9QV	uridine 2',5'-bis(dihydrogen phosphate)
+CC(C)n1c2c(nc1c3cnc(nc3OC)OC)C(=O)N([C@H]2c4ccc(cc4)Cl)C5=CC(=CN(C5=O)C)Cl	9QW	(4~{s})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one
+COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O	9QY	methyl 2-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate
+C([C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	9QZ	[(2~{r},3~{s},4~{r},5~{r},6~{r})-2-[[(2~{s},3~{s},4~{r},5~{s},6~{r})-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methoxy  ]-6-(hydroxymethyl)-3,5-disulfooxy-oxan-4-yl] hydrogen sulfate
+c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4CC5(C4)CCN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl	9R0	2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid
+C(CC[C@@H](C(=O)O)N)CCC(=O)O	9R1	(2s)-2-aminooctanedioic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O	9R2	[(2~{r},3~{s},4~{s},5~{s},6~{s})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hexadecanoate
+c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4[C@@H]5CCC[C@H]4CN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl	9R3	2-[(1r,5s)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid
+CC(C)(C(=O)O)NC(=O)CC[C@H](C(=O)O)N	9R4	d-gamma-glutamyl-2-methyl-l-alanine
+c1cc2c(cc1Cl)OC[C@H](O2)CN	9R5	[(2~{r})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine
+C(CC(=O)NCC(=O)O)[C@@H](C(=O)O)N	9R7	l-gamma-glutamylglycine
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc(cc4)N5CCOCC5	9R8	6-hydroxy-3-(3-methyl-benzyl)-1h-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide
+c1c(cc2c(c1C3(CCCCC3)O)cn[nH]2)Cl	9R9	1-(6-chloro-1h-indazol-4-yl)cyclohexan-1-ol
+Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C	9RA	4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid
+Cc1c(c(n(n1)C)C)/N=N/c2ccc(cc2)/C=C/C(=O)NO	9RB	(2e)-n-hydroxy-3-{4-[(e)-(1,3,5-trimethyl-1h-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)Oc3ccc(cc3)[N+](=O)[O-])O	9RC	5'-o-[(s)-hydroxy(4-nitrophenoxy)phosphoryl]thymidine
+C1CCC2=C(C1)[NH2+][Pt+2][NH2+]2	9RD	(cyclohex-1-ene-1,2-diamine)platinum(2+)
+Cc1cc(ccc1OCC(=O)O)SCc2nnc(s2)c3ccc(cc3)C(F)(F)F	9RF	{2-methyl-4-[({5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}methyl)sulfanyl]phenoxy}acetic acid
+c1ccc(cc1)C(C(F)(F)F)(O)O	9RH	2,2,2-trifluoromethyl acetophenone hydrate
+CN(CCCC[C@@H](C(=O)O)N)[C@H]1C[C@@H]2CC[C@H]1C2	9RI	(2s)-2-amino-6-{[(1s,2s,4r)-bicyclo[2.2.1]heptan-2-yl](methyl)amino}hexanal
+c1ccc2c(c1)OC[C@H](O2)CNC(=O)c3ccco3	9RK	~{n}-[[(3~{r})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]furan-2-carboxamide
+C[C@@](c1ccccc1)([C@H](Cc2ccc(cc2)Cl)n3cncn3)O	9RL	(2r,3s)-4-(4-chlorophenyl)-2-phenyl-3-(1h-1,2,4-triazol-1-yl)butan-2-ol
+CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F	9RM	6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4h)-one
+C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)O)O	9RN	3,6-anhydro-d-galactose
+C[C@H](CCC[C@H](c1ccc(cc1)O)OC)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	9RO	(1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{r})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+c1ccc(cc1)n2c(c(cn2)c3cc4cnccc4[nH]3)O	9RP	1-phenyl-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-5-ol
+C[C@@H](c1ccccc1)P(=O)(O)Oc2ccc3c(c2)OC(=O)C=C3CS(=O)(=O)O	9RQ	[2-oxidanylidene-7-[oxidanyl-[(1~{s})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid
+CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3ccc(cc3)c4c(nc(nc4N)N)CC	9RR	5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine)
+Cc1c(c(n(n1)c2cccc(c2)CNC(=O)Nc3ccccc3)O)c4cc5cnccc5[nH]4	9RS	n-({3-[5-hydroxy-3-methyl-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea
+c1ccnc(c1)CNS(=O)(=O)c2ccc(cc2)CN	9RT	4-(aminomethyl)-~{n}-(pyridin-2-ylmethyl)benzenesulfonamide
+Cc1cc(c(c(c1)C)N2CC[N+](=C2[Ru](Cl)Cl)c3c(cc(cc3C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C)C	9RU	[1-[4-[[5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium
+CCCCC(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O	9RV	n-({3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-1-yl]phenyl}methyl)pentanamide
+C[C@@H](c1ccccc1)C(=O)O	9RW	(2~{s})-2-phenylpropanoic acid
+c1ccc(c(c1)c2[nH]nc(n2)SCC(=O)Nc3[nH]c4ccccc4n3)C(=O)O	9RX	2-[3-[2-(1h-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1h-1,2,4-triazol-5-yl]benzoic acid
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cncnc5[nH]4)O	9RY	n-({3-[5-hydroxy-4-(7h-pyrrolo[2,3-d]pyrimidin-6-yl)-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea
+CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)[nH]nc4C(=O)N5CCC[C@@H](C5)OC	9RZ	3-[(3~{s})-3-methoxypiperidin-1-yl]carbonyl-~{n}-methyl-~{n}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{h}-indazole-5-carboxamide
+CCCc1c2c([nH]n1)OC(=C([C@@H]2c3cc(c(c(c3)OC)O)N(=O)=O)C#N)N	9S0	(4r)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5c([nH]4)ccc(n5)N)O	9S1	n-({3-[4-(5-amino-1h-pyrrolo[3,2-b]pyridin-2-yl)-5-hydroxy-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CN4CCCCC4)Nc5ccccc5	9S3	1-[(2s,4r)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2h)-yl]ethanone
+CC(=O)N[C@H]1[C@@H]([O+]=C([C@@H]([C@@H]1O)F)C(=O)O)C[C@@H](CO)O	9S4	(2~{s},3~{r},4~{r},5~{r})-3-acetamido-2-[(2~{s})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
+C[C@@H](c1cnccn1)Nc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4	9S5	(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1s)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone
+CC(C)N1CCN(CC1)c2ccc(cc2)/C(=C(/CCCO)\c3ccccc3)/c4cccc(c4)O	9S6	3-[(~{e})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
+CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H](CCO)O)C(=O)O)F)O	9S7	5-acetamido-2,6-anhydro-3,5,8-trideoxy-3-fluoro-d-threo-l-galacto-nononic acid
+S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2	9S8	non-cubane [4fe-4s]-cluster
+C(CBr)S(=O)(=O)O	9SB	2-bromanylethanesulfonic acid
+c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4	9SC	7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1h-quinolin-2-one
+CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H](CCO)O)C(=O)O)F)O	9SD	(2~{r},3~{r},4~{r},5~{r})-3-acetamido-2-[(1~{r})-1,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
+C[C@]1(N[C@@H](C[Se]1)C(=O)O)C(=O)O	9SE	(2~{r},4~{r})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid
+c1ccc2c(c1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@H](CCCN3)O	9SF	3-{3-[(2r,3s)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3h)-one
+CC(=O)N[C@@H]1C[C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F	9SG	(2r,3r,5r,6r)-5-acetamido-2,3-bis(fluoranyl)-6-[(1r,2r)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+c1cc(ccc1CN)C[n+]2cnc3c(c2N)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	9SI	[(2r,3s,4r,5r)-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC(=O)N[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)F)C(=O)O)C[C@@H](CO)O	9SJ	5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-d-threo-l-galacto-nononic acid
+c1cc(c(c2c1OC(=O)C(=C2)CO[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F)O)CO)O)F)F	9SK	5,6-bis(fluoranyl)-3-[[(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one
+C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)N=C(N3)N)COC(=O)N)N	9SL	[(3as,4r,10as)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3h,8h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
+CC(=O)N[C@H]1[C@@H](O[C@]([C@@H]([C@@H]1O)F)(C(=O)O)F)C[C@@H](CO)O	9SM	(2r,3r,4r,5r,6s)-5-acetamido-6-[(2s)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
+c1cc(c(c(c1)F)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	9SN	6-fluoroanthraniloyl-amp
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H](CCO)O)(C(=O)O)F)F)O	9SP	(2r,3r,4r,5r,6r)-5-acetamido-6-[(1r)-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
+C1NC[Se]2[Fe]3([Se]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	9SQ	dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethaneselenato- 1kappas:2kappas)-mu-(oxomethylidene)diiron(2+)
+C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O	9SR	(1r,5r,6r,7r,9s,11s,12s,13s,14s)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name)
+c1c(cnc(n1)NC2(CC2)c3cncnc3)C(=O)N4CCC[C@H](C4)C#N	9SS	(3r)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile
+CN1C[C@H](C[C@H](C1)NC2=C(C(=O)N(N=C2)C)Br)c3ccccc3	9ST	4-bromo-2-methyl-5-[[(3~{r},5~{r})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one
+c1cc2c(c(c1)Cl)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CN2	9SU	2-(4-chloro-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3h)-one
+CN1CCN(CC1)C2=C(C(=O)c3ccccc3C2=O)Sc4ccccc4	9SV	2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione
+CCCCCCCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC	9SW	methoxy-[(3~{r})-3-[(2~{r})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
+c1ccc(cc1)C[n+]2cnc3c(c2N)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	9SY	[(2r,3s,4r,5r)-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O	9SZ	c42 h32 o8 p2
+c1cc(ccc1CP(=O)(O)O[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](COC(=O)CCCC(=O)O)NC(=O)C(Cl)Cl)NC(=O)C(F)(F)F	9T0	5-[(2r,3r)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-[oxidanyl-[[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]methyl]phosphoryl]oxy-propoxy]-5-oxidanylidene-pentanoic acid
+C[C@H]([C@H]([C@H]1[C@@H](C(=O)[C@H]([C@H](O1)C(=O)O)F)NC(=O)C)O)O	9T1	5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-d-erythro-l-gluco-non-4-ulosonic acid
+CCOC(=O)NC(=O)c1cc(sc1NC(=O)c2nc3ccccc3s2)F	9T2	ethyl ~{n}-[2-(1,3-benzothiazol-2-ylcarbonylamino)-5-fluoranyl-thiophen-3-yl]carbonylcarbamate
+c1c[nH]c2c1c(c(cn2)C(=O)N)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O	9T6	4-[[(1s,3r)-5-oxidanyl-2-adamantyl]amino]-1h-pyrrolo[2,3-b]pyridine-5-carboxamide
+C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)NC(=O)C)O)O	9T7	(2r,3r,4r,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
+C[NH+](C)CCCNC(=O)CC[NH3+]	9T8	3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium
+CN1CCN(CC1)CCNc2cc3c(c(c2)F)C(=O)c4c(c([nH]c4c5nccs5)Cc6ccc7c(c6)OCO7)O3	9T9	3-[(2h-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2h)-one
+c1ccc2c(c1)C(=O)c3ccccc3C2=O	9TA	1,4-bis-[2-(2-hydroxy-ethylamino)-ethylamino]-anthraquinone
+c1cc(ccc1CNC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F	9TB	(2~{s})-2-[[(2~{s})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+c1cnc(cn1)CNc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4	9TC	(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@@H]2c3ccccc3NC2=O)C(=O)O)O	9TD	1-carboxy-1-{[(e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]azaniumyl}-2-[(3r)-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-ide
+COc1cccc(c1)Oc2ccc3c(c2)S(=O)(=O)NCN3C4CC4	9TE	4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O	9TF	purpurin
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O	9TG	3-[(2r)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid
+C[C-]12C3(=C4([Ir+3]1356(C2(=C54C)C)([N-](CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)[Cl-])C)C	9TH	pentamethylcyclopentadienyl iridium [n-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride
+Cc1c(n2ccccc2n1)c3ccn[nH]3	9TI	2-methyl-3-(1~{h}-pyrazol-5-yl)imidazo[1,2-a]pyridine
+B([C@H](Cn1cc(nn1)c2cccc(c2)C(=O)O)NC(=O)Cc3cccs3)(O)O	9TJ	3-{1-[(2r)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1h-1,2,3-triazol-4-yl}benzoic acid
+Cn1ccnc1C(=O)O	9TK	1-methylimidazole-2-carboxylic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC	9TL	2-azaniumylethyl (2r)-2,3-bis{[(9z)-octadec-9-enoyl]oxy}propyl phosphate
+C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H](C(=[O+]1)C(=O)O)F)O)NC(=O)C)O)O	9TM	(2~{r},3~{r},4~{r},5~{r})-3-acetamido-2-[(1~{r},2~{r})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
+CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C/C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)O)([C@](C(=O)O3)(C)O)O	9TN	debutanoyl thapsigargin
+COc1ccc(cc1)Nc2nccc(n2)c3c[nH]nc3c4cccnc4	9TO	n-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1h-pyrazol-4-yl]pyrimidin-2-amine
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)c8cccs8)O)O)OCO4	9TP	(5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-o-(thiophen-2-ylmethylidene)-beta-d-glucopyranoside
+c1cc(c(cc1NC(=S)NCCO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)O)C3c4ccc(cc4OC5=C3C=CC(=O)C5)O	9TQ	5-[2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid
+c1cc(cc(c1)N=[N+]=[N-])COC(=O)NCCCC[C@@H](C(=O)O)N	9TR	n6-{[(3-azidophenyl)methoxy]carbonyl}-l-lysine
+CC/C=C/C(=O)O	9TS	(2e)-pent-2-enoic acid
+Cn1ccc2c1ccc(c2)N	9TT	1-methylindol-5-amine
+c1cc(cc(c1)C2(N=N2)C(F)(F)F)COC(=O)NCCCC[C@@H](C(=O)O)N	9TU	n6-[({3-[3-(trifluoromethyl)-3h-diaziren-3-yl]phenyl}methoxy)carbonyl]-l-lysine
+c1cnc(nc1)CCC(=O)Nc2cc(n[nH]2)c3ccc4c(c3)CCCC4	9TV	3-(pyrimidin-2-yl)-n-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1h-pyrazol-5-yl]propanamide
+c1cc(c(cc1C(=O)N)Cl)F	9TW	3-chloranyl-4-fluoranyl-benzamide
+C#Cc1cccc(c1)COC(=O)NCCCC[C@@H](C(=O)O)N	9TX	n6-{[(3-ethynylphenyl)methoxy]carbonyl}-l-lysine
+C1CC1(C(=O)O)C(=O)O	9TY	cyclopropane-1,1-dicarboxylic acid
+Cc1ccc(cc1C(=O)O)F	9TZ	5-fluoranyl-2-methyl-benzoic acid
+C1CCC=CC(CC1)OC(=O)NCCCC[C@@H](C(=O)O)N	9U0	n6-({[(1s,2e)-cyclooct-2-en-1-yl]oxy}carbonyl)-l-lysine
+CC(C)c1c(ncs1)C=O	9U2	5-propan-2-yl-1,3-thiazole-4-carbaldehyde
+CN(C)CCN(C)C	9U3	n,n,n',n'-tetramethylethane-1,2-diamine
+CNC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1	9U4	3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-n-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide
+CC(C)N1C=CC(c2c1ccc(c2)C#Cc3ccc(cc3)C(=O)O)(C)C	9U5	4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid
+c1ccc(cc1)COC(=O)NCC[Se]C[C@@H](C(=O)O)N	9U6	3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-l-alanine
+CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)N4CCCc5c4ccc(c5)c6cnn(c6)C)C1	9U7	1-{3-[6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-[(3s)-oxolan-3-yl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)c4ccccn4	9U8	ethyl 1-[[(2~{s})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{s})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate
+C1C[C@@H]2[C@@H](C2COC(=O)NCCCC[C@@H](C(=O)O)N)CCC#C1	9U9	n6-({[(1r,8s,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-l-lysine
+CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1	9UA	1-{3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-[(3s)-oxolan-3-yl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)/C)/C)/C)C	9UB	[(2~{s},3~{r},4~{r},5~{s},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{z},6~{z},10~{z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid
+c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)[N+](=O)[O-]	9UC	n6-{[(4-nitrophenyl)methoxy]carbonyl}-l-lysine
+CC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1	9UD	1-{3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+C[C@@H]\1C[C@@H](OC(=O)C[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H](C/C(=C1)/C)C)C)C)Cc2c3ccccc3[nH]c2Br)c4ccc(cc4)O)C	9UE	jasplakinolide
+c1cc(ncc1COC(=O)NCCCC[C@@H](C(=O)O)N)N	9UF	n6-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-l-lysine
+Cc1ccc2c(c1)O[C@@H](CN2C(=O)NC)C	9UG	(2r)-n,2,7-trimethyl-2,3-dihydro-4h-1,4-benzoxazine-4-carboxamide
+[B]1B234B5B6[Co]17891%10%11(B2[C@]72C866B55B33B65B432)B2B345B9C11(B33B446B522B%105B242C%1151B623)CNS(=O)(=O)N	9UK	cobaltcarborane
+CN\1CCC/C1=C\2/C=Nc3c2cccc3	9UL	(3~{z})-3-(1-methylpyrrolidin-2-ylidene)indole
+CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C	9UM	3-(bromomethyl)-2,5,6-trimethyl-1h,7h-pyrazolo[1,2-a]pyrazole-1,7-dione
+CN1CCC(CC1)NC(=O)c2cc(on2)c3c(cc(cc3Oc4ccc(cc4)[N+](=O)[O-])O)O	9UN	5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-n-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
+C[C@H](C(F)(F)F)Nc1nc(nc(n1)N[C@H](C)C(F)(F)F)c2cccc(n2)Cl	9UO	6-(6-chloropyridin-2-yl)-n2,n4-bis[(2r)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
+[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)OC)/N	9UP	methyl (7-carbamimidoylnaphthalen-1-yl)carbamate
+CC[C@@]1(CCC(=O)NC1=O)c2ccc(cc2)N	9UQ	(3~{r})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione
+C1=SC(=O)NC1=O	9UT	1,3-thiazole-2,4-dione
+c1cc(c(cc1OCCN2CCOCC2)OCCN3C=CC(=O)NC3=O)Oc4cc(cc(c4)Cl)/C=C/C#N	9UV	(2e)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+C1=NC(=S)NC1=O	9UW	2-sulfanylideneimidazol-4-one
+O=[MoH2]1S[MoH2](=O)S1	9UX	dioxo(di-mu-sulfide)dimolybdenum
+Cc1c(c([nH]c1CC2=NC(=O)[C@@H]([C@H]2C=C)C)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O	9UY	3-[5-[[(3~{r},4~{r})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+C1CC(=O)NC(=O)C1	9UZ	piperidine-2,6-dione
+c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)N=[N+]=[N-]	9V0	(2s)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid
+CC[C@@H]1[C@H](C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C	9V1	3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl] methyl]-5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]pro panoic acid
+CC[C@]1(CC(=O)NC1=O)C	9V2	(3~{s})-3-ethyl-3-methyl-pyrrolidine-2,5-dione
+Cc1cccc(n1)[C@H]2c3ccsc3CCN2C(=O)CNCC(C)C	9V3	2-(2-methylpropylamino)-1-[(4r)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl]ethanone
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2[N+](=O)[O-])Cl	9V5	4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene
+c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Cl	9V6	(2s)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid
+c1ccc(cc1)NC(=O)O	9V7	phenylcarbamic acid
+c1cc2c(cc1C(=O)NCC3[C@H]4[C@@H]3CN(C4)C(=O)OCc5cc(cc(c5)C(F)(F)F)C(F)(F)F)nn[nH]2	9V8	[3,5-bis(trifluoromethyl)phenyl]methyl (1~{s},5~{r})-6-[(1~{h}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
+CC1=CN(C(=S)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O	9V9	1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1h)-one
+C1=N[C@H](C(=O)N[C@H]1CCC(=O)N)CO	9VA	3-[(2s,5s)-5-(hydroxymethyl)-6-oxo-1,2,5,6-tetrahydropyrazin-2-yl]propanamide
+c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N	9VC	(2s)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid
+CC([C@@H](C=O)N)O	9VD	(2s,3s)-2-amino-3-hydroxybutanal
+CN(C)C(=O)c1cccc(c1)S(=O)(=O)N2CCC[C@H]2C(=O)O[C@@H](Cc3c(c[n+](cc3Cl)O)Cl)c4ccc(c(c4)OCC5CC5)OC(F)F	9VE	[(1~{s})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{s})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate
+C[Si](C)(C)COC(=O)NCCCC[C@@H](C(=O)O)N	9VF	(2s)-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid
+C/C(=C\C(=O)OC)/[C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6ccccc6C5=O)O)O	9VG	methyl (2e)-3-[(1as,11s,11as,14z,18r)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11ah-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate
+C1[C@@H]([C@H]([C@@H](CN1)O)O)CS(=O)(=O)O	9VH	[(3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid
+Cc1c(c(c(s1)c2ccccn2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C	9VK	(2~{s})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Br	9VL	(2s)-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid
+Cc1c(c(c(s1)c2ccncc2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C	9VN	(2~{s})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+c1ccc(cc1)CNc2ccccn2	9VO	n-(phenylmethyl)pyridin-2-amine
+CC(=O)N[C@@H]1C[C@H]([C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)F	9VP	5-acetamido-2,6-anhydro-3,4,5-trideoxy-3-fluoro-d-erythro-l-gluco-nononic acid
+c1cnn(c1)Cc2ccc(cc2)CO	9VQ	[4-(pyrazol-1-ylmethyl)phenyl]methanol
+c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)C2(N=N2)C(F)(F)F	9VR	(2s)-2-azanyl-6-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid
+CN1CCN(CC1)Cc2ccc(cc2)c3cnc(nc3NC4CCC(CC4)O)Nc5ccc(cc5)C#Cc6cc(ccn6)C7OCCO7	9VS	cis-4-[(2-[(4-{[4-(1,3-dioxolan-2-yl)pyridin-2-yl]ethynyl}phenyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}pyrimidin-4-yl)amino]cyclohexan-1-ol
+CCNc1nnc(s1)Cn2c(cc(n2)C)C	9VT	5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{n}-ethyl-1,3,4-thiadiazol-2-amine
+Cc1ccc2c(c1Br)[C@](C(=O)N2)(CC(=O)c3ccc4c(c3)OCO4)O	9VU	(3s)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1h-indol-2-one
+c1cc(cnc1)CNC(=O)NC2CCCCC2	9VW	1-cyclohexyl-3-(pyridin-3-ylmethyl)urea
+CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(C)S(=O)(=O)C)c4ccc5c(n4)-c6cc7c(n6CO5)cccc7F	9VY	2-(4-fluorophenyl)-5-(11-fluoro-6h-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-n-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
+CCOC(=O)[C@@H]1CCc2c(sc(n2)C)C1	9VZ	ethyl (6~{r})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
+Cc1cc(cc(n1)[C@@H]2CCN(C2)C(=O)c3c(non3)N)Nc4cccc(c4)OC	9W1	(4-amino-1,2,5-oxadiazol-3-yl)[(3r)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone
+CC(=O)NC1CCN(CC1)c2ncccn2	9W2	~{n}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide
+Cc1cc(cc(c1Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C)/C=C/C#N	9W3	4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile
+c1cc(ccc1CN2C(=O)C=NC2=O)C(=O)Nc3ccc4c(c3)sc(n4)N5CCOCC5	9W4	4-[(2,5-dioxo-2,5-dihydro-1h-imidazol-1-yl)methyl]-n-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide
+Cc1cc(n(n1)Cc2ccccc2)N	9W5	5-methyl-2-(phenylmethyl)pyrazol-3-amine
+CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3cnccc3s2	9W6	ethyl {2-[([1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl}carbamate
+CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O	9W7	2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol
+CC1=CC(=O)C(=C(N1)C)C2CCN(CC2)c3ncccn3	9W8	2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{h}-pyridin-4-one
+Cn1cncc1[C@@](c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6ccc(nc6)C(F)(F)F)O	9WA	(r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
+CC1=CC(=O)C(=C(N1)C)c2ccccc2	9WB	2,6-dimethyl-3-phenyl-1~{h}-pyridin-4-one
+CC(=O)N1CCC(CC1)[C@@](c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6cncn6C)O	9WD	1-{4-[(r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one
+c1cc(cnc1)CNC(=O)NC2CCN(CC2)c3ncccn3	9WE	1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
+Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C	9WG	4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]-6-methyl-6,7-dihydro-5h-pyrrolo[3,4-b]pyridin-5-one
+Cc1cc(n(n1)Cc2nnc(s2)Nc3ccn(n3)Cc4c(cccc4Cl)F)N	9WH	5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{n}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine
+Cc1cc2cc(cn2c(c1Nc3ccnc(n3)Nc4ccc(cc4)C#N)C)C#N	9WI	(4r)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)NC(=O)C	9WJ	4-acetamido-4,6-dideoxy-beta-d-mannopyranose
+Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)N	9WK	4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{n}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide
+CC(=O)N[C@@H]1C[C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)F	9WM	(2~{r},3~{r},5~{r})-3-acetamido-5-fluoranyl-2-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O	9WN	(2r)-2-(alpha-d-glucopyranosyloxy)-3-hydroxypropanoic acid
+c1ccc2c(c1)cc([nH]2)C(=O)N[C@H]3CCCN(C3)c4cc(n[nH]4)c5ccncc5	9WO	n-{(3s)-1-[3-(pyridin-4-yl)-1h-pyrazol-5-yl]piperidin-3-yl}-1h-indole-2-carboxamide
+Cc1c(c2c(o1)ccc(c2CN3CCCCCC3)O)C(=O)Nc4ccc(cc4)C(F)(F)F	9WP	4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-n-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide
+Cc1ccc(cc1O)c2cccc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC	9WR	[6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
+c1ccc(c(c1)NC(=O)c2cnn3c2cccc3)Cl	9WS	n-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
+C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)O	9WT	cefepime
+C(CN)C(=O)N[C@@H](CN)C(=O)O	9WV	beta-alanyl-3-amino-l-alanine
+CCOC(=O)Cn1cc(nc1)S(=O)(=O)n2ccc3c2nc(cn3)CCc4cc(cc(c4)OC)OC	9WX	ethyl [4-({3-[2-(3,5-dimethoxyphenyl)ethyl]-5h-pyrrolo[2,3-b]pyrazin-5-yl}sulfonyl)-1h-imidazol-1-yl]acetate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC([C@@H]([C@@H](CO)O)OP(=O)(O)O)O	9WY	1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-3-o-phosphono-d-ribitol
+c1cc(c(cc1CCO)O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO	9WZ	2-hydroxy-4-(2-hydroxyethyl)phenyl beta-d-fructofuranoside
+c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3	9X0	n-(cyclohexylmethyl)-4-oxo-4h-1-benzopyran-2-carboxamide
+CN(c1ccc(cc1)Cl)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c5ccc(cc5)C[n+]6ccc(c7c6cccc7)N(C)c8ccc(cc8)Cl	9X1	1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}
+c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCC(CC4)CNC(=O)[C@@H]5CCCN5	9X2	~{n}-(2,3-dihydro-1~{h}-inden-2-yl)-3-[[4-[[[(2~{s})-pyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide
+CNCc1cccc(c1)CN2CCOCC2	9X3	n-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine
+Cc1cnc(o1)C(C)(C)C#Cc2ccc3c(c2)-c4nc(c(n4C5CC3C5)C(=O)NC)C(=O)N	9X4	(5s,7s)-n~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5h-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide
+CC1=NCc2ccccc2-c3c1cccc3	9X5	5-methyl-7~{h}-benzo[d][2]benzazepine
+C(C(=O)O)SCC(=O)O	9X6	thiodiglycolic acid
+CCOC(=O)C(=O)C	9X7	ethyl 2-oxopropanoate
+CC(=S)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	9X8	 thioacetyl-adp-ribose
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N)N	9X9	3,5-bis(azanyl)-n-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide
+CC(C)(C)S(=O)(=O)c1cn2c(cc1OCCN3CCN(CC3)C)ncc2c4cc(nc(c4)Cl)N	9XA	4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine
+CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C(=O)O[C@H]([C@@H]([C@@H]3CC[C@@H](O3)[C@H](C(=O)O1)C)C)[C@H](C)[C@H]4CC[C@H](O4)C[C@@H](CCC)N(C)C)C	9XB	pamamycin 607
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2OC)OC)N)N	9XC	3,5-bis(azanyl)-n-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide
+CC1=C(Nc2cc(ccc2C1=O)OC)c3cc(cnc3)c4ccc(cc4)OC(F)(F)F	9XE	7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]-1~{h}-quinolin-4-one
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N)N	9XF	3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-n-carbamimidoyl-pyrazine-2-carboxamide
+Cc1cccc(c1)Nc2ccccc2	9XG	3-methyl-n-phenylaniline
+c1ccc2c(c1)CN(C2)C(=O)[C@H](CC(=O)N3CCN(CC3)C(c4ccc(cc4)F)c5ccc(cc5)F)N	9XH	(2~{s})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione
+c1cc(cc(c1)Cl)Oc2c3c(ncnc3n(n2)CC4CCNCC4)N	9XJ	3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1ccc2c(c1)sc(n2)NC(=O)CSC3=NC4=C(C(=O)N3c5ccccc5)SCC4	9XK	~{n}-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide
+c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCN(CC4)S(=O)(=O)NC(=O)O[C@H]5CCCN[C@@H]5CC(=O)CN6C=Nc7cc(c(cc7C6=O)Cl)Br	9XM	[(2~{r},3~{s})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidin-3-yl] ~{n}-[4-[[3-(2,3-dihydro-1~{h}-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperazin-1-yl]sulfonylcarbamate
+NP(=S)(O)O	9XN	phosphoramidothioic o,o-acid
+CC(C)(C)n1c2c(c(ncn2)N)c(n1)Nc3cccc(c3)Cl	9XP	1-tert-butyl-n~3~-(3-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine
+c1cc(cc(c1)NC(=[NH2+])N)C(=O)O	9XQ	[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium
+c1cc(cc(c1)N[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	9XR	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2r,3s,4r,5s)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O	9XS	(2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+Cc1cc(ccc1N)Cn2c3c(c(nc(n3)N)c4ccco4)nn2	9XT	3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
+CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Cl)c(ncn2)N	9XV	1-tert-butyl-3-[(3-chlorophenyl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC1(CCN(CC1)C(=O)Nc2nc3c(ccc(c3s2)N4CCOCC4)OC)O	9XW	~{n}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCC[C@@H](C)CCCCCCCC	9XX	(2s)-1-(hexadecanoyloxy)propan-2-yl (10s)-10-methyloctadecanoate
+CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3	9XY	endoxifen
+Cn1nc(nn1)c2cc(cnc2N)c3ccsc3	9XZ	3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN	9Y0	(2r)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (e)-octadec-9-enoate
+c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F	9Y1	2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
+CC(C)(C)CC(=O)Nc1c(cc(cc1F)C(=O)Nc2nccs2)F	9Y2	4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{n}-(1,3-thiazol-2-yl)benzamide
+c1ccc(cc1)/C=C\C=O	9Y3	(2z)-3-phenylprop-2-enal
+Cc1c2c(n(n1)c3cccc(c3)Cl)-c4ccccc4S(=O)(=O)N2	9Y5	1-(3-chlorophenyl)-3-methyl-4~{h}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide
+c1ccc(cc1)/C=C/C=O	9Y6	(2e)-3-phenylprop-2-enal
+c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N	9Y7	2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
+CN1c2c([nH]nc2c3ccc(cc3)F)-c4ccccc4S1(=O)=O	9Y8	3-(4-fluorophenyl)-4-methyl-1~{h}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide
+C[C@H]1Cc2cc(ccc2S(=O)(=O)[N@@](C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)F	9Y9	tert-butyl {(2s,3r)-4-[(4s)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1ccc(cc1)c2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(cc6)S(=O)(=O)N	9YA	2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
+COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@H](CC(=O)O)c5ccccc5)C3	9YB	(3~{r})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid
+c1cc(c(cc1c2cc(n(n2)c3nc(cs3)C(=O)O)O)F)F	9YD	2-[3-(3,4-difluorophenyl)-5-hydroxy-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
+CC(C)n1c2c(c3c1-c4c(cccc4OCC=C(C)C)C3=O)C(=O)CCC2	9YE	4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC[C@@H](C)CCCCCCCCC)COP(=O)(O)OC1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O	9YF	(2r)-2-(hexadecanoyloxy)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9s)-9-methyloctadecanoate
+CC(C)(C)n1c2c(c(n1)Cc3c[nH]c4c3cccc4)c(ncn2)N	9YG	1-tert-butyl-3-[(1h-indol-3-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+COc1cccc(c1O)CN(CCN(Cc2ccccc2SC)CC(=O)O)CC(=O)O	9YH	2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid
+CC(C)(C)n1c2c(c(ncn2)N)c(n1)Sc3cccc(c3)Cl	9YJ	1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CSc1ccccc1CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=O)O	9YK	2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid
+CCOC(=O)[C@@H](C)O	9YL	ethyl (2r)-2-oxidanylpropanoate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)N)O	9YM	[4-({[(1r,2s,3s,4r,5s)-5-amino-2,3,4-trihydroxycyclohexyl]amino}methyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+CC(C)C[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N	9YN	(2~{s})-~{n}-[(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-4-methyl-pentanamide
+Cc1ccc2c(c1)c(cn2S(=O)(=O)c3ccccc3Cl)[C@@H]4CNC(=N4)C	9YO	1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4r)-2-methyl-4,5-dihydro-1h-imidazol-4-yl]-1h-indole
+c1nc2c(n1C[C@H](COCCP(=O)(O)O)COCP(=O)(O)O)N=C(NC2=O)N	9YP	{[(2r)-2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methyl]-3-(2-phosphonoethoxy)propoxy]methyl}phosphonic acid
+CCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ncc4c(n3)N(c5ccc(cc5C(=O)N4C)C)C	9YQ	4-(propanoylamino)-~{n}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide
+CNC(=O)c1cnc(cc1N[C@@H](Cc2ccccc2)CO)Nc3ccc4c(c3)scn4	9YS	6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2s)-1-hydroxy-3-phenylpropan-2-yl]amino}-n-methylpyridine-3-carboxamide
+CC(=O)NCC[C@@H](C(=O)O)N	9YT	(2~{s})-4-acetamido-2-azanyl-butanoic acid
+COCCOCCOCCOCCOCCOCCOCCO	9YU	2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
+CN1CCC(CC1)NC(=O)c2ccc(cc2)Nc3cc(c(cn3)C(=O)N)NCc4ccccc4	9YV	4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)O)O)O)O)O	9YW	(alpha-d-glucopyranosyloxy)acetic acid
+c1ccc(cc1)CNc2cc(ncc2C(=O)N)Nc3ccc4c(c3)CC(=O)N4	9YY	4-(benzylamino)-6-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]pyridine-3-carboxamide
+CCC(=O)N1CCN(c2c1cccc2)C(=O)OC	9YZ	methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
+c1c(c([nH]c1C(=O)NCCCO)Br)Br	9Z0	4,5-dibromo-n-(3-hydroxypropyl)-1h-pyrrole-2-carboxamide
+CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)O	9Z1	(3e,7ar,12as)-6-hydroxy-3-[(1h-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1h,5h-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3h)-dione
+CCC(=O)Nc1ccc(cc1)c2ncccn2	9Z2	~{n}-(4-pyrimidin-2-ylphenyl)propanamide
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)O)O	9Z3	n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-l-cysteine
+CCC(=O)Nc1cccc(c1)CNc2c3cccn3ncc2C(=O)N	9Z4	4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CSSC[C@@H](C(=O)O)N)C(=O)O)O	9Z6	(5r,12r,17r)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name)
+CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)OC	9Z7	(3e,7ar,12as)-3-[(1h-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1h,5h-imidazo[1 ',2':1,2]pyrido[2,3-b]indole-2,5(3h)-dione
+c1ccc(cc1)NC(=O)CCCCCNC(=O)CS	9Z8	6-(2-mercaptoacetylamino)-n-phenylhexanamide
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(COC)COC)C)C)C)OC1	9Z9	(3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en
+C[C@@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	9ZA	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~{s})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
+CCC(=O)N1CCN(c2c1cccc2)CC	9ZB	1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
+CC(C)c1cc(c(cc1O)O)c2c(c([nH]n2)NC(=O)C)c3ccc(cc3)OC	9ZC	n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1h-pyrazol-5-yl}acetamide
+C[C@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	9ZD	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~{r})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
+CC(=O)c1ccc2c(c1)OCCO2	9ZE	1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
+c1cc(c(c(c1NC(=O)NC2C3CC4CC(C3)CC2C4)F)F)F	9ZF	1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea
+CN(CN)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2	9ZG	(phenylmethyl) ~{n}-[(2~{s})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
+C[C@@H]1Nc2ccc(cc2[C@@](O1)(C#CC3CC3)C(F)(F)F)Cl	9ZJ	(2r,4s)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2h-3,1-benzoxazine
+C[C@H]1CC/C=C(/C[C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](CC(=O)O1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCN)C)\C	9ZK	(4~{r},7~{r},10~{s},13~{s},15~{e},19~{s})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{h}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
+COC(=O)Nc1ccc-2c(c1)NC(=O)CCc3c(ccc(n3)C[C@@H](c4[nH]cc2n4)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl)F	9ZM	methyl [(11s)-11-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2h-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate
+CC[C@@H]1C2NN=CN2c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CC6	9ZP	4-[[(4r)-5-cyclopentyl-4-ethyl-3a,4-dihydro-3h-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-n-cyclopropyl-3-methoxy-benzamide
+Cc1cc2c(cc1C)nc3c4ccc[n+]5c4c6c(c3n2)ccc[n+]6[Ru]578([n+]9cccc1c9c2[n+]7cccc2cc1)[n+]1cccc2c1c1[n+]8cccc1cc2	9ZQ	ru(phen)2(dppz-11,12-me2)
+c1cc(c(c(c1)Cl)c2[nH]c3ccnc(c3n2)NC(=O)C4CC4)Cl	9ZS	n-[2-(2,6-dichlorophenyl)-1h-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
+COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O	9ZT	(1r,2s,4s,5r)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
+c1ccc(cc1)CC2=NN3C(=Nc4ccccc4C3=NC2=O)CCC(=O)O	9ZV	3-(3-benzyl-2-oxo-2h-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid
+CC1=C(C(=O)Oc2c1ccc(c2)O[C@H](C)c3ccccc3)CN4CCOCC4	9ZW	4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{r})-1-phenylethoxy]chromen-2-one
+CC1=C(C(=O)Oc2c1ccc(c2)OC[C@@H](C)c3ccccc3)CN4CCOCC4	9ZX	4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{s})-2-phenylpropoxy]chromen-2-one
+CC1=CC(=O)Oc2c1c(nn2c3ccc(c(c3)C(=O)O)Cl)c4ccccc4	9ZY	2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6h)-yl)benzoic acid
+c1ccc(c(c1)C2=C3C=C(C(=O)C(=C3Oc4c2cc(c(c4I)O)I)I)I)C(=O)O	9ZZ	erythrosin
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	A	adenosine-5'-monophosphate
+CC(C)CN([C@@H](CCCCNC(=O)[C@H](C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)N	A00	n-[(5s)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+[B-](CNC(=O)c1c(cccc1OC)OC)(O)(O)O	A01	[(2,6-dimethoxyphenyl)carbonylamino]methyl-trihydroxy-boron
+[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	A02	(10r,20r,23r)-10-(4-aminobutyl)-1-[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide
+[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](C)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	A03	(10r,20r,23r)-1-[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide
+c1ccc(c(c1)c2ccc(o2)C(=O)O)OC(F)(F)F	A04	5-[2-(trifluoromethoxy)phenyl]-2-furoic acid
+c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)O	A05	5-(2-chloro-4-nitrophenyl)-2-furoic acid
+c1cc(ccc1[C@@H](Cc2[nH]c3ccc(cc3n2)Cl)CC(=O)O)Cl	A06	(3s)-4-(5-chloro-1h-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid
+CCCC(=O)Nc1c2cc(c(cc2[nH]n1)Cl)c3ccccc3	A07	n-(6-chloro-5-phenyl-1h-indazol-3-yl)butanamide
+c1cc(nc(c1)Cl)[C@@H](C#N)c2ccc(cc2)Cl	A08	(2s)-(4-chlorophenyl)(6-chloropyridin-2-yl)ethanenitrile
+c1ccc(cc1)S(=O)(=O)NO	A09	n-hydroxybenzenesulfonamide
+C([C@@H](C(=O)O)N)C(=O)OC=O	A0A	(2s)-2-amino-4-(formyloxy)-4-oxobutanoic acid
+c1c2c(c(c(c1Br)[O-])Br)OC3=C(C(=O)C(=CC3=C2c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)O)Br)Br	A0B	phloxine b
+Cc1cc(nc(n1)SCc2cc(no2)C(=O)N)C	A0C	5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide
+CC[N@]1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4	A0D	n-adamantan-2-yl-1-ethyl-d-prolinamide
+C(=C(/C(=O)O)\N)\O	A0G	(2z)-2-amino-3-hydroxyprop-2-enoic acid
+CS(=O)(=O)NCc1cccc(c1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl	A0H	n-(3-{3-chloro-8-[(4-morpholin-4-ylphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzyl)methanesulfonamide
+C[C@]1(c2cc(ccc2NC1=O)c3cnn(c3)C)Cc4ccccc4	A0J	3-benzyl-3-methyl-5-(1-methylpyrazol-4-yl)indolin-2-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(CO)CO)O)O)O)O	A0K	1,3-dihydroxypropan-2-yl alpha-d-glucopyranoside
+CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)Cc5nc(no5)C(C)(C)C)C	A0L	2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3h)-one
+CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C	A0O	7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N	A0P	9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-l-arabinofuranosyl}-9h-purin-6-amine
+CN1CCN(CC1)c2ccc(c(c2)C(=O)Nc3cccnc3)OCc4ccccc4	A0Q	5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{n}-pyridin-3-yl-benzamide
+COc1ccccc1/C=C/C(=O)c2ccc(cc2O)O	A0R	2',4'-dihydroxy-2-methoxychalcone
+Cc1ccc2c(c1)[C@H](N(CC(=O)N2)C(=O)c3ccc(o3)Br)c4ccc(cc4)F	A0S	(5r)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one
+CCNc1c(cnc(n1)Nc2cc(c(cc2OC)C(=O)N3CCOCC3)F)C(F)(F)F	A0T	[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone
+[H]/N=C\N(CC(=O)N(C)Cc1ccccc1)NC(=O)OC(C)(C)C	A0U	~{tert}-butyl ~{n}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate
+B(Cn1cc(nn1)C(=O)O)(O)OP(=O)(O)O	A0V	1-{[hydroxy(phosphonooxy)boranyl]methyl}-1h-1,2,3-triazole-4-carboxylic acid
+C1CCC(CC1)N2C(=C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O)O	A0W	2-[[1,3-dicyclohexyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid
+B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)OP(=O)(O)O	A0Y	phosphonooxy-[[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid
+c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2I)I)I)I	A0Z	8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid
+CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)Cl	A11	ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N	A12	phosphomethylphosphonic acid adenosyl ester
+Cc1cc(nc(n1)N)C(F)(F)F	A13	4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
+CC1([C@@H]([C@@H]2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C	A14	(1s,4s,5s,7r)-7-{[(5s)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid
+c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O	A15	3'-3"-dichlorophenol-1,8-3h-benzo[de]isochromen-1-one
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3CC([C@H]([C@@H]([C@H]3O)O)O)CO	A16	4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranosyl)-beta-d-glucopyranose 
+Cc1ccccc1c2c3ccc(cc3cnn2)c4cc(ccc4C)C(=O)NC5CC5	A17	n-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
+c1ccc(c(c1)Cc2ccc(o2)C(=O)O)Cl	A18	5-(2-chlorobenzyl)-2-furoic acid
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)O)Br)Cl	A19	5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid
+CC(C)[C@@H](C(=O)N[N@](Cc1ccccc1)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	A1A	6-amino hexanoic acid
+[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O	A1B	1-deoxy-alpha-l-xylulofuranose-1,2-borate
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)Cl)C	A1C	1-(3-chloro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@@H]4CCCC5=C4C=CC(=O)N5	A1E	(5r)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1h)-one
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3F)C	A1F	1-(2-fluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+C1C2CC3CC1CC(C2)(C3)[C@@H](C(=O)O)N	A1G	(2s)-amino[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid
+c1cn(nn1)C2=CNN(C2=O)c3cc(ncn3)N4CCOCC4	A1H	2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{h}-pyrazol-3-one
+c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)C2CC=CC2	A1I	n-(cyclopent-3-ene-1-carbonyl)-l-histidine
+B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP(=O)(O)O	A1J	3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid
+CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)C(=O)N4CCOCC4)Cl	A1K	[4-[[5-chloranyl-4-(methylamino)-7~{h}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone
+[H]/N=C(\NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)C[N-][N+]#N)/NC(=O)NC	A1L	[2-[[(2s)-1-[bis(phenylmethyl)amino]-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide
+B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)OP(=O)(O)O	A1M	phosphonooxy-[[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid
+C[C@@H]1CN(C[C@@H](O1)C)c2cc(ncn2)c3c4cc(ccc4[nH]n3)OC5(CC5)C	A1N	(2~{r},6~{s})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{h}-indazol-3-yl]pyrimidin-4-yl]morpholine
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3)C	A1O	quinabactin
+c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@H](=O)O)O	A1P	9-{2-deoxy-5-o-[hydroxy(oxido)phosphino]-beta-l-erythro-pentofuranosyl}-9h-purin-2-amine
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O	A1Q	methyl l-glycero-alpha-d-manno-heptopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N	A1R	5'-o-[(s)-{[(s)-{[(2r,3r,4s)-3,4-dihydroxypyrrolidin-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
+CC(C)CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	A1S	isopentyl-coenzyme a
+CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6	A1T	5-pentyl-n-{[4'-(piperidin-1-ylcarbonyl)biphenyl-4-yl]methyl}-n-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-2-carboxamide
+Cc1cnc(c(n1)C)O	A1U	3,5-dimethylpyrazin-2-ol
+c1cc(nc(c1c2nc(cs2)C(=O)O)c3csc(n3)c4csc(n4)CN)c5nc(cs5)C(=O)O	A1V	2,2'-(6-(2'-(aminomethyl)-[2,4'-bithiazol]-4-yl)pyridine-2,5-diyl)bis(thiazole-4-carboxylic acid)
+CCOC(=O)[C@H](CC(=O)N(CC(C)C)N)O	A1X	ethyl (2s)-2-hydroxy-4-[1-(2-methylpropyl)hydrazino]-4-oxobutanoate
+Cc1cc(nc(c1C#N)N2CCOCC2)C	A1Y	4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
+c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O	A1Z	vadadustat
+C(CN)CS(=O)(=O)O	A20	3-aminopropane-1-sulfonic acid
+C[C@@H](c1ccccc1F)NC2=NC(=O)[C@@](S2)(C)C(F)(F)F	A21	(5s)-2-{[(1s)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O)N	A22	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N	A23	adenosine-5'-phosphate-2',3'-cyclic phosphate
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCN3CCOCC3	A24	(3-nitro-5-(2-morpholin-4-yl-ethylaminocarbonyl)phenyl)-galactopyranoside
+c1cc2c(cc1Cl)NC(=O)Nc3cncc(n3)OCCCCCO2	A25	18-chloro-11,12,13,14-tetrahydro-1h,10h-8,4-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecin-2-one
+C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/O	A26	(2z)-2-cyano-3-hydroxy-n-[4-(trifluoromethyl)phenyl]but-2-enamide
+CCCC(=O)Nc1c2cc(c(cc2[nH]n1)c3ccc(cc3)O)c4ccccc4	A27	n-[6-(4-hydroxyphenyl)-5-phenyl-1h-indazol-3-yl]butanamide
+CCCC(=O)Nc1c2cc(c(c(c2[nH]n1)F)F)c3ccccc3	A28	n-(6,7-difluoro-5-phenyl-1h-indazol-3-yl)butanamide
+c1cc(cc(c1)O)C(=O)C(=O)O	A29	2-(3-hydroxyphenyl)-2-oxo-ethanoic acid
+[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)CO)O)(O)O	A2B	l-xylulofuranose-1,2-borate
+[H]/N=C(\N)/c1cc(c(cc1)O)C=NCCN=Cc2c(ccc(c2)/C(=N\[H])/N)O	A2C	3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	A2D	bis{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@H]4CCCC5=C4C=CC(=O)N5	A2E	(5s)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1h)-one
+c1[nH]c2c(nc(nc2n1)F)N	A2F	2-fluoroadenine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O	A2G	2-acetamido-2-deoxy-alpha-d-galactopyranose
+[B-]12(c3c(ccc(c3[C@H](O1)CN)Cl)OCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-]	A2H	4-chloro-3-aminomethyl-7-[ethoxy]-3h-benzo[c][1,2]oxaborol-1-ol modified adenosine
+Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccccc3)C	A2I	2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-n-[3-(phenoxymethyl)phenyl]ethanamide
+c1ccc2c(c1)NC(=O)C(=N2)C(F)(F)F	A2J	3-(trifluoromethyl)quinoxalin-2(1h)-one
+C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]([C@@H]2C(=O)C5CC5)C=C)c6ccc(cc6)c7cccnc7	A2K	(8s,11r,13s,14s,16s,17s)-17-cyclopropylcarbonyl-16-ethenyl-13-methyl-11-(4-pyridin-3-ylphenyl)-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
+COCCO[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O	A2L	3'-o-methyoxyethyl-adenosine 5'-monophosphate
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	A2M	2'-o-methyladenosine 5'-(dihydrogen phosphate)
+CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1O)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	A2N	[(2r,3s,4r,5r)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccccc3	A2O	n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N	A2P	adenosine-2'-5'-diphosphate
+C1CC=CC(=O)C1	A2Q	cyclohex-2-en-1-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)N	A2R	[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)N(C)c3ccncc3)C4CCN(CC4)CCC(C)C	A2T	n-[1-(3-methylbutyl)piperidin-4-yl]-n-{4-[methyl(pyridin-4-yl)amino]benzyl}-4-pentylbenzamide
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3cc(c(c(c3)F)C)F	A2V	1-(3,5-difluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)Cn4ccnc4	A2W	3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole
+Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)Sc3ccccc3)C	A2X	2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-n-(4-phenylsulfanylphenyl)ethanamide
+c1cc(sc1)c2cc(no2)C[NH2+]C34CC5CC(C3)CC(C5)C4	A2Y	(3s,5s,7s)-n-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium
+CC1=CC(=O)N(c2c1ccc3c2OCO3)C	A2Z	6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)N2	A31	n-{15-oxo-19-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-n'-(8-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3	A32	(3-nitro-5-(3-morpholin-4-yl-propylaminocarbonyl)phenyl)-galactopyranoside
+C(C(=O)O)C(CC(=O)O)(C(=O)O)N	A33	2-(carboxymethyl)-d-aspartic acid
+CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	A34	n6-methyl deoxyadenosine 5'-monophosphate
+CNc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	A35	2-amino deoxyadenosine 5'-monophosphate
+CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F	A36	n-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide
+c1cc2c(cc1Cl)nc(o2)NS(=O)(=O)c3cc(ccc3Cl)Cl	A37	2,5-dichloro-n-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	A38	8-oxy deoxyadenosine-5'-monophosphate
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	A39	2'-o-methyl-adenosine 5'-monophosphate
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	A3A	2'deoxy-alpha-anomeric-adenosine-5'-phosphate
+C=C[C@H](C(=O)[O-])[NH3+]	A3B	d-vinylglycine
+C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC[N@@](C)CCO[P@](=O)(O)OP(=O)(O)O)(C)C	A3C	2-(methyl{2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate
+CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	A3D	3-acetylpyridine adenine dinucleotide
+CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(cc3)CN4CCOCC4	A3E	5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine
+COc1cc(cc(c1OC)OC)c2cc(cnc2N)c3cccc(c3)O	A3F	3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N	A3G	3'-deoxy-3'-(glycylamino)adenosine
+Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)Nc4ccn(n4)C	A3H	4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile
+CCc1cc2c([nH]1)c(c(c(n2)C(F)(F)F)C#N)N3CC[C@](C3)(C)O	A3J	2-ethyl-7-[(3s)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1h-pyrrolo[3,2-b]pyridine-6-carbonitrile
+Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)N	A3K	6-azanyl-4-(3-methylphenyl)-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile
+CC(C)[C@@H](C(=O)N1CCCC1)N	A3M	2-amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one
+C#CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	A3N	5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N	A3P	adenosine-3'-5'-diphosphate
+c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N	A3Q	4-(3-hydroxyphenyl)-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C[C@H](CN4)O)O)O)N	A3R	 adenosine diphosphate (hydroxymethyl)pyrrolidine monoalcohol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N	A3S	serine-3'-aminoadenosine
+C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O	A3T	3'-deoxy-3'-(l-threonylamino)adenosine
+c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCN)O	A3V	(1r)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
+c1c(c(cnc1N)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F	A3W	5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
+C/C(=N\NC(=S)N)/c1ccc(c(c1)OC)O	A3X	n-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone
+c1c(c(c(nc1N2CCN(CC2)CCO)N3CCC[C@@H](C3)CO)C#N)C(F)(F)F	A3Y	6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3s)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+CNc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	A40	n2-methyl 2'-deoxyadenosine 5'-monophosphate
+Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccccc2	A41	5-methyl-2-[(phenylsulfonyl)amino]benzoic acid
+COc1cc(c(cc1NC(=O)Nc2cnc(cn2)C#N)Cl)OC	A42	1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-yl)urea
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N	A43	3'-amino deoxyadenosine 5'-monophosphate
+COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	A44	2'-o-methyoxyethyl-adenosine 5'-monophosphate
+c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)O	A45	3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-benzoic acid
+c1cc(ccc1[C@H](CO)O)NC(=O)c2cc3cc(ccc3[nH]2)Cl	A46	5-chloro-n-{4-[(1r)-1,2-dihydroxyethyl]phenyl}-1h-indole-2-carboxamide
+CONc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	A47	n6-methoxy adenosine 5'-monophosphate
+B(c1c(cc(cc1C)C)C)(c2c(cc(cc2C)C)C)N(CC(F)(F)F)c3ccc(cc3)O	A48	4-[(dimesitylboryl)(2,2,2-trifluoroethyl)amino]phenol
+C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCN(CC3)CC4(CC4)C(=O)N)(C(F)(F)F)O	A49	n-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
+c1ccc2c(c1)cc3c4c2c5c(cc4C(=O)N3)OCO5	A4A	[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6h)-one
+COc1ccccc1c2ccc(cc2Cl)CN	A4B	[3-chloranyl-4-(2-methoxyphenyl)phenyl]methanamine
+CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C	A4C	9,9'-(hexane-1,6-diyldiimino)bis{n-[2-(dimethylamino)ethyl]acridine-4-carboxamide}
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CS)O)O)N	A4D	5'-thioadenosine
+C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(c(n4)CO)Cc5ccc(cc5)F)(C)C	A4E	1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[[(3~{r})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone
+c1cc(c(cc1N)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O	A4F	5-amino-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid
+Cc1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)CO	A4G	[(3r)-1-(5-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
+CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C2CC2)O)(C)C	A4H	(2~{z},4~{e})-3-cyclopropyl-5-[(1~{s})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid
+C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	A4I	(1r,2r,4s)-4-{(2r)-2-[(3s,6r,7e,9r,10r,12r,14s,15e,17e,19e,21s,23s,26r,27r,30s,34as)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3h-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
+C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@@H]([C@H](C3)O)O)C(F)(F)F)C#N)O	A4J	6-[(3s,4s)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3s)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+CC1=CC(=O)CC([C@]1(C#C/C(=C\C(=O)O)/C(F)(F)F)O)(C)C	A4K	(~{e})-3-(trifluoromethyl)-5-[(1~{s})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid
+CC(=O)N[C@H](CCCCNc1c2ccc(cc2[nH+]c3c1cc(cc3)OC)Cl)C(=O)N[C@H](CCCCN)C(=O)C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NN[C@@H](CCCCN)C=O	A4L	9-[(5-(acetylamino)-6-{[(1s,4r)-8-amino-4-[((2r)-6-amino-2-{2-[(1s)-5-amino-1-formylpentyl]hydrazino}hexanoyl)amino]-1-(4-aminobutyl)-2,3-dioxooctyl]amino}-6-oxohexyl)amino]-6-chloro-2-methoxyacridinium
+Cc1nc(c2c(n1)n(cn2)C3CN(C3)C(=O)c4cc(n(n4)C)CN5CCN(CC5)C6CCCCCC6)N	A4M	[3-(6-amino-2-methyl-9h-purin-9-yl)azetidin-1-yl]{5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-methyl-1h-pyrazol-3-yl}methanone
+Cc1ccccc1c2ccc(cc2Cl)CN	A4N	[3-chloranyl-4-(2-methylphenyl)phenyl]methanamine
+c1cc(c(cc1O)O)/C=N/NC(=S)N	A4O	n-(2,4-dihydroxybenzylidene)-thiosemicarbazone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OCC4=NC5=C(NC4)N=C(NC5=O)N)O)O)N	A4P	6-(adenosine tetraphosphate-methyl)-7,8-dihydropterin
+CCc1ccccc1c2ccc(cc2Cl)CN	A4Q	[3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine
+Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4cccs4)NC(=O)C5CCCC5)C(C)C	A4R	n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CCC=C(C)CNc1ccccc1	A4S	(2e,6e)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate
+c1ccc(c(c1)c2ccc(cc2Cl)CN)F	A4T	[3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine
+c1ccc(cc1)C[n+]2cnc(c3c2[nH]cn3)N	A4V	3-benzyladenine
+c1cc(c(c(c1)Cl)F)NC(=O)CCS	A4W	~{n}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide
+Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccsc4)NC(=O)C5CCC(CC5)(F)F)C(C)C	A4X	4,4-difluoro-n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide
+Cc1ncc2c(n1)N[C@]3(N(C2)[C@H]([C@H](S3)CCOP(=O)(O)OP(=O)(O)O)C)[C@](C)([C@@](C)(C(=O)O)O)O	A4Y	(2s,3s)-2,3-dihydroxy-3-[(7s,8r,9as)-8-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9ah-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid
+CCCCOc1ccc(cc1)CC(=O)NO	A4Z	2-(4-butoxyphenyl)-n-hydroxyacetamide
+CCCCCc1ccc(cc1CCc2ccccn2)c3ccc(cc3)S(=O)(=O)CCO	A50	2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol
+c1ccc(cc1)N\C=C\2/CCOC2=O	A51	(3e)-3-[(phenylamino)methylidene]dihydrofuran-2(3h)-one
+[B-]12(c3c(cccc3OCC)[C@H](O1)CN)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-]	A52	3-aminomethyl-7-(ethoxy)-3h-benzo[c][1,2]oxaborol-1-ol modified adenosine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)c4ccc5c(c4)/C(=C/c6ccc[nH]6)/C(=O)N5)N	A53	5-{5-[(s)-2-amino-3-(1h-indol-3-yl)-propoxyl]-pyridin-3-yl}-3-[1-(1h-pyrrol-2-yl)-meth-(z)-ylidene]-1,3-dihydro-indol-2-one
+c1ccc(cc1)[C@@H](CCN)Oc2cc(ccc2C#N)Cl	A54	2-[(1r)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile
+c1cc(c2c(c1F)C(=N[C@@H](N2)CCNC(=O)c3ccoc3)N)F	A55	n-[2-(4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl)ethyl]-3-furamide
+c1ccc2cc(c(cc2c1)c3nc(nc(n3)N)N)Br	A56	6-(3-bromo-2-naphthyl)-1,3,5-triazine-2,4-diamine
+Cc1cc([n+](c(c1)C(C)C)CCc2cnc[nH]2)C(C)C	A57	1-[2-(1h-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium
+CC1CCC(CC1)NCc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(cc5)C(=O)O	A58	4-(6-{[(4-methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid
+CCCCCc1ccc(cc1/C=C\c2ccccn2)c3ccc(cc3)S(=O)(=O)CCO	A59	2-({4'-pentyl-3'-[(z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol
+C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	A5A	'5'-o-(n-(l-alanyl)-sulfamoyl)adenosine
+COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F	A5B	alisertib 
+C([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O	A5C	alpha-l-talofuranose
+c1ccc(cc1)CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	A5D	(2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol
+c1cc(sc1)C2=NNC(=O)CC2	A5E	3-thiophen-2-yl-4,5-dihydro-1~{h}-pyridazin-6-one
+CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#C[C@@H]2C[C@H]2CO)N	A5F	n-[(2s)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1r,2r)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide
+CC1(CCN(CC1)c2nn3c(cnc3s2)c4ccc(cc4F)F)N	A5G	1-[(4s)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine
+c1cc(ccc1C2=CSC3=NCCN23)Cl	A5H	3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
+COc1cc(cc(c1O)OC)/C=N/NC(=S)N	A5I	n-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone
+c1c(c(nc(c1N(O)O)N)O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	A5J	(1r)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-d-erythro-pentitol
+c1c(cnc(c1Cl)N2CCCNCC2)C(F)(F)F	A5K	1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N	A5L	9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-9h-purin-6-amine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N	A5M	2'-amine-cytidine-5'-monophosphate
+[H]/N=C(\C[C@@H](C(=O)O)N)/OC(=O)O	A5N	o-carboxy-4-imino-l-homoserine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	A5O	adenine arabinose-5'-phosphate
+C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O	A5P	arabinose-5-phosphate
+c1cc(ccc1c2c(snn2)N)C(F)(F)F	A5Q	4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine
+C(CCC(=O)O)CC(=O)[C@H](CCCNC(=[NH2+])N)N	A5R	amino{[(4s)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium
+c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F	A5T	(1r,5s)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-n-cyclopropyl-n-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
+CC(C)(C)OC(=O)NC(C)(C)[C@@H](C(=O)OC)N	A5U	methyl (2s)-2-azanyl-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
+c1cc(cc(c1)OCC2CCCCC2)[C@H](CCN)O	A5V	(1s)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
+COc1ccccc1C2CCN(CC2)C(=O)C3CCC3	A5W	cyclobutyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)P(=O)O)CCOP(=O)(O)OP(=O)(O)O	A5X	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1s)-1-hydroxy-1-[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+c1ccc(cc1)N2C(=O)c3cn(nc3N=C2SCc4cccc(c4)F)C5COC5	A5Y	6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+Cc1c(c(no1)c2c(cccc2Cl)Cl)CO	A5Z	[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	A60	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5	A61	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate
+c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)O)Cl	A62	(3r)-4-(4-chlorophenyl)-1-[(3s,4r)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one
+COc1ccc(cc1)C2=CC(=O)c3ccccc3O2	A63	2-(4-methoxyphenyl)-4h-chromen-4-one
+CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2	A64	4'-isopropylflavone
+CSc1c(c(sn1)SC)CO	A65	[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol
+c1nc(c2c(n1)n(cn2)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O)N	A66	2-aminoethyllysine-carbonylmethylene-adenine
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)C	A68	n~2~-acetyl-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-l-isoleucinamide
+c1ccc(cc1)CCC[N@@](C[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)O)O)S(=O)(=O)c4ccc5c(c4)scn5	A69	n-{(2s,3r)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide
+c1nc(c2c(n1)n(cn2)[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)O)N	A6A	2-(6-amino-9h-purin-9-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)N2	A6B	(3s,5s,7s)-n-[6-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+C1[C@H]([C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)N2C=CC(=NC2=O)N	A6C	2-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol
+c1cc(cc(c1)[N+](=O)[O-])CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	A6D	(2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol
+c1cc(ccc1OCCC(=O)N2CCSCC2)F	A6E	3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one
+c1nc2c(n1[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)O)N=C(NC2=O)N	A6G	2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol
+c1cc(c(c(c1)Cl)Oc2ccc(cn2)N)Cl	A6H	6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine
+C[C@@H](C(=O)NCc1ccc(cc1)C(=O)NO)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	A6I	n-[(benzyloxy)carbonyl]-l-leucyl-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-l-alaninamide
+COc1c(c(c(c(c1F)F)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4c(c(c(c(c4F)F)OC)F)F)OS(=O)(=O)O)CO)O)F)F	A6J	(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-b-d-galactopyranosyl)-(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-2-o-sulfo-b-d-galactopyranosyl)-sulfide
+c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)N)Cl	A6K	(3r)-3-azanyl-4-(4-chlorophenyl)-1-[(3s,4r)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
+CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O	A6L	2,3-dihydroxypropyl (9z)-octadec-9-enoate
+c1cc(ccc1C[C@H](CC(=O)N2C[C@H]([C@@H](C2)c3ccc(cc3)Cl)CO)N)Cl	A6M	(3r)-3-amino-4-(4-chlorophenyl)-1-[(3r,4s)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
+c1ccc(cc1)n2cc(nn2)COc3ccc(cc3)S(N)(O)O	A6N	4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole
+CC[C@]1([C@H](CCC1=O)O)C/C=C/2\CCCc3c2ccc(c3)OC	A6O	(2r,3s)-2-ethyl-2-[(2e)-2-(6-methoxy-3,4-dihydro-2h-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one
+C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O	A6P	6-o-phosphono-alpha-d-allopyranose
+CCNC(=S)N/N=C/c1ccc(c(c1)O)O	A6Q	n-(3,4-dihydroxybenzylidene)-thiosemicarbazone
+CC1=N[Pt]2N=C(O[As]2(O1)(O)O)C	A6R	arsenoplatin-1
+COc1cccc(c1)c2cc(ccn2)n3cc(c4c3cc(cc4)F)CNCC5CCCCC5	A6S	1-cyclohexyl-n-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1h-indol-3-yl}methyl)methanamine
+c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@H]4CNC[C@@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F	A6T	(1s,5r)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-n-cyclopropyl-n-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
+C1[C@H]([C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)N2C=CC(=O)NC2=O	A6U	1,5-anhydro-2-deoxy-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-altritol
+CC1=C(C(CCC1)(C)C)COc2cccc(c2)[C@@H](CCN)O	A6V	(1r)-3-amino-1-{3-[(2,6,6-trimethylcyclohex-1-en-1-yl)methoxy]phenyl}propan-1-ol
+COC(=O)c1c(cc(s1)c2cccs2)N	A6W	methyl 3-azanyl-5-thiophen-2-yl-thiophene-2-carboxylate
+Cc1ccc(c(c1)Cn2c3ccccc3nc2[C@H](c4ccncc4)O)C	A6Y	(s)-{1-[(2,5-dimethylphenyl)methyl]-1h-benzimidazol-2-yl}(pyridin-4-yl)methanol
+c1cc(cc(c1)Cl)N2CC[NH+](CC2)CC#N	A6Z	2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile
+CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C[C@@H](C(C)C)C(=O)NCCCC)O)N2CCN([C@@H](C2=O)Cc3ccccc3)C(=O)N4CCN(CC4)C	A70	n-ethyl-n-[(4-methylpiperazin-1-yl)carbonyl]-d-phenylalanyl-n-[(1s,2s,4r)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hyd roxy-5-methylhexyl]-l-norleucinamide
+C(CCC[NH2][Pt]([NH3])([NH3])[NH3])CCN	A71	(6-aminohexylamine)(triammine) platinum(ii) complex
+CCCCCC[NH2][Pt]([NH3])([NH3])[NH2]CCCCCC	A72	trans-bis(hexylamine)-(diammine) platinum(ii) complex
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Br	A73	2-(4-bromophenyl)-4h-chromen-4-one
+COc1ccc(cn1)c2cc(cc3c2oc(n3)NS(=O)(=O)c4cc(ccc4Cl)Cl)OC	A74	2,5-dichloro-n-[5-methoxy-7-(6-methoxypyridin-3-yl)-1,3-benzoxazol-2-yl]benzenesulfonamide
+c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3	A75	2-[(phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4	A76	n-{1-benzyl-(2r,3r)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4	A77	n-{1-benzyl-(2r,3s)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3cccc[nH+]3)O)NC(=O)N(C)Cc4cccc[nH+]4	A78	n-{1-benzyl-3-hydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4	A79	n-{1-benzyl-(2s,3s)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+Cc1ccc(c(c1)Cn2c3cc(ccc3nc2[C@@H](c4ccncc4)O)c5cnn(c5)C)C	A7A	(r)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1h-pyrazol-4-yl)-1h-benzimidazol-2-yl}(pyridin-4-yl)methanol
+CC1=CC(=O)Nc2c1cccc2OC	A7B	8-methoxy-4-methylquinolin-2(1h)-one
+c1cc(ccc1n2cc(nn2)c3c4c(ncnc4n(n3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(O)(O)O)O)O)N)Br	A7C	3-[1-(4-bromophenyl)-1h-1,2,3-triazol-4-yl]-1-[5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-ribofuranosyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@H](CO)O)O)O)N	A7D	5'-s-[(3r)-3,4-dihydroxybutyl]-5'-thioadenosine
+C#Cc1c2c(ncnc2n(n1)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	A7E	3-ethynyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1nc2ccc(cc2n1Cc3ccccc3OC(F)F)c4ccc(nc4)N5CCNCC5	A7G	1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1h-benzimidazole
+CCOc1ccc2c(c1)sc(n2)C	A7H	6-ethoxy-2-methyl-1,3-benzothiazole
+CC(C)N1CCC(CC1)NS(=O)(=O)CCNC(=O)c2ccc(s2)Cl	A7I	5-chloro-thiophene-2-carboxylic acid [2-(1--isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide
+c1ccc(c(c1)C[NH3+])N2CCC(CC2)CO	A7K	[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylazanium
+CCNC(=S)N/N=C/c1cc(ccc1O)O	A7L	n-(2,5-dihydroxybenzylidene)-thiosemicarbazone
+Cc1ccc(c(c1)Cn2c3ccccc3nc2CO)C	A7M	{1-[(2,5-dimethylphenyl)methyl]-1h-benzimidazol-2-yl}methanol
+CCOc1ccc(cc1)[C@@H](C)N	A7N	(1~{r})-1-(4-ethoxyphenyl)ethanamine
+COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O	A7O	(3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2s)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone
+c1ccc(cc1)Oc2ccc(cn2)CO	A7Q	(6-phenoxypyridin-3-yl)methanol
+c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]3[C@H]([C@H]([C@H](O3)N4C=CC(=NC4=O)N)O)O)O)O)C(=O)N	A7R	[[(2s,3s,4r,5s)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4r,5s)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)F)C	A7S	1-(3-fluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+Cc1cccc(c1C)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)OCCOc6c(cc(cc6Cl)C)Cl	A7T	(1r,5s)-n-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-n-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
+c1cc2cc(cnc2c(c1)N)O	A7W	8-amino-3-quinolinol
+CN([C@@H]1CCN(C1)Cc2ccc(cc2)Cl)C(=O)c3cc(nc4c3cccc4)c5cccc(c5)OC	A7Y	n-{(3r)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-n-methylquinoline-4-carboxamide
+COc1cccc(c1)c2c(n(cn2)CC#C)c3ccc(cc3)OS(=O)(=O)F	A7Z	4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1h-imidazol-5-yl]phenyl sulfurofluoridate
+CC1(CCC(c2c1ccc(c2)NC(=O)c3ccc(cc3)C(=O)O)(C)C)C	A80	4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid
+C1=C(C=NC2=C(C(=O)NN21)Br)c3c(c(n[nH]3)C4=CN5C(=C(C(=O)N5)Br)N=C4)[N+](=O)[O-]	A81	6,6'-(4-nitro-1h-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1h)-one)
+CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3C(=O)O)N4CCOCC4	A82	2-[[(1r)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)n2cc(nn2)CNC(=O)c3ccc(cc3)CNC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC	A83	tert-butyl 4-[({[1-((1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1h-1,2,3-triazol-4-yl]methyl}amino)carbonyl]benzylcarbamate
+CN(C)C\C=C/c1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)F	A84	2-[({2-[(1z)-3-(dimethylamino)prop-1-enyl]-4-fluorophenyl}sulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(C([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)(F)F)(O)O)NC(=O)N(C)Cc4ccccn4	A85	n-{1-benzyl-2,2-difluoro-3,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O	A86	(3s,3's,5r,5'r,6s,6'r,8'r)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate
+CCCCN(CCc1c[nH]c2c1ccc(c2)O)CCC3CCCCCC3	A87	3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{h}-indol-6-ol
+COc1cc(ccc1O)CN2[C@@H]([C@@H](C[N@](N(C2=O)Cc3ccc(c(c3)OC)O)Cc4ccccc4)O)Cc5ccccc5	A88	(5r,6r)-2,4-bis-(4-hydroxy-3-methoxybenzyl)-1,5-dibenzyl-3-oxo-6-hydroxy-1,2,4-triazacycloheptane
+Cc1cc(ccc1Br)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c3cccc(c3)I)C(=O)N	A89	n-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithinamide
+c1ccc2c(c1)c(ccn2)NCCCCCCCCNc3c4ccccc4nc5c3CCCC5	A8B	n-quinolin-4-yl-n'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
+CSCCC(=O)O	A8C	3-(methylsulfanyl)propanoic acid
+COc1ccc2c(c1)cc([nH]2)C(=O)NS(=O)(=O)C	A8D	5-methoxy-n-(methylsulfonyl)-1h-indole-2-carboxamide
+C=C(C[C@@H](C(=O)O)N)Br	A8E	(2s)-2-amino-4-bromopent-4-enoic acid
+Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCCCC3	A8F	1-[1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one
+C1CO[C@@H]1C(=O)O	A8G	(2s)-oxetane-2-carboxylic acid
+c1ccc(cc1)[C@H]2CC[C@H]3[C@@H](C2)C(=O)NC3=O	A8H	(3~{a}~{r},5~{s},7~{a}~{s})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione
+c1cc(ccc1O)Sc2ccc(cc2)O	A8K	4-(4-hydroxyphenyl)sulfanylphenol
+Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCC(CC3)O	A8L	1-[1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCCN)O)O)N	A8M	5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine
+c1ccc2c(c1)c(c3c([nH+]2)CCCC3)NCCCCCCCC[NH3+]	A8N	n-9-(1',2',3',4'-tetrahydroacridinyl)-1,8-diaminooctane
+Cc1cc(c(n1c2ccc(cc2)C#N)C)C(=O)CN3CCC(CC3)O	A8O	4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1h-pyrrol-1-yl}benzonitrile
+CCCCCCCCNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C[NH2+]4)O)O)O)O)N	A8P	8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediol
+CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+]	A8Q	[3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium
+CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C	A8S	(2z,4e)-5-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
+CC(C)(c1ccc(nc1)N2CCN(CC2)c3c4ccccc4c(nn3)Cc5ccccc5)O	A8T	2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol
+CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(CC5)N	A8U	propyl (2~{r})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate
+c1cc(cc(c1)OCC2CCCCC2)[C@H](CCO)O	A8V	(1s)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C	A8W	pregnenolone sulfate
+c1ccc2c(c1)c3c(n2CCC(=O)O)CC[C@H](C3)NS(=O)(=O)c4ccc(cc4)F	A8X	3-[(3r)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
+C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O	A8Z	tetrahydrodeoxycorticosterone
+c1cc(ccc1CCNS(=O)(=O)c2ccc(cc2)Cl)CC(=O)O	A90	2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid
+Cc1cc(nc(n1)N)C#Cc2ccccc2CNN3C=COC3=O	A91	3-({2-[(2-amino-6-methylpyrimidin-4-yl)ethynyl]benzyl}amino)-1,3-oxazol-2(3h)-one
+c1cc(c2c(c1)nc([nH]2)c3ccc(cc3F)[C@@H]4CCCCN4)C(=O)N	A92	2-{2-fluoro-4-[(2s)-piperidin-2-yl]phenyl}-1h-benzimidazole-7-carboxamide
+Cc1cc(cc(c1O)C)\C=C\c2cccc(c2)C(=O)Oc3ccc(cc3)F	A93	4-fluorophenyl 3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate
+Cc1cc(nc(n1)N)CNS(=O)(=O)c2cccc(c2)N\C=C\3/CCOC3=O	A94	n-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-{[(e)-(2-oxodihydrofuran-3(2h)-ylidene)methyl]amino}benzenesulfonamide
+COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3)NC(=O)c4ccco4	A95	n-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)furan-2-carboxamide
+c1cc(cc(c1)Nc2c3ccc(c(c3on2)C(=O)Nc4cncnc4)Cl)C(F)(F)F	A96	6-chloro-n-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide
+CCCC1=C(C(=O)NC(=C1)C)CNC(=O)c2cc(cc3c2cnn3C(C)C)c4ccnc(c4)N5CCN(CC5)C	A97	n-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-(propan-2-yl)-1h-indazole-4-carboxamide
+CCSc1nnc(s1)NC(=O)OC	A98	methyl ~{n}-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate
+C[C@@H](c1ccccc1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	A99	5'-o-[(s)-hydroxy{[(r)-hydroxy({(s)-hydroxy[(1s)-1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl]adenosine
+c1cc(ccc1c2ccc(o2)C(=O)NN)Cl	A9B	5-(4-chlorophenyl)furan-2-carbohydrazide
+CC(C)(C)/C=C(\C#N)/C(=O)N[C@@H]1CCC[C@@H]1OCc2cccc(c2)CNC(=O)c3ccc(cc3)CN4CCN(CC4)C	A9C	n-{[3-({[(1s,2r)-2-{[(2e)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)O)C(=O)OC[C@@H](C(=O)O)N	A9D	(2s)-2-amino-2-carboxyethyl 1-carboxy-l-prolyl-l-prolinate
+CCc1ccc(cc1)OCC(=O)N2CCCCC2	A9E	2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone
+CC(C)(C)/C=C(\C#N)/C(=O)N[C@H]1CCC[C@H]1OCc2cccc(c2)CNC(=O)c3ccc(cc3)CN4CCN(CC4)C	A9F	n-{[3-({[(1r,2s)-2-{[(2e)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+CC[C@H](C)n1cc(c2c1cc(cc2C(=O)NCC3=C(C=C(NC3=O)C)C)c4ccc(nc4)N5CCNCC5)C	A9G	1-[(2s)-butan-2-yl]-n-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1h-indole-4-carboxamide
+CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C	A9H	abietic acid
+FP(F)(F)(F)(F)F	A9J	hexafluorophosphate anion
+c1ccc(c(c1)c2ccc(cc2Cl)CN)O	A9K	2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol
+CCOc1cc(ccc1OC)[C@@H](CS(=O)(=O)C)N2C(=O)c3cccc(c3C2=O)NC(=O)C	A9L	n-{2-[(1s)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}acetamide
+CCCCCCCCCCCCCCCCCCCC(=O)NCCO	A9M	n-(2-hydroxyethyl)icosanamide
+Cc1ccc(cc1S(=O)(=O)NC2C=C2)c3c(noc3C)C	A9N	n-cycloprop-2-en-1-yl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-benzenesulfonamide
+CCc1c(c(no1)C)c2ccccc2	A9O	5-ethyl-3-methyl-4-phenyl-1,2-oxazole
+Cc1c(c(on1)C)c2ccccc2	A9P	3,5 dimethyl-4-phenyl-1,2-oxazole
+COc1ccc(c(c1)CN2Cc3cc(c(cc3NC2=O)OS(=O)(=O)N)OC)OC	A9Q	3-(2,5-dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1h)-one
+Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4ccccn4	A9R	7-methoxy-6-(1-methyl-1h-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine
+CC1=CC(=O)CC([C@@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C	A9S	(2z,4e)-5-[(1r)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
+c1cc(ccc1CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5ccc(cc5n4)C(=O)N)Cl	A9T	2-(4-{[1-(4-chlorobenzyl)piperidin-4-yl]methoxy}phenyl)-1h-benzimidazole-5-carboxamide
+c1ccc(cc1)CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5cc(ccc5n4)C(=O)N	A9U	2-{4-[(1-benzylpiperidin-4-yl)methoxy]phenyl}-1h-benzimidazole-6-carboxamide
+c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCO)O	A9V	(1r)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol
+Cc1ccc(c(c1)c2ccc(cc2Cl)C[NH3+])O	A9W	[3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium
+Cc1c(c(n(n1)c2[nH]c3ccccc3n2)O)[C@H]4c5ccccc5C(=O)O4	A9Y	(3r)-3-[1-(1h-benzimidazol-2-yl)-5-hydroxy-3-methyl-1h-pyrazol-4-yl]-2-benzofuran-1(3h)-one
+CCc1cn(nn1)[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4N)COP(=O)(O)O)O	A9Z	2'-deoxy-2'-(4-ethyl-1h-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)c(c3ccccc3[nH+]2)N	AA	9-aminoacridine
+Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccnc(c5)N6CCOCC6	AA0	n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide
+CCOC(=O)CCC(=O)N(CC(=O)O)N	AA1	[1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid
+CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCOCC4)Cl)N	AA2	4-aryl-2-phenylamino pyrimidine
+CCC(C(=O)O)N	AA3	2-aminobutyric acid
+C(C[C@@H](C(=O)O)N)CO	AA4	2-amino-5-hydroxypentanoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCSC)C(=O)O)O	AA5	n-[(3-hydroxy-2-methyl-5-{[(trihydroxyphosphoranyl)oxy]methyl}pyridin-4-yl)methylene]methionine
+CN[C@@H](Cc1cc(c(cc1NCO)O)O)C(=O)O	AA6	3-[4,5-dihydroxy-2-2-(2-hydroxyethylamino)-phenyl]-2-methylamino-propionic acid
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCNc4c5ccccc5nc6c4CCCC6	AA7	n,n'-di-1,2,3,4-tetrahydroacridin-9-ylheptane-1,7-diamine
+C[C@H](C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C(/C)\C=C\[C@@H](CCCC(=O)O)O	AA8	anguinomycin a, bound form
+CCNc1cc(cc(c1)N(c2ccccc2)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O	AA9	n-((1s,2r)-3-(((1s)-2-(cyclohexylamino)-1--methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide
+Cc1ccc(c(c1)N[C@@H](c2c(cccc2Br)Br)C(=O)N)C(=O)C	AAA	(2-acetyl-5-methylanilino)(2,6-dibromophenyl)acetamide
+C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O	AAB	2'-deoxy-ribofuranose-5'-monophosphate
+CC(=O)NCC(=O)O	AAC	acetylamino-acetic acid
+C[S@@+](CCON)C[C@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	AAD	(2-aminooxy-ethyl)-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-methyl-sulfonium
+CC(=O)CC(=O)O	AAE	acetoacetic acid
+COC(=O)c1ccc(cc1)NC(=O)NC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN	AAF	methyl 4-{[({[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O	AAG	n-alpha-l-acetyl-arginine
+c1cc(ccc1C[N@@](CCCCC(=O)O)CP(=O)(O)O)[N+](=O)[O-]	AAH	1-[n-4'-nitrobenzyl-n-4'-carboxybutylamino]methylphosphonic acid
+CCCN1CCC(CC1)c2[nH]c3c(cccc3n2)C(=O)N	AAI	trans-4-(7-carbamoyl-1h-benzimidazol-2-yl)-1-propylpiperidinium
+CCC(=O)N1CCN(c2c1cccc2)C(=O)OC(C)(C)C	AAK	~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
+C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O	AAL	3,6-anhydro-alpha-l-galactopyranose
+c1nc(c2c(n1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	AAM	alpha-adenosine monophosphate
+c1cc(ccc1CC(=O)O)[N+](=O)[O-]	AAN	2-(4-nitrophenyl)acetic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO	AAO	acarbose derived hexasaccharide
+Cc1ccc(c(c1)N[C@@H](c2c(cccc2Cl)Cl)C(=O)N)C(=O)C	AAP	alpha-(2,6-dichlorophenyl)-alpha-(2-acetyl-5-methylanilino)acetamide
+CNc1[nH]c2cc3c(c(c2n1)CCNCc4ccccc4)N=C(NC3=O)N	AAQ	6-amino-4-[2-(benzylamino)ethyl]-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C(C[C@@H](C(=O)N)N)CNC(=[NH2+])N	AAR	arginineamide
+CC(=O)O[Hg]c1cc(ccc1N)S(=O)(=O)N	AAS	3-actoxymercuri-4-aminobenzenesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC(=CCN)CCCCCN)O)O)N	AAT	s-adenosyl-1,8-diamino-3-thiooctane
+COc1cc(ccc1O)CN2[C@@H]([C@@H](CN(N(C2=O)Cc3ccc(c(c3)OC)O)C(=O)CCc4ccc(cc4)O)O)Cc5ccccc5	AAU	(5r,6r)-5-benzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1-[3-(4-hydroxyphenyl)propanoyl]-1,2,4-triazepan-3-one
+Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)Nc5ccon5	AAV	n-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide
+COc1ccc(cc1Nc2ncc(o2)c3cccc(c3)c4cccnc4)S(=O)(=O)NCC5CC5	AAX	n-(cyclopropylmethyl)-4-(methyloxy)-3-({5-[3-(3-pyridinyl)phenyl]-1,3-oxazol-2-yl}amino)benzenesulfonamide
+CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H]3C[C@H](CC(=O)N3Cc4ccc5c(c4)ccc(c5CO)OC)O)C	AAY	8-[2-((2s)-4-hydroxy-1-{[5-(hydroxymethyl)-6-methoxy-2-naphthyl]methyl}-6-oxopiperidin-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate
+CCS(=O)(=O)c1ccc(c(c1)Nc2ncc(o2)c3cccc(c3)c4ccccn4)OC	AAZ	n-[5-(ethylsulfonyl)-2-methoxyphenyl]-5-[3-(2-pyridinyl)phenyl]-1,3-oxazol-2-amine
+COCO[C@H]1C[C@@H]2[C@H]([C@@H]([C@@H]3[C@@H](O2)CC=CCO3)O)O[C@@H]1CC(=O)O	AB0	3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-o-(methoxymethyl)-l-arabino-l-allo-tetradec-12-enonic acid
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C	AB1	n-{1-benzyl-4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-5-phenyl-pentyl}-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)n2cc(nn2)COC(=O)N[C@@H]3c4ccccc4C[C@H]3O)O)S(=O)(=O)c5ccc(cc5)OC	AB2	[1-((1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1h-1,2,3-triazol-4-yl]methyl (1r,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-ylcarbamate
+CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N	AB3	3-(4-amino-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)phenol
+c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cc(ccc4Cl)Cl)O	AB4	2,5-dichloro-n-[4-hydroxy-3-(2-hydroxy-1-naphthyl)phenyl]benzenesulfonamide
+[B-](CCCC[C@@H](C(=O)O)[NH3+])(O)(O)O	AB5	2(s)-amino-6-boronohexanoic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@@H](CCN)O)OCCNCCCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)N	AB6	(2r)-4-amino-n-((1r,2s,3r,4r,5s)-5-amino-4-[(2-amino-2-deoxy-alpha-d-glucopyranosyl)oxy]-2-{2-[(3-aminopropyl)amino]ethoxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide
+CC[C@@H](C(=O)O)N	AB7	alpha-aminobutyric acid
+CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@@H](N(C(=O)O3)Cc4ccc(c(c4)OC)O)CC(=O)NC)C	AB8	(1s,3r,8as)-8-(2-{(4s,6s)-3-(4-hydroxy-3-methoxybenzyl)-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl}ethyl)-3 ,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2r)-2-methylbutanoate
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@@H](CCN)O)OCCNCCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)N	AB9	(2r)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide
+CC[C@@H](C(=O)O)N	ABA	alpha-aminobutyric acid
+CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)O	ABB	(2s,4r)-1-acetyl-n-[(1s)-4-[(aminoiminomethyl)amino]-1-(2-benzothiazolylcarbonyl)butyl]-4-hydroxy-2-pyrrolidinecarboxamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)C)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)O)O)O)O)CO	ABC	modified acarbose hexasaccharide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O	ABD	acarbose derived hexasaccharide
+C[C@@H]1[C@@H](C[C@H]([C@H](O1)O)O)O	ABE	alpha-d-abequopyranose
+C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O	ABF	5-o-phosphono-beta-d-arabinofuranose
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N	ABG	adenosine 5'-[beta,gamma-methylene]triphosphate
+[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O	ABH	2(s)-amino-6-boronohexanoic acid
+c1cc2c(cc1C(=[NH2+])N)[nH]cn2	ABI	5-amidino-benzimidazole
+CC(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N	ABJ	3-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]phenol
+C([C@@H](C(=O)C(=O)O)N)C(F)F	ABK	3-amino-5,5-di-fluoro-2-keto-pentan-1-oic acid
+C([C@@H]1[C@H]([C@@H]([C@H](C(=O)N1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	ABL	(2r,3r,4r,5r)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-d-glucopyranoside
+C[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	ABM	methyl phosphonic acid adenosine ester
+c1ccc(cc1)CN	ABN	benzylamine
+COc1cc(ccc1O)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4	ABO	4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-2-methoxyphenol
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N	ABP	8-bromoadenosine-5'-diphosphate
+CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)N[C@@H]4COC[C@@H]4c5ccc(cc5)F	ABQ	[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[(3s,4r)-4-(4-fluorophenyl)tetrahydrofuran-3-yl]amino}pyrazin-2-yl)methanone
+c1ccc(cc1)[C@H](CNc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O	ABR	(r)-(n-phenyl-2-hydroxy-ethyl)-2'-deoxy-adenosine-5'-monophosphate
+c1ccc(cc1)[C@@H](CNc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O	ABS	(s)-(n-phenyl-2-hydroxy-ethyl)-2'-deoxy-adenosine-5'-monophosphate
+B=P(O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])O[P@](=O)(O)OP(=O)(O)O	ABT	3'-azido-3'-deoxy-thymidine-5'-alpha borano triphosphate
+C(CC(=O)O)CN	ABU	gamma-amino-butanoic acid
+c1ccc2c(c1)nc(s2)N	ABV	1,3-benzothiazol-2-amine
+CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](O1)C(=O)O)C(=O)OC)NC(=O)C	ABW	5-[1-(acetylamino)-3-methylbutyl]-2,5-anhydro-3,4-dideoxy-4-(methoxycarbonyl)pentonic acid
+CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)O)C(=O)OC)NC(=O)C	ABX	5-[1-(acetylamino)-3-methylbutyl]-4-(methoxycarbonyl)proline
+COc1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CCCN	ABY	n-(4-aminobutanoyl)-s-(4-methoxybenzyl)-l-cysteinylglycine
+c1cc(ccc1C#N)Nc2nc(nc(n2)N)Cc3c4cc[nH]c4ccc3Cl	ABZ	4-[4-amino-6-(5-chloro-1h-indol-4-ylmethyl)-[1,3,5]triazin-2-ylamino]-benzonitrile
+CC(=O)c1ccccc1	AC0	1-phenylethanone
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO	AC1	4,6-dideoxy-4-{[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-glucopyranose
+c1nc2c(n1COCCO)N=C(NC2=O)N	AC2	9-hyroxyethoxymethylguanine
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N	AC4	aminoimidazole 4-carboxamide ribonucleotide
+C1CCC(C1)(C(=O)O)N	AC5	1-aminocyclopentanecarboxylic acid
+CC(=O)c1ccc(cc1)O	AC6	p-hydroxyacetophenone
+COc1c(cc(cc1C(=O)OC)C(=CCCCC(=O)OC)c2cc(c(c(c2)C(=O)OC)OC)C#N)C#N	AC7	dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate)
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	AC8	[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-bis(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate
+CC1=CC(=O[Cr]23(O1)(OC(=CC(=O2)C)C)OC(=CC(=O3)C)C)C	AC9	trisacetylacetonatochromium(iii)
+C(CCC(=O)O)CCN	ACA	6-aminohexanoic acid
+C[C@@H]([C@H](C(=O)O)N)C(=O)O	ACB	3-methyl-beta-d-aspartic acid
+CSC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)[NH3+]	ACC	n-[n-[2-amino-6-oxo-hexanoic acid-6-yl]cysteinyl]-s-methylcysteine
+CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O	ACD	arachidonic acid
+CC=O	ACE	acetyl group
+c1cc(c(cc1C(=O)O)OC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN)Cl	ACF	3-{[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-4-chlorobenzoic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C)O)O)O)CO	ACG	modified acarbose pentasaccharide
+CC(=O)OCC[N+](C)(C)C	ACH	acetylcholine
+C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO	ACI	6-amino-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol
+c1cc(c(cc1C(F)(F)F)Cl)Oc2ccc(c(c2)C(=O)O)[N+](=O)[O-]	ACJ	5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N	ACK	2',3'- cyclic amp
+C(C[C@@H](C(=O)CCl)N)CNC(=N)N	ACL	deoxy-chloromethyl-arginine
+CC(=O)N	ACM	acetamide
+CC(=O)C	ACN	acetone
+CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	ACO	acetyl coenzyme *a
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N	ACP	phosphomethylphosphonic acid adenylate ester
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N	ACQ	diphosphomethylphosphonic acid adenylate ester
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO	ACR	alpha-acarbose
+C[S@](=O)C[C@H](C(=O)O)N1[C@@H]([C@@H](C1=O)NC(=O)CCC[C@@H](C(=O)O)N)S	ACS	1-[(1s)-carboxy-2-(methylsulfinyl)ethyl]-(3r)-[(5s)-5-amino-5-carboxypentanamido]-(4r)-sulfanylazetidin-2-one
+CC(=O)[O-]	ACT	acetate ion
+CC=O	ACU	acetaldehyde
+CC(C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	ACV	l-d-(a-aminoadipoyl)-l-cysteinyl-d-valine
+CC1(CC1)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	ACW	d-(l-a-aminoadipoyl)-l-cysteinyl-b-methyl-d-cyclopropylglycine
+C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O	ACX	alpha-cyclodextrin (cyclohexa-amylose)
+CC(=O)O	ACY	acetic acid
+C1=CC(C=CC1CC[C@@H](C(=O)O)N)N	ACZ	cis-amiclenomycin
+CN1C[C@H](C2=CC(=O)C(=O)C=C21)O	AD1	(3s)-3-hydroxy-1-methyl-2,3-dihydro-1h-indole-5,6-dione
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N	AD2	2'-deoxy-adenosine-3'-5'-diphosphate
+c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	AD3	3-deaza-adenosine
+CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)([C@](C(=O)O3)(C)O)O	AD4	(3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl 12-[(tert-butoxycarbonyl)amino]dodecanoate
+c1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)nc[nH]3)N5CCOCC5	AD5	n~6~-cyclohexyl-n~2~-(4-morpholin-4-ylphenyl)-9h-purine-2,6-diamine
+CNC(=O)c1ccc(cc1)Nc2ncc(s2)Br	AD6	4-[(5-bromo-1,3-thiazol-2-yl)amino]-n-methylbenzamide
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)O	AD7	octyl 3-amino-3-deoxy-2-o-(2,6-dideoxy-alpha-l-lyxo-hexopyranosyl)-beta-d-galactopyranoside
+c1cn(cn1)CC(=O)C23CC4CC(C2)CC(C4)C3	AD8	1-(adamantan-1-yl)-2-(1h-imidazol-1-yl)ethanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)O)O)O)N	AD9	adp metavanadate
+[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O	ADA	alpha-d-galactopyranuronic acid
+c1cc(c(c(c1)Cl)Oc2nc(nc(n2)Nc3ccc(cc3)C#N)N)Cl	ADB	4-[4-amino-6-(2,6-dichloro-phenoxy)-[1,3,5]triazin-2-ylamino]-benzonitrile
+c1nc(c2c(n1)n(cn2)[C@@H]3C=CC([C@H]3O)O)N	ADC	(1'r,2's)-9-(2-hydroxy-3'-keto-cyclopenten-1-yl)adenine
+CC(CC[C@@H]([C@H](C)C(=O)O)N)C[C@H](C)[C@H](Cc1ccccc1)OC	ADD	2,6,8-trimethyl-3-amino-9-benzyl-9-methoxynonanoic acid
+c1[nH]c2c(n1)c(ncn2)N	ADE	adenine
+CC(C)(C)c1cc(ccc1OC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN)C(=O)O	ADF	4-{[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O	ADG	o-3-amino-3-deoxy-alpha-d-glucopyranose
+C1[C@@H]([C@H]([C@H](C=C1CO)N)O)O	ADH	1-amino-2,3-dihydroxy-5-hydroxymethyl cyclohex-5-ene
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N	ADI	2',3'-dideoxyadenosine-5'-diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(C4=CCCN(C4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O)O)O)N	ADJ	nicotinamide-adenine-dinucleotide-adenylate intermediate
+Cn1cnc(c-2ncnc12)N	ADK	3-methyl-3h-purin-6-ylamine
+c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2	ADL	(1,8-dihydroxy-9-oxo-9,10-dihydro-anthracen-2-yl)-acetic acid
+C1C2CC3CC1CC(C2)C3	ADM	adamantane
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	ADN	adenosine
+C1C2CC3CC1CC(C2)C3=O	ADO	adamantanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N	ADP	adenosine-5'-diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N	ADQ	adenosine-5'-diphosphate-glucose
+C1[C@H](CO[C@@H]([C@H]1O)CN)N	ADR	2,6-diamino-2,3,6-trideoxy-alpha-d-ribo-hexopyranosyl
+c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COP(=O)(S)S)O)O)N	ADS	adenosine-5'-(dithio)phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)C	ADT	3'-deoxy-3'-acetamido-thymidine
+CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)CO	ADU	3'-deoxy-3'-acetamido-uridine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)O)N	ADV	alpha-beta methylene adp-ribose
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[W@@](=O)(O)O[W](=O)(O)O)O)O)N	ADW	adenosine-5'-ditungstate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N	ADX	adenosine-5'-phosphosulfate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)[C@H](O3)CO)O)N	ADY	3'-oxo-adenosine
+Cn1cnc2c1ncnc2N	ADZ	9-methyl-9h-purin-6-amine
+CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)CC(=O)OCC)C(C)C	AE0	ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate
+CC(C)C[C@H](C[P@@](=O)([C@H](CC(=O)O)N)O)C(=O)O	AE1	2-{[[(1s)-1-amino-2-carboxyethyl](dihydroxy)phosphoranyl]methyl}-4-methylpentanoic acid
+C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O	AE2	aetiocholanolone
+CCOCCOCCO	AE3	2-(2-ethoxyethoxy)ethanol
+CCOCCOCCOCCOCCOCCO	AE4	3,6,9,12,15-pentaoxaheptadecan-1-ol
+C(CC(=O)O)[C@@H](C(=O)O)NC[C@@H](C(=O)O)N	AE5	n-[(2s)-2-amino-2-carboxyethyl]-l-glutamic acid
+Cc1c2ccccc2oc1C3CN(C3)C(=O)/C=C/c4cc5c(nc4)NC(=O)C=C5	AE6	6-{(1e)-3-[3-(3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-en-1-yl}-1,8-naphthyridin-2(1h)-one
+Cc1c(c(n(n1)C2=Sc3ccccc3N2)O)[C@H]4c5ccccc5C(=O)O4	AE7	(3r)-3-[1-(3h-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1h-pyrazol-4-yl]-2-benzofuran-1(3h)-one
+c1c(ncc2c1OCCO2)CNC3CCN(CC3)C[C@@]4(CN5c6c4c(cnc6C=CC5=O)F)O	AE8	(s)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4h-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5h)-one
+C(CO)N=[N+]=[N-]	AE9	2-azidoethanol
+C([C@H](C(=O)N)N)SCC(=O)O	AEA	(2-amino-2-carbamoyl-ethylsulfanyl)-acetic acid
+c1cc(c(cc1CCN)C2CCCCC2)O	AED	4-(2-aminoethyl)-2-cyclohexylphenol
+CCN1CCN(CC1)Cc2ccc(cc2)c3cc4c([nH]3)ncnc4N[C@H](C)c5ccccc5	AEE	6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-n-[(1r)-1-phenylethyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1cc(ccc1CCN)O	AEF	4-(2-aminoethyl)phenol
+C[C@H](Cc1ccc(cc1)O)N	AEG	4-[(2r)-2-aminopropyl]phenol
+CCc1cc(ccc1O)CCN	AEH	4-(2-aminoethyl)-2-ethylphenol
+C[C@H]([C@@H](C(=O)O)N)OC(=O)C[C@@H](C(=O)O)N	AEI	threonine-aspartic ester
+c1ccc(cc1)[N@@]2CCc3cc(ccc3[C@H]2c4ccc(cc4)[N@]5CC[N@@]6CCCC[C@H]6C5)O	AEJ	(1s)-1-{4-[(9ar)-octahydro-2h-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
+CNc1[nH]c2c(n1)cc3c(c2CCNCC4CCCC4)N=CNC3=O	AEK	4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+Cc1ccc2c(c1)nc(n2c3ccncc3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O	AEL	2-{2-[5-methyl-1-(pyridin-4-yl)-1h-benzimidazol-2-yl]ethyl}-1h-benzo[de]isoquinoline-1,3(2h)-dione
+[H]/N=C/CN	AEM	2-aminoethanimidic acid
+CC(=O)NCCNc1cccc2c1cccc2S(=O)(=O)O	AEN	5-(1-sulfonaphthyl)-acetylamino-ethylamine
+c1ccc(cc1)N2C(=NNC2=S)CCN3C(=O)c4cccc5c4c(ccc5)C3=O	AEO	2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1h-1,2,4-triazol-3-yl)ethyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione
+C[C@H](C[P@](=O)([C@H](CC(=O)O)N)O)C(=O)O	AEP	3-[(1-amino-2-carboxy-ethyl)-hydroxy-phosphinoyl]-2-methyl-propionic acid
+CCC(=O)N1CCCc2c1ccc(c2)C(=O)OC	AEQ	methyl 1-propanoyl-3,4-dihydro-2~{h}-quinoline-6-carboxylate
+C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O	AER	abiraterone
+c1cc(ccc1CCN)S(=O)(=O)F	AES	4-(2-aminoethyl)benzenesulfonyl fluoride
+C[C@H]([C@@H](C(=O)O)NC(=O)N(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O	AET	n-[n-(9-b-d-ribofuranosylpurin-6-yl)methylcarbamoyl]threonine-5'-monophosphate
+c1ccc(cc1)Oc2cccc(c2)CNc3cc4c5ccccc5[nH]c4cn3	AEU	n-[(3-phenoxyphenyl)methyl]-9h-beta-carbolin-3-amine
+CC1=C(C(=O)N(N1)c2[nH]c3ccc(c(c3n2)Cl)Cl)[C@H]4c5ccccc5C(=O)O4	AEV	2-(4,5-dichloro-1h-benzimidazol-2-yl)-5-methyl-4-[(1r)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3h-pyrazol-3-one
+CCCCCCC1=CC(=O)N(C=C1)Cc2cccc(c2C)N	AEW	1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1h)-one
+CCCCNc1cc2c3ccccc3[nH]c2cn1	AEX	n-butyl-9h-beta-carbolin-3-amine
+c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3	AEY	7-(benzyloxy)-1h-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
+c1[nH]c2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	AEZ	(4~{s},5~{s},6~{r},7~{r})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{h}-benzimidazole-4,5,6-triol
+c1ccc-2c(c1)Cc3c2ccc(c3)N	AF	2-aminofluorene
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3c(c(c(c(c3F)F)C)F)F	AF0	n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide
+CC1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N[C@H]2C=C(C([C@@H]([C@H]2O)O)O)CO	AF1	4,6-dideoxy-4-{[(1s,4s,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-d-glucopyranose
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N	AF2	2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)
+F[Al](F)F	AF3	aluminum fluoride
+CC(C)NC(c1ccc(cc1)c2cc(oc2)c3ccc(cc3)C(N)NC(C)C)N	AF4	2,4-bis{[4-(n-isoporpyl)diaminomethyl]phenyl}furan
+c1c2c(c3c(c1F)N4CC[C@H]([C@H]4CC=C3)N)N(C=C(C2=O)C(=O)O)C5CC5	AF5	(7ar,8r)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1h-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid
+c1ccc(cc1)CNc2cc3c4ccccc4[nH]c3cn2	AF6	n-benzyl-9h-beta-carbolin-3-amine
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C	AF7	(3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4	AF8	3-hydroxy-n-{(2s,3r)-3-hydroxy-4-[(2-methylpropyl){[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino]-1-phenylbutan-2-yl}benzamide
+CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)S(=O)(=O)N)OC	AF9	5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide
+CC(C)C\C=C\C=C/C(=O)N[C@@H](CC(=O)N)C(=O)O	AFA	n-[7-methyl-oct-2,4-dienoyl]asparagine
+C[C@H]1CCC\C=C\[C@@H]2C[C@@H](C[C@H]2[C@@H](\C=C\C(=O)O1)O)O	AFB	1,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-4h-cyclopent[f]oxacyclotridecin-4-one
+CC[C@@H](C)CCCCCCCC[C@H](CC(=O)O)N	AFC	(3r,12r)-3-amino-12-methyltetradecanoic acid
+C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O	AFD	alpha-d-allopyranose
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)O)O	AFE	5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside
+CC(=O)Nc1ccc-2c(c1)Cc3c2cccc3	AFF	2-acetylaminofluorene-3-yl
+c1ccc-2c(c1)Cc3c2ccc(c3)Nc4nc5c(n4C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N	AFG	n-(5'-phospho-2'-deoxyguanosin-8-yl)-2-aminofluorene
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)F)O)O)N	AFH	adenosine-5'-diphosphate-2-deoxy-2-fluoro heptose
+c1ccc2c(c1)C(=C(C(=C3CCC(CC3)c4ccc(cc4)Cl)C2=O)O)O	AFI	2-[4-(4-chlorophenyl)cyclohexylidene]-3,4-dihydroxy-1(2h)-naphthalenone
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C)O	AFJ	(2r,4s,5s)-n-butyl-4-hydroxy-2,7-dimethyl-5-{[n-(4-methylpentanoyl)-l-methionyl]amino}octanamide
+Cc1ccc(c(c1)c2ccc(cc2Cl)CN)OC	AFK	[3-chloranyl-4-(2-methoxy-5-methyl-phenyl)phenyl]methanamine
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O	AFL	alpha-l-fucose
+c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)cn[nH]4)C(=O)NCc5cc[nH]n5)F	AFM	2-fluoro-5-[(3s,4r)-3-{[(1h-indazol-5-yl)oxy]methyl}piperidin-4-yl]-n-[(1h-pyrazol-3-yl)methyl]benzamide
+COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H](CO[C@@H]5O2)O	AFN	8,9-dihydro-9-hydroxy-aflatoxin b1
+CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O	AFO	octyl alpha-d-arabinofuranoside
+C([C@@H]1[C@H]([C@@H]([C@@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O	AFP	1,6-di-o-phosphono-alpha-d-fructofuranose
+CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCC4)N=C(NC3=O)N	AFQ	6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C1C(=O)[C@H]([C@@H]([C@](O1)(CO)F)O)O	AFR	alpha-d-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride
+C[C@@H](C(=O)N[C@@H](C)P(=O)(O)O)N	AFS	n-[(1r)-1-phosphonoethyl]-l-alaninamide
+COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5C=CO[C@@H]5O2	AFT	aflatoxin b1
+c1cc(cc(c1)N2CCNCC2)c3cc(c(nc3)N)C(=O)Nc4ccncc4	AFU	2-amino-5-[3-(piperazin-1-yl)phenyl]-n-(pyridin-4-yl)pyridine-3-carboxamide
+c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)cn[nH]5	AFV	2-fluoro-5-[(3s,4r)-3-{[(1h-indazol-5-yl)oxy]methyl}piperidin-4-yl]-n-[(pyridin-2-yl)methyl]benzamide
+COc1ccc(cc1c2ccc(cc2Cl)CN)C(F)(F)F	AFW	[3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)C(=C3F)CO)O)N	AFX	(4s,5s)-4-(6-amino-9h-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC1(COC1)CC(=O)O)O	AFY	(3-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid
+[H]/N=C(\c1ccc(cc1)c2cc(oc2)c3ccc(cc3)/C(=N\[H])/N)/N	AFZ	2,4-bis(4-amidinophenyl)furan
+[Ag+]	AG	silver ion
+CCc1cc(cc(n1)CC)CC[C@@]2(CC(=C(C(=O)O2)Cc3nc4nc(cc(n4n3)C)C)O)C5CCCC5	AG0	(6r)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2h-pyran-2-one
+C[C@@H](C(=O)O)NC(=O)C1(C=CC=C1)[Ru@@]2(n3c4ccc(cc4c5c3c6[n+]2cc(cc6c7c5C(=O)NC7=O)F)O)C#[O+]	AG1	ruthenium pyridocarbazole
+C(CCNC(=N)N)CN	AG2	agmatine
+[H]/N=C(/N)\NCCCCNCCCN	AG3	1-{4-[(3-aminopropyl)amino]butyl}guanidine
+COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N	AG4	n-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
+c1ccc(cc1)CCNC(=O)c2cc(cnc2Sc3ccccc3)S(=O)(=O)N	AG5	n-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
+CCC[C@@H](C=CC(=O)c1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)OCc3ccccc3	AG6	n-[(benzyloxy)carbonyl]-l-alpha-glutamyl-n-[(1s)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-l-phenylalaninamide
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C	AG7	4-{2-(4-fluoro-benzyl)-6-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-(2-oxo-pyrrolidin-3-yl)-pentanoic acid ethyl ester
+C/C(=C\CC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)/CCCN(C)C	AG8	s-[(2e,6e,10e)-14-(dimethylamino)-3,7,11-trimethyltetradeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate
+C1=CN(C(=NC1N)NCCCCNC(N)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	AG9	agmatidine
+CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[C@H](CO)O	AGA	(1s)-2-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(pentanoyloxy)methyl]ethyl octanoate
+[H]/N=C(/N)\Nc1ccc(cc1)CNC(=O)NC23CC4CC(C2)CC(C4)C3	AGB	n-(1-adamantyl)-n'-(4-guanidinobenzyl)urea
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	AGC	alpha-d-glucose
+c1nc2c(n1C[C@H](C(=O)O)N)N=C(NC2=O)N	AGD	3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-d-alanine
+Cn1cc(cc1\C=C\C(=O)NO)C(=O)Cc2ccccc2	AGE	(2e)-n-hydroxy-3-[1-methyl-4-(phenylacetyl)-1h-pyrrol-2-yl]prop-2-enamide
+C[C@@H](C(=O)NC[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2	AGF	o-(((1r)-((n-(phenyl-methoxy-carbonyl)-alanyl)-amino)methyl)hydroxyphosphinyl)3-l-phenyllactate
+CCCCS(=O)(=O)N[C@@H](Cc1ccc(cc1)OCCCCC2CCNCC2)C(=O)O	AGG	tirofiban
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	AGH	n-{(1s,2r,3s)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}hexacosanamide
+c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O	AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one
+c1ccc(cc1)CC(=O)N(CCO)Cc2ccc(cc2)C(=O)NO	AGJ	n-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide
+C1[C@H]([C@H]([C@H](NN1)CO)O)O	AGK	(3r,4s,5r)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N	AGL	4-amino-4,6-dideoxy-alpha-d-glucopyranose
+C[C@@H](CC[C@@H](C(=O)O)N)NC(=[NH2+])N	AGM	5-methyl-arginine
+CNc1ccccc1C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)n3cnc4c3N=C(NC4=O)N	AGN	phosphoaminophosphonic acid 3'-o-(n-methylanthraniloyl-2'-deoxyguanylate ester
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H](C2=O)n3cnc4c3N=C(NC4=O)N)CO[P@@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O	AGO	2-amino-9-(5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-o-{[2-(methylamino)phenyl]carbonyl}-beta-d-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6h-purin-6-one
+C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O	AGP	2-deoxy-2-amino glucitol-6-phosphate
+[H]/N=C(\N)/N/N=C/1\C=C(C(=O)C=C1O)C[C@@H](C(=O)O)N	AGQ	3-[(3e)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine
+C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)CO)O)O	AGR	[(2r,3s,4s,5s)-2,5-bis(hydroxymethyl)-5-[(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidany  l-oxolan-3-yl] [(2r,3r,4s,5s)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N	AGS	phosphothiophosphoric acid-adenylate ester
+C(CCN[C@H](N)SC[C@@H](C(=O)O)N)CN	AGT	s-{(s)-amino[(4-aminobutyl)amino]methyl}-l-cysteine
+C(=N)(N)NN	AGU	aminoguanidine
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@@H]([C@H]3CO)O)O	AGV	(2r,3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
+c1ccc(cc1)C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)CO)OP(=O)(O)O[C@@H]4[C@H]([C@H](CO[C@H]4O)O)O	AGW	[(2s,3s,4r,5r)-2,5-bis(hydroxymethyl)-2-[(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[oxidanyl-[(2r,3r,4s,5s)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-phosphoryl]oxy-oxolan-3-yl] benzoate
+C[C@@H](c1[nH]c2ccccc2n1)OC(=O)Nc3ccc(c(c3)Cl)Cl	AGX	(1s)-1-(1h-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate
+CC(C)(C)c1ccc(cc1[N+](=O)[O-])C(=O)NNC(=O)Nc2cccc3c2cccc3	AGY	2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-n-naphthalen-1-ylhydrazinecarboxamide
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C	AH0	2-(2-acetylamino-4-hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yloxy)-propionic acid
+c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5	AH1	aha001
+C1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	AH2	1-deoxy-alpha-d-mannopyranose
+CCOc1cc2c(cc1OC)CCN(C2)C=O	AH3	7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+c1ccc(cc1)N(c2ccccc2)c3ncc(cn3)C(=O)NCCCCCCC(=O)NO	AH4	2-(diphenylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
+CCOc1cc2c(cc1OC)CN(CC2)C=O	AH6	6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+c1ccc(cc1)C2(CCC(CC2)(F)F)Nc3ncc(cn3)C(=O)NO	AH7	2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-n-hydroxypyrimidine-5-carboxamide
+C([C@H]1[C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])O)O)O	AH8	(2r,3r,4r,5s)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol
+COc1cc2c(cc1OC)CN(CC2)C=O	AH9	6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+C(CCC(=O)O)CCN	AHA	6-amino hexanoic acid
+[C@H]([C@@H](C(=O)N)O)(C(=O)O)N	AHB	beta-hydroxyasparagine
+c1cc(ccc1CCC(=O)O)N	AHC	4-aminohydrocinnamic acid
+C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN	AHD	4-amino-1-hydroxybutane-1,1-diyldiphosphonate
+C(CC(=O)N[C@@H](CSCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	AHE	2-amino-4-[1-carboxymethyl-carbamoyl)-2-hydroxymethylsulfanyl-ethylcarbamoyl]-butyric acid
+COC(c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccc(cc3)CO)COc4ccccc4)O)O)COc5ccccc5)O	AHF	2-[4-(hydroxy-methoxy-methyl)-benzyl]-7-(4-hydroxymethyl-benzyl)-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda6-[1,2,7]thiadiazepane-4,5-diol
+C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O	AHG	2,5-anhydro-1,6-di-o-phosphono-d-glucitol
+CCCC[C@H]([C@@H](C(=O)O)O)N	AHH	amino-hydroxyheptanoic acid
+C(C[NH3+])CN/C(=N/O)/N	AHI	3-{[(e)-amino(hydroxyimino)methyl]amino}propan-1-aminium
+CCc1ccccc1c2ccc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3	AHK	2-(1~{h}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium
+[H]/N=C(\N)/NCCC[C@@H](C(=O)NO)N	AHL	n-hydroxy-l-argininamide
+C([C@@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O	AHM	2,5-anhydro-1,6-di-o-phosphono-d-mannitol
+CC(=O)NCCc1c[nH]cn1	AHN	n-[2-(1h-imidazol-4-yl)ethyl]acetamide
+CC(=O)N(CCC[C@@H](C(=O)O)N)O	AHO	n-acetyl-n-hydroxy-l-ornithine
+CCCCC[C@@H](C(=O)O)N	AHP	2-amino-heptanoic acid
+C1c2c(c3c(c(c2O)O)N[C@H](C[C@H]3C(=O)O)C(=O)O)N[C@@H]1C(=O)O	AHQ	(2s,7r,9r)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1h-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
+C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O	AHR	alpha-l-arabinofuranose
+CC(C)CN(C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O	AHS	(3-amino-4-cyclohexyl-2-hydroxy-butyl)-isobutyl-carbamic acid
+c1cc(ccc1C[C@@H](CCC(N)O)N)O	AHT	4-(2,5-diamino-5-hydroxy-pentyl)-phenol
+C1[C@@H](CO[C@@H]([C@H]1O)CO)N2C=C(C(=O)NC2=O)I	AHU	1',5'-anhydro-2',3'-dideoxy-2'-(5-iodouracil-1-yl)-d-ababino-hexitol
+CCc1ccc2ccc(cc2c1)OC	AHW	2-ethyl-7-methoxy-naphthalene
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)ONC(=O)[C@H](CO)N)O)O)N	AHX	seryl-hydroxamate-adenosine monophosphate
+CCCCCCC[C@H]([C@@H](C(=O)O)O)N	AHY	(2s,3r)-3-amino-2-hydroxydecanoic acid
+Cc1c(sc(n1)C(=O)[O-])CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	AHZ	adenosine diphosphate 5-(beta-ethyl)-4-methyl-thiazole-2-carboxylic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4	AI	(2s,2's)-n,n'-[(2s,3s,4s,5s)-1-cyclohexyl-3,4-dihydroxy-6-phenylhexane-2,5-diyl]bis[3-methyl-2-({[methyl(pyridin-2-ylmethyl)amino]carbonyl}amino)butanamide]
+c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	AI1	n-benzyl-3-(alpha-d-galactos-1-yl)-benzamide
+[B-]1(O[C@@]2([C@](O1)([C@H](CO2)O)O)C)(O)O	AI2	3a-methyl-5,6-dihydro-furo[2,3-d][1,3,2]dioxaborole-2,2,6,6a-tetraol
+COc1cc2c[nH+]c-3c(c2cc1OC)Cc4c3cc5c(c4)OCO5	AI3	2,3-dimethoxy-12h-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCN(CC[C@@H](C(=O)O)N)CCO[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=NC5=O)N)COP(O)O)O)O)O)N	AI5	(2~{s})-4-[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[2-[(2~{r},3~{r},4~{r},5~{r})-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-[bis(oxidanyl)phosphanyloxymethyl]-4-oxidanyl-oxolan-3-yl]oxyethyl]amino]-2-azanyl-butanoic acid
+CCCCCCCOc1cccc(c1)C(=O)O	AI7	3-(heptyloxy)benzoic acid
+CCON=C(c1nc(sn1)N)C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)Sc3nc(cs3)c4cc[n+](cc4)C)C(=O)O	AI8	ceftaroline, bound form
+C([C@H]([C@H]([C@H](/C=N/C1=C(C(=O)NC(=O)N1)N)O)O)O)OP(=O)(O)O	AI9	[(2r,3s,4s,5e)-5-[[5-azanyl-2,4-bis(oxidanylidene)-1h-pyrimidin-6-yl]imino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+C#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN	AIA	(1s)-2-[(2s,5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
+CC(C)(C(=O)O)N	AIB	alpha-aminoisobutyric acid
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C	AIC	(2s,5r,6r)-6-{[(2r)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+C([C@H]([C@H]([C@@H](\C=N\C1=C(C(=O)NC(=O)N1)N)O)O)O)OP(=O)(O)O	AIF	[(2r,3s,4r,5e)-5-[(5-amino-2,6-dioxo-3h-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
+CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O	AIG	hexyl 3-amino-3-deoxy-beta-d-galactopyranoside
+C[C@H]1CN(C[C@@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O	AIH	(2s,3r)-2-(4-{2-[(3r,4r)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6- ol
+C[C@@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5	AIJ	(2s,3r)-3-(4-hydroxyphenyl)-2-(4-{[(2s)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
+CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC=O)C(=O)NCCCN(C)C	AIK	n-[3-(dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-5-isopropyl-1,3-thiazole-4-carboxamide
+c1c(ncs1)C(=O)NC[C@H]2C[C@H](NC2)C(=O)N3CCSC3	AIL	n-{[(3s,5s)-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]methyl}-1,3-thiazole-4-carboxamide
+C1CC(=C2C=NC(=N2)N)CCC1N	AIM	4-(4-amino-cyclohexylidene)-4h-imidazol-2-ylamine
+CC(=O)Oc1ccccc1C(=O)O	AIN	2-(acetyloxy)benzoic acid
+B([C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)N)(O)O	AIO	[(2r)-1-(l-alanyl-l-isoleucyl)pyrrolidin-2-yl]boronic acid
+c1cnc([nH]1)SCc2cc(cc3c2N=C(NC3=O)N)N	AIQ	2,6-diamino-8-(1h-imidazol-2-ylsulfanylmethyl)-3h-quinazoline-4-one
+c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	AIR	5-aminoimidazole ribonucleotide
+c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N	AIS	5-aminoimidazole ribonucleoside
+C[C@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5	AIT	(2s,3r)-3-(4-hydroxyphenyl)-2-(4-{[(2r)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
+C[C@@H]1CN(C[C@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O	AIU	(2s,3r)-2-(4-{2-[(3s,4s)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
+c1cc[n+]2c(c1)C(=O)O[V+3]23(=O)([n+]4ccccc4C(=O)O3)O	AIV	hydroxy(oxo)bis(pyridine-2-carboxylato-kappa~2~n,o)vanadium(3+)
+c1ccc(cc1)C[SeH]	AIW	phenylmethaneselenol
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C	AIX	(2r,4s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CN(C)CCCC(=O)Nc1cc(cc(c1)C(=O)O)c2c3ccc(cc3[nH]n2)Nc4ccccc4Cl	AIZ	3-{6-[(2-chlorophenyl)amino]-1h-indazol-3-yl}-5-{[4-(dimethylamino)butanoyl]amino}benzoic acid
+CC(=O)Nc1ccc2c(c1)sc(n2)NC	AJ1	n-(2-methylamino)-1,3-benzothiazol-6-yl)acetamide
+Cc1cc(nc2c1cccc2)O	AJ2	4-methylquinolin-2-ol
+C=CC[S@@](=O)C/C=C/S	AJ3	3-(prop-2-ene-1-sulfinyl)-propene-1-thiol
+CC1=CC(=O)Nc2c1ccc(c2)c3ccccc3F	AJ4	7-(2-fluorophenyl)-4-methylquinolin-2(1h)-one
+CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCOC	AJ5	3-chloro-n-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
+CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)N	AJ6	7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1h)-one
+CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4	AJ7	3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide
+CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)O	AJ8	3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid
+CC1=C(C(=O)Oc2c1ccc(c2)OCC3CCN(CC3)Cc4ccccc4)C	AJ9	3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one
+CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)C(=O)O)(C)C)O	AJA	(6ar,10ar)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydro-6h-benzo[c]chromene-9-carboxylic acid
+Cc1csc(n1)NC(=O)c2cc(ccc2N)Sc3nncn3C	AJB	2-amino-n-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]benzamide
+c1cc(c(cc1Br)C(=O)O)N[C@@H]2CCCNC2	AJD	5-bromo-2-[(3r)-piperidin-3-ylamino]benzoic acid
+C1[C@@H]([C@H](CN1C(=O)CCC(=O)O)N)C(=O)O	AJE	(3s,4r)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid
+CC(=O)N=C1Nc2ccc(cc2S1)C#N	AJG	n-(6-cyano-3h-1,3-benzothiazol-2-ylidene)ethanamide
+c1cc(ccc1C(=O)N2CCCN(CC2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(=O)O	AJH	4-({4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid
+Cc1csc(n1)NC(=O)c2c(ccc(n2)Sc3nncn3C)Sc4ccc(cc4)F	AJI	3-[(4-fluorophenyl)sulfanyl]-n-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
+CN1CCC(CC1)c2nc(on2)c3ccc(cc3)O	AJJ	4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
+c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3ccc[nH]3	AJK	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{h}-pyrrol-2-yl)ethyl]azanium
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4	AJL	(1s)-1-[(1h-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+C[N@]1c2ccccc2[C@@]34[C@@H]1[C@@H]5C[C@H]6C[C@@H]([N@@]5[C@@H](C3)[C@H]6[C@H]4O)O	AJM	ajmaline
+C[C@H]1[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)OC	AJN	ajmalicine
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1	AJP	digitonin
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O[P@@](=O)(OP(=O)(O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)S)O)O	AJQ	[(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid
+CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO	AJR	2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9h-purin-2-yl]azanediyl}di(ethan-1-ol)
+c1cc2c(cc1C(=O)O)OCCOCCOCCOCCOCCO2	AJU	2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid
+C1=CC2=C(C(=O)N=C2C(=C1)F)NO	AJV	7-fluoro-3-(hydroxyamino)-2h-indol-2-one
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCCc3c[nH]c4c3cccc4	AJX	(1s)-1-[3-(1h-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+Cc1cc\2c(cc1Br)NC(=O)/C2=N\O	AJY	(3z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2h-indol-2-one
+c1cc(cc(c1)O)c2nc3ccsc3c(n2)N4CCOCC4	AJZ	3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3ccc(c4)F	AK0	(1s)-1-[2-(6-fluoro-1h-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3)C(F)(F)F	AK1	1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
+c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3	AK2	1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea
+Cn1c2c(cn1)ncnc2NCCc3cnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F	AK3	1-(5-{2-[(1-methyl-1h-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
+c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(cnn4CC(=O)O)ncn3	AK4	(7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1h-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid
+COc1ccc(cc1NC(=O)CCSc2c(c(ncn2)N)Br)C(=O)Nc3ccccc3	AK5	3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-n-phenylbenzamide
+COc1ccc(cc1NC(=O)CCSCc2cc3cc[nH]c3nc2)C(=O)Nc4ccccc4	AK6	4-methoxy-n-phenyl-3-({3-[(1h-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide
+c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c(c(ncn3)N)Br)C(F)(F)F	AK7	1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
+Cc1cc(ccc1Oc2c(cccn2)c3ccnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F	AK8	1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
+CC[C@@]1(Cc2cc3c(c(c2[C@H](C1)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)OC5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6CCC(=O)[C@H](O6)C)O)N(C)C)O)C(=O)c7c(cccc7O)C3=O)O	AKA	10-decarboxymethylaclacinomycin a (dcmaa)
+CC(=O)[C@@H](C(=O)O)N	AKB	2-amino-3-ketobutyric acid
+CCOCCOC(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@]2(C(=O)C(=CN2)[C@H]3c4ccccc4[C@@H]5[C@H]3OC(=O)N5)Cc6ccccc6)O	AKC	2-ethoxyethyl (1s,2s)-3-{(2s)-4-[(3as,8s,8ar)-2-oxo-3,3a,8,8a-tetrahydro-2h-indeno[1,2-d][1,3]oxazol-8-yl]-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl}-1-benzyl-2-hydroxypropylcarbamate
+c1cc(c(cc1Br)C(=O)[O-])N[C@H]2CCCNC2	AKD	5-bromo-2-[(3s)-piperidin-3-ylamino]benzoate
+c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)NCCNCCO)NCCNCCO	AKE	1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione
+C(CC(=O)O)C(=O)C(=O)O	AKG	2-oxoglutaric acid
+c1cc2ccoc2c(c1)C(=O)O	AKH	1-benzofuran-7-carboxylic acid
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCc5ccc(cc5)NC(=O)Nc6ccccc6	AKI	1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea
+CC(C)CC(=O)c1ccc(c(c1)O[C@H]2CCOC2)OC(F)F	AKJ	1-[4-(difluoromethoxy)-3-{[(3s)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one
+C/C=C\N	AKK	(1z)-prop-1-en-1-amine
+C([C@@H](C(=O)CCl)N)C(=O)O	AKL	3-amino-5-chloro-4-oxopentanoic acid
+C[C@@H]1C([C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N)(O)O	AKM	[(2r,4s,6r)-4-azanyl-4,6-dimethyl-5,5-bis(oxidanyl)oxan-2-yl] [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N	AKN	(2s)-n-[(1r,2s,3s,4r,5s)-4-[(2r,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2s,3r,4s,5s ,6r)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide
+Cc1ccc2c(c1)[nH]cc2CC[C@H]3c4cc(c(cc4CCN3C=O)OC)OC	AKO	(1s)-6,7-dimethoxy-1-[2-(6-methyl-1h-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC=C)C(C(=O)N[C@@H](Cc2ccc(cc2)OP(=O)(O)O)C(=O)O)(O)O)NC(=O)[C@H](CC(C)C)NC(=O)c3cnccn3	AKP	n-(pyrazin-2-ylcarbonyl)leucylisoleucyl-n~1~-{1-[2-({1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-enyl}-3-cyclohexylalaninamide
+C=CC(=O)O	AKR	acrylic acid
+CCCCCC(=O)NCCCCC#C	AKS	n-(hex-5-yn-1-yl)hexanamide
+CC[C@@]1(Cc2cc3c(c(c2[C@H](C1)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)N(C)C)O)C(=O)c5c(cccc5O)C3=O)O	AKT	10-decarboxymethylaclacinomycin t (dcmat)
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3cccc4	AKU	(1s)-1-[2-(1h-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+CCC(C[C@H](c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)CC(=O)OC)O)O	AKV	{3-[(1r,3s)-1,3-dihydroxypentyl]-4,5,9,10-tetrahydroxy-2-anthryl}acetate
+C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)OP(=O)(O)OP(=O)(O)SCC4[C@@H]([C@@H](C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O	AKW	[(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(3~{r},4~{s})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid
+C[C@H](CCCC(Cc1ccccc1)(Cc2ccccc2)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C5C[C@H](C(=C)[C@@H](C5)O)O)C	AKX	(1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@H](O5)C)O[C@@H]6C[C@H]([C@H]([C@H](O6)C)O[C@@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O	AKY	methyl (2s,4r)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-o-{2,6-dideoxy-4-o-[(2s,6s)-6-methyl-5-oxotetrahydro-2h -pyran-2-yl]-alpha-d-lyxo-hexopyranosyl}-3-(dimethylamino)-d-ribo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-c arboxylate
+C([C@@H](C(O)O)N)C(=O)O	AKZ	(3s)-3-amino-4,4-dihydroxybutanoic acid
+[Al+3]	AL	aluminum ion
+C([C@@H](C(=O)O)N)N(N=O)O	AL0	3-[hydroxy(nitroso)amino]-l-alanine
+COc1cccc(c1)N2CCc3cc(sc3S2(=O)=O)S(=O)(=O)N	AL1	3,,4-dihydro-2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+COc1ccc(cc1)[N@@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O	AL2	3,4-dihydro-4-hydroxy-2-(4-methoxyphenyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+c1cc(sc1)C[N@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O	AL3	3,4-dihydro-4-hydroxy-2-(2-thienymethyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOC	AL4	(r)-4-ethylamino-3,4-dihydro-2-(2-methoylethyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+Cc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N	AL5	thiophene-2,5-disulfonic acid 2-amide-5-(4-methyl-benzylamide)
+COc1cccc(c1)N2C=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N	AL6	2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazine-6-sulfinamide-1,1-dioxide
+CN[C@@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC	AL7	(s)-3,4-dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+CN[C@H]1C[N@@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC	AL8	(r)-3,4-dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N	AL9	n-[(4-methoxyphenyl)methyl]2,5-thiophenedesulfonamide
+C[C@@H](C(=O)O)N	ALA	alanine
+C[C@@H](C(=O)[O-])[NH-]	ALA_LEO2	l-alaline c-terminal deprotonated fragment
+C[C@@H](C(=O)O)[NH-]	ALA_LEO2H	l-alaline c-terminal protonated fragment
+C[C@@H](C(=O)O)N	ALA_LFOH	l-alaline free neutral
+C[C@@H](C(=O)[O-])[NH3+]	ALA_LFZW	l-alaline free zwitterion
+C[C@@H]([C-]=O)[NH-]	ALA_LL	l-alaline - linking embedded fragment
+C[C@@H]([C-]=O)[NH3+]	ALA_LSN3	l-alaline n-terminal protonated fragment
+CC1=O[Fe]2345O=C(N(O2)CCC[C@H](C(=O)N[C@@H](CCCN(O3)C(=O4)C)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H]([C@@H]6[C@H]([C@@H]([C@@H](S6)N7C=CC(=NC(=O)N)N(C7=O)C)O)O)O)C(=O)O)NC(=O)C(CCCN1O5)N)C	ALB	delta-2-albomycin a1
+C1CCC(CC1)C[C@@H](C(=O)O)N	ALC	2-amino-3-cyclohexyl-propionic acid
+CC(C)C[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ALD	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s)-1-hydroxy-4-methylpentan-2-yl]-l-leucinamide
+CNC[C@@H](c1ccc(c(c1)O)O)O	ALE	l-epinephrine
+F[Al-](F)(F)F	ALF	tetrafluoroaluminate ion
+[H]/N=C(\N)/NCCCC(=O)O	ALG	4-carbamimidamidobutanoic acid
+CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2	ALH	6-phenyl[5h]pyrrolo[2,3-b]pyrazine
+C=NC1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O	ALI	methyl n-acetyl allosamine
+C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CCCN=C(N)N	ALJ	cyclo-(l-arginine-l-proline) inhibitor
+C[C@H](O)P(=O)(O)OC	ALK	methoxy-[(1~{r})-1-oxidanylethyl]phosphinic acid
+C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O	ALL	beta-d-allopyranose
+C[C@@H](C(=O)C)N	ALM	1-methyl-alaninal
+c1ccc2c(c1)cccc2C[C@@H](C(=O)O)N	ALN	naphthalen-2-yl-3-alanine
+C[C@@H]([C@@H](C(=O)O)N)O	ALO	allo-threonine
+CC1([C@@H](N[C@H](S1)[C@@H](CO)C(=O)O)C(=O)O)C	ALP	2-(1-carboxy-2-hydroxy-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid
+CC(C)C(=O)O	ALQ	2-methyl-propionic acid
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC(=O)O	ALR	alrestatin
+[C@H]([C@@H](O)OS(=O)(=O)O)(C(=O)O)N	ALS	(3s)-3-(sulfooxy)-l-serine
+C[C@@H](C(=S)O)N	ALT	thioalanine
+CC(=O)[P@](=O)(O)OC	ALU	methyl hydrogen (s)-acetylphosphonate
+C[C@@H](C(O)O)N	ALV	(2s)-2-aminopropane-1,1-diol
+CCCS(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC	ALW	methyl 5-(propylsulfinyl)-1h-benzimidazol-2-ylcarbamate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O)O)O)O	ALX	2-o-phosphono-alpha-d-glucopyranose
+CC(=O)NCCCC[C@@H](C(=O)O)N	ALY	n(6)-acetyllysine
+c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)NNCCCCN	ALZ	2-[n'-(4-amino-butyl)-hydrazinocarbonyl]-pyrrolidine-1-carboxylic acid benzyl ester
+[Am+3]	AM	americium ion
+COc1cc(cc(c1OC)OC)Nc2ncnc(n2)n3c4ccccc4nc3Nc5ccccc5	AM0	n-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1h-benzimidazol-2-amine
+Cc1c(c(no1)C(=O)O)CC(C(=O)O)N	AM1	(s)-2-amino-3-(3-carboxy-5-methylisoxazol-4-yl)propionic acid
+CN[C@H]1[C@H]([C@@H]2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O	AM2	apramycin
+CCCCCCCC/N=C\1/N2[C@H](CO1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O	AM3	(3z,5s,6r,7s,8s,8ar)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
+CS(=O)(=O)c1ccc(cc1)C(=N)N	AM4	4-(methylsulfonyl)benzenecarboximidamide
+Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5cccc(c5)C(F)(F)F	AM5	4-methyl-n~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-n~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
+Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)NC(=O)c5cccc(c5C)C(F)(F)F	AM6	2-methyl-n-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide
+CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)Cc6ccccc6	AM7	2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3h)-one
+Cc1c(c([nH]c1C)CC2=C3C=C(C=CC3=NC2=O)S(=O)(=O)N(C)c4cccc(c4)Cl)C	AM8	n-(3-chlorophenyl)-n-methyl-2-oxo-3-[(3,4,5-trimethyl-1h-pyrrol-2-yl)methyl]-2h-indole-5-sulfonamide
+Cc1cccc(c1N2c3nc4ccccc4n3-c5c(cnc(n5)Nc6ccc(cc6)N7CCN(CC7)C)C2=O)C	AM9	6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6h)-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O	AMA	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-succinic acid
+CO\C=C/[C@@H](C(=O)O)N	AMB	l-2-amino-4-methoxy-cis-but-3-enoic acid
+C1CCC(CC1)C[NH3+]	AMC	aminomethylcyclohexane
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)N	AMD	aspartyl-2'-deoxy-adenosine-5'-monophosphate
+CC(=O)N[C@@H](CCSC)C(=O)O	AME	n-acetylmethionine
+CCCCCCCCN=C1N2[C@H](CS1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O	AMF	(3z,5s,6r,7s,8r,8as)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol
+CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	AMG	methyl alpha-d-galactopyranoside
+C1CC(CCC1CN)C(=O)O	AMH	trans-4-aminomethylcyclohexane-1-carboxylic acid
+CN(C)C1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O	AMI	allosamizoline
+CC(=O)N[C@@H](COC)C(=O)NCc1ccccc1	AMJ	n~2~-acetyl-n-benzyl-o-methyl-l-serinamide
+CCCCCN	AML	amylamine
+CC(C)C[C@H](C[Si](CN)(O)O)C=O	AMM	(2s)-2-{[(aminomethyl)(dihydroxy)silyl]methyl}-4-methylpentanal
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CN)O)O)(C(=O)O)OC)O	AMN	methyl 5-acetamido-9-amino-3,5,9-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)O)N	AMO	aspartyl-adenosine-5'-monophosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	AMP	adenosine monophosphate
+Cc1c(c(no1)O)C[C@@H](C(=O)O)N	AMQ	(s)-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid
+c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N	AMR	3,5-diamino-n-(aminoiminomethyl)-6-chloropyrazinecarboxamide
+c1cc(c(cc1S(=O)(=O)N)[Hg])N	AMS	3-mercuri-4-aminobenzenesulfonamide
+c1csc(n1)N	AMT	2-aminothiazole
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	AMU	n-acetyl-beta-muramic acid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C	AMV	methyl 2-acetamido-3-o-[(1r)-1-carboxyethyl]-2-deoxy-beta-d-glucopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[W](=O)(O)O)O)O)N	AMW	adenosine monotungstate
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)N)O	AMX	amidocarboxymethyldethia coenzyme *a
+CCCCC[C@@H]1[C@H]([C@H](OC(=O)[C@H]([C@@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C	AMY	antimycin
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N	AMZ	aminoimidazole 4-carboxamide ribonucleotide
+CCC[C@@H](C(=O)O)NC(=O)C	AN0	n-acetyl-l-norvaline
+Cc1c2ccccc2c(c3c1cccc3)CCC(=O)O	AN1	3-(10-methyl-anthracen-9-yl)-propionic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(N)O)O)O)N	AN2	amp phosphoramidate
+c1ccc2cc3ccccc3cc2c1	AN3	anthracene
+c1cc(cnc1)C2=NCCCC2	AN4	3,4,5,6-tetrahydro-2,3'-bipyridine
+c1cc(cnc1)C(=O)CCCCN	AN5	5-amino-1-pyridin-3-ylpentan-1-one
+CC[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	AN6	5'-{[(3s)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)C(=O)O)O	AN7	(3e)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid
+CCCCCCC[C@@H](C(=O)O)N	AN8	(2s)-2-aminononanoic acid
+CCN(CC)CCC(=O)Nc1cccc2c1C(=O)c3cccc(c3C2=O)NC(=O)CCN(CC)CC	AN9	1,5-bis[3-(diethylamino)propionamido]anthracene-9,10-dione
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)OC(=O)C	ANA	methyl 4-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C	ANB	androsta-1,4-diene-3,17-dione
+c1ccc2cc3c(cccc3N)cc2c1	ANC	anthracen-1-ylamine
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C	AND	3-beta-hydroxy-5-androsten-17-one
+c1[nH]c2c(n1)c(ncn2)N	ANE	adenine
+c1ccc2c(c1)cc3ccccc3c2O	ANF	anthrone
+c12c([nH]c(n1)N)N=C(NC2=O)N	ANG	8-aminoguanine
+Cc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)OC	ANH	methyl n-[(4-methylphenyl)sulfonyl]glycyl-3-[amino(imino)methyl]-d-phenylalaninate
+c1cc(ccc1C(F)(F)F)N	ANI	4-(trifluoromethyl)aniline
+CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@@H](C)CC	ANJ	(2r,3s,6s,7r,8r)-3-{[3-(formylamino)-2-hydroxybenzoyl]amino}-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl (2s)-2-methylbutanoate
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O)N	ANK	9-{5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-l-ribofuranosyl}-9h-purin-6-amine
+c1ccc(cc1)N	ANL	aniline
+CC(=O)O[C@@H]1[C@H](CN[C@@H]1Cc2ccc(cc2)OC)O	ANM	anisomycin
+COc1ccc(cc1)C(=O)O	ANN	4-methoxybenzoic acid
+C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	ANO	5-beta-androstane-3,17-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N	ANP	phosphoaminophosphonic acid-adenylate ester
+c1cc2cccc3c2c(c1)C(=O)C3=O	ANQ	acenaphthenequinone
+CC\1=CCCC(/C1=C\C=C(/C)\C=C\C=C(/C)\C=C)(C)C	ANR	anhydroretinol
+CN(C)c1cccc2c1cccc2S(=O)(=O)O	ANS	5-(dimethylamino)-1-naphthalenesulfonic acid(dansyl acid)
+Cc1ccc2c(c1O)N[C@H]([C@@H]3CC(=CN3C2=O)\C=C\C(=O)N)O	ANT	anthramycin
+C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O	ANU	2,2'-anhydro-(1-beta-d-arabinofuranosyl)uracil
+c1ccc(cc1)OCc2cn(nn2)c3ccc(cc3)S(N)(O)O	ANV	1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole
+CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O	ANW	2-amino-7-(1-methylethyl)-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxylic acid
+c1cc(c(cc1[N+](=O)[O-])O)[N+](=O)[O-]	ANX	2,5-dinitrophenol
+CCCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@H](C)CC	ANY	2-methyl-butyric acid 3-(3-formylamino-2-hydroxy-benzoylamino)-8-heptyl-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester
+[B@@-]12(c3ccc(cc3CO1)F)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	ANZ	[(6-amino-9h-purin-9-yl)-[5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole]-4'yl]methyl dihydrogen phosphate
+CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C	AO	acridine orange
+CCSCC[C@@H]([C@@H](C(=O)N[C@@H](C)c1cccc2c1cccc2)O)N	AO1	(2s,3r)-3-amino-2-hydroxy-5-(ethylsulfanyl)pentanoyl-((s)-(-)-(1-naphthyl)ethyl)amide
+Cc1ccc(cc1)NNC(=O)[C@H]([C@@H](CC2CCCCC2)N)O	AO2	n'-(2s,3r)-3-amino-4-cyclohexyl-2-hydroxy-butano-n-(4-methylphenyl)hydrazide
+CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@H]4[C@@H]([C@H]3O)N=C(O4)N(C)C)CO)CO)CO)O)O	AO3	allosamidin
+c1cnc(cc1C(=O)O)Cl	AO4	2-chloropyridine-4-carboxylic acid
+CC(C)SCC[C@H]([C@@H](C(=O)NNC(=O)c1cccc(c1)Cl)O)N	AO5	n'-((2s,3r)-3-amino-2-hydroxy-5-(isopropylsulfanyl)pentanoyl)-n-3-chlorobenzoyl hydrazide
+CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)C[C@@H](C)O	AO6	2-methyl-1-[(2r)-2-oxidanylpropyl]-9h-carbazole-3,4-dione
+c1ccc2c(c1)C(=O)C=C(O2)C(=O)O	AO7	4-oxo-4h-1-benzopyran-2-carboxylic acid
+B(c1ccccc1CNCCNS(=O)(=O)c2cccc3c2ccnc3)(O)O	AO8	[2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid
+c1csc2n1c(cn2)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O	AO9	5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine
+C(C(=O)O)ON	AOA	(aminooxy)acetic acid
+c1ccc(cc1)/C=C/c2c(c3c([nH]2)N=C(NC3=O)N)C#N	AOB	(e)-2-amino-4-oxo-6-styryl-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+C#CCOC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	AOC	5'-o-prop-2-yn-1-yladenosine
+c1cc(c(cc1Br)C(=O)O)N[C@H]2CCC[C@H](C2)C(=O)O	AOD	5-bromo-2-{[(1s,3r)-3-carboxycyclohexyl]amino}benzoic acid
+CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O)O	AOE	n-butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthren-7-yl]-n-methylundecanamide
+C([C@@H]1[C@H]([C@H]([C@@H](O1)NC2=C(C(=O)NC(=O)N2)N)O)O)OP(=O)(O)O	AOF	n-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-o-phosphono-beta-d-ribofuranosylamine
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O	AOG	octyl 3-amino-3-deoxy-beta-d-galactopyranoside
+CCC1=C(C2=[N-]3C1=Cc4c(c(c5n4[Mg]36[N-]7=C8C(=C9N6C(=C2)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)[C@H](C(=O)C8=C(C7=C5)C)C(=O)OC)[C@H](C)O)C)C	AOH	8(1)-oh-chlorophyll af
+C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O	AOI	androsterone
+c1cc2c(cc1F)c(c[nH]2)[C@H]3CC(=O)NC3=O	AOJ	(3r)-3-(5-fluoro-1h-indol-3-yl)pyrrolidine-2,5-dione
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)C	AOK	~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{h}-benzimidazol-2-yl)ethanamine
+C1([C@H]([C@H]([C@H]([C@H]1O)O)O)O)N	AOL	(1r,2r,3s,4s,5r)-5-aminocyclopentane-1,2,3,4-tetrol
+C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O	AOM	5-alpha-androstane-3-beta,17beta-diol
+C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O	AON	5-alpha-androstane-3-beta,17-alpha-diol
+CCNc1nc(nc(n1)OC)NC(C)C	AOO	n-ethyl-6-methoxy-n'-(1-methylethyl)-1,3,5-triazine-2,4-diamine
+CCCCCONCC=O	AOP	pentyloxyamino-acetaldehyde
+c1ccc2c(c1)C(=O)C(=C(C2=O)O)C3CCC(CC3)c4ccc(cc4)Cl	AOQ	2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione
+CC(=O)N[C@@H](CCCN)C(=O)O	AOR	n~2~-acetyl-l-ornithine
+C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O	AOS	d-allose
+c1ccc(cc1)NC(=O)C(=O)O	AOT	2-oxidanylidene-2-phenylazanyl-ethanoic acid
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)C(=O)c3cn(c4c3cccc4/C=C/C(=O)O)C	AOU	(2e)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1h-indol-7-yl}prop-2-enoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)(O)O)O)O)N	AOV	adp orthovanadate
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(n3)cccc4[N+](=O)O	AOW	[2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{h}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium
+C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O	AOX	(3beta,5alpha)-3-hydroxyandrostan-17-one
+c1ccc(cc1)N/C=C/2\CCCOC2=O	AOY	(3e)-3-[(phenylamino)methylidene]oxan-2-one
+CC(C(=O)O)NC(Cc1c[nH]cn1)C(=O)O	AOZ	histopine
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)N	AP	n-1-aminopyrene
+CC(C1=CN(C=CC1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O	AP0	acetyl pyridine adenine dinucleotide, reduced
+CC[C@@H](c1cc(c(c(c1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O	AP1	{3-[3-(3,4-dimethoxy-phenyl)-1-(1-{1-[2-(3,4,5-trimethoxy-phenyl)-butyryl]-piperidin-2yl}-vinyloxy)-propyl]-phenoxy}-acetic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N	AP2	phosphomethylphosphonic acid adenosyl ester
+CC1([C@@H](N[C@H](S1)[C@H](C(=O)O)C(C)(C)O)C(=O)O)C	AP3	2-(1-carboxy-2-hydroxy-2-methyl-propyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid
+C1[C@@H]2COC(=O)N2C3=C(N1)N=C(NC3=O)N	AP4	7-amino-3,3a,4,5-tetrahydro-8h-2-oxa-5,6,8,9b-tetraaza-cyclopenta[a]naphthalene-1,9-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	AP5	bis(adenosine)-5'-pentaphosphate
+c1ccc(cc1)[C@@H]2CNc3c(c(nc(n3)N)N)N2	AP6	2,4-diamino-6-phenyl-5,6,7,8,-tetrahydropteridine
+c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	AP7	n1-protonated adenosine-5'-monophosphate
+C[C@@H]1CC[C@@H](/C(=C/C[C@H](C[C@H](\C=C\C[C@H](OC(=O)\C=C\C=C\C[C@H]([C@H]([C@@H]1O)C)OC(=O)[C@H](COC)N(C)C)[C@@H](C)[C@H]([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)\C=C\N(C)C=O)OC(=O)C)OC(=O)[C@H](C)N(C)C)O)OC)C)/C)OC	AP8	(8r,9r,10r,11r,14s,18s,20s,24s)-24-{(1r,2s,3r,6r,7r,8r,9s,10e)-8-(acetyloxy)-6-[(n,n-dimethylalanyl)oxy]-11-[formyl(met hyl)amino]-2-hydroxy-1,3,7,9-tetramethylundec-10-enyl}-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxooxacyclote tracosa-3,5,15,21-tetraen-8-yl n,n,o-trimethylserinate
+CC(C)[C@@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cc(cc(c3)Cl)N	AP9	(2s)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methylbutan-1-ol
+[H]/N=C(/c1ccc(cc1)C[C@@H](C(=O)O)O)\N	APA	(2s)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid
+B(c1cccc(c1)N)(O)O	APB	m-aminophenylboronic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N	APC	diphosphomethylphosphonic acid adenosyl ester
+Cc1cccc(c1)C[C@@H](C(=O)O)N	APD	3-methylphenylalanine
+c1ccc(cc1)C[C@H](N)NC(=O)O	APE	(1-amino-2-phenyl-ethyl)-carbamic acid
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F	APF	1,1,1-trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone)
+C[C@](c1ccccc1)(C(=O)O)O	APG	atrolactic acid (2-phenyl-lactic acid)
+c1cc(ccc1C[C@H](C(=O)O)N)C(=N)N	APH	p-amidinophenyl-3-alanine
+C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N	API	2,6-diaminopimelic acid
+c1cc2c(cc1Nc3nccc(n3)Nc4cc(n[nH]4)C5CC5)nc[nH]2	APJ	n~2~-1h-benzimidazol-5-yl-n~4~-(3-cyclopropyl-1h-pyrazol-5-yl)pyrimidine-2,4-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H](C=O)N)O)O)O)N	APK	5'-o-[(s)-{[(5s)-5-amino-6-oxohexyl]amino}(hydroxy)phosphoryl]adenosine
+CC(=O)N[C@@H](Cc1ccccc1)C(C(F)(F)F)(O)O	APL	n-(1-benzyl-3,3,3-trifluoro-2,2-dihydroxy-propyl)-acetamide
+c1cc(cc(c1)C(=N)N)C[C@@H](C(=O)O)N	APM	m-amidinophenyl-3-alanine
+c1nc(c2c(n1)n(cn2)CC(=O)N(CC[NH3+])CC(=O)O)N	APN	2-aminoethylglycine-carbonylmethylene-adenine
+C([C@H](C(=O)O)N)P(=O)(O)O	APO	d-2-amino-3-phosphono-propionic acid
+CC(=O)N1CCCC[C@H]1C(=O)O	APP	1-acetyl-2-carboxypiperidine
+CCCSCc1cc(cc2c1N=C(NC2=O)N)N	APQ	2,6-diamino-8-propylsulfanylmethyl-3h-quinazoline-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N	APR	adenosine-5-diphosphoribose
+C[C@@H](Cn1cnc2c1ncnc2N)O	APS	9-hydroxypropyladenine, s-isomer
+c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc([nH+]3)N)O	APT	2-amino-6-[(4-carboxy-phenylamino)-methyl]-4-hydroxy-pteridin-1-ium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O)O)O)N	APU	adenylyl-3'-5'-phospho-uridine-3'-monophosphate
+C(C[C@@H](C(=O)O)N)CC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H]([C@H](S2)CO)C(=O)O	APV	6-(5-amino-5-carboxy-pentanoylamino)-3-hydroxymethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@]4(=O)O[Mg]O[P@](=O)(O4)N)O)O)N	APW	{5'-o-[(r)-{[(s)-amino(hydroxy-kappao)phosphoryl]oxy}(hydroxy-kappao)phosphoryl]adenosinato(2-)}magnesium
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)[NH2+]CNC2N	APX	2'-monophosphoadenosine-5'-diphosphoribose
+c1ccnc(c1)CN	APY	2-aminomethyl-pyridine
+c1cc2c(cc1N)C(=O)NNC2=O	APZ	4-aminophthalhydrazide
+c1ccc2c(c1)ccc3c2OC(=CC3=O)C4CCC(CC4)N=[N+]=[N-]	AQ0	2-(cis-4-azidocyclohexyl)-4h-naphtho[1,2-b]pyran-4-one
+CCCC1=CC(=O)NC(=N1)Nc2ccccc2F	AQ1	2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3h)-one
+CC(C)c1cc2c(ccnc2[nH]1)c3ccc(cc3)S(=O)(=O)NC4CCS(=O)(=O)CC4	AQ2	n-(1,1-dioxidotetrahydro-2h-thiopyran-4-yl)-4-[2-(1-methylethyl)-1h-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CNc2ccccc2O)C(=O)O)O	AQ3	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-3-[(2-hydroxyphenyl)amino]-d-alanine
+COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C	AQ4	[6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine
+c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5ccncn5	AQ5	(6~{s})-8-(3-pyrimidin-4-yl-1~{h}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)N4CCN(CC4)C5CCCCC5)Nc6ccc(cc6)C(=O)O	AQ6	4-[[4-azanyl-3-(4-cyclohexylpiperazin-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid
+CCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)C(=O)O	AQ7	n-[(3r)-1-propanoylpiperidine-3-carbonyl]-l-alanine
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cccc(c4n3)OC	AQ8	~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{h}-benzimidazol-2-yl)ethanamine
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O	AQ9	1-o-[(8alpha,9beta,10alpha,13alpha)-13-(beta-d-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-d-glucopyranose
+C1=C(O[C@@H]([C@@H]([C@H]1O)O)O)C(=O)O	AQA	4-deoxy-beta-l-threo-hex-4-enopyranuronic acid
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCCN(C)C	AQB	n-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide
+c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)C(=O)N	AQC	9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
+C[C@@H]1[C@@H](CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl	AQD	nemonapride
+c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5nccs5	AQE	2-[4-[(6~{s})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
+CCN(CC)C(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	AQG	4-{[6-(cyclohexylmethoxy)-7h-purin-2-yl]amino}-n,n-diethylbenzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O)O)O)O)N	AQH	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3r,4r,5r,6s)-6-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+CC[C@@H]1[C@@](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O	AQJ	(3r,5r,6s,7s,9r,11e,13s,14r)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+C(C[C@@H](C(=O)O)NCC(=O)O)CN	AQK	(2~{s})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCN6CCN(CC6)C	AQM	n-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide
+c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O	AQN	9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
+c1ccc2c(c1)C(=O)NC(=N2)N	AQO	2-aminoquinazolin-4(3h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N	AQP	adenosine-5'-tetraphosphate
+C[C@H](C(=O)O)N[C@@H](CCCN)C(=O)O	AQQ	(2~{s})-5-azanyl-2-[[(2~{r})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid
+c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)N(CCC[NH3+])CCC[NH3+]	AQS	n,n-bis(3-aminopropyl)-2-anthraquinonesulfonamide
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)OC	AQT	~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{h}-benzimidazol-2-yl)ethanamine
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5ccccc5ncn4	AQU	1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea
+C[C@H]1CC(N(c2c1cccc2)C(=O)CN3C(=O)c4ccccc4C3=O)(C)C	AQV	2-{2-oxo-2-[(4s)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2h)-yl]ethyl}-1h-isoindole-1,3(2h)-dione
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)Cl	AQW	2-(5-chloranyl-1~{h}-benzimidazol-2-yl)-~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine
+Cc1cc(ccc1F)c2c(n3c(n2)cccn3)c4ccnc(c4)NC(=O)c5cc[n+](c(c5)C)[O-]	AQY	n-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide
+Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6	AQZ	n-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylisonicotinamide
+[Ar]	AR	argon
+c1c[n+](ccc1CC(=O)O)C[C@H]([C@H](CCCNC(=[NH2+])N)N)O	AR0	4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-d-erythro-hexitol
+Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)Nc3cn(c(n3)C(=O)NCC[NH+](C)C)C)C)NC=O	AR1	(2-{[4-({4-[(4-formylamino-1-methyl-1h-imidazole-2-carbonyl)-amino]-1-methyl-1h-imidazole-2-carbonyl}-amino)-1-methyl-1 h-imidazole-2-carbonyl]-amino}-ethyl)-dimethyl-ammonium
+[H]/N=C(\N)/NCCC[C@@H](C(=O)c1nc2ccc(cc2s1)C(=O)O)N	AR2	arginyl-benzothiazole-6-carboxylic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	AR3	cytarabine
+C(CC(=O)OC1C(C(C(O1)CO)O)(O)F)C(C(=O)O)N	AR4	2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C	AR5	n~2~-(tert-butoxycarbonyl)-l-arginine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N	AR6	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
+C(C[C@@H](C(O)O)N)CNC(=[NH2+])N	AR7	amino{[(4s)-4-amino-5,5-dihydroxypentyl]amino}methaniminium
+c1cc(c(cc1[N+](=O)O)[N+](=O)O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	AR8	n-{[(1s)-5-{4-[25-({2,4-bis[hydroxy(oxo)ammonio]phenyl}amino)-2,5,8,11,14,17,20,23-octaoxapentacos-1-yl]-1h-1,2,3-triazol-1-yl}-1-carboxypentyl]carbamoyl}-l-glutamic acid
+CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCCCC(=O)N[C@H](C(=O)N1)C)C)O	AR9	(2r,4s)-n-butyl-4-[(2s,5s,7r)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide
+C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	ARA	alpha-l-arabinopyranose
+C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	ARB	beta-l-arabinopyranose
+CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO	ARC	3,7,11,15-tetramethyl-hexadecan-1-ol
+Cc1ccc(s1)[C@@H]/2C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O[C@@H](CC(=O)[C@@H](\C=C(\[C@H]([C@H](C(=O)[C@@H](C[C@@H](\C=C\C=C\C=C2/C)C)C)OC)O)/C)C)[C@H](C)C[C@@H]5CC[C@H]([C@@H](C5)OC)O)O)C	ARD	c15-(r)-methylthienyl rapamycin
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO	ARE	acarbose derived pentasaccharide
+C(=O)N	ARF	formamide
+C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N	ARG	arginine
+C(C[C@@H](C(=O)[O-])[NH-])CNC(=[NH2+])N	ARG_LEO2	l-arginine c-terminal deprotonated fragment
+C(C[C@@H](C(=O)O)[NH-])CNC(=[NH2+])N	ARG_LEO2H	l-arginine c-terminal protonated fragment
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)[NH-]	ARG_LEO2H_DHH12	l-arginine-c-terminal protonated fragment/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH-]	ARG_LEO2H_DHH22	l-arginine-c-terminal protonated fragment/with side chain deprotonated nh2
+C(C[C@@H](C(=O)O)[NH-])CNC(=[NH2+])N	ARG_LEO2H_RNH1	l-arginine-c-terminal protonated fragment/side chain resonance alternate
+[H]/N=C(\N)/NCCC[C@@H](C(=O)[O-])[NH-]	ARG_LEO2_DHH12	l-arginine-c-terminal deprotonated fragment/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H](C(=O)[O-])[NH-]	ARG_LEO2_DHH22	l-arginine-c-terminal deprotonated fragment/with side chain deprotonated nh2
+C(C[C@@H](C(=O)[O-])[NH-])CNC(=[NH2+])N	ARG_LEO2_RNH1	l-arginine-c-terminal deprotonated fragment/side chain resonance alternate
+C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N	ARG_LFOH	l-arginine free neutral
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N	ARG_LFOH_DHH12	l-arginine-free neutral/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N	ARG_LFOH_DHH22	l-arginine-free neutral/with side chain deprotonated nh2
+C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N	ARG_LFOH_RNH1	l-arginine-free neutral/side chain resonance alternate
+C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N	ARG_LFZW	l-arginine free zwitterion
+[H]/N=C(\N)/NCCC[C@@H](C(=O)[O-])[NH3+]	ARG_LFZW_DHH12	l-arginine-free zwitterion/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H](C(=O)[O-])[NH3+]	ARG_LFZW_DHH22	l-arginine-free zwitterion/with side chain deprotonated nh2
+C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N	ARG_LFZW_RNH1	l-arginine-free zwitterion/side chain resonance alternate
+C(C[C@@H]([C-]=O)[NH-])CNC(=[NH2+])N	ARG_LL	l-arginine - linking embedded fragment
+[H]/N=C(\N)/NCCC[C@@H]([C-]=O)[NH-]	ARG_LL_DHH12	l-arginine-linking embedded fragment/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H]([C-]=O)[NH-]	ARG_LL_DHH22	l-arginine-linking embedded fragment/with side chain deprotonated nh2
+C(C[C@@H]([C-]=O)[NH-])CNC(=[NH2+])N	ARG_LL_RNH1	l-arginine-linking embedded fragment/side chain resonance alternate
+C(C[C@@H]([C-]=O)[NH3+])CNC(=[NH2+])N	ARG_LSN3	l-arginine n-terminal protonated fragment
+[H]/N=C(\N)/NCCC[C@@H]([C-]=O)[NH3+]	ARG_LSN3_DHH12	l-arginine-n-terminal protonated fragment/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H]([C-]=O)[NH3+]	ARG_LSN3_DHH22	l-arginine-n-terminal protonated fragment/with side chain deprotonated nh2
+C(C[C@@H]([C-]=O)[NH3+])CNC(=[NH2+])N	ARG_LSN3_RNH1	l-arginine-n-terminal protonated fragment/side chain resonance alternate
+C[C@@H]1C[N@@]1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O	ARH	3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-phenyl-1h-indole-4,7-dione
+C[C@@H]1[C@@H](CC[C@@H](O1)O)OC(=O)C	ARI	(2r,3r,6r)-6-hydroxy-2-methyltetrahydro-2h-pyran-3-yl acetate
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N	ARJ	(2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone
+c1cc(c(cc1[N+](=O)O)[N+](=O)O)NCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	ARK	n-({(1s)-5-[4-({2-[2-({2,4-bis[hydroxy(oxo)ammonio]phenyl}amino)ethoxy]ethoxy}methyl)-1h-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-l-glutamic acid
+C\C(=C/C(=O)O)\C=C\C=C(/C)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C	ARL	7-(3,5-ditert-butylphenyl)-3-methylocta-2,4,6-trienoic acid
+CC(=O)[C@H](CCCNC(=N)N)N	ARM	deoxy-methyl-arginine
+C(CC=N)CC=O	ARN	1-imino-5-pentanone
+C([C@H](CNC(=[NH2+])N)O)[C@@H](C(=O)O)N	ARO	c-gamma-hydroxy arginine
+C[C@H](Cn1cnc2c1ncnc2N)O	ARP	9-hydroxypropyladenine, r-isomer
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@@+](C)(Cc2ccccc2)NC(=O)c3ccccc3)O	ARQ	benzoylamino-benzyl-methyl-[2-hydroxy-3-[1-methyl-ethyl-oxy-n-formamidyl]-4-phenyl-butyl]-ammonium
+[H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)Cl	ARR	n-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
+[As]	ARS	arsenic
+[O-][As](=O)([O-])[O-]	ART	arsenate
+CCN(CC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(P(=O)(O)O)(Br)Br)O)O)O	ARU	5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-n,n-diethyladenosine
+C=CC\[NH+]=C(\N)/NCCC[C@@H](C(=O)O)N	ARV	5-n-allyl-arginine
+CO[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O	ARW	methyl beta-d-arabinopyranoside
+[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	ARX	(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-n-(6-{[(1r)-4-carbamimidamido-1-{[(1r)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide
+C1C2CC3CC1CC(C2)(C3)C(=O)Nc4nnc(s4)S(=O)(=O)N	ARZ	(3s,5s,7s)-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=S)(O)O)O)N	AS	2-deoxy-adenosine -5'-thio-monophosphate
+C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(COC)OC)c5ccc(cc5)\C=N\O	AS0	4-[(11beta,17beta)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl]benzaldehyde oxime
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(CC(=O)O)C(=O)O	AS1	argininosuccinate
+C(C=O)[C@H](C(=O)O)N	AS2	(2r)-2-amino-4-oxobutanoic acid
+CCCc1cc(cc(n1)N)C	AS3	4-methyl-6-propylpyridin-2-amine
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O	AS4	aldosterone
+Cc1ccc(cc1N(c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)C(C)C)CO	AS6	{4-methyl-3-[(1-methylethyl)(2-{[3-(methylsulfonyl)-5-morpholin-4-ylphenyl]amino}pyrimidin-4-yl)amino]phenyl}methanol
+c1cc(ccc1CNC(=O)C[C@@H](C(=O)O)N)C#N	AS7	n4-(4-cyanobenzyl)-l-asparagine
+CC(=O)OS(=O)(=O)O	AS8	acetylsulfate
+C[P@](=O)(N[C@@H](CC(=O)O)C(=O)O)O	AS9	n-[hydroxy(methyl)phosphoryl]-l-aspartic acid
+C([C@@H](C=O)N)C(=O)O	ASA	aspartic aldehyde
+C([C@@H](C(=O)O)N)C(=O)OCC(=O)O	ASB	aspartic acid-4-carboxymethyl ester
+C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O	ASC	ascorbic acid
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	ASD	4-androstene-3-17-dione
+CC(=O)NCCc1c[nH]c2c1cc(cc2)O	ASE	n-acetyl serotonin
+CCCCS(=O)(=O)CCC(=O)O	ASF	3-(butylsulphonyl)-propanoic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O	ASG	2-acetamido-2-deoxy-4-o-sulfo-beta-d-galactopyranose
+c1cc(cnc1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl	ASH	3-chloro-n-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine
+C([C@@H](C(=O)[O-])N)C(=O)O	ASI	l-iso-aspartate
+C([C@@H](CO)N)C(=O)O	ASJ	(3s)-3-amino-4-hydroxybutanoic acid
+CC(=O)[C@H](CC(=O)O)N	ASK	dehydroxymethylaspartic acid
+CC(C(=O)O)OC(=O)CC(C(=O)O)N	ASL	aspartic acid-4-carboxyethyl ester
+c1ccn(c1)C(=O)C[C@@H](C(=O)O)N	ASM	2-amino-4-oxo-4(1h-pyrrol-1-yl)butanoic acid
+C([C@@H](C(=O)O)N)C(=O)N	ASN	asparagine
+C([C@@H](C(=O)[O-])[NH-])C(=O)N	ASN_LEO2	l-asparagine c-terminal deprotonated fragment
+C([C@@H](C(=O)O)[NH-])C(=O)N	ASN_LEO2H	l-asparagine c-terminal protonated fragment
+C([C@@H](C(=O)O)N)C(=O)N	ASN_LFOH	l-asparagine free neutral
+C([C@@H](C(=O)[O-])[NH3+])C(=O)N	ASN_LFZW	l-asparagine free zwitterion
+C([C@@H]([C-]=O)[NH-])C(=O)N	ASN_LL	l-asparagine - linking embedded fragment
+C([C@@H]([C-]=O)[NH3+])C(=O)N	ASN_LSN3	l-asparagine n-terminal protonated fragment
+C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	ASO	1,5-anhydro-d-glucitol
+C([C@@H](C(=O)O)N)C(=O)O	ASP	aspartic acid
+C([C@@H](C(=O)[O-])[NH-])C(=O)O	ASP_LEO2	l-aspartic acid c-terminal deprotonated fragment
+C([C@@H](C(=O)O)[NH-])C(=O)O	ASP_LEO2H	l-aspartic acid c-terminal protonated fragment
+C([C@@H](C(=O)O)[NH-])C(=O)[O-]	ASP_LEO2H_DHD2	l-aspartic acid-c-terminal protonated fragment/with side chain deprotonated od2
+C([C@@H](C(=O)[O-])[NH-])C(=O)[O-]	ASP_LEO2_DHD2	l-aspartic acid-c-terminal deprotonated fragment/with side chain deprotonated od2
+C([C@@H](C(=O)O)N)C(=O)O	ASP_LFOH	l-aspartic acid free neutral
+C([C@@H](C(=O)O)N)C(=O)[O-]	ASP_LFOH_DHD2	l-aspartic acid-free neutral/with side chain deprotonated od2
+C([C@@H](C(=O)[O-])[NH3+])C(=O)O	ASP_LFZW	l-aspartic acid free zwitterion
+C([C@@H](C(=O)[O-])[NH3+])C(=O)[O-]	ASP_LFZW_DHD2	l-aspartic acid-free zwitterion/with side chain deprotonated od2
+C([C@@H]([C-]=O)[NH-])C(=O)O	ASP_LL	l-aspartic acid - linking embedded fragment
+C([C@@H]([C-]=O)[NH-])C(=O)[O-]	ASP_LL_DHD2	l-aspartic acid-linking embedded fragment/with side chain deprotonated od2
+C([C@@H]([C-]=O)[NH3+])C(=O)O	ASP_LSN3	l-aspartic acid n-terminal protonated fragment
+C([C@@H]([C-]=O)[NH3+])C(=O)[O-]	ASP_LSN3_DHD2	l-aspartic acid-n-terminal protonated fragment/with side chain deprotonated od2
+C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O	ASQ	phosphoaspartate
+c1cc(ccc1N)[As](=O)(O)O	ASR	4-aminophenylarsonic acid
+C/C=C/N(C)Cc1cc2cc(ccc2n1C)OCCCC3CCN(CC3)Cc4ccccc4	ASS	(e)-n-methyl-n-[[1-methyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propoxy]indol-2-yl]methyl]prop-1-en-1-amine
+[O-][As]([O-])[O-]	AST	arsenite
+C1[C@@H]([C@H](S[C@@H]1O)COP(=O)(O)O)O	ASU	4'-thio-2'4'-dideoxyribofuranose-5'-phosphate
+C=C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	ASV	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-vinylglycine
+COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C	ASW	n-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide
+*=C(*)C[C@@H](C(=O)O)N	ASX	asp/asn ambiguous
+CCCCC\C=C\CC(=O)CCCCCCCCC(=O)O	ASY	(12e)-10-oxooctadec-12-enoic acid
+CN(C)CCS(=O)(=O)O	ASZ	2-(dimethylamino)ethanesulfonic acid
+CC(C)(C)c1c(c(no1)OCP(=O)(O)O)C[C@@H](C(=O)O)N	AT1	(s)-2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid
+CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C	AT2	ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
+CC(=O)SCC[N+](C)(C)C	AT3	acetylthiocholine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)S)O)O)N	AT4	5'-o-[(r)-hydroxy(thiophosphonooxy)phosphoryl]adenosine
+C[C@@H](C[C@H](C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O)[C@H](CCl)Cl	AT5	3-[(2s,4s,5r)-5,6-dichloro-2,4-dimethyl-1-oxohexyl]-4-hydroxy-5,6-dimethoxy-2(1h)-pyridinone
+Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N	AT6	n-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-4-cyanobenzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)N=[N+]=N)N	AT7	2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-adenine-5'-monophosphate
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cc(c(cc4n3)Cl)Cl	AT8	2-[5,6-bis(chloranyl)-1~{h}-benzimidazol-2-yl]-~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine
+C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F	AT9	[[(2r,3r,4r,5r)-5-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CCNc1nc(nc(n1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)NC(C)C	ATA	atrazine glutathione conjugate
+CN(C)CC(=O)Nc1ccc2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O	ATC	9-(n,n-dimethylglycylamido)-6-deoxy-6-demethyl-tetracycline
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O	ATD	thymidine-3'-phosphate
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C	ATE	16,17-androstene-3-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(F)(F)P(=O)(O)O)O)O)O)N	ATF	phosphodifluoromethylphosphonic acid-adenylate ester
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)S)O)O)N	ATG	phosphothiophosphoric acid-adenylate ester
+C(=C(/[C@H](C(=O)[O-])O)\C(=O)[O-])/C(=O)[O-]	ATH	4-hydroxy-aconitate ion
+CC(C)C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N	ATI	n-(3-amino-2-hydroxy-5-methylhexanoyl)valylvalylaspartic acid
+CCO[P@H](=O)O	ATJ	ethyl hydrogen phosphonate
+c1cc2cnn(c2cc1NC3CCCC3)c4cncc(n4)n5ccc(c5)CC(=O)O	ATK	(1-{6-[6-(cyclopentylamino)-1h-indazol-1-yl]pyrazin-2-yl}-1h-pyrrol-3-yl)acetic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@H]([C@](O2)(CO3)COP(=O)(O)O)O	ATL	[(1s,3r,4s,7r)-7-hydroxy-3-(thymin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-]	ATM	3'-azido-3'-deoxythymidine-5'-monophosphate
+CC(=O)CCl	ATO	chloroacetone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N	ATP	adenosine-5'-triphosphate
+C1CSC(=N1)N	ATQ	2-aminothiazoline
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N	ATR	2'-monophosphoadenosine-5'-diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(C[As](=O)(O)O)O)O)O)N	ATS	gamma-arsono-beta, gamma-methyleneadenosine-5'-diphosphate
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc2nnc(s2)S	ATT	2-[3-(5-mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-n-methyl-3-phenyl-propionamide
+c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)[N+](=O)[O-])CC(=O)N2	ATU	9-nitro-5,12-dihydro-7h-benzo[2,3]azepino[4,5-b]indol-6-one
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)C[C@@H]4CO4	ATV	2-[(2r)-oxiran-2-ylmethyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione
+CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O	ATW	(1-{6-[6-(propan-2-ylamino)-1h-indazol-1-yl]pyrazin-2-yl}-1h-pyrrol-3-yl)acetic acid
+C[C@@H](C(=O)c1nnc(o1)C(C)(C)C)N	ATX	(2s)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)C	ATY	3'-o-acetylthymidine-5'-diphosphate
+CCNc1nc(nc(n1)Cl)NC(C)C	ATZ	2-chloro-4-isopropylamino-6-ethylamino -1,3,5-triazine
+[Au+]	AU	gold ion
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)O)O)O)O)N	AU1	5'-o-[(r)-hydroxy(phosphonoamino)phosphoryl]adenosine
+c1ccc(cc1)c2c(cc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3)Cl	AU2	2-(1~{h}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium
+[Au+3]	AU3	gold 3+ ion
+CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)N	AU4	4,4'-(aminomethylene)bis(n,n-dimethylaniline)
+CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3ncc4c(n3)N(C(=O)N4C)C5CCCC5	AU5	9-cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8h-purin-8-one
+Cc1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O	AU6	3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid
+C[C@@H](c1c(cccc1Cl)C2CC2)Oc3ccc4c(c3)c(c(cn4)/C=C/C(=O)O)C5CC5	AU7	(2e)-3-{6-[(1s)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid
+c1ccc(cc1)c2c(cc(cc2Cl)C[NH3+])Cl	AU8	[3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium
+c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4	AUB	4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid
+C(#N)[Au]C#N	AUC	gold (i) cyanide ion
+CC1=CC(=O)NS(=O)(=O)O1	AUD	acesulfame
+c1cc(cc(c1)Cl)c2c(nc3c(n2)c(nc(n3)N)N)N	AUE	6-(3-chlorophenyl)pteridine-2,4,7-triamine
+CC[P-](CC)(CC)[Au+]	AUF	triethylphosphanuidylgold(1+)
+c1cc(cc(c1)Br)c2c(nc3c(n2)c(nc(n3)N)N)N	AUG	6-(3-bromophenyl)pteridine-2,4,7-triamine
+CCc1ccccc1c2ccc(cc2OC)CNCCc3[nH]c4ccccc4n3	AUH	2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine
+CC1=C(C(=O)c2ccccc2N1)C/C=C(\C)/CC/C=C(\C)/C[C@H](C=C(C)C)O	AUI	3-[(2e,6e,9r)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1h)-one
+Cc1ncc(c(n1)N)C[N]2=C(SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](C)(O)OO	AUJ	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{s})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+CC1=C(C(=O)c2ccccc2N1O)C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	AUK	1-hydroxy-2-methyl-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1h)-one
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/CCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	AUL	2'-deoxy-5-{(1e)-5-[(10-hydroxydecanoyl)amino]pent-1-en-1-yl}uridine 5'-(tetrahydrogen triphosphate)
+C[C@@H](C(=O)Nc1[nH]c(cn1)c2ccc(cc2)Br)Oc3ccc(cc3)c4cn(cn4)C	AUN	(2~{s})-~{n}-[5-(4-bromophenyl)-1~{h}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O	AUO	(8alpha,9beta,10alpha,13alpha)-13-{[beta-d-glucopyranosyl-(1->2)-[beta-d-glucopyranosyl-(1->3)]-beta-d-glucopyranosyl]oxy}kaur-16-en-18-oic acid
+c1ccc(cc1)p2c(c3c(c2c4ccccn4)CCCC3)c5ccccn5	AUP	2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2h-isophosphindol-1-yl)pyridine
+C[C@@H](C(=O)Nc1ccc(cc1)I)Oc2ccc(cc2)OC	AUQ	(2~{s})-~{n}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
+CC[C@@H]1[C@]2([C@H]([C@@](O1)([C@H]([C@@H](O2)\C=C\C=C\C=C\C3=C(C(=CC(=O)O3)OC)C)O)C)OC(=O)C)C	AUR	aurovertin b
+CCc1ccccc1c2c(cc(cc2Cl)CN)Cl	AUT	[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine
+C1CC2C[C@H]1[C@@](C2)(C(=O)O)N	AUU	(1s,2s,4r)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
+c1ccc(c(c1)c2cccc(c2)C(=O)O)O	AUV	3-(2-hydroxyphenyl)benzoic acid
+CCc1ccccc1c2c(cc(cc2Cl)CNCCc3[nH]c4ccccc4n3)Cl	AUW	2-(1~{h}-benzimidazol-2-yl)-~{n}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine
+C[C@H](C/C=C/CCC[n+]1cccc2c1cccc2)[C@H]([C@@H](C(=O)O)NC)O	AUX	4-methyl-4-[8-quinolinium-4-ene]-4,n-methyl-threonine
+Cc1cc(sc1)CNc2cnccc2C(=O)O	AUY	3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
+Cc1cccc-2[n+]1[Au]3([n+]4c2cccc4C)O[Au]5(O3)[n+]6c(cccc6-c7[n+]5c(ccc7)C)C	AUZ	bis(m2-oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii)
+CCCCCCCCCCC(CCCCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O	AV0	2-decyl-2-{[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]methyl}dodecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)N	AV1	[(2r,3s,4r,5r)-5-(6-amino-8-bromo-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[V](=O)(O4)O)N	AV2	adenosine-5'-diphosphate-2',3'-vanadate
+CC1=Nc2ccc(c(c2C1)F)Oc3c4cc(c(cc4ncn3)OCCCN5CCCC5)OC	AV3	4-[(4-fluoro-2-methyl-3h-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline
+CN(C)c1cccc(c1)c2cccc(c2)C(=O)O	AV4	3-[3-(dimethylamino)phenyl]benzoic acid
+CC1=Nc2c(c3ccccc3nc2c4ccc(cc4)Cl)C(=O)N1CC(=O)O	AV5	2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
+c1cc2cccc3c2c(c1)NC(N3)c4ccc(c(c4)O)O	AV6	4-(2,3-dihydro-1h-perimidin-2-yl)benzene-1,2-diol
+CC(=O)Nc1cccc(c1)c2cccc(c2)C(=O)O	AV7	3-(3-acetamidophenyl)benzoic acid
+CC1=C/C(=N\C(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)/NO1	AV9	tivozanib
+c1ccnc(c1)c2cccc(c2)C(=O)O	AVA	3-pyridin-2-ylbenzoic acid
+c1cc(ncc1Br)NC(=O)[C@@H]2CCCNC2	AVB	(3~{r})-~{n}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[V@@](=O)(O4)O)N	AVC	adenosine-5'-monophosphate-2',3'-vanadate
+c1ccc(c(c1)C(=O)O)N2C=C(C(=O)c3c2cc(c(c3)Nc4c(cc(cc4Cl)F)F)Cl)C(=O)O	AVD	1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(c(cc1C(=O)O)OC(F)(F)F)NC(=O)NC(=O)c2cc(c(cc2Cl)F)F	AVE	4-[3-(2-chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid
+c1cc(c(cc1F)NC(=O)NC(=O)c2cc(c(cc2Cl)F)F)N3CCC(CC3)C(=O)O	AVF	1-{2-[3-(2-chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid
+C(COCCN)[C@@H](C(=O)O)N	AVG	2-amino-4-(2-amino-ethoxy)-butyric acid
+C=C[C@@H]1CCC([C@@H](C1)O)O	AVH	(1r,2r,4r)-4-ethenylcyclohexane-1,2-diol
+CN(C)[C@@H](Cc1c[nH]cn1)C(=O)O	AVI	n,n-dimethyl-l-histidine
+C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O	AVJ	n,n,n-trimethyl-histidine
+c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]ccn3	AVK	~{n}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{h}-imidazol-2-yl)ethanamine
+CC(C)c1c(c2ccccn2n1)C(=O)C(C)C	AVL	2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
+CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3ccc4cccnc4c3	AVM	3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid
+C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N	AVN	(2s)-amino[(5s)-3-chloro-4,5-dihydroisoxazol-5-yl]acetic acid
+c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCCC2	AVO	pyrrolidinohistidine
+c1nc2c(n1COCCO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N	AVP	acyclovir triphosphate
+Cc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O	AVQ	2-[(2,5-dichlorobenzyl)sulfanyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
+C[C@H](C(=O)c1c2ccccn2nc1C(C)C)N	AVR	(2r)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
+CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)OC)F)C(=O)N1CC(=O)O	AVT	2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@@H](CO4)F)O)O)O)N	AVU	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4r)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)F)N	AVV	[(2r,3s,4r,5r)-5-(6-amino-2-fluoro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)F)O)O)O)N	AVW	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4s)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+Cn1c(cc(n1)c2cc3c(c(c2)Br)OCO3)N	AVX	3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-5-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3	AVY	(1r,2s)-2-{[n-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3c[nH]cn3	AVZ	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{h}-imidazol-4-yl)ethyl]azanium
+Cc1ccc(cc1)NC(=O)NCCC[N@](C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(C)C	AW0	5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine
+CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	AW1	5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine
+CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(c4c3ncnc4N)Br)O)O	AW2	5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(c4c3ncnc4N)Br)O)O	AW3	5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCCc2cccc(c2)Cl	AW4	(1s,2s)-2-[(n-{[2-(3-chlorophenyl)ethoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+Cc1cc(cc(c1)O)C(=O)O	AW5	3-methyl-5-oxidanyl-benzoic acid
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccc(cc4)Cl	AW6	4-chloro-n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide
+c1cnc(nc1)Oc2ccc(cc2)c3cc[nH]n3	AW7	2-[4-(1~{h}-pyrazol-3-yl)phenoxy]pyrimidine
+CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)Cl)F)[C@H](N1CC(=O)O)O	AW8	2-[(1~{r})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{h}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
+COC(=O)C=CC(=O)O	AW9	(2z)-4-methoxy-4-oxobut-2-enoic acid
+COc1ccc(cc1)[C@H]2CC(=NC(=O)N2)C(=O)O	AWA	(6~{r})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{h}-pyrimidine-4-carboxylic acid
+CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C	AWB	[(2r,3s,6s,7r,8r)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate
+c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)O)O	AWC	2'-deoxy-5'-o-[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine
+CN1CCN(CC1)C(=O)Nc2ccc(cc2)F	AWD	~{n}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide
+c1cc(cc(c1)F)c2ccc(cc2Cl)CN	AWE	[3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine
+Cc1c(sc(n1)C(C)(C)O)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F	AWF	2-(5-(6-amino-5-((r)-1-(5-fluoro-2-(2h-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol
+c1ccc(c(c1)N)Nc2[nH]c3ccccc3n2	AWG	~{n}2-(1~{h}-benzimidazol-2-yl)benzene-1,2-diamine
+CN\1C(=O)/C(=C/c2ccccc2OCC(=O)O)/S/C1=N\c3cccc(c3)C(=O)O	AWH	3-[(z)-[(5z)-5-[[2-(2-hydroxy-2-oxoethyloxy)phenyl]methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid
+Cc1c(sc(n1)[C@@](C)(CO)O)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3N4NC=CN4)F	AWJ	(2r)-2-[5-(6-amino-5-{(1r)-1-[2-(1,3-dihydro-2h-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(cccc4n3)C	AWK	~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{h}-benzimidazol-2-yl)ethanamine
+Cc1ccc(cc1N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)Cl	AWL	1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone
+CN1CCN(CC1)c2nc3ccccc3s2	AWM	2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
+c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]c4ccccc4n3	AWN	2-(1~{h}-benzimidazol-2-yl)-~{n}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine
+CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(ncn4)N5C=CN(C=C5)CC	AWO	n-(5-ethyl-1,2-oxazol-3-yl)-n'-[4-(2-{[6-(4-ethylpyrazin-1(4h)-yl)pyrimidin-4-yl]amino}-1,3-thiazol-5-yl)phenyl]urea
+c1cnccc1CCNC(=O)NC2CCCCC2	AWP	1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea
+Cc1c(c(c([nH]1)C)CC(=O)O)CCC(=O)O	AWQ	3-[4-(2-hydroxy-2-oxoethyl)-2,5-dimethyl-1~{h}-pyrrol-3-yl]propanoic acid
+COc1ccc2c3ccnc(c3n(c2c1)CCCCN)C(F)(F)F	AWR	4-(7-methoxy-1-(trifluoromethyl)-9h-pyrido[3,4-b]indol-9-yl)butan-1-amine
+CC1=CC(=O)Oc2c1ccc(c2CN(C)C)O	AWS	8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)c4c[nH]nc4)OC)OC	AWT	6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[3-(1~{h}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine
+C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O	AWU	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+c1ccc2c(c1)c(c[nH]2)CN3CCCCCC3	AWV	3-(azepan-1-ylmethyl)-1~{h}-indole
+Cc1nc2c(c(n1)N[C@H](C)c3ccc(s3)c4ccccc4CO)CC(=C(C2)OC)OC	AWW	[2-[5-[(1~{r})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol
+Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)CNC(=O)C=C)C(=O)NN=C4N)C	AWX	n-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2h-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide
+CC(=O)NCCc1cccc2c1cc(cc2)OC	AWY	~{n}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccc(s3)c4cnc5n4CCC5)OC)OC	AWZ	~{n}-[(1~{r})-1-[5-(6,7-dihydro-5~{h}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
+Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)NC(=O)C=C)C(=O)NN=C4N)C	AX0	n-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2h-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide
+c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2	AX1	2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1(nc(nc(n1)N)N)N	AX2	1,3,5-triazine-2,4,6-triamine
+C1CC1Nc2nc(nc(n2)N)N	AX3	n~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine
+Cc1ccc(cc1)Sc2cc(nc(n2)N)N	AX4	6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine
+c1ccc(cc1)CSc2cc(nc(n2)N)N	AX5	6-(benzylsulfanyl)pyrimidine-2,4-diamine
+COc1ccc(cc1)CSc2cc(nc(n2)N)N	AX6	6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine
+c1ccc2c(c1)[nH]c(n2)N	AX7	1h-benzimidazol-2-amine
+c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N	AX8	1-(3,4-dichlorobenzyl)-1h-benzimidazol-2-amine
+c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CCC[C@H]5CC(=O)N)C(=O)N3)NC(=O)CO2	AXA	(5s)-5-(2-amino-2-oxoethyl)-4-oxo-n-[(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide
+c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CS(=O)(=O)CC5)C(=O)N3)C[N@@](CC2)C6=C(C(=O)C6=O)N	AXB	n-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4h-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide
+Cc1nc2c3ccccc3nc(n2n1)SCc4[nH]c5ccccc5n4	AXC	5-(1h-benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
+CC1(CCN(CC1)c2cc(ccn2)C(=O)O)NCC(=O)N3[C@@H](CC[C@@H]3C#C)CN	AXD	2-[4-({2-[(2s,5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]isonicotinic acid
+C[C@H](c1cccc2c1cccc2)Nc3c4cc(c(cc4ncn3)OC)OC	AXE	6,7-dimethoxy-~{n}-[(1~{r})-1-naphthalen-1-ylethyl]quinazolin-4-amine
+CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1CSC\C=C\CS[C@H]2CCCN[C@H]2C(=O)N[C@H](C(=O)N1)C)O	AXF	(2r,4s)-n-butyl-4-hydroxy-2-methyl- 4-((e)-(4as,12r,15s,17as)-15-methyl -14,17-dioxo-2,3,4,4a,6,9,11,12,13, 14,15,16,17,17a-tetradecahydro-1h-5 ,10-dithia-1,13,16-triaza-benzocycl opentadecen-12-yl)-butyramide
+c1ccc(cc1)CN2CCC(CC2)n3cccc3	AXG	1-(phenylmethyl)-4-pyrrol-1-yl-piperidine
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cs3)c4ccccc4CNC)OC)OC	AXH	6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
+CNC(=O)c1ccccc1Sc2ccc3c(c2)n[nH]c3/C=C/c4ccccn4	AXI	axitinib
+CC1([C@H]2CC=C([C@@H]1C2)CN3CCC[C@@H]3CO)C	AXJ	[(2~{r})-1-[[(1~{r},5~{s})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol
+c1cc(cc(c1)[C@H](c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)[C@@H](O)P(=O)(O)O	AXK	[(~{s})-[4-[3-[(~{r})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccc(cc2)O)N)C(=O)O)C	AXL	2-{1-[2-amino-2-(4-hydroxy-phenyl)-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid
+C1C2CC3CC1CC(C2)(C3)CC(=O)NO	AXM	n-hydroxy-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
+CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCCC4)N(C(=O)C(=O)N3C)C	AXN	~{n}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
+C/C=N/O	AXO	(1e)-n-hydroxyethanimine
+CC(=O)N[C@@H]1[C@H](C[C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O	AXP	(1s)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-d-glycero-d-galacto-octitol
+CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@@H]([C@@H]1CSC\C=C\CSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)OC(C)(C)C)O	AXQ	{(e)-(3r,6s,9r)-3-[(1s,3r)-3-((s)-1 -butylcarbamoyl-2-methyl-propylcarb amoyl)-1-hydroxy-butyl]-6-methyl-5, 8-dioxo-1,11-dithia-4,7-diaza-cyclo pentadec-13-en-9-yl}-carbamic acid tert-butyl ester
+CO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O	AXR	methyl alpha-d-arabinofuranoside
+c1cc(ccc1CNC[C@H]2CCCO2)F	AXS	1-(4-fluorophenyl)-~{n}-[[(2~{r})-oxolan-2-yl]methyl]methanamine
+CC1=C(C(C[C@@H](C1=O)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C	AXT	astaxanthin
+Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccccc5)C(=O)NN=C4N)C	AXU	4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{h}-pyrazolo[3,4-d]pyridazin-7-one
+c1ccc2c(c1)[nH]c(n2)NC#N	AXV	1~{h}-benzimidazol-2-ylcyanamide
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3F	AXW	6-{[(3s,4s)-4-{2-[(2-fluorobenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C1CCc2c(c(c(s2)NC(=O)C3CC3)C(=O)N)C1	AXX	2-[(cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)Oc3ccc(cc3)c4ccccc4	AXY	(2s)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid
+c1cc(ccc1CCN)S(N[C@@H](CO)C(=O)O)(O)O	AXZ	2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid
+CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2ccc(cc2)OP(=O)(O)O	AY0	(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid
+CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)C(C)C	AY1	[(2r,3s,6s,7r,8r)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate
+CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)C(=O)C	AY2	~{n}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
+c1c[nH]nc1c2cc(cc(c2O)F)F	AY4	2,4-bis(fluoranyl)-6-(1~{h}-pyrazol-3-yl)phenol
+c1cc(cc(c1)[C@@H](c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)[C@@H](O)P(=O)(O)O	AY5	[(~{s})-[4-[3-[(~{s})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid
+Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)Cl	AY6	5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-n-(piperidin-1-yl)-1h-pyrazole-3-carboxamide
+c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4ccn[nH]4)OC(F)(F)Cl	AY7	asciminib
+c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2cccc(c2O)C3CCCCC3	AY8	[[3-(3-cyclohexyl-2-oxidanyl-phenyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid
+C1C(=O)C(=C[C@H](O1)CO)O	AY9	ascopyrone m
+C[C@@H](C(=O)O)NC(=O)C	AYA	n-acetylalanine
+CCCOC(=O)NCCCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	AYB	5'-o-[(s)-({(2s)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine
+C[C@H](C(=O)CCC(=O)O)NC(=O)C	AYC	alaremycin 2
+Cc1ncc(c(n1)N)CN/C(=C/CCO[P@@](=O)(O)OP(=O)(O)O)/C	AYD	4-{[(4'-amino-2'-methylpyrimidin-5'-yl)methyl]amino}pent-3-enyl diphosphate
+C=CCN	AYE	prop-2-en-1-amine
+C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N	AYG	[(4e)-2-[(1s)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(=O)C)O	AYH	(1r,3s)-3-[1-(acetylamino)-1-methylethyl]-n-[(1s,2s,4r)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O	AYI	(1r,2s,3r,1s',1s")phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester
+CS(=O)(=O)N(CC(=O)N)C1CCCCC1	AYJ	2-[cyclohexyl(methylsulfonyl)amino]ethanamide
+CC(C)NC(=O)C[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O	AYK	(3~{s})-3-[(1~{s},3~{a}~{s},4~{e},7~{a}~{s})-7~{a}-methyl-4-[(2~{z})-2-[(5~{s})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-3-oxidanyl-~{n}-propan-2-yl-butanamide
+c1cc(ccc1CCCO[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	AYL	5'-o-{(s)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine
+Cn1c2ccccc2cc1CN(C)C(=O)\C=C\c3ccc(nc3)N	AYM	3-(6-aminopyridin-3-yl)-n-methyl-n-[(1-methyl-1h-indol-2-yl)methyl]acrylamide
+c1ccc2c(c1)cc(n2c3cccc(c3)C(F)(F)F)C(=O)N	AYN	1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
+CC(C)(C)Cc1cc(no1)c2c(c(no2)[C@@H](CCC(=O)O)CC(=O)Nc3ccc(cc3Cl)Cl)C4CC4	AYO	(4s)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid
+CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)c2ccc(cc2)OP(=O)(O)O	AYQ	n~2~-({(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-d-glutaminyl-d-aspartamide
+c1cc2c(cc1/C=C/C=C/C(=O)N3CCCCC3)OCO2	AYR	(2e,4e)-5-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
+c1ccc(c(c1)C(=O)N)Nc2ccc(cc2)Cl	AYS	2-[(4-chlorophenyl)amino]benzamide
+CC(C)CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O	AYT	(1~{s},3~{z})-3-[(2~{e})-2-[(1~{s},3~{a}~{s},7~{a}~{s})-7~{a}-methyl-1-[(2~{s})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)O)O)O)N	AYU	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4s,5s,6r)-6-[(1s)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+CC(CO)(CO)NC(=O)Nc1ccccc1	AYV	1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea
+Cc1cc(cc2c1C(=O)CO2)O	AYW	4-methyl-6-oxidanyl-1-benzofuran-3-one
+c1cc(cc(c1)[N+](=O)[O-])NC(=O)Nc2ccc(cc2)S(=O)(=O)N	AYX	4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide
+c1cc(cc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F)CCC(=O)O	AYZ	3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid
+CCOC(=O)[C@H](CC(=O)N(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O	AZ0	ethyl (5s,8s,14s)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate
+C(CCCC(=O)O)CCCC(=O)O	AZ1	azelaic acid
+CCO[C@@H](Cc1ccc(cc1)OCCc2ccc(cc2)OS(=O)(=O)C)C(=O)O	AZ2	(2s)-2-ethoxy-3-[4-(2-{4-[(methylsulfonyl)oxy]phenyl}ethoxy)phenyl]propanoic acid
+[H]/N=C(/N)\c1ccc(cc1)OCCCCCCCOc2ccc(cc2)/C(=N\[H])/N	AZ3	4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide
+c1c(cnc(n1)N2CCN(CC2)S(=O)(=O)C[C@H](CCc3ncc(cn3)F)N(C=O)O)OCC(F)(F)F	AZ4	n-[(2s)-4-(5-fluoropyrimidin-2-yl)-1-({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)butan-2-yl]-n-hydroxyformamide
+Cc1cc([nH]n1)Nc2c(cnc(n2)N[C@@H](C)c3ncc(cn3)F)Cl	AZ5	5-chloro-n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(5-methyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine
+C[C@]1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCN(CC2)c3ncc(cn3)OCc4cccc(c4)C#N	AZ6	3-[({2-[4-({[(4s)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}sulfonyl)piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]benzonitrile
+c1cc(ccc1[C@@H](Cc2[nH]c3c(n2)cc(cc3Cl)Cl)CC(=O)O)Cl	AZ7	(3s)-3-(4-chlorophenyl)-4-(5,7-dichloro-1h-benzimidazol-2-yl)butanoic acid
+c1nc2c(nn1)NC(=O)NC2=O	AZ8	pyrimido[5,4-e][1,2,4]triazine-5,7(6h,8h)-dione
+CN1C(=O)c2c(nncn2)NC1=O	AZ9	6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6h,8h)-dione
+c12c([nH]nn1)NC(=O)NC2=O	AZA	8-azaxanthine
+CC(C)c1ccc(cc1)/N=N/c2ccc(cc2)O	AZB	4-{(e)-[4-(propan-2-yl)phenyl]diazenyl}phenol
+CC(=O)NC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	AZC	n-(acetylcarbamoyl)-beta-d-glucopyranosylamine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-]	AZD	3'-azido-3'-deoxythymidine-5'-diphosphate
+C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C	AZE	all-trans axerophthene
+C1[C@H]([C@@H]([C@H](NN1)CO)O)O	AZF	azafagomine
+c12c(nc(nc1O)N)nn[nH]2	AZG	5-amino-1h-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
+C(CN=[N+]=N)[C@@H](C(=O)O)N	AZH	azidohomoalanine
+[N-]=[N+]=[N-]	AZI	azide ion
+CCOC(=O)c1cc(c(nc1C)N2CCC(CC2)C(=O)NS(=O)(=O)Cc3ccccc3)C#N	AZJ	ethyl 6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyano-2-methylpyridine-3-carboxylate
+C(CCN=[N+]=[N-])C[C@@H](CO)N	AZK	(s)-2-amino-6-azidohexanoic acid
+CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NNCCCCN	AZL	1-ethoxycarbonyl-d-phe-pro-2(4-aminobutyl)hydrazine
+CC(=O)Nc1nnc(s1)S(=O)(=O)N	AZM	5-acetamido-1,3,4-thiadiazole-2-sulfonamide
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O	AZN	alizarin red
+CO\C=C(/c1ccccc1Oc2cc(ncn2)Oc3ccccc3C#N)\C(=O)OC	AZO	methyl (2z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate
+CCOC(=O)[C@H](CC(=O)N(CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)O	AZP	(5s,8s,14r)-ethyl 11-(3-amino-3-oxopropyl)-8-benzyl-14-hydroxy-5-isobutyl-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate
+CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C	AZQ	azapropazone
+C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NS(=O)(=O)O	AZR	2-({[(1z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2s,3s)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid
+C([C@@H](C(=O)O)N)OC(=O)C=[N+]=[N-]	AZS	o-diazoacetyl-l-serine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-]	AZT	3'-azido-3'-deoxythymidine-5'-triphosphate
+CC(C)(C)COC(=O)CSC1=NNC(=O)NC1=O	AZU	2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{h}-1,2,4-triazin-6-yl]sulfanyl]ethanoate
+CC(C)[C@H](C(=O)O)Nc1ccc(cc1)CNC(=O)C2N(CCS2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N	AZV	n-(4-{[({(2r)-3-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-d-valine
+c1cc(ccc1CO)/N=N/c2ccc(cc2)COP(=O)(O)O	AZW	4-{(e)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate
+C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2ccc(cc2)C(=O)N(C)C)(C(F)(F)F)O	AZX	4-[(3-chloro-4-{[(2r)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino}phenyl)sulfonyl]-n,n-dimethylbenzamide
+c1cc(c(cc1C[C@@H](C(=O)O)N)N=[N+]=[N-])O	AZY	3-azido-l-tyrosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]	AZZ	3'-azido-3'-deoxythymidine
+CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccccc3	B00	2-amino-3-methyl-6-[(1s,2r)-2-phenylcyclopropyl]pyrimidin-4(3h)-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccn3)Cl)N	B01	d-phenylalanyl-n-[(4-chloropyridin-2-yl)methyl]-l-prolinamide
+Cc1cccc(c1)c2ccc(cc2)[C@@H]3C[C@@H]3C4=CC(=O)N(C(=N4)N)C	B02	2-amino-3-methyl-6-[(1s,2r)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3h)-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccn3)N	B03	d-phenylalanyl-n-(pyridin-2-ylmethyl)-l-prolinamide
+C[n+]1ccccc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	B04	d-phenylalanyl-n-[(1-methylpyridinium-2-yl)methyl]-l-prolinamide
+c1ccc(cc1)COc2ccccc2NC(=O)c3cccc(c3)[N+](=O)[O-]	B05	n-[2-(benzyloxy)phenyl]-3-nitrobenzamide
+c1cc(cc(c1)N2Cc3cccc(c3C2=O)C(=O)O)C(F)(F)F	B06	3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{h}-isoindole-4-carboxylic acid
+B(CNC(=O)c1c(cccc1OC)OC)(O)O	B07	2,6 dimethoxybenzamidoboronic acid
+c1ccc(cc1)c2cccc(c2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O	B08	(1-hydroxy-1-phosphono-2-[1,1';3',1'']terphenyl-3-yl-ethyl)-phosphonic acid
+CONS(=O)(=O)c1ccccc1	B09	n-methoxybenzenesulfonamide
+c1ccc(cc1)OCC(=O)NC2CCCCC2	B0A	~{n}-cyclohexyl-2-phenoxy-ethanamide
+CC(=CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O)C	B0B	(1~{s},3~{z})-3-[(2~{e})-2-[(1~{s},3~{a}~{s},7~{a}~{s})-7~{a}-methyl-1-[(2~{s})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)NC(=O)CN3CCN(CC3)C	B0C	n-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide
+C([C@]1([C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)F)O	B0D	(2r,3s,4r,5r,6r)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol
+c1ccc2c(c1)-c3c(cc(cc3OC2=O)O)O	B0E	1,3-bis(oxidanyl)benzo[c]chromen-6-one
+Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C)NC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7	B0F	(4r)-3-[(2s,3s)-3-[2-[4-[5-[(3as,4s,6ar)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+c1ccc(cc1)COC(=O)N2CCC(CC2)O	B0G	(phenylmethyl) 4-oxidanylpiperidine-1-carboxylate
+Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3C[C@@H](C[C@@H](C3)C)C	B0H	~{n}-[4-[[(3~{s},5~{r})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
+Cc1cccc(c1)c2cccc(c2)C	B0I	3,3'-dimethyl-1,1'-biphenyl
+CC1(C[C@H](CCO1)NCc2ccc(cc2)O)C	B0J	4-[[[(4~{s})-2,2-dimethyloxan-4-yl]amino]methyl]phenol
+c1nc2c(n1CCCN)c(c(c(c2Br)Br)Br)Br	B0K	3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine
+C/C=C/C=C/CCC[C@H](C)C(=O)C1=C(C(=CNC1=O)c2ccccc2)O	B0L	4-hydroxy-3-[(2s,6e,8e)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1h)-one
+CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2	B0M	1~{h}-indol-6-yl-(4-methylpiperazin-1-yl)methanone
+Cn1c2cc(ccc2nn1)Cc3cccc(c3)CO	B0N	[3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol
+C/C=C/[C@@H]1[C@H]2CCC[C@@H]([C@H]2C3=C(O1)C(=CNC3=O)c4ccccc4)C	B0O	(6r,6as,10s,10ar)-10-methyl-4-phenyl-6-[(1e)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1h-[2]benzopyrano[4,3-c]pyridin-1-one
+Cn1c2cc(ccc2nn1)NC(=O)c3nccn3Cc4ccccc4	B0Q	~{n}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c([nH]nc3nc2)OC)F	B0R	2,6-difluoro-n-(3-methoxy-2h-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide
+B(CCCCCCCCCCCCC)(O)O	B0S	tridecylboronic acid
+CC[C@H](C)NC(=O)c1ccccc1CN(C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O	B0T	(2s)-6-[[[2-[[(2s)-butan-2-yl]carbamoyl]phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+C(COCCOCCOCCN)C(=O)O	B0U	3-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]propanoic acid
+Cc1cc(c(c(c1)C)NC(=O)COC)C	B0V	2-methoxy-~{n}-(2,4,6-trimethylphenyl)ethanamide
+c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O	B0W	4-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{h}-1,2,4-triazol-3-yl]benzoic acid
+Cc1ccc(c(n1)C)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C	B0X	3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
+CCc1ccc(s1)C(=O)NCc2cnn(c2)C	B0Y	5-ethyl-~{n}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
+c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(F)(F)F	B0Z	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
+CC(C)(C)c1cc(c(c(c1)NS(=O)(=O)C)OC)NC(=O)Nc2ccc(c3c2cccc3)c4ccc(nc4)CN5CCOCC5	B10	n-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide
+c1ccc(c(c1)CNC2CCN(CC2)S(=O)(=O)Nc3cccc(c3)Oc4ccc(cc4)F)O	B11	n-[3-(4-fluorophenoxy)phenyl]-4-[(2-hydroxybenzyl)amino]piperidine-1-sulfonamide
+Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O	B12	cobalamin
+CC1=C2[C@@]([C@@H](C3=CC4C([C@@H](C5=C(C6[C@]([C@H]([C@H]7N6[Co](N45)(N32)N8C1[C@H]([C@]([C@]78C)(C)CC(=O)N)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@@](=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)O)CO)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N	B13	5-hydroxybenzimidazolylcob(iii)amide
+c1cc(ncc1C(=O)N2CCC3(CC2)Nc4c(ccc(c4C(=N3)N)F)F)C#N	B14	1-(6-cyano-3-pyridylcarbonyl)-5',8'-difluorospiro[piperidine-4,2'(1'h)-quinazoline]-4'-amine
+c1cc(ccc1CCNC(=O)c2ccc(cc2)CN3CC(=O)O[Cu]OC(=O)C3)S(=O)(=O)N	B15	[2,2'-({4-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonyl]benzyl}imino)diacetato(2-)-kappao]copper
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O	B16	1,6-di-o-phosphono-beta-d-glucopyranose
+c1cc(ccc1C(=O)NCCOCCOCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N	B17	{1-[4-(aminosulfonyl)phenyl]-11-[(carboxy-kappao)methyl]-1-oxo-5,8-dioxa-2,11-diazatridecan-13-oato(2-)-kappao~13~}copper
+C[C@H]1CNC(=O)c2c1c3cc(ccc3[nH]2)C(=O)Nc4nc(cs4)C(=O)NCCN(C)C	B18	(4r)-n-[4-({[2-(dimethylamino)ethyl]amino}carbonyl)-1,3-thiazol-2-yl]-4-methyl-1-oxo-2,3,4,9-tetrahydro-1h-beta-carboline-6-carboxamide
+CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNS(=O)(=O)N)C	B19	n-{[(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl}sulfamide
+CC(=O)Nc1ccc(cc1)Nc2ccccc2	B1A	~{n}-(4-phenylazanylphenyl)ethanamide
+CC(C)C[C@@H](C(=O)NO)NC(=O)NCc1ccccc1Cl	B1B	(2s)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O	B1C	n-(tert-butoxycarbonyl)-l-tyrosine
+Cc1ccc(cc1Nc2ccc3c(c2)C(=O)N(C=N3)C)NC(=O)c4cccc(c4)C(C)(C)C#N	B1E	3-(2-cyanopropan-2-yl)-n-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide
+B([C@H](Cc1ccccc1)N)(O)O	B1F	phenylalanine boronic acid
+c1cc(ccc1c2nc([nH]n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[N+](=O)O	B1H	(1s)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1h-1,2,4-triazol-5-yl)-d-glucitol
+c1cc(cc(c1)F)N2CCC[C@H](C2)Nc3cc(ncn3)N4CCOCC4	B1I	n-[(3r)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine
+c1cc(ccc1n2cc(nn2)CO)Cl	B1J	[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol
+COc1ccc(cc1)c2[nH]nc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	B1K	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
+c1cc(ccc1C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c3ccc(cc3)O)O	B1L	3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-hydroxybenzoate
+CC1=C2[C@]([C@H](C3=[N+]2[Co]45[N+]6=C1[C@H](C(C6=CC7=[N+]4C(=C(C8=[N+]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@](=O)([OH-])O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO	B1M	co-5-methoxybenzimidazolylcobamide
+c1cc(ccc1c2nc([nH]n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	B1N	(1s)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1h-1,2,4-triazol-5-yl]-d-glucitol
+Cc1ccc(c(n1)C)Oc2ccc3c(c2F)n(c(n3)COc4cccc(c4)C(=O)O)C	B1O	3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
+C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O	B1P	2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranose
+COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)N4C[C@H](CC4=O)CF)N	B1Q	(4s)-1-[(2s,3s,11bs)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)C34C5=C6[Ru]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2	B1R	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2	B1S	(1r,2s)-2-({n-[(benzyloxy)carbonyl]-l-leucyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl	B1T	2,2'-sulfanediylbis(4,6-dichlorophenol)
+c1ccc(c(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[N+](=O)[O-]	B1U	5'-o-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine
+c1c(nc(nc1O)SCC(=O)N2CCCCC2)C(F)(F)F	B1V	2-[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]-6-(trifluoromethyl)pyrimidin-4-ol
+c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N	B1W	(2~{s},3~{r},4~{r},5~{s},6~{r})-2-[5-(4-aminophenyl)-4~{h}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
+c1cc(cc(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C#N	B1X	5'-o-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine
+C1CNC(=O)[C@@H]1C[C@@H]([C@H](O)S(=O)(=O)O)N	B1Y	(1r,2s)-2-amino-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+Cc1cc2c(cc1C)N3C=[N]2[Co]456([N]7=C8C(=C9[N]4=C(C=C1[N]5=C(C(=C2N6C(C7C(C8(CCC(=O)NCC(OP(=O)(OC4C(OC3C4O)CO)O)C)C)CC(=O)N)(C(C2CCC(=O)N)(C)CC(=O)N)C)C)C(C1CCC(=O)N)(C)CC(=O)N)C(C9CCC(=O)N)(C)C)C)CC1C(C(C(O1)n1cnc2c1ncnc2N)O)O	B1Z	adenosylcobalamin
+c1cc2c(c(c1)F)C(=N[C@@H](N2)c3cccs3)N	B2	(2r)-5-fluoro-2-(2-thienyl)-1,2-dihydroquinazolin-4-amine
+B1C=CC=CN1	B20	1,2-dihydro-1,2-azaborinine
+COc1ccccc1c2ccc(o2)C(=O)O	B21	5-(2-methoxyphenyl)-2-furoic acid
+c1cc(cc(c1)NC(=O)CN2CC(=O)O[Cu]OC(=O)C2)C(=O)NCCc3ccc(cc3)S(=O)(=O)N	B22	[2,2'-{[2-({3-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonyl]phenyl}amino)-2-oxoethyl]imino}diacetato(2-)-kappao]copper
+c1ccc(c(c1)c2ccc(o2)C(=O)O)[N+](=O)[O-]	B23	5-(2-nitrophenyl)-2-furoic acid
+B1C=CC=CN1CC	B24	1-ethyl-1,2-dihydro-1,2-azaborinine
+[H]/N=C(/c1cc2cc(ccc2[nH]1)[N+](=O)[O-])\N	B25	5-nitro-1h-indole-2-carboximidamide
+Cc1cc(ccc1Br)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c3cccc(c3)I)C(=O)N[C@H](CNC(=O)Cc4ccc(c(c4)OC)O)C(=O)N	B26	n-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-d-alaninamide
+C[C@H]([C@@H](CS)N)O	B27	(2r,3s) 3-amino-4-mercapto-2-butanol
+c1ccc(cc1)c2ccc(cc2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O	B28	(1-hydroxy-1-phosphono-2-[1,1';4',1'']terphenyl-3-yl-ethyl)-phosphonic acid
+c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O	B29	[2-(3-dibenzofuran-4-yl-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid
+B([C@H](C)N)(O)O	B2A	alanine boronic acid
+CC/C(=C\CC[C@H](C)C[C@@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C)[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)O)O)/C=C/C(=O)O	B2B	(2z)-2-[(1r)-3-{[(1r,2s,3r,6s,7s,10s,12s,15e,17e)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)Br)O)/C(=O)N1CC(=O)O)N)O	B2C	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+COc1cc2c(c(ccn2)NCc3nnc4n3nc(cc4)c5ccccc5)nc1	B2D	7-methoxy-n-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
+CN1C(=C(C(=O)N(C1=O)C)C(=O)NCC(=O)O)O	B2E	(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine
+B([C@H](Cc1ccccc1)N)(O)O	B2F	phenylalanine boronic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	B2G	galactobiose
+C[C@H]([C@@H](c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2cccc3)N)O	B2H	chromophore (thr, trp, gly)
+B([C@H]([C@H](C)CC)N)(O)O	B2I	isoleucine boronic acid
+CCSc1nc(nc(n1)N)C	B2J	4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine
+Cc1ccc(cc1)S(=O)(=O)c2cc(nc(n2)N)C	B2K	4-methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine
+Cc1cc(nc(n1)N)c2ccc3c4c2cccc4COC3	B2L	4-(1h,3h-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine
+Cc1cc(c2cc(ccc2n1)Br)C(=O)N/N=C\c3cc(cc(c3O)Cl)Cl	B2M	6-bromo-n'-[(1z)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide
+C([C@@H](CN)C(=O)O)C(=O)N	B2N	(2s)-4-amino-2-(aminomethyl)-4-oxobutanoic acid
+CC(C)(C(=O)O)Br	B2P	2-bromo-2-methylpropanoic acid
+CCCC[C@@H]1C[N@@]2CCc3cc(c(cc3[C@H]2C[C@@H]1N)OC)OC	B2Q	(2s,3r,11br)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-amine
+Cc1ccc2ccc(nc2n1)NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(nc4n3)C	B2R	3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{n}-(7-methyl-1,8-naphthyridin-2-yl)carbamate
+CC1=C[C@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO	B2S	(3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
+CSc1nc(nc(n1)N)c2ccccc2Cl	B2T	4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine
+C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@H](Cc3ccccc3)C(=O)O)Cl	B2U	n-[(3r)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1h-2-benzopyran-7-carbonyl]-d-phenylalanine
+B([C@H](C(C)C)N)(O)O	B2V	valine boronic acid
+C1CN=C(C=CN1)C(F)(F)F	B2W	5-(trifluoromethyl)-2,3-dihydro-1~{h}-1,4-diazepine
+CSc1nc(nc(n1)N)c2c3cccc4c3c(cc2Cl)COC4	B2X	4-(5-chloro-1h,3h-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine
+c1ccc(cc1)c2ccccc2CN	B2Y	1-biphenyl-2-ylmethanamine
+C[C@@H](CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)N2)c3ccccc3F	B2Z	(3-(2-fluorophenyl)-n-(1-(2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)ethyl)butanamide)
+c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N	B30	{2,2'-[(2-{[4-(aminosulfonyl)benzoyl]amino}ethyl)imino]diacetato(2-)-kappao}copper
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N	B31	(2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-2-hydroxy-3-(beta-d-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide
+CCCCCCCCCCNCCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	B32	5'-s-[2-(decylamino)ethyl]-5'-thioadenosine
+CCCNCCCNCCCNCC	B33	n-ethyl-n-[3-(propylamino)propyl]propane-1,3-diamine
+CC(C)[C@H]1C(=C(C(=O)N1Cc2ccccc2)C3=NS(=O)(=O)c4c3cccc4)O	B34	(5s)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2h-pyrrol-2-one
+COc1ccc(cc1C[C@@H](c2ccc(c(c2)F)OC)c3c[nH]c(n3)N)[N+](=O)[O-]	B35	4-[(1s)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1h-imidazol-2-amine
+Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4c5ccccc5cc6c4cccc6	B36	6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline
+Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6	B37	4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline
+Cc1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cccc5c4[nH]nc5	B38	1'-(1h-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3h)-one
+c1ccc2c(c1)CC[C@@H]2Nc3c4ccn(c4ncn3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	B39	[(1s,2s,4r)-4-{4-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-7h-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate
+C[C@@H](CC(=O)O)N	B3A	(3s)-3-aminobutanoic acid
+c1ccc(cc1)c2csc(n2)N/N=C/c3ccccc3C=O	B3B	2-{(e)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde
+Cc1ccc(cc1)CO[C@@H]2C[C@H](N(C2)C(=O)[C@@H](CCc3ccccc3)NC(=O)OCc4ccccc4)C(=O)N[C@@H](CCCCN)[C@@H](c5nc6ccccc6o5)O	B3C	benzyl [(1r)-1-({(2s,4r)-2-({(1s)-5-amino-1-[(s)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate
+C(C(CC(=O)O)N)C(=O)O	B3D	3-aminopentanedioic acid
+C(CC(=O)O)[C@@H](CC(=O)O)N	B3E	(3s)-3-aminohexanedioic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCCc2cccc(c2)Cl	B3G	(1r,2s)-2-[(n-{[2-(3-chlorophenyl)ethoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC	B3H	(2s)-2-(butyryloxy)-3-hydroxypropyl nonanoate
+c1c(cc(c(c1C(=O)O)I)I)I	B3I	2,3,5-triiodobenzoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3	B3J	(1s,2s)-2-{[n-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C(CCN)C[C@@H](CC(=O)O)N	B3K	(3s)-3,7-diaminoheptanoic acid
+CC(C)C[C@@H](CC(=O)O)N	B3L	(3s)-3-amino-5-methylhexanoic acid
+CSCC[C@@H](CC(=O)O)N	B3M	(3r)-3-amino-5-(methylsulfanyl)pentanoic acid
+CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO	B3N	4-(dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide
+C[C@H]1CCC[C@@H]2[C@@H]1[C@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4	B3O	(1r,2r,4as,8s,8ar)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2h,2'h-spiro[naphthalene-1,3'-pyridine]-2',4'(1'h)-dione
+C(CNC(CO)(CO)CO)CNC(CO)(CO)CO	B3P	2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol
+C(CC(=O)N)[C@@H](CC(=O)O)N	B3Q	(3s)-3,6-diamino-6-oxohexanoic acid
+c1cc(cc(c1)Br)O	B3R	3-bromophenol
+C([C@H](CO)N)C(=O)O	B3S	(3r)-3-amino-4-hydroxybutanoic acid
+C[C@H]([C@@H](CC(=O)O)N)O	B3T	3-amino-2,3,5-trideoxy-d-threo-pentonic acid
+c1c([nH]c(n1)N)C[C@@H](C(=O)O)N	B3U	2-amino-l-histidine
+CCN(CC)CCNS(=O)(=O)c1cccc(c1)OC	B3V	n-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide
+CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Cl	B3W	4-chloranyl-n-[2-(diethylamino)ethyl]benzenesulfonamide
+C([C@@H](CC(=O)O)N)C(=O)N	B3X	(3s)-3,5-diamino-5-oxopentanoic acid
+c1cc(ccc1C[C@@H](CC(=O)O)N)O	B3Y	(3s)-3-amino-4-(4-hydroxyphenyl)butanoic acid
+CCN(CC)CCNS(=O)(=O)c1ccccc1F	B3Z	n-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide
+C[C@@H](Cc1ccccc1)NC	B40	(2s)-n-methyl-1-phenylpropan-2-amine
+C[C@@H](Cc1ccc2c(c1)OCO2)NC	B41	(2s)-1-(1,3-benzodioxol-5-yl)-n-methylpropan-2-amine
+CC(C)CC[C@@]1(CN(C(=O)C(=C1O)C2=NS(=O)(=O)c3cc(ccc3N2)NS(=O)(=O)C)C4CCCC4)C	B42	n-{3-[(5r)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	B43	4-amino-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane
+c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O	B44	n-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate)
+CC(C)N1CCC(CC1)c2cc(c3c(c2)N(C(=O)NC3)c4c(cccc4Cl)Cl)c5ccc(cc5Cl)F	B45	5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1h)-one
+C#CCOC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3cccnc3)N4CCCCC4	B46	prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1h-pyrazol-3-yl]methyl}carbamate
+COC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3ccccc3)N4CCC(CC4)O	B47	methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1h-pyrazol-3-yl}methyl)carbamate
+Cc1c(sc(n1)c2cccs2)c3cc(n[nH]3)SC	B48	4-methyl-5-[3-(methylsulfanyl)-1h-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole
+CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C	B49	n-[2-(diethylamino)ethyl]-5-[(z)-(5-fluoro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-2,4-dimethyl-1h-pyrrole-3-carbo xamide
+c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5ccccc5	B4A	2-phenyl-n-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	B4B	5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
+c1ccc(cc1)CC[C@@H](C(=O)N[C@@H](CCCCN)[C@@H](c2nc3ccccc3o2)O)NC(=O)[C@H](CCCCN)NC(=O)OCc4ccccc4	B4C	benzyl [(1s)-5-amino-1-{[(1s)-1-({(1s)-5-amino-1-[(s)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-3-phenylpropyl]carbamoyl}pentyl]carbamate
+C=CCSC[C@H]1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl	B4D	(3s)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+c1cn2c3c(cn2)-c4cc(cc(c4)Cl)OCCOCCNc1n3	B4E	cyclical inhibitor od36
+c1cc(c(cc1C(=O)NCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O	B4F	biotin-4-fluorescein
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	B4G	galactotriose
+C=NC(=O)c1cccc(c1)[N+](=O)[O-]	B4H	n-methylidene-3-nitrobenzamide
+CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)CNC(=O)c4ccc(c(c4)OC)OC)C1	B4J	3,4-dimethoxy-n-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide
+CC(=O)Nc1c2ccc(nc2[nH]n1)c3ccc(c(c3)O)O	B4K	~{n}-[6-[3,4-bis(oxidanyl)phenyl]-1~{h}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide
+CN1CCC[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C	B4L	3-methyl-2-[[(3~{r})-1-methylpiperidin-3-yl]amino]-5~{h}-pyrrolo[3,2-d]pyrimidin-4-one
+C(Br)(Br)Br	B4M	tris(bromanyl)methane
+c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-]	B4N	bis(4-nitrophenyl) hydrogen phosphate
+CC1=CC(=O)N(C(=C1)C2CCCCC2)O	B4O	6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	B4P	bis(adenosine)-5'-tetraphosphate
+CCc1ccccc1c2ccc(cc2C)CNCCc3[nH]c4ccccc4n3	B4Q	2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine
+B(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CCO[C@@H]4[C@H]3CCO4)O)CC(C)C)(O)O	B4R	{4-[{(2r,3s)-3-[({[(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid
+c1cc(ccc1c2ccc(c(c2)F)C(F)(F)F)S(=O)(=O)N	B4S	3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	B4T	mono-pegylated sulfonatocalix[4]arene
+Cc1c(nnn1c2c(non2)N)C(=O)NCc3cccc(c3)C(=O)Nc4nc5c(s4)CN(CC5)C	B4V	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-n-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1h-1,2,3-triazole-4-carboxamide
+c1ccc2c(c1)c(nc(n2)c3ccccc3O)N[C@H]4CCNC4	B4W	2-{4-[(3s)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	B4X	di-pegylated sulfonatocalix[4]arene
+CN(C)[C@H]1CCc2c(sc(n2)NC(=O)c3cccc(c3)[C@H]4CCCN4C(=O)Nc5cccc(c5)C#N)C1	B4Y	(2r)-n-(3-cyanophenyl)-2-(3-{[(6s)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl}phenyl)pyrrolidine-1-carboxamide
+c1ccc(cc1)CNCCNS(=O)(=O)c2cccc3c2ccnc3	B4Z	~{n}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide
+CN1CCN(CC1)CCCNC(=O)c2c(c(cn2CC[C@@H](CO)O)c3ccc(cc3)Cl)c4ccccc4	B50	4-(4-chlorophenyl)-1-[(3s)-3,4-dihydroxybutyl]-n-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1h-pyrrole-2-carboxamide
+[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45	B51	nickel/iron/sulfur cluster
+C[C@H](C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C)C(=O)O	B52	(2r)-2-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
+C1(=C(N=C(NC1=O)N)N)N=O	B53	2,6-diamino-5-nitrosopyrimidin-4(3h)-one
+c1cc(ccc1C(=O)O)OCCCNC2=C(C(=O)NC(=N2)N)N=O	B54	4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydropyrimidin-4-yl)amino]propoxy}benzoic acid
+c12c([nH]c(n1)S)N=C(NC2=O)N	B55	2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one
+CN1CC(=NC2=C1N=C(NC2=O)N)C(=O)O	B56	2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid
+C1(=C(N=C(NC1=O)N)N)[N+](=O)[O-]	B57	2,6-diamino-5-nitropyrimidin-4(3h)-one
+c1[nH]c2c(n1)c(nnc2N)N	B58	1h-imidazo[4,5-d]pyridazine-4,7-diamine
+CN1C2=C(C(=O)N(C1=O)C)N=C(C(=O)N2)C=O	B59	1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde
+c1c2c(ncnc2n(n1)CC3CCNCC3)N	B5A	1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)Cc1c(ncn1CCCn2ccnc2)c3ccccc3	B5B	1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole
+CC(=O)Oc1ccc2c(c1)SC(=O)O2	B5C	2-oxo-2h-1,3-benzoxathiol-5-yl acetate
+C[C@H]1Nc2ccc(cc2S(=O)(=O)N1)Cl	B5D	(3s)-7-chloro-3-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3	B5E	2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine
+c1c(cc(cc1OP(=O)(O)O)OP(=O)(O)O)c2c(cc(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	B5F	biphenyl 2,3',4,5',6-pentakisphosphate
+CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)[C@H]4CCCN4C(=O)Nc5cccc(c5)C#N)C1	B5G	(2r)-n-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide
+c1cc(cc(c1)Br)/C=C\2/C(=O)NC(=O)N2	B5H	(5z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione
+C[P+](c1ccccc1)(c2ccccc2)c3ccccc3	B5J	methyltriphenylphosphonium
+CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3cc(c(c(c3)F)F)F)C=O	B5K	3-[(1~{r})-2-(~{tert}-butylamino)-1-[methanoyl-[[3,4,5-tris(fluoranyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]-6-chloranyl-1~{h}-indole-2-carboxylic acid
+C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+]	B5L	n~1~,n~1~,n~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium
+Cc1cccc(c1C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	B5M	9-(5-o-{(s)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine
+Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(cc3)F	B5N	[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone
+CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cc(ccc4F)CO)F)C(=O)C1	B5O	(6r)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5h-benzotriazol-4-one
+CC(C)CCN1c2nccn2C(=C(C1=O)C3=NS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O	B5P	n-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+CNCc1ccccc1c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4	B5Q	[2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
+C[C@](COc1ccc(c(c1)F)Cl)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O	B5R	(2s)-3-(4-chloro-3-fluorophenoxy)-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
+COc1cc(cc(c1)O)Nc2ccc(c(c2)OCCC[NH3+])C(=O)Nc3ccccc3	B5S	3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium
+c1cc(cnc1)c2c[nH]c3c2cc(cn3)c4ccc(cc4)S(=O)(=O)N	B5T	4-(3-pyridin-3-yl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
+Cc1ccc(cc1C)c2cnc(c(n2)C(=O)N)Nc3ccc(cc3)OCCCN4CCN(CC4)C	B5U	6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide
+c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	B5V	9-(5-o-{(s)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine
+c1ccc(cc1)CCC[NH2+]Cc2ccc(c(c2)Cl)c3ccccc3	B5W	(3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium
+CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cccc(c4)N(C)C)F)C(=O)C1	B5X	(6r)-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5h-benzotriazol-4-one
+Cc1ccc(c(c1)C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	B5Y	9-(5-o-{(s)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine
+c1cc(cc(c1)NC(=O)NCCN2CCOCC2)c3ccc4c(n3)sc(n4)NC(=O)C5CC5	B5Z	~{n}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
+CN1CC=NC2=C1N=C(NC2=O)N	B60	2-amino-8-methyl-7,8-dihydropteridin-4(3h)-one
+CC(C)(CC1=NC2=C(N=C(NC2=O)N)N(C1)C)O	B61	2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3h)-one
+C[C@@H]1CNC2=C(N1)C(=O)NC(=N2)N	B62	(6r)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3h)-one
+c1cc(ccc1C(=O)O)NCCC2=NC3=C(NC2)N=C(NC3=O)N	B63	4-{[2-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)ethyl]amino}benzoic acid
+COC(=O)c1c(cc(s1)c2cccs2)NC(=O)C=CC(=O)O	B64	4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid
+c1ccc(cc1)Oc2cccc(c2)CCC[C@H](P(=O)(O)O)S(=O)(=O)O	B65	(1r)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid
+C[C@](COc1ccc(cc1)[N+](=O)[O-])(C(Nc2ccc(c(c2)C(F)(F)F)C#N)O)O	B66	4-{[(1r,2s)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile
+C[C@](COc1c(c(c(c(c1F)F)F)F)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O	B67	(2s)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide
+CC(=O)Nc1ccc(cc1)OC[C@@](C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O	B68	(2s)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
+CCCCc1ccc(cc1)c2ccc(cc2)CCC[C@H](P(=O)(O[K])O[K])S(=O)(=O)O[K]	B69	tripotassium (1r)-4-(4'-butylbiphenyl-4-yl)-1-phosphonatobutane-1-sulfonate
+c1ccc(cc1)C(=O)c2ccc3c(c2)n(c(n3)N)CC4CCNCC4	B6A	[2-amino-1-(piperidin-4-ylmethyl)-1h-benzimidazol-6-yl](phenyl)methanone
+COc1ccc(cc1c2cnc(c(n2)C(=O)c3cccnc3)N)N	B6B	[3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone
+Cc1c(c(n[nH]1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)NO)Cl	B6C	2-{[2,6-dichloro-4-(3,5-dimethyl-1h-pyrazol-4-yl)phenyl]amino}-n-hydroxybenzamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)NC(=O)C	B6D	2,4-bisacetamido-2,4,6-trideoxy-beta-d-glucopyranose
+c1cc(oc1)C(=O)Nc2[nH]c3ccc(cc3n2)Oc4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F	B6E	~{n}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{h}-benzimidazol-2-yl]furan-2-carboxamide
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)C34C5=C6[Fe]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2	B6F	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{6-[(6-{[5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}hexanoyl)amino]hexanoyl}cyclopentadienyl]iron
+CC(C)[C@@H](C(=O)OP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	B6G	(2s)-2-amino-3-methylbutanoyl (2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (s)-phosphate
+CCC(=O)Nc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3OC)N4CCN(CC4)C)N	B6H	~{n}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
+c1cc(cc(c1)O)c2c(nc3c(n2)c(nc(n3)N)N)c4cccc(c4)O	B6J	3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol
+c1c(cc(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)c2cc(c(c(c2)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	B6K	biphenyl 3,3',4,4',5,5'-hexakisphosphate
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)c3ccc(cc3F)C(C(F)(F)F)(C(F)(F)F)O	B6L	2-[4-(ethylsulfonyl)phenyl]-n-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide
+C1[C@H]([C@@H]([C@@H]([C@@H]([C@@H]1N)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@@H](O4)CN)O)O)N)O)O)N	B6M	(1r,2s,3s,4r,6r)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-alpha-l-altropyranosyl)-beta-l-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-allopyranoside
+c1cc2c(cc1c3c[nH]nc3)c4c(cn2)C=CC(=O)N4c5ccc(cc5C(F)(F)F)F	B6N	1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{h}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
+CN(C)c1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F	B6O	3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	B6P	p1,p6-di(adenosine-5') hexaphosphate
+CCC(=O)Nc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)N4CCN(CC4)C)N	B6Q	~{n}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
+COc1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F	B6R	3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione
+c1cc2c(cc1S(=O)(=O)O)scn2	B6S	1,3-benzothiazole-6-sulfonic acid
+CC(C)c1c(c2ncc(n2nc1c3ccccc3)C#N)O	B6T	8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile
+c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cc(ccc5F)CO)F)C2=O	B6U	3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione
+CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCNC(=O)CCl	B6W	2-chloranyl-~{n}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{h}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide
+CCCCCC[C@H](CC(=O)O)SCC(=O)O	B6X	(3r)-3-[(carboxymethyl)sulfanyl]nonanoic acid
+CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S(=O)(=O)O	B6Y	(1r,2s)-2-{[n-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nc(c(s3)C(=O)c4ccccc4)N	B6Z	[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone
+c1ccc(cc1)c2ccc(cc2)CCC[C@H](P(=O)(O[K])O[K])S(=O)(=O)O[K]	B70	tripotassium (1r)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate
+CCCCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	B71	3-(decyloxy)-1-(2,2-diphosphonoethyl)pyridinium
+Cc1cc(cc(c1Cc2ccc(c(c2)C(C)C)O)C)OCC(=O)O	B72	{4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
+CCCCCCCCCCCCn1cc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	B73	3-(2,2-diphosphonoethyl)-1-dodecyl-1h-imidazol-3-ium
+Cc1cccc(c1)CO	B74	(3-methylphenyl)methanol
+c1ccc2cc(ccc2c1)S(=O)(=O)Nc3cccc(c3)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O	B75	1-hydroxy-2-[3'-(naphthalene-2-sulfonylamino)-biphenyl-3-yl]ethylidene-1,1-bisphosphonic acid
+c1ccc(cc1)c2cccc(c2)c3cccc(c3)OCC(O)(P(=O)(O)O)P(=O)(O)O	B76	[1-hydroxy-2-(1,1':3',1''-terphenyl-3-yloxy)ethane-1,1-diyl]bis(phosphonic acid)
+Cc1ccc(c(c1)OCc2ccccn2)OC	B77	2-[(2-methoxy-5-methylphenoxy)methyl]pyridine
+Cc1ccc(cc1OCc2ccncc2)OC	B78	4-[(5-methoxy-2-methylphenoxy)methyl]pyridine
+CN(C)C[C@@H]1[C@@H]([C@H]2N1CCCCN(C2)C(=O)Nc3ccc(cc3)OC)c4ccc(cc4)C#Cc5ccccc5	B79	(8r,9s,10s)-10-[(dimethylamino)methyl]-n-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	B7A	2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate)
+CN1c2cnc(nc2N([C@@H]3CCC[C@@H]3C1=O)C4CCCC4)Nc5ccc(cc5)C(=O)N	B7B	4-[[(3~{r},7~{s})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide
+C1C=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	B7C	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7,8-dihydropyrido[2,3-d]pyrimidin-2(3h)-one
+c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl	B7D	(3r)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+C[C@H]1C[C@@]2(CC[C@@H]1OC)Cc3ccc(cc3[C@@]24COC(=N4)N)c5cncnc5	B7E	compound 28
+C(C(C(C(F)(F)F)(F)F)(F)F)O	B7F	2,2,3,3,4,4,4-heptafluorobutan-1-ol
+CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	B7G	heptyl beta-d-glucopyranoside
+Cc1c(n[nH]c1c2cc3c(c(c2)F)NC(=O)C3(C)C)C#N	B7H	5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1h-indol-5-yl)-4-methyl-1h-pyrazole-3-carbonitrile
+c1cc(ccc1c2[nH]ccn2)OCCCCCCCOc3ccc(cc3)c4[nH]ccn4	B7I	2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1h-imidazole)
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	B7J	2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate)
+CC(C)C1C(=Nc2c(cnn2C1=O)C#N)c3cnn(c3)C4CCN(CC4)C(=O)C=C	B7K	7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1cc2cc(oc2c(c1)C(=O)O)CNC(=O)c3cnn4c3nccc4	B7L	2-({[(8r)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid
+CCC\C=C/C=C/CCCCCCCCC=O	B7M	(10e,12z)-hexadeca-10,12-dienal
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C/CCCCCCCC	B7N	(1r)-2-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate
+CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc4c(c3)OCCO4	B7O	~{n}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	B7P	2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate)
+CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C4CCN(CC4)C(=O)CCl	B7Q	5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1c(cc2c(c1O)C(=O)C=CO2)O	B7S	5,7-dihydroxy-4h-1-benzopyran-4-one
+Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)C5(C3)CCC(CC5)OC	B7T	(1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'h-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine
+C[C@@H](c1ccccc1)C(=O)N[C@H](C)c2ccccc2	B7U	(2s)-2-phenyl-n-[(1r)-1-phenylethyl]propanamide
+COc1cc(ccc1Cl)Nc2c(cn(n2)[C@H]3COCC[C@@H]3C#N)C(=O)N	B7V	3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3r,4s)-4-cyanooxan-3-yl]-1h-pyrazole-4-carboxamide
+c1cc(cc(c1)N)c2cc3c(c[nH]c3nc2)c4cccnc4	B7W	3-(3-pyridin-3-yl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)aniline
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC(=O)O)O	B7X	(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)
+CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4	B7Z	8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CC[C@H]1CC(=C(C(=O)N1Cc2ccc(cc2)F)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C)O	B80	n-{3-[(6s)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C	B81	(3alpha,8alpha,17beta)-androst-5-ene-3,17-diol
+CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc2ccccc2C(=O)O	B82	2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid
+C[C@@H]1C[C@@H](CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(=O)O)C	B83	2-[({4-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-phenoxyphenyl}carbonyl)amino]benzoic acid
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)[C@@H](CC3CCCC3)C(=O)Nc4nc5ccc(nc5s4)OC	B84	(2r)-3-cyclopentyl-n-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide
+c1ccc(cc1)CP(=O)(O)O	B85	benzylphosphonic acid
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)O	B86	2'-deoxy-5-fluorocytidine
+c1ccc2c(c1)cc(s2)c3cc(ncn3)N4CCN(CC4)CC(=O)N5CCCC5	B87	4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine
+C[C@H](N)[P@](=O)(C[C@@H](CC(=O)O)C(=O)O)O	B88	(2s)-2-{[(s)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid
+CC/C(=N\OC/C=C/Cl)/C1=C(C[C@@H](CC1=O)C2CCOCC2)O	B89	(5s)-2-[(1e)-n-{[(2e)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2h-pyran-4-yl)cyclohex-2-en-1-one
+B1234B567B189B212B33%10B454B656B787B911C232C4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565C318C4752CCNS(=O)(=O)N	B8B	cobaltcarborane
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)O/C(=C(\C(=O)O)/O)/C(=O)O)C[C@@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O	B8C	(~{e})-2-[[(4~{a}~{s})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{s},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{h}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid
+CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO	B8D	4-o-methyl-alpha-d-glucopyranose
+Cc1c(nc(s1)c2ccccc2)CC(=O)OC	B8E	methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanoate
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O	B8F	(5beta)-3-oxours-12-en-28-oic acid
+CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	B8H	[(2~{r},3~{s},4~{r},5~{s})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CN1c2ccccc2N(C1=O)C3CCN(CC3)CCCn4c5c(c(n4)c6ccc(cc6)C(F)(F)F)CN(CC5)C(=O)c7cnc[nH]7	B8J	1-[1-(3-{5-(1h-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2h-benzimidazol-2-one
+CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	B8K	7-acetyl, guanosine-5'-monophosphate
+CC[C@H](C)c1cc(ccc1O)C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c3ccc(cc3)C(=O)c4cc(ccc4O)OC	B8L	3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate
+CCCCC\C=C/C=C/CCCCCCCO	B8M	(8e,10z)-hexadeca-8,10-dien-1-ol
+CN1C=C(C(=O)N(C1=O)CC[C@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	B8N	(2~{r})-2-azanyl-4-[5-[(2~{s},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid
+CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc5c(c4)OCCO5	B8O	2-{[(3r,5r)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+c1ccc2c(c1)nc(c(n2)OCc3ccccn3)CCC(=O)O	B8P	3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid
+CN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	B8Q	3-methyl, cytidine-5'-monophosphate
+CN(C)C(=O)[C@@H](CCCCCCC[C@@H](C(=O)O)N)N	B8R	(2s,10r)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid
+CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C(=CC=N4)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl	B8S	n-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide
+CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	B8T	4-methyl, cytidine-5'-monophosphate
+COc1ccccc1C2CCN(CC2)C[C@@H](Cn3c4c(c(n3)c5ccc(c(c5)SCCN6CCCCC6)C(F)(F)F)CNCC4)O	B8V	(2s)-1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol
+COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	B8W	6-methyl, guanosine-5'-monophosphate
+CCCc1ccc(cc1[C@H]2C[C@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO	B8X	2-[4-[4-propyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=CN=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl	B8Y	n-{[2-chloro-5-(4-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-3,4-dihydropyrazin-2-yl)phenyl]methyl}-4-fluorobenzamide
+Cc1ccc2c(c1/C=C/n3cnc4c3ncnc4Nc5ccc(cc5)P(=O)(C)C)cn[nH]2	B90	n-[4-(dimethylphosphoryl)phenyl]-9-[(e)-2-(5-methyl-1h-indazol-4-yl)ethenyl]-9h-purin-6-amine
+Cc1ccc(cc1/C=C/n2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(cc(c5)n6cc(nc6)C)C(F)(F)F	B91	3-{(e)-2-[6-(cyclopropylamino)-9h-purin-9-yl]ethenyl}-4-methyl-n-[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C2CCCC[C@@H]2N3N1C(=O)N(C3=O)C[C@H](CCC(=O)O)NC(=O)Cc4ccccc4	B92	(3s)-3-({[(5s,10as)-2-{(2s)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1h-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C(CN2N1C(=O)N(C2=O)CCNC(=O)c3ccc4c(c3)nc[nH]4)CC5CCCCC5	B93	(3s)-3-({[(5s)-2-{2-[(1h-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C[C@H](N2N1C(=O)N(C2=O)CCCC(=O)O)CCNC(=O)Cc3ccc(cc3)Cl	B94	(3s)-3-({[(5s,8r)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid
+c1ccc2c(c1)[nH]c(n2)CCNC(=O)COc3ccccc3Br	B95	n-[2-(1h-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5	B96	1-(5-tert-butyl-2-p-tolyl-2h-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-urea
+Cc1ccc(cn1)c2ccc3c(n2)ccc4c3c5c(s4)C(=O)N[C@@H](CN5)C	B97	(10r)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8h-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one
+COc1ccc2c(c1)c3c(s2)C(=O)N[C@@H](CN3)CN	B98	(3r)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5h-[1]benzothieno[3,2-e][1,4]diazepin-5-one
+Cc1c2cc(ccc2n[nH]1)c3cc(cnc3c4ccoc4)OC[C@H](Cc5c[nH]c6c5cccc6)N	B99	(2s)-1-{[6-furan-3-yl-5-(3-methyl-2h-indazol-5-yl)pyridin-3-yl]oxy}-3-(1h-indol-3-yl)propan-2-amine
+c1ccc2c(c1)c3c4cccc(c4n2)CSCCN[C@H](CCC(=O)NCCSCc5cccc6c5nc7ccccc7c6NCCCNCCCCNCCCN3)O	B9A	macrocyclic-bis-9-amino-acridine
+CCCOc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	B9B	6-propyl, guanosine-5'-monophosphate
+CS(=O)(=O)Nc1ccccc1CNc2ccc3c(c2)c(n[nH]3)c4ccc(nc4)N5CCNCC5	B9C	n-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1h-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide
+C([C@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O	B9D	5-fluoro-alpha-l-idopyranose
+C1[C@H]2[C@@H]([C@@H](S1)CCCC[C@@H](C34C5[Fe]3678913(C5C6C74)C4C8C9C1C34)O)NC(=O)N2	B9F	[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-1-[1-hydroxy-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentyl]cyclopentadienyl}iron
+CCCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N	B9H	2'-methyl, 3-propyl, cytidine-5'-monophosphate
+Cc1c([nH]c(n1)SC)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4	B9K	4-(4-methyl-2-methylsulfanyl-1~{h}-imidazol-5-yl)-~{n}-(4-morpholin-4-ylphenyl)pyridin-2-amine
+CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)CO	B9L	n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-nalpha-methyl-l-phenylalaninamide
+CCCC#C\C=C\CCCCCCCCCO	B9M	(10e)-hexadec-10-en-12-yn-1-ol
+COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3[C@H](CCC(=O)O)C(=O)O	B9N	(2~{s})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1csc2c1cccc2)CO)NC	B9O	n-[(2s)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-n~2~-methyl-l-valinamide
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)C(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	B9P	1-biotinylpyrene
+C[C@@H]([C@@H](c1ccc(nc1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C5CC5	B9Q	~{n}-[(1~{r},2~{s})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CO)NC	B9R	n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-n~2~-methyl-l-valinamide
+CC1(CCN(CC1)C[C@@H](Cn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C)O)C	B9S	(2s)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl)phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol
+C[C@@H]([C@@H](c1cnc(nc1)C2CC2)Oc3ccc(cc3Br)C#N)NC(=O)C(C)(F)F	B9T	~{n}-[(1~{r},2~{s})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CO)O	B9U	(2s)-2-hydroxy-n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-3-methylbutanamide
+CC(C)[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F	B9W	2,2-bis(fluoranyl)-~{n}-[(1~{r},2~{s})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide
+CCOCCOCCC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2ncnc3N	B9X	[(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] 3-(2-ethoxyethoxy)propanoate
+c1cc(c(cc1c2c3c(n(n2)C[C@H](CN4CCCCC4)O)CCN(C3)C(=O)CO)SCCN5CCC(CC5)F)C(F)(F)F	B9Y	1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-[(2s)-2-hydroxy-3-(piperidin-1-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-hydroxyethan-1-one
+COc1ccc(cc1)c2ccc(cc2)Sc3ccccc3[C@H](CCC(=O)O)C(=O)O	B9Z	(2~{s})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid
+[Ba+2]	BA	barium ion
+CCC(=O)N1CCC(CC1)[C@@H]2CCNc3n2nc(c3C(=O)N)c4ccc(cc4)Oc5ccccc5	BA0	(7s)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccc(cc4)O)O)C(=O)O	BA1	balanol
+CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O	BA2	5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)butyl]amino}adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	BA3	bis(adenosine)-5'-triphosphate
+CCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	BA4	[[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate
+COC(=O)C1=C(c2cccnc2N(C1=O)O)N	BA5	methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate
+C(CC[C@@H](CO)O)CCO	BA6	(2s)-heptane-1,2,7-triol
+c1ccc(cc1)C(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	BA7	[(2r,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate
+c1ccc(c(c1)n2c(ccn2)c3cc(c(cc3O)O)CCc4ccccn4)Cl	BA8	4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol
+CC(C)(O)O	BA9	propane-2,2-diol
+C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)OC(C)(C)C	BAA	(tert-butyloxycarbonyl)-alanyl-alanyl-amine
+c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N	BAB	bis(5-amidino-benzimidazolyl)methane
+c1cc(ccc1CNC=O)I	BAC	n-(4-iodo-benzyl)-formamide
+CC(C)(C)C(=O)NC	BAE	n-methyltrimethylacetamide
+C[C@@H](C(=O)N[C@@H](C)NC=O)NC(=O)OC(C)(C)C	BAF	(tert-butyloxycarbonyl)-alanyl-amino ethyl-formamide
+c1ccc(cc1)C(=O)NC(=C(N)O)CCCNC(=N)N	BAG	n-[(e)-2-amino-1-(3-{[amino(imino)methyl]amino}propyl)-2-hydroxyvinyl]benzamide
+c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(c3[nH]c4cc(ccc4n3)C(=[NH2+])N)(O)O	BAH	bis(5-amidino-2-benzimidazolyl)methane ketone hydrate
+c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N	BAI	(5-amidino-2-benzimidazolyl)(2-benzimidazolyl)methane
+CC(C)(C)C1CCN(CC1)CCCn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C	BAJ	1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-n-[(4-fluorophenyl)methyl]methanamine
+c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=[NH2+])N	BAK	bis(5-amidino-2-benzimidazolyl)methane ketone
+C(CN)C(=O)O	BAL	beta-alanine
+c1ccc(cc1)C(=[NH2+])N	BAM	benzamidine
+C[C@@H](C(=O)NCC(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)C(Cc2ccccc2)C(=O)NO	BAN	honh-benzylmalonyl-l-alanylglycine-p-nitroanilide
+c1cc2c(cc1C(=N)N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=N)N	BAO	bis(5-amidino-2-benzimidazolyl)methanone
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O	BAP	1,2,3-trihydroxy-1,2,3,4-tetrahydrobenzo[a]pyrene
+C1CC(=O)NC1	BAQ	pyrrolidin-2-one
+C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O	BAR	8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid
+CC[C@H](c1ccccc1)NC=O	BAS	n-(1-phenyl-propyl)-formamide
+CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC	BAT	4-(n-hydroxyamino)-2r-isobutyl-2s-(2-thienylthiomethyl)succinyl-l-phenylalanine-n-methylamide
+c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO	BAU	1-((2-hydroxyethoxy)methyl)-5-benzylpyrimidine-2,4(1h,3h)-dione
+C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNCc2cccc(c2)C(C)C)O)C)C	BAV	(3s,14r,16s)-16-[(1r)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione
+CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccccc3F	BAW	4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{h}-pyrazol-5-yl]benzene-1,3-diol
+CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl	BAX	4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-n-methylpyridine-2-carboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)CS(=O)(=O)C(C)(C)C)O)O)NC(=O)[C@H](Cc5cccc6c5cccc6)CS(=O)(=O)C(C)(C)C	BAY	n-(1-benzyl-2,3-dihydroxy-4-{3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyrylamino}-5-phenyl-pentyl)-3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyramide
+[H]/N=C(\c1ccc2c(c1)NC3=[N]2[Zn+2][N]4=C(C3)Nc5c4ccc(c5)C(=N)N)/N	BAZ	bis(5-amidino-benzimidazolyl)methane zinc
+CC(=O)c1ccc2cc(ccc2c1)N(C)C	BB0	1-[6-(dimethylamino)naphthalen-2-yl]ethanone
+CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C	BB1	2-[(formyl-hydroxy-amino)-methyl]-hexanoic acid (1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide
+CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO	BB2	actinonin
+CCc1c(c2ccc(cc2o1)S(=O)(=O)N(C)C)C(=O)c3cc(c(c(c3)Br)O)Br	BB3	3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid dimethylamide
+c1cc2c(cc1Br)c(c[nH]2)CC(=O)NO	BB4	2-(5-bromo-1h-indol-3-yl)-n-hydroxyacetamide
+C/C(=C(\C(=O)O)/N)/S	BB6	(2z)-2-amino-3-sulfanylbut-2-enoic acid
+COC/C(=C(\C(=O)O)/N)/S	BB7	(2z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid
+c1ccc(cc1)[C@@H]([C@@H](C(=O)O)N)O	BB8	(2s,3s)-beta-hydroxy-phenylalanine
+C(=C(\C(=O)O)/N)/S	BB9	(2z)-2-amino-3-sulfanylprop-2-enoic acid
+c1cc(ccc1C[C@@H]2CCCC[C@H](C2=O)Cc3ccc(cc3)C(=N)N)C(=N)N	BBA	2,7-bis-(4-amidinobenzylidene)-cycloheptan-1-one
+c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O	BBB	1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)-6-hydroxypyrimidine-2,4(1h,3h)-dione
+[H]/N=C(\CO)/C[S@@](=O)CCCCN	BBC	3-[(4-aminobutyl)sulfinyl]-2-iminopropan-1-ol
+Cc1cccc(c1)S(=O)(=O)N(C)C2=C(N(C(=O)NC2=O)Cc3ccccc3)N	BBE	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n,3-dimethylbenzenesulfonamide
+c1(c(c(c(c(c1F)F)Br)F)F)F	BBF	1-bromo-2,3,4,5,6-pentafluorobenzene
+COc1ccc(cc1)S(=O)(=O)[N@]2CN(C(=O)C[C@@H]2C(=O)NO)Cc3ccccc3	BBH	1-benzyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-hexahydro-pyrimidine-4-carboxylic acid hydroxyamide
+CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I	BBI	(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone
+c1cc(c(cc1N/C(=N\O)/c2c(non2)NCCNS(=O)(=O)N)Br)F	BBJ	n-(3-bromo-4-fluorophenyl)-n'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1O)CO)O)O	BBK	2-acetamido-2-deoxy-5-thio-alpha-d-galactopyranose
+C[C@@H](C(=O)O)NC(=O)OCc1ccccc1	BBL	n-[(benzyloxy)carbonyl]-l-alanine
+c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)Br)C(=O)NOC[C@H](CO)O	BBM	5-bromo-n-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
+B1(c2ccccc2C=NN1C(=O)N)O	BBN	1-hydroxy-2,3,1-benzodiazaborinine-2(1h)-carboxamide
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCOCC4	BBO	2-[3-(morpholin-4-yl)propyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione
+CC(C)(C)C1=NN(C(C1)O)c2nc3ccc(cc3s2)Cl	BBP	(5r)-3-tert-butyl-1-(6-chloro-1,3-benzothiazol-2-yl)-4,5-dihydro-1h-pyrazol-5-ol
+B12([C@H](CCO1)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)Oc5c6ccccc6ccn5)OCC(CO2)O	BBQ	cyclopentyl n-[(2s)-1-[(2s,4r)-2-[[(4r)-8-hydroxy-1,6,10-trioxa-5$l^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
+C(C(=O)CBr)OP(=O)(O)O	BBR	(3-bromo-2-oxo-propoxy)phosphonic acid
+CC(C)(C)c1ccc(cc1)S(=O)(=O)O	BBS	4-tert-butylbenzenesulfonic acid
+c1ccc(cc1)[C@]2(C(=O)NC(=NC2=O)O)N3CCC(CC3)CCO	BBT	2-hydroxy-5-[4-(2-hydroxy-ethyl)-piperidin-1-yl]-5-phenyl-1h-pyrimidine-4,6-dione
+CCCCBr	BBU	1-bromobutane
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O	BBV	benzyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
+Cc1ccc2c(c1)ncnc2N	BBW	7-methylquinazolin-4-amine
+CCBr	BBX	1-bromoethane
+Cn1c(cc(n1)N)c2cc3c(c(c2)Br)OCO3	BBY	5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-3-amine
+CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccc(cc6)N(C)C	BBZ	2'-(4-dimethylaminophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+c1ccc2c(c1)c3ccccc3c4c2ccc5c4C[C@@H]([C@@H]([C@H]5O)O)O	BC	benzo[g]chrysene
+CN1Cc2c(c3c(nc(nc3s2)SCc4ccc(cc4)Cl)NCC=C)C=C1	BC0	2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-n-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
+CN1c2ccccc2C(c3c1cccc3)(C#N)C(=O)NCCC(=O)O	BC1	3-{[(9-cyano-9,10-dihydro-10-methylacridin-9-yl)carbonyl]amino}propanoic acid
+C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)C)C)OC(=O)N)/C)C)OC)OC	BC2	macbecin
+c1cc(cnc1)Cc2c[nH]c3c2N=C(NC3=O)N	BC3	2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+C#CCCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2	BC4	(3as,4s,6ar)-4-(hex-5-yn-1-yl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one
+c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)N	BC5	4'-aminobiphenyl-4-sulfonamide
+C[C@H]1CC\C=C(\C(=O)Nc2cc(cc(c2)O)C[C@H](C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]1OC(=O)N)/C)C)O)OC)C)/C	BC6	(4e,8s,9r,10e,12s,13r,14s,16r)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate
+CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)N5CCCC5)C(F)(F)F)C1	BC7	2-[5-[5-ethanoyl-1-[(2~{r})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone
+C(CC(=O)O)[C@@H](C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O	BC8	beta-citryl-l-glutamic acid
+C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/CCC[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CC[C@H]2C(=O)O)/C#N)O)C)C	BC9	(1r,2r)-2-[(2s,6e,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)O)O	BCA	4-hydroxybenzoyl coenzyme a
+C\C=C/1\c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OC\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C	BCB	bacteriochlorophyll b
+c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)O)N	BCC	(3s,6s,8ar)-6-amino-6-benzyl-5-oxooctahydroindolizine-3-carboxylic acid
+C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O	BCD	beta-cyclodextrin
+C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)c2ccccc2)/O	BCE	(2z)-n-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide
+c1(c(c(c(c(c1F)F)Cl)F)F)F	BCF	1-chloro-2,3,4,5,6-pentafluorobenzene
+C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O	BCG	3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
+CCCC(=O)SCC[N+](C)(C)C	BCH	2-(butyrylsulfanyl)-n,n,n-trimethylethanaminium
+CC1CCN(CC1)CCSc2cc(ccc2C(F)(F)F)c3c4c(n(n3)C[C@H](CN5CCC(CC5)N6C[C@H](CC6=O)O)O)CCN(C4)S(=O)(=O)C	BCJ	(4~{s})-1-[1-[(2~{s})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one
+Cn1c(c(cn1)CO)c2ccccc2	BCK	(1-methyl-5-phenyl-1h-pyrazol-4-yl)methanol
+CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C	BCL	bacteriochlorophyll a
+C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C)CCO1)(C(=O)N2)O)O)O	BCM	bicyclomycin
+C(CO)N(CCO)CC(=O)O	BCN	bicine
+CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	BCO	butyryl coenzyme a
+c1[nH]c2c(n1)nc(nc2Cl)Br	BCP	2-bromo-6-chloro-purine
+CC1C(=C(NO1)C)CS(=O)(=O)C[C@@H](C(=O)N[C@@H](CCc2ccccc2)CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4	BCQ	n-[(1r)-1-[({[(5s)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide
+CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(CCCC2(C)C)C)\C)\C	BCR	beta-carotene
+c1ccc(cc1)CSC[C@@H](C(=O)O)N	BCS	benzylcysteine
+C(=O)(O)[O-]	BCT	bicarbonate ion
+c1ccc2c(c1)C[C@@H](CO2)CO	BCU	(3r)-3,4-dihydro-2h-chromen-3-ylmethanol
+C1CC1[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	BCV	d-(l-a-aminoadipoyl)-l-cysteinyl-d-cyclopropylglycine
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)NC(=O)C)O)CO)O)O)O	BCW	6-deoxy-alpha-l-galactopyranosyl-(1->4)-[6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->3)]-2-(ace  tylamino)-2-deoxy-alpha-d-glucopyranose
+C([C@H](CS)N)C(=O)O	BCX	(3r)-3-amino-4-sulfanylbutanoic acid
+C[C@@]1(CC[N@@]2CC[C@H](N2C1=O)C=O)N	BCY	carboxyamino[4.3.0]bicyclo1,6-diazanonan-2-one
+CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C	BCZ	3-(1-acetylamino-2-ethyl-butyl)-4-guanidino-2-hydroxy-cyclopentanecarboxylic acid
+c1cc(ccc1C[N@]2CCC(C2)(F)F)[C@H]3CCC[NH+]3C(=O)c4cc(c(cc4O)O)Cl	BD0	(1s,2r)-1-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-2-{4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl}pyrrolidinium
+C1C=CC[C@@H]2[C@H]1OC(O2)O	BD1	3a,4,7,7a-tetrahydro-benzo [1,3] dioxol-2-one
+c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)OC3CCCNCC3NC(=O)c4ccc(cc4)O)O	BD2	3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxybenzoyl)benzoate
+[H]/N=C/CNC(=O)[C@H](Cc1cccc(c1)c2nnc(o2)\C=N/[H])NC(=O)c3cc(nn3C)C(C)(C)C	BD3	nalpha-[(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)carbonyl]-n-[(2e)-2-iminoethyl]-3-{5-[(z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-l-phenylalaninamide
+Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C	BD4	6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@@H](Cc3ccc(cc3)O)NC(=O)OCc4ccccc4	BD5	n-[(benzyloxy)carbonyl]-d-tyrosyl-l-phenylalanyl-l-tyrosine
+CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)NO)C(=O)[C@H](Cc4cnc[nH]4)NC(=O)OCc5ccccc5	BD6	n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-n-hydroxy-l-tryptophanamide
+CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)NO)C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OCc4ccccc4	BD7	n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-n-hydroxy-l-tyrosinamide
+CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4	BD8	n-undecanoyl-l-histidyl-l-phenylalanyl-n-methyl-n-(2-pyridin-2-ylethyl)-l-tyrosinamide
+CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4	BD9	n-undecanoyl-l-histidyl-l-histidyl-n-methyl-n-(2-pyridin-2-ylethyl)-l-tyrosinamide
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)[NH2+]Cc6ccc(cc6)C[NH2+][C@H]7C[C@@H](O[C@H]([C@H]7O)C)O[C@H]8C[C@@](Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O)O	BDA	4-methylbenzyl-n-bis[daunomycin]
+B(c1ccc(cc1)c2ccc(cc2)B(O)O)(O)O	BDB	4,4'-biphenyldiboronic acid
+CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C	BDC	bis-(9-octylamino(2-dimethylaminoethyl)acridine-4-carboxamide
+C(CCCCCCBr)CCCCCO	BDD	bromo-dodecanol
+c1cc(cnc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	BDE	n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylene]nicotinohydrazide
+C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O	BDF	beta-d-fructopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N	BDG	2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose
+c1c([nH]cn1)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N	BDH	l-beta-aspartylhistidine
+CCCCc1[nH]c2c(n1)C(=O)NNC2=O	BDI	2-butyl-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione
+[H]/N=C\1/NC(C(=O)N1Cc2cccc(c2)Cl)(C)C	BDJ	(2z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one
+CC(C)[C@@H](C(=O)C(C(=O)NCCN1CCOCC1)(F)F)NC(=O)CN2C(=NC=C(C2=O)N)c3cccs3	BDK	2-[5-amino-6-oxo-2-(2-thienyl)-1,6-dihydropyrimidin-1-yl)-n-[3,3-difluoro -1-isopropyl-2-oxo-3-(n-(2-morpholino ethyl)carbamoyl]propyl]acetamide
+CC(C)C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccccc2	BDL	n-(biphenyl-4-ylsulfonyl)-d-leucine
+COc1cc(cc(c1Br)OCCC[C@@H](CCC(=O)[O-])C(=O)[O-])Cc2c[nH+]c(nc2N)N	BDM	brodimoprim-4,6-dicarboxylate
+c1ccc(cc1)C(=N)N	BDN	benzamidine
+[H]/N=C\1/N[C@](C(=O)N1Cc2cccc(c2)Cl)(C)CC(C)C	BDO	(2z,5r)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one
+[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O	BDP	beta-d-glucopyranuronic acid
+[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)Nc3ccc(cc3)C#N)(C)CC(C)C	BDQ	1-(4-cyanophenyl)-3-(4-{[(2z,4r)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea
+C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O	BDR	beta-d-ribofuranose
+c1cc2c(cc1C[C@@H]([C@H](Cc3ccc4c(c3)OCO4)C(=O)O)C(=O)O)OCO2	BDS	2,3-bis-benzo[1,3]dioxol-5-ylmethyl-succinic acid
+C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C	BDT	5-beta-dihydrotestosterone
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc(cc2)c3ccccc3)O)O)(C(=O)O)OC)O	BDU	me-a-9-n-(biphenyl-4-carbonyl)-amino-9-deoxy-neu5ac
+[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)NCCCC)(C)CC(C)C	BDV	1-butyl-3-(4-{[(2z,4r)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea
+[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CN3C[C@@H](NC3=O)CCC)(CCC4CCCCC4)CC5CCCCC5	BDW	(4s)-1-(4-{[(2z,4r)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)CC3CCCCC3	BDX	(2e,5r)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one
+c1cc(c(c(c1)Cl)CNc2c(ncc(n2)c3ccc(cc3)C(=O)N4CCC[C@@H]4CN5CCCC5)N)Cl	BDY	n~3~-(2,6-dichlorobenzyl)-5-(4-{[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)CO)O)NC(=O)C)O)O)O	BDZ	6-deoxy-alpha-l-galactopyranosyl-(1->3)-[6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->4)]-2-(ace  tylamino)-2-deoxy-beta-d-glucopyranose
+C1CCN(CC1)S(=O)(=O)N	BE0	piperidine-1-sulfonamide
+CC(=O)N(CCOP(=O)(O)O)Br	BE1	n-bromoacetyl-aminoethyl phosphate
+c1ccc(c(c1)C(=O)O)N	BE2	2-aminobenzoic acid
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cccc(c5)F)O)O)OCc6cccc(c6)F)O	BE3	n,n-[2,5-o-di-3-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol]
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5ccc(cc5F)F)O)O)OCc6ccc(cc6F)F)O	BE4	(2r,3r,4r,5r)-2,5-bis[(2,4-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1r,2s)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexan ediamide
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cccc(c5F)F)O)O)OCc6cccc(c6F)F)O	BE5	(2r,3r,4r,5r)-2,5-bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexan ediamide
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cc(ccc5F)F)O)O)OCc6cc(ccc6F)F)O	BE6	(2r,3r,4r,5r)-2,5-bis[(2,5-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexanediamide
+c1cc(ccc1C(=O)O)[Hg]Cl	BE7	(4-carboxyphenyl)(chloro)mercury
+B([C@H](CC1CCC1)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN(C)S(=O)(=O)C)C(C)(C)C)(O)O	BE8	[(1r)-2-cyclobutyl-1-({[(1r,2s,5s)-3-(n-{[(1s)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-l-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid
+c1ccc(cc1)O/C(=N\S(=O)(=O)N)/N2CCOCC2	BE9	phenyl n-sulfamoylmorpholine-4-carboximidoate
+Cc1cccc2c1n3cn[nH+]c3s2	BEA	5-methyl-1,2,4-triazolo[3,4-b]benzothiazole
+c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	BEB	n,n-[2,5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol]
+CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)OCc3ccccc3)O)O)OCc4ccccc4	BEC	[5-(2-hydroxy-indan-1-ylcarbamoyl)-3,4-dihydroxy-2,5-[dibenzyl-oxy]-pentanoyl]-valinyl-amido-methane
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5ccccc5F)O)O)OCc6ccccc6F)O	BED	n,n-[2,5-o-di-2-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol]
+CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCc1ccc(cc1)c2ccsc2)O)O)OCc3ccc(cc3)c4ccsc4	BEE	n,n-[2,5-o-[di-4-thiophen-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane]
+[Be-](F)(F)F	BEF	beryllium trifluoride ion
+c1ccc(cc1)CO[C@H](C[C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	BEG	2,5-dibenzyloxy-3-hydroxy-hexanedioic acid bis-[(2-hydroxy-indan-1-yl)-amide]
+c1ccc(cc1)CNC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)OCc5ccccc5	BEH	2,5-dibenzyloxy-3,4-dihydroxy-hexanedioic acid benzylamide (2-hydroxy-indan-1-yl)-amide
+CC[C@H](C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC)OCc1ccccc1)O)O)OCc2ccccc2	BEI	n,n-[2,5-o-[dibenzyl]-glucaryl]-di-[isoleucyl-amido-methane]
+CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCc1ccc(cc1)c2cccnc2)O)O)OCc3ccc(cc3)c4cccnc4	BEJ	n,n-[2,5-o-[di-4-pyridin-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane]
+COc1c(c(c(c(c1F)F)C(=O)N)F)F	BEK	2,3,5,6-tetrafluoro-4-methoxy-benzamide
+c1c(c(cc(c1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)C=O	BEL	2,4-dinitro,5-[bis(2-bromoethyl)amino]-n-(2',3'-dioxopropyl)benzamide
+[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O	BEM	beta-d-mannopyranuronic acid
+[H]/N=C(\c1ccccc1)/N	BEN	benzamidine
+CC=CC(=O)O	BEO	butenoic acid
+CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3	BEP	1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane
+CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]	BEQ	n-(carboxymethyl)-n,n-dimethyl-3-[(1-oxododecyl)amino]-1-propanaminium inner salt
+COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5	BER	berberine
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O	BES	2-(3-amino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoic acid
+C[N+](C)(C)CC(=O)O	BET	trimethyl glycine
+CC(=O)N[C@H]1[C@@H](C=C([C@H]([C@@H]1O)O)CO)N	BEU	n-[(1s,2r,5r,6r)-2-amino-5,6-dihydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide
+C1CS/C(=N\S(=O)(=O)N)/N1	BEV	n-[(2z)-1,3-thiazolidin-2-ylidene]sulfamide
+c1cc[n+](c(c1)S)O	BEW	1-hydroxy-2-sulfanylpyridinium
+COc1ccc(cc1OC)N[C@H](NS(=O)(=O)N)Oc2ccccc2	BEX	n-[(r)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfamide
+c1ccc(cc1)CC[C@@H](N)[P@@](=O)(C[C@@H](Cc2ccccc2)C(=O)O)O	BEY	(2s)-3-[(r)-[(1s)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
+c1ccc(cc1)C(=O)O	BEZ	benzoic acid
+COC(=O)CCC(=O)N[C@@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O	BF0	methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate
+[Be](F)F	BF2	beryllium difluoride
+c1cc(c(c(c1)Cl)F)CN2C(=O)c3ccc(c(c3C2=O)O)O	BF3	2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1h-isoindole-1,3(2h)-dione
+[Be-2](F)(F)(F)F	BF4	beryllium tetrafluoride ion
+C[C@H]1COC2=C3N1C=C(C(=C3CC(=C2N4CCN(CC4)N)F)O)C(=O)[O-]	BF5	(3s)-10-(4-aminopiperazin-1-yl)-9-fluoro-7-hydroxy-3-methyl-2,3-dihydro-8h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate
+c1ccc(cc1)C(=O)c2ccc(cc2)/C=C\3/C(=O)N(C(=N3)CN)CC(=O)O	BF6	[(4z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1cc(ccc1C[C@H](C(=O)O)N)Br	BF7	4-bromo-d-phenylalanine
+O1[Fe][S]2[Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni]51	BF8	fe(4)-ni(1)-s(5) cluster with oxygen
+C[C@@H]([C@@H](C1=N/C(=C\c2ccc(cc2)C(=O)c3ccccc3)/C(=O)N1CC(=O)O)N)O	BF9	[(4z)-2-[(1r,2s)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CN(C)CCNC(=O)c1cccc2c1nc3c(n2)cccc3Br	BFA	9-bromo-phenazine-1-carboxylic acid (2-dimethylamino-ethyl)-amide
+[H]/N=C(/C)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1	BFB	n-[(1s)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide
+CCCCCCCCCCC[C@H](CC=O)O	BFC	(r)-3-hydroxytetradecanal
+[Be-2](OC(=O)C[C@@H](C(=O)O)N)(F)(F)F	BFD	aspartate beryllium trifluoride
+c1ccc(cc1)C(=O)NCCS	BFE	n-(2-sulfanylethyl)benzamide
+c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br	BFF	3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide
+c1ccc(cc1)C(CC(=O)NCCS)c2ccccc2	BFG	3,3-diphenyl-n-(2-sulfanylethyl)propanamide
+c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O	BFH	1-(carboxymethyl)-1h-benzo[g]indole-2-carboxylic acid
+c1cc2c(cc1F)[C@@]3(CC(=O)NC3=O)C(=O)N(C2=O)Cc4ccc(cc4F)Br	BFI	2[4-bromo-2-fluorophenyl)methyl]-6-fluorospiro[isoquinoline-4-(1h),3'-pyrrolidine]-1,2',3,5'(2h)-tetrone
+Cc1cnc(nc1Nc2cccc(c2)CO)Nc3cc(cc(c3)S(=O)(=O)C)N4CCN(CC4)C	BFK	[3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol
+C[C@@H](c1ccc(cc1)c2ccccc2)C(=O)O	BFL	2-(1,1'-biphenyl-4-yl)propanoic acid
+C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O	BFM	3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(C(=O)O)O)F)O	BFN	5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid
+CC[C@H](C)[C@H](C=O)[C@H](C(=O)NCCC[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc2ccc3ccccc3c2)O	BFO	benzyl n-[(naphthalen-2-ylmethoxy)carbonyl]-l-alanyl-n~5~-[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]-l-ornithinate
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O	BFP	beta fructose 1,6-diphosphate
+CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O	BFQ	ibandronate
+[H]/N=C(\NCCCC)/N=C(N)N	BFR	n-butyl-n'-(diaminomethylidene)guanidine
+C[C@H](c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F	BFS	n-[1-(4-bromophenyl)ethyl]-5-fluoro salicylamide
+Cc1ncc(c(n1)N)CN(C=O)C(C)C(CCOP(=O)(O)O)SC(=O)c2ccccc2	BFT	s-benzoylthiamine o-monophosphate
+CCC(=O)c1ccc(c(c1O)[C@@H]2C[C@@H]2NC(=O)Nc3ccc(cn3)Br)F	BFU	1-(5-bromo-pyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)-cyclopropyl]-urea
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5cccc(c5)CNCc6ccccc6)Cl)C1	BFV	n-benzyl-1-{3-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
+c1cc(oc1)CNC2=CC=NC(=O)N2	BFW	4-n-furfurylcytosine
+c1ccc(c(c1)CN(C2CC2)C(=O)C3=C(CCNC3)c4ccc(cc4)CCCOc5cc(ccc5Br)F)Cl	BFX	4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-n-(2-chlorobenzyl)-n-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide
+CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Br	BFZ	7-bromo-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one
+COc1cc(cc(c1OC)Br)[C@@H]2c3ccc(c(c3OC(=C2C#N)N)N)N	BG0	(4r)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4h-1-benzopyran-3-carbonitrile
+CCC[C@@H](C(=O)OC[C@@H](C(=O)O)N)[N@](C)S(=O)(=O)NC	BG1	o-[(2s)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-l-serine
+C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)O	BG2	8-bromoguanosine
+C[C@@H]1C[C@@H](N[C@H]1C(=O)O)S(=O)(=O)O	BG3	3-methyl-5-sulfo-pyrrolidine-2-carboxylic acid
+C[C@@H]1C[C@H](N[C@H]1C(=O)O)[N@](C)O	BG4	5-(hydroxy-methyl-amino)-3-methyl-pyrrolidine-2-carboxylic acid
+C[C@@H]1C[C@H](N[C@H]1C(=O)O)NO	BG5	5-hydroxyamino-3-methyl-pyrrolidine-2-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	BG6	6-o-phosphono-beta-d-glucopyranose
+CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN(C)C)CCN(C3)C(=O)CC4CCNCC4)C	BG7	n-{[5-{1-[3-(dimethylamino)propyl]-5-[(piperidin-4-yl)acetyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]methyl}-3-methylbut-2-enamide
+c1ccc(cc1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O	BG8	2-(benzoylamino)-2-deoxy-beta-d-glucopyranose
+c1cc(c(cc1)/C=C/C(=O)O)/C=C/C(=O)O	BG9	(2e,2'e)-3,3'-(1,2-phenylene)di(prop-2-enoic acid)
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	BGC	beta-d-glucopyranose
+c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](Cc3ccc(cc3)C(F)(F)P(=O)(O)O)C(=O)N	BGD	n-benzoyl-l-glutamyl-[4-phosphono(difluoromethyl)]-l-phenylalanine-[4-phosphono(difluoro-methyl)]-l-phenylalanineamide
+Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4	BGE	4-(4-methyl-1~{h}-imidazol-5-yl)-~{n}-(4-morpholin-4-ylphenyl)pyridin-2-amine
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=[NH2+])N)C(=[NH2+])N	BGF	2,5-bis(4-guanylphenyl)furan
+c1ccc(cc1)COC(=O)O	BGG	carbonic acid monobenzyl ester
+CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OC	BGH	[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCN(CC3)C4CC4)c5ccc(c(c5)C#Cc6ccc(cc6)CNCc7ccc(cc7)Cl)Cl)C1	BGJ	1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-n-[(4-chlorophenyl)methyl]methanamine
+c1cc2c(nc1)nc(s2)Oc3ccc(cc3)C=O	BGK	4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde
+CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	BGL	2-o-octyl-beta-d-glucopyranose
+C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Br)C(=O)NC(=N3)N)COP(=O)(O)O)O	BGM	8-bromo-2'-deoxyguanosine-5'-monophosphate
+CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	BGN	2-(butanoylamino)-2-deoxy-beta-d-glucopyranose
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)OP(=O)(O)O	BGO	3'-o-(n-methylanthraniloyl)guanosine-5'-diphosphate
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	BGP	6-o-phosphono-beta-d-galactopyranose
+C(CO)[C@H](C[O])O	BGQ	2-hydroxy butane-1,4-diol
+[BH3-]P(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O	BGR	[[(2r,3s,5r)-5-(2-azanyl-6-oxo-1h-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide
+CCS(=O)(=O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	BGS	(1s)-1,5-anhydro-1-(ethylsulfonyl)-d-glucitol
+CC(C)(C)OC(=O)[C@H](CCC(=O)N)N	BGT	tert-butyl d-alpha-glutaminate
+c1c2c(cc3c1[nH]c(n3)N)N=C(NC2=O)N	BGU	2,6-diamino-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2	BGV	(3ar,4s,4ar,7ar,8r,9as)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate
+c1ccc2c(c1)nc(s2)Oc3ccc(cc3)CN4CCC(CC4)C(=O)O	BGW	1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid
+C[C@@H]1C=CN[C@H]1C(=O)O	BGX	4-methyl-pyrroline-5-carboxylic acid
+CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)N2CCc3c(c(nn3CCCN4CCOCC4)c5ccc(c(c5)I)Cl)C2	BGY	tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
+CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@H](C)/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O	BGZ	[(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{s})-6-methyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate
+c1ccc(cc1)C[C@@H]2[C@@H](CN(N(C(=O)N2Cc3ccc(cc3)O)Cc4ccc(cc4)O)S(=O)(=O)c5cccc(c5)C#N)O	BH0	3-({5-benzyl-6-hydroxy-2,4-bis-(4-hydroxy-benzyl)-3-oxo-[1,2,4]-triazepane-1-sulfonyl)-benzonitrile
+CC[C@@H]\1[C@H](/C/2=C/c3c(c(c([nH]3)/C=C\4/[C@H]([C@@H](/C(=C\5/c6c(c(c([nH]6)/C=C1\N2)C)C(=O)[C@@H]5C(=O)OC)/N4)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C	BH1	bacteriopheophytin
+[C@H]([C@H](C(=O)O)O)(C(=O)O)N	BH2	(3r)-3-hydroxy-l-aspartic acid
+CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@@H](P(=O)(O)O)P(=O)(O)[O-]	BH3	hydrogen [(1r)-2-(3-pentadecyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
+C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O	BH4	(6r,1'r,2's)-5,6,7,8 tetrahydrobiopterin
+CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O)(O)O)P(=O)(O)[O-]	BH5	hydrogen [(1r)-1-hydroxy-2-(3-pentadecyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
+B(CNC(=O)c1ccccc1Cl)(O)O	BH6	{[(2-chlorobenzoyl)amino]methyl}boronic acid
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2	BH7	e-amino biotinyl caproic acid
+CCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)P(=O)(O)[O-]	BH8	hydrogen [(1s)-2-(3-decyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4c[nH]nc4	BH9	4-tert-butyl-n-[6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide
+c1cc(c(cc1N)O)C(=O)O	BHA	2-hydroxy-4-aminobenzoic acid
+CN(C)CCSCc1cc(cc2c1N=C(NC2=O)N)N	BHB	2,6-diamino-8-(2-dimethylaminoethylsulfanylmethyl)-3h-quinazolin-4-one
+c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	BHC	benzene hexacarboxylic acid
+[C@H]([C@@H](C(=O)O)O)(C(=O)O)N	BHD	(3s)-3-hydroxy-l-aspartic acid
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O	BHE	octyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside
+c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2	BHF	2-phenyl-4h-benzo[h]chromen-4-one
+CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	BHG	hexyl beta-d-galactopyranoside
+CCCCNC(=N)NO	BHH	n-butyl-n'-hydroxyguanidine
+C[C@@](CCO[P@](=O)(O)OP(=O)(O)O)(CBr)O	BHI	4-bromo-3-hydroxy-3-methyl butyl diphosphate
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc6c(c5)CN[C@@H](C6)C(=O)N7CCCCC7)Cl)C1	BHJ	{(3s)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone
+c1ccc(cc1)C[C@H](CC(=O)CO)C(=O)O	BHK	(2r)-2-benzyl-5-hydroxy-4-oxopentanoic acid
+C(CCCBr)CCO	BHL	6-bromohexan-1-ol
+C[C@](CBr)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O	BHM	(r)-3-bromo-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
+c1ccc(c(c1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O)O	BHN	2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
+c1ccc(cc1)C(=O)NO	BHO	benzhydroxamic acid
+c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)Cc2ccc(cc2)OCc3ccccc3	BHP	(s)-5-(4-benzyloxy-phenyl)-4-(7-phenyl-heptanoylamino)-pentanoic acid
+CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O	BHQ	2,5-ditert-butylbenzene-1,4-diol
+c1ccc(c(c1)C[N@@](CC[N@](Cc2cccc(c2O)O)CC(=O)O)CC(=O)O)O	BHR	2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid
+C[C@H]([C@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O	BHS	6s-5,6,7,8-tetrahydrobiopterin
+c1cc(cc(c1)S(=O)(=O)O)Nc2ccc(cc2)C(=C3C=CC(=[NH+]c4ccc(cc4)S(=O)(=O)O)C=C3)c5ccc(cc5)Nc6cccc(c6)S(=O)(=O)O	BHT	n-[4-(bis{4-[(3-sulfophenyl)amino]phenyl}methylene)cyclohexa-2,5-dien-1-ylidene]-4-sulfobenzenaminium
+B(CNC(=O)[C@H](C)CS)(O)O	BHU	[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid
+CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN4CCOCC4)CCN(C3)C(=O)CC5CCN(CC5)C(=O)OC(C)(C)C)C	BHV	tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
+Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3C)OC(=O)C(=C4O)NC(=O)c5c[nH]c(c5C)C(=O)NC6=C(c7ccc(c(c7OC6=O)C)O[C@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)c9ccc([nH]9)C)O)O)O	BHW	coumermycin a1
+C(CC(=O)O)[C@H](C[P@](=O)(CCC(=O)O)O)C(=O)O	BHX	(2s)-2-{[(s)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid
+C[C@@H](CNS(=O)(=O)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C	BHY	n,n'-[biphenyl-4,4'-diyldi(2r)propane-2,1-diyl]dimethanesulfonamide
+c1ccc(cc1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O	BHZ	2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
+CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5	BI1	3-{1-[3-(dimethylamino)propyl]-1h-indol-3-yl}-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione
+C[N@@]1CCC[C@@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	BI2	3-(1h-indol-3-yl)-4-(1-{2-[(2s)-1-methylpyrrolidinyl]ethyl}-1h-indol-3-yl)-1h-pyrrole-2,5-dione
+c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN	BI3	3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione
+C[N@]1CCC[C@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	BI4	3-(1h-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1h-indol-3-yl}-1h-pyrrole-2,5-dione
+c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3	BI5	4-phenoxy-n-(pyridin-2-ylmethyl)benzamide
+CC[C@@H](C(=O)N[C@H]1C=CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)N=C	BI6	(3s,6s,7z,10as)-n-(diphenylmethyl)-6-{[(2s)-2-(methylideneamino)butanoyl]amino}-5-oxo-1,2,3,5,6,9,10,10a-octahydropyrrolo[1,2-a]azocine-3-carboxamide
+C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C1=O)c4cc(on4)c5ccc(s5)Cl	BI7	3-[(3~{a}~{s},4~{r},8~{a}~{s},8~{b}~{r})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{h}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
+Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN	BI8	3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione
+CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl	BI9	2-({5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}amino)-n-methylbenzamide
+c1cc(cc(c1)N2CCN(CC2)CCC(=O)c3cc(c(c(c3)O)O)[N+](=O)[O-])C(F)(F)F	BIA	1-(3,4,dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl) phenyl] piperazin-1-yl}propan-1-one
+C[C@@H](CN)C(=O)[O-]	BIB	beta-amino isobutyrate
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N	BIC	3-amino-3-benzyl-9-carboxamide[4.3.0]bicyclo-1,6-diazanonan-2-one
+C\C=C\C(=O)C[C@H]1CC[C@@H]([C@@H](O1)CC(=O)NC[C@@H]([C@H](C)C(=O)NCCC[C@@H]2[C@H](CC[C@@]3(O2)CCC[C@H](O3)CC[C@H](C)\C=C(/C)\[C@H](C)O)C)O)C	BID	bistramide a
+c1ccc(cc1)C(=O)c2ccc(c(c2[N+](=O)[O-])O)O	BIE	(3,4-dihydroxy-2-nitrophenyl)(phenyl)methanone
+c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)N	BIF	(r)-2-amino-3-(4-phenylcyclohexyl)propanoic acid
+CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	BIG	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol
+c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O	BIH	naphthalene-2,6-disulfonic acid
+CC(C)NS(=O)(=O)c1ccccc1Nc2c(cnc(n2)N=C3C=CC(C=C3OC)N4CC[C@H](C4)NC)Cl	BII	2-{[5-chloro-2-({(1e,4r)-2-methoxy-4-[(3r)-3-(methylamino)pyrrolidin-1-yl]cyclohexa-2,5-dien-1-ylidene}amino)pyrimidin-4-yl]amino}-n-(1-methylethyl)benzenesulfonamide
+CN1CCN(CC1)c2ccc(c(c2)OC)/N=C\3/N=CC(C(=N3)Nc4cccc5c4C(=O)N(C5)C)Cl	BIJ	7-{[(2z,5s)-5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]imino}-2,5-dihydropyrimidin-4-yl]amino}-2-methyl-2,3-dihydro-1h-isoindol-1-one
+c1cc(cc2c1cc(c(c2)C(=O)O)O)O	BIK	3,7-dihydroxy-2-naphthoic acid
+CC[C@H](C)[C@@H](CC(=O)O)N	BIL	(3r,4s)-3-amino-4-methylhexanoic acid
+CN(C)c1c2ccc(n1)CCCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCCC2)C(=O)NC5=O	BIM	bis-(indole)maleimide pyridinophane
+CC[n+]1c(c(c(c(c1C(=O)O)C(=O)O)c2ccccc2Cl)C(=O)OC(C)C)C	BIN	2,3-dicarboxy-4-(2-chloro-phenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridinium
+C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O	BIO	biopterin
+c1ccc(cc1)C[C@@H](CI)C(=O)O	BIP	2-benzyl-3-iodopropanoic acid
+CCCNC(=O)[C@@H]1Cc2ccc(cc2)Oc3cc(ccc3[N+](=O)[O-])C[C@@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)NC(=O)OCc4ccccc4	BIQ	benzyl [12-(2-amino-2-oxoethyl)-4-nitro-10,13-dioxo-15-[(propylamino)carbonyl]-2-oxa-11,14-diazatricyclo[15 .2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbamate
+C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)c2ccccc2)C[P@@](=O)([C@H](C)N)O	BIR	n-[3-[(1-aminoethyl)(hydroxy)phosphoryl]-2-(1,1'-biphenyl-4-ylmethyl)propanoyl]alanine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(CCCC(F)(F)P(=O)(O)O)(F)F)O)O)O)N	BIS	1,1,5,5-tetrafluorophosphopentylphosphonic acid adenylate ester
+Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O	BIT	(-)-1-phenyl-1,2,3,4-tetrahydro-4-hydroxypyrrolo[2,3-b]-7-methylquinolin-4-one
+C[C@@H](CCBr)[C@@H](C(=O)O)N	BIU	5-bromo-l-isoleucine
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2C(CCCC(C)(C)O)CCCC(C)(C)O	BIV	21-nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, 20-(4-hydroxy-4-methylpentyl)-, (1a,3b,5z,7e)
+c1cc2c(cc1C(=O)O)n(c(c2C3CCCCC3)c4ccoc4)CC(=O)N5CCC(CC5)C(=O)O	BIW	1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-furan-3-yl-1h-indole-6-carboxylic acid
+C(CC(=O)O)[C@H](C[P@](=O)(CC[C@@H](C(=O)O)N)O)C(=O)O	BIX	(2s)-2-{[(s)-[(3s)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid
+CC1([C@@H](NC=C(S1)C(=O)O)C(=O)O)C	BIY	(3s)-2,2-dimethyl-3,4-dihydro-2h-1,4-thiazine-3,6-dicarboxylic acid
+Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3C)C(=O)c4cc5cc(ccc5[nH]4)NC(=O)Nc6ccc7c(c6)cc([nH]7)C(=O)N8C[C@H](c9c8cc(c1c9c(c[nH]1)C)O)C	BIZ	bizelesin
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@@H]([C@H](CO)O)OS(=O)(=O)[O-])O)CO)O)O	BJ1	(1r,2s)-1-[(1s)-1,2-dihydroxyethyl]-3-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxypropyl sulfate
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O	BJ2	(2~{s})-1-[(2~{s})-2-[[(1~{s})-1-[(2~{s})-1-[(2~{s})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
+Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2	BJ4	8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
+CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN	BJ5	desferrioxamine b
+S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71	BJ8	double cubane cluster
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc3ccccc3)\N	BJA	(2s)-1-[(2r)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-n-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
+c1cc2c(cc1S(=O)(=O)n3c4ccc(cc4cc3CCCC(=O)O)Cl)scn2	BJB	4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid
+CC(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCC[C@@H](C3)C(C)(C)N4CCCCC4=O)O	BJC	(1r,3s)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethy l]cyclohexanecarboxamide
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1	BJD	n-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
+C1=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O	BJE	2,2'-anhydro-(1-beta-d-ribofuranosyl)uracil
+CC(C)Cc1c(n(c(n1)[C@H](CC(C)C)N)CC(=O)O)O	BJF	{2-[(1s)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1h-imidazol-1-yl}acetic acid
+Cc1ccc(cc1c2c(cc(n2C)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N)Cl	BJG	2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1h-pyrrole-3-carboxamide
+B([C@H](Cc1cccc(c1O)C(=O)O)NC(=O)C)(O)O	BJH	1(r)-1-acetamido-2-(3-carboxy-2-hydroxyphenyl)ethyl boronic acid
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)C)(O)O	BJI	1(r)-1-acetamido-2-(3-carboxyphenyl)ethyl boronic acid
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)CCc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1	BJJ	n-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine
+COc1ccc(cc1O)C[NH3+]	BJK	(4-methoxy-3-oxidanyl-phenyl)methylazanium
+CCOC(=O)[C@@H](CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)O	BJL	n-[(3r)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-tyrosine
+C1[C@@H]2C[C@@H]2N([C@@H]1C=N)C(=O)[C@H](C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)N	BJM	(2~{s})-2-azanyl-1-[(1~{s},3~{s},5~{s})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{r},7~{s})-3-oxidanyl-1-ad amantyl]ethanone
+c1cc(cnc1)CC[NH3+]	BJN	2-pyridin-3-ylethylazanium
+C1=CC(=O)C=CC1=CC2=N/C(=C(\CCC(=O)O)/N)/N(C2=O)CC(=O)O	BJO	(4z)-4-amino-4-{1-(carboxymethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,5-dihydro-2h-imidazol-2-ylidene}butanoic acid
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O	BJP	(1r)-2-phenylacetamido-2-(3-carboxyphenyl)ethyl boronic acid
+COC(=O)[C@H](Cc1ccccc1)[NH3+]	BJQ	[(2~{s})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium
+C[C@H]1COCCN1CCCn2c3c(c(n2)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)CN(CC3)C(=O)C(=O)N	BJS	2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3s)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide
+COc1ccc(cc1CNCc2ccccc2)C#Cc3cc(ccc3Cl)c4c5c(n(n4)CCCN6CCOCC6)CCN(C5)S(=O)(=O)C	BJV	n-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine
+CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)CCCC(=O)O)NC(=O)OCc8ccccc8	BJW	4-[(2~{r},3~{a}~{r},5~{r},6~{r},6~{a}~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid
+CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3	BJX	repaglinide
+CS(=O)(=O)N1CCc2c(c(nn2C[C@H](CN3CCC(CC3)c4c[nH]c5c4c[n+](cc5)O)O)c6ccc(cc6)C(F)(F)F)C1	BJY	5-hydroxy-3-{1-[(2s)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1h-pyrrolo[3,2-c]pyridin-5-ium
+CN1C(=O)N(C(=O)[C@]12CN(C[C@H]2c3ccc(cc3)C#N)c4ccc(cn4)C(=O)O)c5cc(cc(c5)Cl)Cl	BJZ	6-[(5s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid
+CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N	BK1	1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)(C)n1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N	BK2	1-tert-butyl-3-naphthalen-2-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc2c(c1)cccc2Cc3c4c(ncnc4n(n3)CC5CCNCC5)N	BK3	3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N	BK4	3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N	BK5	3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N	BK6	3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N	BK7	3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2cc(ccc2c1)c3cc(cc4c3c([nH]n4)N)CN5CCNCC5	BK8	4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2h-indazol-3-amine
+CCOc1c2ccccc2ncn1	BK9	4-ethoxyquinazoline
+CCCCC(=O)CC(=O)O	BKA	3-oxoheptanoic acid
+C[C@@H](C/C=C/CC/C=C/C=C\C[C@H](/C(=C\C=C(/C)\C(=O)O)/C)OC)/C=C/C(=C\C(=O)O)/CC(=O)O	BKC	bongkrekic acid
+CC(=O)N1CCc2c(c(nn2CC3CC3)c4cccc5c4cc[nH]5)C1	BKD	1-[1-(cyclopropylmethyl)-3-(1h-indol-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
+COc1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccccc4	BKE	7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C[C@H]1[C@@H]2C[C@]([C@@H](C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O	BKF	(1s,2s,3s,5s,6s,16z,18z,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate
+c1cc(c(cc1S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)Cl)Cl	BKH	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Br	BKI	5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+CC(=O)N1CCc2c(c(nn2C3CCOCC3)c4cccc5c4cnc(c5)c6cnn(c6)C)C1	BKJ	1-{3-[3-(1-methyl-1h-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+c1cc(cc(c1)Cl)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	BKK	(2~{s},3~{r},4~{s},5~{r},6~{r})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+C[C@H]1[C@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)OC)(NC(=O)O2)O	BKL	(1r,2s,3s,5s,6s,16e,18e,20r,21s)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione
+CC/C(=C\C(=O)C[C@H](C)C[C@@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C)[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)O)O)/C=C	BKM	(2z)-2-[(1r)-3-{[(2r,3s,4r,7s,8s,11s,13r,16e)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
+CCOC(=O)CCCC(=O)C	BKN	ethyl 5-oxohexanoate
+c1ccc(cc1)/C=C/c2ccccc2OCCCC(=O)N3CC(CC3C(=O)N4CCSC4)O	BKO	1-[4-oxidanyl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-yl]-4-[2-[(~{e})-2-phenylethenyl]phenoxy]butan-1-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N	BKP	5'-o-[(s)-hydroxy{[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
+CCOC(=O)CCC(=O)C	BKQ	ethyl levulinate
+CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O	BKR	deacetyltaxol
+c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Cl	BKS	5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C[C@H]1[C@@H]2C[C@@]([C@H](/C=C/C=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CC(C)(C)SSC)C)C)OC)(NC(=O)O2)O	BKU	(1s,2s,3s,5r,6s,16e,18e,20s,21r)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name)
+c1ccc(cc1)c2cn(c3c2C(=O)NC=N3)c4ccc(cc4)Br	BKV	7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)O	BKW	2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@H]([C@@]4([C@@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O	BKX	(1s,2r,3r,5r,6r,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name)
+c1ccc(c(c1)C=C2C(=O)c3ccccc3C2=O)OCc4ccc(cc4)C(=O)O	BKY	4-({2-[(1,3-dioxo-1,3-dihydro-2h-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid
+CC(=O)CCc1ccc(cc1)O	BKZ	4-(4-hydroxyphenyl)butan-2-one
+CN(C)c1nnc(s1)CS(=O)(=O)N	BL0	1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide
+C[C@H]1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl	BL1	4-chloro-n-[(2s)-2-methyl-2,3-dihydro-1h-indol-1-yl]-3-sulfamoylbenzamide
+CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C	BL2	n-(tert-butoxycarbonyl)-l-leucine
+Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	BL3	3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+Cc1cccc2c1C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O	BL4	(3as)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one
+CCCC[C@@H](CNNC[C@H](CCCC)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc2ccccc2	BL5	2-{n'-[2-(5-amino-1-phenylcarbamoyl-pentylcarbamoyl)-hexyl]-hydrazinomethyl}-hexanoic acid(5-amino-1-phenylcarbamoyl-pentyl)-amide
+Cc1ccc2c(c1)N=C3[C@](C2=O)(CCN3c4ccccc4)O	BL6	(3as)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one
+c1ccc(cc1)N2CC[C@@]3(C2=Nc4ccccc4C3=O)O	BL7	(3as)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one
+Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C=C\3/C(=C(C(=N3)/C=C\4/[C@@H]([C@H](C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	BL8	3-[2-[(z)-[5-[(z)-[(3r,4r)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C=C)C)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	BLA	biliverdine ix alpha
+Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=[NH2+])N)O	BLB	bleomycin b2
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O	BLD	brassinolide
+B([C@H](CC(C)C)N)(O)O	BLE	leucine boronic acid
+c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)NCCN6CCOCC6)Cl	BLF	6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-n-[2-(morpholin-4-yl)ethyl]-1h-indole-2-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O	BLG	4-o-(4-o-sulfonyl-n-acetylglucosamininyl)-5-methylhydroxy-l-proline-taurine
+c1ccc(cc1)CS(=O)(=O)[N@]2C[C@@H]3CC[C@H](N3C(=O)C2)C(=O)NCC4CCN(CC4)C(=NO)N	BLI	4-oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [1-(n-hydroxycarbamimidoyl)-piperidin-4-ylmethyl]-amide
+C[As](=O)(CC[C@@H](C(=O)O)N)O	BLJ	(2s)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid
+CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	BLK	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2s)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
+c1ccc(cc1)CC[C@H]([C@H]([C@@H]([C@@H](CCc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	BLL	(2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide
+Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O	BLM	bleomycin a2
+CC(C)C[C@@H](C(=O)N[C@@H](COCc1ccccc1)C#N)NC(=O)N2CCOCC2	BLN	morpholine-4-carboxylic acid [1s-(2-benzyloxy-1r-cyano-ethylcarbamoyl)-3-methyl-butyl]amide
+[H]/N=C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)O)N	BLO	1-(4-{[(3r)-3-amino-5-{[(z)-amino(imino)methyl](methyl)amino}pentanoyl]amino}-2,3,4-trideoxy-d-erythro-hex-2-enopyranuronosyl)-4-hydroxypyrimidin-2(1h)-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CNNC(=O)CNC(=O)c2ccccc2[N+](=O)[O-])O	BLP	(5-hydroxy-6-methyl-4-((2-(2-(2-nitrobenzamido)acetyl)hydrazinyl)methyl)pyridin-3-yl)methyl dihydrogen phosphate
+c1cc(ccc1C(=O)NCCC(=O)O)N/N=C/2\C=CC(=O)C(=C2)C(=O)O	BLQ	(3e)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid
+Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	BLR	3-[5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+[H]/N=C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N	BLS	blasticidin s
+C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O	BLT	1,4-dideoxy-1,4-[[2r,3r)-2,4-dihydroxy-3-(sulfoxy)butyl]episelenoniumylidene]-d-arabinitol inner salt
+Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C)\C=C/3\C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N3)C=C)C)C=C	BLV	biliverdin ix gamma chromophore
+B([C@H](CCCC[NH3+])N)(O)O	BLY	lysine boronic acid
+C[C@H](c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(c(c4)OC)OC	BLZ	5-[5,6-bis(methyloxy)-1h-benzimidazol-1-yl]-3-{[1-(2-chlorophenyl)ethyl]oxy}-2-thiophenecarboxamide
+CCCCn1cc[n+](c1)C	BM0	1-butyl-3-methyl-1h-imidazol-3-ium
+Cc1cccc(c1)[C@@]23c4ccccc4C(=O)N2CCS3	BM1	(r)-(+)9b-(3-methyl)phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bh)-one
+c1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3CNC(=O)CCCNC(=N)N	BM2	s-(r*,r*)]-4-[aminoiminomethyl)amino]-n-[[1-[3-hydroxy -2-[(2-naphthalenylsulfonyl)amino]-1-oxopropyl]-2-pyrrolidinyl] methyl]butanamide
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	BM3	2-acetamido-2-deoxy-alpha-d-mannopyranose
+CC[C@]1(CCCC[N@](C1)CCCCCCCCC[N@]2CCCC[C@](C2)(CC)c3cccc(c3)O)c4cccc(c4)O	BM4	3-[(3r)-3-ethyl-1-{9-[(3s)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol
+COC(=O)[C@@H]1CS[C@]2(N1C(=O)c3c2cccc3)c4ccccc4	BM5	(r)-(+) 5(9bh)-oxo-9b-phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-3-carboxylic acid methyl ester
+CC1(CCC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])(C)C)C	BM6	4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-[1,3]dioxolan-2-yl]-benzoic acid
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	BM7	2-acetamido-2-deoxy-beta-d-mannopyranose
+Cc1cc(ccc1N)c2nc3ccccc3s2	BM8	4-(1,3-benzothiazol-2-yl)-2-methyl-aniline
+[H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)NC[C@@H]2CCCN2C(=O)[C@H](CO)NS(=O)(=O)c3ccc4ccccc4c3	BM9	[s-(r*,r*)]-1-(aminoiminomethyl)-n-[[1-[n-[(2-naphthalenylsulfonyl)-l-seryl]-3-pyrrolidinyl]methyl]-3-piperidenecarboxa mide
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O	BMA	beta-d-mannopyranose
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCNCc5ccccc5)NC	BMB	(3s,6s,7r,9as)-7-[2-(benzylamino)ethyl]-n-(diphenylmethyl)-6-{[(2s)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide
+Cn1c(cc(n1)c2ccc3c(c2)OCO3)C(=O)O	BMC	3-(1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazole-5-carboxylic acid
+CCCC(=O)N	BMD	butyramide
+C(CS)O	BME	beta-mercaptoethanol
+CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C	BMF	bromosporine
+C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cnc[n+]3C2)C(=O)[O-])[C@H](C=O)[C@@H](C)O	BMG	(4r,5s)-3-(6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-4-meth yl-4,5-dihydro-1h-pyrrole-2-carboxylate
+C[C@@H]1[C@@H](NC(=C1S[C@H]2Cn3cnc[n+]3C2)C(O)[O-])[C@@H]([C@@H](C)O)C(=O)O	BMH	5h-pyrazolo(1,2-a)(1,2,4)triazol-4-ium, 6-((2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-6,7-dihydro-, hydroxide, inner salt, (4r-(4alpha,5beta,6beta(r*)))-
+Cc1cc(cc2c1[nH]c(n2)C3=C(C=CNC3=O)NCc4ccccn4)n5ccnc5	BMI	3-[5-(1h-imidazol-1-yl)-7-methyl-1h-benzimidazol-2-yl]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1h)-one
+CC[C@@H](C)CCCCCCCCCCC(=O)O	BMJ	(12r)-12-methyltetradecanoic acid
+C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4	BMK	(5s,10r)-5-methyl-10,11-dihydro-5h-5,10-epiminodibenzo[a,d][7]annulene
+c1cc(ccc1O)Br	BML	4-bromophenol
+CBr	BMM	bromomethane
+COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	BMN	(1r)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-o-phosphono-d-erythro-pentitol
+c1ccc2c(c1)c(c3ccccc3n2)NCCCNCCCNc4c5ccccc5nc6c4cccc6	BMO	n-acridin-9-yl-n'-[3-(acridin-9-ylamino)propyl]propane-1,3-diamine
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O	BMP	6-hydroxyuridine-5'-phosphate
+C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	BMQ	1-(5'-phospho-beta-d-ribofuranosyl)barbituric acid
+COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	BMR	((2r,3s,5r)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate
+CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4cc5ccccc5nc4)C	BMS	4-[(4,4-dimethyl-1,2,3,4-tetrahydro-[1,2']binapthalenyl-7-carbonyl)-amino]-benzoic acid
+C/C=C/C[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O	BMT	4-methyl-4-[(e)-2-butenyl]-4,n-methyl-threonine
+CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl	BMU	1-(5-tert-butyl-2-methyl-2h-pyrazol-3-yl)-3-(4-chloro-phenyl)-urea
+c1ccc(cc1)C[C@@H]2CN(c3ccc(cc3C[N@]2S(=O)(=O)c4cccs4)C#N)Cc5c[nH]cn5	BMV	3-benzyl-1-(1h-imidazol-4-ylmethyl)-4-(thien-2-ylsulfonyl)-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile
+c1cc(cc(c1)O)c2c3c(nc(n2)N4CCOCC4)N(CC3)c5ccc6c(c5)nc[nH]6	BMW	3-[7-(1h-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl]phenol
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O	BMX	2-acetamido-2-deoxy-6-o-phosphono-alpha-d-mannopyranose
+c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O	BMZ	2-(2-hydroxy-phenyl)-1h-benzoimidazole-5-carboxamidine
+Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N	BN1	(s)-2-amino-3-[3-hydroxy-5-(2-methyl-2h-tetrazol-5-yl)isoxazol-4-yl]propionic acid
+c1ccc(c(c1)C(=O)NC(=O)Nc2cc(c(c(c2)Cl)OCCCCCCC(=O)O)Cl)Cl	BN2	7-[2,6-dichloro-4-({[(2-chlorobenzoyl)amino]carbonyl}amino)phenoxy]heptanoic acid
+c1cc(c(cc1OCCCC(=O)O)Cl)NC(=O)NC(=O)c2ccc(cc2Cl)Cl	BN3	4-[3-chloro-4-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)phenoxy]butanoic acid
+Cc1c(c(ccc1NC(=O)NC(=O)c2ccc(cc2Cl)Cl)OCCCC(=O)O)C	BN4	4-[4-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)-2,3-dimethylphenoxy]butanoic acid
+Cc1c(cccc1OCCCCC(=O)O)NC(=O)NC(=O)c2ccc(cc2Cl)Cl	BN5	5-[3-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)-2-methylphenoxy]pentanoic acid
+CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)O)O	BN6	(2s,8r,9s,15s)-15-cyclohexyl-9,12-bis(cyclopropylmethyl)-8-hydroxy-20-methyl-4,7,11,14,17-pentaoxo-2-phenyl-18-oxa-3,6,10,12,13,16-hexaazahenicosan-1-oic acid
+CC(C)COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2	BN7	2-methylpropyl 5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoate
+c1ccc2c(c1)cccc2CC(Cc3cccc4c3cccc4)C(=O)O	BNA	bis-(naphthyl-1-methyl) acetic acid
+Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)C(=O)N6CCN(CC6)C)C	BNB	n-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
+CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	BNC	5-beta-24-nor-cholane-3(alpha),7(alpha),12(alpha)-triol
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(C(=O)O)OC)O	BND	methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+CC[C@]1(CCCCN(C1=O)C)c2cccc(c2)Oc3cc(ccc3C#N)[C@@](C)(c4cncn4C)N	BNE	2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[1-amino-1-(1-methyl-1h-imidizol-5-yl)-ethyl]-benzonitrile
+c1ccc(cc1)CNC=O	BNF	n-benzylformamide
+CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	BNG	nonyl beta-d-glucopyranoside
+CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)O	BNH	[(n-{3-[(n-{cyclohexyl[(isobutoxycarbonyl)amino]acetyl}-3-cyclopropylalanyl)amino]-4-cyclopropyl-2-oxobutanoyl}glycyl)amino](phenyl)acetic acid
+c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-]	BNI	5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4-nitro-phenyl)-amide
+c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(=O)N3	BNJ	n-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
+c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=O)NC3CCCC3)Cl	BNK	2-chloro-n-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
+c1ccc(cc1)c2ccccc2	BNL	biphenyl
+c1c(cc(cc1NC(=O)C2CC2)S(=O)(=O)NC3CCCC3)C4=CSC(=O)N4	BNM	n-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
+[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C)/N	BNN	acetyl-p-amidinophenylalanine
+B([C@H](CCCC)N)(O)O	BNO	norleucine boronic acid
+c1ccc(cc1)COCCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3OCc4ccc5ccccc5c4	BNP	(3r,4r)-4-{4-[3-(benzyloxy)propoxy]phenyl}-3-(2-naphthylmethoxy)piperidine
+c1ccc(cc1)C(CC(=O)Nc2nc3ccccc3s2)c4ccccc4	BNQ	~{n}-(1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)O)[NH2+]Cc6ccc(cc6)C[NH2+][C@@H]7[C@@H](O[C@H](C[C@@H]7O)O[C@H]8C[C@@](Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O)C	BNR	bis-daunorubicin
+c1ccc(cc1)S(=O)(=O)O	BNS	benzenesulfonic acid
+CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br	BNT	2,5-dibromo-3-isopropyl-6-methylbenzo-1,4-quinone
+CCN1C=C(C(=O)c2c1cc(c(c2)Br)N3CCNCC3)C(=O)O	BNU	6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
+CC[C@H](C)CCCCCCCCCCC(=O)O	BNV	(12s)-12-methyltetradecanoic acid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	BNW	udp-n-acetyl-muramic acid-4'phosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O)O	BNX	2-o-phosphono-beta-d-glucopyranose
+Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O	BNY	2-[(2-methyl-3-nitrophenyl)amino]benzoic acid
+c1ccccc1	BNZ	benzene
+C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1O2)O)O)CO	BO0	(1~{s},2~{s},3~{r},4~{r},6~{r})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol
+c1cc(ccc1N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)S(=O)(=O)N	BO1	n-(4-sulfamoylphenyl)-beta-d-glucopyranosylamine
+B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O	BO2	n-[(1r)-1-(dihydroxyboryl)-3-methylbutyl]-n-(pyrazin-2-ylcarbonyl)-l-phenylalaninamide
+B(O)(O)O	BO3	boric acid
+[B-](O)(O)(O)O	BO4	borate ion
+CN1CC/C=C/CCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O	BO5	(9e)-19-chloranyl-13-methyl-16,18-bis(oxidanyl)-13-azabicyclo[13.4.0]nonadeca-1(15),9,16,18-tetraene-3,14-dione
+C[n+]1ccc(cc1)/C=C/c2cc3c4c([nH]c3cc2)ccc(c4)/C=C/c5cc[n+](cc5)C	BO6	3,6-bis[(e)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9h-carbazole
+COc1cccc(c1C(=O)O)OC	BO7	2,6-dimethoxybenzoic acid
+[B-]([C@@H](C)NC(=O)CCCC[C@H](C(=O)O)N)(O)(O)O	BO8	(d-alpha-aminopimelylamino)-d-1-ethylboronic acid
+B([C@@H](C)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)(O)O	BO9	n1-[(1r)-1-(dihydroxyboryl)ethyl]-n2-[(tert-butoxycarbonyl)-d-gamma-glutamyl]-n6-[(benzyloxy)carbonyl-l-lysinamide
+c1[nH]c2c(n1)nc(nc2O)Br	BOA	2-bromo-6-hydroxy-purine
+CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O	BOB	(s)-2-amino-5-((r)-1-(carboxymethylamino)-3-((3s,4r)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
+CC(C)(C)OC(=O)O	BOC	tert-butyl hydrogen carbonate
+COc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N	BOD	5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCc3ccccc3	BOE	2'-o-[2-(benzyloxy)ethyl] thymidine-5'-monophosphate
+Cc1ccc(cc1)n2c(nnc2c3ccc4c(c3)N([C@@H](C(=O)N4C)C)C5CC5)C	BOF	(3r)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4h-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1h)-one
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	BOG	octyl beta-d-glucopyranoside
+C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)O)C(=O)C)N	BOH	(2~{r})-2-azanyl-~{n}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide
+CN1/C(=N/OCc2ccc(cc2)Cl)/C=CN(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O	BOI	[[(2~{r},3~{s},4~{r},5~{r})-5-[(4~{e})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+CCCc1c(c(nc(n1)N)N)N2CCN(CC2)c3ccccc3	BOJ	5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine
+c1ccc(cc1)NC(=O)c2ccccc2I	BOL	2-iodo-n-phenylbenzamide
+CCC\C=C/C=C/CCCCCCCCCO	BOM	hexadeca-10,12-dien-1-ol
+B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NS(=O)(=O)N	BON	n-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide
+COc1ccc(cc1)Br	BOP	1-bromo-4-methoxybenzene
+CCOC(=O)c1cc(oc1CN)C(C)(C)C	BOQ	ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate
+B([C@H](CCCNC(=N)N)N)(O)O	BOR	(1r)-1-amino-4-{[(e)-amino(imino)methyl]amino}butylboronic acid
+c1ccc(c(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)N)S	BOS	n-[4-(aminosulfonyl)phenyl]-2-mercaptobenzamide
+c1ccc2c(c1)ncs2	BOT	benzothiazole
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2ccccc2c3ccccc3C(=O)O)C(=O)O)C	BOU	(2r,4s)-2-[(1r)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CCCCCCCCOS(=O)(=O)N	BOW	octyl sulfamate
+c1ccc(cc1)C(=O)O	BOX	benzoic acid
+Cc1ccc(cc1)[C@H](O)P(=O)(O)O	BOY	[(r)-hydroxy(4-methylphenyl)methyl]phosphonic acid
+c1cc2c(cc1C(N)N)NC3=[N]2[Zn+2][N]4=C(C3=O)Nc5c4ccc(c5)C(N)N	BOZ	bis(5-amidino-benzimidazolyl)methanone zinc
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O	BP	(-)-7s,8r,9r-trihydroxy-7,8,9,10-tetrahydro benzo[a]pyrene
+C(CSCCc1nnc(s1)N)c2nnc(s2)N	BP0	5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine)
+c1[nH]c2c(n1)ncnc2Br	BP1	6-bromo-7h-purine
+CC1([C@@H]2CC[C@]1([C@H](C2)O[P@](=O)([O-])OP(=O)([O-])[O-])C)C	BP2	(+)-bornyl diphosphate
+c1ccc(c(c1)c2cccc(c2O)O)Cl	BP3	2'-chloro-biphenyl-2,3-diol
+c1ccc(cc1)c2ccc(cc2)CC(=O)O	BP4	biphenyl-4-ylacetic acid
+c1ccnc(c1)c2ccc(cn2)C[C@@H](C(=O)O)N	BP5	3-(2,2'-bipyridin-5-yl)-l-alanine
+c1cc(c(c(c1)O)O)c2c(cccc2Cl)Cl	BP6	2',6'-dichloro-biphenyl-2,6-diol
+c1ccc(cc1)c2ccc(c(c2)O)O	BP7	1,1'-biphenyl-3,4-diol
+C(CCc1nnc(s1)N)CCc2nnc(s2)N	BP8	5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine)
+C(CCc1nnc(s1)N)Cc2nnc(s2)N	BP9	5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine)
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@@H]([C@H]4O)O)O	BPA	7s,8r,9r-trihydroxy-7,8,9,10-tetrahydro benzo[a]pyrene
+C/C=C\1/c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C	BPB	bacteriopheophytin b
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O	BPC	(7r,8r,9r)-7,8,9,10-tetrahydrobenzo[def]chrysene-7,8,9-triol
+c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C(=O)O)C(F)(F)F	BPD	n-(m-trifluoromethylphenyl) phenoxazine-4,6-dicarboxylic acid
+C(CN)CSC[C@@H](CO)N	BPE	(2s)-2-amino-3-[(3-aminopropyl)sulfanyl]propan-1-ol
+CC/[NH+]=C(\N)/c1ccc(cc1)c2oc(cc2)c3ccc(cc3)/C(=[NH+]/CC)/N	BPF	n,n'-(furan-2,5-diylbis{benzene-4,1-diyl[(z)-aminomethylylidene]})diethanaminium
+c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2	BPG	9-(4-hydroxybutyl)-n2-phenylguanine
+CCC1c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C	BPH	bacteriopheophytin a
+c1ccc2c(c1)ccc3c2c4c(cc3)[C@H]([C@@H]([C@@H](C4)O)O)O	BPI	(1s)-1,2,3,4-tetrahydro-benzo[c]phenanthrene-2,3,4-triol
+c1ccc2c(c1)ccc3c2c4c(cc3)[C@@H]([C@H]([C@H](C4)O)O)O	BPJ	(1r)-1,2,3,4-tetrahydro-benzo[c]phenanthrene-2,3,4-triol
+Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO	BPK	{3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol
+CNC(=O)Nc1c2ccccc2c3ccc4cccc5c4c3c1cc5	BPL	1-benzo[a]pyren-6-yl-3-methyl-urea
+c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP(=O)(O)O	BPM	4-phosphonooxy-phenyl-methyl-[4-phosphonooxy]benzen
+c1cc(ccc1CO)[N+](=O)[O-]	BPN	paranitrobenzyl alcohol
+[H]/N=C(\c1cccc(c1)C(=O)N[C@H](c2ccccc2)C(=O)N3CCC(CC3)C(=O)c4ccccc4)/N	BPO	3-[(z)-amino(imino)methyl]-n-[2-(4-benzoyl-1-piperidinyl)-2-oxo-1-phenylethyl]benzamide
+[H]/N=C(\c1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)Cc4ccccc4)/N	BPP	2-(4-benzylpiperidine-1-carbonyl)-1h-indole-5-carboximidamide
+CC(C)(C)OC(=O)NCc1c[nH]c2c1C(=O)NC(=N2)N	BPQ	tert-butyl [(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate
+B([C@@H]1CCCN1C(=O)[C@@H]2CCCN2)(O)O	BPR	(2r)-n-[(2r)-2-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-n-[(5r)-5-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-l-prolinamide
+c1ccc(cc1)c2ccccc2[S@](=O)O	BPS	1,1'-biphenyl-2-sulfinic acid
+C(CC[NH2][Pt]([NH3])([NH3])Cl)C[NH2][Pt]([NH3])([NH3])Cl	BPT	bis(trans-platinum ethylenediamine diamine chloro)complex
+c1cc2n(c1)-c3ccc(cc3NC2=O)Br	BPU	7-bromopyrrolo[1,2-a]quinoxalin-4(5h)-one
+C(C(=O)C(=O)O)Br	BPV	bromopyruvate
+c1cc(ccc1CCCN)Cl	BPW	3-(4-chlorophenyl)propan-1-amine
+c1ccc(cc1)C[C@H](CC(C[N+](=O)[O-])(O)O)C(=O)O	BPX	(2r)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid
+c1ccc(cc1)c2cccc(c2O)O	BPY	biphenyl-2,3-diol
+c1cc(ccc1C2(CCCCC2)c3ccc(cc3)O)O	BPZ	4,4'-cyclohexane-1,1-diyldiphenol
+Cc1ccc(c(c1)C)n2c(nc(n2)C(=O)N3CCN(CC3)C)c4ccc5c(c4)N([C@@H](C(=O)N5C)C)C6CCCC6	BQ0	(3r)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1h-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1h)-one
+CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O	BQ1	bedaquiline
+c1ccc2c(c1)CCN(C2)C(=O)CO	BQ2	1-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-ethanone
+CC(C)(C)OC(=O)N1CCc2ccc(cc2C1)N	BQ3	tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1h)-carboxylate
+c1cc(cc(c1)O)C(=O)/C=C(/C(=O)O)\O	BQ4	(2z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid
+c1ccc(cc1)n2c3c(c(n2)CN)CCC3	BQ5	(1-phenyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)methanamine
+Cc1cc2c(cc1F)OC[C@H](C2)NS(=O)(=O)c3cc(c([nH]3)C)C(=O)N4CC(C4)(C)C#N	BQ6	4-(3-cyano-3-methylazetidine-1-carbonyl)-n-[(3s)-7-fluoro-6-methyl-3,4-dihydro-2h-1-benzopyran-3-yl]-5-methyl-1h-pyrrole-2-sulfonamide
+c1ccc(cc1)[C@@H](C(C(=O)O)(F)F)N	BQ7	(3s)-3-amino-2,2-difluoro-3-phenylpropanoic acid
+[H]/N=C(/N)\N[C@H](C)C(=O)Nc1nc(c(s1)c2cc(cc(c2)O)O)C(=O)C	BQ8	(2~{r})-~{n}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
+CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCC/C=C/C/C=C/C/C=C/CC	BQ9	(2r)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5e,8e,11e)-tetradeca-5,8,11-trienoate
+c1ccc(c(c1)CN2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](CC4CC4)C(=O)O)C(F)(F)F	BQA	n-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-l-alanine
+c1cc(ccc1/N=N/c2cc(c(c(c2)I)O)C(=O)O)[N+](=O)[O-]	BQB	5-(4-nitrophenylazo)-3-iodosalicylic acid
+c1ccc(cc1)C2=NC(=O)C3=C(N2)CCN(C3)C(=O)c4ccc5c(c4)CS(=O)(=O)N5	BQC	5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4h)-carbonyl)-1,3-dihydro-2h-2lambda~6~,1-benzothiazole-2,2-dione
+CCC(=O)N1CC[C@H]([C@H]1C(=O)Nc2ccc3cc(ccc3c2)Br)O	BQD	(3r)-n-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-l-prolinamide
+CC(=O)C1=C(S/C(=N\C(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F)/N1)c4cc(cnc4)N	BQE	(~{n}~{z},2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{h}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide
+c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4ccc(cc4)C(=O)O)C(=O)O2	BQF	4-(5-oxo-1,5-dihydro-2h-[1]benzopyrano[3,4-c]pyridine-3(4h)-carbonyl)benzoic acid
+CC(=O)c1csc(n1)NC(=O)[C@@H]2CNCCN2	BQH	(2~{s})-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
+CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)C(=O)CN(C)C	BQJ	2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one
+CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc(cc(c3)O)O	BQK	(2~{r})-~{n}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OC[C@@H](C=O)N)O)O	BQL	[(2~{s})-2-azanyl-3-oxidanylidene-propyl] [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1cc(cc(c1)Sc2ccc(c(c2C(F)(F)F)C(F)(F)F)\C=C\C(=O)N3CCOCC3)N	BQM	3-({4-[(1e)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline
+c1ccc(c(c1)OCc2cccnc2)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)\C=C\C(=O)N4CCOCC4	BQN	4-{(2e)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine
+C[C@H]([C@@H](C=O)N)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O	BQO	[(2~{r},3~{s})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1cc(c(cc1c2c3c(n(n2)CCCO)CCN(C3)C(=O)CC4CCN(CC4)CC5CCCCC5)SCCN6CCC(CC6)F)C(F)(F)F	BQP	2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+CC(=O)c1c(sc(n1)NC(=O)[C@@H]2CNCCN2)c3cc(cnc3)N	BQQ	(2~{s})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide
+CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(c(c3)OC)OC	BQR	n~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-n-methylglycinamide
+CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)CC6CCCCC6	BQS	2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+C[C@H](C(=O)Nc1nc2c(s1)CCCC2=O)N	BQT	(2~{r})-2-azanyl-~{n}-(4-oxidanylidene-6,7-dihydro-5~{h}-1,3-benzothiazol-2-yl)propanamide
+c1ccc(cc1)OCc2nc(cs2)c3ccc(c(c3)CCC(=O)O)N	BQU	3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid
+CS(=O)(=O)NC(=O)c1cccc(c1)CSc2cccs2	BQV	n-(methylsulfonyl)-3-{[(thiophen-2-yl)sulfanyl]methyl}benzamide
+[H]/N=C(/N)\N[C@H](C)C(=O)NC1NC(CS1)C(=O)C	BQW	(2~{r})-2-carbamimidamido-~{n}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide
+c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)NCCCC[C@H]3C4C(CS3)NC(=O)N4)N	BQX	1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{s})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea
+COc1ccccc1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	BQY	2-methoxyphenyl beta-d-galactopyranoside
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O)O)O)O)O	BQZ	galactinol
+[Br-]	BR	bromide ion
+c1cc(c2c(c1C(=O)O)N[C@H]([C@@H]3[C@H]2C=CC3)C(=O)O)[N+](=O)[O-]	BR0	(3as,4r,9br)-9-nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4,6-dicarboxylic acid
+c1ccc(cc1)CCCCCC[C@@H](c2ncc(o2)c3ccc(cn3)CBr)O	BR1	(1s)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol
+COC1=NN=C2C1=CC(C=N2)NC(=O)c3c(ccc(c3F)NS(=O)(=O)c4ccccc4)F	BR2	2,6-difluoro-n-[(5s)-3-methoxy-5h-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide
+Cc1ccc2c(c1)CC[C@H](O2)C[P@H](=O)[O-]	BR3	(6-methyl-3,4-dihydro-2h-chromen-2-yl)methylphosphinate
+c1ccc(cc1)CCCCCCC(=O)N[C@H](CCc2ccccc2)CCC(=O)O	BR4	6-phenyl-4(r)-(7-phenyl-heptanoylamino)-hexanoic acid
+CCOCC[P@H](=O)[O-]	BR5	2-ethoxyethylphosphinate
+[H]/N=C(/c1ccc(cc1)/C=N/c2ccc(cc2)Br)\N	BR6	(e)-4-((4-bromophenylimino)methyl)benzimidamide
+C[C@@]12C[C@]3(CC(C1)(CC(C2)(C3)Br)N)C	BR7	bromomemantine
+C1C(=O)NC(=O)NC1=O	BR8	barbituric acid
+c1c(cnc(c1N)N)Br	BR9	5-bromopyridine-2,3-diamine
+CN(C)c1ccc(cc1)Nc2c3ccc(cc3nc4c2ccc(c4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6	BRA	9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine
+c1cc(ccc1CO)Br	BRB	para-bromobenzyl alcohol
+C(CCCCCC(=O)O)CCCCCBr	BRC	12-bromododecanoic acid
+C1=CNC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	BRD	1-beta-ribofuranosyl-1,3-diazepinone
+Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4)F)C(=O)O	BRE	2-biphenyl-4-yl-6-fluoro-3-methyl-quinoline-4-carboxylic acid
+Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)O	BRF	6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methylquinoline-4-carboxylic acid
+c12c(nc([nH]1)Br)N=C(NC2=O)N	BRG	8-bromoguanine
+C(c1c(c(no1)O)Br)C(C(=O)O)N	BRH	(s)-2-amino-3-(4-bromo-3-hydroxy-isoxazol-5-yl)propionic acid
+C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC	BRI	(o4)-methyl-2-deoxyfucose
+C(CBr)O	BRJ	2-bromoethanol
+COc1ccc(cc1)C(=O)C2=C(N/C(=N/c3ccc(cc3)OC)/S2)N	BRK	{(2z)-4-amino-2-[(4-methoxyphenyl)imino]-2,3-dihydro-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone
+CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3	BRL	2,4-thiazolidiinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-(9cl)
+C(C(=O)O)Br	BRM	2-bromoacetyl group
+c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N	BRN	berenil
+[Br-]	BRO	bromo group
+C=C(CO)Br	BRP	2-bromo-2-propene-1-ol
+c1cc(cc(c1)Cl)Nc2[nH+]c(c(s2)C(=O)c3ccc(cc3)F)N	BRQ	{[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl](4-fluorophenyl)methanone
+CCCC[C@H](CN(C=O)O)C(=O)O	BRR	(2r)-2-{[formyl(hydroxy)amino]methyl}hexanoic acid
+C[C@H](c1ccc(cc1)Cl)c2cc(cc(c2O)[N+](=O)[O-])[N+](=O)[O-]	BRS	2-[1-(4-chloro-phenyl)-ethyl]-4,6-dinitro-phenol
+c1c(cncc1Br)C(=O)N	BRT	5-bromonicotinamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O	BRU	5-bromo-2'-deoxyuridine-5'-monophosphate
+c1(c(c(c(c(c1Br)N)Br)C(=O)O)Br)C(=O)O	BRV	5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid
+c1ccc2c(c1)/C(=N\O)/C(=C/3\c4ccc(cc4NC3=O)Br)/N2	BRW	6-bromoindirubin-3'-oxime
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-]	BRX	bromamphenicol
+c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)Br)/N2	BRY	(2z)-5'-bromo-2,3'-biindole-2',3(1h,1'h)-dione ammoniate
+CC(C)(C=C)C1=Cc2cc3c(cc2OC1=O)O[C@@H](C3)C(C)(C)O	BRZ	6-(1,1-dimethylallyl)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7h-furo[3,2-g]chromen-7-one
+c1ccc(cc1)OCc2nc(cs2)c3ccc4c(c3)CCC(=O)N4	BS0	6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1h-quinolin-2-one
+C[N+]1([C@H]2CC[C@@H]1CC(C2)OC3c4ccccc4CCc5c3cccc5)C	BS1	(3-exo)-3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yloxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
+c1ccc(cc1)C[NH+]2[C@@H]3CC[C@H]2CC(C3)OC4c5ccccc5CCc6c4cccc6	BS2	(3-endo,8-anti)-8-benzyl-3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yloxy)-8-azoniabicyclo[3.2.1]octane
+[Bi+3]	BS3	bismuth(iii) ion
+c1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N	BS4	n-[(4-aminophenyl)sulfonyl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N	BS5	5'-deoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
+CN1CCN(CC1)c2cc3c4c(ccc(c4n2)NS(=O)(=O)c5ccccc5OC)N(C3=O)C	BS6	2-methoxy-n-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide
+c1cc2cccnc2c(c1)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	BS7	8-hydroxyquinoline beta-galactopyranoside
+c1cncc(c1c2ccnc3c2[nH]c(n3)N)F	BS8	7-(3-fluoranylpyridin-4-yl)-1~{h}-imidazo[4,5-b]pyridin-2-amine
+c1ccc(cc1)C(=O)NCCS(=O)(=O)O	BSA	2-(benzoylamino)ethanesulfonic acid
+c1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N	BSB	n-benzyl-4-sulfamoyl-benzamide
+CCCCS(=N)(=O)CC[C@@H](C(=O)O)N	BSC	(2s)-2-amino-4-(s-butylsulfonimidoyl)butanoic acid
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)[N@@](C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O	BSD	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+C([C@@H](CO)C(=O)O)N	BSE	beta-3-serine
+B(CNS(=O)(=O)Cc1ccccc1)(O)O	BSF	{[(benzylsulfonyl)amino]methyl}boronic acid
+B(CNS(=O)(=O)Cc1ccc(cc1)C(=O)O)(O)O	BSG	4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
+B([C@H](Cc1cccc(c1)C(=O)O)NS(=O)(=O)Cc2ccccc2)(O)O	BSH	3-[(2r)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)[N@@]3Cc4ccccc4C[C@@H]3C(=O)O	BSI	2-(biphenyl-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)/N=C\CSCCC(=O)NC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@@H]5[C@H](C[C@H]([C@@H]([C@H]5O)O)N)N)N)O)O)O	BSJ	(3r,9z)-17-[(2r,3s,4r,5r,6r)-5-amino-6-{[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2h-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	BSM	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)-1h-pyrazole-3-carboxamide
+C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2	BSO	biotin-d-sulfoxide
+c1cc(c(cc1C2(c3c(c(c(c(c3Br)Br)Br)Br)C(=O)O2)c4ccc(c(c4)S(=O)(=O)[O-])O)S(=O)(=O)[O-])O	BSP	3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3h)-isobenzofuranylidene)bis [6-hydroxybenzenesulfonic acid]anion
+CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=C[C@@](NC2=O)(N)O)N)C(=N)N	BST	6-(4-amino-4-hydroxy-2-oxo-3,4-dihydro-2h-pyrimidin-1-yl)-3-[3-amino-5-(n-methyl-guanidino)-pent anoylamino]-3,6-dihydro-2h-pyran-2-carboxylic acid
+c1ccc(cc1)NC(=O)Nc2ccccc2	BSU	1,3-diphenylurea
+Cc1ccc(cc1C(=O)/C=C(/C(=O)O)\O)C2CC2	BSV	(2z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+c1c[nH]c2c1c(ccn2)c3ccncc3F	BSW	4-(3-fluoranylpyridin-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+c1ccc(c(c1)CCN)F	BSX	2-(2-fluorophenyl)ethanamine
+O[Se](=O)[O-]	BSY	biselenite ion
+COc1ccc(cc1Cl)S(=O)(=O)O	BSZ	3-chloro-4-methoxybenzenesulfonic acid
+CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC	BT0	2-methoxy-n-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide
+c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)C(=O)c5ccc(nc5)OCCN6CCCC6	BT1	{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-methanone
+c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)Cc5ccc(cc5)OCCN6CCCC6	BT2	3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene
+c1cc(ccc1Cc2c3ccc(cc3sc2c4ccc(nc4)OCCN5CCCC5)O)OCCN6CCCC6	BT3	3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophen-6-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N	BT5	biotinyl-5-amp
+c1ccc(cc1)S	BT6	benzenethiol
+CCC(CC)n1cc(cn1)[C@@H](C(F)F)O	BT7	(1s)-2,2-difluoro-1-[1-(pentan-3-yl)-1h-pyrazol-4-yl]ethan-1-ol
+CCOc1c2ccc(cc2on1)OCCC3CCN(CC3)c4ccc(nn4)C	BT8	3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole
+c1cc(cc(c1)Nc2ccc(cc2)C(F)(F)F)C(=O)O	BT9	3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid
+CCC[C@@H](C(=O)O)N	BTA	4-demethyl-leucine
+C(CO)N(CCO)C(CO)(CO)CO	BTB	2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
+C([C@@H](C(=O)O)N)S	BTC	cysteine
+c1cc(sc1C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O)Br	BTD	5-bromothienyldeoxyuridine
+c1cc(c2c(c1)nsn2)N	BTE	2,1,3-benzothiadiazol-4-amine
+CC1=CC=[N]2C(=C1)C3=CC(=CC=[N]3[Fe]2(C#N)(C#N)(C#N)C#N)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5	BTF	iron(ii) tetracyano-5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4'-methyl-[2,2']bipyridinyl-4-ylmethyl)-amide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccccc2c3cccc(c3)C(=O)O)CO)O)O	BTG	ortho-biphenyl-2'-carboxyl n-acetyl-beta-galactosaminoside
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)c4cccs4	BTH	4-oxo-3-{6-[4-(quinoxalin-2-ylamino)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-pentanoic acid
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC=O)NC(=O)N2	BTI	5-(hexahydro-2-oxo-1h-thieno[3,4-d]imidazol-6-yl)pentanal
+C[C@@H](C(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(=O)NC(CCCCNC(=O)CCCC#C)C(=O)N)NC(=O)[C@H]([C@@H](Cc3ccc(cc3)OCc4ccccc4)N)O	BTJ	n-[(2-{2-[(n-{(2s,3r)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-l-alanyl)amino]ethoxy}ethoxy)acetyl]-4-benzoyl-l-phenylalanyl-n~6~-hex-5-ynoyllysinamide
+CCCC(=O)NCCCC[C@@H](C(=O)O)N	BTK	n~6~-butanoyl-l-lysine
+C[N+](C)(C)CC=O	BTL	betaine aldehyde
+CC[N+](CC)(CC)Cc1ccccc1	BTM	n-benzyl-n,n-diethylethanaminium
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2	BTN	biotin
+c1cc(cc(c1)[N+](=O)[O-])c2nc(on2)CCCC(=O)O	BTO	4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
+c1ccc(cc1)C[C@H](CS)C(=O)O	BTP	2-thiomethyl-3-phenylpropanoic acid
+C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2	BTQ	epi-biotin
+c1cc2c(cc1Br)[nH]cc2C[C@@H](C(=O)O)N	BTR	6-bromo-tryptophan
+c1ccc2c(c1)nc(s2)SCCCS(=O)(=O)O	BTS	3-(2-benzothiazolylthio)-1-propanesulfonic acid
+c1c(c(cc(c1O)O)O)O	BTT	benzene-1,2,4,5-tetrol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O)CO)O)O)O)O)O	BTU	3-o-alpha-d-glucopyranosyl-beta-d-fructofuranose
+c1cc(ccc1Cn2cc(nn2)CCCCC[C@H]3C4C(CS3)NC(=O)N4)C(=O)O	BTV	4-[(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)methyl]benzoic acid
+C[C@H]([C@@H](Cc1ccccc1)C(=O)O)S	BTW	(2s,3r)-2-benzyl-3-sulfanylbutanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OCCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N	BTX	((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl 5-((3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentyl hydrogen phosphate
+Cc1cc2n(n1)C(=NC(=O)N2)N	BTY	4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1h)-one
+[H]/N=C(\N)/NCCCCNC(=O)c1csc(n1)c2cscn2	BTZ	n-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide
+C[C@@H](c1ccccc1)NC(=O)c2cc3c([n+](c2N)Cc4ccccc4)NC5=CC=CC=[N]5C3=O	BU0	6-azanyl-2-oxidanylidene-n-[(1s)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide
+C(CCO)CO	BU1	1,4-butanediol
+C[C@@H](CCO)O	BU2	1,3-butanediol
+C[C@H]([C@@H](C)O)O	BU3	(r,r)-2,3-butanediol
+C[C@H](CCO)O	BU4	(3r)-butane-1,3-diol
+c1c[nH]c2c1c(ccn2)c3nc(cs3)CO	BU5	[2-(1~{h}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol
+c1cc(c(cc1Cl)S(=O)(=O)Nc2cnn(c2)C3CCNCC3)F	BU6	5-chloro-2-fluoro-n-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide
+CCCCN1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S	BU7	(5e)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+c1cc2c(nc1)nc([nH]2)N	BU8	1~{h}-imidazo[4,5-b]pyridin-2-amine
+C[C@H]([C@H](C)O)O	BU9	meso-2,3-butanediol
+CCCC(=O)O	BUA	butanoic acid
+B(CCCC)(O)O	BUB	1-butane boronic acid
+CCCCSSC[C@@H](C(=O)O)N	BUC	s,s-butylthiocysteine
+C[C@@H]([C@H](C)O)O	BUD	(2s,3s)-butane-2,3-diol
+CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C	BUE	nerylneryl pyrophosphate
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O	BUF	bufalin
+CC(C)(C)[C@@H](C(=O)O)N	BUG	3-methyl-l-valine
+C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2c(ccc(n2)NC(=O)c3c(cc(cn3)C(F)(F)F)Cl)F	BUH	~{n}-[6-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide
+CCCCCCCCCCCCCCNC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C	BUI	(3r)-3-{[(tetradecylamino)carbonyl]amino}-4-(trimethylammonio)butanoate
+CCCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C	BUJ	(3r)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](C1NC=CS1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)N[C@H](C)c2ccc(cc2)Br	BUK	n~2~-({[(1r)-1-(4-bromophenyl)ethyl]amino}carbonyl)asparaginyl-n~1~-{4-{[amino(imino)methyl]amino}-1-[2,3-dihydro-1,3-thiazol-2-yl(hydroxy)methyl]butyl}valinamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H](N[C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O	BUL	bulgecin a
+CC(C)(C)[C@@H](C(=O)NC)N	BUM	2-amino-n,3,3-trimethylbutanamide
+c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O	BUN	(2e)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
+CC(=O)C(=O)C	BUO	butane-2,3-dione
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)Br	BUP	5-bromouridine 5'-(tetrahydrogen triphosphate)
+CC(=O)CCO	BUQ	4-hydroxy-2-butanone
+CC(C)(C)c1ccccc1Oc2c(cccn2)NC(=O)Nc3ccc(cc3)OC(F)(F)F	BUR	1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
+CCCC	BUT	butyl group
+c1ccc(c(c1)COc2cc(ccc2O)C[C@@H](C(=O)O)N)[N+](=O)[O-]	BUU	(2~{s})-2-azanyl-3-[3-[(2-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid
+c1ccc(cc1)[C@H]2CCN([C@@H]2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	BUV	4-[[(2~{s},3~{r})-1-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid
+CCN(CC)[C@H](C)CN1c2ccccc2Sc3c1cccc3	BUW	r-ethopropazine
+c1cc(cc(c1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl	BUX	7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione
+c1ccc2c(c1)CCN([C@@H]2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	BUY	4-[[(1~{s})-2-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]benzoic acid
+CC1=CC=CN2C1=Nc3c(cc(c([n+]3C[C@H]4CCCO4)N)C(=O)NCc5cccnc5)C2=O	BV0	6-azanyl-11-methyl-2-oxidanylidene-7-[[(2r)-oxolan-2-yl]methyl]-n-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCN5CCN(CC5)CCCNC(=O)c6cc(cc(c6)O[C@@H]7[C@@H]([C@@H]([C@@H]([C@@H](O7)CO)O)O)O)[N+](=O)[O-]	BV1	[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino] -2-(3-{4-[3-(3-nitro-5-[galactopyranosyloxy]-benzoylamino)-propyl]-piperazin-1-yl} -propyl-amino)-3,4-dioxo-cyclobutene
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC(COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c5cc(cc(c5)O[C@@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)CO)O)O)O)[N+](=O)[O-])N	BV2	1,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propyl-amino]-carbonyloxy)-2-amino-propane
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCNC(=O)OCC(COC(=O)NCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N	BV3	1,3-bis-([[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobu tenyl]-amino-ethyl]-amino-carbonyloxy)-2-amino-propane
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)NCCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N	BV4	1,3-bis-([3-[3-[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobutenyl]-amino-propoxy-ethoxy-ethoxy]-propyl-]amino-carbonyloxy)-2-amino-propane
+c1ccc(c(c1)OC(F)(F)F)S(=O)(=O)NC(=O)CCC2CCNCC2	BV5	3-(4-piperidyl)-n-[2-(trifluoromethoxy)phenyl]sulfonyl-propanamide
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)CO)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	BV6	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol
+C1CNCCC1CCC(=O)O	BV7	3-(4-piperidyl)propanoic acid
+CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCC/N=C(/NCCC(=O)O)\S[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)NC(=O)OCc7ccccc7	BV8	3-[[(~{z})-~{c}-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{n}-[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid
+Cn1cc(cn1)c2cc(cnc2)c3ccc(cc3)C(=O)N	BV9	4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide
+c1ccc(cc1)C2=O[V](ON2)(O)(O)O	BVA	trihydroxy[(n-hydroxybenzamidato)oxo]vanadate
+c1cc(ccc1/C=C/c2cc(cc(c2)O)O)Br	BVB	5-[(e)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol
+c1cscc1CN	BVC	1-thien-3-ylmethanamine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)CO)O	BVD	5-bromovinyldeoxyuridine
+c1ccc(cc1)c2cc([n+](c(c2)c3ccccc3)CCc4ccc(cc4)S(=O)(=O)N)c5ccccc5	BVE	4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide
+Cc1ccnc(c1)N	BVF	4-methylpyridin-2-amine
+c1cnc([nH]1)CO	BVG	1h-imidazol-2-ylmethanol
+C=C[C@H]1CC[C@H]([C@@H](C1)O)O	BVH	(1r,2r,4s)-4-ethenylcyclohexane-1,2-diol
+Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5CC5	BVI	8-cyclopropyl-n-[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]quinazolin-2-amine
+COC(=O)Nc1ccc(cc1)NC(=O)[C@@H]2c3ccccc3CCN2C(=O)/C=C/c4c(ccc(c4F)Cl)n5cnnn5	BVJ	methyl ~{n}-[4-[[(1~{s})-2-[(~{e})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate
+c1cc(ccc1CC(=O)O)CN	BVK	2-[4-(aminomethyl)phenyl]ethanoic acid
+CC(=CCc1cc(c(cc1OC)O)C(=O)\C=C\c2ccc(cc2)O)C	BVL	(2e)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
+CCOC(=O)[C@H]1CCCN(C1)C(=O)c2cccc3c2CCN([C@@H]3C(=O)Nc4ccc(cc4)C(=O)O)C(=O)/C=C/c5cc(ccc5n6cnnn6)Cl	BVM	4-[[(1~{s})-2-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{s})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]benzoic acid
+CCN(CC)CCOC(=O)c1ccc(cc1)NCCC(=O)c2ccc(cc2)[N+](=O)[O-]	BVN	2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate
+c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cccc(c5)CO)F)C2=O	BVO	3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)COP(=O)(O)O)O	BVP	(e)-5-(2-bromovinyl)-2'-deoxyuridine-5'-monophosphate
+CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N	BVQ	norpseudo-b12
+B(=O)(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O	BVR	[4-[[(2~{r},3~{s})-3-[[(3~{a}~{s},4~{r},6~{a}~{r})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron
+Cc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O	BVS	(2z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid
+CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)NCCC(=O)O)NC(=O)OCc8ccccc8	BVT	3-[[(2~{s},3~{a}~{r},5~{r},6~{r},6~{a}~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid
+c1ccc(c(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F)F	BVU	3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione
+c1cc(ccc1COc2ccc3c(n2)[nH]c(n3)c4ccc(cc4)C(=[NH2+])N)C(=[NH2+])N	BVV	amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3h-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium
+CCC\1=C(C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C	BVX	3-[2-[(~{z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+c1cc(cc(c1)F)Cn2cc(nn2)CCCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4	BVY	(3as,4s,6ar)-4-(5-{1-[(3-fluorophenyl)methyl]-1h-1,2,3-triazol-4-yl}pentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one
+[B-](c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)(O)O	BVZ	[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide
+CN1/C(=N/OCc2ccc(cc2)C(=O)OC)/C=CN(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O	BW0	[[(2~{r},3~{s},4~{r},5~{r})-5-[(4~{e})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cc(co4)CC5CC5)N	BW1	~{n}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)Nc2ccc3c(c2)C(=O)NC(=N3)N	BW2	n-(4-{[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)amino]sulfonyl}benzoyl)glutamic acid
+CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	BW3	(2~{s},3~{r},4~{s},5~{s},6~{r})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
+Cc1c(nc(nc1N2CC3(C2)CCN(CC3)C(=O)OC)c4cc(ccc4Cl)OC[C@@H](CNC)O)c5c(noc5C)C	BW4	methyl 2-[2-{2-chloro-5-[(2r)-2-hydroxy-3-(methylamino)propoxy]phenyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
+C1C2CC3CC1CC(C2)(C3)C[C@@H](C(=O)O)N	BW5	(2~{s})-3-(1-adamantyl)-2-azanyl-propanoic acid
+C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)c4ccc[nH]4)C	BW6	(3~{r})-4-cyclopropyl-1,3-dimethyl-6-(1~{h}-pyrrol-2-yl)-3~{h}-quinoxalin-2-one
+CC(C)n1c2c(cn1)c(cc(n2)c3cccc(c3)OC[C@@H](CN)O)N4CCOCC4	BW7	(2r)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol
+CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)F)SCC(=O)O	BW8	2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Cr]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C	BW9	chromium protoporphyrin ix
+c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)NCc4cccnc4	BWA	n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-n'-[(pyridin-3-yl)methyl]urea
+C1[C@H](C(C([C@H](O1)OC[C@@H](C(=O)O)N)O)O)O	BWB	(2~{s})-2-azanyl-3-[(2~{s},5~{r})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid
+Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)/C=C\3/c4cc(ccc4NC3=O)F	BWC	5-[(z)-(5-fluoranyl-2-oxidanylidene-1h-indol-3-ylidene)methyl]-2,4-dimethyl-n-(2-pyrrolidin-1-ylethyl)-1h-pyrrole-3-carboxamide
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br	BWD	2-amino-3-(5-bromo-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
+CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2cc(cs2)c3cc(cc(c3OC)F)C#N)NC(=O)C	BWE	(2~{r})-2-acetamido-~{n}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+C1C[C@H](N(C1)C(=O)O)/C(=C/C(=O)O)/O	BWF	(2s)-2-[(z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
+CC(=O)c1cnc(s1)N[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	BWG	n-{5-[(1r)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-d-mannopyranosylamine
+C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@@H](CC#N)C(=O)Nc3ccc(cc3)C(=O)Nc4ccc(c(c4OC)O)C(=O)Nc5ccc(c(c5OC)O)C(=O)O	BWH	albicidin
+Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5(CC5)C#N	BWI	1-(2-{[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile
+c1c(cc(cc1Cl)Cl)NC(P(=O)(O)O)P(=O)(O)O	BWJ	{[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)
+Cn1c([nH+]nn1)CC(=O)N[NH3+]	BWK	[2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium
+CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)/C=C(/[C@@H]3CCCN3C(=O)O)\O	BWL	(2s)-2-[(z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
+Cc1nnc(n1c2ccccc2CNC(=O)C)C	BWM	n-{[2-(3,5-dimethyl-4h-1,2,4-triazol-4-yl)phenyl]methyl}acetamide
+CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(F)F)C(F)(F)F)C(=O)/C=C(\[C@@H]3CCCN3C(=O)O)/O	BWO	(2s)-2-[(e)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
+CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O	BWP	(2s)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol
+CC(C)C[C@H]1c2c(c3ccc(cc3[nH]2)OC4CCCC4)C[C@@H]5N1C(=O)[C@@H](NC5=O)CCC(=O)OC(C)(C)C	BWQ	~{tert}-butyl 3-[(2~{s},5~{s},8~{s})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
+c1cc(ccc1CNC(=O)c2csc3c2C(=O)NC=N3)CN4CCC(CC4)N	BWR	~{n}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{h}-thieno[2,3-d]pyrimidine-5-carboxamide
+C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	BWS	l-gamma-glutamyl-l-alanylglycine
+c1cc(ccc1c2n[nH]nn2)C(=O)N[NH3+]	BWT	[[4-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
+c1ccc(cc1)C2=C(C3=[N]4C(=C5C=CC6=C(C(=C7C=CC8=[N]7[Co]4(N56)n9c8ccc92)c1ccccc1)c1ccccc1)C=C3)c1ccccc1	BWU	tetraphenylporphycene contating cobalt
+[H]/N=C(/NCCCC)\NCCC[C@@H](C(=O)O)N	BWV	n~5~-(n-butylcarbamimidoyl)-l-ornithine
+c1cc(cc(c1)S(=O)(=O)Nc2ccc(c(c2)O)C(=O)O)c3cc(ccc3O)F	BWW	4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid
+C[C@@H](c1ccc(cc1)CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O	BWX	(2s)-2-[[(2s)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid
+CC(C)n1c(ncn1)c2cn3c(n2)-c4cc(ccc4OCC3)S(=O)C5CCN(CC5)C(C)(C)C	BWY	10-[(s)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
+c1cc(cc(c1)C(=O)N[NH3+])c2n[nH]nn2	BWZ	[[3-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
+COc1cc(cc(c1OC)OC)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N	BX1	1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid
+CCc1cc(cc(n1)CC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4	BX2	(5s)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4h-imidazol-4-one
+CC(=N)N1CCC(CC1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)O	BX3	(+)-2-[4-[(-1-acetimidoyl-4-piperidinyl)oxy]-3-(7-amidino-2-naphthyl)propionic acid
+c1cc(cc(c1)N)c2ccc(cc2)S(=O)(=O)N	BX4	3'-aminobiphenyl-4-sulfonamide
+C(Cc1n[nH]nn1)CC(=O)N[NH3+]	BX5	[4-(2~{h}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium
+B([C@H](Cc1ccccc1)NC(=O)[C@H](C)CS)(O)O	BX6	[(1r)-1-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]-2-phenyl-ethyl]boronic acid
+c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCNC(=O)c4cccs4)I	BX7	n-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide
+B([C@H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O	BX9	[(r)-(4-fluorophenyl)-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
+C(C(=O)O)Br	BXA	bromoacetic acid
+c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl	BXB	n-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
+C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O	BXC	(3r,7r,11r)-3,7,11,15-tetramethylhexadecyl alpha-d-ribopyranoside
+CCOC[C@H](C(F)(F)F)Oc1cc(cc(c1N)F)C[C@@H]2CS(=O)(=O)C[C@@H]([C@H]2O)NCc3cccc(c3)C(C)(C)C	BXD	(3s,4s,5r)-3-(4-amino-3-{[(2r)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+C(CC(=O)N[NH3+])c1n[nH]nn1	BXE	[3-(2~{h}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O	BXF	2-deoxy-2-fluoro-beta-d-xylopyranose
+COc1ccc2c(c1)c(ccn2)NC(=O)c3cc(ccc3Cl)[N+](=O)[O-]	BXG	2-chloro-n-(6-methoxyquinolin-4-yl)-5-nitrobenzamide
+CCOC(=O)Cc1n[nH]nn1	BXH	ethyl 2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoate
+CC(C)(Cn1c(c(cn1)Nc2ncc3cc(c(cc3n2)C4CCN(CC4)C5COC5)Cl)Cl)O	BXI	1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1h-pyrazol-1-yl]-2-methylpropan-2-ol
+Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4C=NC(=O)C(=N4)Nc5ccc(c(c5)N)C(=O)N6CCOCC6	BXJ	n-{3-[(2r)-6-{[3-amino-4-(morpholine-4-carbonyl)phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide
+CC(C)C[C@H](C(=O)O)NC(=O)O[C@@H](CCC(=O)O)C(=O)O	BXK	(2~{s})-2-[[(2~{r})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid
+c1ccc(cc1)NC(=O)C/C=C/CCCC(=O)Nc2ccccc2N	BXL	(3e)-n~8~-(2-aminophenyl)-n~1~-phenyloct-3-enediamide
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C	BXM	4-tert-butyl-n-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
+Cc1c(c(n(n1)C)C)N(C)S(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN4CCC[C@@H]4C3)Cl	BXN	4-[3-[(8~{a}~{r})-3,4,6,7,8,8~{a}-hexahydro-1~{h}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{n}-methyl-~{n}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
+CCC\C=N/O	BXO	(1z)-butanal oxime
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O	BXP	4-o-beta-d-xylopyranosyl-beta-d-xylopyranose
+CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)C[C@@H](C(F)(F)F)O	BXQ	(3s,4s,5r)-3-{4-amino-3-fluoro-5-[(2s)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+c1cc(c(cc1Cl)CCN)n2cnnn2	BXR	2-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]ethanamine
+c1cc2c(cc1C(=O)/C=C(/C(=O)O)\O)OCCO2	BXS	(2z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid
+CCN(C)C(=O)OC[C@@H](C(=O)O)N	BXT	(2~{s})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid
+B([C@@H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O	BXU	[(s)-(4-fluorophenyl)-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
+c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F	BXV	4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid
+c1cc2c(cc1C(=O)O)SCC(=O)N2	BXW	3-oxo-3,4-dihydro-2h-1,4-benzothiazine-7-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)O	BXX	beta-d-arabinofuranose
+C([C@@H]1[C@H]([C@@H]([C@H](O1)O)O)O)O	BXY	alpha-d-arabinofuranose
+c1cc2c(cc1O)onc2c3cc(c(cc3O)O)Br	BXZ	4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
+B([C@@H](Cc1coc2c1cccc2)NC(=O)[C@H](C)CS)(O)O	BY0	[(1s)-2-(1-benzofuran-3-yl)-1-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethyl]boronic acid
+Cc1ccc(cc1)S(=O)(=O)/C=C/C#N	BY1	3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
+CCN(C)C(=O)Oc1ccc(c(c1)[C@@H](C)N(C)C)O	BY2	[3-[(1~{r})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{n}-ethyl-~{n}-methyl-carbamate
+Cc1cccc2c1[C@H](C(=O)N2)N	BY4	(3r)-3-azanyl-4-methyl-1,3-dihydroindol-2-one
+c1cc(c(c(c1F)/C=C(/C(=O)O)\S)F)F	BY5	(~{z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid
+Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCCNCCCN)O	BY6	[(2s,3r,4r,5s,6s)-2-[(3r,4r,5r,6r)-2-[(1r,2s)-2-[[6-amino-2-[(1s)-3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2s,3r,4r)-5-[[(2r,3s)-1-[2-[4-[4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(3h-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)C(F)(F)F)CCCN(C)C	BY7	6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine
+Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O	BY8	(3~{r})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+c1ccc2c(c1)c3c4c(c5c6ccccc6n(c5c3[nH]2)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)NC4=O	BY9	12-beta-d-glucopyranosyl-12,13-dihydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h)-dione
+c1ccc(cc1)C(=O)NCCC(=O)O	BYA	n-(phenylcarbonyl)-beta-alanine
+c1c(cnc2c1c(n[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F	BYB	(2~{s},3~{s})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O	BYC	benzoyl coenzyme a
+c1cc(ccc1C(=O)NO)C(=O)NO	BYD	n,n'-dihydroxybenzene-1,4-dicarboxamide
+C[C@@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F	BYE	1-(2-chlorophenyl)-6-[(2s)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+C1C=C(c2c(non2)[C@]1(SCCCCCCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	BYG	l-gamma-glutamyl-s-{(4r)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-l-cysteinylglycine
+CN1c2ccccc2N(C1=S)CCSc3[nH]c4ccccc4n3	BYH	1-[2-(1h-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2h-benzimidazole-2-thione
+Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC	BYJ	4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine
+C[NH+](C)C1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4	BYK	[(3~{r})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
+Cc1c(cnn1[C@@H]2CC2(F)F)Nc3ncc4cc(c(cc4n3)C5CCN(CC5)[C@@]6(COC[C@@H]6O)C)Cl	BYL	(3r,4r)-4-{4-[6-chloro-2-({1-[(1r)-2,2-difluorocyclopropyl]-5-methyl-1h-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol
+c1cc2c(cc1\C=C/3\C(=O)NC(=O)S3)OC(O2)(F)F	BYM	(5e)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylene]-1,3-thiazolidine-2,4-dione
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)O)(C)C	BYN	hydroxylated prenyl-fmn
+C[C@@H]1CCC[C@@H]2[C@H]1[C@@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4	BYO	(3~{s},4'~{r},4'~{a}~{s},6'~{r},8'~{a}~{s})-4',6'-dimethyl-5-phenyl-spiro[1~{h}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{h}-naphthalene]-2,4-dione
+CN(C)C[C@H](COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O	BYP	(2r)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol
+c1cc(c(cc1C[C@@H](C(=O)O)N)Br)O	BYR	3-bromo-l-tyrosine
+c1ccc(cc1)C[C@@H]([C@H](Cc2ccc3c(c2)OCO3)C(=O)O)C(=O)O	BYS	2-benzo[1,3]dioxol-5-ylmethyl-3-benzyl-succinic acid
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2	BYT	biocytin
+Cc1cccc(c1Nc2cc(ncn2)c3cccnc3Nc4c(c(cc(c4Cl)OC)OC)Cl)NC(=O)C=C	BYU	n-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC	BYV	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile
+c1cc(ccc1CC(=O)NO)CC(=O)NO	BYX	2,2'-(1,4-phenylene)bis(n-hydroxyacetamide)
+C1[C@H]2[C@@H]([C@@H]([Se]1)CCCCC(=O)O)NC(=O)N2	BYY	5-[(3as,4s,6ar)-2-oxohexahydro-1h-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid
+c1c(cn[nH]1)Br	BYZ	4-bromo-1h-pyrazole
+c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N	BZ0	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide
+CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC	BZ1	(+)-4-ethylamino-3,4-dihydro-2-(methoxy)propyl-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+c1ccc2c(c1)cc(o2)C(=O)O	BZ2	1-benzofuran-2-carboxylic acid
+COc1ccc2c(c1)cc[nH]2	BZ3	5-methoxy-1h-indole
+c1cc2c(cc1CN(Cc3nc(co3)C(=O)N)C(=O)c4coc(n4)CN(Cc5ccc6c(c5)OCO6)C(=O)c7coc(n7)CCl)OCO2	BZ4	n-[(2h-1,3-benzodioxol-5-yl)methyl]-2-({[(2h-1,3-benzodioxol-5-yl)methyl][2-(chloromethyl)-1,3-oxazole-4-carbonyl]amino}methyl)-n-[(4-carbamoyl-1,3-oxazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
+c1cc2c(ccs2)cc1C[C@H]3C(=O)[C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O	BZ5	(1r,2r,4s,5r)-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
+COc1ccc(cc1)c2c(cn(n2)c3ccccc3)Cn4ccnc4	BZ6	4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole
+CC(C)(C)NC(=O)C[C@@H](C(=O)NCCNC(=O)c1cccc(c1)c2ccccc2)NC(=O)CCc3ccccc3	BZ7	n~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-n~4~-tert-butyl-n~2~-(3-phenylpropanoyl)-l-aspartamide
+CCOc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl	BZ8	4-chloro-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl benzene-1,3-diol
+Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[nH]c6ccccc6n5	BZ9	n-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1h-benzimidazol-2-amine
+c1ccc2cc3c(ccc4c3C[C@@H]([C@@H]([C@H]4O)O)O)cc2c1	BZA	1r,2s,3r,4s-tetrahydro-benzo[a]anthracene-2,3,4-triol
+B(c1cc2ccccc2s1)(O)O	BZB	benzo[b]thiophene-2-boronic acid
+COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N	BZC	2-(3'-methoxyphenyl) benzimidazole-4-carboxamide
+c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	BZD	n-[(phenylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+c1ccc(cc1)c2nc(nc(n2)N)N	BZE	6-phenyl-1,3,5-triazine-2,4-diamine
+c1ccc2c(c1)cco2	BZF	benzofuran
+c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	BZG	6-(benzyloxy)-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purin-2-amine
+c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N	BZH	5-[(2-amino-1h-benzimidazol-6-yl)amino]-5-oxopentanoic acid
+c1ccc2c(c1)[nH]cn2	BZI	benzimidazole
+c1ccc2cc(c(cc2c1)C(=O)O)O	BZJ	3-hydroxynaphthalene-2-carboxylic acid
+CCC(=O)C[C@H](C[C@@H](C)C[C@@H](C(=O)O)N)O	BZK	(2s, 4s, 6s)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid
+c1ccc(cc1)COC(=O)c2ccccc2	BZM	benzoic acid phenylmethylester
+CC(C)CN(C[C@H]1CNC[C@@H]1COCc2ccccc2)S(=O)(=O)c3ccccc3	BZN	n-({(3r,4r)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-n-(2-methylpropyl)benzenesulfonamide
+c1ccc(cc1)COC=O	BZO	carbobenzoxy group
+C1CN(CCN1)C(=O)O	BZP	n1-carboxypiperazine
+c1ccc(cc1)C(=O)c2ccccc2	BZQ	diphenylmethanone
+c1ccc2cc3c(ccc4c3C[C@H]([C@H]([C@@H]4O)O)O)cc2c1	BZR	1s,2r,3s,4r-tetrahydro-benzo[a]anthracene-2,3,4-triol
+c1ccc(cc1)C[C@H](CC(=O)O)C(=O)O	BZS	l-benzylsuccinic acid
+c1cc(ccc1c2c(c3ccc(cc3s2)O)Cc4ccc(c(c4)Br)CN5CCCC5)OCCN6CCCC6	BZT	3-(3-bromo-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-6-ol
+CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOCC	BZU	(4r)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
+CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N	BZW	4-[(3~{s})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
+c1cc2c(cc1O)OCO2	BZX	1,3-benzodioxol-5-ol
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CCc2ccc(cc2)O)N)/N	BZY	(2r)-2-amino-n-{(2s)-1-[(4-carbamimidoylbenzyl)amino]-1-oxopropan-2-yl}-4-(4-hydroxyphenyl)butanamide
+c1ccc(cc1)CNN	BZZ	benzylhydrazine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	C	cytidine-5'-monophosphate
+Cc1cccc2c1C(=O)N(C2=O)c3cc(ccc3O)c4ccccc4	C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl-1h-isoindole-1,3(2h)-dione
+CCCc1cc2c(c(c1O[C@@H](c3ccc(cc3)C(C)C)C(=O)[O-])CCC)ON(C2=O)C	C01	(2s)-(4-isopropylphenyl)[(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-1,2-benzisoxazol-6-yl)oxy]acetate
+Cn1c2ccc(cc2nc1Cc3ccc(cc3)C(=N)N)NS(=O)(=O)c4ccccc4	C02	4-(5-benzenesulfonylamino-1-methyl-1h-benzoimidazol-2-ylmethyl)-benzamidine
+Cc1c(c2ccc(cc2n1Cc3cc(ccc3Cl)O[C@H](C)C(=O)O)OC(F)(F)F)c4c5ccc(cc5on4)OC	C03	(2r)-2-(4-chloro-3-{[3-(6-methoxy-1,2-benzisoxazol-3-yl)-2-methyl-6-(trifluoromethoxy)-1h-indol-1-yl]methyl}phenoxy)propanoic acid
+C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/c3csc(n3)N)SC1)C(=O)O	C04	(6r,7r)-7-({(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+C[C@H](C(=O)NCc1ccco1)Sc2nnnn2C3CCCC3	C05	(2~{r})-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-~{n}-(furan-2-ylmethyl)propanamide
+C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)OP(=O)(O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O	C06	[[(2s,3r,4s,5r)-5-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4s,5r,6r)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+Cc1ccc(cc1N2c3c(c(ncn3)N)C4=C(C2=O)CCCC4)O	C07	1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5h)-one
+[B-]1(n2c(ccc2CCCCCCCC)C=C3[N+]1=C(C=C3)CCCCC(=O)O)(F)F	C08	difluoro(5-{2-[(5-octyl-1h-pyrrol-2-yl-kappan)methylidene]-2h-pyrrol-5-yl-kappan}pentanoato)boron
+CCOCc1[nH]c2c3ccccc3nc(c2n1)N	C09	2-(ethoxymethyl)-1h-imidazo[4,5-c]quinolin-4-amine
+CNC(=O)[C@H](Cc1ccc(c(c1)Br)C(F)(F)P(=O)(O)O)NS(=O)(=O)C	C0A	3-bromo-4-[difluoro(phosphono)methyl]-n-methyl-nalpha-(methylsulfonyl)-l-phenylalaninamide
+CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)C)O	C0D	(2r)-2-hydroxy-3,3-dimethyl-n-[3-oxo-3-(pentylamino)propyl]butanamide
+c1cc(ccc1C(=O)C=CC(=C(C(=O)O)O)F)F	C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
+c1cnc(cc1C[C@@H](C(=O)N)N)C2=N[C@@H](CS2)C(=O)O	C0F	(4~{r})-2-[4-[(2~{s})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+CC(C)(C)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O	C0G	(2r)-n-(3-{[(2h-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide
+c1ccc(c(c1)Nc2ncnc(n2)N)Cl	C0H	~{n}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
+c1ccnc(c1)CCNc2cccc(c2C#N)F	C0J	2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile
+CN(C(=O)CC[C@@H](c1ccc(c(c1)F)F)P(=O)(O)O)O	C0K	{(1s)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid
+C/C=C/C/C=C(\C)/[C@@H](CC/C(=C/C=C(\C)/C(=C1C(=O)C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C)O	C0L	methyl [(1e,5r)-5-{(3e)-3-[(2e,4e,8r,9e,12e)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d ihydro-2h-pyran-6-yl}hex-1-en-1-yl]carbamate
+c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)CN(CC4)C(=O)CCN5CCCCC5)C#N	C0M	n-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}1-naphthalenecarboxamide
+C(/C=C\[C@H](C(=O)O)N)[C@@H](C(=O)O)N	C0O	(~{z},2~{r},6~{s})-2,6-bis(azanyl)hept-3-enedioic acid
+c1c(c(cc(c1OCCN2CCOCC2)Cl)Cl)c3cc(nc(n3)N)Cl	C0P	4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
+CN1c2c(cc3cc2OCCOC[C@H]4CNCCN4c5ncc(c(n5)N3)Cl)CCC1=O	C0Q	anilinopyrimidine ligand
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O	C0R	corticosterone
+c1ccc(cc1)c2nc(on2)C3CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F	C0S	1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C#C/C=C\C#C[C@@]\3(CC(=O)C(=C2/C3=C\CSSSC)NC(=O)OC)O)O)O)NO	C0T	calicheamicin t0
+c1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O	C0V	(2z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid
+c1ccc2c(c1)c(cs2)/C=C(/C(=O)O)\S	C0W	(~{z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid
+CC(=CCC/C(=C/CC/C(=C/CO[C@@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C	C0X	(2s)-3-dimethoxyphosphoryloxy-2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid
+CC(C)(C)c1cc(ccc1O)C(=O)N2CCOCC2	C0Y	(3-tert-butyl-4-hydroxyphenyl)morpholin-4-yl-methanone
+CN(C)[C@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl	C0Z	6-chloro-n-[(3s)-1-[(1s)-1-dimethylamino-2,3-dihydro-1h-inden-5-yl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide
+CCCCCCCCCCOCCOCCOCCOCCOCCOCCO	C10	hexaethylene glycol monodecyl ether
+CCCCCCCCCCC[P@H](=O)OCCCC	C11	undecyl-phosphinic acid butyl ester
+C[C@H]([C@@H](c1nc(c(n1CC=O)[O-])Cc2ccc(cc2)O)N)O	C12	2-(1-amino-2-hydroxypropyl)-4-(4-hydroxybenzyl)-1-(2-oxoethyl)-1h-imidazol-5-olate
+c1ccc(cc1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl	C13	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea
+CCCCCCCCCCCCCC	C14	tetradecane
+CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O	C15	n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate
+Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C#N	C16	4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzonitrile
+c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O	C17	7-[(3-chlorobenzyl)oxy]-2-oxo-2h-chromene-4-carbaldehyde
+CNCC1=CC(=O)Oc2c1ccc(c2)OCc3cccc(c3)Cl	C18	7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2h-chromen-2-one
+CC1=C(C(=O)N(C=C1)c2ccc3c(c2)NCC3(C)C)c4ccc5c(c4)cnc(n5)N	C19	3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1h)-one
+[H]/N=C(/N/C(=N\[H])/SCc1c(cc(c(c1)C)CS/C(=N/[H])/N/C(=N/[H])/N)C)\N	C1A	(2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(n-carbamimidoylcarbamimidothioate)
+[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3cc(cc(c3O)c4cc(ccc4O)CNC(=O)N)[C@@H](CC(=O)O)C(=O)O)\N	C1B	(2r)-2-[5-(5-carbamimidoyl-1h-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-ureidomethyl-biphenyl-3-yl]-succinic acid
+c1ccc2c(c1)ccc(c2c3c4ccccc4ccc3C(=O)O)C(=O)O	C1C	1,1'-binaphthalene-2,2'-dicarboxylic acid
+CC1C(CCC(N1)N)CNCCN2C(C(=NC=C2Cl)NCC(c3ccccn3)(F)F)O	C1D	1-(2-{[(6-amino-2-methylpyridin-3-yl)methyl]amino}ethyl)-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol
+c1ccc(cc1)C(=O)\C=C\C(=C(/C(=O)O)\O)\Cl	C1E	(2z,4e)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
+CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C	C1F	3-carboxy-4-methyl-5-propyl-2-furanpropionic
+C[C@H](c1ccsc1)NC(=O)C2(CCC2)C(=O)N[C@@H](CCCNC(=O)N)CN	C1G	n~1~-[(2s)-1-amino-5-(carbamoylamino)pentan-2-yl]-n'~1~-[(1r)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide
+c1cc(cc(c1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N)C(=O)OCCCCO[N+](=O)[O-]	C1H	4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate
+C[C@]12CC=C3C=C4[C@H]([C@@H]([C@H](C[C@]45CC[C@@]3([C@@H]1CC[C@@H]2c6ccc7ccncc7c6)O5)N(C)C)O)O	C1I	cortistatin a
+[H]/N=C(/NCCCCCCCC)\NCCC[C@@H](C(=O)O)N	C1J	n~5~-(n-octylcarbamimidoyl)-l-ornithine
+C1CCC(CC1)N[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	C1K	(1r,2s,3s,4r,5r)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol
+Cc1cc(cc2c1nc3c(c2CN4CCOCC4)c(n[nH]3)C)OC	C1L	6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1h-pyrazolo[3,4-b]quinoline
+c1cc(ccc1n2cnnn2)Cl	C1M	1-(4-chlorophenyl)-1h-tetrazole
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)CF)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	C1N	n-[(benzyloxy)carbonyl]leucyl-n~1~-[3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]leucinamide
+O=[Cu]	C1O	cu-o linkage
+CC(C)CC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCOCC3	C1P	n~2~-(morpholin-4-ylcarbonyl)-n-[(3s)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-l-leucinamide
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCc2ccccc2)O)O	C1Q	n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide
+C1CNCCC1CCCC=O	C1R	4-piperidinebutyrate
+C=CCSSC[C@@H](C(=O)O)N	C1S	3-(prop-2-en-1-yldisulfanyl)-l-alanine
+CC1=C(C(=O)[C@H]([C@@H](C1=O)O)SC[C@@H](C(=O)O)N)O	C1T	s-[(1s,6r)-3,6-dihydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-l-cysteine
+C[C@@H](CCC[C@H](CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O)O	C1U	2-[(~{e},6~{s},10~{s})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid
+c1ccc(c(c1)c2ccc(cc2)c3csc4c3C(=C(C(=O)N4)C#N)O)O	C1V	3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7h-thieno[2,3-b]pyridine-5-carbonitrile
+c1cc(ccc1Nc2c(cnc(n2)Nc3ccc(c(c3)Cl)C(=O)O)Cl)F	C1W	2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid
+C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/CS1)CC(=O)O)CCC(=O)O	C1X	(z)-n~6~-[(4r,5s)-5-(2-carboxyethyl)-4-(carboxymethyl)dihydro-2h-thiopyran-3(4h)-ylidene]-l-lysine
+CCC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	C1Y	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N	C1Z	guanosine 3'-diphosphate 5'-triphosphate
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)C)O)NC(=O)C	C20	acetyl-nh-val-cyclohexyl-ch2[nch2choh]ch2-benzyl-val-nh-acetyl
+c1cc(sc1)C(=O)O	C21	thiophene-2-carboxylic acid
+C([C@@H](C(=O)O)N)Cl	C22	3-chloro-l-alanine
+Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4	C23	1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one
+CCOC(=O)CCN(c1ccccn1)C(=O)c2ccc3c(c2)nc(n3C)CNc4ccc(cc4)C(=N)N	C24	3-({2-[(4-carbamimidoyl-phenylamino)-methyl]-3-methyl-3h-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid ethyl ester
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	C25	cytidine-5'-monophosphate
+CCCC[C@@H](CC)COS(=O)(=O)O	C26	(2r)-2-ethyl-1-hexanesulfonic acid
+C[C@]1(CC(=O)N(C(=N1)N)C)CCc2cccc(c2)c3cccc(c3)OC	C27	(6r)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one
+c1cc(ccc1[C@@H](C(F)(F)F)N[C@@H](CS(=O)(=O)N2CCOCC2)C(=O)NC3(CC3)CN)F	C28	n-[1-(aminomethyl)cyclopropyl]-3-(morpholin-4-ylsulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-l-alaninamide
+CN1CCOc2c1ccc(c2)C(=O)O	C29	4-methyl-3,4-dihydro-2h-1,4-benzoxazine-7-carboxylic acid
+c1cc(cc(c1)Cl)CN	C2A	1-(3-chlorophenyl)methanamine
+c1cc(ccc1CN)Cl	C2B	1-(4-chlorophenyl)methanamine
+Cl([Cu])[Cu]	C2C	cu-cl-cu linkage
+c1cc2c(cc1Cl)c(cs2)CNCCN3C(CN=C(C3O)NCCC4CCCCN4)Cl	C2D	6-chloro-1-(2-{[(5-chloro-1-benzothien-3-yl)methyl]amino}ethyl)-3-[(2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N	C2E	9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6h-purin-6-one)
+C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C2F	5-methyl-5,6,7,8-tetrahydrofolic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](CO)O)O)O	C2G	[cytidine-5'-phosphate] glycerylphosphoric acid ester
+C#C	C2H	acetylene
+c1nc2c(n1[C@H]3[C@H]([C@@H]4[C@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@H]5O)n6cnc7c6NC=NC7=O)O)O)NC=NC2=O	C2I	9-[(1r,6r,8r,9s,10r,15s,17r,18s)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3h-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3h-purin-6-one
+c1cc(ccc1c2ccc3c(c2)n[nH]c3NC(=O)C4CC4)O	C2J	n-[6-(4-hydroxyphenyl)-2h-indazol-3-yl]cyclopropanecarboxamide
+c1cc2c(cc1C[C@H](NC(=O)c3ccc(cc3OCCCCO2)C(F)(F)F)C(=O)NC4(CC4)CN)Cl	C2K	(3~{s})-~{n}-[1-(aminomethyl)cyclopropyl]-19-chloranyl-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide
+CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OCCOC)O	C2L	5-methyl-3'-o-methoxyethyl cytidine 5'-monophosphate
+Cc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl	C2M	5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
+C([C@H](C(=O)O)N)Cl	C2N	3-chloro-d-alanine
+O([Cu])[Cu]	C2O	cu-o-cu linkage
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O	C2P	cytidine-2'-monophosphate
+Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3[NH+](C)C)C(=O)O	C2Q	[(3~{r})-3-carboxy-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O	C2R	5-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)S)O	C2S	cytidine-5'-dithiophosphorate
+CC[N+](C)(C)NCCC(=O)O	C2T	3-(1-ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid
+c1c(cc(c(c1C(=O)O)O)Cl)Cl	C2U	3,5-dichloro-2-hydroxybenzoic acid
+CN(C)CCNC(=O)c1cccc(c1)c2cnc3n2nc(cc3)c4cccs4	C2V	n-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
+COc1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OCCCCO2)C(=O)NC4(CC4)C#N	C2W	(3~{s})-19-chloranyl-~{n}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide
+CO[C@@H]1[C@H]2[C@@H](CO[P@@](=O)(OCCCCCCONO[P@](=O)(O[C@@H]3[C@@H](CO[P@@](=O)(O[C@@H]4[C@@H](CO[P@@](=O)(O[C@H]5CN(C[C@@H]5CO[P@@](=O)(O2)O)Cc6c[nH]c7c6ncnc7N)O)O[C@H]([C@@H]4OC)n8cnc9c8NC(=NC9=O)N)O)O[C@H]([C@@H]3OC)n2cnc3c2ncnc3N)O)O)O[C@H]1n1cnc2c1NC(=NC2=O)N	C2X	9,9'-{(2r,3r,3ar,5s,7ar,9r,10r,10ar,12s,23r,25ar,27r,28r,28ar,30s,32ar,35ar,37s,39ar)-9-(6-amino-9h-purin-9-yl)-34-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2h,7h,25h-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6h-purin-6-one)
+COC(=O)c1c[nH]c2c1cccc2	C2Y	methyl 1h-indole-3-carboxylate
+c1cc(oc1c2cc(on2)O)P(=O)(O)O	C2Z	5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)C	C30	2-(acetylamino)-2-deoxy-1-o-[(s)-{[(r)-{[(2z,6z,10e,14e,18e)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCCN	C31	2'-o-3-aminopropyl cytidine-5'-monophosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O)O	C32	5-bromo-2'-deoxy-cytidine-5'-monophosphate
+CCC[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O	C33	2alpha-propyl-1alpha,25-dihydroxyvitamin d3
+CNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	C34	n4-methyl-2'-deoxy-cytidine-5'-monophosphate
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c2nc(n(n2)c3ccc(cc3)Cl)C	C35	n~2~-{[1-(4-chlorophenyl)-5-methyl-1h-1,2,4-triazol-3-yl]carbonyl}-n~5~-(diaminomethylidene)-l-ornithyl-l-leucyl-l-isoleucyl-4-fluoro-l-phenylalaninamide
+C1[C@@H]([C@H](O[C@H]1N2C[C@@](C(=NC2=O)N)(CO)F)COP(=O)(O)O)O	C36	5-methyl-5-fluoro-2'-deoxy-cytidine-5'-monophosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)COP(=O)(O)O)O	C37	5-fluoro-2'-deoxy-cytidine-5'-monophosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)COP(=O)(O)O)O	C38	5-iodo-2'-deoxy-cytidine-5'-monophosphate
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@H](CNC(=O)c1ccccc1OCCCOC)C(C)C)N)O	C39	n-[(2s,4s,5s,7r)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxooctyl]-2-(3-methoxypropoxy)benzamide
+C=CCOC(=O)N[C@H](CC[C@@H]1CCNC1)C(=O)c2nc(on2)Cc3ccc(cc3)C(=O)NC4Cc5ccccc5C4	C3A	allyl {(1s)-1-[(5-{4-[(2,3-dihydro-1h-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	C3B	4-amino-1-beta-d-glucopyranosylpyrimidin-2(1h)-one
+c1ccc(cc1)[C@H]2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCC5)O	C3D	(5r,6s)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
+c1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OC/C=C/CO2)C(=O)NC4(CC4)C#N	C3E	(3~{s},14~{e})-19-chloranyl-~{n}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCNC(=O)O	C3F	3-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propylcarbamic acid
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O	C3G	4-nitrophenyl beta-d-glucopyranosiduronic acid
+CCC[C@@](C)(CCO)SC[C@@H](C(=O)NCC(=O)O)N	C3H	2-[[(2~{r})-2-azanyl-3-[(3~{s})-3-methyl-1-oxidanyl-hexan-3-yl]sulfanyl-propanoyl]amino]ethanoic acid
+CNC(=O)c1c[nH]c2c1cc(cc2)N3CCCc4c3cc(c(c4)c5cnn(c5)C)C(F)F	C3J	5-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-n-methyl-1h-indole-3-carboxamide
+CCC(=O)NC[C@H]1CC[C@H]2C=C[C@H](N2C(=O)[C@H]1NC(=O)[C@H](C)NC)C(=O)NCc3ccccc3	C3K	(3~{s},6~{s},7~{r},9~{a}~{s})-6-[[(2~{s})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{n}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide
+C[C@@H](CCC[C@@H](CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O)O	C3L	2-[(~{e},6~{r},10~{s})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid
+c1ccc(cc1)C[C@@H]([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)O)N	C3M	n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide
+CCCO[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O	C3O	2alpha-propoxy-1alpha,25-dihydroxyvitamin d3
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O	C3P	cytidine-3'-monophosphate
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CCC34CC5CC(C3)CC(C5)C4	C3Q	n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide
+C[C@@H]\1CCC[C@@H]([C@H](OC(=O)[C@@H]([C@@H](/C=C1)O)O)/C(=C/[C@@H](C)C(=O)[C@H](C)[C@@H](CC(=O)O)OC)/C)C	C3R	carolacton
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C	C3S	cholest-5-en-3-yl hydrogen sulfate
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc3ccc(cc3)C(C)(C)C)CO)NC	C3T	(3~{s},6~{s},7~{s},9~{a}~{s})-~{n}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{s})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide
+Cn1cc(cn1)c2cc3c(cc2C(F)F)N(CCC3)c4ccc5c(c4)N(C(=O)S5)C	C3V	5-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-3-methyl-1,3-benzothiazol-2(3h)-one
+CN(Cc1ccc(cc1)F)C(=O)CC(=O)C(=O)O	C3W	4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid
+C1[C@@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O	C3X	(2r)-oxiran-2-ylmethyl beta-d-xylopyranoside
+C[C@](NO)(O)SC[C@@H](C(=O)O)N	C3Y	s-[(1s)-1-hydroxy-1-(hydroxyamino)ethyl]-l-cysteine
+c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5	C3Z	3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{h}-indazol-6-ol
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@@H](C)CNC(=O)c1ccccc1OCCCOC)N)O	C40	n-[(2r,4s,5s,7r)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl]-2-(3-methoxypropoxy)benzamide
+CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N	C41	aliskiren
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)N	C42	3'-amino-2'-deoxy-cytidine-5'-monophosphate
+COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	C43	2'-o-methyoxyethyl-cytidine-5'-monophosphate
+CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@H]4CCCc5c4cccc5)O	C44	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(1s)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
+CONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	C45	n4-methoxy-2'-deoxy-cytidine-5'-monophosphate
+C1CONC2=NC(=O)N(C=C21)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	C46	6h,8h-3,4-dihydropyrimido[4,5-c][1,2]oxazin-7-0ne(cytidine)-5'-monophosphate
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)(C)CC(=O)N1C[C@@H](Cc2c1cccc2)C(=O)OC)N)O	C47	methyl (3r)-1-[(5s,6s,8r)-5-amino-9-butylamino-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2h-quinoline-3-carboxylate
+CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2	C48	n1-(1-dimethylcarbamoyl-2-phenyl-ethyl)-2-oxo-n4-(2-pyridin-2-yl-ethyl)-succinamide
+[H]/N=C/1\[C@@](C(=S)N(C(=O)N1)C2C[C@@H]([C@H](O2)COP(=O)(O)O)O)(C)F	C49	4-thio,5-fluoro,5-methyl-2'-deoxy-cytidine-5'-monophosphate
+CCOC(=O)N[C@@H](CCCCN)C(=O)c1nc(on1)Cc2ccc(cc2)C(=O)NC3Cc4ccccc4C3	C4A	ethyl {(1s)-5-amino-1-[(5-{4-[(2,3-dihydro-1h-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]pentyl}carbamate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)O)O	C4B	1-beta-d-glucopyranosyl-1,3,5-triazinane-2,4,6-trione
+CN(C)CC[N@@](Cc1ccc(cc1)Cl)c2ccccn2	C4C	n-(4-chlorobenzyl)-n',n'-dimethyl-n-pyridin-2-ylethane-1,2-diamine
+CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(C)C)/C)/C)C	C4D	4,4'-diaponeurosporene
+c1ccc(cc1)Nc2c[nH]c3c2cccn3	C4E	n-phenyl-1h-pyrrolo[2,3-b]pyridin-3-amine
+COc1cccc(c1)Cc2c[nH]c3c2cccn3	C4F	3-(3-methoxybenzyl)-1h-pyrrolo[2,3-b]pyridine
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCCN	C4G	n~5~-[n-(3-aminopropyl)carbamimidoyl]-l-ornithine
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)CCS	C4H	n-[4-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)butyl]-3-sulfanylpropanamide
+CN1C=C(C(=O)N(C1=O)CC[C@@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O	C4J	(5s)-5-{3-[(3s)-3-amino-3-carboxypropyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}-2,5-anhydro-1-o-phosphono-l-arabinitol
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc5c(c4)OCO5	C4K	~{n}-(1,3-benzodioxol-5-yl)-~{n}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{h}-indazole-5-carboxamide
+CCCC(=O)N[C@@H](CCO)C(=O)O	C4L	n-butanoyl-l-homoserine
+Cc1cc(c(c(c1S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)N)O)C)C)OC	C4M	n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccc(cc4)Cl	C4N	~{n}-[(4-chlorophenyl)methyl]-~{n}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{h}-indazole-5-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CSCc2ccccc2)C=O)NC(=O)N3CCOCC3	C4P	n-[(1r)-2-(benzylsulfanyl)-1-formylethyl]-n-(morpholin-4-ylcarbonyl)-l-phenylalaninamide
+c1ccc2c(c1)c(ccn2)CN3CCNCCNCCNCC3	C4Q	4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline
+C1C[C@@H]2C3[C@H]1C4=C2[Rh+]4[S@H]3C[C@@H](C(=O)O)N	C4R	(r)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium
+C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	C4S	2'-deoxy-4'-thiocytidine 5'-(dihydrogen phosphate)
+CN(Cc1ccc(cc1)Cl)C(=O)c2cc3c(cc2O)[nH]nc3Cc4ccccc4	C4T	~{n}-[(4-chlorophenyl)methyl]-~{n}-methyl-6-oxidanyl-3-(phenylmethyl)-1~{h}-indazole-5-carboxamide
+Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)CC(C)C)[C@H]3C[C@H]3C(=O)O	C4V	(1r,2s)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N=[N+]=[N-])CO)O)O	C4W	1-azido-beta-n-acetyl-d-glucosamine
+C1[C@H](O1)CCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O	C4X	3,4-epoxybutyl-beta-d-xyloside
+c1ccc(cc1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N	C4Y	1-(4-aminobenzyl)-3-{2-oxo-2-[(2r)-2-phenylpyrrolidin-1-yl]ethyl}urea
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H](CC4CCCCC4)C(=O)O)O)O)O)O	C4Z	(2~{r})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[(1~{r},2~{r})-2-[(2~{s},3~{s},4~{r},5~{s},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid
+CC1(N=C(N=C(N1OCCCOc2cccc(c2Cl)Cl)N)N)C	C50	1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
+C[C@H](C1CCC(CC1)c2ccnc3c2cccc3)C(=O)Nc4ccc(cc4)C#N	C51	(2r)-n-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide
+CC1=C(C(=O)N(C=C1)c2cccc(c2)C(F)(F)F)c3ccc4c(c3)cnc(n4)N	C52	3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1h)-one
+[H]/N=C\1/NC(=O)/C(=C\c2ccccn2)/S1	C53	2-imino-5-(1-pyridin-2-yl-meth-(e)-ylidene)-1,3-thiazolidin-4-one
+C1C[C@H](C=C1)C(=O)O	C54	(1r)-cyclopent-2-ene-1-carboxylic acid
+CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-]	C56	4-(dimethylamino)-n-{[(2r)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide
+CCN1CCC[C@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-]	C57	4-(dimethylamino)-n-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide
+c1ccc(cc1)C[C@@H](CNc2c3c4c(sc3nc(n2)c5ccncc5)CCCC4)N	C58	(2s)-3-phenyl-n~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine
+C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N	C5A	(1s,3s)-1-aminocyclopentane-1,3-dicarboxylic acid
+C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N	C5B	(1s,3r)-1-aminocyclopentane-1,3-dicarboxylic acid
+C1CCC(C1)SSC[C@@H](C(=O)O)N	C5C	s-cyclopentyl thiocysteine
+CC1([C@@H](CC[C@]1(C)CCC#CC(C(F)(F)F)(C(F)(F)F)O)\C=C\C=C2C[C@H](C[C@@H](C2)O)O)C	C5D	(1r,3r)-5-[(2e)-3-{(1s,3r)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol
+C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2	C5E	(1r,5s)-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
+CC(C)(C(=O)O)Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl	C5F	2-{4-[(1s)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	C5G	[cytidine-5'-phosphate]-beta-glucosyl-phosphoric acid ester
+C1CCC(CC1)C[C@@H](C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3CCCC[C@H]3O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)CO)O	C5H	(2~{s})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{r},2~{r})-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid
+c1c[nH]c2c1c3c(cn2)nnn3[C@@H]4CCCN(C4)C(=O)CC#N	C5I	3-oxo-3-[(3r)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6h)-yl)piperidin-1-yl]propanenitrile
+C(=O)(N)NC(=O)N	C5J	dicarbonimidic diamide
+C[C@H]1CCC[C@H]([C@@H]1O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C(F)(F)F)O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)O)O	C5K	(2~{s})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[(1~{r},2~{r},3~{s})-3-methyl-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid
+CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC	C5L	2'-o-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate)
+Cc1cc(c(c(c1S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)NCc3cccc(c3)Cl)O)C)C)OC	C5M	n-{(2r,3s)-3-[(3-chlorobenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzenesulfonamide
+CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC3)CC	C5N	~{n}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	C5P	cytidine-5'-monophosphate
+c1ccc2c(c1)c(c[nH]2)Cc3ccc4c(c3C(=O)O)OCO4	C5Q	5-(1h-indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid
+CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C	C5R	(2s)-2-[[(1r,4as,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1h-indol-3-yl)propanoic acid
+C([C@H](C(=O)O)NC=O)C(=O)O	C5S	n-formyl-d-aspartic acid
+CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2N(=O)=O)C(=O)OC	C5U	dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
+c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)[C@H]4C[C@@H]4c5cccnc5	C5V	(1s,2s)-n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
+CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)O	C5W	2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{h}-indazol-6-yl]pyridine-3-carboxylic acid
+C1[C@H](O1)CCCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O	C5X	3-[(2r)-oxiran-2-yl]propyl beta-d-xylopyranoside
+CCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	C5Y	5'-o-[(s)-hydroxy(octanoyloxy)phosphoryl]adenosine
+CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)OC	C5Z	methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{h}-indazol-6-yl]pyridine-3-carboxylate
+CCCCNC(=O)C(CC(C(CC1CCCCC1)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc3ccccc3)CS(=O)(=O)C(C)(C)C)O)C(C)C	C60	[[[3-(2-methyl-propane-2-sulfonyl)-1-benzenyl]-2-propyl]-carbonyl-histidyl]-amino-[cyclohexylmethyl]-[2-hydroxy-4-isopropyl]-pentan-5-oic acid butylamide
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@H](Cc1ccc(c(c1)OCCCOC)OC)C(C)C)N)O	C61	(2r,4s,5s,7s)-5-amino-n-butyl-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,8-dimethylnonanamide
+c1cc(ccc1c2ccc(o2)\C=C/3\C(=O)NC(=O)S3)S(=O)(=O)N	C62	4-{5-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide
+CCCCCCOC[C@H](COP(=O)(CCCCC)O)OCCCCCC	C63	(2r)-2,3-bis(hexyloxy)propyl hydrogen (s)-pentylphosphonate
+c1ccc2c(c1)nc(n2CC(=O)Nc3ccc(cc3)Br)c4nccs4	C64	n-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]acetamide
+c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C(=O)NO	C65	(2e)-n-hydroxy-3-{4-[(e)-phenyldiazenyl]phenyl}prop-2-enamide
+C1=CN(C(=O)N=C1N)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O	C66	2-aminoethyllysine-carbonylmethylene-cytosine
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCC(=O)O	C67	n~5~-[n-(2-carboxyethyl)carbamimidoyl]-l-ornithine
+CC(C)C[C@@H](C(=O)O)OC(=O)N[C@@H](CCC(=O)O)C(=O)O	C68	(2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid
+COc1ccc(c(c1)OC)N2[C@@H](SCC2=O)c3cccc(c3)Br	C69	(2s)-2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@H]2C[C@@H](Oc3c2cc(cc3)CC(C)(C)C)C4CC4)O	C6A	n-[(2s,3r)-4-{[(2r,4s)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2h-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
+C1=CN(C(=O)N=C1N)[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)OP(=O)(O)O)O	C6B	[(2s,3s,4r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
+C1CCC(CC1)SSC[C@@H](C(=O)O)N	C6C	s-cyclohexyl thiocysteine
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCCO	C6D	n~5~-[n-(3-hydroxypropyl)carbamimidoyl]-l-ornithine
+CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5	C6F	6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2OCC(=O)O)N	C6G	6-(carboxymethoxy)-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purin-2-amine
+COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)CC4CCCCC4)Cl	C6H	1-(7-chloranyl-4-methoxy-1~{h}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one
+C[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O	C6J	[2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid
+COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)Cc4ccccc4)Cl	C6K	1-(7-chloranyl-4-methoxy-1~{h}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one
+CCCCCC(=O)N[C@@H](CCO)C(=O)O	C6L	n-hexanoyl-l-homoserine
+CCC[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O	C6M	[1-phosphono-2-(1-propylpyridin-2-yl)ethyl]phosphonic acid
+C1CCC(CC1)CCCCC(CCCCC2CCCCC2)(CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O	C6N	6-cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-o-(alpha-d-glucopyranosyl)-beta-d-glucopyranosyl]oxy}methyl)hexyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CCC(=O)N1CCC[C@@H](C1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)C(=C(C2=O)c6cccc(c6Cl)F)C	C6O	6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3s)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O	C6P	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-cysteine
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCc2ccccc2)O)O	C6Q	n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide
+C[C@]1([C@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF	C6R	n-[3-[(4s,5r)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)C3CCCCC3)O	C6S	(3r)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NP(=O)(CP(=O)(O)O)O)O)O	C6T	2'-deoxy-5'-o-[(s)-hydroxy{[(r)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine
+C[C@]1(CCSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)Cl	C6U	n-[3-[(4s)-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carboxamide
+CC(c1cc(ccc1c2c(c3ccc(cc3s2)O)Oc4ccc(cc4)/C=C/C(=O)O)F)(F)F	C6V	lsz102
+C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1	C6W	3-cyclohexyl-1-propylphosphocholine
+CN1C2=Cc3cccnc3N(c4c2c(ccc4)C1=O)Cc5cccc(c5)C(=O)N	C6X	3-((1-methyl-2-oxo-1,2,2a1,5a-tetrahydro-6h-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-6-yl)methyl)benzamide
+c1cc(c(cc1Cl)Cl)Cc2ccc(nn2)S	C6Z	6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol
+c1ccc(c(c1)CCC(=O)NO)NC(=O)c2cccc(c2)C(F)(F)F	C7	n-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide
+c1cc(ccc1c2cc3c(s2)c(nnc3N[C@H]4CCCNC4)C(=O)N)Cl	C70	2-(4-chlorophenyl)-4-[(3s)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide
+C/C(=N\S(=O)(=O)c1ccccc1)/N[C@@H](CC2(CCCC2)C)C(=O)NC3(CCS(=O)(=O)CC3)CN	C71	n-[4-(aminomethyl)-1,1-dioxidotetrahydro-2h-thiopyran-4-yl]-3-(1-methylcyclopentyl)-n~2~-[(1e)-n-(phenylsulfonyl)ethanimidoyl]-l-alaninamide
+c1cc(ccc1c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N)Cl	C72	2-(4-chlorophenyl)-4-[(3s)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide
+c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3)Cl	C73	2-(carbamoylamino)-5-(4-chlorophenyl)-n-[(3s)-piperidin-3-yl]thiophene-3-carboxamide
+[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)S(=O)(=O)NC)/S1	C75	4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-furyl}-n-methylbenzenesulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)(F)F)O)O)O	C76	2,2,2-tris(fluoranyl)-n-[(2r,3r,4r,5s,6r)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
+CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)Cn5cc(nn5)CCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C	C77	5'-deoxy-2',3'-o-(1-methylethylidene)-5'-(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)adenosine
+c1cc(cc(c1)N)COC(=O)N[C@@H](Cc2ccc(cc2)OP(=O)(O)O)C(=O)NC3(CCCCC3)C(=O)N[C@@H]4CCCC[C@@H]4C(=O)N	C78	[1-[1-(6-carbamoyl-cyclohex-2-enylcarbamoyl)-cyclohexylcarbamoyl]-2-(4-phosphonooxy-phenyl)- ethyl]-carbamic acid 3-aminobenzylester
+CCc1c(c(nc(c1C#N)S[C@H](c2ccc(cc2)C(F)(F)F)C(=O)N)N3CCC(CC3)N)C#N	C79	(2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide
+CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)CCl	C7A	n-(4-tert-butylphenyl)-2-chloro-n-[(1r)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide
+c1cc(ccc1OCC(=O)NC2CCC(CC2)NC(=O)COc3ccc(cc3)Cl)Cl	C7B	2-(4-chloranylphenoxy)-~{n}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide
+c1cc(ccc1Sc2c(nns2)C(=O)[O-])Cl	C7C	5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]4[C@H]([C@@H]([C@@H](O4)O[C@H]5[C@H]([C@H](O[C@@H]5n6cnc7c6ncnc7N)COP(=O)(O)OP(=O)(O)O)O)O)O)O)O)N	C7G	[(2~{r},3~{s},4~{s},5~{s})-5-(6-aminopurin-9-yl)-4-[(2~{s},3~{s},4~{s},5~{s})-5-[[[[(2~{r},3~{r},4~{s},5~{s})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
+CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1	C7H	4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine
+CC(C)CN(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)Cl)O)S(=O)(=O)c4ccc(cc4)N	C7J	(3r,3as,4r,6as)-4-chlorohexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+c1cc(c2c(c1NCCCCCCCCCCCC(=O)O)non2)N(=O)=O	C7K	12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=O)(=O)c4ccc(cc4)N	C7L	(3r,3as,4r,6ar)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+COc1ccc(cc1)S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)[NH2+]Cc3cc(ccc3N4C=NNN4)Cl)O	C7M	(2s,3r)-n-[5-chloro-2-(2,3-dihydro-1h-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbuta n-2-aminium
+CN1CCC(=C2c3ccccc3C=Cc4c2ccc(c4)O)CC1	C7N	2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol
+C[C@]1(C2(CCS(=O)(=O)CC2)CSC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF	C7O	n-[3-[(5r)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+C1=CC=[N](C=C1)[Pt+2]([NH3])([NH3])Cl	C7P	cis-diammine(pyridine)chloroplatinum(ii)
+[H]/N=C\C1(CC1)NC(=O)[C@@H]2Cc3ccc(c(c3)Cl)OC/C=C/CCc4ccccc4C(=O)N2	C7Q	(3~{s},14~{e})-19-chloranyl-~{n}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O	C7R	2'-deoxy-5'-o-thiophosphonocytidine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O	C7S	2'-deoxy-5'-o-thiophosphonocytidine
+c1cc2c(cc1C[C@H](NC(=O)c3cc(ccc3OC/C=C/CO2)C4CNC4)C(=O)NC5(CC5)C#N)Cl	C7T	(3~{s},14~{e})-8-(azetidin-3-yl)-19-chloranyl-~{n}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)Cl)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC	C7U	(3r,3as,4r,6as)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+Cc1cnoc1C(=O)Nc2c3ccccc3n(n2)Cc4ccc(cc4)C(F)(F)F	C7V	4-methyl-n-(1-{[4-(trifluoromethyl)phenyl]methyl}-1h-indazol-3-yl)-1,2-oxazole-5-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCC(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC	C7W	(3r,3as,4r,6ar)-4-(3,3,3-trifluoropropoxy)hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+C[C@]1([C@@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF	C7X	n-[3-[(4s,5s)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+C[C@@H](c1ccc2c(n1)cc[nH]2)Nc3nccc(n3)Nc4cc([nH]n4)C5CC5	C7Y	n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-n~2~-[(1s)-1-(1h-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine
+CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](CC2(C)C)O)C)\C)\C)/C)/C	C7Z	(1~{s})-3,5,5-trimethyl-4-[(1~{e},3~{e},5~{e},7~{e},9~{e},11~{e},13~{e},15~{e},17~{e})-3,7,12,16-tetramethyl-18-[(4~{s})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
+CCCCNC(=O)[C@H](C)CC([C@H](C[C@H](C)COC(=O)c1cn(c2c1cccc2)Cc3ccccc3)N)O	C80	(2s,4s,5r,7r)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl 1-benzyl-1h-indole-3-carboxylate
+Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)[C@H](C)F	C81	(4r)-4-[(1s)-1-fluoroethyl]-3-[2-({(1s)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
+c1cc(ccc1Nc2cnn[nH]2)Cl	C82	~{n}-(4-chlorophenyl)-1~{h}-1,2,3-triazol-5-amine
+C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF)F	C83	n-[3-[(4r,5r,6r)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+CC(C)[C@@H]([C@H](C(=O)NP(=O)(O)O[C@@H]1C[C@@H]([C@@H](O1)n2cnc3c2ncnc3NP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O)CO)O)O)O)O)O	C84	[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-n-[9-[(2r,3s,5r)-5-[[[(2r,3s)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid
+[H]/N=C/1\NC(=O)C(=Cc2ccc(o2)c3ccc(cc3)S(=O)(=O)N)S1	C85	4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide
+C[C@]1(C[C@H](SC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF	C86	n-[3-[(4s,6s)-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)C(=O)NCC#N	C87	momelotinib
+Cc1cc(ccc1OC)c2c3c(ncnc3n(n2)CC4CCNCC4)N	C88	3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CN1CCN(CC1)C(=O)c2cccc(c2)CN3c4cccc5c4C(=Cc6c3nccc6)N(C5=O)C	C89	1-methyl-6-(3-(4-methylpiperazine-1-carbonyl)benzyl)-1,2a1,5a,6-tetrahydro-2h-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-2-one
+c1ccc(cc1)Cc2ccc(cc2)NC(P(=O)(O)O)P(=O)(O)O	C8A	{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)
+CN1[C@H](C(=O)N([C@](C1=O)(Cc2ccccc2)O)C)Cc3c[nH]c4c3c(ccc4)[N+](=O)[O-]	C8B	(3~{r},6~{s})-1,4-dimethyl-6-[(4-nitro-1~{h}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione
+c1cc(cc2c1cc[nH]2)CCC3=CC(=O)NC(=N3)N	C8C	2-amino-6-[2-(1h-indol-6-yl)ethyl]pyrimidin-4(3h)-one
+B([C@H](CCO)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC2CCCC2)Oc3c4ccccc4ccn3)(O)[O-]	C8D	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-{(1r)-3-hydroxy-1-[hydroxy(oxido)boranyl]propyl}-4-(isoquinolin-1-yloxy)-l-prolinamide
+CCCCCCCCOCCOCCOCCOCCO	C8E	(hydroxyethyloxy)tri(ethyloxy)octane
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccc(cc2)F)O)O	C8F	8-(4-fluorophenyl)-n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide
+CCC(=O)N1CC(C1)N2CCN(CC2)C(=O)CNc3cc(c(cc3O)Cl)Cl	C8G	1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one
+CN1[C@H](C(=O)N([C@H](C1=O)Cc2c[nH]c3c2c(ccc3)[N+](=O)[O-])C)Cc4ccccc4	C8H	(3~{s},6~{s})-1,4-dimethyl-3-[(4-nitro-1~{h}-indol-3-yl)methyl]-6-(phenylmethyl)piperazine-2,5-dione
+c1cc(cc(c1)C(=O)N)CCN(CCC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	C8J	(2~{r})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid
+c1cc2c(cc1CNC(=O)c3c(cc(cn3)Br)F)OCO2	C8K	~{n}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide
+C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C%16N(C5=O)CN5C%17C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C(=O)N%16CN%17C1=O	C8L	cucurbit[8]uril
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCC(=O)N)O)O)N	C8M	3-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e
+C[NH+](C)C1=C2N([C@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4	C8N	[(3~{s})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
+c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCN	C8O	2-(2-azanylethylamino)-5-nitro-benzoic acid
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O	C8P	n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide
+COC1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4	C8Q	(3~{r})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(nc3N)C(=O)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)O)O)O)O)O)O	C8R	8-amino-n1-cyclic inosine 5'-diphosphoribose
+C1[C@@H]2C[C@@H]2N([C@@H]1CN)C(=O)[C@H](C34CC5C[C@](C3)(C[C@@](C5)(C4)O)O)N	C8S	(2s)-2-amino-1-[(1s,3s,5s)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3r,5s,7s)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one
+CC1=C([C@@H](C(=C(N1)C)N(=O)=O)c2ccccc2C(F)(F)F)C(=O)OC	C8U	methyl (4~{s})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
+C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@H](CN2C=O)NOS(=O)(=O)O	C8V	(2s,5r)-1-formyl-n'-[(3r)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide
+COc1ccc(cc1OCCCC(=O)O)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N	C8W	4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid
+c1cc(ccc1C(=O)OCCO)C(=O)OCCO	C8X	bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C#N	C8Y	(2s,5r)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile
+c1ccc(cc1)[C@H]2CCCN2c3ccnc4c3cc[nH]4	C8Z	4-[(2~{r})-2-phenylpyrrolidin-1-yl]-1~{h}-pyrrolo[2,3-b]pyridine
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)O	C90	n-{(1s,2r)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide
+c1ccc2cc(ccc2c1)NC(=O)Cn3c4ccccc4nc3c5ccccn5	C91	n-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1h-benzimidazol-1-yl]acetamide
+Cc1ccc(cc1C(=O)Nc2ccc(nc2)N)C(=O)NCCC3CCCC3	C92	n'-(6-aminopyridin-3-yl)-n-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide
+c1cc(c(c(c1)N2CCC(CC2)O)C(=O)O)C(=O)O	C93	3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid
+[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)N)/S1	C94	4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-2-(trifluoromethyl)benzenesulfonamide
+[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)C(=O)O)/S1	C95	4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
+[H]/N=C/1\NC(=O)/C(=C(\C)/c2ccc(o2)c3ccc(cc3)S(=O)(=O)N)/S1	C96	4-{5-[(1z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]-2-furyl}benzenesulfonamide
+c1cc(oc1)CN(CCc2ccc(cc2)S(=O)(=O)N)C(=O)CN	C97	n-[(furan-2-yl)methyl]-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide
+c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)Nc3cccc(c3)C(=O)O	C98	3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid
+C[C@H]([C@@H]([C@]1(NC(=O)C(=O)N1CC(=O)O)O)N)O	C99	{(2r)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-2-hydroxy-4,5-dioxoimidazolidin-1-yl}acetic acid
+CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4)S(=O)(=O)C)C(=O)OCc5ccc(cc5)Cl	C9A	4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
+c1ccc(cc1)[C@H]2COCCN2c3ccnc4c3c[nH]n4	C9B	(3~{s})-3-phenyl-4-(2~{h}-pyrazolo[3,4-b]pyridin-4-yl)morpholine
+c1cc(ccc1C(=O)O)C(=O)OCCO	C9C	4-(2-hydroxyethyloxycarbonyl)benzoic acid
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)[C@@H]2CCNC2	C9D	(2s,5r)-1-formyl-n'-[(3r)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide
+CCOC(=O)c1ccnc2c1cc[nH]2	C9E	ethyl 1h-pyrrolo[2,3-b]pyridine-4-carboxylate
+CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC	C9F	[(2~{s},3~{s})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
+CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O	C9G	2-[1-(4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7h)-one
+CCCCCSc1[nH]ncn1	C9H	5-(pentylsulfanyl)-1h-1,2,4-triazole
+CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O	C9J	2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7h)-one
+C[C@@H](CNCCO)N	C9K	2-[[(2~{s})-2-azanylpropyl]amino]ethanol
+CCc1c(nc(nc1N2CCCCC2)N)NC	C9L	5-ethyl-n4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
+COC/C=C/c1ccc(c(c1)OC)O	C9M	2-methoxy-4-[(1e)-3-methoxyprop-1-en-1-yl]phenol
+C[C@@H](CN(C)CCO)N	C9N	2-[[(2~{s})-2-azanylpropyl]-methyl-amino]ethanol
+COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc(c5)Br)F	C9O	~{n}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{h}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]-3-bromanyl-benzenesulfonamide
+B(c1ccc(c(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)C(=O)O)(O)O	C9P	4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid
+CCNC(=O)c1cc2c(ccnc2[nH]1)c3cccc(c3)Cl	C9Q	4-(3-chlorophenyl)-~{n}-ethyl-1~{h}-pyrrolo[2,3-b]pyridine-2-carboxamide
+COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc6c5cccc6)F	C9R	~{n}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{h}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide
+CCCCCC[C@@H](C)C(=O)O	C9T	(2~{r})-2-methyloctanoic acid
+CCn1cc(c(n1)c2cccnc2)c3ccnc(n3)Nc4ccc(cc4)N5CCNCC5	C9U	4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{n}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
+[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCC(=O)O[C@H](COP(=O)(O)OC[C@H](COC(=O)C)OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC)C)C)(F)F	C9V	[(2r,5r,11r,14s,24e)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1h-pyrrol-2-yl-kappan)-5-(3,5-dimethyl-2h-pyrrol-2-ylidene-kappan)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9e)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9e)-octadec-9-enoatato](difluoro)boron
+Cc1cc2c(cc1F)OC[C@H]([C@H]2O)NS(=O)(=O)c3cc(c([nH]3)C)C(=O)N4CC(C4)(C)C#N	C9W	4-(3-cyano-3-methylazetidine-1-carbonyl)-n-[(3r,4s)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2h-1-benzopyran-3-yl]-5-methyl-1h-pyrrole-2-sulfonamide
+CC1=C([C@H](C(=C(N1)C)P2(=O)OCC(CO2)(C)C)c3cccc(c3)[N+](=O)[O-])C(=O)OCCN(Cc4ccccc4)c5ccccc5	C9X	2-[phenyl-(phenylmethyl)amino]ethyl (4~{r})-5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
+c1cc(c(cc1n2cc(nn2)c3ccc4c(n3)C(=O)N(C=C4)CC(=O)O)F)O	C9Y	{2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8h)-yl}acetic acid
+CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@H]6[C@@H]([C@@H](CN6C5)O)O)c7ccc(cc7)OC	C9Z	(9~{s},10~{s},11~{r})-~{n}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide
+[Ca+2]	CA	calcium ion
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)N)O)O)N	CA0	5'-o-[(s)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine
+CCC(=O)OCC	CA1	ethyl propionate
+c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O	CA2	(1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCCC(=O)NCCc4c[nH]c5c4cccc5)O	CA3	coa-s-trimethylene-acetyl-tryptamine
+CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C	CA4	cyproterone acetate
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cc(cc5)Br)O	CA5	coa-s-acetyl 5-bromotryptamine
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)C)O	CA6	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-4-[[3-(4-methylsulfonylbutylamino)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+C1CCC(CC1)CCCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	CA7	7-cyclohexylheptyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)c4ccccc4)O	CA8	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[4-(phenylsulfonyl)butylamino]propyl]amino]butyl] hydrogen phosphate
+C[C@H]1[C@@H](CC(=C[C@H]1O)C#CC2=CCC[C@]3([C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O	CA9	(1r,2s,3r)-5-[2-[(1r,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol
+CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CAA	acetoacetyl-coenzyme a
+C([C@@H](C(=O)O)N)C(C=O)(O)O	CAB	4,4-dihydroxy-5-oxo-l-norvaline
+C[As](=O)(C)[O-]	CAC	cacodylate ion
+C[As](=O)(C)O	CAD	cacodylic acid
+CC1(C2CCC1(CC2)C)C	CAE	camphane
+C[As](=O)(C)SC[C@@H](C(=O)O)N	CAF	s-dimethylarsinoyl-cysteine
+C[C@H](c1ccccc1[N+](=O)[O-])O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	CAG	guanosine 5'-triphosphate p3-[1-(2-nitrophenyl)ethyl ester]
+CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C	CAH	5-exo-hydroxycamphor
+C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](C[C@H]2[C@@H](O2)\C=C\C1=O)C)OC(=O)C)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O	CAI	carbomycin a
+CCOC(=O)CCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CAJ	ethyl 5-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]pentanoate
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)COP(=O)(O)O	CAK	[(1r,2r,3s,4s,5r)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate
+CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O	CAL	5-amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid
+CC1([C@@H]2CC[C@]1(C(=O)C2)C)C	CAM	camphor
+C(CON)[C@@H](C(=O)O)N	CAN	canaline
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O	CAO	oxidized coenzyme a
+C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O	CAP	2-carboxyarabinitol-1,5-diphosphate
+c1ccc(c(c1)O)O	CAQ	catechol
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	CAR	cytosine arabinose-5'-phosphate
+C[As](C)SC[C@@H](C(=O)O)N	CAS	s-(dimethylarsenic)cysteine
+CCCCCCCCCCCC[N+](C)(C)C	CAT	dodecane-trimethylamine
+CC(C)NC[C@@H](COc1cccc2c1c3ccccc3[nH]2)O	CAU	(2s)-1-(9h-carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
+CC(C)[C@H]([C@H]([C@@H]([C@H](CC1CCCCC1)N)O)O)C(=O)O	CAV	5-amino-6-cyclohexyl-3,4-dihydroxy-2-isopropyl-hexanoic acid
+c1ccc2c(c1)cccc2C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	CAW	n-[[(2r,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-1-carboxamide
+C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O	CAX	(2s,4s)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentanone
+C([C@@H](C(=O)O)N)SCC(=O)O	CAY	carboxymethylenecysteine
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O	CAZ	acylated ceftazidime
+C(=C\Br)\Br	CB0	cis-dibromoethene
+c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N	CB1	5-(aziridin-1-yl)-2,4-dinitrobenzamide
+C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)Br	CB2	phosphoric acid mono-[5-(4-amino-5-bromo-2-oxo-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester
+C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	CB3	10-propargyl-5,8-dideazafolic acid
+B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)(O)O	CB4	pinacol[[2-amino-alpha-(1-carboxy-1-methylethoxyimino)-4-thiazoleacetyl]amino]methaneboronate
+[B@H]12[BH]345[BH]167[BH]389[BH]413[BH]54[BH]115[BH]383[CH]966[CH]722[Co]3611367([BH]524)[BH]24[BH]115[BH]228[BH]119[BH]353[BH]115[BH]922[BH]88[BH]211[CH]684[CH]7153	CB5	cobalt bis(1,2-dicarbollide)
+Cc1ccc2c(c1)cc(s2)COC3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O	CB6	(1r,4s,5r)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid
+c1cc2c(ccs2)cc1CC3=C([C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O)OCc4ccc5c(c4)ccs5	CB7	(1r,4s,5r)-3-(benzo[b]thiophen-5-yl)methoxy-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxycyclohex-2-ene-1-carboxylate
+c1ccc2c(c1)cc(s2)COC3=C([C@](C[C@H]([C@@H]3O)O)(C(=O)O)O)Cc4cccs4	CB8	(1r,4s,5r)-3-(benzo[b]thiophen-2-yl)methoxy-1,4,5-trihydroxy-2-(thien-2-yl)methylcyclohex-2-en-1-carboxylate
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@H](c2ccccc2)C(=O)O)C(=O)O)C	CB9	(2r,4s)-2-[(1r)-1-{[(2s)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@]([C@H](C(=O)O)O)(C(=O)O)O)O	CBA	n-pyridoxyl-2,3-dihydroxyaspartic acid-5-monophosphate
+[H]/N=C(/c1cccc(c1)Cn2c3ccccc3cc2C(=O)OCc4cccc(c4)/C(=N\[H])/N)\N	CBB	1-(3-carbamimidoyl-benzyl)-1h-indole-2-carboxylic acid 3-carbamimidoyl-benzylester
+c1ccc(c(c1)C(F)(F)F)S(=O)(=O)NNC(=O)c2cc3cc(ccc3o2)Cl	CBC	n'-(5-chlorobenzofuran-2-carbonyl)-2-(trifluoromethyl)benzenesulfonohydrazide
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O	CBD	cibacron blue
+CC1=C(SCCO1)C(=O)Nc2ccccc2	CBE	2-methyl-n-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(C(=O)N)O)O)O)O)O	CBF	(2r,3r,4s,5s,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide
+CCC=O	CBG	propanal
+C(CCSCC[C@@H](C(=O)O)N)CC(=O)O	CBH	s-(d-carboxybutyl)-l-homocysteine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	CBI	cellobiose
+c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4	CBJ	6-[(5-bromo-2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	CBK	4-o-beta-d-glucopyranosyl-alpha-d-glucopyranose
+c1cc(ccc1CCCC(=O)O)N(CCCl)CCCl	CBL	chlorambucil
+CC(=O)O	CBM	carboxymethyl group
+Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3Cl)OC(=O)C(=C4O)NC(=O)c5ccc(c(c5)CC=C(C)C)O)O	CBN	clorobiocin
+CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C	CBO	carbenoxolone
+c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO	CBP	2-{4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-tetrahydro-pyran-4-yl}-n-hydroxy-acetamide
+c1cc(ncc1Cl)NC(P(=O)(O)O)P(=O)(O)O	CBQ	[(5-chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O)O	CBR	5-bromo-2'-deoxy-cytidine-5'-monophosphate
+c1cc(ccc1CN(Cc2ccc(cc2)Cl)c3n[nH]nn3)Cl	CBT	n,n-bis(4-chlorobenzyl)-1h-1,2,3,4-tetraazol-5-amine
+C1(C(C(C(C(C1O)O)O)O)O)O	CBU	(1r,2r,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)Br	CBV	5-bromocytidine 5'-(dihydrogen phosphate)
+CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C	CBW	(3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid
+C(=O)O	CBX	carboxy group
+CC1=C2[C@]([C@H]([C@H]3[N-]2[Co+2]45[N]6=C1[C@H](C(C6=CC7=[N]4C(=C(C8=[N]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O	CBY	cob(ii)inamide
+c1ccc(cc1)COC=O	CBZ	carbobenzoxy group
+C[C@@H](c1ccc(c(c1)C(=O)N)OCC2CCCCC2)NC(=O)[C@H](Cc3ccc(c(c3)P(=O)(O)O)OCC(=O)O)NC(=O)C	CC0	(4-{2-acetylamino-2-[1-(3-carbamoyl-4-cyclohexylmethoxy-phenyl)-ethylcarbamoyl}-ethyl}-2-phosphono-phenoxy)-acetic acid
+CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCc3c2cc(c(c3)OCC4CCCCC4)C(=O)N	CC1	{4-[2-acetylamino-2-(3-carbamoyl-2-cyclohexylmethoxy-6,7,8,9-tetrahydro-5h-benzocyclohepten-5ylcarbamoyl)-ethyl]-2-phosphono-phenyl}-phosphonic acid
+Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4	CC2	4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2h-chromen-2-one
+c1cc(cc(c1)Nc2ccnc(n2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F	CC3	n-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide
+C=C(C[SeH])C(=O)O	CC4	2-(selanylmethyl)prop-2-enoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](CO3)O)O)N	CC5	beta-d-erythrofuranosyl-adenosine
+c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O	CC6	3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4h-1-benzopyran-4-one
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O[P@](=O)(O1)O	CC7	4-amino-1-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1h)-one
+C[C@H](CS)C(=O)O	CC8	(2s)-2-methyl-3-sulfanylpropanoic acid
+COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O	CC9	curcumin
+C[N@@H+]1[C@@H]2CC[C@H]1[C@@H]([C@@H](C2)OC(=O)c3ccccc3)C(=O)OC	CCA	2-benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-3-carboxylic acid methyl ester
+C1CCC(C1)N(C=O)C2CCC2	CCB	cyclobutyl(cyclopentyl)formamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)(O3)O	CCC	cytidine-5'-phosphate-2',3'-cyclic phosphate
+C[C@H](CCC[N+](C)(C)C)O	CCD	(4r)-4-hydroxy-n,n,n-trimethylpentan-1-aminium
+C[N+](C)(C)CCOC(=O)N	CCE	2-[(aminocarbonyl)oxy]-n,n,n-trimethylethanaminium
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=O)C)CCC(=O)O)C	CCH	[7-ethenyl-12-formyl-3,8,13,17-tertramethyl-21h,23h-porphine-2,18-dipropanoato(2)-n21,n22,n23,n24]iron
+CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC)C)NO[C@H]3C[C@@H]([C@@H]([C@H](O3)C)SC(=O)c4c(c(c(c(c4OC)OC)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)OC)O)I)C)O)O	CCI	calicheamicin gamma-1-oligosaccharide
+CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O	CCK	[1-(6-{6-[(1-methylethyl)amino]-1h-indazol-1-yl}pyrazin-2-yl)-1h-pyrrol-3-yl]acetic acid
+C1CCC(C1)OC(=O)NCCCC[C@H](C(=O)O)N	CCL	n~6~-[(cyclopentyloxy)carbonyl]-d-lysine
+CC1(CCCC1)C(=O)O	CCM	1-methyl-1-carboxy-cyclopentane
+CC#N	CCN	acetonitrile
+c1cc(cc(c1)Cl)c2nc(on2)SCC(=O)O	CCO	carboxymethylthio-3-(3-chlorophenyl)-1,2,4-oxadiazol
+CCCCP(=O)(O)O	CCP	butylphosphonate
+CC(C)(CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](C[N+](C)(C)C)O)O	CCQ	l-carnitinyl-coa inner salt
+Cc1cc(c(c(c1S(=O)(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccc(cc2)C(=N)N)C(=O)N3CCCCC3)C)C)OC	CCR	[n-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine
+C([C@@H](C(=O)O)N)SCC(=O)O	CCS	carboxymethylated cysteine
+Cc1ccccc1S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)C#N	CCT	5-(4-cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid
+C(=C/C(=O)O)/C=C\C(=O)O	CCU	(2z,4z)-hexa-2,4-dienedioic acid
+CC1=C(NC(=O)NC1=O)CC(CO)CO	CCV	6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-2,4(1h,3h)-pyrimidinedione
+CS(=O)(=O)C/C(=N\CCC[C@@H](C(=O)O)N)/N	CCW	(s)-2-amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid
+c1cc2c(c[nH]c2c(c1)C(=O)NC3CCN(CC3)CCCCc4c[nH]c5c4cc(cc5)C#N)C#N	CCX	3-cyano-n-{1-[4-(5-cyano-1h-indol-3-yl)butyl]piperidin-4-yl}-1h-indole-7-carboxamide
+c1cc(ccc1CC2C(=O)N(C(N2)[C@H](CS)N)CC(=O)O)O	CCY	2-(1-amino-2-mercapto-ethyl)-5-(4-hydroxy-benzyl)-3-(ethanoyl)-3,5-dihydro-imidazol-4-one
+[H]/N=C(/c1ccc(cc1)C[P@@](=O)(O)Oc2ccccc2)\N	CCZ	phenyl (4-carbamimidoylbenzyl)phosphonate
+[Cd+2]	CD	cadmium ion
+CCCCCc1cc(c(c(c1)O)[C@@H]2C[C@H](CC[C@H]2C(=C)C)C)O	CD0	2-[(1r,2r,5s)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol
+[OH2][Cd+2]	CD1	cadmium ion, 1 water coordinated
+c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc(n(n4)CCN)C(=O)O	CD2	1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1h-pyrazole-5-carboxylic acid
+[OH2][Cd+2]([OH2])[OH2]	CD3	cadmium ion, 3 waters coordinated
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC(CO[P@@](=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCC	CD4	(2r,5r,11r,14r)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate
+[OH2][Cd+2]([OH2])([OH2])([OH2])[OH2]	CD5	cadmium ion, 5 waters coordinated
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2ccccc2	CD6	(2r)-5-methylidene-2-{(1r)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+[H]/N=C\1/CC[C@H](N(C1)C=O)C(=O)NNC(=O)[C@@H]2CCN(C2)OS(=O)(=O)O	CD7	(2s,5z)-1-formyl-5-imino-n'-[(3r)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide
+CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)c2ccccc2	CD8	(2r)-2-[(1s)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1cc2c(cc1Cl)N(C(=O)C2)Cc3ccc4c(c3C(=O)O)OCO4	CD9	5-[(6-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
+CC1=CN=C(C(=O)N1CC(=O)NCc2c(cccn2)F)NCC(c3ccccn3)(F)F	CDA	2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-6-pyridinyl)methyl]acetamide
+Cc1ccnc(c1F)CNC(=O)CN2C(=C[NH+]=C(C2=O)NCC(c3cccc[nH+]3)(F)F)C	CDB	2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-3-methyl-6-pyridinyl)methyl]acetamide
+C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O	CDC	[2-cytidylate-o'-phosphonyloxyl]-ethyl-trimethyl-ammonium
+c1ccc(c(c1)CNC(=O)CN2C(=CN=C(C2=O)NCC(c3cccc[n+]3[O-])(F)F)Cl)F	CDD	2-(6-chloro-3-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluorophenyl)methyl]acetamide
+CC(C)[C@@H](C)N	CDE	1,2-dimethyl-propylamine
+C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O	CDF	4-amino-1-{5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-alpha-d-arabinofuranosyl}pyrimidin-2(1h)-one
+C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O	CDG	methyl 4,6-o-[(1r)-1-carboxyethylidene]-beta-d-galactopyranoside
+CC(=C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	CDH	d-(l-a-aminoadipoyl)-l-cysteinyl-d-isodehydrovaline
+C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO	CDI	2c-methyl-d-erythritol 2,4-cyclodiphosphate
+c1cc2c(c(c1)N)C=C(NC2=O)c3ccc(cc3)Cl	CDJ	5-amino-3-(4-chlorophenyl)isoquinolin-1(2h)-one
+CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC	CDK	4-[4-(3,4-dimethyl-2-oxo-2,3-dihydro-thiazol-5-yl)-pyrimidin-2-ylamino]-n-(2-methoxy-ethyl)-benzenesulfonamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC	CDL	cardiolipin
+C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O	CDM	4-diphosphocytidyl-2-c-methyl-d-erythritol
+CCCCCCCCCCCCCCC(O)O[C@H](COC(CCCCC)O)CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(CCCCCCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCC)O)O	CDN	cardiolipin
+[H]/N=C(/c1ccc(cn1)CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N	CDO	2-((r)-1-((s)-2-(n-(6-carbamimidoylpyridin-3-yl)methylcarbamoyl)-2h-pyrrol-1(5h)-yl)-3-cyclohexyl-1-oxopropan-2-ylamino)acetic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O	CDP	cytidine-5'-diphosphate
+c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4	CDQ	6-[(5-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+C[C@@H]1[C@H](CC[C@@H](O1)O)O	CDR	(2r,5s,6r)-6-methyltetrahydro-2h-pyran-2,5-diol
+Cc1c(scn1)\C=C/C2=C(N[C@H](SC2)[C@@H](C=O)NC(=O)/C(=N\OC)/c3csc(n3)N)C(=O)O	CDS	(2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-[(z)-2-(4-methyl-1,3-thiazol-5-yl)vinyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CSCC[C@H](C(=O)O)NC(=O)N	CDT	4-methylsulfanyl-2-ureido-butyric acid
+CCCCCCCCCCNC(=O)NC1CCCCC1	CDU	n-cyclohexyl-n'-decylurea
+CC(C)[C@H](C(=O)O)NC(=O)N	CDV	3-methyl-2-ureido-butyric acid
+C1[C@@H]([C@H](O[C@H]1N2[C@@H]3C=CN3C2=O)COP(=O)(O)O)O	CDW	(4r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1,3-diazabicyclo[2.2.0]hex-5-en-2-one
+C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	CDX	(s)-4,4'-(1-methyl-1,2-ethanediyl)bis-2,6-piperazinedione
+c1nc2c(nc(nc2n1[C@H]3CC[C@H](O3)CO)Cl)N	CDY	2-chlorodideoxyadenosine
+CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O	CDZ	3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
+[Ce+3]	CE	cerium (iii) ion
+CC1=C(N[C@H](SC1)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)C(C2CSC(=N2)N)NOC)C(=O)O	CE0	(2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-1-{[(2r)-2-[(4s)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]-2-(methoxyamino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO	CE1	o-dodecanyl octaethylene glycol
+CC(C)(C)c1c(c(no1)[O-])C[C@@H](C(=O)[O-])[NH3+]	CE2	3-(5-tert-butyl-3-oxidoisoxazol-4-yl)-l-alaninate
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c3csc(n3)N)SC1)C(=O)O	CE3	(6r,7r)-3-(acetyloxymethyl)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O	CE4	(2r)-2-[(r)-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2h-1,3-thiazine-4-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O)CO)CO)CO)CO)O)O)O)O	CE5	cellopentaose
+C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O)CO)CO)CO)CO)CO)O)O)O)O	CE6	cellohexaose
+C([C@@H](C(O)(O)O)N)C(=O)N	CE7	(3s)-3-amino-4,4,4-trihydroxybutanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H]([C@@H]([C@H]8O)O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O)O	CE8	cellooctaose
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	CE9	dodecyl nona ethylene glycol ether
+C([C@@H](C(=O)O)N)SO	CEA	s-hydroxy-cysteine
+CC[C@@](C)(C#N)Nc1nc(nc(n1)Cl)NCC	CEB	2-chloro-4-ethylamino-6-(s(-)-2'-cyano-4-butylamino)-1,3,5-triazine
+C(CCl)NC=O	CEC	chloroethylcarbamoyl group
+CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O	CED	5-methyl-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+c1ccc(cc1)CCCl	CEE	(2-chloroethyl)benzene
+CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O	CEF	cefotaxime, c3' cleaved, open, bound form 
+C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O	CEG	4,6-o-[(1s)-1-carboxyethylidene]-beta-d-glucopyranose
+C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)C	CEH	5-{3-(s)-(4-(r)-acetylamino-4-carboxy-butyrylamino)-3-[1-(r)-(1-(r)-carboxy-ethylcarbamoyl)-ethylcarbamoyl]-propyl}-2-( carboxy-phenylacetylamino-methyl)-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O	CEI	n-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
+C1CC(=O)CC1=O	CEJ	cyclopentane-1,3-dione
+CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O	CEK	(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-n-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide 
+Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	CEL	4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide
+C(C=O)C([C@H](C(=O)O)N\C=C/C=O)O	CEM	n-(1-carboxy-2-hydroxy-4-oxo-butyl)-n-(3-oxo-cispropenyl)amine
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O	CEN	7beta-(4carboxybutanamido) cephalosporanic acid
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2	CEO	5-methylene-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+COC(=O)CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O	CEP	cephalothin group
+CC[Si](C)(C)C	CEQ	ethyl-trimethyl-silane
+C\C=C\C\C=C\CCC(=O)[C@H](CC(=O)N)O	CER	(2s, 3r)-3-hydroxy-4-oxo-7,10-trans,trans-dodecadienamide
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c2ccco2)C(=O)O	CES	2-[carboxy-(2-furan-2-yl-2-methoxyimino-acetylamino)-methyl]-5-methyl-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+CC[C@](C)(C#N)Nc1nc(nc(n1)Cl)NCC	CET	2-chloro-4-ethylamino-6-(r(+)-2'-cyano-4-butylamino)-1,3,5-triazine
+CNc1cc(nc(n1)N)N2CCN(CC2)C	CEU	n4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)N	CEV	ethyl (4r)-4-amino-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C(=NOC)C2=CSC(N2)N)C(=O)O	CEW	(2r)-2-[(1r)-1-({[(2r)-2-amino-2,3-dihydro-1,3-thiazol-4-yl](methoxyimino)acetyl}amino)-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O)CO)CO)CO)CO)O)O)O)O	CEX	alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)  -alpha-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O	CEY	alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)  -alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O	CEZ	4-o-beta-d-glucopyranosyl-d-gluconic acid
+[Cf+3]	CF	californium ion
+CF	CF0	fluoromethane
+COc1ccc(c(c1)C(=O)O)Nc2cc(ccc2Cl)C(F)(F)F	CF1	2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-5-methoxybenzoic acid
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCNC(=O)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5N=C(NC6=O)N)O	CF2	2'-deoxy-5'-o-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)ethyl]carbamoyl}guanosine
+c1ccc(cc1)NC(=O)CCCCCCC(=O)C(F)(F)F	CF3	9,9,9-trifluoro-8-oxo-n-phenylnonanamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCNC(=O)O	CF4	[4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)butyl]carbamic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC[C@H]2O	CF5	coformycin 5'-phosphate
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C	CF6	n,n'-(decane-1,10-diyl)bis{2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
+CC(C)N1c2ccc(cc2C(=O)N(C1=O)CC3CC3)NC(=O)N4CCO[C@H](C4)C(=O)Nc5ccc(c(c5)Cl)C#N	CF7	(2r)-n~2~-(3-chloro-4-cyanophenyl)-n~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide
+c1ccc2cc(ccc2c1)Cc3ccccc3/C=C(/C(=O)O)\S	CF8	(~{z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid
+c1cc2c(ccc3c2c(c1)C(=O)O3)OC(=O)c4ccc(cc4)[N+](=O)[O-]	CF9	2-oxo-2h-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate
+c1cc(c(cc1Cl)Cl)OCC(=O)O	CFA	(2,4-dichlorophenoxy)acetic acid
+c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)Cl)N	CFB	2-chloro-9-(2-deoxy-2-fluoro-b -d-arabinofuranosyl)-9h-purin-6-amine
+CN(C)C(=O)C12[C@@H]3[Fe]1456789([C@@H]3[C@H]4[C@H]52)[C@H]1[C@@H]6[C@@H]7C8([C@@H]91)C(=O)O	CFC	1-carboxy-1'-[(dimethylamino)-carbonyl]ferrocene
+C[C@H](\C=C(/C)\[C@@H](C)N)C=O	CFD	(2r,3e,5r)-5-amino-2,4-dimethylhex-3-enal
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC[C@H]2O	CFE	(8r)-3-beta-d-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
+Cn1cnc2c1C(=O)N(C(=O)N2C)C	CFF	caffeine
+CN([C@H](c1ccc(cc1)OC)C(=O)Nc2ccc(cc2)[Si](C)(C)C)C(=O)C3=CC(=O)NO3	CFG	n-[(1r)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-n-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide
+C(C(F)(F)F)(C(F)(F)F)O	CFH	1,1,1,3,3,3-hexafluoropropan-2-ol
+c1ccc(cc1)N(N=O)O	CFI	1-hydroxy-2-oxo-1-phenylhydrazine
+CCN1c2ccc(cc2C(=O)N(C1=O)CC)NC(=O)C[C@H](C)CC(=O)Nc3ccc(c(c3)Cl)C#N	CFJ	(3s)-n~1~-(3-chloro-4-cyanophenyl)-n~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide
+c1ccc(cc1)c2cc(c(s2)C(=O)N)NC(=O)N	CFK	3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	CFL	4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)pyrimidin-2(1h)-one
+S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48	CFM	fe-mo-s cluster
+N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12	CFN	fe(7)-mo-s(9)-n cluster
+O([Fe])[Fe]Cl	CFO	chloro diiron-oxo moiety
+c1[nH]c2c(n1)c(nc(n2)F)Cl	CFP	6-chloro-2-fluoropurine
+C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F	CFQ	1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine
+C1CCC(CC1)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N	CFS	4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-pentanoic acid
+C(F)(F)F	CFT	trifluoromethane
+CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C)C(=O)O	CFU	(2r)-2-[(1r)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C1=CN(C(=O)N=C1N)C[C@H](CO)OCP(=O)(O)O	CFV	[(2r)-1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid
+CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)Cc3cccs3	CFX	cefoxitin
+c1ccc(cc1)C[C@@H]([C@@]2(N=C(CS2)C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O)O)N	CFY	[(4z)-2-{(2r)-2-[(1s)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	CFZ	2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)
+c1cc2c(c(c1)C(=N)N)CCC2=NNC(=N)N	CG	4-amidinoindan-1-one-2'-amidinohydrazone
+CCc1c(nc(nc1N2CCN(CC2)C)N)NC3CC3	CG0	n4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
+CO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O	CG1	5'-o-[(r)-hydroxy(methoxy)phosphoryl]guanosine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=NC5=O)N)CO)O)O)O)N=C(NC2=O)N	CG2	cytidyl-2'-5'-phospho-guanosine
+c1ccc(c(c1)[N+](=O)O)O	CG3	hydroxy(2-hydroxyphenyl)oxoammonium
+COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(=O)O	CG4	4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid
+CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@@H]6[C@H]([C@H](CN6C5)O)O)c7ccc(cc7)OC	CG5	(9~{r},10~{r},11~{s})-~{n}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide
+C[C@H]([C@@H](C(=O)O)N)S	CG6	beta-methyl-cysteine
+Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl	CG7	5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1h-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid
+CN1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	CG8	(2~{s})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid
+c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6	CG9	6-(1h-indazol-6-yl)-n-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
+C(CC(=O)OCC(=O)O)C(C(=O)O)N	CGA	carboxymethylated glutamic acid
+C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O	CGB	calystegine b2
+c1ccc2c(c1)nc(s2)O	CGD	1,3-benzothiazol-2-ol
+COC(=O)[C@H](c1ccccc1Cl)N2CCc3c(ccs3)C2	CGE	clopidogrel
+C([C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(C(N)O)N=[N+]=[N-])O)O)O)O	CGF	c-(1-azido-alpha-d-glucopyranosyl) formamide
+c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@@H]([C@@H]2O)O)(C(=O)O)O)O)O	CGG	chlorogenic acid
+C1CCCC(CC1)NCC(=O)O	CGH	n-cycloheptylglycine
+Cc1nnc2n1-c3ccccc3COC2	CGJ	1-methyl-4h,6h-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@H](O4)S[C@](O5)(CCC(=O)O)O)O)O)O)N	CGK	3-[(2r,3ar,5r,6r,6ar)-5-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid
+C(CC(=O)NC(CSSCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N	CGL	cystine-glutathione
+CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\C)C	CGM	(4r,5s,6s,7r,9r,11e,13e,15s,16r)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-d-glucopyranoside
+C1CC(=O)N[C@@H]1C=O	CGN	5-oxo-pyrrolidine-2-carbaldehyde
+c1cc2c(cc(c(c2cc1)N)/N=N/c3ccc(cc3)c4ccc(cc4)/N=N/c5c(c6c(c(c5)S(=O)(=O)[O-][Na+])cccc6)N)S(=O)(=O)[O-][Na+]	CGO	sodium 3,3'-(1e,1'e)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N	CGP	2'-deoxycytidine-2'-deoxyguanosine-3',5'-monophosphate
+c1cc(cc(c1)C(=[NH2+])N)\C=N\N/C(=[NH+]/N=C/c2cccc(c2)C(=[NH2+])N)/N	CGQ	3-[c-[n'-(3-carbamimidoyl-benzylidenium)-hydrazino]-[[aminomethylidene]aminium]-iminomethyl]-benzamidinium
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3CN([C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(O1)O)O)O)O)C5=C3C(=O)NC(=N5)N)O)O	CGR	cyclic guanosine diphosphate-ribose
+CC(C)[C@H](C(=O)NO)[N@@](Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC	CGS	n-hydroxy-2(r)-[[(4-methoxyphenyl)sulfonyl](3-picolyl)amino]-3-methylbutanamide hydrochloride
+c1ccc(cc1)C/C(=N/OS(=O)(=O)O)/S[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	CGT	carba-glucotropaeolin
+C(C(C(=O)O)C(=O)O)[C@@H](C(=O)O)N	CGU	gamma-carboxy-glutamic acid
+C([C@@H](C(=O)O)N)S[C@H](C(=O)O)O	CGV	s-[(r)-carboxy(hydroxy)methyl]-l-cysteine
+C1C2=C(CS1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	CGW	(2~{s})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid
+CCc1c(nc(nc1N2CCCCC2)N)NC3CC3	CGX	n4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
+c1c(c(nc(c1N(O)O)N)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	CGY	(1r)-1,4-anhydro-2-deoxy-1-[2,6-diamino-5-(dihydroxyamino)pyridin-3-yl]-5-o-phosphono-d-erythro-pentitol
+C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	CH	n3-protonated cytidine-5'-monophosphate
+CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)C)OCCO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)OCCO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C	CH0	2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	CH1	3'-deoxy-cytidine-5'-triphosphate
+[CH2]	CH2	methylene group
+C	CH3	methyl group
+C(CNCC(CNCCN)C=O)N	CH4	3-[(2-aminoethyl)amino]-2-{[(2-aminoethyl)amino]methyl}propanal
+C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O	CH5	2-(((r)-2,3-dihydroxypropyl)phosphoryloxy)-n,n,n-trimethylethanaminium
+CSCC[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N	CH6	{(4z)-2-[(1s)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)C3=NCCCC3)CC(=O)O)O	CH7	[(4z)-4-(4-hydroxybenzylidene)-5-oxo-2-(3,4,5,6-tetrahydropyridin-2-yl)-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1ccc(cc1)Oc2ccc(cc2O)Cl	CH8	5-chloro-2-phenoxyphenol
+c1ccc(cc1)c2ccccc2O	CH9	2-hydroxybiphenyl
+C1CCC(CC1)C[C@@H](CO)N	CHA	1-hydroxy-2-amino-3-cyclohexylpropane
+c1cc(c(cc1C(=O)O)Cl)O	CHB	3-chloro-4-hydroxybenzoic acid
+CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O	CHC	6-ethyl-chenodeoxycholic acid
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	CHD	cholic acid
+C1CCC(CC1)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N	CHF	cyclohexylfluorostatone
+C1CCC(CC1)[C@@H](C(=O)O)N	CHG	cyclohexyl-glycine
+CC(=O)CCC[N+](C)(C)C	CHH	n,n,n-trimethyl-4-oxopentan-1-aminium
+c1cc(ccc1C[C@@H](C(=O)N2CCC(CC2)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl)F	CHI	5-chloro-1h-indole-2-carboxylic acid [1-(4-fluorobenzyl)-2-(4-hydroxypiperidin-1yl)-2-oxoethyl]amide
+CC1=CC(=O)Oc2c1ccc(c2)Oc3ccc(cc3O)Cl	CHJ	7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2h-chromen-2-one
+C1CCC(CC1)CC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O	CHK	6-[(cyclohexylacetyl)(2-hydroxyethyl)amino]-6-deoxy-d-xylo-hexitol
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O	CHL	chlorophyll b
+C(C(=O)CCl)Cl	CHM	1,3-dichloro-propan-2-one
+C1CC(CCC1CN)N	CHN	4-aminomethyl-cyclohexylamine
+C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	CHO	glycochenodeoxycholic acid
+c1cc(c(cc1[C@@H](C(=O)O)N)Cl)O	CHP	3-chloro-4-hydroxyphenylglycine
+c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2	CHQ	cyclo-(l-histidine-l-proline) inhibitor
+Cc1cc(cc2c1ccc(c2C(=O)O[C@@H]3C=C\4C#C[C@]5([C@H](O5)C#C\C=C4\[C@H]3O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)O)O)NC)[C@H]7COC(=O)O7)O)OC	CHR	neocarzinostatin-chromophore
+C1CCC(CC1)C[C@@H]([C@H](CC(=O)O)O)N	CHS	4-amino-5-cyclohexyl-3-hydroxy-pentanoic acid
+C[N+](C)(C)CCO	CHT	choline ion
+CC1=C(C(=O)Oc2c1ccc(c2)Oc3ncccn3)Cc4ccnc(c4F)NS(=O)(=O)NC	CHU	n-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2h-chromen-3-yl]methyl}pyridin-2-yl)-n'-methylsulfuric diamide
+c1cc2c(cc1O)OC(=O)C(=C2)Oc3ccc(cc3O)Cl	CHV	3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2h-chromen-2-one
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/[C@H](C)O)O)C=O	CHW	3-chloro-4,6-dihydroxy-5-[(2e,6e,8s)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde
+C1CCCCC1	CHX	cyclohexane
+c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O	CHZ	1,8-dihydroxyanthracene-9,10-dione
+c1ccc(cc1)CS(=O)(=O)N2CCC[C@@](C2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O	CI1	(2z)-4-[(3s)-1-(benzylsulfonyl)-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C	CI2	(5beta)-pregnane-3,20-dione
+c1ccc(cc1)CN2CCC[C@@](C2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O	CI3	(2z)-4-[(3s)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid
+c1cc(c(c(c1)Cl)F)CN2Cc3ccc(c(c3C2=O)O)O	CI4	2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1h-isoindol-1-one
+c1cc(c(cc1N(O)O)N(O)O)NCCOCCOCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	CI9	n-({(1s)-5-[4-(13-{[2,4-bis(dihydroxyamino)phenyl]amino}-2,5,8,11-tetraoxatridec-1-yl)-1h-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-l-glutamic acid
+CN1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6	CIA	6-benzo[1,3]dioxol-5-yl-2-methyl-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
+CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C	CIB	2-acetylamino-4-methyl-pentanoic acid [1-(1-formyl-pentylcarbamoyl)-3-methyl-butyl]-amide
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC[C@@](CC(=O)O)(C(=O)O)O)O	CIC	citryl-thioether-coenzyme *a
+c1cc(ccc1c2c(n3ccsc3n2)\C=N\OCc4ccc(c(c4)Cl)Cl)Cl	CID	6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde o-(3,4-dichlorobenzyl)oxime
+CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)Cl)OC	CIE	2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester
+c1c(nc(cn1)Cl)N	CIG	2-amino-6-chloropyrazine
+C/C(=C(\C#N)/C(=O)Nc1ccc(c(c1)Cl)c2ccccc2Cl)/O	CIH	(2z)-2-cyano-n-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide
+CC(C)[C@@H](C(=O)Nc1ccncc1)NC(=O)C2CCCCC2	CII	n-[(1s)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
+c1cc(c(cc1CN2C(=O)c3ccc(c(c3C2=O)O)O)Cl)F	CIJ	2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1h-isoindole-1,3(2h)-dione
+CC1(C[C@@H]1C(=O)N/C(=C\CCCCSCC(C(=O)O)N)/C(=O)O)C	CIL	cilastatin
+c1cc(ccc1\C=C\C(=O)O)C(=O)O	CIN	4-carboxycinnamic acid
+COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N	CIO	cilomilast
+C1[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O[P@]1(=O)O)O)O)O)O	CIP	inositol-2-methylene-1,2-cyclic-monophosphate
+CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC	CIQ	2-cyclohexyl-6-methoxy-n-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
+C(C[C@@H](C(=O)O)N)CNC(=O)N	CIR	citrulline
+CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)O	CIS	(15z)-n-((1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-enyl)tetracos-15-enamide
+C(C(=O)O)C(CC(=O)O)(C(=O)O)O	CIT	citric acid
+c1cc(ccc1NC(=O)NC2CCCCC2)I	CIU	n-cyclohexyl-n'-(4-iodophenyl)urea
+c1cc(ccc1CC2=NC(=[N+](C2=O)CC(=O)N)[C@H](CCCCN)N)O	CIV	2-[2-[(1~{s})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide
+c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4	CIW	5-[(5-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
+B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)(O)O	CIX	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(1r)-1-(dihydroxyboranyl)-3-methylbutyl]-l-leucinamide
+COc1cc(ccc1O)/C=C/C=O	CIY	(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
+C/C(=C/C(=O)O)/C(=O)O	CIZ	(~{z})-2-methylbut-2-enedioic acid
+CNc1cc(nc(n1)N)N2CCOCC2	CJ0	n4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
+c1cn(c2c1c(nc(n2)O)O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	CJ1	7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diol
+COc1ccc(cc1)Cn2c(c(nn2)O)C(=O)Nc3cccc(c3)C(F)(F)F	CJ2	3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{n}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide
+B1(c2ccccc2C=NN1C(=S)N)O	CJ3	1-hydroxy-2,3,1-benzodiazaborinine-2(1h)-carbothioamide
+CNCCCN(C)c1ncc(c(n1)N2CC(C2)C(=O)NCc3cnc4n3cccc4)F	CJ4	1-(5-fluoro-2-{methyl[3-(methylamino)propyl]amino}pyrimidin-4-yl)-n-[(imidazo[1,2-a]pyridin-3-yl)methyl]azetidine-3-carboxamide
+c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Nc3nccc(n3)Nc4cc([nH]n4)C5CCCC5)C(F)(F)F	CJ5	1-[4-[[4-[(5-cyclopentyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
+CN1CCN(CC1)c2cc(nc(n2)N)NC3CC3	CJ6	n4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
+Cn1c2ccc(cc2c3c1nc(nn3)SCCN4CCCCC4)F	CJ7	8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5h-[1,2,4]triazino[5,6-b]indole
+CCCNC(=O)[C@@H]([C@H](C(=O)NCCC)O)O	CJ8	(2~{r},3~{r})-2,3-bis(oxidanyl)-~{n},~{n}'-dipropyl-butanediamide
+c1c(nc(nc1N2CCCCC2)N)NC3CC3	CJ9	n4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
+CC(C)(C)C(=O)CSc1ncc2c(n1)-c3c(csc3SC)CC2	CJA	3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	CJB	1-beta-d-glucopyranosylpyrimidine-2,4(1h,3h)-dione
+CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nc4)N=CC(=O)N5)Cl	CJC	7-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1h)-one
+CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OC	CJD	5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(r)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2h)-one
+CCOC(=O)[C@H](C)C(=O)C	CJE	ethyl (2~{r})-2-methyl-3-oxidanylidene-butanoate
+c1c(nc(nc1N2CCOCC2)N)NC3CC3	CJF	n4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
+Cc1c(c(on1)C)c2cc(c3c(c2Cl)C(=O)N(CC3)CC4=C(C=C(NC4=O)C)C)Cl	CJG	5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2h)-one
+CCOc1cccc(c1)c2ccc(cc2)NC(=O)/C(=C(/C)\O)/C#N	CJH	(2z)-2-cyano-n-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide
+c1cc(sc1c2ncc(c(n2)Nc3cc([nH]n3)C4CC4)Cl)S(=O)(=O)N	CJJ	5-{5-chloro-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide
+Cc1ccc(cc1)CNC(=O)Nc2cc(ccc2O)S(=O)(=O)N	CJK	1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
+c1c(nc(nc1N2CCN(CC2)C3COC3)N)NC4CC4	CJL	n4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
+CCn1cnc2c1nc(nc2NCc3[nH]c4ccc(c(c4n3)F)F)N5CCCC[C@H]5CCO	CJM	2-[(2s)-1-(6-{[(4,5-difluoro-1h-benzimidazol-2-yl)methyl]amino}-9-ethyl-9h-purin-2-yl)piperidin-2-yl]ethan-1-ol
+CC(C)n1ccc2c1c(ncn2)NC3CCC(CC3)N(C)C	CJN	~{n}4,~{n}4-dimethyl-~{n}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
+C[C@H]([C@@H](C1N[C@@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)N)O	CJO	[(2r,4r)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
+CS(=O)(=O)n1c2ccccc2c(c1c3ccc(cc3Cl)Cl)CN	CJP	1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1h-indol-3-yl]methanamine
+c1nc(c2c3c(sc2n1)CC[C@@H]3CC(=O)N)OC4CCC(CC4)N5CCOCC5	CJQ	2-[(3~{r})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide
+CNc1cc(nc(n1)N)N2CCN(CC2)C3COC3	CJR	n4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
+CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCC(CC4)C(=O)N	CJT	4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide
+CNc1cc(nc(n1)N)N2CCCCC2	CJU	n4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
+CN(C)CCCC(=O)N1CC(C1)S(=O)(=O)c2ccc(cc2)N3CC(C3)CN4CCC(CC4)[C@@](C#N)(c5cccc(c5)F)[C@H]6CCC[C@@H]6NC(=O)OC	CJV	methyl {(1s,2r)-2-[(s)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate
+c1cc(cc2c1cc(cc2)C(=O)O)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	CJW	6-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{h}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N	CJX	(2r,3s,4s,5r,6r)-2-(aminomethyl)-6-[(1r,2s,3s,4r,6s)-4,6-bis(azanyl)-3-[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol
+c1ccc2c(c1)cccc2OCCCc3c4ccccc4[nH]c3C(=O)O	CJY	3-{3-[(naphthalen-1-yl)oxy]propyl}-1h-indole-2-carboxylic acid
+c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl	CJZ	2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N	CK0	(2s,3r,4s,5s,6r)-2-[(1s,2s,3r,4s,6r)-3-[(2r,3r,4r,5s,6r)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
+c1cnc(nc1c2cc(sc2Cl)Cl)N	CK1	4-(2,5-dichlorothien-3-yl)pyrimidin-2-amine
+Cc1c(sc(n1)C)c2ccnc(n2)N	CK2	4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
+Cc1c(sc(n1)C)c2ccnc(n2)N\C=N/O	CK3	n-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n'-hydroxyimidoformamide
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)C(F)(F)F	CK4	4-(2,4-dimethyl-1,3-thiazol-5-yl)-n-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)O	CK5	3-[4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol
+Cc1c(sc(n1)NC)c2ccnc(n2)Nc3ccc(cc3)O	CK6	4-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol
+Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-]	CK7	[4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C	CK8	n-[4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-n',n'-dimethyl-benzene-1,4-diamine
+CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3O	CK9	2-{[(2-{[(1r)-1-(hydroxymethyl)propyl]amino}-9-isopropyl-9h-purin-6-yl)amino]methyl}phenol
+c1cc2c(cc1Cl)NC(=CC2=O)C(=O)O	CKA	7-chlorokynurenic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	CKB	1-beta-d-glucopyranosyl-5-methylpyrimidine-2,4(1h,3h)-dione
+CC(=O)[C@H](CCCCN)N	CKC	(3s)-3,7-diaminoheptan-2-one
+c1ccc(cc1)S(=O)(=O)N2CCNC[C@@H]2CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F	CKD	(s)-n-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
+CN1CCN(CC1)c2ccc(cc2)Cc3cc4cnc(nc4n3C5CCCCC5)CN	CKE	1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7h-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine
+c1c2c(nc(n1)N=C3C=CCC=C3)-c4c(c(nn4CC5CCNCC5)C(=O)N)CC2	CKG	8-(cyclohexa-2,5-dien-1-ylideneamino)-1-(piperidin-4-ylmethyl)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+Cc1c(c2ccccc2[nH]1)CCNC(=O)c3ccccc3F	CKH	2-fluoro-n-[2-(2-methyl-1h-indol-3-yl)ethyl]benzamide
+c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl	CKI	n-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
+CCCCNc1ncc2c(nn(c2n1)CC3CCC(CC3)N)c4ccc(cc4)F	CKJ	1-[(trans-4-aminocyclohexyl)methyl]-n-butyl-3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-6-amine
+c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3c4c(ccn4ncn3)CN5CCC(CC5)N)F	CKK	n-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide
+COc1c(ncnc1OC)NS(=O)(=O)c2ccc(cc2)NCC3=NC4=C(NC3)N=C(NC4=O)N	CKL	4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{h}-pteridin-6-yl)methylamino]-~{n}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
+C[C@@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F	CKM	n-(3-fluoro-2-{2-[(2s,6r)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
+C[C@H](CC(=O)N)c1ccn2c1c(ncn2)NC3CCC(CC3)N4CCN(CC4)C(=O)C	CKN	(3~{r})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide
+CN(C)C/C=C/C(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	CKO	e-4-(dimethylamino)-n-[3-[4-[[(1s)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide
+C([C@@H]1[C@H]([C@H]([C@@](O1)(C(=O)O)O)O)O)OP(=O)(O)O	CKP	6-o-phosphono-beta-d-psicofuranosonic acid
+c1cc(ccc1c2ccc(cc2)C(=O)O)c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	CKQ	4-[4-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{h}-1,2,4-triazol-3-yl]phenyl]benzoic acid
+c1c2c(cc3c1nc([nH]3)NCCN4CCOCC4)N=C(NC2=O)N	CKR	6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5	CKS	n-(3-fluoro-2-{2-[(2s,5r)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CS)/C(=O)O)O	CKT	cys-ketimine
+CCCN1C[C@@H]([C@H]([C@@H](C1)O)O)C(=O)O	CKU	(3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid
+C[C@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5	CKV	n-(3-fluoro-2-{2-[(2s,5s)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
+c1ccc(cc1)c2ccc(cc2)c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	CKW	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
+CCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O	CKX	(2~{s},3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid
+C[C@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F	CKY	n-(3-fluoro-2-{2-[(2s,6s)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
+c1ccc-2c(c1)Cc3c2ccc(c3)c4[nH]c(nn4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	CKZ	(2~{s},3~{r},4~{r},5~{s},6~{r})-2-[5-(9~{h}-fluoren-2-yl)-4~{h}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
+[Cl-]	CL	chloride ion
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@@H](C(=O)c8c7C)C(=O)OC)C)C=C)C	CL0	chlorophyll a isomer
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C	CL1	alpha chlorophyll a
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C	CL2	beta chlorophyll a
+CC(=O)N(C)c1cccc(c1)c2nnc3n2nc(cc3)c4ccccc4	CL3	n-methyl-n-[3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide
+c1c(cc(c(c1C(=O)NC\C=C\[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O)[N+](=O)[O-]	CL4	n-{3-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-allyl}-2,3-dihydroxy-5-nitro-benzamide
+C(CNCC(=O)O)C=O	CL5	n-(3-oxopropyl)glycine
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4	CL6	1-[(2-chlorophenyl)(diphenyl)methyl]-1h-imidazole
+CCC1=C(C2=Cc3c(c(c4n3[Mg]56N2C1=Cc7n5c8c(c7C)C(=O)[C@@H](C8=C9N6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C(=O)OC)C)C=O)C	CL7	chlorophyll d
+c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	CL8	chloramphenicol succinate
+c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)Cl)N	CL9	2-chloro-2'-deoxyadenosine
+CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C	CLA	chlorophyll a
+[B-]([C@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N	CLB	d-para-chlorophenyl-1-acetamidoboronic acid alanine
+CC(=O)N[C@H](CO)[C@@H](c1ccc(cc1)[N+](=O)[O-])O	CLC	n-acetyl-p-nitrophenylserinol
+[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N	CLD	d-para-chlorophenyl-1-acteamidoboronic acid alanine
+CC(C)C[C@@H](C(=O)N)N	CLE	leucine amide
+[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71	CLF	fe(8)-s(7) cluster
+C(CCNC(=O)CNC(=O)CON)C[C@@H](C(=O)O)N	CLG	2-amino-6-[2-(2-aminooxy-acetylamino)-acetylamino]-hexanoic acid
+C(CCNC(=O)CNC(=O)C=O)C[C@@H](C(=O)O)N	CLH	2-amino-6-[2-(2-oxo-acetylamino)-acetylamino]-hexanoic acid
+c1c(cc(c2c1[nH]c(c2CCC(=O)O)C(=O)O)Cl)Cl	CLI	3-(2-carboxy-ethyl)-4,6-dichloro-1h-indole-2-carboxylic acid
+Cc1c(c(c(c(c1I)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)OC)O)OC)OC)C(=O)S[C@@H]3[C@H](O[C@H](C[C@@H]3O)ON[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@H]5C#C/C=C\C#C[C@@]\6(CC(=O)C(=C5/C6=C\CSSSC)NC(=O)OC)O)C)C	CLJ	calicheamicin alpha3i
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N	CLK	alpha-n-dichloroacetyl-p-aminophenylserinol
+CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C	CLL	cholesteryl linoleate
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	CLM	chloramphenicol
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)[C@]9(C(C7=C2)C=CS9)C)C)CCC(=O)O	CLN	sulfur substituted protoporphyrin ix
+[Cl-]	CLO	chloro group
+[S]12[Fe]3[S]4[Fe]1S5([Fe]2[S]3[Fe]45)S67[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71	CLP	fe-s cluster
+CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl	CLQ	n4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	CLR	cholesterol
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3cccs3)SC1)C(=O)O	CLS	cephalothin
+c1ccc(cc1)CCCC(=O)O	CLT	4-phenyl-butanoic acid
+c1cc(c(c(c1)Cl)N=C2NCCN2)Cl	CLU	2,6-dichloro-n-imidazolidin-2-ylideneaniline
+C[C@@H](C1N=CC(=O)N1CC(=O)O)N	CLV	{(2s)-2-[(1s)-1-aminoethyl]-5-oxo-2,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc2c(cc1Cl)NC(=O)O2	CLW	chlorzoxazone
+C(=O)C(Cl)(Cl)Cl	CLX	tri-chloro-acetaldehyde
+CCC[C@@H]1C[C@H]([N@@](C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl	CLY	clindamycin
+c1cc2c(c(c1N)Cl(=O)=O)c(nc(n2)N)N	CLZ	5-chloryl-2,4,6-quinazolinetriamine
+CC(=O)O	CM	carboxymethyl group
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)OCC(=O)O	CM0	5-(carboxymethoxy) uridine-5'-monophosphate
+C[C@H]1CC(N[C@H]2CCCCN(C2=O)O[Fe@@]34Oc5ccccc5C6=N[C@@H](CO6)C(=O)N[C@@H](CCCCN(O3)C(O4)\C=C/CCCCCCC(=O)O)C(=O)O1)O	CM1	carboxymycobactin s
+c1ccc2c(c1)C3N[C@@H](CO3)C(=O)N[C@H]4CCCCN5C(O[Fe@](O2)(O5)ON6CCCC[C@@H](C6=O)NC(=O)CCOC4=O)\C=C/CCCCCCC(=O)O	CM2	carboxymycobactin t
+C[C@@H]1c2c(ccc(c2F)O)O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCCC5	CM3	(2r,3r,4s)-5-fluoro-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]chroman-6-ol
+C[C@@H]1c2cc(ccc2O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O	CM4	(2r,3r,4s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chroman-6-ol
+C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	CM5	5-cyclohexyl-1-pentyl-beta-d-maltoside
+c1ccc(cc1)[C@@H](C(=O)Nc2ccncc2)NS(=O)(=O)c3cccc4c3nsn4	CM6	(2s)-2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-n-pyridin-4-ylacetamide
+CCc1cn2c3c1cc(cc3[N@@](S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)C(F)(F)F)O	CM7	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1h-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
+CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O	CM8	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
+CC1CCC(CC1)C(=O)N[C@@H](CCSC)C(=O)Nc2ccncc2	CM9	cis-4-methyl-n-[(1s)-3-(methylsulfanyl)-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
+C(C[C@@H](C(=O)O)NCCC(=O)O)CNC(=N)N	CMA	n2-(carboxyethyl)-l-arginine
+Cc1cccc2c1cc(n2Cc3cccc(c3)C(=N)N)C(=O)NCc4cc(cc(c4)Cl)Cl	CMB	1-(3-carbamimidoylbenzyl)-n-(3,5-dichlorobenzyl)-4-methyl-1h-indole-2-carboxamide
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)O)O	CMC	carboxymethyl coenzyme *a
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[N@]6CCOC[C@@H]6C#N)O	CMD	3'-desamino-3'-(3-cyano-4-morpholinyl)-doxorubicin
+C(CSSC[C@@H](C(=O)O)N)O	CME	s,s-(2-hydroxyethyl)thiocysteine
+c1ccc(cc1)c2c(c3ccc(cc3n2CC(=O)N4CCOCC4)C(=O)O)C5CCCCC5	CMF	3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-1h-indole-6-carboxylic acid
+c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3	CMG	6-o-cyclohexylmethyl guanine
+C[Hg]SC[C@@H](C(=O)O)N	CMH	s-(methylmercury)-l-cysteine
+[H]/N=C(\c1cccc(c1)Cn2c3cccc(c3cc2C(=O)NCc4cc(cc(c4)C)C)C)/N	CMI	1-(3-carbamimidoyl-benzyl)-4-methyl-1h-indole-2-carboxylic acid 3,5-dimethyl-benzylamide
+CCCCCCCCCCCCCCCCCCCCCC[C@@H](C)CCCCCCCCCCCCCCCCCCC	CMJ	(20s)-20-methyldotetracontane
+C1[C@H]([C@H]([C@H](O[C@@]1(C(=O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)[C@@H](CO)O)O)O	CMK	cytidine 5'-monophosphate 3-deoxy-beta-d-gulo-oct-2-ulo-pyranosonic acid
+C([C@@H](C(=O)O)SC[C@@H](C(=O)O)N)C(=O)O	CML	(2s)-2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid
+[H]/N=C(/N)\N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)CCc3cccc4c3[nH]cc4C(=O)C(=O)O)C(=O)OC	CMM	2-[2-(1-carbamimidoyl-piperidin-3-yl)-acetylamino]-3-{4-[2-(3-oxalyl-1h-indol-7-yl)ethyl]-phenyl}-propionic acid methyl ester
+C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO	CMN	(1r,2r,3s,6r)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
+[C-]#[O+]	CMO	carbon monoxide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N	CMP	adenosine-3',5'-cyclic-monophosphate
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)[C@H](C)O)NC(=O)OCc2ccccc2	CMQ	n~2~-[(benzyloxy)carbonyl]-n-[(1s,2s)-2-hydroxy-1-(4-hydroxybenzyl)propyl]-l-leucinamide
+C[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O	CMR	2'-deoxy-cytidine-5'-rp-monomethylphosphonate
+CN(CC(=O)O)C(=O)N	CMS	carbamoyl sarcosine
+COC(=O)[C@H](CS)N	CMT	o-methylcysteine
+[H]/N=C\1/CCCN1CC2=C(C(=O)NC(=O)N2)Cl	CMU	5-chloro-6-(1-(2-iminopyrrolidinyl) methyl) uracil
+CCN1CCN(C(=O)C1=O)N[C@H](c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	CMV	(2r,4s)-2-[(1r)-1-({(2r)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2	CMW	3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)O)O	CMX	carboxymethyldethia coenzyme *a
+C(CCCNC(=O)O)CCN	CMY	(6-aminohexyl)carbamic acid
+Cc1ccc(c(c1)OC[C@H](CN2CCOCC2)O)C	CMZ	(2s)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
+C#N	CN	cyanide
+C1[C@@H]([C@H]([C@@H]([C@H](N1)C(=O)O)O)O)O	CN0	(2~{s},3~{r},4~{r},5~{s})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid
+O[Fe](O)(O)[O@]1O[Fe]1(O)(O)O[Fe](O)(O)(O)O	CN1	oxo-iron cluster 2
+COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3[C@H](CC2)NC(=O)CS)OC	CN2	2-mercapto-n-[1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl]acetamide
+CCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCCCCCCC	CN3	(2r,5s,11r,14r)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate
+c1cc(c(c(c1)F)CC[C@H]2CN[C@@H]3CCCS(=O)(=O)N2C3)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F	CN4	n-(2-{2-[(6r,9s)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
+CCCCCCCCCCCCCCC(=O)OCCCO[P@](=O)(O)OC[C@H](CO[P@](=O)(O)OCCCOC(=O)C)O	CN5	(5s,11r)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate
+CCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCC	CN6	(2r,5r,11s,14r)-2-(butanoyloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate
+Cc1ccccc1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CCN6CCOCC6	CN7	7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1h-indole-2-carboxylic acid
+CCNC(=O)[C@@H]1C[C@@H](CN1)NC(=O)[C@H](Cc2cn(nn2)CCNC(=O)c3ccc(cc3)S)NC	CN8	(4s)-n-ethyl-4-{[n-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)-l-alanyl]amino}-l-prolinamide
+Cc1c2c(ccn1)c3ccccc3[nH]2	CN9	1-methyl-9h-pyrido[3,4-b]indole
+c1cc(c[n+](c1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)N	CNA	carba-nicotinamide-adenine-dinucleotide
+O[Fe]1(O[Fe](O[Fe](O1)(O)(O)O)(O)(O)O)O	CNB	oxo-iron cluster 1
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5[C@]6([C@@]([C@@H](C7=[N]6[Co+2]89(N5C4=C(C1=[N]8C(=CC2=[N]9C(=C7C)[C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C([C@@H]1CCC(=O)N)(C)C)C)C#N)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O	CNC	cyanocobalamin
+c1c(c[nH+]cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	CND	5-beta-d-ribofuranosylnicotinamide adenine dinucleotide
+CCOc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2c(cccc2Cl)F)\C=C\C(=O)OC	CNE	(3s)-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-{[n-({2-ethoxy-5-[(1e)-3-methoxy-3-oxoprop-1-enyl]phenyl}acetyl)-d-valyl]amino}-4-oxopentanoic acid
+O[Fe]1(O[Fe]2([O@@]1[Fe](O2)(O)(O)(O)O)(O)O)(O)O	CNF	oxo-iron cluster 3
+C1CCCC(CCC1)NCC(=O)O	CNG	n-cyclooctylglycine
+CC(C)(C#N)O	CNH	2-hydroxy-2-methylpropanenitrile
+C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N	CNI	7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile
+c1ccc2c(c1)cccc2c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	CNK	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{h}-1,2,4-triazol-3-yl)oxane-3,4,5-triol
+CC1(C2CCC(O1)(CC2)C)C	CNL	1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
+CC(=O)N	CNM	acetamide
+C(#N)N	CNN	cyanamide
+CC(C)(C(=O)O)Oc1ccc(cc1)CC(=O)Nc2cccc(c2)NC(=O)Cc3ccc(cc3)OC(C)(C)C(=O)O	CNO	2-{4-[(3{2-[4-(1-carboxy-1-methyl-ethoxy)-phenyl]-acetylamino}-phenylcarbamoyl)-methyl]-phenoxy}-2-methyl-propionic acid
+CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(CC=C)C(=O)O)O	CNP	2-propenyl-n-acetyl-neuraminic acid
+c1cc(c2c(c1)ncc(n2)c3ccc(cc3)Cl)C(=O)N	CNQ	3-(4-chlorophenyl)quinoxaline-5-carboxamide
+C[C@@H](C(=O)O)Cl	CNR	(2s)-2-chloropropanoic acid
+CCCCCCCCCCCCCCCCOC(=O)CCCCCCC	CNS	hexadecyl octanoate
+CN[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O	CNT	n-methyl-meta-chloro-tyrosine
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N	CNU	5-cyano-uridine-5'-monophosphate
+CCC#N	CNV	propanenitrile
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N	CNW	7-diethylamino-2-oxo-chromene-3-carboxamide
+CCCCCCC#N	CNX	heptanenitrile
+C1[C@H]([C@@H]([C@@H]2[C@@H]([C@H]1N)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)NC[C@@H]4[C@H]([C@H]([C@@H](O4)O2)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)N	CNY	13,15-diamino-2-(aminomethyl)-3,4,9,12-tetrahydroxyhexadecahydro-2h-7,10-epoxypyrano[2,3-b][1,10,4]benzodioxazacyclododecin-8-yl 2,6-diamino-2,6-dideoxyhexopyranoside
+c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+]	CNZ	l-gamma-glutamyl-s-(2-biphenyl-4-yl-2-oxoethyl)-l-cysteinylglycine
+[Co+2]	CO	cobalt (ii) ion
+CN1/C(=C\c2ccccc2)/C(=O)Nc3ccccc3C1=O	CO0	(3~{z})-4-methyl-3-(phenylmethylidene)-1~{h}-1,4-benzodiazepine-2,5-dione
+C[C@H](CC[C@H]1C(O1)(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C	CO1	17-[3-(3,3-dimethyl-oxiranyl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyc lopenta[a]phenanthren-3-ol
+C(=O)=O	CO2	carbon dioxide
+C(=O)([O-])[O-]	CO3	carbonate ion
+Cc1c(cnc2c1c(nc(n2)N)N)C[N@@](C)c3cc(c(c(c3)OC)OC)OC	CO4	2,4-diamino-5-methyl-6-[(3,4,5-trimethoxy-n-methylanilino)methyl]pyrido[2,3-d]pyrimidine
+[OH2][Co+3]([OH2])([OH2])([OH2])[OH2]	CO5	cobalt ion,5 waters coordinated
+CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CO6	isobutyryl-coenzyme a
+C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O	CO7	s-{(9r,13r,15s)-17-[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2e)-but-2-enethioate
+CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CO8	octanoyl-coenzyme a
+C[C@@H](c1nc(co1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)N	CO9	1-({2-[(1s)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)-l-prolyl-l-tryptophan
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	COA	coenzyme a
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5=[N-]6C4=C(C7=[N]8[Co+2]69([N]1=C(C=C8C([C@@H]7CCC(=O)N)(C)C)[C@H]([C@](C1=C(C1=[N]9[C@@]5([C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C)C)(C)CC(=O)N)CCC(=O)N)C)C)CC(=O)N)C)O	COB	co-methylcobalamin
+C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC	COC	cocaine
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O	COD	dephospho coenzyme a
+C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	COE	furo[2,3d]pyrimidine antifolate
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)C(F)(F)F)O	COF	trifluoroacetonyl coenzyme a
+CN(Cc1cc(ccc1OC)OC)c2ccc3c(c2)c(nc(n3)N)N	COG	2,4-diamino-6-[n-(2',5'-dimethoxybenzyl)-n-methylamino]quinazoline
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O	COH	protoporphyrin ix containing co
+CC(C)CC(=O)C(=O)O	COI	2-oxo-4-methylpentanoic acid
+C/C/1=C/2\[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@](C(=N3)/C(=C\4/[C@@H](C(C(=N4)\C=C/5\[C@H]([C@](C1=N5)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O)/C)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O	COJ	hydrogenobyrinic acid
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCO)O	COK	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-4-{[3-({2-[(2-hydroxyethyl)dithio]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
+C1CSCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O	COL	2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]thiopyran-3-carboxylic acid
+C(CS(=O)(=O)O)S	COM	1-thioethanesulfonic acid
+[NH3][Co+3]([NH3])([NH3])[NH3]	CON	cobalt tetraammine ion
+CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	COO	crotonyl coenzyme a
+c1ccc(c(c1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N)C(=O)O	COP	n-(4-carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid
+CN(Cc1cc(cc(c1)OC)OC)c2cc3c(nc(nc3nc2)N)N	COQ	2,4-diamino-6-[n-(3',5'-dimethoxybenzyl)-n-methylamino]pyrido[2,3-d]pyrimidine
+c1ccc(cc1)C[C@@H](C([C@H](Cc2ccccc2)N)O)N	COR	2,4-diamino-1,5-diphenyl-3-hydroxypentane
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSS)O	COS	coenzyme a persulfide
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cccc5)O	COT	coa-s-acetyl tryptamine
+c1ccc2c(c1)C=CC(=O)O2	COU	coumarin
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@@H](CO4)CC(C)(C)O)C	COV	(1s,3r,5z,7e,14beta,17alpha)-17-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OCC1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4N)O	COW	anthraniloyl-coenzyme a
+Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N	COX	4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C7=C([C@H]8[C@@]([C@@H](C9=CC1C([C@@H](C2=C(C4[N-]5[Co+2](N12)(N89)(N76)CCCCCn1cnc2c1ncnc2N)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O	COY	co-(adenin-9-yl-pentyl)-cobalamin
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O	COZ	coenzyme a
+C(=O)(N)OP(=O)(O)O	CP	phosphoric acid mono(formamide)ester
+CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7	CP0	(4s)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate
+CNCCN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N	CP1	2-(methylamino)-ethylglycine-carbonylmethylene-cytosine
+C[C@@H](CCl)Cl	CP2	1,2-dichloro-propane
+Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)C)CCC(=O)O)CCC(=O)O)C)CCC(=O)O)C	CP3	coproporphyrinogen iii
+c1cc2c(cc1Cl)cc([nH]2)C(=O)NCCOCCOCCNC(=O)c3cc4cc(ccc4[nH]3)Cl	CP4	bis[5-chloro-1h-indol-2-yl-carbonyl-aminoethyl]-ethylene glycol
+c1ccc(cc1)/C(=C/OP(=O)=O)/C(=O)[O-]	CP5	(2z)-3-{[oxido(oxo)phosphino]oxy}-2-phenylacrylate
+CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl	CP6	5-(4-chloro-phenyl)-6-ethyl-pyrimidine-2,4-diamine
+CCc1c(c(nc(n1)N)N)c2ccccc2	CP7	6-ethyl-5-phenylpyrimidine-2,4-diamine
+C[N@@]1c2ccc(cc2CS1(=O)=O)[C@H]3CN(C(=O)CO3)Cc4ccccc4	CP8	2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl) ethyl-4-(4'-ethoxy [1,1'-biphenyl]-4-yl)-4-oxobutanoic acid
+Cc1nc2cnccc2n1c3ccc(cc3)CN4c5ccccc5SC4=O	CP9	3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)benzyl]-3h-benzothiazol-2-one
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)N)O)N	CPA	2'-deoxycytidine-2'-deoxyadenosine-3',5'-monophosphate
+C[N@]1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O	CPB	2-(2-chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-4-yl)-4h-benzopyran-4-one
+C[C@H]1C[C@]1(C(=O)O)NC	CPC	2-methyl-1-methylamino-cyclopropane carboxylic acid
+CCNC(=O)N(CCCN(C)C)[P@](=O)(Cc1ccc(cc1)NC(=O)C(F)(F)F)O[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(=O)C(Cl)Cl	CPD	[1-(3-dimethylamino-propyl)-3-ethyl-ureido]-[4-(2,2,2-trifluoro-acetylamino)-benzyl]phosphinic acid-2-(2,2-dihydro-acetylamino)-3-hydroxy-1-(4-nitrophenyl)-propyl ester
+c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4	CPF	1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	CPG	guanosine-5'-phosphate
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O)O	CPH	(1s)-5-deoxy-1-o-methyl-1-c-[(2r,3s)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-d-xylulose
+C1CCN[C@H](C1)C(=O)O	CPI	6-carboxypiperidine
+CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O	CPJ	bis-1,2-{[(z)-2-carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane
+CC1(OCC(CO1)OC(=O)N2CCN(CC2)C(=O)OC3COC(OC3)(C)C(=O)O)C(=O)O	CPK	bis-1,2-{[(z)-2carboxy-2-methyl-1,3-dioxane]-5-yloxycarbonyl}-piperazine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	CPL	1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine
+CS(=N)(=N)C[C@@H](Cc1ccccc1)C(=O)O	CPM	s-(2-carboxy-3-phenylpropyl)thiodiimine-s-methane
+C1=CN(C(=O)N=C1N)CC(=O)N(CC[NH3+])CC(=O)O	CPN	2-aminoethylglycine-carbonylmethylene-cytosine
+C/C/1=C\C2=O[Fe]345(O=C(N(O3)CCC[C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)C=C(C)CCO)O=C(N(O5)CCC[C@H](C(=O)OCC1)NC(=O)C)C=C(C)CCO	CPO	coprogen
+C[C@@H](CC1CC1)C=O	CPP	2-cyclopropylmethylenepropanal
+C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	CPQ	n,n-bis(3-d-gluconamidopropyl)deoxycholamide
+c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)Cl	CPR	6-chloropurine riboside, 5'-monophosphate
+C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	CPS	3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate
+[NH3][Pt]([NH3])(Cl)Cl	CPT	cisplatin
+c1ccc(cc1)CCCNC(=O)NC2CCCCC2	CPU	n-cyclohexyl-n'-(propyl)phenyl urea
+CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O	CPV	5-amino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid
+C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	CPW	(s)-2-amino-3-(1,3,5,7-pentahydro-2,4-dioxo-cyclopenta[e]pyrimidin-1-yl) proionic acid
+CC(C)[C@@H](C(=O)N1CC[C@@H]([C@H]1C2(CCC2)C=O)NC(=O)C3CC3)NC(=O)NC4CCCC4	CPX	n-[(2r,3s)-1-((2s)-2-{[(cyclopentylamino)carbonyl]amino}-3-methylbutanoyl)-2-(1-formyl-1-cyclobutyl)pyrrolidinyl]cyclopropanecarboxamide
+C1CCC(CC1)C[C@@H]([C@H](CN2C=CC=CC2=O)O)N	CPY	1-(3-amino-4-cyclohexyl-2-hydroxybutyl)pyridin-2(1h)-one
+c1cc(ccc1c2cnc[nH]2)Cl	CPZ	4-(4-chlorophenyl)imidazole
+Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4	CQ0	3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-n-cyclopropyl-4-methylbenzamide
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N=[N+]=[N-])/C(=O)N1CC(=O)O)N)O	CQ1	[(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N)/C(=O)N1CC(=O)O)N)O	CQ2	{(4z)-4-(4-aminobenzylidene)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)NC3CCOCC3)Cl	CQ3	n-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
+[O-][Cr](=O)(=O)[O-]	CQ4	chromate
+C[C@H](CC(=O)N1CCC(CC1)(CN2C=NC(=CC2=O)NCCN3CCCC3)O)c4ccccc4	CQ5	3-[[4-oxidanyl-1-[(3~{r})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one
+CCS(=O)(=O)N1CCc2cnc(nc2C1)NC3CCOCC3	CQ6	7-ethylsulfonyl-n-(oxan-4-yl)-6,8-dihydro-5h-pyrido[3,4-d]pyrimidin-2-amine
+Cc1nc2ccc(cc2o1)c3c[nH]c4c3c(nc(n4)Nc5ccc(cc5OC)C(=O)NC)OC6CCCC6	CQ7	4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-n-methylbenzamide
+CNC(=O)c1ccccc1Nc2cc(ncc2Cl)NC3CCOCC3	CQ8	2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-n-methyl-benzamide
+CN1C(=O)c2ccccc2NC(=O)[C@]13[C@@H](O3)c4ccccc4	CQ9	(3~{r},3'~{s})-4-methyl-3'-phenyl-spiro[1~{h}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
+CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl	CQA	4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol
+CC(C)C[C@@H](C(=O)O)NC(=O)O[C@@H](CCC(=O)O)C(=O)O	CQB	(2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid
+CC\1=NN(C(=O)/C1=C(/c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)\O)C	CQC	5-[(~{z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione
+c1cc2c(nc1)C(=O)C(=C(C2=O)Cl)NCCN3CCOCC3	CQD	6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione
+CC(=O)Nc1cc(ccn1)c2c(nc(s2)C3CCN(CC3)C4CC4)c5cccc(c5F)NS(=O)(=O)c6cc(ccc6F)F	CQE	n-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide
+Cc1nnc2n1-c3ccc(cc3[C@@H](CC2)Nc4ccc(cc4)Cl)c5cnn(c5)C	CQF	(6~{r})-~{n}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{h}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
+c1cnccc1O	CQG	pyridin-4-ol
+CCCc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)CC3=[S+]C(=O)N=C3[O-]	CQH	5-[[4-[[(2~{s})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCC	CQI	[(2~{s},3~{s},4~{s},5~{r},6~{s})-6-[(2~{s})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
+Cc1ccnc(c1)O	CQJ	4-methylpyridin-2-ol
+c1cnc(cc1c2n[nH]nn2)C(=O)NO	CQK	~{n}-oxidanyl-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
+c1cc2c(cc(c(c2nc1)O)I)Cl	CQL	5-chloro-7-iodoquinolin-8-ol
+C[C@](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(C(=O)O)O	CQM	citramalyl-coa
+CC(C)COC[C@@H](CN(Cc1ccccc1)c2ccccc2)N3CCCC3	CQN	bepridil
+COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN	CQO	3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine
+c1cc2cnccc2c(c1)S(=O)(=O)NC[C@@H]3C[C@H](CN3)OCc4ccc(cc4)Cl	CQP	(4r,2s)-5'-(4-(4-chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
+CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4	CQQ	4-{[4-(dimethylamino)butanoyl]amino}-n-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)O	CQR	[(4z)-2-(aminomethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1cc(ccc1CCNC(=O)Cn2cnc3c2ncnc3N)S(=O)(=O)N	CQS	2-(6-amino-9h-purin-9-yl)-n-[2-(4-sulfamoylphenyl)ethyl]acetamide
+c1cnc(cc1c2n[nH]nn2)C(=O)NCCCN3CCOCC3	CQT	~{n}-(3-morpholin-4-ylpropyl)-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
+Cc1[nH]c(nn1)c2ccccc2Nc3c4cc[nH]c4ncn3	CQU	n-[2-(5-methyl-4h-1,2,4-triazol-3-yl)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CCCCc1ccc(nc1)C(=O)O	CQV	5-butylpyridine-2-carboxylic acid
+c1c(c2c([nH]1)ncnc2[N@]3CCc4c(nc[nH]4)C3)Cl	CQW	5-(5-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine
+CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	CQX	(2s,3s,4s,5s,6r)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
+CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC4)[N+](=O)[O-]	CQY	(3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone
+c1cnc(cc1C(=O)O)NCCCO	CQZ	2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid
+[Cr+3]	CR	chromium ion
+CC(C)CC1=N[C@@](N(C1=O)CC=O)([C@H]([C@@H](C)O)N)O	CR0	[2-(1-amino-2-hydroxypropyl)-2-hydroxy-4-isobutyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl]acetaldehyde
+COC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	CR1	n-(methoxycarbonyl)-beta-d-glucopyranosylamine
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)O	CR2	{(4z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N	CR3	2-{5-[amino(iminio)methyl]-1h-indol-2-yl}-6-(cyclopentyloxy)benzenolate
+c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-]	CR4	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}benzenolate
+C(C(=O)O)[N+]1=C(C(=O)N[C@@]1(CN)O)O	CR5	(2r)-2-(aminomethyl)-2,4-dihydroxy-5-oxo-3-(2-oxoethyl)-2,5-dihydro-1h-imidazol-3-ium
+CC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N	CR6	1-deoxy-1-acetylamino-beta-d-gluco-2-heptulopyranosonamide
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CCCCN)N)CC(=O)O)O	CR7	[(4z)-2-[(1s)-1,5-diaminopentyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1c([nH]cn1)C[C@@H](c2nc(c(n2CC(=O)O)[O-])C=C3C=CC(=O)C=C3)N	CR8	2-[1-amino-2-(1h-imidazol-5-yl)ethyl]-1-(carboxymethyl)-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1h-imidazol-5-olate
+C[C@H]1CCCC[C@@H]1Oc2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)F	CR9	2-{5-[amino(iminio)methyl]-6-fluoro-1h-benzimidazol-2-yl}-6-[(2-methylcyclohexyl)oxy]benzenolate
+COC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N	CRA	1-deoxy-1-methoxycarbamido-beta-d-gluco-2-heptulopyranosonamide
+C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O	CRB	[1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid
+CCCCCCCCCC(=O)O	CRC	capric acid
+C\C=C\C=O	CRD	(2e)-but-2-enal
+CC1=CCCC(=CC[C@@H](CC1)C(=C)C)C	CRE	germacrene a
+C[C@H]([C@@H](C1=NC(=Cc2c[nH]c3c2cccc3)C(=O)N1CC(=O)O)N)O	CRF	[(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(1h-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C[C@H]([C@@H](C1=N/C(=C\c2c[nH]cn2)/C(=O)N1CC(=O)O)N)O	CRG	[2-(1-amino-2-hydroxy-propyl)-4-(3h-imidazol-4-ylmethylene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid
+Cc1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC	CRH	1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihyroxy-7-methylanthracene
+Cc1ccc(cc1)C(=O)Nc2cc(cc(c2)C(=O)N(C)C)c3ccc(cc3)C(=O)NO	CRI	5-(4-methyl-benzoylamino)-biphenyl-3,4'-dicarboxylic acid 3-dimethylamide-4'-hydroxyamide
+c1cc(ccc1[C@@H](C(F)(F)F)N[C@@H](CS(=O)(=O)C[C@@H]2CCC(=O)N2)C(=O)NC3(CC3)C#N)F	CRJ	n-(1-cyanocyclopropyl)-3-({[(2s)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)eth yl]-l-alaninamide
+CSCCC(=O)C1=N/C(=C/c2ccc(cc2)[O-])/C(=O)N1CC=O	CRK	4-{(z)-[2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4h-imidazol-4-ylidene]methyl}benzenolate
+C[Si](C)(C)C[C@@H](C(=O)NC1(CCS(=O)(=O)CC1)C#N)NC(=O)N2CCOCC2	CRL	n-{(1r)-2-[(4-cyano-1,1-dioxidotetrahydro-2h-thiopyran-4-yl)amino]-2-oxo-1-[(trimethylsilyl)methyl]ethyl}morpholine-4-carboxamide
+C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O	CRM	3-[8-((2s,3s,4r)-2,3,4,5-tetrahydroxypentyl)-2,4,7-trioxo-1,3,8-trihydropteridin-6-yl]propanoic acid
+CN(CC(=O)O)C(=N)N	CRN	n-[(e)-amino(imino)methyl]-n-methylglycine
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N)O	CRO	{2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl	CRP	((1rs,3sr)-2,2-dichloro-n-[(r)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)C(=N)CCC(=O)N)CC(=O)O)O	CRQ	[2-(3-carbamoyl-1-imino-propyl)-4-(4-hydroxy-benzylidene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid
+c1ccc2c(c1)c(c[nH]2)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5	CRR	3,4-di-1h-indol-3-yl-1h-pyrrole-2,5-dicarboxylic acid
+Cc1cccc(c1)O	CRS	m-cresol
+C/C(=C\C=C\C(=C\C=C\C(=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)\C)\C)/C=CCC(C)(C)OC	CRT	spirilloxanthin
+[H]/N=C(/CCC(=O)O)\C1=N/C(=C/c2ccc(cc2)O)/C(=O)N1CC(=O)O	CRU	4-[(4z)-1-(carboxymethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-2-yl]-4-iminobutanoic acid
+c1ccc(cc1)CS(=O)(=O)C[C@@H](C(=O)NC2(CC2)CN)N[C@@H](c3ccc(cc3)O)C(F)(F)F	CRV	n-[1-(aminomethyl)cyclopropyl]-3-(benzylsulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]-l-alaninamide
+C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N	CRW	[2-(1-aminoethyl)-4-methylene-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C[C@@H]([C@]1(NC(=C)C(=O)N1CC(=O)O)O)N	CRX	[2-(1-aminoethyl)-2-hydroxy-4-methylene-5-oxoimidazolidin-1-yl]acetic acid
+C(C(CO)O)O	CRY	propane-1,2,3-triol
+c1ccc2c(c1)c3ccccc3n2CCCC(=O)O	CRZ	4-(9h-carbazol-9-yl)butanoic acid
+[Cs+]	CS	cesium ion
+C(CSC[C@@H](C(=O)O)N)O	CS0	s-(2-hydroxyethyl)-l-cysteine
+c1ccc(c(c1)N)SSC[C@@H](C(=O)O)N	CS1	s-(2-anilinyl-sulfanyl)-cysteine
+C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O	CS2	d-mannonic acid
+c1cc(sc1)C(=O)CCSC[C@@H](C(=O)O)N	CS3	s-[3-oxo-3-(2-thienyl)propyl]-l-cysteine
+c1cc(c(cc1C(=O)CCSC[C@@H](C(=O)O)N)Cl)Cl	CS4	s-[3-(3,4-dichlorophenyl)-3-oxopropyl]-l-cysteine
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C	CS5	n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-methyl-n,n-dipropylisophthalamide
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)OCc4ccccc4)O)C	CS7	n'-[(1s,2r)-2-[(2r,4r)-4-(benzyloxy)pyrrolidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylisophthalamide
+CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CS8	3-thiaoctanoyl-coenzyme a
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)Oc4ccccc4)O)C	CS9	n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl}-5-methyl-n,n-dipropylisophthalamide
+CC(=O)CSC[C@@H](C(=O)O)N	CSA	s-acetonylcysteine
+C([C@@H](C(=O)O)N)S[Pb+]	CSB	cys bound to lead ion
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)[NH3+])SC1)C(=O)O	CSC	4-(3-acetoxymethyl-2-carboxy-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-7-ylcarbamoyl)-1-carboxy-butyl-ammonium
+C([C@@H](C(=O)O)N)[S@@](=O)O	CSD	3-sulfinoalanine
+C([C@@H](C(=O)O)N)[SeH]	CSE	selenocysteine
+CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O	CSF	cytidine-5'-monophosphate-3-fluoro-n-acetyl-neuraminic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N	CSG	2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)
+c1c(nc[nH]1)CC2C(=O)N(C(N2)[C@H](CO)N)CC(=O)O	CSH	[2-(2-hydroxy-1-methyl-ethyl)-4-(1h-imidazol-4-ylmethyl)-5-oxo-imidazolidin-1-yl]-acetic acid
+[H]/N=C\1/NCC[C@@H](N1)[C@@H](C(=O)O)NC(=O)O	CSI	amino-(2-imino-hexahydro-pyrimidin-4-yl)-acetic acid
+c1ccc(c(c1)C(=O)SC[C@@H](C(=O)O)N)N	CSJ	s-[(2-aminophenyl)carbonyl]-l-cysteine
+C[Se]SC[C@@H](C(=O)O)N	CSK	s-(methylselanyl)-l-cysteine
+C[Se][C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	CSL	(d)-2'-methylselenyl-2'-deoxycytidine-5'-phosphate
+COC[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	CSM	1-{2,5-anhydro-6-o-methyl-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione
+c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O	CSN	n,4-dihydroxy-n-oxo-3-(sulfooxy)benzenaminium
+C([C@@H](C(=O)O)N)SO	CSO	s-hydroxycysteine
+C([C@@H](C(=O)O)N)SP(=O)(O)O	CSP	s-phosphocysteine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[P@@](=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)S)O	CSQ	o-[(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] o-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (r)-phosphorothioate
+C([C@@H](C(=O)O)N)S[As](=O)(O)O	CSR	s-arsonocysteine
+C([C@@H](C(=O)O)N)SS	CSS	s-mercaptocysteine
+C([C@@H](C(=O)O)N)SS(=O)(=O)O	CSU	cysteine-s-sulfonic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[P@](=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)S)O	CSV	o-[(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] o-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (s)-phosphorothioate
+C([C@@H](C(=O)O)N)S(=O)O	CSW	cysteine-s-dioxide
+C([C@@H](C(=O)O)N)[S@H]=O	CSX	s-oxy cysteine
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O	CSY	[(4z)-2-[(1r)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C([C@@H](C(=O)O)N)S[SeH]	CSZ	s-selanyl cysteine
+c1csc(n1)NC(=O)C(=O)NC2CCCC2	CT0	n1-cyclopentyl-n2-(thiazol-2-yl)oxalamide
+CCCC[C@@H](C=O)NC(=O)O[C@H](Cc1ccccc1)C(C)C	CT1	(1r)-2-methyl-1-(phenylmethyl)propyl[(1s)-1-formylpentyl]carbamate
+CCCC[C@@H](C=O)NC(=O)OC1(CCCC1)Cc2ccccc2	CT2	1-(phenylmethyl)cyclopentyl[(1s)-1-formylpentyl]carbamate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	CT3	beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranose
+CN/C(=N\[N+](=O)[O-])/NCc1cnc(s1)Cl	CT4	1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
+CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccc4c(c3)OCCO4	CT5	4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1h-pyrazol-5-yl]-6-ethylbenzene-1,3-diol
+c1cc(cc(c1)Br)c2cc(n3c(n2)ccn3)NCc4ccncc4	CT6	(5z)-5-(3-bromocyclohexa-2,5-dien-1-ylidene)-n-(pyridin-4-ylmethyl)-1,5-dihydropyrazolo[1,5-a]pyrimidin-7-amine
+CS(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncc3)Cl	CT7	(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-(4-methanesulfonylphenyl)amine
+c1cc(cc(c1)Br)c2cc([n+]3c(n2)nc[nH]3)NCc4ccncc4	CT8	(5z)-5-(3-bromocyclohexa-2,5-dien-1-ylidene)-n-(pyridin-4-ylmethyl)-1,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CC(C)c1cnn2c1nc(cc2Nc3ccc(cc3)S(=O)(=O)N(C)C)NC4CCC(CC4)N	CT9	4-[5-(trans-4-aminocyclohexylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-7-ylamino]-n,n-dimethylbenzenesulfonamide
+c1ccc(cc1)C[C@@H]2C(=O)N[C@H](\C=C\C(=O)NC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)C(=O)N2)CCCNC(=N)N)NC=O)Cc4ccc(cc4)O	CTA	cyclotheonamide a
+B(CNC(=O)Cc1cccs1)(O)O	CTB	n-2-thiophen-2-yl-acetamide boronic acid
+C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O	CTC	7-chlorotetracycline
+C1=CN(C(=O)C=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	CTD	3-deazacytidine
+c1cc2c(c[nH]c2c(c1)Cl)C[C@@H](C(=O)O)N	CTE	7-chlorotryptophan
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2CC#N)OS(=O)(=O)N)OC	CTF	(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate
+C[C@]1([C@@H](N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O)O	CTG	(5r,6s)-5,6-dihydro-5,6-dihydroxythymidine-5'-monophosphate
+C([C@H]([C@@H](C(=O)O)N)O)Cl	CTH	4-chlorothreonine
+C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5	CTI	1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O	CTJ	1-({(2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2h-1,3-thiazin-5-yl}methyl)pyridinium
+CS(=O)(=O)NCCNc1cc(ccn1)C(=O)O	CTK	2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid
+c1ccc2c(c1)CC[C@@H]([C@@H]2O)N	CTL	cis-(1r,2s)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
+CCO[C@@H](Cc1ccc(cc1C)OCc2csc(n2)c3ccc(cc3)Cl)C(=O)O	CTM	(2s)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	CTN	4-amino-1-beta-d-ribofuranosyl-2(1h)-pyrimidinone
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)NC(=O)C)O	CTO	triacetylchitotriose
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O	CTP	cytidine-5'-triphosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	CTR	cellotriose
+C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O	CTS	castanospermine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O	CTT	beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranose
+C/C(=C\1/c2ccc(cc2COc3c1ccc(c3)F)Cc4c(nc5n4cccc5Cl)C6CC6)/C7=NOC(=O)N7	CTU	3-[(1~{e})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{h}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{h}-1,2,4-oxadiazol-5-one
+CC(=CCC/C(=C\C#N)/C)C	CTV	(2z)-3,7-dimethylocta-2,6-dienenitrile
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F	CTW	n-(4-fluorobenzoyl)-l-gamma-glutamyl-5-{[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-l-norvaline
+CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3	CTX	(z)-2-[4-(1,2)-diphenyl-1-butenyl)-phenoxy]-n,n-dimethylethanamine
+CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O	CTY	clarithromycin
+c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)O)c5ccc(cc5)O	CTZ	c2-hydroxy-coelenterazine
+[Cu+2]	CU	copper (ii) ion
+C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)O	CU0	[(2~{r},3~{s},4~{s})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
+[Cu+]	CU1	copper (i) ion
+[Cu+3]	CU3	copper (iii) ion
+CS(=O)(=O)c1ccc(cc1)c2c(cn(n2)c3ccc(cc3)C#N)C(=O)Nc4cccc(c4)F	CU4	1-(4-cyanophenyl)-n-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide
+COc1c(cc(c2c1O[C@@H](CC2=O)c3ccccc3)O)O	CU5	s-dihydrowogonin
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)([O])[O])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	CU6	[cuii(biot-et-dpea)]2+
+C([C@H](COP(=O)(O)OC[C@H](CO)O)O)O	CU7	(2r)-2,3-dihydroxypropyl (2s)-2,3-dihydroxypropyl hydrogen phosphate
+Cc1cccc(c1)c2ccnc3n2ncc3C(=O)N	CU8	7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+C[N+]1(CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5OC)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)OC)(C)C)OC)C	CU9	6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium
+[Cu][Cu]	CUA	dinuclear copper ion
+CCCCN([C@@]12O[Mo+4]1(=O)S2)[Cu+]	CUB	cu(i)-s-mo(iv)(=o)o-nbic cluster
+C1CCC(CC1)[C@@H](C(=O)O)N	CUC	cyclohexylglycyl 
+C1=CN(C(=O)N=C1N)C[C@H](C(=O)O)N	CUD	3-(4-amino-2-oxopyrimidin-1(2h)-yl)-d-alanine
+c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O	CUE	coumestrol
+c1cc2c(cc1OCCN3CCCCC3)O[Cu]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F	CUF	[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappao}(2-)]copper (ii)
+CO/N=C(\c1csc(n1)N)/C(=O)N[C@H]([C@@H]2NC(=C(CS2)CO)C(=O)O)C(=O)O	CUG	(2r)-2-[(s)-{[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1ccc(cc1)C(=O)c2ccc(c(c2O)O)O	CUH	2,3,4-trihydroxybenzophenone
+S1[Cu]S([Cu]1)([Cu])[Cu]	CUK	[4cu:2s] cluster
+Cl[Cu]Cl	CUL	copper (ii) chloride
+O[Mo+6](=O)S[Cu+]	CUM	cu(i)-s-mo(vi)(=o)oh cluster
+O[Mo+4](=O)S[Cu+]	CUN	cu(i)-s-mo(iv)(=o)oh cluster
+O1[Cu]O[Cu]1	CUO	cu2-o2 cluster
+c1ccc(cc1)C[C@H]2C(=O)O[Cu]3[N]2=Cc4ccccc4O3	CUP	(n-salicyliden-l-phenylalanato)-copper(ii)
+c1ccc(cc1)C(=O)c2ccc(c(c2)O)O	CUQ	[3,4-bis(oxidanyl)phenyl]-phenyl-methanone
+COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=C\c2ccc(c(c2)OC)O)/O	CUR	(1z,4z,6e)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one
+CC(C)C[C@H]1C(=O)O[Cu]2[N]1=Cc3ccccc3O2	CUS	(n-salicyliden-l-leucinato)-copper(ii)
+c1ccc(cc1)C(=O)c2ccc(cc2O)O	CUT	[2,4-bis(oxidanyl)phenyl]-phenyl-methanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)O)O)N	CUU	[(2~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
+S1[Fe][S]2[Fe]1S[Fe]2S[Fe][Ni]	CUV	fe(4)-ni(1)-s(4) cluster, oxidized
+C(C[C@H]([C@@H](C(=O)O)N)O)CN	CUW	(2~{s},3~{r})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid
+c1cc(ccc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4NCC=O)O)O)O)Cl	CUX	2-[[7-[(2~{r},3~{r},4~{s},5~{r})-5-[(~{r})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal
+CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC	CUY	tetracosyl octadecanoate
+S123[Cu]4[Cu]15[Cu]24[Cu]35	CUZ	(mu-4-sulfido)-tetra-nuclear copper ion
+CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Rh]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C)C	CV0	mesoporphyrin ix containing rh
+c1nc2c3c([n+]1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(OP(=O)(OC[C@@H]5[C@H]([C@H]([C@H](n2c(n3)Br)O5)O)O)O)O)O)O)N	CV1	(2r,3r,4s,5r,13r,14s,15r,16r)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide
+C=C(c1ccccc1)[C@@H](N)P(=O)(O)O	CV2	(s)-(1-amino-2phenylallyl)phosphonic acid
+CN1/C(=C\c2ccc(cc2)C(F)(F)F)/C(=O)Nc3ccccc3C1=O	CV3	(3~{z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{h}-1,4-benzodiazepine-2,5-dione
+CNS(=O)(=O)c1cccc(c1)Nc2cc(ncn2)Nc3ccc(cc3)C(F)(F)F	CV4	n-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide
+COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@@H](CC(=O)O)c5ccccc5)C3	CV5	(3~{s})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid
+CC(C)(CO)c1cc2cc(c(cc2n1CC(=O)CO)F)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F	CV6	tezacaftor
+C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O	CV7	desisobuytyryl ciclesonide
+C[C@@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC	CV8	2-[(~{e})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]ethanone
+C[C@H]1/C=C\C=C\C=C\[C@H](C[C@H]([C@H](c2nc(co2)/C=C\C=C\[C@@H]([C@@H](/C=C(/C=C\C=C\C=C/C(=O)O[C@H]1[C@@H](C)[C@H](C[C@H](C)O)O)\C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)OC)OC)C)OC)O	CV9	(2~{r},3~{r},5~{s},6~{e},8~{e},10~{z},12~{s},13~{r},16~{z},18~{e},20~{z},22~{e},24~{r},25~{s},26~{e},28~{z})-13-[(2~{s},3~{s},5~{s})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{r},3~{r},4~{s},5~{r},6~{r})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one
+COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)NCCO)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5	CVA	2-[(4-{5-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-n-(2-hydroxyethyl)acetamide
+B(c1ccc(cc1)\C=C\C(=O)O)(O)O	CVB	4-(carboxyvin-2-yl)phenylboronic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[V](O3)(O)O	CVC	[(1~{r},5~{r},6~{r},8~{r})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,3-bis(oxidanyl)-2,4,7-trioxa-3$l^{4}-vanadabicyclo[3.3.0]octan-8-yl]methyl dihydrogen phosphate
+COc1ccccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O	CVD	(2s)-1-(8h-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
+C[C@H](C(=O)N[C@@H](CC(=O)O)CO)N1C(=O)C(=CN(C1=O)C)NC(=O)c2ccc(cc2)Nc3cnc4ccccc4n3	CVE	(3~{s})-3-[[(2~{r})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid
+CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(=O)O	CVF	3-[4-(2-acetamidoethyl)phenyl]benzoic acid
+Cc1ccc(nn1)O	CVG	6-methylpyridazin-3-ol
+CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C	CVI	crystal violet
+CCC(=O)N[C@@H](C)c1ccc(cc1)NC(=O)[C@H]2C[C@@H]2c3cccnc3	CVJ	(1s,2s)-n-{4-[(1s)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
+CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4	CVK	4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{n}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline
+CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OCCCCOc3ccc(cc3)c4[nH]nnn4)OC)(C)C	CVL	5-[4-methoxy-3-[4-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one
+C1CCC(CC1)CCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	CVM	cymal-4
+c1cc(c2c(c1)ONC2=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F	CVN	4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one
+C1CNCCC1COC(=O)N2CCC(CC2)(CN)F	CVO	piperidin-4-ylmethyl 4-(aminomethyl)-4-fluoranyl-piperidine-1-carboxylate
+c1cc(cnc1)CNC(=O)Nc2ccc(cc2)CNC(=O)c3ccc(cc3)CN4CCNCC4	CVP	4-[(piperazin-1-yl)methyl]-n-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide
+COc1cnccc1Nc2c(cnc(n2)c3c4ccccc4n(n3)Cc5c(cc(cc5F)OCCO)F)OC	CVQ	2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol
+[H]/N=C/1\c2c3n(cn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(OC[C@H]5C[C@@H](N1C=N3)[C@@H]([C@@H]5O)O)O)O)O)O	CVR	cyclic adenosine 5'-diphosphocarbocyclic ribose
+COc1cc(cc(c1OC)OC)C(=O)N/N=C/c2cccc3c2cccc3	CVT	3,4,5-trimethoxy-~{n}-[(~{e})-naphthalen-1-ylmethylideneamino]benzamide
+C[C@@H]([C@H]([C@H](C(=O)CO)O)O)O	CVU	l-fuculose open form
+c1cc(cc(c1)I)C(=O)N[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(c6c5[C@]3([C@H]2O6)CCN4CC7CC7)O	CVV	n-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide
+Cc1ccc2c(c1)c(c[nH]2)CCN	CVW	2-(5-methyl-1~{h}-indol-3-yl)ethanamine
+CCCCO[P@@](=O)(C)O	CVX	o-butlylmethylphosphonic acid ester group
+CCN(CCCCCN1C(=CC(=O)N(C1=O)/C=C/CCCN(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-]	CVZ	3-[(~{e})-5-[ethyl-[(2-nitrophenyl)methyl]amino]pent-1-enyl]-1-[5-[ethyl-[(2-nitrophenyl)methyl]amino]pentyl]-6-methyl-pyrimidine-2,4-dione
+c1ccc(cc1)[C@@H]2C[C@H]2NCC3(CCN(CC3)C(=O)OCC4CCNCC4)F	CW0	piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{r},2~{s})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
+C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@@H](O4)COC)O[C@H](O5)C(O6)(C)CCOC=O)O)C(C)C)C)(COC)O	CW1	cotylenin a
+C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl	CW2	n,n'-(octane-1,8-diyl)bis(2,2-dichloroacetamide)
+CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C=C)C	CW4	(4r)-4-(5-ethenyl-1h-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1h-2-benzopyran-1-one
+C[C@@H](c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)C(=O)N4CCCC4)Cl)OC	CW5	1-[2-chloranyl-7-[(1~{s})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea
+CC(C)(c1ccc(cc1)O)c2ccc(c(c2)F)O	CW6	2-fluoranyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
+CC(C)C1=C2[C@H]([C@@H](C(=C)[C@@H]3CC[C@@]([C@H]3C[C@]2(CC1)C)(COC)O)O)O[C@@H]4[C@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O	CW7	cotylenin a
+CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C(F)F)C	CWA	(4r)-4-[5-(difluoromethyl)-1h-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1h-2-benzopyran-1-one
+Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C	CWB	1-methyl-n-[(1r,5s)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
+CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3	CWC	4-(dimethylamino)-n-[5-(1h-indol-4-yl)pyridin-3-yl]butanamide
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Cl	CWD	3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine
+c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O	CWE	r-naringenin
+C[C@@H](CCCCCCC(=O)O)N	CWF	(8s)-8-azanylnonanoic acid
+Cc1c(c(nnc1c2ccc(cc2)Cl)OC)C	CWG	3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine
+C[C@@H]1[C@H](O[C@@H]([C@H](C1=O)C)O)C[C@H](CC[C@H](C)CC[C@@H](CC[C@H](C)CCNC(=O)[C@H](C)O)O)OC(=O)C	CWH	[(2~{s},5~{r},8~{s},11~{s})-1-[(2~{r},3~{r},5~{r},6~{s})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimeth yl-8-oxidanyl-13-[[(2~{s})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate
+Cc1cc2cc(ccc2[nH]1)OC	CWJ	5-methoxy-2-methyl-1h-indole
+c1cc(ccc1C#N)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	CWK	3'-chloro-4'-(alpha-d-mannopyranosyloxy)biphenyl-4-carbonitrile
+C[C@H]([C@H](CCCCCC(=O)O)CC(=O)O)N	CWL	(3r)-3-[(1r)-1-azanylethyl]nonanedioic acid
+Cc1[nH]c2c(n1)cccc2O	CWM	2-methyl-1h-benzimidazol-7-ol
+Cc1c(ncs1)C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C	CWN	ntme polyamide
+[O][W]1234O[Co]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	CWO	 co(ii)-substituted wells-dawson
+Cc1ccc2c(n1)[nH]c(n2)NCc3cc(nn3C)C	CWP	n-[(1,3-dimethyl-1h-pyrazol-5-yl)methyl]-5-methyl-3h-imidazo[4,5-b]pyridin-2-amine
+C[NH+](C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5cccc(c5n4)O	CWQ	2-[[(3~{r})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium
+CC1=NCN(C1=O)CC(=O)O	CWR	(4-methyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl)acetic acid
+Cc1ccc2c(c1)c(ncn2)N	CWS	6-methylquinazolin-4-amine
+CC(C)NC1=N/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1C	CWT	(5z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one
+c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)O	CWU	5-[[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
+B(c1cccc(c1)c2ccc3c(c2)ccnc3N)(O)O	CWV	[3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid
+CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cc(cn3)Br	CWW	4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{n}-pyridin-3-yl-pyridine-3-carboxamide
+CNS(=O)(=O)c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	CWX	4'-(alpha-d-mannopyranosyloxy)-biphenyl-4-methyl sulfonamide
+COc1cccc(c1)C(=O)N[C@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N	CWY	(1s,2s,4s,5r,6s)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
+c1cc(cc(c1)c2cccc(c2)CN3CCc4c(scn4)C3)CNCCc5cccnc5	CWZ	n-[[3-[3-(6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridin-5-ylmethyl)phenyl]phenyl]methyl]-2-pyridin-3-yl-ethanamine
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N)N	CX0	[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
+CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)[C@H](Cc3c[nH]cn3)NC(=O)OCc4ccccc4	CX1	n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-l-tyrosine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(NCCS)O)O	CX2	2'-deoxy-5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}cytidine
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCC[N+]45CCN[Pt]4NCC5	CX3	[2-(3-{bis[2-(amino-kappan)ethyl]amino-kappan}propyl)-1h-benzo[de]isoquinoline-1,3(2h)-dionato(2-)]platinum(1+)
+c1cc2c(cc1Cl)ncnc2NCC3CC3	CX4	7-chloro-n-(cyclopropylmethyl)quinazolin-4-amine
+c1cc2c(cc1C(=O)N3CCCCC3)nccn2	CX5	piperidin-1-yl(quinoxalin-6-yl)methanone
+c1c2c(cc3c1OCCO3)O[C@@H]4CCCN4C2=O	CX6	2,3,6a,7,8,9-hexahydro-11h-[1,4]dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one
+C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O)C(C)C)C)(COC)O	CX7	cotylenol
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCN5[Pt]4NCC5	CX8	[2-{3-[(2-{[2-(amino-kappan)ethyl]amino-kappan}ethyl)amino-kappan]propyl}-1h-benzo[de]isoquinoline-1,3(2h)-dionato(3-)]platinum
+Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C	CX9	3,7-dimethyl-1-[3-(3-methyl-2,6-dioxo-9h-purin-1-yl)propyl]purine-2,6-dione
+c1ccc(cc1)C[C@@H](C(=O)O)NS(=O)(=O)N	CXA	phenylalanine-n-sulfonamide
+B(CNC(=O)/C(=N\OC)/c1csc(n1)N)(O)O	CXB	[(2-amino-alpha-methoxyimino-4-thiazolylacetyl)amino]methylboronic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)N	CXC	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1cc(c(c(c1CNC(=O)c2c(nc[nH]2)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl	CXD	4-chloranyl-n-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1h-imidazole-5-carboxamide
+CCCCCCCCCCOCCOCCOCCOCCOCCO	CXE	pentaethylene glycol monodecyl ether
+C1CCC(CC1)NC=O	CXF	cyclohexylformamide
+CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@@](CCC[N@](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O	CXG	methyl n-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
+c1cc(c(cc1NC(=O)CS)Cl)Cl	CXH	~{n}-(3,4-dichlorophenyl)-2-sulfanyl-ethanamide
+c1c(cc(cc1F)F)[C@@H](C(=O)O)O	CXJ	(2s)-(3,5-difluorophenyl)(hydroxy)acetic acid
+C1CCC(CC1)O	CXL	cyclohexanol
+CSCC[C@@H](C(=O)O)NC(=O)O	CXM	n-carboxymethionine
+Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O	CXN	cloxacillin
+C1CCC(=O)C(=O)C1	CXO	cyclohexane-1,2-dione
+C1CCC(CC1)CCC(=O)O	CXP	cyclohexane propionic acid
+CN1[C@@H]2CC[C@H]1CC(C2)OC(c3ccccc3)c4ccccc4	CXQ	benztropine
+[H]/N=C/1\c2c3n(cn2)C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(N1C=N3)O5)O)O)O)O)O)O	CXR	cyclic adenosine diphosphate-ribose
+C1CCC(CC1)NCCCS(=O)(=O)O	CXS	3-cyclohexyl-1-propylsulfonic acid
+CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@]3([C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(=O)O)C(=O)O)[C@H](C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O	CXT	carboxyatractyloside
+Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	CXU	cloxacillin (open form)
+Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	CXV	(2r,4s)-2-[(1s)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolid ine-4-carboxylic acid
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3O	CXW	2-({[2-({(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)ethyl]amino}methyl)phenol
+CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl	CXX	3-(3-chloro-5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine
+C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O)O)O	CXY	cytidine-5'-diphospho-beta-d-xylose
+c1cc2c(cc1NCCN3CCOCC3)c(no2)c4cc(c(cc4O)O)Cl	CXZ	4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol
+c1ccc(cc1)Nc2c3cc(ccc3ncn2)NC(=O)CCSC[C@@H](C(=O)O)N	CY0	s-{3-[(4-anilinoquinazolin-6-yl)amino]-3-oxopropyl}-l-cysteine
+CC(=O)NCSC[C@@H](C(=O)O)N	CY1	acetamidomethylcysteine
+C([C@@H](C(=O)N)N)S	CY3	2-amino-3-mercapto-propionamide
+CCCC(=O)SC[C@@H](C(=O)O)N	CY4	s-butyryl-cystein
+CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)c2cc(on2)C	CY6	n-((3s,6r)-6-((s,e)-4-ethoxycarbonyl-1-((s)-2-oxopyrrolidin-3-yl)but-3-en-2-ylcarbamoyl)-2,9-dimethyl-4-oxodec-8-en-3-yl)-5-methylisoxazole-3-carboxamide
+CCOc1cc2c(cc1NC(=O)C[C@@H](CN(C)C)SC[C@@H](C(=O)O)N)C(=Nc3ccc(c(c3)Cl)OCc4ccccn4)C(=CN2)C#N	CY7	s-{(1s)-3-{[(4z)-4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]imino}-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl]amino}-1-[(dimethylamino)methyl]-3-oxopropyl}-l-cysteine
+C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	CY8	cyclopamine
+C[C@H]1C\C=C\[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](\C=C\[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3Cc4ccccc4)C)O	CY9	(3s,3ar,4s,6s,6ar,7e,10s,12r,13e,15r,15ar)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1h-cycloundeca[d]isoindol-15-yl acetate
+O.O	CYA	two oxygen atoms bound to sg of cys
+CCC1=CC(=O)NC1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C	CYB	phycourobilin
+CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	CYC	phycocyanobilin
+C(CC(=O)CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	CYD	2-amino-6-(cystein-s-yl)-5-oxo-hexanoic acid
+Cn1cc2cc1C(=O)NCCCC(=O)NC3=C[NH+](C(=C3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)CCCN)C(=O)NCCCC(=O)Nc6cn(c(n6)C(=O)Nc7cc(n(c7)C)C(=O)N2)C)C	CYE	45-(3-aminopropyl)-5,11,22,28,34-pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,14,19,22,25,28,31,34,37,42,45,48-tetradecaaza-11-azoniaheptacyclo[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]dopentaconta-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaene
+c1cc(c(cc1NC(=O)CSC[C@@H](C(=O)N)N)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O	CYF	5-[2-(2-amino-2-carbamoyl-ethylsulfanyl)-acetylamino]-2-(3,6-dihydroxy-9,9a-dihydro-3h-xanthen-9-yl)-benzoic acid
+C(CC(=O)SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	CYG	2-amino-4-(amino-3-oxo-propylsulfanylcarbonyl)-butyric acid
+C1CCC(=O)CC1	CYH	cyclohexanone
+[C-]#[N+]C1CCCCC1	CYI	cyclohexyl isocyanide
+C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/CN1)CC(=O)O)CCC(=O)O	CYJ	(z)-n~6~-[(4r,5s)-5-(2-carboxyethyl)-4-(carboxymethyl)piperidin-3-ylidene]-l-lysine
+CCCCCC(=O)N[C@@H](CCS)C(=O)O	CYK	n-hexanoyl-l-homocysteine
+C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO	CYL	valienamine
+CSC[C@@H](C(=O)O)N	CYM	s-methylcysteine
+[C-]#N	CYN	cyanide ion
+O.O.O	CYO	oxygens bound to cys sg
+c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	CYP	9r,10r-9-glutathionyl-10-hydroxy-9,10-dihydro phenanthrene
+C([C@@H](C(=O)O)N)SCP(=O)(O)O	CYQ	2-amino-3-phosphonomethylsulfanyl-propionic acid
+C(C[C@@H](C(=O)O)N)CNC(=[NH2+])SC[C@@H](C(=O)O)N	CYR	n~5~-[{[(2r)-2-amino-2-carboxyethyl]sulfanyl}(iminio)methyl]-l-ornithinate
+C([C@@H](C(=O)O)N)S	CYS	cysteine
+C([C@@H](C(=O)[O-])[NH-])S	CYS_LEO2	l-cysteine c-terminal deprotonated fragment
+C([C@@H](C(=O)O)[NH-])S	CYS_LEO2H	l-cysteine c-terminal protonated fragment
+C([C@@H](C(=O)O)[NH-])[S-]	CYS_LEO2H_DHG	l-cysteine-c-terminal protonated fragment/with side chain deprotonated sg
+C([C@@H](C(=O)[O-])[NH-])[S-]	CYS_LEO2_DHG	l-cysteine-c-terminal deprotonated fragment/with side chain deprotonated sg
+C([C@@H](C(=O)O)N)S	CYS_LFOH	l-cysteine free neutral
+C([C@@H](C(=O)O)N)[S-]	CYS_LFOH_DHG	l-cysteine-free neutral/with side chain deprotonated sg
+C([C@@H](C(=O)[O-])[NH3+])S	CYS_LFZW	l-cysteine free zwitterion
+C([C@@H](C(=O)[O-])[NH3+])[S-]	CYS_LFZW_DHG	l-cysteine-free zwitterion/with side chain deprotonated sg
+C([C@@H]([C-]=O)[NH-])S	CYS_LL	l-cysteine - linking embedded fragment
+C([C@@H]([C-]=O)[NH-])[S-]	CYS_LL_DHG	l-cysteine-linking embedded fragment/with side chain deprotonated sg
+C([C@@H]([C-]=O)[NH3+])S	CYS_LSN3	l-cysteine n-terminal protonated fragment
+C([C@@H]([C-]=O)[NH3+])[S-]	CYS_LSN3_DHG	l-cysteine-n-terminal protonated fragment/with side chain deprotonated sg
+C1=C(NC(=O)N=C1)N	CYT	6-aminopyrimidin-2(1h)-one
+C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)\C=C(/C)\C(=C\C=C\C(=C/C#N)\C)\C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C\C=C\c3coc(n3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O	CYU	calyculin a
+CCOC(=O)CC[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C	CYV	ethyl (4r)-4-{[(2r,5s)-5-{[n-(tert-butoxycarbonyl)-l-seryl]amino}-6-methyl-2-(3-methylbut-2-en-1-yl)-4-oxoheptanoyl]amino}-5-[(3r)-2-oxopyrrolidin-3-yl]pentanoate
+C[C@H](C(=O)SC[C@@H](C(=O)O)N)O	CYW	s-[(2r)-2-hydroxypropanoyl]-l-cysteine
+C=C(CCP(=O)(O)O)C=O	CYX	(3-formyl-but-3-enyl)-phosphonic acid
+C1[C@H]([C@@H](C([C@@H]([C@H]1N)O)O)O)N	CYY	2-deoxystreptamine
+c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4	CYZ	cyclothiazide
+CC1=CC(=O)Oc2c1cc3ccc(c(c3c2)[N+](=O)[O-])O	CZ0	8-hydroxy-4-methyl-9-nitro-2h-benzo[g]chromen-2-one
+C([C@@H](C(=O)O)N)S[As](O)O	CZ2	s-(dihydroxyarsino)cysteine
+C[C@H]([C@@H](C(=O)N1CCC[C@H]1Cn2c(nnn2)Sc3ccccc3)NC(=O)[C@H](C)NC)OCC#CC#CCO[C@H](C)[C@@H](C(=O)N4CCC[C@H]4Cn5c(nnn5)Sc6ccccc6)NC(=O)[C@H](C)NC	CZ3	1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2s,3r)-2-[(n-methyl-l-alanyl)amino]-1-oxobutane-3,1-diyl}(2s)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1h-tetrazole]
+Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3ncc(c(n3)Nc4cn(nc4S(=O)(=O)C(C)C)C)Cl	CZ4	5-chloro-n~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-n~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1h-pyrazol-4-yl}pyrimidine-2,4-diamine
+CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cccn3	CZ5	6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{n}-pyridin-3-yl-pyridine-3-carboxamide
+B1(O[C@H](CC(O1)(C)C)C)CNC(=O)/C(=N\OC(C)(C)C(=O)O)/c2csc(n2)N	CZ6	2-[(~{z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{s})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid
+B(CNC(=O)[C@@H](c1ccc(cc1)O)NC(=O)N2C=CN(C(=O)C2=O)CC)(O)O	CZ7	({[(2r)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2h)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid
+B(CNC(=O)[C@@H](CCc1ccc(cc1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O	CZ8	({[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid
+B(CNC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O	CZ9	n-[(dihydroxyboranyl)methyl]-nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-d-tyrosinamide
+CC(=O)C1=C(N2[C@H](C1=O)[C@H]3c4c[nH]c5c4c(ccc5)C[C@H]3C2(C)C)O	CZA	(6ar,11as,11br)-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-11-one
+c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)Br)OO	CZB	(2s,8r)-8-benzyl-2-(4-bromobenzyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O	CZC	[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(oxidanylidene)-3~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
+[H]/N=C\CNC(=O)[C@@H]1Cc2ccc(c(c2)-c3cc(ccc3OCCN)[C@@H](C(=O)N[C@H](C(=O)N1)C)N(C)C(=O)[C@H](CCN)NC(=O)c4cnc(nc4C)c5ccc(cc5)C(C)(C)C)OCCN	CZD	(8s,11s,14s)-14-{[(2s)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-n-[(2z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide
+c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O	CZE	(2-{4-[(s)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O	CZF	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(oxidanylidene)-3~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3[nH]c4ccc(cc4n3)[N+](=O)[O-]	CZG	2-[(5-nitro-1h-benzimidazol-2-yl)sulfanyl]-n-(4-phenoxyphenyl)acetamide
+c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O	CZH	c2-hydroperoxy-coelenterazine
+c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)I)OO	CZI	(2r)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(4-iodobenzyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one
+Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)C34CC5CC(C3)CC(C5)C4)O[C@H]6[C@@H]([C@@H]([C@H](C(O6)(C)C)OC)OC(=O)N)O	CZJ	(3s,5s,7s)-n-{7-[(3-o-carbamoyl-6-deoxy-5-methyl-4-o-methyl-beta-d-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2h-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+COc1ccc(cc1OC2CCCC2)c3ccn(n3)C[C@H](CN4CCOCC4)O	CZK	(2~{s})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
+S1[Fe]234[S@H]5[Fe]2678[Fe]592[S@H]3[Fe]493(S26)S[Fe]3234[Fe]1156[Fe]722(S8)[S@@H]1[Fe]5([S@@H]63)S24	CZL	l-cluster (fe8s9)
+Cc1cccc(c1O)\C=N\c2ccccc2/N=C/c3cccc(c3O)C	CZM	'n,n'-bis-(2-hydroxy-3-methyl-benzylidene)-benzene-1,2-diamine'
+c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc6ccccc6c5)OO	CZN	(2s,8r)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(2-naphthylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one
+C[C@H]([C@@H]([C@]1(N[C@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)O)N)O	CZO	[(2r,4s)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
+c1cc(ccc1C[C@@]2(C(=O)N3C=C(NC(C3=N2)CC4CCCC4)c5ccc(cc5)O)OO)O	CZP	(8r)-8-(cyclopentylmethyl)-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h) -one
+C[C@@H]1CN(C[C@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC(F)F	CZQ	2-[(~{e})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{r},6~{r})-2,6-dimethylmorpholin-4-yl]ethanone
+c1cc2c(cc1Cl)sc(n2)C[C@@H](C(=O)O)N	CZS	3-(6-chloro-1,3-benzothiazol-2-yl)-l-alanine
+C[C@@H]1CN(C[C@@H](O1)C)C[C@H](CO/N=C/c2ccc(c(c2)OC3CCCC3)OC)O	CZT	(2~{r})-1-[(~{e})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]propan-2-ol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CNC2=O	CZU	[[(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{h}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1cc(ccc1C2(CC2)Nc3c4cn[nH]c4nc(n3)Cl)C(F)(F)F	CZV	6-chloro-n-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1cccc(c1C)[C@H](C)c2c[nH]cn2	CZX	4-[(1~{s})-1-(2,3-dimethylphenyl)ethyl]-1~{h}-imidazole
+C[C@H](c1ccc(cc1)C(F)(F)F)Nc2c3cnn(c3nc(n2)Cl)C	CZY	6-chloro-1-methyl-n-{(1r)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C([C@@H](C(=O)O)N)S[As]O	CZZ	thiarsahydroxy-cysteine
+CCNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	D00	2'-deoxy-n-ethylcytidine 5'-(dihydrogen phosphate)
+c1cc2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl)[n+](c1)[O-]	D01	2-({4-[(5-chloro-1h-indol-2-yl)sulfonyl]piperazin-1-yl}carbonyl)thieno[3,2-b]pyridine 4-oxide
+COC(=O)c1cn(nn1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F	D02	methyl 1-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)-1h-1,2,3-triazole-4-carboxylate
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](C(=O)NCc3ccccc3)O)NC(=O)/C=C/c4ccccc4	D03	(s)-n-benzyl-3-((s)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((s)-2-oxopyrrolidin-3-yl)butanamide
+c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C3CCCCC3	D04	4-(4-cyclohexyl-1h-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide
+CCc1c2c(n(n1)c3c(cc(cc3Cl)Cl)Cl)N=C(NC2=O)Cc4ccc(c(c4)O)O	D05	6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4(5h)-one
+CNc1c2cnn(c2nc(n1)Cl)C	D07	6-chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+COc1ccc(cc1OC2CCCC2)C3=NO[C@H](C3)CC(=O)N(CCO)CCO	D08	2-[(5~{r})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{n},~{n}-bis(2-hydroxyethyl)ethanamide
+C/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D09	5-[(1e)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+c1cc(nc(c1)C(F)(F)F)c2nc3c(cc[nH]3)c(n2)Nc4ccncc4F	D0A	n-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+C[C@@H]1CN(C[C@H](O1)C)C(=O)CCn2ccc(n2)c3ccc(c(c3)OC4CCCC4)OC	D0B	3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{r},6~{r})-2,6-dimethylmorpholin-4-yl]propan-1-one
+c1cc(ccc1C[C@H](C(=O)O)N)Cl	D0C	4-chloro-d-phenylalanine
+COc1ccc(cc1OC2CCCC2)c3ccn(n3)CCC(=O)N4CCOCC4	D0E	3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3	D0F	(2s)-2-[[(2s)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
+CC[C@H](C)CCCCCCCCCCCCC(=O)O	D0G	(14s)-14-methylhexadecanoic acid
+CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccc(c2)C)Nc3cccc(c3)C	D0H	6-(ethylcarbamoylamino)-~{n}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide
+COCc1cn(nn1)CCCCCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	D0J	(2r,3r,4r,5s)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1h-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol
+CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)Nc3ccc(cc3)OC	D0K	6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{n}-pyridin-3-yl-pyridine-3-carboxamide
+CCCCCCCN1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O	D0L	(2s)-2-[[(2s)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
+CCC(CC)N	D0M	pentan-3-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2F)O)O)CO)O)O)O)O	D0N	(2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(2~{r},3~{r},4~{r},5~{s},6~{s})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan-  3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)C)C)C	D0O	(4~{r})-4-[(3~{r},5~{r},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoic acid
+c1cc(c(cc1c2ccc(cc2F)F)NC(=O)CS)O	D0P	n-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide
+Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N	D0Q	5-methyl-l-tryptophan
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)N)O	D0R	n-[(2s,4s,5s)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-valinamide
+CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)N2CC(C2)O)c3cnn4c3nc(cc4)c5cccs5	D0S	n-[(2s)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide
+CN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	D0T	(2s)-2-(3-hydroxy-3-oxopropyl)-6-[[methyl-[[2-[(phenylmethyl)carbamoyl]phenyl]methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1cc(c(cc1N)S)C(=O)O	D0U	4-azanyl-2-sulfanyl-benzoic acid
+c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)O)Cl	D0V	(2r)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one
+CC(=O)N[C@@H](CC(=O)O)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O	D0W	sampatrilat-asp
+CC(C)C12=C3[Ru]1456(C2=C4C5(=C63)C)([P]78CN9CN(C7)CN(C9)C8)(Cl)Cl	D0X	[ru(eta(6)-p-cymene)cl-2(pta)
+c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3cccc(c3)Nc4ccc(cc4)F)c5ccsc5)O)Cl	D0Y	(6r)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one
+CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O	D0Z	sampatrilat
+CCCCCCCCCC	D10	decane
+C[C@@H]([C@H](C(=O)O)N)OP(=O)(O)O	D11	d-phosphothreonine
+CCCCCCCCCCCC	D12	dodecane
+C[S@@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)I	D13	4-[5-(3-iodo-phenyl)-2-(4-methanesulfinyl-phenyl)-1h-imidazol-4-yl]-pyridine
+C[N@@]1Cc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4cc5ccc(cc5cn4)Cl)C(=O)N(C)C)C1	D14	7-chloro-n-[(1s,2r,4s)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4h-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide
+c1ccc(cc1)C(=O)Nc2c3cc(ccc3[nH]n2)NC(=O)[C@@H](CCN)c4cccc(c4)Cl	D15	n-(5-{[(2s)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1h-indazol-3-yl)benzamide
+CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	D16	tomudex
+c1cc(cc(c1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNc2ccc(cc2)\C=C/3\C(=O)NC(=S)S3	D17	n-({3-[({4-[(z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-l-glutamic acid
+CC(C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(C)C)N	D18	2,5-bis{[4-(n-isopropyl)diaminomethyl]phenyl}furan
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CC4)C(N)NC5CC5	D19	2,5-bis{[4-(n-cyclopropyldiaminomethyl)phenyl]}furan
+[H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-]	D1A	n-[4-[(e)-n-carbamimidamido-c-methyl-carbonimidoyl]phenyl]-7-nitro-1h-indole-2-carboxamide
+[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)C(=N)N)\N	D1B	2-(5-{4-[amino(imino)methyl]phenyl}-2-thienyl)-1h-benzimidazole-6- carboximidamide dihydrochloride
+c1cc(ccc1CNS(=O)(=O)NC[C@@H](Cc2cc(c(cc2F)F)F)N)S(=O)(=O)N	D1C	4-[({[(2r)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide
+C1[C@H]([C@@H](CSS1)O)O	D1D	(4s,5s)-1,2-dithiane-4,5-diol
+CCCCCC#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	D1F	1-(beta-d-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
+CN(C)Cc1ccc(o1)c2cccnc2	D1G	n,n-dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine
+Cn1cnc2c1C(=O)N(C(=O)N2C)CCN3C(=O)c4c(ncn4C)N(C3=O)C	D1H	1,1'-ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione)
+CCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	D1I	3-(beta-d-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3h)-one
+CCCC#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	D1J	1-(beta-d-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
+CCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	D1K	3-(beta-d-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3h)-one
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl	D1L	2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid
+C#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	D1M	5-ethynyl-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)ccc(c2O)O	D1N	naphthalene-1,2-diol
+C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O	D1P	2'-deoxy-ribofuranose-5'-phosphate
+CC(C)[N@@]1CCc2c(sc(n2)C(=O)Nc3cc(ccc3CCC(=O)Nc4ccc(cc4)Cl)C(=O)O)C1	D1Q	4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid
+CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)c4ccccc4	D1R	nalpha-[(4-methylpiperazin-1-yl)carbonyl]-n-{(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-l-phenylalaninamide
+C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC	D1S	(4e,6z,8s,9s,10e,12s,13r,14s,16r)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
+CCCCCCCCCCS	D1T	decane-1-thiol
+CC1(Cc2c(c(nn2c3ccc(c(c3)NCCSC)C(=O)N)C(F)(F)F)C(=O)C1)C	D1U	4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]-2-{[2-(methylsulfanyl)ethyl]amino}benzamide
+c1ccc2c(c1)C(=O)NC(=N2)S	D1V	2-mercapto(3h)quinazolinone
+CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4	D1W	6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{n}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine
+C1C(=CC(=O)NC1=O)C(=O)O	D1X	2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid
+c1cc(c(cc1O)Cl)C(=O)C=C(C(=O)O)O	D1Y	(2z)-4-(2-chloro-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+CN(C)Cc1cccc(c1)Nc2ccc(nc2OC)c3cccc4c3O[C@@H](CO4)CNC(=O)C5CCOCC5	D1Z	~{n}-[[(3~{r})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide
+COCCNC(=N)NCCC[C@@H](C(=O)O)N	D20	n~5~-{imino[(2-methoxyethyl)amino]methyl}-l-ornithine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC	D21	(2r)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9z)-octadec-9-enoate
+CCCCCCCCNCCCCCCCC	D22	n-octyloctan-1-amine
+CC(C)(C)Nc1c2cc(ccc2nc(n1)C(F)(F)F)c3cccc(c3)N	D23	6-(3-aminophenyl)-n-(tert-butyl)-2-(trifluoromethyl)quinazolin-4-amine
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4C=CC=C4)C(N)NC5C=CC=C5	D24	2,5-bis-[4-[cyclopenta-1,3-dien-5-ylamino-1-aminomethyl]-phen-1-yl]furan
+c1ccc(cc1)c2cc(on2)c3cc[nH]n3	D25	3-phenyl-5-(1h-pyrazol-3-yl)isoxazole
+c1ccc(cc1)c2ncc(s2)c3cc[nH]n3	D26	phenyl-5-(1h-pyrazol-3-yl)-1,3-thiazole
+COc1ccc(cc1OC)\C=C\C(=O)Nc2ccccc2C(=O)O	D27	2-{[(2e)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid
+Cc1cc(ccc1F)c2csc(n2)Nc3ccc(c(c3)O)C(=O)O	D28	4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
+c1c(cc(cc1C(F)(F)F)S(=O)/C=C/CC/N=C\S)C(F)(F)F	D29	(z)-{[(3e)-4-{(r)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol
+[H]/N=C(\c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)C(=N)N)/N	D2A	2-(4'-amidinobiphenyl-4-yl)-1h-benzimidazole-5-amidine
+CC(C)/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D2B	5-[(1z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(C3C([C@@H]2C(=O)C(C1=O)C(=O)N)O)O)O)Cl)O	D2C	(2s,4s,4ar,5as,6s,11r,11as,12r,12ar)-7-chloro-4-(dimethylamino)-6,10,11,12-tetrahydroxy-1,3-dioxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracene-2-carboxamide
+CC(C)C/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D2D	5-[(1e)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+COc1ccccc1/C(=C/c2coc3c2c(nc(n3)N)N)/C4CC4	D2E	5-[(e)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine
+CCCC/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D2F	5-[(1e)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+CNCc1ccc(o1)c2cccnc2	D2G	n-methyl(5-(pyridin-3-yl)furan-2-yl)methanamine
+CC[C@@H](C)/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D2H	5-[(1e,3r)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCCCCC(=O)O	D2J	6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoic acid
+CCOC(=O)CCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC	D2K	ethyl 4-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}butanoate
+CCC[C@H](CC)C[C@H]1C[C@H](C[C@H](N1CC=O)C)CCS(=O)(=O)O[C@H](CC)CC[C@H](C)CC	D2L	[(3r,6r)-6-methyloctan-3-yl] 2-[(2s,4s,6r)-2-[(2s)-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate
+COc1cccc(c1Oc2cc(c(c(c2)OC)O)OC)OC	D2M	4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol
+CCOC(=O)CCCCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC	D2N	ethyl 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoate
+Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCc4ccccc4	D2O	6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
+C([C@@H](CCl)Cl)O	D2P	(2s)-2,3-dichloropropan-1-ol
+CCOC(=O)CCCCOc1ccc(cc1Cc2cnc3c(c2C)c(nc(n3)N)N)OC	D2Q	ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate
+Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3C#CCCCC(=O)O)OC	D2R	6-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl}hex-5-ynoic acid
+c1cc(c(cc1O)O)SSc2ccc(cc2O)O	D2S	4,4'-disulfanediyldibenzene-1,3-diol
+CS[C@H]([C@@H](C(=O)O)N)C(=O)O	D2T	(3r)-3-(methylsulfanyl)-l-aspartic acid
+Cc1cc(cc(c1)C(=O)N(C)[C@H](Cc2ccc(cc2)c3ccccc3)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C	D2U	(2~{s})-2-[[(2~{r})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{h}-indol-3-yl)propanoic acid
+CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C	D2V	(3s,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraen-3-ol
+CN(C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3cccc(c3O2)c4cccc(n4)OC	D2W	4-[2-(dimethylamino)ethoxy]-~{n}-[[(3~{r})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
+Cc1c(sc[n+]1Cc2cnc(nc2O)C)CCO[P@@](=O)(O)OP(=O)(O)O	D2X	3-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC)CO)O	D2Y	methyl 2-acetamido-4-o-{2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl}-2-deoxy-beta-d-glucopyranoside
+C[NH+](C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3ccccc3O2	D2Z	2-[4-[[(3~{r})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium
+c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	D3	1-(2-deoxy-beta-d-ribofuranosyl)-4-(3-benzamido)phenylimidazole
+CCC#CCOc1cc(ccc1Sc2ccc(c3c2CCCC3)OCC(=O)O)COc4ccc(cc4)C(F)(F)F	D30	[(4-{[2-(pent-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid
+c1cc-2c(c(c1)NC(=O)CN3CCC(CC3)CN)C(=O)c4c2n[nH]c4C5CCCCC5	D31	2-(4-(aminomethyl)piperidin-1-yl)-n-(3_cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)acetamide
+Cc1c(c(ccc1OCC(=O)O)Sc2ccc(cc2OCC#C)COc3ccc(cc3)C(F)(F)F)C	D32	(2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid
+c1cn(cn1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	D33	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazole
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CCC4)C(N)NC5CCC5	D34	2,5-bis{[4-(n-cyclobutyldiaminomethyl)phenyl]}furan
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CCCCC4)C(N)NC5CCCCC5	D35	2,5-bis{[4-(n-cyclohexyldiaminomethyl)phenyl]}furan
+CS(=O)(=O)N(CCN)c1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4	D36	n-(2-aminoethyl)-n-{5-[(1-cycloheptyl-1h-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide
+CS(=O)(=O)Nc1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4	D37	n-{5-[(1-cycloheptyl-1h-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide
+CC(C)[C@H](Cc1cn(nn1)Cc2ccc(cc2)C(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O	D38	n~2~-[(2s)-2-{[1-(4-carboxybenzyl)-1h-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-l-lysine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC	D39	(2~{s})-2-azanyl-3-[[(2~{r})-3-hexadecanoyloxy-2-[(~{z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid
+COc1cccc(c1OC)[C@@H]2c3cc(ccc3-n4cccc4[C@H](O2)CC(=O)N5CCC(CC5)CC(=O)O)Cl	D3A	(1-{[(4r,6s)-8-chloro-6-(2,3-dimethoxyphenyl)-4h,6h-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid
+Cc1ccc(c(c1)NC(=O)Nc2cc(ccc2O)S(=O)(=O)N)C	D3B	1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
+c1cc(n2c1CN(CC2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F	D3C	n-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1h)-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC/C=C/CCCCCCCC	D3D	(19s,22r,25r)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9e)-octadec-9-enoate
+C[C@](c1ccc(cc1)C(=O)N(C2CCC(CC2)c3cccnc3)C4CC4)(C(F)(F)F)O	D3E	n-cyclopropyl-n-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
+Cc1cc(c(cc1Cl)Cl)S(=O)(=O)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]	D3F	2-[(2,4-dichloro-5-methylphenyl)sulfonyl]-1,3-dinitro-5-(trifluoromethyl)benzene
+c1cc(cnc1)c2ccc(o2)CN	D3G	(5-(pyridin-3-yl)furan-2-yl)methanamine
+c1cc(ccc1N)NC(=O)CN	D3H	~{n}-(4-aminophenyl)-2-azanyl-ethanamide
+c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccsc3)c4cccc(n4)Oc5ccc(cc5)F)O)Cl	D3J	(2r)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one
+COCCOc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3	D3K	(2~{r})-2-[(~{r})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine
+COc1ccc2c(c1)cc([nH]2)C(=O)c3ccccc3	D3L	(5-methoxy-1h-indol-2-yl)-phenyl-methanone
+COc1c(ccc(c1C(=O)O)Cl)Cl	D3M	3,6-dichloro-2-methoxybenzoic acid
+c1cc2cccc3c2c(c1)NC(=O)N3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	D3N	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-perimidin-2(3h)-one
+[2H][O+]([2H])[2H]	D3O	trideuteriooxidanium
+c1c(cc(cc1O)O)[C@H](C(=O)O)N	D3P	(2r)-amino(3,5-dihydroxyphenyl)acetic acid
+COc1cccc(c1)[C@@H](c2ccccc2)[C@H]3CCCN3	D3Q	(2~{r})-2-[(~{r})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine
+CC(C)(C)OC(=O)N1CC[C@]2([C@H]1c3cccc(c3)c4ccc(c(c4)S(=O)(=O)C)CO)c5ccccc5NC2=O	D3R	~{tert}-butyl (2'~{r},3~{r})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate
+c1ccc(cc1)[C@@]2(CC(=C(C(=O)O2)Sc3ccccc3Cl)O)c4ccccc4O	D3S	(6s)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2h-pyran-2-one
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	D3T	2',3'-dideoxy-thymidine-5'-triphosphate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34N2C=C[C@H]4c5ccccc5)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O	D3U	2-pcpa derivative
+CC(C)CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O	D3V	 1a,20s-dihydroxyvitamin d3
+COc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3	D3W	(2~{r})-2-[(~{r})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine
+COc1ccc(cc1)S(=O)(=O)N(CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC(=O)NO	D3X	n-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}ethyl)amino}acetamide
+c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O	D3Y	3'-deoxy-3'-(d-tyrosylamino)adenosine
+C[C@H]1[C@H]([C@@H]([C@H](O1)N2C=CC(=O)NC2=O)O)O	D3Z	1-(5-deoxy-beta-l-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione
+CC(C)(C)OC(=O)N1CC[C@@]2([C@@H]1c3ccccc3)c4ccccc4NC2=O	D40	~{tert}-butyl (2'~{s},3~{s})-2-oxidanylidene-2'-phenyl-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate
+CC(C)(C)c1nc(c2cc(c(nc2n1)N)C(=O)N)c3ccc[nH]3	D41	7-amino-2-tert-butyl-4-(1h-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
+Cc1c(sc(n1)C)c2c3c(n[nH]2)-c4cccc(c4C3=O)NC(=O)NN5CCN(CC5)C	D42	1-(3-(2,4-dimethylthiazol-5-yl)-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea
+CC(C)[C@H]1[C@]2(CCN1C(=O)OC(C)(C)C)c3ccccc3NC2=O	D43	~{tert}-butyl (2'~{s},3~{s})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate
+CCc1ccccc1NC(=O)CSc2[nH]c3c(n2)cccn3	D44	n-(2-ethylphenyl)-2-(3h-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
+CN1CNS(=O)(=O)c2c1cc(cc2)CCc3ccc4c(c3)N(CNS4(=O)=O)C	D45	6,6'-(ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide)
+C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3CNC(=O)c4ccc(s4)Cl)C1	D46	n-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
+c1ccc(c(c1)S[C@H]2C(=O)C[C@](NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)Cl	D47	(3s,6s)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione
+c1ccc2cc(c(cc2c1)O)O	D48	naphthalene-2,3-diol
+c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)O)OCC[C@H](COc4ccc(cc4)c5[nH]c6ccc(cc6n5)C(=O)O)O	D49	2-[4-[(2~{r})-4-[4-(6-carboxy-1~{h}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{h}-benzimidazole-5-carboxylic acid
+c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)O)Cl	D4A	(6r)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	D4B	[(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)OP(=O)(O)O	D4D	2',3'-dehydro-2',3'-deoxy-thymidine 5'-diphosphate
+c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	D4F	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4s)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
+c1cnccc1SSc2ccncc2	D4G	4,4'-dipyridyl disulfide
+Cc1cccc(c1)[C@H](c2ccccc2)[C@H]3CCCN3	D4H	(2~{r})-2-[(~{s})-(3-methylphenyl)-phenyl-methyl]pyrrolidine
+CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@@H]([C@@H](O[C@H]5[C@H]4O[C@@](OC5)(C)C(=O)O)OC)NC(=O)C)CO)O	D4I	methyl 2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-d-glucopyranosyl-(1->3)-2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranoside
+c1ccc(c(c1)SC2=C(C[C@](NC2=O)(c3ccsc3)c4cccc(n4)Oc5ccc(cc5)F)O)Cl	D4J	(2s)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one
+COc1cccc(c1)[C@H](c2ccccc2)[C@H]3CCCN3	D4K	(2~{r})-2-[(~{s})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine
+Cc1ccc2c(c1)nc(c(n2)C)c3cc4nc(cc(n4n3)NC5CCOCC5)N6CCCC6	D4L	2-(3,7-dimethylquinoxalin-2-yl)-~{n}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine
+CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(O)O	D4M	[(5r)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
+C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)[C@@](C)(C(F)(F)F)O)CC3(CC3)C(=O)N	D4N	1-{[(3r)-3-methyl-4-({4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide
+C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	D4O	(3~{s})-3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+c1cc(ccc1[C@@H](C(=O)O)N)O	D4P	(2s)-amino(4-hydroxyphenyl)acetic acid
+c1cc(cc(c1)F)c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N	D4Q	2-(3-fluorophenyl)-4-[[(3~{s})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
+CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=CC=C3[C@H]1C5)OC)OC	D4R	(4r,7ar,12bs)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline
+c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3cccc(c3)N)c4ccsc4)O)Cl	D4S	(6r)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one
+CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	D4T	2',3'-dehydro-2',3'-deoxy-thymidine 5'-triphosphate
+c1c(cc(c2c1C[C@@H](OC2=O)CC3CCCCC3)O)O	D4U	(3~{s})-3-(cyclohexylmethyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+Cc1cccnc1O	D4V	3-methylpyridin-2-ol
+c1ccc(c(c1)n2c(ccn2)c3ccc(cc3O)O)Cl	D4W	4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol
+C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)N2)O)O	D4X	(3~{s})-3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{h}-isoquinolin-1-one
+c1cc2c(cc1F)[C@@H](C(=O)N2)O	D4Y	(3s)-5-fluoro-3-hydroxy-1,3-dihydro-2h-indol-2-one
+c1ccc(cc1)c2cc3c(ccc(c3[nH]2)C(=O)N)N[C@H]4CCCNC4	D4Z	2-phenyl-4-[[(3~{s})-piperidin-3-yl]amino]-1~{h}-indole-7-carboxamide
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OCc2ccccc2)N)O	D50	n-{(2s,3r)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-l-leucine
+Cc1cc2c(cc1C)N3[C@@](CC([C@@]34[C@H](N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8)(C)N	D51	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(1r,3s,3as,7as)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+Cc1cc2c(cc1C)N(C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@@](CCc7ccccc7)(c8ccccc8)N	D52	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4s)-5-[5-[(1s)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4ah-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+c1ccc(cc1)CNCCS(=O)(=O)O	D53	2-(benzylamino)ethanesulfonic acid
+C([C@@H]([C@H](C=O)O)O)C(=O)C(=O)O	D54	4-deoxy-l-threo-hex-5-ulosuronic acid
+CCOc1ccc(c(c1)NC(=O)c2cc(c(c(c2)C)OCCN)C)OCC	D55	4-(2-aminoethoxy)-n-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide
+CCOc1c(cc(cc1Cl)N2CCCCC2)NC(=O)c3cc(c(c(c3)C)OCCN)C	D56	4-(2-aminoethoxy)-n-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
+COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)C(=O)OC)O)O	D57	dimethyl 2-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate
+C[C@@H]1[C@H](CCCN1)Nc2c3cc(sc3c(cn2)C(=O)N)c4ccccc4	D58	4-[[(2~{r},3~{s})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide
+Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2cc(cc(c2)Cl)Cl	D59	n-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
+c1cc2cc3cccc(c3cc2c(c1)C[NH3+])C[NH3+]	D5B	[8-(azaniumylmethyl)anthracen-1-yl]methylazanium
+c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N	D5C	n-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)N	D5E	paromamine
+C[C@H]1CCC[C@@H](C1)CC2=Cc3cc(cc(c3C(=O)O2)O)O	D5F	3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one
+CC(C)C[C@@H](C(=O)N[C@H]1C[C@H](OC1)O)NC(=S)Nc2ccccc2	D5G	(2s)-4-methyl-2-(3-phenylthioureido)-n-((3s)-tetrahydro-2-hydroxy-3-furanyl)pentanamide
+COc1cccc(c1)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O	D5H	2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
+c1cnccc1C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3	D5I	n'-(1-adamantylcarbonyl)pyridine-4-carbohydrazide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	D5M	2'-deoxyadenosine-5'-monophosphate
+c1cc(c(cc1c2ccnn2C[C@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F	D5N	(2~{s})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
+c1c(cc(c2c1C=C(OC2=O)CC3CCCCC3)O)O	D5O	3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one
+Cn1cc(cc1C(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)c5cc(ccc5OC)OC	D5Q	4-(2,5-dimethoxyphenyl)-n-(4-(5-(4-fluorphenyl)-2-(methylthio)-1h-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1h-pyrrole-2-carboxamide
+CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C(=N3)c5ccc(c(c5)OC)OC)C	D5T	1-[2-[4-[(4~{a}~{s},8~{a}~{r})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione
+COc1ccccc1C(=O)CCc2ccccc2C(=O)O	D5U	2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]benzoic acid
+c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O	D5V	(1s,2s,3s,4r,5r)-2-amino-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+[H]/N=C\c1nccc(n1)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](c2cc(cc(c2)Cl)Cl)N(C)C	D5W	(2~{s},3~{s})-2-[[(2~{s})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{n}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide
+CC(=O)C([C@H](COP(=O)(O)O)O)(O)O	D5X	(2s)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate
+COC(=O)[C@H](CN1C=C(C(=O)NC1=O)Br)N	D5Y	methyl 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alaninate
+COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)c5c6ccccc6nc(n5)N	D5Z	(4as,8ar)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
+Cn1cc(cn1)c2ccc(c(c2)CCC(=O)c3c(cc(cc3F)c4c[nH]nc4)F)C(=O)O	D60	2-[3-[2,6-bis(fluoranyl)-4-(1~{h}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid
+c1ccc2cc(ccc2c1)CCCCCNC(=O)[C@@H]([C@H](C(=O)O)OCC(=O)O)OCCCCCc3ccc4ccccc4c3	D61	(2r,3r)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid
+COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)c5c6ccsc6nc(n5)N	D62	(4as,8ar)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
+[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3ccc(cc3)c4ccc(cc4)C(=O)N)/N	D63	4'-(5-carbamimidoyl-1h-benzimidazol-2-yl)biphenyl-4-carboxamide
+Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N	D64	6-(4-methylphenyl)quinazoline-2,4-diamine
+Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F	D65	2-(1,1-difluoroethyl)-5-methyl-n-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OC)N)O	D66	n-[(2s,3r)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-l-leucine
+Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)C(F)(F)F	D67	2-(1,1-difluoroethyl)-5-methyl-n-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C(=N3)c5ccc(c(c5)OC(F)F)OC(F)F)C	D68	 1-(2-{4-[(4as,8ar)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione
+[H]/N=C(\Cc1ccccc1)/C[C@@H](c2ccccc2)[C@]34[C@@H](NC(=O)NC3=O)N(c5cc(c(cc5N4)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O	D69	[[(2r,3s,4s)-5-[(4as,10as)-4a-[(1s)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1h-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1cc(ccc1c2nc(on2)[C@H]3C[C@H](CN3)O)C(F)(F)F	D6A	(3r,5r)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol
+CC(=O)O[C@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC	D6C	[(2~{s},3~{r})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
+C1C[C@H](N(C1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O)CO	D6D	(1s,2s,3s,4r,5r)-2-amino-4-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol
+CC(C)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	D6E	(2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid
+CC[n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+](cc4)CC)c5ccc(cc5)c6cc[n+](cc6)CC	D6F	4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O	D6G	2-deoxy-6-o-phosphono-alpha-d-glucopyranose
+CN(C)CCCOc1ccc(nc1)Nc2cc(ncn2)n3cnc4c3cccc4	D6I	6-(benzimidazol-1-yl)-n-[5-[3-(dimethylamino)propoxy]pyridin-2-yl]pyrimidin-4-amine
+CC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3	D6J	(2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2r)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide
+C[C@@H]1C[C@H](OC(O1)(C)C)O	D6K	(4~{s},6~{r})-2,2,6-trimethyl-1,3-dioxan-4-ol
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	D6M	n-hexadecanoyl-l-glutamic acid
+C12345[Fe]6[S]7[Fe]18[N][Fe]29[S]1[Fe]3[S]2[Fe]1[S]9[Fe]42S[Fe]51[S]6[V]7[S]81	D6N	fev
+C(=C\C(=O)O)\C(=O)NC=O	D6O	(~{z})-4-formamido-4-oxidanylidene-but-2-enoic acid
+C(CO)[C@H]([C@@H]([C@@H](\C=C\P(=O)(O)O)O)O)O	D6P	(3,4,5,7-tetrahydroxy-hept-1-enyl)-phosphonic acid
+c1cc(c(c2c1N(C(=O)C23CCN(CC3)C(=O)c4cc5cn[nH]c5nc4)CC(=O)NCC(F)(F)F)F)F	D6Q	2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{h}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
+CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OC	D6R	6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
+CN(Cc1ccccc1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O	D6S	(1s,2s,3s,4r,5r)-2-amino-4-[benzyl(methyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
+CCC(=O)c1ccc(cc1NC(=O)c2ccc3ccccc3n2)c4cn(nn4)c5ccc(cc5)CCN6CCc7cc(c(cc7C6)OCCOCCOCCOC)OC	D6T	~{n}-[5-[1-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1~{h}-isoquinolin-2-yl]ethyl]phenyl]-1,2,3-triazol-4-yl]-2-propanoyl-phenyl]quinoline-2-carboxamide
+CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OCc5ccccn5	D6U	16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
+c1ccc2c(c1)[nH]c(n2)[C@H]3CCNC3	D6V	2-[(3s)-pyrrolidin-3-yl]-1h-benzimidazole
+CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc4c(c3)c[nH]n4)c5ccccc5	D6W	2-[8-(2~{h}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{n}-methyl-ethanamide
+Cc1cc(n2c(n1)nc(n2)CCNc3ccc4ccccc4n3)C	D6X	n-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
+CC(C)(C)c1cc(no1)CC2(COC2)N	D6Y	3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
+c1cc2c(c(c1)Br)C3(CCN(CC3)C(=O)c4ccc5c(n4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F	D6Z	2-[4-bromanyl-2-oxidanylidene-1'-(1~{h}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
+CCC(=N)C[C@@H](c1ccccc1)[C@]23[C@@H](NC(=O)NC2=O)N(c4cc(c(cc4N3)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O	D70	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4as,10as)-4a-[(1s,3e)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate
+c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4	D71	1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione
+CC(C)COc1c(cc2c(c1Cl)O[C@H](C(=C2)C(=O)O)C(F)(F)F)Cl	D72	(2r)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid
+[H]/N=C(\C)/C[C@@H](c1ccccc1)[C@@]23C(=O)NC(=O)N=C2N(c4cc(c(cc4N3)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O	D73	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4as)-4a-[(1s,3e)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate
+Cc1cccc(c1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O	D74	(1r,2s,3r,4r)-3-amino-4-(3-methylphenyl)cyclopentane-1,2-diol
+c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O	D75	daidzein-7-o-glucuronide
+C[N@@]1CCc2c(sc(n2)C(=O)N3CC[N@](C[C@@H]3C(=O)N)S(=O)(=O)c4ccc5cc(ccc5c4)Cl)C1	D76	(2r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperaz ine-2-carboxamide
+C[C@@]([C@H](C(=O)OC)O)([C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)O)C5=O)O)O)O	D77	methyl (2r,3r)-2,3-dihydroxy-3-[(1as,11s,11ar,14z,18r)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11ah-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)OC	D78	(5s)-n-[(1s,2r)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif luoromethyl)phenyl]-5-oxazolidinecarboxamide
+Cc1cc(n2c(n1)nc(n2)CCc3cc(n4c(n3)c5cccnc5n4)O)C	D79	4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol
+COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N	D7A	n-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
+CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)C5=CCNCC5	D7B	(s)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2h)-yl)ethanone
+Cc1cc(n2c(n1)nc(n2)CC(=O)N3c4nc5ccccc5n4C[C@@H]3C)C	D7C	2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2s)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone
+CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2	D7D	n-{cis-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide
+CCn1c2cc(ccc2nc1[C@@H](C)NS(=O)(=O)c3ccc(cc3)Cl)C(F)(F)F	D7E	4-chloro-n-[(1r)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
+CCN(CC)CCOc1ccc2c(c1)C=C3c4c(ccc(c4O2)OC)C(=O)N3C	D7F	6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC2CC2)NC(=O)OCCOCCOC	D7G	((1s)-1-((((1s)-1-benzyl-3-(cyclopropylamino)-2,3-dioxopropyl)amino)carbonyl)-3-methylbutyl)carbamic acid 5-methoxy-3-oxapentyl ester
+CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)c5cnc(nc5)C(=O)N	D7H	(s)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide
+c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OCCOc2cc(c(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	D7I	5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate
+CC(C)N[C@@H](CSC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc2cccnc2	D7J	tert-butyl [(2s)-1-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O	D7K	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(s)-hydroxy[(r)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)O	D7L	6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
+CC(C)(C)OC(=O)NCCSC[C@@H](C(=O)NCc1cccnc1)NC2CCCC2	D7M	tert-butyl (2-{[(2r)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate
+c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F	D7N	2-[1-(4,4-difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1h-isoindole-4-carboxamide
+c1ccc(cc1)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N	D7P	d-phenylalanyl-n~5~-[(2,2-dihydroxyhydrazino)(imino)methyl]-d-ornithinamide
+CC(=O)N1c2ccccc2N(C[C@@H]1C3CC3)Cc4ccccc4C(=O)O	D7Q	2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2h)-yl)methyl)benzoic acid
+Cc1cc(n2c1C(=O)NN=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C	D7R	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2h-pyrrolo[1,2-d][1,2,4]triazin-1-one
+C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C	D7S	(5beta,14beta,17alpha,25s)-3-oxocholest-7-en-26-oic acid
+Cc1cccc(c1)CN2CCN(c3c2cccc3)C(=O)C	D7T	1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2h)-yl)ethanone
+Cc1cc(n2c1C(=O)NC=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C	D7U	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2h-pyrrolo[1,2-a]pyrazin-1-one
+CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3	D7V	(3z)-3-(dibenzo[b,e]oxepin-11(6h)-ylidene)-n,n-dimethylpropan-1-amine
+CN1CC(=O)N=C1NC(=O)Nc2cccc(c2)Cl	D7W	1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{h}-imidazol-2-yl)urea
+Cc1cc(n2c1C(=O)NC=C2)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C	D7X	n-[3-(8-methyl-1-oxidanylidene-2h-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide
+CC(C)N[C@@H](CSCCNC(=O)OC(C)(C)C)C(=O)NCc1cccnc1	D7Y	tert-butyl (2-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate
+C1CC[C@@H]2[C@@H](C1)N[Pt](N2)(Cl)Cl	D7Z	ptcl2(1(r),2(r)-dach)
+CCCCc1nc2c(o1)c3ccccc3nc2N	D80	2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine
+CC(C)(C)OC(=C)N[C@@H](Cc1ccccc1)CSC[C@@H](C(=O)NCc2cccnc2)NC3CCCC3	D81	s-{(2s)-2-[(1-tert-butoxyethenyl)amino]-3-phenylpropyl}-n~2~-cyclopentyl-n-[(pyridin-3-yl)methyl]-l-cysteinamide
+[H]/N=C\1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)[C@H](CC3)O)COC(=O)N	D82	beta-saxitoxinol
+[H]/N=C(/c1ccc(cc1)c2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N\[H])/N)\N	D83	2-(4'-carbamimidoylbiphenyl-4-yl)-1h-indole-6-carboximidamide
+c1ccc(c(c1)Cn2c3cc(ccc3nc2COc4cccc(c4)N5CCCC5=O)C6=CNC(=O)C=C6)OC(F)F	D84	5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1h-benzimidazol-6-yl)pyridin-2(1h)-one
+C1CCN(CC1)C(=[NH2+])N	D86	[azanyl(piperidin-1-yl)methylidene]azanium
+CCCCc1cc2c3ccccc3nc(c2o1)N	D87	2-butylfuro[2,3-c]quinolin-4-amine
+CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)Cl)OC	D88	4-[(3,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
+CCS(=O)(=O)Cc1cc(c(nc1)Oc2ccc(cc2F)F)c3cc(c4n3CC=NC4=O)C	D89	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4h-pyrrolo[1,2-a]pyrazin-1-one
+C1CCC(CC1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O	D8A	(1r,2s,3r,4r)-3-amino-4-cyclohexylcyclopentane-1,2-diol
+Cc1cccc(n1)C#Cc2cccc(c2)OC	D8B	2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine
+Cc1c(ccc2c1OC(=O)C3=C2CCN(C3)C(=O)c4ccc(c(c4)Cl)NS(=O)(=O)C)N5CCN(CC5)C	D8C	n-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1h-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide
+CNC(=O)[C@@H](C1CCCCC1)N2CCC[C@H]2C(=O)O	D8D	1-[(1r)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-l-proline
+Cc1cc(no1)C(=O)N[C@H]2CCCCN(C(=O)CC[C@H](NC(=O)[C@@H](NC2=O)Cc3ccc(cc3)F)CO)C	D8E	~{n}-[(2~{s},5~{s},14~{s})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
+CCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]	D8F	(4-nitrophenyl) hexanoate
+Cc1cc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccccc4F	D8G	6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
+Cc1cc(nc(c1)N)CCc2cc(cnc2)NCCCOC	D8H	6-(2-(5-(3-methoxypropylamino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine
+COc1cccc(c1)CNCCS(=O)(=O)O	D8I	2-[(3-methoxybenzyl)amino]ethanesulfonic acid
+c1cc(ccc1C(=O)NC[C@@H]2[C@H]([C@@H](CO2)N)O)F	D8J	2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-d-arabinitol
+Cc1cc(no1)C(=O)N[C@H]2CNC(=O)[C@H]3CCCN3C(=O)CC[C@H](NC(=O)[C@@H](NC2=O)Cc4ccc(cc4)F)CO	D8K	~{n}-[(5~{s},8~{s},11~{s},15~{r})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide
+CS[C@H](Cc1c[nH]c2c1cccc2)C(=O)O	D8L	(2r)-3-(1h-indol-3-yl)-2-methylsulfanyl-propanoic acid
+c1ccnc(c1)CNC(=O)C[C@H]2[C@@H]([C@@H]([C@H](O2)CN)O)O	D8M	2-[(2s,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-n-(pyridin-2-ylmethyl)acetamide
+CC(=O)Nc1ccc(cc1)[C@H]2CC=NO2	D8N	~{n}-[4-[(5~{r})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide
+Cc1ccc2c(n1)N([C@@H](CCNC2)CO)C	D8P	[(2s)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
+CN1C=C(C=CC1=O)C(=O)NCCN	D8Q	~{n}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
+c1ccc2c(c1)ccc3c2sc(c3)C(=O)O	D8S	benzo[g][1]benzothiole-2-carboxylic acid
+C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O	D8T	d-arabinonic acid
+[2H+]	D8U	deuterium(1+)
+CN(CC#C)Cc1nc(cs1)C2(CCNCC2)O	D8V	4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol
+c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N	D8W	5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
+CC(C)CC(=O)C([C@H](COP(=O)(O)O)O)(O)O	D8X	(2s)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate
+c1cc(cc(c1)Cl)CCc2cccnc2N	D8Y	3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine
+C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C	D8Z	artemether
+C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1	D90	n-(2-{[(5-chloro-1h-indol-2-yl)carbonyl]amino}phenyl)-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
+CC(C)C[C@@H]1C[N@](CCN1C(=O)c2ncc(cn2)c3ccncc3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl	D91	5-chloro-2-({3-isobutyl-4-[(5-pyridin-4-ylpyrimidin-2-yl)carbonyl]piperazin-1-yl}sulfonyl)-1h-indole
+C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1	D92	n-((1r,2s)-2-(5-chloro-1h-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide
+C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1	D93	n-((1r,2r)-2-(5-chloro-1h-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide
+CN1CCN(CC1)C2CC(C2)c3nc(c4n3ccnc4N)c5ccc6ccc(nc6c5)c7ccccc7	D94	3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
+C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C	D95	artesunate
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@H](CCC(=O)O)C(=O)O	D96	n-{4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-d-glutamic acid
+c1ccc2c(c1)cc(cn2)CN[C@@H]3[C@H]4CO[C@H](O4)[C@@H]([C@H]3O)N5CCOCC5	D97	(1s,2s,3s,4r,5r)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
+[H]/N=C(/c1ccc2c(c1)nc([nH]2)c3ccc(cc3)c4ccc(cc4O)/C(=N/[H])/N)\N	D98	2-(4'-carbamimidoyl-2'-hydroxybiphenyl-4-yl)-1h-benzimidazole-5-carboximidamide
+CC(C)(C)CN(c1ccc(cc1[C@@H](c2ccccc2Cl)O)Cl)C(=O)CCC(=O)N3CCC[C@H](C3)C(=O)O	D99	(3r)-1-{4-[{4-chloro-2-[(s)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid
+CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc(c3OC)OC)Cl	D9A	n-{[(3r,5s)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-l-aspartic acid
+CN1C=C(C=CC1=O)C(=O)Nc2ccc3c(c2)N(C(=O)O3)CCN(C)C	D9B	~{n}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
+CCOc1c(ccc2c1Oc3c(ccc4c3C(=C2)N(C4=O)C)OC)OC	D9C	4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
+c1cc(oc1CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCOCC4)CO	D9D	(1s,2s,3s,4r,5r)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+C[C@@H]1CCC/C=C/C=C\[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C/C=C\C(=O)O1)O)O)O	D9F	(3~{z},5~{e},8~{s},9~{e},11~{e},14~{s},16~{r},17~{z},19~{e},24~{r})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
+CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]	D9G	n-dodecyl-n,n-dimethylglycinate
+c1cc(ccc1Nc2nc(nc(n2)Cl)NCCO)S(=O)(=O)N	D9H	4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide
+Cc1c(cccn1)N[C@H]2CCCS(=O)(=O)C2	D9K	~{n}-[(3~{s})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
+CC(=O)NCCSC(=O)CCC(=O)O	D9L	4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid
+c1cnccc1CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCOCC4	D9M	(1s,2s,3s,4r,5r)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccc(cc4)C(=O)OC	D9N	methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl)ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate
+C[C@@H]1CCC/C=C/C=C\[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C\C=C\C(=O)O1)OC(=O)CCC(=O)O)O)O	D9O	4-[[(3~{e},5~{z},8~{s},9~{e},11~{e},14~{s},16~{r},17~{z},19~{e},24~{r})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid
+C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5	D9P	1-desthiobiotinylpyrene
+CN1C=C(C=CC1=O)C(=O)NCCN2CCCC2	D9Q	1-methyl-6-oxidanylidene-~{n}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
+CN(Cc1ccccc1)Cc2cc(no2)C[C@H]3CNCC[C@H]3CC(=O)Nc4nccs4	D9S	2-{(3r,4s)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-n-(1,3-thiazol-2-yl)acetamide
+CN1C=C(C=CC1=O)C(=O)NCC2(CCCCC2)N	D9T	~{n}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
+[H]/N=C(\N)/N[C@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(cc2)CNC(=O)CCCNC1=O)CCCCN)CCCCN	D9U	1-[(10~{s},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(27),24(28),25-trien-10-yl]guanidine
+c1cc(oc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4	D9V	(1s,2s,3s,4r,5r)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br	D9W	~{n}-[3-[(3~{r})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
+C1CCC(CC1)NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4	D9Y	1-cyclohexyl-3-[(1s,2s,3s,4r,5r)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea
+c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl	D9Z	5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	DA	2'-deoxyadenosine-5'-monophosphate
+c1cc(ncc1N)N	DA1	pyridine-2,5-diamine
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)C	DA2	ng,ng-dimethyl-l-arginine
+C1[C@@H](ON=C1C(=O)O)C[C@@H](C(=O)O)N	DA3	(2s,5',s)-2-amino-3-(3-carboxy-2-isoxazolin-5-yl)propanoic acid
+C#Cc1cccc(c1)S(=O)(=O)N	DA4	3-ethynylbenzenesulfonamide
+CN(C)CCNC(=O)c1cccc2c1[nH+]c3c(c2[NH3+])cccc3Br	DA5	5-bromo-9-amino-n-ethyl(diaminomethyl)acridine-4-carboxamide
+CN(C)CCNC(=O)c1cccc2c1[nH+]c3cc(ccc3c2[NH3+])Br	DA6	6-bromo-9-amino-n-ethyl(diaminomethyl)acridine-4-carboxamide
+CN(C)CCNC(=O)c1cccc2c1nc3c(c2N)cccc3F	DA7	5-fluoro-9-amino-(n-(2-dimethylamino)ethyl)acridine-4-carboxamide
+CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O	DA8	octyl 3-deoxy-2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-xylo-hexopyranoside
+C(CS)NC(=O)CN=[N+]=[N-]	DA9	2-azido-n-(2-sulfanylethyl)ethanamide
+C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O[Al-](F)(F)F)N	DAA	8-amino-7-carboxyamino-nonanoic acid with aluminum fluoride
+C(CN)[C@@H](C(=O)O)N	DAB	2,4-diaminobutyric acid
+CCCCCCC\C=C/C(=O)SCCNC(=O)C	DAC	2-decenoyl n-acetyl cysteamine
+c1nc(c2c(n1)n(cn2)[C@@H]3CC[C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)N	DAD	2',3'-dideoxyadenosine-5'-triphosphate
+[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F	DAE	o,p-dinitrophenyl aminoethyldiphosphate-beryllium trifluoride
+C=C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C(C(=O)[C@@H]([C@H]2O)O)C=O	DAF	4,6-dideoxy-4-{[(1s,5r,6s)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-d-xylo-hex-5-enopyranose
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N	DAG	4-amino-4,6-dideoxy-beta-d-glucopyranose
+c1cc(c(cc1C[C@@H](C(=O)O)N)O)O	DAH	3,4-dihydroxyphenylalanine
+CCCCCN1C(=O)[C@H]2C3c4ccccc4C([C@H]2C1=O)(c5c3cccc5)CO	DAI	(3as,9as)-2-pentyl-4-hydroxymethyl-3a,4,9,9a-tetrahydro-4,9[1',2']-benzeno-1h-benz[f]isoindole-1,3(2h)-dione
+Cc1c2n(c3c1C(=O)C(=C(C3=O)C)N)C[C@@H](C2)[NH3+]	DAJ	decarbamoyl-2,7-diaminomitosene
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)\C=C\c4ccc(cc4)N(C)C)O	DAK	4-(n,n-dimethylamino)cinnamoyl-coa
+C[C@H](C(=O)O)N	DAL	d-alanine
+CNC(=C)C(=O)O	DAM	n-methyl-alpha-beta-dehydroalanine
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O	DAN	2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
+CCCCCCCCCCCC(=O)O	DAO	lauric acid
+c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)C(=N)N	DAP	6-amidine-2-(4-amidino-phenyl)indole
+[Be](O[P@@](=O)(O)O[P@](=O)(O)OCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F	DAQ	o,p-dinitrophenyl aminopropyldiphosphate beryllium trifluoride
+C(C[C@H](C(=O)O)N)CNC(=[NH2+])N	DAR	d-arginine
+C([C@H](C(=O)O)N)C(=O)O	DAS	d-aspartic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N	DAT	2'-deoxyadenosine-5'-diphosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	DAU	2'deoxy-thymidine-5'-diphospho-alpha-d-glucose
+C(CC[NH3+])CC(=O)O	DAV	delta-amino valeric acid
+c1ccc(cc1)[C@@H](c2cnnn2CC(=O)NCCCS)NC(=O)c3ccc(cc3)S(=O)(=O)N	DAW	n-[(s)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1h-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide
+C[NH+](C)CCNC(=O)c1cccc2c1[nH+]c3c(c2N)cccc3Br	DAX	5-bromo-n[2-(dimethylamino)ethyl]-9-aminoacridine-4-carboxamide
+C[C@@H]1C[C@H]2[C@@H]3C=C(C4=Cc5c(cnn5c6ccccc6)C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)C	DAY	1-[(1r,2r,3as,3bs,10ar,10bs,11s,12as)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone
+N[Zn]N	DAZ	diaminozinc
+C[N@](CC#C)CC1=Cc2ccccc2Oc3c1cccc3	DB0	n-(dibenzo[b,f]oxepin-10-ylmethyl)-n-methyl-n-prop-2-ynylamine
+c1cc(c(c(c1)O)O)C(=O)N	DB1	2,3-dihydroxybenzamide
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C\C/C=C/CCCCC)O)O	DB3	(11z,14e)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
+CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC	DB4	(2r)-3-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate
+C1CCc2c(nn[nH]2)[C@H](CC1)OC(=O)O	DB5	[(4~{s})-4,5,6,7,8,9-hexahydro-1~{h}-cycloocta[d][1,2,3]triazol-4-yl] hydrogen carbonate
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C/C/C=C/CCCCC)O)O	DB6	(11e,14e)-n-[(2s,3s,4r)-1-(alpha-d-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
+CCCCOC(=O)c1ccccc1C(=O)OCCCC	DB7	dibutyl benzene-1,2-dicarboxylate
+CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC	DB8	4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
+[H]/N=C(\c1ccc(cc1)c2cccc(c2)c3[nH]c4cc(ccc4n3)/C(=N\[H])/N)/N	DB9	2-{4'-[amino(imino)methyl]biphenyl-3-yl}-1h-benzimidazole-6-carboximidamide
+Cc1cccc(c1OCC(=O)O)C	DBA	(2,6-dimethyl-phenoxy)-acetic acid
+CC[C@H](C(=O)O)N	DBB	d-alpha-aminobutyric acid
+C([C@@H]1[C@H](OC(O1)O)CS)S	DBC	(4s,5s)-4,5-bis(mercaptomethyl)-1,3-dioxolan-2-ol
+c1ccc2c(c1)C(=NS2(=O)=O)OC[C@H]3c4c(c(c(s4)NC(=O)C(=O)O)C(=O)O)CCO3	DBD	7-(1,1-dioxo-1h-benzo[d]isothiazol-3-yloxymethyl)-2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid
+c1cc(ccc1C(=O)c2ccc(cc2)O)O	DBE	bis(4-hydroxyphenyl)methanone
+c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O	DBF	dibenzofuran-4,6-dicarboxylic acid
+c1ccc(cc1)C(=O)c2ccc(c(c2)N)N[P@@](=O)(N[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O	DBG	3-aminobenzophenone-4-yl-aminohydroxyphosphinylaminophosphonic acid-guanylate ester
+c1cc(c(c(c1)O)O)C(=O)O	DBH	2,3-dihydroxy-benzoic acid
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O	DBI	phosphoric acid mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl] ester
+c1cc(c2c(c1)OCCO2)CO	DBJ	2,3-dihydro-1,4-benzodioxin-5-ylmethanol
+CCCCCCCCCCCC(=O)O[C@H]1C[C@]([C@H]2C[C@H](C(=C2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C	DBK	(3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate
+Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O	DBM	9-(6-deoxy-beta-d-allofuranosyl)-6-methylpurine
+c1cc(ccc1c2ccc(s2)c3[nH]c4cc(ccc4n3)C5=NCCN5)C6=NCCN6	DBN	6-(4,5-dihydro-1h-imidazol-2-yl)-2-{5-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]thien-2-yl}-1h-benzimidazole
+Cc1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)C3=Cc4ccccc4Oc5c3cccc5)O	DBO	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methylbenzyl)amino]propyl}dibenzo[b,f]oxepine-10-carboxamide
+c1cc(cc(c1)N)CN	DBP	1,3-diaminobenzyl phenylalanine
+c1c[nH]c2c1/C(=C\3/C(=O)NC(=N3)N)/CCNC2=O	DBQ	debromohymenialdisine
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)C34CC5CC(C3)CC(C5)C4	DBR	adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-butyl-amide
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O	DBS	2-(2,3-dihydroxy-benzoylamino)-3-hydroxy-propionic acid
+CCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O	DBT	5-heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione
+C\C=C(\C(=O)O)/N	DBU	(2z)-2-aminobut-2-enoic acid
+Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C)C=C)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O	DBV	15,16-dihydrobiliverdin
+c1cc(c(c2c1C=C3C4=C(CC5=C(C4)OCO5)C=CN3C2)O)O	DBW	4,14-dihydro-8h-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol
+c1cc(c(cc1O)S(=O)(=O)O)O	DBX	2,5-dihydroxybenzenesulfonic acid
+c1c(cc(c(c1Br)O)Br)C[C@@H](C(=O)O)N	DBY	3,5 dibromotyrosine
+c1ccc(cc1)C(=O)NC[C@@H](C(=O)O)N	DBZ	3-(benzoylamino)-l-alanine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	DC	2'-deoxycytidine-5'-monophosphate
+CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(=O)O)N	DC0	n-[(2s)-2-amino-4-methylpentyl]-l-phenylalanine
+CC1(CC(=O)CC(=O)C1)C	DC1	5,5-dimethylcyclohexane-1,3-dione
+CC(=O)N[C@@H](CS[C@H](CCl)Cl)C(=O)O	DC2	n-acetyl-s-[(1s)-1,2-dichloroethyl]-l-cysteine
+Cc1cccc(c1)c2cn(nn2)CC[C@@H](Cc3cc(c(cc3F)F)F)N	DC3	(2r)-4-[4-(3-methylphenyl)-1h-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine
+c1ccc2c(c1)c3cc(ccc3o2)Cl	DC4	2-chlorodibenzofuran
+c1ccc(cc1)c2c(cccc2Cl)Cl	DC5	2,6-dichlorobiphenyl
+CN(Cc1cccnc1)Cc2nc(cs2)C3(CCNCC3)O	DC7	4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol
+c1cc(ccc1[C@H]2[C@H]3CC(C[C@H]3c4cc(ccc4O2)O)(F)F)O	DC8	(3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
+CCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	DCA	desulfo-coenzyme a
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)F	DCB	2,4-dinitrophenyl-2-deoxy-2-fluoro-beta-d-cellobioside
+CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	DCC	dodecyl-coa
+CCN(CC)C(=S)S	DCD	diethylcarbamodithioic acid
+C(CCl)Cl	DCE	1,2-dichloroethane
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC[C@H]2O	DCF	2'-deoxycoformycin
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	DCG	2'-deoxy-guanosine-5'-monophosphate
+CCOC(=O)[C@@H](Cc1ccc2ccc(cc2c1)C(N)N)c3ccc(cc3)O[C@H]4CCNC4	DCH	3-(7-diaminomethyl-naphthalen-2-yl)-propionic acid ethyl ester
+CC[C@H](C)CN	DCI	2-methyl-butylamine
+C[N+](C)(CCO)Cc1cn(nn1)c2cc(nc(c2)C(=O)O)C(=O)O	DCJ	n-((1-(2,6-dicarboxypyridin-4-yl)-1h-1,2,3-triazol-4-yl)methyl)-2-hydroxy-n,n-dimethylethanaminium
+C[N+](C)(C)C[C@H](CC(=O)O)O	DCK	(2s)-3-carboxy-2-hydroxy-n,n,n-trimethylpropan-1-aminium
+CC(C)C[C@@H](CO)N	DCL	2-amino-4-methyl-pentan-1-ol
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	DCM	2'-deoxycytidine-5'-monophosphate
+c1cc(ccc1Oc2ccc(cc2O)Cl)Cl	DCN	diclosan
+C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O	DCO	3,3-dichloro-2-phosphonomethyl-acrylic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	DCP	2'-deoxycytidine-5'-triphosphate
+CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C	DCQ	2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
+CCCCCCCCCCCCCCCCCCCC(=O)O	DCR	icosanoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O	DCS	d-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-n,o-cycloserylamide
+C1C[C@@H](O[C@@H]1CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	DCT	2',3'-dideoxycytidine 5'-triphosphate
+C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N	DCU	3,8-diamino-5,10'-(trimethylammonium)decyl-6-phenyl phenanthridinium
+CC(=O)N(CC[C@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O	DCV	[(1r)-3-[acetyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid
+C1CCC(CC1)NC(=O)NC2CCCCC2	DCW	dicyclohexylurea
+CCCCCCCCCCP(=O)(C)C	DCX	decyl(dimethyl)phosphine oxide
+C([C@H](C(=O)O)N)S	DCY	d-cysteine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O	DCZ	2'-deoxycytidine
+c1ccc(c(c1)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N)F	DD1	5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
+c1cc(c(c(c1)Cl)Cl)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N	DD2	5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
+C[C@@H](c1cccc(c1)Cl)Oc2cccc3c2c(nc(n3)N)N	DD3	5-[(1s)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
+Cc1ccc(cc1F)c2nc(on2)[C@H]3C[C@H](CN3)O	DD4	(3r,5r)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
+c1cc(c(cc1c2ccn(n2)C[C@@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F	DD5	(2~{r})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
+CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C\[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C	DD6	(3s,3'r,5r,6s,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol
+c1ccc(cc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)Sc4ccccc4	DD7	(1s,2s,3s,4r,5r)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+CN1c2cnc3ccc(cc3c2N(C1=O)C4CCOCC4)c5cccnc5	DD8	3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one
+CCCCCCCCC	DD9	nonane
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)O	DDA	beta-d-olivopyranose
+C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O	DDB	3-methyl-2,6-dideoxy-beta-d-allopyranose
+c1ccc(cc1)[C@@H]2CC(=O)c3ccc(cc3O2)O	DDC	7-hydroxy-2-phenyl-chroman-4-one
+C1CC(=O)N2C[N@]([C@@H]1C(=O)O)CSC[C@H]2C(=O)NCC(=O)O	DDD	(5r,10s)-5-{[(carboxymethyl)amino]carbonyl}-7-oxo-3-thia-1,6-diazabicyclo[4.4.1]undecane-10-carboxylic acid
+C[N+](C)(C)[C@H](CCc1[nH]cc(n1)C[C@@H](C(=O)O)N)C(=O)N	DDE	{3-[4-(2-amino-2-carboxy-ethyl)-1h-imidazol-2-yl]-1-carbamoyl-propyl}-trimethyl-ammonium
+c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	DDF	5,10-dideazatetrahydrofolic acid
+c1nc2c(n1[C@H]3CC[C@H](O3)COP(=O)(O)O)N=C(NC2=O)N	DDG	2',3'-dideoxy-guanosine-5'-monophosphate
+Cc1c2n3c(c1C(=O)C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C(=C)O)C)CCC(=O)O)C	DDH	[7,12-deacetyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoato(2-)-n21,n22,n23,n24]-iron
+c1ccc2cc3c(cc2c1)[C@H]4[C@@H](C3=O)C[C@@H]([C@@]45c6ccccc6CCC5=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)N	DDI	spiro[naphthalene-2(3h),3'(10'h)-pentaleno[1,2-b]naphthalene]-3,10'-dione, 2'-[(2-amino-2-deoxy-b-d-gulopyranosyl)oxy]-1,1',2',3'a,4,10'a-hexahydro-,(2'r,3'as,10'ar)-(9ci)
+COc1cc(ccc1N)c2ccc(c(c2)OC)N	DDJ	3,3'-dimethoxybiphenyl-4,4'-diamine
+C(CC[C@@H](C[SeH])C(=O)O)CCN	DDK	(2r)-7-amino-2-(selanylmethyl)heptanoic acid
+C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)O	DDL	2,6-dideoxy-beta-d-galactopyranose
+C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O	DDM	2-hydroxymethyl-piperidine-3,4,5-triol
+C1[C@@H]([C@H](O[C@H]1N2C=C[C@H](NC2=O)O)COP(=O)(O)O)O	DDN	3,4-dihydro-2'-deoxyuridine-5'-monophosphate
+C(CCO)C[C@H](C(=O)O)N	DDO	6-hydroxy-d-norleucine
+c1(c(nc(nc1O)N)O)N	DDP	2,4-diamino-4,6-dihydroxypyrimidine
+CCCCCCCCCC[N+](C)(C)[O-]	DDQ	decylamine-n,n-dimethyl-n-oxide
+CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC	DDR	(2s)-3-hydroxypropane-1,2-diyl didecanoate
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N	DDS	2',3'-dideoxyadenosine triphosphate
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccc(cc3)OS(=O)(=O)c4cccc5c4cccc5N(C)C)C(=O)O	DDT	n,o-didansyl-l-tyrosine
+C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O	DDU	2'-5'dideoxyuridine
+c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)NCC4CC4)O	DDV	(1s,2s,3s,4r,5r)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+C(CC[C@@H](CS)C(=O)O)CCN	DDW	(2r)-7-amino-2-(sulfanylmethyl)heptanoic acid
+C1=C[C@H](O[C@@H]1COP(=O)(O)O)O	DDX	2',3'-dehydro-2',3'-dideoxyribofuranose-5'-phosphate
+C1C[C@@H](O[C@@H]1CO[P@@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	DDY	2',3'-dideoxycytosine-5'-diphosphate
+[C@H](C(O)O)(C(=O)O)N	DDZ	3,3-dihydroxy l-alanine
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CCNC1=O)CCCCN)CCCCN	DE0	1-[(9~{r},16~{s},19~{s})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine
+CCCCCCCCCCO	DE1	decan-1-ol
+CC(=O)[C@H](CO)O	DE2	1-deoxy-l-erythrulose
+CCN(CC)C(=O)c1cccc(c1)C	DE3	n,n-diethyl-3-methylbenzamide
+c1ccc(cc1)CN2CC[C@H](C2)Nc3ccc(c(c3)[N](=O)O)CO	DE4	[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-[[(3~{r})-1-(phenylmethyl)pyrrolidin-3-yl]amino]phenyl]methanol
+c1csc(n1)NC(=O)CN	DE5	2-azanyl-~{n}-(1,3-thiazol-2-yl)ethanamide
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)[C@@H](NC1=O)C)CCCCN)CCCCN	DE6	1-[(5~{s},8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
+c1cc(c(cc1N[C@H]2CCCNC2)[N+](=O)[O-])CO	DE7	(2-nitro-4-{[(3s)-piperidin-3-yl]amino}phenyl)methanol
+Cc\1c/c/2c/c3n/c(c\c4c(c(c([nH]4)/cc/5\nc(/cc1\[nH]2)C(=C5CCC(=O)O)C)CCC(=O)O)C)/C=C3C	DE9	3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid
+c1nc(c2c(n1)n(cn2)C[C@H]([C@H](C(=O)O)O)O)N	DEA	d-eritadenine
+CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C	DEB	6-deoxyerythronolide b
+C(CCCCC(=O)O)CCCC(=O)O	DEC	sebacic acid
+CN(C)CCO[P@@](=O)(O)OP(=O)(O)O	DED	2-dimethylamino-ethyl-diphosphate
+CCOC(=O)c1c([nH]nc1C)C	DEE	3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
+CCC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCNOS(=O)(=O)C	DEF	deferoxamine mesylate fe(iii) complex
+CCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	DEG	butyl alpha-d-mannopyranoside
+COc1ccc2cc-3[n+](cc2c1O)CCc4c3cc(c(c4)OC)O	DEH	2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium
+CS\C=C(\C(=O)O)/O	DEI	(2z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid
+CC(C)N[C@@H](CSC[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)C(=O)NCc3cccnc3	DEJ	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
+C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)CO	DEL	4-deoxylactose
+CCCCCCCCCCOCO	DEM	decyloxy-methanol
+c1ccc2c(c1)CC=C2	DEN	indene
+CCOc1ccc(cc1)c2ccc(cc2)C(=O)C[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)O	DEO	2-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]-4-(4'-ethoxy-1,1'-biphenyl-4-yl)-4-oxobutanoic acid
+CCOP(=O)OCC	DEP	diethyl phosphonate
+Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N)C)N	DEQ	dequalinium
+C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O	DER	d-4-phosphoerythronic acid
+CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O	DES	diethylstilbestrol
+CCCCCCCCCCC[N+](C)(C)[O-]	DET	undecylamine-n,n-dimethyl-n-oxide
+Cc1cc2cc3[n+]4c(cc5c(c(c6n5[Co+3]47n2c1cc8[n+]7c(c6)C(=C8)C)C)CCC(=O)O)C(=C3C)CCC(=O)O	DEU	co(iii)-(deuteroporphyrin ix)
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSC[C@H](C(=O)NCc2cccnc2)Nc3ccccc3	DEV	tert-butyl [(2s)-1-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+c1csc2c1CN(CC2)C(=O)CN	DEW	2-azanyl-1-(6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-yl)ethanone
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C	DEX	dexamethasone
+CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)O[C@H](C)C(=O)N	DEY	(2r)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothia diazin-7-yl}oxy)propanamide
+C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O	DEZ	4-phospho-d-erythronate
+c1ccc(cc1)c2ccc(cc2F)CC(=O)O	DF0	(2-fluorobiphenyl-4-yl)acetic acid
+C[C@H](CNc1c2c(c([nH]c2ncn1)c3ccccc3)c4ccccc4)O	DF1	(2r)-1-[(5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
+c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NC[C@H](CO)O	DF2	(2r)-3-{[(4z)-5,6-diphenyl-6,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-ylidene]amino}propane-1,2-diol
+c1ccc2c(c1)c(cn2CCNC(=O)c3cccc(c3)C(F)(F)F)SCC(=O)Nc4ccc5c(c4)OCCO5	DF3	n-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1h-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
+CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)[O-])F)O	DF4	(3r,4r,5r,6r)-5-(acetylamino)-3-fluoro-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4,5,6-tetrahydropyranium-2-carboxylate
+COc1ccc2c(c1)ccc[n+]2C(=O)c3ccc(cc3)S(=O)(=O)N	DF5	6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium
+COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4	DF6	n-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide
+c1ccc2c(c1)c(c[nH]2)CN3CC[C@H](C3)Nc4ccc(c(c4)[N](=O)O)CO	DF7	[4-[[(3~{r})-1-(1~{h}-indol-3-ylmethyl)pyrrolidin-3-yl]amino]-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methanol
+c1nc(c2c(n1)n(c(n2)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	DF8	(2~{r},3~{r},4~{s},5~{r})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
+c1ccc(cc1)CSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N	DF9	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol
+c1ccc(cc1)C(c2ccccc2)C(=O)O	DFA	diphenylacetic acid
+c1cc(c(c(c1)F)F)CO	DFB	2,3-difluorobenzyl alcohol
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	DFC	2'-deoxy-l-ribo-furanosyl cytosine-5'-monophosphate
+CCCCCCCCCCOC=O	DFD	decyl formate
+CC(OCC(F)(F)F)(F)F	DFE	2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane
+c1ccc(cc1)C(=O)c2ccc(cc2)C[C@H](C(=O)O)N	DFF	4-benzoyl-d-phenylalanine
+c1nc2c(n1[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	DFG	2'-deoxy-l-ribo-furanosyl guanine-5'-monophosphate
+CC(c1ccccc1)(c2ccccc2)O	DFH	1,1-diphenylethanol
+CC(C)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N	DFI	2,2-difluorostatine
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N)NC(=O)Cc3ccc(cc3)C(F)(F)P(=O)(O)O	DFJ	n-({4-[difluoro(phosphono)methyl]phenyl}acetyl)-l-phenylalanyl-4-[difluoro(phosphono)methyl]-l-phenylalaninamide
+[H]/N=C(/N)\NCCC[C@@H](C(C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N	DFK	d-phenylalanyl-n-[(1s)-4-{[(z)-amino(imino)methyl]amino}-1-(chloroacetyl)butyl]-l-prolinamide
+c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O	DFL	2-(4-hydroxy-phenyl)-chroman-4-one
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N	DFM	n-acetyl-l-phenylalanyl-4-[difluoro(phosphono)methyl]-l-phenylalaninamide
+Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O	DFN	3-[3-(2,3-dihydroxy-propylamino)-phenyl]-4-(5-fluoro-1-methyl-1h-indol-3-yl)-pyrrole-2,5-dione
+CC(C)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N	DFO	2,2-difluoro-3-hydrostatine
+CC(C)OP(=O)OC(C)C	DFP	diisopropyl phosphonate
+C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2ccc3c(c2)cc(cn3)/C=C/C(=O)NC	DFQ	(2e)-3-{6-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-n-methylprop-2-enamide
+C[C@H]1[C@@H]([C@H](O[C@@]1(CO)O)CO)O	DFR	3-deoxy-3-methyl-beta-d-fructofuranose
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c(nc2)nc[nH]3)F	DFS	2,6-difluoro-n-(1h-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide
+Cc1cc(c(cc1F)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	DFT	1-[2-deoxyribofuranosyl]-2,4-difluoro-5-methyl-benzene-5'monophosphate
+C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O	DFU	(2s,3r,4s,5r)-2-methylpiperidine-3,4,5-triol
+c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O	DFV	7-hydroxy-2-(4-hydroxy-phenyl)-chroman-4-one
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCC(=O)O	DFW	n-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)glycine
+C1[C@H]([C@@H]([C@H](CO1)F)O)O	DFX	1,5-anhydro-2-deoxy-2-fluoro-d-xylitol
+CN(CCO)c1c2c(c(oc2ncn1)c3ccccc3)c4ccccc4	DFY	(5,6-diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-acetic
+c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NCCO	DFZ	3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	DG	2'-deoxyguanosine-5'-monophosphate
+[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O)O)O)C(=O)O)O)O	DG0	4-o-alpha-d-galactopyranuronosyl-alpha-d-galactopyranuronic acid
+c1cnccc1C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O	DG1	(4s)-isonicotinic-acetyl-nicotinamide-adenine dinucleotide
+C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O	DG2	(2r)-2,3-diphosphoglyceric acid
+c1nc2c(n1[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N	DG3	2'-3'-dideoxyguanosine-5'-triphosphate
+C([C@@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O	DG4	phosphono (2s)-2-oxidanyl-3-phosphonooxy-propanoate
+C(CO)[C@H]([C@@H](C(COP(=O)(O)O)O)O)O	DG6	2-deoxy-glucitol-6-phosphate
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4cccnc4	DG7	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)Nc5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N	DG8	2'-deoxy-8-(pyren-1-ylamino)guanosine 5'-(dihydrogen phosphate)
+CC(C)[C@H]([C@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P+](=O)[O-])O)N	DG9	5'-({[(2r,3r)-3-amino-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC	DGA	diacyl glycerol
+c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3	DGB	(2e)-n-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide
+C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O	DGC	4-deoxy-alpha-l-threo-hex-4-enopyranuronic acid
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC	DGD	digalactosyl diacyl glycerol (dgdg)
+C[C@H]([C@@H](C=O)[C@@H]1N=C(C(S1)[C@H]2CCCO2)C(=O)O)O	DGF	(2r,5r)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-5-[(2r)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC	DGG	1-[glycerolylphosphonyl]-2-[8-(2-hexyl-cyclopropyl)-octanal-1-yl]-3-[hexadecanal-1-yl]-glycerol
+c1cc(ccc1[C@H](C(=O)O)N)O	DGH	(2r)-amino(4-hydroxyphenyl)acetic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	DGI	2'-deoxyguanosine-5'-diphosphate
+C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O	DGJ	(2r,3s,4r,5s)-2-(hydroxymethyl)piperidine-3,4,5-triol
+C(CC(=O)O)[C@H](C(=O)O)N	DGL	d-glutamic acid
+[CH+]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	DGM	d-glucopyranosylium
+C(CC(=O)N)[C@H](C(=O)O)N	DGN	d-glutamine
+C1=CO[C@@H]([C@H]([C@@H]1O)O)CO	DGO	d-glucal
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	DGP	2'-deoxyguanosine-5'-monophosphate
+[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	DGQ	(s)-2-(3-((s)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid
+c1cc(cnc1)C(=O)NNC(=O)/C=C/C(=O)O	DGR	(e)-4-(2-nicotinoylhydrazinyl)-4-oxobut-2-enoic acid
+C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)OS(=O)(=O)O)O	DGS	3,6-anhydro-2-o-sulfo-alpha-d-galactopyranose
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	DGT	2'-deoxyguanosine-5'-triphosphate
+C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O	DGU	d-galacturonic acid
+c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC(CC3)c4c(cccc4Cl)Cl	DGV	1-benzyl-n-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-d-prolinamide
+Cc1cccc2c1CC[C@@H](C[C@@H]2O)CN3CCC(CC3)c4c(cccc4Cl)Cl	DGW	(5s,7s)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ol
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O	DGX	digoxin
+C([C@H](C(=O)O)O)O	DGY	(2r)-2,3-dihydroxypropanoic acid
+C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O	DGZ	n-((2r,3s,6s,18s,21s)-2-amino-18-(4-benzoylbenzyl)-21-carbamoyl-3-hydroxy-6-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-1-phenyl-11,14-dioxa-5,8,17,20-tetraazapentacosan-25-yl)hex-5-ynamide
+COc1ccc(cc1Cc2cnc(nc2N)N)OCCCCC(=O)O	DH1	2,4-diamino-5-[2-methoxy-5-(4-carboxybutyloxy)benzyl]pyrimidine
+c1cc(c(cc1[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O	DH2	(2s,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one
+COc1cc(cc(c1OC)C#CCCCC(=O)O)Cc2cnc(nc2N)N	DH3	2,4-diamino-5-[3',4'-dimethoxy-5'-(5-carboxyl-1-pentynyl)]benzyl pyrimidine
+CC1(C(NC(S1)[C@H](C=O)/N=C/N2CCCCCC2)C(=O)O)C	DH4	2-[(1r)-1-{[(e)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+Cc1cc(ccc1Br)CN2C(=C(C(=O)NC2=O)N(C)S(=O)(=O)c3ccccc3)N	DH5	n-(6-amino-1-(4-bromo-3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+c1ccc(cc1)/C=C/C(=O)N	DH6	cinnamide
+CC(=CCC/C(=C/CCC(=C=CC=C=C(CC/C=C(/CCC=C(C)C)\C)C)C)/C)C	DH7	(6e,10r,13s,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene
+C/C=C/1\[C@@H]2C[C@H]3[C@@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5OC(=O)C)[N@]3[C@@H]1O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)c7ccccc7N4	DH8	(2beta,7beta,16s,17r,19e,21beta)-21-(beta-d-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate
+CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O	DH9	(2s,3s,5s)-5-[(n-formyl-l-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid
+C=C(C(=O)O)N	DHA	2-amino-acrylic acid
+c1cc(c(cc1C(=O)O)O)O	DHB	3,4-dihydroxybenzoic acid
+c1cc(c(cc1\C=C\C(=O)O)O)O	DHC	caffeic acid
+C(C(=O)C(=O)O)C(=O)C(=O)O	DHD	2,4-dioxo-pentanedioic acid
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=[N]7[Fe]3(N45)[N]8=C(C=C7[C@@](C6=O)(C)CC(=O)O)C(=O)[C@](C8=C2)(C)CC(=O)O)C)CCC(=O)O	DHE	heme d
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N	DHF	dihydrofolic acid
+CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@@](=O)(O)OCCO	DHG	phosphonic acid 2-dodecanoylamino-hexyl ester propyl ester
+C(CCC(O)O)C[C@@H](C(=O)O)N	DHH	(s)-2-amino-7,7-dihydroxyheptanoic acid
+c1c([nH+]c[nH]1)C[C@H](C(=O)O)N	DHI	d-histidine
+C(C[P@](=O)(CC(=O)CC(=O)O)O)C(=O)O	DHJ	4-(2-carboxyethyl)(hydroxy)phosphoryl]-3-oxobutanoic acid
+C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O	DHK	3-dehydroshikimate
+C(CS)N	DHL	2-amino-ethanethiol
+C[C@H](CCCC(C)(C)O)C=C	DHM	2,6-dimethyl-7-octen-2-ol
+C(C[C@@H](C(=O)O)N)CO	DHN	5-hydroxy norvaline
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	DHO	deoxycholic acid
+CCCCCCCCCCC1=C(C(=O)NC1=O)O	DHP	3-decyl-2,5-dioxo-4-hydroxy-3-pyrroline
+Cc1cccc2c1CCNC2=O	DHQ	3,4-dihydro-5-methyl-isoquinolinone
+c1cc(ccc1[C@@H](C#N)O)O	DHR	(2s)-hydroxy(4-hydroxyphenyl)ethanenitrile
+C1[C@H]([C@@H](C(C=C1C(=O)[O-])N)O)O	DHS	3-amino-4,5-dihydroxy-cyclohex-1-enecarboxylate
+C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C	DHT	5-alpha-dihydrotestosterone
+C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	DHU	5,6-dihydrouridine-5'-phosphate
+CC(C)([C@H](C(=O)O)N)O	DHV	3-hydroxy-d-valine
+c1cc(c(cc1CC(=O)O)O)O	DHY	2-(3,4-dihydroxyphenyl)acetic acid
+C1C=CN(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	DHZ	3,4-dihydro-1h-pyrimidin-2-one nucleoside
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O	DI	2'-deoxyinosine-5'-monophosphate
+CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O	DI0	dirithromycin
+CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(c(c3)Oc4ccc5c(c4)CC(=O)N5)C	DI1	4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide
+B([C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O	DI2	ac-(d)phe-pro-borolys-oh
+B([C@H](CCCCC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O	DI3	ac-(d)phe-pro-boro-n-butyl-amidino-glycine-oh
+B([C@H](CCCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O	DI4	ac-(d)phe-pro-borohomolys-oh
+B([C@H](CCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O	DI5	ac-(d)phe-pro-borohomoornithine-oh
+C(CC(=O)O)[C@H]1C(=O)NC(=O)N1	DI6	3-[(4s)-2,5-dioxoimidazolidin-4-yl]propanoic acid
+Cc1cc(cc(c1C[C@@H](C(=O)O)N)C)O	DI7	2,6-dimethyl-l-tyrosine
+c1ccc2c(c1)C[C@H](NC2)C(=O)O	DI8	(3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
+C1CCC(C1)OP(=O)(N)OC2CCCC2	DI9	dicyclopentyl phosphoramidate
+C(CCCCN)CCCN	DIA	octane 1,8-diamine
+CN(C)CCCN	DIB	3-amino-(dimethylpropylamine)
+c1ccc2c(c1)C(=C(OC2=O)Cl)Cl	DIC	3,4-dichloroisocoumarin
+c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N	DID	4,4'[1,6-hexanediylbis(oxy)]bisbenzenecarboximidamide
+CCc1cccc(c1O)CC	DIE	2,6-diethylphenol
+c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl	DIF	2-[2,6-dichlorophenyl)amino]benzeneacetic acid
+C([C@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O	DIG	2,5-dideoxy-2,5-imino-d-glucitol
+c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO	DIH	7-[[(3r,4r)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
+CC(C)OP(=O)(C)OC(C)C	DII	methylphosphonic acid diisopropyl ester
+CC(=CC(=O)CCc1ccc(cc1)NC(=O)CCCC(=O)O)C	DIK	5-{[4-(5-methyl-3-oxohex-4-en-1-yl)phenyl]amino}-5-oxopentanoic acid
+CC[C@@H](C)[C@H](C(=O)O)N	DIL	d-isoleucine
+Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)NCCC(=[NH2+])N)C)NC=O	DIM	diimidazole lexitropsin
+c1cc2cc(ccc2c(c1)O)O	DIN	1,6-dihydroxy naphthalene
+C1COCCO1	DIO	1,4-diethylene dioxide
+CCCCCNCCCCC	DIP	dipentylamine
+C[N@@]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)O	DIQ	2-methyl-decahydro-isoquinoline-3-carboxylic acid
+C([C@@H](C(=O)O)N)N/C(=N/O)/N	DIR	3-{[(e)-amino(hydroxyimino)methyl]amino}alanine
+O	DIS	disordered solvent
+COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)C6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC	DIT	ditercalinium
+c1c(cc(c(c1C(=O)O)O)I)I	DIU	2-hydroxy-3,5-diiodo-benzoic acid
+CC[C@](C)(C(=O)O)N	DIV	d-isovaline
+CC\1(c2ccccc2N(/C1=C/C=C/c3cc[n+](c4c3cccc4)CCCS(=O)(=O)O)C)C	DIW	1-(3-sulfopropyl)-4-[(1e,3e)-3-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)prop-1-en-1-yl]quinolinium
+CNCCCC1CCCC1	DIX	methyl(cyclopentyl-propyl)amine
+CCCC[C@@H]1CCCNC1	DIY	5-butylpiperidine
+c1cc(ccc1[C@H]2C(=O)Nc3ccc(cc3C(=O)N2[C@@H](c4ccc(cc4)Cl)C(=O)O)I)Cl	DIZ	(4-chlorophenyl)[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4h-1,4-benzodiazepin-4-yl]acetic acid
+c1ccc(cc1)COc2c(cc(cc2F)F)CCC=O	DJ0	3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSC[C@@H](C(=O)NCc3cccnc3)NC4CCCC4	DJ1	tert-butyl [(2s)-1-{[(2r)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1h-indol-3-yl)propan-2-yl]carbamate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CON)O)O)N	DJ2	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol
+CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@@H](O1)CCCC(=O)O	DJ3	5s-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid
+c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N](=O)O)CO)C(F)(F)F	DJ4	[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-[[(3~{s})-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]phenyl]methanol
+c1cc(cnc1)NC(=O)c2cc(sc2Cl)Cl	DJ6	2,5-dichloro-n-(pyridin-3-yl)thiophene-3-carboxamide
+Cc1cc(ccc1CNC(=O)Nc2ccc-3cc2OCCOCCNc4ccn5c(c3cn5)n4)Cl	DJ8	1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea
+COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4ccc5cc[nH]c5c4	DJ9	2-(1h-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1h-imidazo[4,5-c]pyridine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)OC(=O)C	DJB	3-o-acetyl-2-acetamido-2-deoxy-alpha-d-galactopyranuronic acid
+c1cc(ccc1CCC=O)c2cc(ccc2C(F)(F)F)F	DJC	3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal
+Cc1nnc(nn1)c2ccc(cc2)C[C@@H](C(=O)O)N	DJD	4-(6-methyl-1,2,4,5-tetrazin-3-yl)-l-phenylalanine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)O	DJE	2-acetamido-2-deoxy-alpha-d-galactopyranuronic acid
+[B-]12(c3c(cccc3OCCCO)CO1)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	DJF	[(1s,5r,6r,8r)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate
+Cc1cccc2c1C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F	DJH	2-[1'-(1~{h}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@H](P(=O)(O)O)Cl)O)O	DJJ	5'-o-[(r)-{[(r)-[(s)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine
+C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	DJK	n-[4-(3-bromo-phenylamino)-quinazolin-6-yl]-acrylamide
+CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH3+]	DJL	(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propan-1-aminium
+Cc1cc(cc(c1)n2ccnc2SCC(=O)NO)C	DJM	2-{[1-(3,5-dimethylphenyl)-1h-imidazol-2-yl]sulfanyl}-n-hydroxyacetamide
+CC(=O)N[C@H]1CN[C@@H]([C@@H]([C@@H]1O)O)CO	DJN	n-[(3s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
+c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2CO	DJO	(phenylmethyl) (2s)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
+c1c(cnc(n1)O)F	DJP	5-fluoropyrimidin-2-ol
+c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)Cc6nc(no6)C7CC7	DJQ	3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{h}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	DJR	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]carbamate
+CC[C@H](C)Nc1cc(cc(n1)S(=O)(=O)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H]([C@H]3CCCN3)O	DJS	2-{[(2s)-butan-2-yl]amino}-n-{(1r,2s)-1-hydroxy-3-phenyl-1-[(2r)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)F)S(=O)(=O)c5ccccc5Cl	DJT	(2s,4r)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+CN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3	DJU	n,n-dimethyl-1-(5-phenylmethoxy-1h-indol-3-yl)methanamine
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2C[C@H](CN2)OCC3CCCCC3)O	DJV	n-[(1r,2s)-1-[(2r,4r)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide
+COc1ccc2c(n1)C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)N6CCC[C@H]6C(F)(F)F	DJW	1-(1~{h}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{s})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one
+CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccncc4	DJX	n-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
+[H]/N=C(\c1ccc(cc1)NC(=O)c2cc(c(cc2c3ccc(nc3C(=O)O)C(=O)NCC4CC4)OC)C=C)/N	DJY	3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid
+Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)Cc4ccc(cc4)S(=O)(=O)C)C)C#N	DJZ	3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile
+C[C@H](Cc1ccccc1)O	DK0	(2~{r})-1-phenylpropan-2-ol
+c1c(cc(c2c1nc(cc2O)C(=O)O)Cl)Cl	DK1	5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid
+c1cc(ccc1C[C@H](C(=O)O)N2C(=O)c3ccc(cc3C2=O)C(=O)O)O	DK2	2-[(1r)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxoisoindoline-5-carboxylic acid
+CCCCCCCCC[C@@H](CC(=O)OC)O	DK3	methyl (3s)-3-hydroxydodecanoate
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O)F	DK4	1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3C[C@H]([C@@H]([C@H](O3)CO)O)F	DK5	1-(2,3-dideoxy-3-fluoro-beta-d-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1h)-one
+CCC(O)O	DK6	propane-1,1-diol
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2CO[C@H](CN2)OCC3CCCCC3)O	DK7	n-[(1s,2s)-1-[(3r,6r)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C)/C)/C)C	DK8	2-[(2~{e},6~{e},10~{z},14~{e},18~{e},22~{e},26~{e})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
+CCCCC(O)O	DK9	pentane-1,1-diol
+CCCCCCCCCC(=O)O	DKA	decanoic acid
+c1ccc(cc1)CCc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O	DKD	(2s)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid
+CC1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H](C4([C@H]1O4)C)OC(=O)CCCCc5cn(nn5)CCCNC(=O)c6ccc(c(c6)C7=C8C=CC(=O)CC8=Oc9c7ccc(c9)O)C(=O)O)C)\C)OC)(NC(=O)O2)O	DKE	fcmaytansine
+CCCCCC(O)O	DKF	hexane-1,1-diol
+Cc1ccnnc1	DKG	4-methylpyridazine
+Cc1ccc(cc1NS(=O)(=O)C)c2cc(c3nnc(n3n2)C)NC(=O)CCNC(=O)C(CN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NC(CN)C(=O)NCC(=O)[N]c4[c]c(nn5c4nnc5[C])c6[c][c]c(c([c]6)[N]S(=O)(=O)[C])[C]([C])[C]	DKH	3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{n}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide
+c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F	DKI	5-amino-3-{[4-(aminosulfonyl)phenyl]amino}-n-(2,6-difluorophenyl)-1h-1,2,4-triazole-1-carbothioamide
+C[C@H]1[C@@H](OC[C@@H](N1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)C)O)OCC(C)(C)C	DKJ	n-{(1s,2s)-3-(3,5-difluorophenyl)-1-[(3r,5s,6r)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide
+[H]/N=C(\N)/NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccn2)(F)F)C#N	DKK	n-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide
+CCCCCCC(O)O	DKL	heptane-1,1-diol
+CN1CC2=CSC3=C(C(=O)c4cc(c(c1c4N23)N5C[C@@H]([C@H](C5)O)N(C)C)F)C(=O)O	DKM	5-[(3s,4s)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8h-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid
+C/C=C/[C@H](O)[C@](C(=O)OC)([C@H]1OC(=O)c2nc(oc2)/C=C/C=C/C=C\C[C@H](OC(=O)c3nc(oc3)/C=C/C=C/C=C\C1)[C@@](C(=O)OC)([C@@H](O)/C=C/C)C)C	DKN	disorazole z
+CCCCCCCC(O)O	DKO	octane-1,1-diol
+CCCO[C@H](c1ccccc1Cl)c2cc3c([nH]2)c(ccn3)C(=O)O	DKP	2-[(r)-(2-chlorophenyl)(propoxy)methyl]-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+[H]/N=C(/c1ccc(cc1)Cl)\N	DKQ	4-chloranylbenzenecarboximidamide
+Cc1ccc(cc1)CNC(=O)c2ccc[nH]2	DKR	n-[(4-methylphenyl)methyl]-1h-pyrrole-2-carboxamide
+c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCC(CC4)(F)F)Cl	DKS	2-{(s)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3CCCCC3)C(=O)O	DKT	4-[2-(3-benzyloxycarbonylamino-4-cyclohexyl-1-hydroxy-2-oxo-butylamino)-5-guanidino-pentanoylamino]-4-(1-carboxy-2-cyclohexyl-ethylcarbamoyl)-butyric acid
+Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccccc5C4=O	DKU	3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
+c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCC4CCC(CC4)(F)F)Cl	DKV	2-{(s)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+C#CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	DKW	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-prop-2-ynyl-oxolane-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O	DKX	1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)F)O	DKY	1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1h)-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O	DKZ	4-amino-1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)pyrimidin-2(1h)-one
+Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccc(cc5C4=O)Cl	DL0	6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
+COc1cc(ccc1NC(=O)c2cccc(n2)c3ccn[nH]3)N4CCOCC4	DL1	n-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1h-pyrazol-5-yl)pyridine-2-carboxamide
+c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)CC4=NC(=O)C(=CC4)Cl	DL2	5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{h}-pyridin-6-one
+CNc1nccc(n1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5	DL3	~{n}1-[(4-chlorophenyl)methyl]-~{n}1-cyclopentyl-~{n}4-[[2-(methylamino)pyrimidin-4-yl]methyl]-~{n}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide
+C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	DL4	(14beta,17alpha,25r)-3-oxocholest-4-en-26-oic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N	DL5	spiro(2,4,6-trinitrobenzene[1,2a]-o2',o3'-methylene-adenosine (beta,gamma-methylene)triphosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CN=[N+]=[N-])O)O)O)O	DL6	n-(azidoacetyl)-beta-d-glucopyranosylamine
+C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C	DL7	(5beta,14beta,17alpha,25r)-3-oxocholest-7-en-26-oic acid
+c1ccc(cc1)c2cn(nn2)CC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	DL8	n-[(4-phenyl-1h-1,2,3-triazol-1-yl)acetyl]-beta-d-glucopyranosylamine
+c1ccc(cc1)/C(=C(\c2ccc(cc2)C3CCN(CC3)C4CC4)/c5ccc(cc5)O)/CCCO	DL9	(e)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol
+C[C@H](C(=O)O)O	DLA	d-lactic acid
+CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccc(cc4O3)CCC(=O)O	DLB	3-[1'-[(2~{s})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid
+C[C@H]1/C(=C\C=C\2/C[C@H](C[C@@H](C2=C)O)O)/CCC[C@]1(C)[C@H](C)[C@H](C)C[C@H]3C[C@@](C(=O)N3CCc4ccccc4)(C)O	DLC	(3r,5s)-5-{(2r,3r)-3-[(1r,2s,3z)-3-{(2e)-2-[(3s,5r)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-1,2-dimethylcyclohexyl]-2-methylbutyl}-3-hydroxy-3-methyl-1-(2-phenylethyl)pyrrolidin-2-one
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)OCCN=[N+]=[N-])CO)CO)O)O	DLD	2-azidoethyl 2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]-2-deoxy-beta-d-glucopyranoside
+CC(C)C[C@H](C(=O)O)N	DLE	d-leucine
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O)O)O	DLF	2-deoxy-alpha-l-fucopyranose
+CCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O	DLG	hexyl 3-deoxy-beta-d-galactopyranoside
+c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl	DLH	2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone
+CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F	DLI	(3r,4s)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
+CN1CCC[C@@H]1CCO[C@@H](c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O	DLJ	2-[(s)-(2-chlorophenyl){2-[(2r)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+CC(=C1C(=O)CC(CC1=O)c2ccccc2)Nc3ccccc3OC	DLK	2-{1-[(2-methoxyphenyl)amino]ethylidene}-5-phenyl-1,3-cyclohexanedione
+c1ccc(cc1)CC(=O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	DLL	5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine
+c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O	DLM	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium
+CC(C)n1c2c(c(n1)C#Cc3cccc(c3)O)c(ncn2)N	DLN	3-{[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol
+CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	DLP	1,2-dilinoleoyl-sn-glycero-3-phosphocholine
+c1ccc(cc1)CN2[C@H](SCC2=O)c3ccc4c(c3)cn[nH]4	DLR	(2r)-3-benzyl-2-(1h-indazol-5-yl)-1,3-thiazolidin-4-one
+CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)C	DLS	di-acetyl-lysine
+C[N+](C)(CCCC(=O)O)CCF	DLT	3-carboxy-n-(2-fluoroethyl)-n,n-dimethylpropan-1-aminium
+C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O	DLU	(4r,12as)-n-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
+CCOc1ccccc1/N=C(\C)/C2=C(C[C@@H](CC2=O)c3ccccc3)O	DLW	(5~{s})-2-[(~{e})-~{n}-(2-ethoxyphenyl)-~{c}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one
+C[C@H](CCCC(C)C)CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C	DLX	2-[(2~{e},6~{e},10~{z},14~{z},18~{z},23~{r})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione
+C(CCN)C[C@H](C(=O)O)N	DLY	d-lysine
+CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C	DLZ	1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl)-d-ribitol
+CN(C)CCCC[C@@H](C(=O)O)N(C)C	DM0	n~2~,n~2~,n~6~,n~6~-tetramethyl-l-lysine
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O	DM1	daunomycin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O	DM2	doxorubicin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O	DM3	6-deoxydaunomycin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)O)O)(C(=O)CO)O)N)O	DM4	1-o-demethyl-6-deoxydoxorubicin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N)O	DM5	idarubicin
+C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[NH3+])O	DM6	4'-epidoxorubicin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[NH3+])I	DM7	4'-deoxy-4'-iododoxorubicin
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)Br)N)O	DM8	2'-bromo-4'-epidaunorubicin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)c(c5cccc(c5c4O)OC)O)O)(C(=O)C)O)[N@@](CCOC)CO)O	DM9	n-hydroxymethyl-n-(2-methoxyethyl)-daunomycin
+CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C	DMA	dimethylallyl diphosphate
+Cc1cc(cc(c1O)C)N=Nc2ccccc2C(=O)O	DMB	2-((3',5'-dimethyl-4'-hydroxyphenyl)azo)benzoic acid
+CCN(CC)c1ccc(c(c1)O)\C=C(/C)\C(=O)O	DMC	3-(4-diethylamino-2-hydroxy-phenyl)-2-methyl-propionic acid
+Cc1cc2c(cc1C)nc[nH]2	DMD	5,6-dimethylbenzimidazole
+C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C	DME	decamethonium ion
+CN(C)C=O	DMF	dimethylformamide
+CN(C)CC(=O)O	DMG	n,n-dimethylglycine
+CN(C)C(=O)C[C@@H](C(=O)O)N	DMH	n4,n4-dimethyl-asparagine
+Cc1[nH+]ccn1C	DMI	2,3-dimethylimidazolium ion
+C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O	DMJ	1-deoxymannojirimycin
+CC(C)([C@@H](C(=O)O)N)C(=O)O	DMK	3,3-dimethyl aspartic acid
+[CH3].[CH3]	DML	terminal dimethyl
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[N@]6CCO[C@@H](C6)OC)O	DMM	3'-desamino-3'-(2-methoxy-4-morpholinyl)-doxorubicin
+CNC	DMN	dimethylamine
+C(CC(C(F)F)(C(=O)O)N)CN	DMO	alpha-difluoromethylornithine
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O	DMP	[4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-[1,3-bis([4-hydroxymethyl-phenyl]methyl)-4,7-bis(phen ylmethyl)]-2h-1,3-diazepinone
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)N)Cc4cccc(c4)N)Cc5ccccc5)O)O	DMQ	[4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([(3-amino)phenyl]methyl)-4,7-bis(phenylmethyl)-2h-1,3-diazepinone
+C([C@H](C(=O)O)O)C(=O)O	DMR	2-hydroxy-succinic acid
+CS(=O)C	DMS	dimethyl sulfoxide
+C\C=C\CC(C)(C)[C@H]([C@@H](C(=O)O)NC)O	DMT	3-hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid
+CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	DMU	decyl-beta-d-maltopyranoside
+CC[C@](C)([C@H](C(=O)O)O)O	DMV	2,3-dihydroxy-valerianic acid
+CC1=C(C(=O)c2ccccc2C1=O)C	DMW	2,3-dimethyl-1,4-naphthoquinone
+C[N+](C)(CCCS(=O)(=O)[O-])Cc1ccccc1	DMX	3-[benzyl(dimethyl)ammonio]propane-1-sulfonate
+Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=N)N)NC=O	DMY	distamycin a
+Cc1ccc(cc1)S(=O)(=O)[N@](C)c2ccnn2c3ccccc3	DMZ	4-methyl-n-methyl-n-(2-phenyl-2h-pyrazol-3-yl)benzenesulfonamide
+C1CO[C@@H]([C@H]1O)COP(=O)(O)O	DN	unknown 2'-deoxynucleotide
+c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCOCC4	DN0	2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{n}-(phenylmethyl)ethanamide
+CC(C)CC(C(=O)N[C@H](CC(F)F)[C@H](C(=O)O)O)NC(=O)[C@]1(Cc2ccccc2N1)Cc3ccsc3C(=O)O	DN1	3-({(2s)-2-[({(1r)-1-[({(1r)-1-[(r)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carb onyl]-2,3-dihydro-1h-indol-2-yl}methyl)thiophene-2-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](CC(F)F)[C@H](C(=O)O)O)NC(=O)[C@]1(Cc2ccccc2N1)Cc3ccsc3C(=O)O	DN2	3-({(2s)-2-[({(1s)-1-[({(1s)-1-[(r)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carbonyl]-2,3-dihydro-1h-indol-2-yl}methyl)thiophene-2-carboxylic acid
+CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3	DN3	3-[(dimethylamino)methyl]-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)O	DN4	[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
+CC(C)[C@@H](c1ccc(c(c1)Cl)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3	DN5	(2~{s})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3	DN6	n-[3-(1h-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
+c1ccnc(c1)Oc2ccc(cc2)C(=O)O	DN7	4-[(pyridin-2-yl)oxy]benzoic acid
+c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3	DN8	3-bromo-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCNC(=O)C[C@](CC(=O)O)(C(=O)O)O)O	DN9	(2~{s})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
+c1ccc2c(c1)c(cc(c2O)C(=O)O)O	DNA	1,4-dihydroxy-2-naphthoic acid
+c1cc(c(cc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N)N	DNB	(2s,3s,4r,5r)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
+c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-]	DNC	3,5-dinitrocatechol
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O	DND	nicotinic acid adenine dinucleotide
+CCCC[C@H](C(=O)O)N	DNE	d-norleucine
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O	DNF	2,4-dinitrophenol
+CCCC[C@H](C(=O)O)NC=O	DNG	n-formyl-d-norleucine
+C1CC[C@H]([C@@H](C1)N)N	DNH	1r,2r-diaminocyclohexane
+C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O	DNJ	1-deoxy-nojirimycin
+CC(C)[C@@H](c1ccccc1)C(=O)N2CCC3(CC2)Oc4ccccc4O3	DNK	(2~{s})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+C(CCC=O)CCN	DNL	6-amino-hexanal
+CCCC[C@H](C(=O)O)NC	DNM	n-methyl-d-norleucine
+C[C@@H]([C@@H](CCCCCC(=O)O)N)N	DNN	7,8-diamino-nonanoic acid
+C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O	DNO	d-mannose
+C([C@@H](C(=O)O)N)[NH3+]	DNP	3-amino-alanine
+C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-]	DNQ	6,7-dinitroquinoxaline-2,3-dione
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=[NH+]C2=O)N)COP(=O)(O)O)O	DNR	2'-deoxy-n3-protonated cytidine-5'-monophosphate
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@@H](C(=O)O)N	DNS	n~6~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-l-lysine
+CCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]	DNT	2-[1-methylhexyl]-4,6-dinitrophenol
+Cn1ccnc1CCO[C@@H](c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O	DNV	2-{(s)-(2-chlorophenyl)[2-(1-methyl-1h-imidazol-2-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NC[C@@H](C(=O)O)N	DNW	3-[(2,4-dinitrophenyl)amino]-l-alanine
+c1cc(c(cc1O)[N+](=O)[O-])[N+](=O)[O-]	DNX	3,4-dinitrophenol
+c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCCN4CCCCC4)Cl	DNY	2-{(s)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+C[C@@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)N	DNZ	(2~{r},3~{s})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+c1ccc(c(c1)[C@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl	DO1	2-{(r)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+C(CC(C=O)(O)O)[C@@H](C(=O)O)N	DO2	5,5-dihydroxy-6-oxo-l-norleucine
+C[C@H](CN1CC[N@](CCN(CC[N@](CC1)CC(=O)O)CC(=O)O)CC(=O)O)O	DO3	10-((2r)-2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane 1,4,7-triacetic acid
+C(CC(=O)C(=O)O)C=O	DO4	2,5-dioxopentanoic acid
+C[C@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)O	DO5	(2~{r},3~{r})-2-(4-chlorophenyl)-3-oxidanyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+Cc1c(c2ccc(c(c2o1)O)OC)C(=O)c3cc(c(c(c3)OC)OC)OC	DO6	(6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O	DO7	[(2s,3s,4s,5r,6s)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
+C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](COP(=O)(O)O)O)O)O	DO8	3-deoxy-8-o-phosphono-alpha-d-manno-oct-2-ulopyranosonic acid
+c1cc(ccc1C#N)NC(=S)NCc2cnc3n2c(cs3)C#CC4CC4	DO9	1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea
+C(CCCCCC(=O)O)CCCCCN	DOA	12-amino-dodecanoic acid
+c1cc(c(cc1O)O)C(=O)O	DOB	2,4-dihydroxybenzoic acid
+C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=NC2=O)N	DOC	2',3'-dideoxycytidine-5'-monophosphate
+[2H]O[2H]	DOD	deuterated water
+c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)CSCCO	DOE	(s)-2-(4-(2-(2-hydroxyethylthio)-acetamido)-benzyl)-1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate
+c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)[N+](=O)[O-]	DOF	(s)-2-(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O	DOG	digoxigenin
+[C@H]([C@@H](C(=O)O)O)(C(=O)O)N	DOH	beta-hydroxy aspartic acid
+c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	DOI	9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-(phosphonooxy)-9h-purine
+C[C@@H](O)O[C@H]1CN(CC[C@@H]1NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3ccccc3	DOJ	n-{(3s,4s)-1-benzyl-3-[(1s)-1-hydroxyethoxy]piperidin-4-yl}-n'-[3-(trifluoromethyl)phenyl]urea
+CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3	DOK	(2~{s})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](\C=C\C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc3nc(co3)C2=O)O)/C)C)C(C)C	DOL	5-(2-diethylamino-ethanesulfonyl)-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triaza-tricyclo[23.2.1.00,255]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetraone
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	DOM	2'-deoxymaltose
+C(CC(=O)CN=N)[C@@H](C(=O)O)N	DON	6-diazenyl-5-oxo-l-norleucine
+Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@H]6CCN[C@H]6C5	DOO	6-fluoro-4-[(3ar,6ar)-hexahydropyrrolo[3,4-b]pyrrol-5(1h)-yl]-n-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9h-pyrimido[4,5-b]indol-8-amine
+CCCCCCCCOP(=O)(O)OCCCCCCCC	DOP	dioctylphosphate
+C[C@H](\C=C\C=C(\C)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O	DOQ	(2s,3s,4s)-2-carboxy-4-[(1z,3e,5r)-5-carboxy-1-methyl-1,3-hexadienyl]-3-pyrrolidineacetic acid
+C1[C@H](NC(=O)NC1=O)C(=O)O	DOR	(4s)-2,6-dioxohexahydropyrimidine-4-carboxylic acid
+c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=CC=CC=C6C7=CC=CC=[N]37	DOS	delta-bis(2,2'-bipyridine)imidazole osmium (ii)
+c1ccc(c(c1)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N)N	DOT	3'anthraniloyl-2'-deoxy-adenosine-5'-triphosphate
+CN1CCN(CC1)[C@@H]2CC[C@@H]3[C@@H](C2)N[C@@H](N3)[C@@H]4[C@H]([C@H]5[C@@H](CCC[C@@H]5F)NC4=O)N	DOV	1-amino-5-fluoro-3-(6-(4-methylpiperazin-1-yl)-1h-benzo[d]imidazol-2-yl)quinolin-2(1h)-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O	DOW	(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-glucopyranoside
+C1COCCO1	DOX	dioxane
+c1ccc(cc1)[C@@H]2CC(=O)N(c3ccccc3S2)CC(=O)O	DOY	[(2s)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2h)-yl]acetic acid
+CN(C)[Zn]O	DOZ	(dimethylamino)(hydroxy)zinc'
+C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=NC3=O)N)COP(=O)(O)O)O	DP	[(2~{r},3~{s},5~{r})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CC(C)N(CC[C@](c1ccccc1)(c2ccccn2)C(=O)N)C(C)C	DP0	disopyramide
+C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-]	DP1	l-n(omega)-nitroarginine-2,4-l-diaminobutyric amide
+C(CCN)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N	DP2	l-lysyl-n~5~-[(z)-(2,2-dihydroxyhydrazino)(imino)methyl]-l-ornithinamide
+C(C[C@@H](CNCCN)N)CNC(=N)N[N+](=O)[O-]	DP3	n-{(4s)-4-amino-5-[(2-aminoethyl)amino]pentyl}-n'-nitroguanidine
+C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-]	DP4	(1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)S[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)S)CO)CO)O)O)S)O	DP5	1,4-dimercapto-alpha-d-glucopyranosyl-(1-4)-s-1,4-dimercapto-beta-d-glucopyranosyl-(1-4)-s-1,4-dimercapto-beta-d-glucop  yranose
+C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O	DP6	(3r)-3-hydroxy-5-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid
+[H]/N=C(/N)\NCCC[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C	DP7	ac-(d)phe-pro-boroarg-oh
+CN(C)CCOc1ccc(cc1)Oc2ccccc2	DP8	n,n-dimethyl-2-(4-phenoxyphenoxy)ethanamine
+C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N	DP9	l-n(omega)-nitroarginine-(4r)-amino-l-proline amide
+COc1cc(c(cc1OC)NC(=O)C(=C)OC)C=O	DPA	4,5-dimethoxy-n-(2'-methoxypropenoyl anthranilate)
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]3[C@@H](O2)CO[C@](O3)(c4ccccc4)P(=O)(O)O	DPB	(s)-1-[2'-deoxy-3',5'-o-(1-phosphono)benzylidene-b-d-threo-pentofuranosyl]thymine
+CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N)NC(=O)C	DPC	5-acetylamino-4-amino-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4h-pyran-2-carboxylic acid
+CCCCOc1ccc(cc1OCCCC)[C@@H](C)NCCCNCCC(c2ccccc2)c3ccccc3	DPD	n-(3,3,-diphenylpropyl)-n'-[1-r-(2 3,4-bis-butoxyphenyl)-ethyl]-propylenediamine
+CCCCCCCCCCC[P@@H](=O)OC	DPE	n-undecanylphosphonate methyl ester group
+CCOP(=O)(O)OCC	DPF	diethyl hydrogen phosphate
+CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](COP(=O)(O)O)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C	DPG	phosphoric acid 2,3-bis-(3,7,11,15-tetramethyl-hexadecyloxy)-propyl ester 2-hydroxo-3-phosphonooxy-propyl ester
+C[C@@H](Cc1ccccc1)C(=O)O	DPH	deamino-methyl-phenylalanine
+CCOP(=S)(O)OCC	DPJ	o,o-diethyl hydrogen thiophosphate
+C[C@H](Cc1ccccc1)N(C)CC=C	DPK	deprenyl
+C1[C@H](NCC1=O)C(=O)O	DPL	4-oxoproline
+Cc1c(c(c([nH]1)Cc2c(c(c[nH]2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	DPM	3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic acid
+c1ccc(cc1)C[C@H](C(=O)O)N	DPN	d-phenylalanine
+[O-]P(=O)([O-])OP(=O)([O-])[O-]	DPO	diphosphate
+C([C@@H](C(=O)O)N)N	DPP	diaminopropanoic acid
+C1C=C(C(=O)C=C1C[C@@H](C(=O)O)N)O	DPQ	(s)-2-amino-3-(4-hydroxy-3-oxocyclohexa-1,4-dienyl)propanoic acid
+C1C[C@@H](NC1)C(=O)O	DPR	d-proline
+c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O	DPS	3-(1h-indol-3-yl)-2-[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-propionic acid
+Cc1ccnc2c1ccc3c2nccc3C	DPT	4,7-dimethyl-[1,10]phenanthroline
+C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)OP(=O)(O)O)N	DPU	mixed carbamic phosphoric acid anhydride of 7,8-diaminononanic acid
+CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C	DPV	dodecyl 2-(trimethylammonio)ethyl phosphate
+CCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C	DPW	decyl 2-trimethylazaniumylethyl phosphate
+Cc1ncc(c(n1)N)CN/C(=C(/[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O)\S)/C	DPX	mono-{4-[(4-amino-2-methyl-pyrimidin-5-ylmethyl)-amino]-2-hydroxy-3-mercapto-pent-3-enyl-phosphono} ester
+c1cc(nc(c1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C(=O)O)C(=O)O	DPY	2-deoxyribofuranosyl-pyridine-2,6-dicarboxylic acid-5'-monophosphate
+c1c(cc(c2c1C(=O)NNC2=O)N)N	DPZ	3,5-diaminophthalhydrazide
+c1cc(cc(c1)Cl)c2c(nc(nc2N)N)COc3cccc(c3)OCCCC(=O)O	DQ0	4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid
+CCOC(=O)CCCOc1cc(ccc1OC)NCc2ccc3c(c2)c(nc(n3)N)N	DQ1	ethyl 4-(5-{[(2,4-diaminoquinazolin-6-yl)methyl]amino}-2-methoxyphenoxy)butanoate
+c1nc(c2c(n1)n(c(n2)SCCC(=O)NCCN)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	DQ2	[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium
+c1ccc(cc1)OCCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl	DQ3	5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N/O)O	DQ5	2-[(~{e})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol
+Cc1cccc(c1)C(CC[C@@H](C(=O)O)N)(c2ccccc2)c3ccccc3	DQ6	(2s)-2-amino-5-(3-methylphenyl)-5,5-diphenylpropanoic acid
+Cc1cccc(c1)C(CC[C@H](C(=O)O)N)(c2ccccc2)c3ccccc3	DQ7	(2r)-2-amino-5-(3-methylphenyl)-5,5-diphenylpropanoic acid
+CC(=O)c1cccc(c1)C(c2ccccc2)(c3ccccc3)SCCN	DQ8	1-(3-{[(2-aminoethyl)sulfanyl](diphenyl)methyl}phenyl)ethanone
+c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCC(=O)O	DQ9	2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid
+C1[C@H]([C@@H](C(=O)C[C@]1(C(=O)O)O)O)O	DQA	1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid
+c1cc(ccc1C(=O)NCCCC(=O)O)NCc2ccc3c(c2)C(=O)NC(=N3)N	DQB	4-[(4-{[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]amino}benzoyl)amino]butanoic acid
+CCCN1CCC(CC1)N(Cc2ccc3c(c2)OCO3)C(=O)Nc4cccc(c4)C(F)(F)F	DQD	n-[(2h-1,3-benzodioxol-5-yl)methyl]-n-(1-propylpiperidin-4-yl)-n'-[3-(trifluoromethyl)phenyl]urea
+c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCCCC(=O)O	DQF	4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid
+c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl	DQG	2-{(s)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O	DQH	(2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one
+CC(C)c1cc(n[nH]1)C(=O)N2CC[C@@H](C2)NC(=O)C3CC3	DQJ	n-{(3s)-1-[5-(propan-2-yl)-1h-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
+c1ccc2cc(ccc2c1)S[C@@H](CC(=O)NCCCC[C@@H](C=O)N)C(=O)O	DQK	(2~{s})-4-[[(5~{s})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid
+c1c(cc2c(c1O)nc(s2)N)S	DQL	2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol
+C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N	DQM	(2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{s},5~{s})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CC1=C(C(=O)C(=C(C1=O)C)C)C	DQN	duroquinone
+c1cc(c(c(c1)Cl)N2c3cc(cc(c3CNC2=O)c4ccc(cc4F)F)N5CCNCC5)Cl	DQO	1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperazin-1-yl-3,4-dihydroquinazolin-2(1h)-one
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2Br)Br)Br)Br)Br	DQP	{5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid
+C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O	DQQ	2,5-dideoxy-2,5-imino-d-mannitol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O	DQR	beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl alpha-d-glucopyranoside
+CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C(C)(C)C	DQS	5-(1-tert-butyl-1h-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)c3ccc(cc3)C)OC)CO)O	DQT	methyl 3-deoxy-2-o-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-d-talopyranoside
+c1cc2c(cc1N)c(nc(n2)N)O	DQU	2,6-diamino-3h-quinazolin-4-one
+c1cc(cc(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	DQV	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5s)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+C[C@@H](COC[C@H](C)O)O	DQW	(2~{s})-1-[(2~{s})-2-oxidanylpropoxy]propan-2-ol
+c1cc(c2c(c1)ncc(n2)c3cnn(c3)C4CCNCC4)c5cc(c(c(c5)F)CN6CCOCC6)F	DQX	8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1h-pyrazol-4-yl)quinoxaline
+CS(C)CCC(=O)O	DQY	3-(dimethyl-lambda~4~-sulfanyl)propanoic acid
+c1cc(ccc1CCC(=O)O)Br	DQZ	3-(4-bromophenyl)propanoic acid
+CCCCCC[N+](C)(C)CO	DR0	n-(hydroxymethyl)-n,n-dimethylhexan-1-aminium
+Cn1c2ccccc2cc-3nc4ccccc4c13	DR1	5-methyl-5h-indolo[3,2-b]quinoline
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O)O)O)O	DR2	6-deoxy-alpha-l-idopyranosyl-(1->2)-alpha-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-l-gulopyranose
+CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3O)CO)O)NC(=O)C)CO)O)O)O)O)O	DR3	6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+COC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	DR4	methyl 9-(beta-d-talopyranosyloxy)nonanoate
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O	DR5	methyl 4-o-l-glucopyranosyl-alpha-l-ribo-hexopyranoside
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	DR6	alpha-[4-(1,1,3,3 - tetramethylbutyl)phenyl]-omega-hydroxy-poly(oxy-1,2-ethanediyl)
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC	DR7	(3s,8s,9s,12s)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5, 6,10,13-pentaazatetradecanedioic acid dimethyl ester
+CC#CC#CC#C[N+](C)(C)C	DR8	n,n,n-trimethylhepta-1,3,5-triyn-1-aminium
+CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC\C=C/CCCCCC	DR9	1-cis-9-octadecanoyl-2-cis-9-hexadecanoyl phosphatidyl glycerol
+CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@H](O7)C)O)N(C)C)O	DRA	11-deoxy-beta-rhodomycin
+CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3	DRB	delta-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c9-adamantane ruthenium (ii)
+c1ccc2c(c1)c(c3cccc(c3n2)C(=O)NCCN4CCOCC4)N	DRC	9-amino-n-[2-(4-morpholinyl)ethyl]-4-acridinecarboxamide
+CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3cccc4OC(C)(C)C(=O)O)C(=O)c5ccccc5	DRD	2-[(1-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1h-indol-4-yl)oxy]-2-methylpropanoic acid
+C(CCCNCCCCCCN)CCN	DRE	n-(6-aminohexyl)hexane-1,6-diamine
+CCO[C@@H](Cc1ccc(cc1)OCCN2c3ccccc3Oc4c2cccc4)C(=O)O	DRF	(2s)-2-ethoxy-3-{4-[2-(10h-phenoxazin-10-yl)ethoxy]phenyl}propanoic acid
+c1ccc-2c(c1)CCc3c2nnc(c3)N	DRG	5,6-dihydro-benzo[h]cinnolin-3-ylamine
+CCCCCCC[N@@](CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)c2nc3ccccc3o2	DRH	(2s)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)OC	DRI	2,6-dideoxy-4-o-methyl-beta-d-glucopyranose
+CCCCCCCN(CCc1ccc(cc1)O[C@](C)(CC)C(=O)O)c2nc3ccccc3o2	DRJ	(2r)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid
+c1ccc2c(c1)c(c([nH]2)C3=C4C=CC=CC4=NC3=O)NOCC[C@@H](CO)O	DRK	3-({[(3s)-3,4-dihydroxybutyl]oxy}amino)-1h,2'h-2,3'-biindol-2'-one
+CC1=NC2=C(CSCC2)C(=O)N1	DRL	2-methyl-3,5,7,8-tetrahydro-4h-thiopyrano[4,3-d]pyrimidin-4-one
+C1C[C@H]([C@@H](C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O	DRM	{[(1r,2s)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}methylphosphonic acid
+[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C	DRN	bisindolylmaleimide ix
+Cc1c(c(nn1c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C(=O)N(c5ccccc5)c6ccccc6)Cl	DRO	1-(2-{[(3s)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}phenyl)-4-chloro-5-methyl-n,n-diphenyl-1h-pyrazole-3-carboxamide
+c1cc(cnc1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	DRP	2-deoxyribofuranosyl-pyridine-5'-monophosphate
+CC/C=C\c1cc2c(cc1O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C	DRQ	(9alpha,13beta,17beta)-2-[(1z)-but-1-en-1-yl]estra-1,3,5(10)-triene-3,17-diol
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC(=O)[C@@H]3Cc4ccc(cc4)OCCCCC(=O)N[C@H](C(=O)N3)C(C)C	DRR	(9s,12s)-9-(1-methylethyl)-n-[(8s,11s)-8-[(1s)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide
+CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc(cc2)OCCCCC(=O)N1)C(=O)O	DRS	(9s,12s)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O	DRT	2'-deoxy-l-ribo-furanosyl thymine-5'-monophosphate
+c1cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=CC=CC=C6C7=CC=CC=[N]37	DRU	delta-bis(2,2'-bipyridine)imidazole ruthenium (ii)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N	DRV	[(2s,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (aminoacetyl)sulfamate
+C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N	DRW	(2s,3r,4s)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+c1ccc2cc(ccc2c1)NC(=O)[C@H](c3csc4c3cc(cc4)Cl)P(=O)(O)O	DRX	[(1s)-1-(5-chloro-1-benzothien-3-yl)-2-(2-naphthylamino)-2-oxoethyl]phosphonic acid
+CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3ccc(c4)OCC(=O)O)C(=O)c5ccccc5	DRY	[(1-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1h-indol-5-yl)oxy]acetic acid
+C(C=O)[C@@H]([C@@H](COP(=O)(O)O)O)O	DRZ	3',4'-dihydroxy-pentanal-5'-phosphate
+C1[C@H](C(=NO1)OP(=O)(O)O)N	DS0	[(4r)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate
+c1c(cnc(n1)N)O	DS1	2-aminopyrimidin-5-ol
+CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)O	DS2	{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetic acid
+CCC(CC)(c1ccc(c(c1)C)OCCCCC(=O)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O	DS3	5-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}pentanoic acid
+CCC(CC)(c1ccc(c(c1)C)/C=C/C(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)c3ccc(c(c3)F)CC(=O)O	DS4	[3-fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)biphenyl-4-yl]acetic acid
+CCC(CC)(c1ccc(c(c1)C)C#CC(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O	DS5	(4s)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-yn-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid
+CCC(CC)(c1ccc(c(c1)C)CC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O	DS6	(4s)-4-hydroxy-5-[4-(3-{4-[(3s)-3-hydroxy-4,4-dimethylpentyl]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]pentanoic acid
+Cc1cc(c(n1C)C)C(=O)O	DS7	1,2,5-trimethyl-1h-pyrrole-3-carboxylic acid
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O	DS8	(2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{s},4~{r},6~{r})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
+C[C@]12CCCN1CC3=NNC(=O)c4cc(cc5c4c3c2[nH]5)F	DS9	(2r)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one
+C[C@H]1CN(c2c1c3cc([nH]c3c(c2)O)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC	DSA	4-hydroxy-8-methyl-6-(4,5,6-trimethoxy-1h-indole-2-carbonyl)-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester
+C(CC(=O)CCC(=O)O)C(=O)CCC(=O)O	DSB	4,7-dioxosebacic acid
+CCCCCCCCCCCCS(=O)(=O)[O-]	DSC	dodecanesulfonate ion
+C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N	DSD	7-(carboxyamino)-8-amino-nonanoic acid
+CN[C@H](CO)C(=O)O	DSE	n-methyl-d-serine
+[C@H](C(F)(F)F)(OC(F)F)F	DSF	(2s)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane
+C([C@H](C(=O)O)N)C(=O)N	DSG	d-asparagine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCN)O)O)N	DSH	5'-s-(3-aminopropyl)-5'-thioadenosine
+C[C@@H]1CN(c2c1c3cc([nH]c3c(c2)O)C(=O)OC)C(=O)c4cc5ccccc5[nH]4	DSI	4-hydroxy-6-(1h-indole-2-carbonyl)-8-methyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester
+CC(=O)c1ccc(cc1O)N	DSJ	1-(4-amino-2-hydroxyphenyl)ethan-1-one
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O)CO)O)O	DSK	(2r,3s,4s)-1-[(2s,3s,4r,5r,6s)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name)
+CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C	DSL	mono-trans, octa-cis decaprenyl-phosphate
+CNCCCN1c2ccccc2CCc3c1cccc3	DSM	3-(10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)-n-methylpropan-1-amine
+C([C@H](C(=O)O)N)O	DSN	d-serine
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4	DSO	adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide
+C([C@H](C(=O)O)N)C(=O)O	DSP	d-aspartic acid
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O	DSQ	(2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{r},3~{s},4~{r},6~{r})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)S	DSR	2,6-dideoxy-4-thio-beta-d-allopyranose
+CSC[S@@](=O)C	DSS	methyl methylsulfinylmethyl sulfide
+CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C	DST	dimethylallyl s-thiolodiphosphate
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)OC)O)O)O)O)O	DSU	((2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-((2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxy-tetrahydro-2h-pyran-2-yloxy)-tetrahydrofuran-2-yl)methyl nonanoate
+CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1	DSV	n-(dibenzo[b,d]thiophen-3-ylsulfonyl)-l-valine
+CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC	DSX	batimastat
+CN(C)c1cccc2c1ccc(c2)S(=O)(=O)O	DSY	5-(dimethylamino)-2-naphthalenesulfonic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)N	DSZ	5'-o-(l-alpha-aspartylsulfamoyl)adenosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	DT	thymidine-5'-monophosphate
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CCCNC1=O)CCCCN)CCCCN	DT0	1-[(10~{r},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine
+c1cc(ccc1Nc2cc(nc3n2ncn3)OCC4CCCCC4)S(=O)(=O)N	DT1	4-{[5-(cyclohexylmethoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide
+c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCCCC4)S(=O)(=O)N	DT2	4-{[5-(cyclohexylamino)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide
+C([C@H]([C@@H](CS(=O)(=O)[O-])O)O)S	DT3	(2s,3s)-2,3-dihydroxy-4-sulfanylbutane-1-sulfonate
+c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCC(CC4)N)S(=O)(=O)N	DT4	4-({5-[(4-aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzenesulfonamide
+c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N	DT5	4-{[5-(cyclohexyloxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide
+CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)NC(=O)C)O)CO	DT6	2,4-bisacetamido-2,4-dideoxy-beta-d-glucopyranose
+COc1cc2c(cc1OC)C[N@@](CC2)S(=O)(=O)N	DT7	6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-sulfonamide
+C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C(=O)N(C)C)C1	DT8	n-((1r,2s,5s)-2-(5-chloro-1h-indole-2-carboxamido)-5-(dimethylcarbamoyl)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide
+C[C@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC	DT9	(1s)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1h)-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSSC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	DTA	(2s,3s,4r,5r,2's,3's,4'r,5'r)-2,2'-[dithiobis(methylene)]bis[5-(6-amino-9h-purin-9-yl)tetrahydrofuran-3,4-diol]
+C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O	DTB	6-(5-methyl-2-oxo-imidazolidin-4-yl)-hexanoic acid
+c1ccc2c(c1)C(=O)C(C(=O)O2)CC3C(=O)c4ccccc4OC3=O	DTC	bishydroxy[2h-1-benzopyran-2-one,1,2-benzopyrone]
+C1[C@@H]([C@H](CSS1)O)O	DTD	dithiane diol
+c1cc2c(c[nH]c2c(c1)Cl)C[C@H](C(=O)O)N	DTE	7-cl-d-tryptophan
+c1ccc2c(c1)cccc2C[C@@H]3C\C=C\[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H](C(=O)NC3)CC(=O)N)c5ccc(cc5)CP(=O)(O)O	DTF	4-[(10s,14s,18s)-18-(2-amino-2-oxoethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]benzylphosphonic acid
+CC(C)(C)CC(=O)O	DTG	des-amino t-butyl glycine
+C[C@@H]([C@H](C(=O)O)N)O	DTH	d-threonine
+Cc1csc[n+]1C	DTI	3,4-dimethylthiazolium ion
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2CO)C3=NN(C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C	DTJ	4-tert-butyl-n-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O	DTK	(2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{r},3~{s},4~{r},6~{s})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
+C([C@@H]([C@H](CO)O)O)O	DTL	l-treitol
+CN(Cc1cc(c(c(c1)OC)OC)OC)c2cc3c(nc(nc3nc2)N)N	DTM	2,4-diamino-6-[n-(3',4',5'-trimethoxybenzyl)-n-methylamino]pyrido[2,3-d]pyrimidine
+[O-]S(=O)S(=O)[O-]	DTN	dithionite
+C([C@H]([C@@H](CSO)O)O)S	DTO	1-hydroxysulfanyl-4-mercapto-butane-2,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N	DTP	2'-deoxyadenosine 5'-triphosphate
+COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O	DTQ	4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N	DTR	d-tryptophan
+c1ccc(cc1)S(=O)Cc2ccccc2C(=O)O	DTS	2-{[(s)-phenylsulfinyl]methyl}benzoic acid
+C([C@@H]([C@H](CS)O)O)S	DTT	2,3-dihydroxy-1,4-dithiobutane
+C([C@H]([C@H](CS)O)O)S	DTU	(2r,3s)-1,4-dimercaptobutane-2,3-diol
+C([C@H]([C@@H](CS)O)O)S	DTV	(2s,3s)-1,4-dimercaptobutane-2,3-diol
+c1nc(c2c(n1)n(c(n2)SCCCC(=O)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	DTW	[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O	DTX	digitoxigenin
+c1cc(ccc1C[C@H](C(=O)O)N)O	DTY	d-tyrosine
+S[Zn]S	DTZ	zinc(ii)hydrogensulfide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	DU	2'-deoxyuridine-5'-monophosphate
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO)CO)C)C)C)OC1	DU0	2-[2-[(1~{s},2~{s},4~{s},5'~{r},6~{r},7~{s},8~{r},9~{s},12~{s},13~{r},16~{s})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol
+CCCN1C(=O)c2c(nc([nH]2)C3CCCCC3)N(C1=O)CCCNC(=O)c4ccc(cc4)S(=O)(=O)F	DU1	4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3h-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride
+Cn1ccnc1C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O	DU2	2',5'-dideoxy-5'-{[(r)-(1-methyl-1h-imidazol-2-yl)(phenyl)methyl]amino}uridine
+c1ccc(cc1)C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O	DU3	2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine
+C[N@](C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)C(c3ccccc3)c4ccccc4	DU4	2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine
+c1ccc(cc1)C(=O)NCCCN2CCN(CC2)c3c4ccccc4ccn3	DU5	~{n}-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide
+c1cc(ccc1C#N)NC(=O)NCc2cnc3n2c(cs3)C#CC4CC4	DU6	1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea
+Cc1cc(nc(n1)N)Cl	DU7	4-chloro-6-methylpyrimidin-2-amine
+c1nc(c2c(n1)n(c(n2)SCCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N	DU8	3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid
+C[C@@H]1CN(C[C@@H](O1)C)c2cc3c(c(c2)F)C4(CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5)C(=O)N3C	DU9	6-[(2s,6r)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)O	DUA	2',5'-dideoxy-5'-(tritylamino)uridine
+c1cc(c(c(c1)Cl)O)Cl	DUB	2,6-dichlorophenol
+C1CNC(=O)NC1=O	DUC	dihydropyrimidine-2,4(1h,3h)-dione
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O	DUD	deoxyuridine-5'-diphosphate
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cc(cc3c2occ3)c4ccc(cc4)CN	DUE	(2~{s})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid
+c1cc(c(cc1OCC=O)Cl)F	DUG	(3-chloro-4-fluorophenoxy)acetaldehyde
+c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c4ccccn4nc3O)F)F	DUH	2-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
+C[C@H](C(=O)N)SC1=Nc2c(cnn2c3cccc(c3)Cl)C(=O)N1	DUK	(2r)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide
+CCSc1cccc(c1)c2ccc(s2)C(=O)N	DUL	5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide
+*	DUM	dummy atoms
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(NP(=O)(O)O)O)O	DUN	2'-deoxyuridine 5'-alpha,beta-imido-diphosphate
+C[C@@H]1CN(c2c1c3c(c(c2)O)N[C@@](C3=O)(C)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC	DUO	4-hydroxy-2,8-dimethyl-1-oxo-6-(4,5,6-trimethoxy-1h-indole-2-carbonyl)-1,2,3,6,7,8-hexahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O	DUP	2'-deoxyuridine 5'-alpha,beta-imido-triphosphate
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC[C@@H](CN4C=CC(=O)NC4=O)C(=O)NCCO	DUQ	(2s)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-n-(2-hydroxyethyl)-4-trityloxy-butanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O	DUR	2'-deoxyuridine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COS(=O)(=O)O)O	DUS	2'-deoxy-5'-o-sulfouridine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O	DUT	deoxyuridine-5'-triphosphate
+[H]/N=C(\N)/N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(cc2)CNC(=O)CCCNC1=O)CCCCN)CCCCN	DUU	1-[(10~{r},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine
+C#CCCC[C@H](C=O)C(=O)O	DUV	(2r)-2-methanoylhept-6-ynoic acid
+c1ccc(cc1)C[C@H](C=O)C(=O)O	DUW	(2r)-2-methanoyl-3-phenyl-propanoic acid
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)F	DUX	2,3-deoxy-3-fluoro-5-o-trityluridine
+CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](C4CCCC4)C(=O)O	DUY	(2s)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-l-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid
+c1ccc(cc1)CNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	DUZ	5-(benzylcarbamoyl)-2'-deoxyuridine 5'-(dihydrogen phosphate)
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)[C@H](NC1=O)C)CCCCN)CCCCN	DV0	1-[(5~{r},8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
+C=CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	DV1	(3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d][1,3]thiazole-6,7-diol
+Cc1c(scn1)c2ccc(cc2)CNC(=S)[C@@H]3C[C@H](CN3C(=O)[C@H](C)NC(=O)C)O	DV2	~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide
+C1CO[C@@H]([C@H]1O)COP(=O)(O)S	DV3	1,4-anhydro-2-deoxy-5-o-thiophosphono-d-erythro-pentitol
+CC(=O)Nc1cc(n(c1)C)C(=O)Nc2cn(c(n2)C(=O)NCCCC(=O)Nc3ccn(c3)C)C	DV4	4-{[4-(acetylamino)-1-methyl-1h-pyrrole-2-carbonyl]amino}-1-methyl-n-{4-[(1-methyl-1h-pyrrol-3-yl)amino]-4-oxobutyl}-1h-imidazole-2-carboxamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O	DV5	(2~{s},4~{r})-1-[(2~{s})-2-acetamidopropanethioyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+C[N+](C)(C)[C@@H](CC1=CN[C@@H](N1)SS)C(=O)O	DV6	[(2s)-3-[(2s)-2-(disulfanyl)-2,3-dihydro-1h-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium
+c1cc2c(cc1O)OC(=O)C=C2CC[C@@H](C(=O)O)N	DV7	l-(7-hydroxycoumarin-4-yl)ethylglycine
+Cc1c(scn1)c2ccc(cc2)CNC(=S)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O	DV8	~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-sulfanylidene-propan-2-yl]ethanamide
+C(CC(=O)C(F)(F)P(=O)(O)O)[C@@H](C(=O)O)N	DV9	(2s)-2-azanyl-6,6-bis(fluoranyl)-5-oxidanylidene-6-phosphono-hexanoic acid
+CC(C)[C@H](C(=O)O)N	DVA	d-valine
+C[C@H]1C([C@@](C[C@@H](O1)O)(C)N)(O)O	DVC	(2r,4s,6s)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol
+CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CO)NC(=O)c5cc6ccccc6s5)C1	DVD	n-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide
+C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C)C	DVE	obtusifoliol
+C1[C@H]([O+]2[V](O[V]2(O1)(O)O)(O)O)CO	DVG	divanadate glycerol ester
+C=C[C@@H]1CC[C@@H]([C@H](C1)O)O	DVH	(1s,2s,4r)-4-ethenylcyclohexane-1,2-diol
+CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CCO)NC(=O)c5cc6ccccc6s5)C1	DVJ	n-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide
+C1CN(CCN1CCCCN)CCO	DVK	2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol
+Cc1cc(c(c(c1)c2nc3ccccc3s2)OCc4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)C=O	DVL	3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde
+CC(=O)N[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H](CC=C(O2)CN)N)O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N	DVM	acetylsisomicin
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)OP(=O)(O)O)N	DVN	[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5s)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N	DVP	methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)piperidine-4-carboxylate
+C1CN(CCN1CCO)CCO	DVQ	2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
+c1ccn2c(c1)cc(c2N/C(=C(\CS(=O)=O)/C=CC(=O)N)/C(=O)O)C=O	DVR	3-(4-carbamoyl-1-carboxy-2-methylsulfonyl-buta-1,3-dienylamino)-indolizine-2-carboxylic acid
+[O-][V-]1234O[V-]567(O1891[V-]%10(O2)(O5)([O+]2[V-]858(O3)O[V-]3%11%12([O+4]55%13%14[V-]22(O3)([O+]%10[V-]953([O+4]6)O[V-]%13(O%11)(O2)(O[V-]%142(O%12)([O+]8[V-]1([O+]32)(O4)(O7)[O-])[O-])[O-])[O-])[O-])[O-])[O-]	DVT	decavanadate
+CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45(CC5)[N]6=CN(C(=C6)c7cn(nn7)[C@@H]8[C@H]([C@H]([C@H]([C@H](O8)O)O)O)O)C)C	DVW	five-coordinate platinum(ii) compound
+[B-]1(n2c(ccc2CCC(=O)OC[C@H](c3nc(c(o3)Br)c4ccc(cc4)C(F)(F)F)Oc5ccc(c(c5F)C(=O)N)F)C=C6[N+]1=C(C=C6C)C)(F)F	DVX	[(2r)-2-[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]-2-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate
+c1nc(c2c(n1)n(c(n2)SCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	DVZ	[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-(2-hydroxy-2-oxoethylsulfanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium
+Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C	DW0	1,1'-propane-1,3-diylbis(3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione)
+C1=CC(C=C1)[Ru@]2(N3C=CC=C4C3=C5[N]2=C6C=CC(=CC6=C5C7=C4C(=O)NC7=O)O)C#O	DW1	ruthenium pyridocarbazole
+c1cc2c(cc1O)c3c4c(c5c6c3n2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7C8[CH]9=[CH]12)C#O)C(=O)NC4=O	DW2	ru-pyridocarbazole-2
+C(C=O)O	DW3	2-oxidanylethanal
+c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO	DW4	benzyl [(8s,11s,14s)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate
+CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45([C][C]5)C)C	DW5	five-coordinate platinum(ii) compound
+c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO	DW7	benzyl [(9s,12s,15s)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate
+CCCNC(=O)CCOCCOCCOCCNC(=O)c1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O	DW8	[2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-(propylamino)propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid
+c1c(cc2c(c1O)nc(s2)N)SSc3cc(c4c(c3)sc(n4)N)O	DW9	2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol
+COc1ccc(cc1)[C@]2(COC(=N2)N)c3cccc(c3)c4cccnc4F	DWA	(4r)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
+COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cc(ccc5F)Cl	DWB	(4s)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine
+c1cc2c3c(c4c5cc(ccc5n6c4c2[n+](c1)[Os]67891(C2C7=C8C9=C12)C#[O+])O)C(=O)NC3=O	DWC	pyridocarbazole cyclopentadienyl os(co) complex
+CC(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5	DWD	(4s)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine
+c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCOCCOCCOCCC(=O)NCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O	DWE	[2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-[2-[3-[2-[2-[2-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid
+CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F	DWF	n-(3-fluoro-4-{[2-({3-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
+C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(CC(C1=O)C#N)c4ccccc4)Nc5ccccc5	DWG	(6as,7s,9s,10as)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile
+COC(=O)CNc1nc(nc(n1)Cl)Nc2ccc(cc2)S(=O)(=O)N	DWH	methyl n-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate
+C[C@H]1[C@@H]2CCc3cn(nc3[C@]2(C[C@H](C1=O)C#N)c4ccccc4)C(=O)c5ccccc5	DWJ	(5as,6s,8s,9as)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2h-benzo[g]indazole-8-carbonitrile
+c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCCOCCOCCOCCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O	DWK	[2-[2-oxidanylidene-2-[[3-[3-[2-[2-[3-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid
+C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5	DWM	(7r)-1-[(4-fluorophenyl)methyl]-n-{3-[(1r)-1-hydroxyethyl]phenyl}-7-methyl-5-(1h-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine-3-carboxamide
+C[C@@H]1C(=O)[C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N	DWN	(2r,4s,6r)-4-amino-6-methyl-5-oxotetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@@H](C1=O)C#N)C)Nc4ccccc4	DWP	(6as,7s,9r,10as)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile
+c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(=O)NCCOCCCCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O	DWQ	[2-[2-oxidanylidene-2-[[3-[2-[5-[3-oxidanylidene-3-[3-[2-[2-[3-[3-[2-[2-[2-[[3-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylamino]propoxy]pentoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid
+C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@H](C1=O)C#N)c4cccc(c4)C(=O)O)Nc5ccccc5	DWS	3-[(6as,7s,9s,10as)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5h)-yl]benzoic acid
+Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F	DWT	4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CN1CCN(CC1)C2=NC(=O)/C(=C/c3ccc(c(c3)Cl)Cl)/S2	DWV	(5z)-5-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5h)-one
+B(c1ccccc1CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O	DWW	[2-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid
+B(c1cccc(c1)CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O	DWX	[3-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid
+B(c1ccc(cc1)CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O	DWY	[4-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid
+C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C	DWZ	(2s,3r,4s)-4-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=O)NC3=O)COP(=O)(O)O)O	DX	[(2~{r},3~{s},5~{r})-5-[2,4-bis(oxidanylidene)imidazo[1,2-a][1,3,5]triazin-8-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+C[C@]1(CCCC2(C1CCC34C2CCC(C3)(C(=C)C4)OC5[C@H](C(C([C@@H](O5)CO)O)O)O)C)C(=O)O	DX0	steviolmonoside
+CC(C)c1c(nc2c(n1)c(nc(n2)N)N)C(C)C	DX1	6,7-bis(1-methylethyl)pteridine-2,4-diamine
+c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N	DX2	6-phenylpteridine-2,4,7-triamine
+CC1=Nc2c(nc(nc2NC1(C)C)N)N	DX3	6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine
+c1[nH]c2c(n1)C(=S)NC(=N2)N	DX4	2-amino-1,9-dihydro-6h-purine-6-thione
+C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O	DX5	d-xylitol-5-phosphate
+c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N	DX6	2-amino-5-(2-phenylethyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+c1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N	DX7	2-amino-4-oxo-6-phenyl-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+COc1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N	DX8	2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+[H]/N=C(\C)/N1CC[C@@H](C1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)/C(=N/[H])/N)C(=O)O	DX9	(2s)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3r)-1-[(1z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid
+CC[C@@H](C)c1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC	DXA	1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-(sec-butyl)-anthracene
+Cc1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@H](C)O)O)OC	DXB	1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-methyl-anthracene
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	DXC	(3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid
+C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O	DXD	(1s,3s,4r)-4-(phosphooxymethyl)-cyclopentane-1,3-diol
+COCCOC	DXE	1,2-dimethoxyethane
+CO/N=C(/c1ccco1)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)O	DXF	(2r)-5-[(carbamoyloxy)methyl]-2-[(1r)-1-{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C([C@@H]([C@H](C(=O)[O-])O)O)[C@@H](C(=O)[O-])O	DXG	4-deoxyglucarate
+Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F	DXH	4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CC(=CCC/C(=C/C=C/C(=O)C)/C)C	DXJ	(3e,5e)-6,10-dimethylundeca-3,5,9-trien-2-one
+Cn1c2c(cn1)c(nc(n2)c3cccnc3)N	DXK	1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine
+[C@@H](C([C@@H](C(=O)O)O)O)(C(=O)O)O	DXL	d-xylaric acid
+Cc1cc(nn1C)NC2=CC(=NN(C2=O)C)c3ccc(c(c3F)NC(=O)c4cc5c(s4)CCCC5)F	DXM	n-(3-{5-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
+C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O	DXN	(1r,3s,4r)-4-(phosphooxymethyl)-cyclopentane-1,3-diol
+Cc1cccc(c1c2nc(nc(n2)SC)N3CCNCC3)C	DXO	2-(2,6-dimethylphenyl)-4-(methylsulfanyl)-6-(piperazin-1-yl)-1,3,5-triazine
+CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O	DXP	1-deoxy-d-xylulose-5-phosphate
+C[N@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C	DXQ	7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-n-(1-methylpiperidin-4-yl)quinazolin-4-amine
+CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Br)c(ncn2)N	DXR	3-(3-bromobenzyl)-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCNS(=O)(=O)c4cccc5c4cccc5N(C)C	DXS	2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide
+C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O	DXT	(4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
+C[C@@H]1[C@@H](C(NO1)c2c(cccc2Cl)Cl)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(O)O	DXU	(3r,4r,5r)-3-(2,6-dichlorophenyl)-n-{(1r)-1-[(2r,4s)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl} -5-methyl-1,2-oxazolidine-4-carboxamide
+c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O	DXV	2-cyclopentyl-4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccco3	DXW	6-{[(3s,4s)-4-{2-[(furan-2-ylmethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC(C(=O)O)C(=O)O	DXX	methylmalonic acid
+CS[C@@H](CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O	DXY	n-({4-[(1s)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-l-glutamic acid
+CS[C@H](CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O	DXZ	n-({4-[(1r)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-l-glutamic acid
+[Dy+2]	DY	dysprosium ion
+C[C@H](c1ccc(cc1)C(F)(F)F)n2c3c(cc(cc3S(=O)(=O)C)F)c4c2[C@@H](CCC4)CC(=O)O	DY1	[(1s)-6-fluoro-8-(methylsulfonyl)-9-{(1r)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1h-carbazol-1-yl]acetic acid
+Cc1c(c2ccc(cc2nc1c3cc(cnc3)c4ccc(cc4)OC(F)(F)F)OC)O	DY2	7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol
+Cc1cc(cc(c1C)C)n2c(nnc2SC)CCCO	DY3	3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol
+Cc1cc(nn1C)NC2=CC(=NNC2=O)c3ccc(c(c3F)NC(=O)c4cc5c(s4)CCCC5)F	DY4	n-(3-{5-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
+Cc1ccc2c(c1[N+](=O)[O-])C(=O)C[C@H](O2)C(F)(F)F	DY5	(2~{s})-6-methyl-5-nitro-2-(trifluoromethyl)-2,3-dihydrochromen-4-one
+c1ccc2c(c1)CC[N@@](C2)S(=O)(=O)c3cccc(c3)C(=O)Nc4ccccc4C(=O)O	DY6	2-({[3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
+Cc1cc(nc([nH+]1)N)Nc2cc(cc(c2)Br)Br	DY7	2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium
+c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCOCC2	DY8	morpholinohistidine
+C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O	DY9	fluostatin c
+C(=C(/C(=O)O)\N)\C(=O)O	DYA	didehydroaspartate
+B1(OCCO1)OCCCC[NH3+]	DYB	4-(1,3,2-dioxaborolan-2-yloxy)butan-1-aminium
+c1cc(ccc1c2csc3n2ccn3)Br	DYC	3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole
+C[C@@H](CC[C@H](C)O)O	DYD	(2s,5s)-hexane-2,5-diol
+CCCCC/C=C/C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	DYF	[(3~{r})-2,2-dimethyl-4-[[3-[2-[[(~{e})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC(=O)O)N)CC(=O)O)O	DYG	(3s)-3-amino-3-[(4z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-2-yl]propanoic acid
+CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O	DYH	(2r,3ar,6s,7r,7ar)-2-[(2s)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2h-furo[3,2-b]pyran-2-carboxylic acid
+C/C(=C\C(=O)C(=O)O)/N1CCC[C@H]1C(=O)O	DYJ	1-[(2e)-4-carboxy-4-oxobut-2-en-2-yl]-l-proline
+CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3nccc(n3)c4c[nH]c5c4ccnc5	DYK	n-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1h-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
+C=CC[C@H](C(=O)O)N	DYL	(2r)-2-aminopent-4-enoic acid
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1OC[C@@H](CO)O)C(=O)O)O	DYM	(2r)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)CO[P@](=O)(O)O[C@H]4C[N@@](C[C@@H]4CO[P@@](=O)(O)OCCCO)Cc5c[nH]c6c5ncnc6N)O[P@](=O)(O)OCCCCO	DYN	5'-o-[(s)-{[(3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[(s)-hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)pyrrolidin-3-yl]oxy}(hydroxy)phosphoryl]-3'-o-[(r)-hydroxy(4-hydroxybutoxy)phosphoryl]-2'-o-methylguanosine
+CCC(=O)C1CCN(CC1)Cc2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N	DYP	1-[1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzyl)piperidin-4-yl]propan-1-one
+c1ccc2c(c1)c3ccccc3n2CC(=O)Nc4c(cccc4Cl)C#N	DYR	2-carbazol-9-yl-n-(2-chloranyl-6-cyano-phenyl)ethanamide
+c1c(cc(c(c1O)O)SC[C@@H](C(=O)O)N)CCN	DYS	s-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-l-cysteine
+c1c([nH]cn1)C[C@@H](C(=O)O)Cl	DYT	(2~{s})-2-chloranyl-3-(1~{h}-imidazol-5-yl)propanoic acid
+Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(c(c4)C)C	DYU	~{n}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide
+COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccc(cc5Cl)C(=O)N6CCC[C@H]6C(=O)O	DYV	1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5h)-yl]methyl}benzene-1-carbonyl)-l-proline
+C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)N)C(=O)O	DYW	(2~{s})-1-[(2~{s})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid
+COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)C4(CCCC4)c5ccc(cc5)Cl	DYX	1-(4-chlorophenyl)-n-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
+c1cc(c(c(c1)F)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)F	DYY	1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
+CCn1cnc2c1C(=O)NC(=O)N2Cc3ccccc3	DYZ	7-ethyl-3-(phenylmethyl)purine-2,6-dione
+C1[C@@H]([C@H](O[C@H]1C2=CC(=C(NC2=O)N)[N+](=O)[O-])COP(=O)(O)O)O	DZ	[(2~{r},3~{s},5~{r})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{h}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+COc1ccc2c(c1)C/C(=C\C3CCN(CC3)Cc4ccccc4)/C2=O	DZ0	(2~{e})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{h}-inden-1-one
+Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C	DZ1	n-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide
+c1cc(c(cc1Cl)C(=O)Nc2cc(c(c(c2)Br)O)Br)Cl	DZ2	2,5-dichloro-n-(3,5-dibromo-4-hydroxyphenyl)benzamide
+Cc1cc(cc(c1O)C)C(=O)Nc2cc(c(c(c2)Br)O)Br	DZ3	n-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N	DZ4	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
+c1cc(ccc1/C=C(/C(=O)O)\S)F	DZ5	(2z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid
+Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(C)C)C#Cc4cnc5n4cc(nc5)c6ccc(cc6)N	DZ6	3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{n}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide
+COc1cc2c(cc1OC)C(=O)/C(=C/C3CCN(CC3)Cc4ccccc4)/C2	DZ7	(2~{e})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{h}-inden-1-one
+CC(C)NCCCn1c(nc2c1nc(nc2N)F)Cc3cc4c(cc3I)OCO4	DZ8	2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine
+c1cc(cc(c1)F)NC(=O)c2c(c3ccc(nc3s2)c4cccs4)N	DZ9	3-amino-n-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
+CN(C)NC(=O)CCC(=O)O	DZA	daminozide
+c1ccc(cc1)C(CNC(=O)c2c(nsn2)O)c3ccccc3	DZB	n-(2,2-diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide
+Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(F)(F)F)C#Cc4cnc5n4ccnc5	DZC	3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{n}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
+c1cc(cc(c1)C(=O)N)CN2C[C@@H]([C@H](C2)O)CO[P@@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	DZD	5'-o-[(r)-{[(r)-{[(3r,4r)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
+CC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C	DZE	methyl (3s)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N	DZF	5-deazafolic acid
+COc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4	DZG	1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
+CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)CNS(=O)(=O)c4ccc5c(c4)CCCC(=O)N5	DZH	~{n}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
+c1cc([nH]c1)/C=N/NC(=O)c2cc(c(c(c2)O)O)O	DZI	3,4,5-tris(oxidanyl)-n-[(e)-1h-pyrrol-2-ylmethylideneamino]benzamide
+c1ccc(cc1)CC2=C(N=C3N(C2=O)c4ccc(cc4S3)Cl)O	DZJ	3-benzyl-8-chloro-2-hydroxy-4h-pyrimido[2,1-b][1,3]benzothiazol-4-one
+c1ccc(cc1)CS[C@@H](CC(=O)O)C(=O)O	DZK	(2~{s})-2-(phenylmethylsulfanyl)butanedioic acid
+CCc1nc(c(s1)C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)[C@H]5CCCO5	DZL	2-ethyl-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-4-[(2r)-oxolan-2-yl]-1,3-thiazole-5-carboxamide
+Cc1cnc(c2c1n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	DZM	3-deaza-3-methyladenine
+c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O	DZN	daidzin
+c1cc(cc(c1)N)c2cnn3c2nc(cc3)Nc4cccc(c4)Cl	DZO	3-(3-aminophenyl)-n-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
+CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl	DZP	7-chloro-1-methyl-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one
+CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(cc(c2)Cl)F	DZR	~{n}-[[1-[2-(~{tert}-butylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3-chloranyl-5-fluoranyl-benzamide
+c1ccc(c(c1)CN2c3nnc(n3-c4ccccc4C2=O)c5cc(ccc5O)C(=O)O)Cl	DZS	3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid
+CCCCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	DZT	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol
+Cc1ccc2c(c1)nc(n2c3cccc(c3)OCCCN4CCN(CC4)C)/C=C/c5cccc6c5nccc6	DZU	8-[(e)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline
+COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccccc5Cl	DZV	4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4h)-one
+CCCCCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	DZW	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol
+C1C[C@H]2[C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O	DZX	deoxy-galacto-noeurostegine
+Cc1c(nc(s1)C)CC(=O)O	DZY	(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid
+COP(=S)(O)OC	DZZ	o,o-dimethyl hydrogen thiophosphate
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@H]([C@@H]([C@@H]([C@H]4O)O)O)Nc6c7c(ncn6)n(cn7)[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O	E	n-((-)-(7s,8r,9s,10r)[7,8,9-trihydroxy-7,8,9,10-tetra hydrobenzo[a]pyren-10-yl])-2'-deoxy-adenosine-5'-monophosphate
+C[N+](C)(C)Cc1ccccc1	E00	benzyltrimethylammonium
+C1CC2(CCC1N)C3CC4CC(C3)CC2C4	E01	(1r,1's,3's,5's,7's)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine
+c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl	E02	5-(1h-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
+c1cc2c(cc1F)[nH]cc2C[C@H](C(=O)O)N	E03	6-fluoro-d-tryptophan
+CC1(CC[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)C(=O)N)C)OC1=O)C	E04	3-carboxamido-1,3,5(10)-estratrien-17(r)-spiro-2'(5',5'-dimethyl-6'oxo)tetrahydropyran
+CC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	E05	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol
+[B-]([C@H](C)NC(=O)c1c(cccc1F)F)(O)(O)O	E06	[(1r)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron
+B([C@@H](C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O	E07	trihydroxy-[(1s)-1-[[2-(phenylmethyl)phenyl]carbonylamino]ethyl]boron
+[B-]([C@@H](C)NC(=O)c1ccccc1C(C)C)(O)(O)O	E08	trihydroxy-[(1s)-1-[(2-propan-2-ylphenyl)carbonylamino]ethyl]boron
+Cn1c(c(c2c1C(=O)C=C(C2=O)N3CC3)CO)CCCO	E09	3-hydroxymethyl-5-aziridinyl-1methyl-2-[1h-indole-4,7-dione]-propanol
+CCCCS(=O)(=O)Nc1ccc2c3c1cccc3C(=O)N2CC	E0A	n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4CCN(CC4)C(=O)C	E0B	n-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4cc(ccc4OC)Br	E0C	5-bromo-n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
+CC(=O)c1cn(c2c1cccc2)CC(=O)N3CCC[C@@H](C3)C(=O)O	E0D	(3s)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid
+CCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	E0E	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol
+CN(Cc1ccccc1NC(=O)C2=Cc3ccccc3NC2=O)C4CCCCC4	E0F	~{n}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{h}-quinoline-3-carboxamide
+CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C	E0G	4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide
+c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)Cl	E0H	5-(3,4-dichlorophenyl)furan-2-carboxylic acid
+Cc1cc(ccc1OCc2ccccn2)OC	E0J	2-[(4-methoxy-2-methylphenoxy)methyl]pyridine
+Cc1c(c(on1)C)c2ccc3c(c2)O[C@@H](C(=O)N3)CC4CC4	E0K	(2r)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4h-1,4-benzoxazin-3-one
+CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)C(=O)O	E0L	3-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid
+CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)c4[nH]nnn4	E0M	2-amino-7-(propan-2-yl)-3-(1h-tetrazol-5-yl)-5h-[1]benzopyrano[2,3-b]pyridin-5-one
+CN1c2ccc(cc2C[C@@H]1C(=O)N[C@H](C3CCCCC3)C(=O)O)Cl	E0N	(2~{r})-2-[[(2~{r})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid
+CC(C)(C(=O)O)Oc1ccc(cc1)Cl	E0O	2-(4-chloranylphenoxy)-2-methyl-propanoic acid
+CCOC(=O)c1cc2c(nc1N)Oc3ccc(cc3C2=O)C(C)C	E0P	ethyl 2-amino-5-oxo-7-(propan-2-yl)-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylate
+Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)CC(=O)O	E0Q	2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid
+CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O	E0R	4-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid
+CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)Nc4[nH]nnn4	E0S	2-amino-5-oxo-7-(propan-2-yl)-n-(1h-tetrazol-5-yl)-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxamide
+c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)O	E0T	5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid
+CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)CC(=O)O	E0U	2-[3-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid
+CNc1ccc2c3c(c(nc(n3)NC)N4CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)sc2n1	E0V	4-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
+[H]/N=C(\C)/N1CC[C@H](C1)SC2C[C@@H](NC2C(=O)O)[C@H](CO)[C@@H](C)O	E0Y	(3s,5r)-5-[(2r,3r)-1,3-dihydroxybutan-2-yl]-3-({(3r)-1-[(1e)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-l-proline
+COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCNc3c4ccccc4nc5c3ccc(c5)Cl	E0Z	2-[1-[2-[(3-chloranylacridin-9-yl)amino]ethyl]-1,2,3-triazol-4-yl]-~{n}-[(3-methoxy-4-oxidanyl-phenyl)methyl]ethanamide
+C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4	E10	(s,s)-(-)-n,n'-di-5'-[5',6',7',8'-tetrahydro- 2'(1'h)-quinolynyl]-1,10-diaminodecane dihydrochloride
+CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OC	E11	n~4~-(1-benzylpiperidin-4-yl)-n~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine
+C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4	E12	(s,s)-(-)-n,n'-di-5'-[5',6',7',8'-tetrahydro- 2'(1'h)-quinolynyl]-1,12-diaminododecane dihydrochloride
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)OC)O)C(=O)NCC(C)(C)C)C	E13	n-[(2s,3s)-4-{(4r)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-n~2~-{(2s)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-l-valinamide
+CC(C)CNC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C	E14	(4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-n-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
+C[C@H](C(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C	E15	(4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-n-[(2r)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
+C[C@H](C(C)(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C	E16	(4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-n-[(2r)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+C[C@H](C(C)(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)CN4CCOCC4)O)(C)C	E17	n-{(1s,2s)-1-benzyl-3-[(4r)-5,5-dimethyl-4-{[(1r)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-n~2~-{(2s)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-l-valinamide
+CN(C)CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1	E18	2-(dimethylamino)ethyl (1z)-2-phenyl-n-(sulfooxy)ethanimidothioate
+C#Cc1cccc(c1)Nc2c3c(cncn3)c4ccc(cc4n2)C(=O)O	E1B	5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid
+CCc1c(c(c(n1C)CC)S(=O)(=O)N)C(=O)O	E1C	2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid
+C[C@@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)C	E1D	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5h)-one
+Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N)C	E1E	2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N	E1F	2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
+c1cc(cc(c1)S(=O)(=O)N)C(=O)CSc2ncccn2	E1G	3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
+[H]/N=C\C	E1H	ethanimine
+COc1cc2c(cc1OCCN)nc(nc2NCCCNC(=O)C=C)N3CCCC3	E1J	n-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide
+C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl	E1K	6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine
+c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=S)Nc4ccc(cc4)OC(F)(F)F	E1L	n-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide
+C[C@@H](c1c(ccc(c1Cl)N)Cl)Oc2ccc3c(c2)c(c(cn3)/C=C/C(=O)O)C4CC4	E1M	(2e)-3-{6-[(1s)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid
+CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4[n+]3C)Cl)N)[C@@H](C2)C1	E1N	12-amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CS)C(=O)O)O	E1O	(2r)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid
+CCOC(=O)C(=O)N1CCCCC1	E1P	ethyl oxo(piperidin-1-yl)acetate
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COC(=O)C)C(=O)O)O	E1R	(2s)-3-acetyloxy-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid
+Cc1ccc(s1)c2ccc(cc2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N	E1S	n~2~-{3-[4-(5-methylthiophen-2-yl)phenyl]propanoyl}-l-alpha-glutamine
+c1cc2ccc(nc2nc1)C(=O)O	E1T	1,8-naphthyridine-2-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COP(=O)(O)O)C(=O)O)O	E1U	(2s)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid
+Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)Cc3[nH]nnn3	E1W	6-chloranyl-5,7-dimethyl-4-(1~{h}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one
+CCN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC1=O	E1X	phosphoric acid mono-[5-(1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-9-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]ester
+C[C@@H](/C=C(\C)/C=C/C(=O)NO)C(=O)c1ccc(cc1)N(C)C	E1Z	s-trichostatin a
+COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4	E20	1-benzyl-4-[(5,6-dimethoxy-1-indanon-2-yl)methyl]piperidine
+CC[C@H]1/C=C/C=C/C[C@H]([C@@H]([C@@](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](/C=C/C(=O)O[C@@H]2[C@@H]([C@H](C[C@H]1O)O[C@@]3([C@H]2C)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)C)O)C)C)O)C)(C)O)O)C	E21	21-hydroxy-oligomycin
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCCNC2=O)[C@H](C#N)O)NC(=O)/C=C/c3ccccc3	E22	(2~{s})-~{n}-[(1~{r},2~{s})-1-cyano-1-oxidanyl-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{e})-3-phenylprop-2-enoyl]amino]propanamide
+CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F	E23	n-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide
+c1ccc(c(c1)C(=O)NCc2ccc(cc2Cl)Cl)C(F)(F)F	E24	n-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide
+CCNc1cc\2c(c(c1)O)C(=O)O[C@H]([C@@H](/C=C\C(=O)[C@H]([C@H](C/C=C2)O)O)C)C	E26	(4~{s},5~{r},6~{z},9~{s},10~{s},12~{e})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
+c1ccc2c(c1)c3c(cn2)nc([nH]3)SCC(=O)c4ccc(c(c4)S(=O)(=O)N)Cl	E27	2-chloro-5-[(1h-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide
+c1cc2c(cc1CNC(=O)c3cc(c[nH]3)c4c(cn[nH]4)c5ccc(c(c5)C(F)(F)F)CN)CCO2	E28	4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}-n-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1h-pyrrole-2-carboxamide
+c1cc(c(cc1Cl)/C=C/C(=O)O)n2cnnn2	E29	(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoic acid
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O	E2B	3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
+CCN(CC)CCCCCN1c2ccccc2Oc3c1cc(cc3)Cl	E2C	5-(2-chloranylphenoxazin-10-yl)-~{n},~{n}-diethyl-pentan-1-amine
+c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC4CCNCC4	E2F	2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine
+Cc1nnc(n1c2ccccc2CNC(=O)C)CNC(=O)C(N)O	E2G	(2r)-n-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4h-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide
+CCCCc1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N	E2I	4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(c4ccc(cc4)F)c5ccc(cc5)F)CC3	E2J	6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one
+c1nc(c2c(n1)n(c(n2)SCCCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N	E2K	4-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid
+c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC[C@@H]4CCCNC4	E2L	2-chloranyl-10-[3-[(3~{s})-piperidin-3-yl]propyl]phenoxazine
+c1ccc(c(c1)OCC2CCC(CC2)C(=O)O)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)\C=C\C(=O)N4CCOCC4	E2M	cis-4-{[2-({4-[(1e)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid
+Cn1c(c(c(n1)O)C(=O)O)COc2cccc(c2)C(F)(F)F	E2N	1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid
+c1cc2c(cc1Cl)N(c3ccncc3O2)CCC[C@@H]4CCCNC4	E2O	7-chloranyl-5-[3-[(3~{s})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine
+CCCCC[C@H](\C=C\C1=C(C(=O)CC1)C\C=C/CCCC(=O)O)O	E2P	prostaglandin b2
+c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2NC(=O)C(=O)N3)[N+](=O)[O-]	E2Q	6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide
+c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CC4CCC(CC4)N	E2R	4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine
+CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)C4=C(ON(C4=O)C)C)C(=O)C	E2T	~{n}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
+c1cc2c(cc1Cl)N(c3ccncc3O2)CCC4CCN(CC4)CCN	E2U	2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine
+CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](C)OC(=O)CCCCCCCCCCCCCCC	E2V	(2r)-2-(hexadecanoyloxy)propyl nonadecanoate
+c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)CNO)O	E2W	6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol
+c1cncc2c1N(c3cc(c(cc3O2)N)Cl)CCC[C@@H]4CCCNC4	E2X	7-chloranyl-5-[3-[(3~{s})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine
+c1cc(cc(c1)F)CCNCCc2ccnc(n2)n3ccnc3	E2Z	2-(3-fluorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine
+c1cc(ccc1c2[nH]nnn2)N	E30	4-(1h-tetrazol-5-yl)aniline
+CCc1cc(nc(n1)c2cccc(c2)Cl)Cc3ccc(cc3)CC(=O)N	E31	2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide
+c1cn-2c(n1)C(=O)N(c3c2cc(c(c3)N4CC[C@@H](C4)N)F)C5CC5	E32	7-[(3~{s})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one
+CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@@H]3c4ccc(cc4CCN3C2)OC	E33	(8~{a}~{r},12~{a}~{s},13~{a}~{r})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine
+CCOC(=O)c1ccc(c(c1)N)N	E34	ethyl 3,4-diaminobenzoate
+CCOC(=O)c1cc(cc(c1)O)O	E35	ethyl 3,5-dihydroxybenzoate
+c1cc(c(cc1C(=O)CSc2[nH]c3cc4c(cc3n2)OCCO4)S(=O)(=O)N)Cl	E36	2-chloro-5-[(6,7-dihydro-1h-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)N	E37	n~2~-[4-(4-phenylthiophen-2-yl)benzoyl]-l-alpha-glutamine
+c1cc(c(cc1C(=O)CSc2[nH]c3ccc(cc3n2)Br)S(=O)(=O)N)Cl	E38	5-{[(5-bromo-1h-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
+CC(C)N1c2cccc(c2C[C@H]1c3cnc[nH]3)F	E39	(2~{s})-4-fluoranyl-2-(1~{h}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole
+c1cc(ccc1n2ccc(n2)C3[C@H]4[C@@H]3CN(C4)C(=O)ON5C(=O)CCC5=O)F	E3A	1-({(1r,5s,6r)-6-[1-(4-fluorophenyl)-1h-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione
+CCOc1ccc(cc1c2cccc(c2)N3CCCC(C3)(F)F)C(=O)C	E3B	1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone
+CCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	E3C	3-ethyl, cytidine-5'-monophosphate
+Cn1c2ccccc2[n+](c1[Ru](Cl)Cl)C	E3D	dichloro(1,3-dimethyl-1h-benzimidazol-3-ium-2-yl)ruthenium
+c1cnccc1c2cc3c(cc2F)-n4ccnc4C(=O)N3C5CC5	E3E	5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one
+CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3c4ccc(cc4CCN3C2)OC	E3F	(8~{a}~{r},12~{a}~{s},13~{a}~{s})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	E3G	estrone beta-d-glucuronide
+CCN1C(=O)C(=C(O1)C)c2cc(cc(c2)NC(=O)c3ccco3)c4cc(ccc4OCC)C(=O)C	E3H	~{n}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
+c1nc(c2c(n1)n(c(n2)SCC(=O)NCCS)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	E3K	azanylidene-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium
+CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)S(=O)(=O)O)N	E3M	(1r)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-d-glycero-d-galacto-octitol
+CC(C)S(=O)(=O)N1CCC2(CC1)C[C@H](CCO2)NC(=O)NCc3ccc(cc3)OC(F)(F)F	E3N	1-[(4~{s})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@H]2O)O)O	E3O	(16alpha,17alpha)-estra-1,3,5(10)-triene-3,16,17-triol
+c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N	E3P	n~2~-[3-(1,1':4',1''-terphenyl-4-yl)propanoyl]-l-alpha-glutamine
+CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCc4ccccc4OC)OC)C	E3Q	1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1h-pyrazol-5-one
+CC(C)(C)c1ccc(cc1F)NC(=O)[C@H]2c3ccc(cc3CCN2C(=O)CC4=CC(=O)NO4)OC	E3S	(1r)-n-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
+CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(noc4C)C)C(=O)C	E3T	~{n}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
+c1cc(c(c2c1C3=C4C=C(C(=O)C=C4C[C@@]3(CO2)O)O)O)O	E3U	(6ar)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one
+CC1(C=Cc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)C5CC(C5)CC(=O)O)OC)F)C	E3V	{cis-3-[(5r)-5-[(7-fluoro-1,1-dimethyl-1h-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5h)-carbonyl]cyclobutyl}acetic acid
+CN1CCC(=CC1)c2ccc(cc2)O	E3X	4-(1-methyl-3,6-dihydro-2h-pyridin-4-yl)phenol
+COc1ccc2c(c1)CCCN2c3c4cccnc4nc(n3)Cl	E3Y	2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2h)-yl)pyrido[2,3-d]pyrimidine
+C=CC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccccc3)Cl	E3Z	~{n}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide
+CC(C)ON([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c3ccc(cc3)c4ccc(cc4)OC	E40	(2r)-4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-n-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide
+CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1	E41	n-hydroxy-n^2^-(3-methylbutyl)-n^2^-(naphthalen-2-ylsulfonyl)-d-valinamide
+c1cc(cc(c1)c2cccc(c2)O)C[C@H](C(=O)O)N	E42	(r)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid
+O=[W]1234O[W]567(=O)[OH+2]1[W]8(=O)(O2)(O5)O[W]912(=O)O[W]5%10(=O)(O3)[O+]9[W]3(=O)(O5)(O1)O[W]159(=O)O[W]%11(=O)(O4)(O%10)[OH+2]1[W](=O)(O%11)(O6)(O5)O[W]14(=O)(O7)O[W]5(=O)(O8)(O2)[O+]1[W](=O)(O9)(O4)(O5)O3	E43	12-polytungstate
+COc1ccc2c(c1)CCCN2c3c4c(cccn4)nc(n3)Cl	E44	2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2h)-yl)pyrido[3,2-d]pyrimidine
+c1cc(cc(c1)OC(F)(F)F)n2c3c(ccc(n3)NCC4CCNCC4)nn2	E46	n-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNc4[nH]c5cc6c(cc5n4)C(=O)NC(=N6)N)C	E48	6-azanyl-2-[[(1~{r},2~{s},6~{s},9~{r})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
+Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl)C	E49	2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)C)C(=O)N3)O	E4A	(4s)-19-acetyl-4-[(1r)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+CCOC(=O)c1ccc(cc1)O	E4B	ethyl 4-hydroxybenzoate
+c1cc(ccc1[C@@H]2[C@@H](Oc3ccc(cc3S2)O)c4ccc(cc4)OCCN5CCCCC5)O	E4D	(2s,3r)-2-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-2,3-dihydro-3-(4-hydroxyphenyl)benzo[b][1,4]oxathiin-6-ol
+CO[C@H]1[C@@H]([C@@H]([C@H](O1)CNc2[nH]c3cc4c(cc3n2)C(=O)NC(=N4)N)O)O	E4E	6-azanyl-2-[[(2~{r},3~{s},4~{r},5~{r})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
+c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCN	E4F	5-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
+CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)OCC(=O)C)C(=O)N2)O	E4G	(4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)C)C	E4H	(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione
+CCCCNc1cc(cc(n1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)NCCCC)O	E4J	2-(butylamino)-n-[(2s,3s,5r)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide
+Cc1ccccc1c2cccc3c2[nH]c(c3CCCOc4cccc5c4CCCC5)C(=O)O	E4K	7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{h}-indole-2-carboxylic acid
+CCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCC	E4L	ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate
+C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C	E4M	1-{4-[(6s,6ar,7r)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8h-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-o-{5-o-[(s)-{[(1s)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-ribitol
+CC[N+](CC)(CC)CC	E4N	tetraethylammonium ion
+C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)N)O	E4O	(2s,3r)-2-azanyl-n-[(e)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide
+C([C@H]([C@H](C=O)O)O)OP(=O)(O)O	E4P	erythose-4-phosphate
+Cc1cc(nn1C)CSCc2c(c(n(n2)C)C)c3cccc4c3[nH]c(c4CCCOc5cccc6c5cccc6)C(=O)O	E4Q	7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxylic acid
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@]4(c5ccoc5)O)O)C)O	E4R	(3s,5r,8r,9s,10s,13s,14s,17s)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-3,14,17-triol
+COc1c(cc(cn1)c2ccc3c(c2)n(c(n3)N)c4ccc(cc4)N5CCOCC5)S(=O)(=O)Nc6ccccc6F	E4S	5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1h-benzimidazol-6-yl}-n-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
+CC1CC(CC(C1)(O)O)(O)O	E4T	5-methylcyclohexane-1,1,3,3-tetrol
+B([C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)c3cc(ccc3Cl)Cl)(O)O	E4U	[(1~{r})-1-[[(2~{s})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{h}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid
+c1c[nH]c2c1c(cc(n2)N)c3cnc(cn3)N	E4V	4-(5-aminopyrazin-2-yl)-1h-pyrrolo[2,3-b]pyridin-6-amine
+Cc1c-2c(nn1C)CSCc3cc(n(n3)C)CSc4cc5ccccc5c(c4)OCCCc6c7ccc(c2c7n(c6C(=O)O)C)Cl	E4W	azd5991
+C[C@H](c1cccc2c1cccc2)[C@@H](C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4)Br	E4X	4-bromo-n-((1s,2r)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide
+CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCN(C(=O)c2cc(cc(c2)OCC)C(=O)N1)CC)C)O	E4Y	(2r,4s)-n-butyl-4-[(4s,6r)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide
+c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O	E4Z	baloxavir acid
+CCc1cnc(nc1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl	E50	2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCc2cccc(c2)CS(=O)(=O)C[C@H](C(=O)N1)C)C)O	E51	(2r,4s)-n-butyl-4-[(5s,8s,10r)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide
+CC(CO)(CO)NC(=O)C12[CH]3=[CH]4[Ru]3156([CH]4=[CH]52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)N(C2=O)C)C=C(C=[N]61)F)O)C#O	E52	methylated ruthenium pyridocarbazole
+C[C@H]1CC[C@@H]2C[C@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@H]3CCCCN3C(=O)C(=O)[C@]1(O2)O)[C@@H](C)C[C@@H]4CC[C@H]([C@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC	E53	everolimus
+CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCCCC\C=C/CCCCCC)O)OCCCCCCCCCC	E55	3-o-decyl-2-deoxy-6-o-{2-deoxy-3-o-[(3r)-3-methoxydecyl]-6-o-methyl-2-[(11z)-octadec-11-enoylamino]-4-o-phosphono-beta-d-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-o-phosphono-alpha-d-glucopyranose
+c1cc(cc(c1)n2cc(cn2)c3c4cc(c(cc4[nH]n3)Cl)N[C@@H]5CCNC5)C#N	E56	3-[4-[6-chloranyl-5-[[(3r)-pyrrolidin-3-yl]amino]-1h-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile
+CC[C@@H](CO)Nc1ncc(c(n1)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl)C	E57	n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2s)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1h-pyrrole-2-carboxamide
+CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(cc2)S(=O)(=O)N	E59	4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+C[C@H]1C(=O)N[C@@H](Cc2cccc(c2)OCCCCCC(=O)N1C)[C@@H](CNCc3cccc(c3)C(C)C)O	E5A	(10s,13s)-13-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione
+CC[C@H]1CCCN(C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	E5C	(3r)-3-[[(3s)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+CCN1CCCCC[C@H](C[C@H](NC(=O)c2cccc(c2)C1=O)[C@@H](CNCc3cccc(c3)C(C)C)O)C	E5D	(9r,11s)-3-ethyl-11-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
+c1cc(c(cc1[C@H](C[NH3+])O)O)O	E5E	noradrenaline
+C(CCO)CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	E5G	5-hydroxypentyl alpha-d-glucopyranoside
+c1ccc(cc1)c2ccc(cc2)OCC(=O)NCCCN3CCCCC3	E5H	2-(4-phenylphenoxy)-~{n}-(3-piperidin-1-ylpropyl)ethanamide
+CN(C)C1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	E5J	5-chloro-n~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-n~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine
+CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccc(cc4)OC	E5K	1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone
+CCCCCCCCCCC(C)(C)C(=O)Nc1c(cc(cc1OC)OC)OC	E5L	2,2-dimethyl-n-(2,4,6-trimethoxyphenyl)dodecanamide
+C[C@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)C	E5M	(7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5h)-one
+C[C@H](CCC(=O)O)C(=O)O	E5N	(2~{r})-2-methylpentanedioic acid
+CCc1c2[n+](ccn1)[Cu-2]3([N+](=C2C)N=C(S3)N(C)C)Br	E5O	2-bromanyl-9-ethyl-~{n},~{n},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine
+C[C@@H]1CCCCCN(C(=O)c2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)c4ncco4)[C@H](C)c5ccccc5	E5P	(9r,11s)-11-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1r)-1-phenylethyl]-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
+Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3cccnc3)O	E5Q	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{r})-oxidanyl(pyridin-3-yl)methyl]phenol
+C[C@@H]1CCCN(C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	E5R	(3r)-3-[[(3r)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O	E5S	(3r)-3-({2-benzyl-6-[(3r,4s)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol
+Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](C3CC3)O	E5T	3-[(~{r})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
+COC(C(=O)O)C(=O)O	E5U	2-methoxypropanedioic acid
+COCc1cc2cc(c1)NCCCCOc3cccc(c3)C[C@H](NC2=O)[C@@H]([C@H]4CO[C@H](CN4)COC)O	E5V	(4s)-4-{(s)-hydroxy[(3r,6r)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+Cc1c(c(on1)C)c2cc(cc(c2)O)CN3CCC(CC3)(F)F	E5W	3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
+c1cc(ccc1CO)C(=O)O	E5X	4-(hydroxymethyl)benzoic acid
+CCCc1cc(n[nH]1)CNC[C@H]([C@@H]2C[C@@H](CCCCCCOCC(=O)N([C@H](C(=O)N2)C)C)C)O	E5Y	(5s,8s,10r)-8-[(1r)-1-hydroxy-2-{[(5-propyl-1h-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione
+c1cc(ccc1C(=O)NCCC(=O)/N=C/Cc2cnc[nH]2)S(=O)(=O)N	E5Z	~{n}-[3-[(~{e})-2-(1~{h}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide
+C1C(=O)NC(=S)S1	E60	2-sulfanylidene-1,3-thiazolidin-4-one
+C[C@@H]1CCOCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC	E61	(10s,12s)-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-7-oxa-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one
+C[C@@H]1CCC(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O[C@H]1C)O)NC)O)O	E62	(3s,4r,8s,9s,11e)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
+c1ccc(cc1)Nc2cnc(nc2Nc3cc(n[nH]3)C4CC4)Nc5ccc6c(c5)NNC6=O	E63	6-({4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3h-indazol-3-one
+CC(C)C[C@@H](C(=O)NCCCCNC(=[NH2+])N)NC(=O)[C@H](CC(=O)O)O	E64	n-[n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-butyl]-guanidine
+Cc1cc(nc(n1)SCC(=O)c2ccc(cc2)S(=O)(=O)N)C	E65	4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OCCCCCN	E67	7-[(5-aminopentyl)oxy]-n~4~-(1-benzylpiperidin-4-yl)-n~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine
+c1cc(ccc1C(=O)NCC(=O)NCCc2c[nH]cn2)S(=O)(=O)N	E68	~{n}-[2-[2-(1~{h}-imidazol-4-yl)ethylamino]-2-oxidanylidene-ethyl]-4-sulfamoyl-benzamide
+[H]/N=C(/N)\NCCCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)N[C@@H](CCCN/C(=N\[H])/N)C(=O)N1CCC[C@H]1C(=O)N)O	E69	n~2~-[(3s)-4-({(2r)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-l-arginyl-l-prolinamide
+c1ccc2c(c1)C(=O)[C@@H]([C@H](C2=O)O)[C@@H]3[C@@H](C(=O)c4ccccc4C3=O)Br	E6A	(2~{r},3~{r})-2-[(2~{s},3~{s})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione
+c1cc(ccc1C(=O)NCCc2c[nH]cn2)S(=O)(=O)N	E6B	~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]-4-sulfamoyl-benzamide
+CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)O	E6C	n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-2-methyl-butane
+CCOC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)O	E6D	ethyl (3s)-3-hydroxy-4-({(2s)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
+COc1ccccc1COc2cc(ccc2OC)C3=NN(C(=O)[C@H]4[C@H]3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6	E6E	4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
+C1CC[C@@H]([C@H](C1)C(=O)O)N	E6F	(1~{s},2~{s})-2-azanylcyclohexane-1-carboxylic acid
+CCOc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	E6G	6-ethyl, guanosine-5'-monophosphate
+CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)C(=O)N2)COC)O	E6J	(4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)NCCCCC(=O)O	E6K	5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid
+COc1ccc(cc1Cl)CNc2c(cnc(n2)N3CCC[C@H]3CO)C(=O)NCc4ncccn4	E6L	4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]-n-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide
+C[C@@H]1CCCCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC	E6M	(10r,12s)-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one
+COc1ccccc1COc2cc(ccc2OC)C3=NN(C(=O)[C@@H]4[C@@H]3CCCC4)C5CCN(CC5)c6ccc7ncc(n7n6)[N+](=O)[O-]	E6N	(4~{a}~{s},8~{a}~{s})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one
+C[C@H](c1cccc2c1CCC2)[C@@H](C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4C(=O)N)Cl	E6O	5-chloro-2-(n-((1s,2r)-2-(2,3-dihydro-1h-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide
+C[C@@H]1CCOCCCCNc2cc(cc(n2)Cl)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O	E6P	(10s,12s)-17-chloro-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-10-methyl-7-oxa-2,13,18-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one
+c1ccc(cc1)c2c[nH]c3c2ccc4c3C(=O)N=C4	E6Q	3-phenyl-1~{h}-pyrrolo[3,4-g]indol-8-one
+Cc1c(cn(c1c2ccccc2C(F)(F)F)CCO)C(=O)Nc3ccc(cc3)S(=O)(=O)C	E6R	1-(2-hydroxyethyl)-4-methyl-n-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
+C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)C(CNCc2cccc(c2)C(C)C)(O)O)C)C	E6S	(3s,14r,16s)-16-[1,1-dihydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
+c1cc(cc(c1)O)c2c[nH]c3c2ccc4c3C(=O)N=C4	E6T	3-(3-hydroxyphenyl)-1~{h}-pyrrolo[3,4-g]indol-8-one
+c1ccc(cc1)C[C@@H](C(=O)NCCCNC(=N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O	E6U	n-[(1s)-1-benzyl-2-(3-guanidinopropylamino)-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide
+C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CN[C@H]2CC(Oc3c2cc(cc3)C(C)C)(C)C)O)C)C	E6V	(3s,14r,16s)-16-[(1r)-2-{[(4s)-2,2-dimethyl-6-(propan-2-yl)-3,4-dihydro-2h-1-benzopyran-4-yl]amino}-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
+c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4	E6W	2-bromanyl-3-phenyl-1~{h}-pyrrolo[3,4-g]indol-8-one
+C[C@@H]1CCCCCCOCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNC2(CC2)c3cccc(c3)C(C)(C)C)O)C)C	E6Y	(5s,8s,10r)-8-[(1r)-2-{[1-(3-tert-butylphenyl)cyclopropyl]amino}-1-hydroxyethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione
+COc1ccc(cc1C#CC(=O)N)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4	E6Z	 3-{5-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide
+COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O	E70	n-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide
+c1cc(c(c(c1)F)F)c2cnoc2c3c[nH]c4c3cc(cn4)c5ccncc5	E71	3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1h-pyrrolo[2,3-b]pyridine
+CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN	E72	7-[(5-aminopentyl)oxy]-n~4~-[1-(5-aminopentyl)piperidin-4-yl]-n~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine
+CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)CCCCNc4cc(cc(n4)OC)C(=O)N2)O	E74	(4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-18-methoxy-3,15,17-triazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaen-2-one
+Cc1c(c(no1)c2ccccc2)c3ccnc(n3)NC4CCC(CC4)O	E75	trans-4-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino}cyclohexanol
+CN(C)C(=O)c1cc2cc(c1)OCCCCOc3cccc(c3)C[C@H](NC2=O)[C@H](CO)O	E77	(4s)-4-[(1r)-1,2-dihydroxyethyl]-n,n-dimethyl-2-oxo-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaene-19-carboxamide
+Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4c(nc(s4)NC(=O)C)C	E78	~{n}-[5-[2-[(1~{s})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{h}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
+C[C@H](CC(=O)O)N[C@@H](C(=O)O)O	E79	(3r)-3-[[(1r)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid
+C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)N[C@@H](C1)[C@H](CO)O	E7A	(10r,12s)-12-[(1r)-1,2-dihydroxyethyl]-n,n,10-trimethyl-14-oxo-2-oxa-13-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-17-carboxamide
+C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@@H]([C@@H](C(C)C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)OC)O)O)C)O[C@H]1CC[C@H](C)C(=O)C	E7B	(2z)-2-[(1r)-3-{[(1r,2s,3r,6s,7s,10r)-10-{(2s,3s,6r,8s,9r)-3,9-dimethyl-8-[(3s)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
+CC(=CCc1cc(ccc1O)C[C@@]2(C(=C(C(=O)O2)O)c3ccc(cc3)O)C(=O)OC)C	E7C	methyl (2r)-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate
+CCCCC[C@H](CN(CO)O)C(=O)NCNC(=O)c1cc2cccc(c2o1)OC	E7D	n-({[(2r)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide
+c1cc(cc(c1)NC(=O)c2cccc3c2cc([nH]3)C(=O)N)CN	E7E	~{n}4-[3-(aminomethyl)phenyl]-1~{h}-indole-2,4-dicarboxamide
+c1cc(ccc1CCC(=O)c2c(cc(c(c2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	E7F	1-[3-[(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
+CCN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	E7G	7-ethyl, guanosine-5'-monophosphate
+c1cc2c(cc([nH]2)C(=O)N)c(c1)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)N	E7H	4-[[(5~{s},7~{r})-3-azanyl-1-adamantyl]carbonylamino]-1~{h}-indole-2-carboxamide
+CC(C)C[C@H](C(=O)SCCNC(=O)C)N	E7L	s-(2-acetamidoethyl) (2r)-2-azanyl-4-methyl-pentanethioate
+Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CNCCN5CCOCC5	E7M	3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-n-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide
+CCCS(=O)(=O)Nc1cc(ccc1OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4	E7N	~{n}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide
+C(CP(=O)(O)O)[C@@H](C(=O)O)N	E7P	(2s)-2-amino-4-phosphonobutanoic acid
+CCCCCC(=O)N([C@H]1CC(=O)N(C1=O)c2ccc(cc2)Cl)O	E7Q	~{n}-[(3~{s})-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-~{n}-oxidanyl-hexanamide
+CCCn1cnc2c1C(=O)N(C(=O)N2C)C	E7R	1,3-dimethyl-7-propyl-purine-2,6-dione
+Cc1cc2c(cc1C)nc([nH]2)CO	E7S	(5,6-dimethyl-1h-benzimidazol-2-yl)methanol
+CC[C@@H]1C[C@@]([C@H](c2c1c(c(c(c2)F)F)O)Nc3cccc4c3C=CC(=O)N4)(C(F)(F)F)O	E7T	5-[[(1s,2r,4r)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1h-naphthalen-1-yl]amino]-1h-quinolin-2-one
+C[C@H]1CC[C@]2([C@H]([C@@H]3[C@@H](O2)[C@@H]([C@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H]6[C@]5(C[C@@H]([C@H](C6)O)O)C)C)O)C)OC1	E7U	(1s,2r,3r,4r,5's,6s,7s,8s,9r,12r,13r,15s,16s,18r)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol
+CN(C)C(=O)c1ccc(cc1)Cn2c3cc(cc(c3cc2C(=O)O)Br)Sc4ccc(c(c4)Cl)Cl	E7V	4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1h-indole-2-carboxylic acid
+c1ccc2c(c1)c(nc(n2)N[C@H]3CCCC[C@H]3C(=O)O)Nc4cccc(c4)CN	E7W	(1~{r},2~{s})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)[O-])[NH3+])CCO)O)O)N	E7X	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO	E7Y	(5z,8z,11z,14z)-n-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
+CN1C=C(C(=O)C=C1C(=O)O)O	E7Z	1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid
+CCN(c1ccc(c(c1)OCC(C)C)C(C)C)c2ccc(cn2)C(=O)O	E80	6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
+c1ccc2c(c1)CCC[C@@H]2NC(=O)c3cccc(c3)c4cccc(c4)CN	E82	3-[3-(aminomethyl)phenyl]-~{n}-[(1~{s})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
+CC(=O)/C(=N\Nc1cccc(c1)S(=O)(=O)Nc2ccccc2C(=O)O)/C(=O)c3ccccc3	E83	2-[[3-[(2e)-2-[1,3-bis(oxidanylidene)-1-phenyl-butan-2-ylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid
+c1ccc(cc1)C2(CCCCC2)C(=O)OCCN3CCOCC3	E84	2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate
+c1cc(cc(c1)Nc2c3c([nH]n2)ncnc3Nc4cccc(c4)O)CN	E85	3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{h}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
+Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4Cl	E86	4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-n-[(1s)-2-hydroxy-1-phenylethyl]-1h-pyrrole-2-carboxamide
+CCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](CO)NC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC	E87	(2r)-3-{[(2r)-2-(decanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl ditetradecanoate
+CC(C)[C@@H](C(=O)O)Nc1nc2ccccc2c(n1)Nc3cccc(c3)CN	E88	(2~{s})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid
+COc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3	E89	6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CC(C)CC(=O)Nc1cccc(c1)c2cccc(c2)CN	E8B	~{n}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide
+CC(C)C[C@H](C(=O)NO)NC(=O)NCc1ccc(cc1F)F	E8C	(2r)-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+c1ccc(cc1)N2CC(=O)Nc3c2nc(nc3)Nc4cc(c(c(c4)F)O)F	E8D	2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5h)-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O)NC(=O)/C=C/c3ccccc3	E8E	(2~{s})-4-methyl-~{n}-[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide
+Cc1ccc(cc1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO	E8F	(2s)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+Cc1cccc(c1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO	E8G	(2s)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)C(=O)CN5C(=O)CCC5=O	E8H	1-(2-{4-[(4as,8ar)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione
+CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc3c(nccn3)OC	E8J	(1r,3s,4s)-2-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-n-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
+c1ccc(cc1)S(=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4c3cccc4	E8K	[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{h}-indole-3-carboxylate
+CCN(c1ccc(c(c1)OCCOC)C(C)C)c2ccc(cn2)C(=O)O	E8L	6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
+CN(C)Cc1nc(on1)[C@@H](CCCC2CCCCC2)CC(=O)NO	E8M	(3s)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-n-hydroxyhexanamide
+CCC1(CCCCC1)C	E8N	1-ethyl-1-methyl-cyclohexane
+CCN(c1ccc(c(c1)C(C)C)OCC(C)C)c2ccc(cn2)C(=O)O	E8O	6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
+CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](c3ccccc3)C(=O)O	E8P	(2~{s})-2-[[(1~{r},3~{s},4~{s})-2-[(2~{r})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(CCN)O)OC(=O)CCCCCCCCCCCCCCC	E8Q	2-azanylethyl-[(2~{s})-2,3-di(hexadecanoyloxy)propoxy]phosphinic acid
+Cc1ccc(cc1C)CNC(=O)N[C@H](CC(C)C)C(=O)NO	E8R	(2r)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+COc1ccc(cc1)S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](Cc4cccs4)C(=O)NO	E8S	n~2~-[(2h-1,3-benzodioxol-5-yl)methyl]-n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]-3-thiophen-2-yl-d-alaninamide
+C(CC(=O)O)[C@H](CC(=O)C(=O)O)O	E8U	(4r)-4-oxidanyl-2-oxidanylidene-heptanedioic acid
+c1c(cc(c(c1F)O)F)c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F	E8V	4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol)
+CC(C)O[P@](=O)(C)OC	E8W	2-[methoxy(methyl)phosphoryl]oxypropane
+CCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O	E8X	(2~{s},3~{s},4~{r},5~{r})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
+Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O	E8Z	~{n}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide
+c1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N	E90	4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
+c1ccc2c(c1)-c3ccccc3C2=N/N=C/c4ccc(cc4)C(=O)O	E91	4-[(e)-(9h-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid
+c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl	E92	~{n}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide
+c1cc(cc(c1)Cl)c2c(c(sc2c3ccnc(n3)Nc4cccc(c4)O)NCCN5CCCCC5)C#N	E94	4-(3-chlorophenyl)-5-{2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}-2-{[2-(piperidin-1-yl)ethyl]amino}thiophene-3-carbonitrile
+Cc1cccc2c1[nH]cc2C[C@@H](C(=O)O)N	E95	7-methyl-l-tryptophan
+c1cc(ccc1c2[nH]c3cc(ccc3n2)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O)O	E96	4-{[4-hydroxy-phenyl]-1h-benzimidazole-5-yl}-benzimidazole-2-yl-[4-hydroxy-benzene]
+CN(C)CCCOc1ccc(cc1)c2[nH]c3ccc(cc3n2)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)OCCCN(C)C	E97	[3-(4-{2'-[4-(3-dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine
+c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)F	E98	~{n}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide
+C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)C[N]2=C(N(c3c2cccc3)C)COc4ccccc4)C(C)C	E9A	[(1~{r},2~{r},5~{s})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate
+C1C(=O)C(=CC(=O)C1=O)C[C@@H](C(=O)O)N	E9C	(2s)-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)[O-])C(=O)NCCCC(=O)N5CCN(CC5)Cc6c(c(nc(n6)c7ccccn7)c8ccc(cc8Cl)F)C(=O)OC	E9D	heteroaryldihydropyrimidine tetramethylrodamine
+CCO[P@](=O)(C)OC	E9E	1-[methoxy(methyl)phosphoryl]oxyethane
+C[C@@H]1COCCN1c2nc(cc(n2)C3(CC3)S(=N)(=O)C)c4ccnc5c4cc[nH]5	E9F	4-(6-{1-[(r)-s-methanesulfonimidoyl]cyclopropyl}-2-[(3r)-3-methylmorpholin-4-yl]pyrimidin-4-yl)-1h-pyrrolo[2,3-b]pyridine
+C[C@@H](c1ccccc1)N(C(=O)C(=O)O)O	E9G	{hydroxy[(1s)-1-phenylethyl]amino}(oxo)acetic acid
+CCCCCCCCCCCCCCCCOP(=O)(O)O	E9H	hexadecyl dihydrogen phosphate
+C[C@@H](c1ccccc1)NC(=O)C(=O)O	E9J	oxo{[(1s)-1-phenylethyl]amino}acetic acid
+C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1N2)O)O)CO	E9K	(1~{r},2~{r},3~{r},4~{r},6~{r})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol
+Cc1ccc(cc1)C2=NC(=O)C3=CC=C[NH+](C3=C2)C	E9L	(1s)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium
+CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O	E9M	n-methyl-l-tryptophan
+c1ccc(cc1)CS[C@H](CC(=O)O)C(=O)O	E9N	(2~{r})-2-(phenylmethylsulfanyl)butanedioic acid
+CCCCCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O	E9O	(2~{s},3~{s},4~{r},5~{r})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
+CCc1ccc(c(c1)O)Oc2ccccc2	E9P	5-ethyl-2-phenoxyphenol
+C1CCN(C1)c2c(c([nH]n2)N)C#N	E9Q	5-azanyl-3-pyrrolidin-1-yl-1~{h}-pyrazole-4-carbonitrile
+c1ccc(cc1)COC(=O)N[C@@H](CCCC[n+]2ccc(c(c2)O)CO)C(=O)O	E9R	(2~{s})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid
+c1cc(c(c(c1)O)Br)C(=O)C=C(C(=O)O)O	E9S	(2z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+c1cc(cc2c1cc(cc2)C(=O)O)c3ccc(c(c3)C45CC6CC(C4)CC(C6)C5)O	E9T	6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCSC[C@@H](C(=O)O)N)C(=O)O)O	E9U	(2~{s})-4-[(2~{r})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{e})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid
+CN[C@@H](Cc1cnc[nH]1)C(=O)O	E9V	n-methyl-l-histidine
+C#CCNC(=O)CSc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	E9W	azanylidene-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium
+CC1(N=C(N=C(N1OCCCN(Cc2ccccc2)c3ccc(cc3)Cl)N)N)C	E9X	1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
+Cc1c2c(nc(nc2on1)C)N3CCCc4c3ccc(c4)OC	E9Y	1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
+COCCOc1ccc(cc1)Nc2ncc(c(n2)NC3CC3)Cl	E9Z	5-chloro-n~4~-cyclopropyl-n~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine
+CC1(N=C(N=C(N1OCC(=O)Nc2ccc(cc2)Cl)N)N)C	EA0	2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-n-(4-chlorophenyl)ethanamide
+c1cn2cnc3c(c2n1)nc[nH]3	EA1	3h-imidazo[2,1-i]purine
+C(CO[P@@](=O)(O)OP(=O)(O)O)N	EA2	aminoethanolpyrophosphate
+c1c(c(cc(c1S(=O)(=O)N)Cl)SC2CCCCC2)C(=O)NCCO	EA3	4-chloranyl-2-cyclohexylsulfanyl-~{n}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
+CCOC(=O)CNC(=O)NCc1ccc(cc1)N	EA4	ethyl n-[(4-aminobenzyl)carbamoyl]glycinate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@H](CCC(=O)O)N)O	EA5	(4s)-4-amino-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
+CC1(N=C(N=C(N1OCCCOc2ccc(cc2Cl)F)N)N)C	EA6	1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
+C[C@@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)CC#C	EA7	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+CCCOc1ccc(cc1OC)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O	EA9	(4r)-3-(2-hydroxyphenyl)-4-(3-methoxy-4-propoxy-phenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O	EAA	ethacrynic acid
+c1cc(cc(c1)/N=N/c2cccc(c2)CN)CC(=O)O	EAB	(3-{(e)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid
+CCOC(=O)CC(=O)C	EAC	ethyl 3-oxobutanoate
+CCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	EAD	{(2r,3s,4r,5r)-5-[(4s)-3-(aminocarbonyl)-4-(2-ethylisonicotinoyl)pyridin-1(4h)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}methyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCN\1c2cc(ccc2S/C1=C\C(=O)C)OC	EAE	(1~{z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
+CCOc1ccc(cc1)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O	EAF	(4r)-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN)CO)O)O	EAG	2-aminoethyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
+CCCCC\C=C/C\C=C/C=C/C=CC[C@H](CCCC(=O)O)O	EAH	(5s,7e,9e,11z,14z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid
+COc1ccccc1c2cccc(c2)C(=O)O	EAJ	3-(2-methoxyphenyl)benzoic acid
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O	EAL	1-((2s)-2-{[(1s)-1-carboxy-3-phenylpropyl]amino}propanoyl)-l-proline
+CCNC(=O)C[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C	EAM	2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-n-ethylacetamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)OP(=O)(O)O)O	EAN	[(1~{s},2~{r},4~{r},6~{s},8~{r})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate
+CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C(=O)C	EAO	3-(3,4-dihydroxy-5-nitrobenzylidene)pentane-2,4-dione
+C(=COP(=O)(O)O)N	EAP	2-amino-vinyl-phosphate
+CC(C)(C)c1ccc(cn1)C(=O)NC2=C[N]3=C(N2)C=CC(=C3)c4c[nH]nc4	EAQ	6-~{tert}-butyl-~{n}-[6-(1~{h}-pyrazol-4-yl)-1~{h}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide
+CCOC(=O)CN1c2nc(cn2C(=O)C=C1C)c3ccc(cc3)Cl	EAR	ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate
+c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N	EAS	5-chloro-n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide
+C[C@H]1[C@H]([C@H]([C@@H](N1)c2[nH]c3ccccc3n2)O)O	EAT	(2s,3s,4r,5s)-2-(1h-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2ccco2)N3CCCCCC3)N	EAU	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide
+Cc1ccc2c(c1)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N	EAV	n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-6-methyl-l-tryptophanamide
+c1ccc(c(c1)NS(=O)(=O)N2CCCC2)Br	EAW	n-(2-bromophenyl)pyrrolidine-1-sulfonamide
+C([C@H]([C@H](C(=O)O)O)O)O	EAX	(2r,3r)-2,3,4-trihydroxybutanoic acid
+[H]/N=C\1/[C@@H](OC=CC=C1C(=O)O)O	EAY	(2r,3e)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid
+Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OC[C@H](CC(C)C)N	EAZ	(2~{s})-4-methyl-1-[5-(3-methyl-2~{h}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)Nc4ccc(cc4)F	EB0	1-ethyl-n-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+CCC(CC)(C=C\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O	EB1	seocalcitol
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCCC4	EB2	n-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCC4	EB3	n-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O	EB4	n,n',n''-[(3s,7s,11s)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)
+CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC	EB5	n,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+COc1ccc(c(c1)O)C#CC(=O)Oc2ccc(cc2)C[C@@H](C(=O)OC)Nc3ccccc3C(=O)c4ccccc4	EB6	methyl (2~{s})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate
+CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F	EB7	2-chloro-n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4C(=O)OC	EB8	methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate
+CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4	EB9	n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide
+Cc1ccc2c(c1C)N=C(NC2=O)CSc3ncccn3	EBB	7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{h}-quinazolin-4-one
+C(CNC(=O)CI)NC(=O)CI	EBC	n,n'-ethane-1,2-diylbis(2-iodoacetamide)
+Cc1cnc(nc1Nc2cc([nH]n2)C3CC3)Nc4ccc(cc4)CC#N	EBD	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl}amino)phenyl]acetonitrile
+Cc1ncc(cn1)c2ccc(cc2)[C@@H](c3ccccc3F)C(=O)NO	EBE	(2~{s})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{n}-oxidanyl-ethanamide
+COc1ccc2c(c1)OC(=O)C=C2	EBF	7-methoxychromen-2-one
+C1[C@@H](O1)CCO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	EBG	2-[(2s)-oxiran-2-yl]ethyl alpha-d-glucopyranoside
+C[C@@H](CBr)O	EBH	(2s)-1-bromopropan-2-ol
+C[C@]1(CCCN1c2nc(c3cccn3n2)Nc4cc(n[nH]4)C5CC5)C(=O)Nc6ccc(nc6)F	EBI	1-{4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-n-(6-fluoropyridin-3-yl)-2-methyl-l-proli namide
+c1c([nH]nn1)S	EBJ	1h-1,2,3-triazole-5-thiol
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCN(CC4)C)Cl	EBK	2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{n}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
+CC(C)NC(=O)c1ccccc1I	EBM	2-iodo-n-(1-methylethyl)benzamide
+[H]/N=C(\N)/NC1CCC(CC1)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc2ccc(c(c2)Cl)Cl	EBN	(s)-6-amino-n-((s)-6-amino-1-(((1r,4s)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide
+Cc1c(c(c(cn1)CP(=O)(O)O)/C=N/[C@@H](CCSCC[C@@H](C(=O)O)N)C(=O)O)O	EBO	(2~{s})-2-azanyl-4-[(3~{s})-3-[(~{e})-[2-methyl-3-oxidanyl-5-(phosphonomethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-butanoic acid
+CCOP(=O)(Cc1ccc(cc1)C)OCC	EBP	diethyl 4-methylbenzylphosphonate
+C[C@@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O	EBQ	(3s)-3-hydroxybutyl alpha-d-glucopyranoside
+CC1=C(/C(=C\N=C/Cc2ccc(cc2)O)/C(=CN1)COP(=O)(O)O)O	EBR	[(4z)-4-[[(z)-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1h-pyridin-3-yl]methyl dihydrogen phosphate
+CCN1c2ccc(cc2SC1=NN=C3N(c4ccc(cc4S3)S(=O)(=O)O)CC)S(=O)(=O)O	EBS	3-ethyl-2-[(2z)-2-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3h)-ylidene)hydrazino]-6-sulfo-3h-1,3-benzothiazol-1-ium
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](Cc1ccccc1)N)O	EBT	n-[(2r,3r)-3-amino-2-hydroxy-4-phenylbutanoyl]-l-leucine
+[H]/N=C(/N)\NCCC[C@H]1C(=O)N2CCC[C@@]2(CCCCn3cc(c4c3cccc4)C[C@@H](C(=O)N1)NC(=O)[C@H](Cc5ccccc5)N)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)O	EBU	pepide inhibtor
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N3C[C@H]4CN(C[C@H]4C3)Cc5c[nH]c6c5cc(cc6)Cl)N	EBV	(2s)-2-amino-1-[(3ar,6as)-5-[(5-chloro-1h-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1h)-yl]-3-(1h-indol-3-yl)propan-1-one
+C[N+](C)(CC=C)c1ccc(cc1)CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C	EBW	4-(5-{4-[dimethyl(prop-2-enyl)ammonio]phenyl}-3-oxopentyl)-n,n-dimethyl-n-prop-2-enylbenzenaminium
+CC[C@H](c1cc(co1)C(C)C)NC2=C(C(=O)C2=O)Nc3ccnc(c3O)C(=O)N(C)C	EBX	4-[[3,4-bis(oxidanylidene)-2-[[(1~{r})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{n},~{n}-dimethyl-3-oxidanyl-pyridine-2-carboxamide
+Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N	EBY	n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-5-methyl-l-tryptophanamide
+c1cc2c(cc(c(c2nc1)O)Cl)[N+](=O)[O-]	EC0	7-chloranyl-5-nitro-quinolin-8-ol
+c1ccc(cc1)[C@@H]2[C@H](N3C(=O)C=C(C(=C3S2)C4CC4)Cc5cccc6c5cccc6)C(=O)O	EC2	(2r,3r)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+c1cc2c(cc(c(c2nc1)O)CN3CCCC3=O)Cl	EC3	1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one
+c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N	EC4	6-chloro-n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide
+c1ccc(cc1)C[C@@H](C(=O)O)N2C(=O)C=C(C(=C2SO)C3CC3)Cc4cccc5c4cccc5	EC5	(2r)-2-[5-cyclopropyl-6-(hydroxysulfanyl)-4-(naphthalen-1-ylmethyl)-2-oxopyridin-1(2h)-yl]-3-phenylpropanoic acid
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CC)O	EC6	n-hexanoyl-l-valyl-n~1~-[(4s,5s,6r)-5-hydroxy-2,6-dimethyloctan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide
+CC(C(=O)N(CC1CC1)CC(C)(C)C2CCN(CC2)C)NC	EC7	(s)-n-(cyclopropylmethyl)-n~2~-methyl-n-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide
+c1ccc(c(c1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)F)O	EC8	n-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2h)-yl)-2-hydroxybenzamide
+CC(=O)Nc1cc(c2cccc(c2n1)O)Nc3ccccn3	EC9	n-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide
+c1cc(c(c(c1)O)O)C(=O)NCc2cc(cc(c2)CNC(=O)c3cccc(c3O)O)CNC(=O)c4cccc(c4O)O	ECA	n,n',n''-[benzene-1,3,5-triyltris(methylene)]tris(2,3-dihydroxybenzamide)
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO	ECB	1,3-dihydroxypropan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+C(CC(=O)N)[C@@H](CO)N	ECC	(4s)-4-amino-5-hydroxypentanamide
+C1[C@H](NC(=[NH2+])N1)CCC(=O)O	ECD	(4r)-4-(2-carboxyethyl)imidazolidin-2-iminium
+C1CCC(=O)OCC1	ECE	caprolactone
+c1cn(cn1)c2cc(nc3c2cc(cc3O)F)N	ECF	2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
+C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC	ECG	3-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C	ECH	beta,beta-caroten-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5N=C(NC6=O)N)CO)S)OP(=O)(O)S)O)N	ECI	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphinic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C(=O)C(=C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)N	ECJ	(5r)-5-(6-amino-9h-purin-9-yl)-2-({[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}methyl)-4-oxo-4,5-dihydrofuran-3-yl trihydrogen diphosphate
+c1cc(ccc1CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl	ECL	1-[(2r)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cccc6c5n(cc6C(=O)O)C)c7c(nn(c7C)C)C)Cl	ECM	7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}-1-methyl-1h-indole-3-carboxylic acid
+c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl	ECN	1-[(2s)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole
+C[C@]12CC[C@@H]3c4ccc(cc4C(=NOCC(=O)O)C[C@H]3[C@@H]1CC[C@@H]2O)O	ECO	estradiol-6 carboxyl-methyl-oxime
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C	ECP	(2e)-3-methyl-5-[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
+C[C@H]([C@H](C[C@@H]1CCNC1=O)N)O	ECQ	(3s)-3-[(2s)-2-amino-3-hydroxybutyl]pyrrolidin-2-one
+c1cc(c2c(cc(nc2c1O)N)n3ccnc3)F	ECR	2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O	ECS	2,3,17beta-trihydroxy-1,3,5(10)-estratriene
+Cc1cc2c(c(c1OC)O)[C@@H]3[C@@H]4[C@H]5c6c(c7c(c(c6OC(=O)C)C)OCO7)[C@@H]([N@]4[C@H]([C@H](C2)[N@@]3C)O)COC(=O)[C@@]8(CS5)c9cc(c(cc9CCN8)O)OC	ECT	ecteinascidin 743
+c1cc(c(c2c1c(cc(n2)N)n3ccnc3)O)Br	ECU	2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol
+CNC(=O)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F	ECV	2-[(3~{s})-7-fluoranyl-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{n}-methyl-ethanamide
+CCSC[C@@H](C(=O)O)N	ECX	s-ethyl-l-cysteine
+Cc1cc(cc(c1Cl)C)OCCCc2c3cccc(c3n4c2C(=O)N(CCC4)Cc5cccc(c5)C(=O)O)c6c(nn(c6C)C)C	ECY	3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}methyl)benzoic acid
+COc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F	ECZ	8-methoxy-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one
+CC(C)(C)OC(=O)N1CCC(CC1)C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4ccccc4c5cccc(c5)CCC(=O)O	ED1	3-{2'-[{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)sulfamoyl]biphenyl-3-yl}propanoic acid
+Cn1cc(nc1)S(=O)(=O)[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4	ED2	n-benzyl-n-(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1h-imidazole-4-sulfonamide
+Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3ccccc3Cl)C(=O)c4c(nn(c4O)C)C	ED3	3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione
+CC(C)(C)OC(=O)N1CCC(CC1)C[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4cn(cn4)C	ED4	tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)[(1-methyl-1h-imidazol-4-yl)sulfonyl]amino}methyl)piperidine-1-carboxylate
+Cc1ccccc1S(=O)(=O)[N@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)CC4CCN(CC4)C(=O)OC(C)(C)C	ED5	tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)[(2-methylphenyl)sulfonyl]amino}methyl)piperidine-1-carboxylate
+Cc1ccccc1S(=O)(=O)[N@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4	ED7	n-benzyl-n-(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide
+CN1CCC(CC1)Oc2ccc3c(c2)n(cn3)c4cc(c(s4)C(=O)N)OCc5ccccc5C(F)(F)F	ED8	5-{6-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)O)OCCCO)O)C	ED9	(1r,2r,3r,5z,7e,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
+c1cn2cnc3c(c2n1)ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	EDA	3-[2-deoxy-ribofuranosyl]-3h-1,3,4,5a,8-pentaaza-as-indacene-5'-monophosphate
+c1cc(cc(c1)N2/C(=N/C(=O)Nc3cccc(c3Cl)Cl)/C=C(N2)c4cccs4)CC(=O)N	EDB	2-{3-[(5e)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1h-pyrazol-1-yl]phenyl}acetamide
+c1cn2c(n1)C=CN(C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	EDC	n3,n4-etheno-2'-deoxycytidine-5'-monophosphate
+CC(C)(C)C1=CC(=NC(=O)Nc2cccc(c2Cl)Cl)N(N1)c3cccc(c3)CC(=O)N	EDD	2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1h-pyrazol-1-yl)phenyl]acetamide
+[H]/N=C(\CCCCNCCCNC(=O)CNC(=O)C[C@H]([C@H](CCC[C@H](C(=O)O)NC(=O)[C@H](CN)NC(=O)[C@H](CNC(=O)C[C@@H](c1ccc(cc1)O)N)O)N)O)/N	EDE	edeine b
+C[C@@H]1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4ccccc4)C	EDF	(3~{r})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{h}-quinoxalin-2-one
+C1[C@@H]([C@H]([C@@H](N1)CO)O)O	EDG	1,4-dideoxy-1,4-imino-l-arabinitol
+CCCN\1c2ccccc2N/C1=N\C(=O)c3cccc(c3)C(=O)N	EDH	n~1~-(1-propyl-1,3-dihydro-2h-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CN(C2=O)CCI	EDI	2'-deoxy-1-(2-iodoethyl)inosine
+CNC(=O)c1ccccc1Oc2c(cnc(n2)Nc3cc(c(c(c3)OC)OC)OC)Br	EDJ	2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-n-methylbenzene-1-carboximidic acid
+CN(CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4	EDK	(2~{s})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid
+CN(C)c1cc(nc(n1)S(=O)(=O)C)C=C	EDM	6-ethenyl-n,n-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine
+C(CN)N	EDN	ethane-1,2-diamine
+C(CO)O	EDO	1,2-ethanediol
+CCC[C@@H](C)C1(C(=O)NC(=S)NC1=O)CC	EDP	5-ethyl-5-[(2r)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
+CC[N+](C)(C)c1cccc(c1)O	EDR	edrophonium ion
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CNCCO)N)N)NC(=O)[C@H](CCN)O)O	EDS	(2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-{[(2s,3r)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2h-pyran-2-y l]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide
+C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O	EDT	{[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid
+C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O	EDU	2'-deoxy-5-ethynyluridine
+C[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#C)CO)O	EDV	1-(2-deoxy-2-methyl-beta-d-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1h,3h)-dione
+[H]/N=C(/N)\NCCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1	EDX	(2~{s})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid
+c1ccc(c(c1)CCO)NC(=O)Nc2cnns2	EDZ	1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea
+CCC[C@H](C(=O)O)N	EE0	(2~{r})-2-azanylpentanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C[C@H](C(=C5)C(=O)N)[C@H](CC(=O)O)C(=O)C(=O)O)O)O)O)OP(=O)(O)O)N	EE1	(3~{s})-3-[(4~{s})-3-aminocarbonyl-1-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{h}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid
+c1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)O	EE2	(2r)-2-(3-hydroxy-3-oxopropyl)-6-[(e)-[(2s)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1c(ocn1)C(=O)NCCCC[C@@H](C(=O)O)N	EE3	(2~{s})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid
+CCCOc1ccc(c(c1C(=O)c2ccc(cc2)C(=O)N[C@@H]3CNC[C@H]3NC(=O)c4ccc5c(c4)cn[nH]5)F)OC	EE4	n-[(3r,4r)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1h-indazole-5-carboxamide
+CC#Cc1ccc2c(c1C)N=C(NC2=O)CSc3ccc(cc3)C(=O)O	EE5	4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{h}-quinazolin-2-yl)methylsulfanyl]benzoic acid
+CC(=CCc1cc(ccc1O)C=C2C(=C(C(=O)O2)c3ccc(c(c3)CC=C(C)C)O)O)C	EE6	3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one
+Cc1c(ccc2c1cc(n2CCN3CCN(CC3)C(=O)CF)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F	EE7	1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+CCOc1ccc(cc1Cl)NC(=O)C	EE8	~{n}-(3-chloranyl-4-ethoxy-phenyl)ethanamide
+C[C@@H]1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4cncc5c4cccc5)C	EE9	(3~{r})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{h}-quinoxalin-2-one
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	EEA	n-{3-[3-(3'-chlorobiphenyl-4-yl)isoxazol-5-yl]propanoyl}-l-alpha-glutamyl-l-alpha-glutamyl-amide
+CCC(C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	EEB	uridine-diphosphate-3(n-acetylglucosaminyl)butyric acid
+c1ccc(cc1)c2cc(on2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	EEC	n-[3-(3-phenylisoxazol-5-yl)propanoyl]-l-alpha-glutamyl-l-alpha-glutamyl-amide
+C[C@]12C[C@@H]([C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)COC	EED	(9beta,11alpha,13alpha,14beta,17alpha)-11-(methoxymethyl)estra-1(10),2,4-triene-3,17-diol
+CCOC(=O)C	EEE	ethyl acetate
+c1ccc(cc1)c2ccc(cc2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	EEF	n-(3-biphenyl-4-ylpropanoyl)-l-alpha-glutamyl-l-alpha-glutamyl-amide
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	EEG	n-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-l-alpha-glutamyl-l-alpha-glutamyl-amide
+Cc1c2ccccc2sc1CC(=O)NC3CCC(CC3)CC(=O)N4CCN(C(=O)[C@@H]4Cc5ccccc5)CC(=O)NC	EEH	n-[4-[2-[(2s)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide
+CC(=O)N1CCC[C@@H](C1)C[C@@H](c2cc(c(nn2)Cl)c3ccc(cc3)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	EEJ	methyl (4-{6-[(1s)-2-[(3r)-1-acetylpiperidin-3-yl]-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate
+c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl	EEK	~{n}-(3,4-dichlorophenyl)-~{n}'-oxidanyl-propanediamide
+C1C[C@@H](N(C1)C(=O)C(CS)CS)C(=O)O	EEL	(2r)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid
+C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	EEM	[(3s)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C(F)F)O)O)O	EEN	2-deoxy-2-[(difluoroacetyl)amino]-alpha-d-galactopyranose
+C[C@H](CS)C(=O)N1CCCCC[C@@H]1C(=O)O	EEO	(2r)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid
+C[C@@](C[C@@H](C(=O)O)N)(CO)O	EEP	(2s,4r)-2-amino-4,5-dihydroxy-4-methylpentanoic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)CF)O)O)O	EEQ	2-deoxy-2-[(fluoroacetyl)amino]-alpha-d-galactopyranose
+C[C@H](CS)C(=O)N1CCCC[C@@H]1C(=O)O	EER	(2r)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid
+c1cc(ccc1n2c(c3cc(ccc3n2)O)Cl)O	EES	3-chloro-2-(4-hydroxyphenyl)-2h-indazol-5-ol
+CCCCC[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O	EET	(5~{z},11~{z},14~{r},15~{r})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5cc(nc(c5)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)O)O	EEU	estradiol-pyridinium tetraacetic acid
+Cc1c(ccc2c1cc(n2C[C@@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F	EEV	4-methyl-1-{[(2s)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OC	EEW	[(3~{r},4~{r},5~{s})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid
+C[C@H](CS)C(=O)N1CCc2ccccc2[C@@H]1C(=O)O	EEX	(1r)-2-[(2s)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1h-isoquinoline-1-carboxylic acid
+c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl	EEY	2-chloro-5-nitro-n-(pyridin-4-yl)benzamide
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(c(nc2)O[C@@H](C)c3ccccc3)Cl	EEZ	~{n}-[5-chloranyl-6-[(1~{s})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+C[C@H](CS)C(=O)N1CCC(CC1)C(=O)O	EF0	1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid
+CC(C)[C@H](NC(=O)CCc1ccccc1)P(=O)(C[C@@H](CCCCCN)C(=O)O)O	EF1	(2s)-7-amino-2-{[(r)-hydroxy{(1r)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid
+c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O	EF2	s-thalidomide
+[H]/N=C/c1c2c(cc(n1)c3ccc(c(c3)C(F)(F)F)OCCCN4CCN(CC4)C)n(cn2)C	EF3	(e)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1h-imidazo[4,5-c]pyridin-4-yl)methanimine
+CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@H]([C@H]([C@@H](C/C=C/C=C1)C)O)C)C)O)C)C)O)C)C	EF4	oligomycin c
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3)c4ccccc4	EF5	2-(4-ethylsulfonylphenyl)-~{n}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide
+c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl	EF6	n~1~-(3-chloro-1h-indol-7-yl)benzene-1,4-disulfonamide
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OCCCCCCN=[N+]=N	EF8	6-[[(3~{r},4~{r},5~{s})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium
+C[C@H](CS)C(=O)N1CCC[C@@H](C1)C(=O)O	EF9	(3s)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid
+C#Cc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O)N	EFA	5'-deoxy-2-ethynyl-5'-fluoroadenosine
+CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)C(=O)C[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C	EFB	oligomycin b
+C(CSSC[C@@H](C(=O)O)N)F	EFC	s,s-(2-fluoroethyl)thiocysteine
+Cc1cccc(c1C(=O)N2CCC[C@@H]([C@@H]2c3ccc(cc3)NC4CCCC4)C(=O)Nc5ccc(c(c5)C(F)(F)F)C)F	EFD	avacopan
+C[N@+]12[C@@H]3CS[C@H]1[C@@H]4CSC5=[N+]4[Fe@]2(Oc6c5cccc6)OC3=O	EFE	enantio-pyochelin fe(iii)
+C[C@H](CS)C(=O)N1CCC(CC1)C(=O)N	EFF	1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide
+c1cn-2c(n1)NC(=O)c3c2n(cn3)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F	EFG	1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-1h-imidazo[2,1-b]purin-4(5h)-one
+O[Mo]=O	EFK	oxidanyl(oxidanylidene)molybdenum
+CC1(C(=O)Nc2ccc(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)C	EFL	5-bromo-n-(2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide
+CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)OC)C	EFM	5-bromo-2-methoxy-n-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)benzene-1-sulfonamide
+CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)O)C	EFN	5-bromo-n-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide
+CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C	EFO	oligomycin a
+CC(=O)NC1CC(C1)n2cc(nc2)NC(=O)Cc3ccc(cc3)OC	EFP	n-{1-[cis-3-(acetylamino)cyclobutyl]-1h-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide
+COc1ccc(cc1)CC(=O)Nc2cn(cn2)C3CC(C3)O	EFQ	n-[1-(cis-3-hydroxycyclobutyl)-1h-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide
+C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)N	EFR	2-[1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide
+CCOP(=O)(O)O	EFS	ethyl dihydrogen phosphate
+c1cc2c(cc1O)[nH]nc2[C@@H](CC3CCCCC3)C#N	EFT	(2r)-3-cyclohexyl-2-(6-hydroxy-1h-indazol-3-yl)propanenitrile
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccccc4	EFU	n-benzyl-6-hydroxy-n-methyl-3-(3-methylbenzyl)-1h-indazole-5-carboxamide
+COc1cc(cnc1OC)c2ccc3c(n2)CN(C3=O)c4cnn(c4)CC#N	EFV	{4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-1h-pyrazol-1-yl}acetonitrile
+c1cc(ncc1C(=O)N)N[C@@H]2CC[C@H](C2)O	EFW	6-{[(1r,3r)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide
+COC(=O)c1cccc(c1)c2cccc(c2)C(=O)O	EFX	3-(3-methoxycarbonylphenyl)benzoic acid
+CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4	EFY	n-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
+c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F	EFZ	(-)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-2h-3,1-benzoxazin-2-one
+C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)O	EG0	2-[1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid
+c1cc(ccc1C(=O)NCCOCCOCCNC(=O)CN)S(=O)(=O)N	EG1	aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
+c1cc(ccc1C(=O)NCCOCCOCCN)S(=O)(=O)N	EG2	aminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
+c1ccc(cc1)C[C@@H](C(=O)NCCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N)N	EG3	phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)O)C=C6	EG5	(3~{s},7~{r},10~{r},13~{r})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NC(CO)C(=O)O	EG6	n-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-l-serine
+Cc1cc(n[nH]1)Nc2ccc(c(n2)C[C@]3(CCN([C@@H](C3)C)Cc4cccc(c4F)Cl)C(=O)O)F	EG7	(2r,4r)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid
+c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3	EG8	n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine
+CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	EGA	ethyl beta-d-galactopyranoside
+CC1(CC2=C([C@@H](NC(=S)N2)c3cccc(c3)O)C(=O)C1)C	EGB	(4s)-4-(3-hydroxyphenyl)-7,7-dimethyl-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1h)-one
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	EGC	2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-tetramethyl-butyl)-phenoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethox y}-ethoxy)-ethanol
+[H]/N=C(\N)/NCC	EGD	n-ethylguanidine
+c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3cc(c(cc3N)O)C(=O)O	EGE	4-azanyl-2-oxidanyl-5-[(~{e})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
+Cc1cc(no1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]2[C@@H](OCC/C=C/COC(=O)/C=C\[C@@H](NC2=O)C[C@@H]3CCNC3=O)c4ccccc4	EGF	~{n}-[(2~{s})-1-[[(2~{s},3~{s},6~{s},7~{z},12~{e})-4,9-bis(oxidanylidene)-6-[[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
+c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O	EGG	(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate
+COc1cc2c(c(c1OC)OC)[C@@H](CC(=O)N2)c3cc(ccc3F)Br	EGH	(4~{r})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{h}-quinolin-2-one
+C[C@H]1C[C@](CCN1Cc2cccc(c2F)Cl)(Cc3c4ccccc4cc(n3)Nc5nccs5)C(=O)O	EGJ	(2s,4r)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid
+C(CO)O	EGL	ethylene glycol
+CCc1ccc(cc1)C(=O)O	EGM	4-ethylbenzoic acid
+CCN1c2ccccc2C(=CC1=O)SCC(=O)N3CC[NH+](CC3)C4CCCCC4	EGN	4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one
+Cc1cnn(c1c2ccc(c(c2)F)Cl)c3ccc(c(c3)C(=O)O)OCc4ccccc4	EGO	5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid
+CN1CCN(CC1)Cc2cn(c3c2ccc(c3)NC(=S)NCCc4c[nH]c5c4cccc5)CC(=O)N6CCOCC6	EGP	n-[2-(1h-indol-3-yl)ethyl]-n'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1h-indol-6-yl}thiourea
+CCOC(=O)c1cc(c(c(c1)O)O)O	EGR	ethyl 3,4,5-trihydroxybenzoate
+c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O	EGT	2-(3,4,5-trihydroxy-phenyl)-chroman-3,5,7-triol
+CN(c1cc(c(cc1C(=O)O)F)Cl)C(=O)c2c(sc(n2)N3Cc4ccc(cc4C3)OC)Cl	EGU	4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid
+[H]/N=C(/N)\NC[C@H](CC(=O)C(=O)O)O	EGV	(4s)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid
+c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N3CCC(CC3)c4ccc(cc4)F	EGW	4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide
+c1ccc2c(c1)C(=O)c3cccc(c3C2=O)c4cnn(c4)C5CCNCC5	EGX	1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione
+CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C	EGY	(4r,7r)-4-hydroxy-n,n,n-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium
+C1[C@H](NC(=O)C2=C1O[C@@H]3[C@H](S2)[C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)O	EGZ	(3~{r},5~{r},6~{s},7~{s},8~{r},13~{s})-5-(hydroxymethyl)-7-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-11-oxidanylidene-2,4-dioxa-9-thia-12-azatricyclo[8.4.0.0^{3,8}]tetradec-1(10)-ene-13-carboxylic acid
+c1cc(ccc1CNC(=O)c2c(c(on2)c3cc(c(cc3O)O)Cl)c4cc(c(c(c4)F)OCCCC(=O)O)F)C(=O)O	EH0	4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid
+c1cc(ccc1C2CCCCC2)C(=O)O	EH1	4-cyclohexylbenzoic acid
+c1ccc(c(c1)/C=C/c2cccs2)C(=O)O	EH2	2-[(~{e})-2-thiophen-2-ylethenyl]benzoic acid
+CS(=O)(=O)N1CCC(CC1)Oc2ccc(cc2)c3c(onc3C(=O)NCC4CCC(CC4)C(=O)O)c5cc(c(cc5O)O)Cl	EH3	4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid
+COc1cc(cc(c1OCc2ccccc2)OC)C(=O)N[C@@H](Cc3ccccc3)[C@H](CN(CCC4CCC5C(C4)OCO5)C(=O)CCN6C(=O)c7ccccc7C6=O)O	EH5	n-(1-benzyl-3-{[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionyl]-[2-(hexahydro-benzo[1,3]dioxol-5-yl)-ethyl]-amino}-2-hydroxy-propyl)-4-benzyloxy-3,5-dimethoxy-benzamide
+c1ccc(cc1)c2c(cccc2Cl)Nc3ccccc3C(=O)O	EH6	2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid
+Cn1cnc(c1c2ccncc2)c3ccccc3	EH8	4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine
+CCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N	EH9	(2s,3r)-3-(6-amino-9h-purin-9-yl)nonan-2-ol
+CCCc1c2ccc(cc2ccc1OCCCOc3ccc4c(c3)ccn4CC(=O)O)C(=O)c5ccccc5	EHA	(5-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propoxy}-1h-indol-1-yl)acetic acid
+CCN\1c2cc(ccc2S/C1=C\C(=O)C)O	EHB	(1z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3h)-ylidene)propan-2-one
+c1ccc(c(c1)C(=O)O)Nc2cccc(c2c3ccc4c(c3)CCO4)Cl	EHC	2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid
+CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5ccccc5nc4C3=C2)O	EHD	4-ethyl-4-hydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione
+CC1=CC(=O)N(N=C1c2ccccc2)C3CCNCC3	EHE	5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one
+CC[C@](C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O	EHF	(2s)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2OCCO)N	EHG	9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-(2-hydroxyethoxy)-9h-purin-2-amine
+Cc1cc(cc(c1c2c(n(cn2)C)c3ccncc3)C)CN	EHH	[3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine
+CC1=CC(=O)N(N=C1c2ccncc2)C3CCNCC3	EHK	5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one
+Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-]	EHL	5-methyl-n-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
+C([C@H]([C@H](C(=O)NO)O)O)O	EHM	(2r,3r)-n,2,3,4-tetrahydroxybutanamide
+CC	EHN	ethane
+c1ccc(cc1)Nc2ccccc2C(=O)O	EHO	2-phenylazanylbenzoic acid
+c1cc(cc(c1)O)C[C@@H](C(=O)O)N	EHP	3-hydroxyphenylalanine
+Cc1c(c(on1)C)c2c(c[nH]n2)c3ccncc3	EHQ	3,5-dimethyl-4-(4-pyridin-4-yl-1~{h}-pyrazol-3-yl)-1,2-oxazole
+c1ccc(cc1)c2ccccc2Nc3ccccc3C(=O)O	EHR	2-[(2-phenylphenyl)amino]benzoic acid
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O	EHS	2s-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-[(2s)-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-hydroxy-propanoyl]oxy-propanoic acid
+Cc1c(c(on1)C)c2c(n(cn2)C)c3ccncc3	EHT	3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole
+CNc1ccc(c(c1Cl)c2ccccc2)Nc3ccccc3C(=O)O	EHU	2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid
+Cc1cccc(c1C(=O)C[C@@H](C(=O)O)O)Br	EHV	(2s)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid
+Cc1c(c(on1)C)c2c(n(cn2)C)c3ccnc4c3ccc(c4)F	EHW	4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole
+c1ccc2c(c1)C3=CC=CC[C@@]3(N2)OO	EHX	(9ar)-9a-(dioxidanyl)-1,9-dihydrocarbazole
+c1ccc(cc1)CCNC(=S)Nc2cccnc2	EHY	n-(2-phenylethyl)-n'-pyridin-3-ylthiourea
+CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)O	EHZ	~{s}-[2-[3-[[(2~{r})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{s})-3-oxidanyltetradecanethioate
+CCc1c2cc(ccc2nn1c3ccc(cc3)O)O	EI1	3-ethyl-2-(4-hydroxyphenyl)-2h-indazol-5-ol
+Cc1ccc(nc1)c2ccc(cn2)C	EI3	5-methyl-2-(5-methylpyridin-2-yl)pyridine
+C1CNCC2=C1C(=O)NO2	EI7	4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
+c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccc(cc2)C#N)c3ccc4c(c3)C(=O)NC=C4	EI8	3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride
+c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccncc2)c3ccc4c(c3)C(=O)NC=C4	EI9	3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride
+CCCCC\C=C/C\C=C/CCCCCCCC(=O)O	EIC	linoleic acid
+CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)N=[N+]=[N-]	EIE	ethyl 8-[(azanylidene-$l^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{h}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC	EIJ	(2s)-1-{[(s)-hydroxy{[(1s,2r,3r,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5e,8e,11e,14e)-icosa-5,8,11,14-tetraenoate
+C[C@H](CCCC(C)(C)O)[C@H]1C[C@@H]([C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OC	EIM	(1r,3s,5z)-5-[(2e)-2-[(1r,3s,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-3-methoxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O	EIN	(1s)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid
+C[C@@H]1COCCN1c2cc(nc(n2)SC)C3(CC3)[S+](=N)(=N)=O	EIO	(3r)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine
+C[C@@H](CCO[P@](=O)(O)OP(=O)(O)O)CO	EIP	4-hydroxy-3-methyl butyl diphosphate
+CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O	EIS	n-{(2s,3r,4e)-3-hydroxy-1-[(3-o-sulfo-beta-d-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCn3ccnc3	EIT	((3r,4r,5r)-4-(2-(1h-imidazol-1-yl)ethoxy)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-tetrahydrofuran-2-yl)methyl dihydrogen phosphate
+Cn1cncc1[N+](=O)[O-]	EIV	1-methyl-5-nitro-1h-imidazole
+[H]/N=C(\N)/NCCC\C(=N/C=C\1/C(=CNC(=C1O)C)COP(=O)(O)O)\C(=O)O	EJ1	(2e)-5-carbamimidamido-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}pentanoic acid
+[H+]([Fe](C#N)(C#N)C#[O+])[Ni]	EJ2	ni-fe reduced active center
+c1ccc2c(c1)c3c([nH]2)[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8	EJ4	(4bs,8r,8as,14br)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9h)-diol
+c1cc(ccc1CCCC2=C(N=C(NC2=O)N)O)C(=O)O	EJ5	4-[3-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)propyl]benzoic acid
+Cc1ccc(c(c1C)[C@@H](C)[C@@H](C2=NNC(=O)O2)NS(=O)(=O)c3ccc(c4c3OCCN4C)Cl)F	EJ6	5-chloro-n-((1s,2r)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2h-benzo[b][1,4]oxazine-8-sulfonamide
+C[C@]1([C@H]2C[C@H]2OC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OC	EJ7	n-{3-[(1r,5s,6r)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide
+c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)CSCP(=O)(O)O)P(=O)(O)O	EJ8	[(2~{r},4~{a}~{r},6~{r},7~{a}~{r})-6-[2,4-bis(oxidanylidene)-5-(phosphonomethylsulfanylmethyl)pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{h}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
+Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)CCCO4)C	EJ9	(2s)-2-[2-(3,4-dihydro-2h-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+C([C@@H](C(=O)O)N)S/C(=N\O)/CC(=O)O	EJA	s-[(1z)-2-carboxy-n-hydroxyethanimidoyl]-l-cysteine
+CCc1c(cccn1)CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O	EJB	7-[5-s-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CCCOc1ccc2c(c1)cc[nH]2	EJC	5-propoxy-1h-indole
+c1cc(ccc1c2ccsc2)C(=O)O	EJD	4-(thiophen-3-yl)benzoic acid
+Cc1cc(cc(c1c2c(n(cn2)C)c3ccnc4c3ccc(c4)F)C)CN	EJE	[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2cc3ccccc3[nH]2	EJF	n-[(2s)-3-methyl-1-[[(2s)-4-methyl-1-oxidanylidene-1-[[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1h-indole-2-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@H](P(=O)(O)O)Cl)O)O	EJH	[(~{s})-chloranyl-[[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphonic acid
+c1cc(c(cc1c2c(c(c(c(c2F)F)C#N)F)F)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	EJK	4-[3-chloranyl-4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile
+CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CC(=O)CCCC(=O)O	EJL	(9z,12z,15z,18z,21z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid
+c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	EJN	(2~{r},3~{s},4~{s},5~{s},6~{r})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol
+CCN(CC)c1ccc2c(c1)OC(=O)C=C2	EJO	7-(diethylamino)chromen-2-one
+CN1c2ccc(cc2OC[C@@H](C1=O)N3CCc4c(nn(c4Cl)Cc5ccccc5)C3=O)C#N	EJP	(3s)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile
+c1cc(ccc1NC(=O)CN2CCCC2)F	EJQ	~{n}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide
+Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F	EJR	n-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+C[C@H]1[C@H]([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3nc(no3)COC)F)C(=O)Nc4ccc5c(c4)c[nH]n5	EJS	(4r,5r,6s)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-n-(2h-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide
+c1c(cc(cc1C(=O)NCCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)NCCCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CN=[N+]=[N-]	EJT	1,3-di(n-propyloxy-a-mannopyranosyl)-carbomyl 5-methyazido-benzene
+CN(C)Cc1ccc(cc1)c2ccc(n3c2nnc3)NCc4ccccc4OC	EJU	8-[4-[(dimethylamino)methyl]phenyl]-n-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
+CCCCCCCc1ccc(cc1)C(=O)O	EJV	4-heptylbenzoic acid
+c1ccc(cc1)c2cc(on2)C[NH3+]	EJW	(3-phenyl-1,2-oxazol-5-yl)methylazanium
+c1ccc(cc1)Cc2[nH]c3ccc(cc3n2)[N+](=O)[O-]	EJY	2-benzyl-5-nitro-1h-benzimidazole
+C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-]	EJZ	5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(ccc1c2c3c([nH]n2)CCCC3)Cl	EK0	3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1h-indazole
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C[C@@H](Cc4ccccc4)C(=O)O	EK1	(2r)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid
+c1c(cc(cc1Cl)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N4CCOCC4	EK2	{4-[4-(3,5-dichlorophenyl)-1h-pyrazol-5-yl]-1h-pyrrol-2-yl}(morpholin-4-yl)methanone
+c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)NC4CCCCC4)F	EK3	n-cyclohexyl-4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridin-2-amine
+c1ccc(cc1)[C@@H](CO)NC(=O)c2cc(c[nH]2)c3c(cn[nH]3)c4cccc(c4)C(F)(F)F	EK4	n-[(1s)-2-hydroxy-1-phenylethyl]-4-{4-[3-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}-1h-pyrrole-2-carboxamide
+c1cc(cc(c1)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)NCc4ccc5c(c4)CCO5	EK5	4-[4-(3-chlorophenyl)-1h-pyrazol-5-yl]-n-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1h-pyrrole-2-carboxamide
+CCOC(=O)CNCc1ccc(cc1Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N[C@H](CO)c4ccc(c(c4)Cl)F	EK6	ethyl n-{2-chloro-4-[5-(5-{[(1s)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]carbamoyl}-1h-pyrrol-3-yl)-1h-pyrazol-4-yl]benzyl}glycinate
+CN(C)c1c-2c(c(s1)C#N)CCc3c2nc(nc3)Nc4cccc(c4)O	EK7	9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)N3CCCCC3)C[C@@H](Cc4ccccc4)C(=O)O	EK8	(2r)-2-benzyl-3-[3-({[4-(piperidin-1-yl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid
+Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)c4ccccc4	EK9	n-[(1s)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1h-pyrrole-2-carboxamide
+C1CCC(CC1)N(C(=O)C(=O)O)O	EKA	[cyclohexyl(hydroxy)amino](oxo)acetic acid
+CCc1c(c(nc(n1)N)N)C#CCc2cc(c(c(c2)OC)OC)OC	EKB	6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
+C1CCC(CC1)NC(=O)C(=O)O	EKD	(cyclohexylamino)(oxo)acetic acid
+C[C@H]([C@H](CCC(=O)O)N)O	EKE	(4s,5r)-4-amino-5-hydroxyhexanoic acid
+CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5	EKF	n-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O	EKG	(2r)-2,3-dihydroxypropyl hexadecanoate
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Cl	EKH	 5-chlorotubercidin
+C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOC	EKJ	4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Br	EKK	5-bromotubercidin
+CCn1c2ccc(cc2c3c1ccc(c3)OC4CCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC	EKL	6-cyclobutyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
+C[n+]1ccc(c2c1cccc2)/C=C/Cc3[n+](c4ccccc4s3)C	EKM	1-methyl-4-[(1e)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium
+C(CN[C@@H](CC(=O)O)C(=O)O)N	EKN	(2~{s})-2-(2-azanylethylamino)butanedioic acid
+c1cc(ccc1CO[C@H](Cc2c[nH]cn2)c3ccc(cc3Cl)Cl)Cl	EKO	4-[(2r)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole
+Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3cccc(c3)C4CC4)Cc5ccc(cc5)C(C)(C)C(=O)O)C	EKP	2-{4-[(5-{[(1r)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1h-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid
+C(CN[C@@H](CC(=O)O)C(=O)O)N[C@@H](CC(=O)O)C(=O)O	EKQ	(2~{s})-2-[2-[[(2~{s})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]butanedioic acid
+CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4OCC5	EKR	n-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)C(C)(C)C)Cc4cccc(c4)OC(C)(C)C(=O)O)C	EKS	2-{3-[(5-{[(1s)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1h-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid
+CC(C)CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)C1(C)C)C	EKT	2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one
+c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O	EKU	1,3,5,8-tetrakis(oxidanyl)xanthen-9-one
+CCN(CC#CC#CC(C)(C)OC)Cc1cccc(c1)OC[Si](C)(C)c2ccccc2C	EKV	n-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-n-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine
+C[C@H](CS)C(=O)N1CCc2ccccc2[C@H]1C(=O)O	EKX	(1s)-2-[(2s)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1h-isoquinoline-1-carboxylic acid
+CC(C)(C)c1ccc(c(c1)O)O	EKZ	4-tert-butylbenzene-1,2-diol
+Cc1c2cc[nH+]cc2c(c3c1[nH]c4c3cccc4)C	EL	ellipticine
+CNC(=O)c1ccc(cc1O[C@@H]2CCN(C2)C(=O)c3ccc(s3)Br)c4ccccc4NS(=O)(=O)C	EL1	3-({(3r)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-n-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide
+CNC(=O)c1ccc2c(c1)nc(n2[C@@H]3CCC[C@@H](C3)NC(=O)c4ccc(s4)Br)c5ccccn5	EL2	1-[(1r,3s)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-n-methyl-2-(pyridin-2-yl)-1h-benzimidazole-5-carboxamide
+C[C@H]1CCC2=C(C([C@H]3CC[C@@]12C3)(C)C)C	EL3	(3s,3ar,6s)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1h-3a,6-methanoazulene
+C/C=C/1\[C@@H](C(=O)N\C1=C/C2=N/C(=C\c3c(c(c([nH]3)/C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C	EL5	biliverdin
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCCCC	EL6	[(2s)-2-octadecanoyloxypropyl] octadecanoate
+CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	EL7	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]heptadecanamide (non-preferred name)
+C[C@H](CCCCC(=O)NO)NC1=C(C(=O)C1=O)Nc2ccc(cc2)OC(F)(F)F	EL8	(6~{r})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{n}-oxidanyl-heptanamide
+CN1C=CN2[C]1[Pt]3(c4cc(cc(c4C5=[N]3C=CC=C5)F)F)[N]6=C2C=CC=C6	EL9	cyclometalated-carbene platinum(ii) complex
+CCCCCCCC\C=C\CCCCCCCC(=O)O	ELA	9-octadecenoic acid
+c1cc(c2c(c1)N(C(=O)N2)C3CCN(CC3)C(=O)Nc4ccc(cc4)I)N	ELB	4-(4-azanyl-2-oxidanylidene-3~{h}-benzimidazol-1-yl)-~{n}-(4-iodophenyl)piperidine-1-carboxamide
+CCCCCCCCC=CCCCCCCCC(=O)N	ELD	(9e)-octadec-9-enamide
+C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O	ELE	2-keto 3 deoxy 6 phospho gluconate
+C1C[C@H](C(=O)NC1)C[C@@H](C=O)N	ELF	(2s)-2-azanyl-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propanal
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2cccc(c2)CCCCC)O)O	ELG	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(3-pentylphenyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2h-pyran-2-yl]oxy}octanamide
+c1ccc2c(c1)cccc2c3nc(cs3)C(=O)O	ELH	2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid
+CC1=C(C(=O)c2ccccc2C1=O)CCCCCC(=O)O	ELI	6-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hexanoic acid
+Cc1ccc(cc1)C(C)C.c1ccc(cc1)NC2=[S][Os]([N]3=C2C=CC=C3)Cl	ELJ	chlorido(eta-6-p-cymene)(n-phenyl-2-pyridinecarbothioamide)osmium(ii)
+Cc1ccc(cc1OC)NC(=O)N2CCC(CC2)N3c4cccc(c4NC3=O)OC	ELK	~{n}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{h}-benzimidazol-1-yl)piperidine-1-carboxamide
+C1CNC(=O)[C@@H]1C[C@@H](C=O)N	ELL	(2s)-2-azanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propanal
+CCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	ELM	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetra hydro-2h-pyran-2-yl]oxy}octan-2-yl]dodecanamide
+c1cc(ccc1NC(=O)CC#N)Cl	ELN	~{n}-(4-chlorophenyl)-2-cyano-ethanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@](C)(c2ccccc2)P(=O)(O)O)O	ELP	(1r)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]-1-phenylethylphosphonic acid
+CN1CCN(CC1)C(=O)c2ccc(c(c2)F)F	ELQ	[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone
+C[C@@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O	ELR	phosphono [(3~{s},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2ccc(cc2)CCCCC)O)O	ELS	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetr ahydro-2h-pyran-2-yl]oxy}octan-2-yl]hexacosanamide
+CCOP(=O)(N(C)C)O	ELT	ethoxy-~{n},~{n}-dimethyl-phosphonamidic acid
+C[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O	ELU	phosphono [(3~{r},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
+CC(C)[C@@H](CO)N1C=C(C(=O)c2c1cc(c(c2)Cc3cccc(c3F)Cl)OC)C(=O)O	ELV	6-(3-chloro-2-fluorobenzyl)-1-[(1s)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+CN1C=C[C@](C1=O)(C#Cc2ccnc(c2)n3c4ccc(cc4c(n3)C(=O)N)F)O	ELW	5-fluoranyl-1-[4-[2-[(3~{r})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C	ELX	(2~{e},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
+CCN(CC)CCCC[C@@H](C(=O)O)N	ELY	n~6~,n~6~-diethyl-l-lysine
+CN1CC[C@](C1=O)(C#Cc2ccc3c(c2)-c4nc(c(n4CCO3)C(=O)NC5CCOCC5)C(=O)N)O	ELZ	10-[2-[(3~{r})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{n}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nn4)c5cccc(c5)N)C	EM1	(3as,4r,7s,9r,10r,11r,13r,15r,15ar)-1-{4-[4-(3-aminophenyl)-1h-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+C#Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O	EM2	(6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	EM4	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]hexacosanamide
+c1c(c(cc(c1S(=O)(=O)N)Cl)NC2CCCCC2)C(=O)NCCO	EM5	4-chloranyl-2-(cyclohexylamino)-~{n}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
+CCC1=C(N=C2C(=CNN2C1=O)C#N)C	EM6	6-ethyl-5-methyl-7-oxidanylidene-1h-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CNC(=O)c1c(ncc(n1)c2cccc(c2)c3[nH]nnn3)N	EM7	3-amino-n-methyl-6-[3-(1h-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide
+C[C@H](CC(=O)O)c1cccc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F	EM8	(3~{r})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid
+CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4C[C@H]([C@@H]([C@]4(CC3)C)O)Cl)O	EM9	n-butyl-11-[(7alpha,9beta,13alpha,14beta,16alpha,17alpha)-16-chloro-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-n-methylundecanamide
+c1nc(c2c(n1)n(cn2)CCOC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N	EMA	(adenin-9-yl-ethoxymethyl)-hydroxyphosphinyl-diphosphate
+CCOC(=O)NC	EMB	methyl-carbamic acid ethyl ester
+CC[Hg+]	EMC	ethyl mercury ion
+C[C@@H]1C(=NNC(=O)S1)c2ccc3c(c2)CCCN3C(=O)c4ccc(c(c4)OC)OC	EMD	5-[1-(3,4-dimethoxy-benzoyl)-1,2,3,4-tetrahydro-quinolin-6-yl]-6-methyl-3,6-dihydro-[1,3,4]thiadiazin-2-one
+CN[C@@H](CCC(=O)O)C(=O)O	EME	n-methyl-l-glutamic acid
+CCOC(=O)[C@H]1C[C@@H]1c2ccc(c(c2)OC)O	EMF	ethyl (1s,2s)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate
+CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	EMG	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]icosanamide
+CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C	EMH	9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5h-benzo[b]carbazole-3-carbonitrile
+CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	EMJ	2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione
+CC[C@@H]1[C@@]([C@@H]([C@H]([N@](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N@](C)CCCc4cn(nn4)[C@H](CF)[C@@H](c5ccc(cc5)S(=O)(=O)C)O)O)(C)O)C)C)C)O)(C)O	EMK	(2r,3s,4r,5r,8r,10r,11r,12s,13s,14r)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-[(3,4,6-trideoxy-3-{[3-(1-{(1s,2r)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}-1h-1,2,3-triazol-4-yl)propyl](methyl)amino}-beta-d-xylo-hexopyranosyl)oxy]-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranoside
+CC[N@](Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO	EML	2-{ethyl[(5-{[6-methyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol
+CN(C=C)C(=O)O	EMM	[methyl(vinyl)amino]methanol
+C[C@H](COCCOC)COC[C@H](C)N	EMN	(2s)-1-{[(2s)-3-(2-methoxyethoxy)-2-methylpropyl]oxy}propan-2-amine
+Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O	EMO	3-methyl-1,6,8-trihydroxyanthraquinone
+CCN[C@H]1CO[C@H](C[C@@H]1OC)O	EMP	2,4-dideoxy-4-(ethylamino)-3-o-methyl-alpha-l-threo-pentopyranose
+CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c4ccccc4	EMQ	1-[2-(dimethylamino)ethyl]-3-{[(2r,4as,5r,10bs)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2h-pyrano[3,2-c]quinolin-2-yl]methyl}urea
+C1COCCN1CCN	EMR	n-aminoethylmorpholine
+[H]/N=C(\N)/NC\C=C\C(=N/C=C\1/C(=CNC(=C1O)C)COP(=O)(O)O)\C(=O)O	EMS	(2e,3e)-5-carbamimidamido-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}pent-3-enoic acid
+CC[Hg]Sc1ccccc1C(=O)O	EMT	2-(ethylmercuri-thio)-benzoic acid
+c1ccc(cc1)CNc2c3c([nH]cn3)ncn2	EMU	n-benzyl-9h-purin-6-amine
+CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(c1)OCc2cc(cs2)c3ccsc3	EMV	(2e)-n-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-n-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine
+Cc1cc(ccc1NC(=O)N2CCN([C@H](C2)C)c3c4cnn(c4nc(n3)N)C)OC	EMW	(3~{s})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{n}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide
+COC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	EMZ	6-o-methyl-beta-d-galactopyranose
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)/C(=C(\F)/P(=O)(O)O)/O)CCOP(=O)(O)OP(=O)(O)O	EN0	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(z)-2-fluoro-1-hydroxy-2-phosphonoethenyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+c1cc(ccc1/C=C(\C(=O)O)/O)O	EN1	(2e)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
+CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(cc2)F	EN2	~{n}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
+c1cc2cc(c1)OCC/C=C/CCOc3cccc(c3)CC(=O)Nc4nnc(s4)CCCCc5ccc(nn5)NC(=O)C2	EN3	(e)-15,22-dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione
+C1CCC(C1)N(C(=O)C(=O)O)O	EN4	[cyclopentyl(hydroxy)amino](oxo)acetic acid
+C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCN	EN5	n-(10-aminodecanoyl)-l-seryl-n-(2-cyclohexylethyl)-l-lysinamide
+Cc1c(c(n(n1)c2cccc3c2sc(c3)Cc4cccc(c4)C(F)(F)F)CO)C(=O)NCCO	EN6	n-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide
+C[C@@]1([C@](Oc2cc(ccc2O1)N)(C)OC)OC	EN8	(2~{r},3~{r})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine
+c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2F)c3ncon3)[C@H](CCC(F)(F)F)C(=O)N)Cl	EN9	(2r)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[n+]6c5[nH]cc6)O)O)O)O)C(=O)N	ENA	etheno-nad
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](c2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C	ENB	ethyl (2e,4s)-4-[((2r)-2-{[n-(tert-butoxycarbonyl)-l-valyl]amino}-2-phenylethanoyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+CC[N+]#C	ENC	ethyl isocyanide
+C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@@H]([C@H](O4)CO)O)O[C@H]3[C@@H]2O	END	1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-d-glycero-d-allo-d-gulo-heptadeca-2,13-dienitol
+C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@H]5[C@H](O4)C\C=C/[C@@H]([C@H](O5)CO)O)O[C@H]3[C@@H]2O	ENE	(4z)-2,8:7,12:11,15:14,18:17,22-pentaanhydro-4,5,6,9,10,13,19,20,21-nonadeoxy-d-arabino-d-allo-d-allo-docosa-4,9,20-trienitol
+CCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1	ENF	n-{(5e)-10-[(9e)-tetradec-9-enoylamino]dec-5-enoyl}-l-seryl-n-(2-cyclohexylethyl)-l-lysinamide
+c1cc(c(cc1O)Br)C(=O)C=C(C(=O)O)O	ENG	(2z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+CN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	ENH	1,7,8,9,10,10-hexachloro-4-methyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione
+C1=C([C@H](C(=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)S)S(=O)(=O)O)C=S	ENJ	(4s)-5-methanethioyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic s-acid
+c1ccc(cc1)c2nc(on2)CN	ENK	(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine
+C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O	ENL	(1r,2s,3r,4s)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
+C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)CCOCc5cc(cc(c5)F)F	ENM	(5s,8r,9s,10s,13r,14s,17s)-13-{2-[(3,5-difluorobenzyl)oxy]ethyl}-17-hydroxy-10-methylhexadecahydro-3h-cyclopenta[a]phenanthren-3-one
+CCCCNC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N	ENN	~{n}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide
+c1cc(ccc1CC(=O)C(=O)O)O	ENO	3-(4-hydroxy-phenyl)pyruvic acid
+c1cn2cnc3c(c2n1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)OP(=O)(O)O	ENP	etheno-nadp
+c1c[n+]2cnc3c(c2[nH]1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)O	ENQ	[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(9h-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate
+CCn1c2ccc(cc2c3c1ccc(c3)OC(C)C)C(=O)NCc4ccc(cc4)S(=O)(=O)CC	ENR	9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide
+COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)C#N	ENS	methyl (2z)-3-[(3-chloro-1h-indol-7-yl)amino]-2-cyano-3-{[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate 
+CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@@H]1C(=O)NC)NS(=O)(=O)O	ENT	3(r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester
+CCn1c2ccc(cc2c3c1ccc(c3)OC4CCCCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC	ENU	6-cyclohexyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCCC(=O)CF)O	ENV	(2r)-n-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide
+CC(C)(CO)[C@@H](C(=O)NCCC(=O)NCCOC(=O)CF)O	ENW	2-({n-[(2s)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate
+CC/C=C/[C@H]([C@H]([C@@H](CC(=O)[C@H]([C@@H]([C@H](C)/C(=C/C=C/C=C(\C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N	ENX	enacyloxin iia
+COc1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O	ENY	(2z)-2-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid
+CC1[C@H](C(=O)N(N1)c2ccccn2)c3ccccc3	ENZ	(4~{r})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one
+CCn1c2ccccc2c3c1ccc(c3)C(=O)NCc4ccc(cc4)S(=O)(=O)CC	EO0	9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5c6ccccc6n(n5)C)C	EO1	7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-n-(1-methyl-1h-indazol-3-yl)-9h-pyrimido[4,5-b]indol-4-amine
+CC(=C)C[C@@H](C(=O)O)N	EO2	4,5-dehydro-l-leucine
+CCCCCCCCCCCCCCCCCCCCCC(=O)O	EO3	docosanoic acid
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5cc(nn5C)C6CC6)C	EO4	n-(3-cyclopropyl-1-methyl-1h-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9h-pyrimido[4,5-b]indol-4-amine
+Cc1ccn2c1C(=O)N(C(=N2)[C@H](C)Nc3c4c(c[nH]c4ncn3)c5cc(cc(c5)O)NS(=O)(=O)C)c6ccccc6	EO5	~{n}-[3-[4-[[(1~{s})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{h}-pyrrolo[ 2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C#N	EO6	(1r,2s)-2-[(n-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)Cl)N	EO7	2-chloro-5'-o-sulfamoyladenosine
+c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])C(=O)O)C(=O)O	EO8	4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid
+[B-]([C@@H](C)NC(=O)c1c(cccc1F)F)(O)(O)O	EO9	[(1s)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron
+c1ccc(cc1)CCNC=O	EOA	n-phenethyl-formamide
+c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O	EOB	{1,3-phenylenebis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	EOC	(2~{s})-4-methyl-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide
+CCCCC[C@H]1[C@H](O1)CCCCCCCCCCC(=O)O	EOD	11-[(2r,3s)-3-pentyloxiran-2-yl]undecanoic acid
+C1C[C@H](NC1)CC(=O)O	EOE	beta3-proline
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	EOF	(2~{s})-4-methyl-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl	EOG	1-(2-chlorophenyl)-n,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+CCO	EOH	ethanol
+C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S	EOI	[[(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-sulfanyl-phosphoryl] phosphono hydrogen phosphate
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7ccccc7Cl	EOJ	1-(2-chlorophenyl)-4-methyl-n-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+CC(=O)/N=C\1/NN([C@](S1)(C)c2ccccc2)C(=O)C	EOK	(~{n}~{z})-~{n}-[(5~{s})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide
+COc1cc(ccc1O)CC=C	EOL	2-methoxy-4-(prop-2-en-1-yl)phenol
+CCOC[O-]	EOM	ethyloxymethoxyl
+COc1ccccc1NC(=O)Nc2cc(ccc2O)S(=O)(=O)N	EON	1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
+COC(=O)N1CCCc2c1ccc(c2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O	EOO	(1~{s},6~{r})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{h}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
+C(CNC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O	EOP	{ethane-1,2-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
+c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl	EOQ	4-chloranyl-~{n}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide
+CC(C)(C)CNCCn1c2ccnc(c2nc1Sc3cc4c(cc3N(C)C)OCO4)N	EOR	2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4cc(ccc4Cl)OCC(C)C	EOS	1-[2-chloro-5-(2-methylpropoxy)phenyl]-n,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+c1cc(ccc1C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NCCO	EOT	[(1-[(bis-carboxymethyl-amino)-methyl]-2-{4-[3-(2-hydroxy-ethyl)-thioureido]-pheny}-ethyl)-carboxymethyl-amino]-acetic acid
+COC(=O)/C=C/C(=O)OC	EOU	dimethyl (~{e})-but-2-enedioate
+Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O	EOW	(6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
+CCO	EOX	ethyloxy group
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7cc(ccc7Cl)OCC(C)C	EOY	1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-n-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+c1c(cc(cc1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O	EOZ	3,5-bis[(phosphonoacetyl)amino]benzoic acid
+Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@H](O3)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C	EP	epothilone a
+CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)C[C@H](C(=O)OCC)O	EP0	n-[(3r)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-isoleucyl-l-proline
+C1CN(CCN1CCCS(=O)(=O)O)CCO	EP1	3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)NCC(=O)NCC(=O)OC)NC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)O	EP2	methyl n-[(2s)-4-{[(1s)-1-{[(2s)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-l-leucylglycylglycinate
+CN(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	EP4	5'-deoxy-5'-(dimethylamino)adenosine
+c1cc(ccc1C#N)N2CCN(CC2)C(=O)COc3ccc4c(c3)c(c[nH]4)CC[NH3+]	EP5	2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{h}-indol-3-yl]ethylazanium
+CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C4CC(C4)CCc5[nH]c6ccc(cc6n5)C(C)(C)C	EP6	5'-[{cis-3-[2-(5-tert-butyl-1h-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC	EP7	1-(2-chloro-5-methoxyphenyl)-4-methyl-n-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCc3c[nH]c4c3cccc4	EP8	5-[3-(1~{h}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)[C@@H](C=O)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	EP9	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s,3s)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]-l-leucinamide
+CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O	EPA	5,8,11,14,17-eicosapentaenoic acid
+Cc1nc(cs1)\C=C(/C)\[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)C	EPB	7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-methyl-2-(2-methyl-thiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@H](C)P(=O)(O)O)O	EPC	(1s)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]ethylphosphonic acid
+Cc1nc(cs1)/C=C(\C)/[C@@H]2C/C=C(\CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)/C	EPD	epothilone d
+C1CN(CCN1CCO)CCS(=O)(=O)O	EPE	4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
+C1[C@@H](O1)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	EPG	(2r)-oxiran-2-ylmethyl alpha-d-glucopyranoside
+CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN	EPH	l-alpha-phosphatidyl-beta-oleoyl-gamma-palmitoyl-phosphatidylethanolamine
+CCC1CCNCC1	EPI	4-ethylpiperidine
+c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl	EPJ	epibatidine
+CCN1C(=O)c2c(c(cs2)c3cccnc3)N=C1NC(C)C	EPK	3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3h)-one
+CCOP(=O)(OCC)Oc1ccc(cc1)OC	EPL	diethyl 4-methoxyphenyl phosphate
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O	EPM	n-palmitoyl-l-methionine
+c1cc(ccc1[N+](=O)[O-])OCCCO	EPN	3-(4-nitro-phenoxy)-propan-1-ol
+[C@@H]1(C(O1)C(=O)O)C(=O)O	EPO	(2r,3r)-oxirane-2,3-dicarboxylic acid
+CN(C)C(=O)CC[C@@H](C(=O)CF)N	EPQ	(4s)-4-amino-6-fluoro-n,n-dimethyl-5-oxohexanamide
+C/C(=C\c1ccccc1)/C=C2C(=O)N(C(=S)S2)CC(=O)O	EPR	{5-[(2e)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
+C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O	EPS	5-[(1-carboxyvinyl)oxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
+CCCCCCCc1ccc(cc1)O	EPT	heptanyl-p-phenol
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O	EPU	uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC(C)(C)C	EPV	1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-n-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+CC(C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)O)C(=O)O	EPW	cystargolide b- bound form
+c1cc(ccc1[N+](=O)[O-])OC[C@H](CO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	EPY	1-hydroxy-2-s-glutathionyl-3-para-nitrophenoxy-propane
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	EPZ	(2r)-2-{[(2r,3r,4r,5s,6r)-3-(acetylamino)-2-{[(s)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}propanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([N]4=C(N(C=C4)P(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)N)O)O)O)N=C(NC2=O)N	EQ1	[2-azanyl-3-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]phosphinic acid
+CC(=O)c1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2	EQ2	1-ethanoyl-9~{h}-pyrido[3,4-b]indole-3-carboxylic acid
+CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C	EQ3	(3'r)-3'-hydroxy-beta,beta-caroten-4-one
+c1cn(c(n1)N)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	EQ4	5'-o-[(r)-(2-amino-1h-imidazol-1-yl)(hydroxy)phosphoryl]guanosine
+c1ccc2c(c1)ccn2CCC(=O)O	EQ5	3-indol-1-ylpropanoic acid
+CC(C)CC(=O)C1=C(Nc2c(ccc(c2C1=O)N(=O)=O)Cl)Nc3ccc(cc3Cl)Cl	EQ7	8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1h)-one
+c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)S(=O)(=O)C4CCCCC4)[NH+]=O)C(F)(F)F	EQ8	[2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium
+Cc1nc(no1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccnc(c4)N	EQ9	1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
+c1ccc(c(c1)C(=O)C=C(C(=O)O)O)F	EQA	(2z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid
+CC[C@H](C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)O)C(=O)O	EQB	(2~{s},3~{s})-3-methyl-2-[(1~{r})-2-[[(2~{s})-3-methyl-1-[[(2~{s})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid
+COc1ccc(cc1OC)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O	EQC	arctigenin
+c1ccc(cc1)Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)Cl	EQD	5-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol
+CC(C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)O)C(=O)O	EQE	(2~{s},3~{r})-4-[[(2~{s})-3-methyl-1-[[(2~{s})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid
+C[C@@H]1[C@@H](C(=O)N(C1=O)Nc2ccc(c(n2)Cl)C(F)(F)F)C	EQF	(3~{r},4~{s})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione
+[H]/N=C(/N)\NOCC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc2ccccc2)O)NC(=O)OCc3ccccc3	EQG	benzyl [(6s,7s,10s,13s,18z)-18-amino-10-cyclohexyl-6-hydroxy-18-imino-7-(2-methylpropyl)-4,9,12-trioxo-1-phenyl-16-oxa-3,8,11,17-tetraazaoctadecan-13-yl]carbamate
+c1csc(c1C2CC2)c3cnc(c(n3)C4CCC(CC4)C(=O)O)N	EQH	cis-4-[3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid
+C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CCC2=O)O	EQI	equilin
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	EQJ	(e)-n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-arginine
+c1cc(c2c(ccc3c2c1C(=O)NC3=O)C(=O)O)C(=O)O	EQL	1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid
+CC(C)(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc2ccccc2)O	EQM	methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[(4r)-5-[[(2s)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)(C)C)C	EQN	4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid
+CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3)C(=O)O)C#Cc4ccccc4)C	EQO	4-{(e)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid
+CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O	EQP	(1r)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-d-glycero-d-galacto-octitol
+c1c(c(cc2c1nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C#N)C#N	EQQ	ruthenium (bis-(tetraazaphenanthrene)) (11,12-dicyano-dipyridophenazine)
+c1ccc2c(c1)N(C3=NC(=O)C(=NN23)CCC(=O)O)CC(=O)O	EQR	3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C#N	EQS	(1s,2s)-2-[(n-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1cc2c(c(c1)Cl)c(n[nH]2)N	EQT	4-chloranyl-1~{h}-indazol-3-amine
+C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O	EQU	equilenin
+C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	EQV	loganic acid
+c1c(cnc(n1)NC2CCOCC2)Cl	EQW	5-chloranyl-~{n}-(oxan-4-yl)pyrimidin-2-amine
+Cc1nc2c3ccccc3nc(n2n1)NNC(=O)CCC(=O)O	EQX	4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid
+COC(=O)c1c(nc2ncnn2c1c3cc(cc(c3)F)F)c4cccnc4	EQY	methyl 7-(3,5-difluorophenyl)-5-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
+COCCN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl	EQZ	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{h}-isoindol-1-one
+C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCCC(=O)OC[C@H]([C@H](CO)O)O	ER0	[(2~{r},3~{s})-2,3,4-tris(oxidanyl)butyl] (5~{r},9~{r},13~{r})-5,9,13,17-tetramethyloctadecanoate
+S1[Fe]2[S]3[Fe][S]4[Fe]1[S]2[Fe]34	ER2	fe4s4
+[Er+3]	ER3	erbium (iii) ion
+COCCCOc1ccc(c(n1)Cc2ccccc2)C#C[C@]3(CN4CCC3CC4)O	ER4	(3r)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol
+c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCCCCCC3)F)C(=O)O	ER5	4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid
+c1ccc2c(c1)nc(c3n2ccc3)N4CCC[C@H](C4)C(=O)O	ER6	(3r)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid
+Cc1c(c(n2c(n1)ncn2)c3cccc(c3)F)C(=O)C	ER7	1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
+CC(C)(C)NC(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl	ER8	~{n}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]ethanamide
+c1cc(cc(c1)NC(=O)c2[nH]c(nn2)n3cnnc3)C(=O)O	ER9	3-[[5-(1,2,4-triazol-4-yl)-4h-1,2,4-triazol-3-yl]carbonylamino]benzoic acid
+CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCCCC/C=C\CCCCCC/C=C/C=C/CCCCC)O	ERA	(7z,15e,17e)-n-[(2s,3s,4e)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide
+CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C	ERB	erythromycin b
+COc1cc(ccc1OCCCS)CCNC[C@@H](c2ccc(c3c2C=CC(=O)N3)O)O	ERC	8-hydroxy-5-[(1r)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1h)-one
+c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O	ERD	(2s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4h-chromen-4-one
+C[C@H]1[C@@H]([C@@](C[C@@H](O1)O)(C)N)O	ERE	4-epi-vancosamine
+B(Cn1cc(nn1)c2ccsc2)(O)OP(=O)(O)O	ERF	phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid
+CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C	ERG	ergosterol
+Cc1cc(cc(c1)O)C	ERH	3,4-dimethylphenol
+C[C@H]1[C@@H]([C@@](C[C@@H](O1)O)(C)O)OC(=O)C	ERI	3-c-methyl-4-o-acetyl-alpha-l-olivopyranose
+c1cscc1c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O	ERJ	9-beta-d-ribofuranosyl-6-(thiophen-3-yl)-9h-purine
+C[C@H](c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	ERK	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{r})-1-phenylethyl]ethanamide
+C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C	ERM	ergotamine
+CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)N)C)O)(C)O	ERN	(3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-10-amino-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-py ran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]oxy }-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one
+C=CC1=C(NC(=O)NC1=O)C(=O)O	ERO	5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc(cc1)c2ccc(cc2)C#Cc3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O	ERP	6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-d-ribofuranosyl-9h-purine
+Cn1ccc2c1ccc(c2)c3cc4nccc(n4n3)c5cc(c(c(c5)OC)OC)OC	ERR	2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
+c1ccc(cc1)N2CCN(CC2)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O	ERS	(2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9h-purin-9-yl]tetrahydrofuran-3,4-diol
+CC[C@]1(C[C@@H](c2c(c(c3c(c2O)C(=O)c4c(cccc4OC)C3=O)O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O	ERT	methyl (4r)-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-beta-d-ribo-hexopyranosyl]oxy}-1h,2h,3h,4h,6h,11h-tetracene-1-carboxylate
+CCCCCCCC\C=C/CCCCCCCCCCCC(=O)N	ERU	(13z)-docos-13-enamide
+CC(C)(C)N(C)C(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl	ERW	~{n}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-methyl-ethanamide
+Cc1ccc(cc1)c2cc3nccc(n3n2)c4cc(c(c(c4)OC)OC)OC	ERX	2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
+CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O	ERY	erythromycin a
+Cc1cnc(nc1)Nc2cnn(c2C)C	ERZ	~{n}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine
+c1cc2c(c(c1)O)[nH]c(n2)N	ES0	2-amino-1h-benzimidazol-7-ol
+c1ccc2c(c1)c(ccn2)O	ES1	quinolin-4-ol
+c1cc2c(cc1Cl)NC(=O)C2	ES2	6-chloro-1,3-dihydro-2h-indol-2-one
+c1c(nc[nH]1)Br	ES3	4-bromo-1h-imidazole
+c1[nH]c2c(n1)c(ncn2)Cl	ES4	6-chloro-9h-purine
+c1cc2cc(ccc2nc1)N	ES5	quinolin-6-amine
+C1=CNC(=O)C(=C1)C(=O)O	ES6	2-oxo-1,2-dihydropyridine-3-carboxylic acid
+Cn1c2ccccc2nc1N	ES7	1-methyl-1h-benzimidazol-2-amine
+c1ccc2c(c1)-c3ccccc3C2=NOCC(=O)O	ES8	[(9h-fluoren-9-ylideneamino)oxy]acetic acid
+c1cc2c(cc1Cl)nc[nH]2	ES9	5-chloro-1h-benzimidazole
+CCS(=O)(=O)O	ESA	ethanesulfonic acid
+CC/N=C/1\C=C(C(=O)C=C1O)C[C@@H](C(=O)O)N	ESB	3-[(3e)-3-(ethylimino)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine
+CCSCC[C@@H](C(=O)O)N	ESC	2-amino-4-ethyl sulfanyl butyric acid
+C(CSCC(=O)O)N	ESD	(2-amino-ethylsulfanyl)-acetic acid
+C[C@]12CC[C@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3)O	ESE	(1s,3ar,5r,7as)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol
+C[C@@H](C(=O)NC1c2ccccc2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O	ESF	(2s)-2-hydroxy-3-methyl-n-[(2s)-1-[[(5s)-3-methyl-4-oxo-2,5-dihydro-1h-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide
+CCN1C(=O)C[C@@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N	ESG	l-gamma-glutamyl-s-[(3s)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-l-cysteinylglycine
+[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)Cl)C(C)C)/N	ESH	4- [(1r,3as,4r,8as,8br)- 2- (4-chlorobenzyl)- 1- isopropyl- 3- oxodecahydropyrrolo[3,4- a]pyrrolizin- 4- yl]benzenecarboximidamide
+c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I	ESI	4-iodobenzo[b]thiophene-2-carboxamidine
+c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)O	ESJ	(4s)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+c1ccc(cc1)[C@@H](CO)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	ESK	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-2-oxidanyl-1-phenyl-ethyl]ethanamide
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O	ESL	estriol
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)OC	ESM	1,3,5(10)-estratrien-2,3,17-beta-triol 2-methyl ether
+Cc1cccc(c1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	ESN	(2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OP(=O)(O)O	ESO	o3-phosphonoestrone
+c1cc2cc(sc2nc1)C(=[NH2+])N	ESP	thieno[2,3-b]pyridine-2-carboxamidine
+c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)N(C2)CCN5CCOCC5	ESQ	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{h}-isoindol-1-one
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@H]3CCC(=O)C4	ESR	5-alpha-estran-3,17-dione
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)S(=O)(=O)C	ESS	(1r,2s)-2-[(n-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O	EST	estradiol
+CC(C)(c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	ESW	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-(2-phenylpropan-2-yl)ethanamide
+c1ccc2c(c1)cc(s2)C(=[NH2+])N	ESX	benzo[b]thiophene-2-carboxamidine
+CC[C@H](C)[C@H](C=O)[C@H](C(=O)NCCCC[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)O	ESY	benzyl n-[(benzyloxy)carbonyl]-l-alanyl-n~6~-[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]-l-lysinate
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)Br)O	ESZ	(14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol
+CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N	ET	ethidium
+COc1ccc2c(c1)c(c[nH]2)CCC(=O)O	ET0	3-(5-methoxy-1h-indol-3-yl)propanoic acid
+COc1ccc(cc1)S(=O)(=O)n2cc(c3c2ccc(c3)OC)CCC(=O)O	ET1	3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1h-indol-3-yl}propanoic acid
+c1cc2c(cc1F)[nH]c(n2)N	ET2	6-fluoro-1h-benzimidazol-2-amine
+CCc1c(cc(c(c1CC(=O)N(CCOC)CCOC)C(=O)c2ccc(c(c2)OC)OCCN3CCOCC3)O)O	ET3	2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{n},~{n}-bis(2-methoxyethyl)ethanamide
+c1c(ocn1)C2=C[C@H](N(C[C@@H]2NOS(=O)(=O)O)C(=O)O)CN	ET5	(3~{r},6~{s})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{h}-pyridine-1-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)S(=O)(=O)C	ET6	(1s,2s)-1-hydroxy-2-{[n-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1ccc(cc1)c2c3cc(ccc3[nH]n2)c4ccncc4	ET8	3-phenyl-5-(pyridin-4-yl)-1h-indazole
+C=C1[C@H](C[C@@H]([C@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)n2cnc3c2NC(=NC3=O)N	ET9	[[(1r,3s,5s)-3-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory l] phosphono hydrogen phosphate
+C(CO)N	ETA	ethanolamine
+CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NC)O	ETB	ethyl coenzyme a
+CC[C@@H]1Cc2cc(ccc2C3=C1c4ccc(cc4C[C@H]3CC)O)O	ETC	(r,r)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
+C#C	ETD	ethenylene group
+COCCOCCOCCOCCO	ETE	2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol
+C(C(F)(F)F)O	ETF	trifluoroethanol
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCOCCOCCNC(=O)C34CC5CC(C3)CC(C5)C4	ETG	(3s,5s,7s)-n-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+C[CH2]	ETH	ethyl group
+CCI	ETI	iodoethane
+c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCC3)F)C(=O)O	ETK	4-[2-[3-(cyclooctylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid
+C[N+](C)(C)CCS	ETM	2-(trimethylammonium)ethyl thiol
+CCNC	ETN	methylethylamine
+CCOC=O	ETO	ethoxycarbonyl group
+B(c1cccc(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)(O)O	ETP	3-(4-benzenesulfonyl-thiophene-2-sulfonylamino)-phenylboronic acid
+CCc1cc(c(c(c1O)C(=O)NC[C@@H]2CCC[N@]2CC)OC)Cl	ETQ	3-chloro-5-ethyl-n-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide
+CCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C	ETR	n-ethyl retinamide
+CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C	ETS	(4s-trans)-4-(ethylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide
+Cc1ccc(cc1)/C=C/CC2=C(O[C@H]([C@@H]([C@H]2O)NC(=O)C)C([C@@H](CO)O)O)C(=O)O	ETT	5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2e)-3-(4-methylphenyl)prop-2-en-1-yl]-d-glycero-d-galacto-non-2-enonic acid
+C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)Cl)C	ETU	(3r)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone
+C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F	ETV	4-amino-5-fluoro-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1h)-one
+Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O	ETW	5-[(4-methylphenyl)methylcarbamoyl]-2-(6-oxidanyl-3-oxidanylidene-4~{h}-xanthen-9-yl)benzoic acid
+CCOCCO	ETX	2-ethoxyethanol
+CCc1ccc(cc1)O	ETY	4-ethylphenol
+CCOCC	ETZ	diethyl ether
+[Eu+2]	EU	europium ion
+C[C@@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C	EU1	(2r)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)NC2	EU2	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one
+[Eu+3]	EU3	europium (iii) ion
+CC(C)n1c2c(c(n1)C#Cc3cccc4c3cnc(c4)c5cccc(c5)C(F)(F)F)c(ncn2)N	EU4	1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	EU5	(2~{s})-~{n}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{s})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide
+C[C@@H](C12CC3CC(C1)CC(C3)C2)N	EU7	(1s)-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine
+c1ccc(c(c1)C[S+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N(=O)=O	EU9	[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3r)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-[(2-nitrophenyl)methyl]sulfanium
+c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N	EUB	4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile
+CC1CCC[C@]2([C@H]1C[C@H](CC2)C(=C)C)C	EUD	eudesmane cation
+CS(=O)(=O)c1ccc2c(c1)sc(n2)N	EUE	6-methylsulfonyl-1,3-benzothiazol-2-amine
+CCSSc1nc2ccccc2s1	EUF	2-(ethyldisulfanyl)-1,3-benzothiazole
+C/C=C/c1ccc(c(c1)OC)O	EUG	2-methoxy-4-[(1e)-prop-1-en-1-yl]phenol
+c1cc2c(cc1SC(F)(F)F)sc(n2)N	EUH	6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O	EUI	[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-[3-oxidanyl-3-[(2s)-piperidin-2-yl]azetidin-1-yl]methanone
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC	EUJ	(2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate
+c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl	EUK	6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine
+c1ccc(c(c1)C(=O)Nc2c3c4c(sc3ncn2)CCCC4)Br	EUL	2-bromanyl-n-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide
+Cc1c(ccc2c1C(=O)NC(=N2)C)c3ccnc4c3cccc4	EUN	2,5-dimethyl-6-quinolin-4-yl-3~{h}-quinazolin-4-one
+CNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)cc[nH]3	EUO	6-(1h-indol-5-yl)-n-methyl-2-methylsulfonyl-pyrimidin-4-amine
+C([C@@H]([C@@H](C(=O)O)N)O)N	EUP	4-amino-l-allothreonine
+CCC(=O)NCCn1cc(nn1)CNCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl	EUQ	2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{n}-methyl-benzamide
+c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)CO)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl	EUR	4-chloranyl-n-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1h-imidazole-5-carboxamide
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)NS(=O)(=O)C)O	EUS	n-[(1r,2s,3s,4r,5s)-5-amino-4-{[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]methanesulfonamide
+c1c(cc(cc1F)F)N2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F	EUT	(8s)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6h-pyrimido[1,2-a]pyrimidin-4-one
+CCCNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)ccn3CCCN(C)C	EUU	6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-n-propyl-pyrimidin-4-amine
+CCC(=O)NCCNC1=C(C(=O)C1=O)NCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl	EUW	2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{n}-methyl-benzamide
+CC(C)n1c2cc(cc(c2c3c1cc(nc3)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6)OCC(F)(F)F)N7CCN(CC7)C	EUX	n-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine
+C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2)n3nccn3)(C(=O)NO)S(=O)(=O)C	EUY	(2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[4-(2h-1,2,3-triazol-2-yl)phenyl]pyridin-1(2h)-yl}butanamide
+CCCC1=CC(=O)NC(=N1)N	EV0	2-amino-6-propylpyrimidin-4(3h)-one
+COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC	EV1	1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline
+c1ccc2c(c1)nc(c(n2)N3CCCC3)N	EV2	3-pyrrolidin-1-ylquinoxalin-2-amine
+c1cc2c(cc1Cl)nc(n2CCCO)N	EV3	3-(2-amino-5-chloro-1h-benzimidazol-1-yl)propan-1-ol
+CN(C1CCCCC1)C(=O)CCCn2c3ccc(cc3nc2N)Cl	EV4	4-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-cyclohexyl-n-methylbutanamide
+CC[C@@H](CC(=O)NCC1CCCCC1)n2c3ccc(cc3nc2N)Cl	EV5	(3s)-3-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-(cyclohexylmethyl)pentanamide
+CC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n4c5ccc(cc5nc4N)Cl	EV6	(3s)-3-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]pentanamide
+c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4	EV7	2-[(naphthalen-2-yl)oxy]-5-(1h-pyrazol-4-yl)benzoic acid
+COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)sc(n4)N	EV8	methyl 1-[4-[[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]methyl]phenyl]carbonylpiperidine-4-carboxylate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COC(=O)[C@H](CCCCN)N)O)OC(=O)CCCCCCCCCCCCCCC	EV9	[(2~{r})-3-[[(2~{s})-3-[(2~{s})-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate
+[C@@H]1([C@@H]([C@H](NC(=O)[C@@H]1O)C(=O)O)O)O	EVA	(2s,3r,4s,5r)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	EVB	sulfonato-calix[8]arene
+CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OCCN4CCOCC4)N5CCN(CC5)C	EVC	n-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide
+c1ccc2c(c1)cc(o2)S(=O)(=O)N	EVD	1-benzofuran-2-sulfonamide
+c1ccc2c(c1)[nH]c(n2)S(=O)(=O)N	EVE	1h-benzimidazole-2-sulfonamide
+c1ccc2c(c1)nc(s2)S(=O)(=O)N	EVF	1,3-benzothiazole-2-sulfonamide
+c1cc(oc1)S(=O)(=O)N	EVG	furan-2-sulfonamide
+c1cnc([nH]1)S(=O)(=O)N	EVH	1h-imidazole-2-sulfonamide
+c1csc(n1)S(=O)(=O)N	EVI	1,3-thiazole-2-sulfonamide
+c1cc(sc1)S(=O)(=O)N	EVJ	thiophene-2-sulfonamide
+CC(C)Nc1cc(c(cn1)Cl)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl	EVK	4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{n}-[(1~{s})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{h}-pyrrole-2-carboxamide
+CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OC)N4CCC(CC4)N5CCN(CC5)C	EVL	n-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C-](CO)C(=O)O)O	EVM	l-serine, n-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]
+Cc1cc(cc(c1C(=O)O[C@@H]2CO[C@]3([C@H]4[C@H]2OCO4)O[C@H]5CO[C@H]([C@@H]([C@@H]5O3)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)COC)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)OC)O[C@H]8[C@H]([C@@]9([C@@H]([C@H](O8)C)O[C@@]1(O9)C[C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)O[C@@H]1C[C@]([C@H]([C@@H](O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)OC)O)O	EVN	(2r,3r,4r,6s)-6-{[(2r,3ar,4r,4'r,5's,6s,6'r,7s,7ar)-6-{[(2s,3r,4r,5s,6r)-2-{[(2r,3s,4s,5s,6s)-6-({(2r,3as,3a'r,6s,7r,7' r,7as,7a's)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4h-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}ox y)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2h-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2h-pyran-4- yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4h-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2r,4s,5r, 6s)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2h-pyran-2-yl]oxy}-2-methyltetrahydro-2h-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name)
+c1ccc2c(c1)/C(=C\c3cccnc3)/C(=O)N2	EVO	(3e)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2h-indol-2-one
+C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7)OC)O)OC)OCO5)O)O	EVP	(5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-o-[(1r)-ethylidene]-beta-d-glucopyranoside
+C[C@H](c1cccc(c1)OC)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	EVQ	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{r})-1-(3-methoxyphenyl)ethyl]ethanamide
+CCNS(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(c(c3)OC)N4CCC(CC4)N5CCN(CC5)C)CCc6cc(cc(c6)OC)OC	EVR	2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-n-ethyl-benzenesulfonamide
+C\C=C/1\C[N@@]2[C@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@@H]1[C@@H]3C=O	EVS	16-epi-vellosimine
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O	EVT	(2~{s})-2-[[(4~{s})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
+c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3	EVU	4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one
+CCCCC[C@H]([C@@H](CC)N(C=O)O)C(=O)NCNC(=O)c1ccc(o1)c2ccc(c(c2)OCC)C(=O)N[C@@H](CC(=O)O)C(=O)O	EVV	n-(2-ethoxy-4-{5-[({[(2r)-2-{(1r)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-l-aspartic acid
+c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N	EVW	2-azanyl-~{n}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide
+CCCCCCCC[C@H](CCCCCC)C(=O)N[C@H]1CCOC1=O	EVY	(2s)-2-hexyl-n-[(3s)-2-oxooxolan-3-yl]decanamide
+COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N	EVZ	methyl 1-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate
+Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC	EW0	7-chloranyl-4-[(3-methoxyphenyl)amino]-n-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide
+Cc1cc2c(c(n1)N)ncn2C3CN(C3)C(=O)c4ccn(c4)CC5CCN(CC5)[C@@H]6CCCCC=C6	EW1	[3-(4-amino-6-methyl-1h-imidazo[4,5-c]pyridin-1-yl)azetidin-1-yl][1-({1-[(1r)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl )-1h-pyrrol-3-yl]methanone
+c1ccc(cc1)n2cc(c(n2)c3c4ccccc4[nH]c3Cl)Cn5ccnc5	EW2	2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{h}-indole
+C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	EW3	[(2~{r},3~{r},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+Cc1cc2c(c(n1)N)ncn2C3(CN(C3)C(=O)c4ccn(c4)CC5CCN(CC5)[C@@H]6CCCCC=C6)C	EW4	[3-(4-amino-6-methyl-1h-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1r)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1h-pyrrol-3-yl]methanone
+c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4	EW5	1-phenyl-3-pyridin-4-yl-~{n}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
+C[C@](CO)(C(=O)O)N	EW6	alpha-methyl-l-serine
+CCCCCCCCCCCCCCCCCCC(=O)O	EW8	nonadecanoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)OC(C)(C)C	EW9	(1s,2s)-2-{[n-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+B([C@@H](C)NC(=O)c1c(cccc1OC)OC)(O)O	EWA	[(1s)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid
+[B-]([C@@H](C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O	EWB	[(1s)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)
+C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]23C(=O)N=C(N3)N)COP(=O)(O)O)O	EWC	[(2~{r},3~{s},5~{r})-5-[(5~{s})-7-azanyl-2,4,9-tris(oxidanylidene)-1,3,6,8-tetrazaspiro[4.4]non-7-en-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc(cc1)Oc2ccc(cc2C(=O)O)c3c[nH]nc3	EWD	2-phenoxy-5-(1h-pyrazol-4-yl)benzoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)[NH3+])O	EWE	[(2~{s})-3-(1~{h}-indol-3-yl)-1-[(2~{e})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium
+c1cc(cc(c1)C(=O)O)c2c[nH]nc2	EWG	3-(1h-pyrazol-4-yl)benzoic acid
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4NC(=O)C=C)Cl	EWH	~{n}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
+c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4F	EWJ	5-(3-fluoro-1h-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid
+c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N	EWK	4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{n}-(phenylmethyl)benzamide
+CCCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N	EWL	6-azanyl-2-butoxy-9-(phenylmethyl)-7h-purin-8-one
+CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O	EWM	n-[(3s)-2-oxooxolan-3-yl]dodecanamide
+CC(C)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F	EWN	6-[[(3~{s})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{h}-1,4-benzoxazin-3-one
+c1cc(ccc1[C@@H]2c3c([nH]cn3)CCN2)F	EWO	(4r)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine
+CC1=CC(=O)N(c2c1cc(cc2OC)OC)C	EWQ	6,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one
+CCO[C@@H](Cc1ccc(cc1)OCCn2c(ccc2c3ccc(cc3)SC)C)C(=O)O	EWR	(2s)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid
+c1cc(ccc1C[C@@H]2C[C@H](CC[NH2+]2)NC(=O)c3c[nH]c4c3cc(cc4)Br)Cl	EWS	(2r,4s)-4-[(5-bromo-1h-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium
+c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl	EWT	2-azanyl-~{n}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide
+COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N	EWU	6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7h-purin-8-one
+COc1cc2c(cc1OC)-c3cc4ccc5c(c4c[n+]3CC2)OCO5	EWV	epiberberine
+CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N	EWW	2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3cccnc3)N	EWX	6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7h-purin-8-one
+CC1=CC(=O)NC(=N1)SCC(=O)c2cccc(c2)S(=O)(=O)N	EWY	3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl	EWZ	5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
+CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5C[C@@H]6C[C@H]5CN6C)N	EX0	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine
+CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C	EX1	2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5C[C@@H]6C[C@H]5CN6C)C	EX3	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine
+C[C@@H]1CC(=O)Nc2c1c(ncn2)N3CCC(CC3)c4nc(cn4CCN5CCCC5)c6ccc(c(c6)C(F)(F)F)F	EX4	(5r)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1h-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6h)-one
+CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)C[C@H]5[C@@H]2O5)c6cc(c(cc6N3)OC)OC(=O)C)C(=O)OC	EX5	jerantinine b
+c1cc(cc(c1)Cl)CCc2[nH]c3c(n2)cccc3O	EX7	2-[2-(3-chlorophenyl)ethyl]-1h-benzimidazol-7-ol
+C1[C@@H]([C@@H]([C@H](N1)C=O)F)O	EX8	(2~{r},3~{r},4~{s})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde
+Cc1c(c(c(cn1)COP(=O)(O)O)[C@H](NCCCC[C@@H](C(=O)O)N)NC(=C)C(=O)O)O	EXA	n~6~-[(r)-[(1-carboxyethenyl)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-l-lysine
+c1ccc2c(c1)ncn2CCC(=O)O	EXB	3-(1h-benzimidazol-1-yl)propanoic acid
+CC1(c2cc3c(cc2C(N1[O])(C)C)OC4=CN(C(=O)N=C4N3)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C	EXC	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5' :5,6][1,4]oxazino[2,3-f]isoindol-2(3h)-one radical
+c1cc2c(c(c1)O)[nH]c(n2)C(F)(F)F	EXD	2-(trifluoromethyl)-1h-benzimidazol-7-ol
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F	EXE	(2~{r},3~{s},4~{s})-1-[(2~{s})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2c(cn3c(n2)ccn3)F	EXF	n-[(2r)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
+c1ccc(cc1)Cn2cnc3c2cccn3	EXG	1-benzyl-1h-imidazo[4,5-b]pyridine
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F	EXH	(2~{r},3~{r},4~{s})-1-[(2~{s})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC	EXI	n1-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-n1,n2-dimethylethane-1,2-diamine
+CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)Cl	EXJ	(3r)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile
+Cn1cc(c2c1cccc2)C[C@@H](C(=O)O)N	EXL	1-methyl-l-tryptophan
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C	EXM	(8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione
+CCn1c2ccc(cc2c3c1cc(cc3)c4ccco4)C[NH2+]C	EXN	[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium
+C=C1C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O	EXO	(1r,2s,3s,4r)-5-methylenecyclohexane-1,2,3,4-tetraol
+CC1=Nc2nc(nn2C(=O)C1)NCc3cccc(c3)Br	EXP	2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6h)-one
+CCn1c2ccc(cc2c3c1cc(cc3)c4cc(cs4)C)C[NH2+]C	EXQ	[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium
+c1ccc2c(c1)c(cs2)C[C@H](C(=O)O)N	EXR	(2r)-2-azanyl-3-(1-benzothiophen-3-yl)propanoic acid
+CC(C)(CO)[C@H](C(=O)NCCc1[nH]c2c(n1)cccc2O)O	EXS	(2r)-2,4-dihydroxy-n-[2-(7-hydroxy-1h-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCOP(=O)(O)O)O	EXT	{5-hydroxy-6-methyl-4-[(e)-{[2-(phosphonooxy)ethyl]imino}methyl]pyridin-3-yl}methyl dihydrogen phosphate
+CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C	EXU	1,3,7-trimethyl-9h-purine-2,6,8-trione
+c1cc(cc(c1)C(=O)O)[C@H]2CCC[C@@H]2c3[nH]c4c(n3)cccc4O	EXV	3-[(1s,2s)-2-(7-hydroxy-1h-benzimidazol-2-yl)cyclopentyl]benzoic acid
+CC1=CCCC(=C(C[C@]2(CC[C@H]([C@H]2CC1)C(=C)C)C)F)C	EXW	2-fluoro-3,7,18-dolabellatriene
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)c(c(c(c2Br)Br)Br)Br	EXX	4,5,6,7-tetrabromo-1-(2-deoxy-beta-d-erythro-pentofuranosyl)-1h-benzimidazole
+C1[C@H](O1)CCCC[C@@H](C(=O)O)N	EXY	6-[(2r)-oxiran-2-yl]-l-norleucine
+Cc1c(c(n[nH]1)C(F)(F)F)Cc2c(c3c(s2)N(C(=O)N(C3=O)C)C(C)C)C(=O)N4C[C@@](CO4)(C)O	EY0	3-methyl-5-[[(4~{r})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{h}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione
+c1cc(ccc1C23CC4CC(C2)CC(C4)C3)NC(=O)CSc5[nH]cnn5	EY1	2-[(4h-1,2,4-triazol-3-yl)sulfanyl]-n-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide
+CCn1c2ccc(cc2c3c1cc(cc3)Br)C[NH2+]C	EY2	(7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium
+CC(C)Oc1ccc2c(c1)cc[nH]2	EY3	5-propan-2-yloxy-1h-indole
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C	EY4	(3a,5a)-3-hydroxypregnane-11,20-dione
+CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C	EY5	erythromycin d
+c1cc2c(cc[nH]2)cc1OCCF	EY6	5-(2-fluoranylethoxy)-1h-indole
+COc1c(nc2ccccc2n1)CCC(=O)O	EY7	3-(3-methoxyquinoxalin-2-yl)propanoic acid
+c1cc2c(cc1C(=O)N3c4ccc(cc4OC[C@@H]3CS(=O)(=O)N)F)NC(=O)CO2	EY8	[(3~{r})-7-fluoranyl-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]methanesulfonamide
+COCCOc1ccc2c(c1)cc[nH]2	EY9	5-(2-methoxyethoxy)-1h-indole
+CN1C(=Nc2ccccc2C1=O)CCC(=O)O	EYA	3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
+CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C	EYB	[9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium
+c1cc(c(cc1NC(=O)CCl)S(=O)(=O)O)C#Cc2ccc(cc2S(=O)(=O)O)NC(=O)CCl	EYC	2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid}
+CCn1c2ccc(cc2c3c1cc(cc3)c4ccc(s4)C)C[NH2+]C	EYE	[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium
+COc1cccc(c1)Cn2ccc3c2ncc(c3)C(=O)NO	EYF	1-[(3-methoxyphenyl)methyl]-~{n}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide
+CSCCC([C@]1(N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)O)N	EYG	{(2r,4z)-2-[(1r)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazolidin-1-yl}acetic acid
+Cc1ccc(cc1N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5C)Cl)Cl	EYH	(4~{s})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one
+c1ccc2c(c1)nc(s2)CCC(=O)O	EYJ	3-(1,3-benzothiazol-2-yl)propanoic acid
+CC(C)(C)c1cc(ccc1O)O	EYK	2-tert-butylbenzene-1,4-diol
+c1ccc(cc1)Cn2ccc3c2nccc3C(=O)NO	EYL	~{n}-oxidanyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-4-carboxamide
+CN1c2ccccc2N=C(C1=O)CCC(=O)O	EYM	3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid
+CC(C)Cc1cc2c(cc1F)OC[C@@H](N2C(=O)c3ccc4c(c3)NC(=O)CO4)CC(=O)NC	EYN	2-[(3~{s})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{n}-methyl-ethanamide
+C1COCCOCCOCCOCCO1	EYO	1,4,7,10,13-pentaoxacyclopentadecane
+c1c2c(cc3c1nc(s3)CCC(=O)O)sc(n2)CCC(=O)O	EYP	3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid
+Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)[C@@H](C)N4CCN(CC4)C)NC(=O)C5CC5	EYQ	~{n}-[5-methyl-4-[7-[[(2~{r})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{h}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide
+CC[C@@H](C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	EYR	(6~{e},10~{e},14~{e},18~{e},22~{e},26~{e},30~{r})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene
+C([C@@H](C=O)[NH3+])S[SeH]	EYS	s-selanylcysteinal
+c1ccc2c(c1)nc(s2)CC(=O)O	EYV	(1,3-benzothiazol-2-yl)acetic acid
+C1CNC[C@@H]1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	EYW	5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-[(3~{r})-pyrrolidin-3-yl]pentanamide
+c1ccc2c(c1)ccc(n2)CCC(=O)O	EYY	3-(quinolin-2-yl)propanoic acid
+c1ccc(cc1)S[C@H](CC(=O)NCCCC[C@@H](C(=O)O)N)C(=O)O	EYZ	(2~{s})-2-azanyl-6-[[(3~{r})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid
+C=CC[Se]c1ccc(cc1)S(=O)(=O)N	EZ1	4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
+C[C@H](c1ccc(cc1)n2ccnc2)NC(=O)CCC3=NC(=O)c4ccccc4N3	EZ2	~{n}-[(1~{r})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{h}-quinazolin-2-yl)propanamide
+C[C@H]1CCC[C@@H](O1)[C@H]([C@H]2Cc3cc(cc(c3C(=O)O2)O)O)O	EZ3	(3r)-3-[(r)-[(2r,6s)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+C([C@H]([C@H]([C@@H](C(=O)N=O)O)O)O)O	EZ4	(2s,3r,4r)-2,3,4,5-tetrahydroxy-n-oxo-pentanamide
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)O)O)[C@H](C)CNC(=O)C)O)C)COC	EZ5	~{n}-[(2~{s})-2-[(1~{e},3~{r},4~{s},8~{r},9~{r},10~{r},11~{s},14~{s})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide
+CNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)C5(CC5)C(=O)O)n6ccc(n6)C(F)(F)F)F	EZ6	1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9h-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid
+CC(=O)Nc1ccc2c(c1)nc(o2)c3ccnc(c3)C(=O)N4CCN(CC4)[C@H](c5ccccc5)c6nnn(n6)C	EZ7	n-[2-(2-{4-[(r)-(2-methyl-2h-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide
+c1cc(ccc1CNC(=O)[C@H]2C[C@@H]([C@H](C[C@@H]2C(=O)NCc3ccc(cc3)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)n5cc(nn5)C[NH3+])OCCCl)CO	EZ8	[1-[(2~{s},3~{s},4~{r},5~{s},6~{r})-2-[(1~{s},2~{s},4~{s},5~{s})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium
+CCNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)OCC(C)(C)C(=O)O)n5ccc(n5)C(F)(F)F)F	EZ9	3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9h-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid
+CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)C(NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C	EZA	n-[(6as,12s,15as,17r,21r,23as)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2h,6h,11h,15h-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-nalpha-[(2e)-hept-2-enoyl]-l-phenylalaninamide
+Cc1c(ccc2c1C(=O)NC=N2)c3cccc4c3cccn4	EZB	5-methyl-6-quinolin-5-yl-3~{h}-quinazolin-4-one
+CCCC[C@@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3	EZC	2-[[(2~{r})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{h}-inden-5-yl]oxy]ethanoic acid
+c1cc(c(cc1O)O)/C=C/c2cc(cc(c2)O)O	EZE	trans-oxyresveratrol
+Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)Cc4ccc(cc4Cl)C(=O)OC)O)c5ccc(cc5)CN	EZF	methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)N)O)[N+](=O)[O-]	EZG	n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-l-histidinamide
+c1cc(c(cc1O)O)/C=C\c2cc(cc(c2)O)O	EZH	cis-oxyresveratrol
+c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)[NH+]=C3NCCN3)[NH+]=C4NCCN4	EZK	[4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium
+CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N	EZL	6-ethoxy-1,3-benzothiazole-2-sulfonamide
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](CCCCN)N)O)[N+](=O)[O-]	EZM	n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-l-lysinamide
+c1cc(c2cc[nH]c2c1)c3cc(cc(c3)Cl)CN	EZN	[3-chloranyl-5-(1~{h}-indol-4-yl)phenyl]methanamine
+CN(c1nc(cs1)c2ccccc2Cl)/N=C/c3ccccc3C(=O)O	EZO	2-[(e)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@@H](Cc2c[nH]cn2)N)O)N(=O)=O	EZP	n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-d-histidinamide
+CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6OC)N	EZR	3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-indazol-6-yl}aniline
+Cc1nc(cn1Cc2ccc(cc2)F)C(=O)C	EZS	1-{1-[(4-fluorophenyl)methyl]-2-methyl-1h-imidazol-4-yl}ethan-1-one
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(\C=C\c5ccccc5C(F)(F)F)O)O	EZT	(17beta)-17-{(e)-2-[2-(trifluoromethyl)phenyl]vinyl}estra-1(10),2,4-triene-3,17-diol
+C[C@H](C(=O)N1CC2(C1)COC2)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3	EZU	1-cyclopentyl-6-[[(2r)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5h-pyrazolo[3,4-d]pyrimidin-4-one
+CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N	EZV	4-{3-[7-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-indazol-6-yl}aniline
+CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6	EZW	5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate
+c1ccc(c(c1)CNCC(=O)O)N(=O)=O	EZY	n-[(2-nitrophenyl)methyl]glycine
+CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O	EZZ	(3~{s})-3-[2-[(dimethylamino)methyl]-1~{h}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one
+[F-]	F	fluoride ion
+C=CCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O	F00	(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F	F01	4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one
+CCN(CC)c1ccc(cc1)C(=O)NN	F02	4-(diethylamino)benzohydrazide
+CC(=O)NC1=Nc2ccccc2C(=O)N1	F03	n-(4-oxo-3h-quinazolin-2-yl)acetamide
+CCN1C(=O)c2ccccc2C(=N1)C	F04	2-ethyl-4-methyl-phthalazin-1-one
+c1ccc2c(c1)CN=C2N	F05	1h-isoindol-3-amine
+[H]/N=C(\N)/SCc1ccccc1Cl	F06	2-chlorobenzyl carbamimidothioate
+c1cncc2c1ncc3c2scc3	F07	thieno[3,2-c][1,6]naphthyridine
+COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2	F08	methyl 4-(4-oxo-4h-chromen-2-yl)benzoate
+CCCCCCCCCO	F09	nonan-1-ol
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O)OC	F0A	3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
+c1ccc(cc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O	F0B	(3~{s})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one
+COc1ccc(cc1)CC2=NCCC3=C2CCCC3	F0C	1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)CCBr	F0D	3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
+c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C(=O)NCCCNC(=O)OC8CCCCCCC8	F0E	cyclooctyl ~{n}-[3-[[4-[5-[[(3~{r})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{h}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate
+CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2	F0F	(1r,2s)-2-(aminomethyl)-n,n-diethyl-1-phenyl-cyclopropane-1-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O	F0G	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-alanine
+c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)Nc4ccnc(c4)C#CCCNC(=O)O[C@@H]5CCC/C=C\CC5)F)Cl	F0H	[(1~{r},4~{z})-cyclooct-4-en-1-yl] ~{n}-[4-[4-[[4-[1-[(1~{s})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
+COc1ccc(c(c1)OC)O	F0J	2,4-dimethoxyphenol
+Cn1cc(nc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O	F0K	(3~{s})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{h}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one
+C[C@@]1([C@@H](C2=[N]3C1=Cc4c(c(c5n4[Ni+2]36[N]7=C(C=C8N6C(=C2)[C@@]([C@@H]8CCC(=O)O)(C)CC(=O)O)C(=C(C7=C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	F0L	nickel-sirohydrochlorin
+COc1cc(ccc1O)N(=O)=O	F0M	2-methoxy-4-nitrophenol
+c1ccc2c(c1)c(c([nH]2)[C@H]3CCCN3)[C@@H]4c5ccccc5C(=O)N4	F0N	(3~{s})-3-[2-[(2~{r})-pyrrolidin-2-yl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one
+c1c(sc(n1)Cl)C(=O)O	F0O	2-chloranyl-1,3-thiazole-5-carboxylic acid
+c1cc(cc(c1)C(=O)N)CCN(CCC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	F0P	(2~{s})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid
+Cn1nc(nn1)CN(Cc2ccc(cc2)N)C(=O)NCC(=O)N3CCC[C@@H]3c4ccccc4Br	F0Q	1-[(4-aminophenyl)methyl]-3-[2-[(2~{r})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea
+Cc1ccccc1NC(=S)NCc2ccco2	F0R	1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea
+CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c(cccc3OC)OC)F)C(=O)Nc4ccc5c(c4)cn[nH]5	F0S	(4~{s})-4-[3-[(2,6-dimethoxyphenyl)methylcarbamoyl]-4-fluoranyl-phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide
+CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)CC2CC2	F0T	ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate
+Cc1cc(cc(c1NC(=O)c2cc(nn2c3c(cccn3)Cl)Br)C(=O)NC)Cl	F0U	5-bromanyl-n-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide
+Cc1ccc(cc1Cl)Nc2cc(nc3[n+]2nc([nH]3)Cc4ccccc4)C	F0V	2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3h-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
+CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2nnn(n2)C	F0W	ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate
+C[C@@]1([C@@H](C2=[N]3C1=Cc4c(c(c5n4[Co+2]36[N]7=C(C=C8N6C(=C2)[C@@]([C@@H]8CCC(=O)O)(C)CC(=O)O)C(=C(C7=C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	F0X	cobalt-sirohydrochlorin
+Cc1ccc2c(n1)[nH]c(n2)N[C@H](CC#N)c3cccc(c3)CC4CCN(CC4)C(=O)OC	F0Y	methyl 4-[(3-{(1r)-2-cyano-1-[(5-methyl-3h-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate
+c1ccc(c(c1)C2=NCCCN2)S	F0Z	2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol
+c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F	F10	2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCNc4c5ccccc5nc6c4CCCC6	F11	n,n'-di-1,2,3,4-tetrahydroacridin-9-ylpentane-1,5-diamine
+CC(=O)Nc1c(ccs1)C(=O)O	F12	2-(acetylamino)thiophene-3-carboxylic acid
+c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3	F13	3-fluoro-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide
+CC1=Nc2nc(nn2C(=O)C1)N[C@H](C)c3cccc(c3)Oc4ccc(cc4)OC	F14	2-({(1r)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6h)-one
+CCCCCCCCCCCCCCC(=O)O	F15	pentadecanoic acid
+c1cc(cc(c1)O)C2=CC(=O)NS2(=O)=O	F16	5-(3-hydroxyphenyl)isothiazol-3(2h)-one 1,1-dioxide
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)C3=CC(=O)NS3(=O)=O)C(=O)N)NC(=O)Cc4ccc(cc4)C5=CC(=O)NS5(=O)=O	F17	n-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-l-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-l-phenylalaninamide
+c1cc(ccc1/N=N\c2c([nH]nc2N)N)O	F18	4-[(e)-(3,5-diamino-1h-pyrazol-4-yl)diazenyl]phenol
+c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O	F19	2-[(2-naphthylsulfonyl)amino]ethyl dihydrogen phosphate
+Cc1cc(c(c(c1)C)S(=O)(=O)N)C	F1A	2,4,6-trimethylbenzenesulfonamide
+CC(=O)c1ccc2c(c1)/C(=C(\c3ccccc3)/NC4CCN(CC4)C)/C(=O)N2	F1B	(3~{z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{h}-indol-2-one
+CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3cccc(c3)NC(=O)C	F1C	3,5-bis(3-acetamidophenyl)benzoic acid
+CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)OC4CCN(CC4)C(=O)OC	F1D	methyl 4-(3-{(1r)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl}phenoxy)piperidine-1-carboxylate
+CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C	F1E	ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate
+Cn1c2c(cc(s2)C(=O)NCCS)c(n1)C(F)(F)F	F1G	1-methyl-3-trifluoromethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide
+c1ccc(cc1)CN2CCC(CC2)NC(=O)CCCS	F1H	n-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
+COc1cccc(c1CN2CCC(CC2)NC(=O)CCCS)OC	F1I	n-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
+c1cc(ccc1C[N@@]2CCN[C@@H](C2)C(=O)NCCS)F	F1J	(2s)-4-(4-fluorobenzyl)-n-(2-sulfanylethyl)piperazine-2-carboxamide
+c1cc(ccc1C[N@@]2CCN[C@@H](C2)C(=O)NCCCS)F	F1K	(2s)-4-(4-fluorobenzyl)-n-(3-sulfanylpropyl)piperazine-2-carboxamide
+COc1cc(cc(c1OC)CN2CCC(CC2)NC(=O)CCCS)Br	F1L	n-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
+CC(C)Oc1c(cc(cc1OC)Cl)CN2CCC(CC2)NC(=O)COc3ccc(cc3)S(=O)(=O)N	F1M	n-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide
+Cc1cc(ccc1OCC(=O)NC2CCN(CC2)Cc3cc(cc(c3OC(C)C)OC)Cl)S(=O)(=O)N	F1N	n-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
+C1[C@H]([C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O	F1P	1-o-phosphono-beta-d-fructopyranose
+CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2[nH]nnn2	F1Q	ethyl 2-[[(4-aminophenyl)methyl-(1~{h}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate
+COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCCNc4nc(nc(n4)N)N	F1R	n4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
+Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)Cl)NS(=O)(=O)C)C4CCOCC4	F1S	n-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2h-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide
+Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F	F1T	3,6-dimethyl-~{n}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
+CN(C)C[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O	F1U	(1s,2s)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
+CC(C)(C)C(=O)NCCc1c[nH]c2c1cc(cc2)OC	F1V	n-[2-(5-methoxy-1h-indol-3-yl)ethyl]-2,2-dimethylpropanamide
+CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2)NC(=O)CCCCN(C)C	F1W	4-~{tert}-butyl-~{n}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O	F1X	1-o-phosphono-beta-d-fructofuranose
+CCCc1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO	F1Y	n-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide
+CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(cc1)N	F1Z	ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N)NC(=O)c4ccccc4	F20	n-benzoyl-l-phenylalanyl-4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-l-phenylalaninamide
+c1cc2c(cc1S(=O)(=O)N3CCSCC3)CN[C@H](C2)CF	F21	(3r)-3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
+CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O	F22	(4z,7z,10z,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenoic acid
+CCCCCCCCCCCCCCCCCCCCCCC(=O)O	F23	tricosanoic acid
+C[C@H](CCCC[C@H]([C@@H](CO)C=O)O)CC(=CC(=CC(=O)O)C)C	F24	(7r,12r,13r)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid
+c1cc(ccc1CN2[C@@H]([C@H]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)C(N)N)C(F)F)F	F25	4-(1r,3as,4r,8as,8br)-[1-difluoromethyl-2-(4-fluorobenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine
+Cc1ccc(c(c1C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)C	F26	2-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene
+c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O	F27	6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
+C=CCn1c2c(cc(nn2)c3c4ccccn4nc3c5ccccc5)c(n1)N	F29	1-allyl-5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridazin-3-amine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)N	F2A	2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine
+c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N	F2B	n-(2,3-difluoro-benzyl)-4-sulfamoyl-benzamide
+c1ccc(cc1)CCCCCCC(=O)c2ncc(o2)c3cccc(n3)C(=O)O	F2C	6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
+CCCCCC/C=C/CC1=C(C(=O)c2ccccc2N1)C	F2D	3-methyl-2-[(2e)-non-2-en-1-yl]quinolin-4(1h)-one
+C[C@H]([C@@H](C(=O)N1CCCN1c2ccccc2Br)NC(=O)NCc3ccc(cc3)N)OCCCO	F2E	1-[(4-aminophenyl)methyl]-3-[(2~{s},3~{r})-1-[2-(2-bromophenyl)pyrazolidin-1-yl]-1-oxidanylidene-3-(3-oxidanylpropoxy)butan-2-yl]urea
+c1cc(c(cc1C[C@@H](C(=O)O)N)F)F	F2F	3,4-difluoro-l-phenylalanine
+CC(C)[C@@H](C(N[C@@H](C)C(N[C@@H](CC(O)O)[C@H](C)O)O)O)NC(O)OCC1CCCCC1	F2G	3-(2-{2-[(cyclohexylmethoxy-hydro-methyl)-amino]-1-hydroxy-3-methyl-butylamino}-1-hydroxy-propylamino)-pentane-1,1,4-triol
+c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)Nc5ccc(c6c5c(ccc6)S(=O)(=O)[O-])S(=O)(=O)[O-]	F2H	4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)I)O)C	F2I	n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-n,n-dipropylisophthalamide
+[H]/N=C(\c1cccs1)/Nc2ccc3c(c2)ccn3C4CCNCC4	F2J	n-[1-(piperidin-4-yl)-1h-indol-5-yl]thiophene-2-carboximidamide
+c1cc(ccc1[C@H]2C(=C(OC3=C2C(=O)NC(=O)N3)N)C#N)Cl	F2K	(5~{s})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
+CC(=O)Nc1c(cccc1F)F	F2L	~{n}-[2,6-bis(fluoranyl)phenyl]ethanamide
+C/C=C/N(C)Cc1ccco1	F2M	(~{e})-~{n}-(furan-2-ylmethyl)-~{n}-methyl-prop-1-en-1-amine
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CCc7ccccc7	F2N	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+O([Fe])[Fe]	F2O	mu-oxo-diiron(iii)
+C([C@H]([C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O	F2P	1,6-di-o-phosphono-d-allitol
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/N[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	F2R	adp-ribosyl-l-arginine
+CC[C@@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C	F2S	11-[(2r)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)S)O)F	F2T	2'-deoxy-2'-fluoro-5'-o-thiophosphonouridine
+C#CC1=CN(C(=O)NC1=O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	F2U	2'-deoxy-5-ethynyl-2',2'-difluorouridine
+C[NH+]1CCc2cc(c(cc2C1)OC)OC	F2W	6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium
+C[C@@H]1CC(=O)c2c(cccc2O)C1=O	F2X	(2~{r})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione
+c1c(cc(c(c1F)O)F)C[C@@H](C(=O)O)N	F2Y	3,5-difluoro-l-tyrosine
+COc1cc2c(cc1OC)CNC(=O)C2	F2Z	6,7-dimethoxy-2,4-dihydro-1~{h}-isoquinolin-3-one
+CC(=O)c1ccc(c(c1)OC)N	F31	1-(4-azanyl-3-methoxy-phenyl)ethanone
+c1ccc2c(c1)[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)Nc5nc6ccccc6s5	F32	(5s)-5-{4-[(2s)-2-(1h-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4=O	F33	2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydroquinazolin-4-one
+CC(=O)N[C@H]1CNC[C@H]([C@H]([C@@H]1O)O)O	F34	n-[(3s,4r,5r,6r)-4,5,6-trihydroxyazepan-3-yl]acetamide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CN4C(=O)CNC4=O	F35	3-[[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione
+CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	F36	2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one
+C[C@@]1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3	F37	(5s)-5-methyl-5-[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS(=O)(=O)N	F38	[4-(4-oxo-3,4-dihydroquinazolin-2- yl)phenyl]methanesulfonamide
+CCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(C)(C)CCCC(=CC=C/C(=C/C=C/C(=C/C=CC=C(C)C=CC=C(C)C=Cc2c(ccc(c2C)C)C)/C)/C)C)O)O)O	F39	[(2r,3s,4s,5r,6r)-6-[(10e,12e,14e)-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dodecanoate
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O)N	F3A	2'-deoxy-5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
+c1(c(c(c(c(c1Cl)F)Cl)F)Cl)F	F3B	1,3,5-trichloro-2,4,6-trifluorobenzene
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O	F3C	2'-deoxy-5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+CC/C(=C(/c1ccc(cc1)OCCNCCCC(=O)N(C)C)\c2ccc3c(c2)cn[nH]3)/c4ccccc4	F3D	4-[(2-{4-[(1e)-1-(1h-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-n,n-dimethylbutanamide
+c1ccc(cc1)c2ccnc(n2)N	F3E	4-phenylpyrimidin-2-amine
+c1ccc(cc1)C#Cc2ccc(o2)C(=O)Sc3[nH]c(nn3)C(F)(F)F	F3F	s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
+CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)COP(=O)(O)O	F3H	1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-altritol
+CC1O[Rh+]([Rh+](O1)(O)(O)O)(O)(O)O	F3I	(mi2-acetato-o, o')-hexaaquo-dirhodium (ii)
+CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCC7	F3J	11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)Br	F3K	ruthenium (bis-(tetraazaphenanthrene)) (11-bromo-dipyridophenazine)
+COC(=O)C[C@@H]([C@H](C(F)(F)F)N)O	F3M	methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-l-threo-pentonate
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N	F3N	3'-deoxy-3'-(l-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)
+c1ccc(cc1)C[C@@H](C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N	F3O	3'-o-l-phenylalanyladenosine 5'-(dihydrogen phosphate)
+CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O	F3P	(1s)-1-[(1s)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate
+c1ccc(cc1)N(c2ccc(cc2)O)C(=O)c3cc(n4c3CCCC4)c5cc6c(cc5C(=O)N7Cc8ccccc8C[C@H]7CN9CCOCC9)OCO6	F3Q	~{n}-(4-hydroxyphenyl)-3-[6-[[(3~{s})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{n}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
+S1[Fe]2S[Fe]3[S]2[Fe]1S3	F3S	fe3-s4 cluster
+C([C@@H]([C@H](C(F)(F)F)N)O)C(=O)O	F3T	4-amino-2,4,5-trideoxy-5,5,5-trifluoro-l-threo-pentonic acid
+CC(=O)CN	F3V	1-aminopropan-2-one
+c1cc(cc(c1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)/C=C/C#N	F3W	(~{e})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile
+c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccncc7	F3Z	(3~{r})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{n}-(3-pyridin-4-yl-1~{h}-indazol-5-yl)pyrrolidine-3-carboxamide
+c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	F40	2-phenyl-3h-quinazolin-4-one
+c1cc2c(cc1NC(=O)CN3CCCCC3)OCO2	F41	n-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
+C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	F42	coenzyme f420
+C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O	F43	factor 430
+c1ccnc(c1)CCCc2ccccn2	F44	2,2'-(propane-1,3-diyl)dipyridine
+c1cc(nc(c1)C(=O)c2ccc(c(c2)O)F)c3ccc(c(c3)O)O	F45	[6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)OCCN6CCOCC6	F46	n-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide
+c1cc(ccc1Cc2nnc3n2nc(cn3)c4ccc(cc4)F)O	F47	4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol
+c1cc(oc1CCC#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4	F48	3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile
+COc1c(c(c(c(c1Br)Br)Br)Br)CN2C(=O)C=CN(C2=O)CC(=O)O	F49	[2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2h)-yl]acetic acid
+c1cc(ccc1C(=O)N)Nc2c3c([nH]cn3)ncn2	F4A	4-[(9h-purin-6-yl)amino]benzamide
+c1cc(oc1/C=C/C#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4	F4B	(~{e})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
+c1ccc(c(c1)CNC(=O)C2=CC(=NN(C2=O)c3ccc(cc3)F)c4ccncc4)C(F)(F)F	F4C	2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-n-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide
+[H]/N=C(\c1ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)NS(=O)(=O)c4ccc(cc4)F)/N	F4D	4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide
+COC(=O)c1cc2c([nH]1)cco2	F4E	methyl 4~{h}-furo[3,2-b]pyrrole-5-carboxylate
+CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(C)O	F4F	(5as,6r,9s,9as)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
+c1cc(cnc1)c2cnc3n2cccc3C(=O)N	F4G	3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide
+CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@@H]2F)O)COP(=O)(O)O	F4H	1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-mannitol
+c1cc2c(cc1Nc3c4c(nc[nH]4)ncn3)C=NC2=O	F4J	5-[(7h-purin-6-yl)amino]-1h-isoindol-1-one
+c1ccn(c1)c2ccc(cc2)CO	F4K	(4-pyrrol-1-ylphenyl)methanol
+CC1C(N(C2=C(N1)NC(=NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O	F4M	1-[4-({(1r)-1-[(6s,7r)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -o-{5-o-[(r)-{[(1r)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-ribitol
+Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-]	F4N	~{n}-[(~{e})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{n},2-dimethyl-5-nitro-benzenesulfonamide
+Cc1c2c(c3c(c1OC(=O)C)c(c(c(c3O)C)OC)C(=O)/C(=C/[C@@](C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@@H](/C=C\C=C(\C(=O)N2)/C)C)O)C)O)C(=O)OC)O)C)O)(C)O)/C)O	F4O	6-methoxy-streptovaricin c
+c1cc(ccc1C(c2ccc(cc2)F)N3CCN(CC3)C(=O)n4cncn4)F	F4P	1-[bis(4-fluorophenyl)methyl]-4-(1h-1,2,4-triazol-1-ylcarbonyl)piperazine
+c1nc2c(n1[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)OP(=O)(O)O)O)N=C(NC2=O)N	F4Q	[(1~{s},2~{r},4~{r},6~{s},8~{r})-8-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate
+CCCCCCCCCCCCNC=S	F4R	n-dodecylmethanethioamide
+[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3	F4S	fe4-s3 cluster
+COc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2N3CCCCCC3)C(=O)OC	F4T	methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate
+c1cc2c(cc1O)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O	F4U	2-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione
+C1Cc2c(sc3c2C(=O)NC(=N3)CCC(=O)O)C1	F4W	3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid
+CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CCCCCCCC(=O)O)C	F4X	8-[2-[(e)-2-[4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid
+c1c(c(nc(c1Cl)Cl)O)Cl	F4Z	 3,5,6-trichloro-2-pyridinol
+CC(=O)OO	F50	ethaneperoxoic acid
+Cc1c(c2ccncc2nc1c3ccc(cc3)c4ccccc4)C(=O)O	F51	2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid
+c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O	F52	2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	F53	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate
+Cc1ccc(c(n1)Cl)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)O)C	F54	2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl	F55	n-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(C=CNC1=O)O	F56	3-[(e,2s,4s)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1h-pyridin-2-one
+CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O	F57	(2r)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate
+C1CCC(CC1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	F58	n-[(cyclohexylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+c1ccc(cc1)c2ccc(cc2)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	F59	n-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl	F5A	2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid
+c1c(c(c(c(c1F)F)F)F)F	F5B	1,2,3,4,5-pentafluorobenzene
+C(=C/C(=O)O)\c1c(c(c(c(c1F)F)F)F)F	F5C	penta-fluorocinnamic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OC(=O)CCCCC4C5[C@H](CS4)N[C@H](N5)O)OP(=O)(O)OP(=O)(O)O)O)O)N	F5D	5'-o-[(s)-({5-[(2r,3as,4s,6ar)-2-hydroxyhexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy){[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]adenosine
+CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cn(n2)C	F5E	~{n}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide
+C[C@@H]1C[C@@H]([C@H]([C@@H](C1)C=C)C2=C(C=CNC2=O)O)C	F5F	3-[(1r,2s,4r,6s)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1h-pyridin-2-one
+C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC=O	F5G	(2r,3r,4s,5r,6s)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)[C@H](C)OP(=O)(O)O	F5H	3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-o-phosphono-d-glycero-l-altro-heptitol
+CC1O[Rh+]2(OC(O[Rh+]2(O1)(O)O)C)(O)O	F5I	cis-bis(mi2-acetato-o, o')-tetraaquo-dirhodium(ii)
+c1ccc(cc1)[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O	F5J	7-[(5r)-5-c-phenyl-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C	F5L	(1r,2s)-1-hydroxy-2-{[n-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1cc(c(cc1N2C(=O)C=CC2=O)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O	F5M	5-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid
+c1ccc(cc1)NC(=O)Cc2cn3ccccc3n2	F5N	2-(imidazo[1,2-a]pyridin-2-yl)-n-phenylacetamide
+CC1=C(C(=O)N(C(=O)N1Cc2c(cccc2F)C(F)(F)F)C[C@@H](c3ccccc3)NCCCC(=O)O)c4cccc(c4F)OC	F5O	4-[[(1r)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid
+C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N	F5P	(2r,3r,4s,5r,6s)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3c4cccnc4ccc3N5CCCC5	F5Q	4-[4-(1-methylpiperidin-4-yl)butyl]-~{n}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide
+[H]/N=C(\c1ccc(cc1)Br)/N	F5R	4-bromanylbenzenecarboximidamide
+C[C@@H]1C[C@@H]2C(O2)/C=C\C=C\C(=N\OCc3ccc(cc3)OC)\Cc4cc(cc(c4C(=O)O1)O)O	F5S	(1ar,2z,4e,6e,14r,15ar)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12h-oxireno[e][2]benzoxacyclotetradecin-12-one
+CC1O[Rh+]23(OC(O[Rh+]2(O1)(OC(O3)C(F)(F)F)O)C)O	F5T	cis-bis(mi2-acetato-o, o')-(mi2-trifluoroacetato-o, o')-diaquo-dirhodium (ii)
+COc1ccc2c(c1)c(c[nH]2)CCN	F5U	2-(5-methoxy-1h-indol-3-yl)ethanamine
+Cn1cc(cn1)c2ccc3c(c2)C(=CN(C3=O)C)c4cccc(c4)NS(=O)(=O)C	F5V	n-{3-[2-methyl-6-(1-methyl-1h-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide
+COc1ccc2c(c1)[nH]cc2CCN	F5X	2-(6-methoxy-1h-indol-3-yl)ethanamine
+CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc(cc3)c4cnn(c4)C)C)OC	F5Y	4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1h-pyrazol-4-yl)isoquinolin-1(2h)-one
+CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cccn2	F5Z	4-[4-(1-methylpiperidin-4-yl)butyl]-~{n}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide
+c1cc(cc2c1cc[nH]2)O	F60	1h-indol-6-ol
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCC)O)O	F61	n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide
+CC1=CC(=O)N(c2c1cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C	F62	n-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
+CNCc1ccc(o1)Oc2cccnc2	F63	n-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine
+C[C@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C	F64	(2s)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3cc(ccc3N4CCCCCC4)C(=O)OC	F65	methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate
+Cc1c(c2ccccc2[nH]1)CCN	F66	2-(2-methyl-1h-indol-3-yl)ethanamine
+C[C@@H]1c2cc(ccc2C(=O)N1)Nc3ccncn3	F67	(3r)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1h-isoindol-1-one
+Cc1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	F68	n-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+c1ccc(c(c1)CO)c2cccs2	F69	(2-thiophen-2-ylphenyl)methanol
+c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3C(F)(F)F	F6A	n-biphenyl-3-yl-2-(trifluoromethyl)benzamide
+c1cc(c(c(c1)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F	F6B	n-(2,6-difluoro-benzyl)-4-sulfamoyl-benzamide
+CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C=O)C=C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCCC(C)CCCC(C)C)C(=O)OC)C)C	F6C	chlorophyll f
+Cc1cc(n2c(n1)nc(n2)N[C@H](CC#N)c3cccc(c3)Cl)NC[C@H](c4ccccc4OC)N	F6D	(3r)-3-[(7-{[(2s)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile
+CCCN1CCN(C[C@@H](C1=O)Cc2ccc(cc2)c3ccccc3)C(=O)c4c[nH]cn4	F6E	(6~{s})-1-(1~{h}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
+c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F	F6F	2-{[4-(trifluoromethoxy)benzoyl]amino}ethyl dihydrogen phosphate
+C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	F6G	6-amino-3-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1h)-one
+CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)[C@@H](C)OP(=O)(O)O	F6H	3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-o-phosphono-d-glycero-l-allo-heptitol
+CC(C)Cc1cc(ccc1C(=O)O)c2c[nH]c3c2cc(cn3)c4ccccc4	F6J	2-(2-methylpropyl)-4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
+C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCCCl)O	F6K	homosalinosporamide a - bound form
+CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)Cc5ccc(cc5)C(=O)O)C	F6L	4-[[2-[(e)-2-[4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2h-indol-1-yl]methyl]benzoic acid
+CCCNc1c(cnc(n1)Nc2ccc(cc2)C#N)C#CCCCNC(=O)[C@H](C)N(C)C(=O)C=CCN(C)C	F6M	n-[(2s)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-n-methyl-but-2-enamide
+c1c(nc(o1)CN)C(=O)O	F6N	2-(aminomethyl)-1,3-oxazole-4-carboxylic acid
+CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C	F6O	n4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O	F6P	6-o-phosphono-beta-d-fructofuranose
+c1ccc2c(c1)n(c-3[n+]2[Pd]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O	F6Q	n,n-pyridylbenzimidazole derivative-pd complex
+C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O	F6R	fructose -6-phosphate
+C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3c(cccc3F)F	F6T	(3~{s})-3-[2,6-bis(fluoranyl)phenyl]-~{n}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
+C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O	F6U	[(2r,3r)-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
+c1ccc(cc1)CCSc2ccc(cc2)S(=O)(=O)N	F6W	4-(2-phenylethylsulfanyl)benzenesulfonamide
+C[C@H]([C@@H](CO)NC(=O)CN1C=CC(=NC1=O)N)OP(=O)(O)O	F6X	[(2r,3r)-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
+c1cc2c(cc1C(=O)O)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O	F6Y	3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid
+c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O	F6Z	3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)OCC#N	F70	cyanomethyl 4-(4-oxo-4h-chromen-2-yl)benzoate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4	F71	3-hydroxy-n-[(2s,3r)-3-hydroxy-4-([(2s)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino)-1-phenylbutan-2-yl]benzamide
+c1ccc(cc1)C[C@@H]([C@@H](C[N@](CC2CCCCC2)S(=O)(=O)c3ccc4c(c3)scn4)O)NC(=O)c5cccc(c5)O	F72	n-{(2s,3r)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide
+C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)OP(=O)(O)O	F73	[(2r,3r)-3-[2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
+C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Cl)C(=O)N=C(N3)N)COP(=O)(O)O)O	F74	8-chloro-2'-deoxyguanosine 5'-(dihydrogen phosphate)
+c1c(nc(s1)CN)C(=O)O	F75	2-(aminomethyl)-1,3-thiazole-4-carboxylic acid
+c1ccc2c(c1)c(c3c(n2)CCCCC3)C(=O)OCC(=O)Nc4ccc(cc4)S(=O)(=O)N	F76	2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6h-cyclohepta[b]quinoline-11-carboxylate
+CCc1ccc(c(c1C)C(=O)O)NS(=O)(=O)c2ccc(cc2)F	F77	3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid
+COc1ccc(cc1)S(=O)(=O)[N@@](CCCc2ccccc2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O)O	F78	3-hydroxy-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide
+CCc1ccc(c(c1OCCN)C(=O)O)NS(=O)(=O)c2ccc(cc2)F	F79	2-(2-aminoethoxy)-3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}benzoic acid
+c1ccc(cc1)Oc2cccc(c2)NC(=O)c3ccccc3C(F)(F)F	F7A	n-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide
+c1cc2c(cc1Cl)C(=O)CCS2	F7B	6-chloranyl-2,3-dihydrothiochromen-4-one
+[C@H](C(=O)C(=O)O)(C(=O)O)O	F7C	(2~{s})-2-oxidanyl-3-oxidanylidene-butanedioic acid
+C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)CC#C	F7D	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+C[C@@H]1C(=O)[C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O	F7E	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},6~{r})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphate
+Cc1cc2c(cc1C)N3[C@@]4(O3)C(=O)NC(=O)N=C4N2C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O	F7F	3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)O)O	F7H	4-azanyl-1-[(1~{s},2~{r},4~{s},6~{s},8~{r})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one
+c1ccc(cc1)CNC(=O)c2ccc-3cc2OCCOCCNc4ccn5c(c3cn5)n4	F7I	~{n}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
+Cc1c(ccc2c1c(cn2C)C3CCN(CC3)C(=O)C4CCCC4)NC(=O)c5cccc(c5)C#N	F7J	3-cyano-n-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1h-indol-5-yl}benzamide
+c1nc2c(n1[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)O)O)N=C(NC2=O)N	F7K	2-azanyl-9-[(1~{s},2~{r},4~{s},6~{s},8~{r})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{h}-purin-6-one
+c1ccc(c(c1)COC[C@H](CN2CCCC2)O)F	F7L	(2s)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol
+Cn1cc(c2c1ccc(c2)NC(=O)c3cc(ccn3)C#N)C4CCN(CC4)C(=O)C5CCCCC5	F7M	4-cyano-n-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1h-indol-5-yl}pyridine-2-carboxamide
+CC(C)[C@@]1(CC[C@H](C1)[NH2+][C@H]2CCOC[C@H]2OC)C(=O)N3CCc4c(cc(cn4)C(F)(F)F)C3	F7N	[(3~{s},4~{s})-3-methoxyoxan-4-yl]-[(1~{r},3~{s})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{h}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium
+c1nc(c2c(n1)n(cn2)CC(=O)N[C@H](CO)COP(=O)(O)O)N	F7O	[(2r)-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
+C[C@H](C(C)(C)n1cc(c2c1cccc2)C[C@@H](C(=O)O)N)O	F7P	1-[(3r)-3-hydroxy-2-methylbutan-2-yl]-l-tryptophan
+C1=CC(C=CC1=O)(C[C@@H](C(=O)O)N)OO	F7Q	(2~{s})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid
+C1=CN(C(=O)N=C1N)CC(=O)N[C@H](CO)COP(=O)(O)O	F7R	[(2r)-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
+C[C@@H](C[C@@H](C(=O)O)NC)CO	F7S	(4s)-5-hydroxy-n-methyl-l-leucine
+c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O	F7T	alkylated sulphonate-n,n-pyridylbenzimidazole-pt complex
+c1nc2c(n1CC(=O)NC(CO)CO)N=C(NC2=O)N	F7U	2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-n-[1,3-bis(oxidanyl)propan-2-yl]ethanamide
+C/C=C/C[C@@H](C(=O)O)N	F7V	(2s,4e)-2-aminohex-4-enoic acid
+c1cc2c(c[nH]c2c(c1)F)C[C@@H](C(=O)O)N	F7W	7-fluorotryptophan
+c1nc2c(n1CC(=O)N[C@H](CO)COP(=O)(O)O)N=C(NC2=O)N	F7X	[(2r)-2-[2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
+Cc1cc(nc(n1)Nc2ccc(c(c2)C3=CCNCCC3)OC)NC	F80	n2-[4-methoxy-3-(2,3,4,7-tetrahydro-1h-azepin-5-yl)phenyl]-n4,6-dimethyl-pyrimidine-2,4-diamine
+COc1cccc(c1O)Br	F81	2-bromo-6-methoxyphenol
+CC(C)n1cc(cn1)NC(=O)Cc2ccc(cc2OC)Oc3c4cc(c(cc4ncn3)OC)OC	F82	2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{n}-(1-propan-2-ylpyrazol-4-yl)ethanamide
+c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CN[C@H](C3)CO)Cl	F83	(3r)-n-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
+CC(C)(C)c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	F85	n-[(4-tert-butylbenzoyl)carbamoyl]-beta-d-glucopyranosylamine
+c1cc(n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C#N	F86	[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)CC#C	F87	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC	F88	~{n}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
+CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O	F89	s)-2-(5(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid
+c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3)C(F)(F)F	F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1h-carbazole-8-carboxylic acid
+CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC	F8B	~{n}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C	F8C	(1s,2s)-1-hydroxy-2-{[n-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cc(ccc3O2)Cl)CO	F8D	1-[(3s,3as,8bs)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1h-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one
+COC(=O)c1cc(ccc1Br)Nc2c3cc[nH]c3ncn2	F8E	methyl 2-bromo-5-(7h-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate
+[C@@H]1(C(C([C@H](OC1O)C(=O)O)O)O)N	F8F	(2s,5s)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid
+C[C@@H]1CCC(=C([C@@]12CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)O	F8G	s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5r,10r)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name)
+CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Nc3c4c(cc(cc4F)OCCOC)ncn3	F8H	~{n}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
+CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc3ccn4c(c2cn4)n3	F8I	~{n}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
+CC(C)NC(=O)Cn1cc(c2c1cc(cc2)NC(=S)NCCc3c[nH]c4c3cccc4)CN5CCN(CC5)C	F8J	2-{6-({[2-(1h-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1h-indol-1-yl}-n-(propan-2-yl)acetamide
+C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2OC)c3cccc(c3)OC	F8K	[4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
+CC(=CCCC(=CCCC(=CCC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C\COP(=O)(O)O[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)/C)/C)/C)/C)/C)/C)/C)C)C)C	F8L	[(2z,6e,10e,14z,18e,22z,26z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2s,3s,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate
+CN(C)CCCc1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O	F8M	2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
+COc1cccc(c1)c2cccc(c2)CC3(CCOCC3)C(=O)NCCCn4ccnc4	F8N	~{n}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
+c1cc2c(cc1C3CCC(CC3)(F)F)C(=O)c4cc(c(nc4O2)N)C(=O)O	F8P	2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
+C[NH+](C)Cc1ccc(cc1)Nc2ccc(c(c2OC)F)c3cccc(c3)OC	F8Q	[4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
+CC(C)S(=O)(=O)c1ccccc1Nc2c3c(cc[nH]3)nc(n2)Nc4cc5c(cc4OC)CCN5C(=O)CN(C)C	F8R	2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5h-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone
+c1cc2c(cc1C3CCS(=O)(=O)CC3)C(=O)c4cc(c(nc4O2)N)C(=O)O	F8S	2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
+C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2)c3cccc(c3)OC	F8T	[4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
+C([C@@H]([C@H](CS(=O)(=O)O)O)O)S(=O)(=O)O	F8U	(2r,3r)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid
+CS[C@]1(CCN(C1)CC(=O)N2CCN(CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccc(cc7)F	F8V	(3s)-n-[3-(4-fluorophenyl)-1h-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide
+c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O)O	F8W	4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid
+[C@@H]1([C@@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N	F8X	2-amino-2-deoxy-beta-d-altropyranuronic acid
+CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)[C@H]1C)CC#C	F8Y	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+C[C@H]1CN(C(=O)c2cc(ccc2O[C@H]1CN(C)Cc3ccc4c(c3)OCO4)NC(=O)Nc5ccc(cc5)OC)[C@@H](C)CO	F8Z	1-[(2~{r},3~{s})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{s})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{h}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
+[H]/N=C(\N)/SCc1ccc(cc1)Cl	F90	4-chlorobenzyl carbamimidothioate
+c1cc2c(cc1NCc3ccncc3)OCCO2	F91	n-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
+c1cc(ccc1c2c(n(cn2)C3CCC(CC3)O)c4ccnc(n4)N)F	F92	4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol
+c1cc(c(cc1[C@@H]([C@H](C(=O)O)N)O)Cl)O	F93	(2r,3s)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid
+c1cc(cc(c1)O)C2=CC(=O)c3ccc(cc3O2)O	F94	7-hydroxy-2-(3-hydroxyphenyl)-4h-chromen-4-one
+c1cc(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O	F95	(7,8-dihydroxy-2-oxo-2h-chromen-4-yl)acetic acid
+CC(C)n1c2cc(ncc2cn1)Nc3cc(nc(n3)N4CCC(C4)(F)F)[C@@H]5CCNC5	F97	n-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3r)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-pyrazolo[4,3-c]pyridin-6-amine
+CC(=O)N(CCCP(=O)(O)O)O	F98	3-[ethanoyl(hydroxy)amino]propylphosphonic acid
+CN(C)Cc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F	F9A	n-{3-[(dimethylamino)methyl]phenyl}-2-(trifluoromethyl)benzamide
+c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O	F9B	2-[[(2~{s})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol
+C#CC[C@H](C(=O)O)N	F9D	(2r)-2-aminopent-4-ynoic acid
+CC(C)[C@@H](C(=O)OC[C@H](CO)OCn1cnc2c1NC(=NC2=O)N)N	F9E	[(2~{s})-2-[(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{s})-2-azanyl-3-methyl-butanoate
+c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O	F9F	2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate
+COc1ccc(cc1O)Br	F9G	5-bromo-2-methoxyphenol
+Cc1cc([nH]n1)Nc2nc(c(c(n2)O[C@@H](C)c3ncc(cn3)F)F)N4CCOCC4	F9J	5-fluoro-4-[(1s)-1-(5-fluoropyrimidin-2-yl)ethoxy]-n-(5-methyl-1h-pyrazol-3-yl)-6-morpholino-pyrimidin-2-amine
+CN1CCC[C@H](C1=O)C(=O)N[C@H]2CCCCCCCNc3ccc(cc3S(=O)(=O)NC(=O)[C@]4(C[C@H]4C=C)NC(=O)[C@@H]5C[C@H](CN5C2=O)OC(=O)N6Cc7cccc(c7C6)F)F	F9K	(1'r,2r,2's,6s,24as)-17-fluoro-6-(1-methyl-2-oxopiperidine-3-carboxamido)-19,19-dioxido-5,21,24-trioxo-2'-vinyl-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24a-octadecahydrospiro[benzo[s]pyrrolo[2,1-g][1,2,5,8,18]thiatetraazacycloicosine-22,1'-cyclopro-2-carboxylatepan]-2-yl 4-fluoroisoindoline
+CN(C)CCCNS(=O)(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	F9N	3-[[6-(cyclohexylmethoxy)-7~{h}-purin-2-yl]amino]-~{n}-[3-(dimethylamino)propyl]benzenesulfonamide
+C1CCC(CC1)C(=O)NO	F9P	n-hydroxycyclohexanecarboxamide
+Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F	F9Q	6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O	F9R	digitoxin
+c1ccc(cc1)CCCCOCCCCCCNCC(=O)c2ccc(c(c2)CO)O	F9S	1-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-{[6-(4-phenylbutoxy)hexyl]amino}ethan-1-one
+CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)Oc3cccc(n3)O	F9T	6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol
+C[C@]12CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@@H]3CCC4=O)C	F9U	(3z,5r,8r,9s,10r,13s,14r)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione
+c1ccc(cc1)C(CC(=O)O)C(=O)O	F9V	(2s)-2-phenylbutanedioic acid
+c1c(cc(cc1F)F)O[C@H]2C=C([C@@H]([C@@H]([C@H]2O)O)O)CO	F9W	(1~{r},2~{s},3~{s},6~{s})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
+CC[C@H]([C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O)O	F9X	(2s,3r)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid
+c1cc(cc2c1cc[nH]2)C#N	F9Y	1h-indole-6-carbonitrile
+CN1CC[C@@H]([C@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O	F9Z	2-(2-chlorophenyl)-8-[(3~{r},4~{r})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N	FA	folic acid
+c1cc(c(cc1F)N)C(=O)O	FA0	2-amino-4-fluorobenzoic acid
+C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O	FA1	2,3 -anhydro-quinic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)(O)O)O)N	FA2	5-(6-amino-9h-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate
+C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O	FA3	2-anhydro-3-fluoro-quinic acid
+[H]/N=C(/N)\NCc1ccccc1CCCCCCCCCC(=O)N[C@H](CCCCN)C(=O)NO	FA4	sm-25453
+c1ccc(cc1)C[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	FA5	adenosine-5'-[phenylalaninyl-phosphate]
+C1[C@H]([C@@H](/C(=N/O)/C[C@]1(C(=O)O)O)O)O	FA6	3-hydroxyimino quinic acid
+CC(C)C\C=C\C=C/C(=O)O	FA7	(2z,4e)-7-methylocta-2,4-dienoic acid
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@H]3N2)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FA8	[[(2r,3s,4s)-5-[(4as)-7,8-dimethyl-2,4-dioxo-4a,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
+Cc1cc2c(cc1C)N3C(=O)CC([C@@]34[C@@H](N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8	FA9	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(3r,3as,7ar)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)Cc7ccc(cc7)O	FAA	n5-(4-hydroxybenzyl)flavin-adenine dinucleotide
+Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)C(=O)C(C)C	FAB	flavin-adenine dinucleotide-n5-isobutyl ketone
+C(C(F)(F)F)(C(F)(F)F)(O)O	FAC	1,1,1,3,3,3-hexafluoropropanediol
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FAD	flavin-adenine dinucleotide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O	FAE	flavin-n7 protonated-adenine dinucleotide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C=O)NC(=O)C	FAF	2-acetylamino-4-methyl-pentanoic acid (1-formyl-2-phenyl-ethyl)-amide
+COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O	FAG	[1',2'-dideoxy[2-amino-5-([9-hydroxy-aflatoxinb2-8-yl]-formyl-amino)-6-oxo-1,6-ihydro-pyrimidin-4-ylamino]-ribofuranose]-5-monophosphate group
+C(C(=O)O)F	FAH	fluoroacetic acid
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N	FAI	5-(formylamino)-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxamide
+Cc1cc2c(cc1C)N3[C@@H](C[C@@H]([C@]34C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8ccccc8)O	FAJ	fad-trans-2-phenylcyclopropylamine adduct
+C(CCNC(=O)C(F)(F)F)C[C@@H](C(=O)O)N	FAK	n~6~-(trifluoroacetyl)-l-lysine
+CN(C)C[C@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O	FAL	(2r)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@H](C(=O)N)F)O	FAM	alpha-fluoro-amidocarboxymethyldethia coenzyme a complex
+c1ccc(cc1)NC=O	FAN	formanilide
+Cc1cc2c(cc1C)[N@@]([C@@H]3[C@H](N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FAO	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(4as,10ar)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+CN(C)C[C@@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O	FAP	(2s)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)Cc4ccccc4)O	FAQ	phenylacetyl coenzyme a
+C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	FAR	farnesyl
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FAS	arabino-flavin-adenine dinucleotide
+CCCCCCCCCCCCCCCC(=O)O	FAT	1-hexyldecanoic acid
+CN(c1ccccc1Cl)C(=O)c2cc3c(s2)-c4ccccc4OC3	FAV	n-(2-chlorophenyl)-n-methyl-4h-thieno[3,2-c]chromene-2-carboxamide
+CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC	FAW	(2s)-3-hydroxypropane-1,2-diyl ditetradecanoate
+c1nc(c(c(n1)N[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(O)O)NC=O)N	FAX	[(1r,2s,4r)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate
+Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FAY	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate
+CC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccccc4Cl	FAZ	8-(acetylamino)-n-(2-chlorophenyl)-n-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
+C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=CC=O)CCO1)(C(=O)N2)O)O)O	FB	5a-formylbicyclomycin
+C[C@H](CCN)[C@@H](C)CCN(C[C@@H]([C@@H]([C@@H](COP(=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O)O)CNC(=O)NC(=O)C	FB0	(2r,3s,4s)-5-({[(acetylcarbamoyl)amino]methyl}[(3s,4r)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+c1ccc(c(c1)S(=O)(=O)N)Cl	FB1	2-chlorobenzenesulfonamide
+c1ccc(cc1)S(=O)(=O)N	FB2	benzenesulfonamide
+c1cc(c(cc1Cl)N)Oc2ccc(cc2O)Cl	FB4	2-(2-amino-4-chlorophenoxy)-5-chlorophenol
+B(CCCC[C@@](C(F)F)(C(=O)O)N)(O)O	FB5	2-(difluoromethyl)-6-(dihydroxyboranyl)-l-norleucine
+B(CCCCC(C)(C(=O)O)N)(O)O	FB6	6-(dihydroxyboranyl)-2-methyl-l-norleucine
+c1c(cc(nc1N2CCOCC2)N3CCOCC3)c4cnc(cc4C(F)(F)F)N	FB7	5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
+Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)C	FB8	4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{n}-(4-methylsulfonylphenyl)pyrimidin-2-amine
+COC[C@@H]1[C@@H]([C@H]2N1C[C@@H]([C@@H](CN(C2)C(=O)Nc3ccc(cc3)OC4CC4)O)O)c5ccc(cc5)C#Cc6ccccc6	FB9	(3s,4r,8r,9r,10s)-n-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
+c1cc(ccc1C[NH3+])F	FBA	4-fluorobenzylamine
+c1cc2c(cc1F)sc(n2)N	FBB	6-fluoro-1,3-benzothiazol-2-amine
+c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O	FBC	3',5'-difluorobiphenyl-4-carboxylic acid
+c1cc(ccc1CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F	FBD	n-({(1r)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-l-glutamic acid
+C(/C=C/CN)C(=O)O	FBE	(3e)-5-aminopent-3-enoic acid
+[H]/N=C(/c1ccc(cc1)C(F)(F)F)\N	FBF	4-(trifluoromethyl)benzenecarboximidamide
+c1c(cc(c2c1COCO2)C(=O)O)F	FBG	6-fluoro-4h-1,3-benzodioxine-8-carboxylic acid
+CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O	FBI	7-[4-(4-fluoro-phenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl] -3,5-dihydroxy-heptanoic acid
+C1CC=C(C1)C(=O)NO	FBJ	n-hydroxycyclopent-1-ene-1-carboxamide
+c1cc(cc(c1)C(=O)O)c2cccc(n2)c3cccc(c3)O	FBK	3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid
+CN(C)C[C@@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O	FBL	(2s)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
+C1CCC(=CC1)C(=O)NO	FBM	n-hydroxycyclohex-1-ene-1-carboxamide
+c1c(cc(c(c1C(=O)NCc2cn(nn2)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)[N+](=O)[O-]	FBN	5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1h-1,2,3-triazol-1-yl]adenosine
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)NO)N	FBO	l-phenylalanyl-n6-[(benzyloxy)carbonyl]-n1-hydroxy-l-lysinamide
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O	FBP	1,6-di-o-phosphono-beta-d-fructofuranose
+Cc1c(c(c2c(n1)cccc2F)N)CSCc3cccc(c3)C(C(F)(F)F)(O)O	FBQ	1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]thio}methyl)phenyl]-2,2,2-trifluoroethane-1,1-diol
+CCCC[C@@]12CCC(=O)C(=C1c3ccc(cc3C2)O)Br	FBR	(9as)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3h-fluoren-3-one
+c1cc(ccc1F)S(=O)(=O)N	FBS	4-fluorobenzenesulfonamide
+c1cc(c(c(c1)F)S(=O)(=O)N)F	FBT	2,6-difluorobenzenesulfonamide
+c1c(cc(cc1F)S(=O)(=O)N)F	FBU	3,5-difluorobenzenesulfonamide
+c1ccc(c(c1)F)S(=O)(=O)N	FBV	2-fluorobenzenesulfonamide
+c1cc(cc(c1)S(=O)(=O)N)F	FBW	3-fluorobenzenesulfonamide
+CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F	FBX	ethyl n-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
+CCCCN1c2cnc(nc2N([C@@H](C1=O)C)C)Nc3cc(c(c(c3)F)O)F	FBY	(7r)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5h)-one
+C[C@@H](CC(=O)O)c1ccccc1	FBZ	(3s)-3-phenylbutanoic acid
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)O	FC0	n-carboxy-l-phenylalanine
+CN(C)CCCOC1=CC(=O)Sc2c1cccc2	FC1	thiocoumarin
+c1cc(c(cc1Cl)c2ccc(o2)C(=O)O)Cl	FC2	5-(2,5-dichlorophenyl)-2-furoic acid
+c1ccc(c(c1)c2ccc(o2)C(=O)O)C(F)(F)F	FC3	5-[2-(trifluoromethyl)phenyl]-2-furoic acid
+C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl	FC4	(2r)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide
+c1cc2c(cc1O)C=CC(=S)O2	FC5	6-hydroxy-2h-chromene-2-thione
+C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N	FC6	hexacyanoferrate(3-)
+C[C@@H]1[C@@H]2CC[C@@H](C2=C[C@]3([C@@H]4[C@@H](CCO4)C(=C3[C@H]([C@@H]1O)O[C@@H]5[C@@H]([C@H]([C@H]6[C@H](O5)COC(O6)(C)C)O)O)C(C)C)C)COC	FC7	fusicoccin a-thf
+CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N	FC8	~{n}2-[(1~{r},2~{s})-2-azanylcyclohexyl]-~{n}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine
+c1cc(ccc1n2cc(nn2)CNC(=S)Nc3ccc(c(c3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O)S(=O)(=O)N	FC9	2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1h-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	FCA	alpha-d-fucopyranose
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	FCB	beta-d-fucopyranose
+c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4ccncc4)Cc5ccncc5	FCC	1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
+c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl	FCD	5-(2-chlorophenyl)furan-2-carboxylic acid
+CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NC(CCCN(O3)C(=O4)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCN1O5)C(=O)N6)C	FCE	ferrichrome
+c1cc(cc(c1)C(=O)O)\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2	FCF	3-[(1e,7e)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
+Cc1cc2c(cc1C)[N@]3[C@@H](CC[C@@]34C(N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4O)O	FCG	(n5,c4a)-(alpha-hydroxy-propano)-3,4,4a,5-tetrahydro-flavin-adenine dinucleotide
+c1ccc(cc1)C[C@@H]([C@@H](CNCC2CCCCC2)O)N	FCH	(2r,3s)-3-amino-1-[(cyclohexylmethyl)amino]-4-phenylbutan-2-ol
+CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C	FCI	ferricrocin-iron
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N	FCJ	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine
+c1cc(cc(c1)C(=O)O)CNCCCON=CC2=CC(=O)NC(=O)N2	FCK	3-({[3-({[(1e)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid
+c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N	FCL	3-chloro-l-phenylalanine
+CCc1cc(c2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC)F	FCM	(9as)-8-acetyl-n-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
+C[C@H]1[C@H](O1)P(=O)(O)O	FCN	fosfomycin
+C(#N)[Fe](=C=O)C#N	FCO	carbonmonoxide-(dicyano) iron
+CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O	FCP	(2r)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
+CC(C)c1c2c(c(nc(n2)SCCN)NCc3ccc(cc3)c4ccccn4)n[nH]1	FCQ	5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{n}-[(4-pyridin-2-ylphenyl)methyl]-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+c1cc(ccc1C(F)(F)F)O	FCR	alpha,alpha,alpha-trifluoro-p-cresol
+C[C@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)CC#C	FCS	(7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)F)O)CO)CO)O)O)O)O	FCT	deoxy-2-fluoro-b-d-cellotrioside
+c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cc(cc(c2)F)c3ccccn3	FCV	3-fluoro-n'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide
+c1cc2c(cc1C3CCCCC3)CC(=O)N2	FCW	5-cyclohexyl-1,3-dihydroindol-2-one
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@@H](C(=O)O)F)O	FCX	alpha-fluoro-carboxymethyldethia coenzyme a complex
+C([C@@H](C(=O)O)N)S	FCY	free cysteine
+Cc1c2c(nn(c2nc(n1)N)C(C)C)c3ccc4c(c3)nc(o4)N	FCZ	5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCCC[C@@H]2C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N	FD1	n-alpha-(2-naphthylsulfonyl)-n-(3-amidino-l-phenylalaninyl)-d-pipecolinic acid
+[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O)c3ccc4ccccc4c3)\N	FD2	n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic acid methyl ester
+[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCNCC2)NS(=O)(=O)c3ccc4ccccc4c3)\N	FD3	n-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide
+CC(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3	FD4	n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)-4-acetyl-piperazine
+Cc1cc2c(cc1C)N(C3=NC(=O)N(C(=O)C3=N2)OCCS(c4ccc(cc4)NNc5c(cc6cc(c(c(c6c5N)O)NNc7ccc(cc7)S(C)(O)O)S(O)(O)O)S(O)(O)O)(O)O)CC(C(C(COP(=O)(O)O)O)O)O	FD5	[5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CN1CCN(CC1)NCCN2c3ccccc3Sc4c2cc(cc4)Cl	FD6	n-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine
+[H]/N=C(/NCC)\NC(=O)Nc1c(cccc1CC)CC	FD7	n-(2,6-diethylphenyl)-n'-(n-ethylcarbamimidoyl)urea
+c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F)F)C(F)(F)F	FD8	n-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide
+Cc1c(c(on1)C)Cn2cc(c3c2ccc(c3)Oc4ccc(cc4)NC(=O)[C@@H]5CCCN5)C#N	FD9	(2s)-n-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
+Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FDA	dihydroflavine-adenine dinucleotide
+Cc1c[nH]c2c1C(=O)NC(=N2)N	FDB	2-amino-5-methyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+C1C([O@@H][Fe]234[O@H]C(C[C@@]56[OH]2[Fe]7([OH]3[C@]1(CC([O@@H]7)[O])C([O@@H]4)[O])([O@H]C(C5)[O])[O@H]C6[O])[O])[O]	FDC	iron(iii) dicitrate
+Cc1c(c2cc3[n+]4c(cc5c(c(c6n5[Fe@@+3]47n2c1cc8[n+]7c(c6)C(=C8C)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C	FDD	fe(iii) 2,4-dimethyl deuteroporphyrin ix
+Cc1cc2n3c1C=C4C=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C	FDE	fe(iii) deuteroporphyrin ix
+C/C(=C\CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/CCC=C(CF)CF	FDF	(2e,6e)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
+C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)F)O)OP(=O)(O)O	FDG	2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7,9-dihydro-1h-purine-6,8-dione
+CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(n2)N)Cl	FDH	5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
+CCC(CC)C(=O)Nc1cc(ccc1NC(=O)C)C(=O)O	FDI	4-(n-acetylamino)-3-[n-(2-ethylbutanoylamino)]benzoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O	FDJ	5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+C1=C([C@@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO	FDK	(1~{s},2~{s},3~{s},4~{s})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
+CC1=CC(=O)Oc2c1ccc(c2)NC(=O)[C@H](CCCCNC(=O)C)N	FDL	n~6~-acetyl-n-(4-methyl-2-oxo-2h-chromen-7-yl)-l-lysinamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)F	FDM	3'-fluoro-3'-deoxythymidine monophosphate
+C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3F)F	FDN	(5s)-3-anilino-5-(2,4-difluorophenyl)-5-methyl-1,3-oxazolidine-2,4-dione
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O	FDP	2,6-di-o-phosphono-beta-d-fructofuranose
+C([C@@H]1[C@H]([C@@H]([C@@H](O1)CP(=O)(O)O)O)O)OP(=O)(O)O	FDQ	2,5-anhydro-1-deoxy-1-phosphono-6-o-phosphono-d-glucitol
+CC1=Nc2c(c3c(s2)CCC3)C(=O)N1	FDR	2-methyl-3,5,6,7-tetrahydro-4h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
+c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C(=O)O	FDS	fluorescin
+Cn1cc(nn1)[C@@H]2C(=CNC(=CS2)C(=O)O)C=O	FDT	(7r)-6-formyl-7-(1-methyl-1h-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid
+C#CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F	FDU	1-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1h,3h)-dione
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H](C)P(=O)(O)O)O)O	FDV	5'-o-[(r)-hydroxy({(r)-hydroxy[(1s)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine
+CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(n2)N)N	FDW	3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O	FDY	5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2	FDZ	1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea
+[Fe+3]	FE	fe (iii) ion
+C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)O	FE0	(1s,2s,3r,4r)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
+CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC	FE1	methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)piperidine-4-carboxylate
+[Fe+2]	FE2	fe (ii) ion
+c1cc(c(cc1C(=O)O)Cl)CCN	FE3	4-(2-aminoethyl)-3-chlorobenzoic acid
+CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N	FE5	5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
+c1cc(c(cc1Br)F)Cn2c3c(cn2)c(nc(n3)N)Cl	FE6	1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine
+CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(\c3ccccc3)/Nc4ccc(cc4)CN5CCCCC5)/C(=O)N2	FE7	n-{(3z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1h-indol-5-yl}ethanesulfonamide
+[H]/N=C(/N)\NCCC[C@@H]1C(=O)N[C@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4ccccc4CO)C(=O)N	FE8	(10~{s},14~{r},17~{s})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide
+CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S	FE9	iron-guanylyl pyridinol cofactor
+[N-]=[N+]=N[Fe]O[Fe]	FEA	monoazido-mu-oxo-diiron
+CCCCCCCCC[C@H](CC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)CO)O	FEB	n~2~-[(3r)-3-hydroxydodecanoyl]-l-asparaginyl-n~1~-[(1s)-1-(hydroxymethyl)-3-methylbutyl]-l-glutamamide
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)CCC(=O)O)C)C(=C3C)CCC(=O)O	FEC	1,3,5,8-tetramethyl-porphine-2,4,6,7-tetrapropionic acid ferrous complex
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)O)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O	FED	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4ar)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate (non-preferred name)
+CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCC)O)O	FEE	n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyoctyl}tetracosanamide
+c1ccc2c(c1)/C(=C/3\C(=N\OCC[C@H](CO)O)\c4ccccc4N3)/C(=O)N2	FEF	(2z,3e)-2,3'-biindole-2',3(1h,1'h)-dione 3-{o-[(3r)-3,4-dihydroxybutyl]oxime}
+Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H](C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O	FEG	5'-o-[(s)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine
+c1ccc(cc1)[C@H](CO)O	FEH	(1r)-1-phenylethane-1,2-diol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]([C@H](C(C)C)O)C(=O)O)O	FEJ	(2s,3s)-3-hydroxy-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic  acid (non-preferred name)
+C1=C([C@@H]([C@@H]([C@H](C1O)F)O)O)CO	FEK	(1~{s},2~{s},3~{s})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol
+[OH2][Fe+3]([OH2])[OH2]	FEL	hydrated fe
+C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567891([CH]3=[CH]5[C@H]64)[CH]2=[CH]7C8[CH]9=[CH]12	FEM	n-(2-ferrocenylethyl)maleimide
+CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C(=O)Nc2ccc(cc2)O)\C)\C	FEN	n-(4-hydroxyphenyl)all-trans retinamide
+O([Fe])[Fe]	FEO	mu-oxo-diiron
+c1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O	FEP	[(4-{4-[4-(difluoro-phosphono-methyl)-phenyl]-butyl}-phenyl)-difluoro-methyl]-phosphonic acid
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2C=C([C@@H]([C@@H]([C@H]2F)O)O)CO	FEQ	(1~{s},2~{s},5~{s},6~{r})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol
+COc1cc(ccc1O)\C=C\C(=O)O	FER	3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid
+S1[Fe]S[Fe]1	FES	fe2/s2 (inorganic) cluster
+COc1cc(ccc1Cn2c3c(cn2)c(nc(n3)N)Cl)C(F)(F)F	FEU	4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
+CC/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	FEV	(2e)-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid
+CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C	FEW	3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide
+CN(C)c1ccc(cc1)c2ccc(cc2)CN(c3cccc(c3)CCC(=O)OC)C(=O)C4CCCCC4	FEX	methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}acrylate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4	FEY	(1r,2s)-2-{[n-({[(2r,4r)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C/C/1=C/CC[C@](/C=C\[C@@H]([C@H](C1)OC(=O)c2ccc(cc2)O)C(C)C)(C)O	FEZ	(1s,2s,3z,5s,8z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate
+c1ccc(cc1)CCCNC[C@H]([C@H](Cc2ccccc2)N)O	FF0	(2r,3s)-3-amino-4-phenyl-1-[(3-phenylpropyl)amino]butan-2-ol
+Cc1cccc(c1CCNC(=O)c2cc(ccc2F)[C@H]3C(=C(NC(=O)N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C	FF1	(4~{s})-4-[3-[2-(2,6-dimethylphenyl)ethylcarbamoyl]-4-fluoranyl-phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide
+c1cc2c(cc(s2)C(=O)NO)c(c1)Cl	FF2	4-chloranyl-~{n}-oxidanyl-1-benzothiophene-2-carboxamide
+c1(nnc(s1)N)C(F)(F)S(=O)(=O)N	FF3	1-(5-amino-1,3,4-thiadiazol-2-yl)-1,1-difluoromethanesulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@@H](F)P(=O)(O)O)O)O	FF4	2'-deoxy-5'-o-[(r)-{[(r)-[(s)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+CC(=O)NCCCCOc1ccc(cc1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N	FF5	~{n}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O	FF7	5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine
+CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)[C@H](C)C(=O)O	FF8	(2s)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid
+CC/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	FF9	(2s)-2-azanyl-6-[(e)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C	FFA	(10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one
+c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N	FFB	n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O	FFC	2-deoxy-2-fluoro-b-d-cellobioside
+c1cc(cc(c1)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	FFD	(1r)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-o-phosphono-d-erythro-pentitol
+O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O	FFE	[bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron
+CC(=CCC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C(F)(F)F)/C)C	FFF	trifluorofurnesyl diphosphate
+c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O	FFG	(r)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)OCCCCNC(=O)CCOCCOCCOCCOCCOCN	FFH	3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{n}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O	FFJ	2'-deoxy-5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)C	FFK	[(2~{r},3~{r},4~{r},5~{s},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [oxidanyl-[(2~{z},6~{z},10~{z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] hydrogen phosphate
+C[C@H]([C@H](O)P(=O)(O)O)SC[C@@H](C(=O)O)N	FFM	s-[(1r,2r)-2-hydroxy-1-methyl-2-phosphonoethyl]-l-cysteine
+CC1=Nc2c(c(cs2)c3ccc(cc3)F)C(=O)N1	FFN	5-(4-fluorophenyl)-2-methyl-3~{h}-thieno[2,3-d]pyrimidin-4-one
+c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N	FFO	n-[4-({[(6s)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+c1cc(c(c(c1)F)O)F	FFP	2,6-difluorophenol
+CC[C@H](O)P(=O)(O)O	FFQ	[(1r)-1-hydroxypropyl]phosphonic acid
+c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3=CCN(CC3)Cc4nc5ccc(nc5n4C[C@@H]6CCO6)C(=O)O	FFR	2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{h}-pyridin-1-yl]methyl]-3-[[(2~{s})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
+c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccco4	FFS	n~2~-(3-chlorophenyl)-n~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine
+CC(=CCC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)C	FFT	(2z,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate
+CC1(CCC(CC1)NC(=O)c2cc3c([nH]2)cc(cc3F)F)C	FFU	n-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1h-indole-2-carboxamide
+C[C@H](C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c4)Cl)F	FFV	n~2~-(3-chloro-4-fluorophenyl)-n~4~-[(1r)-1-cyclopropylethyl]quinazoline-2,4-diamine
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC4=NONC4=O	FFW	4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one
+C1([C@H]([C@@H](O[C@@H]([C@H]1O)F)F)O)O	FFX	(2r,3s,5r,6s)-2,6-difluorooxane-3,4,5-triol
+C[C@H](C1CC1)Nc2c3cccc(c3nc(n2)Nc4ccc(c(c4)Cl)F)C5=CCNCC5	FFY	n~2~-(3-chloro-4-fluorophenyl)-n~4~-[(1r)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC	FFZ	3-[5-[(4ar,8as)-4-oxidanylidene-3-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-n-(phenylmethyl)prop-2-ynamide
+c1cc2c(cc1CN3CCC4(CC3)c5ccsc5CCO4)OCCO2	FG0	1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
+c1cc(ccc1CCNC(=O)[C@H](CO)NC(=O)CCNC(=O)CBr)NC(=O)C(=O)O	FG1	n-[4-(2-{2-[3-(2-bromo-acetylamino)-propionylamino]-3-hydroxy-propionylamino}-ethyl)-phenyl]-oxalamic acid
+Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[nH]2)OC	FG2	5-methoxy-n-[(5-methylpyridin-2-yl)sulfonyl]-1h-indole-2-carboxamide
+Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	FG3	(5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3	FG4	{2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1h-indol-1-yl}acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)CNS(=O)(=O)c3cc4ccccc4o3	FG5	(2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1h-indol-1-yl)acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3cc4ccccc4o3	FG6	{2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1h-indol-1-yl}acetic acid
+CCOC(=O)c1cccc(c1)N	FG7	ethyl 3-aminobenzoate
+c1ccc(c(c1)/C=C/C(=O)NO)Sc2ccc(cc2)Cl	FG8	(~{e})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{n}-oxidanyl-prop-2-enamide
+c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N	FG9	~{n}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
+C(CC(=O)O)[C@H](C(=O)O)N	FGA	gamma-d-glutamic acid
+c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N	FGD	n-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-d-glutamic acid
+Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)N)C(=O)N=C3	FGE	~{n}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
+CN1CCN(C(=O)C1)Cc2cc3c(nc2C=O)N(CCC3)C(=O)Nc4cc(c(cn4)C#N)NCCOC	FGF	n-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)\F)/C)/C)/C)C	FGG	(2z,6e,10e)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate
+CC(C)Cc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C	FGH	2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5h-beta-carbolin-5-one
+CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC	FGJ	(2r)-3-hydroxypropane-1,2-diyl dihexanoate
+C(C(=O)O)(C(=O)O)N	FGL	2-aminopropanedioic acid
+CCCCCCCCCC[C@H]([C@@H](CCCCCC)C(=O)O)O	FGM	(2r,3r)-2-hexyl-3-hydroxytridecanoic acid
+c1ccc(c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl	FGN	(~{e})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{n}-oxidanyl-prop-2-enamide
+c1nc2c(n1[C@H]3[C@@H]4CC(C[C@@H]4[C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)CO)(O)O)N=C(NC2=O)N	FGO	[(1s,3r,3ar,6as)-3-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methyl [(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
+[C@H]([C@@H](O)OP(=O)(O)O)(C(=O)O)N	FGP	2-amino-3-hydroxy-3-phosphonooxy-propionic acid
+Cc1ccc(cc1)S(=O)(=O)c2cc(c(c3c2cccn3)O)F	FGQ	7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol
+C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O	FGR	n-(n-formylglycyl)-5-o-phosphono-beta-d-ribofuranosylamine
+CC(=O)N[C@@H](CO)[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O	FGS	5-(acetylamino)-5-deoxy-1-o-phosphono-l-iditol
+c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc4)O	FGT	3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
+CC(C)C[C@@H](C(=O)SCCNC(=O)C)N	FGU	s-(2-acetamidoethyl) (2s)-2-azanyl-4-methyl-pentanethioate
+C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)O)OP(=O)(O)O)O	FGV	(1r,2s,3r,4r,5s,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)]
+CC(C)n1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C	FGW	dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium
+[B-]12(CCc3c1cc(cc3)[C@@H](c4ccc(cc4)SCC(=O)C)O)O[C@H]5[C@@H](O[C@H]([C@@H]5O2)n6cnc7c6ncnc7N)CO[P+](O)(O)O	FGX	[(1~{r},5~{r},6~{s},8~{r})-8-(6-aminopurin-9-yl)-4'-[(~{r})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium
+C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c2ccc(cc2)C(=O)NO	FGY	n-(2,2-dimethylpropyl)-n~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-l-asparaginyl-n-benzyl-l-alaninamide
+c1c(cc(c(c1Cl)O)Cl)C(=O)O	FGZ	3,5-dichloro-4-hydroxybenzoic acid
+CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c5n(nc4c6cccnc6)CCOC5	FH0	~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{h}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C	FH1	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-l-prolinamide
+C1=C([C@@H]([C@@H]([C@H]([C@H]1O)F)O)O)CO	FH2	(1~{s},2~{s},3~{s},4~{s})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol
+Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@H](C4)CNC(=O)C	FH3	(s)-n-((1-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide
+CC(C)c1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C	FH4	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-l-prolinamide
+Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@@H](C4)NC(=O)C	FH5	(s)-n-(1-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide
+C(C[C@H](C(=O)O)N)CN(C=O)O	FH7	n^5^-formyl-n^5^-hydroxy-d-ornithine
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)O)C(=O)O	FH8	5-carboxy methylrhodamine
+CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(=O)O	FH9	(2s)-6-azanyl-2-[[(2r)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)([C@H](F)[P@](=O)(O)OP(=O)(O)O)O)O)N	FHA	2'-deoxy-5'-o-[(s)-{(s)-fluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
+c1cc(c(cc1C(=O)O)F)O	FHB	3-fluoro-4-hydroxybenzoic acid
+c1cc(ccc1\C=C(/C(=O)[O-])\F)O	FHC	2-fluoro-3-(4-hydroxyphenyl)-2e-propeneoate
+CCCCCOC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3(CC3)C)Oc4c(nc5ccc(cc5n4)OC)Cl)C(C)(C)C	FHD	3-methyl-n-[(pentyloxy)carbonyl]-l-valyl-(4r)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-l-prolinamide
+CC(=O)[C@@H](C1=N/C(=C\c2ccc(cc2)OCc3ccccc3[N+](=O)[O-])/C(=O)N1CC(=O)O)N	FHE	2-[(4~{z})-2-[(1~{r})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccccc1F	FHF	n-((2r,4s)-2-butyl-4-(3-(2-fluorophenyl)ureido)-5-methyl-3-oxohexyl)-n-hydroxyformamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](F)P(=O)(O)O)O)O)N=C(NC2=O)N	FHG	2'-deoxy-5'-o-[(r)-{[(r)-[(s)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O	FHH	methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate
+c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O	FHI	2',4'-difluoro-4-hydroxy-5-iodo-1,1'-biphenyl-3-carboxylic acid
+Cc1ccc(cc1)C[C@@H]([C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)OC)C(=O)OC)Nc4ccccc4	FHJ	dimethyl (1s,2s,3r,4r)-1-[(1s)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
+c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(=O)Nc4ccc(cc4)C(=O)O	FHK	4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid
+C(CC/N=C(\CCC(=O)O)/CO)C[C@@H](C(=O)O)N	FHL	(e)-n~6~-[3-carboxy-1-(hydroxymethyl)propylidene]-l-lysine
+C[C@](COc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O	FHM	s-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
+C([C@H]1[C@H](C([C@@H]([C@@H]([NH2+]1)CO)O)O)O)O	FHN	(2s,3r,5r,6s)-3,4,5-trihydroxy-2,6-bis(hydroxymethyl)piperidinium
+C(C[C@@H](C(=O)O)N)CN(C=O)O	FHO	n^5^-formyl-n^5^-hydroxy-l-ornithine
+CC(=CCC/C(=C/CC/C(=C/[C@H](O)P(=O)(O)O)/C)/C)C	FHP	1-hydroxy-3,7,11-trimethyldodeca-2,6,10-triene phosphonic acid
+c1cc(ccc1/C=N/NC(=O)Cc2n[nH]nn2)Br	FHQ	~{n}-[(~{e})-(4-bromophenyl)methylideneamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanamide
+c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O	FHR	~{n}-[(2~{s})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{h}-indole-2-carboxamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4	FHS	(1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+c1cc(ccc1C(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+])Br	FHT	[[(2~{r})-2-[(4-bromophenyl)carbonylamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
+C([C@@H]1[C@H]([C@H]([C@@H](O1)[C@@]2([C@H](NC(=O)NC2=O)O)F)O)O)OP(=O)(O)O	FHU	(5s,6r)-5-fluoro-6-hydroxy-pseudouridine-5'-monophosphate
+Cc1cccc(c1)NC(=O)N2CCCC2	FHV	n-(3-methylphenyl)pyrrolidine-1-carboxamide
+c1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN	FHW	(2~{r})-3-phenyl-2-(2~{h}-1,2,3,4-tetrazol-5-yl)propanehydrazide
+C[C@H]1CN([C@]12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N	FHX	3-[(3s,4r)-3-methyl-7-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@@H](O[C@H]3[C@H]2O[C@@](OC3)(C)C(=O)O)OC)NC(=O)C)CO)O)O	FHY	(2s,4ar,6r,7s,8r,8as)-7-(acetylamino)-6-({2-(acetylamino)-3-o-[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-4,6-o-[(1s)-1-carboxylic acidethylidene]-2-deoxy-beta-d-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]oxy}-2-methylhexahydro-2h-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid
+COc1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN	FHZ	(2~{r})-3-(4-methoxyphenyl)-2-(2~{h}-1,2,3,4-tetrazol-5-yl)propanehydrazide
+CC[C@H](C)CNC[C@H]([C@H](Cc1ccccc1)N)O	FI0	(2r,3s)-3-amino-1-{[(2s)-2-methylbutyl]amino}-4-phenylbutan-2-ol
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCCN(C3=O)CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5	FI1	6-chloro-n-((3s)-2-oxo-1-(2-oxo-2-((5s)-8-oxo-5,6-dihydro-1h-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2h,4h,8h)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide
+CCC(=O)Nc1ccc(cc1)CN(c2cc(ncn2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5c(c(cc(c5Cl)OC)OC)Cl	FI3	n-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide
+C[C@@H](CNc1c2c(n[nH]c2nc(n1)Oc3ccc(cc3F)F)c4ccccc4Cl)O	FI4	(2s)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol
+CCc1c(c(c(c(c1Cl)O)Cl)O)C(=O)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)OC)OC/C/3=C\C=C\C[C@@H](/C(=C/[C@@H]([C@H](/C(=C/C(=C/C[C@H](OC3=O)[C@@H](C)O)/C)/C)O[C@H]4[C@H]([C@H]([C@@H](C(O4)(C)C)OC(=O)C(C)C)O)O)CC)/C)O)C	FI8	fidaxomicin
+c1(c(c(c(c(c1F)F)I)F)F)F	FIB	1,2,3,4,5-pentafluoro-6-iodobenzene
+c1cc2c(cc1F)cc([nH]2)C(=O)O	FIC	5-fluoroindole-2-carboxylic acid
+c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3	FID	(2s,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione
+C1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)F	FIF	2,6-anhydro-5-deoxy-5-fluoro-l-idonic acid
+c1ccc(cc1)C(=O)CSC2=NC=C(C(=O)N2)C(=O)O	FIG	6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid
+Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)F	FIH	5-(4-fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid
+CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C	FII	[(3,7,11-trimethyl-dodeca-2,6,10-trienyloxycarbamoyl)-methyl]-phosphonic acid
+C[C@]1(CC(c2cc(c(cc2O1)O)Cl)(C)C)c3cc(c(cc3O)O)Cl	FIJ	4-chloranyl-6-[(2~{s})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{h}-chromen-2-yl]benzene-1,3-diol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)C(C)C	FIK	(1s,2s)-2-[(n-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C/C(=N\OC(=O)N)/c1ccc(c(c1)OC2CCCC2)OC	FIL	(1e)-1-[3-(cyclopentyloxy)-4-methoxyphenyl]ethanone o-(aminocarbonyl)oxime
+CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O	FIN	(1r)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid
+[H]/N=C(\CF)/NCCC[C@@H](C(=O)O)N	FIO	n~5~-[(1e)-2-fluoroethanimidoyl]-l-ornithine
+c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O	FIP	5-fluoroindole propanol phosphate
+CN1C(=O)C=C(NC1=O)C2CC2	FIQ	6-cyclopropyl-3-methyl-1h-pyrimidine-2,4-dione
+c1cc2c(cc1F)[C@@]3(C[C@@H](O2)C(=O)N)C(=O)NC(=O)N3	FIR	(2r,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione
+c1cc2c(cc1F)[C@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3	FIS	(2s,4r)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C	FIT	(4ar,4bs,6as,7s,9as,9bs,11ar)-n-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1h-indeno[5,4-f]quinoline-7-carboxamide
+c1ccc2cc(ccc2c1)C(=O)O	FIV	naphthalene-2-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)C(C)C	FIW	(1r,2s)-1-hydroxy-2-{[n-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C(=O)C(=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O	FIX	d-fructuronic acid
+Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CC[C@H](C5)O)nc(o4)N6CCOCC6	FJ0	2-(2-methylpyridin-4-yl)-n-[2-morpholin-4-yl-5-[(3r)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
+CC1(Cc2c(c(n[nH]2)C(F)(F)F)C(=O)C1)C	FJ1	6,6-dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4h-indazol-4-one
+CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	FJ2	n-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
+CC(C)c1cc(c(cc1O)O)c2cc(on2)N	FJ3	4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol
+COc1ccc(cc1)CC(=O)c2cc(c(cc2O)O)Cl	FJ4	1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
+CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3)c4ccc(cc4)CN5CCOCC5	FJ5	n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide
+CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3)c4ccc(cc4)OC	FJ6	n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
+COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[C@H]4c5c(c6ccccc6[nH]5)C[C@@H](N4)C(=O)O	FJ7	(1s,3r)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid
+Cc1ccc(cc1)/C=N/NC(=O)Cc2n[nH]nn2	FJ8	~{n}-[(~{e})-(4-methylphenyl)methylideneamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanamide
+c1cc(nc(c1)C(=O)Nc2ccc3c(c2)oc(n3)N4CCOCC4)c5ccncc5	FJ9	n-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide
+CC1C\2CCC(/C2=C/C3(C(CC(=C3C(C1O)O)C(C)C)O)C)COC	FJA	fusicoccin j aglycone
+c1ccc(cc1)CCCCC(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+]	FJB	[[(2~{r})-2-(5-phenylpentanoylamino)-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
+c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](Cc3cccc(c3)F)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O	FJC	~{n}-[(2~{s})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{h}-indole-2-carboxamide
+C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ncc(o4)c5ccc(s5)Cl	FJD	3-[(3as,4r,5s,8as,8br)-4-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
+c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F	FJE	[3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)methanone
+C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	FJF	5-[(2~{s},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{h}-pyrimidine-2,4-dione
+C[C@H](C(F)(F)F)NC(=O)c1cc(cc(c1)C2(CC2)C)c3c(nc(s3)C(=O)NC4CC(C4)C(=O)O)CC5CCCCC5	FJG	trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2r)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid
+Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)C)NC(=O)c4ccc5c(c4)OCCO5	FJH	~{n}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6	FJI	3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{n}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{h}-benzo[c][1]benzoxepine-9-carboxamide
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)/N=C/CCCc2ccccc2)O)O	FJJ	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-[(1e)-4-phenylbutylidene]-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)
+c1cc2c(c(c1)NC(=O)Nc3cc(ccn3)COCc4cn(nn4)CCNC5=C6C=CC=CC6=NC7C5CCCC7)[C@H]8CCCCN8C2=O	FJK	1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{r})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]urea
+C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)(C)C(=O)O	FJL	(2~{s},3~{s},4~{s},5~{r},6~{r})-6-[[(3~{s},4~{a}~{r},6~{a}~{r},6~{b}~{s},8~{a}~{s},11~{s},12~{a}~{r},14~{a}~{r},14~{b}~{s})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{h}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCCCc2ccccc2)O)O	FJM	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(8-phenyloctyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)
+C[NH+](Cc1ccnc(c1)NC(=O)Nc2cccc3c2[C@@H]4CCCCN4C3=O)Cc5cn(nn5)CCNC6=C7C=CC=CC7=NC8C6CCCC8	FJN	[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{s})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium
+C(CO)C(O)(O)O	FJO	propane-1,1,1,3-tetrol
+CC(=CCC/C(=C\CC/C(=C/COP(=O)(O)O)/C)/C)C	FJP	(2e,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate
+c1cc(c(cc1Cl)Cl)[C@H](Cn2ccnc2)OCc3ccsc3Cl	FJQ	tioconazole
+[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3ccc(cc3)C	FJR	2-azanylidene-n-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide
+COc1ccc(cc1)c2c(noc2NC(=O)C3CC3)c4cc(c(cc4O)O)c5cncc6c5cccc6	FJS	n-{3-[2,4-dihydroxy-5-(isoquinolin-4-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
+c1cc2c(cc1CNC(=O)c3nnc(o3)Cc4ccc(cc4Cl)F)OCO2	FJT	~{n}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
+[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3cccc(c3)CC	FJU	2-azanylidene-n-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide
+C1CCc2c(c3c4c(c(nnn4)N5CCNCC5)sc3nc2N6CCOCC6)C1	FJV	4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine
+c1c(c(cc2c1OCO2)Br)Cn3c4c(c(nc(n4)N)Cl)nc3O	FJX	2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol
+Cc1c(c2ccc(cc2nc1c3cccnc3)F)N4CC(c5c4cc(cc5)N6CCOCC6)(C)C	FJY	4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1h-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline
+c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3	FJZ	n-cyclohexyl-4-(1h-imidazol-5-yl)piperidine-1-carbothioamide
+c1cc(c(cc1Br)F)Cn2c3c(c(nc(n3)N)Cl)nc2O	FK0	2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol
+c1cc(cc2c1cc[nH]2)Br	FK1	6-bromo-1h-indole
+C(C=O)C(=O)O	FK2	3-oxidanylidenepropanoic acid
+CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C=O	FK3	(3~{s},3~{a}~{s},6~{a}~{r})-~{n}-[(2~{r},3~{s})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{h}-cyclopenta[c]pyrrole-3-carboxamide
+CC(C)(COP(=O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccc[nH]1)O	FK4	s-[2-({n-[(2r)-2-hydroxy-4-{[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] 1h-pyrrole-2-carbothioate
+C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](\C=C(\C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC	FK5	8-deethyl-8-[but-3-enyl]-ascomycin
+c1ccc(cc1)COC(=O)N	FK8	(phenylmethyl) carbamate
+CCCSCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	FK9	3-(propylsulfanyl)propyl alpha-d-mannopyranoside
+C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](\C=C(\C1)/C)CCOC(=O)NCc4ccccc4)O)C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C)O)C)OC)OC	FKA	benzyl-carbamic acid [8-deethyl-ascomycin-8-yl]ethyl ester
+C1CCC(CC1)Nc2nc(n3c(n2)nc(n3)C[C@H](C#N)C(=O)N)N	FKB	(2~{r})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C	FKC	(4r)-4-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
+C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(=O)O)O)F)O)O)O)O)O	FKD	3-deoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid
+c1ccc(cc1)C2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N	FKE	4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)CC(C)(C)O)C)C	FKF	(4r)-4-[(3s,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
+CC1=Nc2c(c(nn2[C@@H](C)c3ccc(cc3)C(F)(F)F)CO)C(=O)N1	FKG	3-(hydroxymethyl)-6-methyl-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+Cc1cccc(c1)CN2C(=C(C(=O)NC2=O)N(C)S(=O)(=O)c3ccccc3)N	FKH	n-(6-amino-1-(3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+C([C@@H](C(=O)C(=O)O)N)C(F)F	FKI	5,5-di-fluoro-2-keto-3-aminopentanoic acid
+C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CO)C(=O)NC(=O)N3	FKJ	3-(hydroxymethyl)-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
+c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)F	FKK	4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
+Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)NC4CCOCC4)C(=O)NC5CC5	FKL	n-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2h-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide
+C[C@H](c1cccc(c1)OC2CCCC2)NS(=O)(=O)CCCOCN3C=CC(=O)NC3=O	FKM	n-[(1r)-1-[3-(cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)methoxy]-1-propanesulfonamide
+CS(=O)(=O)c1ccc(c(c1)c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F)Cl	FKN	3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1h-pyrazolo[3,4-d]pyrimidine
+c1ccc(c(c1)c2c3ccc(cc3n[nH]2)Oc4ccccc4F)Cl	FKO	3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2h-indazole
+CC1(CC[C@@H]([C@]2([C@H]1[C@@H]([C@@H]([C@@]3([C@@]2(C(=O)C[C@](O3)(C)C=C)O)C)OC(=O)CCCCN4CCN(CC4)C)O)C)O)C	FKP	methylpiperazinoforskolin
+c1ccc(cc1)C2(CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)O	FKQ	4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide
+CNc1cc(cc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O)F	FKR	4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid
+C(CCC(C(F)(F)F)(O)O)CCNCCCN	FKS	7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol
+CNc1cc(cc2c1NC(=O)C(=C2NCCCN)C(=O)Nc3ccc(cc3)C(=O)O)F	FKU	4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid
+C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CC(F)(F)F)C(=O)NC(=O)N3	FKV	3-(2,2,2-trifluoroethyl)-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
+c1ccc2c(c1)c(c[nH]2)CC(=O)N/N=C/c3ccc(c(c3)O)[N+](=O)[O-]	FKW	2-(1~{h}-indol-3-yl)-~{n}-[(~{e})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide
+Cn1cc(nc1)c2cc(c(nc2)O[C@H]3CCN(C[C@H]3F)C(=O)Cc4ccc(cc4)OC(F)(F)F)C(=O)N	FKY	2-{[(3r,4s)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1h-imidazol-4-yl)pyridine-3-carboxamide
+CCCCCCCCN	FKZ	octan-1-amine
+c1ccc(cc1)C(=O)CBr	FL0	2-bromanyl-1-phenyl-ethanone
+c1cc(ccc1CCNC(=S)Nc2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O)S(=O)(=O)N	FL1	5-{[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonothioyl]amino}-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid
+C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)OC	FL2	flurbiprofen methyl ester
+CC(=O)c1ccc2ccccc2c1	FL3	1-naphthalen-2-ylethanone
+Cc1ccccc1c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F	FL4	6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidine
+CCn1c-2c(nn1)-c3ccc(cc3-c4c(nnn4CC)-c5c2cc(cc5)N(C)C)[N+](C)(C)C	FL5	12-(dimethylamino)-3,10-diethyl-n,n,n-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium
+COC(=O)C[C@@H](C(=O)O)N	FL6	(2s)-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid
+CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl	FL7	flurazepam
+CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br	FL8	6,4'-dihydroxy-3-methyl-3',5'-dibromoflavone
+c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O	FL9	3',5'-dibromo-2',4,4',6'-tetrahydroxy aurone
+[C@H](C(=O)O)(C(F)(F)F)N	FLA	trifluoroalanine
+CCOCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F	FLB	1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene
+C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O	FLC	citrate anion
+COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CC[NH2+]CCCCCC[NH2+]CC[n+]5ccc6ccc7c(c6c5)c8cc(ccc8[nH]7)OC	FLD	bis-(n-ethylpyridinium-(3-methoxycarbazole))hexane-1,6-diamine
+CC(C)C[C@@H](C(=O)O)NC(=O)c1ccco1	FLE	furoyl-leucine
+c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F	FLF	2-[[3-(trifluoromethyl)phenyl]amino] benzoic acid
+CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O	FLG	fluoresceinylthioureido
+C=O	FLH	formaldehyde
+CCCCCC[C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C/C=C/C=C/C=C/C=C/C[C@H](OC1=O)C)/C)O)O)O)O)O)O)O	FLI	(3r,4s,6s,8s,10r,12r,14r,16s,17e,19e,21e,23e,25e,28r)-3-hexyl-4,6,8,10,12,14,16-heptahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one
+Cc1cn2c(cnc2c(n1)Nc3ccc(cc3F)C(=O)N4CCOCC4)c5c[nH]nc5	FLJ	(3-fluoro-4-{[6-methyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone
+C1C[NH+]=C(N1)NNC(=O)CCCl	FLK	3-chloranyl-~{n}'-(4,5-dihydro-1~{h}-imidazol-3-ium-2-yl)propanehydrazide
+c1ccc(cc1)N2Cc3cccc[n+]3[Ru]24(n5cc(cc6c5c7[n+]4c8ccc(cc8c7c9c6C(=O)NC9=O)O)F)(C#O)Cl	FLL	octahedral ru-pyridocarbazole
+Cc1c(cccc1F)N	FLM	3-fluoro-2-methyl-aniline
+c1ccc(cc1)C2=CC(=O)c3ccccc3O2	FLN	2-phenyl-4h-chromen-4-one
+[F-]	FLO	fluoro group
+C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O	FLP	flurbiprofen
+CC(=O)NCCCCCCNC(=O)c1ccc2c(c1)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O	FLQ	n-[6-(acetylamino)hexyl]-3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-6-carboxamide
+C[C@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O	FLR	(2r)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid
+C[C@H](CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C	FLS	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1r)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+c1cc(ccc1C[C@@H](C(=O)O)N)OC(C(=O)O)(C(=O)O)F	FLT	fluoromalonyl tyrosine
+c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O	FLU	2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-benzoic acid
+c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O	FLV	flaviolin
+CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F	FLW	6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)P(=O)(O)O)NC(=O)c3ccco3	FLX	n-[(furan-2-yl)carbonyl]-(s)-leucyl-(r)-[1-amino-2(1h-indol-3-yl)ethyl]-phosphonic acid
+CC(C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C	FLY	6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8h)-one
+CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccccc4	FLZ	8-methyl-6-phenoxy-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O	FM0	(3r)-3-(fluoromethyl)-3-hydroxy-5-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid
+CNc1c2c(c(n[nH]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)ncn1	FM1	2-hydroxymethyl-5-(7-methylamino-3h-pyrazolo[4,3-d]pyrimidin-3-yl)-tetrahydro-furan-3,4-diol
+C[n+]1cnc2c(c1N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	FM2	2-(7-amino-6-methyl-3h-pyrazolo[4,3-d]pyrimidin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+C[C@H]1[C@H](O1)[P@@](=O)(O)OP(=O)(O)O	FM4	[(2r,3s)-3-methyloxiran-2-yl]-phosphonooxy-phosphinic acid
+CC(=O)N(CC[C@@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O	FM5	3-(n-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid
+c1ccc(cc1)C(=O)N(CC[C@@H](c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O	FM6	[(1s)-1-(3,4-dichlorophenyl)-3-[oxidanyl(phenylcarbonyl)amino]propyl]phosphonic acid
+c1ccc(c(c1)C(=O)N(CC[C@@H](c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O)Nc3cccc(c3)C(F)(F)F	FM7	[(1s)-1-(3,4-dichlorophenyl)-3-[oxidanyl-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonyl-amino]propyl]phosphonic acid
+c1ccc(c(c1)Cn2cncn2)C(=O)N(CC[C@@H](c3ccc(c(c3)Cl)Cl)P(=O)(O)O)O	FM8	[(1s)-1-(3,4-dichlorophenyl)-3-{hydroxy[2-(1h-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid
+CC(C)Nc1cc(ncn1)c2csc(n2)N(C)C(=O)c3ccc(cc3)F	FM9	4-fluoro-n-methyl-n-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide
+CCCCCCCCCCC[C@H](CC(=O)O)c1c(c(cc2c1N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C)C	FMA	6-(3-tetradecanoic acid) flavine mononucleotide
+C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	FMB	formycin b
+c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	FMC	(1s)-1-(7-amino-1h-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-d-ribitol
+C[C@H]([C@@H]([C@@H](C#Cc1c(ccc2c1/C(=C/c3c(cc[nH]3)OC)/C(=O)N2)F)O)N)O	FMD	4-((3r,4s,5r)-4-amino-3,5-dihydroxy-hex-1-ynyl)-5-fluoro-3-[1-(3-methoxy-1h-pyrrol-2-yl)-meth-(z)-ylidene]-1,3-dihydro-indol-2-one
+CSCC[C@@H](C(=O)O)NC=O	FME	n-formylmethionine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)F)F)O)O)O	FMF	2-deoxy-2-fluoro-beta-d-mannopyranosyl fluoride
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F	FMG	2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7-methyl-6-oxo-6,9-dihydro-1h-purin-7-ium
+c1cc(ccc1c2ncc([se]2)CCl)S(=O)(=O)N	FMH	4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide
+CCC1=C(c2cc3[n+]4c(cc5c(c(c6n5[Fe@@]47[n+]2c1cc8n7c(c6)c(c8C)CCC(=O)O)CCC(=O)O)C)[C@@](C3=O)(C)CC)C	FMI	fe-(4-mesoporphyrinone)-r-isomer
+Cc1c(c(no1)c2ccccc2)c3ccnc(n3)N	FMJ	4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
+C[C@@H](Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C	FMK	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1s)-1-methyl-2-(2h-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+C[C@@H](CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F	FML	6-(2,4-difluorophenoxy)-n-[(1s)-1-methyl-2-(methylsulfonyl)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-3-amine
+CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	FMM	n-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	FMN	flavin mononucleotide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H](C([C@H]2O)(F)F)F)CO)O)O)O)O	FMO	2-deoxy-2,2-difluoro-4-o-alpha-d-glucopyranosyl-alpha-d-arabino-hexopyranosyl fluoride
+c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	FMP	formycin-5'-monophosphate
+Cc1c(cnn1c2ccc(cc2)F)CO	FMQ	[1-(4-fluorophenyl)-5-methyl-1h-pyrazol-4-yl]methanol
+C(=C/C(=O)[O-])\C(=O)[O-]	FMR	fumarate
+C(F)(F)(F)S(=O)(=O)N	FMS	trifluoromethane sulfonamide
+C(=O)O	FMT	formic acid
+C[C@@]1(CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F	FMU	5-fluoro-5-methyluridine-5'-monophosphate
+C[C@H](c1ccc(o1)C(C)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C	FMV	(1s,3r,5z,7e,14beta,17alpha,20s)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol
+CCOc1cc(ccc1Nc2ncc3cc(nc(c3n2)NCC(C)(C)C)C)c4nncn4C	FMW	~{n}8-(2,2-dimethylpropyl)-~{n}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine
+C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3)Oc4ccccc4	FMX	famoxadone
+c1cc(ccc1/N=C\2/NC=CC(=N2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6	FMY	n-[(2z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1h)-ylidene]-4-(3-morpholin-4-yl-1h-1,2,4-triazol-1-yl)aniline
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NN3CCNC3=O)C(=O)O)C	FMZ	(2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-({(2r)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenylacetyl}amino)ethyl]-1,3-thiazolidine-4-carboxylic acid
+CC(C)(C)c1cc2c(c(c1)C(C)(C)C)OC(=O)[C@@]2(C(F)(F)F)O	FN0	(3s)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one
+CN1CCC[C@H]1c2cc(cnc2)F	FN1	5-fluoronicotine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4	FN2	(1s,2s)-1-hydroxy-2-[(n-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+B([C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O	FN3	[(1s)-3-methyl-1-[[(2s)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O	FN5	cmp-3f(a)-neu5ac
+c1c(nc[nH]1)C[C@H](C(=O)O)NCC[C@@H](C(=O)O)N	FN6	(2s)-2-azanyl-4-[[(2r)-3-(1h-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
+Cc1cc(nc(c1C(=O)O)C)C	FN7	2,4,6-trimethylpyridine-3-carboxylic acid
+CCC(=O)N(CCC[C@@H]([C@@H](O)OCC/C(=C\C(=O)N(C)O)/C)NC(=O)C)O	FN8	(~{z})-5-[(1~{s},2~{s})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{n},3-dimethyl-~{n}-oxidanyl-pent-2-enamide
+Cn1ccc2c1C(=O)N(C(=N2)N[C@@H]3C[C@@H](CN(C3)C)c4ccccc4)C	FN9	3,5-dimethyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one
+c1ccc(cc1)Nc2cccc3c2cccc3	FNA	n-phenylnaphthalen-1-amine
+C[C@H]([C@@H](c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)n4nccn4)Cl)OC)OC	FNB	1-[2-chloranyl-7-[(1~{r},2~{r})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea
+CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccccc4	FNC	3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5h-pyrrolo[3,2-d]pyrimidin-4-one
+CC[C@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C	FND	11-[(2s)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+C(#O)[Fe]1(S[Ni]1)(C#O)C#O	FNE	(mu-sulphido)-bis(mu-cys,s)-[tricarbonyliron-di-(cys,s)nickel(ii)](fe-ni)
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O	FNF	(2r,3r,4s,5r,6r)-4-(formylamino)-3,5-dihydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)N	FNG	5-aminocarbonyl-3-nitrophenyl alpha-d-galactopyranoside
+CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@H](c1ccccc1)C(=O)O)NC(=O)[C@@H]2Cc3cccc(c3)CCCCCCCC(=O)N[C@H](C(=O)N2)C4CCCCC4	FNH	(2r)-({n-[(3s)-3-({[(3s,6s)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)acetic acid
+c1cc2cc(ccc2c(c1)O)Nc3c4ccncc4oc3C(=O)Nc5ccncn5	FNI	3-[(5-hydroxynaphthalen-2-yl)amino]-n-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide
+CC[C@@H](c1ccc(cc1)O)[C@H](c2ccccc2)c3ccc(cc3)O	FNJ	4,4'-[(1r,2r)-1-phenylbutane-1,2-diyl]diphenol
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(C)C	FNK	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[7,8-dimethyl-5-(3-methylbutanoyl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+C[C@@]1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccccc3	FNM	(5s)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4h-imidazol-4-one
+c1cc(c(cc1O)F)[N+](=O)[O-]	FNN	3-fluoro-4-nitrophenol
+CC(=CC[C@H](C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C	FNO	2-[(1r)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione
+c1cc(cc2c1ccc(c2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O	FNP	{[7-(difluoro-phosphono-methyl)-naphthalen-2-yl]-difluoro-methyl}-phosphonic acid
+c1cc(cnc1)c2ccc(cc2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6	FNQ	8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	FNR	1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2h-benzo[g]pteridin-1-id-10(5h)-yl)-5-o-phosphonato-d-ribitol
+Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)S(=O)(=O)[O-]	FNS	n-sulfo-flavin mononucleotide
+C[C@@H](C(=O)O)NC(=O)c1c(c2ccccc2c(n1)Cl)O	FNT	(2s)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=O)F)N)O)O)OP(=O)(O)O	FNU	6-amino-5-fluorouridine 5'-(dihydrogen phosphate)
+Cc1c(ccc2c1cc(n2C[C@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F	FNV	4-methyl-1-{[(2r)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)C3N2C=O)N	FNX	(4as,6s)-2-amino-6-{(e)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4ah)-carbaldehyde
+C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@]2([C@@H]([C@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO)O)O)O)O	FNY	1-fructofuranosyl-d-nystose
+c1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cncn3)O)F	FNZ	4-[(1s,2r)-3-(4-fluorophenyl)-2-hydroxy-1-(1h-1,2,4-triazol-1-yl)propyl]benzonitrile
+CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)N[C@@H](C)c4cccnc4)C2=O	FO0	6-azanyl-11-methyl-2-oxidanylidene-n-[(1s)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
+c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	FO1	1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-d-ribitol
+CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4	FO2	8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	FO4	sphingomyelin 
+c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N	FO5	3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile
+c1cc(c(c(c1Oc2cc(cc(c2)Cl)F)Br)CO)S(=O)(=O)C(F)F	FO7	{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol
+c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6	FO8	8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C1C(=NC(=S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N	FO9	famotidine
+c1cc(oc1)C(=O)O	FOA	2-furoic acid
+CC(=O)N(CC[C@H](c1ccncc1)P(=O)(O)O)O	FOB	[(1r)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid
+C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O	FOC	fucitol
+c1c(nnn1C2CCC(CC2)O)CC[C@@H](C(=O)O)N	FOD	(2s)-2-amino-4-[1-(trans-4-hydroxycyclohexyl)-1h-1,2,3-triazol-4-yl]butanoic acid
+CC(C)N(c1ccc(cc1)F)C(=O)CSC[C@@H](C(=O)O)N	FOE	2-(2-amino-3-oxo-propylsulfanyl)-n-(4-fluoro-phenyl)-n-isopropyl-acetamide
+CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C	FOF	(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
+c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N	FOG	(4s,5s)-5-amino-4-hydroxy-6-phenylhexanoic acid
+CC(=CCC/C(=C\CC/C(=C\CO)/C)/C)C	FOH	(2z,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
+COC(=O)c1c(c2ccncc2o1)NC3C=CC4=C(C=CC4=C3)NO	FOI	methyl 3-{[(5s)-1-(hydroxyamino)-5h-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate
+c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)[C@H](C(S2(=O)=O)(F)F)O	FOJ	3-{[(3r)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1h-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile
+CC(=O)O[C@H]1[C@H]([C@H]2C(CC[C@@H]([C@@]2([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O)(C)C)O	FOK	forskolin
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N	FOL	folic acid
+C(CN(C=O)O)CP(=O)(O)O	FOM	3-[formyl(hydroxy)amino]propylphosphonic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N	FON	n-{[4-({[(6r)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-l-glutamic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C(=N)C(=O)O)O	FOO	(3e)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-iminobut-3-enoic acid
+C[C@H](C[NH3+])O	FOP	2-hydroxy-propyl-ammonium
+CC(=O)N(CC[C@@H](c1ccncc1)P(=O)(O)O)O	FOQ	[(1s)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid
+C=O	FOR	formyl group
+c1ccc(cc1)COC(=O)NCP(=O)(O)O	FOS	[[n-(benzyloxycarbonyl)amino]methyl]phosphate
+C1(=C(NC(=O)NC1=O)C(=O)O)F	FOT	5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+[C@H]1(C([C@H](NC(=O)N1)O)F)O	FOU	(5s,6r)-5-fluoro-6-hydroxydihydropyrimidine-2,4(1h,3h)-dione
+c1cc(c(cc1S(=O)(=O)C(F)(F)F)N(=O)=O)Nc2cc(cc(c2)Cl)F	FOV	n-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline
+c1ccc2c(c1)CCC23CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6	FOW	8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC2=C(C(=O)N=C(N2)N)NC=O	FOX	((1r,2s,4r)-4-{[2-amino-5-(formylamino)-6-oxo-3,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl)methyl 5'-phosphate
+Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3	FOY	1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1h)-one
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N	FOZ	n-[4-({[(6s)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+CC1=C[C@@H]2[C@](CC1)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO	FP0	(3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate
+CN\1C=CC=C/C1=C/NO	FP1	n-hydroxy-1-(1-methylpyridin-2(1h)-ylidene)methanamine
+c1ccc(c(c1)O)F	FP2	2-fluorophenol
+c1cnc(nc1)c2c(c3ccncc3o2)Nc4ccc(c(c4)O)Cl	FP3	2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol
+c1cc2c(c(c1)Nc3c4ccncc4oc3c5ncccn5)c(n[nH]2)CCCO	FP4	3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1h-indazol-3-yl)propan-1-ol
+B(CNC(=O)Cc1ccccc1)(O)O	FP5	phenylacetamidomethyl boronic acid
+C1CCN(C1)C=O	FP6	pyrrolidine-1-carbaldehyde
+Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)[C@@H](C)O	FP7	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1r)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1h)-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4	FP8	(1r,2s)-1-hydroxy-2-[(n-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C1[C@H](CN[C@@H]1C(=O)O)F	FP9	(4r)-4-fluoro-l-proline
+C(=O)(C(F)(F)Br)O	FPA	bromo(difluoro)acetic acid
+c1ccc(cc1)C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H](Cc3ccccc3F)N	FPB	n-({(2s)-1-[(3r)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl}methyl)benzamide
+C([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O	FPC	d-fructose-6-phosphate (open form)
+C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@]([C@@H](CCO1)CSc3cccc(c3)C=O)(C(=O)N2)O)O)O	FPD	5a-(3-formylphenylsulfanyl)-dihydrobicyclomycin
+C([C@@H](C(=O)O)OP(=O)(O)O)F	FPE	3-fluoro-2-(phosphonooxy)propanoic acid
+CC(=CCC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)\F)/C)/C)C	FPF	(2z,6e)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
+CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O	FPG	(1s)-1-[(1r)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate
+c1cc2c(c(c(n2O)c3ccncc3)c4ccc(cc4)F)nc1	FPH	3-(4-fluorophenyl)-2-pyridin-4-yl-1h-pyrrolo[3,2-b]pyridin-1-ol
+C1CCN(CC1)C=O	FPI	n-formylpiperidine
+CCC(=O)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	FPJ	5'-o-[(r)-hydroxy(propanoylamino)phosphoryl]adenosine
+C1C[C@H](N(C1)C=O)C(=O)O	FPK	1-formyl-l-proline
+c1ccc(cc1)Oc2ccc(cc2O)F	FPL	5-fluoro-2-phenoxyphenol
+C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O	FPM	(5r,6s)-6-(1-hydroxyethyl)-7-oxo-3-[(2r)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
+c1cc(ccc1O)F	FPN	4-fluorophenol
+[O-]P(=O)([O-])F	FPO	fluoro-phosphite ion
+CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C	FPP	farnesyl diphosphate
+CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C	FPQ	(2r)-3-(phosphonooxy)-2-{[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid
+c1ccc(cc1)CCCC(=O)[C@H](CC(=O)O)N	FPR	(3s)-3-amino-4-oxo-7-phenylheptanoic acid
+CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C	FPS	s-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl] trihydrogen thiodiphosphate
+CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C#N	FPT	n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-nitrilomethyl-pyridyl]-thiourea
+COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)N[C@@H]4C[C@H]4c5ccccc5	FPU	1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1r,2s)-2-phenylcyclopropyl]urea
+COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)C4=CC=CN(C4=O)Cc5ccccc5	FPW	1-benzyl-n-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide
+Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)Nc4ccccc4)NC(=O)c5cccc(c5)C(F)(F)F	FPX	n-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide
+C1=C([C@@H](NC(=O)N1)O)F	FPY	(4s)-5-fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1h)-one
+c1ccc(cc1)P(c2ccccc2)c3ccccc3	FPZ	triphenylphosphane
+CC(=CCC/C(=C/CC/C(=C/COC(CO)CO)/C)/C)C	FQ0	2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	FQ1	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	FQ4	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
+c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5	FQ5	8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1ccc(c(c1)C(=O)O)Nc2cc(cc(c2)Cl)Cl	FQ7	2-[(3,5-dichlorophenyl)amino]benzoic acid
+C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O	FQ8	[(2~{r},3~{s},4~{s})-2,3,4,5-tetrakis(oxidanyl)pentyl] [(2~{r},3~{r},4~{s})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentoxy]phosphoryl]oxy-pentyl] hydrogen phosphate
+c1ccc(cc1)CNCCCC[C@@H](C(=O)O)N	FQA	n~6~-benzyl-l-lysine
+CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5	FQB	8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1cc2c(cc1F)C(=O)N(C(=N2)n3cncn3)c4ccc(cc4Cl)Cl	FQC	3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one
+c1cc(ccc1c2csc3c2C(=O)NC=N3)F	FQD	5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3h)-one
+CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5	FQE	8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CC(=CCC/C(=C/CC/C(=C/COC[C@@H](CO)O)/C)/C)C	FQF	(2r)-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
+CC(C)(CNC(=O)c1cc(n(n1)c2ccccc2)NC(=O)c3cc(c(cc3Cl)Cl)c4ccccn4)O	FQG	5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-n-(2-hydroxy-2-methylpropyl)-1-phenyl-1h-pyrazole-3-carboxamide
+c1cc(cc(c1)C(F)(F)F)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5	FQH	8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1cc(sc1C(=O)N)Cl	FQI	5-chloro-2-thiophenecarboxamide
+Cc1cc(n(n1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl	FQJ	2,4-dichloro-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)benzamide
+c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)CC5CCC5	FQK	8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)NC)O	FQL	(2s,3r)-n-[(e)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide
+c1ccc(cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c4cccc(n4)N	FQM	5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1h-pyrazole-3-carboxamide
+c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)C5CCCC5	FQN	8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1c(c(nc(n1)C(F)(F)F)N)CO[P@](=O)(O)OP(=O)(O)O	FQP	4-amino-2-trifluoromethyl-5-hydroxymethylpyrimidine pyrophosphate
+CC1(CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4)c5cccc(c5)Cl	FQQ	8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C[C@H]([C@@H](C(=O)OC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O	FQR	[(e)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2s,3r)-2-azanyl-3-oxidanyl-butanoate
+CCCCCC(=O)OC[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2CC=C(NC2=O)N)O)O)OC(=O)CCCCC	FQT	[(2~{s})-3-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate
+C[C@H]([C@@H](C(=O)OCCCCCN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O	FQU	5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{s},3~{r})-2-azanyl-3-oxidanyl-butanoate
+CC#CC[Se]c1ccc(cc1)S(=O)(=O)N	FQV	4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide
+c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N	FQW	2-amino-5-phenethyl-6-phenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-]	FQX	[1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5h,8h)-dione 1-oxide
+c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2	FQY	4-(cyclohexylselanyl)benzene-1-sulfonamide
+C[C@H]1C[C@H](C[C@H]([C@@H]1O)O)C(=O)O	FQZ	(1~{r},3~{s},4~{r},5~{r})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid
+c1ccc2c(c1)[nH]c(n2)NCc3ccc(s3)c4csc(n4)N=C(N)N	FR0	n''-(4-(5-((1h-benzimidazol-2-ylamino)methyl)-2-thienyl)-1,3-thiazol-2-yl)guanidine
+CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)NCC(=O)O	FR1	2-[4-[[(s)-1-[[(s)-2-[[(rs)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl]pyrrolidin-1-yl-]carbonyl]-2-methylpropyl]aminocarbonyl]benzoylamino]acetic acid
+c1ccc(cc1)CC[C@H](CO)n2cc(nc2)C(=O)N	FR2	1-((1r)-1-(hydroxymethyl)-3-phenylpropyl)-1h-imidazole-4-carboxamide
+c1ccc2c(c1)cccc2CC[C@H](CO)n3cc(nc3)C(=O)N	FR3	1-((1r)-1-(hydroxymethyl)-3-(1-naphthyl)propyl)-1h-imidazole-4-carboxamide
+c1ccc(cc1)CCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N	FR4	1-((1r)-1-(hydroxymethyl)-3-{6-[(3-phenylpropanoyl)amino]-1h-indol-1-yl}propyl)-1h-imidazole-4-carboxamide
+Cn1c2ccccc2nc1CCC(=O)Nc3ccc4ccn(c4c3)CC[C@H](CO)n5cc(nc5)C(=O)N	FR5	1-((1r)-1-(hydroxymethyl)-3-(6-((3-(1-methyl-1h-benzimidazol-2-yl)propanoyl)amino)-1h-indol-1-yl)propyl)-1h-imidazole-4-carboxamide
+C[C@@H]([C@@H](CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O	FR6	1-{(1r,2s)-2-hydroxy-1-[2-(1-naphthyl)ethyl]propyl}-1h-imidazole-4-carboxamide
+C[C@@H]([C@@H](CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O	FR7	1-{(1r,2s)-1-[2-(2,3,-dichlorophenyl)ethyl]-2-hydroxypropyl}-1h-imidazole-4-carboxamide
+c1ccc(cc1)CCCCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N	FR8	1-((1r)-1-(hydroxymethyl)-3-{6-[(5-phenylpentanoyl)amino]-1h-indol-1-yl}propyl)-1h-imidazole-4-carboxamide
+c1ccc(cc1)CNC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N	FR9	1-[(1r)-3-(6-{[(benzylamino)carbonyl]amino}-1h-indol-1-yl)-1-(hydroxymethyl)propyl]-1h-imidazole-4-carboxamide
+CC(=O)Nc1ccc(cc1)N2C(=O)[C@@H]3C4CCC([C@@H]3C2=O)(CC4)NC(=O)OCC(=O)O	FRA	[4-(4-acetylamino-phenyl)-3,5-dioxo-4-aza-tricyclo[5.2.2.0 2,6]undec-1-ylcarbamoyloxy]-acetic acid
+c1cc(c(c(c1)Cl)Cl)c2cc([nH]n2)C3CCN(CC3)C(=O)CNC(=O)[C@@H](C4CCCCC4)NC(=N)N	FRB	2-cyclohexyl-n-(2-{4-[5-(2,3-dichloro-phenyl)-2h-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide
+C[C@@H]([C@@H](CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O	FRC	1-{(1r,2s)-2-hydroxy-1-[2-(2-naphthyloxy)ethyl]propyl}-1h-imidazone-4-carboxamide
+C[C@H](Cc1ccccc1)N	FRD	1-phenyl-2-aminopropane
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)\C=C\c4cc(c(c(c4)OC)O)O)O	FRE	feruloyl coenzyme a
+c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)N	FRF	phe-reduced-phe
+[H]/N=C(/N)\N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)C#Cc3ccccc3)C(=O)OC	FRG	2-[3-methyl-4-(n-methyl-guanidino)-butyrylamino]-3-(4-phenylethynyl-phenyl)-propionic acid methyl ester
+[H]/N=C(\N)/N[C@H](CC(C)C)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(o4)C(=O)O	FRH	5-[2,3-dichloro-4-(5-{1-[2-(2-guanidino-4-methyl-pentanoylamino)-acetyl]-piperidin-4-yl}-1-methyl-1h-pyrazol-3-yl)-phenoxymethyl]-furan-2-carboxylic acid
+CC(C)C[C@H](C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C)NC(=N)N	FRI	2-guanidino-4-methyl-pentanoic acid [2-(4-{5-[4-(4-acetylamino-benzyloxy)-2,3-dichloro-phenyl]-2-methyl-2h-pyrazol-3-yl}-piperidin-1-yl)-2-oxo-ethyl]-amide
+CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)c5cc(c(c(c5)Br)O)Br	FRJ	3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid [4-(thiazol-2-ylsulfamoyl)-phenyl]-amide
+CCCCCC(=O)Nc1nc(c(s1)c2ccc(cc2)O)c3ccc(cc3)O	FRK	n-[4,5-bis(4-hydroxyphenyl)-1,3-thiazol-2-yl]hexanamide
+C[C@@H](C(CCc1cccc2c1oc(n2)c3ccc(cc3)Cl)n4cc(nc4)C(=O)N)O	FRL	1-((1r,2s)-1-{2-[2-(4-chlorophenyl)-1,3-benzoxazol-7-yl]ethyl}-2-hydroxypropyl)-1h-imidazole-4-carboxamide
+Cc1cccc2c1N=C(NC2=O)CCC[N@@]3CCC(=CC3)c4ccc(cc4)F	FRM	2-{3-[4-(4-fluorophenyl)-3,6-dihydro-1(2h)-pyridinyl]propyl}-8-methyl-4(3h)-quinazolinone
+C[C@@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)[O-])O	FRO	(5r,6s)-6-[(1r)-1-hydroxyethyl]-7-oxo-3-[(2r)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
+CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)Nc3ccc(cc3)F)N	FRP	n1-((2s,3s,5r)-3-amino-6-(4-fluorophenylamino)-5-methyl-6-oxo-1-phenylhexan-2-yl)-n3,n3-dipropylisophthalamide
+c1ccc(cc1)C2=CC[N@@](CC2)CCCCN3c4cccc(c4C(=O)NC3=O)F	FRQ	5-fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2h)-yl)butyl]quinazoline-2,4(1h,3h)-dione
+C[C@@H]1CC=CC(=O)[C@H]([C@H](C\C=C\c2cc(cc(c2C(=O)O1)O)OC)O)O	FRR	(3r,5z,8s,9s,11e)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
+Cc1cc(c(o1)C(F)(F)F)NC(=O)/N=C\2/NC=C(S2)CCNc3cc(ncn3)Nc4nc[nH]n4	FRS	1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2z)-5-(2-{[6-(1h-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3h)-ylidene]urea
+Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC	FRT	n-(2-methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O	FRU	beta-d-fructofuranose
+Cc1ncc(n1C2CC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)NC	FRV	4-{[4-(1-cyclopropyl-2-methyl-1h-imidazol-5-yl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide
+CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)O	FRW	4-[[(2s)-3-methyl-1-oxo-1-[(2s)-2-[[(3s)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid
+c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)NCCO)NC(=O)c3cc4cc(sc4[nH]3)Cl	FRX	(s)-2-chloro-n-(1-(2-(2-hydroxyethylamino)-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-6h-thieno[2,3-b]pyrrole-5-carboxamide
+c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)N)NC(=O)C3=CC4=CC(SC4=N3)Cl	FRY	(2s)-n-[(3s)-1-(2-amino-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-2-chloro-2h-thieno[2,3-b]pyrrole-5-carboxamide
+c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5nn4)N	FRZ	5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridazin-3-amine
+S[Fe]1S[Fe]S1	FS0	fe2/s3 cluster
+S=[Fe]	FS1	iron/sulfur cluster
+O1[Fe][O@]2[Fe]134O[Fe]356[S@@]4[Fe@]52S6	FS2	fe-s-o hybrid cluster
+S1[Fe]234[Fe]156[S]2[Fe]35(S4)S6	FS3	fe3-s4 cluster
+[S]12[Fe]3456[Fe]1789[Fe]2312[Fe]47([S]58)([S]61)[S]92	FS4	iron/sulfur cluster
+S(SS[Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)SS[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71	FS5	iron/sulfur penta-sulfide connected clusters
+C[C@H]1CCc2c(c(c3ccccc3n2)C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)S(=O)(=O)N)C1	FS7	(2s)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2s)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)OC[C@@H](CO)O	FS8	n-{5-[(7-{[(2r)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5h-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide
+c1cc(cc(c1)NC(=O)C2CCN(CC2)c3c4c([nH]cn4)ncn3)C(F)(F)F	FS9	1-(9h-purin-6-yl)-n-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
+C1[C@H]([C@H]([C@@H]([C@](O1)(CSCC(=O)O)O)O)O)O	FSA	1-s-(carboxymethyl)-1-thio-beta-d-fructopyranose
+c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F	FSB	n-(2-fluoro-benzyl)-4-sulfamoyl-benzamide
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C)O)[C@H](C)COC(=O)C)O)C)COC	FSC	fusicoccin
+C[C@@H]1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)c3ccc(cc3)NC(=O)[C@](C)(CO)N)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)N(C)C)O)O	FSD	amicetin
+c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O	FSE	3,7,3',4'-tetrahydroxyflavone
+O1[Fe][Fe][S@]2[Fe@]13[Fe]2S3	FSF	4fe-2s-o hybrid cluster
+[C@H](C(=O)NO)(F)P(=O)(O)O	FSG	[(1s)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]phosphonic acid
+Cc1cc2c(cc1C)N(C(=O)[C@@]3(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FSH	 (2r,3s,4s)-5-[(4r)-6',7'-dimethyl-2,3',5-trioxo-1'h-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'h)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate 
+CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O	FSI	5-acetamido-3,5-dideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CF)N)N)N)O	FSJ	(1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(fluoromethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside
+CC1=C(N(C(=O)NC1=O)C)/C=C(/CO)\CF	FSK	6-[(1z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C(CC(=O)O)C(=O)O	FSL	(2r)-2-phenylbutanedioic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)O)NC(=O)C)CO)O)O	FSM	forsmann antigen
+c1cc(ccc1CN2C(=O)[C@H]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)C(=[NH2+])N)F	FSN	(3asr,4rs,8asr,8brs)-4-(2-(4-fluorobenzyl)-1,3-dioxodeacahydropyrrolo[3,4-a] pyrrolizin-4-yl)benzamidine
+O1[Fe]O[Fe]234([Fe@@]15[S@]2[Fe@@]3(O4)S5)[S]	FSO	iron/sulfur/oxygen hybrid cluster
+CCCC[C@@H](C(=O)C(=O)Nc1ccn[nH]1)NC(=O)OCC2(CCC2)Cc3ccc(cc3)F	FSP	[1-(4-fluorobenzyl)cyclobutyl]methyl (1s)-1-[oxo(1h-pyrazol-5-ylamino)acetyl]pentylcarbamate
+C[C@]1(C[C@H](C[C@H]([C@@H]1O)O)C(=O)O)O	FSQ	(1~{s},3~{r},4~{s},5~{r})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1[C@H]([C@H](CO)O)O)(C(=O)O)F)F)O	FSR	(2s,3s,4r,5r,6r)-5-acetamido-2,3-bis(fluoranyl)-4-oxidanyl-6-[(1s,2s)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C	FSS	3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CCOP(=S)(OCC)Oc1ccc(cc1)[S@](=O)C	FST	o,o-diethyl o-{4-[(r)-methylsulfinyl]phenyl} phosphorothioate
+COCCCN1Cc2cccc(c2C1=O)C(=O)N	FSU	2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1h-isoindole-4-carboxamide
+c1cc(c(cc1/C=C/c2cc(cc(c2)O)O)F)O	FSV	5-[(e)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O	FSW	methyl 6-deoxy-2-se-methyl-2-seleno-alpha-l-galactopyranoside
+[O][Fe]1O[Fe@@]23S[Fe]245[S]3[Fe@@]4(O1)S5	FSX	bis-(mu-2-oxo),[(mu-3--sulfido)-bis(mu-2--sulfido)-tris(cys-s)-tri-iron] (aqua)(glu-o)iron(ii)
+Cc1c(c2cccnc2n1Cc3ccc(cc3C(F)(F)F)S(=O)(=O)C)CC(=O)O	FSY	fevipiprant
+[H]/N=C(/N)\Nc1cc(cc(c1)C(F)(F)F)C2CCNCC2	FSZ	1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine
+c1ccc(cc1)Oc2ccc(cc2O)C=O	FT0	3-hydroxy-4-phenoxybenzaldehyde
+c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl	FT1	4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
+c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl	FT2	5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
+c1cc(c(cc1CO)O)Oc2ccc(cc2Cl)Cl	FT3	2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol
+CN([C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4ccc(cc4)F	FT4	[(3r)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9h-carbazol-9-yl]acetic acid
+C1[C@H](C(C(CC1C(=O)O)O)O)O	FT5	(3~{r})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
+c1cc2c(cc1F)[nH]cc2C[C@@H](C(=O)O)N	FT6	6-fluoro-l-tryptophan
+CC[C@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4F)F)C)C	FT7	1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-n-[(1r)-1-phenylpropyl]-1h-indole-5-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S	FT8	omapatrilat
+c1ccc(cc1)Nc2ccc(cc2)N\C=C(\C#N)/c3n[nH]nn3	FTA	3-(4-phenylamino-phenylamino)-2-(1h-tetrazol-5-yl)-acrylonitrile
+CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)Cc4ccccc4F	FTB	n-{4-[1-(2-fluorobenzyl)-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-ylmethyl]-phenyl}-acetamide
+CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)Cl	FTC	n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-chloro-pyridyl]-thiourea
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2CC(=C(NC2=O)N)F	FTD	[(2r,5s)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate
+c1ccc(cc1)N=C=S	FTE	phenylisothiocyanate
+c1ccc(cc1)CNC[C@@H](CC[C@@H](C(=O)NCCc2ccc(cc2)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	FTG	(2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-n-[2-(4-hydroxyphenyl)ethyl]hexanamide
+Cn1cncc1C[C@@H](C(=O)N2CCC(=C(C2)c3cccc4c3cccc4)C#N)NCc5ccc(cc5)C#N	FTH	1-[2-(4-cyano-benzylamino)-3-(3-methyl-3h-imidazol-4-yl)-propionyl]-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile
+c1ccc2c(c1)cccc2C3=C(CCN(C3)C(=O)Cc4cncn4Cc5ccc(cc5)C#N)C#N	FTI	1-{2-[3-(4-cyano-benzyl)-3h-imidazol-4-yl]-acetyl}-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl	FTJ	(2r)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid
+c1ccc(cc1)C(=O)CC(=O)CC(=O)C(F)(F)F	FTK	6,6,6-trifluoro-1-phenylhexane-1,3,5-trione
+Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(c(c3)c4cccc5c4cccc5)C#N	FTL	4-[(3-cyano-benzyl)-(3-methyl-3h-imidazol-4-ylmethyl)-amino]-2-naphthalen-1-yl-benzonitrile
+C(C(=O)N)F	FTM	2-fluoroacetamide
+CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F	FTN	n-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2ccccc2)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	FTO	~{tert}-butyl ~{n}-[(2~{s},3~{r},5~{r})-6-[[(2~{s})-1-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
+Cc1c(sc[n+]1Cc2cnc(nc2N)C(F)(F)F)CCOP(=O)([O-])[O-]	FTP	3-(4-amino-2-trifluoromethyl-pyrimidin-5-ylmethyl)-4-methyl-5-(2-phosphonatooxy-ethyl)-thiazol-3-ium
+CCCCn1cc[n+](c1[Au]c2n(cc[n+]2C)CCCC)C	FTQ	bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold
+c1cc2c(cc1F)c(c[nH]2)C[C@@H](C(=O)O)N	FTR	fluorotryptophane
+c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CN[C@H](C2)CF	FTS	(3r)-3-(fluoromethyl)-n-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
+CCCCCCCCCCC[C@H](CC(=O)O)O	FTT	3-hydroxy-tetradecanoic acid
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)F	FTU	5-fluorotubercidin
+C[C@H](C(=O)O)Oc1ccc(cc1Cl)Cl	FTV	(2r)-2-(2,4-dichlorophenoxy)propanoic acid
+CC(C)(CO)NCCn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5ccc(c6c5cccc6)OC	FTW	5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4Cl	FTX	(1s)-1-[(7-chloranyl-1h-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1h-isoquinoline-2-carbaldehyde
+c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)P(=O)(O)O	FTY	deoxy-difluoromethelene-phosphotyrosine
+c1cc(c(c(c1)Cl)CNc2[nH]nc(n2)c3ccco3)F	FTZ	n-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2h-1,2,4-triazol-3-amine
+c1cc(oc1)CCOC(=O)O	FU0	2-(furan-2-yl)ethyl hydrogen carbonate
+C1CCOC1	FU1	tetrahydrofuran
+c1cc(oc1)C=O	FU2	furfural
+c1c(cc(c(c1OCCCC(F)(F)F)c2c3c(nc(n2)N)CN(C3)C(=O)NC4CCC4)Cl)Cl	FU3	2-amino-n-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidine-6-carboxamide
+C[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O	FU4	2,6-anhydro-1-deoxy-d-galactitol
+Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F	FU5	4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine
+C=CC(=O)Nc1cc(cc(c1)C(=O)NCC#C)c2c3ccccc3[nH]n2	FU6	3-(1h-indazol-3-yl)-5-(prop-2-enoylamino)-n-prop-2-ynyl-benzamide
+CC(CNC(=O)N1Cc2c(nc(nc2c3c(cc(cc3Cl)Cl)OCCn4cccn4)N)C1)(F)F	FU7	2-amino-4-{2,4-dichloro-6-[2-(1h-pyrazol-1-yl)ethoxy]phenyl}-n-(2,2-difluoropropyl)-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidine-6-carboxamide
+C1C[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	FU8	dicarbonyl[bis(cyanide-kappac)]-mu-(ethanethiolatato-1kappas:2kappas)-mu-(ox omethylidene)diiron(2+)
+c1cc(cc(c1)Nc2c3c(cnc(n3)NC4CC4)c5ccc(cc5n2)C(=O)O)C(F)(F)F	FU9	3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid
+C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C	FUA	fusidic acid
+C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O	FUB	beta-l-arabinofuranose
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O	FUC	alpha-l-fucopyranose
+C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O	FUD	d-fructose
+C[C@@H]1CN([C@H](CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(c5c4cc(cn5)Cc6ccc(cc6)F)(C)C	FUE	2-[[(2~{r},5~{r})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{h}-isoindol-1-one
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)F)O)O	FUF	2-deoxy-2-fluoro-beta-l-fucopyranose
+CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC)C	FUG	fumagillin
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O	FUH	[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{s},5~{r},6~{r})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{r})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate
+CC(C)C1=C(C(=O)N(N1C)c2ccccc2)NC(=O)Nc3ccc(cc3)Cl	FUI	n-(4-chlorophenyl)-n'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1h-pyrazol-4-yl]urea
+COc1ccc2c(c1)OC(=O)C=C2CP(=O)(O)O	FUJ	[(7-methoxy-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+C[C@@H]1CN([C@H](CN1)CN2[C@@H](COC[C@H]2C)C)CC(=O)N3CC(c4c3cc(cn4)[C@H](c5ccc(cc5)F)O)(C)C	FUK	2-[(2~{r},5~{r})-2-[[(3~{r},5~{r})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{s})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]ethanone
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O	FUL	beta-l-fucopyranose
+C(=C/C(=O)O)\C(=O)O	FUM	fumaric acid
+c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl	FUN	5-(aminosulfonyl)-4-chloro-2-[(2-furylmethyl)amino]benzoic acid
+c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCN(CC4)C(=O)CC5CC5	FUO	2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-n-(phenylmethyl)ethanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)F	FUP	2',3'-dideoxy-3'-fluoro-urididine-5'-diphosphate
+O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O	FUQ	mo5 cluster
+c1cc(oc1C=NN2C=COC2=O)[N+](=O)[O-]	FUR	furazolidone
+NS(=O)(=O)N	FUS	sulfuric diamide
+c1cc(cc(c1)OCC(=O)O)CNC(=O)Nc2nnc(o2)c3ccco3	FUU	2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid
+c1cc2c(cc1Cl)C(=N[C@@H]3CC=CC[C@H]3O2)N4CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	FUV	(5ar,9ar)-2-chloro-11-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine
+c1cc(oc1CO)C=O	FUX	5-hydroxymethyl-furfural
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)N=[N+]=N)O)O)O	FUY	beta-l-fucosyl-azide
+c1ccc(c(c1)C(=O)O)NCc2ccco2	FUZ	2-[(furan-2-ylmethyl)amino]benzoic acid
+CC(C)CNC[C@H]([C@H](Cc1ccccc1)N)O	FV0	(2r,3s)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol
+C[C@H]1[C@H](O1)[P@](=O)(O)O[V](=O)(O)O	FV1	dihydroxy{[(2r,3s)-3-methyloxiran-2-yl]phosphonato-kappao}oxovanadium
+[O][Mo]12(O[Mo]3(O[Mo]456(O3[Mo]7(O1)(O2[Mo]8(O7[Mo]91(O4)(O8[Mo]2(O9[Mo](O15)(O2)(O6)([O])[O])([O])([O])[O])[O])([O])([O])[O])([O])[O])[O])([O])([O])[O])([O])[O]	FV2	mo8 cluster
+CC(=CCC/C(=C/CC/C(=C/COC[C@H](CO)O)/C)/C)C	FV3	(2s)-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
+Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)Cl	FV4	6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=O)(=O)C	FV5	(1r,2s)-1-hydroxy-2-{[n-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5ccccc5Cl)Cl	FV7	6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole
+C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCc3c[nH]cn3)O	FV8	(4~{s},5~{r})-2-[2,3-bis(oxidanyl)phenyl]-~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-~{n}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide
+c1cc(cc(c1)NC(=O)c2ccc(cc2)F)c3nc(c4ccsc4n3)NC(P(=O)(O)O)P(=O)(O)O	FV9	{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
+CC(C)[C@@H](C(=O)O)NC=O	FVA	n-formyl-l-valine
+B(c1ccc(cc1C)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)(O)O	FVC	[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)C5=CCNCC5)Cl	FVD	6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1h-benzimidazole
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=O)(=O)C	FVE	(1s,2s)-1-hydroxy-2-{[n-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(O)O[C@@H](Cc3ccccc3)C(=O)O	FVF	o-((((n-phenyl-methoxy-carbonyl)-phenyl alanyl-carbonyl)amino)-isobutyl)hydroxy phosphinyl)-3-phenylacetic acid
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)N5CCC[C@H]5CN)Cl	FVG	1-[(2s)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CCC[C@H](C5)C(=O)N)O)O)O)OP(=O)(O)O)N	FVH	[[(2~{r},3~{s},4~{r},5~{r})-5-[(3~{r})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5c([nH]nc5C)C)Cl	FVJ	6-chloro-4-(3,5-dimethyl-1h-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole
+c1cc(ccc1O)OC[C@H](CNCCNC(=O)N2CCOCC2)O	FVK	~{n}-[2-[[(2~{s})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)c6c([nH]nc6C)C)Cl	FVM	6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1h-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1h-benzimidazole
+C[C@@H](Cc1ccc(cc1)OC)NC[C@H](c2ccc(c(c2)NC=O)O)O	FVN	~{n}-[5-[(1~{s})-2-[[(2~{s})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide
+Cc1cc(cc(c1O)C)C(=O)NC[C@H]([C@H]([C@H]2[C@@H]([C@H](C[C@@](O2)(C(=O)O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OCCN)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCCC6)O)O	FVP	2-aminoethyl 5-{[(4-cyclohexyl-1h-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranonosyl-(2->6)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranoside
+c1cc(cnc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	FVQ	3-(pyridin-3-yl)prop-2-yn-1-yl alpha-d-mannopyranoside
+CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc(cc4)OCc5ccccc5	FVR	3-methyl-2-[[(3r,5r)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5h-pyrrolo[3,2-d]pyrimidin-4-one
+C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCC[S@@](=O)CCCC(C(F)(F)F)(F)F)O	FVS	(7beta,9beta,13alpha,17beta)-7-{9-[(r)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol
+C(CC(=O)O)C(=O)CN	FVT	5-azanyl-4-oxidanylidene-pentanoic acid
+c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F	FVV	10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
+CN(c1ccc(nc1)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	FVW	(2~{s})-2-[[(2~{s})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F	FVX	fluvoxamine
+Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F	FVY	1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1h-benzimidazol-2-amine
+c1cc(ccc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F	FVZ	(2~{s})-2-[[(2~{s})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O)[C@H](C)COC(=O)C)O)C)COC	FW1	fusicoccin a aglycone
+C([C@H]([C@H](CO)O)O)C(=O)C(=O)O	FW2	l-2-keto-3deoxy-gluconate
+Cc1cc2c(cc1C)n(c(n2)N3CCNCC3)Cc4ccc(c(c4)Cl)F	FW4	1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1h-benzimidazole
+COC[C@H](CO)O	FW5	(2~{s})-3-methoxypropane-1,2-diol
+CCc1cccc(c1)OP(=O)(O)O	FW6	(3-ethylphenyl) dihydrogen phosphate
+c1cc(c(cc1Cn2c3cc(ccc3nc2N4CCNCC4)Cl)Cl)F	FW7	6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCn4cc(nn4)c5ccnc(c5)NC(=O)Nc6cccc7c6[C@@H]8CCCCN8C7=O	FW8	1-[(10~{b}~{s})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea
+COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)OCO4	FW9	n4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)N6CCN(CC6)C)Cl	FWA	6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1h-benzimidazole
+C[C@@H](Cc1cc(cc(c1)O)C(F)(F)F)N	FWB	3-[(2~{s})-2-azanylpropyl]-5-(trifluoromethyl)phenol
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4NC)O	FWC	n-methylanthraniloyl-coa
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F	FWD	2-amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
+C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3C=C(N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O)N	FWE	4-[[4-[[4-[(3~{s})-5-azanyl-3-[[4-[[(~{e})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2-oxidanylidene-3~{h}-pyrrol-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid
+C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C(C)C	FWF	n,n'-[biphenyl-4,4'-diyldi(2r)propane-2,1-diyl]dipropane-2-sulfonamide
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCCC4	FWG	cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
+Cc1cc(c2ccccc2n1)C(=C)c3ccc4c(c3)c5ccccc5n4C	FWH	9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C	FWI	(1r,2s)-2-{[n-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl]propane-1-sulfonic acid
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Cc4ccc(cc4)F	FWJ	2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+CC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	FWK	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol
+C(CC(=O)O)c1c(c([nH]c1I)CN)CC(=O)O	FWL	3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1h-pyrrol-3-yl]propanoic acid
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)CC4CCCCC4	FWM	2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+CCOCCOCCOCCO	FWN	2-[2-(2-ethoxyethoxy)ethoxy]ethanol
+CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N	FWO	(2s)-2-[[(3s)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid
+COc1ccc(c(c1)OC)CC(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4	FWP	2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-]	FWQ	p-sulfonatocalix[6]arene
+C[C@H]1CN(CCN1C(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c4cccc5c4ccnc5	FWS	(2s)-n-(2h-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-]	FWT	p-sulfonatocalix[8]arene
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Nc4cccc(c4Cl)Cl	FWV	n-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide
+C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3CC(=O)N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O	FWW	4-[[4-[[4-[(3~{s})-3-[[4-[[(~{e})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid
+CCNc1nc2c(c(n1)C(=O)N)CN(CC2)C(=O)CCc3ccc(cc3)C(C)C	FWX	2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5h-pyrido[4,3-d]pyrimidine-4-carboxamide
+c1cc(cc(c1)[N+](=O)O)C(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4	FWY	hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium
+Cc1c(scn1)c2ccc(c(c2)OCCc3ccc(cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@H](C(C)(C)C)NC(=O)C8(CC8)F)O	FWZ	(2~{s},4~{r})-~{n}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{s})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O	FX0	(2s,4r)-4-[(3r,5s,6r,7r,8r,9s,10s,12s,13r,14s,17r)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid
+C([C@@H]1C(=O)[C@@H]([C@](O1)(CO)O)O)O	FX1	beta-d-threo-hexo-2,4-diulo-2,5-furanose
+CC1C(=O)c2ccc(cc2N=C1c3cnn(c3)Cc4ccc(cc4)OC(F)(F)F)OC	FX2	7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{h}-quinolin-4-one
+COc1cc(ccc1O)\C=C\C(=O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)O)O)O	FX3	5-o-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-l-ribofuranose
+COc1ccc(cc1OCC(=O)O)\C=C/2\C(=O)N(C(=O)S2)CC(=O)O	FX4	[(5z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
+c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O	FX5	2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol
+CC[C@@H](C(=O)O)Sc1[nH]c2c(n1)c(ncn2)N	FX6	(2s)-2-[(6-azanyl-9h-purin-8-yl)sulfanyl]butanoic acid
+CCCCCCCC(=O)Oc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-]	FX7	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl octanoate
+Cc1c(scn1)c2ccc(c(c2)OCCOCCOCCN3CCN(CC3)c4cc(nnc4N)c5ccccc5O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@H](C(C)(C)C)NC(=O)C7(CC7)F)O	FX8	(2~{s},4~{r})-~{n}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{s})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1ccc(c(c1)NC(=O)c2ccc(cc2)N3C=CC=CC3=O)S(=O)(=O)Nc4ccc(cn4)Cl	FXA	n-(2-(((5-chloro-2-pyridinyl)amino)sulfonyl)phenyl)-4-(2-oxo-1(2h)-pyridinyl)benzamide
+CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2	FXB	5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione
+c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]	FXD	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl benzoate
+Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC	FXE	1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea
+CCCCNC(=O)c1cccc(c1)NC(=O)CCCCCNc2c3c([nH]cn3)ncn2	FXG	n-butyl-3-{[6-(9h-purin-6-ylamino)hexanoyl]amino}benzamide
+CN(C)Cc1c2ccccc2ccc1O	FXH	1-[(dimethylamino)methyl]naphthalen-2-ol
+CCCCN(C(=O)Nc1ccc(cc1)Cl)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C	FXI	1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-n-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide
+COc1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]	FXJ	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate
+c1ccc2c(c1)c(c[nH]2)CO	FXK	1~{h}-indol-3-ylmethanol
+CC/C=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C	FXM	2,2-dimethylpropanoyloxymethyl (2r)-5-(aminocarbonyloxymethyl)-2-[(1r)-1-[[(z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]- 3,6-dihydro-2h-1,3-thiazine-4-carboxylate
+c1cc2c(cc1F)cc([nH]2)C(=O)NCCS	FXN	5-fluoro-1h-indole-2-carboxylic acid-(2-mercapto-ethyl)-amide
+[H]/N=C(/N)\NCCCCNC(=N)N	FXQ	1-(4-carbamimidamidobutyl)guanidine
+CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)NCc4cccnc4)C2=O	FXR	6-azanyl-11-methyl-2-oxidanylidene-n-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide
+c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-]	FXS	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate
+[H]/N=C(/N)\NCCCCCNC(=N)N	FXT	1-(5-carbamimidamidopentyl)guanidine
+CS(=O)(=O)CC[C@H](C(=O)Nc1cccc(c1)OC(F)(F)F)N	FXU	(2r)-2-azanyl-4-methylsulfonyl-n-[3-(trifluoromethyloxy)phenyl]butanamide
+C[C@H]([C@@H](Cc1cccc(c1)C(=[NH2+])N)C(=O)OC)NC(=O)c2ccc(cc2)c3cc[n+](cc3)[O-]	FXV	methyl-3-(4'-n-oxopyridylphenoyl)-3-methyl-2-(m-amidinobenzyl)-propionate
+c1cc2c(cc1CCc3ccc4c(c3)N(CNS4(=O)=O)C5CC5)N(CNS2(=O)=O)C6CC6	FXW	6,6'-(ethane-1,2-diyl)bis(4-cyclopropyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide)
+c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CC(=O)O)N	FXX	(3r)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid
+CCCCCC[C@@H](C)NC=O	FXY	1-methylheptylformamide
+CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)O	FY0	(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoic acid
+COCOc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-]	FY1	n-{[3,5-dibromo-2-(methoxymethoxy)phenyl]methyl}-2-nitrobenzamide
+c1cc(c(c(c1C[C@@H](C(=O)O)N)F)F)O	FY2	2,3-difluoro-l-tyrosine
+c1c(c(c(c(c1F)O)F)F)C[C@@H](C(=O)O)N	FY3	2,3,5-trifluoro-l-tyrosine
+c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Cl)Br)Br)[N+](=O)[O-]	FY4	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate
+C[C@]12CC[C@H]3c4ccc(cc4CC[C@@H]3[C@@H]1CCC2=O)OS(=O)(=O)O	FY5	estrone 3-sulfate
+C[C@@H](c1nccn1CCCc2ccc(cc2)Cl)O	FY6	(1s)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol
+c1ccc(c(c1)C#N)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]	FY7	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate
+c1cc(c(cc1Cl)NC(=O)C2CCNCC2)O	FY8	n-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide
+CS(=O)(=O)C[C@@H]([C@H](C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(cc3)CO)N)O	FY9	(2r,3r)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one
+c1ccc(cc1)C[C@@H](CO[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	FYA	adenosine-5'-[phenylalaninol-phosphate]
+c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCC(CC3)(F)F)O	FYB	~{n}-[[4,4-bis(fluoranyl)-1-oxidanyl-cyclohexyl]methyl]-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide
+C/C(=C\c1ccccc1F)/C(=O)NCc2ccc3c(c2)NC(=O)N3	FYC	3-(2-fluorophenyl)-2-methyl-n-((2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)methyl)acrylamide
+COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]	FYD	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate
+c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O	FYE	6-fluoranyl-~{n}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide
+C[C@@H](c1nccn1Cc2cc(on2)c3ccccc3)O	FYF	(1s)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol
+C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N	FYG	(2s,5r)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
+c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3CCOCC3	FYH	3-(morpholin-4-ylmethyl)-~{n}-[4-(trifluoromethyloxy)phenyl]benzamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC	FYI	n-{(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-isoleucyl-l-aspartamide
+c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O	FYJ	phenyl 1-thio-beta-d-glucopyranosiduronic acid
+c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O	FYK	3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
+C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)OCC(CO)(CO)N)O	FYL	2-azanyl-2-[[4-[2-[3-[[2-[(1s)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol
+CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3c(cc2C(=O)NCc4ccc(cc4)OC)OCO3	FYM	2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O	FYN	s-{(9r,13s,15r)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate 
+C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N	FYO	4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1h-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile
+CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F	FYP	ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
+CNC(=O)C[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N	FYQ	n~2~-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-glutaminyl-l-aspartamide
+c1ccc(cc1)c2ccc(c(c2)O)C(=O)O	FYR	2-oxidanyl-4-phenyl-benzoic acid
+CC[C@@H](c1ccc(cc1)O)C(c2ccc(cc2)O)c3ccc(cc3)O	FYS	4,4',4''-[(2r)-butane-1,1,2-triyl]triphenol
+C1=C(C(=O)NC(=O)N1)C=O	FYU	2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
+c1cc2ncc(n2nc1)c3ccncc3	FYV	3-(pyridin-4-yl)imidazo[1,2-b]pyridazine
+c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4cncnc4)OC(F)(F)F	FYW	6-[(3~{r})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{n}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide
+c1cnccc1c2[nH]nc(n2)c3ccnc(c3)C#N	FYX	4-(5-pyridin-4-yl-1h-1,2,4-triazol-3-yl)pyridine-2-carbonitrile
+B(c1ccccc1)(c2ccc(cc2)Br)OCCN	FYY	2-aminoethyl (4-bromophenyl)phenylborinate
+c1ccc(cc1)c2ccc(cc2)C#CCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	FYZ	(2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-[3-(4-phenylphenyl)prop-2-ynoxy]oxane-3,4,5-triol
+c1cc(cc(c1)OC(F)(F)F)NC(=O)CN	FZ0	2-azanyl-n-[3-(trifluoromethyloxy)phenyl]ethanamide
+COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5	FZ1	4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline
+c1cc(ccc1CCCn2ccnc2)Cl	FZ3	1-[3-(4-chlorophenyl)propyl]imidazole
+B(c1ccccc1)(c2ccccc2)OCCN	FZ4	2-aminoethyl diphenylborinate
+CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	FZ5	scorzodihydrostilbene a
+c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CO)N	FZ6	(2r)-2-azanyl-3-oxidanyl-n-[3-(trifluoromethyloxy)phenyl]propanamide
+c1ccc2c(c1)[nH]c(n2)C3CCN(CC3)c4c5cn[nH]c5ncn4	FZ8	4-[4-(1h-benzimidazol-2-yl)piperidin-1-yl]-1h-pyrazolo[3,4-d]pyrimidine
+c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)c4c5cn[nH]c5ncn4	FZ9	4-[4-(1h-indol-3-yl)-3,6-dihydropyridin-1(2h)-yl]-1h-pyrazolo[3,4-d]pyrimidine
+CN1c2cccc(c2C(=O)N3[C@H]1c4c(c5c([nH]4)cccc5OC)CC3)OC	FZA	(13bs)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7h)-one
+CC1=Cc2ccnc(c2NC1=O)NC3C[C@H]4CC[C@@H](C3)N4C	FZB	3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1h)-one
+Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCC(CC6)(F)F)N5	FZE	8-(((1r,2r,3r,5s)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1h)-one
+COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)C(=O)N5CCOCC5	FZF	4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCS(=O)(=O)CC6)N5	FZH	8-[[(1~{s},2~{r},3~{r},5~{r})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{h}-quinolin-2-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C	FZI	(1s,2s)-2-{[n-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl]propane-1-sulfonic acid
+CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C	FZJ	3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O	FZK	5'-o-(n-(l-seryl)-sulfamoyl)uridine
+COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)N5CCCC5=O	FZL	4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1ccc(cc1)c2cn3c(n2)CCC3	FZM	2-phenyl-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole
+C/C(=N/CCCC[C@@H](C(=O)O)N)/S[C@@H]1[C@@H]([C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	FZN	(2s)-2-amino-6-{[(1z)-1-{[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid
+COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCOCC4)N5CCCC5=O	FZO	2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCC(=O)Nc1cccc(c1)N(c2ccnc(n2)Nc3ccn(n3)C)C(=O)OCc4ccc(cc4)F	FZP	(4-fluorophenyl)methyl {2-[(1-methyl-1h-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O	FZQ	5'-o-(n-(l-seryl)-sulfamoyl)cytidine
+Cn1cc(cn1)Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4	FZR	4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO)[C@@H]2N=C(C(=C)CS2)C(=O)O	FZS	(2r)-2-[(1s)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O	FZT	5'-o-(n-(l-seryl)-sulfamoyl)n3-methyluridine
+C1[C@@H]([C@H]([C@H]([C@](O1)(CO)O)O)O)O	FZU	(2r,3r,4r,5s)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3	FZV	tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+Cc1ccc(cc1Nc2nc(nc(n2)c3cccnc3)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	FZW	3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+c1ccc(cc1)Cn2ccnc2C(=O)O	FZX	1-(phenylmethyl)imidazole-2-carboxylic acid
+Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C	FZZ	1-deoxy-5-o-phosphono-1-[(10ar)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6h-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-d-ribitol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	G	guanosine-5'-monophosphate
+[H]/N=C(/N)\SCc1ccc(c(c1)Cl)OCCCC	G00	4-butoxy-3-chlorobenzyl imidothiocarbamate
+C[P@](=O)(N[C@H](CCC(=O)O)C(=O)O)O	G01	n-[(r)-hydroxy(methyl)phosphoryl]-d-glutamic acid
+Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cnccn4)C)C(=O)Nc5cccc(c5)C(F)(F)F	G02	4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCSC)C(=O)OC)O	G03	methyl (2s)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC	G04	(3r,3as,4r,6ar)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)OC2C[C@@H]3[C@H](C2)OCCO3)O)S(=O)(=O)c4ccc(cc4)OC	G05	(4ar,6r,7as)-hexahydro-4ah-cyclopenta[b][1,4]dioxin-6-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCSC)C(=O)OC)O	G06	methyl (2s)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)O	G07	4-{[(2r,3s)-3-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)N	G08	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2CC=C)c4ccc(cc4)OCc5ccccc5	G09	2-[[(3~{r},5~{r})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{h}-pyrrolo[3,2-d]pyrimidin-4-one
+C1[C@H]([C@@H]([C@H]([C@H]([C@H]1NC(=[NH2+])N)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O)O)NC(=[NH2+])N	G0B	(1s,2r,3s,4r,6s)-4,6-bis{[amino(iminio)methyl]amino}-2-{[3-o-(2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-l-glucopyranosyl)-beta-d-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-l-glucopyranoside
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCSC)O	G0C	[6-methyl-4-[(e)-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3	G0D	tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cncnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F	G0E	4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCSC)O	G0F	[6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5	G0G	n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(n-benzylbenzenesulfonamide)
+Cc1ccc(cc1Nc2c3ccccc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	G0H	4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN[C@H](Cc2ccccc2)C(=O)NCc3cccnc3	G0J	nalpha-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-n-[(pyridin-3-yl)methyl]-d-phenylalaninamide
+Cc1ccc(cc1Nc2c3cccnc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	G0K	4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3	G0M	tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+Cc1ccc(cc1Nc2nc(nc(n2)c3ccncc3)c4ccncc4)C(=O)Nc5cccc(c5)C(F)(F)F	G0N	3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+C[C@H](CS)C(=O)Nc1cccc(c1)c2n[nH]nn2	G0O	(s)-n-(3-(2h-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide
+c1cc(ccc1C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	G0P	n-[(2s)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-d-galactopyranosyloxy)benzamide
+Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)Cl	G0Q	~{n}-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
+[H]/N=C(/N)\NCCCCNC(=O)C	G0R	n-(4-carbamimidamidobutyl)ethanamide
+C(CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)O	G0S	3-(beta-d-galactopyranosylthio)propanoic acid
+CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	G0T	(2s)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NCC4CCCC4)N5CCCC5=O	G0U	4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3	G0V	tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+CC[N+](CC)(CCCCCN1C(=CC(=O)N(C1=O)CCCCC[N+](CC)(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-]	G0W	1,3-bis[5(diethyl-o-nitrobenzylammonium)pentyl]-6-methyluracil
+c1cc(ccc1CNc2c(c(nc(c2Cl)Cl)C(=O)C3=C(CCCC3=O)O)Cl)Cl	G0X	3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCc3cccnc3	G0Y	tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=NC9C8N=CN=C9N)O)O)S)O)O	G0Z	[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2C(CO3)(F)F)O)S(=O)(=O)c4ccc(cc4)N	G10	(3r,3as,6as)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+Cc1ccc(cc1c2ccc(cn2)C(=O)NCC3CC3)C(=O)NC4CC4	G11	6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-n-(cyclopropylmethyl)pyridine-3-carboxamide
+CC1=C(C(=O)Oc2c1ccc(c2Br)O)Br	G12	3,8-dibromo-7-hydroxy-4-methyl-2h-chromen-2-one
+C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c3cccc4c3cccc4)C(C)(C)C)NC	G13	n-[(3ar,6s,6as)-1-(n-methyl-l-alanyl-3-methyl-l-valyl)octahydrocyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide
+c1ccc(cc1)c2[nH]cc(n2)C(=O)O	G14	2-phenyl-1h-imidazole-4-carboxylic acid
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3nc([nH]n3)c4ccc(s4)Cl	G15	5-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1h-1,2,4-triazole-3-sulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O	G16	1,6-di-o-phosphono-alpha-d-glucopyranose
+Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)NC(=O)c5cccc(c5)C(F)(F)F	G17	n-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
+c1ccc2c(c1)-c3ccsc3NC2=O	G18	4h-thieno[2,3-c]isoquinolin-5-one
+C[C@@H]1C=C[C@@]23C[C@@H](C(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)NC(=O)c4ccc(nn4)N)C)O	G19	(2s,3ar,4r,5s,6s,8r,9r,9ar,10r)-2,5-dihydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-prop[1]enocyclopenta[8]annulen-8-yl [(6-aminopyridazin-3-yl)carbonyl]carbamate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)([C@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N	G1C	5'-o-[(r)-{[(s)-[(s)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3	G1D	nalpha-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-n-[2-(pyridin-3-yl)ethyl]-d-phenylalaninamide
+CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc(cnc3)N	G1E	(2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide
+Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)OC)O)O)O	G1G	7-methyl-guanosine-5'-triphosphate-5'-(2'-o-methyl)-guanosine
+C[C@@H]1CCC[C@@H](N1C2=NC(=O)c3cc(cc(c3O2)[N+](=O)[O-])C(F)(F)F)C	G1H	2-[(2~{s},6~{r})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCc3cccnc3	G1J	tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+c1ccc(cc1)OCC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O	G1K	5-hydroxy-6-oxo-2-[(2s)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid
+CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F	G1L	3-chloro-2,2-dimethyl-n-[4-(trifluoromethyl)phenyl]propanamide
+C[C@@H]([P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O	G1M	2'-deoxy-5'-o-[(r)-hydroxy({(s)-hydroxy[(1r)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine
+c1cc(cnc1)S(=O)(=O)Nc2c(ncs2)C(=O)O	G1N	5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid
+CC1=CNC(=O)c2c1c(ccc2)N	G1O	5-amino-4-methylisoquinolin-1(2h)-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O	G1P	1-o-phosphono-alpha-d-glucopyranose
+c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=C(NC2=O)N	G1R	[(2r,3r,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCOP(=O)(Cn1ccc(n1)NC(=O)c2cc(cc(c2)OC(C)C)Oc3cnc(cn3)C(=O)N4CCC4)OCC	G1S	diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1h-pyrazol-1-yl]methyl}phosphonate
+c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F	G1T	8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one
+COC(=O)C1=C(C(=O)c2ccc(cc2N1c3ccccc3)F)Cc4ccc(cc4)S(=O)(=O)CCO	G1W	methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate
+C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)O)N	G1X	(2s)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid
+c1ccc(cc1)C(=O)NCc2cccc(c2)c3cn4c(n3)CCC4	G1Y	n-{[3-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide
+c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F	G1Z	8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one
+[H]/N=C(/N)\N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)C(=O)N(C)CCC)C(=O)O	G20	5-n-acetyl-4-guanidino-6-methyl(propyl) carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid
+CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](CC(O2)C(=O)O)N)NC(=O)C	G21	5-acetylamino-4-amino-6-(phenethylpropylcarbamoyl)5,6-dihydro-4h-pyran-2-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)O)C	G23	(2r,4s)-2-[(r)-benzylcarbamoyl-phenylacetyl-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
+Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O	G24	[4-(3-benzyl-4-hydroxybenzyl)-3,5-dimethylphenoxy]acetic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	G25	guanosine-5'-monophosphate
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)CO)C	G26	2-(benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid (hydroxymethyl-2-phenylethyl)amide
+c1ccc(cc1)CCC[N@@]2C[C@@H]([C@H]([C@@H](C2)O)O)CO	G27	(3r,4r,5r)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol
+CCN(CC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C	G28	5-n-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid
+CC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C	G29	(6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione
+CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO	G2A	2-hydroxy-1-(hydroxymethyl)ethyl icosanoate
+C[C@@H]([C@@H](CNC(=O)N)N)O	G2B	1-[(2~{r},3~{s})-2-azanyl-3-oxidanyl-butyl]urea
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N=C(NC2=O)N	G2C	2'-deoxy-5'-o-[(s)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+Cc1ccc(cc1OC)C(=O)N[C@@H]2CCc3c2cc(cc3)c4cn5c(n4)CCC5	G2D	n-[(1r)-6-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1h-inden-1-yl]-3-methoxy-4-methylbenzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O	G2F	2-deoxy-2-fluoro-alpha-d-glucopyranose
+Cc1ccc(cc1)[n+]2c(cc([nH]2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)c5ccc(nc5)CN6CCOCC6	G2G	5-tert-butyl-2-(4-methylphenyl)-3-{[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1-naphthyl}amino)carbonyl]amino}-1h-pyrazol-2-ium
+C(C(CO)OP(=O)(O)O)O	G2H	2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate
+C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CO	G2I	(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-o-beta-d-glucopyranosyl-beta-d-glucopyranoside
+COc1cccc(c1)C(=O)N(Cc2cccc(c2)c3cn4c(n3)CCC4)CC5CC5	G2J	n-(cyclopropylmethyl)-n-{[3-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide
+c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O	G2K	2-{(2s)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
+COCCO[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O	G2L	3'-o-methyoxyethyl-guanosine-5'-monophosphate
+CC(C)([P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O	G2M	2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine
+CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@H](N2)C)c3ccccc3	G2N	ethyl [(2r)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
+CCC1=C(C2=[N]3C1=Cc4c(c5c6n4[Mg]37N8C(=CC9=[N]7C(=C6[C@H](C5=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OC/C=C(/C)\CC=C[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)C=C)C)C)C	G2O	chlorophyll a ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N	G2P	phosphomethylphosphonic acid guanylate ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)NC(=NC2=O)N	G2Q	guanosine diphosphate ribose
+c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)N=C(NC2=O)N	G2R	[(2r,3r,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=S)(O)S)O)N=C(NC2=O)N	G2S	guanosine-5'-dithiophosphorate
+CCOP(=O)(Cc1csc(n1)NC(=O)c2cc(cc(c2)O[C@@H](C)COC)Oc3ccc(cc3)S(=O)(=O)C)OCC	G2T	diethyl {[2-(3-[4-(methanesulfonyl)phenoxy]-5-{[(2s)-1-methoxypropan-2-yl]oxy}benzamido)-1,3-thiazol-4-yl]methyl}phosphonate
+CN1CCc2c1ccc(c2)c3cn4c(n3)CCC4	G2V	6-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline
+C[C@@H](C(F)(F)F)Nc1c(c(nc2n1ncn2)Cl)c3c(cc(cc3F)OCCCNC)F	G2X	6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-n-[(2s)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@]2([C@H]([C@@H]([C@@H](O2)CCl)O)O)CCl)O)O)Cl)O	G2Y	1,6-dichloro-1,6-dideoxy-alpha-l-sorbofuranosyl 4-chloro-4-deoxy-beta-d-galactopyranoside
+C[C@@H](CNC(=O)O)N	G2Z	[(2~{s})-2-azanylpropyl]carbamic acid
+c1cc(c(cc1F)NC(=O)[C@@H]2C[C@@H]2C(=O)O)F	G30	(1s,2r)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid
+C[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2N=C(NC3=O)N	G31	3'-methyl-2',3'-deoxy-guanosine-5'-monophosphate
+COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	G32	o6-methyl-2'-deoxy-guanosine-5'-monophosphate
+Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	G33	8-methyl-2'-deoxyguanosine 3'-monophosphate
+C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@@H]5CC[C@H](C4)N5C)C	G34	(3as,4r,5s,6s,8r,9r,9ar,10r)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]thio}acetate
+[H]/N=C(\N)/N[C@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	G35	(5r)-5-carbamimidamido-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)imidazolidine-2,4-dione
+CCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	G36	o6-ethyl-2'-deoxyguanosine-5'-monophosphate
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)[C@@H](CC(=O)NCc5[nH]c6ccccc6n5)O)C	G37	2-(benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid 3-[(1h-benzimidazol-2-ylmethylcarbamoyl)-1-benzyl-2-hydroxypropyl]-amide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N=C(NC2=O)N	G38	3'-amino-2'-deoxy-guanosine-5'-monophosphate
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O	G39	(3r,4r,5s)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N	G3A	guanosine-p3-adenosine-5',5'-triphosphate
+Cc1nnc(o1)c2ccc3c(c2)c(co3)c4ccc(cc4)[S@@](=O)C	G3B	2-methyl-5-(3-{4-[(s)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole
+c1cc(ccc1[C@H]2CNCCc3c2cc(c(c3Cl)O)O)O	G3C	(1r)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N	G3D	guanosine-3'-monophosphate-5'-diphosphate
+c1ccc2c(c1)C=C(C(=O)N2)O	G3E	3-hydroxyquinolin-2(1h)-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O	G3F	3-deoxy-3-fluoro-beta-d-glucopyranose
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)N)S(=O)(=O)c5ccc(cc5)N	G3G	n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(4-amino-n-benzylbenzenesulfonamide)
+C([C@H](C=O)O)OP(=O)(O)O	G3H	glyceraldehyde-3-phosphate
+C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)CO	G3I	(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranoside
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cc[nH]n3)Nc4ccccc4Cl	G3J	1-[(2s,4r)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1h-pyrazol-3-yl)-3,4-dihydroquinolin-1(2h)-yl]ethan-1-one
+CC(C)(C(=O)N1CCC[C@@H]1C2=NC(=C(C(=O)N2)O)C(=O)O)Oc3ccc(cc3)Cl	G3K	2-{(2r)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+CC(=O)O[C@H]1CC(=O)OC([C@H]2[C@]1([C@H]3CC[C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3(C(=O)C2)C)O5)c6ccoc6)C)C)(C)C	G3L	nomilin
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](C(=O)O)N)O	G3M	(3s)-n~6~-carbamimidoyl-3-hydroxy-l-lysine
+C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)N	G3N	(2r,3r,4s,5s)-5-amino-3,4-dihydroxytetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1cc(c(c2c1[C@@H](O[C@@H](C2)C34CC5CC(C3)CC(C5)C4)CN)O)O	G3O	(1r,3s)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1h-isochromene-5,6-diol
+C([C@H](COP(=O)(O)O)O)O	G3P	sn-glycerol-3-phosphate
+CC(C)(C)NC[C@H](COc1ccc(cc1)NC(=O)NC2CCCCC2)O	G3Q	r-talinolol
+c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2	G3R	2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol
+CCCCCN1c2ccc(cc2C(=O)C1=O)SCCc3ccc(cc3)C(=O)O	G3S	4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1h-indol-5-yl)sulfanyl]ethyl}benzoic acid
+CC(C)(C)N1CCO[C@@H](C1)COc2ccc(cc2)NC(=O)NC3CCCCC3	G3T	1-[4-[[(2~{s})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea
+Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c(cccn3)OC(F)F	G3U	6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2cnc3c(n2)c(nc(n3)N)N)CO	G3V	n-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-l-glutamic acid
+c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F	G3W	2-(4-fluorophenyl)-~{n}-[(4-phenoxyphenyl)methyl]ethanamine
+COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N@](C2)CCCN5CCCCC5)C=C[C@@H](C4)O	G3X	(4as,6r,8as)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol
+CCNC(=O)Nc1cc2c(ccc(c2cn1)Nc3cccnc3)c4ccncc4	G3Z	1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea
+CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@@](CCC[N@](Cc1ccc(cc1)c2ccsc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O	G40	methyl n-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-thiophen-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
+C1[C@@H]([C@H](OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O	G42	8-oxo-2'-deoxy-guanosine-5'-monophosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccc(c(c1)Cl)OC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	G43	[(3~{a}~{s},4~{r},6~{a}~{r})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{n}-[(2~{s},3~{r})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate
+[H]/N=C(\c1ccc(cc1)CNc2cc(ccn2)C(=O)c3cccc(c3)C)/N	G44	4-({[4-(3-methylbenzoyl)pyridin-2-yl]amino}methyl)benzenecarboximidamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)S(=O)(=O)N(C)C)C#N)C(C)C)C#N)N	G45	5-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{n},~{n}-dimethyl-thiophene-2-sulfonamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)S)O)O)N=C(NC2=O)N	G46	guanosine-5'-monothiophosphate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)NCCS	G47	n2-ethanethiol-2'-deoxy-guanosine-5'-monophosphate
+COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O	G48	2'-o-methyoxyethyl-guanosine-5'-monophosphate
+CNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	G49	n2-methyl-2'-deoxy-guanosine-5'-monophosphate
+CN\1c2ccccc2O/C1=C\c3[n+](c4ccccc4s3)CCCS(=O)(=O)O	G4A	2-[(z)-(3-methyl-1,3-benzoxazol-2(3h)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium
+CCCCCC/C=C\CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]2CCC(=O)N[C@H](C(=O)N[C@H](C(=O)OC2)Cc3ccc(cc3)O)C(C)C	G4B	thalassospiramide c
+C[C@H]1c2cccc(c2C[C@@H](N1C(=O)Cc3c(cccc3Cl)Cl)CO)CCC(C)(C)O	G4C	2-[2,6-bis(chloranyl)phenyl]-1-[(1s,3r)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1h-isoquinolin-2-yl]ethanone
+C1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO	G4D	4-deoxy-alpha-d-glucopyranose
+Cc1cccc(c1C)Nc2[nH]c(nn2)c3ccc(cc3)Oc4ccncc4	G4E	~{n}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{h}-1,2,4-triazol-3-amine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)F)O)O)O)O)N=C(NC2=O)N	G4F	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{s},6~{r})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N	G4G	4,4'-{(3s,4s)-pyrrolidine-3,4-diylbis[(benzylimino)sulfonyl]}dibenzamide
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2C)C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7	G4H	~{n}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide
+Cn1cc(cn1)Nc2nccc(n2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F	G4J	[(1s)-2,2-difluorocyclopropyl][(1r,5s)-3-{2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7	G4K	borussertib
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)O	G4M	[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s,5s,6r)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+CCC(=O)Nc1cccc(c1)C(=O)NC2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6	G4N	~{n}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide
+CC(C)N	G4O	propan-2-amine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	G4P	guanosine-5',3'-tetraphosphate
+CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6	G4Q	~{n}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O	G4S	4-o-sulfo-beta-d-galactopyranose
+CCC(=O)Nc1cc(ccc1Cl)NC(=O)NC2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6	G4T	~{n}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide
+CCCCCCCCCCCCCC=S	G4U	tetradecanethial
+[H]/N=C\N1CC(Oc2c1cc(cc2)c3c4c(c[nH]c4ncn3)CCOC)(F)F	G4V	(z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4h-1,4-benzoxazin-4-yl}methanimine
+c1c(cc(cc1F)F)[C@@H]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N	G4W	6-[4-[(5~{s})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile
+CCCCCCCCCCCCCCCC=S	G4X	hexadecanethial
+[H]/N=C/N[C@H]1CCc2c1cc(cc2)c3c4c(c[nH]c4ncn3)c5ccccc5	G4Y	n-[(1s)-6-(5-phenyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]imidoformamide
+CC(C)([C@H](N(C)CCS)O)Oc1ccc(cc1)Cl	G4Z	(1~{r})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol
+c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O	G50	3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc5c(c4)OCO5)N2)C(F)(F)F	G51	(5r,7s)-n-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC	G52	(3r,3as,3br,6as,7as)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)c5nc(co5)C(=O)OC	G53	methyl 2-{4-[{(2r,3s)-3-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate
+C[C@@]1(CCc2c1cc(cc2)c3c4cc[nH]c4ncn3)NC#N	G54	[(1s)-1-methyl-6-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]cyanamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2CCOCOC2)O)S(=O)(=O)c3ccc(cc3)OC	G55	(5r)-1,3-dioxepan-5-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)COc2ccc(cc2)OC(F)(F)F	G56	(2s)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CC(=O)O)C(C)C)C#N)N	G57	2-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid
+Cn1cc(nc1)S(=O)(=O)[N@@](Cc2ccc(cc2)c3cccc(c3)S(=O)(=O)C)Cc4c(cccc4Cl)F	G58	n-(2-chloro-6-fluorobenzyl)-1-methyl-n-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1h-imidazole-4-sulfonamide
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)F)N2)C	G59	(5r,7r)-5-(4-ethylphenyl)-n-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N	G5A	5'-o-(glycylsulfamoyl)adenosine
+C[C@]12C[C@@H]([C@H](C([C@@H]1CCC(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)(C)C)Cl)Cl	G5B	(3~{r})-3-[(1~{s})-2-[(1~{s},4~{a}~{r},6~{s},7~{s},8~{a}~{r})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{h}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione
+CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)N4CCCC4=O)C#N	G5C	2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCNC(=O)c1ccc(cc1)Nc2nccc(n2)N3C[C@@H]4C[C@H]3CN4C(=O)CC#N	G5D	4-({4-[(1s,4s)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-n-ethylbenzamide
+c1ccc(c(c1)N2C(=NNC2=S)c3ccc(cc3O)O)F	G5E	3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{h}-1,2,4-triazole-5-thione
+C[C@](C[C@@H](C(=O)O)N)(CO)O	G5G	(2s,4s)-2-amino-4,5-dihydroxy-4-methylpentanoic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O	G5H	5'-o-(n-(l-aspartyl)-sulfamoyl)uridine
+COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O	G5J	5'-o-[(s)-hydroxy{[(r)-hydroxy{[(s)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
+C=CC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5	G5K	1-[(3s)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one
+CN(Cc1ccccc1)c2ccc3c(c2)OC(=O)C(=C3)C(=O)O	G5L	7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CS)N)O)O)O	G5M	(2s)-2-{[2-(l-cysteinylamino)-2-deoxy-alpha-d-glucopyranosyl]oxy}butanedioic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O	G5N	5'-o-(n-(l-aspartyl)-sulfamoyl)cytidine
+c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3C(=O)O)Cl	G5O	2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N	G5P	p1-(5'-adenosyl)-p5-(5'-guanosyl) pentaphosphate
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O	G5Q	5'-o-(n-(l-aspartyl)-sulfamoyl)n3-methyluridine
+Cc1cncn1CCCNC(=O)N(CC2CCCC2)c3ccc(c(c3)OC)OCCN4CCOCC4	G5R	1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea
+c1cc(cc(c1)O)c2cccc(n2)N3CCOCC3	G5T	3-(6-morpholin-4-ylpyridin-2-yl)phenol
+CC1=C(C(=O)C(=CO1)O)C(=O)O	G5V	5-hydroxy-2-methyl-4-oxo-4h-pyran-3-carboxylic acid
+C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)OC)C(=O)C)N	G5W	(2~{r})-2-azanyl-~{n}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
+c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N)c4ccnc(n4)N	G5X	1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide
+C1=COC(=C(C1=O)O)C(=O)O	G5Y	3-hydroxy-4-oxo-4h-pyran-2-carboxylic acid
+C[C@H](C(=O)Nc1nc(c(s1)c2cccnc2)C(=O)C)N	G5Z	(2~{r})-2-azanyl-~{n}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
+Cc1c(c2cc(ccc2[nH]1)Cl)CCN	G60	2-(5-chloro-2-methyl-1h-indol-3-yl)ethan-1-amine
+CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)c2cc(cc(c2)OC)OC)NC(=O)OC(C)(C)C)O)S(=O)(=O)c3ccc(cc3)OC	G61	tert-butyl [(2s,3r)-1-(3',5'-dimethoxybiphenyl-3-yl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
+c1cc(cc(c1)O)c2cccc(n2)[C@]34CCOC[C@H]3C4	G62	3-[6-[(1~{s},6~{r})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol
+C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)N	G63	 mannose-alpha-1,3-2-aminodeoxymannojirimycin
+Cc1cc(cc(c1)C(=O)N(C)Cc2c(oc(n2)C)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O	G64	n-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-n'-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-n,5-dimethylbenzene-1,3-dicarboxamide
+Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	G65	masitinib
+CC(C)Oc1ccc(cn1)c2c3cc(ccc3[nH]n2)NC(=O)[C@@]4(CCN(C4)CC(=O)N5CCC(=CC5)c6ccc(cc6)c7ncn(n7)C)SC	G67	(3s)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2h)-yl}-2-oxoethyl)-n-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1h-indazol-5-yl)pyrrolidine-3-carboxamide
+c1cc(cc(c1)O)c2cccc(n2)C3CCOCC3	G68	3-[6-(oxan-4-yl)pyridin-2-yl]phenol
+CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cn3cc(c(n3)C(F)(F)F)CO	G69	n-[(2s)-5-{[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-2,3-dihydro-1h-inden-2-yl]propane-2-sulfonami de
+Cc1ccc(cc1c2ccc(cc2C)c3nnc(o3)C)C(=O)NC4CC4	G6A	n-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
+C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)N)C(=O)C)N	G6B	(2~{r})-~{n}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide
+C1=CC(=O)NC=C1O	G6C	5-oxidanyl-1h-pyridin-2-one
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	G6D	alpha-d-quinovopyranose
+C[C@H](C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C)N	G6E	(2~{r})-2-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N	G6F	3-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid
+Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5ccc(cc5)CN6CCN(CC6)C	G6G	n-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4cc(c(c(c4)OC)OC)OC)NC(=O)c5cccc(c5)C(F)(F)F	G6H	n-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide
+Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5cccc(c5)C(F)(F)F	G6I	n-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide
+CCCN1c2cnc(nc2N([C@@H](C1=O)C)CCC)Nc3cc(c(c(c3)F)O)F	G6J	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5h)-one
+CCC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5	G6K	1-[(3s)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one
+CCCN[C@H]1CCc2c(sc(n2)N)C1	G6L	(6s)-n6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
+c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)CCl)F)N3CCOCC3	G6M	2-chloro-n-({(5s)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
+CCCN1CCO[C@H]2[C@H]1COc3c2cc(cc3)O	G6O	(4ar,10br)-4-propyl-3,4a,5,10b-tetrahydro-2h-chromeno[4,3-b][1,4]oxazin-9-ol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O	G6P	6-o-phosphono-alpha-d-glucopyranose
+C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O	G6Q	glucose-6-phosphate
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)C[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	G6R	n-[(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3s,3ar,5s,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)O	G6S	6-o-sulfo-beta-d-galactopyranose
+c1cc(cc(c1)S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N	G6T	3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]benzenesulfonamide
+CC(C)CCNC/C=C/S(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	G6U	~{n}-[(~{e})-3-[3,5-bis(trifluoromethyl)phenyl]sulfinylprop-2-enyl]-3-methyl-butan-1-amine
+c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)C(Cl)Cl)F)N3CCOCC3	G6V	2,2-dichloro-n-({(5s)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
+CC(=O)c1c(sc(n1)NC(=O)C(C)(C)N)c2cc(cnc2)N	G6W	2-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide
+COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N@@](C2)CCCCCCN5C(=O)c6ccccc6S5(=O)=O)C=C[C@@H](C4)O	G6X	2-{6-[(4as,6r,8as)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12h)-yl]hexyl}-1 ,2-benzisothiazol-3(2h)-one 1,1-dioxide
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccc(cc3)C(=O)O	G6Y	3'-[(2r)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid
+CC(=O)c1c(sc(n1)NC(=O)C2(CCC2)N)c3cc(cnc3)N	G6Z	1-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
+CC[C@H](C)[C@@H](C(=O)N[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](CC2CCCCC2)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@H]3CCCCN3C	G70	(2~{s},4~{s})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-4-methyl-3-[[(2~{s},3~{s})-3-methyl-2-[[(2~{r})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid
+c1cc(sc1CCCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	G71	n-({5-[4-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-l-glutamic acid
+C[C@]12CCC/C(=C\C=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O	G72	(1r,3r,7e,17beta)-17-[(1s)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol
+Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc(cc4)OC)[nH]cn3)C)/C=C/C#N	G73	(2e)-3-[4-({6-[(4-methoxyphenyl)amino]-7h-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C	G74	ethyl (4r)-4-[(tert-butoxycarbonyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	G75	ethyl (4r)-4-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+CCCCCCCn1cc[n+](c1)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	G76	[2-(1-heptyl-1h-imidazol-3-ium-3-yl)ethane-1,1-diyl]bis(phosphonate)
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@@H]2C[C@H]3C[C@H]4[C@@H]2CO[C@H]4O3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	G77	(1s,3ar,4r,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2s,3r)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCC[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC	G79	(3ar,3br,4s,7ar,8as)-decahydrofuro[2,3-b][1]benzofuran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)O)N2)C(F)(F)F	G7A	(5r,7s)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
+CC(=O)c1csc(n1)NC(=O)C(C)(C)N	G7B	2-azanyl-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide
+c1cc(c(cc1NCc2cnc3c(n2)C(=O)NC(=N3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	G7D	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-l-glutamic acid
+CC(=O)c1c(sc(n1)NC(=O)C2CNCCN2)c3ccc(cc3)C(=O)N4CCOCC4	G7E	~{n}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide
+c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O	G7G	genistein-7-o-glucuronide
+CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3ccc(cc3)N4CCCC4=O	G7H	(2~{r})-~{n}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide
+C1C=C2C=C(C(=O)C=C2N1)O	G7J	5-hydroxy-1,2-dihydro-6h-indol-6-one
+COc1ccc2c(n1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)C(c5ccc(cc5)F)(F)F	G7K	trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	G7M	n7-methyl-guanosine-5'-monophosphate
+[H]/N=C(/N)\N[C@H](C)C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C	G7N	(2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
+C(CP(=O)(O)O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	G7P	6,7-dideoxy-7-phosphono-beta-d-gluco-heptopyranose
+CC(=O)c1csc(n1)NC(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F	G7Q	(2~{r})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
+Cc1cc(ccc1c2c3c(ncnc3n(n2)C(C)C)N)NC(=O)CCC(=O)c4ccc(c(c4)C(F)(F)F)F	G7T	~{n}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cc[nH]n3)Nc4ccc(cc4)C#N	G7V	4-{[(2s,4r)-1-acetyl-2-methyl-6-(1h-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile
+CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)/C=C/C(=O)c4ccc(c(c4)C(F)(F)F)F)c(ncn2)N	G7W	(~{e})-~{n}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide
+Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C	G7X	ispinesib mesilate
+CNC(=O)CCN1C(=O)CCC1=O	G7Z	3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{n}-methyl-propanamide
+C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4CCNCC4)C	G80	(3as,4r,5s,6s,8r,9r,9ar,10r)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl (piperidin-4-ylthio)acetate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C	G81	ethyl (4r)-4-{[n-(tert-butoxycarbonyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3	G82	ethyl (5s,8s,11r)-8-benzyl-5-(3-tert-butoxy-3-oxopropyl)-3,6,9-trioxo-11-{[(3s)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3	G83	ethyl (5s,8s,11r)-8-benzyl-5-(2-tert-butoxy-2-oxoethyl)-3,6,9-trioxo-11-{[(3s)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCC3c4ccccc4-c5c3cccc5	G84	o-tert-butyl-n-[(9h-fluoren-9-ylmethoxy)carbonyl]-l-threonyl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](COC(C)(C)C)NC(=O)OCc3ccccc3	G85	n-[(benzyloxy)carbonyl]-o-tert-butyl-l-seryl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OC(C)(C)C	G86	n-(tert-butoxycarbonyl)-o-tert-butyl-l-threonyl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide
+Cc1ccc(c(c1Cl)NS(=O)(=O)c2nc3nc(cc(n3n2)OC)OC)Cl	G87	metosulam
+C(CC(=O)O)[C@H](CP(=O)(O)O)C(=O)O	G88	(2s)-2-(phosphonomethyl)pentanedioic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@@H]3O)O)S(=O)(=O)c4ccc(cc4)OC	G89	(3r,3ar,5r,6ar)-3-hydroxyhexahydro-2h-cyclopenta[b]furan-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)I)OC	G8A	ethyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4ccccc4OC)N	G8B	3-azanyl-~{n}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC	G8C	1,2-dioctanoyl-sn-glycero-3-phosphoethanolamine
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)OP(=O)(O)O	G8D	[(2r,3s,4r,5r)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
+c1cc(cnc1)NC(=O)c2c(ncc(n2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)N	G8E	3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{n}-pyridin-3-yl-pyrazine-2-carboxamide
+COc1cccc(c1)S(=O)(=O)N	G8F	3-methoxybenzenesulfonamide
+Cc1ncc(c(n1)N)CN(C=O)/C(=C(/CCOP(=O)(O)OP(=O)(O)O)\S)/C	G8G	(3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate
+c1ccc2cc(ccc2c1)CC(=O)Nc3ccccn3	G8H	2-naphthalen-2-yl-~{n}-pyridin-2-yl-ethanamide
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(ccc2OC)c3ccncc3	G8J	6-ethyl-5-{(3s)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+COc1cc(cc(c1OC)OC)C(=O)c2c[nH]c(n2)c3cccc4c3cc[nH]4	G8K	[2-(1h-indol-4-yl)-1h-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
+c1cc2cccnc2c(c1)S(=O)(=O)N	G8L	quinoline-8-sulfonamide
+C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O	G8M	(1s,2r)-2-[(s)-amino(carboxy)methyl]cyclobutanecarboxylic acid
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCOC)N	G8N	3-azanyl-~{n}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
+COc1cc(c(cc1c2cccs2)C(=O)O)OC	G8O	2,4-dimethoxy-5-thiophen-2-yl-benzoic acid
+CC(C)(C)O[C@H](N(C)[C@@H](c1ccccc1)[C@H](NCCS)O)O	G8Q	(1~{r},2~{s})-2-[methyl-[(~{r})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2C[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4O3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	G8R	(1r,3as,4s,6s,7ar)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2s,3r)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N(C)c5ccc(cc5)Cl	G8S	4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium
+CC(c1ccccc1)(c2ccccc2)[C@@H](NCCS)O	G8T	(1~{s})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol
+Cc1c(c(c(c(n1)CO)c2ccc(cc2)Oc3cccc(c3)OC(F)(F)F)O)Cl	G8U	3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol
+CN(C)c1cc[n+](cc1)Cc2ccccc2	G8V	1-benzyl-4-(dimethylamino)pyridinium
+c1cc(ncc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F	G8W	(2~{s})-2-[[(2~{s})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+C1CN[C@@H]([C@@H]1O)C(=O)O	G8X	(2~{s},3~{r})-3-oxidanylpyrrolidine-2-carboxylic acid
+c1cc(ccc1[C@@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF	G8Y	(8r)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2h-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol
+CO[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1O)O)OCC=C)CO	G8Z	prop-2-en-1-yl 4-o-methyl-alpha-d-mannopyranoside
+CC(C)(Cc1c[nH]c2c1cccc2)NC[C@@H](COc3ccccc3C#N)O	G90	2-[(2s)-3-[[1-(1h-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile
+c1cc(ccc1[C@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF	G91	(8s)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2h-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol
+COc1cc2c(cc1OC)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4)OC(F)(F)F	G92	[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone
+CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@H]4CCCNC4	G93	4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3s)-piperidin-3-ylmethoxy]-1h-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3 -yn-2-ol
+c1cc(sc1CCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	G94	n-({5-[3-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-l-glutamic acid
+c1ccc(cc1)[C@@H](CN)NC(=O)c2ccc(s2)c3ccnc4c3cc[nH]4	G95	n-[(1s)-2-amino-1-phenylethyl]-5-(1h-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
+CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@@H](Cc4ccccc4)N	G96	4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2r)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1h-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
+C=CC(=O)Nc1ccc2c(c1)nc(nc2Nc3cc[nH]n3)c4ccccc4	G97	n-[2-phenyl-4-(1h-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide
+CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)O[C@@H](CCN)c4ccccc4	G98	4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1s)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1h-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
+C(/C=C/C(=O)O)C(=O)O	G9A	(2e)-pent-2-enedioic acid
+CCC(=O)Nc1cccc(c1)n2c3ccccc3nc2c4c(ncc(n4)c5cnn(c5)C6CCN(CC6)C)N	G9B	n-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1h-pyrazol-4-yl]pyrazin-2-yl}-1h-benzimidazol-1-yl)phenyl]propanamide
+C[C@@H](c1ccccn1)NC(=O)c2cc3cccc(c3nc2)c4ccc(cc4)C(F)(F)F	G9C	n-[(1s)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
+c1cc2c3c(c1)[nH]cc3C(=NNC2=O)CN4CCOCC4	G9D	3-(morpholin-4-ylmethyl)-1,5-dihydro-6h-[1,2]diazepino[4,5,6-cd]indol-6-one
+COc1ccc2c(c1)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4N)OC(F)(F)F	G9E	[2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone
+CN(C)CCCOc1ccc(cc1)c2nc3cccc4c3n2CCNC4=O	G9F	2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one
+CN1CCN(CC1)c2ccc3c(n2)-c4ccccc4C(=O)N3	G9G	2-(4-methylpiperazin-1-yl)benzo[c][1,5]naphthyridin-6(5h)-one
+CN(C)Cc1nc2cccc3c2n1CCNC3=O	G9H	2-[(dimethylamino)methyl]-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one
+c1cc2c3c(c1)nc(n3CCNC2=O)CCc4ccc(cc4)CN5CCCC5	G9I	2-{2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one
+CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O	G9J	(2s)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2h-1-benzopyran-6-ol
+COc1cc(cc2c1OC=CO2)C(=O)c3c[nH]c(n3)c4c[nH]c5c4cccc5	G9K	[2-(1h-indol-3-yl)-1h-imidazol-4-yl](8-methoxy-1,4-benzodioxin-6-yl)methanone
+c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)C(=O)CCN4CCCCC4	G9L	8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2h)-one
+c1ccc2c(c1)-c3c(ccc(n3)NC(=O)CN4CCC(CC4)N5CCCC5)NC2=O	G9M	n-(6-oxo-5,6-dihydrobenzo[c][1,5]naphthyridin-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
+COc1ccc(cc1Cl)N([C@H](c2cccs2)C(=O)NCCc3ccccc3)C(=O)CCl	G9N	(2~{s})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{n}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide
+CCCCCCCCCCCCCC(=O)NO	G9O	n-oxidanyltetradecanamide
+c1cc2c3c(c1)Oc4ccc(cc4[C@H]3CNC2=O)S(=O)(=O)O	G9P	(11br)-3-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid
+CC(C)N1CCC(c2c1ccc(c2)C#Cc3ccc(cc3)C(=O)O)(C)C	G9Q	4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid
+CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=O)C	G9R	chlorophyll d isomer
+CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	G9S	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
+c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Br	G9U	(6r)-6-[(6-bromanyl-1h-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
+Cn1cnc2c1cc(cc2C3=CN(C(=O)c4c3cc[nH]4)CCC=C)C(=O)N5CCOCC5	G9V	6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1h-benzimidazol-4-yl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+Cc1cccc2c1C3=C(C[C@@H](OC3)C(C)C)NC2=O	G9W	(3r)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6h-pyrano[4,3-c]isoquinolin-6-one
+c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Cl	G9X	(6r)-6-[(6-chloranyl-1h-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
+C=CCCN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N4CCOCC4	G9Y	6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	G9Z	agropinic acid
+[Ga+3]	GA	gallium (iii) ion
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc2ccc3ccccc3c2)NC(=O)CN	GA0	glycylalanyl-n-2-naphthyl-l-prolineamide
+c1nc2c(n1COC(CO)CO)N=C(NC2=O)N	GA2	9-(1,3-dihydroxy-propoxymethane)guanine
+C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O	GA3	gibberellin a3
+C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O	GA4	gibberellin a4
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@@H](CC[C@@H]3O)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC	GA5	tert-butyl [(1r,4s)-4-hydroxy-7-{[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
+CS(=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O	GA6	3-[4-(methylsulfonylamino)phenyl]benzoic acid
+C[C@H](C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	GA7	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r)-1-{(2s,3s,4r,5s,6r)-6-[(1s)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl}propan-2-yl hydrogen (r)-phosphate (non-preferred name)
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@H](CCS3)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC	GA8	tert-butyl [(4s)-6-{[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-3,4-dihydro-2h-1-benzothiopyran-4-yl]carbamate
+c1cc2c(ccc3c2c(c1)C(OC3=O)(c4ccc(c(c4)Br)O)c5ccc(c(c5)Br)O)Cl	GA9	3,3-bis(3-bromo-4-hydroxyphenyl)-7-chloro-1h,3h-benzo[de]isochromen-1-one
+c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]	GAA	3-nitrophenyl alpha-d-galactopyranoside
+c1cc(cc(c1)N)C(=O)O	GAB	3-aminobenzoic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO	GAC	dihydro-acarbose
+C1[C@@H]([C@H](C=C(O1)C(=O)O)O)O	GAD	2,6-anhydro-3-deoxy-l-threo-hex-2-enonic acid
+[C@H]([C@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O	GAE	d-galactaric acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O	GAF	2-deoxy-2-fluoro-alpha-d-galactopyranose
+c1c(c(no1)O)C(=O)O	GAG	3-hydroxyisoxazole-4-carboxylic acid
+[H]/N=C(\N)/NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)[C@@H]2CCN2C(=O)[C@@H](CC3CCCCC3)NC(=O)C4CCC(CC4)CN/C(=N/[H])/N	GAH	n-{[(2s)-1-(n-{[4-({[amino(imino)methyl]amino}methyl)cyclohexyl]carbonyl}-3-cyclohexyl-l-alanyl)azetidin-2-yl]carbonyl}-l-tyrosyl-n~6~-[amino(imino)methyl]-l-lysinamide
+C(=N)(N)N	GAI	guanidine
+c1ccc2c(c1)C(=O)c3cc(ccc3O2)S(=O)(=O)N=C4NN=NN4	GAJ	n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide
+S1[Ga]S[Ga]1	GAK	[2ga-2s] cluster
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	GAL	beta-d-galactopyranose
+C[C@](CCC(=O)O)(C(=O)O)N	GAM	alpha-methyl-l-glutamic acid
+CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@H](C)[N@@]1CCC(=C[C@H](C1)Cc2ccccc2)[C@H](C)NC(=O)[C@H](C)N	GAN	2-[3-benzyl-5-(1-alanyl-aminoethyl)-2,3,6,7-tetrahydro-1h-azepin-1-yl]-1-oxopropyl-valinyl-valine-methylester
+c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	GAO	guanine arabinose-5'-phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)([O-])OC(=O)C[NH3+])O)O)N	GAP	glycyl-adenosine-5'-phosphate
+C(CCO)CC=O	GAQ	5-hydroxypentanal
+C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-]	GAR	glycinamide ribonucleotide
+c1ccc(cc1)C(c2ccccc2)NC(=NCC(=O)O)Nc3ccc(cc3)C#N	GAS	n-(p-cyanophenyl)-n'-diphenylmethyl-guanidine-acetic acid
+c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	GAT	4-aminophenyl alpha-d-galactopyranoside
+C(CC(=O)O)[C@@H](CO)N	GAU	(4s)-4-amino-5-hydroxypentanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O[P@@](=O)(O)OP(=O)(O)O)S)O)O)N=C(NC2=O)N	GAV	guanosine-5'-rp-alpha-thio-triphosphate
+Cc1ccccc1c2cc(ncc2N(C)C(=O)C(C)(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C	GAW	2-[3,5-bis(trifluoromethyl)phenyl]-~{n},2-dimethyl-~{n}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide
+c1ccnc(c1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4	GAX	1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea
+COc1ccc(cc1OC)C(=O)/C=S/C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GAZ	l-gamma-glutamyl-3-{(e)-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-lambda~4~-sulfanyl}-l-alanylglycine
+CP(=O)(O)O	GB	methylphosphonic acid ester group
+CCc1c(c2n3c1C=C4C(=C5C(=O)[C@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C	GB0	bacteriochlorophyll g'
+c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O	GB1	(2r,3r,4s)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
+c1ccc(cc1)[C@@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O	GB2	(2r,3r,4s)-2-({[(1s)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
+C[C@@H]1[C@@H]([C@@H]([C@H](N1)CN[C@@H](CO)c2ccccc2)O)O	GB3	(2r,3r,4s,5r)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol
+c1cc(c(cc1Cl)Cl)\C=C\C(=O)NO	GB4	(2e)-3-(2,4-dichlorophenyl)-n-hydroxyacrylamide
+c1cc(ccc1\C=C\C(=O)NO)Cl	GB5	(2e)-3-(4-chlorophenyl)-n-hydroxyacrylamide
+c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](C(=O)N2)O)O	GB6	(3r,4r,5r)-3,4-dihydroxy-5-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-2-one
+CN1[C@@H]([C@H]([C@H](C1=O)O)O)CN[C@@H](CO)c2ccccc2	GB7	(3r,4r,5r)-3,4-dihydroxy-5-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one
+c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N	GB8	(2r,3r,4s,5r)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9h-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
+c1cc(ccc1C(=O)Nc2ccc(nc2)Cl)F	GB9	n-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	GBA	8-bromoadenosine
+C1CC(C=C(C1)C(=O)O)N	GBC	gabaculine
+c1(c(nsn1)O)C(=O)O	GBD	4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid
+C1CN(CCN1CCCS(=O)(=O)O)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	GBE	3-{4-[2-(beta-d-glucopyranosyloxy)ethyl]piperazin-1-yl}propane-1-sulfonic acid
+CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C	GBF	bacteriochlorophyll g
+[H]/N=C(\CCl)/NCCCC[C@@H](C(=O)O)N	GBG	n~6~-[(1e)-2-chloroethanimidoyl]-l-lysine
+C1CN(CCN1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCS(=O)(=O)O	GBH	2-{4-[2-(beta-d-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid
+c1cc(cc(c1)I)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GBI	s-(3-iodobenzyl)glutathione
+CC1(C=Cc2c(ccc3c2OC[C@H](C3)c4ccc(cc4O)O)O1)C	GBJ	4-[(3r)-8,8-dimethyl-3,4-dihydro-2h,8h-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
+COc1ccccc1CN[C@H]2CCCN[C@H]2c3ccccc3	GBK	(2~{s},3~{s})-~{n}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine
+C1CC(=O)OC1	GBL	gamma-butyrolactone
+COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl	GBM	5-chloro-n-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide
+C1CCC(CC1)(CC(=O)O)CN	GBN	[1-(aminomethyl)cyclohexyl]acetic acid
+C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CC\C=C(/C)\CNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2	GBO	(2e,6e)-3,7-dimethyl-8-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate
+c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)Br	GBP	s-(n-hydroxy-n-bromophenylcarbamoyl)glutathione
+C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F	GBQ	5-[[(2~{r},3~{s})-2-[(1~{r})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)([C@@H](P(=O)(O)O)Br)O)O)N=C(NC2=O)N	GBR	5'-o-[(r)-{[(s)-[(r)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
+[H]/N=C(\N)/Nc1ccc(cc1)C(=O)O	GBS	4-carbamimidamidobenzoic acid
+Cc1c2c(cc(n1)N)OCC/C=C/CCCOc3cc(ccc3Cn4cc(cn4)C(=O)NC2)Cn5cccn5	GBT	(8e)-3-amino-1-methyl-15-[(1h-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6h,18h,23h-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one
+Cc1cccc(c1)[C@@H]2CN(CCc3c2cc(c(c3Cl)O)O)C	GBU	(1s)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
+c1cc(ccc1CC2=SC(=O)NC2=O)OCCNC(=O)CCCCC3CCSS3	GBV	n-(2-{4-[(2,4-dioxo-3,4-dihydro-2h-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3r)-1,2-dithiolan-3-yl]pentanamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCN4CCN(CC4)Cc5c(cc(cc5OC)C6=CN(C(=O)c7c6ccnc7)C)OC)O	GBW	(2~{s},4~{s})-1-[(2~{s})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H](C(=O)C4=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GBX	2-amino-4-[1-(carboxymethyl-carbamoyl)-2-(9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydro-benzo[def]chrysen-10-ylsulfanyl)-ethylcarbamoyl]-butyric acid
+c1ccc(cc1)N(CCNC(=O)c2ccc(nc2)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	GBZ	(2~{s})-2-[[(2~{s})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+C1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O	GC1	2,6-anhydro-l-gulonic acid
+CC(=O)N[C@H]1C[N@@]2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O	GC2	6-acetamido-6-deoxy-castanospermine
+C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OC(=N2)CO)O)O)O	GC3	(3ar,5r,6s,7r,7ar)-2,5-bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]oxazole-6,7-diol
+C1[C@@H]([C@H]([C@@H](OC1C(=O)O)O)O)O	GC4	4-deoxy-beta-d-glucopyranuronic acid
+c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N4CCC[C@H](C4)N)c5ccnc(n5)N	GC6	[(3r)-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone
+C(CCCN)CCCNC(N)N	GC7	1-guanidinium-7-aminoheptane
+c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)Cl	GC8	2-(2,4-dichlorophenoxy)-n-[4-(1-piperidinylmethyl)phenyl]acetamide
+C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@H]([C@@H](CO)O)O)C(=O)O	GC9	2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-l-altro-non-2-enonic acid
+CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2cc(cc(c2)C)C	GCA	6-(3',5'-dimethylbenzyl)-1-ethoxymethyl-5-isopropyluracil
+[C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O	GCB	(2s,3s,4s,5r)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid
+C[C@H]1CN(CCN1)C(=O)c2cn(c3c2ccc(c3)C#CC4(CCCCC4)O)c5ccnc(n5)N	GCC	[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3s)-3-methylpiperazin-1-yl]methanone
+C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O	GCD	4-deoxy-alpha-l-threo-hex-4-enopyranuronic acid
+CN(C(=O)N1[C@](SC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3)OC	GCE	(2~{s})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{n}-methoxy-~{n}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N	GCF	3-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid
+C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N	GCG	bis(gamma-glutamyl-cysteinyl-glycinyl)spermidine
+C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	GCH	glycocholic acid
+c1cc2c(c(c1)OCCNC(=[NH2+])N)NC3=NC(=O)N(C=C3O2)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	GCK	phosphoric acid 9-(2-guanidinoethoxy-3-(2-deoxy-beta-d-erythropentofuranosyl))-3h-pyrimido-[5,4-b][1,4]-benzooxazin-2-one]-5'-ester
+CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O	GCL	1-cyclohexyl-2-amino-3,4-dihydroxy-6-methylheptane
+CC(=O)CN	GCM	glycylmethylene group
+C1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N	GCN	2-amino-2,3-dideoxy-alpha-d-glucoyranose
+C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O	GCO	d-gluconic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N	GCP	phosphomethylphosphonic acid guanylate ester
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O)(F)F	GCQ	gemcitabine diphosphate
+CC1=O[Ga]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C	GCR	gallichrome
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O	GCS	2-amino-2-deoxy-beta-d-glucopyranose
+C1[C@@H]([C@H](CO[C@@H]1C(=O)O)O)O	GCT	2,6-anhydro-3-deoxy-l-xylo-hexonic acid
+[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O	GCU	alpha-d-glucopyranuronic acid
+CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O)O)O	GCV	4-o-methyl-alpha-d-glucopyranuronic acid
+CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O)O)O	GCW	4-o-methyl-beta-d-glucopyranuronic acid
+CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](C=CCCCCCCCCCCCCC)O	GCY	n-[(2s,3r)-1-(beta-d-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
+Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2	GCZ	n-[(3ar,6as)-hexahydrocyclopenta[c]pyrrol-2(1h)-ylcarbamoyl]-4-methylbenzenesulfonamide
+[Gd]	GD	gadolinium atom
+CCOCc1nc(c(n1CC(C)(C)O)c2ccccc2)I	GD0	1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol
+[H]/N=C\c1c[nH]c2c1C(=O)NC(=N2)N	GD1	2-amino-5-[(z)-iminomethyl]-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+[Gd+3]	GD3	gadolinium ion
+Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@H]4C(=O)NC(=O)S4)C	GD4	(5s)-5-[(4-{[(2r)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
+Cc1c(cnn1C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	GD5	5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-n-(5-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine
+C[C@H](C(C)(C)C)O[P@@H](=O)C	GD7	(1r)-1,2,2-trimethylpropyl (r)-methylphosphinate
+C[C@H](C(C)(C)C)O[P@H](=O)C	GD8	(1r)-1,2,2-trimethylpropyl (s)-methylphosphinate
+CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6	GD9	2-(1h-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N)O	GDA	4-amino-4-deoxy-beta-d-glucopyranose
+c1cc(c(cc1N(=O)=O)N(=O)=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GDB	1-(s-glutathionyl)-2,4-dinitrobenzene
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N	GDC	guanosine-5'-diphosphate-beta-l-galactose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N	GDD	guanosine-5'-diphosphate-alpha-d-mannose
+c1c(cc(c(c1O)O)O)C(=O)O	GDE	3,4,5-trihydroxybenzoic acid
+CCC1=C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)C[N@](C2)C1)(c5cc6c(cc5OC)N([C@H]7[C@]68CC[N@@]9C8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC	GDF	vinorelbine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=NC2=O)N	GDG	gdp-alpha-d-glucose
+Cc1ccnc(c1)COc2cccc(c2c3ccc4c(c3)CCNCC4)OC	GDH	7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1~{h}-3-benzazepine
+[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C@@H]3CCCCN3	GDI	(2s)-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]piperidine-2-carboxamide
+Cc1ccc(cc1)c2c(cccn2)OCc3ccccn3	GDK	2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O	GDL	2-(acetylamido)-2-deoxy-d-glucono-1,5-lactone
+C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)\C)OC)OC(=O)N)/C)C)O)OC	GDM	geldanamycin
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GDN	glutathione s-(2,4 dinitrobenzene)
+c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	GDO	3'-deoxy-guanosine 5'-monophosphate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N	GDP	guanosine-5'-diphosphate
+C1[C@@H]([C@H]([C@@H]([C@@H]2[C@H]1N2)O)O)CO	GDQ	(1~{s},2~{r},3~{r},4~{r},6~{s})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O	GDR	guanosine-5'-diphosphate-rhamnose
+C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GDS	oxidized glutathione disulfide
+CCCCCCC\C=C\C=C\C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)C=C[C@@H](NC1=O)C)O	GDT	(2e,4e)-n-[(2s,3r)-3-hydroxy-1-[[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O	GDU	galactose-uridine-5'-diphosphate
+CC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)C(=O)Nc3ccccc3	GDV	(5r,6r,7r,8s)-8-(acetylamino)-6,7-dihydroxy-5-(hydroxymethyl)-n-phenyl-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-carboxamide
+CCN(CC)CCn1c2c(c3c1-c4ccccc4C3=O)C(=O)CCC2	GDW	5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N	GDX	guanosine 5'-(trihydrogen diphosphate), p'-d-mannopyranosyl ester
+c1cc(sc1)CCOc2ccc(cc2)C=C3C(=O)NC(=O)S3	GDY	(5z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
+Cc1cn2cc(cc(c2n1)F)C3=CC(=O)N4C=C(C=CC4=N3)N5CCN(CC5)C	GDZ	2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
+CCCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	GE0	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate
+C1C[C@H]([C@H](O[C@@H]1CN)O)N	GE1	2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranose
+C1[C@H](CC(C[C@H]1N)O)N	GE2	3,5-diamino-cyclohexanol
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O)O	GE3	3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranose
+COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)/N=N/c4ccccc4)c5ccc(cc5)F)OC	GE5	3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-[(~{e})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
+C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)N)F	GE6	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+Cc1ccc(cc1)c2c3ccccc3nc(c2[C@@H](C(=O)O)OC(C)(C)C)C	GE7	(2s)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid
+CC(C)(C(=O)NCCCS)Oc1ccc(cc1)Cl	GE8	2-(4-chloranylphenoxy)-2-methyl-~{n}-(3-sulfanylpropyl)propanamide
+C1CN(CCN1CCC=O)CCC=O	GEB	3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal
+COc1cc(ccc1O)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)c4ccc(c(c4)OC)O	GEC	4-[(3s,3ar,6s,6ar)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol
+CCOC(=O)CN	GEE	ethyl glycinate
+COc1cc(ccc1O)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)c4ccc(c(c4)OC)O	GEF	4-[(3r,3as,6r,6as)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol
+C\C=C(/CCC(=O)O)\N	GEG	(4e)-4-aminohex-4-enoic acid
+CC(C)(C(=O)NCCS)Oc1ccc(cc1)Cl	GEH	2-(4-chloranylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+Cc1c(c(c(c(n1)C)[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)c3ccc(cc3)OCCc4ccc(cc4)F	GEI	(2s)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[S@+](CC[C@@H](C(=O)[O-])[NH3+])CC(=O)[O-])O)O)N	GEK	(2s)-4-[{[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate
+CCCCCCCCOCC(CO[P@](=O)(O)OCCN)O[P@](=O)(CCCCCCC)O	GEL	1-o-octyl-2-heptylphosphonyl-sn-glycero-3-phosphoethanolamine
+C(CS[C@@H](CC(=O)O)C(=O)O)NC(=N)N	GEM	(2-guanidinoethylmercapto)succinic acid
+c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O	GEN	genistein
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	GEO	gemcitabine
+C[N+]1(CCCCC1)CCc2ccc(cc2)NC(=O)CCCC(=O)O	GEP	n-methyl-n-(para-glutaramidophenyl-ethyl)-piperidinium ion
+c1ccc2c(c1)-c3ccccc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6	GEQ	5-{[4-(9h-fluoren-9-yl)piperazin-1-yl]carbonyl}-1h-indole
+C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	GER	geran-8-yl geran
+CC(C)C[C@@H](C(=O)N(C)N(C)C#N)NC(=O)c1cc(nn1C)C(C)(C)C	GES	3-tert-butyl-n-[(2s)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1h-pyrazole-5-carboxamide (non-preferred name)
+C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O	GET	geneticin
+Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3cccc(c3)Cl)C(=O)C4=C(NN(C4=O)C)C	GEU	3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{h}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione
+Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4	GEV	(5z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
+Cn1c(c(nc1/N=N/c2ccc(cc2)F)c3ccc(cc3)F)c4ccnc(c4)NC(=O)CCc5cc(ccc5OC)OC	GEW	3-(2,5-dimethoxyphenyl)-~{n}-[4-[5-(4-fluorophenyl)-2-[(~{e})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide
+CSc1ccccc1N2CCNCC2	GEX	1-(2-methylsulfanylphenyl)piperazine
+CCCCCCCCC/C=C\C(=O)O	GEY	(2z)-dodec-2-enoic acid
+Cc1c(n[nH]c1Nc2ccnc3c2cc(c(c3)OC)S(=O)(=O)C(C)(C)C)C	GEZ	6-~{tert}-butylsulfonyl-~{n}-(3,4-dimethyl-1~{h}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N=C(NC2=O)N	GF0	2'-deoxy-2'-fluoroguanosine
+C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O	GF1	(2s)-2-[(3ar,4r,7s,7as)-1,3-dioxooctahydro-2h-4,7-methanoisoindol-2-yl]propanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=C(NC2=O)N	GF2	2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)COC23CCNCC3	GF3	spiro[1h-2-benzofuran-3,4'-piperidine]
+CCC1=C(NN(C1=O)c2[nH]nnn2)C	GF4	4-ethyl-5-methyl-2-(1h-tetrazol-5-yl)-1,2-dihydro-3h-pyrazol-3-one
+C(CC(=O)N[C@@H](CSCCS(=O)(=O)F)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GF5	(2s)-2-azanyl-5-[[(2r)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+c1cc(cc(c1)NC(=O)N)C(F)(F)F	GF6	1-[3-(trifluoromethyl)phenyl]urea
+CC(=O)c1ccc(cc1)N2C[C@H](CC2=O)C(=O)O	GF7	(3s)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
+c1cc(c(cc1CC(=O)NCCS)Cl)Cl	GF8	2-(3,4-dichlorophenyl)-~{n}-(2-sulfanylethyl)ethanamide
+CCCC1=Nc2nc(nn2C(=O)C1)CNc3ccc(cc3)Cl	GF9	2-[[(4-chlorophenyl)amino]methyl]-5-propyl-6h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
+c1ccc(cc1)C(=O)c2cc(ccc2OCC(=O)Nc3ccccc3)Cl	GFA	2-[4-chloro-2-(phenylcarbonyl)phenoxy]-n-phenylacetamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O	GFB	guanosine-5'-diphosphate-beta-l-fucopyranose
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)([C@](F)(P(=O)(O)O)Cl)O)O)N=C(NC2=O)N	GFC	5'-o-[(s)-{[(s)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
+CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C	GFE	1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(C(F)(F)P(=O)(O)O)O)O)N=C(NC2=O)N	GFF	2'-deoxy-5'-o-[({[difluoro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]guanosine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)([C@H](F)P(=O)(O)O)O)O)N=C(NC2=O)N	GFH	2'-deoxy-5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+Cc1nc2c(cc(cc2n1c3ccnc4c3c(ccc4F)F)c5ccnc(c5F)N)c6[nH]cnn6	GFJ	4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4h-1,2,4-triazol-3-yl)-1h-benzimidazol-6-yl]-3-fluoropyridin-2-amine
+COc1ccc2c(c1)sc(n2)c3nc(on3)C4CCN(CC4)C(=O)CCC(F)(F)F	GFK	4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
+c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=C(NC2=O)N	GFL	2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one
+C[C@](F)([P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O	GFM	2'-deoxy-5'-o-[(s)-{[(s)-[(1r)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+C[C@H]1CN(CCN1)c2c(cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4)F	GFN	1-cyclopropyl-6-fluoro-8-methoxy-7-[(3s)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+CC(C)(C)c1ccc(cc1)c2nc3n(n2)C(=O)CC(=N3)CNc4ccc5ccccc5n4	GFO	2-(4-tert-butylphenyl)-5-[(quinolin-2-ylamino)methyl]-6h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)F)O)O)O	GFP	2-deoxy-2-fluoro-1-o-phosphono-alpha-d-glucopyranose
+CC(C)CCCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	GFQ	4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+COc1cc(ccc1O)C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(c(c3)OC)O	GFR	4-[[(3s,4s,5r)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol
+C[P@](=O)(OC[C@@H](C(=O)O)N)OC1CCCCC1	GFT	(2s)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid
+COc1cc(ccc1O)C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(c(c3)OC)O	GFU	4-[[(3r,4r,5s)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol
+C[C@@H](c1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3)O	GFV	hydroxy pioglitazone (m-iv)
+CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C	GFW	ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
+CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)Nc5ccccc5	GFZ	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{h}-chromene-2,4'-piperidine]-6-yl)-~{n}-phenyl-benzamide
+C(C(=O)NCC(=O)O)N	GG0	2-(2-azanylethanoylamino)ethanoic acid
+CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4	GG1	4-{[1-methyl-2,4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1,4-dihydroquinazolin-3(2h)-yl]methyl}benzoic acid
+COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O	GG2	1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxamide
+C[N@](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O	GG3	{1-hydroxy-3-[methyl(4-phenylbutyl)amino]propane-1,1-diyl}bis(phosphonic acid)
+CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5C=C(C=N5)[N+](=O)[O-]	GG4	(2s,3as,7as)-1-[(2s)-2-{[(2s)-2-cyclohexyl-2-({[(2r)-4-nitro-2h-pyrrol-2-yl]carbonyl}amino)acetyl]amino}-3,3-dimethylbutanoyl]-n-{(1s)-1-[(1r)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl}octahydro-1h-indole-2-carboxamide
+c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F	GG5	4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridine
+C[C@@H]([C@@H](O)P(=O)(O)O)O	GG6	[(1s,2s)-1,2-dihydroxypropyl]phosphonic acid
+C[C@H](N)P(=O)(O)O	GG7	[(1r)-1-aminoethyl]phosphonic acid
+c1ccc(cc1)S(=O)(=O)NCCC(F)(F)F	GG8	~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
+C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](C(F)F)(C(=O)O)OP(=O)(O)O	GG9	(3r,4s,5r)-5-[(1r)-1-carboxy-2,2-difluoro-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
+C[C@H](C(=O)NC[P@@](=O)(CCCCNCCCCN)OP(=O)(O)O)NC(=O)CC[C@H](C(=O)O)N	GGA	d-gamma-glutamyl-n-{[(r)-{4-[(4-aminobutyl)amino]butyl}(phosphonooxy)phosphoryl]methyl}-d-alaninamide
+[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N	GGB	l-canavanine
+c1ccc2c(c1)cccc2CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GGC	1-menaphthyl glutathione conjugate
+CCCCCCCCC=CCCCCCCCCC(=O)OC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC	GGD	nonadec-10-enoic acid 2-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy] -1-octadec-9-enoyloxymethyl-ethyl ester
+COc1ccccc1O[C@H](CO)[C@H](c2ccc(c(c2)OC)O)O	GGE	(1s,2r)-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6N=C(NC7=O)N)O)F)N=C(NC2=O)N	GGF	2-azanyl-9-[(1~{r},6~{r},8~{r},9~{r},10~{r},15~{r},17~{r},18~{r})-17-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{h}-purin-6-one
+C(C(=O)NCC(=O)NCC(=O)O)N	GGG	glycylglycylglycine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)N=C(NC2=O)N	GGH	2'-deoxy-5'-o-(hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)guanosine
+COc1ccc(cc1)c2c(c([nH]n2)N)c3cccc(c3)c4cccc(c4)N	GGJ	4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1h-pyrazol-5-amine
+CS(=O)(=O)NCC#Cc1ccc(cc1)S(=O)(=O)NCCC(F)(F)F	GGK	4-[3-(methylsulfonylamino)prop-1-ynyl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
+C(CC(=O)O)[C@@H](C(=O)O)N	GGL	gamma-l-glutamic acid
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)O[P@](=O)(NP(=O)(O)O)O	GGM	3'-o-(n-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate
+CCCc1cc(ccn1)c2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F	GGN	4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+c1cc2c(cc1CCN3C[C@@H]([C@H](CC3=O)c4cc(c(cc4F)F)F)N)OCO2	GGO	(4r,5r)-5-amino-1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
+c1c(cc(c(c1O)O)O)C(=O)OC[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5)O)O)O)OC(=O)c6cc(c(c(c6)O)O)O	GGP	beta-1,2,3,4,6-penta-o-galloyl-d-glucopyranose
+CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C	GGS	phosphonooxy-[(10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid
+Cc1cc2c(c(c3c(c2OC)[C@H](C[C@@H](C3=O)O)O[C@H]4C[C@@]([C@@H]([C@@H](O4)C)OC(=O)C)(C)O)O)c5c1[C@H]6[C@H]7[C@@](O5)([C@@]8(CO8)[C@@](O6)(O7)C(OC)OC)O[C@H]9C[C@H]([C@]([C@@H](O9)C)(C(=O)C)O)O	GGT	trioxacarcin a
+CC(C)(C)[C@@H](C(=O)N[C@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)N4C=CN(C4=O)Cc5cccc(n5)C(C)(C)O)O)NC(=O)OC	GGV	methyl [(1s)-1-{[(1r,3s,4s)-3-hydroxy-4-{[(2s)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1h-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC	GGW	methyl [(1s,4s,5s,7s,10s)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate
+Cc1cccc(n1)CN2C=CN(C2=O)[C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](C[C@@H](Cc4ccc(cc4)c5ccccn5)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)C(C)(C)C	GGX	methyl [(1s)-1-{[(1r,3s,4s)-4-{[(2s)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1h-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
+C[C@H](/C=C\C(F)(F)F)Oc1cc(ccc1C(=O)N)c2cc(cnc2N)c3cc(cs3)CN(C)C	GGY	4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{[(1r,2z)-4,4,4-trifluoro-1-methylbut-2-en-1-yl]oxy}benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)O[P@@](=O)(O4)O)N	GGZ	(2s,3ar,4r,6r,6ar)-4-(6-amino-9h-purin-9-yl)-6-({[(r)-hydroxy(sulfooxy)phosphoryl]oxy}methyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide
+COc1cccc(c1)C(=O)COc2ccc(cc2)CC3C(=O)NC(=O)S3	GH1	(5s)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
+CCOC(=O)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	GH2	ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
+c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	GH3	3'-deoxy-guanosine-5'-triphosphate
+[H]/N=C/c1ncc(c(n1)N(CCOc2ccccc2)Cc3ccc4c(c3)OCO4)F	GH4	4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile
+c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F	GH5	4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
+C1CO[C@@H]2[C@H]1[C@H](NO2)C(=O)O	GH7	(3s,3ar,6as)-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid
+CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5	GH8	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{h}-chromene-2,4'-piperidine]-6-yl)-~{n}-(phenylmethyl)benzamide
+C1C([C@@H]([C@H]([N@@]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O	GHA	1'-((1,4-dideoxy-1,4-imino-d-arabinitol)-4-n-ammonium)-1'-deoxy-l-erythritol-3'-sulfate inner salt
+CC(C)Cc1cn(nn1)c2ccc(cc2)C(=O)NCCC(F)(F)F	GHB	4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+CCc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	GHC	n-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-l-glutamic acid
+C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O	GHE	(2r)-1-[6-[(2r)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid
+C([C@@H](C(=O)O)N)[C@@H](C(=O)N)O	GHG	(2s,4s)-2,5-diamino-4-hydroxy-5-oxopentanoic acid (non-preferred name)
+C[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CSC)NC(=O)[C@H]1[C@H]2CCO[C@H]2ON1)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C	GHJ	(3r,3ar,6as)-n-[(4r,7s,8s,10r,13s)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide
+c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)N	GHK	4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide
+c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O	GHM	benzene-1,2,4-tricarboxylic acid
+CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F	GHN	ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
+c1cc(ccc1[C@H](C(=O)O)N)O	GHP	(2r)-amino(4-hydroxyphenyl)ethanoic acid
+c1ccc(cc1)C(=O)NCCC(F)(F)F	GHQ	~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+c1cc(ccc1NC(=O)O/N=C\2/[C@@H]([C@H]([C@@H]([C@H](N2)CO)O)O)O)Cl	GHR	[[(3s,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino] n-(4-chlorophenyl)carbamate
+[H]/N=C(\N)/NCCCCCC(=O)O	GHS	6-carbamimidamidohexanoic acid
+CN1CCc2cc(c(c3c2c1cc4c3cc(c(c4)O)OC)OC)O	GHT	boldine
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)OCC	GHU	ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate
+CN(C)c1ccc(cc1)/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO	GHV	(2s)-2-[[(e)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-n-[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide
+Cc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	GHW	n-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-l-glutamic acid
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3	GHX	(phenylmethyl) n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
+CC(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	GHY	propan-2-yl n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
+CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	GHZ	2-methylpropyl n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
+CO[C@@H](c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)O	GI1	methoxycarbonyl-substituted glucoimidazole
+COC(=O)Cc1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	GI2	methyl acetate-substituted glucoimidazole
+c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C(=O)O	GI3	carboxylate-substituted glucoimidazole
+c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)CC(=O)O	GI4	methyl acetic acid-substituted glucoimidazole
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)N	GI6	(2r)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)COC)C#N)C(C)C)C#N)N	GI8	(4~{s})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile
+c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3cccc(c3)F)C(=O)O	GIA	3-fluoro-n-(naphthalen-2-ylcarbonyl)-d-phenylalanine
+c1ccc2c(c1)c(c[nH]2)CC(=O)N(CCN)CC(=O)O	GIC	n-(2-aminoethyl)-n-(1h-indol-3-ylacetyl)glycine
+C1[C@@H]([C@@H]([C@@H](CN1)O)O)CO	GIF	d-galacto-isofagomine
+COC(=O)Nc1[nH]c2ccc(cc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	GIG	methyl (5-{4-[({[2-fluoro-5-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-1h-benzimidazol-2-yl)carbamate
+[H]/N=C(\c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccc(cc3C(=O)O)C(=O)NCC(C)C)F)N(C(C)C)C(C)C)F)/N	GIL	2-{[6-{3-[amino(imino)methyl]phenoxy}-4-(diisopropylamino)-3,5-difluoropyridin-2-yl]oxy}-5-[(isobutylamino)carbonyl]ben zoic acid
+c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	GIM	glucoimidazole
+CCCc1ccc(cc1C(F)(F)F)NC(=O)c2ccccc2NCC3=CNC(=O)C=C3	GIN	2-{[(6-oxo-1,6-dihydropyridin-3-yl)methyl]amino}-n-[4-propyl-3-(trifluoromethyl)phenyl]benzamide
+C1C[C@H]2C(=O)NCC(=O)N2C1	GIO	cyclo-(glycine-l-proline) inhibitor
+c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)I	GIP	s-(n-hydroxy-n-iodophenylcarbamoyl)glutathione
+Cn1c2ccc3c(c2nc1N)cccn3	GIQ	3-methyl-3h-imidazo[4,5-f]quinolin-2-amine
+c1c([nH]c(n1)N)[C@@H]([C@H](CN)Cl)O	GIR	girodazole
+CCOC(=O)[C@H](c1ccc(cc1C(=O)O)NC(=N)N)Cl	GIS	ethyl-(2-carboxy-4-guanidinium-phenyl)-chloroacetate
+CC(=O)Cn1c(c(nn1)c2ccccc2)COC(=O)NCc3ccccc3	GIT	[1-(2-oxopropyl)-4-phenyl-1h-1,2,3-triazol-5-yl]methyl benzylcarbamate
+C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O	GIV	beta-l-galactopyranose
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Ga+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C	GIX	protoporphyrin ix containing ga
+Cc1cc(ccc1OCc2cccc(n2)CO)OC	GJ1	{6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol
+c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)NCCC(F)(F)F	GJ2	4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
+CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	GJ5	4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+CCC(=O)N1C[C@@H]2C[C@H]1CN2c3ccc(c(n3)Oc4ccc(cc4)Oc5ccccc5)C(=O)N	GJ7	2-(4-phenoxyphenoxy)-6-[(1s,4s)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
+c1ccc(cc1)S(=O)(=O)NCc2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F	GJ8	4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+C=CC(=O)N[C@H]1CCN(C1)c2ccc(c(n2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N	GJA	6-[(3s)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
+c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O	GJB	1-(2-phenylethyl)pyrimidine-2,4,6(1h,3h,5h)-trione
+CCC(=O)N[C@H]1CCN(C1)c2ncc(c(n2)N)C(=O)N	GJD	4-amino-2-[(3s)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
+c1cc(ccc1C(=O)NCCC(F)(F)F)N=[N+]=[N-]	GJE	4-azido-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+c1cc(ncc1C(=O)N)NC2CCCCC2	GJG	6-(cyclohexylamino)pyridine-3-carboxamide
+CC(C)(C)NC(=O)c1ccc(cc1)Nc2c(ccc(n2)N3CC[C@@H](C3)NC(=O)C=C)C(=O)N	GJJ	6-[(3s)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide
+CC(=O)/C=C/c1ccc(c(c1)OC)O	GJK	(~{e})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
+Cc1c(ccc(c1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C	GJL	4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{h}-pyrazol-3-one
+CC(=O)Nc1cccc(c1)c2ccc(c3c2cc([nH]3)C(=O)NS(=O)(=O)c4ccc(cc4)OC)[N+](=O)[O-]	GJO	4-(3-acetamidophenyl)-n-(4-methoxyphenyl)sulfonyl-7-nitro-1h-indole-2-carboxamide
+c1ccc2c(c1)c(c(cn2)C(=O)O)O	GJP	4-hydroxyquinoline-3-carboxylic acid
+c1cc(ccc1[C@@H]2N=C(N=C(N2c3ccc(c(c3)Cl)Cl)N)N)[N+](=O)[O-]	GJQ	(2~{r})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{h}-1,3,5-triazine-4,6-diamine
+c1cnc(cc1OCC(F)F)Cn2cnc3c2nc(nc3N)Cl	GJR	9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine
+c1cc(c(cc1O)C(=O)O)C(=O)O	GJS	4-hydroxybenzene-1,2-dicarboxylic acid
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CO)C(=O)O	GJT	(3~{r},4~{r},5~{s})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid
+C[C@@H](c1cc(ccn1)OCC(F)F)n2cnc3c2nc(nc3N)Cl	GJU	9-[(1~{s})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCCNC(=[NH2+])N)O)O)N	GJV	9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-d-ribo-heptofuranosyl)-9h-purin-6-amine
+c1cc2n(c1)-c3ccc(cc3NC2=O)CN4CCCC4	GJW	7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5h)-one
+CC/C=C\C/C=C\C/C=C\CCCCCCCC[P@](=O)(OC)F	GJY	methyl-9z,12z,15z-octadecatrienylphosphonofluoridate
+c1ccc(cc1)[C@@H]2C[C@H]2N	GJZ	(1r,2s)-2-phenylcyclopropanamine
+c1c(cc(c(c1O)O)O)/C=N/NC(=O)c2cc(c(c(c2)O)O)O	GK0	3,4,5-tris(oxidanyl)-~{n}-[(~{e})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide
+Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4csc(n4)C=O)O	GK1	4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde
+B([C@@H]1CCCN1C(=O)[C@@H](C(C)C)N)(O)O	GK2	[(2~{r})-1-[(2~{r})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid
+Cc1ccc(cc1c2ccc(cc2)C(=O)Nc3cccc(c3)C#N)c4nnc(o4)C	GK3	n-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
+Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C	GK4	n-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
+Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CC4	GK5	n~3~-cyclopropyl-n~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
+Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)NC(=O)c4ccnc(c4)N5CCOCC5	GK6	n-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)C(=O)NS(=O)(=O)C6(CC6)C	GK7	methyl [(2s)-1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate
+c1c([nH]cn1)C[C@@H](CO[As](O)(O)O)N	GK8	{[(2s)-2-amino-3-(1h-imidazol-5-yl)propyl]oxy}(trihydroxy)-lambda~5~-arsanyl
+COc1ccc2c(c1)CCCN2c3c4c(cco4)nc(n3)Cl	GK9	1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C(C)(C)C)NC(=O)C)C(=O)NS(=O)(=O)C6(CC6)C	GKA	(2r,6s,12z,13as,14ar,16as)-6-[(n-acetyl-3-methyl-l-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-n-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5h)-carboxamide
+Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3ccc4c(c3)C[C@@H](C4)Nc5cncnc5)C(F)(F)F	GKB	(2~{r})-~{n}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{h}-indene-5-carboxamide
+C1CCC(CC1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	GKC	(2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(2~{r},3~{s},4~{r},5~{r},6~{r})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H](C(=O)[C@@H](O4)CO)O)O)O)O)N=C(NC2=O)N	GKD	guanosine 5'-diphosphate-4-keto-beta-l-gulose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N	GKE	guanosine 5'-diphosphate-beta-l-gulose
+c1cc(c2c(c1)c(n[nH]2)I)C=O	GKF	3-iodanyl-1~{h}-indazole-7-carbaldehyde
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C	GKG	1,1,1-trifluoro-2-methylpropan-2-yl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate
+c1cc2c(cc1O)sc(n2)/C=C/c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	GKH	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[[2-[(~{e})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate
+CCCCCOC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C	GKJ	pentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate
+C[N@]1CC[C@@H](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)Cl)C#N	GKK	2-chloro-4-{[(3s)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile
+CC(C)C[C@@H]([C@H](CN[C@@H](C(C)C)C(=O)O)O)N	GKL	n-[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-valine
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCCC6)C)C(=O)NS(=O)(=O)C7(CC7)C	GKM	1-methylcyclopentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O	GKN	3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid
+c1c(cc(c(c1)O)O)/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c2cc(c(cc2)O)O)C(=O)O	GKP	(2r,3r)-2,3-bis{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
+c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4CCCC4	GKQ	~{n}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
+[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O	GKR	d-glucarate
+C1[C@@H](O[C@@H]([C@H]1O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2=C(C(=O)NC(=N2)N)NC=O	GKS	1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-d-ribo-hexitol
+Cc1ccc(cc1I)C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4	GKT	3-iodanyl-4-methyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide
+C[C@H](Cc1ccc(cc1)O)NC	GKU	4-[(2r)-2-(methylamino)propyl]phenol
+COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO	GKW	1-[(4-methoxyphenyl)methyl]-~{n}-oxidanyl-indole-6-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCC2CCCCC2	GKX	(2~{s})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid
+CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC	GKY	n-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-n-propylpropan-1-amine
+Cc1c(c([nH]n1)c2ccc(cc2O)OCC[NH+]3CCC(CC3)C(=O)N)c4ccc(cc4)Cl	GKZ	1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{h}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide
+C([C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O	GL0	beta-d-gulopyranose
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O	GL1	1-o-phosphono-alpha-d-galactopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)N)O)O)O)O	GL2	(5s,7r,8s,9s,10r)-3-amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
+C(C(=O)S)N	GL3	thioglycin
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=S)N2)O)O)O)O	GL4	(5s,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)O)O)O)O)O	GL5	(5s,7r,8s,9s,10r)-3,8,9,10-tetrahydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
+COP(=O)(N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC	GL6	n-(dimethoxyphosphoryl)-beta-d-glucopyranosylamine
+CN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O	GL7	8,9,10-trihydroxy-7-hydroxymethyl-3-methyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione
+COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N+](=C2)CCCCCCCCN5C(=O)c6ccccc6C5=O)C=C[C@@H](C4)O	GL8	galanthamine derivative
+CC(=O)NN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O	GL9	n-[(5s,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	GLA	alpha-d-galactopyranose
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	GLB	beta-d-galactose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	GLC	alpha-d-glucopyranose
+C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)O)O	GLD	4,6-dideoxy-alpha-d-xylo-hexopyranose
+CCCCCCCCCCOCC(COCC(F)(F)F)O[P@@](=O)(O)OC	GLE	1-decyl-3-trifluoro ethyl-sn-glycero-2-phosphomethanol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)O	GLF	alpha-d-glucopyranosyl fluoride
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C(=O)N)O)O)O)O	GLG	alpha-d-glucopyranosyl-2-carboxylic acid amide
+C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)CC[C@@H](C(=O)O)N	GLH	n-5-cyclohexyl-n-5-[(cyclohexylamino)carbonyl]glutamine
+CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)CC[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O	GLI	ala-ala-phe-psi((s)-choh-ch2)-gly-val-val-ome
+C(CC(O)O)[C@@H](C(=O)O)N	GLJ	5,5-dihydroxy-l-norvaline
+C(CC(=O)O)[C@@H](C(O)O)N	GLK	(4s)-4-amino-5,5-dihydroxypentanoic acid
+C12C(NC(=O)N1)NC(=O)N2	GLL	glycoluril
+CC(=O)CN	GLM	1-amino-propan-2-one
+C(CC(=O)N)[C@@H](C(=O)O)N	GLN	glutamine
+C(CC(=O)N)[C@@H](C(=O)[O-])[NH-]	GLN_LEO2	l-glutamine c-terminal deprotonated fragment
+C(CC(=O)N)[C@@H](C(=O)O)[NH-]	GLN_LEO2H	l-glutamine c-terminal protonated fragment
+C(CC(=O)N)[C@@H](C(=O)O)N	GLN_LFOH	l-glutamine free neutral
+C(CC(=O)N)[C@@H](C(=O)[O-])[NH3+]	GLN_LFZW	l-glutamine free zwitterion
+C(CC(=O)N)[C@@H]([C-]=O)[NH-]	GLN_LL	l-glutamine - linking embedded fragment
+C(CC(=O)N)[C@@H]([C-]=O)[NH3+]	GLN_LSN3	l-glutamine n-terminal protonated fragment
+C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O	GLO	d-glucose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O	GLP	2-amino-2-deoxy-6-o-phosphono-alpha-d-glucopyranose
+C(CC(=O)O)C(C=O)N	GLQ	4-amino-5-oxo-pentanoic acid
+C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-]	GLR	2,3-dihydroxy-5-oxo-hexanedioate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)O)O	GLS	beta-d-glucopyranose spirohydantoin
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)O)O)O)O)O	GLT	5-thio-alpha-d-glucopyranose
+C(CC(=O)O)[C@@H](C(=O)O)N	GLU	glutamic acid
+C(CC(=O)O)[C@@H](C(=O)[O-])[NH-]	GLU_LEO2	l-glutamic acid c-terminal deprotonated fragment
+C(CC(=O)O)[C@@H](C(=O)O)[NH-]	GLU_LEO2H	l-glutamic acid c-terminal protonated fragment
+C(CC(=O)[O-])[C@@H](C(=O)O)[NH-]	GLU_LEO2H_DHE2	l-glutamic acid-c-terminal protonated fragment/with side chain deprotonated oe2
+C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH-]	GLU_LEO2_DHE2	l-glutamic acid-c-terminal deprotonated fragment/with side chain deprotonated oe2
+C(CC(=O)O)[C@@H](C(=O)O)N	GLU_LFOH	l-glutamic acid free neutral
+C(CC(=O)[O-])[C@@H](C(=O)O)N	GLU_LFOH_DHE2	l-glutamic acid-free neutral/with side chain deprotonated oe2
+C(CC(=O)O)[C@@H](C(=O)[O-])[NH3+]	GLU_LFZW	l-glutamic acid free zwitterion
+C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH3+]	GLU_LFZW_DHE2	l-glutamic acid-free zwitterion/with side chain deprotonated oe2
+C(CC(=O)O)[C@@H]([C-]=O)[NH-]	GLU_LL	l-glutamic acid - linking embedded fragment
+C(CC(=O)[O-])[C@@H]([C-]=O)[NH-]	GLU_LL_DHE2	l-glutamic acid-linking embedded fragment/with side chain deprotonated oe2
+C(CC(=O)O)[C@@H]([C-]=O)[NH3+]	GLU_LSN3	l-glutamic acid n-terminal protonated fragment
+C(CC(=O)[O-])[C@@H]([C-]=O)[NH3+]	GLU_LSN3_DHE2	l-glutamic acid-n-terminal protonated fragment/with side chain deprotonated oe2
+C(=O)C(=O)O	GLV	glyoxylic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	GLW	6-deoxyglucose
+*=C(*)CC[C@@H](C(=O)O)N	GLX	glu/gln ambiguous
+C(C(=O)O)N	GLY	glycine
+C(C(=O)[O-])[NH-]	GLY_LEO2	l-glycine c-terminal deprotonated fragment
+C(C(=O)O)[NH-]	GLY_LEO2H	l-glycine c-terminal protonated fragment
+C(C(=O)O)N	GLY_LFOH	l-glycine free neutral
+C(C(=O)[O-])[NH3+]	GLY_LFZW	l-glycine free zwitterion
+C([C-]=O)[NH-]	GLY_LL	l-glycine - linking embedded fragment
+C([C-]=O)[NH3+]	GLY_LSN3	l-glycine n-terminal protonated fragment
+C(C=O)N	GLZ	amino-acetaldehyde
+C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O	GM0	4-o-phosphono-l-glycero-alpha-d-manno-heptopyranose
+C(C(=O)N)N	GM1	aminomethylamide
+CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](CCCCCCCCCCCCCCCC)O	GM2	n-[(1s,2s)-2-hydroxy-1-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)octadecyl]octadecanamide
+CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCCCCC)O	GM3	n-{1-[(hexopyranosyloxy)methyl]-2-hydroxynonadecyl}tetracosanamide
+C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(CCN2CC=C(C)C)C)O	GM4	(2s,6s,11s)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
+c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO	GM5	~{n}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NC	GM6	3-(n-hydroxycarboxamido)-2-isobutylpropanoyl-trp-methylamide
+c1cc(c(cc1N)C(=O)O)C(=O)O	GM7	4-aminobenzene-1,2-dicarboxylic acid
+CC[C@@H]([C@@H]1CCCC[C@@H]1N)C(=O)O	GM8	(2s)-2-[(1s,2s)-2-aminocyclohexyl]butanoic acid
+CC(C)(C)c1ccc(cc1)CN(Cc2cccc(c2)OCC(=O)O)S(=O)(=O)c3cccnc3	GM9	2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid
+C(CC(=O)O)[C@@H](C(=O)N)N	GMA	4-amido-4-carbamoyl-butyric acid
+C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O	GMB	1,7-di-o-phosphono-l-glycero-beta-d-manno-heptopyranose
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O	GMC	(2r,3r,4s,5s)-4-amino-2-[6-(dimethylamino)-9h-purin-9-yl]-5-(hydroxymethyl)tetrahydro-3-furanol
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCCCO	GMD	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol
+COC(=O)CC[C@@H](C(=O)O)N	GME	5-o-methyl-glutamic acid
+[H]/N=C(\N)/N[C@H](c1ccncc1)c2cccc(c2)c3cccc(c3)OC	GMF	2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine
+c1ccc2cc(ccc2c1)c3cc4c(c[nH]c4nc3)c5ccc(cc5)CC(=O)O	GMG	[4-(5-naphthalen-2-yl-1h-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid
+C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O	GMH	l-glycero-alpha-d-manno-heptopyranose
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(CP(=O)(O)O)O	GMI	[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid
+c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F	GMJ	4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
+COc1cccc(c1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4cccc(c4)OC)OS(=O)(=O)O)CO)O	GMK	(3-deoxy-3-(3-methoxy-benzamido)-b-d-galactopyranosyl)-(3-deoxy-3-(3-methoxy-benzamido)-2-o-sulfo-b-d-galactopyranosyl)-sulfide
+CCCCCCCCCCCCCCCCCC\C=C/CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	GMM	glucose monomycolate
+CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC	GMN	2,2',2"-[1,2,3-benzene-triyltris(oxy)]tris[n,n,n-triethylethanaminium]
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)N1CC(=O)O)N)O	GMO	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N	GMP	guanosine
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc(c3CO)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C(=O)N6CCOCC6)C	GMQ	6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one
+CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C	GMR	3-ethyl-4-methyl-n-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1h-pyrrole-1-car boxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)[SeH])O)N=C(NC2=O)N	GMS	2'-deoxyguanosine-5'-monoselenophosphate
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H](CC(=O)O)C(=O)O)CO)O)O	GMT	(2s)-2-{[2-acetamido-2-deoxy-alpha-d-glucopyranosyl]oxy}butanedioic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCNC(N)N	GMU	2'-o-[(2-guanidinium)ethyl]-5-methyluridine 5'-monophosphate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N=C(NC2=O)N	GMV	guanosine-5'-phosphovanadate
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc4c3C[C@@H](CC5=C4C=C(C(=O)N5C)Nc6ccc(cn6)C(=O)N7CCOCC7)O	GMW	(9~{s})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one
+C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O)OP(=O)(O)O	GMX	2-amino-9-(6-deoxy-5-o-phosphono-beta-d-allofuranosyl)-3,9-dihydro-6h-purin-6-one
+C[C@@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC	GMY	geldanamycin
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O	GMZ	1,7-di-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl	GN0	(2~{r})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O	GN1	2-acetamido-2-deoxy-1-o-phosphono-alpha-d-glucopyranose
+c1ccc(c(c1)SC2=C(C[C@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl	GN2	(2~{s})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(NP(=O)(O)O)O)O)N=C(NC2=O)N	GN3	[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)O	GN4	2-acetamido-2-deoxy-4-o-phosphono-beta-d-glucopyranose
+CC(C)(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2	GN5	2-(4-tert-butylphenyl)-1h,2h,3h,4h-pyrido(2,3-d)pyrimidin-4-one
+c1cc(c(c(c1)Cl)Cl)c2cccc3n2nc(n3)N	GN6	5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)NC(=N2)N	GN7	n7-2'-deoxy-guanosine-5'-monophosphate
+c1ccc(cc1)CN2C(=O)/C(=C/c3cccc(c3O)[N+](=O)[O-])/SC2=S	GN8	(z)-3-benzyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one
+CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CCC(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C	GN9	gallinamide a, bound form
+CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)NC(=N)N	GNA	2,4-deoxy-4-guanidino-5-n-acetyl-neuraminic acid
+c1cc(ccc1COC(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	GNB	s-p-nitrobenzyloxycarbonylglutathione
+CN[C@@H](CCC(=O)N)C(=O)O	GNC	n~2~-methyl-l-glutamine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH3+]	GND	2-amino-5-guanidino-pentanoic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NC=CN4C2=O	GNE	1,n2-ethenoguanine
+COc1ccc(cc1)NCCNC(=O)[C@H](CC2CCCCC2)Nc3nc4ccccc4o3	GNF	n~2~-1,3-benzoxazol-2-yl-3-cyclohexyl-n-{2-[(4-methoxyphenyl)amino]ethyl}-l-alaninamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N	GNG	2'-deoxy-guanosine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=C(NC2=O)N	GNH	aminophosphonic acid-guanylate ester
+c1ccc(cc1)c2c(c(no2)c3cccc(c3)CC(=O)O)C(=O)NCCOc4ccc(cc4Cl)Cl	GNI	(3-{4-[2-(2,4-dichloro-phenoxy)-ethylcarbamoyl]-5-phenyl-isoxazol-3-yl}-phenyl)-acetic acid
+c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O	GNJ	4-hydroxy-8-sulfoquinoline-3-carboxylic acid
+c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)Cl	GNK	(1~{s},5~{r})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
+CC1=N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O	GNL	(3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O	GNM	8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(cc(c1)OCC(=O)O)CN(Cc2ccc(cc2)n3cccn3)S(=O)(=O)c4cccnc4	GNO	2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N	GNP	phosphoaminophosphonic acid-guanylate ester
+C[C@@H](CNc1ccc(cc1)OC(F)(F)F)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2)NC(=O)N3CCOCC3	GNQ	n-[(1r)-1-[(benzylsulfonyl)methyl]-2-{[(1s)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide
+c1ccc2c(c1)NC(=O)[C@H](S2)CC(=O)NO	GNR	2-(3,4-dihydro-3-oxo-2h-benzo[b][1,4]thiazin-2-yl)-n-hydroxyacetamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)O	GNS	2-deoxy-2-(sulfoamino)-alpha-d-glucopyranose
+C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O	GNT	(-)-galanthamine
+COc1cc(ccc1O)C[C@H](CO)[C@H](Cc2ccc(c(c2)OC)O)CO	GNU	(2s,3s)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol
+c1cc2c(c(c1)C(=O)O)ncc(c2O)C(=O)O	GNV	4-hydroxyquinoline-3,8-dicarboxylic acid
+c1cc(cc(c1)Cl)CN2CCNCC2	GNW	1-[(3-chlorophenyl)methyl]piperazine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)O	GNX	2-deoxy-3-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose
+CC(C)c1cccc2c1ncc(c2O)C(=O)O	GNY	4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid
+c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)C(F)(F)F	GNZ	(1~{s},5~{r})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one
+c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)Cl	GO0	3-(carboxymethyl)-4,7-dichloro-1h-indole-2-carboxylic acid
+c1c(cc(c2c1c(c([nH]2)C(=O)O)CC(=O)O)Cl)Cl	GO1	3-(carboxymethyl)-5,7-dichloro-1h-indole-2-carboxylic acid
+[H]/N=C(/N)\Nc1nc2ccccc2s1	GO2	1-(1,3-benzothiazol-2-yl)guanidine
+c1cc(ccc1CCN2[C@@H]3CCC[C@H]2CC(=O)C3)Cl	GO5	(1~{r},5~{s})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
+COc1cc(ccc1O)C[C@@H](CO)[C@@H](Cc2ccc(c(c2)OC)O)CO	GO6	(2r,3r)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol
+CC(C)(COc1ccc(c(c1)O[C@H]2CCN(C[C@H]2F)C(=O)Cc3ccc(cc3)OC(F)(F)F)C(=O)N)O	GO7	2-{[(3r,4s)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide
+CC(C)Sc1[nH]c2c(ncnc2n1)N	GO8	8-propan-2-ylsulfanyl-7~{h}-purin-6-amine
+C(COCCOCC(CO)(COCCO)COCCO)O	GO9	3-(2-hydroxyethyloxy)-2-[2-(2-hydroxyethyloxy)ethoxymethyl]-2-(2-hydroxyethyloxymethyl)propan-1-ol
+C(C(=O)O)O	GOA	glycolic acid
+COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)N(c2ccccc2)c3ccc(cc3)N)OC	GOB	4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid
+Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5	GOC	n-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
+CNC(=O)c1cc(c(nc1)N)O[C@H]2CN(CC2(F)F)C(=O)Cc3ccc(cc3)OC(F)(F)F	GOD	6-amino-5-{[(3s)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-n-methylpyridine-3-carboxamide
+CCCNC(=O)Nc1cccc(n1)C	GOE	1-(6-methylpyridin-2-yl)-3-propyl-urea
+COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5	GOF	n-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
+c1cc(c(c(c1)O)C(=O)O)C(=O)O	GOG	3-hydroxybenzene-1,2-dicarboxylic acid
+c1ccn(c1)c2c(nc(o2)C3CC3)c4[nH]nnn4	GOH	5-[2-cyclopropyl-5-(1h-pyrrol-1-yl)-1,3-oxazol-4-yl]-1h-1,2,3,4-tetrazole
+c1ccc2c(c1)C=Cc3ccccc3N2CCCN4CCN(CC4)CCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	GOI	2-{4-[3-(5h-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethyl beta-d-glucopyranoside
+CCOC(=O)c1c[nH]nc1	GOJ	ethyl 1~{h}-pyrazole-4-carboxylate
+Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO	GOK	2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{n}-oxidanyl-pyrimidine-5-carboxamide
+C(C(CO)O)O	GOL	glycerol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)([O-])OC[C@H](CCC(=O)[O-])[NH3+])O)O)N	GOM	glutamol-amp
+c1ccc(cc1)c2cn[nH]c2c3ccc(cc3O)OCCN4CCC(CC4)C(=O)N	GON	1-[2-[3-oxidanyl-4-(4-phenyl-1~{h}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide
+CO[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N	GOO	(1r,2r,3r,4s,5r)-4-amino-5-methoxycyclopentane-1,2,3-triol
+C(CC(=O)N)[C@@H](C(=O)O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	GOP	glucopine
+COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]	GOQ	8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
+C([C@H]([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O	GOS	d-glucitol-1,6-bisphosphate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC	GOT	phospholipid pg(16:0/cy17:0)
+CC(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N	GOU	6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine
+C[C@@H](CNCc1ccc2c(c1)OCO2)O	GOV	(2s)-1-{[(2h-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol
+Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO	GOW	3-benzamido-4-methyl-~{n}-oxidanyl-benzamide
+C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O	GOX	(2s,3s,4r,5r)-6-(hydroxyamino)-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
+C1CCN(CC1)C(=O)N2CCCCC2	GOY	di(piperidin-1-yl)methanone
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(nc(c3)N)N)N	GOZ	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@]([C@@H]([C@H](O2)CO)O)(CO)O)O)F	GP0	5-fluoro-1-[3-c-(hydroxymethyl)-beta-d-glucopyranosyl]pyrimidine-2,4(1h,3h)-dione
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O	GP1	2-amino-2-deoxy-1-o-phosphono-alpha-d-glucopyranose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N	GP2	phosphomethylphosphonic acid guanosyl ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N	GP3	diguanosine-5'-triphosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)OP(=O)(O)O)O	GP4	2-amino-2-deoxy-4-o-phosphono-alpha-d-glucopyranose
+c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N	GP5	diguanosine-pentaphosphate
+[H]/N=C(\c1ccc(cc1)NC(=O)Nc2ccc(cc2)Cl)/N	GP6	1-(4-amidinophenyl)-3-(4-chlorophenyl)urea
+CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCC=CC/C=C/CCC	GP7	(1r)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12e)-hexadeca-9,12-dienoate
+c1ccc(cc1)Oc2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=N)N	GP8	1-(2-amidinophenyl)-3-(phenoxyphenyl)urea
+C(C(COP(=O)([O-])[O-])O)O	GP9	(2r)-2,3-dihydroxypropyl phosphate
+[H]/N=C(/N)\NC[C@@H](C(=O)O)N	GPA	2-amino-3-guanidino-propionic acid
+Cc1c2c(c[nH]c2nc(n1)N)CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	GPB	n-[4-[2-(2-amino-4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoyl]glutamic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N	GPC	2'-fluoroguanylyl-(3'-5')-phosphocytidine
+C[C@@H]1[C@H](C[C@@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)N	GPD	(2r,3s,5s,6r)-5-amino-3-hydroxy-6-methyl-oxan-2-yl
+C(CO[P@](=O)(O)OC[C@@H](CO)O)N	GPE	l-alpha-glycerophosphorylethanolamine
+C(C(=O)O)NCP(=O)(O)O	GPF	n-(phosphonomethyl)glycine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5N=C(NC6=O)N)CO)O)O)O)N=C(NC2=O)N	GPG	guanylyl-2',5'-phosphoguanosine
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O	GPH	4-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc2cccnc2	GPI	(2s)-[3-pyridyl-1-propyl]-1-[3,3-dimethyl-1,2-dioxopentyl]-2-pyrrolidinecarboxylate
+C(C(=O)O)[NH2+]CP(=O)(O)O	GPJ	glyphosate
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F	GPK	5-fluoro-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H](C(=O)O)N)O)O)O)N=C(NC2=O)N	GPL	lysine guanosine-5'-monophosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)CP(=O)(O)O)O)O)O)O	GPM	(1s)-1,5-anhydro-1-(phosphonomethyl)-d-glucitol
+c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O)N=C(NC2=O)N	GPN	2-aminoethylglycine-carbonylmethylene-guanine
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O	GPO	4-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C	GPP	geranyl diphosphate
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl	GPQ	5-chloro-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GPR	(9r,10r)-9-(s-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene
+c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GPS	l-gamma-glutamyl-s-[(9s,10s)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-l-cysteinylglycine
+C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCF)O	GPT	(2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br	GPU	5-bromo-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)I	GPV	1-(beta-d-glucopyranosyl)-5-iodopyrimidine-2,4(1h,3h)-dione
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F	GPW	1-(beta-d-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dione
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N	GPX	guanosine 5'-diphosphate 2':3'-cyclic monophosphate
+CC(C)(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N	GQ0	9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OS(=O)(=O)O)O	GQ1	4-o-sulfo-alpha-d-glucopyranose
+CC(C)(C)C1=NOC(C1)Cn2cnc3c2nc(nc3Cl)N	GQ3	9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
+C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C	GQ5	1-methyl-~{n}-[2-[[(2~{s})-2-methylpyrrolidin-1-yl]methyl]-3~{h}-benzimidazol-5-yl]indazole-5-carboxamide
+Cc1ccc(cc1)Cn2cnc3c2nc(nc3Cl)N	GQ6	6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine
+c1cc(ccc1c2ccc(o2)CO)N	GQ7	[5-(4-aminophenyl)furan-2-yl]methanol
+C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C6CC6	GQ8	1-cyclopropyl-~{n}-[2-[[(2~{s})-2-methylpyrrolidin-1-yl]methyl]-3~{h}-benzimidazol-5-yl]indazole-5-carboxamide
+c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N	GQ9	6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine
+CN1C=CC=C(C1=S)O	GQA	1-methyl-3-oxidanyl-pyridine-2-thione
+c1ccc2c(c1)cc([nH]2)C(=O)NCc3ccc4c(c3)S=C(N4)N	GQB	~{n}-[(2-azanyl-3~{h}-1,3-benzothiazol-6-yl)methyl]-1~{h}-indole-2-carboxamide
+Cc1cccc(c1)C2CCC(CC2)[NH+]3CCN(CC3)c4cc(cnc4)Br	GQC	1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium
+C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)C)c3ccc(cc3)/C=C/C(=O)O)O	GQD	(e)-3-[4-[(1r,3r)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1h-isoquinolin-1-yl]phenyl]prop-2-enoic acid
+COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO	GQE	3-benzamido-4-methoxy-~{n}-oxidanyl-benzamide
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccccc3	GQG	n,n-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine
+C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-]	GQH	(2~{s})-~{n}-[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
+COC(=O)[C@@H]1C[C@H](CN1C(=O)c2ccco2)O	GQJ	methyl (2~{s},4~{r})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C(C)(C)O)O)NC(=O)CN3CCOCC3	GQK	(2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{r})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+COc1cccc(c1)/C(=C/2\C=Nc3c2c(ccn3)c4cc(cc(c4)F)F)/O	GQL	(e)-[4-(3,5-difluorophenyl)-3h-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
+COc1ccc(c(c1)O)c2cc[nH]n2	GQM	5-methoxy-2-(1~{h}-pyrazol-3-yl)phenol
+COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO	GQN	4-methoxy-~{n}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(=O)N(C)C	GQO	2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n,n-dimethylethane-1-sulfonamide
+c1ccc2c(c1)ncn2Cc3ccc(cc3)F	GQP	1-[(4-fluorophenyl)methyl]benzimidazole
+CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)c2cnccn2	GQQ	~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide
+c1ccc2c(c1)CC[C@@H]2N	GQR	(1~{s})-2,3-dihydro-1~{h}-inden-1-amine
+Cc1nnc(s1)Nc2cccc(c2)F	GQS	n-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
+CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-]	GQT	(2~{s})-~{n}-[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
+c1c(cc(cc1F)F)CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O	GQU	(3~{s},3~{a}~{s},6~{a}~{r})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{h}-cyclopenta[c]pyrrole-3-carboxamide
+CN1C=CC=C(C1=O)O	GQV	1-methyl-3-oxidanyl-pyridin-2-one
+c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO	GQW	~{n}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
+COc1cc(ccc1N)N2CCOCC2	GQY	2-methoxy-4-morpholin-4-yl-aniline
+c1ccc(cc1)NC(=O)c2cccc(c2)C(=O)NO	GQZ	~{n}1-oxidanyl-~{n}3-phenyl-benzene-1,3-dicarboxamide
+CC(=CCC/C(=C/CCC(=CCCC(=CCOP(=O)(O)O)C)C)/C)C	GR0	geranylgeranyl monophosphate
+CCN(CC)C(=O)c1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O	GR1	6-carbamimidoyl-2-[5-(3-diethylcarbamoyl-phenyl)-2-hydroxy-indan-1-yl]-hexanoic acid
+CC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3Cc4ccccc4[C@H]3OC2=O	GR2	(3e,3ar,8bs)-3-({[(2r)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2h-indeno[1,2-b]furan-2-one
+CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O)OC(=O)C)C)C)C)O)C	GR3	3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-16-hydroxy-4,10,13,14-tetramethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-4-carboxylic acid
+CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]2([C@]1([C@H](C[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)OC(=O)C)C)O)C)CO)O)C	GR4	r3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-12,16-dihydroxy-14-hydroxymethyl-4,10,13-trimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-4-carboxylic acid idopyranosyl ester
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3[C@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	GR5	(2ar,4s,4ar,7ar,7br)-octahydro-2h-1,7-dioxacyclopenta[cd]inden-4-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
+COc1ccc2c(c1)OCC\C=C\CCCCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	GR6	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-1-benzyl-2-hydroxy-3-[(7e)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2h-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate
+COc1ccc2c(c1)COC/C=C/CCCCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	GR7	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[(7e)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3h)-yl]-1-phenylbutan-2-yl}carbamate
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@@H]3[C@@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	GR8	(2as,4r,4as,7as,7bs)-octahydro-2h-1,7-dioxacyclopenta[cd]inden-4-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4cccnc4)N	GR9	3-amino-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-n-pyridin-3-ylpyrazine-2-carboxamide
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O	GRA	glutaryl-coenzyme a
+C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)OP(=O)(O)O	GRB	8-bromoguanosine 5'-(dihydrogen phosphate)
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N	GRC	5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
+CC[C@@H]([C@@H](C(=O)NCCCn1cnc2c1ncnc2N)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3	GRD	benzyl (s)-1-((2s,3s)-1-(3-(6-amino-9h-purin-9-yl)propylamino)-2-hydroxy-1-oxopentan-3-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate
+c1cc(c(c(c1)O)C(=O)O)O	GRE	2,6-dihydroxybenzoic acid
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O	GRF	5-o-phosphono-beta-d-ribofuranosylamine
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C	GRG	geranylgeranyl diphosphate
+C[C@H](c1ccccc1)C(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl	GRH	(2~{r})-~{n}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide
+COc1ccc(c2c1nc3c(cccc3n2)C(=O)O)C=O	GRI	6-formyl-9-methoxyphenazine-1-carboxylic acid
+COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO	GRK	4-methoxy-~{n}-oxidanyl-3-(2-phenylethanoylamino)benzamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)c4ccc(cc4)CO	GRL	(3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl (2s,3s)-3-hydroxy-4-(4-(hydroxymethyl)-n-isobutylphenylsulfonamido)-1-phenylbutan-2-ylcarbamate
+C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc5c(c4)OCO5	GRM	n-(1,3-benzodioxol-5-ylmethyl)-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
+C[C@@](c1ccccc1)(C(=O)O)N	GRN	2-phenyl-l-alanine
+C[C@H](c1ccccc1)C(=O)O	GRO	r-2-phenyl-proprionic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\[C@H]2C[C@@H]([C@H](O[C@@H]2C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O	GRP	 [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,5s,6r)-3-hydroxy-5-{[(1z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+CC(=CCC/C(=C/C=O)/C)C	GRQ	geranaldehyde
+CCc1ccc(cc1)O[C@@H](Cc2ccccc2)C(=O)O	GRR	(2s)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
+CC(C)C[C@@H](C(=O)NCC(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-]	GRT	(2~{s})-~{n}-[2-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
+Cc1c(n2ccccc2n1)C(=O)NCC(C)C	GRV	2-methyl-~{n}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
+C[C@H]([C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)N=[N+]=[N-])O	GRW	(2~{s})-~{n}-[(2~{s},3~{r})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{r})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C@@H](F)P(=O)(O)O)O)O)O)O	GRX	(1r)-1,5-anhydro-1-[(s)-fluoro(phosphono)methyl]-d-glucitol
+Cc1cc(nc(n1)Nc2ccc(cc2)N)C	GRY	~{n}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
+c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F	GRZ	1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{n}-oxidanyl-1,2,3-triazole-4-carboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)S)O)N=C(NC2=O)N	GS	guanosine-5'-thio-monophosphate
+CC[C@@H]1[C@H](C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C	GS0	bacteriochlorophyll a isomer
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O	GS1	1-thio-beta-d-glucopyranose
+CNC(=O)c1c(cccc1F)Nc2c3cc[nH]c3nc(n2)Nc4cc5c(ccn5C(=O)CN(C)C)cc4OC	GS2	2-[(2-{[1-(n,n-dimethylglycyl)-5-methoxy-1h-indol-6-yl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-n-methylbenzamide
+CC(C)N1CCN(CC1)c2ccc(c(c2)OC)Nc3nc4c(cc[nH]4)c(n3)Nc5cccc(c5C(=O)N)F	GS3	2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O	GS4	4-thio-beta-d-glucopyranose
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4s3)Cl	GS5	5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4ccc(cc4s3)Cl	GS6	6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide
+COc1cc(ccc1Nc2nc3c(cc[nH]3)c(n2)Nc4cccc(c4C(=O)N)F)CS(=O)(=O)C	GS7	2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
+C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GS8	s-hydroxy-glutathione
+c1ccc2cc(ccc2c1)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	GS9	naphthalen-2-yl 1-thio-beta-d-galactopyranoside
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O	GSA	o4-sulfonylgalactose
+c1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GSB	s-benzyl-glutathione
+CCS[C@@H](C(=O)O)N	GSC	2-ethylthio glycine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O	GSD	4-thio-d-glucose
+C([C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O)O	GSE	l-alpha-glycerophosphorylserine
+C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GSF	l-gamma-glutamyl-3-sulfino-l-alanylglycine
+CCc1ccccc1NC(=O)Oc2ccc3c(c2)[C@]4(CC[N@+]([C@@H]4[N@]3C)(C)[O-])C	GSG	1s,3as,8as-trimethyl-1-oxido-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl 2-ethylphenylcarbamate
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GSH	glutathione
+CN(C)Cc1nccn1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl	GSI	2-(5-chlorothiophen-2-yl)-n-[(3s)-1-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide
+CC(C)N(CCNS(=O)(=O)C)C(=O)[C@H](C)N1CC[C@@H](C1=O)NS(=O)(=O)c2ccc3cc(ccc3c2)Cl	GSJ	1-pyrrolidineacetamide, 3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-alpha-methyl-n-(1-methylethyl)-n-[2-[(methylsulfonyl)amino]ethyl]-2-oxo-, (alphas,3s)-
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl	GSK	6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-(4-morpholinyl)-2-oxo ethyl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide
+CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O	GSL	(2s,3r)-3-hydroxy-2-(tetradecanoylamino)octadecyl alpha-d-galactopyranosiduronic acid
+CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GSM	l-gamma-glutamyl-s-methylcysteinylglycine
+C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N	GSN	2-amino-5-[1-(carboxylatomethylcarbamoyl)-2-nitrososulfanyl-ethyl]amino-5-oxo-pentanoate
+c1ccc(cc1)[C@@H](CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O	GSO	l-gamma-glutamyl-s-[(2s)-2-hydroxy-2-phenylethyl]-l-cysteinylglycine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N	GSP	5'-guanosine-diphosphate-monothiophosphate
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4[nH]3)Cl	GSQ	5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-sulfonamide
+c1ccc(cc1)[C@H](CO)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2	GSR	2'-deoxy-n2-(r)styrene oxide guanosine monophosphate
+c1ccc(cc1)[C@@H](CO)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2	GSS	2'-deoxy-n2-(s)styrene oxide guanosine monophosphate
+CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C	GST	geranyl s-thiolodiphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N	GSU	o5'-(l-glutamyl-sulfamoyl)-adenosine
+CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl	GSV	2-(5-chlorothiophen-2-yl)-n-{(3s)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@H](C(=O)O)N	GSW	d-gamma-glutamyl-l-cysteinylglycine
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc(s3)c4ccc(s4)Cl	GSX	5'-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-2,2'-bithiophene-5-sulfonamide
+C(CO)n1c2c(nc1S)N=C(NC2=O)N	GSY	7-(2-hydroxyethyl)-8-mercaptoguanine
+CC(C)C(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3	GSZ	n-[(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide
+Cc1c(c(c(cn1)CO)COC)O	GT0	5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)COC)O	GT1	[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+c1cc(c(cc1C(=O)NO)NC(=O)c2ccc(cc2Cl)Cl)Cl	GT2	4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{n}-oxidanyl-benzamide
+C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)O	GT3	2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-n-[(2r,3r)-1,3-bis(oxidanyl)butan-2-yl]ethanamide
+COCC(=O)Nc1ccc(cc1)O	GT4	~{n}-(4-hydroxyphenyl)-2-methoxy-ethanamide
+Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](COC)C(=O)N[C@H](CCS(=O)(=O)C)Cc2ccc(cc2)CN	GT5	~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
+CC[C@@H](C(=O)N1C[C@H](C[C@H]1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)F)O)NC(=O)[C@H](C)NC	GT6	(2s,2's)-n,n'-[(6,6'-difluoro-1h,1'h-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2r,4s)-4-hydroxypyrrolidine-2,1-diyl][(2s)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide]
+C1CCC(CC1)NC(=O)CC#N	GT7	2-cyano-~{n}-cyclohexyl-ethanamide
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CCC2CCCCC2)[C@H](C(C)(C)O)O)NC(=O)CN3CCOCC3	GT8	(2~{s})-~{n}-[(3~{s},4~{r})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+CCCCCCCCCSC[C@@H](C(=O)O)N	GT9	s-nonyl-cysteine
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	GTA	p1-7-methylguanosine-p3-adenosine-5',5'-triphosphate
+c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	GTB	s-(p-nitrobenzyl)glutathione
+C1CC[C@H]([C@H](C1)C2=NNC(=S)N2)C(=O)O	GTC	(1r,2s)-2-(5-thioxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid
+C1=C(C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	GTD	1-(s-glutathionyl)-2,4,6-trinitrocyclohexa-2,5-diene
+[OH]	GTE	glucose 4-o4 group
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F	GTF	2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate)
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O	GTG	7-methyl-guanosine-5'-triphosphate-5'-guanosine
+C[C@H]([C@@H](C(=O)O)N)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C	GTH	3-o-glucopyranosyl-threonine-[2-deoxy-2-acetamido-glucopyranoside]
+c1ccc(cc1)c2nc(sn2)N3CCNCC3	GTI	1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine
+CCCn1c2ccccc2nc1NC(=O)CC	GTJ	~{n}-(1-propylbenzimidazol-2-yl)propanamide
+[C@H]1([C@H]([C@@H](O[C@H]1[C@@H](C(=O)O)O)O)O)O	GTK	beta-d-galactofuranuronic acid
+C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1)O)O)O)O	GTL	(2e,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-piperidinone
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O	GTM	methyl 4-thio-beta-d-glucopyranoside
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N	GTN	phosphoaminophosphonic acid guanylate ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N	GTO	phosphomethylphosphonic acid-guanylate ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N	GTP	guanosine-5'-triphosphate
+c1cc(c(cc1O)C(=O)O)O	GTQ	2,5-dihydroxybenzoic acid
+[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O	GTR	beta-d-galactopyranuronic acid
+C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GTS	glutathione sulfonic acid
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+]	GTT	glutathione
+CC#C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	GTU	n-[3-[(4r)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+Cc1cc(c2c(c1)OC(=O)C=C2CP(=O)(O)O)C	GTV	[(5,7-dimethyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CCS(=O)(=O)C)Cc3ccc(cc3)CN	GTW	~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
+CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+]	GTX	s-hexylglutathione
+CCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GTY	l-gamma-glutamyl-s-octyl-d-cysteinylglycine
+C([C@@H]1[C@@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O	GTZ	(5r, 6s, 7s, 8s)-5-hydroxymethyl-6,7,8-trihydroxy-tetrazolo[1,5-a]piperidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O-]	GU0	2,3,6-tri-o-sulfonato-beta-d-glucopyranose
+CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)O)C(=O)O)O	GU1	2,3-di-o-methyl-beta-d-glucopyranuronic acid
+CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(=O)O)O	GU2	2,3-di-o-methyl-alpha-l-idopyranuronic acid
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OS(=O)(=O)O)OC)COS(=O)(=O)O)O	GU3	methyl 3-o-methyl-2,6-di-o-sulfo-alpha-d-glucopyranoside
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	GU4	2,3,4,6-tetra-o-sulfonato-alpha-d-glucopyranose
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)[O-])O	GU5	2,3-di-o-methyl-6-o-sulfonato-alpha-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O	GU6	2,3,6-tri-o-sulfo-alpha-d-glucopyranose
+c1nc2c(n1CCNC(CO)CO)C(=O)NC(=N2)N	GU7	2-amino-7-[2-(2-hydroxy-1-hydroxymethyl-ethylamino)-ethyl]-1,7-dihydro-purin-6-one
+COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)O	GU8	2,3,6-tri-o-methyl-beta-d-glucopyranose
+COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)OC)O	GU9	2,3,6-tri-o-methyl-alpha-d-glucopyranose
+C(CC(=O)O)CC(=O)O	GUA	glutaric acid
+c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@@H](O4)CO)O)O	GUB	9-alpha-l-lyxofuranosyl-n-(2-phenylethyl)-9h-purin-6-amine
+Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(Cc4c(ccnc4F)C(=N3)N)C)F)C#N	GUC	n-[3-[(3s)-1-azanyl-5-fluoranyl-3-methyl-4h-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	GUD	glucose-uridine-c1,5'-diphosphate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N+]3=C2)C(=O)N=C(N4)N	GUE	5,10-methenyltetrahydrofolate
+[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1F)O)C(=O)O)O)O	GUF	2-deoxy-2-fluoro-beta-d-glucopyranuronic acid
+CC(C)NC(=O)c1ccc2ccccc2n1	GUG	~{n}-propan-2-ylquinoline-2-carboxamide
+O[Mo]1([O+]2[Mo]([O+]3[Mo]245([O+]1[Mo]([O+]4[Mo]6([O+]5[Mo]3(O6)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)O)(O)(O)(O)O)(O)(O)O	GUH	mo6 cluster
+CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl	GUI	5-chloro-n-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n'-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
+Cc1c(c2c(s1)-n3c(nnc3COC2)C)Cc4ccccc4	GUJ	3-benzyl-2,9-dimethyl-4h,6h-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine
+CC(C)Nc1cc(nn2c1ncc2c3ccc4c(c3)c[nH]n4)Cl	GUK	6-chloranyl-3-(2~{h}-indazol-5-yl)-~{n}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine
+C([C@]1([C@H]([C@@H]([C@@H](C(O1)F)O)O)O)F)O	GUL	(2r,3s,4r,5s)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol
+CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)NC(=O)C	GUM	4-methyl-umbelliferyl-n-acetyl-chitobiose
+c1[nH]c2c(n1)C(=O)NC(=N2)N	GUN	guanine
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C/N[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N	GUO	[(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[(e)-[[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+C([C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O	GUP	alpha-l-gulopyranose
+COc1ccccc1C2=C(C(=O)NC2=O)Nc3nc4ccccc4s3	GUQ	3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
+C12C(NC(=O)N1)NC(=O)N2	GUR	glycoluril
+[H]/N=C(\N)/Nc1ccc(c(c1)/C=N/[C@@H](C)C(=O)O)O	GUS	(e)-n-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-l-alanine
+CCN1C=Nc2c(c(c([nH]2)c3ccc(cc3)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C)C1=O	GUT	~{n}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C	GUU	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(methanesulfonyl)propanamide
+Cc1nccc(n1)c2cccc(c2)NC(=O)NC	GUV	1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
+COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C	GUW	~{n}-[3-(4-methoxy-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide
+C(CCCCN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O)CCCN=[N+]=[N-]	GUX	(1~{r},2~{s},3~{r},4~{s},5~{s},6~{r})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid
+CCCn1c(nnn1)NC(=O)c2ccco2	GUY	~{n}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide
+[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1F)O)C(=O)O)O)O	GUZ	2-deoxy-2-fluoro-alpha-d-glucopyranuronic acid
+CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	GV0	golvatinib 
+Cc1c(sc2c1c(ncn2)N(C)C)C	GV1	~{n},~{n},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC6CCOCC6	GV2	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(oxan-4-yl)pyridine-4-carboxamide
+Cc1c(c(n(n1)C)C)NC(=O)CC#N	GV4	2-cyano-~{n}-(1,3,5-trimethylpyrazol-4-yl)ethanamide
+CN(C)c1cccc(c1)c2cc(cc3c2nccn3)Nc4cnccc4S(=O)(=O)C	GV5	8-[3-(dimethylamino)phenyl]-~{n}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine
+CC[C@H](C)[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	GV6	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2s,3s)-2-azanyl-3-methyl-pentanoate
+Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)O	GV7	4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol
+Cc1coc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5S(=O)(=O)C	GV8	8-(3-methyl-1-benzofuran-5-yl)-~{n}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine
+CC(=O)Nc1ccsc1C(=O)O	GV9	3-(acetylamino)thiophene-2-carboxylic acid
+[H]/N=C(/N)\NCCCCC(=O)O	GVA	5-{[amino(imino)methyl]amino}pentanoic acid
+Cc1cccc(c1)[C@@H]2C[N@@](CC[C@@H]2N)c3ccc(c(c3)OC)OC	GVB	(3r,4s)-1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine
+Cc1nc(nn1c2cc(cc(c2)Cl)Cl)C(=O)O	GVC	1-(3,5-dichlorophenyl)-5-methyl-1h-1,2,4-triazole-3-carboxylic acid
+c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)CC#N)Nc4cc([nH]n4)C5CC5	GVD	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile
+COC(=O)CCCN	GVE	methyl 4-aminobutanoate
+c1cc(c(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	GVF	benzene-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]
+Cc1c(c[nH]n1)c2ccccc2	GVG	3-methyl-4-phenyl-1h-pyrazole
+c1cc2cc[nH]c2nc1	GVH	1h-pyrrolo[2,3-b]pyridine
+CNCc1ccc(cc1)c2c3c([nH]cn3)ncn2	GVI	n-methyl-1-[4-(9h-purin-6-yl)phenyl]methanamine
+c1ccc(cc1)[C@@H](c2ccc(cc2)c3c4c([nH]cn4)ncn3)N	GVJ	(s)-1-phenyl-1-[4-(9h-purin-6-yl)phenyl]methanamine
+c1cc(ccc1c2c3c([nH]cn3)ncn2)C4(CCNCC4)c5ccc(cc5)Cl	GVK	6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9h-purine
+CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)N)O	GVL	o-[(r)-{[(3r)-4-amino-3-hydroxy-2,2-dimethyl-4-oxobutyl]oxy}(hydroxy)phosphoryl]-l-serine
+CC(C)(C)C[C@H](CC(=O)O)O	GVM	(3r)-3-hydroxy-5,5-dimethylhexanoic acid
+c1cc(ccc1c2c[nH]nc2)[C@@H](CN)c3ccc(cc3)Cl	GVN	(2r)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine
+c1cc(ccc1c2c[nH]nc2)[C@H](CN)c3ccc(cc3)Cl	GVO	(2s)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine
+c1cc(ccc1c2c[nH]nc2)C3(CCNCC3)c4ccc(cc4)Cl	GVP	4-(4-chlorophenyl)-4-[4-(1h-pyrazol-4-yl)phenyl]piperidine
+c1ccc(cc1)[C@@H](CN)c2ccc(cc2)Cl	GVQ	(2r)-2-(4-chlorophenyl)-2-phenylethanamine
+c1ccc2cc(ccc2c1)C[C@H](C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3	GVR	(2r)-n-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide
+CCOC(=O)CC1(COC1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3	GVS	ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2h)-yl]oxetan-3-yl}acetate
+CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	GVT	3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol
+CCCC[C@]1(CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(\C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C)OC(=O)CCC(=O)O	GVU	(2e,4s,5s,6e,8e)-10-[(2s,3r,6s,8r,9s)-3-butyl-9-methyl-2-[(1e,3e)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid
+CCC(=O)Nc1ccc(cc1O)C	GVV	~{n}-(4-methyl-2-oxidanyl-phenyl)propanamide
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CC2CC[C@@H]3CCCC[C@H]3C2)[C@H](C(C)(C)O)O)NC(=O)CN4CCOCC4	GVW	(2~{s})-~{n}-[(2~{s},3~{r})-1-[(4~{a}~{s},8~{a}~{s})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GVX	l-gamma-glutamyl-s-[(2-phenylethyl)carbamothioyl]-l-cysteinylglycine
+c1cc(ccc1c2nnc(s2)N)O	GVY	4-(5-amino-1,3,4-thiadiazol-2-yl)phenol
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](C[C@@H]2CCC[C@H]3[C@H]2CCCC3)[C@H](C(C)(C)O)O)NC(=O)CN4CCOCC4	GVZ	(2~{s})-~{n}-[(2~{s},3~{r})-1-[(1~{s},4~{a}~{s},8~{a}~{r})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(c(c3)F)C(F)(F)F)C	GW0	{4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid
+Cn1c(c(cn1)Cl)C(=O)N2CCCCC2	GW1	(4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone
+C[C@H](CO)[C@@H]([C@H](C[C@@H]1CCC[C@H]2[C@H]1CCCC2)NC(=O)[C@H](Cc3ccc(cc3)OC)NC(=O)[C@H](C)NC(=O)CN4CCOCC4)O	GW2	(2~{s})-~{n}-[(2~{s},3~{s},4~{r})-1-[(1~{s},4~{a}~{s},8~{a}~{r})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)N	GW3	7-(1-ethyl-propyl)-7h-pyrrolo-[3,2-f]quinazoline-1,3-diamine
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](CNC(=O)C)Nc4ccccc4C(=O)c5ccccc5	GW4	n-[(2s)-2-[(2-benzoylphenyl)amino]-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl]acetamide
+CC/C(=C(\c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O)/c3ccccc3	GW5	(2e)-3-{4-[(1e)-1,2-diphenylbut-1-enyl]phenyl}acrylic acid
+C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F	GW6	(6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate
+CCc1cc2c(s1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	GW7	n-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine
+CN1CCN(CC1)C(=O)c2cccc(c2)NC(=O)Nc3ccc(cc3)N(C)c4ccnc(n4)Nc5ccc(cc5)CS(=O)(=O)C	GW8	1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea
+c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]	GW9	2-chloro-5-nitro-n-phenylbenzamide
+CC(=O)Nc1cccc(c1)NC(=O)COC	GWA	~{n}-(3-acetamidophenyl)-2-methoxy-ethanamide
+CC(C)C1=C(c2cc(ccc2NC1=O)F)OC#CC3CC3	GWB	4-[(cyclopropylethynyl)oxy]-6-fluoro-3-isopropylquinolin-2(1h)-one
+c1cc2c(cc1I)/C(=C\c3cc(c(c(c3)Br)O)Br)/C(=O)N2	GWD	(3e)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2h-indol-2-one
+Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)F)C(F)(F)F)Cl)S(N)(O)O	GWE	n-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide
+c1ccc(c(c1)c2c(c(on2)C3CC3)COC4C[C@H]5CC[C@@H](C4)N5c6nc7c(cc(cc7s6)C(=O)O)F)OC(F)(F)F	GWF	tropifexor
+Cn1c2ccccc2c(n1)C(=O)N	GWG	1-methylindazole-3-carboxamide
+C[C@H](c1cc(ccc1N2NC=CN2)F)Oc3cc(cnc3N)c4cccc(c4)S(=O)(=O)C	GWH	3-{(1r)-1-[2-(1,3-dihydro-2h-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine
+CCC(=O)NS(=O)(=O)c1ccc(c(c1)C)NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl	GWI	n-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide
+Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl)S(=O)(=O)N	GWJ	2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-n-(2-methyl-4-sulfamoylphenyl)acetamide
+CC1CCC(CC1)C[C@@H]([C@H](C(C)(C)O)O)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3	GWK	(2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{r})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)N	GWL	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide
+Cc1ccc(cc1)OP(=O)(O)O	GWM	(4-methylphenyl) dihydrogen phosphate
+O[Mo]12(O[Mo]34([O+]1[Mo]567([O+]2[Mo]8(O5)([O+]6[Mo]912([O+]8[Mo]5([O+]9[Mo]6(O5)([O+]1[Mo]([O+]73)(O4)(O6)(O2)O)(O)O)(O)(O)O)O)(O)O)O)(O)O)(O)O	GWN	mo8 cluster
+c1ccc(cc1)C[C@H](C[C@H]([C@H](Cc2ccccc2)N)O)C(=O)O	GWO	(2r,4r,5s)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid
+c1c(nc([nH]1)C2CC2)C(=O)N	GWP	2-cyclopropyl-1~{h}-imidazole-4-carboxamide
+c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Ru-4]456([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1c1c2nc2ccc(cc2n1)C#N	GWQ	ruthenium (bis-(phenanthroline)) (11-cyano-dipyridophenazine)
+CN1c2c(n(c(n2)Oc3cccc(c3)Cl)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO	GWR	8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione
+c1cc(cnc1)NC(=O)CC2CCCCC2	GWS	2-cyclohexyl-~{n}-pyridin-3-yl-ethanamide
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CC2CCC(CC2)C3CCCCC3)[C@H](C(C)(C)O)O)NC(=O)C[NH+]4CCOCC4	GWT	(2~{s})-~{n}-[(2~{s},3~{r})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide
+CC(C)NCc1ccc(cc1)N(C)C	GWV	~{n},~{n}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
+O[Mo](O)(O)(O)O	GWW	pentakis(oxidanyl)molybdenum
+C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@@H](CC3CCCCC3)NC(=O)N[C@@H](CCCCN)C(=O)O	GWX	(2s)-6-amino-2-[[(1r)-1-(cyclohexylmethyl)-2-oxo-2-[[(2s)-1,7,7-trimethylnorbornan-2-yl]amino]ethyl]arbamoylamino]hexanoic acid
+CN(C[C@@H]1CCOC1)c2c(cncn2)Cl	GWY	5-chloranyl-~{n}-methyl-~{n}-[[(3~{s})-oxolan-3-yl]methyl]pyrimidin-4-amine
+CC(C)C[C@@H]([C@H](C(C)(C)O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3	GWZ	(2~{s})-~{n}-[(2~{s})-1-[[(3~{r},4~{s})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide
+c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)CN4CCCC4	GX0	1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(NCCS)O)O)N=C(NC2=O)N	GX1	2'-deoxy-5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine
+O[Mo]12O[Mo]345O[Mo]6(O3)(O[Mo]78(O1)O[Mo]9(O7)(O[Mo]13(O2)O[Mo](O1)(O4)(O[Mo]124(O[Mo]7(O[Mo]%10(O6)(O[Mo](O8)(O%10)(O[Mo]6(O7)(O9)(O[Mo](O3)(O6)(O1)(O)O)O)(O)O)(O[Mo](O5)(O2)(O4)(O)O)O)O)O)(O)O)(O)O)(O)O	GX2	mo14o47 cluster
+CNc1ncc2c(n1)N(C(=O)C(=C2)c3c(c(cc(c3Cl)OC)OC)Cl)CCCN4CCN(CC4)C(=O)C=C	GX3	6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one
+c1cc(ccc1N2CCN(CC2)C(=O)C3CC3)F	GX4	cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
+CC#C[C@]1(C2(CC(C2)(F)F)COC(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N	GX6	n-[3-[(9s)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+C1CCC(CC1)NC2=CNC(=O)NC2=O	GX7	5-(cyclohexylamino)pyrimidine-2,4(1h,3h)-dione
+COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2ccc(c(c2)OCc3ccccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC	GX8	2-[[4-[2-hydroxy-2-oxoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-phenylmethoxy-phenyl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid
+Cn1cc(nc1)c2ccc(c(c2)C(=O)N)OC3CCN(CC3)C(=O)Cc4ccc(cc4)OC(F)(F)F	GXA	5-(1-methyl-1h-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide
+CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O	GXB	sialylated precision glycomacromolecule
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(=O)NC(=O)C	GXC	n-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide
+c1cc(c(c(c1)Cl)C(=O)CC(=O)C(=O)O)Cl	GXD	4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid
+c1ccc(cc1)[SeH]	GXE	benzeneselenol
+c1cc(c(c(c1)F)C(=O)CC(=O)C(=O)O)F	GXG	4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid
+COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)NNc4ccccc4)c5ccc(cc5)F)OC	GXH	3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)O	GXJ	(2r)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid
+c1cc2c(cc1c3cnc4n3nc(cc4NCC5CC5)Cl)c[nH]n2	GXK	6-chloranyl-~{n}-(cyclopropylmethyl)-3-(2~{h}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
+C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O	GXL	alpha-l-galactopyranose
+c1ccc(c(c1)C(=O)/C=C(/C(=O)O)\O)[N+](=O)[O-]	GXM	(2z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid
+COc1cc(cc(c1OC)Br)CN2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N	GXN	[2-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-1~{h}-isoquinolin-6-yl] sulfamate
+CC[C@@H]1C[C@@H](CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O)(=O)C6(CC6)C)C	GXO	[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{n}-[(1~{s},4~{r},6~{s},7~{z},11~{r},13~{r},14~{s},18~{r})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
+C([C@@H](C=O)O)C(=O)C(=O)O	GXP	(4s)-4-hydroxy-2,5-dioxopentanoic acid
+C1CC(CCC1NCCCN)NCCCN	GXQ	n,n'-bis(3-aminopropyl)-1,4-cyclohexanediamine
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C	GXR	(8~{s},9~{r},10~{s},11~{s},13~{s},14~{s},16~{s},17~{r})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
+C([C@H](C=O)O)C(=O)C(=O)O	GXS	(4r)-4-hydroxy-2,5-dioxopentanoic acid
+C(=O)C=O	GXT	ethanedial
+Cc1n(c2c([n+]1Cc3cnccn3)C(=O)c4ccccc4C2=O)CCOC	GXU	1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione
+C([C@@H](C=O)O)O	GXV	l-glyceraldehyde
+[O][W]1234O[Cu]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	GXW	cu(ii)-substituted wells-dawson
+COc1cc(c(cc1Br)OC)N	GXY	4-bromo-2,5-dimethoxyaniline
+[O][W]1234O[Ni]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	GXZ	ni(ii)-substituted wells-dawson
+C[C@H](CCC/C=C/[C@@H](CC(=O)SCCC(=O)OC)O)O	GY0	methyl 3-[(e,3r,9r)-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate
+CCc1cc(cc(c1C2C(=O)N3CCOCCN3C2=O)C=C)C	GY3	8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7h-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8h)-dione
+c1cc(ccc1CC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O)Cl	GY4	2-{(2s)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+COCCNC(=O)C1=C(C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3)O	GY5	5-hydroxy-n-(2-methoxyethyl)-6-oxo-2-[(2s)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4Cl)Cl)O	GY6	2-[(2s)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4F)F)O	GY7	2-[(2s)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
+c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)c5c(cncc5Cl)Cl)O	GY8	2-[(2s)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-n-(2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide
+c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O	GY9	2-{(2s)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide
+COc1cc2c(cc1OC)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O	GYA	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-(5,6-dimethoxy-2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide
+C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(c(c4)Br)N)OCO3	GYB	(8r)-5-(4-amino-3-bromophenyl)-n,8-dimethyl-8,9-dihydro-2h,7h-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)O	GYC	[(4z)-2-[(1r)-1-amino-2-mercaptoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+[H]/N=C(\N)/NCCC[C@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@@H](CC(=O)N)NC(=O)Cc1ccc(cc1O)O)N	GYD	n~1~-{5-[(3-{[3-(d-arginylamino)propyl]amino}propyl)amino]pentyl}-n~2~-[(2,4-dihydroxyphenyl)acetyl]-d-aspartamide
+C[C@H]([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O	GYE	beta-d-fucofuranose
+COC(=O)CCS	GYF	methyl 3-sulfanylpropanoate
+[H]/N=C(/N)\N[C@H]1C[C@H](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)S(=O)(=O)O	GYG	(1r)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-d-glycero-d-galacto-octitol
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C(C)C	GYI	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(propane-2-sulfonyl)propanamide
+C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(cc4)N)OCO3	GYK	(8r)-5-(4-aminophenyl)-n,8-dimethyl-8,9-dihydro-2h,7h-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide
+CCC(=O)Nc1cccc(c1)c2nc([nH]n2)NCc3c(cccc3Cl)F	GYL	n-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1h-1,2,4-triazol-3-yl)phenyl]propanamide
+CCCCCCCCCCCCCC(=O)OC[C@H](CO)O	GYM	(2r)-2,3-dihydroxypropyl tetradecanoate
+C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@H]3C(=C(CC[C@@]34CCCN=C4CC\C=C(\[C@@H]1O2)/C)[C@@H]5C[C@@H](C(=O)O5)C)C)/C)O	GYN	gymnodimine a
+COc1ccccc1[C@@H]2C[C@@H]2NC(=O)c3ccc4c(c3)[nH]cn4	GYO	~{n}-[(1~{s},2~{s})-2-(2-methoxyphenyl)cyclopropyl]-3~{h}-benzimidazole-5-carboxamide
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	GYP	methyl alpha-d-glucopyranoside
+c1c2c(nc(n1)/N=C/3\C=CC=NC3=O)N(C(=O)N2)C4CCC(CC4)CC#N	GYQ	2-[4-[8-oxidanylidene-2-[(~{e})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{h}-purin-9-yl]cyclohexyl]ethanenitrile
+Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCC[C@@H]3CO)CS(=O)(=O)c4ccccc4	GYR	{(2r)-1-[4-({3-methyl-5-[(phenylsulfonyl)methyl]phenoxy}methyl)benzyl]pyrrolidin-2-yl}methanol
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O	GYS	[(4z)-2-(1-amino-2-hydroxyethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)NCCCOCCOCCOCCCNC(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)O	GYT	bis-(2-acetamido-2-deoxy-alpha-d-glucopyranosyloxycarbonyl)-4,7,10-trioxa-1,13-tridecanediamine
+CCCNC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C	GYU	2-acetamido-2-deoxy-1-o-(propylcarbamoyl)-alpha-d-glucopyranose
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)N)CO)O)O	GYV	2-acetamido-1-o-carbamoyl-2-deoxy-alpha-d-glucopyranose
+c1cc2ncc(n2cc1C#N)c3ncc4c(n3)N(C(=O)N4CCO)C5CCOCC5	GYW	3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
+C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)NC(=O)C	GYX	n-[(3-acetamidophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
+c1ccc2c(c1)cccc2CC(=O)NCCCNCCCCNCCCN	GYY	n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2-(naphthalen-1-yl)acetamide
+C[C@H]1[C@H]([C@H]([C@@H](/C(=N/OC(=O)Nc2ccccc2)/O1)O)O)O	GYZ	[(~{z})-[(3~{s},4~{r},5~{s},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{n}-phenylcarbamate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)[C@H](CO)O)O)O)O)O)O)NC(=NC2=O)N	GZ0	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s},5~{s},6~{s})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+C1CC(=CC(=O)C1)Nc2[nH]nnn2	GZ2	3-(1h-tetrazol-5-ylamino)cyclohex-2-en-1-one
+C/C(=C\P(=O)(O)O)/C(=O)O	GZ3	(e)-2-methyl-3-phosphonoacrylate
+Cc1cc2c(cc1C)[n+](c3c(n2)C(=O)NC(=O)N3)CCCc4ccccc4	GZ4	7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N	GZ5	(2~{r})-2-azanyl-~{n}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{h}-indol-3-yl)propanamide
+C(=[NH2+])(N)N	GZ6	guanidinium
+Cc1cc2c(cc1NC3CCCC3)[n+](c4c(n2)c(nc(n4)O)O)CCCCCCC(=O)O	GZ7	10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium
+C1=CC(=S)C=C(C1C(=O)O)C(=O)O	GZ8	4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid
+Cc1c(ccc2c1CCCO2)c3c(nc(c(c3[C@@H](C(=O)O)OC(C)(C)C)C)NC(=O)NC4CCCCC4)C	GZ9	(2s)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2h-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+c1ccc(cc1)Cn2cc(cn2)OC3=Nc4cnccc4C(=O)N3	GZA	2-[(1-benzyl-1h-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3h)-one
+c1ccc(cc1)C(=O)NCC(=O)O	GZB	2-benzamidoethanoic acid
+[H]/N=C(\Nc1cc(c(cc1)O)/C=N/CC/N=C/c2c(ccc(c2)N/C(=N/[H])/N)O)/N	GZC	n,n'''-{ethane-1,2-diylbis[nitrilo(e)methylylidene(4-hydroxybenzene-3,1-diyl)]}diguanidine
+C[N+](C)(C)CCCCCNCC12CC3CC(C1)CC(C3)C2	GZD	n,n,n-trimethyl-5-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)pentan-1-aminium
+c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)OS(=O)(=O)N	GZE	[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate
+c1nc2c(n1[C@@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=S)(O)O)O)O)nc(nc2O)N	GZF	[(2r,3r,4s,5s)-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl bis(oxidanyl)phosphinothioyl hydrogen phosphate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCN(CCCC(=O)O)Cc4ccccc4	GZG	4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)ethyl]amino}butanoic acid
+c1cc(ccc1CCNC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)S(=O)(=O)N	GZH	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
+CC[C@@H](C(=O)O)NC(=O)C	GZJ	(2s)-2-(acetylamino)butanoic acid
+c1cc(c(cc1CN2C=Nc3c(cnn3[C@@H]4CCS(=O)(=O)C4)C2=O)Cl)Cl	GZK	1-[(3~{r})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
+C(C([C@H]1C(C([C@@H](O1)O)O)O)O)O	GZL	beta-d-galactofuranose
+CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(cc(c3)Cl)Cl	GZM	4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-n-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(c(c4)Cl)Cl	GZN	2-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
+CN(c1c(nc(nc1N)c2c3cccnc3n(n2)Cc4ccccc4F)N)C(=O)OC	GZO	methyl ~{n}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{n}-methyl-carbamate
+c1ccc(cc1)c2cc(n[nH]2)C3(CCCC3)O	GZP	1-(3-phenyl-1h-pyrazol-5-yl)cyclopentanol
+CC(=O)N(C)c1ccc(cc1Cl)Cl	GZQ	~{n}-(2,4-dichlorophenyl)-~{n}-methyl-ethanamide
+Cc1cn(cn1)c2ccc(cc2OC)C=C3CCCN(C3=O)[C@@H](C)c4ccc(cc4)F	GZR	1-[(1s)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
+CNC(=O)C1=CC=CN(C1=O)Cc2ccc3c(c2)OC(O3)(F)F	GZT	1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{n}-methyl-2-oxidanylidene-pyridine-3-carboxamide
+Cc1ccc(c(c1F)C(=O)C=C(C(=O)O)O)F	GZV	(2z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cc(nc3)C4CCNCC4)Cc5ccc(c(c5)Cl)Cl	GZW	2-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide
+Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)N2)O)(C)C)C)O)C)C	GZX	(1~{s},3~{s},7~{s},10~{r},11~{s},12~{s},16~{r})-8,8,10,12,16-pentamethyl-3-[(~{e})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
+CC(=O)N1CCC[C@H]1c2cccc(c2)OC	GZY	1-[(2s)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one
+[H]/N=C(/N)\NCCCCCCCCNCCCCCCCCN/C(=N/[H])/N	GZZ	n-{8-[(8-{[(e)-amino(imino)methyl]amino}octyl)amino]octyl}guanidine
+[H+]	H	etnam h hydrogen atom
+C(CC(=O)O)CS	H00	4-sulfanylbutanoic acid
+Cc1c\2[nH]c(c1CCC(=O)O)\C=C/3\C(=C(/C(=C/c4c(c(c([nH]4)C=C5C(=C(/C(=C2)/N5)S(=O)(=O)O)C)S(=O)(=O)O)C)/N3)C)CCC(=O)O	H01	protoporphyrin ix 2,4-disulfonic acid
+CCc1c(c\2[nH]c1C=C3C(=C(C(=Cc4c(c(c([nH]4)C=C5C(=C(/C(=C2)/N5)C)CCC(=O)O)CCC(=O)O)C)N3C)CC)C)C	H02	n-methyl protoporphyrin ix 2,4-disulfonic acid
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)N(C)C	H03	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(dimethylsulfamoyl)propanamide
+CCOc1ccccc1N2CCNCC2	H04	1-(2-ethoxyphenyl)piperazine
+CCCc1nc2ccccc2c3n1nc(n3)N	H05	5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
+[H]/N=C(/c1ccc(cc1)/C=N/NC(=O)c2cccnc2)\N	H06	(e)-4-((2-nicotinoylhydrazono)methyl)benzimidamide
+CO[C@@H]1[C@H]2[C@@H](COP(=O)(O2)O)O[C@H]1n3c4c(c(ncn4)N)nc3Sc5ccc(cc5)Cl	H07	(2s,4ar,6r,7r,7ar)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]-9h-purin-9-yl}-7-methoxytetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-2-ol 2-oxide
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(cc4)Cl	H08	2-[(4-chlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
+CC(=O)N1CCC=CC[C@H]1c2ccc(cc2)OC	H0A	1-[(2s)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1h-azepin-1-yl]ethan-1-one
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2nccc3)Cc4ccc(c(c4)Cl)Cl	H0B	6-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)OC(=O)c7c8ccccc8cc9c7cccc9)O	H0C	[(2~{r},3~{r},4~{r},5~{s},6~{s})-2-[[(1~{r},3~{s},5~{s},8~{r},9~{s},10~{r},11~{r},13~{r},14~{s},17~{r})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{h}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{h}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate
+CC[C@H](CO)NC(=O)Nc1ccc(cc1)Cl	H0D	n-(4-chlorophenyl)-n'-[(2r)-1-hydroxybutan-2-yl]urea
+CC1(CN=C2[C@H](c3cc(ccc3N2C1)S(=O)(=O)[N@@]4CCC[C@H]4COc5ccccc5)O)C	H0E	(10s)-3,3-dimethyl-8-{[(2s)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol
+Cc1cccc(c1)CC(=O)Nc2ccon2	H0G	2-(3-methylphenyl)-n-(1,2-oxazol-3-yl)acetamide
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccccc4	H0H	~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide
+CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCC(=O)O	H0I	4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid
+c1ccnc(c1)c2ccc(s2)C(=S)N	H0J	5-(pyridin-2-yl)thiophene-2-carbothioamide
+c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5cc(ccc5C4)CO	H0K	4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol
+COc1cc2c(cc1OC)C(=O)[C@H](C2)CC3(CCN(CC3)Cc4ccc(cc4)F)F	H0L	(2r)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
+c1ccnc(c1)NC(=O)Cc2cccc(c2)O	H0M	2-(3-hydroxyphenyl)-n-(pyridin-2-yl)acetamide
+c1cc(c(cc1CN2C=C(c3c(cnn3C4CCNCC4)C2=O)C(=O)Nc5ccncc5)Cl)Cl	H0N	5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{n}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide
+c1cc(cc(c1)O)CC(=O)Nc2cccnc2	H0P	2-(3-hydroxyphenyl)-n-(pyridin-3-yl)acetamide
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4cccc(c4)Cl	H0Q	2-[(3-chlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
+COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4ccccc4F)F	H0R	(2s)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
+Cc1ccc(cc1)Nc2c3cn[nH]c3ncn2	H0S	n-(4-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CN1CCN(CC1)S(=O)(=O)c2ccccc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5	H0T	[2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
+Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)c3ccc(s3)C#N	H0U	~{n}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide
+c1ccc(cc1)CCc2c[nH]c3c2c(nc(n3)N)N	H0V	5-phenethyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cccnc5N6CCC(CC6)N7CCCOC7=O)Cl)c8ccccc8	H0W	6-chloranyl-3-[3-[(1~{s})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{n}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{h}-indole-2-carboxamide
+c1ccc(cc1)C2=CC(=O)NC(=N2)SCC#N	H0X	[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile
+c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5cccc(n5)C(=O)O	H0Y	6-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]pyridine-2-carboxylic acid
+CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3	H0Z	bicuculline methochloride
+C[C@H](C#Cc1cccc(c1)OC23CC4CC(C2)CC(C4)C3)N(C(=O)N)O	H10	1-hydroxy-1-[(2r)-4-{3-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yloxy]phenyl}but-3-yn-2-yl]urea
+CCC[C@]1(C(=O)N=C(S1)NC2CCCCCCC2)C	H11	(5s)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5h)-one
+CCCC1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3	H12	6-chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1h)-one
+CCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO	H13	n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
+c1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O	H14	(2s,3r)-beta-hydroxy-phenylalanine
+CCCCCCCCCCCCCCC(=O)N[C@H](CC(c1ccccc1)O)CO	H15	n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide
+CCCC1=C(c2cc(ccc2NC1=O)Cl)SC3CCCCC3	H16	6-chloro-4-(cyclohexylsulfanyl)-3-propylquinolin-2(1h)-one
+C=CC(=O)N1CCC[C@@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl	H17	2-{3-[(2r)-1-acryloylpyrrolidin-2-yl]phenyl}-n-(3-chlorophenyl)acetamide
+CCCC1=C(c2cc(ccc2NC1=O)Cl)[S@](=O)C3CCCCC3	H18	6-chloro-4-(cyclohexylsulfinyl)-3-propylquinolin-2(1h)-one
+c1cc2c(cc1Cl)nc3c(c2N)[C@@H]4C[C@H](C3)CC(=C4)CC[NH3+]	H19	huprine 19
+CCC(CC)C(=O)Nc1ccccc1O	H1A	2-ethyl-n-(2-hydroxyphenyl)butanamide
+CCN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F	H1B	n'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
+CCCCc1ccc2c(c1)nc([nH]2)NC(=O)OC	H1C	methyl ~{n}-(5-butyl-1~{h}-benzimidazol-2-yl)carbamate
+C(CSC[C@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N	H1D	(2s)-2-amino-4-[(2r,3s)-2,3-dihydroxy-3-n-hydroxycarbamoyl-propylmercapto]butyric acid
+COc1cc(cc(c1OC)OC)C2CC(=NN2C(=S)N)c3ccccc3	H1F	5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide
+COc1ccc(cc1)CC(=O)Nc2cc(cnc2)OCC(=O)N3CCNC(=O)C3	H1G	2-(4-methoxyphenyl)-n-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide
+C[C@@H](c1ccccc1OC)NC(=O)Nc2cc(c(cc2C(=O)O)OC)OCCCC(C)C	H1H	5-methoxy-2-[[(1~{s})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid
+C/C(=N\Nc1nc2ccccc2s1)/c3ccc(o3)c4cccc(c4)S(=O)(=O)NC(=O)CCCCCc5ccccc5	H1I	n-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide
+c1cc(cc(c1)Cl)NC(=O)Cc2ccc(cc2)F	H1J	n-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide
+COc1cc(c(cc1NC(=O)Nc2cnccn2)Cl)OC	H1K	1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl	H1L	(2r)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)CCO	H1M	methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-d-mannopyranoside
+CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5	H1N	n-[2-oxo-3-((e)-phenyl{[4-(piperidin-1-ylmethyl)phenyl]imino}methyl)-2,6-dihydro-1h-indol-5-yl]ethanesulfonamide
+Cn1ccc2c1cccc2c3[nH]c4c(cccc4n3)c5cc(c(c(c5)OC)OC)OC	H1O	2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{h}-benzimidazole
+c1ccc(c(c1)c2ccc(cc2)F)N3C=CCC3=O	H1P	1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2h-pyrrol-2-one
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])O)O)N	H1Q	adenosine divanadate
+COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4cccc(c4)F)F	H1R	(2s)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
+C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O)[O-]	H1S	heparin disaccharide i-s
+O=[V](O[V]([O])([O])O[V]([O])([O])O[V]([O])O[V]([O])([O])[O])O([V]([O])[O])[V]([O])([O])([O])[O]	H1T	[[[[bis($l^{1}-oxidanyl)-[$l^{1}-oxidanyl-[tris($l^{1}-oxidanyl)vanadiooxy]vanadio]oxy-vanadio]oxy-bis($l^{1}-oxidanyl)vanadio]oxy-oxidanylidene-vanadio]-[bis($l^{1}-oxidanyl)vanadio]-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)vanadium
+c1ccc(cc1)CNCCc2c3ccccc3[nH]c2CNC4CCCCCC4	H1U	n-[[3-[2-[(phenylmethyl)amino]ethyl]-1h-indol-2-yl]methyl]cycloheptanamine
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C	H1V	n,n'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
+O[V](O)(O)(O)O	H1W	pentakis(oxidanyl)vanadium
+Cc1ccc(cc1S(=O)(=O)Nc2ccccc2C(=O)O)C(C)(C)C	H1X	2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid
+c1ccc(cc1)CC(=O)Nc2cccc(c2)Cl	H1Y	n-(3-chlorophenyl)-2-phenylacetamide
+CCCCOc1ccc(cc1)S(=O)(=O)N	H1Z	4-butoxybenzenesulfonamide
+CC(C)C1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3	H20	6-chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1h)-one
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)Cn3cnc(n3)NC(=O)c4ccc(s4)Cl	H21	5-chloro-n-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-1h-1,2,4-triazol-3-yl]thiophene-2-carboxamide
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@@]3CC[C@H](C3)NC(=O)c4ccc(s4)Cl	H22	5-chloro-n-[(3r)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
+CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O	H23	(1-hydroxydodecane-1,1-diyl)bis(phosphonic acid)
+C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)c3cccc(c3)OC	H24	(6s)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)O)NC(=O)c4ccc(s4)Cl	H25	5-chloro-thiophene-2-carboxylic acid ((3s,4s)-1-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide
+c1nc2c(n1CCOCCP(=O)(O)O)N=CNC2=O	H26	{2-[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethoxy]ethyl}phosphonic acid
+CC(C)[C@H](C(=O)O)N(/C=C/NC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3	H27	(2r)-2-[{(e)-2-[({(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2h-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid
+c1cc(c(c(c1)Cl)F)[C@H]2[C@H]3[C@H](C=NC3=O)N([C@]24c5ccc(cc5NC4=O)Cl)CC6CC6	H28	(3~{s},3'~{r},3'~{a}~{s},6'~{a}~{r})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{h}-indole-3,2'-3~{a},6~{a}-dihydro-3~{h}-pyrrolo[3,4-b]pyrrole]-2,4'-dione
+c1cc(ncc1N)N2CCc3c(ccs3)C2	H29	6-(6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
+CC(=O)OCC1CS[C@@H]2[C@@H](C(=O)N2C1C(=O)[O-])NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+]	H2A	(6r,7r)-3-[(acetyloxy)methyl]-7-{[(6s)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
+C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O	H2B	2-amino-6-(1,2-dihydroxy-propyl)-7,8-dihydro-6h-pteridin-4-one
+c1cc(ccc1CN2c3ccsc3C(=O)CS2(=O)=O)F	H2C	1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one
+CC[C@H](c1ccccc1)C(=O)Nc2ccon2	H2D	(2r)-n-(1,2-oxazol-3-yl)-2-phenylbutanamide
+C[C@H](CN1CCOCC1)Oc2ccc3c(c2)Cc4cccc(c4S3)C5=CC(=O)C=C(O5)N6CCOCC6	H2E	2-morpholin-4-yl-6-[7-[(2~{r})-1-morpholin-4-ylpropan-2-yl]oxy-9~{h}-thioxanthen-4-yl]pyran-4-one
+Cc1ccc(s1)CNC[C@H](C)O	H2G	(2s)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
+C[C@@](CCN1Cc2cc(cn2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C	H2H	(2~{r})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+COc1ccc(cc1)CC(=O)Nc2cccc(c2)Cl	H2J	n-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide
+c1cc(c(cc1Cl)NC(=O)Nc2cnc(cn2)C#N)O[C@@H]3CCNC3	H2K	1-{5-chloro-2-[(3r)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea
+c1ccc2c(c1)c(c[nH]2)CCNS(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4	H2L	1-[3-[2-(1h-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea
+c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O	H2M	1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2h-pyrrol-2-one
+C[C@@](CCN1C=C(OC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C	H2N	(2~{r})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OP(=O)(O)O	H2P	1-deoxy-2-o-phosphono-alpha-d-gluco-hept-2-ulopyranose
+C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC3(CC3)CO)(C(=O)NO)S(=O)(=O)C	H2Q	(2~{r})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)Nc4cccnc4	H2R	n-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide
+S	H2S	hydrosulfuric acid
+C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	H2U	5,6-dihydrouridine-5'-monophosphate
+CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CN)O	H2V	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate
+c1cc2c(c(c1)F)C=C(NC2=O)c3ccc(cc3)Cl	H2W	3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2h)-one
+C/C(=N\C(C)(C)NCc1cc(ccc1O)Br)/c2cccc(c2)OC	H2X	4-bromanyl-2-[[2-[(e)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol
+COc1ccc(cc1)CC(=O)Nc2cccnc2	H2Y	2-(4-methoxyphenyl)-n-(pyridin-3-yl)acetamide
+C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc3ccc(cc3)CN4CCOCC4)(C(=O)NO)S(=O)(=O)C	H2Z	(2~{r})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-~{n}-oxidanyl-butanamide
+CN1CCCC(=CC1)c2cc3c(cc2OC)C4(CCC4)C(=N3)N	H30	5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine
+Cc1ccc(cc1)c2ccccc2N3CCCC3=O	H31	1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one
+c1cc2c(c(c1)C(=O)O)C(=O)N(C2)c3ccc(c(c3)F)O	H32	2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{h}-isoindole-4-carboxylic acid
+CN1c2c([nH]c(n2)Cl)C(=O)N(C1=O)C	H33	8-chloro-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+c1cc2c(cc1Cl)nc3c(c2N)[C@H]4C[C@@H](C3)C=C(C4)CCCCn5cc(nn5)CO	H34	(1-{4-[(7s,11s)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]butyl}-1h-1,2,3-triazol-4-yl)methanol
+c1cc(oc1)CNc2c3c(nc[nH]3)ncn2	H35	n-(furan-2-ylmethyl)-7h-purin-6-amine
+[H]/N=C(\Nc1cc(ccc1)OCCOc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4	H36	n,n'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)N	H37	d-phenylalanyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-l-phenylalaninamide
+[H]/N=C(\Nc1cc(ccc1)c2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4	H38	n,n'-biphenyl-3,3'-diyldithiophene-2-carboximidamide
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3cc[nH]c3	H39	5-[(2s)-4-methyl-2-{[(1h-pyrrol-3-ylacetyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid
+COc1cccc(c1)CC(=O)Nc2cccc(c2)Cl	H3A	n-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide
+C[Si](C)(C)CCCS(=O)(=O)O	H3B	3-trimethylsilylpropane-1-sulfonic acid
+C[C@]1(C=CSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	H3C	n-[3-[(4s)-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+CC(=O)NC1(CCCC1)c2ccc3c(c2)OCCO3	H3D	n-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
+Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cnn(c4)Cc5ccccc5	H3E	5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine
+Cc1cc(nc2c1c(c(cc2N[C@@H](C)CCCN)OC)Oc3cccc(c3)C(F)(F)F)OC	H3F	tafenoquine
+CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2	H3G	(4-tert-butylpiperidin-1-yl)(phenyl)methanone
+CC(C)Oc1cccc(c1)c2coc3c2nc(cc3)c4cnn(c4)C	H3H	5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine
+CC1=C(C(=O)C=C1)Oc2cccnc2	H3J	3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one
+c1cc(c(cc1Br)NC(=O)Nc2cnc(cn2)C#N)N3CCC[C@H](C3)O	H3K	1-{5-bromo-2-[(3r)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea
+C[C@@H](c1ncnn1C)N	H3L	(1s)-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
+CC1=C[C@@H](OC1=O)O	H3M	(5r)-5-hydroxy-3-methylfuran-2(5h)-one
+Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)Oc5ccccc5	H3N	5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
+c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	H3P	2,2'-methanediylbis(3,4,6-trichlorophenol)
+Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)C5CCC5	H3Q	3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
+Cc1cc([nH]n1)c2ccccc2	H3R	5-methyl-3-phenyl-1h-pyrazole
+C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)CO)C(=O)[O-]	H3S	heparin disaccharide iii-s
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC	H3T	phospholipid pg(16:0/cy17:0)
+Cc1ccc(cc1NC(=O)c2cccc(c2)N)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	H3U	8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid
+c1ccc(cc1)CC(=O)Nc2ccon2	H3V	n-(1,2-oxazol-3-yl)-2-phenylacetamide
+CCC(C)(c1ccc(cc1)O)c2ccc(cc2)O	H3W	bisphenol-b
+C[C@H]1CC[C@@H]2[C@@]([C@]13C[C@@]4([C@H]([C@@H](C(=O)C(=C4O3)C)C(=O)OC)C)C)(CCC(=O)OC2(C)C)C	H3X	methyl (3'~{a}~{r},4'~{s},5'~{s},5~{a}~{s},6~{s},7~{s},9~{a}~{r})-1,1,3'~{a},4',5~{a},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{h}-1-benzofuran]-5'-carboxylate
+c1ccc(cc1)[C@H]2C[C@@H]([C@]34CNC[C@H]3C[C@H]2N4)O	H3Y	(3ar,4s,6r,7r,8ar)-6-phenyloctahydro-1h-3a,7-epiminocyclohepta[c]pyrrol-4-ol
+CC(C)c1ccc(cc1)O	H3Z	4-propan-2-ylphenol
+CCN([C@H]1CN(N=C1c2ccc(c(c2)Cl)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO	H41	n-[1-(n'-cyano-n-[3-(difluoromethoxy)phenyl]carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1h-pyrazol-4-yl]-n-ethyl-2-hydroxyacetamide
+c1cc2c(cc1O)CCCC2	H42	5,6,7,8-tetrahydronaphthalen-2-ol
+C[C@H](c1cccc2c1cccc2)N[C@H]3CCN(C3)c4ccc(cc4)CC(=O)O	H43	2-[4-[(3s)-3-[[(1r)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid
+[H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)N/C(=N/[H])/c4cccs4	H44	n-(4-{2-[(3-{[(e)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
+[H]/N=C(\c1cccs1)/Nc2cccc(c2)CCNCc3cccc(c3)N/C(=N\[H])/c4cccs4	H45	n-(3-{2-[(3-{[(z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
+CCN(CC)C(=O)[C@H](c1ccccc1)N2CCN(CC2)c3ccc(cc3F)NC(=O)c4ccccc4c5cccnc5	H46	~{n}-[4-[4-[(1~{s})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide
+COc1cccc(c1)CC(=O)Nc2ccon2	H47	2-(3-methoxyphenyl)-n-(1,2-oxazol-3-yl)acetamide
+CC(c1ccc(cc1)O)c2ccc(cc2)O	H48	4-[1-(4-hydroxyphenyl)ethyl]phenol
+c1cc(cc(c1)NC(=N)c2cccs2)CNC[C@@H]3CCCN3	H49	(s)-n-(3-(((pyrrolidin-2-ylmethyl)amino)methyl)phenyl)thiophene-2-carboximidamide
+c1ccc(cc1)[C@H]2C[C@H]([C@]34CNC[C@H]3C[C@H]2N4)O	H4A	(3ar,4r,6r,7r,8ar)-6-phenyloctahydro-1h-3a,7-epiminocyclohepta[c]pyrrol-4-ol
+C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O	H4B	5,6,7,8-tetrahydrobiopterin
+CCc1cc2c(s1)-[n+]3c([nH]nc3CN=C2c4ccccc4Cl)C	H4C	4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
+B(c1cc(cc(c1)NC(=O)Cc2cccs2)C(=O)O)(O)O	H4D	3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid
+CCOC(=O)c1ccc(c(c1)Br)N	H4E	ethyl 4-azanyl-3-bromanyl-benzoate
+c1cc(cnc1)NC(=O)Cc2ccc(cc2F)F	H4G	2-(2,4-difluorophenyl)-n-(pyridin-3-yl)acetamide
+c1cc(c(cc1S(=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)Cl)C#N	H4H	(1~{r},2~{s},4~{s})-~{n}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide
+c1ccc2cnc(cc2c1)NC(=O)Nc3cnc(cn3)C#N	H4K	1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea
+C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)CCCO)O	H4L	3-[4-[2-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol
+C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C	H4M	5,10-dimethylene tetrahydromethanopterin
+c1cc2c(cc[nH]2)cc1Br	H4N	5-bromanyl-1~{h}-indole
+C[C@@H](c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO)O	H4O	5-[4-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)NCP(=O)(O)O	H4P	1-deoxy-6-o-phosphono-1-[(phosphonomethyl)amino]-l-threo-hexitol
+CC[C@@H](C)c1ccc(cc1)O	H4Q	4-[(2~{r})-butan-2-yl]phenol
+C[C@@H](c1nccn1Cc2cc(on2)c3ccc(cc3)C#CC4[C@H]5[C@@H]4CN(C5)CCCC(=O)O)O	H4R	4-[(1~{r},5~{s})-6-[2-[4-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	H4S	n-[(2s,3s,4r)-3,4-dihydroxy-1-{[(1s,2s,3r,4r,5s)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide
+c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl	H4T	6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone
+CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCc3[nH]nnn3	H4U	6-ethyl-5-(4-{3-[3-(1h-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine
+COc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)I	H4V	methyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(c3)F	H4W	6-{[(3r,4r)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCCC(OC)(C)C)/C)/C)/C)\C)\C)/CCCC(OC)(C)C	H4X	(6~{e},8~{e},10~{e},12~{e},14~{e},16~{e},18~{e},20~{e},22~{e},24~{e},26~{e})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene
+COc1ccc(cc1)c2ccccc2N3CCCC3=O	H4Y	1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one
+CC1[C@@H](N(C2=C(N1)N=C(NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@H]([C@H]([C@H](CO[C@@H]4[C@@H]([C@@H]([C@@H](O4)CO[P@@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O	H4Z	5-(4-{[1-(2-amino-5-formyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)ethyl]amino}phenyl)-5-deoxy-1-o-{5-o-[(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}pentitol
+c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl	H50	1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid
+Cc1cncc2c1c(ccc2)S(=O)(=O)[N@]3CCCNC[C@@H]3C	H52	(s)-2-methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine
+c1cc(c(cc1O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	H53	(1s)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-d-glucitol
+Cc1cccc(c1)CC(=O)Nc2cccnc2	H54	2-(3-methylphenyl)-n-(pyridin-3-yl)acetamide
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N)N	H55	3,5-diamino-n-carbamimidoyl-6-(1-methyl-1h-pyrazol-4-yl)pyrazine-2-carboxamide
+c1cc(ccc1[C@@H]2[C@H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O)O	H56	(3~{r},4~{s})-1-(4-fluorophenyl)-3-[(3~{s})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one
+CC1C(C(C(N1)CCNCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O	H57	(3alpha)-[({2-[(2s,3s,4r,5s)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene
+CC1C(C(C(N1)CCNCCCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O	H58	(3alpha)-[3-({2-[(2s,3s,4r,5s)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene
+CCC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C)F)C3=CS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O	H59	n-{3-[(5s)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-4h-1,4-benzothiazin-7-yl}methanesulfonamide
+COc1cc(cc(c1OC)OC)C(=O)O	H5A	3,4,5-trimethoxybenzoic acid
+c1ccc2c(c1)c(cc(c2O)C(=O)O)Br	H5B	4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid
+CO[C@@H]1[C@@H](C(O[C@H]1n2cnc3c2NC(=O)NC3=O)CO)O	H5C	9-[(2r,3r,4r)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3h-purine-2,6-dione
+CC(=O)N1CCC[C@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl	H5D	2-{3-[(2s)-1-acetylpyrrolidin-2-yl]phenyl}-n-(3-chlorophenyl)acetamide
+CC(C)(C)c1csc(n1)CN2C(=O)C3(CC3)NC2=O	H5E	6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
+C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	H5F	6-azanyl-9-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1h-purin-2-one
+c1cc(cc(c1)O)CC(=O)Nc2cccc(c2)Cl	H5G	n-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)NC)F)F)O	H5H	(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+c1cc2c(cc1N(=O)=O)cno2	H5J	5-nitro-1,2-benzoxazole
+c1cc(cc2c1cc(cc2)NC(=O)Nc3cnc(cn3)C#N)C(=O)O	H5K	6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(c(c4)O)O)O	H5L	s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (e)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enethioate
+C[C@H]1C[C@@H]([C@H](N1)C(=O)O)O	H5M	trans-3-hydroxy-5-methylproline
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N=[N+]=[N-])F)F)O	H5N	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+CO[C@@H]1[C@H]([C@H]([C@H](O[C@H]1S[C@@H]2COC[C@@H]([C@H]2O)n3cc(nn3)c4cncnc4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F	H5O	(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-5-methoxy-6-[(3r,4r,5s)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol
+C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O	H5P	hydantocidin-5'-phosphate
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N)F)F)O	H5Q	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4	H5R	2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine
+Cc1cc(ccc1F)CN2[C@H](C(=C(C2=O)C3=NS(=O)(=O)c4c3ccc5c4CN(CC5)S(=O)(=O)C)O)C(C)(C)C	H5S	(5s)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2h-pyrrol-2-one
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)O)F)F)O	H5T	(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(cc2)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O	H5U	n-({3-[(5s)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide
+C[C@]1([C@@H]([C@H](O[C@H]1n2ccc3c2ncnc3N)CO)O)O	H5V	7-(2-c-methyl-beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCC/C=C/c3cccc(c3)F	H5W	6-{[(3r,4r)-4-{[(3e)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CCN(CCN(C)C)C(=O)c1cnn(c1c2ccc(cc2)OC)c3cc(ccn3)C(=O)O	H5Y	2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1h-pyrazol-1-yl]pyridine-4-carboxylic acid
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)F)F)F)O	H5Z	(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CCCC[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	H60	(2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]hexanamide
+c1ccc2c(c1)nc(n2CCN3CCCCC3)c4cc5c(s4)c(ccn5)C(=O)O	H61	2-{1-[2-(piperidin-1-yl)ethyl]-1h-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid
+C1[C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)N	H62	(1~{r},2~{r},3~{r},4~{s},6~{s})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid
+CCCC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	H63	(2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]hexanamide
+CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3Br)OCO4	H64	8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)C3CCN(CC3)C	H65	4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine
+CC[C@H]1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)C1	H66	2-{[(7s)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-n-[2-(piperidin-1-yl)ethyl]acetamide
+C[C@@H](c1cnn(c1c2cccc(c2)c3ccccc3)c4cc(ccn4)C(=O)O)OCCN5CCCCC5	H67	2-[5-([1,1'-biphenyl]-3-yl)-4-{(1s)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1h-pyrazol-1-yl]pyridine-4-carboxylic acid
+COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC	H68	tetrahydrocolumbamine
+c1cc(c(cc1C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl	H69	6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)c2c(cnn2c3cc(ccn3)C(=O)O)[C@@H](c4ccccc4)OCCN5CCCCC5	H6A	2-(5-phenyl-4-{(r)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrazol-1-yl)pyridine-4-carboxylic acid
+CN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@@H]2C(=O)O)O)O)O	H6B	(1~{r},2~{r},3~{r},4~{s},5~{s},6~{r})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid
+C[S@@](=O)C1=C(C(=O)NC(=C1)c2cccc(c2)OC(F)(F)F)C#N	H6D	4-[(r)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile
+C1CCC2(CC1)CCN(C2)S(=O)(=O)C[C@@H]3CCCOC3	H6E	2-[[(3~{r})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccc3ccccc3c2	H6F	~{n}-[(2~{s})-3-methyl-1-[[(2~{s})-4-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide
+C=CC(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O	H6G	n-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
+CN(C)c1c2cc(n(c2nc(n1)NCCc3ccc4ccccc4c3)CCC(=O)N)C(=O)N(CCCCN)CC(=O)N	H6H	~{n}-(4-azanylbutyl)-~{n}-(2-azanyl-2-oxidanylidene-ethyl)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(dimethylamino)-2-(2-naphthalen-2-ylethylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
+C=CS(=O)(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O	H6J	n-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine
+c1ccc(cc1)c2cc(n[nH]2)NC(=O)Nc3cnc(cn3)C#N	H6K	1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1h-pyrazol-3-yl)urea
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)[N+](=O)[O-]	H6L	~{n}-[(2~{s})-3-methyl-1-[[(2~{s})-4-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
+c1ccnc(c1)c2nc(cc(n2)N3CCCN(CC3)C(=O)CO)NCCC(=O)O	H6M	n-{6-[4-(hydroxyacetyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine
+c1cc(c(cc1C=O)O)O	H6N	protocatechuic aldehyde
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC[C@@H](CO)O	H6O	(2s)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol
+C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CO	H6P	(2e)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
+C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	H6Q	2-o-[(r)-{[(2s)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-d-glucopyranose
+C#CC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	H6R	(2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pent-4-ynamide
+CN1CCC[C@H]1CCO[C@H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O	H6S	2-[(r)-(2-chlorophenyl){2-[(2s)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid
+CN1CCC[C@H]1CCO[C@@H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O	H6T	2-[(s)-(2-chlorophenyl){2-[(2s)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid
+c1ccc(cc1)[C@H](CNCCc2ccc(cc2)NC(=O)Cc3csc(n3)N)O	H6U	2-(2-azanyl-1,3-thiazol-4-yl)-n-[4-[2-[[(2r)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide
+c1cc(cc(c1)N)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	H6V	2-{(r)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+CN(C)CCCNc1ccn2c(n1)c(cn2)c3ccc4c(c3)OCO4	H6W	~{n}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{n}',~{n}'-dimethyl-propane-1,3-diamine
+CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3OC)Nc4ncc(cn4)CCc5cc(cc(c5)OC)OC	H6X	5-[2-(3,5-dimethoxyphenyl)ethyl]-n-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N	H6Y	8-oxo-adenosine-5'-triphosphate
+C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	H6Z	2-o-[(r)-{[(2s)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose
+c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl	H70	2,4-dichloro-6-(3,4,5-tribromo-1h-pyrrol-2-yl)phenol
+CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4	H71	8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine
+c1cc(cnc1)CNc2ccn3c(n2)c(cn3)c4ccc(cc4)C(=O)N	H72	4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@H](C[C@@H]3C(=O)O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C	H73	5'-s-[(2r,4r)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine
+C=CC(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	H74	2-{(r)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+c1cc(ccc1N2C=C3CCCCN3C2=O)Br	H75	2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2h)-one
+C[C@H]1[C@H]([C@H]([C@@H](N1)C#C)O)O	H76	(2s,3s,4r,5s)-2-ethynyl-5-methylpyrrolidine-3,4-diol
+CN(C)C/C=C/C(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	H77	2-{(r)-(3-{[(2e)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+c1cc(cc(c1)c2cccc(c2)NS(=O)(=O)c3cccc(c3)S(=O)(=O)Nc4cccc(c4)c5cccc(c5)CC(O)(P(=O)(O)O)P(=O)(O)O)CC(O)(P(=O)(O)O)P(=O)(O)O	H78	[1-oxidanyl-2-[3-[3-[[3-[[3-[3-(2-oxidanyl-2,2-diphosphono-ethyl)phenyl]phenyl]sulfamoyl]phenyl]sulfonylamino]phenyl]phenyl]-1-phosphono-ethyl]phosphonic acid
+C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)C/C=C/C34[C]5[Fe]3678912([C]5[C]6[C]74)[C]3[C]8[C]9[C]1[C]23)O)O	H79	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-1-{3-[4-(3,4-dihydroxy-5-methylpyrrolidin-2-yl)-1h-1,2,3-triazol-1-yl]prop-1-en-1-yl}cyclopentadienyl]iron
+Cc1c(c(c(o1)C)S(=O)(=O)N[C@@H]2CCOc3c2cc(cc3)F)C(=O)O	H7A	4-{[(4r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)N4CCC(CC4)N(C)C)c5ccc(cc5)Cl)OC	H7B	2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
+COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SC4CCNCC4	H7C	2,7-dimethoxy-9-piperidin-4-ylsulfanyl-acridine
+C1CCC[C@@H]([C@@H](CC1)C(=O)O)NS(=O)(=O)N2CCCC2	H7D	(1r,2s)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)Nc4ccc(cc4)N5CCC(CC5)[N+](C)(C)C)c6ccc(cc6)Cl)OC	H7E	[1-[4-[2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium
+COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CCNCC4	H7F	[2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol
+c1cc(cc(c1)NS(=O)(=O)c2cccc(c2O)Cl)CC(=O)O	H7G	(3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid
+C\C=C\CC(C(=O)C)n1cc(nn1)[C@](C)(C(C)C)NC(=O)c2ccccc2	H7J	n-[(1s)-1-{1-[(1r,3e)-1-acetylpent-3-en-1-yl]-1h-1,2,3-triazol-4-yl}-1,2-dimethylpropyl]benzamide
+COC(=O)c1ccc(o1)c2c3c(n[nH]2)-c4ccc(cc4C3)CNC5CCC(CC5)O	H7K	methyl 5-(6-{[(cis-4-hydroxycyclohexyl)amino]methyl}-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)furan-2-carboxylate
+COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CNC4	H7L	[9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol
+Cn1cnnc1Sc2ccccc2NS(=O)(=O)c3cccc(c3O)Cl	H7M	3-chloro-2-hydroxy-n-{2-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide
+CCCCCC[P@@](=O)(O)OCCCC	H7N	butoxy(hexyl)phosphinic acid
+COc1ccc2c(c1)c(c3cc(ccc3n2)OCc4ccccc4)SCC5CCNCC5	H7O	2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine
+C[C@H](C1CCC(CC1)c2ccnc3c2cc(cc3)F)C(=O)Nc4ccc(cc4)Cl	H7P	(2r)-n-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
+c1ccc2c(c1)CN(C2)CCCOc3cc4c(cc3OCC5CC5)C6(CCCC6)C(=N4)N	H7Q	5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine
+COc1ccc2c(c1)c(c3c(n2)sc(n3)SC)SCC4CCNCC4	H7R	7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline
+c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O	H7S	(3s)-3-(5-fluoro-1h-indol-3-yl)pyrrolidine-2,5-dione
+CC1(c2cc(c(cc2N=C1N)OCCCN3Cc4ccc(cc4C3)OCCc5cn(nn5)CC(=O)N6CCC(CC6)CCN7CCCC7)OCC8CC8)C	H7T	2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
+CC(C)Oc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4	H7U	2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine
+CN[C@@H](CC1CCCCC1)C(=O)O	H7V	3-cyclohexyl-n-methyl-l-alanine
+C[C@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N	H7W	(1~{s})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{h}-isoindole-4-carboxamide
+COc1ccc2c(c1)c(c3cc(cc(c3n2)C(=O)O)OC)SCC4CCNCC4	H7X	2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid
+C/C=C/c1ccc(c(c1)OC)O	H7Y	isoeugenol
+C[C@@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N	H7Z	(1~{r})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{h}-isoindole-4-carboxamide
+COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@H]4CCNC4	H80	[2,7-dimethoxy-9-[[(3s)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
+C[NH+]1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc5c4C(=O)CC5)C(F)(F)F	H82	3-methoxy-~{n}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
+c1ccc(cc1)c2ccc(cc2Cl)CNCCCCN	H83	~{n}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)N	H84	2'-deoxy-5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
+CCCCCCCCCCOc1cc(c[n+](c1)CC(P(=O)(O)O)P(=O)(O)O)c2cc(cc(c2)F)F	H86	3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium
+Cc1ccc(cc1NC(=O)CCO)N2c3c4ccc(cc4ncc3C=CC2=O)c5ccc(cc5)NS(=O)(=O)C	H88	~{n}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide
+c1ccc(cc1)COc2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O	H89	6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+C[C@H]1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)C#N	H8A	3-{[(3r)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile
+CNCc1ccccc1OCc2ccc3ccc(nc3c2)N	H8B	7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
+Cc1c(c(on1)C)c2ccc3c4c2cccc4C(=O)N3[C@H](C)c5ccccc5	H8C	6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1r)-1-phenylethyl]benzo[cd]indol-2-one
+CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C	H8D	(8beta)-n-[(2s)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide
+CN(c1ccccc1)NC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)C(=O)NCc2ccccc2)NC(=O)OCc3ccccc3	H8E	benzyl-n-[(2s)-1-[[(3s)-7-amino-1-(benzylamino)-1,2-dioxoheptan-3-yl]amino]-5-(2-methyl-2-phenylhydrazinyl)-1,5-dioxopentan-2-yl]carbamate
+CC(C)(C)c1cc(c(c(c1)O)CN)C(C)(C)C	H8F	2-(aminomethyl)-3,5-ditert-butyl-phenol
+CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C	H8G	n,n-diethyl-n'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea
+CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl	H8H	n-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2h-pyran-4-yloxy)quinazolin-4-amine
+CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C	H8J	(8alpha)-n-[(2s)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide
+c1cc-2c(cc1CNC3CCC(CC3)O)Cc4c2n[nH]c4c5ccoc5	H8K	trans-4-({[3-(furan-3-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-yl]methyl}amino)cyclohexanol
+Cc1c(c(c(c(n1)C)C(=O)OCC(C)C)c2ccccc2NO)C(=O)OC	H8L	o3-methyl o5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate
+Cc1ccc2c(c1)c3c([nH]2)[C@@H](NCC3)Cc4ccc(c(c4Cl)OC)OC	H8M	(1s)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1h-beta-carboline
+c1cc(ccc1C#N)O	H8N	4-hydroxybenzonitrile
+c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]([C@@H]3CCCCN3)O	H8O	(s)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2s)-piperidin-2-yl]methanol
+CC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N([C@H](C(=O)N3C[C@@H](C(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)CS[C@@H]6CN7CCC6CC7)Cc8ccc(cc8)N(C)C)C	H8Q	~{n}-[(3~{s},6~{r},12~{r},15~{s},16~{s},19~{s},22~{s},25~{s})-25-[[(3~{s})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide
+CCCCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O	H8R	(2~{s})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)C(C)C)C3CCCCC3	H8S	n-{(1s)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)n3cccc3C(=O)O[C@@H]1C(C)C)O)/C	H8T	(10~{r},11~{r},12~{e},17~{e},19~{e},21~{s})-11,19-dimethyl-21-oxidanyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),4,6,12,17,19,25(28)-heptaene-2,8,14,23-tetrone
+C[C@]1(CCN2[C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)c6ccc7c(c6NC5=O)OC=CC(O7)(C)C)N(C3=O)C)O	H8U	paraherquamide a
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@H](C)CCN3CCOCC3)C4CCCCC4	H8V	(2r)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide
+CC(C)CN1CCc2c(ccc3c2cn[nH]3)[C@H]1c4ccc(cc4)CCC(=O)O	H8W	3-[4-[(6~{r})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid
+CS(=O)(=O)N(Cc1ccco1)C[C@@H](Cn2c3ccccc3c4c2cccc4)O	H8X	n-[(2r)-3-carbazol-9-yl-2-oxidanyl-propyl]-n-(furan-2-ylmethyl)methanesulfonamide
+C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)C#C)c(ncn3)N	H8Z	1-[(3~{r})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
+c1ccc(cc1)C(=O)c2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O	H90	6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+CN(C)CC1CCC(CC1)N2c3c4cc(ccc4ncc3CNC2=O)c5cc(c(c(c5)Cl)O)Cl	H91	9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1h)-one
+c1cc(ccc1c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4)C(=O)N	H92	4-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide
+CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C1N	H93	2-azanyl-9-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one
+c1c(c(cnc1N2CCC(CC2)c3c4c(n[nH]3)NC(=O)C[C@@]4(C(F)(F)F)O)C#N)C(F)(F)F	H94	6-{4-[(4r)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2h-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile
+C[C@H](CC[C@H](C)O)O	H95	(2~{s},5~{r})-hexane-2,5-diol
+COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@@H]4CCNC4	H96	[2,7-dimethoxy-9-[[(3r)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
+C[C@]12CCC/C(=C\C=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O	H97	(1r,3r,7e,17beta)-17-[(1r)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol
+C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)O)O	H98	~{n}-[5-[(1~{r})-2-[[(2~{r})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide
+COc1ccc2c(c1)c(c3cc(cc(c3n2)C(F)F)OC)SCC4CCNCC4	H99	4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine
+CCP(=O)(O)OC(C)C	H9A	propan-2-yl hydrogen (r)-ethylphosphonate
+CC[C@@H](C(=O)N[C@@]1(C[C@@H]1c2ccc(cc2)c3ccc(cc3)C(F)(F)F)CN)N	H9B	(2~{s})-~{n}-[(1~{r},2~{r})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide
+c1cc2c3c4c1C=CC=[N]4[Pt]5([N]3=CC=C2)[N]6=C7C(=CC=C6)C=CC8=C7[N]5=CC=C8	H9C	bis(1,10-phenanthroline)platinum(ii)
+[B-](c1cc2cc(ccc2s1)CBr)(O)(O)O	H9E	[5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
+C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO	H9F	2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
+C[C@H]1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)c5[nH]nnn5	H9G	(3r)-3-methyl-4-[3-(1h-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3ccc(cc3)[C@H]4C[C@@]4(C#N)NC(=O)C5(CCCCC5)N	H9H	1-azanyl-~{n}-[(1~{r},2~{r})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide
+CCc1c(c(nc(n1)N)N)OCC2(COC2)COc3ccccc3CCC(=O)O	H9I	3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid
+C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)NC(=O)C(F)(F)F)O)O)O	H9J	2,2,2-trifluoro-n-[(1r,2r,3r,4r,5r,6r)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
+c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5ccc(cc5C4)O	H9K	3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@@H](C)CCN(C)C)C3CCCCC3	H9M	(2s)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide
+B1(c2ccccc2[C@@H](O1)C(=C)C(=O)O)O	H9O	2-[(3r)-1-oxidanyl-3h-2,1-benzoxaborol-3-yl]prop-2-enoic acid
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@@H](C)Cn3ccnc3)C4CCCCC4	H9P	n-[(1s)-1-cyclohexyl-2-{[(2s)-3-(1h-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide
+c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O2)O)O	H9R	2-[3,4-bis(oxidanyl)phenyl]-6-[(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)/C=C/CN3CCOCC3)C4CCCCC4	H9S	(2e)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide
+C([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@H]1O)O)O)O	H9T	(1~{s},2~{s},3~{s},4~{s},5~{r},6~{s})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
+C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C	H9U	(2r)-2-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-3-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid
+c1cc(ccc1c2c(cc(cc2F)Cl)F)[C@@H]3[C@@H](N[C@H]3C#N)CF	H9V	(2r,3s,4r)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile
+c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cn4c3cc(c4)C#N)F	H9Y	8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)N[C@H]6CCCN(C6)C	H9Z	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-[(3~{s})-1-methylpiperidin-3-yl]pyridine-4-carboxamide
+CCC[C@H](CC1(CCCC1)C(=O)N[C@H](Cc2ncc(o2)c3ccccc3)C(=O)O)C(=O)O	HA0	heteroarylalanine 5-phenyl oxazole
+c1nc2c(n1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N	HA1	9-(5,5-difluoro-5-phosphonopentyl)guanine
+c1ccc(cc1)COc2ccc(cc2)C[C@@H](CN(C(=O)CCCCC(=O)O)O)N	HA2	6-[{(2s)-2-amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid)
+c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(=O)NO	HA3	n-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)carbonyl]thiophene-2-carboxamide
+C1c2c(onc2O)CN[C@H]1C(=O)O	HA5	(5r)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid
+c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3	HA6	2-(1h-pyrazol-4-yloxy)-3h-pyrido[3,4-d]pyrimidin-4-one
+C1CN[C@@H](c2c1c(no2)O)C(=O)O	HA7	(7s)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid
+C=CC\C=N\c1c2c(nc[nH]2)ncn1	HA8	n6-(buta-2,3-dienyl)adenine
+c1cc(c(cc1CC(=O)O)O)O	HAA	2-(3,4-dihydroxyphenyl)acetic acid
+c1ccc(c(c1)C(=O)O)/N=N/c2ccc(cc2)O	HAB	2-((4'-hydroxyphenyl)-azo)benzoic acid
+C1CCC(CC1)C[C@@H](C(=O)O)N	HAC	beta-cyclohexyl-alanine
+C(C(=O)O)N(C(=O)O)O	HAD	(carboxyhydroxyamino)ethanoic acid
+CC(=O)NO	HAE	acetohydroxamic acid
+CC(C)(C)OC(=O)N1CC2=C(C1)N=C(N(C2=O)C)N[C@@H]3C[C@@H](CN(C3)C)c4ccccc4	HAF	tert-butyl 3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
+CCCCC[C@@H]1[C@H](C[C@@H](O1)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	HAG	4-s-glutathionyl-5-pentyl-tetrahydro-furan-2-ol
+c1ccc(c(c1)CN[C@@H]2C=C[C@H]([C@@H]([C@H]2O)O)O)O	HAH	(1s,2s,3r,6r)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol
+C1CCC(CC1)[NH3+]	HAI	cyclohexylammonium ion
+c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N	HAJ	5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)Nc6cncnc6	HAK	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-pyrimidin-5-yl-pyridine-4-carboxamide
+c1ccc(cc1)CCNC(=O)CO[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)CCCC(=O)O)O	HAL	n-{[2-({[1-(4-carboxybutanoyl)amino]-2-phenylethyl}-hydroxyphosphinyl)oxy]acetyl}-2-phenylethylamine
+c1c(nc[nH]1)C[C@@H](C(=O)O[P@](=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[NH3+]	HAM	histidyl-adenosine monophosphate
+Cc1cc2c(cc1C)n(c(n2)N)CCCCC(=O)O	HAN	2-amino-5,6-dimethyl-benzimidazole-1-pentanoic acid
+COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O	HAO	{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC	HAP	(n-(2-hydroxamatemethylene-4-methyl-pentoyl)phenylalanyl)methyl amine
+c1cc2c3c(c1)C[C@H](N3C(=O)[C@H](CC2)N)C(=O)O	HAQ	5-amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indole-2-carboxylic acid
+C(C[C@@H](C(=O)O)N)CNC(=N)NO	HAR	n-omega-hydroxy-l-arginine
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=CC6=[N]7[Fe@]3(N45)[N]8=C(C=C7C(=C6CCC(=O)O)C=O)C(=C(C8=C2)[C@H](CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)O)C)CCC(=O)O)C	HAS	heme-as
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)N[C@H]6CCN(C6)C	HAT	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-[(3~{s})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
+Cc1ccc(nc1)NC(=O)C2CCN(CC2)C(=O)C	HAU	1-acetyl-n-(5-methylpyridin-2-yl)piperidine-4-carboxamide
+CC(C)[C@H](C(=O)NO)N	HAV	hydroxyaminovaline
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5ccccc5S(=O)(=O)NCc6cncnc6	HAW	2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(pyrimidin-5-ylmethyl)benzenesulfonamide
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)NO)O	HAX	n-hydroxyamidocarboxymethyldethia coenzyme *a
+C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C	HAY	(2r)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+C[C@]12CCC[N@@+]([C@@H]1CCC3([C@H]2O3)C)(CC(=O)Nc4ccc(cc4)NC(=O)CCCC(=O)O)[O-]	HAZ	4-{4-[2-(1a,7a-dimethyl-4-oxy-octahydro-1-oxa-4-aza-cyclopropa[a]naphthalen-4-yl) -acetylamino]-phenylcarbamoyl}-butyric acid
+C1CC(CCC1CO)O	HB0	trans-4-(hydroxymethyl)cyclohexanol
+c1ccc2c(c1)-c3c4c(c5c6c3[NH]2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7[CH]8=C9=[CH]12)C#O)C(=O)NC4=O	HB1	ruthenium-pyridocarbazole-1
+CCCCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N	HB2	1-(4-amino-2-butyl-1h-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
+c1nc([nH]n1)SCCN	HB3	2-(1h-1,2,4-triazol-5-ylsulfanyl)ethanamine
+c1cc2c(cc1c3c4cc[nH]c4ncn3)[C@H](CC2)NC=N	HB4	n-[(1s)-6-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]imidoformamide
+[H]/N=C/[C@]1(C[C@@H]1c2ccc(cc2)c3ccc(cc3)S(=O)(=O)N4CCN(CC4)C)NC(=O)[C@H](Cc5cccs5)N	HB5	(2~{s})-2-azanyl-~{n}-[(1~{r},2~{r})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide
+CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NCc3ccccc3	HB7	n-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-n-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide
+[B-](c1cc2cccc(c2s1)NC(=O)OC(C)(C)C)(O)(O)O	HB8	[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
+c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCO	HB9	~{n}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide
+c1cc(ccc1C=O)O	HBA	p-hydroxybenzaldehyde
+CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)c3ccccc3	HBB	n-{(2r)-2-hydroxy-2-[(8s,11s)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-n-isopentylbenzenesulfonamide
+c1ccc(cc1)[C@@H]2[C@H]3CC[C@H](C3)[C@@]2(C(=O)c4ccccc4)N	HBC	(2-amino-3-phenyl-bicyclo[2.2.1]hept-2-yl)-phenyl-methanone
+c1cc(ccc1C(=O)N)O	HBD	4-hydroxybenzamide
+C([C@@H]1[C@@H]([C@@H]([C@H](C2[C@H]1O2)O)O)O)O	HBE	(2~{r},3~{s},4~{s},5~{r},6~{s})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC=CC34C5=C6[Fe]5378913(C6=C74)[c-]4c8c9c1c43)NC(=O)N2	HBF	ferrocene homobiotin derivative
+Cc1cc(cc(c1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NC3CCCCC3)C	HBG	n-[2-(cyclohexylamino)-2-oxoethyl]-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide
+CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)CC(=O)N)O)S(=O)(=O)c3ccccc3	HBH	2-[(8s,11s)-11-{(1r)-1-hydroxy-2-[isopentyl(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide
+C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O	HBI	7,8-dihydrobiopterin
+Cc1ccc(cc1)NC(=O)CN(Cc2ccc(cc2)C(=O)NO)C(=O)c3ccc(cc3)N(C)C	HBJ	4-(dimethylamino)-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-n-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide
+COc1ccc2c(c1)O[C@@H](C(=O)N2O)O	HBK	(2s)-2,4-dihydroxy-7-methoxy-2h-1,4-benzoxazin-3(4h)-one
+C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O	HBL	7,8-dihydro-l-biopterin
+CS(=O)(=O)Nc1ccc(cc1)CCNC(=O)c2ccc(c3c2[nH]c(n3)c4ccc(cc4Cl)Cl)O	HBM	2-(2,4-dichloro-phenyl)-7-hydroxy-1h-benzoimidazole-4-carboxylic acid [2-(4-methanesulfonylamino-phenyl)-ethyl]-amide
+c1ccc2cc(ccc2c1)NC(=O)C(Cc3cnc[nH]3)N	HBN	n-(2-naphthyl)histidinamide
+COc1ccc2c(c1)O[C@H](C(=O)N2O)O	HBO	2,4-dihydroxy-7-(methyloxy)-2h-1,4-benzoxazin-3(4h)-one
+c1cc[n+](c(c1)\C=N\O)CCCCCCC[n+]2ccccc2\C=N\O	HBP	1,7-heptylene-bis-n,n'-syn-2-pyridiniumaldoxime
+CC[C@H]1C(=O)Nc2ccc(cc2N1C(=O)OC(C)C)F	HBQ	isopropyl (2s)-2-ethyl-7-fluoro-3-oxo-3,4-dihydroquinoxaline-1(2h)-carboxylate
+C[C@H](C(=O)C)O	HBR	r,3-hydroxybutan-2-one
+C[C@@H](C(=O)C)O	HBS	s,3-hydroxybutan-2-one
+C[C@H]1CCc2c(sc(c2C(=O)N)NC(=O)c3ccccc3[N+](=O)[O-])C1	HBT	(6s)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+C[P@](=O)(CC(=O)CC(=O)O)O	HBU	4-[hydroxy-[methyl-phosphinoyl]]-3-oxo-butanoic acid
+CN(Cc1ccc(cc1F)C(=O)NO)CC23CC4CC(C2)CC(C4)C3	HBV	3-fluoro-n-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide
+CNC(=O)[C@@H]1CCCN1S(=O)(=O)c2ccc(c(c2Cl)COc3cccc4c3nc(cc4n5ccnc5)C(F)(F)F)Cl	HBW	(2~{s})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{n}-methyl-pyrrolidine-2-carboxamide
+c1ccc(cc1)C=O	HBX	benzaldehyde
+CC(C)OC(=O)N1c2cc(ccc2NC(=S)[C@@H]1CSC)OC	HBY	(s)-4-isopropoxycarbonyl-6-methoxy-3-methylthiomethyl-3,4-dihydroquinoxalin-2(1h)-thione
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	HBZ	n-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)C=O	HC0	2 iron/2 sulfur/6 carbonyl/1 water inorganic cluster
+C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)[OH2]	HC1	2 iron/2 sulfur/5 carbonyl/2 water inorganic cluster
+CC(C)CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O	HC2	20-hydroxycholesterol
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	HC3	25-hydroxycholesterol
+c1cc(ccc1\C=C\C(=O)O)O	HC4	4'-hydroxycinnamic acid
+CCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	HC5	(r)-3-carboxy-2-(hexanoyloxy)-n,n,n-trimethylpropan-1-aminium
+C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)[C@]4(C[N+](CCO4)(C)C)O)O)C	HC6	(2s,2's)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium)
+C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)C(=O)C[N+](C)(C)CCOP(=O)(O)O)O)C	HC7	(2s)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium
+CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC	HC8	1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O	HC9	(3alpha,8alpha,22r)-cholest-5-ene-3,22-diol
+C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O	HCA	3-hydroxy-3-carboxy-adipic acid
+CC1=C2[C@]([C@H]([C@H]3N2[Co]45[N+]6=C1[C@H](C(C6=CC7=[N+]4C(=C(C8=[N+]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@@](=O)([O-])O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)O)CO	HCB	5-hydroxybenzimidazolylcobamide
+c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O	HCC	2',4,4'-trihydroxychalcone
+CC(C)CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O	HCD	(3alpha,8alpha)-cholest-5-ene-3,20-diol
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCC[C@@H](C(=O)O)N	HCE	{(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-l-methionine
+C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)NCC(=O)O	HCG	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-glycine
+[B-](c1cc2cccc(c2s1)C(=O)O)(O)(O)O	HCH	(7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide
+c1ccc(cc1)CCC(=O)O	HCI	hydrocinnamic acid
+c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)OC[C@@H]3CN4C=CC(=O)N=C4O3	HCJ	(2s)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7h-[1,3]oxazolo[3,2-a]pyrimidin-7-one
+COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3)C(=O)O	HCK	4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid
+c1c(cc(c(c1[C@@H](C(=O)O)N)Cl)O)O	HCL	(2s)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid
+CSSCC[C@@H](C(=O)O)N	HCM	(2s)-2-amino-4-(methyldisulfanyl)butanoic acid
+C1OC[S@H]2[Fe]3([S@@H]1[Fe]2(C3=O)(C=O)(C#N)[OH2])(C=O)C#N	HCN	2 iron/2 sulfur/3 carbonyl/2 cyanide/water/methylether cluster
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C(=C)O)C)C)CCC(=O)O	HCO	2-acetyl-protoporphyrin ix
+Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2(CCCC2)P(=O)(O)O)O	HCP	1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]cyclopentylphosphonic acid
+[B-](c1cc2cc(ccc2s1)CN)(O)(O)O	HCQ	[5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C	HCR	7-hydroxycholesterol
+C(CS)[C@@H](C(=O)O)N	HCS	2-amino-4-mercapto-butyric acid
+C(CC(=O)O)[C@H](CC(=O)O)C(=O)O	HCT	(2r)-butane-1,2,4-tricarboxylic acid
+c1nc2c(n1CC[C@H](CO)COP(=O)(O)O)NC(=NC2=O)N	HCU	[(2r)-4-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate
+CC(C)[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N	HCV	n-[(5s)-5-amino-5-carboxypentanoyl]-l-homocysteyl-d-valine
+C/C(=N\NC1=NCCN1)/c2ccc(cc2)NC(=O)Nc3ccc(cc3)/C(=N/NC4=NCCN4)/C	HCW	1,3-bis{4-[(1e)-n-(4,5-dihydro-1h-imidazol-2-yl)ethanehydrazonoyl]phenyl}urea
+C1[C@H]2[C@@H]1[C@@H]([C@H](C2)O)CO[P@@H](=O)O	HCX	(south) bicyclo[3.1.0]hexane
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O	HCY	(11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione
+c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2	HCZ	6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+CCCSc1c(ccc(n1)N2CCN(CC2)C)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O	HD1	6-(4-methylpiperazin-1-yl)-n-[(1r,3s)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide
+c1c(c(nc(n1)N[C@H]2CCOC2)C3CCCC3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O	HD2	4-cyclopentyl-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-2-[[(3s)-oxolan-3-yl]amino]pyrimidine-5-carboxamide
+c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	HD3	2-azanyl-7-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3h-pyrrolo[2,3-d]pyrimidin-4-one
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@H](COP(=O)(O)O)O)O)CO)O)O	HD4	4-o-[2-acetamido-2-deoxy-beta-d-glucopyranosyl]-1-o-phosphono-d-ribitol
+B(c1cc2cc(ccc2s1)CN)(O)O	HD5	[5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid
+CCCCCCCCCCCCCCCCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	HD6	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{s})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	HD9	(2r,3r,4s,5r)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
+C(C(=O)O)N(C=O)O	HDA	hadacidin
+[H]/N=C(/N)\NCc1ccc(cc1)B2OC[C@H](O2)CO	HDB	(r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine
+CCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	HDC	3r-hydroxydecanoyl-coenzyme a
+Cc1c2n3c(c1CCC(=O)O)C=C4[C@]5(CCC(=O)O5)[C@@](C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C2)C(=C(C9=C8)C=C)C)C)C=C)(C)O	HDD	cis-heme d hydroxychlorin gamma-spirolactone
+CCc1c(c2n3c1Cc4c(c(c5n4[Fe]36n7c(c(c(c7C=C8N6C(=C5)[C@@]9([C@@]8(C)O)CCC(=O)O9)C)CC)C2)CCC(=O)O)C)C	HDE	cis-heme d hydroxychlorin gamma-spirolactone 17r, 18s
+c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@H]([C@@H]([C@H](CO)O)O)O	HDF	8-hydroxy-10-(d-ribo-2,3,4,5-tetrahydroxypentyl)-5-deazaisoalloxazine
+COc1ccc(cc1)CCNC(=O)[C@@H](CC[C@@H](C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)CNCc5ccccc5)N	HDG	(2r,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-n-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name)
+c1cc(ccc1C(=O)NN)O	HDH	4-oxidanylbenzohydrazide
+COC(=O)C[C@H]1CC(=NO1)c2ccc(cc2)O	HDI	3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazole-acetic acid methyl ester
+Cc1cc(c(c(c1)F)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CF)F	HDJ	(2r,3s,4r)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile
+[C@@H]([C@@H](C(=O)NO)O)([C@@H](C(=O)O)O)O	HDL	d-arabinohydroxamic acid
+Cc1c2n3c(c1CCC(=O)OC)C=C4C(=C(C5=Cc6c(c(c7n6[Fe]3(N54)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)CCC(=O)OC	HDM	dimethyl propionate ester heme
+CN=N	HDN	methylhydrazine
+CCCCCCCCC(=O)CCCO	HDO	1-hydroxydodecan-4-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](C=C2)COP(=O)(O)O)O	HDP	[(1s,6s)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+[B-](CCC[C@H]1CN(C[C@]1(C(=O)O)N)C[C@@H]2CCCCN2)(O)(O)O	HDQ	3-[(3~{s},4~{r})-4-azanyl-4-carboxy-1-[[(2~{s})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide
+CCCCCCCCCCCCCCCC[S@](=O)O	HDR	hexadecane-1-sulfinic acid
+CCCCCCCCCCCCCCCCS(=O)(=O)O	HDS	1-hexadecanosulfonic acid
+c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N	HDT	4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
+Cc1c(n2ccccc2n1)c3ccnc(n3)NC(=O)C	HDU	n-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]acetamide
+Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N	HDV	9-{2-deoxy-2-fluoro-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-2-me thyl-9h-purin-6-amine
+C(CCCCCCCc1n[nH]nn1)CCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CSCCO)C(=O)O)C(=O)O)C(=O)O	HDW	(2~{s})-6-[2-(2-hydroxyethylsulfanyl)ethanoylamino]-2-[2-[2-[2-[[(4~{r})-5-oxidanyl-5-oxidanylidene-4-[[(4~{s})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{h}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid
+C1=CN(C(=O)C(=C1CCOP(=O)(O)O)O)CP(=O)(O)O	HDX	({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2h)-yl}methyl)phosphonic acid
+Cc1c(n2ccccc2n1)c3ccnc(n3)Nc4ccc(cc4)OC[C@H](CN(C)C)O	HDY	1-(dimethylamino)-3-(4-{{4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol
+N#N	HDZ	nitrogen molecule
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)CCCC[C@@H](C(=O)O)NC(=O)CN)C(=O)O)C	HE0	(2r,4s)-2-[(1r)-1-{[(6s)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1ccc(c(c1)O)SCC\C=C\P(=O)(O)O	HE1	4-(2-hydroxyphenylthio)-1-butenylphosphonic acid
+CCCCCCO	HE2	hexan-1-ol
+Cc1ncc2c(n1)N[C@]3([N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C)[C@H](C)O	HE3	2-hydroxyethyl dihydrothiachrome diphosphate
+CCCCCCCO	HE4	heptan-1-ol
+Cc1cc2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Zn@@]3(N45)N8C(=C7)CC(C8=C2)C)C)CCC(=O)OC)CCC(=O)OC)C	HE5	zinc(ii)-deuteroporphyrin dimethylester
+Cc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C(=O)O)C)C(=C(C7=C2)C)C(=O)O)C)C)C	HE6	6,7-dicarboxyl-1,2,3,4,5,8-hexamethylhemin
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)O	HE7	4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
+[B-](CCC[C@H]1CNC[C@]1(C(=O)O)N)(O)(O)O	HE8	3-[(3~{s},4~{r})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide
+COC(=O)c1ccc(c(c1)O)O	HE9	methyl 3,4-bis(oxidanyl)benzoate
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C)CCC(=O)O)C	HEA	heme-a
+CCC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C)C)C	HEB	heme b/c
+CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C	HEC	heme c
+C(CSSCCO)O	HED	2-hydroxyethyl disulfide
+CCCCCC[P@](=O)(O)OCC	HEE	n-hexylphosphonate ethyl ester
+CC1=C(N(C(=O)NC1=O)COCCO)Sc2ccccc2	HEF	1-(2-hydroxyethyloxymethyl)-6-phenyl thiothymine
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mg@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C	HEG	protoporphyrin ix containing mg
+Cc1cc2c(c3c1C(=O)C=C(O3)[C@]4([C@@H](O4)[C@H]5[C@@H](O5)C)C)C(=O)c6c(c(cc(c6O)[C@H]7C[C@]([C@@H]([C@@H](O7)C)O)(C)[NH+](C)C)[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)[NH+](C)C)C2=O	HEH	hedamycin
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2N3CCC(CC3)C(=O)O	HEI	1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N	HEJ	9-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-9h-purin-6-amine
+CC(=O)NCC(=O)N[C@@H](Cn1cc(nn1)c2cc(cc(c2)C(=O)O)c3cn(nn3)C[C@@H](C(=O)NCC(=O)NCC(=O)N)N)C=O	HEK	3-[1-[(2~{s})-2-(2-acetamidoethanoylamino)-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]-5-[1-[(2~{s})-2-azanyl-3-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]benzoic acid
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])C(=O)[O-])C	HEL	(2s,5r,6r)-6-{[(6r)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O	HEM	protoporphyrin ix containing fe
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\CP(=O)(O)O)/C(=O)O)O	HEN	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-imino]-5-phosphono-pent-3-enoic acid
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)[C@H](CC/C=C(/C)\CCC=C(C)CCC=C(C)C)O	HEO	heme o
+CCCC[C@H](NC(=O)CCC(=O)O)[P@@](=O)(O)Oc1ccccc1	HEP	phenyl[1-(n-succinylamino)pentyl]phosphonate
+CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C	HEQ	3-[18-(4-hydroxy-2,6,6-trimethyl-cyclohex-1-enyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15, 17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-enone
+COc1cc(c2c(c1)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O)O	HER	7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one
+CC=C1C(=C2C=C3C(=CC)C(=C4N3[Zn]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C	HES	zinc substituted heme c
+CP(=O)(C)c1ccc(cc1)Nc2c3c(nc(n2)C4CCCC4)n(cn3)CCc5cccc(c5)O	HET	3-[2-(2-cyclopentyl-6-{[4-(dimethylphosphoryl)phenyl]amino}-9h-purin-9-yl)ethyl]phenol
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)CCO)COP(=O)(O)O)O	HEU	3-(2-hydroxyethyl)-2'-deoxyuridine-5'-monophosphate
+CC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8C)CCC(=O)O)C(=C(C7=C5)C=C)C=C)C=C)C=C)CCC(=O)O	HEV	5,8-dimethyl-1,2,3,4-tetravinylporphine-6,7-dipropionic acid ferrous complex
+c1cnc(cc1Br)N	HEW	4-bromanylpyridin-2-amine
+CCCCCC	HEX	hexane
+Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CCP(=O)(O)O)/C(=O)O)O	HEY	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-phosphonopent-2-enoic acid
+C(CCCO)CCO	HEZ	hexane-1,6-diol
+COc1cc(c2c(c1)O[C@H]([C@@H](C2=O)O)c3cc(c(c(c3)O)O)O)O	HF0	(2s,3s)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one
+c1cc(c(cc1F)SCCC=CP(=O)(O)O)O	HF1	4-(2-hydroxy-4-fluorophenylthio)-butylphosphonic acid
+c1ccc(cc1)C[C@H](C(=O)O)O	HF2	(2r)-2-hydroxy-3-phenylpropanoic acid
+O[Hf]123(OP4(=O)O[Hf]5(O1)(O2[Hf](O4)(O3)(O5)(O)(O)O)(O)O)O	HF3	smallest hf-oxo-phosphate cluster hf3
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	HF4	4-amino-1-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}pyrimidin-2(1h)-one
+O[Hf]1(O[Hf]23(O[Hf]45(O[Hf]6(O1)(O2)([O@]4[Hf](O3)(O5)(O6)(O)(O)O)O)(O)O)(O)O)(O)(O)O	HF5	hf oxo cluster hf5
+COC(=O)/C=C/c1ccc(cc1)O	HF6	methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
+Cc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N	HF7	2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate)
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)O)O)O)O)O	HF8	[(1~{s},2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate
+COC(=O)c1ccc(cc1O)O	HF9	methyl 2,4-bis(oxidanyl)benzoate
+c1ccc(cc1)C[C@@H](C(=O)O)O	HFA	alpha-hydroxy-beta-phenyl-propionic acid
+c1(c(c(c(c(c1F)F)F)F)F)F	HFB	hexafluorobenzene
+c1c2c(cc(c1O)O)OC(=O)C=C2	HFC	6,7-bis(oxidanyl)chromen-2-one
+c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N	HFD	2-fluoro-9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-9h-purin-6-a mine
+c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O	HFG	7-bromo-6-chloro-3-{3-[(2r,3s)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3h)-one
+CC(C)C[C@@H](C(=O)N1C[C@@H]([C@@H]2[C@H]1[C@H](CO2)O)F)NC(=O)c3ccc(cc3)c4csc(n4)N5CCN(CC5)C	HFH	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{s},6~{a}~{s})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
+c1ccc2c(c1)nc(o2)NC3=NC4(CCCCC4)C5=C(N3)CCCC5=O	HFK	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one
+COc1cc(cc(c1O)O)\C=C\C(O)O	HFL	5-(3,3-dihydroxypropeny)-3-methoxy-benzene-1,2-diol
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(=CO)C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C)C)CCC(=O)O	HFM	2-formyl-protoporphryn ix
+Cc1c(c(n(n1)CC(CO)(F)F)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4	HFN	6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1h-pyrazol-4-yl]-2h-1,4-benzoxazin-3(4h)-one
+CC(=O)c1ccc(c(c1)O)O	HFO	1-[3,4-bis(oxidanyl)phenyl]ethanone
+CC(C)CCCC(C)CCCC(C)C[C@@H](O)P(=O)(O)O	HFP	alpha-hydroxyfarnesylphosphonic acid
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4O)O)O	HFQ	2,4-dihydroxyphenacyl coenzyme a
+c1cc(cc(c1)Br)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	HFR	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl n-[(3s)-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate
+c1cc2c(ccnc2O)c(c1)S(=O)(=O)[N@]3CCCNCC3	HFS	1-(1-hydroxy-5-isoquinolinesulfonyl)homopiperazine
+CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O	HFT	hydroxyflutamide
+Cc1cc-2n3c1C(=O)NC=C3CN(c4c2cc(cc4)CS(=O)(=O)C)C(=O)c5cccc6c5cccc6	HFU	5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2h)-one
+C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)N[C@@H](C(C(F)(F)F)C(F)(F)F)C(=O)O	HFV	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-l-3,3,3,3',3',3'-hexafluorovaline
+	HFW	dawson-type polyoxometalate
+CS(=O)c1c2c(c(s1)Cl)CCCC2=O	HFX	1-chloranyl-3-methylsulfinyl-6,7-dihydro-5h-2-benzothiophen-4-one
+c1ccc(c(c1)CNc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl	HFY	8-{[(2-chlorophenyl)methyl]amino}adenosine
+c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F	HFZ	6-(trifluoromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+[Hg+2]	HG	mercury (ii) ion
+CC(C)c1ccc(cc1S(=O)(=O)C)C(=O)N=C(N)N	HG0	n-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide
+C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	HG1	1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-d-glucitol
+Br[Hg]Br	HG2	dibromomercury
+C([C@H](C(O)O)O)OP(=O)(O)O	HG3	[(2~{r})-2,3,3-tris(oxidanyl)propyl] dihydrogen phosphate
+CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2CCCCn4c5ccc(cc5nc4NC(=O)c6cc(nn6CC)C)C(=O)N)C(=O)N	HG4	1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1h-pyrazole-5-carbonyl)amino]-1h-benzimidazole-5-carboxamide}
+CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3ccccc3)Nc4ccc(cc4OCC)C5CCN(CC5)C)C	HG5	(7~{r})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{h}-pteridin-6-one
+c1ccc2c(c1)C(=O)c3cc(cc(c3C2=O)Cl)C(=O)O	HG6	4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
+CN(C)CCCNC(=O)[C@H](c1cccc(c1)O)N	HG7	(2s)-2-azanyl-n-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide
+CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3cc(cs3)C)Nc4ccc(cc4OCC)C5CCN(CC5)C)C	HG8	(7~{r})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{h}-pteridin-6-one
+CCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O	HG9	1-deoxy-1-[(2-hydroxyethyl)(nonanoyl)amino]hexitol
+C(CC(=O)NO)[C@@H](C(=O)O)N	HGA	glutamine hydroxamate
+c1cc(ccc1C(=O)O)[Hg]O	HGB	4-(hydroxymercury)benzoic acid
+C[Hg+]	HGC	methyl mercury ion
+C(CC(=O)N[C@@H](CS[Hg]SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	HGD	mercury bis(l-gamma-glutamyl-3-sulfido-l-alanylglycine)
+CCOC(=O)C1CCN(CC1)c2cnccn2	HGE	ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate
+COCCOc1cc(cnc1)c2cc3c(ccc4c3[nH]c5c4C(=O)NCC5)cn2	HGF	2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7h-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](CC(=O)O)O)O	HGG	(3r,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
+c1cc(cc(c1)Oc2c3c([nH]cn3)nc(n2)N)CC(=O)O	HGH	2-[3-[(2-azanyl-9~{h}-purin-6-yl)oxy]phenyl]ethanoic acid
+I[Hg]I	HGI	mercury (ii) iodide
+CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2C[C@@H](c4ccccc4)O)C(=O)N	HGJ	2-[(1-ethyl-3-methyl-1h-pyrazole-5-carbonyl)amino]-1-[(2r)-2-hydroxy-2-phenylethyl]-1h-benzimidazole-5-carboxamide
+c1cc(ccc1CC(=O)O)OC2=CC=NC(=O)C2	HGK	2-[4-[(2-oxidanylidene-3~{h}-pyridin-4-yl)oxy]phenyl]ethanoic acid
+c1nc2c(n1CC[C@@H](C(=O)O)N)N=C(NC2=O)N	HGL	(2s)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)butanoic acid
+CN[C@H](c1ccc(cc1)O)C(=O)O	HGM	(2r)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid
+[Hg][Hg]	HGN	mercuriomercury
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	HGP	(1-hexadecanoyl-2-tetradecanoyl-glycerol-3-yl) phosphonyl choline
+C1=CNC(=O)C=C1Br	HGQ	4-bromanyl-1~{h}-pyridin-2-one
+C/C(=C\C1=CC(=O)C(=CC1)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@@H]([C@H]([C@@H]4[C@H]([C@@H]3O)OCO4)O)O	HGR	hygromycin a
+C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H](C(=O)O)N	HGS	d-gamma-glutamyl-l-cysteinyl-beta-alanine
+C(CO[Sn](O)(O)O)N[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)N	HGT	(2-((2r,3s,4r,5s,6s)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-ylamino)ethoxy)stannanetriol
+C(=N)(N)NO	HGU	n-hydroxyguanidine
+C[C@@H](P(=O)(O)O)P(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O	HGV	2'-deoxy-5'-o-[(r)-hydroxy({(r)-hydroxy[(1s)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]adenosine
+c1c(cncn1)I	HGW	5-iodanylpyrimidine
+CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C	HGX	1-heptadecanoyl-2-tridecanoyl-3-glycerol-phosphonyl choline
+[C@H](C(=O)O)(N)O	HGY	(2s)-amino(hydroxy)ethanoic acid
+CC1=CC(=O)Nc2c1cc(c(c2OC)OC)OC	HGZ	6,7,8-trimethoxy-4-methylquinolin-2(1h)-one
+C[C@@H](C(=O)N[C@@H](C)C(=O)OC)NC(=O)[C@H](Cc1ccccc1)O[P@](=O)([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	HH0	methyl n-[(2s)-2-({(s)-hydroxy[(1r)-3-methyl-1-{[n-(3-methylbutanoyl)-l-valyl-l-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-l-alanyl-l-alaninate
+c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@@H]3C[C@@H](c4c3cccc4)CC(=O)N)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6	HH1	(3s)-tetrahydrofuran-3-yl (1r)-3-{(2r)-4-[(1s,3s)-3-(2-amino-2-oxoethyl)-2,3-dihydro-1h-inden-1-yl]-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl}-1-benzyl-2-hydroxypropylcarbamate
+c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O	HH2	6-hydroxymethylpterin-diphosphate
+c1ccc(cc1)C(=O)N[C@H](C(=O)O)O	HH3	(2s)-hydroxy[(phenylcarbonyl)amino]ethanoic acid
+CC(C)(C)c1ccc(cc1)C(=O)CCC(=O)O	HH4	4-(4-tert-butylphenyl)-4-oxobutanoic acid
+c1[nH]c2c(n1)nc(nc2I)N	HH5	6-iodanyl-7~{h}-purin-2-amine
+c1cc(ccc1c2c3ccc(cc3[nH]n2)O)O	HH6	3-(4-hydroxyphenyl)-1h-indazol-6-ol
+c1cc(c(cc1Cl)Cl)OCCCNc2[nH]ccn2	HH7	n-[3-(2,4-dichlorophenoxy)propyl]-1h-imidazol-2-amine
+c1cc2c(ccnc2nc1)Br	HH8	4-bromanyl-1,8-naphthyridine
+c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O	HH9	4-chloranyl-9-oxidanylidene-xanthene-2-carboxylic acid
+C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O	HHA	(2s,3s)-trans-2,3-dihydro-3-hydroxyanthranilic acid
+c1cc(cc(c1)Nc2ccncn2)CC(=O)O	HHB	2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid
+c1cnc(cc1C(=O)NC[C@H](C(=O)N)N)C2=N[C@@H](CS2)C=O	HHC	~{n}-[(2~{r})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{r})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide
+C(C[C@@H](CC(=O)O)O)CC(=O)O	HHD	(3s)-3-hydroxyheptanedioic acid
+CC[C@H](C[C@@H]([C@H](CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O	HHE	(2r,4s,5s)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-n-[(1r,2s,3s,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide
+c1ccc(cc1)C2=C(C(=O)c3ccc(cc3O2)O)O	HHF	3,7-dihydroxy-2-phenyl-4h-chromen-4-one
+CCCCCC(=O)OC[C@@H](COP(=O)(O)O)O	HHG	(2r)-2-hydroxy-3-(phosphonooxy)propyl hexanoate
+c1cc(ccc1[C@@H](C(=O)O)O)O	HHH	(2s)-hydroxy(4-hydroxyphenyl)ethanoic acid
+[H]/N=C(/Cc1cnc[nH]1)\C(=O)O	HHI	(2z)-3-(1h-imidazol-5-yl)-2-iminopropanoic acid
+c1ccc2c(c1)c(c[nH]2)CCNC(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4NC(=NC5=O)N)O)O	HHJ	5'-o-{[2-(1h-indol-3-yl)ethyl]carbamoyl}guanosine
+C(CCCN)CC[C@@H](C(=O)O)N	HHK	(2s)-2,8-diaminooctanoic acid
+Cc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)NC(=O)C(=C)F	HHL	n-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide
+c1cc(cc(c1)C(=O)NCc2cc(cc(c2)Cl)Cl)Cn3ccnc3	HHM	n-[(3,5-dichlorophenyl)methyl]-3-[(1h-imidazol-1-yl)methyl]benzamide
+c1c(cncn1)Br	HHN	5-bromanylpyrimidine
+C(CCCCO)CCCNCO	HHO	1-(hydroxymethyleneamino)-8-hydroxy-octane
+C1C(=NC2=C(N1)N=C(NC2=O)N)CO	HHP	6-hydroxymethyl-7,8-dihydropterin
+C1C(=CC=NC1=O)I	HHQ	4-iodanyl-3~{h}-pyridin-2-one
+c1c(nc2c(n1)N=C(NC2=O)N)CO	HHR	6-hydroxymethylpterin
+c1c(nc2c(n1)N=C(NC2=O)N)C(=O)O	HHS	6-carboxypterin
+COc1cc(ccc1CC(=O)O)Br	HHT	2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid
+c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N	HHV	5-[(pyridin-3-ylmethyl)amino]-1h-pyrazole-4-carboxamide
+c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)/C=C/C(=O)O	HHW	(~{e})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid
+c1ccc(cc1)c2nnc(o2)CCC(=O)O	HHY	3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid
+c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCNC(=O)COCCO	HHZ	[[(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl	HI0	(r)-n-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide
+CC(C)(C)[C@@H](C(=O)N[N@](CCC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)Br)NC(=O)OC	HI1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate 
+Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)NS(=O)(=O)C4CC4)Cc5cc(ccc5F)F	HI3	n-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide
+CCc1ccc2c(c1)c(c(n2Cc3cc(ccc3F)[N+](=O)[O-])C(=O)O)C4=CC=CNC4=O	HI4	5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid
+CCCC(=O)OC[C@H](COP(O)(O)(O)O)OC(=O)CCC	HI5	2-(butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate
+c1cc[n+](c(c1)\C=N\O)COC[n+]2ccc(cc2)C(=O)N	HI6	4-(aminocarbonyl)-1-[({2-[(e)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium
+CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)/C=C/CO	HI9	(2e)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol
+c1c([nH]cn1)C[C@@H](C(=O)N)N	HIA	l-histidine amide
+Cc1c(c(c(c(c1I)O)OC)OC)C(=O)O	HIB	4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoic acid
+Cn1cc(nc1)C[C@@H](C(=O)O)N	HIC	4-methyl-histidine
+c1cc2c(cc1O)c(c[nH]2)CC(=O)O	HID	(5-hydroxy-1h-indol-3-yl)acetic acid
+CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C	HIE	4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide
+CCc1c(c2n3c1C=C4[C@](C(=O)C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)(C)CC)C	HIF	fe(iii)-(4-mesoporphyrinone)
+CCc1nc2c(cc(nc2n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C)C	HIG	2-ethyl-5,7-dimethyl-3-{(1s)-5-[2-(1h-tetrazol-5-yl)phenyl]-2,3-dihydro-1h-inden-1-yl}-3h-imidazo[4,5-b]pyridine
+C[C@@H](Cc1csc(n1)N)C=O	HII	2-methyl-3-(2-aminothiazolo)propanal
+CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)CCCO	HIK	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol
+C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)CCCl)NC(=O)C	HIN	(2s) n-acetyl-l-alanyl-alphal-phenylalanyl-chloroethylketone
+CC(C)N(C(=O)C(=O)O)O	HIO	n-hydroxy-n-isopropyloxamic acid
+c1c(n(c[nH+]1)P(=O)(O)O)C[C@@H](C(=O)O)N	HIP	nd1-phosphonohistidine
+c1c(ncn1C(CO)(CO)O)C[C@@H](C(=O)O)N	HIQ	1-[1,2-dihydroxy-1-(hydroxymethyl)ethyl]-l-histidine
+c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N	HIS	histidine
+c1c([nH+]c[nH]1)C[C@@H](C(=O)[O-])[NH-]	HIS_LEO2	l-histidine c-terminal deprotonated fragment
+c1c([nH+]c[nH]1)C[C@@H](C(=O)O)[NH-]	HIS_LEO2H	l-histidine c-terminal protonated fragment
+c1c(nc[nH]1)C[C@@H](C(=O)O)[NH-]	HIS_LEO2H_DHD1	l-histidine-c-terminal protonated fragment/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H](C(=O)O)[NH-]	HIS_LEO2H_DHE2	l-histidine-c-terminal protonated fragment/with side chain deprotonated ne2
+c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH-]	HIS_LEO2_DHD1	l-histidine-c-terminal deprotonated fragment/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H](C(=O)[O-])[NH-]	HIS_LEO2_DHE2	l-histidine-c-terminal deprotonated fragment/with side chain deprotonated ne2
+c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N	HIS_LFOH	l-histidine free neutral
+c1c(nc[nH]1)C[C@@H](C(=O)O)N	HIS_LFOH_DHD1	l-histidine-free neutral/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H](C(=O)O)N	HIS_LFOH_DHE2	l-histidine-free neutral/with side chain deprotonated ne2
+c1c([nH+]c[nH]1)C[C@@H](C(=O)[O-])[NH3+]	HIS_LFZW	l-histidine free zwitterion
+c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH3+]	HIS_LFZW_DHD1	l-histidine-free zwitterion/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H](C(=O)[O-])[NH3+]	HIS_LFZW_DHE2	l-histidine-free zwitterion/with side chain deprotonated ne2
+c1c([nH+]c[nH]1)C[C@@H]([C-]=O)[NH-]	HIS_LL	l-histidine - linking embedded fragment
+c1c(nc[nH]1)C[C@@H]([C-]=O)[NH-]	HIS_LL_DHD1	l-histidine-linking embedded fragment/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H]([C-]=O)[NH-]	HIS_LL_DHE2	l-histidine-linking embedded fragment/with side chain deprotonated ne2
+c1c([nH+]c[nH]1)C[C@@H]([C-]=O)[NH3+]	HIS_LSN3	l-histidine n-terminal protonated fragment
+c1c(nc[nH]1)C[C@@H]([C-]=O)[NH3+]	HIS_LSN3_DHD1	l-histidine-n-terminal protonated fragment/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H]([C-]=O)[NH3+]	HIS_LSN3_DHE2	l-histidine-n-terminal protonated fragment/with side chain deprotonated ne2
+CC(C)C(C(=O)[C@H](C)C(=O)O)O	HIT	2-(alpha-hydroxyisovaleryl) propionic acid
+C[C@H](CO)C(=O)O	HIU	(2r)-3-hydroxy-2-methylpropanoic acid
+[H]/N=C\NCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	HIW	(2r,4s)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2h-pyrrole-5-ca rboxylic acid
+c1c([nH]nn1)C[C@@H](C(=O)O)N	HIX	3-(1h-1,2,3-triazol-5-yl)-l-alanine
+c1ccc(cc1)COC[C@H](c2csc(n2)NC(=O)Nc3ccc(c(c3)Cl)F)N	HIZ	1-{4-[(1s)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea
+Cc1cc(n[nH]1)NC(=O)c2cn(c3c2c(ncn3)N)C4(CC4)C	HJ0	4-azanyl-7-(1-methylcyclopropyl)-~{n}-(5-methyl-1~{h}-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
+c1cc(c(cc1CCNC(=O)CCN)O)O	HJ1	n-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)O)N)C(=O)O	HJ2	(2r)-2-[(r)-{[(6s)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)CCCC[C@@H](C(=O)O)N)C(=O)O)C	HJ3	(2r,4s)-2-[(1r)-1-{[(6s)-6-amino-6-carboxyhexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CC(C)(C)C)O)c5ccc(cc5)N(C)C	HJ4	(8s,11r,13s,14s,17s)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-3-one (non-preferred name)
+C#CC[C@H](CP(=O)([C@H](CCc1ccccc1)[NH3+])O)C(=O)N[C@@H](Cc2ccccc2)C(=O)[NH3+]	HJ5	[(1~{r})-1-[[(2~{s})-2-[[(2~{s})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium
+C(/C(=C/C(=O)C(=O)O)/C(=O)O)C(=O)O	HJ7	(2z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
+CCn1c(c(nn1)O)C[C@@H](C(=O)O)N	HJ8	(2~{s})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid
+B(c1cc(c(cc1C=O)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)OC)(O)O	HJ9	[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid
+C1CCC(CC1)CCCCOC(=O)N[C@@H](CN)C(=O)S	HJA	(2s)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic s-acid
+[B-]1(c2c(cccc2CCC(=O)O)CO1)(O)O	HJB	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid
+c1c([nH]cn1)CCNC(=O)CCN	HJD	n-[2-(1h-imidazol-5-yl)ethyl]-beta-alaninamide
+CC1(C[C@H](CO1)c2c(cn3c(n2)c(cn3)c4ccnc(c4)OC)OC)C	HJF	5-[(3s)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine
+CC(C)(c1cccn2c1nnc2C3(CC3)c4ccc(cc4)Cl)O	HJG	2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol
+Cn1nc(c(n1)O)C[C@@H](C(=O)O)N	HJH	(2~{s})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@@H](C(F)F)C(=O)O	HJI	(2r)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
+CC(=CCC/C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/C)C	HJJ	4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7h-furo[3,2-g][1]benzopyran-7-one
+c1cc(cc(c1)c2c3c([nH]cn3)nc(n2)N)CC(=O)O	HJK	2-[3-(2-azanyl-9~{h}-purin-6-yl)phenyl]ethanoic acid
+C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC1=C(C(=O)N=C(N1)N)N	HJL	[(2~{r},3~{s},4~{s})-5-[[2,5-bis(azanyl)-6-oxidanylidene-1~{h}-pyrimidin-4-yl]amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC	HJM	(5beta)-12-methoxyibogamine
+Cc1cc2c(cc1C)N(C3=C(N2C/C=C(/C)\CCC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	HJN	[(2~{r},3~{s},4~{s})-5-[5-[(2~{z})-3,7-dimethylocta-2,6-dienyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CC(=O)N[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H]([C@H](C(CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N	HJO	n-[(1r,2r,3r,4s,5s)-4-[(2r,3r,6s)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2r,3r,4r)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide
+CC1=CC(=O)C(=C(O1)C(=O)O)O	HJP	3-hydroxy-6-methyl-4-oxo-4h-pyran-2-carboxylic acid
+CN1CCN([C@@H](C1)CCN2CC[C@@H](C2)c3ccc(cc3)F)C	HJQ	(2~{r})-2-[2-[(3~{r})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine
+C[C@@]1(CO[C@@H](C[C@@H]1NC)O[C@@H]2[C@@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3CCC[C@H](O3)CN)N)NS(=O)(=O)C(F)(F)F)O	HJR	n-[(1r,2r,3r,4s,5r)-4-[(2r,6s)-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2r,4s,5r}-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide
+C(CS(=O)(=O)O)[C@@H](C(=O)O)N	HJT	(2~{s})-2-azanyl-4-sulfo-butanoic acid
+CN[C@H](CCC(=O)N)C(=O)O	HJV	n~2~-methyl-d-glutamine
+CCOC(=O)[C@H](C)N(c1c(cccc1Cl)C)C(=O)c2cccs2	HJW	ethyl (2~{s})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
+CCCCCCCCCCCCCCOc1cccc(c1C(=O)O)O	HJX	2-hydroxy-6-(tetradecyloxy)benzoic acid
+CN[C@H](Cc1ccc(cc1)I)C(=O)O	HJY	4-iodo-n-methyl-d-phenylalanine
+CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4	HJZ	3-[2-(trans-4-methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid
+COc1cc(ccc1[N+](=O)[O-])c2ccc3c(c2)Nc4c(cccc4OCCN5CCOCC5)NC3=O	HK0	3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
+COc1cc2c(cc1OC)-c3c(c([nH]n3)c4ccc(cc4)O)C2	HK1	4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol
+c1ccc(cc1)c2ccc(cc2)OCCCc3cn(nn3)CC4[C@H]([C@@H](C([C@H]([C@@H]4O)[O-])O)O)O	HK2	(1~{s},3~{s},4~{r},6~{r})-2,3,4,6-tetrakis(oxidanyl)-5-[[4-[3-(4-phenylphenoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexan-1-olate
+COC1=CC2=CC3=C(N=NC3=C2C=C1OC)c4ccc(cc4)c5ccc(cc5)O	HK3	4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol
+COc1cc(ccc1O)C#Cc2c3c(n[nH]2)-c4cc(c(cc4C3)OC)OC	HK4	4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol
+COc1cc-2c(cc1Cn3ccnc3)Cc4c2n[nH]c4c5ccc(cc5)C#N	HK5	4-[6-(1h-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile
+c1ccc2c(c1)C(=O)Nc3cc(ccc3N2)Cl	HK6	8-chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
+c1ccc(c(c1)c2ccc3c(c2)Nc4ccccc4NC3=O)C(=O)N	HK7	2-(11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-3-yl)benzamide
+c1cc2c(cc1CC(=O)O)NC(=O)c3ccc(cc3N2)Cl	HK8	(3-chloro-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid
+COc1cc(ccc1C(=O)O)c2ccc3c(c2)Nc4ccccc4NC3=O	HK9	2-methoxy-4-(11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid
+COc1cc(ccc1Oc2ccccc2)C(=O)O	HKA	3-methoxy-4-phenoxybenzoic acid
+CN(C)c1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O	HKB	~{n}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide
+COc1cc2c(cc1OC)-c3c(c(n[nH]3)c4ccc(cc4)c5[nH]nnn5)C2	HKC	6,7-dimethoxy-3-[4-(1h-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole
+CC1=C(C=C(C(=O)C(=C1)O)O)C(=O)O	HKD	4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
+C[C@@H](C(=O)OC(C)C)N(c1c(cccc1Cl)Cl)C(=O)c2ccco2	HKE	propan-2-yl (2~{s})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
+Cc1c(cccn1)Oc2cc(cnc2Nc3nc(ns3)C4CCN(CC4)C(=O)C)Sc5ccccn5	HKG	1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one
+CC(C)C[C@@H](C(=O)N1C[C@@H]([C@@H]2[C@H]1[C@H](CO2)O)F)NC(=O)c3ccc(cc3)c4cccs4	HKH	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{s},6~{a}~{s})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide
+CCOc1cc2c(cc1NC(=O)CCCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4	HKI	n-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide
+Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)N[C@@H](C)c4ccc(cn4)F)S(=O)(=O)C5COC5	HKJ	n-[(1s)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1h-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1h-pyrrolo[2,3-b]pyridin-6-amine
+CS(=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2	HKK	~{n}-[2-chloranyl-5-(3,6-dihydro-2~{h}-pyran-4-yl)pyridin-3-yl]methanesulfonamide
+CCC1=C(C2=Cc3c(c(c4n3[Fe]56[N]2=C1C=C7N5C8=C(CC(=O)C8=C7C)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC)C)C)C=C)C	HKL	fe(iii) pyropheophorbide-a methyl ester
+Cc1csc(n1)Nc2c(cccn2)Oc3ccccc3C#N	HKM	2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile
+Cc1nc(cn1Cc2ccccc2)S(=O)(=O)Nc3cc(cnc3OC)C4=CCOCC4	HKN	~{n}-[5-(3,6-dihydro-2~{h}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide
+CN[C@H]1[C@@H]([C@H](OC2[C@]1(C2)O)O[C@@H]3[C@@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H](CC[C@H](O4)CN)N)N)NS(=O)(=O)c5cccnc5)O	HKO	n-[(1r,2r,3r,4s,5r)-4-[(2r,3r,6s)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[[(3s,4s,5s,6r)-5-(methylamino)-4,6-bis(oxidanyl)-2-oxabicyclo[4.1.0]heptan-3-yl]oxy]-3-oxidanyl-cyclohexyl]pyridine-3-sulfonamide
+CN1c2cnc(nc2N([C@@H](C1=O)CC3CCCC3)C4CCCC4)Nc5cc(c(c(c5)Cl)O)Cl	HKP	(7r)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5h)-one
+c1ccc(cc1)c2cc(c(nc2)Cl)NS(=O)(=O)c3ccccc3	HKQ	~{n}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide
+CCCn1ccnc1C(=O)O	HKR	1-propylimidazole-2-carboxylic acid
+c1c(cc(c(c1O)O)SC[C@H](C(=O)O)N)C[C@@H](C(=O)O)N	HKS	3-{[(2s)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-l-tyrosine
+CNCc1cc(n(c1)S(=O)(=O)c2cccnc2)c3ccccc3F	HKT	1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{n}-methyl-methanamine
+CC(C)n1ccnc1C(=O)O	HKU	1-propan-2-ylimidazole-2-carboxylic acid
+C(CC(=O)O)C(=O)C=O	HKV	4,5-dioxopentanoic acid
+CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3C)(C)C)CCCCCC(=O)NCc5cn(nn5)C[C@H]6[C@H](C[C@@H]([C@H]([C@@H]6O)O)O)O)C	HKW	6-[3,3-dimethyl-2-[(1~{e},3~{e},5~{e})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{n}-[[1-[[(1~{s},2~{r},3~{r},4~{s},6~{s})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide
+CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)Br)N)S(=O)(=O)c3ccccc3	HKX	n-[6-amino-1-(3-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-n-methylbenzenesulfonamide
+c1cc2c(cc1C(=O)O)CCNC2	HKY	1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
+Cc1c(nc(n1c2c(cccc2Cl)Cl)c3ccco3)Cc4ccccc4	HKZ	1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole
+CCCCCCCCCC(=O)N[C@H]1CCOC1=O	HL0	n-[(3s)-2-oxotetrahydrofuran-3-yl]decanamide
+COc1cc2ccc3c(c2cc1OC)C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N	HL1	(2~{s},3~{r})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{h}-benzo[f]chromen-2-amine
+CC(C)[C@H]([C@@H](C(=O)O)N)O	HL2	(2s,3r)-2-amino-3-hydroxy-4-methylpentanoic acid
+CC[C@@H](C)n1ccnc1C(=O)O	HL3	1-[(2~{r})-butan-2-yl]imidazole-2-carboxylic acid
+CCCC(=O)N[C@H]1CCOC1=O	HL4	n-[(3s)-2-oxotetrahydrofuran-3-yl]butanamide
+C[C@H](C[C@@H](C(=O)O)N)CO	HL5	(2s,4r)-5-hydroxyleucine
+CCCCCC(=O)N[C@H]1CCOC1=O	HL6	n-[(3s)-2-oxotetrahydrofuran-3-yl]hexanamide
+CNC(=O)O[C@H]1CCC[C@@H]1[C@@]2(CN(Cc3c2cccc3)C)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)c7ccncc7	HL7	(1s,2r)-2-[(4s)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate
+Cc1c(nc(n1c2c(ccc(c2Cl)N3CC(C3)C(=O)O)Cl)c4ccc(o4)Cl)C(F)(F)F	HL8	1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid
+c1cnccc1N2CCC(CC2)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4	HL9	5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide
+C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H](CO2)O)O)C(=O)O	HLA	1,5-anhydro-4,6-o-[(1r)-1-carboxyethylidene]-d-galactitol
+CC1(c2ccccc2[N+](=C1C=CC=CC=C3C(c4ccccc4N3C)(C)C)CCCCC(=O)NCCCCCCCCN[C@@H]5C[C@H]([C@@H]([C@H]([C@H]5O)O)O)O)C	HLB	5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{n}-[8-[[(1~{r},2~{s},3~{s},4~{s},5~{r})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide
+c1cc(ccc1OCCCC(=O)N[C@H]2CCOC2=O)Cl	HLC	4-(4-chlorophenoxy)-n-[(3s)-2-oxotetrahydrofuran-3-yl]butanamide
+C1=C(OC(=CC1=O)C(=O)O)C(=O)O	HLD	4-oxo-4h-pyran-2,6-dicarboxylic acid
+CC(C)C[C@@H](C=O)[C@@H](C(=O)NO)O	HLE	3-formyl-2-hydroxy-5-methyl-hexanoic acid hydroxyamide
+C=CCCn1ccnc1C(=O)O	HLF	1-but-3-enylimidazole-2-carboxylic acid
+CC(=O)NCCCNCCCCN	HLG	n-{3-[(4-aminobutyl)amino]propyl}acetamide
+CCCCCCCC1=CC(=O)c2ccccc2N1	HLH	2-heptyl-1~{h}-quinolin-4-one
+CNC1=Nc2c(n(c(n2)c3ccc(cc3)P(=O)(O)O)CCOc4ccc(cc4)Cl)C(=O)N1	HLI	(4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1h-purin-8-yl}phenyl)phosphonic acid
+[H]/N=C/1\N(C=CN1Cc2cc(cc(c2)C(=O)NCc3ccc(c(c3)Cl)Cl)c4ccc(nc4C)F)C	HLJ	n-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2e)-2-imino-3-methyl-2,3-dihydro-1h-imidazol-1-yl]methyl}benzamide
+c1cc(ccc1CNc2cc(nc(c2)N)C(F)(F)F)F	HLK	~{n}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
+c1cn(c(n1)C(=O)O)CCn2ccnn2	HLL	1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid
+C[C@@H](c1cccc(c1)Cl)NC(=O)c2cccc(c2)CNC3=NCCN3	HLM	n-[(1s)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1h-imidazol-2-yl)amino]methyl}benzamide
+CCCCCCP(=O)(O)Oc1ccc2ccccc2c1	HLN	hexyl(naphthalen-2-yloxy)phosphinic acid
+c1c[n+](ccc1C(=O)N)COC[n+]2ccc(cc2\C=N\O)\C=N\O	HLO	1-[({2,4-bis[(e)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]-4-carbamoylpyridinium
+c1cc(oc1Cn2ccnc2)C(=O)O	HLP	5-[(1h-imidazol-1-yl)methyl]furan-2-carboxylic acid
+c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F	HLQ	~{n}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
+c1ccc2c(c1)c(no2)N	HLR	1,2-benzoxazol-3-amine
+COc1cc(cc(c1)OC)CNC(=O)c2ccc(c(c2)CNC3=NCCN3)F	HLS	3-{[(4,5-dihydro-1h-imidazol-2-yl)amino]methyl}-n-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide
+[C@@H](C(F)(F)F)(Cl)Br	HLT	2-bromo-2-chloro-1,1,1-trifluoroethane
+CC(C)[C@@H]([C@@H](C(=O)O)N)O	HLU	beta-hydroxyleucine
+c1ccc2c(c1)c3cc(ccc3o2)OCCN	HLV	2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine
+c1cc(cc(c1)Cl)CCCNCCc2ccnc(n2)n3ccnc3	HLW	3-(3-chlorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
+CC(C)CC[C@@H](C(=O)O)N	HLX	5-methyl-l-norleucine
+C[C@@](CC(=O)NCCCC[C@@H](C(=O)O)N)(CC(=O)O)O	HLY	(3~{r})-5-[[(5~{s})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid
+c1ccc2c(c1)cnnc2NN	HLZ	1-hydrazinophthalazine
+c1cn(c(n1)C(=O)O)C2CCC2	HM0	1-cyclobutylimidazole-2-carboxylic acid
+Cc1c(c(nc(n1)c2ccccn2)NCCc3ccccc3)Cl	HM2	5-chloro-6-methyl-n-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
+c1cnc(cc1Cl)CO	HM3	(4-chloropyridin-2-yl)methanol
+CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2nccs2	HM4	tert-butyl {2-[(1,3-thiazol-2-ylamino)carbonyl]pyridin-3-yl}carbamate
+CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2	HM5	3-[(2,2-dimethylpropanoyl)amino]-n-1,3-thiazol-2-ylpyridine-2-carboxamide
+c1c(cc(nc1C(=O)O)C(=O)O)n2cc(nn2)CO	HM6	4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid
+CSCCC1=N/C(=C(/O)\S)/C(=O)N=C1O	HM7	3-methylthioethane-pyrazinedione
+C[C@H]([C@@H](c1nc(c(o1)O)C(=S)O)N)OS(=O)(=O)O	HM8	2-[(1s,2r)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic o-acid
+C(Cc1c(nc(c(n1)C(=O)S)O)O)CNC(=N)N	HM9	6-(3-carbamimidamidopropyl)-3,5-dihydroxypyrazine-2-carbothioic s-acid
+C[C@@H](C(=O)NO)N	HMA	hydroxyaminoalanine
+COC(CCC(=O)O)O	HMB	(4s)-4-hydroxy-4-methoxybutanoic acid
+C1=C([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO	HMC	5-hydroxymethyl-chonduritol
+C1CNC(=O)C2=NC(=CC2C1C3=NC(=NC3=O)N)Br	HMD	4-(5-amino-4-oxo-4h-pyrazol-3-yl)-2-bromo-4,5,6,7-tetrahydro-3ah-pyrrolo[2,3-c]azepin-8-one
+CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Fe]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C	HME	porphycene containing fe
+c1ccc(cc1)CC[C@H](C(=O)O)N	HMF	2-amino-4-phenyl-butyric acid
+C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O	HMG	3-hydroxy-3-methylglutaryl-coenzyme a
+Cc1ncc(c(n1)N)CO	HMH	4-amino-5-hydroxymethyl-2-methylpyrimidine
+CC(C)C[C@H](C(=O)NO)C(=O)O	HMI	2-hydroxycarbamoyl-4-methyl-pentanoic acid
+CN(C)CCOc1ccc2c(c1)c3ccccc3o2	HMJ	2-[(dibenzo[b,d]furan-2-yl)oxy]-n,n-dimethylethan-1-amine
+c1cc2c(cc1O)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O	HMK	(6ar,12ar)-6h-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromene-3,6a(12ah)-diol
+c1cc(ccc1Cn2ccnc2C(=O)O)C(F)(F)F	HML	1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid
+CN1C(=O)N2CC=C[C@H](N2C1=O)CO	HMM	5-hydroxymethyl-2-methyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
+CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	HMN	2,4,6,7,8,9-hexahydroxy-5-methylcarboxamido nonanoic acid
+COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O	HMO	4'-hydroxy-7-methoxyisoflavone
+CC(C)C[C@H](C(=O)NO)C(=O)O	HMP	1-hydroxyamine-2-isobutylmalonic acid
+C1=C[C@@](C(=CC1=O)CC(=O)O)(O)OO	HMQ	2-[(6r)-6-(dioxidanyl)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanoic acid
+C(C[C@@H](CC(=O)O)N)CNC(=N)N	HMR	beta-homoarginine
+C([C@@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O	HMS	5-o-phosphono-l-ribulose
+CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CC[N@@]5[C@@]2(CCC5)C=C1OC)OCO4)O)O	HMT	(3beta)-o~3~-[(2r)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine
+C1=C(C(=O)NC(=O)N1)CO	HMU	5-hydroxymethyl uracil
+CN(C)CCOc1ccc2c(c1)c3ccccc3[nH]2	HMV	2-[(9h-carbazol-3-yl)oxy]-n,n-dimethylethan-1-amine
+Cc1ccc(cc1Nc2nc(nc(n2)N3CC[C@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HMW	3-[[4-imidazol-1-yl-6-[(3~{r})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+C1CCCN(CC1)c2c(nc(c(n2)N)C(=O)N=C(N)N)Cl	HMX	3-azanyl-5-(azepan-1-yl)-n-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide
+C[C@H]1CC=CC(=O)[C@H]([C@H](C[C@@H]2[C@H](O2)c3cc(cc(c3C(=O)O1)O)OC)O)O	HMY	(1ar,8s,13s,14s,15ar)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6h-oxireno[k][2]benzoxacyclotetradecine-6,12(1ah)-dione
+COc1ccc(c(c1)O)C(=O)CCC(=O)O	HMZ	4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid
+CCCCC[C@H]1[C@H](C[C@@H](O1)O)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2	HN0	2'-deoxy-n-[(2s,3s,5r)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate)
+CCCCC[C@@H]([C@@H]1C[C@H](N2C(=O)c3c(n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)NC2=N1)O)O	HN1	(6s,8r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-8-hydroxy-6-[(1s)-1-hydroxyhexyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one
+c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN2	1-phenyl-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
+Cc1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN3	1-(4-methylphenyl)-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
+CC(C)(C)c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN4	1-(4-tert-butylphenyl)-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
+CC(C)(C)c1ccc(cc1)CC[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN5	(1s,2r,5s,8r,8ar)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol
+CC(C)(C)c1ccc(cc1)CC[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN6	(1s,2r,5r,8r,8ar)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol
+CC(C)(C)c1ccc(cc1)C(=O)C[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN7	1-(4-tert-butylphenyl)-2-[(1s,2r,5s,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
+CO[C@H]1C[C@H]2[C@]3(C=C1)c4cc5c(cc4CN2C[C@@H]3O)OCO5	HN8	haemanthamine
+c1cc(ccc1Cn2ccnc2C(=O)O)O	HN9	1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid
+c1cc2c(c(c1)O)C(=O)c3c(ccc(c3C2=O)[N+](=O)[O-])O	HNA	1,8-di-hydroxy-4-nitro-anthraquinone
+CCCCC[C@@H]1CC[C@H](O1)O	HNB	(2s,5r)-5-pentyltetrahydrofuran-2-ol
+CCCCC[C@H]([C@H](CC=O)SC[C@@H](C(=O)O)N)O	HNC	s-[(1s,2r)-2-hydroxy-1-(2-oxoethyl)heptyl]-l-cysteine
+CCCCC[C@@H](CCCO)O	HND	(4s)-nonane-1,4-diol
+CCCCC[C@H](C=CC=O)O	HNE	(2e,4r)-4-hydroxynon-2-enal
+c1cc-2c(cc1[N+](=O)[O-])Cc3c2ccc(c3)O	HNF	7-nitro-9h-fluoren-2-ol
+c1c(c2c([nH]1)NC(=NC2=O)N)CN	HNG	2-amino-5-(aminomethyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+CN1CCC=C1c2ccc(nc2)O	HNH	5-(1-methyl-4,5-dihydro-1h-pyrrol-2-yl)pyridin-2-ol
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Ni]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O	HNI	protoporphyrin ix containing ni(ii)
+c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccc3N4CCCC4	HNJ	3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1h-1lambda~6~,2-benzothiazole-1,1-dione
+C[N@]1CCC[C@@H]1c2ccc(nc2)O	HNK	5-[(2r)-1-methylpyrrolidin-2-yl]pyridin-2-ol
+C[N@@]1CCC[C@H]1c2ccc(nc2)O	HNL	5-[(2s)-1-methylpyrrolidin-2-yl]pyridin-2-ol
+CNCCCC(=O)c1ccc(nc1)O	HNM	1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one
+CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Mn@@]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C	HNN	porphycene containing mn
+CC(C)(C)Nc1cnc2cc(c(cc2n1)Cl)Cl	HNO	n-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine
+C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O	HNP	hydantocidin-5'-monophosphate
+c1cc2c(ccc(c2nc1)O)[N+](=O)[O-]	HNQ	5-nitroquinolin-8-ol
+CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N	HNR	n-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methyl-benzenesulfonamide
+Cc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O	HNS	3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+c1cc2c(cc1[N+](=O)[O-])CN[C@H](C2)CO	HNT	[(3r)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
+COc1ccc(cc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	HNV	3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-d-mannopyranoside
+c1cc(ccc1C#CCO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	HNW	4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-d-mannopyranoside
+c1ccc2c(c1)cccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N	HNX	(2~{s})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid
+CCc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O	HNY	6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+Cc1ccc(cc1Nc2nc(nc(n2)N3CCNCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HNZ	3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+[Ho]	HO	holmium atom
+c1ccc(cc1)c2ccccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N	HO0	(2~{s})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid
+c1cc(cc(c1)C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3	HO1	3-hydroxy-4-oxo-6-[3-(1h-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid
+CCCCC[C@@H](\C=C\C=C\CCCCCCCC(=O)O)O	HO2	(9e,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid
+[Ho+3]	HO3	holmium (iii) atom
+C#Cc1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	HO4	5-ethynyl-7-(beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+Cc1ccc(cc1Nc2nc(nc(n2)N3CC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HO5	3-[[4-imidazol-1-yl-6-[(3~{s})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+Cc1ccc(cc1)Sc2c(nns2)C(=O)O	HO6	5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid
+c1cc(ccc1[C@H]2CN3CCSC3=N2)Br	HO7	(6s)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
+Cc1ccc(cc1Nc2nc(nc(n2)N3CCOCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HO8	3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+c1ccc(c(c1)COc2ccc3c(c2)C[C@@](CC3)(C(=O)O)N)c4nc5ccccc5o4	HO9	(2~{s})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid
+NO	HOA	hydroxyamine
+CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCCOC5CC(C(O5)COP(=O)(O)O)O)C)C	HOB	(3alpha,8alpha,14beta,17alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)oxy]propyl}carbamate
+CCCCCC[C@@H](C(=O)O)O	HOC	(2s)-2-hydroxyoctanoic acid
+C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O	HOE	2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+CN(C)C(=O)[C@H]1CCC=C[C@@H]1NC(=O)OCc2ccc(cc2)C(=O)OC	HOF	methyl 4-[[(1s,6s)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate
+c1cc(cc(c1)C(=O)O)C2=CC(=O)C(=C(N2)C(=O)O)O	HOG	6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+O	HOH	water
+CC(=O)N1CCc2c(ccc(n2)OC)[C@@H]1C(=O)Nc3ccc(cc3)OCc4ccccc4OC	HOJ	(5r)-6-acetyl-2-methoxy-n-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide
+Cc1ccc(cc1Nc2nc(nc(n2)N3CCC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HOK	3-[[4-imidazol-1-yl-6-[(3~{s})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCO[C@@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C)C	HOL	alpha-cholest-5-en-3-yl 3-[(2-deoxy-5-o-phosphono-alpha-d-glycero-pentofuranosyl)oxy]propylcarbamate
+CC1=C(C(=O)Oc2c1ccc(c2)O)CCO	HOM	7-hydroxy-4-methyl-3-(2-hydroxy-ethyl)coumarin
+C(C1=NC(=O)NC1=O)[C@@H](C(=O)O)N	HOO	(2~{s})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid
+c1ccc(cc1)[C@H]2CC[C@@H]([C@H](C2)O)c3ccc(cc3)C(=O)NCCCC(=O)O	HOP	(1s,2s,5s)2-(4-glutaridylbenzyl)-5-phenyl-1-cyclohexanol
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)C(C)(C)O)C(=O)O)C	HOQ	(1r)-2-(1-carboxy-2-hydroxy-2-methyl-propyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid
+c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3Cl)C#N)N4CCC[C@H](C4)N	HOR	4-[[(1r,2r)-2-[(3r)-3-azanylpiperidin-1-yl]-2,3-dihydro-1h-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile
+CC/C(=C(\C(=O)N/C(=C/C(=O)O)/C(=O)O)/NC(=O)[C@@H]1C=CCN1C(=O)[C@@H]2[C@@](Oc3cc(cc(c3O)Cl)[C@@H]([C@@H](C(=O)N[C@H](C(=O)N2)C(=C)C)NC)O)(C)CC)/C	HOS	phomopsin a
+Cc1ccc(cc1Nc2nc(nc(n2)N3CCC(CC3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HOT	3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+Cc1c(cccc1c2nnc(o2)Nc3cccc(c3)CNCCO)c4ccccc4	HOU	2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C)c4ccccc4	HOV	ethyl (4r)-4-[[(2s,3r)-1-[(2s)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
+c1conc1N	HOW	1,2-oxazol-3-amine
+c1cc(ccc1C[C@@H](C(=O)O)N)N	HOX	4-amino-l-phenylalanine
+C(CC(=O)O)[C@@H](CN)N	HOZ	(4s)-4,5-diaminopentanoic acid
+c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)O)O)N	HP0	(3s,4as,8as)-2-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid
+Cn1ccnc1C(=O)Nc2cn(c(c2O)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C	HP1	~{n}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C	HP2	hydroxypyrrole-imidazole-pyrrole polyamide
+C[C@H](CO)O	HP3	2,3-propandiol
+[O-][PH2]=O	HP4	phosphinate
+Cc1c2n3c(c1C(=C)OO)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C	HP5	peroxidized heme form 2
+CCCCCCC	HP6	heptane
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O	HP7	(2s,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid
+c1cc(c(c(c1)O)O)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	HP8	5'-o-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine
+c1[nH]c2c(n1)N=CNC2=O	HPA	hypoxanthine
+C[C@H]([C@H](Cc1ccccc1)N)O	HPB	2-hydroxy-3-amino-4-phenyl butane
+CC(=O)[C@H](Cc1ccccc1)N	HPC	3-amino-4-phenyl-butan-2-one
+C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)O	HPD	1-hydroxy-pentane-3,4-diol-5-phosphate
+c1ccc(cc1)CC[C@@H](C(=O)O)N	HPE	homophenylalanine
+c1ccc(c(c1)N[C@@H]([C@@H](COP(=O)(O)O)O)O)O	HPF	1-[(2-hydroxylphenyl)amino]3-glycerolphosphate
+C(CO)CO	HPG	hydroxypropyloxy group
+c1ccc(cc1)C[C@@H](C(O)O)N	HPH	(2s)-2-amino-3-phenylpropane-1,1-diol
+c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)O)C(=O)N	HPI	n-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine
+COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)N3O)c4ccccc4	HPJ	1-hydroxy-6-[1-(3-methoxypropyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1h)-one
+c1ccc(cc1)C(=O)C\C=C\C(=O)C(=O)[O-]	HPK	(3e)-2,6-dioxo-6-phenylhex-3-enoate
+CCCCCCCNC=O	HPL	heptylformamide
+COc1cc2c(cc1OC[C@H](CN3CCCCC3)O)ncnc2Nc4cnc(nc4)NC(=O)c5ccccc5	HPM	n-{5-[(7-{[(2s)-2-hydroxy-3-piperidin-1-ylpropyl]oxy}-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl}benzamide
+CCCCCCC(=O)N	HPN	heptanamide
+CCCCCC(=O)CP(=O)(O)O	HPO	2-oxoheptylphosphonic acid
+c1cc(ccc1CCC(=O)O)O	HPP	hydroxyphenyl propionic acid
+CC(=O)[C@H](CCc1ccccc1)N	HPQ	homophenylalaninylmethane
+c1nc2c(c(n1)O)NCN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	HPR	6-hydroxy-7,8-dihydro purine nucleoside
+c1ccc(cc1)OP(=O)(O)O	HPS	phenyl dihydrogen phosphate
+CC1=C(NC(=O)NC1=O)CCCO	HPT	6-hydroxypropylthymine
+CS(=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)c3ccccc3	HPU	n-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide
+C(C(=O)C(=O)O)OP(=O)(O)O	HPV	2-oxo-3-(phosphonooxy)propanoic acid
+CS(=O)(=O)Nc1cc(cc(c1)NS(=O)(=O)C)C2=CC(=CC(=O)N2O)c3ccccc3	HPW	n-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide
+c1ccc(cc1)C(=O)/C=C/C=C(/C(=O)O)\O	HPX	(2z,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
+C1=CNC(=O)N[C@H]1O	HPY	4-hydroxy-3,4-dihydro-1h-pyrimidin-2-one
+c1ccc(cc1)C(=O)\C=C\C=C(/C(=O)O)\O	HPZ	(2e,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
+CCCCCCCc1cc(c2ccccc2[n+]1[O-])O	HQ	2-heptyl-1,4-dihydroxy-quinolinium
+Cc1cnc(n1CCC=C)C(=O)O	HQ0	1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid
+c1cc(c2c(c1C(=O)O)cc(cn2)N3CCNCC3)O	HQ2	8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid
+Cc1cnc(n1Cc2ccccc2)C(=O)O	HQ3	5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)N	HQ5	 5'-o-(n-(l-leucyl)-sulfamoyl)cytidine
+CC(=O)N[C@H]1[C@@H](CN[C@@H]([C@H]([C@@H]1O)O)CO)O	HQ6	n-[(3r,4s,5r,6r,7r)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide
+CC1(CCc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)CCCC(=O)O)OC)F)C	HQ7	5-[(5r)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1h-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5h)-yl]-5-oxopentanoic acid
+C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O	HQ8	(1~{r},2~{s},4~{s},5~{r})-cyclohexane-1,2,3,4,5-pentol
+C1=CC(=O)C=C([C@H]1O)CC(=O)O	HQ9	2-(6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)ethanoic acid
+c1cc2cc(cnc2c(c1)O)C[C@@H](C(=O)O)N	HQA	3-(8-hydroxyquinolin-3-yl)-l-alanine
+CNc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-]	HQB	~{n}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
+c1cc2ccc(nc2c(c1)O)C(=O)NCCCC[C@@H](c3cccs3)C(=O)N[C@@H](CC(=O)O)C=O	HQC	3-{6-[(8-hydroxy-quinoline-2-carbonyl)-amino]-2-thiophen-2-yl-hexanoylamino}-4-oxo-butyri acid
+CC1=C(C(=O)c2ccccc2N1)O	HQD	3-hydroxy-2-methylquinolin-4(1h)-one
+c1cc(ccc1O)O	HQE	benzene-1,4-diol
+c1cc2c(cc1Cn3ccnc3C(=O)O)sc(n2)N	HQF	1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)OP(=O)(O)O)O)O)O)O)N	HQG	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O	HQH	piericidin a
+CC(=O)Nc1ccc(c2c1cccn2)O	HQI	n-(8-hydroxyquinolin-5-yl)acetamide
+c1cc(cc(c1)Cl)c2c[nH]cn2	HQJ	4-(3-chlorophenyl)-1h-imidazole
+CC(C)(C)c1ccc(cc1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl	HQK	pyridaben
+c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCc4[nH]nnn4	HQL	4-(benzhydryloxy)-1-[3-(1h-tetraazol-5-yl)propyl]piperidine
+Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)C3CCCCC3)[C@H]4C[C@H]4C(=O)O	HQM	(1r,2s)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid
+c1cc(c(cc1O)O)O	HQN	benzene-1,2,4-triol
+CCCCCCCc1cc(c2ccccc2[n+]1[O-])O	HQO	2-heptyl-4-hydroxy quinoline n-oxide
+c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)C#N)Nc4cc([nH]n4)C5CC5	HQP	4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-diene-1-carbonitrile
+CC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)Oc3ccccc3	HQQ	5-methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione
+Cc1cn(c(n1)C(=O)O)CCC=C	HQR	1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid
+c1cc(c(cc1N/C(=N\O)/c2c(non2)SCCNS(=O)(=O)N)Br)F	HQS	n-(3-bromo-4-fluorophenyl)-n'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide
+c1ccc2c(c1)C=CN(C2=S)O	HQT	2-hydroxyisoquinoline-1(2h)-thione
+c1ccc2c(c1)cc(c(n2)C(=O)O)O	HQU	3-hydroxyquinaldic acid
+C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	HQV	(2s,3r,4r,5s,6r)-3-[(2e)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+CC1=C(OC(=C(C1=O)C)OC)[C@H]2C/C(=C/C(=C/c3ccc(cc3)[N+](=O)[O-])/C)/CO2	HQW	aureothin
+c1cc2cccnc2c(c1)O	HQY	quinolin-8-ol
+[B-]([C@@H](C)NS(=O)(=O)C)(O)(O)O	HQZ	trihydroxy{(1s)-1-[(methylsulfonyl)amino]ethyl}borate(1-)
+Cc1c(c2nc(c3cccnc3n2n1)O)C#N	HR0	5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
+CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccccc4)c5ccc(cc5)F)CC[C@H](C[C@H](CC(=O)O)O)O	HR1	(3r,5r)-7-[1-(4-fluorophenyl)-3-isopropyl-4-oxo-5-phenyl-4,5-dihydro-3h-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoic acid
+CC(C)n1c(c(c2c1C(=O)N(CCC2)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O	HR2	(3r,5r)-7-[3-(4-fluorophenyl)-1-isopropyl-8-oxo-7-phenyl-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptanoic acid
+COc1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O	HR3	5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid
+c1cc(ccc1CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)S)O)N)F	HR4	(2s,4ar,6r,7r,7as)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9h-purin-9-yl}-2-sulfanyltetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide
+Cc1c(cnn1C)C(=O)NCC2CCC2	HR5	~{n}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide
+c1ccc(cc1)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)S)O)N	HR6	(2s,4ar,6r,7r,7as)-6-[6-amino-8-(benzylsulfanyl)-9h-purin-9-yl]-2-sulfanyltetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide
+C(C[C@@H](CC(=O)O)N)CN=C(N)N	HR7	(3s)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid
+CC(C)CNC(=O)c1cc(ccc1OC)Cl	HR8	5-chloranyl-2-methoxy-~{n}-(2-methylpropyl)benzamide
+c1ccc(cc1)CCCCNc2cnc(cc2C(=O)O)C(=O)O	HR9	5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid
+c1ccc(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c3c(ncn4)N[C@@H]5CC[C@H](OC5)CO	HRA	1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-d-erythro-hexitol
+CCCCC[C@@H]1[C@H](C[C@@H](O1)O)n2cc(nc2)C[C@@H](C(=O)O)NC(=O)C	HRB	n-acetyl-1-[(2r,3s,5r)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-l-histidine
+Cc1cc(cc(c1NS(=O)(=O)c2ccccc2)C)O	HRC	n-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
+CNc1[nH]c2cc3c(cc2n1)N=C(NC3=O)NC	HRD	2,6-bis(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CC(C)c1c2c(nn1c3cnc(nc3OC)N(C)C)C(=O)N([C@H]2c4ccc(cc4)C#N)C5=CC(=CNC5=O)Cl	HRE	4-[(4~{s})-5-(5-chloranyl-2-oxidanylidene-1~{h}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{h}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile
+c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O	HRF	5-(benzylamino)pyridine-2,4-dicarboxylic acid
+C(CCNC(=N)N)C[C@@H](C(=O)O)N	HRG	l-homoarginine
+Cc1cc(ccc1[C@H]2c3c([nH]nc3C(C)C)C(=O)N2c4cccc(c4F)Cl)Cl	HRH	(4~{s})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
+CC(C)CC(C(=O)O)Cl	HRI	alpha-chloroisocaproic acid
+Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(=O)O)O)C3=NOC(=O)N3	HRJ	3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O	HRK	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol
+COc1ccccc1CNc2cnc(cc2C(=O)O)C(=O)O	HRL	5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid
+Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC	HRM	7-methoxy-1-methyl-9h-beta-carboline
+C[C@@H](c1ccc(cc1Cl)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cc(ccc5N6CCC(CC6)N7CCCOC7=O)C(=O)O)Cl)c8ccccc8	HRN	3-[[6-chloranyl-3-[3-[(1~{s})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{h}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid
+C1(=C(NC(=O)NC1=O)C(=O)O)Cl	HRO	5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc2c(cc1O)c(c[nH]2)C[C@H](C(=O)O)N	HRP	5-hydroxy-l-tryptophan
+Cc1ccc(cc1)N2CC[C@@H](C2)NC(=O)c3c[nH]c4c3cccc4OC	HRQ	7-methoxy-~{n}-[(3~{s})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{h}-indole-3-carboxamide
+c1ccc(c(c1)CNc2cnc(cc2C(=O)O)C(=O)O)C3CC3	HRR	5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid
+c1cc(ccc1NS(=O)(=O)c2ccc(s2)Br)N(=O)=O	HRS	5-bromo-n-(4-nitrophenyl)thiophene-2-sulfonamide
+C[C@@H](c1cccc(c1)Cl)N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5)Cl	HRT	(4~{s})-4-(4-chlorophenyl)-5-[(1~{s})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one
+CC(C)C12C3[Ru]14567(C3C4(C5C62)C)[NH2+]CC[NH2+]7	HRU	(ethane-1,2-diamine-kappa~2~n,n')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium
+C[C@]1([C@@H](OCC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3c(cc(cn3)Cl)Cl	HRV	n-{3-[(2r,3r)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2h-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide
+Cc1cc(nc(n1)SCC(=O)/N=C\2/NC=C(S2)Cc3cccc(c3)C(F)(F)F)C	HRW	2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-n-[(2z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3h)-ylidene]acetamide
+c1cc(cnc1)CCC(O)(P(=O)(O)O)P(=O)(O)O	HRX	[1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid)
+CN1C=C(C=CC1=O)c2ccc3c(c2)c(nc(n3)N4CCN(CC4)CCN(C)C)NCc5cccc(c5)Cl	HRY	5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1h)-one
+C1=CC(=O)NC=C1	HRZ	1~{h}-pyridin-2-one
+c1c(cc2c(c1N)cn[nH]2)Br	HS0	6-bromanyl-1~{h}-indazol-4-amine
+COc1ccc(cc1)S(=O)(=O)[N@@](C[C@@H](CO)O)CC(=O)N=O	HS1	2-[[(2s)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-n-oxo-ethanamide
+COc1ccc(cc1)S(=O)(=O)N[C@H](CO)C(=O)N=O	HS3	(2r)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-n-oxo-propanamide
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCC(=O)NO	HS4	n-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide
+c1cc(ccc1F)S(=O)(=O)N(CCO)CC(=O)N=O	HS5	2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-n-oxo-ethanamide
+c1cc(ccc1F)S(=O)(=O)NCC(=O)N=O	HS6	2-[(4-fluorophenyl)sulfonylamino]-n-oxo-ethanamide
+c1ccc(cc1)S(=O)(=O)NCC(=O)N=O	HS7	n-oxo-2-(phenylsulfonylamino)ethanamide
+c1c([nH+]cn1S(=O)(=O)O)C[C@@H](C(=O)O)N	HS8	3-(1-sulfo-1h-imidazol-3-ium-4-yl)-l-alanine
+CN[C@@H](Cc1c[nH]cn1)C(=O)N	HS9	n-alpha-methyl-l-histidinamide
+c1c(nc[nH]1)CC(COP(=O)(O)O)N	HSA	phosphoric acid mono-[2-amino-3-(3h-imidazol-4-yl)-propyl]ester
+CCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O	HSC	(s)-3-hydroxydecanoyl-coa
+C1=C([C@H]([C@@H]([C@H]([C@@H]1N)O)O)O)CO	HSD	(1s,2s,3r,6r)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
+C(CO)[C@@H](C(=O)O)N	HSE	l-homoserine
+CCCCCCCCCCCCCCCCS(=O)(=O)F	HSF	1-hexadecylsulfonyl fluoride
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O	HSG	octyl alpha-l-altropyranoside
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	HSH	octyl beta-d-galactopyranoside
+CCCCCC[C@H](CC(=O)O)C(=O)c1ccc(cc1)C#Cc2ccc(cc2)Cl	HSI	(3r)-3-{4-[(4-chlorophenyl)ethynyl]benzoyl}nonanoic acid
+CCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O	HSJ	octyl beta-l-talopyranoside
+c1c(n(cn1)O)C[C@@H](C(=O)O)N	HSK	3-hydroxy-l-histidine
+C1COC(=O)[C@H]1N	HSL	homoserine lactone
+c1c(nc[nH]1)CCN	HSM	histamine
+c1c([nH+]c[nH]1)C[C@@H](CO)N	HSO	l-histidinol
+c1ccc(c(c1)O)[S@](=O)CCCCP(=O)(O)O	HSP	4-(2-hydroxyphenylsulfinyl)-butylphosphonic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O	HSQ	2-acetylamino-2-deoxy-alpha-l-idopyranose
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	HSR	2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+c1c([nH]cn1)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	HSS	5'-o-[(l-histidylamino)sulfonyl]adenosine
+CCCCCC(CCCCC)Sc1c(nn[nH]1)C(=O)O	HST	4-carboxy-5-(1-pentyl)hexylsulfanyl-1,2,3-triazole
+C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O	HSU	beta-d-ribofuranose
+c1c([nH+]c[nH]1)C[C@@H](C=O)N	HSV	l-histidinal
+NS(=O)(=O)NO	HSW	n-hydroxysulfamide
+C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O	HSX	5-o-phosphono-alpha-d-ribofuranose
+C1[C@@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O	HSY	alpha-l-xylopyranose
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	HSZ	beta-d-xylopyranose
+CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O	HT	2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(CC6)C	HT1	2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C(=N)N)C(=N)N	HT2	5-amidino-2-[2-(4-amidinophenyl)-5-benzimidazolyl]benzimidazole
+CCCC[C@@H]([C@@H](CO)O)O	HT3	(2r,3s)-heptane-1,2,3-triol
+Cc1ccc(c(c1)S)O	HT4	4-methyl-2-sulfanylphenol
+CCCCCCCCCC(=O)N[C@H]1CCSC1=O	HT5	(4s)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2h-thiophenium
+CCCCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	HT6	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol
+c1ccc2c(c1)c(c[nH]2)C[C@@H](CC(=O)O)N	HT7	(3s)-3-amino-4-(1h-indol-3-yl)butanoic acid
+c1ccc2cc(ccc2c1)C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3	HT8	(5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)NC	HTA	n-[3-(n'-hydroxycarboxamido)-2-(2-methylpropyl)-propanoyl]-o-tyrosine-n-methylamide
+c1ccc2c(c1)cc(o2)CNCCCCCCCNc3c4ccccc4nc5c3CCCC5	HTB	n-(1-benzofuran-2-ylmethyl)-n'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
+c1cc(c(cc1C(=O)O)O)NS(=O)(=O)c2ccsc2C(=O)O	HTC	3-{[(4-carboxy-2-hydroxyaniline]sulfonyl}thiophene-2-carboxylic acid
+Cc1ncc2c(n1)N[C@@H]3[N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C	HTD	2-[(9ar)-2,7-dimethyl-9a,10-dihydro-5h-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl]ethyl trihydrogen diphosphate
+c1ccc(cc1)C2=N[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)N2	HTE	(5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
+CCCCCCCC(=O)N[C@H]1CCOC1=O	HTF	n-(2-oxotetrahydrofuran-3-yl)octanamide
+CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	HTG	heptyl 1-thio-beta-d-glucopyranoside
+CCCC[C@H]([C@H](CO)O)O	HTH	(2s,3r)-heptane-1,2,3-triol
+C([C@@H](C(=O)O)N)[C@H](O)SC[C@@H](C(=O)O)N	HTI	(4s)-4-{[(2s)-2-amino-3-oxopropyl]sulfanyl}-l-homoserine
+c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O	HTJ	6-phenyl-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+C[C@@H](CC(=O)CC(=O)CC(=O)c1ccccc1)O	HTK	(7s)-7-hydroxy-1-phenyloctane-1,3,5-trione
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O	HTL	2-acetyl-thiamine diphosphate
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1OCCCO)C(=O)O)O	HTM	3-hydroxypropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid
+CNC(=O)[C@@H]([C@H](C(=O)O)N)O	HTN	(3r)-3-hydroxy-n-methyl-d-asparagine
+CCCC[C@H]([C@@H](CO)O)O	HTO	heptane-1,2,3-triol
+c1c2[n+]([nH]n1)[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	HTP	4,5,6-trihydroxy-7-hydroxymethyl-4,5,6,7-tetrahydro-1h-[1,2,3]triazolo[1,5-a]pyridin-8-ylium
+CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](c3ccccc3)O	HTQ	homotropine
+c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](C(=O)O)N)O	HTR	beta-hydroxytryptophane
+c1ccc(c(c1)O)S	HTS	2-mercaptophenol
+CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nc4)CC=CN5O)Cl	HTT	7-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4h)-ol
+c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C5(CCC5)O	HTV	1-o-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1h-indole-3-carbonyl}-beta-d-glucopyranuronic acid
+c1ccc2c(c1)cccc2C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3	HTW	(5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
+CCCCCC(=O)C	HTX	heptan-2-one
+c1cc(ccc1[C@H]([C@H](C(=O)O)N)O)O	HTY	(betar)-beta-hydroxy-d-tyrosine
+CN(C)CCCN(C)[C@H]1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5CO)Cl)c6ccccc6	HTZ	[6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{h}-indol-2-yl]-[(3~{s})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone
+c1cc(ccc1CNc2cc(cc3c2cn[nH]3)Br)O	HU0	4-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]phenol
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC4CCC4)C(=O)C(=O)N)C	HU1	tert-butyl {(1s)-2-[(1r,2s,5s)-2-({[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino}carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate
+CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C/C=C/CC(C)C)C(C)C	HU2	(2s)-({n-[(3s)-3-({n-[(2s,4e)-2-isopropyl-7-methyloct-4-enoyl]-l-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)aceti c acid
+c1c(cc(c2c1[nH]nc2)NC[C@H]3CCCC[C@@H]3O)Br	HU3	(1~{s},2~{r})-2-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
+CC1([C@H]2[C@@H](O1)CN([C@@H]2C(=O)N[C@@H](CC3CCC3)C(=O)C(=O)N)C(=O)[C@H](C4CCCCC4)NC(=O)OC(C)(C)C)C	HU4	tert-butyl {(1s)-2-[(1r,2s,5r)-2-({[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino}carbonyl)-7,7-dimethyl-6-oxa-3-azabicyclo[3.2.0]hept-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC3CCC3)C(=O)C(=O)N)C	HU5	(1r,2s,5s)-n-[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2s)-2-{[(tert-butylamino)carbonyl]amino}-3,3-dimet hylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br	HU6	(1~{r},2~{s})-2-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
+CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O	HU7	1-o-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1h-indole-3-carbonyl}-beta-d-glucopyranuronic acid
+CC(C)(C)NC(=O)Cc1ccc(cc1n2c(c(nc2C3CCCCC3)c4[nH]nnn4)c5ccc(c(c5)Cl)F)Cl	HU8	~{n}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{h}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide
+c1cc(c(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br	HU9	(1~{r},2~{s})-2-[[(5-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
+CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4	HUB	huperzine b
+c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@@H]3Cl)Br	HUC	6-bromanyl-~{n}-[[(1~{s},2~{s})-2-chloranylcyclohexyl]methyl]-1~{h}-indazol-4-amine
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)N)O)C	HUD	tert-butyl {(2s)-1-[(1r,2s,5s)-2-{[(2s,3r)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
+C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)NCCN5CCN(CC5)C6CCCCC6)Cl)c7ccccc7	HUE	6-chloranyl-3-[3-[(1~{s})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{n}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{h}-indole-2-carboxamide
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C=O	HUF	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4s)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1h-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+c1cc(ccc1c2c(cc3c(c2F)c(c[nH]3)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F)[C@@H]5CCCCO5	HUG	1-o-(4,6-difluoro-5-{4-[(2s)-oxan-2-yl]phenyl}-1h-indole-3-carbonyl)-beta-d-glucopyranuronic acid
+c1cnn[nH]1	HUH	1~{h}-1,2,3-triazole
+C[C@@H](CO)C(=O)O	HUI	(2s)-2-methyl-3-oxidanyl-propanoic acid
+B(C(CC(C)C)NC(=O)c1cn(nn1)CCNC(=O)c2ccc(c(c2OC)OC)OC)(O)(O)O	HUJ	[(1r)-3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron
+CCCC[NH+](C)[C@@H](Cc1c[nH]c2c1cccc2)C[NH+](C)CCC3CCCCCC3	HUK	butyl-[(2~{s})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{h}-indol-3-yl)propan-2-yl]-methyl-azanium
+COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O	HUL	5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4h-chromen-4-one
+C[C@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C	HUM	(2s)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+CCCC[NH2+][C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3	HUN	butyl-[(2~{s})-1-(2-cycloheptylethylamino)-3-(1~{h}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](C(C)C)NC(=O)OCc4ccccc4	HUO	(phenylmethyl) n-[(2s)-1-[[(2s)-1-[[(2s)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
+C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3	HUP	huperzine a
+CCCC[N+](C)(C)[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3	HUQ	butyl-[(2~{s})-1-(2-cycloheptylethylamino)-3-(1~{h}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)c4cc5c([nH]4)cccc5OC	HUR	n-[(2s)-1-[[(2s)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCCC3CCCCCC3	HUT	(2~{s})-2-(butylamino)-~{n}-(3-cycloheptylpropyl)-3-(1~{h}-indol-3-yl)propanamide
+CCc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F	HUU	6-chloranyl-2-ethyl-n-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
+COC(=O)c1ccc2c(c1)ccn2[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	HUV	methyl 1-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-d-erythro-pentofuranosyl}-1h-indole-5-carboxylate
+c1cc2c(cc1Cl)nc3c(c2N)[C@H]4C[C@@H](C3)C=C(C4)CCO	HUW	huprine w
+CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)N)[C@@H](C2)C1	HUX	3-chloro-9-ethyl-6,7,8,9,10,11-hexahydro-7,11-methanocycloocta[b]quinolin-12-amine
+CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F	HUY	1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one
+CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCC(CC3)N(C)C	HUZ	(2~{s})-2-(butylamino)-~{n}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{h}-indol-3-yl)propanamide
+Cc1c(c2cc(ccn2n1)OC)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F	HV0	5-methoxy-2-methyl-~{n}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
+CC(C)(C)[C@@H](C(=O)NN(Cc1ccc(cc1)Br)C(=O)CC[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	HV1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate 
+C1C(CS1(=O)=O)O	HV2	1,1-bis(oxidanylidene)thietan-3-ol
+C#CCOc1ccc(cc1)/C=C\2/C(=O)NC(=S)S2	HV4	(5z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
+CC(C)(C)[C@@H](C(=O)O)N	HV5	tert-butylalanine
+COc1ccc(c(c1)O)C(=O)/C=C(/C(C(F)(F)F)(F)F)\O	HV6	(z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one
+COc1ccc(c(c1)O)CN	HV7	1-methylamine-2-hydroxy-4-methoxy-benzene
+COc1ccc(cc1)CN[C@H]([C@@H]([C@H](Cc2ccccc2)N)O)C(=O)O	HV8	benzyl-2-amino-paramethoxy-benzylstatine
+Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCN(CC2)c3nccc(n3)C(F)(F)F	HV9	4-methyl-n-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide
+CC(C)([C@@H](C(=O)O)N)O	HVA	3-hydroxy-l-valine
+CCC(=[NH2+])N	HVB	1-azanylpropylideneazanium
+CCCCCc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O	HVD	(1'r,2'r)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol
+c1c[nH]c2c1c(ncn2)N3CCC(CC3)C[NH3+]	HVE	[1-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium
+C/C=C/C1C=C[C@@H]2C[C@@H](CC[C@H]2[C@]1(C)C(=O)C3=C([C@H](N(C3=O)C)CO)O)C	HVF	equisetin
+c1cc(c(cc1[C@@H](C(=O)O)N)C(=O)O)C(=O)O	HVG	4-[(s)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid
+CN1CCc2cc(ccc2C1)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5	HVH	~{n}-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1~{h}-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
+Cc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O	HVJ	(1'r,2'r)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol
+c1ccnc(c1)N	HVK	pyridin-2-amine
+C[C@@]1(CCCC(O1)(C)C)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)O)C)O)C	HVL	(3r,5r,6s,8r,9r,10r,12r,13r,14r,17s)-4,4,8,10,14-pentamethyl-17-[(2r)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6,12-triol
+c1cc(cc(c1)N)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3	HVM	(2e)-n-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide
+Cc1c(c(n(n1)C)C)c2cccc3c2[nH]c(c3CCCO[C@@H]4CCCc5c4cccc5)C(=O)O	HVN	3-[3-[[(1~{r})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{h}-indole-2-carboxylic acid
+CC(=O)c1ccc(cc1)Oc2ccc(c(c2)C(C)(C)C)O	HVO	1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone
+c1ccc(c(c1)S(=O)(=O)O)S(=O)(=O)F	HVP	2-(fluorosulfonyl)benzene-1-sulfonic acid
+c1cscc1C[NH3+]	HVQ	thiophen-3-ylmethylazanium
+CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)C#CCO	HVR	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol
+C/C(=C\C(=O)C(=O)O)/C=C(/c1ccccc1)\[O-]	HVS	(1z,3e)-5-carboxy-3-methyl-5-oxo-1-phenylpenta-1,3-dien-1-olate
+CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccc3ccccc3c2	HVT	(3~{s},7~{s},8~{s})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione
+CN1CCC(CC1)c2c[nH]c3c2cc(cc3)O	HVU	3-(1-methylpiperidin-4-yl)-1h-indol-5-ol
+C/C=C/C/C=C/CC[C@]1([C@H](CC(=O)N1)O)O	HVV	(4s,5r)-4,5-dihydroxy-5-[(3e,6e)-octa-3,6-dien-1-yl]pyrrolidin-2-one
+CC(C)C[C@@H](C(=O)NCC=C)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)C)C(F)(F)F	HVW	(2~{s})-4-methyl-~{n}-prop-2-enyl-2-[[(1~{s})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
+CCCCOc1ccc(cc1CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)C[C@H](CC)C(=O)O	HVX	(2s)-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5c(cccc5Cl)C	HVY	n-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide
+CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Cl)S(=O)=O	HVZ	~{n}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(n3)N	HW0	6-{[(3r,4r)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C	HW1	6-[5-({(3r,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine
+c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O	HW2	isoquercetin
+CC[C@@H](Cc1ccc(c(c1)C(=O)NCc2ccc(c(c2)F)Oc3ccc(cc3)F)OC)C(=O)O	HW3	(2s)-2-[[3-[[3-fluoranyl-4-(4-fluoranylphenoxy)phenyl]methylcarbamoyl]-4-methoxy-phenyl]methyl]butanoic acid
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCCCc3cccc(c3)F	HW4	6-{[(3s,4s)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCC=Cc3cccc(c3)F	HW5	6-{[(3s,4s)-4-{[(4e)-5-(3-fluorophenyl)pent-4-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cc(cc(c3)Cl)F	HW6	6-{[(3r,4r)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCOc3cc(cc(c3)Cl)F	HW7	6-({(3r,4r)-4-[4-(3-chloro-5-fluorophenoxy)butoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3	HW8	4-methyl-6-{[(3r,4r)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine
+Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C	HW9	4-methyl-6-{[(3r,4r)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine
+CC1=CC(=O)C(=C(N1)C(=O)O)O	HWA	3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O	HWB	cyanidin
+C1=CN(C(=O)NC1=O)C[C@@H](C(=O)O)N	HWD	2-amino-3-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
+CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccccc2	HWE	(3~{s},7~{s},8~{s})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione
+Cc1cc(cc(c1)C(=O)N(C(C)(C)C)NC(=O)c2ccc3c(c2C)OCCO3)C	HWG	n-(tert-butyl)-3,5-dimethyl-n'-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]benzohydrazide
+CC(=O)NCCc1c[nH]c2c1cc(cc2)F	HWH	~{n}-[2-(5-fluoranyl-1~{h}-indol-3-yl)ethyl]ethanamide
+CCc1c(c(nc(n1)N)N)OCCCOc2cc(ccc2N3CC(C3)C(=O)O)C	HWI	1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid
+Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3	HWJ	3-hydroxy-6-[2-methyl-4-(1h-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+c1ccc(c(c1)CCC2Oc3ccccc3O2)C(=O)O	HWK	2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid
+CC1=CC(=O)C(=CN1c2ccc(cc2)c3[nH]nnn3)O	HWM	5-hydroxy-2-methyl-1-[4-(1h-tetrazol-5-yl)phenyl]pyridin-4(1h)-one
+CC(C)(C)C1=Sc2c(nc(nc2N(C)CCC#N)N(C)[C@H]3CCN(C3)C)C1	HWN	3-[[6-~{tert}-butyl-2-[methyl-[(3~{s})-1-methylpyrrolidin-3-yl]amino]-7~{h}-thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
+CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3	HWQ	3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
+C/C/1=C\C2=O[Fe]345(O=C(N(O3)CCC[C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)/C=C(\C)/CCO)O=C(N(O5)CCC[C@@H](C(=O)OCC1)NC(=O)C)/C=C(\C)/CCO	HWS	coprogen
+CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N	HWT	3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	HWU	(2r,3r,4r,5r,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cc(cc4C)F)C)C(C)(C)O)C	HWV	n-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide
+CC(C)(C)c1cc2c(s1)c(nc(n2)N(C)CCCN(C)C)N(C)CCC#N	HWW	3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
+C[C@H](C(=O)NO)NC(=O)[C@H](CCNCC(=O)O)NC(=O)C	HWX	2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC(=O)N3c4ccccc4)O)S(=O)(=O)c5ccc(cc5)OC	HWY	(3as,5r,6ar)-2-oxo-3-phenylhexahydro-2h-cyclopenta[d][1,3]oxazol-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N	HWZ	3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile
+CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC	HX0	n,n,n-trioctyloctan-1-aminium
+C[C@H](CC[C@@H](C)O)O	HX2	(2r,5r)-hexane-2,5-diol
+c1cc(c(cc1NN)Cl)Cl	HX3	(3,4-dichlorophenyl)hydrazine
+c1ccc(cc1)c2cc(n[nH]2)N	HX4	5-phenyl-1h-pyrazol-3-amine
+CSc1nc(cc(n1)Cl)Cl	HX5	4,6-dichloro-2-(methylsulfanyl)pyrimidine
+c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)C(=O)NO	HX6	n-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide
+CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	HX7	n-{4-[(2s)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+c1ccc(cc1)Oc2ccc(cc2)O	HX8	4-phenoxyphenol
+C[C@H](C(=O)NO)NC(=O)[C@H](CCC[C@H](C(=O)O)NC(=O)C)NC(=O)C	HX9	(2~{r},6~{s})-2,6-diacetamido-7-[[(2~{r})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid
+CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O	HXA	docosa-4,7,10,13,16,19-hexaenoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@](O2)(C)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	HXB	4'-methylthymidine 5'-(tetrahydrogen triphosphate)
+CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	HXC	hexanoyl-coenzyme a
+CCCCCCCCC[C@H](CC(=O)O)O	HXD	(3r)-3-hydroxydodecanoic acid
+CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N	HXE	3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
+C[C@H](C(=O)NO)NC(=O)[C@H](CCN(Cc1ccccc1)CC(=O)O)NC(=O)C	HXF	2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid
+CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC	HXG	1,2-dihexanoyl-sn-glycero-3-phosphocholine
+c1ccc(cc1)Oc2ccc(cc2)CN[C@@H]3C=C[C@H]([C@@H]([C@H]3O)O)O	HXH	(1s,2s,3r,6r)-6-[(4-phenoxybenzyl)amino]cyclohex-4-ene-1,2,3-triol
+CCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)O	HXJ	2-[[(e,2s,3r)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
+CCCCCCCCOc1cc(cc(c1)O)CSc2ccccc2C(=O)O	HXK	2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid
+[H]/N=C(/c1ccc(cc1)Oc2ccc(cc2)c3[nH]c4ccc(cc4n3)/C(=N/[H])/N)\N	HXL	2-(4-(4-carbamimidoylphenoxy)phenyl)-1h-benzo[d]imidazole-6-carboximidamide
+CC(C)N(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	HXM	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](propan-2-yl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+CN(C)CCCN(C)c1nc2ccc(cc2c(n1)N(C)CCC#N)Br	HXN	3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile
+C[C@H](C(=O)NO)NC(=O)[C@H](Cc1ccc(cc1)S(=O)(=O)N)NC(=O)C	HXO	(2s)-2-acetamido-n-[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide
+c1cc2c(cc1O)Oc3cc(ccc3C2CCC(=O)O)O	HXP	3,6-dihydroxy-xanthene-9-propionic acid
+CCN(C)c1c2cc(ccc2nc(n1)N(C)C3CCN(CC3)C)S(=O)(=O)Nc4c(nn(c4C)C)C	HXQ	4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{n}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide
+c1cc(ccc1CC(=O)NO)c2ccc(cc2)S(=O)(=O)N	HXR	n-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide
+CC[C@@H](c1ccc(cc1)O)[C@H](CC)c2ccc(cc2)O	HXS	4-[(1r,2s)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol
+c1ccc(cc1)C(=O)CO	HXT	2-hydroxy-1-phenylethanone
+CCc1c(c(nc(n1)N)N)OCCCCOc2ccccc2CCc3[nH]nnn3	HXV	6-ethyl-5-(4-{2-[2-(1h-tetrazol-5-yl)ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine
+CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N4C=CC[C@H]4CC#N	HXW	2-[(2~{s})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile
+c1cc(c(c(c1Cl)C(=O)O)O)Cl	HXX	3,6-dichloro-2-hydroxybenzoic acid
+c1cc(ccc1CN2CCCC2)Br	HXY	1-(4-bromobenzyl)pyrrolidine
+CC[C@]1([C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O	HXZ	4'-ethylthymidine 5'-(tetrahydrogen triphosphate)
+CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N	HY0	hygromycin b variant
+c1ccc(cc1)CC=O	HY1	phenylacetaldehyde
+COc1cc2c(cc1OCCCN3CCN(CC3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O)NC[C@@H]7CCCN7C2=O	HY2	2-{2-[4-(3-{[(11as)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1h-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1h-benzo[de]isoquinoline-1,3(2h)-dione
+C1CN[C@@H]([C@H]1O)C(=O)O	HY3	3-hydroxyproline
+CCCCOC[C@H](COP(=O)(CCC)O)OCCCC	HY4	(2r)-2,3-dibutoxypropyl hydrogen (s)-propylphosphonate
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)O)O)[C@H](C)CNC(=O)C5CC5)O)C)COC	HY5	fc-ncpc
+c1cc(ccc1CC(=O)NCC(=O)NO)S(=O)(=O)N	HY6	n-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide
+CN1CCN(CC1)CC2=Nc3c4cc(ccc4oc3C(=O)N2)Br	HY7	8-bromanyl-2-[(4-methylpiperazin-1-yl)methyl]-3h-[1]benzofuro[3,2-d]pyrimidin-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@@H](O3)CN(CCCNc4c5c(ncn4)n(cn5)[C@@H]6[C@@H]([C@@H]([C@@H](O6)CO)O)O)CC[C@@H](C(=O)O)N)O)O)N	HY8	(2~{s})-4-[[(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{s},3~{r},4~{s},5~{s})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid
+C[C@H](C(=O)NO)NC(=O)[C@H](CCN(CC1CCCC1)CC(=O)O)NC(=O)C	HY9	2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid
+C([C@H]([C@@H](/C(=N/O)/O)O)O)O	HYA	2,3,4,n-tetrahydroxy-butyrimidic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H](Cc2cccc3c2cccc3)CS(=O)(=O)C(C)(C)C	HYB	[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionyl-valinyl]-phenylalaninol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)CCCCCCCCC(=O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O	HYC	o5'-[9-(3,17b-dihydroxy-1,3,5(10)-estratrien-16b-yl)-nonanoyl]adenosine
+[OH-]	HYD	hydroxy group
+C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCO)O	HYE	(2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde
+CC(C)C(=O)[C@]12C(=C(C(=O)[C@](C1=O)(C[C@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C)O	HYF	4-hydroxy-5-isobutyryl-6-methyl-1,3,7-tris-(3-methyl-but-2-enyl)-6-(4-methyl-pent-3-enyl)-bicyclo[3.3.1]non-3-ene-2,9-dione
+CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@H]3[C@H](C([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@@H]([C@H]([C@@H](O4)[C@H](CO)N)O)O)O)O)N	HYG	hygromycin b
+CCCC[C@H](C(=O)N)O	HYH	(2r)-2-hydroxyhexanamide
+C(CSC[C@@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N	HYI	(2s)-2-amino-4-[(2r,3r)-2,3-dihydroxy-3-n-hydroxycarbamoyl-propylmercapto]butyric acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N[C@H]3CC[C@@H](c4c3cccc4)Oc5ccc6nnc(n6c5)C(C)C	HYK	1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{s},4~{s})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
+C\1CNC(=O)c2c(c(c([nH]2)Cl)Cl)/C1=C\3/C(=O)N=C(N3)N	HYM	(4z)-4-(2-amino-5-oxo-3,5-dihydro-4h-imidazol-4-ylidene)-2,3-dichloro-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1h)-one
+C1C(=O)NC(=O)N1	HYN	imidazolidine-2,4-dione
+CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3	HYO	[(1s,5r)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2s)-3-hydroxy-2-phenylpropanoate
+C1[C@H](CN[C@@H]1C(=O)O)O	HYP	4-hydroxyproline
+c1ccc2c(c1)c(ccc2[N+](=O)[O-])N3C(=O)[C@H]4C5CCC([C@H]4C3=O)CC5	HYQ	rel-(3ar,4s,7r,7as)-3a,4,7,7a-tetrahydro-2-(4-nitro-1-naphthalenyl)-4,7-ethano-1h-isoindole-1,3(2h)-dione
+c1ccc(cc1)OCCNC=S	HYR	n-(2-phenoxyethyl)methanethioamide
+CS(=O)(=O)Nc1ccc(cc1)OC[C@H](CNCCc2ccc(c(c2)Cl)Cl)O	HYS	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+Cn1nc(c(n1)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F	HYT	2-methyl-5-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide
+c1ccc(cc1)CC2CCN(CC2)C(=O)C3CCN(CC3)c4nnc(s4)n5cccc5	HYV	[4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N[C@H]3CC[C@H](c4c3cccc4)Oc5ccc6nnc(n6c5)C(C)C	HYW	1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{s},4~{r})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
+CCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	HYY	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](propyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c(c(ncn4)N)CNN5CCCCC5	HYZ	n-[1-(3-fluorobenzyl)-1h-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine
+C[C@@H]1[C@@H]2C[C@]([C@@H](C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O)[C@@H](C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O	HZ0	(10e,12e)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl n-methyl-n-(3-(methylsulfinothioyl)propanoyl)-d-alaninate
+CCCCCCCC(=O)O[C@H]1[C@H]2C([C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCc4ccc(c(c4)CCCCCCNC(=O)OC(C)(C)C)O)([C@](C(=O)O3)(C)O)O)C([C@@H]1OC(=O)/C(=C\C)/C)C	HZ1	(3s,3ar,4s,6s,6ar,7s,8s,9r,9as,9bs)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCNc4c5c(ncn4)n(cn5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)O)O)N	HZ2	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid
+COC(=O)C1=C([C@@H]2C(=C([C@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OC	HZ3	dimethyl (1r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
+CCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	HZ4	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](ethyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+Cc1c(c(n(n1)C)C)NS(=O)(=O)C	HZ5	~{n}-(1,3,5-trimethylpyrazol-4-yl)methanesulfonamide
+CCCCCCC[C@@H](O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O[C@@H](CCCCCCC)O	HZ7	(1r,2s,3s,4r,5s,6r)-5-{[(r)-[(2r)-2,3-bis{[(1s)-1-hydroxyoctyl]oxy}propoxy](hydroxy)phosphoryl]oxy}-2,4,6-trihydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)]
+CCN(C)c1c2ccccc2nc(n1)N(C)C3CCN(CC3)C	HZ8	~{n}4-ethyl-~{n}2,~{n}4-dimethyl-~{n}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
+C1[C@H]([C@@H]([C@H](C([C@@H]1O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O	HZB	(1~{r},3~{s},4~{r},5~{r})-5-[(2~{s},3~{r},4~{s},5~{r})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol
+C[C@@H]1CC[C@H]([C@H](C1)CN)C(C)C	HZC	[(1s,2s,5r)-5-methyl-2-propan-2-yl-cyclohexyl]methanamine
+C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]5[C@H]6[C@@H](CS5)NC(=O)N6	HZD	4-[(3-{2,16-dioxo-20-[(3ar,4r,6as)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium
+CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)F)N4CCNCC4	HZE	5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{h}-indole-2-carboxamide
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)c3ccccc3)C(=O)O	HZF	(3r,4r,5s)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid
+CC(=O)C[n+]1c2ccccc2sc1Cc3cc[n+](c4c3cccc4)C	HZG	1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium
+c1ccc(cc1)CCSCC(=O)C(F)(F)F	HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one
+C[C@]12CCc3c4ccc(cc4ccc3[C@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N	HZJ	(14beta,17beta)-estra-1(10),2,4,6,8-pentaene-3,17-diyl disulfamate
+c1cc2c(cc1N3CC[C@@](C3=O)(C(=O)NCc4cc(cc(c4)Cl)F)O)CCC(=O)N2	HZK	(3~{s})-~{n}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)pyrrolidine-3-carboxamide
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC/N=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	HZL	[(2s)-3-[2-[(e)-[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(z)-octadec-9-enoyl]oxy-propyl] (z)-octadec-9-enoate
+CN(C)CCCC(=O)Nc1cccc(c1)[C@@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	HZM	2-{(s)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+NN	HZN	hydrazine
+C1[C@@H](CN[C@@H]1C(=O)O)O	HZP	(4s)-4-hydroxy-l-proline
+c1cc2c(ccc(c2nc1)O)Cl	HZQ	5-chloranylquinolin-8-ol
+CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)c3ccccc3	HZR	1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one
+c1cc(sc1)S(=O)(=O)N(Cc2ccc(cc2)F)Cc3[nH]ncn3	HZT	~{n}-[(4-fluorophenyl)methyl]-~{n}-(1~{h}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@@H](CF)C(=O)O	HZU	(2s)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3-fluoropropanoic acid
+CN(C)CCCC(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	HZV	2-{(r)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCc3cc(cc(c3)Cl)F)O	HZW	(3~{s})-~{n}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide
+c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)[O-]	HZX	2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
+COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(ccc3c2)OS(=O)(=O)N	HZY	6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium
+CC(=CCC/C(=C\COP(=O)(O)O)/C)C	HZZ	[(2~{z})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O	I	inosinic acid
+COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	I01	(4r)-4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoic acid (3r)-3-[(pyridine-4-carbonyl)amino]-azepan-4-yl ester
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)c3nnc(o3)[C@@](C)(Cc4ccccc4)N	I02	3-{5-[(1r)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-n-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)OC[C@](Cc3ccccc3)(CO)N	I03	(2s)-2-amino-2-benzyl-3-hydroxypropyl 3-({[(1r)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate
+COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	I04	n-{(3r,4r)-4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoylamino]-azepan-3-yl}isonicotinamide
+COc1ccc(c(c1F)C(=O)c2ccc(cc2)CO[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	I05	(3r,4r)-n-{4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzyloxy]-azepan-3-yl}-isonicotinamide
+c1ccc(cc1)CCN2C(=O)c3ccccc3C(=O)N2	I06	2-phenethyl-2,3-dihydro-phthalazine-1,4-dione
+COc1ccc(c(c1F)C(=O)c2ccc(cc2)\C=C\[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	I08	(3r,4s)-n-(4-{trans-2-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-phenyl]-vinyl}-azepan-3-yl)-isonicotinamide
+CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2)Cl)(C#N)c3ccc(cc3)Cl	I09	(3r,4r,5s)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-n-[(3s)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-d-prolinamide
+CN1CCc2c(cccc2NC3=C(C(=O)N(N=C3)C)Cl)C1	I0D	4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{h}-isoquinolin-5-yl)amino]pyridazin-3-one
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)O	I0E	(2s)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid
+CN(C)c1ccc(cc1)/C=C(\C#N)/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	I0F	2-cyano-3-[4-(dimethylamino)phenyl]-~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide
+c1cc(ccc1[C@H]2[C@H]3CCC[C@H]3c4cc(ccc4O2)O)O	I0G	(3as,4r,9br)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
+C[NH+]1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)C[NH+]5CC[C@@H](C5)OCC(=O)O	I0M	2-[(3s)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid
+COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2ccccc2)Cc3ccc(cc3)Cl)/O	I0N	methyl (z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@H](CO1)N)O)O)/C)/C)/C)/C)/C)/C)/C)/C)C	I0O	4-amino-4-deoxy-1-o-[(s)-hydroxy{[(2e,6e,10z,14z,18z,22e,26e,30e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-l-arabinopyranose
+[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	I0P	d-myo inositol 1,4,5,6 tetrakisphosphate
+C[C@H](CC[NH+]1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)C[NH+]5CCC(CC5)CNC(=O)C)C(=O)[O-]	I0Q	(2r)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate
+CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3ccc(nc3)N4CC[NH+](CC4)CCOC)c5cc(cc(c5)Cl)Cl	I0T	n-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide
+CCNCCc1ccc(cc1)CN(CC)c2cc(ccc2[C@@H]3CCc4cc(ccc4C3)O)OC	I0V	(6r)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol
+CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3ccc(nc3)N4CC[NH+](CC4)CCC(=O)[O-])c5cc(cc(c5)Cl)Cl	I0W	3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate
+CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	I0X	nalpha-[(benzyloxy)carbonyl]-n-[(1s)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-l-phenylalaninamide
+CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	I0Y	nalpha-[(benzyloxy)carbonyl]-n-[(2s)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-l-phenylalaninamide
+CC(C)C[C@H](c1cccc(c1)c2ccccc2)C(=O)NC[C@H](CNS(=O)(=O)c3ccccn3)O	I10	1-[2-(3-biphenyl)-4-methylvaleryl)]amino-3-(2-pyridylsulfonyl)amino-2-propanone
+c1c[nH+]ccc1NCC[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)C3CCCCC3	I11	[[cyclohexanesulfonyl-glycyl]-3[pyridin-4-yl-aminomethyl]alanyl]piperidine
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2cc(on2)C	I12	n-[(5-methylisoxazol-3-yl)carbonyl]-l-alanyl-l-valyl-n~1~-((1s)-4-ethoxy-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide
+C/C(=N\OCCN)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl	I13	1-(2-{3-[(1e)-n-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea
+Cc1ccc(cc1C#Cc2cn(c3c2c(ncn3)N)CCOC)NC(=O)C	I14	n-(3-{[4-amino-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide
+Cc1c2c(ccc(c2Oc3cc(cc(c3)C#N)C#N)F)[nH]n1	I15	5-[(5-fluoro-3-methyl-1h-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
+c1cc(ccc1CN)c2c(nc(cn2)NCC3CCNCC3)c4ccc(cc4)c5ccoc5	I16	5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-n-[(piperidin-4-yl)methyl]pyrazin-2-amine
+c1ccc(cc1)CNc2c3c(nc(n2)NC4CCC(CC4)N)n(cn3)C5CCCC5	I17	2-[trans-(4-aminocyclohexyl)amino]-6-(benzyl-amino)-9-cyclopentylpurine
+CC1=N[C@H]([C@H](N1)c2ccc(cc2)Cl)c3ccc(cc3)Cl	I18	(4s,5r)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1h-imidazole
+Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)N4CC[C@@H](C4)N(C)C)F	I19	n-(4-{[(3s)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-amine
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)I)O)/C(=O)N1CC(=O)O)N)O	I1C	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CCC(=O)c1ccccc1	I1E	1-phenylpropan-1-one
+CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3cnc(nc3)N4CC[NH+](CC4)CCC(=O)[O-])c5cc(cc(c5)Cl)Cl	I1G	3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate
+COc1ccc(cc1OCCc2ccc(cc2Cl)Cl)C(=O)NCC3CCN(CC3)c4ccncc4	I1H	3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-n-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
+C(c1n[nH]nn1)C(=O)N[NH3+]	I1L	[2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium
+C1([C@@H]([C@@H](C(=O)[C@H]([C@@H]1O)O)O)O)O	I1N	(2s,3r,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexanone
+CN(C)CCCNS(=O)(=O)c1ccc(cc1)Nc2nccc(n2)c3cnc4n3nccc4	I1P	2-[4-(n-(3-dimethylaminopropyl)sulphamoyl)anilino]-
+c1ccc(cc1)C[C@@H](NC(=O)OCc2ccccc2)P(=O)(O)O	I1S	[(1s)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C[NH2+][C@H]2C[C@H](C[C@H]2C=O)C(=O)[O-])[O-]	I1T	(1s,3r,4s)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C	I1W	(1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxo(1-~2~h)pyrrolidin-3-yl]propan-2-yl}-3-{n-[tert-butyl(~2~h)carbamoyl]-3-methyl-l-(n-~2~h)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~h)carboxamide
+[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C	I1Z	(1r,2s,5s)-3-[n-(tert-butylcarbamoyl)-3-methyl-l-valyl]-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([C@H](C)NC(=O)CC[C@@H](C(=O)N2CCCC2C#N)N)O	I20	(2s)-2-({(2s)-3-[(r)-[(1r)-1-({(4s)-4-amino-5-[(2s)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid
+C[C@]1(Cc2cccc(c2)C=CC(=NC(=O)c3cc(cc(c3)c4ccccc4C#N)COC1=O)c5ccccc5)N	I21	2-[(5r)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile
+C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O	I22	d-altro-hept-2-ulose 7-phosphate
+Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C	I23	n-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
+CCCCOc1nc(c2c(n1)n(cn2)Cc3c(cccc3F)F)NCCN4CCOCC4	I24	2-butoxy-9-(2,6-difluorobenzyl)-n-(2-morpholin-4-ylethyl)-9h-purin-6-amine
+[H]/N=C(/c1ccc(cc1)N[C@H](c2cc(cc(c2)OCC(C)(C)CN(C)C)CC)C(=O)O)\N	I25	(2r)-({4-[amino(imino)methyl]phenyl}amino){3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethylphenyl}acetic acid
+[H]/N=C(/c1ccc(cc1)N[C@H](c2cc(cc(c2F)OCC(C)(C)CN(C)C)CC)C(=O)O)\N	I26	(2r)-[(4-carbamimidoylphenyl)amino]{3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethyl-2-fluorophenyl}ethanoic acid
+COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2cccc(c2)Cl)Cc3ccc(cc3)Cl)/O	I27	methyl (z)-4-[1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate
+CCOC(=O)c1c2c(ccc(c2CN3CCC(CC3)C)O)oc1c4ccccc4	I28	ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
+CC1=N[C@@]([C@@](N1C(=O)N2CCN(CC2)CCCS(=O)(=O)C)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl	I29	[(4s,5r)-4,5-bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1h-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone
+Cc1cc2c(cc1C)N3C=[N]2[Co]456(N7[C@@H]8[C@@H]([C@](C7=C(C9=[N]4C(=CC1=[N]5C(=C(C2=[N]6[C@@]8([C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]1/C=C/C(=O)N)(C)CC(=O)N)C([C@@H]9CCC(=O)N)(C)C)C)(CCC(=O)NC[C@H](OP(=O)(O[C@@H]1[C@H](O[C@H]3[C@@H]1O)CO)O)C)C)CC(=O)N)O	I2A	hydroxocobalamin
+Cc1c(nc(c(c1O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC=O	I2C	5'-o-[(s)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine
+c1cc2c(cc1CCC(=O)O)OCO2	I2E	3-(1,3-benzodioxol-5-yl)propanoic acid
+COc1cc(c2c(c1OC)O[C@H](C=C2)C3CC3)Cc4cnc(nc4N)N	I2H	5-{[(2s)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl}pyrimidine-2,4-diamine
+II	I2I	molecular iodine
+CCC(C)(C)[C@@H](C(=O)O)N	I2M	3-methyl-l-alloisoleucine
+Cc1ccc(cc1c2ccc3c(c2)NC(=O)C34CCCC4)C(=O)NC5CC5	I2O	n-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide
+[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	I2P	d-myo-inositol-2,4,5-triphosphate
+C1[C@@H](C[C@@H]([C@H]1CF)N)C(=O)O	I2V	(1s,3s,4s)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid
+C/C(=N\NC(=O)c1cc(ccc1O)Br)/c2[nH]c3ccccc3n2	I30	n'-[(1e)-1-(1h-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide
+CCOc1cc(ccc1C2=N[C@@]([C@@](N2)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(C)(C)C	I31	(4s,5r)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1h-imidazole
+CC(C)(C)NC[C@@H](COc1cccc2c1c(c([nH]2)C#N)I)O	I32	4-{[(2s)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1h-indole-2-carbonitrile
+c1cc2cc(sc2c(c1)Cl)C(=O)N[C@H]3CN4CCC3CC4	I33	7-chloro-n-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide
+Cc1cc(no1)NC(=O)Nc2cc(c(cc2OC)OC)Cl	I34	n-(5-chloro-2,4-dimethoxyphenyl)-n'-(5-methyl-3-isoxazolyl)-urea
+CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC	I35	[(2~{r})-2-butanoyloxy-3-[oxidanyl-[(2~{r},3~{r},5~{s},6~{r})-2,4,6-tris(oxidanyl)-3,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] butanoate
+c1cc(c(cc1C(=O)NC2(CCCCC2)C(=O)NCC#N)F)N	I37	4-amino-n-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide
+C[C@H](C(=O)O)NC(=O)CCS	I38	n-(3-mercaptopropanoyl)-d-alanine
+Cc1ccccc1c2c(c(cc[n+]2[O-])C(=O)c3ccc(cc3F)F)N	I39	[3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone
+c1ccc2c(c1)c(c[nH]2)C=O	I3A	1h-indole-3-carbaldehyde
+c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O	I3C	5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid
+CCc1ccc(cc1)C(=O)CC	I3E	1-(4-ethylphenyl)propan-1-one
+COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)nc(o4)Nc5ccc(cc5)Cl	I3K	n-(4-chlorophenyl)-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine
+I[I-]I	I3M	tri-iodode anion
+Cc1c(c2cc(ccc2n1Cc3ccccc3)OC)CC(=O)O	I3N	1-benzyl-5-methoxy-2-methyl-1h-indol-3-yl)-acetic acid
+[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	I3P	d-myo-inositol-1,4,5-triphosphate
+[C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	I3S	(1s,3s,4s)-1,3,4-triphospho-myo-inositol
+CC1=C(C(=O)NC(=O)N1)N	I3V	5-azanyl-6-methyl-1~{h}-pyrimidine-2,4-dione
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCc4cccc(c4)I	I40	9-(3-iodobenzylamino)-1,2,3,4-tetrahydroacridine
+COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@](Cc2ccccc2)CC(=O)O	I41	2-[[2-[[(2s)-3-(3h-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic acid
+O[V](=O)([O-])[O-]	I42	hydroxy(dioxido)oxovanadium
+CC1=C(N(C(=O)N=C1OC)C)C=C(CO)CO	I43	6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1h)-one
+Cc1ccc(cc1N2C(=CC(=C(C2=O)Br)OCc3ccc(cc3F)F)C)C(=O)NC	I45	3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2h)-yl}-n,4-dimethylbenzamide
+c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F	I46	2-fluoro-4-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]pyridine
+c1cc(ccc1c2c(c(n[nH]2)C3CCN(CC3)C(=O)CO)c4ccncn4)Cl	I47	2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1h-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol
+Cc1cc(cc(c1)OCCNc2cc[nH+]cc2)NS(=O)(=O)c3ccccc3	I48	n-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
+c1cc(cc(c1)C(=O)N)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCCC3	I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid
+CC(C)Cc1ccccc1	I4B	isobutylbenzene
+[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O	I4D	d-myo-inositol-4-phosphate
+CC(C)CNCC(=O)O	I4G	n-(2-methylpropyl)glycine
+C[C@@H]1[C@@H]([C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@H](OC1=O)C(C)C)C)NC(=O)c2c(cccn2)O)Cc3cccnc3)O	I4I	3-hydroxy-n-[(2r,5r,6s,9s,10s,11r)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCN(CC4)C(=O)C[C@](CC(=O)O)(C(=O)O)O	I4L	(2~{s})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
+C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O	I4P	(1s,3r,4r,6s)-1,3,4,6-tetrapkisphosphate
+CC1=NNC(=NC1=O)C	I4S	3,6-dimethyl-2~{h}-1,2,4-triazin-5-one
+CC(C)OC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	I4U	4-isopropyl, uridine-5'-monophosphate
+[H]/N=C(/N)\NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccc2)(F)F)Cl	I50	n-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide
+CC1=C(NC(=O)NC1=O)C=C(CO)CO	I51	6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+CCCCCc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N(CCN3CCOCC3)[C@H](C(C)C)C(=O)NO	I52	n-{4-[(1-hydroxycarbamoyl-2-methyl-propyl)-(2-morpholin-4-yl-ethyl)-sulfamoyl]-4-pentyl-benzamide
+c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc4c(n3CCO)cc(cc4Cl)Cl	I53	2-[2-[[3-(1~{h}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol
+CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3	I57	2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-d-galacto-non-2-en  onic acid
+[H]/N=C(/C)\NCC[C@H](C[C@@H](C(=O)O)N)F	I58	4r-fluoro-n6-ethanimidoyl-l-lysine
+c1ccc2c(c1)cccc2[C@@H](O)P(=O)(O)O	I59	hydroxy(1-naphthyl)methylphosphonic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CI)O)O	I5A	5'-deoxy-5'-iodocytidine
+CN1CCN(CC1)C(=O)c2c3cc(c(cc3[nH]n2)c4ccncc4)OC	I5B	(5-methoxy-6-pyridin-4-yl-1~{h}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)COP(=O)(O)O)O	I5C	5-iodo-2'-deoxy-cytidine-5'-monophosphate
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)NC(=O)N3	I5H	(5s)-5-(1h-indol-3-ylmethyl)imidazolidine-2,4-dione
+c1cc2c(cc1N=C=S)cc(o2)C3=NCCN3	I5I	2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1h-imidazole
+Cc1cc(cc(n1)C)c2cc3c(cc2C4CC4)c(n[nH]3)N[C@@H]5CCNC[C@H]5F	I5N	5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{n}-[(3~{r},4~{r})-3-fluoranylpiperidin-4-yl]-1~{h}-indazol-3-amine
+C1([C@@H]([C@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	I5P	inositol-(1,3,4,5,6)-pentakisphosphate
+c1ccc2c(c1)c(c[nH]2)C[C@@H]3C(=O)Nc4c(cccn4)N3	I5R	(2r)-2-(1h-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2h)-one
+c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl	I5S	isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide
+c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4	I5T	4-oxidanylidene-n-[(1s,2r)-2-phenylcyclopropyl]spiro[3h-chromene-2,4'-piperidine]-1'-carboxamide
+[H]/N=C(\c1cccs1)/Nc2cccc(c2)COC[C@@H](CN)OCc3cccc(c3)/N=C(\c4cccs4)/N	I5U	n',n'-{[(2r)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
+Cc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3	I5W	(~{e})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid
+C1CC1C2=NC(=O)NC(=O)C2	I5Z	6-cyclopropyl-5~{h}-pyrimidine-2,4-dione
+CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc2ccc(c(c2)OC)OC)c3cccc(c3)OCC(=O)O	I63	{3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
+CCOC(=O)c1c2c(ccc(c2CN3CCCC3)O)oc1c4ccccc4	I66	ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate
+CCc1c(c(nc(c1C#N)SCc2ccc(cc2)CNC(=O)CN)N3CCCN(CC3)C)C#N	I67	n-{[4-({[3,5-dicyano-4-ethyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]sulfanyl}methyl)phenyl]methyl}glycinamide
+COc1cc2cc[nH]c2cc1c3ccncc3	I6A	5-methoxy-6-pyridin-4-yl-1~{h}-indole
+Cc1c(nc2c(ccc(c2n1)O)OC)C	I6G	8-methoxy-2,3-dimethylquinoxalin-5-ol
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C(F)F)C(=O)O	I6J	(2s)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
+C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	I6P	inositol 1,2,3,4,5,6-hexakisphosphate
+CCC1=NC(=O)NC(=O)C1	I6R	6-ethyl-5~{h}-pyrimidine-2,4-dione
+CCOC(=O)c1ccc(nc1)c2ccc(cn2)C=O	I6W	ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate
+CCN1C=C(C=C(C1=O)C)[C@]2(c3cccc(c3C(=N2)N)F)c4cccc(c4)c5cc(cnc5)C#CC	I6X	5-{(1r)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1h-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1h)-one
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)N)O)C	I70	(1r,2s,5s)-n-{(2s,3r)-4-amino-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[n-(tert-butylcarbamoyl)-3-methyl-l-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@@H]4CCNC[C@H]4O	I73	(3s,4s)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
+CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@H]4CCNC[C@@H]4O	I74	(3r,4r)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
+CC(=O)c1ccc(c(c1)OC)O	I75	1-(4-hydroxy-3-methoxyphenyl)ethanone
+CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OCc5cccc(c5)Cl)c(ncn2)N	I76	3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc(ncc1C(=O)N)c2ccc(cn2)C(=O)NN	I77	5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide
+Cc1c(c2cc(ccc2s1)Cl)Cn3cc(c4c3cc(cc4)c5cc(cc(c5)N)N)CC(=O)O	I79	{1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1h-indol-3-yl}acetic acid
+c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N	I7A	4,5-dichlorobenzene-1,3-disulfonamide
+c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N	I7B	4-amino-6-chlorobenzene-1,3-disulfonamide
+c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F	I7C	4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
+CC(C)(C)c1ccccc1	I7E	tert-butylbenzene
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC(CC4)C(=O)O	I7K	1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC[C@H](C4)C(=O)N[C@@H](CC(=O)O)C(=O)O	I7N	n-[(3r)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-l-aspartic acid
+[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	I7P	(1r,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)I	I7T	7-iodotetracycline
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC[C@H](C4)C(=O)O	I7V	(3r)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
+COc1cccc(c1)CN2CCC(CC2)C(=O)N	I81	1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
+CNc1c2c(c([nH]n2)c3ccccc3)ncn1	I82	~{n}-methyl-3-phenyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+CN[Pt](N(C)C)(Cl)Cl	I83	bis(chloranyl)-(dimethylamino)-(methylamino)platinum
+Cc1ccccc1CC(=O)Nc2cc(c(c(c2)C)S(=O)(=O)NCC(=O)O)C	I84	[2,6-dimethyl-4-(2-o-tolyl-acetylamino)-benzenesulfonyl]-glycine
+c1cc(cc(c1)C(F)(F)F)C(=O)Nc2cc(ccn2)c3cc4c([nH]3)[C@]5(CCCNC5)CNC4=O	I85	n-{4-[(3s)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide
+C[C@H]1CN(CCO1)S(=O)(=O)N(C)C(C)C	I87	(2s)-n,2-dimethyl-n-(propan-2-yl)morpholine-4-sulfonamide
+CC1(CN(C1(C)C)C(=O)NCC2CC2)C	I8A	n-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide
+c1cc(ccc1C(=O)N2CCSCC2)Cl	I8D	(4-chlorophenyl)(thiomorpholin-4-yl)methanone
+c1cc(ccc1OCC(=O)N2CCCC2)F	I8G	2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one
+CC1(CC1)S(=O)(=O)N2CCC=C(C2)F	I8J	5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine
+c1ccc(c(c1)CN2CCOCC2)O	I8M	2-[(morpholin-4-yl)methyl]phenol
+Cc1ccc2c(c1)sc(n2)CCc3cc(c(c(c3)OC)OC)OC	I8N	6-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole
+[C@@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O	I8P	(1r,3s,4r,5s,6r)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)N)O)S(=O)(=O)O	I8Q	4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
+COc1ccc(cc1O)CCc2nc3cc(c(c(c3s2)OC)OC)OC	I8R	2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol
+c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)O)O	I8U	3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)N)S(=O)(=O)O	I8Y	3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
+c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)NCC(=O)O)O	I91	n-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine
+c1ccc(c(c1)C(=O)CC(=O)C(=O)O)Br	I92	4-(2-bromophenyl)-2,4-dioxobutanoic acid
+Cc1ccc(c(c1Cl)C(=O)CC(=O)C(=O)O)F	I93	4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid
+CC(C)c1ccccc1Nc2[nH]nc(n2)SCc3cccs3	I96	n-(2-isopropylphenyl)-3-[(2-thienylmethyl)thio]-1h-1,2,4-triazol-5-amine
+c1cc(c(cc1N)F)CNC(=O)c2ccc(cc2OCC(=O)O)Cl	I98	{2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
+c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCC[C@H](C4)C(=O)O)O	I99	(3r)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
+COC(=O)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c3ccccc3C2=O	I9C	methyl n-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate
+COC(=O)C[C@](CC(=O)N1CCN(CC1)S(=O)(=O)c2cc3c(cc2O)C(=O)c4ccccc4C3=O)(C(=O)OC)O	I9F	dimethyl (2r)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate
+C1CCc2c(c3c4c(c(nnn4)N5CCN(CC5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)sc3nc2N7CCOCC7)C1	I9G	8-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline
+CCN([C@H]1CN(N=C1c2ccc(cc2)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO	I9H	n-[3-(4-chlorophenyl)-1-{n'-cyano-n-[3-(difluoromethoxy)phenyl]carbamimidoyl}-4,5-dihydro-1h- pyrazol-4-yl]-n-ethyl-2-hydroxyacetamide
+c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCN(CC4)C(=O)C[C@@](CC(=O)O)(C(=O)O)O)O	I9K	(2r)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCNCC4	I9N	1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)NCCC(=O)O	I9Q	n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine
+C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)I	IA	2'-(3-iodophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+c1c(cc(c(c1c2c(c(c([nH]2)Cl)Cl)Cl)O)Cl)Cl	IA2	2,4-dichloro-6-(3,4,5-trichloro-1h-pyrrol-2yl)phenol
+COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2ccccc2F)Cc3ccc(cc3)Cl)/O	IA3	methyl (z)-4-(4-(4-chlorobenzyl)-1-(2-fluorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+CN(CCc1c[nH]c2c1cccc2)CCC3CCCCCC3	IA4	~{n}-(2-cycloheptylethyl)-2-(1~{h}-indol-3-yl)-~{n}-methyl-ethanamine
+COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2cccc(c2)Br)Cc3ccc(cc3)Cl)/O	IA5	methyl (z)-4-(1-(3-bromobenzyl)-4-(4-chlorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+CC(C)(C)c1nc(c2c(c(c(nc2n1)N)C#N)N)c3nccs3	IA7	5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile
+Cc1c(ccc(c1Cl)C(=O)Nc2cc(ccc2N3CCN(CC3)C)N(=O)=O)F	IA9	2-chloro-4-fluoro-3-methyl-n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
+C1C=CC=C\2C1=N/C(=C\3/C4=CC=CCC4=NC3=O)/C2=N/OCC(=O)O	IAA	({[(3e)-2'-oxo-2',7'-dihydro-2,3'-biindol-3(7h)-ylidene]amino}oxy)acetic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO	IAB	iso-acarbose
+c1ccc2c(c1)c(c[nH]2)CC(=O)O	IAC	1h-indol-3-ylacetic acid
+c1ccc2c(c1)c(c[nH]2)CC(=O)N[C@@H](CC(=O)O)C(=O)O	IAD	n-[1h-indol-3-yl-acetyl]aspartic acid
+c1ccc2c(c1)c(c[nH]2)CC(=O)NCC(=O)O	IAG	n-[1h-indol-3-yl-acetyl]glycine acid
+CC(C)NCc1ccc(cc1)C[C@@H](C(=O)O)N	IAM	4-[(isopropylamino)methyl]phenylalanine
+CO[C@@H](c1ccccc1)[P@@](=O)(O)OC	IAN	methyl hydrogen (r)-[(r)-methoxy(phenyl)methyl]phosphonate
+B(c1cccc(c1)NC(=O)CI)(O)O	IAP	4-iodo-acetamido phenylboronic acid
+Cc1ccccc1Nc2c3cncn3c4cc(c(cc4n2)F)N(C)C(=O)/C=C\CN(C)C	IAQ	(2z)-4-(dimethylamino)-n-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-n-methylbut-2-enamide
+[H]/N=C(\CCCN/C(=N/[H])/N)/C(=O)O	IAR	(2e)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid
+C([C@@H](C(=O)O)N)C(=O)O	IAS	beta-l-aspartic acid
+CC(C)[C@@H](C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2	IAV	n-[1h-indol-3-yl-acetyl]valine acid
+C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(c(c6)I)OC	IB	2'-(3-iodo-4-methoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+COc1cc(c(c(c1)F)C(=O)c2ccnc(n2)Nc3ccc(cc3)C#N)F	IB1	4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@](=O)(O)O[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)O)O)N	IB2	p1-p2-methylene-p3-thio-diadenosine triphosphate
+Cc1ccc(cc1)[C@H](CCC(=O)N(C)O)P(=O)(O)O	IB3	[(1s)-4-[hydroxy(methyl)amino]-1-(4-methylphenyl)-4-oxobutyl]phosphonic acid
+CC(C)(C)c1cc(n[nH]1)NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3	IB5	~{n}-(5-~{tert}-butyl-1~{h}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide
+CN(C)CC[N@@](C)[C@@H]1Cn2c3cc(ccc3c(c2-c4ccccc4OC1)C5CCCCC5)C(=O)O	IB8	(7r)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6h-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid
+CCC(CC)Nc1cc(ccc1N2C(=O)CC[C@@]2(CN)CO)C(=O)O	IBA	4-[(2r)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid
+c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C6NCCN6)O	IBB	5-(2-imidazolinyl)-2-[2-(4-hydroxyphenyl)-5-benzimidazolyl]benzimidazole
+C1CC=C(c2c(onc2O)C1)C[C@@H](C(=O)O)N	IBC	3-(3-hydroxy-7,8-dihydro-6h-cyclohepta[d]isoxazol-4-yl)-l-alanine
+CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN(CC)CC	IBD	2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide
+c1(c(c(c(c(c1F)F)I)F)F)F	IBF	1,2,3,4,5-pentafluoro-6-iodobenzene
+c1ccc(c(c1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)I	IBG	gamma-glutamyl[s-(2-iodobenzyl)cysteinyl]glycine
+Cc1csc(n1)[C@@](C)(C2=NN/C(=N/C(=O)Cc3c(cccc3F)F)/S2)O	IBH	(nz)-2-[2,6-bis(fluoranyl)phenyl]-n-[5-[(1s)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3h-1,3,4-thiadiazol-2-ylidene]ethanamide
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C(C)C)Nc3ccc(cc3OC)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)C	IBI	n-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7r)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide
+CC(C)CNC(=O)COCc1cc(on1)c2cccs2	IBK	n-isobutyl-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide
+CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C	IBM	3-isobutyl-1-methylxanthine
+CC(C)CN	IBN	2-methylpropan-1-amine
+CC(C)C(=O)N	IBO	2-methylpropanamide
+CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O	IBP	ibuprofen
+CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)I)O	IBQ	iodo-bedaquiline
+c1cc(c(cc1N)C=O)CC(=O)OCCBr	IBR	(2-bromoethyl)(2-'formyl-4'-aminophenyl) acetate
+C(C(=O)CO[P@](=O)(O)OC1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O	IBS	l-alpha-glycerophospho-d-myo-inositol-4,5-bis-phosphate
+CC(C)COC(=O)O	IBU	2-methylpropyl hydrogen carbonate
+c1ccc(c(c1)CS)I	IBZ	2-iodobenzylthio group
+C1=CN(C(=NC1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	IC	isocytidine-5'-monophosphate
+COc1cc(c(c(c1)OC)\C=C\2/c3ccccc3NC2=O)OC	IC1	3-[(2,4,6-trimethoxy-phenyl)-methylene]-indolin-2-one
+c1cc(c(cc1C(F)(F)F)[N+](=O)O)n2c(c(cn2)C#N)N	IC3	[2-(5-amino-4-cyano-1h-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCCn2ccnc2	IC6	(2s)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid
+Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4cnc5c4ncnc5N	IC8	2-[(6-amino-9h-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one
+Cc1ccc(cc1)CS(=O)(=O)CNC	IC9	n-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine
+C([C@@H]([C@H](C(=O)O)O[Ca])C(=O)O)C(=O)O	ICA	isocitrate calcium complex
+c1ccc2c(c1)cc([nH]2)C(=O)O	ICB	1h-indole-2-carboxylic acid
+C1CCC(=O)NCC1	ICC	azepan-2-one
+Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)[N@]2C)O	ICD	4-hydroxy-2-methyl-n-(5-methyl-1,2-oxazol-3-yl)-2h-1,2-benzothiazine-3-carboxamide 1,1-dioxide
+C12345[Fe]6[S]7[Fe]18S[Fe]29[S]1[Fe]3[S]2[Fe]4([S]9[Mo]12)S[Fe]51[S]6[Fe]7[S]81	ICE	iron-sulfur-molybdenum cluster with interstitial carbon
+[C@H](C(F)(F)F)(OC(F)F)Cl	ICF	1-chloro-2,2,2-trifluoroethyl difluoromethyl ether
+C12345[Fe@]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)[Se][Fe]52[S]8[Mo]9[S]12	ICG	iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated
+C12345[Fe]67[S]8[Fe]19[S]1[Fe]8[S]6[Fe]21[Se][Fe]31[S]2[Fe]4([Se]7)[S]3[Fe]5([S]1[Mo]32)[Se]9	ICH	iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated
+C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O	ICI	isocitric acid
+CCCC[C@@H](C[C@H](C(C)C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	ICJ	(1r,3s,5z)-5-[(2e)-2-{(1r,3as,7ar)-1-[(1r,2s,4r)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4h-inden-4-yli dene}ethylidene]-4-methylidenecyclohexane-1,3-diol
+CC(C)[C@@H](C(=O)Nc1cccc(c1C=O)Cl)NC(=O)OC(C)(C)C	ICL	[1-(3-chloro-2-formyl-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester
+CC(C)[C@@](C)(C#N)O	ICN	(s)-2-hydroxy-2,3-dimethylbutanenitrile
+c1ccc2c(c1)c(c[nH]2)C(=O)O	ICO	1h-indole-3-carboxylic acid
+CC1=NC(=N)C(=C)C=N1	ICP	2-methyl-5-methylene-5h-pyrimidin-4-ylideneamine
+[H]/N=C\1/[C@@H](N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O	ICR	(4r)-5-imino-1-(5-o-phosphono-beta-d-ribofuranosyl)-4,5-dihydro-1h-imidazole-4-carboxylic acid
+C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12	ICS	iron-sulfur-molybdenum cluster with interstitial carbon
+C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O	ICT	isocitric acid
+CC(=O)O[C@H](c1ccc(cc1C(=O)O)N)C(=O)OC	ICU	methyl(2-acetoxy-2-(2-carboxy-4-amino-phenyl))acetate
+COC(=O)CNC(=O)CCC\C=C/NC(=O)c1ccc(cc1)Cc2ccc(cc2)I	ICX	methyl n-[(5z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-5-enoyl]glycinate
+c1ccc(c(c1)CSC[C@@H](C(=O)O)N)I	ICY	s-(2-iodobenzyl)-l-cysteine
+C12345[Fe]6[S]7[Fe]1[S]8[Fe]7[S]6[Fe]28S[Fe]39[S]1[Fe]4[S]2[Fe]5[S]9[Mo]21	ICZ	iron-sulfur-molybdenum cluster with interstitial carbon
+CNC(=O)c1c2c([nH]n1)CCCC2	ID0	n-methyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxamide
+C[C@H]([C@@H](C=O)[C@H]1C[C@H](C(=N1)C(=O)O)SCC/N=C\N)O	ID1	 imipenem
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O	ID2	5-iododeoxyuridine
+CC1=C(C(CCC1)(C)C)/C=C/C(=O)C	ID3	(3e)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
+c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)CC3CCCCC3	ID4	4-[4-(cyclohexylmethyl)-1h-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide
+c1cc(c(cc1F)OCC(=O)O)C(=O)NCc2nc3c(c(cc(c3s2)F)F)F	ID5	[5-fluoro-2-({[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]amino}carbonyl)phenoxy]acetic acid
+CCOC1=CC=CC(=O)c2c1c(n(c2C)Cc3ccc(cc3)Cl)C	ID6	2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2h)-one
+Cc1cccc(c1C)Nc2ccccc2C(=O)O	ID8	2-[(2,3-dimethylphenyl)amino]benzoic acid
+CCCc1cc2cc([nH]c2c(c1)CC(=O)O)CC(=O)N	IDA	(2-carbamoylmethyl-5-propyl-octahydro-indol-7-yl)acetic acid
+c1c(c(c(c(c1I)NC(=O)CCCCC(=O)Nc2c(cc(c(c2I)C(=O)O)I)I)I)C(=O)O)I	IDB	3-[5-[(3-carboxy-2,4,6-triiodo-phenyl)carbamoyl]pentanoylamino]-2,4,6-triiodo-benzoic acid
+c1cn2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	IDC	(5r,6r,7r,8s)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-d-glucopyranoside
+c1ccc(cc1)c2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O	IDD	(5r,6r,7s,8s)-5-(hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
+c1ccc(cc1)NCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O	IDE	(5r,6r,7s,8s)-3-(anilinomethyl)-5,6,7,8-tetrahydro-5-(hydroxymethyl)-imidazo[1,2-a]pyridine-6,7,8-triol
+[C@H]1([C@H]([C@@H](O[C@]([C@H]1O)(C(=O)O)F)F)O)O	IDF	5-fluoro-alpha-l-idopyranosyluronic acid fluoride
+C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N	IDG	2,6-diamino-2,6-dideoxy-beta-l-idopyranose
+C1[C@@H](C(=O)NC(=O)N1)I	IDH	(5s)-5-iododihydro-2,4(1h,3h)-pyrimidinedione
+c1cc2c(cc1I)CNCC2	IDI	7-iodo-1,2,3,4-tetrahydro-isoquinoline
+C1[C@@H]([C@H]([C@@H]([C@@H](N1)C(=O)O)O)O)O	IDJ	(2r,3r,4r,5s)-3,4,5-trihydroxypiperidine-2-carboxylic acid
+c1cc(cc(c1)NS(=O)(=O)CC2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5	IDK	n-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1h-indazol-3-yl]cyclopropanecarboxamide
+c1ccn2c(c1)ncc2CC(=O)O	IDL	imidazo[1,2-a]pyridin-3-ylacetic acid
+c1ccc2c(c1)CCN2	IDM	indoline
+Cn1cc(c2c1cccc2)CN(C)C(=O)\C=C\c3cc4c(nc3)NC(=O)CC4	IDN	(e)-n-methyl-n-(1-methyl-1h-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-[1,8]naphthyridin-3-yl)-acrylamide
+[I-]	IDO	iodo group
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N=CNC2=O	IDP	inosine-5'-diphosphate
+CCCCc1nc2c(n1Cc3ccc(cc3)CN)c4ccccc4nc2N	IDQ	1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O	IDR	alpha-l-idopyranuronic acid
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O	IDS	2-o-sulfo-alpha-l-idopyranuronic acid
+[C@H]1([C@H](C(=C(O[C@H]1O)C(=O)O)O)O)O	IDT	4,5-dehydro-l-iduronic acid
+[C@@H]1([C@H]([C@@H](O[C@@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O	IDU	2-o-sulfo-beta-l-altropyranuronic acid
+CN(C)S(=O)(=O)Nc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)C4CC4	IDV	n-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1h-indazol-3-yl)cyclopropanecarboxamide
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@H]1OS(=O)(=O)O)O)C(=O)O)O)O	IDX	2-o-sulfo-alpha-l-gulopyranuronic acid
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)OS(=O)(=O)O	IDY	1-o-methyl-2-o-sulfo-alpha-l-idopyranuronic acid
+c1ccc2c(c1)c(n[nH]2)c3[nH]c4ccccc4n3	IDZ	3-(1h-benzimidazol-2-yl)-1h-indazole
+Cc1ccc-2c(n1)SCc3c2n(nc3)c4ccc(cc4)S(=O)(=O)N	IE2	4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4h)-yl)benzenesulfonamide
+c1cc-2c(cnc2[nH]c1)c3ccc(s3)S(=O)(=O)NCCN	IE4	n-(2-aminoethyl)-5-{1h-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide
+Cc1cc2c(ccnc2[nH]1)c3ccc(s3)S(=O)(=O)NCCN	IE6	n-(2-aminoethyl)-5-{2-methyl-1h-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide
+c1ccc(cc1)[C@H](CN)Oc2cc(c(nc2)c3ccoc3)c4c[nH]c5c4cccn5	IE8	5-[(1r)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1h-pyrrolo[2,3-b]pyridin-3-yl}pyridine
+Cc1ccc(cc1)CNc2cc(nc(n2)N)Cl	IEE	6-chloro-4-n-[(4-methylphenyl)methyl]pyrimidine- 2,4-diamine
+CC(C)O[P@](=O)(CCCCCCCCCCCC=C)F	IEF	propan-2-yl (r)-tridec-12-en-1-ylphosphonofluoridate
+Cc1ccccc1S(=O)(=O)N	IEJ	o-toluenesulfonamide
+[H]/N=C(/C)\NCCCC[C@@H](C(=O)O)N	IEL	n~6~-[(1z)-ethanimidoyl]-l-lysine
+CC(C)CO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C	IEM	2-methylpropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid
+c1cc(c2c(c[nH]c2c1C(=O)N)C#N)OC3CCNCC3	IEO	3-cyano-4-(piperidin-4-yloxy)-1h-indole-7-carboxamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC	IEP	[(2~{s})-1-octadecanoyloxy-3-[oxidanyl-[(1~{r},2~{r},3~{s},4~{s},5~{s},6~{s})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)NC(=O)CCCCCCC(=O)NO)NC(=O)OC(C)C	IES	propan-2-yl n-[(2s,4r)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2h-quinolin-4-yl]carbamate
+c1cc(c(c(c1)Cl)CC(=N)NC(=S)Nc2ccc(cc2)C#N)Cl	IET	1-(4-cyano-phenyl)-3-[2-(2,6-dichloro-phenyl)-1-imino-ethyl]-thiourea
+c1cc(ccc1CC2C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O	IEY	{5-hydroxy-4-(4-hydroxybenzyl)-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-1h-imidazol-1-yl}acetic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C2C[C@H](C[C@H]2C(=C(F)F)C(F)(F)F)C(=O)O)O	IF1	(1s,3s,4s)-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid
+CNc1c2c(nc(n1)NC)n(cn2)C	IF3	~{n}2,~{n}6,9-trimethylpurine-2,6-diamine
+[H].C(CCCCN=[N+]=[N-])CCCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O	IF6	(1r,2s,3r,4s,5s,6r)-7-(8-azidooctyl)-3,4,5-trihydroxy-
+C1[C@@H]([C@@H]([C@@H](C(=O)N1)O)O)CO	IF7	(3s,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one
+COC(=O)CCNC(=O)c1cc(cc(c1O)I)c2ccc(cc2F)F	IFA	methyl n-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alaninate
+c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)NCCC(=O)O	IFB	n-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alanine
+Cc1ccc(cc1NC(=O)c2ccno2)NC(=O)c3cc(cc(c3)n4cc(nc4)C)C(F)(F)F	IFC	n-[2-methyl-5-({[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-5-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](CN1)CO)O)O	IFG	(2r,3r,4s,5r)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine
+C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO	IFL	(3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one
+C1[C@@H]([C@H]([C@@H](CN1)O)O)CO	IFM	5-hydroxymethyl-3,4-dihydroxypiperidine
+C=C1C=NC(=NC1=N)C(F)(F)F	IFP	2-trifluoromethyl-5-methylene-5h-pyrimidin-4-ylideneamine
+CC(C)OP(=O)(c1ccccc1CS)OC(C)C	IFS	bis(1-methylethyl) [2-(sulfanylmethyl)phenyl]phosphonate
+CNc1c2c(c([nH]n2)Br)ncn1	IFZ	3-bromanyl-~{n}-methyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	IG	isoguanosine-5'-monophosphate
+c1c([nH]cn1)[C@@H]([C@H](COP(=O)(O)O)O)O	IG2	(2s,3s)-2,3-dihydroxy-3-(1h-imidazol-5-yl)propyl dihydrogen phosphate
+c1[nH]c2c(n1)NC(=O)N=C2N	IGA	6-amino-3,7-dihydro-2h-purin-2-one
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)NC(=O)CCCCCCC)O	IGC	n-[(1s,2r,3e)-1-({[alpha-d-galactopyranosyl-(1->3)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}methyl)-2-h ydroxyheptadec-3-en-1-yl]octanamide
+Cc1cc(c(s1)C)S(=O)(=O)NC	IGF	n,2,5-trimethyl-3-thiophenesulfonamide
+c1ccc2c(c1)CC(C2)[C@H](C(=O)O)N	IGL	alpha-amino-2-indanacetic acid
+c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)O	IGM	2,4-bis(chloranyl)-n-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4h-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide
+C1CCC(CC1)C[C@H](C(=O)N2CCCC[C@H]2C(=O)NCCCNC(=N)N)NCC(=O)O	IGN	{[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid
+c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O	IGP	indole-3-glycerol phosphate
+CC1=C(C(=O)N(C(=O)N1)C)N	IGT	5-azanyl-3,6-dimethyl-1h-pyrimidine-2,4-dione
+C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O	IGU	2'-deoxyisoguanine-5'-monophosphate
+COC1=CC(=O)NC(=O)N1	IGX	6-methoxy-1h-pyrimidine-2,4-dione
+c1cc(ccc1S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)C(=N)N)Br	IH1	2-[2-(4-bromo-benzenesulfonyl)-ethyl]-1-3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide
+[H]/N=C(\C1CCC(CC1)CNC(=O)[C@@H]2C=C(CN3N2C(=O)N(C3=O)CC(c4ccccc4)c5ccccc5)C)/N	IH2	2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo [1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide
+CC1=C[C@H](N2C(=O)N(C(=O)N2C1)CC(c3ccccc3)c4ccccc4)C(=O)NC5CCC(CC5)c6cnc([nH]6)N	IH3	2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4] triazolo[1,2-a]pyridazine-5-carboxylic acid [4-(2-amino-3h-imidazol-4-yl)-cyclohexyl]-amide
+CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)CC(=O)OC)C4CCN(CC4)Cc5[nH]ccn5	IH4	n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)
+CC(C)c1cc(ccc1O)Oc2c(cc(cc2Cl)CC(=O)O)Cl	IH5	{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid
+CC#CCOc1ccc(cc1)S(=O)(=O)[N@@]2CCSC([C@@H]2C(=O)NO)(C)C	IH6	(3s)-4-{[4-(but-2-ynyloxy)phenyl]sulfonyl}-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
+c1cc(cc(c1)O)CNCCS(=O)(=O)O	IH9	2-[(3-hydroxybenzyl)amino]ethanesulfonic acid
+COc1cccc(c1c2cnnc(n2)NCc3nc4cc(ccc4s3)OCC(=O)O)OC	IHA	{[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid
+c1cc(c(cc1C(=O)O)I)O	IHB	3-iodo-4-hydroxybenzoic acid
+c1cc(c(c(c1)Cl)c2cnnc(n2)NCc3nc4cc(ccc4s3)OCC(=O)O)Cl	IHC	{[2-({[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid
+CCCCCCCCCCCCCCCCI	IHD	1-iodohexadecane
+CN1CCN(CC1)CCn2cnc3c2nc(nc3NC4CCCCC4)C#N	IHE	6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9h-purine-2-carbonitrile
+CCC1=C(C(=O)NC(=O)N1)N	IHF	5-azanyl-6-ethyl-1h-pyrimidine-2,4-dione
+CC(C)NC(=N)NO	IHG	n-isopropyl-n'-hydroxyguanidine
+c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)CC#N)Nc4cc([nH]n4)C5CC5	IHH	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile
+c1ccc(c(c1)Nc2c3c(nc(n2)C#N)n(cn3)C4CCCC4)OCCCn5ccnc5	IHI	9-cyclopentyl-6-[2-(3-imidazol-1-yl-propoxy)-phenylamino]-9h-purine-2-carbonitrile
+CN1CCN(CC1)CCCOc2ccccc2Nc3c4c(nc(n3)C#N)n(cn4)C5CCCC5	IHJ	9-cyclopentyl-6-{2-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenylamino}-9h-purine-2-carbonitrile
+CC(=O)Nc1cccc(c1)c2ccn(n2)[C@@H](Cc3cc[n+](cc3)[O-])c4ccc(c(c4)OCC5CC5)OC(F)F	IHM	n-(3-{1-[(1s)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-4-yl)ethyl]-1h-pyrazol-3-yl}phenyl)acetamide
+C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	IHP	inositol hexakisphosphate
+CCCCCCCC1=C(C(=O)c2ccccc2N1O)I	IHQ	2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one
+Cc1c2c(c(ncn2)NC3CC3)n[nH]1	IHR	~{n}-cyclopropyl-3-methyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	IHS	d-myo-inositol-hexasulphate
+COc1ccc(cc1NC(=O)NC(=O)c2ccc(cc2Cl)F)O	IHU	n-(2-chloro-4-fluorobenzoyl)-n'-(5-hydroxy-2-methoxyphenyl)urea
+CN1CCN(CC1)c2cnc3cc(cc(c3n2)c4cccc(c4)O)C(F)(F)F	IHX	3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
+Cc1ccc(cc1Nc2cc(cnc2)C(=O)N)C(=O)Nc3cccc(c3)C(F)(F)F	IHZ	5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide
+c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N	II2	5-amino-2-{4-[(4-aminophenyl)sulfanyl]phenyl}-1h-isoindole-1,3(2h)-dione
+Cc1cccc(c1)n2cnc3c2ccc(c3)N	II4	1-(3-methylphenyl)-1h-benzimidazol-5-amine
+C[C@@H]1C[C@@H](C[C@@H](C1)CO)CN	II6	[(1r,3s,5r)-3-(aminomethyl)-5-methyl-cyclohexyl]methanol
+CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)c5ccc(s5)Cl	IIA	1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide
+Cc1cccc2c1n(c(c2C#N)C(=O)NC3CCN(CC3)C(C)C)Cc4cc(on4)c5ccc(s5)Cl	IIB	1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-3-cyano-n-(1-isopropylpiperidin-4-yl)-7-methyl-1h-indole-2-carboxamide
+c1c([nH]cn1)CC2=NC(N(C2=O)CC(=O)O)[C@H](CO)N	IIC	4-imidazolmethylene-5-imidazolone chromophore
+CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cccc(c4)OC	IID	n-(1-isopropylpiperidin-4-yl)-1-(3-methoxybenzyl)-1h-indole-2-carboxamide
+CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2CC(=O)Nc4ccc(cc4)Cl	IIE	1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide
+C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(C4CC4)O)(C(F)(F)F)O	IIG	n-cyclopropyl-n-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
+c1cc2c(c(c1)Cl)oc(n2)c3cc(c(c(c3)I)O)I	IIH	4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol
+CN(C)c1c2ccccc2nc(n1)N3CCCC3	III	~{n},~{n}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine
+CC[C@@H](C)[C@@H](C(=O)O)N	IIL	iso-isoleucine
+CN1C(=O)c2ccccc2[C@]1(c3ccccc3)N	IIN	2-methyl-3-amino-3-phenylisoindol-1-one
+Cn1ccnc1C(=O)Nc2cn(c(n2)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C	IIP	imidazole-pyrrole polyamide
+Cc1cccc(c1)CNCCS(=O)(=O)O	IJ1	2-[(3-methylbenzyl)amino]ethanesulfonic acid
+c1cc(oc1)CNCCS(=O)(=O)O	IJ2	2-[(furan-2-ylmethyl)amino]ethanesulfonic acid
+Cc1cc(ccc1F)CNCCS(=O)(=O)O	IJ4	2-[(4-fluoro-3-methylbenzyl)amino]ethanesulfonic acid
+C1CCC(CC1)CNCCS(=O)(=O)O	IJ6	2-[(cyclohexylmethyl)amino]ethanesulfonic acid
+COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CCP(=O)(O)O	IJE	{2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid
+C1(=C(NC(=O)NC1=O)C(=O)O)N	IJZ	5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N	IK1	5-phenyl-2-ureidothiophene-3-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O	IK2	4'-deoxy-4'-acetylyamino-pyridoxal-5'-phosphate
+c1cc(ccc1COc2ccc3ccc(cc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)C#N	IK4	n-({7-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid
+CN(C)Cc1nccn1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4ccc5c(c4)c(no5)N)C(F)(F)F	IK8	1-(3-amino-1,2-benzisoxazol-5-yl)-n-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl) -1h-pyrazole-5-carboxamide
+c1cc2c(cc1CC3=Nc4cc(cc(c4C5=NC(=N)NN35)NCCO)F)OCO2	IK9	2-{[(2z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol
+C1C=C[C@H]2[C@@H](N1)[C@@H]3C(=O)N[C@H]([C@@]3(O2)CC(=O)O)C(=O)O	IKM	(4as,5ar,6r,8as,8bs)-5a-(carboxymethyl)-8-oxo-2,4a,5a,6,7,8,8a,8b-octahydro-1h-pyrrolo[3',4':4,5]furo[3,2-b]pyridine-6-carboxylic acid
+Cc1cc(c(cc1I)C)OCc2ccccc2/C(=N\OC)/C(=O)OC	IKR	methyl (2e)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate
+C[C@@H]([C@@H](CCCCCC(=O)O)CC(=O)O)N	IKT	3-(1-aminoethyl)nonanedioic acid
+c1c(cc(nc1C(=O)O)C(=O)O)N2C=C(NN2)CCO	IKX	4-(4-(2-hydroxyethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid
+c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F	IKY	n-hydroxy-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
+CC[C@H](C)[C@@H](C(O)O)N	IL0	(2s,3s)-2-amino-3-methylpentane-1,1-diol
+CC#CC[C@@H](C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O	IL2	(5e)-5-[(3as,4r,5r,6as)-5-hydroxy-4-[(1e,3s,4r)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1h)-ylidene]pentanoic acid
+CC#CCOc1ccc(cc1)CNS(=O)(=O)N	IL3	1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene
+c1cc2c(cc1S(=O)(=O)N)S(=O)(=O)NC2=O	IL5	3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide
+CC[C@H](C)[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	ILA	n-[isoleucinyl]-n'-[adenosyl]-diaminosufone
+c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O)F	ILB	2-({[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopent-1-ene-1-carboxylic acid
+COc1cccc(c1)c2ccc(c(c2)F)NC(=O)c3ccsc3C(=O)O	ILC	3-{[(3-fluoro-3'-methoxybiphenyl-4-yl)amino]carbonyl}thiophene-2-carboxylic acid
+CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@](O2)(CC)[C@H](C)O)C)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C	ILD	(4r,5s)-3-[(2r)-2-{(2s,2'r,4s,5s,5'r)-2,5'-diethyl-5'-[(1s)-1-hydroxyethyl]-4-methyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
+CC[C@H](C)[C@@H](C(=O)O)N	ILE	isoleucine
+CC[C@H](C)[C@@H](C(=O)[O-])[NH-]	ILE_LEO2	l-isoleucine c-terminal deprotonated fragment
+CC[C@H](C)[C@@H](C(=O)O)[NH-]	ILE_LEO2H	l-isoleucine c-terminal protonated fragment
+CC[C@H](C)[C@@H](C(=O)O)N	ILE_LFOH	l-isoleucine free neutral
+CC[C@H](C)[C@@H](C(=O)[O-])[NH3+]	ILE_LFZW	l-isoleucine free zwitterion
+CC[C@H](C)[C@@H]([C-]=O)[NH-]	ILE_LL	l-isoleucine - linking embedded fragment
+CC[C@H](C)[C@@H]([C-]=O)[NH3+]	ILE_LSN3	l-isoleucine n-terminal protonated fragment
+c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)c3ccsc3C(=O)O)F	ILF	3-({[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)thiophene-2-carboxylic acid
+C(C[C@@H](C(=O)O)[NH3+])C=O	ILG	glutamyl group
+c1cc(cc(c1)OC(F)(F)F)c2c(c(c(c(c2F)F)NC(=O)C3=C(CC=C3)C(=O)O)F)F	ILH	2-({[2,3,5,6-tetrafluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopenta-1,3-diene-1-carboxylic acid
+C[C@@H]1C=C[C@@H]([C@H](CN1S(=O)(=O)c2ccccn2)O)NC(=O)[C@H](CC(C)C)NC(=O)c3cc4ccccc4o3	ILI	n-[(1s)-1-({[(3s,4s,7r)-3-hydroxy-7-methyl-1-(pyridin-2-ylsulfonyl)-2,3,4,7-tetrahydro-1h-azepin-4-yl]amino}carbonyl)-3-methylbutyl]-1-benzofuran-2-carboxamide
+c1cc2c(cc1Cl)C(=CC(=O)N2)CN	ILL	4-(aminomethyl)-6-chloroquinolin-2(1h)-one
+CC[C@H](C)[C@@H](C(=O)OC)N	ILM	methyl l-isoleucinate
+CC(=N)NCCC[C@@H](C(=O)O)N	ILO	n5-iminoethyl-l-ornithine
+CC[C@H](C)[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	ILP	n-[o-phosphono-pyridoxyl]-isoleucine
+[H]/N=C(\CCNC(=O)c1cc(cn1C)NC(=O)c2nc(cn2C)NC(=O)CN/C(=N/[H])/N)/N	ILT	monoimidazole lexitropsin
+CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3)N1C)CO	ILV	(2s,5s)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one
+C[C@@H]([C@H](CO)O)[C@@H](C(=O)O)N	ILX	4,5-dihydroxyisoleucine
+CC(C)NCCCC[C@@H](C(=O)O)N	ILY	n~6~-propan-2-yl-l-lysine
+CC(C)[C@@H](c1[nH]ccn1)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	IM1	(2r,4s,5s,1's)-2-phenylmethyl-4-hydroxy-5-(tert-butoxycarbonyl)amino-6-phenyl hexanoyl-n-(1'-imidazo-2-yl)-2'-methylpropanamide
+[H]/N=C/NCCSC1=C(N[C@H](C1)[C@H](C=O)[C@@H](C)O)C(=O)O	IM2	(5r)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-3-[(2-{[(e)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1h-pyrrole-2-carbox ylic acid
+[H]/N=C(\Cc1ccc(c(c1)O)O)/C(=O)O	IM3	(2e)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid
+c1cc(ncc1CN\2CCN/C2=N\[N+](=O)[O-])Cl	IM4	(2e)-1-[(6-chloropyridin-3-yl)methyl]-n-nitroimidazolidin-2-imine
+c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO	IM5	2-amino-7-{[(3r,4r)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4	IM6	4-tert-butyl-n-[6-(1h-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide
+CC1(c2c(c3cc(ccc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	IM7	(5as,12as,13as)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+CC[C@H](CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C	IM8	2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1r)-1-(hydroxymethyl)propyl]acetamide
+Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)N4CCN(CC4)C(=O)CO	IM9	2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol
+C[N+](C)(C)c1ccc(cc1)CNC(=O)c2cc3cc(ccc3n2Cc4cccc(c4)C(=N)N)OCc5ccccc5	IMA	[4-({[5-benzyloxy-1-(3-carbamimidoyl-benzyl)-1h-indole-2-carbonyl]-amino}-methyl)-phenyl]-trimethyl-ammonium
+c1ccc2c(c1)ccnc2NC(P(=O)(O)O)P(=O)(O)O	IMB	[(isoquinolin-1-ylamino)-phosphono-methyl]-phosphonic acid
+CC1=CN(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	IMC	n1-[2-deoxy-ribofuranosyl]-[2-amino-5-methyl-4-oxo-4h-pyrimidine]-5'-monophosphate
+c1c[nH+]c[nH]1	IMD	imidazole
+c1cn(cn1)[Cu](n2ccnc2)(n3ccnc3)(n4ccnc4)([OH2])[OH2]	IME	tetra(imidazole)diaquacopper (ii)
+C1=C[N](=CN1)[Cu+]([N]2=CNC=C2)([N]3=CNC=C3)([N]4=CNC=C4)([OH2])[OH2]	IMF	tetra(imidazole)diaquacopper (i)
+c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O	IMG	1,4-dideoxy-1,4-imino-1-(s)-(9-deazaguanin-9-yl)-d-ribitol
+c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O	IMH	1,4-dideoxy-4-aza-1-(s)-(9-deazahypoxanthin-9-yl)-d-ribitol
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2	IMI	2-iminobiotin
+Cc1c(c2ccccc2n1C)CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)CC4	IMJ	(2e)-n-[(1,2-dimethyl-1h-indol-3-yl)methyl]-n-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
+Cc1ccc2c(c1)nc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	IMK	2-(beta-d-glucopyranosyl)-5-methyl-1-benzimidazole
+CC[C@H](C)[C@@H](C(=O)O)NC	IML	n-methyl-isoleucine
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)I)OC)CC(=O)O	IMM	1-(4-iodobenzoyl)-5-methoxy-2-methyl indole-3-acetic acid
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O	IMN	indomethacin
+c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	IMO	6-o-phosphoryl inosine monophosphate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O	IMP	inosinic acid
+c1cc2cccnc2c(c1)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O	IMQ	(2r,3r,4s)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol
+C1[C@@H]([C@@H]([C@H](N1)CO)O)O	IMR	iminoribitol
+CC[C@@H](CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C	IMS	2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1s)-1-(hydroxymethyl)propyl]acetamide
+Cn1cc(nc1C(=O)O)N	IMT	4-amino-(1-methylimidazole)-2-carboxylic acid
+c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O	IMU	phosphoric acid mono-[5-(2-amino-4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-pyrrolidin-2-ylmethyl] ester
+c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4	IMV	5-[(2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
+CC1=CC(=O)C(=CC1=O)C(C)C	IMW	2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione
+c1ccc2c(c1)C[C@H]([C@@H]2CC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F	IMX	[(1r,2r)-2-{[(5-fluoro-1h-indol-2-yl)carbonyl]amino}-2,3-dihydro-1h-inden-1-yl]acetic acid
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNCC3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC	IMY	1-{[4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1h-imidazol-1-yl]carbonyl}piperazine
+CCOc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CCO)c4ccc(cc4)Br)c5ccc(cc5)Br)OC	IMZ	cis-[4,5-bis-(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
+[In+3]	IN	indium (iii) ion
+CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc4c3cccc4)Cl	IN0	n-{2-[trans-7-chloro-1-(2,2-dimethyl-propyl) -5-naphthalen-1-yl-2-oxo-1,2,3,5-tetrahydro-benzo[e] [1,4]oxazepin-3-yl]-acetyl}-aspartic acid
+CCC(=O)OCC(CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(O)O	IN1	4-(beta-d-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate
+CN(C)C(=O)NN(CCCCN)C(=O)O	IN2	n,n-dimethylcarbamoyl-alpha-azalysine
+CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)c1cccc(c1)OCc2ccccc2)NC(=O)OCc3ccccc3	IN3	1-(n-benzyloxycarbonyl-l-leucinyl)-5-(3-benzyloxy benzoyl)carbohydrazide
+[H]/N=C(\c1cccc(c1)[C@@H](CCc2ccc(cc2)C(=N)N)CC(=O)OC)/N	IN4	+/-methyl 4-(aminoiminomethyl)-beta-[3- inh (aminoimino)phenyl]benzene pentanoate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)P(=O)(O)O)O	IN5	{1-[(3-hydroxy-methyl-5-phosphonooxy-methyl-pyridin-4-ylmethyl)-amino]-ethyl}-phosphonic acid
+CC(C)C[C@@H](c1nc(cs1)C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3	IN6	n-[2-[1-(n-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-n'-(benzyloxycarbonyl-l-leucinyl)hydrazide
+c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)NCC(=O)O	IN7	[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-acetic acid
+c1ccc(cc1)COC(=O)N[C@H](CC(=O)Nc2nnc(s2)S)c3ccccc3	IN8	[2-(5-mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester
+CNC(=O)[C@H](Cc1c(c(c(c(c1F)F)F)F)F)NC(=O)Nc2nnc(s2)S	IN9	2-[3-(5-mercapto-[1,3,4]thiadiazol-2yl)-ureido]-n-methyl-3-pentafluorophenyl-propionamide
+CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2	INA	1,5-bis(n-benzyloxycarbonyl-l-leucinyl)carbohydrazide
+CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCCSC)NC(=O)C	INB	1-octadecyl-2-acetamido-2-deoxy-sn-glycerol-3-phosphoethylmethyl sulfide
+CC(C)C[C@H](C(=O)OC)N(C(=O)C)O	INC	2-(acetyl-hydroxy-amino)-4-methyl-pentanoic acid methyl ester
+c1ccc2c(c1)cc[nH]2	IND	indole
+c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br	INE	3-bromo-7-nitroindazole
+c1ccc(cc1)C[C@H](C(=O)O)NC(=O)NO	INF	d-[(n-hydroxyamino)carbonyl]phenylalanine
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)N	ING	d-[(amino)carbonyl]phenylalanine
+C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2	INH	n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)glycyl-l-arginine-n-phenylamide
+C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-]	INI	5-nitro-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione
+C(CCc1c(nc(nc1O)O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O	INJ	5-(6-d-ribitylamino-2,4-dihydroxypyrimidin-5-yl)-1-pentyl-phosphonic acid
+CC[C@H](COc1ccccc1)O[P@](=O)(C)Cl	INK	(rp,sp)-o-(2r)-(1-phenoxybut-2-yl)-methylphosphonic acid chloride
+COc1cccc(c1)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4	INL	6-[n-(3-methoxy-phenyl)-3-(morpholin-4-ylmethyl)-2h-thieno[3,2-e]-1,2-thiazine-1,1,-dioxide]-sulfonamide
+COCCC[N@]1C=C(c2cc(sc2S1(=O)=O)S(=O)(=O)N)N	INM	4-amino-6-[n-(3-methoxylpropyl)-2h-thieno[3,2-e][1,2]thiazine 1,1-dioxide]-sulfonamide
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C	INN	n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-l-valyl-n-(2-aminoethyl)-l-alaninamide
+c1c[n+](c(cc1C(=O)O)O)[O-]	INO	2-hydroxyisonicotinic acid n-oxide
+CC(C)C[C@@H](C[N@]1C[C@H](C(=O)C1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccncc2)NC(=O)OCc3ccccc3	INP	4-[[n-[(phenylmethoxy)carbonyl]-/nl/n-leucyl]amino]-1[(2s)-2-[[[4-(pyridinylmethoxy)carbonyl]amino]-4-methylpent/nyl]-3-pyrrolidinone/n
+c1cc(cc(c1)O)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4	INQ	6-[n-(3-hydroxy-phenyl)-3-(morpholin-4-ylmethyl)-2h-thieno[3,2-e]-1,2-thiazine-1,1,-dioxide]-sulfonamide
+c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/N2	INR	2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid
+C1(C(C(C(C(C1O)O)O)O)O)O	INS	1,2,3,4,5,6-hexahydroxy-cyclohexane
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H](C)NC(=O)OCc2ccccc2	INT	[[phenylmethyloxy-carbonyl]-alaninyl]-valinyl-[phenyl-1-hydroxyprop-2-yl]-amine
+c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)[C@H](C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O	INU	n-(3-cyclopropyl(5,6,7,8,9,10-hexahydro-2-oxo-2h-cycloocta[b]pyran-3-yl)methyl)phenylbenzensulfonamide
+c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F	INV	4-(aminosulfonyl)-n-[(4-fluorophenyl)methyl]-benzamide
+c1cc(ccc1C(=O)NCc2ccc(cc2F)F)S(=O)(=O)N	INW	4-(aminosulfonyl)-n-[(2,4-difluorophenyl)methyl]-benzamide
+CCCCCNC(=O)[C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)O	INX	2-(carboxymethoxy)-5-[(2s)-2-({(2s)-2-[(3-carboxypropanoyl)amino] -3-phenylpropanoyl}amino)-3-oxo-3-(pentylamino)propyl]benzoic acid
+CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl	INY	carpropamide
+CCCCCNC(=O)[C@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)O	INZ	2-{4-[(2s)-2-[({[(1s)-1-carboxy-2-phenylethyl]amino}carbonyl)amino]-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid
+c1ccc(cc1)COc2ccc(cc2)CC(=O)O	IO2	2-(4-phenylmethoxyphenyl)ethanoic acid
+CC[C@@H](Cc1c(cc(c(c1I)O)I)I)C(=O)O	IO3	iophenoxic acid
+CCc1c(c(nc(c1C#N)S[C@@H](c2ccccc2)C(=O)N)N3CCCN(CC3)CCO)C#N	IO5	(2s)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide
+c1cc(ccc1C(=O)NCc2cc(ccc2F)F)S(=O)(=O)N	IOA	4-(aminosulfonyl)-n-[(2,5-difluorophenyl)methyl]-benzamide
+c1cc(cc(c1)I)CO	IOB	3-iodo-benzyl alcohol
+c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O)N	IOC	4-(aminosulfonyl)-n-[(2,3,4-trifluorophenyl)methyl]-benzamide
+[I-]	IOD	iodide ion
+c1cc(ccc1C(=O)NCc2c(cc(cc2F)F)F)S(=O)(=O)N	IOE	4-(aminosulfonyl)-n-[(2,4,6-trifluorophenyl)methyl]-benzamide
+c1cc(ccc1C(=O)NCc2cc(c(c(c2)F)F)F)S(=O)(=O)N	IOF	4-(aminosulfonyl)-n-[(3,4,5-trifluorophenyl)methyl]-benzamide
+C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccc(cc3[nH]c2c4ccccc4)OCCN5CCCCC5	IOG	n-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1h-indol-3-yl]acetamide
+CC(C)O	IOH	2-propanol, isopropanol
+C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4ccccc4	IOK	n-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-(2-phenyl-1h-indol-3-yl)acetamide
+c1cc(ccc1O)I	IOL	4-iodophenol
+CN(CC(=O)O)C(N)N	IOM	(diaminomethyl-methyl-amino)-acetic acid
+C[C@H]1CCCC2=CC[C@@H](C[C@]12C)C(=C)C	ION	aristolochene
+c1cc(c(cc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F)F	IOO	 n7-(3,4-difluorobenzyl) guanosine 5'-monophosphate
+c1ccc2c(c1)c(c[nH]2)CCC(=O)O	IOP	indolylpropionic acid
+C[C@@H]1C(=O)N=C(N1)NCCC[C@@H](C(=O)O)N	IOR	n~5~-[(5r)-5-methyl-4-oxo-4,5-dihydro-1h-imidazol-2-yl]-l-ornithine
+c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O	IOS	3-sulfooxy-1h-indole
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CN[C@@H](CCCNC(=N)N)C(=O)O)O)O)N	IOT	arginine-n-methylcarbonyl phosphoric acid 5'-adenosine ester
+c1ccc(cc1)CS(=O)(=O)O	IOX	phenylmethanesulfonic acid
+c1cc(ccc1C[C@H](C(=O)O)N)I	IOY	p-iodo-d-phenylalanine
+CC(C)c1ccccc1O	IP0	2-(1-methylethyl)phenol
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C	IP1	isopenicillin n
+[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O	IP2	d-myo-inositol-4,5-bisphosphate
+CC(C)CCO	IP3	1-hydroxy-3-methylbutane
+CC1(CCC(=O)N1C)C	IP4	1-methyl-2-oxy-5,5-dimethyl pyrrolidine
+C1([C@@H]([C@@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	IP5	(1r,2s,3r,4s,5s,6r)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]
+c1cc(cc(c1)c2ccc3cc[nH]c3c2)CNc4cccnc4N	IP6	n~3~-[3-(1h-indol-6-yl)benzyl]pyridine-2,3-diamine
+c1ccnc(c1)COc2ccc(cc2CNc3cccnc3N)c4ccc5cc[nH]c5c4	IP7	n~3~-[5-(1h-indol-6-yl)-2-(pyridin-2-ylmethoxy)benzyl]pyridine-2,3-diamine
+CC(=C)CCOP(=O)(O)O	IP8	isopentenyl phosphate
+CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC	IP9	(2r)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate
+CC(C)O	IPA	isopropyl alcohol
+Cc1ccc(c(c1)O)C(C)C	IPB	5-methyl-2-(1-methylethyl)phenol
+Cc1ccc(cc1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C	IPC	3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
+[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O	IPD	d-myo-inositol-1-phosphate
+CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O	IPE	3-methylbut-3-enyl trihydrogen diphosphate
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)C)O)O)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)C	IPF	n-acetyltryptophyl-n~1~-{3-[1-(n-acetyltryptophylvalyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}valinamide
+CC(C)NCC(=O)O	IPG	n-isopropyl glycine
+c1ccc(cc1)O	IPH	phenol
+CC(C)CCP(=O)(O)O	IPI	3-methylbutylphosphonic acid
+c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O	IPJ	4-hydroxy-chalcone
+c1ccc(cc1)CC2CCN(CC2)C(=O)c3ccc(cc3)CSc4[nH]c5cnccc5n4	IPK	2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3h-imidazo[4,5-c]pyridine
+c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O	IPL	indole-3-propanol phosphate
+CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O	IPM	3-isopropylmalic acid
+C1=C(C(=O)NC(=O)N1CC(=O)N(CC[NH3+])CC(=O)O)I	IPN	2-aminoethylglycine-carbonylmethylene-5-iodouracil
+c1cc(ccc1C[C@H](C(=O)NO)N)I	IPO	para-iodo-d-phenylalanine hydroxamic acid
+c1cc(ccc1CC(=O)NC[P@H](=O)O)I	IPP	(p-iodophenylacetylamino)methylphosphinic acid
+CC(C)CCO[P@@](=O)(O)OP(=O)(O)O	IPR	isopentyl pyrophosphate
+OP(=O)([O-])[O-]	IPS	inorganic phosphate group
+CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	IPT	1-methylethyl 1-thio-beta-d-galactopyranoside
+CC(C)SC(=N)N	IPU	s-isopropyl-isothiourea
+Cc1ccc(cc1N(C)c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)CO	IPV	[4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol
+c1cc(ccc1C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl	IPW	(4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]methanone
+c1ccc2c(c1)C[C@H]([C@@H]2CCCC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F	IPX	4-[(1r,2r)-2-{[(5-fluoro-1h-indol-2-yl)carbonyl]amino}-2,3-dihydro-1h-inden-1-yl]butanoic acid
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCC[NH+](C)C	IPY	imidazole-pyrrole polyamide
+CC(C)c1c(nccn1)OC	IPZ	2-isopropyl-3-methoxypyrazine
+C1CCC(C1)C(=O)O	IQ0	cyclopentanecarboxylic acid
+CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4ccncc4	IQ1	3-(2-tert-butyl-5-(pyridin-4-yl)-1h-imidazol-4-yl)quinoline
+Cc1cc2c(cc1NC(=O)C)nc(s2)N	IQ5	n-(2-azanyl-6-methyl-1,3-benzothiazol-5-yl)ethanamide
+c1cc2c(c[nH]c2nc1)c3cc(nc(c3)Cl)NC4CCCCC4	IQ6	6-chloro-n-cyclohexyl-4-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
+COCCNC(=O)c1ccc2c(c1)nc(n2CCOC)c3cnc([nH]3)c4ccc(cc4)Cl	IQ7	2-(2-(4-chlorophenyl)-1h-imidazol-5-yl)-n,1-bis(2-methoxyethyl)-1h-benzo[d]imidazole-5-carboxamide
+c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O	IQA	(5-oxo-5,6-dihydro-indolo[1,2-a]quinazolin-7-yl)-acetic acid
+c1cc2cnccc2c(c1)S(=O)(=O)NCCNC\C=C\c3ccc(cc3)Br	IQB	n-[2-(4-bromocinnamylamino)ethyl]-5-isoquinoline sulfonamide
+c1cc2c(c(c1)O)CC=NC2=O	IQD	5-hydroxyisoquinolin-1(4h)-one
+Cn1c2cc(c3c(c2nc1N)cccn3)NC4=Nc5c(ncn5[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)C(=O)N4	IQG	n-(2-amino-3-methyl-3h-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate)
+COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OC	IQK	n,n'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide)
+[H]/N=C(/c1ncccn1)\NC	IQL	n-methylpyrimidine-2-carboximidamide
+c1ccc(cc1)c2c(nc3cc4c(cc3n2)nc[nH]4)c5ccc(cc5)CN6CCC(CC6)N7c8ccccc8NC7=O	IQO	1-(1-(4-(7-phenyl-1h-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1h-benzo[d]imidazol-2(3h)-one
+C[C@H]1CNCC[N@]1S(=O)(=O)c2cccc3c2ccnc3	IQP	1-(5-isoquinolinesulfonyl)-2-methylpiperazine
+c1cc(cc(c1)C(=O)O)c2cccc(c2)O	IQQ	3-(3-hydroxyphenyl)benzoic acid
+CNCCNS(=O)(=O)c1cccc2c1ccnc2	IQS	n-[2-(methylamino)ethyl]-5-isoquinolinesulfonamide
+c1cc2cnccc2c(c1)S(=O)(=O)NCCN	IQU	n-(2-aminoethyl)isoquinoline-5-sulfonamide
+Cc1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N	IQW	5-(p-tolyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+Cc1c(sc(n1)NC(=O)C)c2cc(c(nc2)F)NS(=O)(=O)c3c(nc(s3)C)C	IQX	n-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
+c1ccc2c(c1)c3c([nH]2)[C@@H]4CCCC[N@]4CC3=O	IQZ	(12bs)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7(6h)-one
+[Ir+4]	IR	iridium ion
+c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(nn4)N=NC5=O	IR1	5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3h-pyrazolo[3,4-c]pyridazin-3-one
+c1ccc2c(c1)c(ccn2)c3ccc4c(c3)C(=O)N(C=N4)c5ccc(cc5)N6CCOCC6	IR2	3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one
+[Ir+3]	IR3	iridium (iii) ion
+CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4ccccn4	IR4	1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone
+CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4CO	IR5	1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone
+CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4S(=O)(=O)C	IR6	1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone
+C([C@@H]1[C@H]([C@H]([C@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O	IR8	[(2r,3s,4r,5r)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]
+C([C@H]1[C@H]([C@H]([C@@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O	IR9	[(2s,3r,4s,5s)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]
+COc1ccc(cc1CC(=O)O)Br	IRA	(5-bromo-2-methoxyphenyl)acetic acid
+c1cc\2c(c(c1)Br)NC(=O)/C2=C\3/C(=N/O)/c4cc(ccc4N3)C(=O)O	IRB	(2z,3e)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid
+CC(C)C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	IRC	s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2r)-2-hydroxy-4-methyl-pentanethioate
+COc1cc2c(cc1OCCCN3CCOCC3)/C(=N/c4ccc(c(c4)Cl)F)/N=CN2	IRE	gefitinib
+Cc1cc2c(cc1I)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	IRF	1-deoxy-1-(8-iodo-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-d-ribitol
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N	IRG	n~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
+COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O	IRH	isorhamnetin
+[NH3][Ir+3]([NH3])([NH3])([NH3])([NH3])[NH3]	IRI	iridium hexammine ion
+CCC[C@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	IRK	(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2s)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+Cc1cc(cc(c1)C(=O)N(C)[C@@H](Cc2ccc(cc2)c3ccccc3)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)O)C	IRL	(2r)-2-({(2s)-3-(biphenyl-4-yl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1h-indol-3-yl)propanoic acid (non-preferred name)
+c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	IRN	1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole
+C1(=C(NC(=O)NC1=O)C(=O)O)I	IRO	5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O	IRP	(1s)-1(9-deazahypoxanthin-9yl)1,4-dideoxy-1,4-imino-d-ribitol-5-phosphate
+CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O	IRR	n-{(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucinamide
+CC(=C)CN	IRS	2-methylprop-2-en-1-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@H]2c3ccc(cc3)OC	IRW	(1s,2s)-1-hydroxy-2-{[n-({[(1r,2r)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)\C=C\c3ccc[n+](c3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O	IS1	3-[(1e)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-d-ribofuranosylpyridinium
+CCc1ccc(cc1)NC(=O)P(=O)(O)O	IS2	[(4-ethylphenyl)amino]carbonylphosphonic acid
+CC(C)CCO[P@@](=O)(O)O[P@](=O)(O)S	IS3	isopentenyl diphosphate beta-s
+Cc1ccc2c(c1)CC(=O)N2C	IS7	1,5-dimethyl-3~{h}-indol-2-one
+C(=N)=S	IS8	isothiocyanate
+c1cc(ccc1C[C@@H](C(=O)O)S)I	ISA	3-(4-iodo-phenyl)-2-mercapto-propionic acid
+CC(C)C(=O)O	ISB	isobutyric acid
+C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O	ISC	(5s,6s)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
+C([C@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O	ISD	isoascorbic acid
+[C@H]1([C@H](C(=O)[C@H]([C@@H](C1O)O)O)O)O	ISE	(2r,3s,4s,5r,6s)-2,3,4,5,6-pentahydroxycyclohexanone
+C[C@@H](c1ccc(cc1)C(=O)c2ccc(s2)I)C(=O)O	ISF	p-(2'-iodo-5'-thenoyl)hydrotropic acid
+CN(C)CCCn1c2c(ccc3c2C[C@@H](O3)CN(C)C)nc1N	ISH	(7r)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1h-furo[3,2-e]benzimidazol-2-amine
+CN(C)CCCn1c2c(ccc3c2C[C@H](O3)CN(C)C)nc1N	ISI	(7s)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1h-furo[3,2-e]benzimidazol-2-amine
+C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O	ISJ	(3r,4r)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O)O)O	ISL	6-o-alpha-d-glucopyranosyl-d-fructose
+COC(=O)Cc1ccc(cc1C(=O)O)N	ISM	5-amino-2-(2-methoxy-2-oxoethyl)benzoic acid
+c1ccc2c(c1)C(=O)C(=O)N2	ISN	isatin
+CC(C)c1ccc(cc1)N	ISO	para-isopropylaniline
+CC(C)OP(=O)(O)O	ISP	phosphorylisopropane
+c1ccc2cnccc2c1	ISQ	isoquinoline
+C(CO)C(=O)CN\C=C\C=O	ISS	(2e)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal
+CC[C@H](C)[C@H]([C@H](CC(=O)O)O)N	IST	isostatine
+[H]/N=C(/N)\[Se]CC	ISU	se-ethyl-isoselenourea
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe@@]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7C2)C=C)C)CCC(=O)O)C	ISW	{3,3'-[(9s)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~]dipropanoato(2-)}iron
+C1[C@@H]([C@H]([C@@H](CN1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CO	ISX	(3r,4r,5r)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-d-glucopyranoside
+CC(=C)CCS[P@@](=O)(O)OP(=O)(O)O	ISY	3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid
+[H]/N=N/C(=O)c1ccncc1	ISZ	4-(diazenylcarbonyl)pyridine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCC[C@@H](C(=O)O)N)O	IT1	(2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
+C1COCCN1C(=S)S	IT2	morpholine-4-carbodithioic acid
+CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O	IT3	(1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+c1ccc(cc1)C2(CCN(CC2)C(=S)S)C#N	IT5	4-cyano-4-phenylpiperidine-1-carbodithioic acid
+CC1=CC(=O)[C@H](CC1)C(=C)C	IT9	(-)-isopiperitenone
+c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)OCC(=O)O	ITA	{4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]isothiazol-2(1h)-yl}acetic acid
+c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)O	ITB	2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]isothiazole-4-carboxylic acid 3,3-dioxide
+C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C(=O)N)O)N(C)C	ITC	iso-7-chlortetracycline
+CC1(CN2C(=CSC2=N1)CS/C(=N\C3CCCCC3)/NC4CCCCC4)C	ITD	(6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl n,n'-dicyclohexylimidothiocarbamate
+CNc1[nH]c2cc3c(cc2n1)N=CNC3=O	ITE	2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S(=O)(=O)O	ITG	(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+c1ccc(cc1)CC(=O)Nc2cccc(c2)c3c(n4ccsc4n3)c5ccnc(n5)Nc6ccc(cc6)N7CCOCC7	ITI	n-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)NC(=O)CC[C@@H](C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)C)C	ITL	(3alpha,5alpha,8alpha)-3-[(n,n-bis{2-[bis(carboxymethyl)amino]ethyl}-l-gamma-glutamyl)amino]cholan-24-oic acid
+C([C@@H]([C@H](C(=O)O)O[Mg])C(=O)O)C(=O)O	ITM	isocitric acid-magnesium complex
+C=C(CC(=O)O)C(=O)O	ITN	2-methylidenebutanedioic acid
+C1([C@@H]([C@H](C([C@H]([C@@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O	ITP	phosphoric acid mono-(2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexyl) ester
+C[C@@]12[C@@H]([C@@H](CC(O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)CCCC4)NC)OC	ITQ	1,2,3,4-tetrahydrogen staurosporine
+c1ccc2c(c1)c(c[nH]2)CC(=N)C(=O)O	ITR	imino-tryptophan
+[C@@H]1(C([C@@H]([C@H](C([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O	ITS	inositol 1,3,4,5-tetrakisphosphate
+c1nc2c(c(n1)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O	ITT	inosine 5'-triphosphate
+CCSC(=N)N	ITU	ethylisothiourea
+C=C(Cc1c[nH]c2c1cccc2)C(=O)O	ITW	2-[(1h-indol-3-yl)methyl]prop-2-enoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@H]2c3ccc(cc3)OC	ITX	(1r,2s)-1-hydroxy-2-{[n-({[(1r,2r)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CCCCCC#CCC#CCC#CCC#CCCCC(=O)O	ITY	icosa-5,8,11,14-tetraynoic acid
+CC[C@H](C)[C@@H](c1nc(cs1)C(=O)O)N	ITZ	2-[(1s,2s)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)I	IU	5-iodouridine-5'-monophosphate
+Cc1cc(c(n1c2ccc(cc2)F)C)C(=O)CN3CCCC3	IU1	1-[1-(4-fluorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C	IU5	iso-ursodeoxycholic acid
+CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O	IU6	6-ethyl-iso-ursodeoxycholic acid
+CCC[C@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O	IUB	(1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2s)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+c1ccc(c(c1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O)[N+](=O)O	IUG	1-(2-nitrophenyl)ethyl udp-galactose
+CN1CC2=C([C@H](NC(=O)N2c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C(=O)N1	IUL	4-[(4r)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile
+[O-][U+4][O-]	IUM	uranyl (vi) ion
+C12=NC(=O)N[C@]1(C(=O)NC(=O)N2)OO	IUP	5-(hydro)peroxoisourate
+C1=C(C(=O)NC(=O)N1)I	IUR	5-iodouracil
+c1cc(c(cc1N/C(=N/O)/c2c(non2)N)Cl)F	IUU	4-amino-n-(3-chloro-4-fluorophenyl)-n'-hydroxy-1,2,5-oxadiazole-3-carboxamidine
+CCOC(=O)C1=C(N(c2[nH]cc[n+]2[C@@H]1c3ccc(cc3)C#N)c4cccc(c4)C(F)(F)F)C	IUY	ethyl (5r)-5-(4-cyanophenyl)-7-methyl-8-[3-(trifluoromethyl)phenyl]-1,5-dihydroimidazo[1,2-a]pyrimidin-4-ium-6-carboxylate
+Cc1c(ccc2c1nc(s2)N)Cl	IV2	5-chloranyl-4-methyl-1,3-benzothiazol-2-amine
+Cc1c-2c(n(n1)C)CN(C(=O)c3ccc(cc3[C@H](Oc4cc2cnc4N)C)F)C	IV7	(10r)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro-1h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one
+CC(C)CC(=O)O	IVA	isovaleric acid
+CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	IVC	isovaleryl-coenzyme a
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)CI	IVF	n-(iodoacetyl)-l-valyl-l-phenylalaninamide
+CCCCSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	IVH	2-(butylsulfanyl)adenosine
+c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)CC(F)(F)F)Cl	IVK	(3r,4r)-n-(4-chlorophenyl)-n'-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3,4-dicarboxamide
+C[N+]1(CCCC1)CCCC(=O)O	IVL	1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium
+CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C	IVM	(2ae,4e,5's,6s,6'r,7s,8e,11r,13r,15s,17ar,20r,20ar,20bs)-6'-[(2s)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2h,7h-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-o-(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)-3-o-methyl-alpha-l-arabino-hexopyranoside
+CCOC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	IVS	3-hydroxy-6-methyl-4-(3-methyl-2-(3-methyl-2-(3-methyl-butyrylamino)-butyrylamino)-butyrylamino)-heptanoic acid ethyl ester
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)NC)C	IVU	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{2-[4-methyl-6-(methylamino)pyridin-2-yl]ethyl}benzonitrile
+CCOC(=O)C[P@](=O)([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	IVV	n-(3-methylbutanoyl)-l-valyl-n-{(1r)-1-[(r)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-l-valinamide
+c1cc(c(c(c1)Cl)/C=C/c2cc(c(c(c2)Br)O)Br)Cl	IW1	2,6-dibromo-4-[(e)-2-(2,6-dichlorophenyl)ethenyl]phenol
+c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl	IW2	2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol
+c1cc(ccc1/C=C/c2cc(c(c(c2)Br)O)Br)N	IW3	4-[(e)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol
+c1cc(cc(c1)N)/C=C/c2cc(c(c(c2)Br)N)Br	IW4	4-[(e)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline
+c1cc(ccc1/C=C/c2cc(c(c(c2)Br)N)Br)N	IW5	4-[(e)-2-(4-aminophenyl)ethenyl]-2,6-dibromoaniline
+COc1cccc(c1/C=C/c2cc(c(c(c2)Br)N)Br)OC	IW6	2,6-dibromo-4-[(e)-2-(2,6-dimethoxyphenyl)ethenyl]aniline
+CCCCCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N	IW7	2-(pentylsulfamoyl)-4-sulfamoylbenzoic acid
+CCN(c1cccc(c1)C)C(=O)C2CCN(CC2)S(=O)(=O)c3cc4c(ccn4C(=O)C)cc3Br	IW8	1-[(1-acetyl-5-bromo-1h-indol-6-yl)sulfonyl]-n-ethyl-n-(3-methylphenyl)piperidine-4-carboxamide
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I	IWD	2-amino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
+Cc1ccc(c(c1)C)CN2C=C(C=CC2=O)C(=O)N	IWH	1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
+c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F	IWP	5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1h-pyrazol-3-yl}pyrimidin-4-ol
+c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6	IWR	4-[(3ar,4s,7r,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide
+c1ccc(cc1)c2nnc(o2)S	IWT	5-phenyl-1,3,4-oxadiazole-2-thiol
+B(c1ccc(c(c1)Cl)/C=C/c2ccc(cc2Cl)B(O)O)(O)O	IWW	[(e)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic acid
+c1cc(ccc1c2ccc(c(c2)NC(=O)C3CCOCC3)N)F	IWX	n-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide
+COC(=O)c1c(cccc1OC\C=C\c2cccc(c2)c3c(c(no3)C(=O)O)CO)O	IX1	5-(3-{3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid
+Cc1c(nc(o1)C)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCC(=C)C)S(=O)(=O)CC(C4)(C)C)O	IX6	(11s)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide
+c1ccc(cc1)C[C@@H](C(=O)NCCCCN=C(N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O	IXA	n-[(2s)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide
+C1=C(O[C@H]([C@@H]([C@@H]1O)OS(=O)(=O)O)O)C(=O)O	IXD	4-deoxy-2-o-sulfo-beta-d-erythro-hex-4-enopyranuronic acid
+CN(c1cc(c(c(c1)F)F)F)c2cc3c(nc(nc3nc2)N)N	IXE	n~6~-methyl-n~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
+CC(C)c1ccc(cc1)N(C)c2cc3c(nc(nc3nc2)N)N	IXF	n~6~-methyl-n~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
+CN(c1ccccc1)c2cc3c(nc(nc3nc2)N)N	IXG	n~6~-methyl-n~6~-phenylpyrido[2,3-d]pyrimidine-2,4,6-triamine
+C[C@H]1CN(C[C@H](N1)C)c2ccc(cc2)Nc3ncc4c(n3)N(C=C(C4=O)C(=O)N)c5ccc6c(c5)CCC6	IXH	8-(2,3-dihydro-1h-inden-5-yl)-2-({4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
+c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2	IXM	(z)-1h,1'h-[2,3']biindolylidene-3,2'-dione-3-oxime
+CCCCCCCCCCCCc1cn(nn1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)c5ccccc5O)O)O)N	IXN	2-(4-dodecyl-1h-1,2,3-triazol-1-yl)-5'-o-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine
+C[N+](C)(C)CC#CCOC1=NOCC1	IXO	4-(4,5-dihydro-1,2-oxazol-3-yloxy)-n,n,n-trimethylbut-2-yn-1-aminium
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNC(=O)CCC(=O)O[C@@H]4c5cc6c(cc5[C@@H]([C@H]7[C@H]4COC7=O)c8cc(c(c(c8)OC)OC)OC)OCO6	IXP	(5s,5as,8as,9s)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate
+CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c3ccc(cc3)F	IXS	n-[(1s)-1-benzyl-2-{[(1s)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-n'-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide
+c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CCNc3ccccc3)c4ccccc4	IXV	n-benzyl-4-phenyl-2-[(n-phenyl-beta-alanyl)amino]thiophene-3-carboxamide
+CCOC(=O)C[C@H]1CO1	IXW	ethyl (2s)-oxiran-2-ylacetate
+CN(C)CCCN1c2ccccc2CCc3c1cccc3	IXX	3-(5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine
+c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CNCCc4c[nH]c5c4cccc5)CCCC3	IXY	n-benzyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+c1ccc(cc1)CNCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4	IXZ	n-benzyl-2-[(n-benzylglycyl)amino]-4-phenylthiophene-3-carboxamide
+Cn1c2ccccc2c3c1C=C(C(=O)N3c4ccc(cc4)[N+](=O)[O-])C#N	IY1	5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido[3,2-b]indole-3-carbonitrile
+c1cc2c(c(c1)O)N=C(NC2=O)c3ccc(cc3)C(F)(F)F	IY5	8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one
+c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCCN	IY7	(2s)-6-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC(=O)N[C@@H](Cc1cc(c(c(c1)I)O)I)C(=O)NCC(=O)O	IYG	n-alpha-acetyl-3,5-diiodotyrosylglycine
+c1c([nH]cn1)[C@@H]([C@@H](COP(=O)(O)O)O)O	IYP	(2r,3s)-2,3-dihydroxy-3-(1h-imidazol-5-yl)propyl dihydrogen phosphate
+c1cc(c(cc1C[C@@H](C(=O)O)N)I)O	IYR	3-iodo-tyrosine
+C[C@H]([C@H](C(=O)O)NC(=O)[C@H](Cc1cc(c(c(c1)I)O)I)NC(=O)C)O	IYT	n-alpha-acetyl-3,5-diiodotyrosyl-d-threonine
+COc1ccc(cc1OC)c2ccc3c(c2)cc(s3)C(N)N	IYX	1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine
+CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NCC4CC4	IYZ	1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}phenyl)ethanone
+c1ccc(cc1)c2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F	IZ1	n-[(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1h-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
+c1ccc(cc1)Cc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F	IZ2	n-[(1s)-1-(4-benzyl-1h-imidazol-2-yl)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide
+c1ccc(c(c1)CC2=C=NC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F)F	IZ3	3-fluoro-n-[(1s)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide
+c1ccc(cc1)CC[C@@H]2CNC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F	IZ4	n-{(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4r)-4-(2-phenylethyl)-4,5-dihydro-1h-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide
+c1ccc(cc1)CCCc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F	IZ5	n-{(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[4-(3-phenylpropyl)-1h-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide
+Cc1ccc(cc1)/C=C/c2c(c3c(nc(nc3[nH]2)N)N)C#N	IZ9	(e)-2,4-diamino-6-(4-methylstyryl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3	IZA	2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz[h]-imidaz[4,5-f]isoquinoline-7-one
+CN1CCOc2c1ccc(c2)S(=O)(=O)N[C@@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)c5[nH]c6ccccc6n5	IZB	n-[(1s)-1-(1h-benzimidazol-2-yl)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2h-1,4-benzoxazine-7-sulfonamide
+C1N=CC(=N1)CC(=O)O	IZC	2h-imidazol-4-ylacetic acid
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N	IZD	isothiazolidinone analog
+c1cc(ccc1C[C@@H](c2[nH]c3ccc(cc3n2)C(F)(F)F)NC(=O)C(F)(F)F)[C@@H]4CC(=O)NS4(=O)=O	IZE	n-{(1s)-2-{4-[(5r)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]ethyl}-2,2,2-trifluoroacetamide
+COC(=O)c1c(cccc1OCCCCCNC(=O)[C@H](Cc2ccc(c(c2)Cl)[C@@H]3CC(=O)NS3(=O)=O)NS(=O)(=O)c4ccccc4)O	IZF	methyl 2-{[5-({3-chloro-4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-n-(phenylsulfonyl)-l-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate
+CN1C2=C(C(=C(C1=O)F)Nc3ccc(cc3F)I)C(=O)N(C=N2)C[C@H](CO)O	IZG	3-[(2r)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione
+CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4	IZN	(4bs,6s)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3h,5h-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one
+C#CCC[C@@H](C(=O)O)N	IZO	(2s)-2-aminohex-5-ynoic acid
+C[C@H](c1ccc(cc1)CC(C)C)C(=O)O	IZP	(2r)-2-[4-(2-methylpropyl)phenyl]propanoic acid
+c1ccc(cc1)c2nc(on2)[C@@H](c3ccccc3)Oc4cccc5c4cc(s5)C(N)N	IZX	1-{4-[(r)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine
+CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3cccc(c3)N	IZZ	(2s)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol
+B1(c2ccccc2[C@H](O1)C(=C)C(=O)O)O	J00	2-[(3s)-1-oxidanyl-3h-2,1-benzoxaborol-3-yl]prop-2-enoic acid
+C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O	J01	(2r,3z,5r)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)[N+](=O)[O-])S(=O)(=O)O	J02	2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid
+COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O	J03	(2~{r},3~{s},5~{r})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
+COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(c(cc3c2)OC)OS(=O)(=O)N	J04	7-methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium
+CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Br)S(=O)(=O)O	J05	1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid
+C[C@H](CCC[C@H](C)CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC[C@H](C)CCOP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)CCCC(C)C	J06	[(3s,6z,10z,14z,18z,22z,26z,30z,34z,39s,43s)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34-octaenyl] dihydrogen phosphate
+CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl	J07	4-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-n-ethylpiperidine-1-carboxamide
+[H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)\N	J08	4-[(5-phenyl-1~{h}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
+C[C@]12C=Cc3c(ccc4c3cc(c(c4)OS(=O)(=O)N)OC)[C@@H]1CC[C@@H]2OS(=O)(=O)N	J0A	(13alpha,17alpha)-2-methoxyestra-1,3,5,7,9,11-hexaene-3,17-diyl disulfamate
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(ncn3)N)c(n2)I	J0B	1-[(3~{r})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one
+C#CCCC1(N=N1)CCNCc2c[nH]c3c2C(=O)N=C(N3)N	J0C	2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
+C[n+]1ccc(c2c1cccc2)/C=C\3/N(c4ccccc4S3)C	J0D	1-methyl-4-[(z)-(3-methyl-1,3-benzothiazol-2(3h)-ylidene)methyl]quinolin-1-ium
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)O)c(ncn3)N	J0E	1-[(3~{r})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
+CCCc1c(c2cnc(nc2[nH]1)C)Br	J0F	5-bromanyl-2-methyl-6-propyl-7h-pyrrolo[2,3-d]pyrimidine
+C[C@H](c1cccc(c1)OC)NC(=O)c2ccc(cc2NCCN)c3ccncc3	J0G	2-[(2-aminoethyl)amino]-n-[(1r)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide
+C[C@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)N	J0J	d-alanyl-n-[(2s,6r)-6-amino-6-carboxy-1-{[(1r)-1-carboxyethyl]amino}-1-oxohexan-2-yl]-d-glutamine
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=C(C=C7)O)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C	J0K	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
+CC1(c2cccc(c2NC1=O)NC)C	J0L	3,3-dimethyl-7-(methylamino)-1h-indol-2-one
+C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O	J0M	d-galactonic acid
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=CC=C7)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C	J0N	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
+c1cc(c2c(c1)OCCO2)CNC(=O)c3ccc(cc3)c4ccncc4	J0P	n-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC(=O)N3)O)S(=O)(=O)c4ccc(cc4)OC	J0S	(3as,5r,6ar)-2-oxohexahydro-2h-cyclopenta[d][1,3]oxazol-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1cc(cc(c1)F)c2cn(nn2)C[C@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O	J0T	(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{r})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
+CC(=CC[C@H](Cc1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3O)O)OC)O)C(=C)C)C	J0U	(2s)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2r)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one
+Cc1c2c(oc1S(=O)(=O)O)-c3ccc4c(c3C(=O)C2=O)CCCC4(C)C	J0V	1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid
+CC(C)CN1CCc2cc(ccc2[C@@]1(C)c3ccc(cc3)/C=C/C(=O)O)O	J0W	(e)-3-[4-(6-hydroxy-2-isobutyl-1-methyl-3,4-dihydroisoquinolin-1-yl)phenyl]prop-2-enoic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCC(=O)O)COP(=O)(O)O)O	J0X	2-[[2-oxidanylidene-1-[(2r,4s,5r)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-4-yl]amino]ethanoic acid
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)[C@H](C(F)(F)F)F	J0Y	(2r)-2,3,3,3-tetrafluoro-n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide
+CC(=O)OCc1ccccc1	J0Z	benzyl acetate
+CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C	J10	methyl farnesoate
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F	J11	n-{(3r,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
+c1cc(sc1)CC(=O)Nc2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)NCCCN4CCN(CC4)CCCN	J12	n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-(2-thiophen-2-yl-acetylamino)-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide
+C(CCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O)CCCN=[N+]=[N-]	J13	(1s,2r,3r,4s,6s)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2NCCNCCc3cccc(c3)F	J14	n-{(3s,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN	J15	n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-alpha-benzamide
+Cc1cccc(c1C)c2ccc(cc2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)c5ccccc5C(F)(F)F	J18	[(8r,9s,10s)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
+COc1cc(ccc1O)/C=C\2/C(=O)N/C(=N/c3ccccc3Cl)/S2	J19	(2z,5z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one
+c1c(nc2c(n1)N=C(NC2=O)N)CNCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	J1A	5'-s-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)CNCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C	J1B	5'-s-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C	J1C	5'-s-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)NCCS(=O)(=O)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C	J1D	5'-{[2-({n-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine
+c1cc(cc(c1)F)c2cn(nn2)C[C@@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O	J1E	(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{s})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)N(CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)CP(=O)(O)O)C	J1F	((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-n-(2-((((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCC3	J1G	n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclopentanecarboxamide
+C[N+](C)(CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl)CC(=O)O	J1H	[(3~{r})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN(CCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)CP(=O)(O)O)C	J1I	5'-s-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine
+c1ccc(cc1)C[C@@H](C(=O)NCCCCCN=C(N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O	J1J	n-[(2s)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide
+c1cc(ccc1C(=O)NCCO)C(=O)O	J1K	4-(2-hydroxyethylcarbamoyl)benzoic acid
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@H](C[C@@H]3C(=O)O)S(=O)(=O)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C	J1L	5'-{[(2r,4r)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine
+C[C@](CCN1C=CC(=CC1=O)c2ccc(cc2)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C	J1M	(2s)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+CCc1c(c2c(ncnc2s1)NC(CO)C(=O)O)c3ccccc3	J1N	2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCCC(=O)O)O	J1O	4-[[(2r)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid
+CCCCN(CCCC)C(=O)c1cc(n(n1)c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C	J1Q	1-[2-[[(3~{s})-3-(aminomethyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]phenyl]-~{n},~{n}-dibutyl-5-methyl-pyrazole-3-carboxamide
+CC1=C([C@@]2([C@]3(C(=C(C4=[N]3[Co+]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)C)C)C	J1R	(1r,19r) cobalt tetradehydrocorrin
+CC1=C([C@]2([C@@]3(C(=C(C4=[N]3[Co+]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)C)C)C	J1S	(1s,19s) cobalt tetradehydrocorrin
+COc1cc2c(cc1[C@H](CN3CCCC3)c4ccc(cc4)c5ccc(cc5)C(=O)NS(=O)(=O)c6ccc(c(c6)S(=O)(=O)C(F)(F)F)N[C@H](CCN7CCOCC7)CSc8ccccc8)OCO2	J1T	4-[4-[(1~{r})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{n}-[4-[[(2~{r})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3	J1V	n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide
+CCCCCCCCCCCCCC[C@H](C(=O)O)Br	J1W	2-bromopalmitic acid
+c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4	J1X	3-(1h-pyrazol-1-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
+c1csc2c1scc2	J1Z	thieno[3,2-b]thiophene
+COc1ccc(cc1)C2(c3cc(ccc3-c4c2c(c(cc4)C=O)C#Cc5ccc(cc5)O)O)c6ccc(cc6)OC	J20	1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde
+CC(=O)NCCOc1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Br	J21	n-{[(1s)-5-({2-[2-(acetylamino)ethoxy]-4-bromobenzoyl}amino)-1-carboxypentyl]carbamoyl}-l-glutamic acid
+Cc1cccc(c1C)c2ccc(cc2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)c5nccn5C	J22	{(8r,9s,10s)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1h-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol
+CCOC(=O)c1c2c(ccc(c2CN3CCOCC3)O)oc1c4ccccc4	J24	ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate
+CCOC(=O)c1c2c(sc1NC(=O)Cc3cccs3)CN(CC2)C(=O)OCC	J25	diethyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate
+Cc1cc(ccc1c2ccc(cc2Cl)C[NH3+])F	J27	[3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium
+Cc1cc(c(cc1/N=N/c2cc(c(cc2N)O)C)S(=O)(=O)O)C	J28	5-[(e)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H]([C@@H](CO[P@@](=O)(O4)S)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)S)O)N	J2A	(2s,5r,7r,8r,10r,12ar,14r,15r,15as,16r)-7-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-14-(6-amino-9h-purin-9-yl)-15,16-dihydroxy-2,10-disulfanyloctahydro-2h,10h,12h-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+c1nc(c2c(n1)n(cn2)[C@@H]([C@@H]([C@@H](CCO[P@@](=O)(O[C@@H]3[C@@H]([C@H](O[C@H]3n4cnc5c4NC(=NC5=O)N)CO)O)S)OP(=O)(O)S)O)O)N	J2B	o-[(1r,2r,3r)-5-{[(s)-{[(2r,3r,4r,5r)-2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro furan-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9h-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (r)-phosphorothioate
+c1cc(oc1)CN2C(=O)CSC23CCN(CC3)C(=O)CCl	J2C	8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCOCC3	J2D	n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide
+CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OC4CCCC4)OC)C	J2E	1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one
+COc1ccc(cc1S(=O)(=O)Nc2ccc(cc2N3CCCCC3)C(F)(F)F)C(=O)O	J2G	4-methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
+Cc1cccnc1CN2CCC3(CC2)C(=O)N(C(=O)N3c4ncccn4)c5ccc(cc5)c6ccccc6	J2H	8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
+Cc1cc([nH]n1)Nc2c3cccn3nc(n2)N4CCN(CC4)C(=O)Cc5c(cc(cc5F)OC)F	J2I	2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone
+c1cc(c(c(c1)O)O)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	J2J	5'-o-[(s)-[(2,3-dihydroxybenzene-1-carbonyl)oxy](hydroxy)phosphoryl]adenosine
+CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)CCNC3=O)c4ccc(nc4)F	J2M	n-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1h-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide
+[H]/N=C(/c1ccc(cc1)NC(=O)[C@H]2CCCNC2=O)\N	J2N	(3~{s})-~{n}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
+Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N	J2O	11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine
+CC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2	J2P	(3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium
+[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OCC)\N	J2Q	~{n}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide
+c1cc2c(cc1Nc3ccc4nnnn4n3)CCC2	J2T	n-(2,3-dihydro-1h-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine
+c1ccc(cc1)Cc2cc(cc3c2C[C@@H](C3=O)Cc4ccc(cc4)O)c5ccc(cc5)O	J2U	(2~{s})-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-2,3-dihydroinden-1-one
+CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(nc4)OC	J2V	n-{4-[3-(6-methoxypyridin-3-yl)-1h-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
+[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OC)\N	J2W	~{n}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide
+c1ccc(cc1)Cc2cc(cc3c2C[C@@](C3=O)(Cc4ccc(cc4)O)CO)c5ccc(cc5)O	J2X	(2~{s})-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-3~{h}-inden-1-one
+CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(cn4)OC	J2Y	n-{4-[3-(5-methoxypyridin-2-yl)-1h-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H](C2=O)O)O	J2Z	(9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one
+c1ccc2c(c1)cccc2CN3CCN(CC3)C(=O)CCCS	J30	4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol
+c1ccc(c(c1)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	J31	n-{[(1s)-1-carboxy-5-{[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)benzoyl]amino}pentyl]carbamoyl}-l-glutamic acid
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#Cc5ccc(cc5)COC[C@H](CO)OP(=O)(O)O	J32	[(2~{s})-1-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propan-2-yl] dihydrogen phosphate
+c1cc(c(c2c1N=C3NC(=O)CN3C2)Cl)Cl	J33	6,7-bis(chloranyl)-3,5-dihydro-1h-imidazo[2,1-b]quinazolin-2-one
+c1ccc(c(c1)NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	J34	n-{[(1s)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)pentyl]carbamoyl}-l-glutamic acid
+CCC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc(cc2)C(F)(F)F)OC)C(=O)O	J35	(2s)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid
+c1ccc2c(c1)c3c([nH]2)C4=Cc5ccncc5C(=O)N4CC3	J36	parvine
+c1cc(ccc1CN(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)Br	J37	n-({(1s)-6-(4-bromobenzyl)-1-carboxy-7,47-dioxo-52-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodecaoxa-6,46-diazadopentacont-1-yl}carbamoyl)-l-glutamic acid
+C[C@@H]1C(=O)Nc2cc(ccc2S1)C(=O)NO	J38	(2r)-2-methyl-3-oxo-4h-1,4-benzothiazine-6-carbohydroxamic acid
+Cc1cc(n[nH]1)Nc2cc(nc(n2)/C=C/c3ccccc3)N4CCN(CC4)C	J3A	6-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]pyrimidin-4-amine
+[H]/N=C(/c1ccc(cc1)NC(=O)[C@@H]2CCCNC2=O)\N	J3B	(3~{r})-~{n}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
+Cc1c(n2ccc3c(c2n1)N[C@H]([C@H]([C@@H]3O)O)c4ccccc4)C	J3C	(7r,8r,9s)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol
+C([C@@H](C(=O)O)NC(=O)O)S	J3D	n-carboxy-l-cysteine
+Cc1c(c(n[nH]1)C)c2cccc3c2[nH]c(c3CCCOc4cccc5c4cccc5)C(=O)O	J3E	7-(3,5-dimethyl-1~{h}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxylic acid
+CCN(CC)c1ccc2c(c1)OC(=O)C=C2N(C)CCOc3ccc(cc3)C[C@H]4C(=O)NC(=O)S4	J3F	(5s)-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
+CCCC(=O)OCC(COC(=O)CCC)O	J3G	2-hydroxypropane-1,3-diyl dibutanoate
+CCC(=O)N1CCC[C@H](C1)n2c3c(cn2)c(ncn3)N	J3H	1-[(3~{r})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one
+[H]/N=C(\N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	J3I	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
+CCCC(=O)OC(CO)CO	J3J	1,3-dihydroxypropan-2-yl butanoate
+C[C@H](CN)O	J3K	(2~{r})-1-azanylpropan-2-ol
+CCC/C=C/C=C/C(=O)[C@@H]1C(=O)[C@@H](N(C1=O)C)C[C@](C(C)C)(C(=O)O)O	J3L	(2s)-3-methyl-2-[[(2s,4r)-1-methyl-4-[(2e,4e)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid
+CC(C)(C)O[C@@H](c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5ccccc5)C(=O)O	J3M	(2s)-tert-butoxy[3-(3,4-dihydro-2h-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N	J3N	1-[(3~{r})-3-[4-azanyl-3-(1~{h}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
+CC(C)(C)O[C@@H](c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5cnn(c5)Cc6ccccc6)C(=O)O	J3P	(2s)-[1-(1-benzyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2h-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	J3Q	(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CN(CCC(=O)O)c1ccc(c2c1non2)[N+](=O)[O-]	J3R	3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid
+C(CCC(=O)N)C[C@@H](CCS)S	J3S	(6s)-6,8-disulfanyloctanamide
+[H]/N=C(/N)\SCc1ccc(cc1)B2O[C@@H](C(=O)O2)O	J3T	[4-[(4~{s})-4-oxidanyl-5-oxidanylidene-1,3,2-dioxaborolan-2-yl]phenyl]methyl carbamimidothioate
+C=CC#CC#C/C=C/C[C@H]([C@H](CCCCC(=O)O)O)O	J3U	(6s,7r,9e)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid
+c1cc(ccc1C(F)(F)F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N	J3V	4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide
+CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccs4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	J3W	methyl ~{n}-[(2~{s})-3,3-dimethyl-1-[2-[3-[(3~{r},6~{s},10~{z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate
+c1cc(oc1CN2C(=O)CSC23CCN(CC3)C(=O)CCl)Br	J3X	4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
+Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)N[C@@H](C)c4ccc(cn4)F)C(=O)N5CCOCC5	J3Y	[6-{[(1s)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1h-pyrazol-3-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O	J3Z	(9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one
+CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C/C/C=C/CC=CCC=CC	J40	[(2r)-1-[oxidanyl-[(2r,3r,5s,6r)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5e,8e)-hexadeca-5,8,11,14-tetraenoate
+CC1=CC(=O)n2c(c(c(n2)c3ccccc3)c4ccccc4)N1	J41	5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4h)-one
+c1cc(c(cc1Br)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	J42	n-{[(1s)-5-({[4-bromo-2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)-1-carboxypentyl]carbamoyl}-l-glutamic acid
+CSc1nc(c(c(n1)Cl)C=O)Nc2ccc(cc2)S(=O)(=O)N	J43	4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide
+c1cc(ccc1Nc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N	J45	4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide
+c1ccc(cc1)CNS(=O)(=O)c2cc(ccc2Br)C(=O)Nc3ccc(cc3)Br	J46	4-bromanyl-n-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide
+c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br	J47	5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile
+c1cc2nc3c1ccc(n3)NC(=O)OCC/C=C/CCOC(=O)Nc4ccc5ccc(nc5n4)C[NH2+]C2	J48	cmbl3a
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2c(ncnc2O)N	J49	(2s)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid
+CC1=C(C(=O)n2c(c(c(n2)c3ccccc3)N4CCCCC4)N1)c5ccc(cc5)O	J4A	6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4h)-one
+CCc1c(c(ccc1C(=O)NNC(=O)[C@H](c2cc(cc(c2)F)F)O)O)C	J4B	~{n}'-[(2~{s})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]-2-ethyl-3-methyl-4-oxidanyl-benzohydrazide
+Cn1c2c(nc1Nc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C	J4C	(2s)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid
+c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)N(=O)=O)S(=O)(=O)[N](=O)O	J4D	1-[3-nitro-2-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]sulfonyl-phenyl]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]urea
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(cc4)F)O	J4E	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+Cc1cc(nc(n1)CCC(=O)O)Nc2nc3c(n2C)C(=O)N(C(=O)N3C)Cc4cc5c([nH]4)cccc5Cl	J4F	3-[4-[[1-[(4-chloranyl-1h-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](CCC(=O)O)N)O)N	J4G	3'-deoxy-3'-[(l-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate)
+c1cc2nc3c1ccc(n3)NC(=O)OCCCNCCCOC(=O)Nc4ccc5ccc(nc5n4)C[NH2+]C2	J4H	cmbl4
+c1ccc(c(c1)[N+](=O)[O-])SCC(=O)NN	J4J	2-[(2-nitrophenyl)sulfanyl]acetohydrazide
+c1cc(ccc1OCc2[nH]nnn2)Cl	J4K	5-[(4-chloranylphenoxy)methyl]-1h-1,2,3,4-tetrazole
+Cn1c2c(nc1NC3CCC(CC3)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C	J4L	1-(3,4-dichlorobenzyl)-8-(((1r,4r)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+Cc1cc(n[nH]1)c2cnc3n2nc(cc3)N[C@@H](C)c4ccc(cc4F)F	J4M	n-[(1s)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1h-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(cc(c4)F)F)O	J4N	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+CCc1c(c([nH]c1c2[nH]c3cc(ccc3n2)N4CCOCC4)C)C(=O)C	J4O	1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1h-benzimidazol-2-yl)-1h-pyrrol-3-yl]ethanone
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCC3	J4P	(2r)-2-[(cyclopentylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
+CS(=O)(=O)c1nccn1Cc2cscn2	J4Q	4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole
+Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5cnn(c5)C)C(=O)C	J4R	1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1h-pyrrol-3-yl]ethanone
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CC3	J4S	(2r)-2-[(cyclopropylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
+CC1(C=C(C(N1O)(C)C)Cn2cc(nn2)[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=O)NC4=O)COP(=O)(O)O)O)C	J4T	[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-[(2,2,5,5-tetramethyl-1-oxidanyl-pyrrol-3-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H]1CC[C@@]2([C@@H]([C@H]3[C@@H](O2)C[C@H]4[C@@]3(CC[C@H]5[C@@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@H]9[C@H]([C@H]([C@H]([C@@H](O9)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1	J4U	(2~{r},3~{s},4~{s},5~{s},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{s},4~{r},5~{r},6~{r})-2-(hydroxymethyl)-6-[2-[[(2~{r},3~{s},4~{r},5~{r},6~{s})-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-[(1~{r},2~{r},4~{s},5'~{r},6~{r},7~{r},8~{r},9~{s},12~{s},13~{r},16~{s})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxy-butoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5	J4V	(1r,2r,3s,5r,7r)-n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide
+B1(c2cc(ccc2CO1)NC(=O)OC(C)(C)C)O	J4W	tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate
+[H]/N=C(\c1ccc2cc(cc(c2c1)Nc3ncccn3)C(=O)Nc4ccccc4)/N	J4X	6-carbamimidoyl-n-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide
+c1ccc(cc1)[C@H]2C[C@@H]2C(=O)NNC(=O)CCl	J4Y	(1s,2s)-n'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
+Cc1cc(n2c(n1)ncn2)Nc3ccc4cc5ccccc5cc4c3	J4Z	n-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+c1ccc(cc1)c2ccc(o2)CN3C(=O)CSC34CCN(CC4)C(=O)CCl	J50	8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
+CC(=O)NC(=O)OCc1ccccc1	J51	benzyl acetylcarbamate
+C(#N)[Fe](=C=O)(C#N)[Ni]C#[O+]	J52	dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron
+CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O	J53	(2s)-2-{4-butoxy-3-[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid
+c1ccc(cc1)CNC(=O)NC[C@H](C(=O)O)O	J54	(2r)-3-{[(benzylamino)carbonyl]amino}-2-hydroxypropanoic acid
+c1cc(nc(c1)Br)NC(=O)[C@H]2N(CCS2)C(=O)Cn3c4c(cccn4)c(n3)C(=O)N	J55	1-(2-{(2s)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1h-pyrazolo[3,4-b]pyridine-3-carboxamide
+c1ccc2c(c1)cnn2CC(=O)N3CCS[C@H]3C(=O)Nc4cccc(n4)Br	J56	(2s)-n-(6-bromopyridin-2-yl)-3-[(1h-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide
+CC(C)c1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O	J57	(~{e})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid
+c1cc2c(cc1N)c([nH]n2)Br	J58	3-bromanyl-2~{h}-indazol-5-amine
+c1cc(c(c2c1nccn2)Br)NC3=NCCN3	J59	brimonidine
+CC(=O)NCc1cc(cs1)Br	J5A	n-[(4-bromothiophen-2-yl)methyl]acetamide
+C[C@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O	J5B	(3r)-3-hydroxybutyl alpha-d-glucopyranoside
+Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C	J5C	oxymetazoline
+Cc1cc(ccc1F)CNC(=O)C	J5D	n-[(4-fluoro-3-methylphenyl)methyl]acetamide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4)F)F)O	J5E	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+CCCc1ccc(cc1)c2ccc(cc2)N(C[C@H]([C@@H](C)CC)N)C(=O)[C@H]3C[C@@H]3c4ccccn4	J5F	(1s,2s)-n-[(2s,3s)-2-azanyl-3-methyl-pentyl]-n-[4-(4-propylphenyl)phenyl]-2-pyridin-2-yl-cyclopropane-1-carboxamide
+Cc1cc(no1)NC(=O)C	J5G	n-(5-methyl-1,2-oxazol-3-yl)acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4)O	J5H	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] naphthalene-2-carbothioate
+CC1=Cc2ccccc2NC1=O	J5I	3-methyl-1,2-dihydroquinolin-2-one
+Cc1cccc(c1)/C=N/C(=O)C	J5J	n-[(e)-(3-methylphenyl)methylidene]acetamide
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(nc3)N)N	J5K	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=O)NC)O)S(=O)(=O)c4ccc5c(c4)O/C(=N\C)/N5	J5L	(3r,3as,4r,6ar)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[(2z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CC(=O)NCC#Cc1cccc(c1)C(F)(F)F	J5M	n-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide
+CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)C#C)NC(=O)c3ccc(cc3)c4c(sc(n4)N5CCN(CC5)C)F	J5N	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{r})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
+CC(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1	J5P	n'-acetyl-2-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cccc(c4)F)O	J5Q	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+c1cc2c(c(c1)Cl)C(=O)c3ccc(cc3O2)C(=O)O	J5R	8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid
+Cc1ccc(cc1)/C=N/C(=O)C	J5S	n-[(e)-(4-methylphenyl)methylidene]acetamide
+CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)Cl)NC(=O)c3ccc(cc3)c4c(sc(n4)N5CCN(CC5)C)F	J5T	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{s})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
+CC(=O)NCC#Cc1ccccc1	J5V	n-(3-phenylprop-2-yn-1-yl)acetamide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccccc4F)O	J5W	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O	J5X	gibberellin a9
+Cc1ccc(cc1N2CCN(CC2)c3ccc(c(c3)F)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)Nc6ccncc6)Cl	J5Y	nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-n-pyridin-4-yl-d-tryptophanamide
+Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)C(F)(F)F	J5Z	5-methyl-n-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CCN(CC)CCNC(=O)c1c(c([nH]c1C)\C=C/2\c3cc(ccc3NC2=O)Cl)C	J60	5-[(e)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n-[2-(diethylamino)ethyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide
+CC(=O)NNC(=O)c1ccccc1Cl	J61	n'-acetyl-2-chlorobenzohydrazide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4)C)F)O	J62	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+CC(C)C1=C(N(C(=O)N(C1=O)O)COCc2ccccc2)CC3CCCCC3	J63	1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1h,3h)-dione
+CC(=O)NCc1ccc(s1)Cl	J64	n-[(5-chlorothiophen-2-yl)methyl]acetamide
+c1ccc(cc1)\C=C\c2cccc3c2/C(=N/O)/C(=O)N3Cc4cc(cc5c4OCOC5)F	J67	(3z)-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-4-[(e)-2-phenylethenyl]-1h-indole-2,3-dione 3-oxime
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCCC3	J6A	(2r)-2-[(cyclohexylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
+CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)N)NC(=O)c3ccc(c(c3)F)c4csc(n4)N5CCN(CC5)C	J6B	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{r})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
+CC(C)C1=CCC2=C(C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C	J6C	miltiradiene
+CCN(c1cc2c(cc1c3cccc(c3)C(=O)NC4(CC4)c5ncccn5)c(c(o2)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C	J6D	6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-n-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
+c1cc(c(cc1NC(=O)N2CCCC2)c3ccn4c(cnc4n3)N5CCOCC5)F	J6E	~{n}-[4-fluoranyl-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide
+c1cc(ccc1[C@H](CC(=O)O)C2=CC(=O)NC=C2)Cl	J6H	(3~{s})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{h}-pyridin-4-yl)propanoic acid
+CCNc1cc2c(cc1c3ccc(c(c3)C(=O)NC4(CC4)c5ncc(cn5)F)OC)c(c(o2)c6ccc(cc6)F)C(=O)NC	J6J	6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-n-methyl-1-benzofuran-3-carboxamide
+Cc1ccc(cc1CN(C)S(=O)(=O)c2ccccc2)[C@H](CC(=O)O)c3cc4c(c(c3)OC)n(nn4)C	J6K	(3~{s})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid
+CC1(C=Cc2c(ccc3c2OC=C(C3=O)c4cc(c(cc4OC)OC)OC)O1)C	J6L	8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one
+Cn1c2ccc(cc2nn1)[C@H](CC(=O)O)c3ccc(cc3)Cl	J6N	(3~{r})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid
+CC1(c2c(c3cc(c(cc3[nH]2)Cl)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	J6P	(5as,12as,13as)-8,9-dichloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+Cc1cc(ccc1Cl)[C@H](CC(=O)O)c2ccc3c(c2)nnn3C	J6Q	(3~{s})-3-(4-chloranyl-3-methyl-phenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid
+c1cc(ccc1/C=C/C=C/C(=O)C(=O)O)[N+](=O)[O-]	J6S	(3e,5e)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid
+c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N	J6T	2-[2-[[3-[3-[(1~{s})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid
+Cc1cc(ccc1F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N	J6V	3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide
+Cc1ccc2c(c1)cc(s2)CO	J6W	(5-methyl-1-benzothiophen-2-yl)methanol
+CC[C@@H](C)S(=O)(=O)[O-]	J6Z	(2r)-butane-2-sulfonate
+c1cc2c3c(ccc4c3c1C(=O)NC4=O)C(=O)N(C2=O)CC5=CC=[N](C=C5)[Pt]67[NH2]CC[NH]6CC[NH2]7	J70	pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetraone)
+COc1c(c(ncn1)NCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-]	J71	4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide
+c1cc2c(cc1F)/C(=N\O)/C(=O)N2Cc3cc(cc4c3OCOC4)F	J72	(3e)-5-fluoro-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-1h-indole-2,3-dione 3-oxime
+c1cc(ccc1CCn2cc(nn2)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	J73	methanol triazol ethyl phenyl 1o-alpha-d-mannopyranoside
+c1cc(ccc1CCNc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N	J74	4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
+c1ccc(cc1)CNc2c(c(ncn2)NCc3ccc(cc3)S(=O)(=O)N)[N+](=O)[O-]	J75	4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2ccc(cc2)CCCCC)O)O	J76	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(4-pentylphenyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2h-pyran-2-yl]oxy}octanamide
+CCOC(=O)c1ccc(cc1)OCCC2CCN(CC2)c3ccc(nn3)C	J77	(methylpyridazine piperidine ethyloxyphenyl)ethylacetate
+CCOC(=O)c1ccc(cc1)OCCCC2CCN(CC2)c3ccc(nn3)C	J78	(methylpyridazine piperidine propyloxyphenyl)ethylacetate
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)O)NC(=O)C	J79	(2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid
+c1ccc(c(c1)CC(=O)O)NC(=O)c2cccc(c2)c3cccc(c3)CN	J7B	2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
+[H]/N=C(\N)/NCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	J7C	9-(6-carbamimidamido-5,6-dideoxy-beta-d-ribo-hexofuranosyl)-9h-purin-6-amine
+c1cc(cc(c1)C(=O)O)C#Cc2cc(ccn2)NC(=O)Nc3ccnc(c3)Cl	J7G	3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid
+CCCCC[C@](C)(C(=O)O)N	J7H	(2~{r})-2-azanyl-2-methyl-heptanoic acid
+c1cc(cc(c1)C#Cc2c(c(sn2)NC(=O)Nc3cc(ncc3N)Cl)Br)CO	J7J	n-(5-amino-2-chloropyridin-4-yl)-n'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea
+O[Mo]1O[Mo](O1)(O)O	J7N	2,2,4-tris(oxidanyl)-1,3-dioxa-2$l^{4},4$l^{3}-dimolybdacyclobutane
+O[Mo]O[Mo]1(O[Mo](O[Mo](O[Mo](O1)([O])([O])([O])O[Mo]([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])([O])O[Mo]([O])([O])[O])[O]	J7Q	tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1}-oxidanyl)-8-(oxidanylmolybdeniooxy)-6-[tris($l^{1}-oxidanyl)molybdeniooxy]-1,3,5,7-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{4}-tetramolybdacyclooct-2-yl]oxy]molybdenum
+COc1ccc2c(c1)NC(=O)CN2c3c4cccnc4nc(n3)Cl	J7S	4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+[O][Mo]([O])([O])O[Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]89(O5[Mo]1(O8)(O[Mo]2(O1[Mo]1(O63[Mo](O12)(O4)(O7)([O])[O])(O9)[O])([O])([O])[O])([O])[O])([O])[O])[O])([O])[O])([O])[O]	J7T	molybdate cluster
+c1ccc(cc1)C2=C3C=CC4=[N]3[Cr]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J7U	chromium-5,10,15,20-tetraphenylporphyrin
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N[C@@H]3[C@H](O[C@H]([C@@H]3O)n4cnc5c4ncnc5N)CO[P@@](=O)(O)OP(=O)(O)O	J7V	3'-(7-diethylaminocoumarin-3-carbonylamino)-3'-deoxy-adp
+c1ccc(cc1)C2=C3C=CC4=[N]3[Mn]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J7X	mn-5,10,15,20-tetraphenylporphyrin
+CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	J7Z	(2s)-3-[(6-o-alpha-d-galactopyranosyl-beta-d-galactopyranosyl)oxy]-2-[(3z,6z,9z,12z,15z)-octadeca-3,6,9,12,15-pentaenoyloxy]propyl (5z,8z,11z,14z,17z)-icosa-5,8,11,14,17-pentaenoate
+CCOC(=O)c1ccc(cc1)OCCCCC2CCN(CC2)c3ccc(nn3)C	J80	(methylpyridazine piperidine butyloxyphenyl)ethylacetate
+CCCCCCCCCNC(=O)CCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O	J81	(5r,6s,7s)-5,6-dihydroxy-n-nonyl-7-(octanoylamino)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)
+C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4	J82	2-[2-(2-methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-6-morpholin-4-yl-3h-pyrimidin-4-one
+c1ccc(cc1)C2=C3C=CC4=[N]3[Co]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J83	co-5,10,15,20-tetraphenylporphyrin 
+c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N	J84	1-(2,4-dichlorophenyl)-4-(1h-tetrazol-5-yl)-1h-pyrazol-5-amine
+O[Mo]O([Mo]O)[Mo](=O)([O])O([Mo]O)[Mo]([O])([O])([O])[O]	J85	[[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum
+C[C@@H](NCc1cc(cc2c1NC(=O)C(=O)N2)Br)P(=O)(O)O	J86	[(1s)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid
+COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4	J87	n-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
+c1ccc(cc1)c2cccc3c2/C(=N/O)/C(=O)N3Cc4cc(cc5c4OCOC5)F	J88	(3z)-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1h-indole-2,3-dione 3-oxime
+CCCCCCCCc1ccc(cc1)CC[C@](CO)(COP(=O)(O)O)N	J89	(2~{s})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol
+c1cc(cc(c1)C(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCNCC3)c4ccc5c(n4)sc(n5)NC(=O)C6CC6	J8A	3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-n-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
+[O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O]	J8B	molybdate cluster
+CCc1cc(ccc1CN2CC(C2)C(=O)O)/C(=N/OCc3ccc(c(c3)C(F)(F)F)C4CCCCC4)/C	J8C	1-[[4-[(~{e})-~{n}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{c}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid
+COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O	J8D	5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4h-1-benzopyran-4-one
+O[Mo]O[Mo]1(O[Mo](O1[Mo]O)([O])([O])[O])([O])[O]	J8E	oxidanyl-[[2,2,4,4,4-pentakis($l^{1}-oxidanyl)-1-(oxidanylmolybdenio)-1$l^{3},3-dioxa-2$l^{5},4$l^{5}-dimolybdacyclobut-2-yl]oxy]molybdenum
+CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N	J8F	4-[(~{z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile
+COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O	J8G	2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4h-1-benzopyran-4-one
+Cc1ccc(cc1CN2CCOc3ccccc3S2(=O)=O)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C	J8H	(3~{s})-3-[3-[[1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]-4-methyl-phenyl]-3-(7-methoxy-1-methyl-benzotriazol-5-yl)propanoic acid
+CN(C)CCN(C)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N	J8L	4-[(~{z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile
+c1ccc(cc1)Sc2cc(c(cc2C(=O)NCCCO)S(=O)(=O)N)Cl	J8N	4-chloranyl-~{n}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide
+CN(CCO)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N	J8O	4-[(~{z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile
+CCCCNC(=O)c1cc(c(cc1SCCc2ccccc2)Cl)S(=O)(=O)N	J8Q	~{n}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
+CN(CCO)c1ccc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N	J8R	4-[(~{z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile
+COc1cc(ccc1C(=O)N2CCC(CC2)Cc3ccccc3)SC	J8S	(4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone
+CC(C)(COP(=O)(O)O)[C@H](C(=O)N)O	J8T	[(3~{r})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
+CN(C)CCN(C)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N	J8U	4-[(~{z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile
+c1ccc(cc1)OC2=C(C(=O)NC(=C2)C(F)(F)F)C(=O)Nc3cccc(c3)C(=O)O	J8V	3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid
+C([C@@H](C(=O)O)N)OC(=O)CC(=O)O	J8W	(2~{s})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
+CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2nc3ccccc3o2	J8X	(~{e})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile
+c1cc(cc(c1)NC(=O)C2=CC=C(NC2=O)C(F)(F)F)c3[nH]nnn3	J8Y	2-oxo-n-[3-(1h-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
+Cc1cccc(c1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2	J8Z	(2r)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate
+c1cc(ccc1CNC2=C(C(=O)NC=N2)[N+](=O)[O-])S(=O)(=O)N	J90	4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide
+c1ccc(c(c1)Oc2c(cccc2NC(=O)C3=CC=C(NC3=O)C(F)(F)F)C(=O)O)F	J91	2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid
+COC(=O)CCCNC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N	J92	methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
+CN(CCO)c1cc2c(s1)cc(s2)/C=C(\C#N)/c3ccc(cc3)C#N	J93	4-[(~{z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile
+C[N+]1(CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3)C	J94	(5s)-6,6-dimethyl-5-[(6r)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
+CCCCNC(=O)c1cc(c(cc1NC2CCCCC2)Cl)S(=O)(=O)N	J95	~{n}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide
+c1ccc(c(c1)CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	J96	n-{[(1s)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]acetyl}amino)pentyl]carbamoyl}-l-glutamic acid
+c1cc(cc(c1)NC(=O)C2=C(C=C(NC2=O)C(F)(F)F)Sc3c(cccc3Cl)Cl)C(=O)O	J97	3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(nn3C)C4CC4)-c5cc(c(nc5)N)O1)C)F	J99	(10r)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one
+C(CC(=O)O)[C@@H](C(=O)NC[C@@H](C(=O)O)N)N	J9A	n-[(2s)-2-amino-2-carboxyethyl]-l-alpha-glutamine
+c1cc(ccc1C#N)Nc2nc(cc(n2)n3cc(nc3)CCO)N	J9D	4-({4-amino-6-[4-(2-hydroxyethyl)-1h-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile
+c1c(cc(c2c1[nH]c(c2)C(=O)NC3CCC4(CCCCC4)CC3)F)F	J9E	4,6-difluoro-n-(spiro[5.5]undecan-3-yl)-1h-indole-2-carboxamide
+c1ccc(c(c1)C2=N[C@H](CS2)C(=O)O)O	J9F	(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+c1ccc(cc1)CN2c3c(cc(cn3)Nc4ccc(cc4F)F)NC2=O	J9G	3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one
+Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C]=[C]5)(C)N	J9H	pentacoordinate pt(ii) compound
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSCCC(=O)NCc2cccnc2	J9K	tert-butyl [(2s)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate
+Cc1cccc2c1c(c[nH]2)[C@@H](C)[C@H]3C(=O)N=C(O3)NC	J9L	(5s)-2-(methylamino)-5-[(1r)-1-(4-methyl-1h-indol-3-yl)ethyl]-1,3-oxazol-4-one
+c1cc(sc1)C2=NN=C(C2)N	J9N	5-thiophen-2-yl-4~{h}-pyrazol-3-amine
+CCOc1ccccc1N2C(=O)c3ccccc3N=C2[C@H](C)N4CCN(CC4)C(=O)COc5ccc(cc5)Cl	J9O	2-[(1s)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
+CCCC[C@@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O	J9P	(11alpha,12alpha,13e,16s)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid
+c1ccc(c(c1)c2cnco2)N	J9Q	2-(1,3-oxazol-5-yl)aniline
+Cn1cc(cn1)c2cc(nc3c2ccc(c3)CN4CCO[C@@H](C4)C(F)(F)F)C(=O)N	J9R	4-(1-methylpyrazol-4-yl)-7-[[(2~{s})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
+COc1ccccc1[C@@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4	J9S	n-[(2s)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-n-[(thiophen-2-yl)methyl]glycine
+COC(=O)c1ccnc(c1)N	J9T	methyl 2-azanylpyridine-4-carboxylate
+C[C@@H]1c2c(c(cc(n2)C(=O)N)c3ccc(cc3F)F)CCN1Cc4ccnn4C	J9U	(8~{r})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{h}-1,7-naphthyridine-2-carboxamide
+COc1ccccc1[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4	J9V	n-[(2r)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-n-[(thiophen-2-yl)methyl]glycine
+c1ccc2c(c1)C(=O)NC(=O)O2	J9W	1,3-benzoxazine-2,4-dione
+CCNC(=O)C(=O)O	J9X	2-(ethylamino)-2-oxidanylidene-ethanoic acid
+CN/C(=[N+](\CCC[C@@H](C(=O)[O-])N)/O)/N	J9Y	(2s)-2-amino-5-{[(e)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate
+c1ccc(cc1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2	J9Z	(2r)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate
+CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-]	JA1	5-hexyl-2-(4-nitrophenoxy)phenol
+c1ccc2c(c1)[nH]c(n2)CCCCCN	JA2	5-(1h-benzimidazol-2-yl)pentan-1-amine
+CCc1cc(c(cc1F)Oc2cccnc2F)O	JA3	5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol
+COc1ccccc1[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3cc4c(cc3Cl)NC(=O)C=C4	JA4	n-[(2r)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-n-[(thiophen-2-yl)methyl]glycine
+COC(=O)c1cc2cc(sc2[nH]1)CO	JA5	methyl 2-(hydroxymethyl)-6~{h}-thieno[2,3-b]pyrrole-5-carboxylate
+c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCCC(=O)O	JA7	5-{2-[(1r)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid
+c1cc2c(cc1Br)nc(s2)N	JA8	5-bromanyl-1,3-benzothiazol-2-amine
+CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl	JA9	6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1h-benzimidazole
+CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O	JAA	{(1r,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetic acid
+c1cnoc1C(=S)N	JAB	1,2-oxazole-5-carbothioamide
+c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4	JAC	1-({4-[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4h)-yl]phenyl}methyl)-2-pyrrolidinone
+Cc1c(ccc(c1Cl)C#N)C2=NN3CC[C@@H]([C@H]3[C@@H]2OC)O	JAD	2-chloro-4-[(3s,3as,4s)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3h-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile
+c1cc2c(cc1N)scn2	JAE	1,3-benzothiazol-6-amine
+Cc1cc(cc(c1NS(=O)(=O)c2ccc(cc2)OC)C)O	JAF	n-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
+CC1=NC2=C(CCCC2)C(=O)C1c3ccc(cc3)Oc4ccc(cc4)OC(F)(F)F	JAG	2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{h}-quinolin-4-one
+c1ccc(cc1)c2ccc(cn2)CN	JAH	(6-phenylpyridin-3-yl)methanamine
+CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O	JAI	n-({(1r,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetyl)-l-isoleucine
+c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCC(=O)O	JAJ	4-{2-[(1r)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid
+Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3	JAK	2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
+c1cc(c(cc1Cl)Cc2cc(ccc2O)Cl)O	JAL	4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol
+Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5cccc(c5)Cl)N	JAN	6-[(s)-amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1h)-one
+CCCCCCCCCCCCCCC[C@H](C)CO	JAO	(2s)-2-methylheptadecan-1-ol
+C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C(C)C)C(=O)N2)Cc4ccccc4	JAR	6-[(3s,4s)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+C[C@@H]1CC\C=C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C@H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)CO)OC)OC)O)O)C)OC	JAS	jaspisamide a
+c1cc(ccc1CCN)S(=O)(=O)O	JAT	4-(2-azanylethyl)benzenesulfonic acid
+CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3Cl)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	JAU	5-chloranyl-n2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2cccc(c2)O)c3ccccc3	JAV	4-fluoro-n'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide
+c1cc2c(cc[nH]2)cc1C(=O)N	JAW	1~{h}-indole-5-carboxamide
+C/C(=C(/C(=O)O)\O)/c1c[nH]c2c1cccc2	JAX	(e)-3-(1h-indol-3-yl)-2-oxidanyl-but-2-enoic acid
+c1ccc(c(c1)[C@@H]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[C@@H](Nc6ccccc6C5=O)c7ccccc7F)F	JAY	(2r)-2-(2-fluorophenyl)-3-[2-[4-[(2r)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one
+C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)OP(=O)(O)O	JAZ	6-phosphocyclophellitol
+CCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	JB1	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N	JB2	gdp-perosamine
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)NC(=O)C	JB3	gdp-n-acetylperosamine
+c1cc2c(cc1N)nccn2	JB5	quinoxalin-6-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCO[P@](=O)(OC[C@@H](CO[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)S)O)O)N	JB6	(2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-[2-[[(2s)-3-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol
+CC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Cc1ccc(cc1)Br	JB7	n-({(1s)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-l-glutamic acid
+B(c1ccc2cc[nH]c2c1)(O)O	JB8	1~{h}-indol-6-ylboronic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)/C=C\CN=C(N)N)O)O	JB9	~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-4-[[1-[[3-[(~{z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide
+C[C@@](C[C@H]1CN(C(=O)O1)c2ccc(cc2)C#CC3CC3)(C(=O)NO)S(=O)(=O)C	JBA	(2r)-3-{(5s)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)propanamide
+c1cc(cc(c1)C(=O)O)CSc2cccs2	JBB	3-(thiophen-2-ylsulfanylmethyl)benzoic acid
+c1cc(c(cc1/N=N/c2ccc(c(c2)C(=O)O)O)C(=O)O)O	JBC	5-[(e)-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid
+c1cc(c(nc1)N)[N+](=O)[O-]	JBE	3-nitropyridin-2-amine
+c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O)F	JBF	3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
+CN1CCN(CC1)CCOc2c(cc(c(c2Cl)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl	JBG	n-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-l-phenylalanine
+c1ccc2c(c1)C(NC=N2)O	JBH	3,4-dihydroquinazolin-4-ol
+COc1ccc(cc1)Nc2ncc3c(n2)n(c(n3)Nc4ccccc4F)C5CCCC5	JBI	9-cyclopentyl-n~8~-(2-fluorophenyl)-n~2~-(4-methoxyphenyl)-9h-purine-2,8-diamine
+c1cc(ccc1c2ccc3c(c2)C(=O)N(C3)[C@H](c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC6	JBJ	(2r)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2h-isoindol-2-yl}-n-(1,3-thiazol-2-yl)acetamide
+c1cc(c(c(c1)O)N)[N+](=O)[O-]	JBK	2-azanyl-3-nitro-phenol
+c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)O)c4ccccc4O)O	JBL	4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid
+c1cnoc1C(=O)N	JBN	1,2-oxazole-5-carboxamide
+Cc1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F	JBO	2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid
+c1cc2c(c(c1)F)C(NC=N2)O	JBQ	5-fluoranyl-3,4-dihydroquinazolin-4-ol
+c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O	JBR	4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid
+Cc1c(c(on1)C)c2ccc3c(c2)c(nc(n3)c4cnn(c4)CC(C)(C)O)N5CCOC[C@@H]5c6ccccc6	JBS	1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3s)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1h-pyrazol-1-yl)-2-methylpropan-2-ol
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N[C@H](C)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O	JBT	gdp-n-acetylperosamine-coenzyme a
+C([C@H]([C@@H](CO)O)O)C(=O)C(=O)O	JBU	(4r,5r)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid
+Cc1nc2c(cccc2n1c3ccc(s3)C(=O)NC4CC4)C#N	JBW	5-(4-cyano-2-methyl-1h-benzimidazol-1-yl)-n-cyclopropylthiophene-2-carboxamide
+C[C@@H](C(=O)O)N1C(=N/C(=C\c2ccc(cc2)O)/C1=O)CN	JBY	(2s)-2-{(4z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}propanoic acid
+COc1ccc2c(c1)sc(n2)C(=O)O	JBZ	6-methoxy-1,3-benzothiazole-2-carboxylic acid
+CCCC[C@@H](CCO)[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	JC1	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2s,3s)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+CC(C)C[C@@H](C(=O)N[C@@H](CCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	JC2	(2~{s})-4-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid
+CN1C[C@H](C[C@H](C1)NC2=NC3=C(CCC3)C(=O)N2C)c4ccccc4	JC3	3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-one
+c1ccc(c(c1)c2cc(cc(c2)[N+](=O)[O-])C(=O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	JC4	2'-(beta-d-galactopyranosyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic acid
+COc1c(cc(cc1OCCCN2Cc3ccccc3C2)CN)CN	JC5	[3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O	JC6	steviolbioside
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2cccc(c2c3cccc(c3)NS(=O)(=O)C)C(F)(F)F)CO)O)O	JC7	n-[2'-{[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide
+c1cc(ncc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4	JC8	6-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide
+CN[C@@]1(CCCCC1=O)c2ccccc2Cl	JC9	(2~{s})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
+Cc1ccc(cc1)S(=O)(=O)n2ccc3c2cccc3	JCB	n-(p-toluenesulfonyl)-indole
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccccc2c3cc(cc(c3)[N+](=O)[O-])C(=O)O)CO)O)O	JCD	2'-{[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid
+c1ccnc(c1)Cn2ccc3c2cc(cc3)c4cc(n[nH]4)N	JCE	5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{h}-pyrazol-3-amine
+Cc1ccc2cc(cc(c2n1)O)C(=O)N	JCF	8-hydroxy-2-methylquinoline-6-carboxamide
+C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C	JCG	(2r)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+COc1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N	JCH	3-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1~{h}-pyrazol-5-amine
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCC5	JCK	5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl	JCL	4-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl) butyl phosphate
+COc1cccc(c1)COC(=O)c2c[nH]nc2	JCQ	(3-methoxyphenyl)methyl 1~{h}-pyrazole-4-carboxylate
+c1ccc2c(c1)C(=CC3=[N]2[Ru]4567([C]8[C]4[C]5[C]6[C]78)(OC3=O)[O])N9CCN(CC9)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2	JCT	biotinylated ruthenium cyclopentadienide
+c1cnc(cc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4	JCW	2-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide
+C[C@H](c1ccccc1)[C@@H](C(=O)O)N	JCX	(2s,3r)-2-azanyl-3-phenyl-butanoic acid
+Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F	JCY	1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1h-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1h-indazol-3-yl)-n,n-dimethylmethanamine
+c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N	JCZ	3-(1~{h}-indol-6-yl)-1~{h}-pyrazol-5-amine
+CC(C)Oc1ccc(cc1)c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)O	JD1	[({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)
+c1ccnc(c1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JD2	5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+C[C@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N	JD3	(2s,3r)-2-azanyl-3-(1h-indol-3-yl)butanoic acid
+c1cc(ccc1c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)O)OC3CC3	JD5	[({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)
+c1cc(ccc1C#N)[C@@H]2CCCc3n2cnc3	JD7	4-[(5s)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
+CN1CCCC[C@@H]1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JD8	5-azanyl-3-[1-[[(2~{r})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+COc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	JDB	5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](C(C)C)NC(=O)[C@H]3Cc4ccc(cc4CN3)O	JDC	(3r)-7-hydroxy-n-{(2s)-1-[(3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
+CNC(=O)CN(C1CCN(CC1)c2ccccn2)C(=O)Cc3ccc(cc3)n4cccn4	JDD	n-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-n-(1-pyridin-2-ylpiperidin-4-yl)ethanamide
+COc1cc(cc(c1)c2cccnc2)COC(=O)c3c[nH]nc3	JDE	(3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{h}-pyrazole-4-carboxylate
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	JDF	steviol-19-o-glucoside
+CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5	JDG	2-cyclohexyl-7-methoxy-n-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3h-1,4-benzodiazepin-5-amine
+CN1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N	JDH	5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO	JDJ	23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCCC5	JDK	3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazol-5-amine
+c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)CO	JDM	5-{2-[2-(hydroxymethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+B(c1ccc2c(c1)cc[nH]2)(O)O	JDN	1~{h}-indol-5-ylboronic acid
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O	JDO	rebaudioside d
+Cc1cc2c(cccc2n1c3nc4c(c(n3)NCc5ccccc5)COCC4)C(=O)N	JDP	1-[4-(benzylamino)-7,8-dihydro-5h-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1h-indole-4-carboxamide
+c1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N	JDQ	3-[1-(phenylmethyl)indol-6-yl]-1~{h}-pyrazol-5-amine
+CSc1nc(c(c(n1)Cl)C=O)NCc2ccc(cc2)S(=O)(=O)N	JDR	4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide
+c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N\O)O	JDS	6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{z})-hydroxyiminomethyl]pyridin-3-ol
+CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	JDT	2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate)
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	JDV	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate
+CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3cccc(c3C(=O)O)OC	JDX	2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]benzoic acid
+CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	JDY	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate
+C[C@H](c1c[nH]c2c1c(ccc2)Cl)[C@H]3C(=O)N=C(O3)NC	JE0	(5s)-5-[(1r)-1-(4-chloranyl-1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one
+CC1(CCN(CC1)C2=NC=C(C(=O)N2)Sc3cccnc3C(F)(F)F)CN	JE1	2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3h)-one
+Cc1ccccc1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C	JE2	(4r)-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-n-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide
+C[C@H](c1c[nH]c2c1c(ccc2)F)[C@H]3C(=O)N=C(O3)NC	JE3	(5s)-5-[(1r)-1-(4-fluoranyl-1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one
+CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4Cl)Cl)C(=O)N2C)N	JE4	6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+Cc1cc(cc(n1)NC(=O)Cc2ccccc2)N3CC[C@@](C3=O)(C#N)C4CC4	JE6	~{n}-[4-[(3~{s})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide
+c1cc(c(c(c1)Cl)Cl)Sc2ccc3c(n2)[nH]c(n3)N	JE7	5-[(2,3-dichlorophenyl)sulfanyl]-3h-imidazo[4,5-b]pyridin-2-amine
+CN1CCC[C@@H](C1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JE8	5-azanyl-3-[1-[[(3~{s})-1-methylpiperidin-3-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+CC(=O)c1cc(c2n1ccc(c2)OC(=O)N(C)C)C(=O)Nc3cc(cc(c3F)c4cnn(c4)C5CC5)CO	JE9	3-acetyl-1-((3-(1-cyclopropyl-1h-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate
+C[C@H]1[C@H](C2(CCN(CC2)C3=Nc4c(c([nH]n4)c5ccnc(c5Cl)NC6CC6)C(=O)N3C)CO1)N	JEA	6-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1cc(cnc1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JEB	5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+Cc1ccc(cc1)c2cc(c3c(n[nH]c3n2)c4ccc(cc4)Br)C(=O)O	JED	3-(4-bromophenyl)-6-(4-methylphenyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCOCC5	JEE	5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+C[C@@H](COC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC(C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OCCOC)N	JEF	o-(o-(2-aminopropyl)-o'-(2-methoxyethyl)polypropylene glycol 500)
+C1C(CC1(C(=O)O)N)C(=O)O	JEG	trans-1-aminocyclobutane-1,3-dicarboxylic acid
+CC(C)N1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N	JEH	5-azanyl-3-[1-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+CN1C(=Cc2c(c(no2)c3ccccc3Cl)C1=O)c4ccc(cc4)CN(C)C	JEJ	3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5h)-one
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCCC5	JEK	5-azanyl-3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+Cc1cccc(c1)N2CCN(CC2)c3ccc(nn3)OC	JEN	3-methoxy-6-[4-(3-methylphenyl)-1-piperazinyl]pyridazine
+C[C@]12CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	JEO	(3~{z},5~{r},8~{r},9~{s},10~{r},13~{s},14~{s})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione
+c1ccc(cc1)CN2CCC[C@H](C2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N	JEQ	5-azanyl-3-[1-[[(3~{r})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+CCc1cc(cc(c1OC[C@H](CO)O)C)c2nc(on2)c3cc(nc(c3)OC)C4CCCC4	JER	(2~{s})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol
+COC(=O)COc1cccc(c1)COC(=O)c2c[nH]nc2	JET	[3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methyl 1~{h}-pyrazole-4-carboxylate
+CC(C)Oc1ccc(cc1C#N)c2nc(no2)c3cccc4c3CC[C@@H]4NCCO	JEU	5-[3-[(1~{s})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{h}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile
+CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3	JEV	n-{2-[(8s)-1,6,7,8-tetrahydro-2h-indeno[5,4-b]furan-8-yl]ethyl}propanamide
+c1ccc(c(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)C#N	JEW	2-[[6-(5-azanyl-1~{h}-pyrazol-3-yl)indol-1-yl]methyl]benzenecarbonitrile
+c1ccc(cc1)c2cc(sc2C(F)(F)F)c3nc(no3)c4cccc(c4)C(F)(F)F	JEX	5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
+CC(=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC	JEY	n-[2-(5-methoxy-2-phenyl-1h-indol-3-yl)ethyl]acetamide
+Cc1cccc(c1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccncc4	JF0	1-(5-((3'-methyl-[1,1'-biphenyl]-4-yl)oxy)pentyl)-3-(
+C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C	JF1	(1s,5s,8s,9ar)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2h-quinolizinium
+C[C@@H]1CCC[NH+]2[C@]1(C[C@@H](CC2)C(=C)C)C	JF2	(1r,5r,8r,9as)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2h-quinolizinium
+C[C@@H]1CCC[C@]2([NH+]1C[C@H](CC2)C(=C)C)C	JF4	(3r,5s,6r,9ar)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2h-quinolizinium
+c1ccc(cc1)COC(=O)c2c[nH]nc2	JF5	(phenylmethyl) 1~{h}-pyrazole-4-carboxylate
+c1ccc(cc1)c2c(non2)N	JF6	4-phenyl-1,2,5-oxadiazol-3-amine
+c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N	JF8	5-azanyl-3-(1~{h}-indol-6-yl)-1~{h}-pyrazole-4-carbonitrile
+c1c(onc1C(=O)N(C2CCCCC2)C3CCCCC3)C4CC4	JF9	n,n-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide
+c1ccc2c(c1)[nH]c(n2)CN3C=C(NC3=O)Cc4ccc(cc4Cl)Cl	JFA	1-[(1h-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2h-imidazol-2-one
+c1cc(cc2c1ccn2Cc3ccncc3)c4c(c([nH]n4)N)C#N	JFB	5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+C1(=C(NC(=O)NC1=O)N)Br	JFD	6-amino-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
+COc1cccc(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N	JFE	3-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-1~{h}-pyrazol-5-amine
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCC5	JFH	3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazol-5-amine
+CNCc1cccc(c1)Cl	JFJ	1-(3-chlorophenyl)-n-methylmethanamine
+COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5	JFK	(1s,6r)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one
+CS(=O)(=O)NCCc1ccccc1	JFM	n-(2-phenylethyl)methanesulfonamide
+C[C@H](COC)N	JFN	(2r)-1-methoxypropan-2-amine
+CCC(=O)Nc1nc(cs1)C	JFP	n-(4-methyl-1,3-thiazol-2-yl)propanamide
+C1CC(CCC1N)NCCCN	JFQ	trans-n-(3-aminopropyl)cyclohexane-1,4-diamine
+c1ccc2c(c1)ncn2c3ccc(cc3)CO	JFS	[4-(1h-benzimidazol-1-yl)phenyl]methanol
+c1cc(cnc1)Cn2cc(c3c2cc(cc3)c4c(c(n[nH]4)N)C#N)Cl	JFT	3-azanyl-5-[3-chloranyl-1-(pyridin-3-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+COC(=O)c1ccccc1Oc2ccc(cc2)N	JFV	methyl 2-(4-aminophenoxy)benzoate
+Cc1c2cc(ccc2[nH]n1)NS(=O)(=O)CCCCF	JFX	4-fluoro-n-(3-methyl-1h-indazol-5-yl)butane-1-sulfonamide
+CC[C@H](C)c1ccc(cc1)NS(=O)(=O)C	JFY	n-{4-[(2s)-butan-2-yl]phenyl}methanesulfonamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O	JFZ	4-nitrophenyl 6-deoxy-alpha-l-galactopyranoside
+c1ccc(cc1)CCCCCCC(=O)c2nnc(o2)c3ccccn3	JG1	7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one
+c1ccc(cc1)CCCCCCC(c2nnc(o2)c3ccccn3)(O)O	JG2	7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol
+c1ccc(cc1)C[C@@H]([C@H](C[N@]2CCC[C@H]2C(=O)O)O)N	JG3	1-[(2s,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-proline
+c1cc(sc1)c2[nH]ccn2	JG4	2-(thiophen-2-yl)-1h-imidazole
+CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)COCCOCCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)COCCOCCNC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1	JG5	(2s)-6-acetamido-2-[[2-[2-[2-[[4-carboxy-4-[[(4s)-4-carboxy-4-[[2-[2-[2-[4-[16-(1h-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]acetyl]amino]butanoyl]amino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl)N5CCN(CC5)CC	JG7	(2s,4r)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
+c1ccc2c(c1)c3c(o2)C(=O)NC=N3	JG8	benzofuro[3,2-d]pyrimidin-4(3h)-one
+CCNC(=O)Nc1cc(on1)C	JGA	n-ethyl-n'-(5-methyl-1,2-oxazol-3-yl)urea
+c1cc(c(cc1/C=C(\C#N)/C(=O)N)O)O	JGB	(~{e})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide
+CN(C)c1ccncc1	JGD	n,n-dimethylpyridin-4-amine
+C[C@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O	JGE	(r)-ketoprofen
+c1cc(ccc1CNC(=O)N2CCOCC2)C#N	JGG	n-[(4-cyanophenyl)methyl]morpholine-4-carboxamide
+[O][W]1234O[Ce]56789(O[W]%10%11(O1)(O2P12O%12%13[W]%14%15(O5)(O[W]5%16(O6)(O11[W]6(O%10)(O5)(O[W]5%10(O%11)(O22[W]%11(O3)(O5)(O[W]%12(O4)(O%14)(O[W]%133(O%15)(O[W]1(O%16)(O6)(O[W]2(O%11)(O%10)(O3)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])O[W]123(O[W]45(O7)(O1P16O7%10[W]%11%12(O8)(O[W]8%13(O9)(O11[W]9(O4)(O8)(O[W]48(O5)(O65[W]6(O2)(O4)(O[W]7(O3)(O%11)(O[W]%102(O%12)(O[W]1(O%13)(O9)(O[W]5(O6)(O8)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	JGH	1:2 ce-substituted keggin
+C[C@H](c1ccccc1)NC(=O)COC	JGJ	2-methoxy-n-[(1r)-1-phenylethyl]acetamide
+CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(onc4N)C)C(=O)C	JGK	~{n}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
+CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NN	JGM	{n}-[(2~{s})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide
+Cc1cc(c2c(c1CN3CC[C@@H](C[C@H]3CO)OC)cc[nH]2)C	JGN	[(2~{s},4~{s})-1-[(5,7-dimethyl-1~{h}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol
+c1cc2c(cc1C(=O)N3CCCCCC3)OCO2	JGP	(azepan-1-yl)(2h-1,3-benzodioxol-5-yl)methanone
+CCO[C@H]1CCN([C@@H](C1)c2ccc(cc2)C(=O)O)Cc3c4cc[nH]c4c(cc3OC)C	JGQ	4-[(2~{s},4~{s})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{h}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
+c1cc(cc(c1)NC(=O)c2ccno2)C(=O)O	JGS	3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid
+Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br	JGT	~{n}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{h}-imidazol-2-amine
+c1cc2c(cc1C(=O)N3CCOCC3)NNS2	JGV	(2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone
+CC1=Nc2ccccc2C(=O)C1c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F	JGW	2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{h}-quinolin-4-one
+Cn1ccc(n1)C(=O)NC[C@@H]2CCCO2	JGY	1-methyl-n-{[(2s)-oxolan-2-yl]methyl}-1h-pyrazole-3-carboxamide
+Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)c4ccc(cc4)S(=O)(=O)N)C)C#N	JGZ	4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide
+CCCCCCCCCCCCCCCC(=O)N(CCCC[C@@H](C(=O)O[C@H](C)CC(=O)N[C@H]1CCCCN(C1=O)O[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)NC(=O)[C@H]4COC(=N4)c5ccccc5O)O	JH0	6-(hydroxy-hexadecanoyl-amino)-2-{[(4s)-2-(2-hydroxy-phenyl)-4,5-dihydro-oxazole-4-carbonyl]-amino}-hexanoic acid 2-[(3s)-1-(tert-butyl-diphenyl-silanyloxy)-2-oxo-azepan-3-ylcarbamoyl]-(1s)-1-methyl-ethyl ester
+CCn1cc(cn1)C(=O)NCc2ccc(cc2)F	JH1	1-ethyl-n-[(4-fluorophenyl)methyl]-1h-pyrazole-4-carboxamide
+CC[C@]1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C	JH2	methyl (2e,6e)-9-[(2r,3s)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
+C/C(=C\CC/C(=C/C(=O)OC)/C)/CC[C@@H]1C(O1)(C)C	JH3	methyl (2e,6e)-9-[(2r)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
+CNc1ncccn1	JH4	n-methylpyrimidin-2-amine
+c1ccc(cc1)CN[n+]2cnn(c2)Cc3ccccc3	JH5	1-benzyl-4-(benzylamino)-1h-1,2,4-triazol-4-ium
+CN1C(=CC(=O)N1)Nc2ccccc2	JH7	1-methyl-5-(phenylamino)-1,2-dihydro-3h-pyrazol-3-one
+CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cccc4	JH8	2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{n},~{n}-dimethyl-ethanamide
+CC1CCN(CC1)c2ccc(cc2Cl)N	JHA	3-chloro-4-(4-methylpiperidin-1-yl)aniline
+CC1=C(Nc2cc(ccc2C1=O)Cl)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F	JHB	7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{h}-quinolin-4-one
+CC[C@H](C)[C@H]1CN(CCCN1C(=O)c2cc(ccc2n3nccn3)C)c4nc5cc(ccc5o4)Cl	JHC	[(2s)-2-[(2s)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2h-1,2,3-triazol-2-yl)phenyl]methanone
+COc1ccc(cc1OC)CN	JHD	1-(3,4-dimethoxyphenyl)methanamine
+CC1=C(N(c2ccccc2C1=O)O)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F	JHE	3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one
+c1ccc(cc1)CCCN([C@H]2CNC[C@@H]2NCc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N	JHG	4-{(3-phenylpropyl)[(3s,4s)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide
+C[C@@H]1[C@@H]2CC[C@]3([C@@H]4C[C@@H]5[C@H]([C@@H]4[C@H]([C@@H]1O3)C(=O)O2)[C@@H]6[C@@H](C=C5C)[C@H]([C@@H]([C@H]6O)C)O)C	JHH	cyclostreptin
+COc1ccc(cc1)NC(=O)Nc2ccncc2	JHJ	n-(4-methoxyphenyl)-n'-pyridin-4-ylurea
+CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cncc4	JHK	~{n},~{n}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O	JHM	2-deoxy-6-o-sulfo-alpha-d-glucopyranose
+c1c2c(cnc1CNC3CCN(CC3)C[C@@H]4CN5C(=O)C=CC6=C5N4C(=O)C=N6)OCCC2	JHN	(3~{r})-3-[[4-(3,4-dihydro-2~{h}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione
+Cn1cc(c(n1)C(=O)NC2CCCC2)Cl	JHP	4-chloro-n-cyclopentyl-1-methyl-1h-pyrazole-3-carboxamide
+CC(=O)NCC1(CCOCC1)c2ccccc2	JHS	n-[(4-phenyloxan-4-yl)methyl]acetamide
+CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N	JHT	7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine
+c1cc(c(cc1Cl)N)Nc2ccncc2	JHV	4-chloro-n~1~-(pyridin-4-yl)benzene-1,2-diamine
+c1cc(cnc1)c2nc3ccc4c(c3s2)C(=O)N(C=N4)C5CC5	JHW	8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one
+c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O	JHY	3-(5,6-dichloro-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid
+C[C@@H]1C(=O)[C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N	JHZ	(2r,4s,6r)-4-amino-4,6-dimethyl-5-oxotetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCCO	JI1	3-({(3s,4s)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol
+c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCN	JI2	n-{(3s,4s)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCc3ccc(cc3)Cl	JI3	n-{(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-(4-chlorobenzyl)ethane-1,2-diamine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F	JI4	n-{(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F	JI5	n-{(3r,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCc3cccc(c3)Cl	JI7	n-{(3r,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-(3-chlorobenzyl)ethane-1,2-diamine
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)O	JIA	(2~{r},3~{r},4~{r},5~{r})-2-[(1~{s},2~{s},3~{r},4~{s},6~{r})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-(aminomethyl)-3-azany l-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
+c1c(cc(c(c1F)F)F)O	JIF	3,4,5-tris(fluoranyl)phenol
+c1cc2c(cc1[N+](=O)[O-])CN[C@@H](C2)CNCCSC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	JIL	9-{5-s-[2-({[(3s)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-l-lyxofuranosyl}-9h-purin-6-amine
+CC(=O)OC[C@@H](CO)O	JIM	(2r)-2,3-dihydroxypropyl acetate
+Cc1cc(ccc1F)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C	JIN	6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCO	JJ1	n-[(1s)-1-{[(1s)-5-amino-1-[(2-cyclohexylethyl)carbamoyl]pentyl]carbamoyl}-2-hydroxyethyl]-10-hydroxydecanamide
+CN(C)CCN1C=Cc2c(ccn2Cc3ccc(c(c3)Cl)Cl)C1=O	JJ2	1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one
+COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O	JJ3	(3as,4r,9br)-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
+Cc1cnc(s1)NC(=O)CCC2CCCC2	JJ4	3-cyclopentyl-n-(5-methyl-1,3-thiazol-2-yl)propanamide
+c1cc(c(cc1Cn2ccc3c2CC=NC3=O)Cl)Cl	JJ5	1-[(3,4-dichlorophenyl)methyl]-7~{h}-pyrrolo[3,2-c]pyridin-4-one
+CC(=O)N1CCC(CC1)NCCOC	JJ7	1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one
+c1cc(c(cc1Cn2ccnc2)Cl)Cl	JJ8	1-[(3,4-dichlorophenyl)methyl]imidazole
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)c4ccccc4	JJA	n-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)Cc4ccccc4	JJB	n-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide
+CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)O)c3ccc(cc3)C#N)C(=O)C	JJD	2-[(4r)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4h-pyrimidin-3-yl]ethanoic acid
+CCN1C(=NN(C1=O)c2cc(c(cc2F)C(=O)Nc3c(cccc3Cl)F)O[C@@H](C)C(F)(F)F)CO	JJE	~{n}-(2-chloranyl-6-fluoranyl-phenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxidanylidene-1,2,4-triazol-1-yl]-5-fluoranyl-2-[(2~{s})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-benzamide
+c1ccc(cc1)SCCN2CCOCC2	JJG	4-[2-(phenylsulfanyl)ethyl]morpholine
+c1cc(c(cc1N2C[C@@H](OC2=O)CO)F)OCC3(CCN(CC3)c4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)O	JJH	cadazolid
+c1cc(cnc1)C(=O)SC[C@@H](C(=O)O)N	JJJ	s-(pyridin-3-ylcarbonyl)-l-cysteine
+c1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N	JJK	s-[(s)-hydroxy(pyridin-3-yl)methyl]-l-cysteine
+COc1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N	JJL	s-[(s)-hydroxy(5-methoxypyridin-3-yl)methyl]-l-cysteine
+Cc1cccc(c1)Nc2c3cnn(c3ncn2)C	JJM	1-methyl-n-(3-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC1(CCN(CC1)C)[C@@]23[C@@H](c4ccccc4C(=O)N2)c5ccccc5N3	JJN	(6~{a}~{r},11~{b}~{s})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{h}-indolo[2,3-c]isoquinolin-5-one
+Cn1c2ccccc2c3c1[C@H]4C[C@@H](C3)NC[C@H]4O	JJP	(2s,5s,6r)-7-methyl-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol
+C[C@@]12CC(N[C@@]1(Nc3c2cccc3)C)(C)C	JJQ	(3~{a}~{r},8~{b}~{s})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{h}-pyrrolo[2,3-b]indole
+CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(nc3)C#N)C(=O)C	JJS	5-[(6r)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile
+C1CC(=N)CN([C@@H]1C(=O)NC2CCNCC2)C(=O)O	JJT	(2~{s})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid
+CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3S(=O)(=O)C)C#N)C#N	JJV	(6s)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile
+CCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O	JJW	(2~{s},3~{s},4~{r})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol
+CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)N3CCN(CC3)C(C)C)c4ccc(cc4)C#N)C#N	JJX	(4r)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4h-pyrimidine-5-carbonitrile
+c1c2c(nc3c1C(=O)CCC3)CCCC2=O	JJY	3,4,6,7-tetrahydroacridine-1,8(2h,5h)-dione
+c1ccc2c(c1)cc3ccccc3c2C=NNC(=O)CCC(=O)Nc4cccc(c4)Cl	JJZ	4-[2-(anthracen-9-ylmethylidene)hydrazino]-n-(3-chlorophenyl)-4-oxobutanamide
+COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4	JK1	3-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-1-yl}-n-(3,4,5-trimethoxyphenyl)benzamide
+COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5F	JK2	3-{5-[(2-fluorophenyl)amino]-1h-indazol-1-yl}-n-(3,4,5-trimethoxyphenyl)benzamide
+C#CCN1CCN(CC1)c2c(cccc2Cl)NC(=O)c3ccc(o3)Br	JK3	5-bromo-n-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3F)F)(F)F	JK4	6-{[(3r,4r)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cc(cc(c3)Cl)F)(F)F	JK5	6-{[(3r,4r)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+c1ccc2c(c1)[C@H]3[C@H]([C@@H]([C@@H]2O3)O)NC(=O)C4CCC4	JK7	n-[(1s,2s,3s,4r)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide
+c1ccc(cc1)[C@H](CN)Oc2c3cc(ccc3on2)c4ccccc4Cl	JK8	(2~{r})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine
+CS(=O)(=O)N1C[C@@H]([C@H]2C[C@@H]1CC[C@H]2O)O	JKA	(1s,4r,5s,6r)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol
+c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])F	JKB	(2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
+c1ccc(c(c1)C(=O)O)S	JKE	2-sulfanylbenzoic acid
+Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5c(cccc5F)F)OC	JKF	6-[(r)-(4-chlorophenyl)(methoxy)(1-methyl-1h-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1h)-one
+c1cc(sc1)CNCc2ccc(cc2)O	JKG	4-({[(thiophen-2-yl)methyl]amino}methyl)phenol
+C1[C@@H](CN[C@@H]1C(=O)O)[NH3+]	JKH	4-amino-proline
+COC[C@@H]1C2(CCC(N1S(=O)(=O)C)CC2)O	JKJ	(1r,3r,4s)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol
+c1cc(cc(c1)Cl)CNCCS(=O)(=O)O	JKK	2-[(3-chlorobenzyl)amino]ethanesulfonic acid
+C1=CN(C(=O)NC1=O)[C@@H]2[C@@H]3[C@@H]([C@H](O2)CO)O[P@@](=O)(O3)O	JKM	1-[(2s,3as,4s,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4( 1h,3h)-dione
+CC(C)(c1ccc(cc1)C2=Nc3c(cc(cc3F)F)C(=O)N2)O	JKN	6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{h}-quinazolin-4-one
+c1c(cc(nc1Cl)Cl)C(=O)O	JKP	2,6-dichloropyridine-4-carboxylic acid
+CCc1c(c2c(ncnc2s1)N[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4	JKQ	(2~{r})-2-[[6-ethyl-5-(1~{h}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
+c1cc(ncc1N2CCCC2)C#N	JKS	5-(pyrrolidin-1-yl)pyridine-2-carbonitrile
+CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]2C[C@H](N(C2)C(=O)CCCc3ccccc3)C(=O)N4CCC[C@H]4[C@H](N)O	JKT	tert-butyl n-[[1-[(3s,5s)-5-[(2s)-2-[azanyl(oxidanyl)methyl]pyrrolidin-1-yl]carbonyl-1-(4-phenylbutanoyl)pyrrolidin-3-yl]-1,2,3-triazol-4-yl]methyl]carbamate
+c1cc(ccc1c2cc([nH]n2)N)Cl	JKV	3-(4-chlorophenyl)-1h-pyrazol-5-amine
+CN1CCC(CC1)CNC2=NC(=O)C(=S2)Cc3csc(n3)c4ccc(cc4)OC(F)(F)F	JKW	2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one
+CS(=O)(=O)NCc1ccc(cc1)Cl	JKY	n-[(4-chlorophenyl)methyl]methanesulfonamide
+C1CC2=C(C1)NC(=O)C=C2C(F)(F)F	JKZ	4-(trifluoromethyl)-1,5,6,7-tetrahydro-2h-cyclopenta[b]pyridin-2-one
+Cc1ccc(cc1)Sc2c(cccn2)C(=O)O	JL1	2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid
+COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4cccc(c4)CCC#N	JL2	3-[3-[2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile
+Cc1nc(cs1)c2ccc(s2)C(=O)O	JL4	5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
+CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4cc(c(c(c4C)Cl)O)N5CCN(CC5)C	JL5	(2~{r})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
+c1cc(ccc1c2nc(cs2)C(=O)O)C(F)(F)F	JL7	2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
+CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)O	JL8	(2~{r})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
+c1cnccc1CN2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3	JL9	2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one
+c1cc(ccc1C(=O)O)N2CCCCC2	JLA	4-(piperidin-1-yl)benzoic acid
+CCc1c(c2c(ncnc2s1)O[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4	JLB	(2~{r})-2-[6-ethyl-5-(1~{h}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid
+CN1CC[C@H]([C@@H](C1)CO)c2ccc(cc2)F	JLD	[(3s,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
+CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc5c4cc[nH]5	JLE	(2~{r})-2-[[6-ethyl-5-(1~{h}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
+c1cc(sc1)c2nc(cs2)C(=O)O	JLG	2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid
+CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)OCCN5CCN(CC5)C	JLH	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
+CC(=CCOc1cc(ccc1C#N)Nc2nccc(n2)OC)C	JLJ	4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile
+CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4ccccc4C	JLK	(2~{r})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
+Cc1c2ccccc2oc1C(=O)O	JLM	3-methyl-1-benzofuran-2-carboxylic acid
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)O	JLN	5-(formylamino)-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid
+C/C(=C\C=O)/C=C/c1cc2c3c(c1)CCCN3CCC2	JLO	(2e,4e)-3-methyl-5-(2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal
+Cc1c(c(c(cn1)CO)/C=N/CCCC[C@@H](C(=O)O)N)O	JLP	(2s)-2-azanyl-6-[e-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O)O	JLS	(15z)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide
+C(CP(=O)(O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CP(=O)(O)O)O)O)O	JLT	3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-d-glycero-d-gulo-octitol
+CNC(=S)NC1CCCCC1	JLV	n-cyclohexyl-n'-methylthiourea
+Cc1ccc(c(c1C(=O)N(C)C)O)NC2=NS(=O)(=O)N=C2N[C@@H](c3ccc(o3)C)C(C)(C)C	JLW	3-[[4-[[(1~{r})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{n},~{n},6-trimethyl-2-oxidanyl-benzamide
+COc1ccc(cc1)C2=NCCc3c2ccs3	JLY	4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine
+[H]/N=C(/c1ccc(c(c1)F)C)\N	JLZ	3-fluoro-4-methylbenzenecarboximidamide
+c1ccc2c(c1)c3c4n2[Ru]5678(C9C5C6C7C89)([N]1=C4C(=CC(=C1)F)C1=C3C(=O)NC1=O)C#[O+]	JM1	fluorinated pyridocarbazole cyclopentadienyl ru(co) complex
+[H]/N=C(\CSC)/NCCC[C@@H](C(=O)O)N	JM2	n~5~-[2-(methylsulfanyl)ethanimidoyl]-l-ornithine
+[H]/N=C(/CCSC(C)C)\NCCC[C@@H](C(=O)O)N	JM4	n~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-l-ornithine
+[H]/N=C(/CSCCC)\NCCC[C@@H](C(=O)O)N	JM5	n~5~-[2-(propylsulfanyl)ethanimidoyl]-l-ornithine
+[H]/N=C(/CCCSC)\NCCC[C@@H](C(=O)O)N	JM6	n~5~-[4-(methylsulfanyl)butanimidoyl]-l-ornithine
+[H]/N=C(\CSCC)/NCCC[C@@H](C(=O)O)N	JM7	n~5~-[2-(ethylsulfanyl)ethanimidoyl]-l-ornithine
+[H]/N=C(\CCSCC)/NCCC[C@@H](C(=O)O)N	JM8	n~5~-[(3-(ethylsulfanyl)propanimidoyl]-l-ornithine
+c1c2c(cc(c1Cl)Cl)n(cn2)CCCCO	JMA	4-(5,6-dichloro-1h-benzimidazol-1-yl)butan-1-ol
+CCC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2	JMB	(3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium
+CN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N	JMC	[(2~{r},3~{r},4~{r},5~{r})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{h}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1cc(ccc1CCO)C#N	JMD	4-(2-hydroxyethyl)benzonitrile
+c1ccc(cc1)c2ccc(s2)C(=O)O	JMG	5-phenylthiophene-2-carboxylic acid
+[H]/N=C\1/C=CN(C(=O)N1C)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	JMH	3-methylcytidine- 5'-monophosphate
+CSc1nnc(s1)NC(=O)c2ccco2	JMJ	n-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
+c1ccc2c(c1)c(c[nH]2)CN3CCN(CC3)c4nc5ccccc5s4	JMK	2-[4-(1~{h}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3	JMM	[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
+Cc1ccc(cc1C)O[C@H]2CCN(C[C@@H]2O)CC#C	JMN	(3~{s},4~{s})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol
+CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(=O)O	JMP	2-{[3-(1-methylethoxy)phenyl]carbamoyl}benzoic acid
+c1c(c2c([nH]1)C(=O)NC=N2)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O	JMQ	7-(((2r,3r,4s)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3h-pyrrolo[3,2-d]pyrimidin-4(5h)-one
+Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl	JMS	2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid
+c1ccc2c(c1)nc(s2)N3CCN(CC3)Cc4c[nH]c5c4cc(cc5)O	JMT	3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{h}-indol-5-ol
+c1cc(cc(c1)Cl)OCC(=O)O	JMV	(3-chlorophenoxy)acetic acid
+c1cc2c(cc1O)c(c[nH]2)CN3CCN(CC3)c4nc5cc(ccc5s4)Cl	JMW	3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{h}-indol-5-ol
+CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cccc(c3O2)F)CO	JMY	1-[(3s,3as,8bs)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1h-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one
+c1cc2c(cc1c3ccnc(n3)N)[nH]nc2N	JMZ	6-(2-aminopyrimidin-4-yl)-1h-indazol-3-amine
+c1ccc2c(c1)[C@@H]3C[N@](S2(=O)=O)CC(=O)N3	JN1	(6r)-5,6-dihydro-1h-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3h)-trione
+c1cc(cc(c1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3ccc(cc3)F	JN2	3-(4-fluorophenyl)-~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	JN3	chenodeoxycholic acid
+C=CNC(=O)N1CCc2c(sc(c2C(=O)OC=C)NC(=O)Cc3ccccc3)C1	JN4	ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
+c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4	JN5	(2s)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile
+C=COC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1	JN7	3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate
+CCNC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1	JN8	cyclopentyl 6-(ethylcarbamoyl)-2-[(thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
+c1ccc(cc1)S(=O)(=O)NCc2cccs2	JNA	n-[(thiophen-2-yl)methyl]benzenesulfonamide
+c1ccc(cc1)c2ccc(cc2)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	JNB	~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-phenyl-benzamide
+CCc1cc2c(s1)N=CNC2=O	JND	6-ethylthieno[2,3-d]pyrimidin-4(3h)-one
+Cc1cccc(n1)NCc2ccccc2	JNE	6-methyl-~{n}-(phenylmethyl)pyridin-2-amine
+C[N@@](c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4	JNF	n-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-n-methylpyrimidin-2-amine
+c1cc(ccc1SCC(=O)O)Cl	JNG	[(4-chlorophenyl)sulfanyl]acetic acid
+c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)N3CCC[C@H]3CN)N	JNH	1-[2-(s)-amino-3-biphenyl-4-yl-propionyl]-pyrrolidine-2-(s)-carbonitrile
+c1ccc(cc1)CN(c2ccccc2c3cccc(c3)c4cnc(nc4)N5CCNCC5)c6ccnc(n6)N	JNI	~{n}4-(phenylmethyl)-~{n}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine
+CN(C)Cc1nccn1c2ccc(c(c2)F)c3ccc4c(c3F)n(nc4C(=O)N)c5ccc6c(c5)c(no6)N	JNJ	1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1h-indazole-3-carboxamide
+COC1CCC(CC1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccc(cc4)F	JNK	n-{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl}-4-methoxycyclohexanecarboxamide
+CCCc1ccc(c(c1O)C(=O)C)O	JNM	1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one
+c1cc(c(cc1C(=O)NCCc2cc(no2)C(=O)NO)Cl)Cl	JNN	5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{n}-oxidanyl-1,2-oxazole-3-carboxamide
+CNC(=O)CN1CCC(CC1)Nc2nccc(n2)c3cnc4n3cccc4	JNO	2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-n-methylacetamide
+CC1(CC(=O)c2ccc(cc2O1)O)C	JNP	7-hydroxy-2,2-dimethyl-2,3-dihydro-4h-1-benzopyran-4-one
+c1ccc(cc1)/C=C\c2ccc3c(c2C(=O)O)OCO3	JNS	5-[(z)-2-phenylethenyl]-1,3-benzodioxole-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)N	JNT	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
+CC(=O)Cc1ccc(c(c1)Cl)Cl	JNV	1-(3,4-dichlorophenyl)propan-2-one
+c1ccc(c(c1)C(=O)N[C@H]2CCC(=O)NC2=O)C(=O)O	JNW	2-[[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid
+CC1=CC(=C(C(=O)N1)C#N)C(F)(F)F	JNY	6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
+c1ccc2c(c1)c(n[nH]2)N	JNZ	1h-indazol-3-amine
+Cn1c(ccn1)C(=O)NCc2cccs2	JO1	1-methyl-n-[(thiophen-2-yl)methyl]-1h-pyrazole-5-carboxamide
+c1cc(c(cc1[N+](=O)[O-])C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O	JO2	2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid
+CC(CC(=O)O)C(=O)O	JO3	(2r)-2-methylbutanedioic acid
+c1ccc(cc1)Oc2ccc(cc2)C(=O)O	JO4	4-phenoxybenzoic acid
+c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O	JO5	4-azanyl-2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
+CO[C@H]1CN([C@@H]2CC[C@H]([C@H]1C2)O)S(=O)(=O)C	JO7	(1r,4r,5r,6r)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol
+c1cc(c(c(c1)N)C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O	JO8	3-azanyl-2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid
+CO[C@@H]1CC[C@@H]2C[C@H]1[C@H](CN2S(=O)(=O)C)OC	JOA	(1r,4r,5r,6r)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane
+c1cc2c(cc1N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O	JOB	5-azanyl-2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
+C1CC2(CCC1N3[C@H]2COC3=O)O	JOD	(5s,8r,8as)-8-hydroxyhexahydro-3h-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one
+c1cc(c(c(c1)[N+](=O)[O-])C(=O)O)C(=O)N[C@H]2CC(=O)NC2=O	JOE	2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid
+c1ccc(cc1)NC(=O)N2C[C@@H]([C@@H]3C[C@H]2CC[C@@H]3O)O	JOG	(1r,4r,5r,6s)-4,6-dihydroxy-n-phenyl-2-azabicyclo[3.3.1]nonane-2-carboxamide
+c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)[C@H]3CC(=O)NC3=O	JOH	2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione
+c1nc(c(n1CC(=S)N)Cl)Cl	JOJ	2-(4,5-dichloro-1h-imidazol-1-yl)ethanethioamide
+c1ccc(cc1)CCC(=O)N[C@H]2CC(=O)NC2=O	JOK	~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide
+c1cc(ccc1C(F)(F)F)NC2=NNC(=S)S2	JOM	5-{[4-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2(3h)-thione
+C1C[C@H](NC1)COC(=O)N[C@H]2CC(=O)NC2=O	JON	[(2~{s})-pyrrolidin-2-yl]methyl ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
+C[C@H](CNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)O	JOP	n-[(1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl]-n'-[(2r)-2-hydroxypropyl]thiourea
+c1cc(ccc1CN)COC(=O)N[C@H]2CC(=O)NC2=O	JOQ	[4-(aminomethyl)phenyl]methyl ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
+CS(=O)(=O)Nc1ccc(cc1C(=O)O)F	JOR	5-fluoranyl-2-(methylsulfonylamino)benzoic acid
+C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](/C=C\C=C\C[C@@H]1O)C)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O	JOS	(2s,3s,4r,6s)-6-{[(2r,3s,4r,5r,6s)-6-{[(4r,5s,6s,7r,9r,10s,12e,14z,16r)-4-(acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-12,14-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2h-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2h-pyran-3-yl 3-methylbutanoate
+c1ccc(cc1)CC(=O)N[C@H]2CC(=O)NC2=O	JOT	~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide
+CC(C)(CO)NC(=O)c1cccc(c1)Cl	JOV	3-chloro-n-(1-hydroxy-2-methylpropan-2-yl)benzamide
+c1cc(ccc1CNC(=O)CCC(=O)O)COC(=O)N[C@H]2CC(=O)NC2=O	JOW	4-[[4-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid
+c1cnn(c1)Cc2ccc(cc2)C#N	JOY	4-[(1h-pyrazol-1-yl)methyl]benzonitrile
+c1ccc2c(c1)CCNC2=O	JOZ	3,4-dihydroisoquinolin-1(2h)-one
+c1cc(c(cc1NC(=O)N2CCOCC2)Cl)Oc3ccc(cc3O)Cl	JP1	n-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]morpholine-4-carboxamide
+c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)O	JP2	2-amino-4-oxo-1,4-dihydropteridine-7-carboxylic acid
+c1cc(oc1)CNC(=O)c2cnc3c(n2)N=C(NC3=O)N	JP3	2-amino-n-(furan-2-ylmethyl)-4-oxo-3,4-dihydropteridine-7-carboxamide
+c1ccc(c(c1)CO)N2CCOCC2	JP4	[2-(morpholin-4-yl)phenyl]methanol
+c1ccc(cc1)COC(=O)N[C@H]2CC(=O)NC2=O	JP5	(phenylmethyl) ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
+COc1ccc2c(c1)OC[C@H]3[C@H]2N4CCC(=O)N4C3	JP7	(6ar,12ar)-3-methoxy-6a,10,11,12a-tetrahydro-6h,7h,9h-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one
+C1C[C@@H](NC1)COC(=O)N[C@H]2CCC(=O)NC2=O	JP8	[(2~{r})-pyrrolidin-2-yl]methyl ~{n}-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
+Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	JPA	4-(2,4-dichlorophenoxy)-2'-methylbiphenyl-3-ol
+c1c(cc(c(c1Cl)C(=O)N[C@H]2CC(=O)NC2=O)Cl)Cl	JPB	~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide
+CC(C)N(c1cc(sc1C(=O)O)c2ccccc2)C(=O)c3ccc(cc3Cl)Cl	JPC	3-[(2,4-dichlorobenzoyl)(isopropyl)amino]-5-phenylthiophene-2-carboxylic acid
+CC[C@@H]([C@H]1C2(CCC(N1C(=O)OC)CC2)O)O	JPD	methyl (1s,3s,4r)-4-hydroxy-3-[(1s)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
+c1cc(cnc1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N	JPE	[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-pyridin-3-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
+CC(=O)c1ccccc1Oc2ccccc2	JPG	1-(2-phenoxyphenyl)ethan-1-one
+CC1=CC(=O)N=C(N1)CCn2cc(nn2)c3ccc4c(c3)OCCO4	JPH	2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{h}-pyrimidin-4-one
+c1ccc(cc1)CCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	JPJ	2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
+Cc1cccc(c1)CC(=O)NCc2cc(n3c(n2)cc(n3)C4CCOCC4)O	JPK	2-(3-methylphenyl)-~{n}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide
+c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl	JPL	5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
+c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	JPM	5-benzyl-2-(2,4-dichlorophenoxy)phenol
+c1ccc(cc1)CCCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	JPN	2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	JPP	piperacillin (open form)
+CC(=CC(=O)N[C@H]1CC(=O)NC1=O)C	JPQ	~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
+Cc1ccc(cc1Cl)NC(=O)NCCSCc2ccc(o2)CN(C)C	JPR	1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea
+c1c(sc2c1[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)CCC3CC3	JPS	(4r,6r,7s)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
+c1cscc1CC2=C(C(=O)C=C(O2)CO)O	JPT	6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one
+c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H](C3)NC[C@@H]4O	JPV	(2r,5r,6s)-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol
+C1CC(=O)NC(=O)[C@H]1NC(=O)OCC2CCC(CC2)N	JPW	(4-azanylcyclohexyl)methyl ~{n}-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
+CC(=O)NCc1ccc2ccc3cccc4c3c2c1cc4	JPY	n-(pyren-1-ylmethyl)acetamide
+c1ccc2c(c1)C(=O)N=CN2	JPZ	quinazolin-4(1h)-one
+Cc1c(sc-2c1C(=N[C@H](c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C	JQ1	(6s)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
+CCC1=C(C2=CC3=N/C(=C\c4c(c(c([nH]4)/C=C\5/C(=C(C(=O)N5)C)CC)C)CCC(=O)O)/C(=C3CCN2C1=O)CCC(=O)O)C	JQ2	3-[2-[(~{z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CC[C@@H]([C@H]1C2(CCC(N1S(=O)(=O)C)CC2)O)O	JQ4	(1s,3s,4r)-3-[(1s)-1-hydroxypropyl]-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol
+CCOP(=O)(C(=O)CCC(=O)O)O	JQ5	4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid
+c1ccc2c(c1)[C@H](CN(S2(=O)=O)CC(=O)N)O	JQ7	2-[(4r)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1h)-yl]acetamide
+c1ccc(cc1)C#CC(=O)O	JQ8	phenylpropiolic acid
+c1ccc(cc1)CN2[C@@H]3CC[C@@H]4C[C@H]3[C@H](CN4)OC2=O	JQA	(4r,4ar,6r,8ar)-1-benzyloctahydro-2h-6,4-(epiminomethano)-3,1-benzoxazin-2-one
+c1cc(c(nc1)O)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JQB	5-azanyl-3-[1-[(2-oxidanylpyridin-3-yl)methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+COc1ccc2c(c1)OC[C@@H]3[C@H]2N4CCC(=O)N4C3	JQD	(6as,12ar)-3-methoxy-6a,10,11,12a-tetrahydro-6h,7h,9h-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one
+c1cc2c(cc1Cl)c(c(s2)Cl)CC(=O)O	JQE	2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid
+CC(C)CC(=O)Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	JQF	3-methyl-n-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)butanamide
+CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(=O)O)O)NC=O	JQG	(2~{r})-~{n}-[3-[2-[[(2~{s})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide
+Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5(C(=C4)c6ccccc6)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C	JQH	prfmn cofactor and phenylpropiolic acid adduct
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)CCc5ccccc5)(C)C	JQK	[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-[(16~{r})-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-16-(2-phenylethyl)-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]pentyl] dihydrogen phosphate
+Cc1ccc(cc1)SCC(=O)c2ccc3c(c2)CC(=O)N3	JQN	5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one
+Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F)C	JQP	n-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidin-2-amine
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)[C@H](Cc5ccccc5)F)(C)C	JQQ	[(2~{r},3~{s},4~{s})-5-[(16~{s})-16-[(1~{s})-1-fluoranyl-2-phenyl-ethyl]-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C\N)C(=O)O	JQS	5-[(z)-(aminomethylidene)amino]-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid
+Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4Cl)CN5C[C@@H](C[C@H]5C(=O)O)O)OCc6cccc(c6)C#N	JQT	(2~{s},4~{r})-1-[[5-chloranyl-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid
+C[C@@H]1[C@H](C/C=C/c2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C@H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1CC([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC(=O)C)OC(=O)[C@@H](COC)OC)OC)O)S)C)OC)OC	JQV	mycalolide b
+c1cc(c(c2c1c(c[nH]2)c3ccnc(n3)N)Cl)Cl	JQW	4-[6,7-bis(chloranyl)-1~{h}-indol-3-yl]pyrimidin-2-amine
+Cc1ccc(cc1C)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F	JQY	n-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidin-2-amine
+CC1=CC2=[N](C3=C4(C(=C([C@H]5[N]4=C2C(=C1C)C(C5)(C)C)C(=O)O)c6ccccc6)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	JQZ	prfmn cofactor and phenylpropiolic acid
+c1c[nH]c2c1c(nc(n2)N)N3CCCC3	JR2	4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=CC=C(C=C7C(=O)N6CC(=O)Nc8ccc(cc8)S(=O)(=O)N)O)Cl)C	JR3	2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{n}-(4-sulfamoylphenyl)ethanamide
+Cc1cc2c(cc1S(=O)(=O)NCc3ccc(cc3)F)N(C(=O)N2C)C	JR4	~{n}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide
+Cn1c(c2c(n1)CCC2)NC(=O)[C@@H]3CCCN3S(=O)(=O)c4ccc(cc4)F	JR5	(2~{s})-1-(4-fluorophenyl)sulfonyl-~{n}-(2-methyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide
+Cn1c(c2c(n1)CCC2)NC(=O)CSc3ccc(cc3)OC	JR6	2-(4-methoxyphenyl)sulfanyl-~{n}-(2-methyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)ethanamide
+CCC(=O)Nc1nc(cs1)c2ccc(cc2)Cl	JR7	n-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
+CC12C3([Ir]1456(C2(C4(C53C)C)C)[N]7=CC=C(C=C7C(=O)[N]6(CCCc8ccc(cc8)S(=O)(=O)N)Cl)O)C	JR8	4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide
+c1ccc(cc1)CNc2c(nc3n2ccnc3N)Cc4cc5c(cc4Br)OCO5	JR9	n~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine
+Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C=C\3/C(=C(C(=N3)/C=C\4/[C@H]([C@H](C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	JRA	3-[2-[(~{z})-[5-[(~{z})-[(3~{s},4~{r})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+c1ccc(c(c1)N)N2CCNCC2	JRB	2-piperazin-1-yl-aniline
+CCC(=O)N(Cc1cc(no1)C)c2nc(cs2)c3ccccc3	JRD	n-[(3-methyl-1,2-oxazol-5-yl)methyl]-n-(4-phenyl-1,3-thiazol-2-yl)propanamide
+C[C@@H](c1c(cncc1Cl)c2cc3c(nc2)N(CCC3)C(=O)N)O	JRE	6-[5-chloranyl-4-[(1~{s})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{h}-1,8-naphthyridine-1-carboxamide
+CSCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O	JRG	n~2~-{[(1s)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5([C@@H](C4)C)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C	JRH	prfmn cofactor and crotonic acid adduct
+c1c(nnn1CCCCN)CCn2nc3c(n2)c(c(c(c3Br)Br)Br)Br	JRJ	4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine
+Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5(C(=C4C(=O)O)C)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C	JRK	prfmn cofactor and butynoic acid adduct
+CCC(=O)N(CC(=O)OC)c1nc(cs1)c2ccccc2	JRM	methyl n-(4-phenyl-1,3-thiazol-2-yl)-n-propanoylglycinate
+Cc1cc2c3c(c1C)C(C[C@H]([n+]3c4c([n+]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)CCc5c(c(c(c(c5F)F)F)F)F)(C)C	JRN	prfmn cofactor and pentafluorocinnamic acid adduct
+CC1=Cc2cc3c(cc2C(=O)O1)c(cc(c3O)O)O	JRO	6,7,9-trihydroxy-3-methyl-1h-benzo[g]isochromen-1-one
+CCOC(=O)C[C@@H]1C(=O)NCCN1Cc2ccc(cc2)C	JRQ	ethyl 2-[(2~{r})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F	JRR	6-{[(3r,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F	JRS	6-{[(3s,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+c1ccc(cc1)CCNC(=O)Cn2cnc3c2cccc3	JRT	2-(benzimidazol-1-yl)-~{n}-(2-phenylethyl)ethanamide
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	JRV	methyl 6-s-beta-d-glucopyranosyl-6-thio-beta-d-glucopyranoside
+Cc1ccc2c(c1)CN[C@@]3(C[C@]2(N(C3=O)C4CCC4)O)C(C)C	JRW	(1~{s},10~{s})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
+CCCCCCNC(=O)O	JRY	hexylcarbamic acid
+Cc1ccc(c2c1CCC2)OC[C@H]([C@H](C)NC(C)C)O	JRZ	(2s,3s)-1-[(7-methyl-2,3-dihydro-1h-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol
+CCOC(=O)c1c2c(ccc(c2CN(C)C)O)oc1c3ccccc3	JS1	ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
+C1=Nc2c(nc(n2CCCCOP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](O3)O)O)O)N)C(=O)N1	JS2	5-o-[(r)-{[(s)-[4-(8-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-  ribofuranose
+Cc1c(sc(n1)Cl)C(=O)Nc2ccc3ccccc3c2	JS3	2-chloro-4-methyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H](C([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)OCCNCCCN)O)N	JS4	(2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3r,4r,5s)-4-(2-(3-aminopropylamino)ethoxy)-5-((1r,2r,3s,5r,6s)-3,5-diam ino-2-((2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-2-( hydroxymethyl)-tetrahydrofuran-3-yloxy)-tetrahydro-2h-pyran-3,4-diol
+C1CC(CNC1)CNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)N)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N	JS5	(2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3r,4r,5s)-5-((1r,2r,3s,5r,6s)-3,5-diamino-2-((2s,3r,4r,5s,6r)-3-amino-4 ,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-2-(hydroxymethyl)-4-(2-((r)-piperidi n-3-ylmethylamino)ethoxy)-tetrahydrofuran-3-yloxy)-tetrahydro-2h-pyran-3,4-diol
+c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)N)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N	JS6	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-2-o-{2-[(2-phenylethyl)amino]ethyl}-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+COc1c(c(ncn1)NCCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-]	JS7	4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
+CCCCCCCCCCC[C@H](NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	JSA	5'-o-{[(1r)-1-hydroxydodecyl]sulfamoyl}adenosine
+CC(C)[C@]12C[C@](c3ccccc3CN1)(N(C2=O)C4CC4)O	JSB	(1~{s},10~{s})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C	JSC	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
+CC1([C@@H](N[C@H](S1)CNC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C	JSD	[(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
+CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C	JSE	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
+CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)OP(=O)(O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@H](CO)O)O)O)O)O)OP(=O)(O)O)O)O)O)O[C@@]6(C[C@H]([C@H]([C@H](O6)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC	JSG	(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-[(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-5-[(2~{s},3~{s},4~{r},5~{r},6~{r})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-4-[(2~{r},3~{s},4~{r},5~{s},6~{r})-6-[(1~{s})-2-[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-3-oxidanyl-5-[[(3~{r})-3-oxidanyltetradecanoyl]amino]-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5([C@@H](C4)c6ccccc6)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C	JSH	prfmn cofactor and cinnamic acid adduct
+CC1(C=C(C(N1O)(C)C)CSSP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C	JSJ	5'-o-[(s)-hydroxy{[(s)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine
+[H]/N=N/NCCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O	JSK	(2~{s},3~{s},4~{r})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol
+CC1=NC(=O)N[C@@H](C1C(=O)N(C)C)c2ccc(cc2F)F	JSN	(6~{s})-6-[2,4-bis(fluoranyl)phenyl]-~{n},~{n},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{h}-pyrimidine-5-carboxamide
+CN1C=C(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	JSP	(1r)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N	JSQ	2-fluoro-atp
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2OCCNCCc3cccc(c3)F	JSR	6-{[(3r,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F	JSS	6-{[(3s,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C=CCCN=C1NN=C(CS1)c2ccc(cc2)Cl	JST	but-3-enyl-[5-(4-chloro-phenyl)-3,6-dihydro-[1,3,4]thiadiazin-2-ylidene]-amine
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	JSV	methyl 2-s-beta-d-glucopyranosyl-2-thio-beta-d-glucopyranoside
+Cc1nnc(o1)N2CCC(CC2)C(=O)N3[C@@H](CCN3)c4cc(cc(c4)F)F	JSW	[(5~{s})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)O	JSX	3-(4-hydroxyphenyl)benzoic acid
+CCOC(=O)c1c(c2c(o1)cccc2OC[C@H](CNC(C)C)O)C	JSZ	ethyl 4-({(2s)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)-3-methyl-1-benzofuran-2-carboxylate
+COCCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)CCl	JT0	2-chloro-n-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-n-(3-methoxypropyl)acetamide
+c1cc(ccc1C(F)(F)F)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(c(c3)F)OC(F)(F)F)c4nc5c(s4)cnc(n5)C6CC6	JT1	(2r)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-n-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide
+[H]/N=C(\c1cc2c(cc(cc2s1)CS)N[C@@H](C)CN)/N	JT2	4-[[(2~{s})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N(CCO)CC(=O)NO	JT5	n~2~-(biphenyl-4-ylsulfonyl)-n-hydroxy-n~2~-(2-hydroxyethyl)glycinamide
+c1cc(ccc1C#N)c2ccc(cc2)OCCC(=O)NO	JT6	3-[(4'-cyanobiphenyl-4-yl)oxy]-n-hydroxypropanamide
+B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Cl)OC)(O)O	JT7	n-[(1r)-1-borono-3-methylbutyl]-n~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-l-leucinamide
+c1ccc(cc1)C[C@H]2[C@H](CC(=O)N[C@H](C(=O)NCCCCCCCCCCCCCC(=O)N2)Cc3ccccn3)O	JT8	(3~{s},7~{s},8~{s})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione
+c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O	JTA	4-hydroxy-8-nitroquinoline-3-carboxylic acid
+c1cc(c(cc1Cl)c2cn[nH]n2)O	JTB	4-chloranyl-2-(2~{h}-1,2,3-triazol-4-yl)phenol
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC2CC2)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTD	n-[(2s,3s,4r)-1-{[4-o-(cyclopropylmethyl)-alpha-d-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+Cc1cc(cc(c1)c2ccc(cc2F)[C@@H](C)C(=O)O)C	JTE	(2~{r})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid
+CC1=Cc2cccc(c2NC1=O)NCCN(C)C	JTF	8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC=C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTG	n-[(2s,3s,4r)-3,4-dihydroxy-1-{[4-o-(prop-2-en-1-yl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
+CC(C)C1=CC=C(C(=O)C(=C1)O)O	JTH	2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTJ	n-[(2s,3s,4r)-3,4-dihydroxy-1-({4-o-[(4-methylphenyl)methyl]-alpha-d-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide
+C[C@H](c1ccc(c(c1)F)c2cc(cc(c2)Cl)Cl)C(=O)O	JTK	(2~{r})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)Cl)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTM	n-[(2s,3s,4r)-1-({4-o-[(4-chlorophenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl	JTN	1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid
+CC(C)(C(=O)O)NC(=O)c1ccc2c(c1)n3c(c2C4CCCCC4)-c5ccccc5OCC3	JTP	n-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepin-10-yl)carbonyl]-2-methyl-l-alanine
+Cn1cc(c2c1c(c(cc2)Cl)Cl)c3cncnc3N	JTQ	5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine
+Cc1c(scn1)C(=O)Nc2ccc3ccccc3c2	JTS	4-methyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide
+Cc1c(sc(n1)C)C(=O)Nc2ccc3ccccc3c2	JTT	2,4-dimethyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide
+CC[C@@H](C)c1ccc(cc1)c2c(c(c3cc(ccc3n2)Br)C(=O)O)C	JTU	6-bromo-2-{4-[(2r)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccccc2)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTV	n-{(2s,3s,4r)-1-[(4-o-benzyl-alpha-d-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide
+c1ccc(cc1)S(=O)(=O)c2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl	JTW	4-chloranyl-~{n}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide
+c1ccc(cc1)S(=O)(=O)Nc2c(ncs2)C(=O)O	JTY	5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid
+CC(C)NC[C@@H](COc1ccccc1CC=C)O	JTZ	(2s)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C(C)(C)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JU1	n-[(2s,3s,4r)-1-({4-o-[(4-tert-butylphenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+C(#N)c1c2c([nH]c1Br)N=C(NC2=O)N	JU2	2-amino-6-bromo-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(c(c2)Cl)Cl)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JU4	n-[(2s,3s,4r)-1-({4-o-[(3,4-dichlorophenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)c3nc(cs3)CN4CCC[C@@H](C4)CN(CCN(C)C)C(=O)c5ccc6ccccc6c5	JU5	~{n}-[[(3~{s})-1-[[2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]methyl]-~{n}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
+C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	JU7	6-cyclohexylhexyl beta-d-glucopyranoside
+Cn1cc(c2c1cccc2)c3cncnc3N	JU8	5-(1-methylindol-3-yl)pyrimidin-4-amine
+c1ccc(cc1)C[NH+]2CCC[C@@H](C2)CN(CC[NH+]3CCN(CC3)c4ccc(c5c4non5)[N+](=O)O)S(=O)(=O)c6ccc7ccccc7c6	JUB	[7-[4-[2-[naphthalen-2-ylsulfonyl-[[(3~{s})-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]amino]ethyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazol-4-yl]-oxidanyl-oxidanylidene-azanium
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C(F)(F)F)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JUD	n-{(2s,3s,4r)-3,4-dihydroxy-1-[(4-o-{[4-(trifluoromethyl)phenyl]methyl}-alpha-d-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide
+CC(C)c1ccc(cc1)NC(=O)[C@@H](c2ccc(cc2)OC)NC(=O)C3=CCC(=O)N=C3	JUE	~{n}-[(1~{r})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{h}-pyridine-5-carboxamide
+c1cc2c(c(c1)O)C(=O)C=CC2=O	JUG	5-hydroxynaphthalene-1,4-dione
+CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)Cc3ccccc3	JUH	(2~{r})-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide
+c1cc(ncc1c2cc(c(c3c2c4c([nH]3)CCN(C4)C(=O)CO)Cl)Cl)N	JUJ	1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
+c1cc(oc1)C[n+]2c(c(cc3c2N=C4C=CC=CN4C3=O)C(=O)NC[C@@H]5CCCO5)N	JUK	2-amino-1-[(furan-2-yl)methyl]-5-oxo-3-({[(2s)-oxolan-2-yl]methyl}carbamoyl)-5h-dipyrido[1,2-a:2',3'-d]pyrimidin-1-ium
+c1c(c2c3c([nH]c2c(c1Cl)Cl)CCN(C3)C(=O)CO)c4c[nH]nc4	JUM	1-[6,7-dichloro-9-(1h-pyrazol-4-yl)-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
+CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C	JUN	(2~{r})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide
+c1c(c2c([nH]1)nc(nc2N3CCSCC3)N)C#N	JUO	2-amino-4-thiomorpholino-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)c3cc(cnc3N)c4cc(cs4)CN(C)C	JUP	4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide
+COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5	JUQ	(1~{s},2~{s})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N	JUS	2-(2-cyanophenoxy)-5-hexylphenol
+c1cc(c(cc1c2csc(n2)N)F)F	JUT	4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine
+c1cc(ccc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(cc2)O)O	JUV	(2r)-3-(4-hydroxyphenyl)-2-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
+Cn1cc(c2c1cccc2)c3ccnc(n3)N	JUW	4-(1-methylindol-3-yl)pyrimidin-2-amine
+c1ccc2c(c1)nc(s2)C(=O)N[C@@H](CCNC(=O)CCCCc3ccc4cccnc4n3)C(=O)O	JUY	(2s)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid
+CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)[C@@H]5C[C@H](N4)[C@@H](CO5)O	JUZ	1-[2-[(2~{r})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{s},9~{s},10~{s})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea
+CCc1ccc(cc1)n2c(c(cc2c3ccc(cc3)SC)CN4CCSCC4)C	JV0	4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine
+c1cc(cc(c1)[N+](=O)[O-])C(=O)/C=C/c2ccc3c(c2)OCO3	JV1	(~{e})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one
+CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)[C@H]5C[C@@H](N4)[C@@H](CO5)O	JV2	1-(((2r,3s,6r)-3-hydroxy-2,3,4,6-tetrahydro-1h-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((r)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)F	JV4	6-deoxy-6-fluoro-1-o-phosphono-alpha-d-glucopyranose
+Cc1ccccc1OCC(=O)Nc2ccc3c(c2)nn[nH]3	JV5	~{n}-(1~{h}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide
+Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2	JV8	~{n}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CP(=O)(O)O)F)O)O)O	JVA	2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-d-glycero-d-manno-heptitol
+Cc1ccccc1OCC(=O)Nc2cccnc2	JVB	2-(2-methylphenoxy)-~{n}-pyridin-3-yl-ethanamide
+C[C@H](C(C)C)NC(=O)c1ccc2c(c1)[nH]nn2	JVD	n-[(2r)-3-methylbutan-2-yl]-1h-benzotriazole-6-carboxamide
+c1ccc(c(c1)[C@H]2c3c[nH]nc3NC4=C2C(=O)CNC4)F	JVE	(4s)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5h-pyrazolo[3,4-b][1,7]naphthyridin-5-one
+c1cc2c(cc1CNC(=O)CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@H]4C3=O)[C@H]6C[C@@H](N2)[C@@H](CO6)O	JVH	 2-(exo-3,5-dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-n-((1r,9r,10s)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide
+c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5ccoc5	JVJ	1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine
+CC(C)[C@@H](C(=O)O)NC(=O)CSc1ccc(cc1)Cl	JVK	(2~{s})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid
+c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5c[nH]nc5	JVM	1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1h-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine
+c1cc2c(cc1F)[C@H]3C[C@@H](N2)[C@@H](CO3)O	JVN	(1~{r},9~{r},10~{s})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol
+c1cc(ccc1c2c(c(n(n2)[C@@H]3CCCN(C3)C#N)N)C(=O)N)Oc4ccc(cc4F)F	JVP	5-amino-1-[(3r)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazole-4-carboxamide
+CCN1Cc2cc3c(cc2NCCC1=O)OCO3	JVQ	14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(CF)OP(=O)(O)O)O)O)O)O	JVS	1-deoxy-1-fluoro-2-o-phosphono-alpha-d-gluco-hept-2-ulopyranose
+CN1CCN(CC1)c2ccc(cc2)NC(=O)c3c4ccccc4[nH]n3	JVT	n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-3-carboxamide
+Cc1c(c(on1)C)c2cc3c(cccn3)c(c2)S(=O)(=O)NC4CCCC4	JVY	n-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
+c1ccc2c(c1)ncn2C[C@@H](COc3ccc4c(c3)CCC4)O	JVZ	(2~{s})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{h}-inden-5-yloxy)propan-2-ol
+B(c1cccc(c1)NC(=O)OC(C)(C)C)(O)O	JW1	{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid
+c1ccnc(c1)CNC(=O)C(=O)NC2CCCC2	JW2	~{n}'-cyclopentyl-~{n}-(pyridin-2-ylmethyl)ethanediamide
+B(c1cccc(c1)C(=O)NCc2ccco2)(O)O	JW3	(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid
+Cc1ccc2c(c1c3cc(cc4c3nc([nH]4)C5CC5)c6c(noc6C)C)cccn2	JW4	4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1h-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO	JW5	6-(hydroxymethyl)uridine 5'-(dihydrogen phosphate)
+c1ccc(cc1)N2C(=O)C=C(C(=N2)c3[nH]cnn3)NC4CCCCC4	JW7	5-(cyclohexylamino)-2-phenyl-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone
+B(c1ccc(cc1)S(=O)(=O)N2CCC2)(O)O	JW8	{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid
+C[C@H](c1cccc2c1cccc2)N(C)Cc3ccc(cc3)O	JW9	4-({methyl[(1r)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol
+Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3CNC(=O)C)C	JWA	n-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide
+C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CC(=O)O	JWB	2-[(1~{r},2~{r},6~{s},7~{s})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid
+Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C	JWD	5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline
+c1cc(nc2c1c(cnc2N)Br)c3ccnc(c3)F	JWE	5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine
+CN1CCN(CC1)c2ccc(cc2)NC3=CC(=O)N(N=C3c4[nH]ncn4)c5ccc(cc5)Cl	JWF	5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone
+CCCCCCCC(=O)Nc1ccccc1C(=O)O	JWH	2-(octanoylamino)benzoic acid
+CC(C)(c1cnc(c2c1ccc(n2)c3ccnc(c3)F)N)O	JWK	2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol
+CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)C	JWM	n-[(2r)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide
+CC(C)(c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4ccncc4)C(=O)N5CCN(CC5)C	JWN	4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{n}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide
+CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)CC2COC2	JWP	n-[(2s)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide
+COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)C(F)(F)F	JWQ	(~{e})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{n}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
+COc1ccc(c(c1)c2nc(nc(n2)N)N)O	JWS	2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccc(cc3)F	JWT	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-fluoro-n-methylbenzenesulfonamide
+COC1(CS(=O)(=O)C1)[C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#CCCO	JWV	n-[(1s)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide
+CCCCCCCc1c(c(c2ccccc2n1)O)O	JWW	2-heptylquinoline-3,4-diol
+C[C@H](c1cccc2c1cccc2)N(C)Cc3c[nH]c4c3cccc4	JWX	(1r)-n-[(1h-indol-3-yl)methyl]-n-methyl-1-(naphthalen-1-yl)ethan-1-amine
+CCN1c2cc(ncc2C=C(C1=O)c3cc(c(cc3Cl)F)NC(=O)Nc4ccccc4)NC	JWY	n-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-n'-phenylurea
+[H]/N=C(/N)\N1CCC(CC1)(CN(C)CCCN2CN(C3(C2=O)CCN(CC3)CC[C@@H]4CC[C@H]5C[C@@H]4C5(C)C)c6ccccc6)O	JWZ	4-(((3-(8-(2-((1r,2s,5r)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide
+Cc1ccc(c2c1nccc2)c3cc(c(cc3O)O)c4c(c(on4)NC(=O)C)c5ccc(cc5)OC	JX1	n-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide
+COc1ccc(cc1C#CC(=O)NCc2ccco2)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5	JX2	3-[5-[(4~{a}~{r},8~{a}~{s})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(furan-2-ylmethyl)prop-2-ynamide
+Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc(n4)N[C@@H]5CCNC5	JX4	6-[7-methoxy-6-(1-methyl-1h-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-n-[(3r)-pyrrolidin-3-yl]pyridin-2-amine
+c1cc(ccc1C(=O)NCCCC(=O)N[C@H](CNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)I	JX5	(2~{s})-2-[[(2~{r})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid
+[H]/N=C(/N)\NCCCC(=O)C(=O)O	JX7	5-carbamimidamido-2-oxopentanoic acid
+c1cc2c(ccc(c2nc1)O)c3[nH]nnn3	JX8	5-(1~{h}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol
+c1c(cc(cc1Cl)Cl)c2cn(nn2)C[C@@H]3[C@@H]([C@@H](CN3)O)O	JXA	(2r,3s,4r)-2-{[4-(3,5-dichlorophenyl)-1h-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol
+c1nc(c2c(n1)n(c(n2)Br)CCCCN=[N+]=[N-])N	JXB	9-(4-azidobutyl)-8-bromanyl-purin-6-amine
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)NC(=O)C)/C)/C)/C)/C)/C)C	JXD	2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-beta-d-mannopyranosyl]-2-deoxy-1-o-[(s)-{[(r)-{[(2z,6z,10z,14e,18e)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose
+c1nc(c2c(n1)n(c(n2)Br)CCCCBr)N	JXE	8-bromanyl-9-(4-bromanylbutyl)purin-6-amine
+CC1=C[C@H](CN([C@@H]1C(=O)N)C=O)NOS(=O)(=O)O	JXG	(2s,5r)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3CCCCO3)N	JXH	8-bromanyl-9-[(2~{r})-oxan-2-yl]purin-6-amine
+c1nc(c2c(n1)n(c(n2)Br)CCCN)N	JXK	9-(3-azanylpropyl)-8-bromanyl-purin-6-amine
+c1ccc(cc1)[C@H](CN2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F)O	JXM	(8s)-9-[(2r)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one
+CCn1c2c(c(ncn2)N)nc1Br	JXN	8-bromanyl-9-ethyl-purin-6-amine
+c1cc(cc(c1)F)c2ccc(c(c2)COc3cc(nc4c3[nH]nn4)N)Cl	JXP	7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+C#CCCCCn1cnc2c1ncnc2N	JXQ	9-hex-5-ynylpurin-6-amine
+Cn1ccc(n1)c2cccc(c2)COc3cc(nc4c3[nH]nn4)N	JXS	7-{[3-(1-methyl-1h-pyrazol-3-yl)phenyl]methoxy}-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+C#CCCCn1c2c(c(ncn2)N)nc1Br	JXT	8-bromanyl-9-pent-4-ynyl-purin-6-amine
+c1ccc(cc1)[C@H](CNc2cc(ncn2)c3ccc4c(c3)OCCO4)O	JXV	(1r)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol
+Cc1nc2c(ncnc2n1CCCl)N	JXW	9-(2-chloroethyl)-8-methyl-purin-6-amine
+Cc1nc2c(ncnc2n1CCO)N	JXZ	2-(6-azanyl-8-methyl-purin-9-yl)ethanol
+C[C@H](Cc1cccc(c1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](CCC4=C)O)C	JY	3-(2-{4-[2-(5-hydroxy-2-methylene-cyclohexylidene)-ethylidene]-7a-methyl-octahydro-inden-1-yl}-propyl)-phenol
+CC[P](C)(CC)[Rh]([P](C)(CC)CC)([P](CC)(CC)CNCC(=O)NCCN1C(=O)CCC1=O)[P](CC)(CC)CNCC(=O)NCCN2C(=O)CCC2=O	JY1	bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium
+Cc1nc2c(ncnc2n1CCCC#C)N	JY2	8-methyl-9-pent-4-ynyl-purin-6-amine
+Cc1c2c3cc(c(cc3nnc2n[nH]1)OC)OC	JY4	7,8-dimethoxy-1-methyl-2h-pyrazolo[3,4-c]cinnoline
+c1nc(c2c(n1)n(c(n2)C#CCO)[C@H]3CCCCO3)N	JY5	3-[6-azanyl-9-[(2~{r})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol
+Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F	JY7	8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3h-pyrazolo[3,4-c]cinnoline
+CCn1c(nc2c1ncnc2N)C	JY8	9-ethyl-8-methyl-purin-6-amine
+CCn1c(nc2c1ncnc2N)C#C	JYB	9-ethyl-8-ethynyl-purin-6-amine
+C([C@@H](C(=O)O)S)C(=O)O	JYD	(2s)-2-sulfanylbutanedioic acid
+c1nc(c2c(n1)n(c(n2)Br)CCCN=[N+]=[N-])N	JYE	9-(3-azidopropyl)-8-bromanyl-purin-6-amine
+C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C5(CC5)C)NC6(CC6)C)C(=O)N1	JYG	3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6r)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3h)-one
+c1ccc(cc1)c2cccc3c2cc(cc3)C(=O)Nc4ccc(cc4)C(=O)O	JYH	4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid
+CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3Cl)C(=O)O)c4ccccc4)C	JYI	3-chloro-4-[(e)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid
+c1cc(cc(c1)Cl)C2(CC2)C(=O)N3CCN(CC3)C(=O)c4ccsc4	JYJ	{4-[1-(3-chlorophenyl)cyclopropane-1-carbonyl]piperazin-1-yl}(thiophen-3-yl)methanone
+c1nc(c2c(n1)n(c(n2)Br)CCN=[N+]=[N-])N	JYK	9-(2-azidoethyl)-8-bromanyl-purin-6-amine
+C1CCC(CC1)COc2c3c([nH]c(n3)C(F)(F)F)nc(n2)N	JYM	6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9h-purin-2-amine
+c1nc(c2c(n1)n(cn2)CCCCN=[N+]=[N-])N	JYN	9-(4-azidobutyl)purin-6-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O[C@@H]4[C@H]([C@H]([C@H]([C@@H](O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N	JYP	adenophostin a
+CC(=O)SCCCCn1cnc2c1ncnc2N	JYQ	~{s}-[4-(6-aminopurin-9-yl)butyl] ethanethioate
+c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C(=O)c3c[nH]c4c3c(ccc4F)Br	JYS	1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1h-indol-3-yl)ethane-1,2-dione
+c1nc(c2c(n1)n(c(n2)Br)CCCO)N	JYT	3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol
+CN(C)CCCN(C)Cc1nc(cs1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCC(CC4)[C@@H](C#N)c5ccccc5)c(cn2)OC	JYV	(2r)-{1-[{7-[2-({[3-(dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1h-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]piperidin-4-yl}(phenyl)acetonitrile
+c1nc(c2c(n1)n(c(n2)Br)CCCCO)N	JYW	4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol
+COc1cnc(c2c1c(c[nH]2)C(=O)C(=O)N3CCC(CC3)C(C#N)c4ccccc4)c5csc(n5)C(=O)NCCO	JYY	4-{3-[{4-[(r)-cyano(phenyl)methyl]piperidin-1-yl}(oxo)acetyl]-4-methoxy-1h-pyrrolo[2,3-c]pyridin-7-yl}-n-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide
+COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2ccccc2O	JYZ	(~{e})-2-cyano-~{n}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
+Cc1ccccc1O	JZ0	o-cresol
+CCc1ccccc1O	JZ1	2-ethylphenol
+Cc1ccc(cc1O)Cl	JZ2	5-chloro-2-methylphenol
+COc1ccccc1O	JZ3	guaiacol
+CCCc1ccccc1O	JZ4	2-propylphenol
+c1cc(sc1)/C=N\O	JZ5	(nz)-n-(thiophen-2-ylmethylidene)hydroxylamine
+c1c(cn[nH]1)Cl	JZ6	4-chloro-1h-pyrazole
+CCO[C@@H]1CCC=CO1	JZ7	(2s)-2-ethoxy-3,4-dihydro-2h-pyran
+Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3	JZ8	5-methyl-7-(naphthalen-2-ylamino)-1h-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium
+c1c[nH]c2c1CCCC2	JZ9	4,5,6,7-tetrahydro-1h-indole
+C1COCCN1C(=O)N2CCS2(=O)=O	JZA	4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine
+c1c(c2c(c(c1O)Cl)C/C(=N\OCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O	JZB	(5e,9e,11e)-13-chloro-14,16-dihydroxy-3,4,7,8-tetrahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione 11-[o-(2-oxo-2-piperidin-1-ylethyl)oxime]
+c1c(cc(c2c1C/C(=N\OCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O)O	JZC	(5e,9e,11e)-14,16-dihydroxy-3,4,7,8-tetrahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione 11-[o-(2-oxo-2-piperidin-1-ylethyl)oxime]
+c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl	JZD	2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid
+c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl	JZE	2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid
+CCOC(=O)CN1C(=O)CC(CC1=O)C[C@H]([C@@H]2C[C@H](C[C@@H](C2=O)C)C)O	JZF	ethyl (4-{(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate
+Cn1c2cc(c(cc2c(c1c3ccccc3)c4cn(nn4)CCC(=O)Nc5ccc(cc5)c6ccccc6)C(=O)O)O	JZG	3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1h-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1h-indole-5-carboxylic acid
+c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)[C@@H](C(=O)N2)c5ccc(cc5)O	JZH	(3s)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3h)-one
+c1ccc(cc1)/C=C/C[C@H](C(=O)O)NC(=O)c2ccc3ccccc3c2	JZI	(2r,4e)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid
+c1ccc2c(c1)C[C@H](NC2)c3[nH]cc(n3)c4ccc(cc4)Br	JZJ	(3s)-3-[4-(4-bromophenyl)-1h-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline
+c1ccc(c(c1)CNc2nc3cc(ccc3n2CC4CCCCC4)C(=O)N)Cl	JZK	2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1h-benzimidazole-5-carboxamide
+c1ccc(c(c1)CNc2nc3cc(cc(c3n2C[C@@H]4CCCCC[C@@H]4O)N)C(=O)N)Cl	JZL	7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1s,2s)-2-hydroxycycloheptyl]methyl}-1h-benzimidazole-5-carboxamide
+c1cc2c(c(c1)Sc3ccc(cc3)Cl)c(nc(n2)N)N	JZM	5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine
+Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N4CCC[C@@H]4C(=O)N)NC[C@](CC(C)(C)c5cc(ccc5OC)F)(C(F)(F)F)O	JZN	1-{[3-(4-{[(2r)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1h-indazol-1-yl)phenyl]carbonyl}-d-prolinamide
+CN1C(=C(C(=O)N1C)c2cccc(c2)COC)c3ccc4c(c3)nccn4	JZO	4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3h-pyrazol-3-one
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3Cl)Cl)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	JZP	(4r)-3-[(2s,3s)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3F)F)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	JZQ	(4r)-3-[(2s,3s)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	JZR	hexyl beta-d-glucopyranoside
+Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N[C@H](C)C(=O)N)NCC(C(F)(F)F)(C(F)(F)F)O	JZS	n-[(1r)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1h-indazol-1-yl)benzamide
+CC1(CC(=O)N(C(=O)C1)C[C@H](C(C)(C)C)NC(=O)N[C@H]2CCCCCCCCC[C@H](NC(=O)[C@@H]3[C@@H]4[C@@H](C4(C)C)CN3C2=O)[C@H](C(=O)NCC=C)O)C	JZT	(2r)-2-{(3s,13s,16as,17ar,17bs)-13-[({(1s)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2h-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-n-prop-2-en-1-ylethanamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)N)O)O)N	JZU	5'-deoxy-5'-(sulfamoylamino)adenosine
+C/C(=N/OCc1ccccc1/C(=N\OC)/C(=O)OC)/c2cccc(c2)C(F)(F)F	JZV	methyl (2e)-(methoxyimino)(2-{[({(1z)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)ethanoate
+CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc(c4)CO)N5CCOCC5	JZW	[3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol
+CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4ccc(nc4)N)N5CCOCC5	JZX	5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine
+Cc1c(cnc(n1)N)c2nc3cc(sc3c(n2)N4CCOCC4)CN5CCN(CC5)S(=O)(=O)C	JZY	4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
+CC(C)(C)C#Cc1ccc2cccc(c2c1)N3C(=NN(C3=O)C)OC	JZZ	4-[7-(3,3-dimethylbut-1-yn-1-yl)naphthalen-1-yl]-5-methoxy-2-methyl-2,4-dihydro-3h-1,2,4-triazol-3-one
+[K+]	K	potassium ion
+C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)F)O)O)O)O)O	K00	(2r,3r,4r,5r,6s)-3-fluoro-4,5-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
+CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCCC2	K01	n,n-diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CC[C@H](C2)C	K02	(5r)-n,n-diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCC(C2)(C)C	K03	n,n-diethyl-5,5-dimethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+C[C@H]1CCO[C@@H]1C(=O)Nc2cnns2	K04	(2s,3s)-3-methyl-n-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name)
+COc1ccc2ccccc2c1\C=N\NC(=O)c3ccc(c(c3)O)O	K05	(e)-3,4-dihydroxy-n'-[(2-methoxynaphthalen-1-yl)methylene]benzohydrazide
+CN(C[C@H]1CCOC1)c2c(cncn2)Cl	K07	5-chloro-n-methyl-n-{[(3r)-oxolan-3-yl]methyl}pyrimidin-4-amine
+CC\1=C(c2ccccc2/C1=C\c3ccc(cc3)C(C)C)CCc4[nH]nnn4	K08	5-(2-{(1z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1h-inden-3-yl}ethyl)-1h-tetrazole
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)C(C)C)F)CCc4[nH]nnn4	K09	5-(2-{(1z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1h-inden-3-yl}ethyl)-1h-tetrazole
+Cc1c(nc(s1)C)C(=O)N2CCCC2	K0A	(2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone
+c1ccc2cc(ccc2c1)n3cnc4c3nc(nc4NCc5[nH]c6ccc(c(c6n5)F)F)N7CCOCC7	K0B	~{n}-[[4,5-bis(fluoranyl)-1~{h}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine
+C[C@@H]1CN([C@H](CO1)C)C(=O)c2cnsn2	K0D	[(2r,5s)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone
+c1cc(cc(c1)F)n2cnc3c2nc(nc3NCc4[nH]c5c(n4)ccc(c5F)F)N6CCOCC6	K0E	~{n}-[[6,7-bis(fluoranyl)-1~{h}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine
+c1ccc(cc1)NC(=O)Nc2cccnc2	K0G	n-phenyl-n'-pyridin-3-ylurea
+CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(=O)OC)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4	K0H	methyl 2-[(3~{a}~{r},6~{r},8~{a}~{s})-1-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{h}-pyrrolo[2,3-c]azepin-7-yl]ethanoate
+c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O	K0I	3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid
+CCNC(=O)c1c[nH]nn1	K0J	n-ethyl-1h-1,2,3-triazole-4-carboxamide
+CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(=O)O)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4	K0K	2-[(3~{a}~{r},6~{r},8~{a}~{s})-1-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{h}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid
+Cc1cc(cc(c1OCC(=O)O)C)N	K0L	(4-amino-2,6-dimethylphenoxy)acetic acid
+Cc1cc(on1)C(=O)Nc2ccn(n2)C	K0M	3-methyl-n-(1-methyl-1h-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
+CC(C)(C)c1nnc(s1)NC(=O)/C(=C/c2ccc(c(c2)OC)O)/C#N	K0N	(~{e})-~{n}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
+CCn1cc(cn1)CNC(=O)c2cccnc2	K0P	n-[(1-ethyl-1h-pyrazol-4-yl)methyl]pyridine-3-carboxamide
+c1ccc2c(c1)c(c[nH]2)CCNC(=O)CN3C=CC=C(C3=O)O	K0Q	~{n}-[2-(1~{h}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide
+CCCc1nnc(s1)NC(=O)c2ccccn2	K0S	n-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c3cccc4c3cccc4N(C)C	K0T	(2~{s})-5-carbamimidamido-2-[[(2~{s})-2-[[(2~{s})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid
+CC(C)(C)NC(=O)N1CCC(CC1)C(=O)OC	K0V	methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate
+[C@@H]1([C@@H]([C@H]([C@@H]([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	K0W	[(1~{s},2~{r},3~{r},4~{s},5~{s},6~{r})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate
+c1cc(ccc1CNC(=O)c2cnc3nc2NCCCC[C@@H](C(=O)NCCCCCCN3)N)F	K0X	(7s)-7-amino-n-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide
+Cc1cc(no1)C(=O)NCC(=O)OC	K0Y	methyl n-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
+COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)Br	K0Z	(~{e})-~{n}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
+Cc1ccc(c(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N)C	K10	1-tert-butyl-3-(2,5-dimethylbenzyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5[nH]c6cc(ccc6n5)C(F)(F)F	K11	n-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1h-benzimidazol-2-amine
+C(CCCCCCOP(=O)(O)O)CCCCCO	K12	12-hydroxydodecyl dihydrogen phosphate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	K13	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{[(4-aminophenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	K14	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}propyl]carbamate
+CCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	K15	5'-{[(3s)-3-amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine
+c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br	K17	4,5,6,7-tetrabromo-benzimidazole
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5	K19	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate
+Cc1c(c(on1)C)CN2C(=O)SC(=N2)C	K1A	3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3h)-one
+c1cc(c(cc1/C=C(\C#N)/C(=O)Nc2nnc(s2)Br)[N+](=O)[O-])O	K1B	(~{e})-~{n}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide
+c1[nH]c2c(n1)c(ncn2)N3CCC3	K1D	6-(azetidin-1-yl)-9h-purine
+Cn1cc(cn1)Nc2nc3ccc(nc3c(n2)NC4CCC(CC4)N5CCN(CC5)C(=O)OC)CC#N	K1E	methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate
+CC(C)N(C)c1c2cnn(c2ncn1)C	K1G	n,1-dimethyl-n-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+COC(=O)N1CCN(CC1)C2CCC(CC2)Nc3c4cc(ccc4ncn3)C#N	K1H	methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate
+Cc1nc(sn1)N2CCO[C@H]([C@H]2C)C	K1J	(2s,3r)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6	K1N	(3~{s},7~{r},10~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+Cc1nc(sn1)N2CCCNCC2	K1P	1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCCc4ccccc4F)OC	K1Q	3-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide
+C(C[S@@](=O)NSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	K1R	(2s)-2-amino-4-[({[(2r)-2-amino-2-carboxyethyl]thio}amino)sulfinyl]butanoic acid
+CCN(CC)c1cc(nc2n1ncn2)C	K1S	n,n-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCN	K1T	5-[(2s)-2-{[(4-aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid
+c1ccc(cc1)C[C@H](CC(=O)O)C(=O)SCC(=O)c2ccccc2	K1U	(3r)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid
+CC(=O)N1CCC[C@H](C1)C(=O)N	K1V	(3r)-1-acetylpiperidine-3-carboxamide
+c1ccc(cc1)C[C@@H]2CNCCN2C(=O)c3ccc(cc3)S(=O)(=O)N	K1W	4-[(2~{r})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
+Cc1nc(c(s1)NC(=O)OC)c2ccccc2	K1Y	methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)OP(=O)(O)O)N)O)O)N	K1Z	[(2~{r},3~{r},4~{r},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	K20	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate
+COc1ccc2c(c1)CN(CCS2)C(=O)CCN3CCC(CC3)Cc4ccccc4	K21	4-[3-{1-(4-benzyl)piperodinyl}propionyl]-7-methoxy-2,3,4,5-tertrahydro-1,4-benzothiazepine
+c12c(c(c(c(c1Br)Br)Br)Br)NC(=S)N2	K22	4,5,6,7-tetrabromo-1h,3h-benzimidazol-2-thione
+c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)O)Cl	K23	6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-1h-indole-2-carboxylic acid
+Cc1ncc(s1)C(=O)NC	K24	n,2-dimethyl-1,3-thiazole-5-carboxamide
+CN(C)c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br	K25	4,5,6,7-tetrabromo-n,n-dimethyl-1h-benzimidazol-2-amine
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)P(=O)(O)O)NC(=O)C	K26	n-acetyl-l-ile-l-tyr-(r)-1-amino-2-(4-hydroxyphenyl)ethylphosphonic acid
+c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C(=O)N	K27	4-carbamoyl-1-(3-{4-[(e)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium
+CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	K28	[(2~{r},3~{r},4~{r},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
+c1ccc2c(c1)cc(cn2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O	K29	(3~{r})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	K2A	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2s)-2-methylbutyl]amino)propyl]carbamate
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	K2B	(8alpha,9beta)-cholest-4-en-3-one
+c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4	K2C	6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	K2D	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	K2E	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate
+CC(C)c1ncc(c(n1)C(=O)N)Cl	K2G	5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide
+CN(CC#Cc1[nH]c2c(n1)c(ncn2)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	K2H	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-(6-azanyl-9~{h}-purin-8-yl)prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol
+CNc1nccc(n1)OC	K2J	4-methoxy-n-methylpyrimidin-2-amine
+c1nc(c2c(n1)[nH]c(n2)C#CCCNC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N	K2K	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{h}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)N	K2M	4-(furan-2-carbonyl)piperazine-1-carboxamide
+CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@@H](N2)C)c3ccccc3	K2N	ethyl [(2s)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
+c1ccc(c(c1)C(=O)O)OC(F)(F)F	K2P	2-(trifluoromethoxy)benzoic acid
+C1C=C[C@]2(C=C(C[C@H]([C@@H]2O)O1)C(=O)O)O	K2Q	(1r,6r,10s)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(z),7-diene-8-carboxylic acid
+c1cc(cc(c1)c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)CCC(=O)O	K2R	3-[3-[9-[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid
+Cc1c(c(n[nH]1)C)S(=O)(=O)N(C)C	K2S	n,n,3,5-tetramethyl-1h-pyrazole-4-sulfonamide
+Cc1ccc2c(c1)sc(n2)N	K2T	6-methyl-1,3-benzothiazol-2-amine
+c1ccc(cc1)C[C@H](CC(=O)O)[C@H](O)SCc2ccccc2	K2U	(3~{r},4~{r})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid
+C[C@H](c1ccc(cc1)c2cncnc2)N	K2V	(1r)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N	K2W	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol
+c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	K2Y	(2,4,5-triphosphonooxyphenyl) dihydrogen phosphate
+CC[C@@H]([C@@H](C(=O)NCCCN1CCN(CC1)C)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	K2Z	benzyl [(1s)-1-{[(1s,2s)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate
+C[N@]1CC[C@@H]([C@@H](C1)F)N(C)C(=O)N2CC(=C[C@@]2(CO)c3ccccc3)c4cc(ccc4F)F	K30	(2s)-4-(2,5-difluorophenyl)-n-[(3r,4s)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-n-methyl-2-phenyl-2,5-dihydro-1h-pyrrole-1-carboxamide
+Cc1c(c(n[nH]1)C)c2ccccc2N	K31	2-(3,5-dimethyl-1h-pyrazol-4-yl)aniline
+c12c(c(c(c(c1Br)Br)Br)Br)NC(=O)N2	K32	4,5,6,7-tetrabromo-1h,3h-benzimidazol-2-one
+CCCCCCCCCCCCCC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@H]1OC[C@@H]2[C@@H](CC[C@@H](O2)OP(=O)(O)O)O)CO)OP(=O)(O)O)O	K33	2,3-dideoxy-6-o-[2-deoxy-4-o-phosphono-2-(tetradecanoylamino)-alpha-l-gulopyranosyl]-1-o-phosphono-beta-d-threo-hexopyranose
+c1csc(n1)c2[nH]ncn2	K34	5-(1,3-thiazol-2-yl)-1h-1,2,4-triazole
+CCCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO	K35	~{n}-[(1~{r},2~{r},3~{r},4~{s},5~{s},6~{s})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCc2ccccc2	K36	(1s,2s)-2-({n-[(benzyloxy)carbonyl]-l-leucyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CSc1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br	K37	4,5,6,7-tetrabromo-2-(methylsulfanyl)-1h-benzimidazole
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N	K38	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynylamino]methyl]oxolane-3,4-diol
+Cc1cc(n[nH]1)NC(=O)C	K3A	n-(5-methyl-1h-pyrazol-3-yl)acetamide
+c1nc(c2c(n1)[nH]c(n2)C#CCOC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N	K3B	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[3-(6-azanyl-9~{h}-purin-8-yl)prop-2-ynoxymethyl]oxolane-3,4-diol
+CCNC(=O)N1CCN(CC1)C(=O)C	K3D	4-acetyl-n-ethylpiperazine-1-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CN)O)O)N)O)O)N	K3E	(2~{r},3~{s},4~{r},5~{r})-2-(aminomethyl)-5-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol
+O=[Mo]123O[Mo]45(=O)O[Mo]6(=O)(O1)O[Mo]78(=O)O[Mo]91(=O)(O6)O[P+]6%10O[Mo]%11%12(=O)(O2)O[Mo](=O)(O3)(O9)O[Mo]2(=O)(O1)O[Mo]1(=O)(O%11)O[Mo](=O)(O4)(O%12)O[Mo](=O)(O6)(O5)(O7)O[Mo](=O)(O%10)(O2)(O1)O8	K3G	phosphomolybdate keggin
+CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	K3H	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol
+CCNc1ccc(nn1)C	K3J	n-ethyl-6-methylpyridazin-3-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N	K3K	(2~{r},3~{r},4~{s},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
+Cc1ccc(c(c1)F)C(=O)N	K3M	2-fluoro-4-methylbenzamide
+CCCCNC(=O)C#Cc1cc(ccc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CCCC3)C4CCCCCC4	K3N	3-[5-[(4~{a}~{r},8~{a}~{s})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-butyl-prop-2-ynamide
+Cn1cc(cn1)Oc2c(cncn2)Cl	K3P	5-chloro-4-[(1-methyl-1h-pyrazol-4-yl)oxy]pyrimidine
+COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O	K3Q	3,6-o-dimethyl-d-glucose
+CCNCc1cn(nn1)C	K3S	n-[(1-methyl-1h-1,2,3-triazol-4-yl)methyl]ethanamine
+c1cc2c(cc1F)sc(c2Cl)C(=O)NC3=NCCS3	K3T	3-chloranyl-~{n}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide
+c1ccc(cc1)C[C@H](CC(F)(F)F)C(=O)SCC(=O)c2ccccc2	K3U	s-(2-oxo-2-phenylethyl) (2r)-2-benzyl-4,4,4-trifluorobutanethioate
+COc1ccc2c(c1OC)C(=O)NN=C2	K3V	7,8-dimethoxyphthalazin-1(2h)-one
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)Nc4cccc(c4)OC)OC	K3W	3-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(3-methoxyphenyl)prop-2-ynamide
+Cn1cc(c(n1)[C@@H]2CCCNC2)C(=O)N	K3Y	1-methyl-3-[(3r)-piperidin-3-yl]-1h-pyrazole-4-carboxamide
+COc1ccc(cc1)/C=C/C(=O)O	K3Z	(e)-3-(4-methoxyphenyl)acrylic acid
+CC(C)C(=O)Nc1nnn(n1)C	K41	2-methyl-n-(2-methyl-2h-tetrazol-5-yl)propanamide
+c1cc(ccc1O)OCCN	K42	4-(2-azanylethoxy)phenol
+C[N@@]1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br	K44	5,6,7,8-tetrabromo-1-methyl-2,3-dihydro-1h-imidazo[1,2-a]benzimidazole
+CN1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N	K45	4-[(3~{s})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
+CCn1c(c(cn1)c2nc3c(n2C)ncnc3O[C@H]4CCN(C4)C(=O)C5CCOCC5)C	K47	[(3s)-3-{[8-(1-ethyl-5-methyl-1h-pyrazol-4-yl)-9-methyl-9h-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone
+[H]/N=C(\c1cc(c(s1)N)c2ccccc2)/N	K48	5-azanyl-4-phenyl-thiophene-2-carboximidamide
+CCn1c(c(cn1)c2nc3c(n2C)ncnc3N4CCC(CC4)N5c6cccnc6NC5=O)C	K4A	1-{1-[8-(1-ethyl-5-methyl-1h-pyrazol-4-yl)-9-methyl-9h-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one
+c1ccc(cc1)CN2CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N	K4B	4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide
+c1cc(c(cc1OCC(F)(F)F)C(=O)NC[C@H]2CCCCN2)OCC(F)(F)F	K4D	flecainide
+COc1ccc(cc1NCC(=O)NC2CCC(CC2)N3c4ccccc4NC3=O)Cl	K4E	n~2~-(5-chloro-2-methoxyphenyl)-n-[trans-4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)cyclohexyl]glycinamide
+CC1([C@@H](N(C(=O)O1)c2ccc(cc2)C(=O)Nc3cccc4c3nccc4)c5ccccc5)C	K4F	4-[(4s)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-n-(quinolin-8-yl)benzamide
+CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O	K4G	3-oxo-n-[(3s)-2-oxooxolan-3-yl]tetradecanamide
+c1ccc(cc1)CN2CCCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N	K4H	4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide
+B(c1ccc(cc1F)[C@H]2COC(=O)N2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O	K4J	(4-{(4s)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid
+c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCCc3cccs3)O	K4K	(3~{s})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{n}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
+B(c1ccc(cc1F)c2ncnn2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O	K4M	(4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1h-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid
+c1cc(ccc1O)S(=O)(=O)N	K4N	4-oxidanylbenzenesulfonamide
+B1(c2c(cc(cc2Cl)N(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O	K4P	6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide
+CCCCCCCC(=O)OC[C@@H](C=O)N	K4Q	[(2~{s})-2-azanyl-3-oxidanylidene-propyl] octanoate
+B(c1ccc(cc1)N(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O	K4S	(4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid
+Cn1c(cc(n1)c2ccccc2)C(=O)NC3CC3	K4T	~{n}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide
+CC(=O)Oc1ccc(cc1)[N+](=O)[O-]	K4V	4-nitrophenyl acetate
+CC[C@H](CO)Nc1nc(c(c(n1)NC(C)C)N=O)NCc2ccc(cc2)O	K4W	4-[[[5-nitroso-2-[[(2~{r})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol
+COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)N	K4Y	4-amino-n-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCC[C@H](C(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)[NH3+]	K4Z	3-[3-[[4-[[4-[[4-[[4-[[(2~{r})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium
+CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C#N	K51	4-(6-{[(1s)-1-(hydroxymethyl)-2-methylpropyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzonitrile
+C[C@H](c1ccc(cc1)S(=O)(=O)NC(=O)C)NC(=O)c2cc(nn2C)c3ccccc3	K52	~{n}-[(1~{r})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccccc3O)O)S(=O)(=O)c4ccc5c(c4)OCO5	K53	(5s)-n-{(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccccc3C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)scn5	K54	(5s)-n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
+CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)C[C@H](CC)C(=O)O	K55	(2s)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
+COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5NC4=O	K56	3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one
+Cc1c(cccc1O)C(=O)N[C@@H](Cc2ccccc2)C(C(=O)N3CSC([C@H]3C(=O)NC(C)(C)C)(C)C)O	K57	(4r)-n-tert-butyl-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide
+C[C@H](c1ccc(cc1)C(=O)O)NC(=O)c2cc(nn2C)c3ccccc3	K58	4-[(1~{r})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
+Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)C#N	K5A	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide
+C([C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O	K5B	4,7-anhydro-3-deoxy-d-gluco-oct-2-ulosonic acid
+Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N	K5C	4-({4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide
+c1cc(cc(c1)Br)OCC(=O)N[C@@H]2C[C@@H]3C[C@@H]3[C@@H]2O	K5D	2-(3-bromophenoxy)-n-[(1s,2s,3r,5s)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide
+c1cc(cc(c1)O)[C@H]2C3=C(CCCC3O)NC(=S)N2	K5E	(4s,5r)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1h)-thione
+c1cc(cc(c1)Br)OCCCC(=O)N[C@H]2CCSC2=O	K5G	4-(3-bromophenoxy)-n-[(3s)-2-oxothiolan-3-yl]butanamide
+C([C@@H](C(=O)O)N)SCC(C(F)(F)F)(O)O	K5H	(2~{r})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid
+CS(=O)(=O)c1cccc(c1)OCCCC(=O)N[C@@H]2C[C@H]3C[C@H]3C2=O	K5J	4-[3-(methylsulfonyl)phenoxy]-n-[(1r,3r,5r)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide
+Cc1cc2c(cc(n2C)C(=O)N[C@H](CO)c3ccc(cc3)S(=O)(=O)CC(=O)O)c(c1Cl)Cl	K5K	2-[4-[(1~{s})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid
+C([C@H](C(=O)O)N)OC(=O)CC(=O)O	K5L	(2~{r})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
+CS(=O)(=O)c1cccc(c1)OCCCC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2=O	K5M	4-[3-(methylsulfonyl)phenoxy]-n-[(1s,3s,5s)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide
+C[C@H](c1ccc(cc1)C(=O)NS(=O)(=O)C)NC(=O)c2cc(nn2C)c3ccccc3	K5N	2-methyl-~{n}-[(1~{r})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide
+CC(C)(C)c1ccc(cc1)N2[C@@H]([C@H](c3ccccc3C2=O)C(=O)O)c4ccc(cc4)OC	K5P	(3s,4s)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
+c1ccc\2c(c1)C/C(=N\O)/C2=C/c3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	K5Q	(2s)-6-[(e)-[(2e)-2-hydroxyimino-3h-inden-1-ylidene]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC(C)(C)c1ccc(cc1Cl)N2[C@@H]([C@H](c3ccc(cc3C2=O)F)CC(=O)O)c4ccc5c(c4)OCCO5	K5S	[(3s,4s)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@H](C)C(=O)O)C(=O)N)N	K5T	(2~{r})-2-[[(2~{s})-2-[[(4~{r})-5-azanyl-4-[[(2~{s})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid
+c1cc(cc(c1)O)N	K5V	3-aminophenol
+c1cc(c(c(c1)S(=O)(=O)N)F)F	K5W	2,3-bis(fluoranyl)benzenesulfonamide
+c1ccc(cc1)CCCCOCCCCCCNC[C@@H](c2ccc(c(c2)CO)O)O	K5Y	salmeterol
+[H]/N=C(\c1cc(c(s1)CCCN)c2ccccc2)/N	K5Z	5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)OCO5	K60	5s)-n-[(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr ifluoromethyl)phenyl]-5-oxazolidinecarboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc5c(c4)OCO5	K62	(5s)-3-(3-acetylphenyl)-n-[(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)pr opyl]-2-oxo-5-oxazolidinecarboxamide
+Cc1ccccc1CNC(=O)[C@@H]2C(SC[N@]2C(C(=O)[C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C	K64	3-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyryl]-5,5- dimethyl-thiazolidine-4-carboxylic acid 2-methyl-benzylamide
+[H]/N=C(\c1cc(cs1)c2ccccc2NC(=O)C=C)/N	K65	~{n}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide
+CN(C)c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br	K66	[4,5,6,7-tetrabromo-2-(dimethylamino)-1h-benzimidazol-1-yl]acetic acid
+CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OCC)CC(=O)C	K67	n,n'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide)
+c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br	K68	(4,5,6,7-tetrabromo-1h-benzimidazol-1-yl)acetic acid
+[H]/N=C(/c1cc2cccc(c2s1)c3cccc(n3)N)\N	K6B	7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N](C)(C)C)O	K6G	[(2~{r})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate
+C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl	K6H	(2s)-2-chloranyl-2-[(2r)-5-oxidanylidene-2h-furan-2-yl]ethanoic acid
+CN(CCOc1ccc(cc1)C2CCN(CC2)c3ccc4nnc(n4n3)OC)c5ccc6nnc(n6n5)OC	K6K	3-methoxy-n-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-n-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
+CC(C)(C)NCCCNC(=O)c1cccc(c1)C(F)(F)F	K6M	n-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide
+[H]/N=C(\c1cc2cccc(c2s1)n3cc(c(n3)N)C)/N	K6N	7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide
+CC(C)(C)NCCCNC(=O)c1cccc(c1)I	K6P	n-[3-(tert-butylamino)propyl]-3-iodobenzamide
+C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)F	K6Q	4-[(~{e})-2-(4-fluorophenyl)ethenyl]-1-[(~{e})-prop-1-enyl]piperidine
+CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C	K6S	n-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide
+[H]/N=C(\c1cc(c(s1)Nc2cccc(c2)N)c3ccccc3)/N	K6T	5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide
+CCCC(=O)N[C@@H](C)CO	K6V	n-[(2s)-1-hydroxypropan-2-yl]butanamide
+[H]/N=C(/c1cc(c(s1)Cc2ccccc2)c3ccccc3)\N	K6W	4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide
+c12c(c(c(c(c1Br)Br)Br)Br)[nH]nc2Br	K6X	3,4,5,6,7-pentabromo-1h-indazole
+Cc1cc(no1)[C@@](C)(C#Cc2cc-3c(cc2F)C4CC(C4)n5c3nc(c5C(=O)NC)C(=O)N)O	K6Y	(5s,7s)-9-fluoro-10-[(3r)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-n~3~-methyl-6,7-dihydro-5h-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide
+[H]/N=C(\c1cc(c(s1)Nc2ccccc2)c3ccccc3)/N	K6Z	4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide
+c1cc2c(nc1)[N+](=C3C=CC=CC3=S2)Cc4ccc(cc4)C(=O)NO	K70	10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium
+CO[C@@H]1C[C@@](O[C@@H]([C@@H]1O)[C@@H](CO)O)(C(=O)O)O	K71	3-deoxy-4-o-methyl-alpha-d-manno-oct-2-ulopyranosonic acid
+C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)C(F)(F)F	K72	1-[(~{e})-prop-1-enyl]-4-[(~{e})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)CN)N	K73	(2~{s})-~{n}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
+CNC(=O)CSc1nc2c(n1C)c(c(c(c2Br)Br)Br)Br	K74	n-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1h-benzimidazol-2-yl)sulfanyl]acetamide
+CC#C[C@@H]1c2cc3c(cc2N=C(N1)N)[nH]c(n3)NC	K75	(8~{r})-~{n}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{h}-imidazo[4,5-g]quinazoline-2,6-diamine
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C=CC(=O)N3CC(C3)(F)F	K76	(2e)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one
+CC(C)(C)c1cc(c(c(c1)Br)O)CNCCCc2ccccc2	K78	2-bromo-4-tert-butyl-6-{[(3-phenylpropyl)amino]methyl}phenol
+c1c(nc(c(n1)C(=O)O)C(=O)O)O	K7A	5-hydroxypyrazine-2,3-dicarboxylic acid
+c1ccc(cc1)c2cccc3c2NC=C(C3=O)C(=O)O	K7D	4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid
+S[Cu]S([Cu])([Cu])[Cu]	K7E	sulfanyl-(tricuprio-$l^{4}-sulfanyl)copper
+Cc1cc(cc(c1Oc2c(cnc(n2)NC3CCN(CC3)Cc4ccc(cc4)C(=O)N)c5ccncc5)C)C#N	K7F	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide
+c1ccc(cc1)C2=CS/C(=C(/C#N)\C(=O)c3ccccc3Cl)/N2	K7G	thiapronil
+CNc1[nH]c2cc3c(cc2n1)CNC(=N3)N	K7H	~{n}2-methyl-7,8-dihydro-3~{h}-imidazo[4,5-g]quinazoline-2,6-diamine
+C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O	K7I	l-alanyl-n-[(1s,2r)-1-benzyl-2-hydroxypropyl]-l-alaninamide
+C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](CCl)O)NC(=O)CCC(=O)O	K7J	n-(3-carboxypropanoyl)-l-alanyl-l-alanyl-n-[(2s,3s)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-l-prolinamide
+CCCCCC[P@](=O)(OC[C@@H](C(=O)O)N)Oc1cccnc1c2c(cccn2)O	K7K	2-azanyl-3-[hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphoryl]oxy-propanal
+C[C@H](Cc1ccccc1)NO	K7M	(2r)-n-hydroxy-1-phenylpropan-2-amine
+[H]/N=C(\c1cc(c(s1)c2cn(cn2)CCN)c3ccccc3)/N	K7N	5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
+[H]/N=C(/c1cc2c(ccc(c2s1)OC)C(=O)NCCN)\N	K7Q	~{n}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide
+Cc1ccc(cc1c2ccc3c(c2)NC(=O)N3C)NC(=O)c4cccc(c4)C(F)(F)F	K7S	n-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
+[C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	K7V	 neo-inositol pentakisphosphate
+CC(C)[C@@H](C(=O)O)NC(=O)CCSc1ccc(cc1)Cl	K7Z	(2~{s})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid
+Cc1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O	K80	(2s,3r,4s,5s)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol
+Cc1ccc(cc1c2cc(nc(c2)OCCO)N3CCOCC3)NC(=O)c4ccnc(c4)C(F)(F)F	K81	n-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide
+CCCOc1ccc(cc1Cl)CN	K82	1-(3-chloro-4-propoxyphenyl)methanamine
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(cc3)OC	K83	3-hydroxy-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]benzamide
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(o1)c2ccccn2	K84	(9z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one
+CC(C)OC(=O)CCn1cnc(n1)c2cc(cc(c2)OC)C(F)(F)F	K85	propan-2-yl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}propanoate
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC	K86	4-tert-butyl-n-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide
+Cc1cccc(c1NC(=O)CCOc2c(c(nc(n2)c3ncccn3)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)Oc5ccccc5OC)C	K87	3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-n-(2,6-dimethylphenyl)propanamide
+CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c3cc4c([nH]3)CCCC4)/C(=O)N2	K88	(3z)-n,n-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1h-indol-2-ylmethylidene)-2,3-dihydro-1h-indole-5-sulfonamide
+c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F	K89	4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{n}-[3,4,5-tris(fluoranyl)phenyl]benzamide
+c1c(cncc1Br)c2n[nH]nn2	K8A	3-bromo-5-(2h-tetrazol-5-yl)pyridine
+C/C=C/N1CCC(CC1)CCc2ccc(cc2)C(C)C	K8B	4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{e})-prop-1-enyl]piperidine
+CNc1ccc(c(c1)C(=O)O)C(=O)O	K8D	4-(methylamino)benzene-1,2-dicarboxylic acid
+c1cc(c(cc1[N+](=O)[O-])C(=O)O)C(=O)O	K8G	4-nitrobenzene-1,2-dicarboxylic acid
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CN4CCCC45CCNCC5)O)O	K8H	(2~{r},3~{r},4~{s},5~{r})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol
+c1cc(c(cc1F)C(=O)O)C(=O)O	K8J	4-fluorobenzene-1,2-dicarboxylic acid
+c1ccc(cc1)Cc2nc([nH]n2)C(=O)N[C@H]3CCc4cc(cc(c4NC3=O)F)F	K8K	~{n}-[(3~{s})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{h}-1,2,4-triazole-5-carboxamide
+c1cc(ccc1NC(=O)[C@@H]2CC(CN(C2)C(=O)c3cc(cc(c3)F)c4ccncc4)(F)F)Cl	K8M	(3r)-n-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzene-1-carbonyl]piperidine-3-carboxamide
+c1cc2cc(c(nc2cc1CC[C@H]3C[C@H]([C@@H]([C@@H]3O)O)n4ccc5c4ncnc5N)N)Br	K8N	(1~{s},2~{r},3~{s},5~{r})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol
+C[C@@H](C(=O)C=C)N[C@@H]([C@@H](COP(=O)(O)O)O)O	K8P	[(2~{r},3~{r})-2,3-bis(oxidanyl)-3-[[(2~{s})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate
+c1cc2c(c(c1)Br)NC(=O)N2C3CCN(CC3)C(=O)Nc4ccc(cc4)I	K8Q	4-(4-bromanyl-2-oxidanylidene-3~{h}-benzimidazol-1-yl)-~{n}-(4-iodophenyl)piperidine-1-carboxamide
+c1cc(cc(c1)C(=O)N2C[C@H](CC(C2)(F)F)C(=O)Nc3ccc(cc3)Cl)c4ccco4	K8S	(3s)-n-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzene-1-carbonyl]piperidine-3-carboxamide
+c1ccc(cc1)c2ccc(cc2)CCNC(=O)CN3C=CC=C(C3=O)O	K8T	2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{n}-[2-(4-phenylphenyl)ethyl]ethanamide
+c1cc(c(cc1NC(=O)CCCC(=O)O)C(=O)O)C(=O)O	K8V	4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid
+[H]/N=C(\c1cc2cccc(c2s1)c3ccc(c(n3)N)C)/N	K8W	7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide
+c1[nH]c2c(n1)c(c(c(c2I)I)I)I	K8X	4,5,6,7-tetraiodo-1h-benzimidazole
+c1cc(c(cc1NC(=O)CCC(=O)O)C(=O)O)C(=O)O	K8Y	4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid
+c1cc2c(ccc(c2nc1)Oc3cc(ccc3O)Cl)Cl	K91	4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol
+[H]/N=C(/c1cc(c(s1)c2cncn2CCN)c3ccccc3)\N	K92	5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
+CC(C)(C[C@@H](C(=O)O)N)C(F)F	K94	4-(difluoromethyl)-l-leucine
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccccc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	K95	(4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-{[s-methyl-n-(phenylacetyl)-l-cysteinyl]ami no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+c1cc2c(cc1C(=O)O)[nH]cc2CN3CCOCC3	K97	3-(morpholin-4-ylmethyl)-1h-indole-6-carboxylic acid
+C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)O)O)O)O	K99	(2r,3r,4r,5r,6s)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1r,2r)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+Cc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N	K9A	5-{4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine
+[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)(O)O	K9B	(4~{r})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
+CCCCCCCCCCOc1cc(cnc1)CC(P(=O)(O)O)P(=O)(O)O	K9H	{2-[5-(decyloxy)pyridin-3-yl]ethane-1,1-diyl}bis(phosphonic acid)
+CCC(=O)N1CCN(CC1)c2c3c(nc(n2)O[C@H](C)CN(C)C)CN(CC3)c4cc(cc5c4cccc5)O	K9J	1-{4-[2-{[(2r)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
+[B-]12([C@H](Cc3cccc(c3O1)C(=O)O)N=C(O2)CC4CCC(CC4)NCCN)O	K9K	(10ar)-2-(((1r,4r)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10h-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide
+c1cc(cc(c1)F)C[C@H]2C[C@@H]2NCCc3ccnc(n3)n4ccnc4	K9L	(1s,2s)-2-(3-fluorobenzyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine
+CCC(=O)N1CCN(CC1)c2c3c(ncn2)CN(CC3)c4cccc5c4cccc5	K9M	1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
+CCCCCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C	K9P	1-[(1s)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one
+c1ccc(cc1)c2ccc(cc2)C[C@@H](CN)NC(=O)[C@@H]3C[C@H](CN3)O	K9Q	(2~{s},4~{r})-~{n}-[(2~{s})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1ccc2c(c1)c(cs2)CN	K9S	1-(1-benzothiophen-3-yl)methanamine
+CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCOP(=O)(O)O)ncnc2Nc3ccc4c(c3)ncs4	K9T	2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate
+c1ccc(cc1)CCCNC(=O)NC2CCC(CC2)OCc3c(cccc3F)F	K9V	n-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-n'-(3-phenylpropyl)urea
+c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2CCCN2)c3ccc(cc3)C#N	K9W	(2~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)n4cnc5c4ncnc5N	K9Y	1-[4-(6-amino-9h-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2C[C@@H](CN2)O)c3ccc(cc3)C#N	K9Z	(2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCO)ncnc2Nc3ccc4c(c3)ncs4	KA2	2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol
+c1cc(c(c(c1NS(=O)(=O)c2cc(cc(c2Cl)CO)Cl)F)C#Cc3cnc(nc3)N)F	KA4	n-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide
+COc1ccc(c(c1)CNc2ccc3c(c2Cl)c(nc(n3)N)N)OC	KA5	5-chloro-n~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine
+COc1c(cc(cn1)Cl)S(=O)(=O)Nc2ccc(c(c2F)C#Cc3cnc(nc3)N)F	KA7	n-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide
+c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2C[C@@H](CN2)F)c3ccc(cc3)C#N	KA8	(2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N	KAA	5'-o-[(l-lysylamino)sulfonyl]adenosine
+C[C@H]1C[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C\C=C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@@H]([C@H]([C@H](C1)O)C)OC)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)\C=C\N(C)CO)OC)OC)O[C@H](N)O	KAB	kabiramide c
+c1ccc(cc1)C(=O)NCCCC(=O)O	KAC	4-(benzoylamino)butanoic acid
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCC([C@H](Cc2ccccc2)NC(=O)c3ccccc3)(O)O	KAF	n-{(5s)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-l-phenylalanine
+C[C@@H](CC=O)NC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	KAG	2'-deoxy-n-[(1s)-1-methyl-3-oxopropyl]guanosine 5'-phosphate
+C[C@H]([C@@H](CCC(=O)O)O)N	KAH	5-amino-4-hydroxyhexanoic acid
+CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O	KAI	3-(carboxymethyl)-4-isopropenylproline
+c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)NC(=NC2=O)N	KAK	3'-deoxy-guanosine-5'-monophosphate
+C[C@@H](C/C=C/C=C\CCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O	KAL	kalimantacin
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)CCCCCC(=O)O)O	KAM	n-[7-keto-8-aminopelargonic acid]-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane]
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N	KAN	kanamycin a
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)c4cccnc4	KAO	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[4-(pyridin-3-yl)phenyl]urea
+C[C@@H](C(=O)CCCCCC(=O)O)N	KAP	7-keto-8-aminopelargonic acid
+CS[C@H]1C[C@H](NC1)C(=O)N[C@@H](Cc2ccc(cc2)c3ccc(cc3)C#N)CN	KAQ	(2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide
+CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@](C[C@]71C(=O)N(C(=O)O1)CCCl)(C=CC9)CC)C)C(=O)OC)O	KAR	3"-(beta-chloroethyl)-2",4"-dioxo-3, 5"-spiro-oxazolidino-4-deacetoxy-vinblastine
+B(Cn1cc(nn1)c2cccc(c2)C(=O)O)(O)OP(=O)(O)O	KAS	3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1h-1,2,3-triazol-4-yl)benzoic acid
+c1ccc(cc1)N2CCN(CC2)C(=O)n3ccnn3	KAT	(4-phenylpiperazin-1-yl)(1h-1,2,3-triazol-1-yl)methanone
+Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4cc(ncn4)NC(=O)C5CC5	KAV	n-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1h-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide
+c1ccc(cc1)C[C@@H](C(CCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)(O)O)NC(=O)c4ccccc4	KAW	n-{(5s)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-l-tryptophan
+Cc1ccc(c(c1)C(=O)O)C(=O)O	KAY	4-methylbenzene-1,2-dicarboxylic acid
+CN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)C(=O)Nc4ccccc4CC(=O)O	KAZ	2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
+Cc1cc(cc2c1CC(=C2c3ccccc3)c4ccc(cc4)O)O	KB0	2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1h-inden-5-ol
+c1cc(ccc1CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)F	KB1	5'-{[(3s)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino}-5'-deoxyadenosine
+CCCC[C@@H](C(=O)C)n1cc(nn1)[C@](C)(C(C)C)NCc2ccc3c(c2)cccn3	KB2	(3s)-3-(4-{(1s)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1h-1,2,3-triazol-1-yl)heptan-2-one
+COc1ccc2c(c1)NC(=O)CN2c3c4c(cccn4)nc(n3)Cl	KB4	4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+c1nc(c2c(n1)[nH]c(n2)S)N	KB5	6-azanyl-9~{h}-purine-8-thiol
+CCNC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O	KB7	5'-o-(ethylcarbamoyl)guanosine
+Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNCC3	KB8	6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCCn2ccnn2)O)O)O	KBA	2-(1h-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-l-galactopyranoside
+c1cc(c(cc1F)S(=O)(=O)N)F	KBB	2,5-bis(fluoranyl)benzenesulfonamide
+c1ccc(cc1)CNC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	KBD	5'-o-(benzylcarbamoyl)guanosine
+C(C[C@@H](CC(=O)O)N)CN	KBE	beta-lysine
+c1ccc2cc(c(cc2c1)C(=O)NC[C@H]3CCCO3)O	KBF	3-oxidanyl-~{n}-[[(2~{r})-oxolan-2-yl]methyl]naphthalene-2-carboxamide
+C([C@@H]1[C@H]([C@@H](C(=O)[C@@H](O1)O)O)O)O	KBG	beta-d-arabino-hexopyranos-2-ulose
+c1cc(ccc1c2ccc(cc2S(=O)(=O)F)C(=O)O)F	KBH	4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid
+c1c(cc(c(c1F)Nc2nc3cnc(nc3n2[C@H]4CCOC4)NC5CCC(CC5)O)F)F	KBI	trans-4-({9-[(3s)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9h-purin-2-yl}amino)cyclohexanol
+c1ccc(cc1)CCNC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	KBJ	5'-o-[(2-phenylethyl)carbamoyl]guanosine
+CN(C(=O)CO[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O	KBK	[(r)-{2-[hydroxy(methyl)amino]-2-oxoethoxy}(4-methoxyphenyl)methyl]phosphonic acid
+COc1ccc2c(c1)cc(o2)C(=O)c3ccc(cc3)Cl	KBM	(4-chlorophenyl)(5-methoxy-1-benzofuran-2-yl)methanone
+c1[nH]c2c(n1)c(nc(n2)C(F)(F)F)S	KBN	2-(trifluoromethyl)-9~{h}-purine-6-thiol
+CCCCCCC[C@H](CC(=O)SCCNC(=O)C)O	KBP	s-[2-(acetylamino)ethyl] (3r)-3-hydroxydecanethioate
+c1c[nH]c2c1C(=O)NC(=S)N2	KBQ	2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
+CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO	KBR	icaridin
+CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)O)Sc2ccc(cc2)OC	KBS	2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid
+CCCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C	KBT	3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
+CC(C)(C)c1ccc(cc1)C[C@H](CC(=O)O)N	KBV	(3r)-3-amino-4-(4-tert-butylphenyl)butanoic acid
+[C](=O)[Re]12(O3[Re]4(O1[Re]5(O2[Re]3(O45)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)[C]=O	KBW	re4(mu3-oh)4(co)12
+CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)N[C@H](Cc2ccc(cc2)C(C)(C)C)CC(=O)NCC(=O)O)Sc3ccc(cc3)OC	KBY	n-[(3r)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine
+c1cc(ccc1C#N)S(=O)(=O)N	KBZ	4-cyanobenzenesulfonamide
+CCC\1=C(c2/cc\3/c(c(c4/n3[Mg]n5c(/cc1\n2)c(c6c5/c(c/7\nc(\c4)C(=C7/C=C/C(=O)O)C)/[C@H](C6=O)C(=O)OC)C)C)C=C)C	KC1	chlorophyll c1
+Cc1/c/2c/c3n/c(c/4\c5c(c(c/6n5[Mg]n2/c(/c1C=C)c\c7n/c(c6)/C(=C7C)C=C)C)C(=O)[C@@H]4C(=O)OC)/C(=C3C)/C=C/C(=O)O	KC2	chlorophyll c2
+CNC(=O)c1ccc(cc1)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F	KC4	n-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide
+COc1ccc(cc1)N/C=C\2/c3c(c4c(o3)cc(c(c4Cl)O)Cl)CCC2=O	KC5	(4~{z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
+c1cnc(cc1C(=O)NCCN)c2cc(ccn2)C(=O)O	KC6	4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid
+c1ccc(cc1)COc2cccc3c2c(ncn3)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO	KC7	(1r,2s,3r,5r)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol
+C[C@@]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3	KC8	2-[4-[(4~{s})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{h}-quinazolin-4-one
+CC(C)(C)[C@@H](C(=O)OC)NC(=O)c1c2ccccc2n(n1)Cc3ccc(cc3)F	KCA	methyl n-{1-[(4-fluorophenyl)methyl]-1h-indazole-3-carbonyl}-3-methyl-l-valinate
+CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(cc3nc2)OC(F)F)O	KCD	7-(difluoromethoxy)-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
+C[C@H](Cc1ccc(cc1)C(C)(C)C)[C@@H](c2nnnn2Cc3ccc4c(c3)OCO4)NN	KCE	[(1~{s},2~{r})-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]-3-(4-~{tert}-butylphenyl)-2-methyl-propyl]diazane
+c1cc(c(cc1N)c2cc(ccn2)C(=O)O)O	KCH	2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid
+c1c(ncs1)C[C@@H](C(=O)O)N	KCJ	3-(1,3-thiazol-4-yl)-l-alanine
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)N	KCM	n-[(4s,5s)-4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]guanidine
+O=[W]123O[W]456(=O)O[Co]78O[W]9%10%11(=O)O77[Si@]%12%13O11[W]%14(=O)(O2)(O9)O[W]11(=O)(O3)O[W]23(=O)(O4%12[W]4(=O)(O5)(O2)O[W]7(=O)(O8)(O%10)O[W]25(=O)(O%11)O%137[W](=O)(O%14)(O1)(O2)O[W]7(=O)(O4)(O3)O5)O6	KCO	 co-substituted beta-keggin
+CC1=C(N[C@@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2cccs2)C(=O)O	KCP	2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methyl-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+CC(=O)[C@H](C[C@@H]1CCNC1=O)N	KCQ	(3s)-3-[(2s)-2-amino-3-oxobutyl]pyrrolidin-2-one
+C/C=C/C(=O)NCCCC[C@@H](C(=O)O)N	KCR	n-6-crotonyl-l-lysine
+C(=S)(S)S	KCS	carbonotrithioic acid
+c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)N[C@@H]4C(=O)O	KCT	(5s)-7-oxo-6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid
+C(CCNC(=O)O)C[C@@H](C(=O)O)N	KCX	lysine nz-carboxylic acid
+C(CS)[C@H](C(=O)O)N	KCY	d-homocysteine
+C[C@@H](CNCCc1ccc(c(c1)O)O)c2ccccc2	KCZ	4-[2-[[(2~{r})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O	KD0	3-deoxy-8-o-phosphono-d-manno-oct-2-ulosonic acid
+C([C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O	KD5	4,7-anhydro-3-deoxy-d-manno-oct-2-ulosonic acid
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cscn3)NC(=O)CCc4ccccc4	KD7	n-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-l-alanyl-n-[(1s,2s)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-l-valinamide
+Cc1c(nc2c(n1)C(=O)NC(=S)N2)C	KD8	6,7-dimethyl-2-sulfanylidene-1~{h}-pteridin-4-one
+C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C(=O)O	KDA	prop-2-en-1-yl 3-deoxy-alpha-d-manno-oct-2-ulopyranosidonic acid
+C1C=C[C@@](O[C@@H]1[C@@H](CO)O)(C(=O)O)O	KDB	3,4,5-trideoxy-alpha-d-erythro-oct-3-en-2-ulopyranosonic acid
+C1[C@H](OC(=CC1O)C(=O)O)[C@@H](CO)O	KDD	2,6-anhydro-3,5-dideoxy-d-ribo-oct-2-enonic acid
+C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@H](CO)O)O)O)C(=O)O	KDE	prop-2-en-1-yl 3-deoxy-beta-l-gulo-oct-2-ulopyranosidonic acid
+C1[C@@H]([C@H](O[C@]1(C(=O)O)O)CO)O	KDF	3-deoxy-alpha-d-erythro-hex-2-ulofuranosonic acid
+C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O	KDG	2-keto-3-deoxygluconate
+c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O	KDH	(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCCOC)N	KDI	3-amino-n-(3-methoxypropyl)-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}pyrazine-2-carboxamide
+[C@H]1([C@H](C([C@H]([C@@H](C1NC(=O)C(F)(F)P(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	KDJ	(1,1-difluoro-2-oxo-2-{[(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid
+[H]/N=C(/c1cc(c(s1)CC2CCNCC2)c3ccccc3)\N	KDK	4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide
+CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC	KDL	(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-[(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-3-oxidanyl-5-[[(3~{r})-3-oxidanyltetradecanoyl]amino]-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O	KDM	deamino-alpha-neuraminic acid
+C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O	KDN	deamino-beta-neuraminic acid
+C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O	KDO	3-deoxy-alpha-d-manno-oct-2-ulopyranosonic acid
+C([C@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O	KDP	2-keto-deoxy-galactose
+c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CO)Cl	KDQ	(2~{s})-~{n}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide
+C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C=O	KDR	prop-2-en-1-yl 3-deoxy-alpha-d-manno-octos-2-ulopyranoside
+c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F	KDS	4-[(quinolin-3-yl)methyl]-n-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
+CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)N)S(=O)(=O)c3ccccc3	KDT	n-(6-amino-1-(4-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+c1ccc2c(c1)cc(cn2)C#N	KDV	quinoline-3-carbonitrile
+Cc1cc(c(cc1OCc2cccc(c2C)c3cccc(c3C)COc4cc(c(cc4C)CNCCNC(=O)C)OCc5cc(cnc5)C#N)OCc6cc(cnc6)C#N)CNCCNC(=O)C	KDW	~{n}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide
+c1cc(c2cc[nH]c2c1)CCN	KDY	2-(1h-indol-4-yl)ethan-1-amine
+[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O	KDZ	(3~{r})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid
+C[C@@H]1[C@@H](NC(=C1S[C@@H]2C[C@@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O	KE1	meropenem, bound form
+Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	KE2	(3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)CN)O	KE4	(4r)-5-amino-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
+Cc1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O	KE5	(3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
+C[C@H](C(F)(F)F)Oc1cc(ccc1Nc2nc3c(c(c[nH]3)Cl)c(n2)OC4CCC(CC4)(C)O)C(=O)N(C)C	KE7	4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7h-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-n,n-dimethyl-3-{[(2r)-1,1,1-trifluoropropan-2-yl]oxy}benzamide
+CC1(c2c(cc(s2)c3ccnc(n3)Nc4ccnn4C)C(=O)N1CCN5CCOCC5)C	KE8	6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
+C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)/C=C/C(=O)O)F	KE9	(e)-3-(3,5-difluoro-4-((1r,3r)-2-(2-fluoro-2- methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1h-pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=[N-]	KEA	2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate)
+Cc1cc(cc(c1O)C)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	KEB	(3~{s},6~{s})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
+c1ccc2c(c1)C(=CC(=O)N2)CP(=O)(O)O	KED	[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
+c1ccc(cc1)[C@@H]2[C@H]([C@@H]2C(=O)NO)c3ccc(cc3)c4cnco4	KEE	(1r,2r,3r)-2-[4-(1,3-oxazol-5-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide
+CON=C(c1ccco1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O	KEF	cefuroxime (oct-3-ene form)
+O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%12%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)(O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[W]1(=O)(O6)(O5)O%12	KEG	12-tungstophosphate
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)I)O)O	KEH	(3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
+Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cnn4c3nccc4	KEJ	n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CCc1ccccc1Cl	KEK	(3e,5r)-8-(2-chlorophenyl)-5-methyl-2,6-dioxooct-3-enoate
+C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO	KEL	n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-alanine
+C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CC[C@@H]1[C@H]2CC[C@@H]([C@]2(CCC1=O)C)O	KEM	(3e,5r)-8-[(1s,3ar,4r,7as)-1-hydroxy-7a-methyl-5-oxooctahydro-1h-inden-4-yl]-5-methyl-2,6-dioxooct-3-enoate
+CN(C)C	KEN	n,n-dimethylmethanamine
+C(C[C@@H](CC(=O)NCC[C@@H](C[C@@H](C(=O)O)N)O)N)CN	KEO	e(r)-beta-lysyl-hydroxylysine
+Cn1cc(c(n1)c2cc(ccc2OC(F)F)Cl)NC(=O)c3cnn4c3nccc4	KEP	n-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1h-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+COc1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	KEQ	(3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
+c1cnc2c(cnn2c1)C(=O)Nc3cn[nH]c3c4cc(ccc4OC(F)F)Cl	KES	n-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1h-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C=NC(CC(=O)O)C(=O)O)O	KET	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethylene)-amino]-succinic acid
+c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	KEU	n-{4-[(1r)-4-[(2r,4r,5s)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]benzoyl}-d-glutamic acid
+Cn1cc2cncc(c2n1)C(=O)Nc3cn(nc3c4cc(ccc4OC)Cl)C	KEV	n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]-2-methyl-2h-pyrazolo[4,3-c]pyridine-7-carboxamide
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)Cl)O)O	KEW	(3~{s},6~{s})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
+Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cncc4c3[nH]nc4	KEY	n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]-1h-pyrazolo[4,3-c]pyridine-7-carboxamide
+C#Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	KEZ	3-acetylene dicyclotyrosine
+COc1cc2ccccc2cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5	KF1	n-[5-(3-methoxynaphthalen-2-yl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)C=O	KF2	[(1~{r})-1-azanyl-3-phenyl-propyl]-[(2~{s})-2-methanoyl-4-methyl-pentyl]phosphinic acid
+COc1cc2c(cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5)cn[nH]2	KF4	n-[5-(6-methoxy-1h-indazol-5-yl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@@H]3CCCCO3)N	KF5	9-[(2~{s})-oxan-2-yl]purin-6-amine
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@H](Cc4ccccc4)P(=O)(O)O	KF7	[(1s)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O	KFA	[(1r)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
+C(CCN)CC(=O)O	KFB	5-aminovaleric acid
+c1cc(nc(c1)C(=O)Nc2cc3c(cc2N4CCCCC4)oc(n3)N5CCOCC5)c6cc7cc[nH]c7nc6	KFD	n-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1h-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
+C1C2CC3CC1CC(C2)(C3)COCCCCCNC(=O)[C@@H]4[C@H]([C@H]([C@H](N4)CO)O)O	KFE	(2~{s},3~{r},4~{s},5~{r})-~{n}-[5-(1-adamantylmethoxy)pentyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidine-2-carboxamide
+COP(=O)(O)OC	KFG	dimethyl hydrogen phosphate
+c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	KFH	2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
+c1cc(ccc1C[C@H]([C@@H](C(=O)O)N)O)[N+](=O)[O-]	KFJ	4-(4-nitrophenyl)-l-threonine
+Cc1c(c(n(n1)C)C)CCOc2c(ccc(c2F)F)c3ccc4c(c3)c(nn4C)CN(C)C	KFK	1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine
+C1=C(O[C@H]([C@@H]([C@H]1O)O)[C@@H]([C@@H](CO)O)O)C(=O)O	KFN	2,6-anhydro-3-deoxy-d-glycero-d-galacto-non-2-enonic acid
+c1c(nc2c(n1)N=C(NC2=O)N)CNCCCC[C@H](C(=O)O)N	KFP	n~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-d-lysine
+c1ccc-2c(c1)NC(=O)c3n2c(nn3)S	KFQ	1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5h)-one
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)O	KFS	[4-(4-cyano-3-methylphenoxy)phenyl]acetic acid
+CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O	KFT	(2~{s},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-~{n}-pentyl-pyrrolidine-2-carboxamide
+CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	KFV	[1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
+C1C[C@H]([C@@H](NC1)CO)O	KFW	(2~{s},3~{r})-2-(hydroxymethyl)piperidin-3-ol
+C/C=C/Cn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC	KFY	9-[(2e)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9h-purin-6-amine
+CCc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O	KFZ	2-{[(2,5-dichlorophenyl)methyl]sulfanyl}-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O	KG1	propadienyl 6-deoxy-alpha-l-galactopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)O)O)O)N	KG4	5'-o-[(r)-(carboxyoxy)(hydroxy)phosphoryl]adenosine
+c1cc(ccc1COCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)c3ccc4c(c3)OCCCO4	KG5	(2~{r},3~{r},4~{r},5~{s})-1-[5-[[4-(3,4-dihydro-2~{h}-1,5-benzodioxepin-7-yl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
+C/C(=N\O)/C(=O)O	KG7	(2e)-2-(hydroxyimino)propanoic acid
+c1ccc(cc1)CCCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O	KG8	(5~{r},6~{r},7~{s},8~{s})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
+CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	KGA	[1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
+c1ccc(cc1)COCCN2CC([C@H]([C@H]([C@@H]2CO)O)O)O	KGB	(2~{s},3~{s},4~{r})-2-(hydroxymethyl)-1-(2-phenylmethoxyethyl)piperidine-3,4,5-triol
+C1C[C@@](OC1=O)(C(=O)O)NCCCC[C@@H](C(=O)O)N	KGC	n~6~-[(2r)-2-carboxy-5-oxotetrahydrofuran-2-yl]-l-lysine
+CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C	KGD	beta,psi-caroten-4-one
+C1C=C[C@H]([C@@H](N1)CO)O	KGE	(2~{s},3~{r})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
+COc1ccc(cc1)[C@]2(C[C@H](C(=N2)N)OC)c3cccc(c3)c4cccnc4	KGG	(3r,5r)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine
+C([C@H]1[C@@H]([C@H]([C@H]([C@H]([C@@H]1O)O)O)O)N)O	KGH	(1~{r},2~{s},3~{r},4~{r},5~{s},6~{r})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	KGJ	[1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
+Cc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	KGK	2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide
+CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	KGM	heptyl alpha-d-mannopyranoside
+C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	KGN	d-chiro inositol hexakisphosphate
+C[C@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	KGP	(2r)-sulfonatepropionyl-amino(dethia)-coa
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC	KGQ	diethyl ({4-[(2s,3r)-2-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}butyl]phenoxy}methyl)phosphonate
+C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-]	KGR	5-keto-4-deoxyglucarate
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)C(=O)O	KGT	n-(4-carboxy-4-oxobutanoyl)-l-cysteinylglycine
+CCN1c2cc(c(cc2N(C(=O)C1=O)CC)N3CCCCC3)NC(=O)CN4CCN(CC4)C	KGU	~{n}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide
+c1ccc(cc1)C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N	KGV	3'-deoxy-3'-(d-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)
+CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCOCC4	KGW	2-(4-(2-methoxy-4-morpholinophenylamino)-1,3,5-triazin-2-ylamino)-n-methylbenzamide
+CC#CCOc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)c3c(noc3C)C)C(=O)NO	KGY	4-({[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}methyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-n-hydroxypiperidine-4-carboxamide
+c1cc(ccc1CN2CC[C@]([C@@H](C2)F)(CC#N)n3cc(c(n3)NC(=O)C4CC4)C(=O)N)C5=CCCCC5	KGZ	1-[(3~{r},4~{r})-4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoranyl-piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
+CCC(CC)(CCCO[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O	KH1	5-(2-{1-[1-(4-ethyl-4-hydroxy-hexyloxy)-ethyl]-7a-methyl-octahydro-inden-4-ylidene}-ethylidene)-4-methylene-cyclohexane-1,3-diol
+C[N+]1(CCCCC1)CCCS(=O)(=O)[O-]	KH2	3-(1-methylpiperidinium-1-yl)propane-1-sulfonate
+CCCCCCNCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KH3	5'-{[(3s)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1c[nH]cn1)O	KH4	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1h-imidazole-4-carbothioate
+c1ccc(cc1)c2ccc(cc2)CN3CCC(CC3)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N	KH5	1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
+c1ccc(cc1)c2ccc(cc2O)CN3CCC(CC3)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N	KH8	1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
+C[N+]1(CCCCC1)Cc2ccc(cc2)C(=O)NCCO	KHA	1-(4-{[(2-hydroxyethyl)amino]carbonyl}benzyl)-1-methylpiperidinium
+C[C@@H](CC(=O)NCCCC[C@@H](C(=O)O)N)O	KHB	n~6~-[(3s)-3-hydroxybutanoyl]-l-lysine
+Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@H]3C#N)CCNCC4	KHC	(4~{s})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile
+CCC(=O)Nc1cccc(c1)Oc2ccnc(c2c3ccc(cc3)Oc4ccccc4)N	KHD	n-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide
+c1ccc(cc1)c2ccc(cc2)CN3CC[C@]([C@@H](C3)F)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N	KHE	1-[(3~{r},4~{r})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
+C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5	KHG	(1s,3r,5r,7s)-n-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+COC(=O)Nc1c(cn(n1)[C@]2(CCN(C[C@H]2F)Cc3cc(c(cc3F)C=C)O)CC#N)C(=O)N	KHH	methyl ~{n}-[4-aminocarbonyl-1-[(3~{r},4~{r})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate
+C[n+]1ccc(cc1)c2cc[n+](cc2)C	KHJ	1,1'-dimethyl-4,4'-bipyridin-1-ium
+c1cc2c(cc1N(=O)=O)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81)C=CC=C36	KHK	ruthenium (bis-(phenanthroline)) (11-nitro-dipyridophenazine)
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O	KHM	(1r,2s)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
+c1cc2c(c(c1)[N+](=O)[OH-])nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=CC=C9)C=CC2=CC=C[N]7=C21)[N]1=C2C(=CC=C1)C=CC1=CC=C[N]8=C12	KHN	ruthenium (bis-(phenanthroline)) (10-nitro-dipyridophenazine)
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O	KHP	4-nitrophenyl alpha-l-arabinofuranoside
+C[C@H](c1ccnc(c1)Nc2[nH]c3ccc(cc3n2)c4cnn(c4)CC5CC5)N6CCN(CC6)C(=O)CC(F)(F)F	KHQ	1-[4-[(1~{r})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{h}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one
+CC(C)(C(=O)NCCSc1ccccc1Cl)S(=O)(=O)c2ccc(cn2)C(F)(F)F	KHS	n-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
+c1cc2c(cc1C(=O)NCC3=CC3)nc([nH]2)Nc4cc(ccn4)CN5CCN(CC5)C(=O)CC(F)(F)F	KHT	~{n}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{h}-benzimidazole-5-carboxamide
+CCC[C@H](c1nnnn1Cc2ccccc2)NN	KHW	[(1~{r})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane
+Cc1ncc(n1C)[C@](c2ccc3c(c2)c(c(c(n3)OC)CN4CCC(CC4)C(F)(F)F)Cl)(c5ccnc(c5)C(F)(F)F)O	KHY	(s)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1h-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol
+C(c1[nH]nnn1)NN	KHZ	1~{h}-1,2,3,4-tetrazol-5-ylmethyldiazane
+c1cc(c(cc1C2(CCN(CC2)C(=O)CCS)O)C(F)(F)F)Cl	KI1	1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one
+c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)NC(=O)OCc2ccccc2	KI2	3-benzyloxycarbonylamino-2-hydroxy-4-phenyl-butyric acid
+Cc1cc(nc2c1c(c(s2)C(=O)c3ccccc3)N)O	KI3	3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol
+Cc1cc(nc(n1)SCCO)C	KI5	2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol
+c1c(cc(c2c1c3c([nH]2)c(c(c(c3Cl)Cl)Cl)O)Cl)Cl	KI9	2,3,4,6,8-pentachloro-9h-carbazol-1-ol
+COC1=CC(=O)C=C(C1=O)OC	KIA	2,6-dimethoxycyclohexa-2,5-diene-1,4-dione
+COc1cc(cc(c1O)OC)O	KIB	2,6-dimethoxybenzene-1,4-diol
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O	KIF	kifunensine
+c1cc(cc(c1)Oc2cc(cc(c2O)O)C(=O)O)[N+](=O)[O-]	KIJ	3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid
+C=CC(=O)[C@H](CO)N	KIK	(4~{s})-4-azanyl-5-oxidanyl-pent-1-en-3-one
+Cc1c2ccc(cc2[nH]n1)N(C)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC	KIM	n~4~-methyl-n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
+c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Oc3ccncc3)C(F)(F)F	KIN	1-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
+c1c(c(cc(c1F)F)F)[C@H]2CC=C(C[C@@H]2N)C(=O)N3CCn4c(nnc4C(F)(F)F)C3	KIQ	(1s,6r)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]carbonyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-amine
+CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CNC2=O)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O	KIR	kirromycin
+c1cc(cc(c1)[N+](=O)[O-])COc2cc(cc(c2)C(=O)O)C(=O)O	KIU	5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid
+CC(C)C(=O)C(=O)O	KIV	3-methyl-2-oxobutanoic acid
+c1cc(cc(c1)[N+](=O)[O-])CNc2cc(cc(c2)C(=O)O)C(=O)O	KIW	5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid
+CCCCCCCCC(=O)NCCCCCCCC(=O)N	KJ1	n-(8-amino-8-oxooctyl)nonanamide
+c1cc(ccc1c2cn[nH]c2c3cc(c(cc3O)O)Cl)OCCCN	KJ2	4-{4-[4-(3-aminopropoxy)phenyl]-1h-pyrazol-5-yl}-6-chlorobenzene-1,3-diol
+[H]/N=C\1/N(C[C@@H](N1CCCC2CCCCC2)CCCN/C(=N/[H])/N)CCN(C)CCn3ccnc3N	KJ4	n-{3-[(2z,4s)-1-(2-{[2-(2-amino-1h-imidazol-1-yl)ethyl](methyl)amino}ethyl)-3-(3-cyclohexylpropyl)-2-iminoimidazolidin-4-yl]propyl}guanidine
+CCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	KJ5	4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
+c1ccc(cc1)C[C@H]2CN=C(N2)N	KJ7	(5s)-5-benzyl-4,5-dihydro-1h-imidazol-2-amine
+CN(C)CCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	KJ8	n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]-n~3~,n~3~-dimethyl-beta-alaninamide
+	KJB	3,3,3-tris(fluoranyl)-1-[4-[(1~{r})-1-[2-[[(2~{s})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{h}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one
+c1cc(ccc1c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F)S(=O)(=O)N	KJD	4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide
+CCC1=C[C@H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC	KJE	18-carboxymethoxy-cleaviminium
+c1ccc(cc1)C2=C(C(=O)C(=C(C2=O)O)c3ccccc3)O	KJG	2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione
+C=C1c2ccccc2C=CC1=O	KJH	1-methylidenenaphthalen-2-one
+Cc1c(cc(c2c1CCCO2)F)c3c4c(nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)CCN(C4)C[C@H]5C[C@H]5c6ccccc6	KJJ	(2~{s})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{h}-chromen-6-yl)-2-methyl-6-[[(1~{s},2~{r})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{h}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O	KJK	(3~{r})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
+C[C@H]1/C=C/C=C(/[C@H]([C@H]([C@@H](/C=C/C(=C\C(=C/[C@@H]([C@@H](/C=C(/C/C=C(/C(=O)O[C@@H]1c2csc(n2)[C@H](CC(C)C)OC(=O)NC)\C)\C)O)C)\C)/C)O)C)OC)\C	KJL	archazolid a
+[H]/N=C(\C1(CCC1)c2cccc(c2)Cl)/N	KJM	1-(3-chlorophenyl)cyclobutane-1-carboximidamide
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(C[C@H]4C)c5cn(c6c5cc(cc6)C(=O)O)C)c7c(nn(c7C)C)C)Cl	KJP	3-[(4r)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1h-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1h)-yl]-1-methyl-1h-indole-5-carboxylic acid
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	KJQ	(2s)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
+CC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	KJR	n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide
+CCCOc1ccc(cc1)CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(noc5C)C	KJS	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1h-benzimidazole
+CC[N+](=C1CCC2CC(C(=O)CC2C1)C(NCCOCCOCCN(C[C@@H]3CCCN(C3)Cc4ccccc4)S(=O)(=O)c5ccc6ccccc6c5)O)CC	KJT	diethyl-[6-[[2-[2-[2-[naphthalen-2-ylsulfonyl-[[(3~{r})-1-(phenylmethyl)piperidin-3-yl]methyl]amino]ethoxy]ethoxy]ethylamino]-oxidanyl-methyl]-7-oxidanylidene-1,3,4,4~{a},5,6,8,8~{a}-octahydronaphthalen-2-ylidene]azanium
+c1cc2c(cc1Cl)NC(=O)CO2	KJU	6-chloro-2h-1,4-benzoxazin-3(4h)-one
+CN(C)CCCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	KJV	4-(dimethylamino)-n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide
+CC(C)[C@@H]([C@H](C(=O)O)N)O	KJW	(d)3-hydroxy-leucine
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C	KJX	(2s,4as,4bs,7r,8s,8as,9r,10ar)-7-[(2r,3r)-7-hydroxy-3,7-dimethyloctan-2-yl]-4a,7,8-trimethyltetradecahydrophenanthrene-2,9-diol
+Cc1cc(c(c(c1C=O)O)C)O	KJY	2,4-dihydroxy-3,6-dimethylbenzaldehyde
+c1ccc2c(c1)cccc2/C=N/N(CC(=O)O)C(=O)CCC(=O)Nc3ccccc3Cl	KJZ	[(2e)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid
+CCCCCCCCNc1cc(nc(n1)N)c2ccc(cc2)OC	KK1	6-(4-methoxyphenyl)-n~4~-octylpyrimidine-2,4-diamine
+c1cc(ccc1c2cc(nc(n2)N)N3CCOCC3)C(F)(F)F	KK2	4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
+CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F	KK3	4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
+CCCc1nc2c(cccc2n1Cc3ccc\4c(c3)COc5ccccc5/C4=C(\C)/C6=NOC(=O)N6)C	KK4	3-[(1e)-1-{8-[(4-methyl-2-propyl-1h-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6h)-ylidene}ethyl]-1,2,4-oxadiazol-5(4h)-one
+O=[W]1234O[Zn]56O[W]78(=O)(O1)O2[P@@]91=O2%10=[W]%11%12(=O[W]22%13(=O)O[W]%10(=O)(O7)(O%11)O[W]7%10(=O)(O8)O98[W]9(=O)(O5)(O7)O[W]57(=O)(O6)O11[W](=O)(O3)(O5)(O%12)O[W]1(=O)(O7)(O2)O[W]8(=O)(O9)(O%13)O%10)(=O)O4	KK5	zn-substituted alpha-keggin
+COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5N(C4=O)c6ccc(c(c6)C#N)F	KK6	5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4h-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile
+Cn1cnnc1c2cccc(c2)NC(=O)c3ccccn3	KK7	n-[3-(4-methyl-4h-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
+c1cc(cc(c1)NC(=O)c2cc(ccn2)c3cccnc3)c4nncn4C5CC5	KK8	n-[3-(4-cyclopropyl-4h-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
+CCC(=O)Nc1ccc(c(c1)Oc2ccc(cc2)Cl)C	KK9	n-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide
+C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CCS)C(=O)O	KKA	(2s)-2-azanyl-6-oxidanylidene-6-[[(2s)-1-oxidanyl-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]hexanoic acid
+CC(=O)N[C@@H](CC(=O)O)C(=O)O	KKD	n-acetyl-l-aspartic acid
+[B+]1(c2cc(ccc2CO1)NC(=S)Nc3ccccc3)(O)O	KKE	1-[1,1-bis(oxidanyl)-3~{h}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea
+c1cc(ccc1/C=C/C(=O)N2CCC3(CC2)CN(C(=O)O3)Cc4ccc(c(c4)Cl)Cl)Cl	KKF	8-[(2e)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
+c1ccc2c(c1)C(=O)N(C=N2)CC(=O)O	KKG	(4-oxoquinazolin-3(4h)-yl)acetic acid
+B1(c2cc(ccc2CO1)NC(=O)Nc3ccccc3)(O)O	KKH	1-[1,1-bis(oxidanyl)-3~{h}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea
+CCCCCC[C@@H]([C@@H](CCCCCC)O)C(=O)O	KKJ	(2s,3r)-2-hexyl-3-hydroxynonanoic acid
+CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl	KKK	1-acetyl-4-(4-{[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
+C#Cc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)N	KKL	4-amino-n-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
+C[C@@H](CO)NC(=O)c1cnn2c1nc(cc2O)c3ccccc3	KKM	7-hydroxy-n-[(2s)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC1=C2C=COC=C2OC1=O	KKN	3-methyl-2h-furo[2,3-c]pyran-2-one
+CNC(=O)c1cnn2c1nc(cc2O)c3ccccc3	KKP	7-hydroxy-n-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(c(c1)C(=O)N2CCN(CC2)Cc3c(nc4n3cccc4)c5ccc(cc5)Br)F	KKQ	[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
+CC(=CC(=O)CCC(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6)C	KKR	1-[4-[[2-(1h-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione
+c1ccc2c(c1)cccc2CC3=C(NC(=O)C(=C3)O)c4ccc(cc4)c5[nH]nnn5	KKS	3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1h-tetrazol-5-yl)phenyl]pyridin-2(1h)-one
+CCCCS(=O)(=O)N(C)C1=C(N(C(=O)NC1=O)Cc2ccccc2)N	KKT	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbutane-1-sulfonamide
+c1cc(ccc1C2=C(NC(=O)C(=C2)O)c3ccc(cc3)F)C(=O)O	KKV	4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3C	KKY	6-[2-(3-fluoro-5-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+c1ccn2c(c1)nc(c2CN3CCN(CC3)C(=O)c4cccc(n4)OC(F)(F)F)c5ccc(cc5)Cl	KKZ	[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C	KL1	6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[V](O4)(O)(O)O)N	KL2	adenosine-2',3'-vanadate
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3	KL4	6-[2-(3-fluoro-5-{2-[(2s)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+[B-]1(c2cc(ccc2CO1)NC(=S)NCc3ccccc3)(O)O	KL5	1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea
+Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F	KL7	6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine
+[B-]1([C@@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O	KL8	(3~{s})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F	KLA	6-[2-(3-fluoro-5-{2-[(2r,4s)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+[H]/N=C(\c1cc(c(s1)c2cnc[nH]2)c3ccccc3)/N	KLB	5-(1~{h}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F	KLD	6-[2-(3-fluoro-5-{2-[(2r,4s)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+[H]/N=C(\c1ccc(s1)c2ccccc2)/N	KLE	5-phenylthiophene-2-carboximidamide
+c1ccc(cc1)CCS(=O)(=O)NCC(=O)NO	KLG	n-hydroxy-n~2~-[(2-phenylethyl)sulfonyl]glycinamide
+c1ccc(cc1)CCS(=O)(=O)N2CCC[C@@H]2C(=O)NO	KLH	n-hydroxy-1-[(2-phenylethyl)sulfonyl]-d-prolinamide
+CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4F)C(F)(F)F)c5nc(on5)Cc6ccccc6	KLI	3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1h)-one
+COc1ccc(cc1)CCS(=O)(=O)NCC(=O)NO	KLJ	n-hydroxy-n~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide
+Cc1c2c(c([nH]1)C(=O)NC)CCCCC2=O	KLK	~{n},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=O)N3)c4ccc5c(c4)CCC5)O	KLM	8-(2,3-dihydro-1h-inden-5-yl)-2-({4-[(2s)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione
+CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl	KLN	1-acetyl-4-(4-{[(2s,4r)-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
+Cc1cccc(c1CNC2=C3C=C4C=C(C(=CC4=C3N=N2)OC)NS(=O)(=O)C)C	KLP	n-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide
+c1c(cc(c(c1F)CNC(=O)C2=CN3C[C@@H]4N([C@H]5CC[C@H](C5)O4)C(=O)C3=C(C2=O)O)F)F	KLQ	bictegravir
+CNC(=O)NC(=N)Nc1ccccc1	KLS	1-methyl-3-(n-phenylcarbamimidoyl)urea
+c1ccc2c(c1)C(=O)N[C@@]2(c3ccc(c(c3)S(=O)(=O)N)Cl)O	KLT	2-chloro-5-[(1s)-1-hydroxy-3-oxo-2h-isoindol-1-yl]benzenesulfonamide
+CC1=CC(=O)Oc2c1ccc(c2)OP(=O)(O)O	KLV	4-methylumbelliferyl phosphate
+c1ccc(c(c1)C(=O)N)C(=O)O	KLW	2-carbamoylbenzoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC	KLY	6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
+[H]/N=C(\c1cc2c(s1)cc(cc2Cl)CS)/N	KLZ	4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
+c1ccc(cc1)COc2ccc(c3c2nccc3)Cl	KM0	8-(benzyloxy)-5-chloroquinoline
+c1cc(cc(c1)Cl)COc2ccc(c3c2nccc3)Cl	KM1	5-chloro-8-[(3-chlorobenzyl)oxy]quinoline
+[H]/N=C(\c1cc2cccc(c2s1)N[C@@H](C)CN)/N	KM2	7-[[(2~{s})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide
+c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	KM3	{n-(4-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}butyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
+CCN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC	KM5	methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCN(C)C	KM7	6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
+[H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)CC)/N	KM8	~{n}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3	KMA	6-[2-(3-fluoro-5-{2-[(2r)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+c1ccc(cc1)SCc2cc(cc3c2N=C(NC3=O)N)CN	KMB	2-amino-6-aminomethyl-8-phenylsulfanylmethyl-3h-quinazolin-4-one
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3C	KMD	6-[2-(3-fluoro-5-{2-[(2r)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+C/C=C/O[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)OC)O)O)C(=O)O	KME	(1e)-prop-1-en-1-yl 3-deoxy-7-o-methyl-alpha-d-manno-oct-2-ulopyranosidonic acid
+CCCCS(=O)(=O)Nc1ccc2c(c1)c([nH]n2)C	KMG	n-(3-methyl-2h-indazol-5-yl)butane-1-sulfonamide
+C[C@@H](CC(=O)CC(=O)O)N	KMH	(5s)-5-amino-3-oxo-hexanoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C)F	KMJ	6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine
+COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(CCCO)Cc3cnc4c(n3)c(nc(n4)N)N	KMK	methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate
+Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F	KMM	6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)C#C)C#CCOc3ccccc3	KMN	2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol
+c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O	KMP	3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one
+C/C=C/CO[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	KMQ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{s})-4-[(~{e})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C	KMS	6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
+CSCCC(=O)C(=O)O	KMT	4-(methylsulfanyl)-2-oxobutanoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C#CCNC	KMV	6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
+c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N	KMW	3-(4-aminocarbonylphenoxy)benzamide
+c1ccc2c(c1)c(c(s2)C(=O)NO)Cl	KMY	3-chlorobenzothiophene-2-carbohydroxamic acid
+c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O	KN0	4-[1-benzyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	KN1	4-[1-allyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+c1cc2c(cc1O)[nH]nc2c3ccc(cc3O)O	KN2	4-(6-hydroxy-1h-indazol-3-yl)benzene-1,3-diol
+CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C	KN3	4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@@H]3CCCN3C	KN4	6-[2-(2,3-difluoro-5-{2-[(2r)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC	KN9	n-[2-[[[3-(4'-chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-n-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide
+CCCCCCCCC(=O)O	KNA	nonanoic acid
+CS(=O)(=O)C[C@@H](C(=O)O)N	KNB	3-(methylsulfonyl)-l-alanine
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N	KNC	kanamycin c
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3COCCN3C	KND	6-[2-(2,3-difluoro-5-{2-[(3s)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C\CC[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)O[C@H]5C[C@H]6[C@@H]([C@H](O5)C)OCO6)C)OC(=O)C)C)O)C)O)[C@H](C)OC(=O)C(C)(C)CC(=O)O)/C)O)O	KNG	kanglemycin a
+CCC[C@H]1C(=O)NC[C@H](C[C@@H]([C@@H](CC/C(=C/C=C\[C@@H](CCCC(=O)CCCC[C@H](C[C@@H](C(=O)O1)C)C)CC)/COC)O)O)O	KNH	myxovirescin a
+CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O	KNI	(4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-s-methyl-l-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
+Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)NCC(=C)C)(C)C)O)C)N	KNJ	(4r)-3-[(2s,3s)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-n-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide
+c1cc(c(c(c1)Cl)OCC(=O)O)Cl	KNL	(2,6-dichlorophenoxy)acetic acid
+CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(C1)CC(C3)C2	KNM	ada-(ahx)3-(leu)3-vinyl sulfone
+Cc1ccccc1CN	KNN	1-(2-methylphenyl)methanamine
+c1cc(c(c(c1)F)OCC(=O)O)F	KNP	(2,6-difluorophenoxy)acetic acid
+CCO[C@@H]1C[C@@H](N(C1)C)CCc2cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C	KNS	6-[2-(5-{2-[(2s,4r)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine
+c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3OC(=CC4=O)c5[nH]nnn5	KNT	pranlukast
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C	KNV	6-[2-(2,3-difluoro-5-{2-[(2s)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+c1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3)OCCCCc4cc(ccc4Cl)F	KNW	(2~{s})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid
+c1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3F)OCCCCOc4cccc(c4F)F	KNZ	(2~{s})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
+C([C@H]([C@@H]1[C@@H]([C@@H]([C@@H]([C@@](O1)(C(=O)O)O)O)O)O)O)O	KO1	d-glycero-alpha-d-talo-oct-2-ulopyranosonic acid
+C=CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)O)C(=O)O	KO2	prop-2-en-1-yl d-glycero-alpha-d-talo-oct-2-ulopyranosidonic acid
+[OH2][K]([OH2])([OH2])[OH2]	KO4	potassium ion, 4 waters coordinated
+Cc1ccc(cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3O[C@@H](CN4CCCC(=O)O)C(=O)O)F	KO5	(2~{s})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid
+c1cc(ccc1NC(=S)NNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])F	KOB	2-(2,4-dinitrophenyl)-n-(4-fluorophenyl)hydrazinecarbothioamide
+c1cc(cc(c1)Br)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	KOE	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+c1cc(c(cc1c2[nH]ccn2)Cl)OCCC(=O)O	KOH	3-[2-chloranyl-4-(1~{h}-imidazol-2-yl)phenoxy]propanoic acid
+C1=C(OC=C(C1=O)O)CO	KOJ	5-hydroxy-2-(hydroxymethyl)-4h-pyran-4-one
+c1ccc2c(c1)CCN2C(=O)n3ccnn3	KOK	(2,3-dihydro-1h-indol-1-yl)(1h-1,2,3-triazol-1-yl)methanone
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O	KOL	(4r,5s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid
+c1ccc(cc1)C2=CC(=O)Oc3c2ccc(c3O)O	KOM	7,8-dihydroxy-4-phenyl-2h-chromen-2-one
+c1cc(cc(c1)I)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	KON	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+COP(=O)(O)O	KOP	methyl dihydrogen phosphate
+c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O)F	KOQ	(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
+C(CSN[S@](=O)C[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	KOR	l-homocysteine-s-n-s-l-cysteine
+C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)\C)OC)OC(=O)N)/C)C)O)OC	KOS	17-desmethoxy-17-n,n-dimethylaminoethylamino-geldanamycin
+c1ccc(cc1)c2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KOT	1-beta-d-glucopyranosyl-4-phenyl-1h-1,2,3-triazole
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)C(=O)O)O	KOU	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-serine
+CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O	KOV	(6r,7r)-3-[(carbamoyloxy)methyl]-7-{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O	KOW	(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
+c1ccc(c(c1)C(=O)CCc2cccc(c2)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)O	KOY	5'-o-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine
+c1cc(cc(c1)Cl)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	KOZ	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CC(C)(CC(C)(C)O)O	KP1	2,4-dimethylpentane-2,4-diol
+c1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N	KP2	5-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+Cc1c2c(c(c(c1OC)C/C=C(\C)/Cn3cc(nn3)COC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)C(=O)OC2	KP3	5'-o-({1-[(2e)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1h-1,2,3-triazol-4-yl}methyl)adenosine
+c1ccc(c(c1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O)F	KP5	(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
+Cc1c(c(n(n1)C)C)CCO	KP6	2-(1,3,5-trimethyl-1h-pyrazol-4-yl)ethanol
+c1ccc(cc1)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	KP8	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+C(CC(=O)C(=O)O)CP(=O)(O)O	KPA	2-oxo-5-phosphonopentanoic acid
+c1cc(cc(c1)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)F	KPB	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CC(=O)CSCCS(=O)(=O)O	KPC	(2-[2-ketopropylthio]ethanesulfonate
+C(CC/N=C(\CF)/C(=O)O)C[C@@H](C(=O)O)N	KPF	n-(1-carboxy-2-fluoro-ethenyl) lysine
+C(C(=O)[C@H]([C@@H]([C@@H](C(O)O)O)O)O)OP(=O)(O)O	KPG	[(3s,4r,5s)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate
+C(CCN)C[C@H](N)P(=O)(O)O	KPH	[(1r)-1,5-diaminopentyl]phosphonic acid
+C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	KPI	(2s)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCCN3C	KPJ	6-[2-(2,3-difluoro-5-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+Cc1cccc2c1c(cs2)Cn3c4ccccc4nc3SCCCC(=O)O	KPK	4-({1-[(4-methyl-1-benzothiophen-3-yl)methyl]-1h-benzimidazol-2-yl}sulfanyl)butanoic acid
+CC(C)(CO)C(=O)C(=O)O	KPL	ketopantoate
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@H]3[C@H](O2)CO[C@](O3)(C)C(=O)O)O)NC(=O)C)O	KPM	2-(acetylamino)-4-o-{2-(acetylamino)-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl}-2-deoxy-beta-d-glucopyranose
+c1ccnc(c1)c2ccc(cn2)CC(=O)N(CCN)CC(=O)O	KPN	n-(2-aminoethyl)-n-(2,2'-bipyridin-5-ylacetyl)glycine
+C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F	KPQ	1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide
+C[C@@H](C(=O)/C=C/OP(=O)(O)O)N	KPR	[(~{e},4~{s})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate
+C1=C(C(=O)NC(=O)N1)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	KPS	pseudouridine 5'-phosphate, linear
+c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2	KPT	6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium
+c1ccc(cc1)CCCC(=O)C(=O)O	KPV	5-phenyl-2-keto-valeric acid
+Cc1cccc(n1)c2c(c3n(n2)CC(C3)(C)C)c4ccnc(c4)Nc5ccc(cc5)S(=O)(=O)N	KPW	4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide
+C/C(=N\CCSC[C@@H](C(=O)O)N)/C(=O)O	KPY	(2r)-2-azanyl-3-[2-[(e)-(1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]ethylsulfanyl]propanoic acid
+Cc1ccc(cc1NC(=O)c2ccc(nc2)NCC[C@@H]3CCC[N@]3C)NC(=O)c4ccnc(c4)N5CCOCC5	KQ7	n-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide
+C[C@@H]1[C@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	KQ8	(2~{r},3~{r})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{s},5~{s})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{h}-pyrrole-5-carboxylic acid
+[O][Mg](F)(F)F	KQB	trifluoromagnesate monohydrate
+c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)[C@@H]3CN(C[C@H]3C(=O)N[C@H]4C[C@@H]4c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7C[C@H]([C@@H](C7)C(=O)N[C@H]8C[C@@H]8c9ccccc9)C(=O)N[C@H]1C[C@@H]1c1ccccc1	KQD	(3s,4s,3's,4's)-1,1'-(1,4-phenylenedicarbonyl)bis{n~3~,n~4~-bis[(1s,2r)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de}
+c1cc(cc(c1)OC(F)(F)F)c2cnc3n2nc(cc3)c4ccncc4	KQE	6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine
+CN(C)c1nccc(n1)c2cnn3c2cccn3	KQK	~{n},~{n}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+[H]/N=C(/C1(CCC1)c2cc(cc(c2)Cl)c3ccc(cc3)C(C)(C)O)\N	KQP	1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide
+CC1(CCN(c2c1cc(c(c2)Nc3nc4c(cc[nH]4)c(n3)Nc5ccsc5C(=O)N)OC)C(=O)CN(C)C)C	KQQ	3-[(2-{[1-(n,n-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide
+C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F	KQS	(3s)-3-(2-fluorophenyl)-n-((2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)methyl)butanamide)
+COc1ccc2c(c1OC)c[n+]3c(c2CCCc4ccncc4)-c5cc6c(cc5CC3)OCO6	KQT	berberine
+CC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(c5ccccc5)c6ccccc6	KQV	[(2-{[(5s,8s,10ar)-3-acetyl-8-({(2s)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1h-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
+CN(c1nccc(n1)c2cnn3c2cccn3)C4CC4	KQW	~{n}-cyclopropyl-~{n}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+C(CCC(=O)N)CCN	KQY	6-aminohexanamide
+CN(C)c1nccc(n1)c2c[nH]c3c2cccn3	KQZ	~{n},~{n}-dimethyl-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
+[Kr]	KR	krypton
+CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC	KR0	3-decanoyloxypropyl decanoate
+Cc1cc(cc(c1)C(=O)C2=C(C(=O)NC(=O)N2Cc3cc(nc(c3)F)N)C(C)C)C#N	KR1	3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile
+c1ccc(cc1)C(=O)N2CCCCCN2C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N	KR2	(2r)-4-(2-benzoyl-1,2-diazepan-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine
+CCc1nc(nc(n1)Nc2ccc(cc2)CCO)c3cccc(c3)Cl	KR4	2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
+Cc1cc(n(n1)C(=O)CCNc2ccc(cc2)S(=O)(=O)N)C	KR5	4-{[3-(3,5-dimethyl-1h-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide
+c1cc(cc(c1)Cl)c2cc(cc(n2)C(F)(F)F)Cc3ccc(cc3)CC(=O)O	KR7	(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid
+CN(c1ccccc1)c2nccc(n2)c3cnn4c3cccn4	KR8	~{n}-methyl-~{n}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+c1ccc(cc1)CC(=O)C(=O)Cc2ccc(cc2)O	KRA	kurasoin a
+c1ccc(cc1)CC(=O)C(=O)Cc2c[nH]c3c2cccc3	KRB	kurasoin b
+CCc1ccc2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC	KRC	(9as)-8-acetyl-n-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
+CCc1nc(nc(n1)Nc2ccc(cc2)CC(=O)N)c3cccc(c3)Cl	KRD	2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide
+COc1cc(cc(c1)NS(=O)(=O)C)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4	KRE	~{n}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide
+CCOc1cc(cc(c1)C(=O)O)c2c(noc2C)C	KRG	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid
+CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5cncn5C)C(=O)N(C1=O)C	KRH	5-methyl-3-(1-methyl-1h-imidazol-5-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-2h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
+C(CSC[C@H]([C@H](C(=O)CO)O)O)[C@@H](C(=O)O)N	KRI	(s)-2-amino-4-[(2s,3r)-2,3,5-trihydroxy-4-oxo-pentyl]mercapto-butyric acid
+c1cc(c(cc1C2CCNCC2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	KRJ	4-cyano-n-(2-cyclohex-1-en-1-yl-4-piperidin-4-ylphenyl)-1h-imidazole-2-carboxamide
+c1cc2c(cnn2nc1)c3ccnc(n3)N4CC[C@@H](C4)F	KRK	3-[2-[(3~{s})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
+CN1CCN(CC1)c2ccc(c(c2)N3CCCCC3)NC(=O)c4ccc(o4)C#N	KRL	5-cyano-n-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
+c1ccc(cc1)Oc2ccc(cc2)c3cc(n[nH]3)N4CCOCC4	KRM	4-[5-(4-phenoxyphenyl)-1h-pyrazol-3-yl]morpholine
+Cc1cc(ccc1F)CCC2=C(NC(=O)NC2=O)C(=O)O	KRO	5-[2-(4-fluoro-3-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C	KRP	3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile
+CNc1nccc(n1)c2cnn3c2cccn3	KRQ	~{n}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+C[C@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	KRS	cladosporin
+B(c1cccc(c1)/C=C/C(=O)O)(O)O	KRT	(~{e})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid
+CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C	KRV	3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
+c1cc2cc(ccc2nc1)Cn3c4c(ncc(n4)c5cnn(c5)CCO)nn3	KRW	2-{4-[1-(quinolin-6-ylmethyl)-1h-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]-1h-pyrazol-1-yl}ethanol
+COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F	KRX	6-(3-methoxyphenyl)-n-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
+c1cc(ccc1N2C=CN(C2=O)c3ccc(cc3F)F)S(=O)(=O)N	KRY	4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]benzene-1-sulfonamide
+c1cc(ccc1C(=O)NCCC(=O)N[C@@H](CCNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)I	KRZ	(2~{s})-2-[[(3~{s})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid
+c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N	KS1	1-cyclopentyl-3-(1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KS2	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
+c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	KS3	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{h}-1,2,4-triazol-5-yl)oxane-3,4,5-triol
+COc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC4)N	KS4	1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N	KS5	1-(1-methylethyl)-3-quinolin-6-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1cc(ccn1)N2CCC3(CC2)CN(CCN3C)c4nc(no4)c5cc(cc(c5)OC)OC	KS7	4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane
+c1ccc(cc1)CCCCP(=O)(CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3)O	KS8	fosinoprilat
+C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O	KSA	k-252a
+c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N	KSB	lambda-[ru(tap2-dppz-cn]2+
+Cc1cc(n2c(n1)c(c(n2)Nc3ccc(cc3)OC)C(=O)N)NCC4CC4	KSC	7-[(cyclopropylmethyl)amino]-2-[(4-methoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CN[C@H](C)C(=O)O)OC	KSD	n-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-d-alanine
+Cc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)NCC(C)(C)N	KSE	7-[(2-amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(cc1)c2cnc(c3n2cnc3)Nc4ccccc4Cl	KSF	n-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
+[H]/N=C(/C(=O)O)\N[C@H]1C[C@@H]([C@H](O[C@@H]1C)OC2[C@H]([C@H](C([C@@H]([C@H]2O)O)O)O)O)N	KSG	(1s,2r,3s,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-{[carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-d-arabino-hexopyranoside
+CCc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)N4CCC[C@@H]4CO	KSH	2-[(3,5-dimethoxyphenyl)amino]-5-ethyl-7-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(c(c1)C(=O)[C@@H]2CCC[C@H]2CC(=O)O)O	KSJ	[(1s,2r)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid
+CC(C)(CNc1cc(nc2n1nc(c2C(=O)N)Nc3cc(cc(c3)OC)OC)C4CC4)N	KSK	7-[(2-amino-2-methylpropyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1cccc(c1Nc2c3cncn3c(cn2)c4ccccc4)C	KSL	n-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
+Cc1cccc(c1Nc2c3cncn3c4cc(ccc4n2)N5CCN[C@H](C5)C)Cl	KSM	n-(2-chloro-6-methylphenyl)-8-[(3s)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine
+C(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C(=O)O)N	KSN	(2~{s})-2-[[(4~{s})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
+c1ccc(c(c1)C(=O)[C@H]2CCC[C@@H]2CC(=O)O)O	KSP	[(1r,2s)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid
+Cn1cc(c2c1ccc(c2)OC)c3cc4c([nH]3)nccn4	KSR	6-(5-methoxy-1-methyl-1h-indol-3-yl)-5h-pyrrolo[2,3-b]pyrazine
+CCSc1nc(cc2n1ccn2)c3ccc(c(c3)OC)OC	KSS	7-(3,4-dimethoxyphenyl)-5-(ethylsulfanyl)imidazo[1,2-c]pyrimidine
+c1c(csc1C(=O)O)NCCCC[C@@H](C(=O)O)N	KST	n~6~-(5-carboxy-3-thienyl)-l-lysine
+CCOP(=O)(O)OC[C@@H](CO)O	KSV	(2r)-2,3-dihydroxypropyl ethyl hydrogen (s)-phosphate
+CC1=CC=CC1=O	KSW	2-methylcyclopenta-2,4-dien-1-one
+c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O	KSY	4-{[3-(3-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)NCCCNC(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC	KSZ	~{tert}-butyl ~{n}-[3-[2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate
+COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O	KT1	4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O	KT2	2-azanyl-9-[(1~{r},6~{r},8~{r},9~{r},10~{s},15~{r},17~{r},18~{r})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{h}-purin-6-one
+c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	KT3	n-{4-4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)-but-2-yl-benzoyl}-gamma-glutamyl-gamma-glutamyl-glutamic acid
+c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O	KT4	4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	KT5	n-{4-4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)-but-2-yl-benzoyl}-gamma-glutamyl-gamma-glutamyl-gamma-glutamyl-gamma-glutamyl-glutamic acid
+c1cc2c(cc1O)C(=O)NC2=O	KT7	5-hydroxy-1h-isoindole-1,3(2h)-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)F)N	KT8	2'3'-cyclic-gmp-2'f-2'damp
+C1C[C@@H](CC(=O)C1)CC(=O)O	KTA	(s)-cyclohexanone-2-acetate
+C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O	KTB	neugc gm3
+CCCCCCCCC(=O)CCCCCCCCC(=O)O	KTC	10-oxooctadecanoic acid
+c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3	KTD	1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@H]([C@H](CO)O)O)O)O)O	KTE	(2~{s},3~{r})-4-[(2~{r},3~{s},4~{s},5~{r})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol
+c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O	KTG	4-{[3-(4-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+c1csc(n1)C=O	KTH	2-ketothiazole
+c1cc(ccc1c2c[nH]nc2N)O	KTJ	4-(3-amino-1h-pyrazol-4-yl)phenol
+c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3O)O)O	KTK	4-[3-amino-4-(4-hydroxyphenyl)-1h-pyrazol-5-yl]benzene-1,3-diol
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O	KTL	(1s,2r,3r,4s)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
+c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O	KTM	4-{[(2-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione
+CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl	KTN	cis-1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine
+c1ccc2c(c1)[C@]([C@H](N2)O)(C[C@@H](C=O)N)ON3[C@@H]4CCC[C@H]3CC(=O)C4	KTO	(2~{s})-2-azanyl-3-[(2~{r},3~{s})-2-oxidanyl-3-[[(1~{s},5~{r})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanal
+c1ccc2cc(ccc2c1)C(=O)[C@@H](c3cccc4c3cccc4)P(=O)(O)O	KTP	(2-naphthalen-2-yl-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid
+COc1ccc(cc1)CCNc2c(nc3n2cccc3)c4ccc(cc4)[N+](=O)[O-]	KTQ	~{n}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
+c1ccc(cc1)C(=O)c2ccc3n2CC[C@H]3C(=O)O	KTR	(1r)-5-benzoyl-2,3-dihydro-1h-pyrrolizine-1-carboxylic acid
+C=CCO[C@@]1(C[C@H](C=C(O1)[C@@H](CO)O)O)C(=O)O	KTU	prop-2-en-1-yl 3,5-dideoxy-alpha-d-threo-oct-5-en-2-ulopyranosidonic acid
+c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O	KTV	4-{[(3-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione
+[H]/N=C(\c1cc2c(s1)cccc2Cl)/N	KTW	4-chloranyl-1-benzothiophene-2-carboximidamide
+CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4	KTZ	n4,n4-dimethyl-5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cncc4Cl)Cl)O	KU0	2-[(2s)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide
+c1ccc2c(c1)C(=O)C(=NN2)C(=O)NCC(=O)O	KU1	n-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine
+c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O	KU2	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide
+CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F	KU3	(5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone
+c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CCc4ccccc4Cl)O	KU4	2-{(2s)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O	KU5	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4F)O	KU7	2-{(2s)-1-[(2-fluorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide
+c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCCNCC4)F	KU8	4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2h)-one
+c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O	KU9	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-(2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide
+c1ccc2c(c1)nc(o2)c3ccc(cc3)C(=O)N4CCN(CC4)C(=O)C5(CC5)O	KUA	{4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone
+C[C@@H](c1cc(ccc1F)F)Nc2cc(c(cc2Cl)S(=O)(=O)Nc3cscn3)F	KUB	4-[[(1~{s})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{n}-(1,3-thiazol-4-yl)benzenesulfonamide
+c1ccc(cc1)C(=O)[C@@H]2CCC[C@H]2CC(=O)O	KUD	[(1s,2r)-2-(benzenecarbonyl)cyclopentyl]acetic acid
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCCC4	KUE	~{n}-[5-(azocan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+Cc1ccc2c(c1)C(=O)NC=C2	KUF	7-methyl-2h-isoquinolin-1-one
+c1ccc(cc1)C(=O)[C@H]2CCC[C@@H]2CC(=O)O	KUG	[(1r,2s)-2-(benzenecarbonyl)cyclopentyl]acetic acid
+CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)OC	KUH	~{n}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+C[C@@H]1CCC[C@H]2[C@H]1[C@@H](/C(=C\3/C(=O)COC3=O)/O[C@@H]2/C(=C/[C@H](C)CC[C@@H](/C=C/[C@H](C)[C@H]4[C@H](C[C@@H](O4)[C@H](C)OC)C)O)/CO)C	KUJ	(3e)-3-{(1s,4s,4as,5r,8as)-1-[(2e,4r,7s,8e,10s)-1,7-dihydroxy-10-{(2r,3s,5r)-5-[(1s)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3h-2-benzopyran-3-ylidene}oxolane-2,4-dione
+c1cc(ncc1NC(=O)NC2C(=NC(=NC2=O)N)N)C(=O)N[C@@H](CCc3[nH]nnn3)C(=O)O	KUK	(2~{s})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{h}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{h}-1,2,3,4-tetrazol-5-yl)butanoic acid
+COc1cc(cc(c1OC)OC)C(=O)c2cnc([nH]2)c3c[nH]c4c3cccc4	KUM	[2-(1h-indol-3-yl)-1h-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
+c1c(cnc(c1F)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O)NC(=O)CC2C(=NC(=NC2=O)N)N	KUN	(~{e},4~{s})-4-[[5-[2-[2,4-bis(azanyl)-6-oxidanylidene-5~{h}-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]car bonylamino]pent-2-enedioic acid
+COc1ccc(cc1OC)Cc2cnc(nc2N)N	KUP	5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
+c1ccc(cc1)c2[nH]cc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KUQ	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-phenyl-1~{h}-imidazol-4-yl)oxane-3,4,5-triol
+C(CCCCCCCCC(=O)O)CCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(=O)O	KUT	kut [2-(2-[2-(2-[2-(octadecandioyl-gamma-glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]
+Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CC[C@H]([C@@H](CC4)F)N	KUV	5-amino-n-{5-[(4r,5r)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1h-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(cc(cn4)CC(=O)O)Cl	KUW	2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid
+Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CCC[C@@H](CC4)N	KUY	5-amino-n-{5-[(4s)-4-aminoazepan-1-yl]-1-methyl-1h-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
+CCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC	KV1	n-((3r,5s)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1h-pyrazole-5-carboxamide
+c1cc(ccc1CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)c5ccc(cc5)Cl	KV4	5'-s-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine
+c1ccc2cc(ccc2c1)c3[nH]cc(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	KV5	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{h}-imidazol-4-yl)oxane-3,4,5-triol
+c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCOCC6	KV9	7-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]-n-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
+c1ccc(cc1)Cc2cnc3c(c2c4cccc(c4)OCc5ccc(cc5)CC(=O)O)cccc3C(F)(F)F	KVB	2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(n4cc(ccc4n3)C#N)-c5cnc(c(n5)O1)N)C)F	KVC	(5r)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile
+c1ccc(cc1)C#Cc2cc(cnc2)C(=O)O	KVD	5-(phenylethynyl)pyridine-3-carboxylic acid
+c1ccc2cc(ccc2c1)c3csc(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	KVE	(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol
+c1ccc2cc(ccc2c1)c3nc(cs3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	KVH	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol
+[H]/N=C(/N)\NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC(=O)[C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C	KVI	(2s)-2-{[(2r,5s)-5-{[(2s,3s)-2-{[(2s,3r)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-n~1~-[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide
+CC(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCCc3cccc(n3)S(=O)(=O)N)O	KVK	6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{h}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide
+C1[C@@H](C(=O)N(C1=O)O)P(=O)(O)O	KVM	[(3s)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid
+c1ccc(cc1)c2nnn(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KVN	(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol
+C[N+](C)(C)C[C@H](O)P(=O)(O)O	KVP	(2r)-2-hydroxy-n,n,n-trimethyl-2-phosphonoethan-1-aminium
+c1ccc(cc1)c2nc(cs2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KVQ	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC([C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C)(O)O	KVS	n~2~-[(2r,5s)-5-({(2s,3s)-2-[(n-acetyl-l-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-l-glutaminyl-l-argininamide
+Cc1ccc(cc1S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C	KVT	~{n}-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
+C[N+](C)(C)CCP(=O)(O)O	KVV	n,n,n-trimethyl-2-phosphonoethan-1-aminium
+c1ccc(cc1)c2csc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KVW	(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol
+CNC(=O)CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)N	KVY	4-amino-1-methyl-n-{1-methyl-5-[(1-methyl-5-{[3-(methylamino)-3-oxopropyl]carbamoyl}-1h-pyrrol-3-yl)carbamoyl]-1h-pyrrol-3-yl}-1h-pyrrole-2-carboxamide
+CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CN2C(=O)[C@]3(CCCc4c3cccc4)NC2=O	KVZ	2-[(4~{r})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{h}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{n}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide
+Cc1c(c(no1)NC(=O)CSCC(=O)O)Br	KW1	({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid
+C[C@H]1CCCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)CNC3=O	KW5	2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{n}-[4-bromanyl-3-[(3~{s})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide
+COC(=O)c1c(c(c[nH]1)c2ccccc2F)N	KW7	methyl 3-amino-4-(2-fluorophenyl)-1h-pyrrole-2-carboxylate
+CC[C@H]1c2c(c3ccccc3[nH]2)CCN1	KW8	(1~{s})-1-ethyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+CNCc1ccc(o1)c2cc(cc(c2)Cl)Cl	KWA	1-[5-(3,5-dichlorophenyl)furan-2-yl]-n-methylmethanamine
+c1cc(c(cc1C2CCCCC2)C(=O)[O-])O	KWB	5-cyclohexyl-2-hydroxybenzoate
+c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl	KWD	2-cyano-~{n}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide
+c1ccc(cc1)CCCCNC2=C(C(=O)N(C2=O)Cc3ccccc3)Cc4ccccc4	KWE	3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione
+c1ccc(cc1)C#Cc2cccc(c2n3cccc3)C(=O)O	KWG	3-(phenylethynyl)-2-(1h-pyrrol-1-yl)benzoic acid
+CCC[C@H]1c2c(c3ccccc3[nH]2)CCN1	KWH	(1~{s})-1-propyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3ccc4c(c3)NNC4=O)CC#C	KWJ	(7r)-7-methyl-2-[(3-oxo-2,3-dihydro-1h-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+CC(C)CCNCCc1c[nH]c2c1cccc2	KWK	~{n}-[2-(1~{h}-indol-3-yl)ethyl]-3-methyl-butan-1-amine
+Cc1cc2c(cc1C)N(CNC(=O)NC(=O)C[C@H](C[C@H](N2)O)c3ccccc3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	KWM	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[(9~{s},11~{r})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+C[C@@H]1CC[C@@H]([C@@H]([C@H]1C(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cc4F)F)F)C	KWN	(1~{s},2~{s},3~{s},6~{r})-2-[[2-[5,7-bis(fluoranyl)-1~{h}-indol-3-yl]-5-fluoranyl-pyrimidin-4-yl]amino]-3,6-dimethyl-cyclohexane-1-carboxylic acid
+c1cc(c(cc1N2C[C@@H](C(=N2)NC(=O)c3ccncc3)CCO)Cl)Cl	KWP	~{n}-[(4~{s})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
+CC(C)C[C@H]1c2c(c3ccccc3[nH]2)CCN1	KWQ	(1~{s})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+C[C@H]([C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N)O	KWS	{2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@@]4(c5c(coc5C3=O)C(=O)O[C@@H]4COC)C)C	KWT	(1s,6br,9as,11r,11br)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo[4, 3,2-de]indeno[4,5-h][2]benzopyran-11-yl acetate
+CC(=O)NC1=NN(CC1)c2ccc(c(c2)Cl)Cl	KWV	~{n}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide
+c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCN	KWW	1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{n}-(phenylmethyl)pyrazole-4-carboxamide
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4	KWY	4-tert-butyl-n-(1,3-diphenyl-1h-pyrazol-5-yl)benzamide
+c1cc(cc(c1)C(F)(F)F)c2cc(nc(n2)C#N)CCCN3CCCCC3	KWZ	4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
+c1c(nc(nc1C2CCCCCC2)C#N)CCCN3CCCCC3	KX1	4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile
+C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN3CCCC3)/C)OC)OC(=O)N)\C)C)O)OC	KX2	(4e,6z,8s,9s,10e,12s,13r,14s,16r)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-{[2-(pyrrolidin-1-yl)ethyl]amino}-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
+c1ccc(cc1)CCNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O	KX5	3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid
+c1ccc(c(c1)N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-])O	KX7	icilin
+c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCCC(=O)O	KX8	4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid
+Cc1c(c(c2c(n1)C(=O)N(C2)c3ccccc3OC)c4ccc(cc4Cl)Cl)CN	KXA	3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7h-pyrrolo[3,4-b]pyridin-7-one
+Cc1c(c(c2c(n1)C(=O)N(C2)CCOC)c3ccc(cc3Cl)Cl)CN	KXB	3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7h-pyrrolo[3,4-b]pyridin-7-one
+c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O	KXE	3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OCC4[C@H]([C@H]([C@H](O4)S)O)O)O)O)N	KXG	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate
+CCOC(=O)c1cn(nc1c2ccc(c(c2)Cl)Cl)CCCCN	KXH	ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate
+CCCCCCCCCCCCCC(=S)NCCCC[C@@H](C(=O)Nc1ccccc1)NC(=O)CCOCCO	KXJ	n~2~-[3-(2-hydroxyethoxy)propanoyl]-n-phenyl-n~6~-tetradecanethioyl-l-lysinamide
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCCC4)CCCCC2=O	KXK	~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3N2CCc4ccccc4)C[C@H]([C@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O	KXM	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3r,4r)-5-[(4ar)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
+c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O	KXN	(2r,3s)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol
+c1cc(cc(c1)F)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F	KXO	6-(3-fluorophenyl)-n-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC	KXP	(2s)-1-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate
+c1cc2cc[nH]c2c(c1)C(=O)O	KXQ	1~{h}-indole-7-carboxylic acid
+C[C@@H]1CC[C@H]([C@@H](C1)C(=O)Nc2ccc(cc2)OC)C(C)C	KXS	(1r,2s,5r)-n-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide
+c1ccc(cc1)c2ccc3nc(cn3c2)c4ccccc4	KXT	2,6-diphenylimidazo[1,2-a]pyridine
+Cc1cc(nc(n1)SCc2cc(no2)C(=O)NCc3ccnc(c3)C)C	KXU	5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-n-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide
+COc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O	KXV	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}ac etic acid
+c1ccnc(c1)NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	KXW	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid
+c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)O	KXZ	3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid
+c1ccc(c(c1)C(=O)CCC(=O)O)N	KY1	4-(2-aminophenyl)-4-oxobutanoic acid
+[H]/N=C(\N)/NCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KY2	1-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine
+CO[C@H]1C[C@@H]([C@H](C[C@H]1c2cccs2)C(=O)O)OC	KY3	(1s,2s,4s,5r)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid
+c1cc(c(c(c1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)F)F)O	KY4	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1ccnc(c1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	KY5	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@@H](CS)N)CC(=O)O)[N+](=O)[O-])O	KY7	{(4z)-2-[(1s)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cnc(nc1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	KY8	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
+c1ccc2c(c1)c(cc(n2)C(=O)O)O	KYA	4-hydroxyquinoline-2-carboxylic acid
+[H]/N=C(/N)\NCCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KYB	1-[5-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine
+Cc1c(c(n[nH]1)C)C(=O)O	KYD	3,5-dimethyl-1h-pyrazole-4-carboxylic acid
+[H]/N=C(/N)\NCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KYE	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid
+C([C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O)O	KYG	(1r,2r,3s,4r,5r,6s)-4-{[(s)-[(2s)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-3,5,6-trihydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)]
+[H]/N=C(\N)/NCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KYH	1-[4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine
+c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3ccc(cc3)/C=C\4/C(=O)c5cccc(c5O4)C(=O)N	KYJ	(2z)-2-[(4-{[2-(1h-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
+c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O	KYK	n6-benzyl-(alpha,beta)-methylene-adp
+c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)C(=O)N4CCn5c(nnc5C6CC6)C4)/C2=O	KYM	(2z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8h)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
+c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N	KYN	(2s)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
+c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(cc3)C(=O)N4CCN(CC4)c5ncccn5)O	KYP	3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide
+C(CC/N=C(\CO)/C(=O)O)C[C@@H](C(=O)O)N	KYQ	(e)-n~6~-(1-carboxy-2-hydroxyethylidene)-l-lysine
+c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)[N@@]4CCN[Ru]456789([CH]1=[CH]5[CH]6=[CH]7[CH]8=[CH]91)Cl	KYS	n-(4-{[(2-aminoethyl)amino]sulfonyl}phenyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide-(1,2,3,4,5,6-eta)-benzene-chloro-ruthenium(iii)
+CC1=[CH]2C=C3([Ru+]24([CH]1=C3)([NH2][C@@H]5CN(C[C@H]5[NH2]4)C(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)Cl)C(C)C	KYT	(3as,4s,6ar)-4-(5-((3r,4r)-3,4-diaminopyrrolidin-1-yl)-5-oxopentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one-p-cymene-chloro-ruthenium(iii)
+c1ccc2c(c1)[nH]c(n2)N3CCN(CC3)C(=O)c4ccc(cc4)Cc5c(c6cccc(c6o5)C(=O)N)O	KYV	2-({4-[4-(1h-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide
+CN(Cc1ccccc1)c2c3c(nc(n2)Cl)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O	KYW	(n6,n6)-methyl,benzyl-c2-chloro-(alpha,beta)-methylene-adp
+c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(c(c3)F)c4[nH]nnn4)O	KYY	2-{[3-fluoro-4-(1h-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide
+CNS(=O)(=O)c1ccc(c(c1)NC(=O)CC2=NNC(=O)c3c2cccc3)OC	KYZ	~{n}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+c1c(c(c(c(c1F)O)F)F)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O	KZ1	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc2ccsc2c(c1)C(=O)O	KZ2	1-benzothiophene-7-carboxylic acid
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)Br)O	KZ4	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CN(C)[C@@H](Cc1c[nH]c(n1)S(=O)(=O)O)C(=O)O	KZ5	(2~{s})-2-(dimethylamino)-3-(2-sulfo-1~{h}-imidazol-4-yl)propanoic acid
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)Cl)O	KZ7	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)Nc4ccccc4	KZ8	~{n}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+c1cc(cc(c1)O)[C@H]2C3=C(CCCC3=O)NC(=S)N2	KZ9	(s)-4-(3-hydroxyphenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6h)-one
+C[C@H]1CC[C@]2([C@@H]([C@@H]3[C@@H](O2)[C@@H]([C@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H]6[C@]5(C[C@@H]([C@H](C6)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O)O)C)C)O)C)OC1	KZB	(2~{s},3~{r},4~{r},5~{s},6~{s})-2-(hydroxymethyl)-6-[(1~{s},2~{r},3~{r},4~{r},5'~{s},6~{s},7~{r},8~{s},9~{r},12~{r},13~{r},15~{s},16~{s},18~{r})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol
+C[C@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CCC=C(C)C)CCOP(=O)(O)O	KZE	[(3~{r},6~{z},10~{z},14~{z},18~{z})-3,7,11,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaenyl] dihydrogen phosphate
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)I)O	KZG	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}aceti c acid
+CCC=CCC(=O)C=CC=CCCCCCCCC(=O)O	KZH	(13-oxo-9(z),11(e),15(z)-octadecatrienoic acid)
+COc1cc(cc(c1)OC)Nc2c(ncc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N	KZI	5-{[(1r,2s)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide
+CNc1cc(nn2c1ncc2C(=O)NC3CC3)NC4=CC=CN(C4=O)c5ccc(cc5)C#N	KZJ	6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-n-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
+COc1ccc(cc1NC(=O)Cc2c[nH]c3c2cccc3)S(=O)(=O)N4CCCCCC4	KZK	~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1~{h}-indol-3-yl)ethanamide
+CC(C)(CN)Nc1nc(c(c2n1cnn2)C(=O)N)Nc3cc(cc(c3)OC)OC	KZL	5-[(2-amino-1,1-dimethylethyl)amino]-7-[(3,5-dimethoxyphenyl)amino][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide
+COc1cc(cc(c1)OC)Nc2c(c3nc(nn3c(n2)N[C@@H]4CCCC[C@@H]4N)c5cccc(c5)O)C(=O)N	KZM	5-{[(1r,2s)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5C4	KZN	~{n}-[5-(3,4-dihydro-1~{h}-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+CCn1c2c(c(n1)C#Cc3c(ccc4c3ccnc4Nc5ccc(cc5)Cl)C)c(ncn2)N	KZP	5-[(4-amino-1-ethyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-n-(4-chlorophenyl)-6-methylisoquinolin-1-amine
+CC1=C([C@@H](NC(=O)N1)c2ccc(cc2)F)C(=O)Nc3ccc4c(c3)c[nH]n4	KZQ	(4s)-4-(4-fluorophenyl)-n-(2h-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
+CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)COCC	KZS	n~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1h-pyrazol-4-yl}methyl)-n~1~,n~2~-dimethylethane-1,2-diamine
+COc1ccc(cc1NC(=O)Cc2ccnc3c2cccc3)S(=O)(=O)N4CCCCCC4	KZT	~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinolin-4-yl-ethanamide
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)F)O	KZV	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}ace tic acid
+Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O	KZY	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCN)C(=O)NCc5cccc6c5cccc6)C3	KZZ	1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide
+C[C@H]1C[C@@H]1CN(CCOC)c2cc(c(c(n2)[N@](C)S(=O)(=O)C)Cl)c3nnc(o3)[C@@](C)(Cc4ccccc4)N	L00	(2r)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1s,2s)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine
+CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNCc3cccc(c3)OC)O	L01	3-[({(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}amino)(hydroxy)methyl]-n,n-dipropylbenzamide
+c1cc(ccc1c2cc([nH]n2)C3CCNCC3)Cl	L02	4-[3-(4-chlorophenyl)-1h-pyrazol-5-yl]piperidine
+CSc1[nH]c(nn1)c2ccc(cc2)Cl	L03	3-(4-chlorophenyl)-5-(methylthio)-4h-1,2,4-triazole
+CC(C)C[C@@H](C(=O)Nc1ccccc1)NC(=O)[C@H](CCc2ccc(cc2)c3ccc(cc3)F)C[C@H](CCCCN4Cc5ccccc5C4=O)C(=O)O	L04	6-(4'-fluoro-biphenyl-4-yl)-4-(3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-2-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-butyl]-hexanoic acid
+COc1ccc(cc1)NC2=C(C(=O)N(C2=O)Cc3ccccc3)c4ccccc4	L05	1-benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
+C(C[C@@H](CS)C(=O)O)CNC(=N)N	L06	5-{[amino(imino)methyl]amino}-2-(sulfanylmethyl)pentanoic acid
+CCCc1nc2c(s1)c3ccccc3nc2N	L07	2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine
+CCOc1ccccc1Sc2ccc(cc2[N+](=O)[O-])c3ccnc(c3)N4CCN(CC4)C(=O)C	L08	1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine
+CC(C)(C)c1cc([nH]n1)NC(=O)Nc2ccc(c(c2)COc3cccnc3)Cl	L09	n-(3-tert-butyl-1h-pyrazol-5-yl)-n'-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea
+C[C@@H]1CC[C@]2([C@@H]([C@@H]3[C@H](O2)[C@H]([C@H]4[C@]3(CC[C@H]5[C@@H]4CC[C@H]6[C@@]5(C[C@@H]([C@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@@H](O8)CO)O)O[C@H]9[C@@H]([C@@H]([C@@H](CO9)O)O)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O[C@H]2[C@H]([C@@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1	L0A	digitonin
+CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O	L0B	alpha-lobeline
+c1cc(ccc1C(=O)Nc2c[nH]nc2c3[nH]c4cc(ccc4n3)C[NH]5CCOCC5)F	L0C	4-{[2-(4-{[(4-fluorophenyl)carbonyl]amino}-1h-pyrazol-3-yl)-1h-benzimidazol-6-yl]methyl}morpholin-4-ium
+c1ccc2c(c1)[nH]c(n2)c3cc[nH]n3	L0D	2-(1h-pyrazol-3-yl)-1h-benzimidazole
+c1ccc(cc1)NC(=O)Nc2c[nH]nc2c3[nH]c4ccc(cc4n3)C[NH]5CCOCC5	L0E	4-[(2-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-3-yl}-1h-benzimidazol-5-yl)methyl]morpholin-4-ium
+c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3	L0F	n-[3-(1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]benzamide
+c1cc2c(cc1C[NH+]3CCOCC3)[nH]c([nH+]2)c4c(c[nH]n4)NC(=O)NC5CC5	L0G	2-{4-[(cyclopropylcarbamoyl)amino]-1h-pyrazol-3-yl}-6-(morpholin-4-ium-4-ylmethyl)-1h-3,1-benzimidazol-3-ium
+c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3	L0H	n-[3-(1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]benzamide
+c1cc2c(cc1C[NH+]3CCOCC3)[nH]c(n2)c4c(c[nH]n4)NC(=O)NC5CC5	L0I	4-[(2-{4-[(cyclopropylcarbamoyl)amino]-1h-pyrazol-3-yl}-1h-benzimidazol-6-yl)methyl]morpholin-4-ium
+c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CCN)C3CC3	L0J	n-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5CC4	L0K	~{n}-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+Cc1c2nc(c(n2ccn1)NC(=O)CN3c4ccccc4Oc5c3cccc5)c6ccccc6	L0M	n-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10h-phenoxazin-10-yl)acetamide
+CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OCC(C)C	L0N	~{n}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
+Cc1cccn2c1nc(c2NC(=O)CN3c4ccccc4SCC3=O)c5ccccc5	L0P	n-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4h-1,4-benzothiazin-4-yl)acetamide
+CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OC(C)C	L0Q	~{n}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
+c1ccc(cc1)OCC(=O)N2CCCC[C@@H]2C(=O)N3CCc4ccccc4C3	L0R	1-[(2r)-2-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone
+CCN(CC)/C(=N/[P@@](=O)(C)OC)/C	L0S	methyl (r)-n-[(1e)-1-(diethylamino)ethylidene]-p-methylphosphonamidate
+CC(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc3cccc4c3nc(cc4S(=O)(=O)[O-])C(=O)Nc5cccc6c5nc(cc6S(=O)(=O)[O-])C(=O)Nc7cccc8c7nc(cc8S(=O)(=O)[O-])C(=O)Nc9cccc1c9nc(cc1S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)O	L0T	8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate
+CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)COC)OC[C@H](CO)O[C@@H]([C@@H](COC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC	L0W	lipopolysaccharide fragment
+CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCCO4	L0Y	6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3c4cc([nH]c4ncn3)c5ccc(cc5)C(=O)N6CCN(CC6)C	L0Z	4-~{tert}-butyl-~{n}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide
+CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc2)Cl)N(N1)c3ccccc3	L10	n-[(3z)-5-tert-butyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-ylidene]-n'-(4-chlorophenyl)urea
+c1cc(cnc1)OCc2cc(ccc2Cl)NC(=O)C3=CC(CC(C3)N4CCOCC4)F	L11	n-[4-chloro-3-(pyridin-3-yloxymethyl)-phenyl]-3-fluoro-
+c1ccc2c(c1)c(c[nH]2)CCc3ccncc3	L12	3-(2-pyridin-4-ylethyl)-1h-indole
+Cc1ccccc1C2=NNC(=S)N2N	L13	4-amino-5-(2-methylphenyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione
+C1CC(CCC1C(=O)O)C(=O)O	L14	trans-cyclohexane-1,4-dicarboxylic acid
+Cc1c(c[nH]n1)c2ccc(cc2)CCN	L15	2-[4-(3-methyl-1h-pyrazol-4-yl)phenyl]ethanamine
+C[C@H](c1cccc(c1)Cl)NC(=O)Cc2c(ccc([n+]2[O-])NCC(c3cccc[n+]3[O-])(F)F)Cl	L17	l17
+C[C@H](C[C@@H]1CCCC[N@]1C)C[C@@H](C)c2ccccc2	L18	(2s)-1-methyl-2-[(2s,4r)-2-methyl-4-phenylpentyl]piperidine
+COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5	L19	3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1h-indol-1-yl]propanoic acid
+CC(C)C[C@@H]([C@@H]([C@@H](C[C@@H]1CCC=CC1)NC(=O)[C@H](Cc2csc(n2)N)NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)N4CCOCC4)O)O	L1A	n-(morpholin-4-ylsulfonyl)-l-phenylalanyl-3-(2-amino-1,3-thiazol-4-yl)-n-{(1r,2r,3s)-1-[(1r)-cyclohex-3-en-1-ylmethyl]-2,3-dihydroxy-5-methylhexyl}-l-alaninamide
+CCc1c(c(nc(n1)N)N)c2ccc3ccc[n+](c3c2)CCCOC	L1B	7-(2,4-diamino-6-ethylpyrimidin-5-yl)-1-(3-methoxypropyl)quinolinium
+c1cc(ccc1NC(=O)N2C[C@](C[C@@H]2C(=O)Nc3ccc(cn3)N4C=CC=CC4=O)(c5ccc(cc5F)F)O)Cl	L1C	(2r,4s)-n^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-n^2^-(2-oxo-2h-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide
+c1ccc(cc1)[C@]2(C[C@@H](N(C2)C(=O)Nc3ccc(cc3)Cl)C(=O)Nc4ccc(cc4F)N5C=CC=CC5=O)O	L1D	(2r,4s)-n^1^-(4-chlorophenyl)-n^2^-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide
+Cc1ccc2c(c1Nc3c(cccn3)c4c5c(nc[nH]5)ncn4)ccnc2Nc6ccc(cc6)Cl	L1E	n~1~-(4-chlorophenyl)-6-methyl-n~5~-[3-(7h-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine
+Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N	L1G	n-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide
+CC(C)(Cn1c2ccccc2nc1NC(=O)c3cc(cc(c3)F)c4cccnc4)O	L1H	3-fluoranyl-~{n}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide
+CC(C)(Cn1c2ccccc2nc1NC(=O)c3ccnc(c3)c4ccccc4)O	L1K	~{n}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O	L1L	2-amino-2-deoxy-1-o-phosphono-alpha-d-glucopyranose
+CCN(CC)/C(=N/[P@H](=O)OCC)/C	L1M	ethyl (r)-n-[(1e)-1-(diethylamino)ethylidene]phosphonamidate
+c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O	L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid
+CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	L1P	3-phosphoryl-[1,2-di-phytanyl]glycerol
+CCCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	L1Q	2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide
+CC(C)Oc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OCCN)Cl	L1R	4-(2-aminoethoxy)-3,5-dichloro-n-[3-(1-methylethoxy)phenyl]benzamide
+COC(=O)c1cnc(nc1)N2CCN(CC2)C(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N	L1S	methyl 2-{4-[4-(7-carbamoyl-1h-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate
+[H]/N=C(\c1cc(c(s1)c2ccccc2)C)/N	L1T	4-methyl-5-phenyl-thiophene-2-carboximidamide
+c1cc(ccc1C(=O)[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O	L1V	4-[(1r,2s)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(cc6)O)c7ccccc7	L1W	~{n}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{h}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide
+CC1=CC=C(C(=O)N1c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4cc5cnn(c5cc4c6c[nH]nc6)C	L1X	n-(3-fluoro-4-{[1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
+c1cc(ccc1C(=O)[C@H]2CCC[C@@H]2CC(=O)O)C(=O)O	L1Y	4-[(1s,2r)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)C5=C(N=C(C(=O)N5)C)c6ccccc6	L1Z	~{n}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{h}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide
+Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4c[nH]c5c4cccc5)N	L20	(2s)-1-(1h-indol-3-yl)-3-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine
+CC(=CCn1cnc(c-2ncnc12)N)C	L21	3-(3-methylbut-2-en-1-yl)-3h-purin-6-amine
+c1cnc(nc1c2csc(n2)N)N	L22	4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine
+Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3ccnc(n3)N	L23	4-[1-(2,6-dichlorobenzyl)-2-methyl-1h-imidazol-4-yl]pyrimidin-2-amine
+c1cc(ccc1CC[C@H]2Cc3c(nc(nc3O)N)NC2)C(=O)N[C@@H](CCC(=O)O)C(=O)O	L24	[[[2-amino-5,6,7,8-tetrahydro-4-hydroxy-pyrido[2,3-d]pyrimidin-6-yl]-ethyl]-phenyl]-carbonyl-glutamic acid
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCOCC4)CCCCC2=O	L25	~{n}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C)C(=O)C	L26	4-acetyl-n-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@@H]3CNC(=O)c4c3cccc4)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6	L27	{1-benzyl-3-[2-benzyl-3-oxo-4-(1-oxo-1,2,3,4-tetrahydro- isoquinolin-4-yl)-2,3-dihydro-1h-pyrrol-2-yl]-2- hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester
+CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)N	L28	n~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1h-pyrrole-2,4-dicarboxamide
+CC(C)[C@H](C(=O)NO)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5	L29	n,n'-bis(2-{(biphenyl-4-ylsulfonyl)[(2r)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name)
+CC(C)C[C@H]1C(=O)N[C@](CCC\C=C\CCC[C@](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(=O)O)(C)N)(C)C(=O)O	L2A	(2s,5s,8s,11s,15e,20s)-20-amino-2-(carboxymethyl)-11,20-dimethyl-5,8-bis(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-11-carboxylic acid
+C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)COP(=O)(O)O	L2B	3'-deoxyuridine-5'-monophosphate
+CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC	L2C	(2s)-3-hydroxy-2-(nonanoyloxy)propyl laurate
+C1CC[C@@H]2[C@@H](C1)[N]34CC5=[N]([Fe]367([N]2(CC8=CC=CC=[N]68)CC(=O)O7)OC(=O)C4)C=CC=C5	L2D	{2,2'-[(1r,2r)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappan)methyl]imino-kappan}]diacetato-kappao(2-)}iron
+CC(=CCC/C(=C/Cc1c(cc2c(c1O)C(=O)C[C@H](O2)c3ccc(c(c3)O)O)O)/C)C	L2E	(2s)-2-(3,4-dihydroxyphenyl)-6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4h-chromen-4-one
+CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N	L2G	n-(4-{1-[4-(4-acetylpiperazin-1-yl)-trans-cyclohexyl]-4-amino-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide
+Cc1c-2nc(o1)-c3c(oc(n3)[C@@H](NC(=O)c4coc(n4)-c5coc(n5)-c6coc(n6)[C@@H](NC(=O)c7coc2n7)CCCCN)CCCCN)C	L2H	(12s,27s)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2. 1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode caene-10,25-dione
+c1ccc2c(c1)N(c3ccccc3O2)[C@H]4CCC[C@H]([C@@H]4O)NS(=O)(=O)c5ccc(cc5)OC(F)(F)F	L2J	n-[(1r,2r,3s)-2-hydroxy-3-(10h-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide
+c1cc(c(cc1C2=NNC3=NCCN3C2)F)F	L2K	3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine
+C[N@]12CC3=CC=CC=[N]3[Fe+2]145[N]6=CC=CC=C6C[N@@]4(CC(=O)O5)[C@@H]7[C@@H]2CCCC7	L2M	{(r)-n-[(1s,2s)-2-{methyl[(pyridin-2-yl-kappan)methyl]amino-kappan}cyclohexyl]-n-[(pyridin-2-yl-kappan)methyl]glycinato-kappa~2~n,o}iron(2+)
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCN(CC4)C)CCCCC2=O	L2N	~{n}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CC(C)C[C@H]([C@@H](C(=O)O)O)N	L2O	(2s,3r)-3-amino-2-hydroxy-5-methylhexanoic acid
+CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	L2P	2,3-di-phytanyl-glycerol
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCC(=O)[C@H]6[C@H]5CCCC6	L2Q	[(1~{r})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{s})-1-[[(1~{r},4~{a}~{r},8~{a}~{r})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{h}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate
+Cc1ccc(cc1)SCC(=O)N2CCCCC2	L2S	1-{[(4-methylphenyl)sulfanyl]acetyl}piperidine
+Cc1ccccc1CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc4ccccc4	L2T	4-(benzyloxy)-n-[(1s,2r)-2-hydroxy-1-({(1s)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCC4)CCCCC2=O	L2W	~{n}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CCN(CC)/C(=N/[P@](=O)(C)F)/C	L2Y	(s)-n-[(1e)-1-(diethylamino)ethylidene]-p-methylphosphonamidic fluoride
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CC5(C4)COC5)CCCCC2=O	L2Z	~{n}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+c1ccc2c(c1)cccc2NC(=O)c3cccnc3	L30	n-(naphthalen-1-yl)pyridine-3-carboxamide
+Cc1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)C(=O)C)c4cccc(c4)O	L31	3-[(1r)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1h-beta-carbolin-1-yl]phenol
+c1cc-2c(cc1Br)C(=NOCC(=O)O)c3c2ccc(c3)Br	L32	{[(2,7-dibromo-9h-fluoren-9-ylidene)amino]oxy}acetic acid
+CCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N(CC)CC)C)C(=O)C	L33	4-acetyl-n-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNc4c(c(nc(n4)N)O)N3C2=O	L34	4-(7-amino-9-hydroxy-1-oxo-3,3a,4,5-tetrahydro-2,5,6,8,9b-pentaaza-cyclopenta[a]naphthalen-2-yl)-phenylcarbonyl-glutami c acid
+CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl	L35	2-[4-({[(3,5-dichlorophenyl)amino]carbonyl}amino)phenoxy]-2-methylpropanoic acid
+CCCN(Cc1ccc(cc1)N)C(=O)NCC(=O)OCC	L36	ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2c(c(nc(n2)N)O)N	L37	[[n'-(2,5-diamino-6-hydroxy-pyrimidin-4-yl)-ureayl]-phen-4-yl]-carbonyl-glutamic acid
+C[C@H](CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CI	L39	(3beta,9beta,25r)-3-hydroxy-26-iodocholest-5-ene-16,22-dione
+C[C@@H](CP(=O)([C@H](CC(C)C)N)O)C(=O)O	L3A	(2r)-3-[(r)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+Cc1ccccc1C2=NC(=S)N=N2	L3B	5-(2-methylphenyl)-3h-1,2,4-triazole-3-thione
+Cc1c(c(c2ccccc2n1)c3ccc4c5c3nccc5CCO4)[C@@H](C(=O)O)OC(C)(C)C	L3D	(2s)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid
+c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)/C=N/c4ccc(cc4)C(=O)O)C(F)(F)F	L3E	4-[(~{e})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid
+Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCN(CC6)C7CCOCC7)N	L3G	n-(4-{4-amino-1-[1-(tetrahydro-2h-pyran-4-yl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide
+c1ccc(cc1)NC(=O)O[C@H]2CCC[NH+](C2)C3Cc4ccccc4C3	L3H	[(3~{s})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-1-ium-3-yl] ~{n}-phenylcarbamate
+CCCN(c1cc2cc(c1)C(=O)N[C@@H](Cc3cccc(c3)CCCC2)CN[C@H]([C@H](C)O)C(=O)/N=C/C(C)C)S(=O)(=O)C	L3J	(e)-n-(2-methylpropylidene)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-d-threoninamide
+c1cc2c(c(c1)C(=O)N)C(=O)N(C2)C3CCNCC3	L3L	3-oxo-2-piperidin-4-yl-2,3-dihydro-1h-isoindole-4-carboxamide
+CCC[C@@H]([C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1)O	L3M	(3s)-3-hydroxy-n-(2-methylpropyl)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-l-norleucinamide
+CC(C)C[C@@H]([C@@H](C(=O)O)O)N	L3O	(2s,3s)-3-amino-2-hydroxy-5-methylhexanoic acid
+CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	L3P	2,3-di-o-phytanly-3-sn-glycero-1-phosphoryl-3'-sn-glycerol-1'-phosphate
+C1CN2[C@@H](CN1)COC2=O	L3Q	(8~{a}~{s})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
+Cc1ccc(c(c1)O)[N+](=O)[O-]	L3S	5-methyl-2-nitrophenol
+Cc1ccccc1CNC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)C(=O)c3c[nH]c4c3cccc4	L3T	n-(2,2-dimethylpropyl)-n~2~-[1h-indol-3-yl(oxo)acetyl]-l-asparaginyl-n-(2-methylbenzyl)-3-pyridin-4-yl-l-alaninamide
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)N(C2=O)C)O)O)N	L3U	[(2~{r},3~{s},4~{r},5~{r})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC(=O)Nc1ccc(cc1)CO	L3V	n-[4-(hydroxymethyl)phenyl]acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N(/C=C/C=C(/C(=O)N)\O)C=O)O)O)O)O)N	L3W	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-[[(1~{e},3~{z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CS(=O)(=O)c1ccc(cc1)C=O	L3Y	4-(methylsulfonyl)benzaldehyde
+c1ccc2c(c1)-c3cc(ccn3)C(=O)Nc4nc5ccccc5n4CCCCCO2	L3Z	8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
+CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O)NC)C)C(=O)C	L40	4-acetyl-3-ethyl-5-methyl-n-[2-methyl-5-(methylsulfamoyl)phenyl]-1h-pyrrole-2-carboxamide
+CCCc1c(ccc(c1O)C(=O)C)OCCCOc2ccc(cc2)OCC(=O)O	L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)c3[nH]nnn3	L43	3-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid
+CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC	L44	(2s)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate
+CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)O	L45	~{n}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CCc1c(c([nH]c1C(=O)NC)C)C(=O)C	L46	4-acetyl-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide
+CC(=O)N1[C@@H](CC(=N1)c2ccccc2Cl)c3cccc(c3)O	L47	3-[(5s)-1-acetyl-3-(2-chlorophenyl)-4,5-dihydro-1h-pyrazol-5-yl]phenol
+C(CO)c1c(nc(o1)CCO)C(=O)O	L4A	2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid
+C[C@@]12CC[C@H]3[C@@]4(CCCC([C@H]4CC[C@@]3([C@H]1Cc5c2c(cc(c5O)O)C(=O)O)C)(C)C)C	L4B	(4~{a}~{r},4~{b}~{s},6~{a}~{r},11~{a}~{r},11~{b}~{s},13~{a}~{r})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)- 3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{h}-indeno[2,1-a]phenanthrene-7-carboxylic acid
+CC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O	L4C	(2e)-2-{[(2s)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid
+C[N]12CC[N]34[Fe+2]1([N]5=C(C2)C=CC=C5)([N]6=CC=CC=C6C3)OC(=O)C4	L4D	{(s)-n-(2-{methyl[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-n-[(pyridin-2-yl-kappan)methyl]glycinato-kappa~2~n,o}iron(2+)
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)/C)C	L4E	geranylgeranyl dihydroxybenzoate
+CS(=O)(=O)c1ccc(cc1)c2ccc3cc(ccc3c2Oc4ccc(cc4)OCCN5CCCCC5)O	L4G	6-(4-methylsulfonyl-phenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
+CC(=CCC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)C	L4H	farnesyl dihydroxybenzoate
+CCCC[C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1	L4J	n-(2-methylpropyl)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-l-norleucinamide
+CCCCCc1ccc(cc1)S(=O)(=O)N	L4K	4-pentylbenzenesulfonamide
+c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O	L4M	4-{[(1s,2s)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid
+CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	L4P	3-[glycerolylphosphonyl]-[1,2-di-phytanyl]glycerol
+CCCCCCc1ccc(cc1)S(=O)(=O)N	L4Q	4-hexylbenzenesulfonamide
+c1ccc(c(c1)C(=O)[C@@H]2CCC[C@H]2CC(=O)Nc3cn(nn3)C[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)N)O)O	L4S	2',5'-dideoxy-5'-[4-({[(1s,2r)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1h-1,2,3-triazol-1-yl]cytidine
+CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O	L4T	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-l-prolinamide
+CN1CCC/C=C\CCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O	L4V	13-chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8h,12h)-dione
+CCCCCOc1ccc(cc1)S(=O)(=O)N	L4W	4-pentoxybenzenesulfonamide
+C[C@@H]1CCc2c(c([nH]n2)C(=O)N[C@H]3COc4ccccc4N(C3=O)C)C1	L4Y	(5r)-5-methyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide
+Cc1cc(n(n1)C)CNC(=O)O	L4Z	(2,5-dimethylpyrazol-3-yl)methylcarbamic acid
+Cc1ccc(cc1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O	L50	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methylphenyl)pentyl]phosphonic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)N	L51	1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+c1ccc(cc1)C#CC#Cc2ccc(cc2)C(=O)N[C@@H](CN)C(=O)NO	L52	n-[(2s)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide
+C[C@@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O	L53	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3s)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide
+CN(C(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)CP(=O)(O)O)O	L54	{(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-[4-(trifluoromethyl)phenyl]pentyl}phosphonic acid
+Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3cccc(c3)NC(=O)c4cnn(c4)C)C	L55	n-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide
+Cc1cccc(c1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O	L56	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]phosphonic acid
+c1ccc(cc1)/C(=N/OCC(=O)O)/c2ccc(c(c2)Cl)Cl	L57	({(z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccc(cc2)Br)O	L58	4'-bromo-n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccccc2)O	L59	n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide
+c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)CC(=O)O	L5A	(4-{[(1s,2s)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid
+c1cc(ccc1C2=C(CCCc3c2ccc(c3)C(=O)O)c4ccc(cc4Cl)Cl)O[C@H]5CCN(C5)CCCF	L5B	6-(2,4-dichlorophenyl)-5-[4-[(3~{s})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{h}-benzo[7]annulene-2-carboxylic acid
+Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccc(cc3)NC(=O)c4cnn(c4)C)C	L5C	n-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide
+Cc1cccc(c1)c2cccc(c2)C(=O)O	L5D	3-(3-methylphenyl)benzoic acid
+c1cc(c2c(c1Br)CC[C@@H](C(C2)(O)O)[NH3+])Br	L5E	[(7~{s})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
+COc1ccc2c(ccnc2c1)OCc3nnc4n3nc(cc4)c5ccccc5	L5G	7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
+c1ccc(cc1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)n4ccnc4	L5H	~{n}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{h}-quinoxalin-1-yl]benzamide
+c1cc(ccc1C[C@H]2CCC[C@@H]2CC(=O)O)CC(=O)O	L5J	(4-{[(1r,2r)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid
+c1cc(cc(c1)NS(=O)(=O)c2ccc3c(c2)c4ccc(cc4o3)[N+](=O)[O-])NC(=O)C5(CC5)O	L5K	~{n}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide
+c1cc2c(c(c1)NC(=O)c3ccc(s3)Cl)C(=O)N(C2=O)Cc4ccc(cc4)C(=O)O	L5N	4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid
+C(CCNCC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C[C@@H](C(=O)O)N	L5P	(2s)-2-azanyl-6-[[(3r,4r)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid
+Cc1cc(no1)C(=O)NCC(F)(F)F	L5Q	5-methyl-~{n}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide
+Cc1nnc2n1-c3c(ccs3)C(=NC2)c4ccccc4	L5S	13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene
+CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O	L5T	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-prolinamide
+c1c(nc(cn1)Cl)c2nc[nH]n2	L5V	2-chloranyl-6-(1h-1,2,4-triazol-3-yl)pyrazine
+C1CC2(CCC1C2)C(=O)NO	L5W	~{n}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide
+c1cncc2c1c(n[nH]2)c3cc(cc(n3)C(F)(F)F)NCCO	L5Y	2-{[2-(1h-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol
+c1cc(cc(c1)F)C[C@@H]2C[C@H]2NCCc3ccnc(n3)n4ccnc4	L5Z	(1r,2r)-2-(3-fluorobenzyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine
+C1CNC(=O)NC1	L60	1,3-diazinan-2-one
+CC(C)COC(=O)N[C@H](CC=O)c1ccccc1	L61	2-methylpropyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate
+c1ccc(cc1)[C@@H](CC=O)NC(=O)OC2CCCC2	L62	cyclopentyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccccc2)O	L63	n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide
+c1cc(cnc1)C(=O)N2CCC(CC2)n3c4c(cn3)c(nc(n4)c5ccc(cc5)NC(=O)Nc6ccncc6)N7CCOCC7	L64	1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea
+Cc1ccc(cc1c2cn3c4c(nc3n2c5ccccc5OC)N(C(=O)NC4=O)C)O	L66	7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione
+c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)O	L67	{(1s,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid
+Cn1cc(cn1)c2ccc(c(c2)C=CC(=O)c3c(cc(cc3F)c4c[nH]nc4)F)C(=O)O	L68	2-[3-[2,6-bis(fluoranyl)-4-(1~{h}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid
+CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O	L69	[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid
+COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O	L6B	methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-3-enoate
+c1ccc(cc1)[C@@H](CC=O)NC(=O)Oc2ccccc2	L6C	phenyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate
+CNC(=O)COC(=O)/C=C/CNC(=O)C1=CC2=C(CCCC2)NC1=O	L6E	[2-(methylamino)-2-oxidanylidene-ethyl] (~{e})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-2-enoate
+CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2nc(cs2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS	L6G	(5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione
+C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NC/C=C/C(=O)OCC(=O)NCCCNC(=O)OC3CCCC=CCC3	L6H	[2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{e})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-2-enoate
+Cc1ccc(cc1CN2C[C@H](Oc3ccccc3S2(=O)=O)C)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C	L6I	(3s)-3-(7-methoxy-1-methyl-1h-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((r)-4-methyl-1,1-dioxido-3,4-dihydro-2h-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid
+COc1ccccc1C(=O)C2CCCC2C(C(=O)O)C(=O)O	L6J	[(1r,2r)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid
+CN[C@@H](Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O	L6K	(2~{s})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid
+c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)N[C@@H](CCC(=O)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)O)C(=O)O	L6M	5'-{[n-({(1s,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-l-gamma-glutamyl]amino}-2',5'-dideoxycytidine
+c1cc(c(cc1CC(=O)NC2(CCCCC2)C(=O)O)C3CC3)C#N	L6P	1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid
+C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)O	L6S	6-o-sulfo-alpha-l-galactopyranose
+CCCCCCCCCCCCOC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	L6T	alpha-d-glucopyranosyl 6-o-dodecyl-alpha-d-glucopyranoside
+c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccsc3)C#N	L6V	n-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide
+c1ccc(cc1)C(=O)c2ccc3c4c2cccc4C(=O)N(C3=O)O	L6Y	2-oxidanyl-6-(phenylcarbonyl)benzo[de]isoquinoline-1,3-dione
+CCN1C(=O)C[C@H](C1=O)c2cccc(c2)CN	L71	(3s)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione
+c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl	L74	3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1h-pyrrolo[2,3-b]pyridine
+CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cc6ccccc6o5	L75	n-[2(r)-hydroxy-1(s)-indanyl]-2(r)-phenylmethyl-4(s)-hydroxy-5-[4-[2-benzofuranylmethyl]-2(s)-[tert-butylaminocarbonyl]-piperazinyl]-pentaneamide
+C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3c([nH]nn3)CN(C)C)c4ccc(cc4)F	L76	1-(4-{[(2r,3s)-2-{(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1h-1,2,3-triazol-5-yl)-n,n-dimethylmethanamine
+c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)NC(=O)c4c(cccc4Cl)F)C(F)(F)F	L77	2-chloro-6-fluoro-n-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1h-indol-6-yl)benzamide
+CC1(CCC(c2c1ccc(c2)C3=CC=CC4C3CC(O4)\C=C\C(=O)O)(C)C)C	L79	(s)-(2e)-3[4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)tetrahydro-1-benzofuran-2-yl]-2-propenoic acid
+c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3	L7A	n-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide
+c1cc(ccc1C2(CCCC2)S(=O)(=O)c3ccc(cc3)F)C(C(F)(F)F)(C(F)(F)F)O	L7D	1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol
+CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cc(ccn2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS	L7G	(5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)O[C@H]4CCOC4)OC	L7H	~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{s})-oxolan-3-yl]oxy-quinazolin-4-amine
+c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)OCc4c(cncc4Cl)Cl)C(F)(F)F	L7J	6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1h-indole
+c1ccc(cc1)CCn2c(nnn2)[C@@H](C3CCCCC3)NN	L7K	[(~{r})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNS(=O)(=O)c4cccc5c4cccc5N(C)C	L7M	2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C@@H]2CONC2=O)O	L7N	(~{e})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{r})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium
+CNc1nccc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCCCC4	L7O	n-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide
+c1cc(ccc1CN2CCN(CC2)Cc3ccncc3)c4ccc(cc4F)C(C(F)(F)F)(C(F)(F)F)O	L7P	1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol
+CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(=O)N	L7S	3-[(3r)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
+c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)F	L7T	2,3,4,5,6-pentafluorobenzenesulfonamide
+c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl)C(=O)N4CCOCC4	L7Y	5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1h)-one
+c1c2cnc(nc2cc(c1Cl)[C@@H]3CCN(C[C@H]3F)[C@@H]4COC[C@@H]4O)Nc5cnn(c5Cl)[C@@H]6CC6(F)F	L80	(3r,4r)-4-{(3s,4s)-4-[6-chloro-2-({5-chloro-1-[(1r)-2,2-difluorocyclopropyl]-1h-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol
+CC1(CNc2c1cc(c(c2)O)C(=O)N3Cc4ccccc4C3)C	L81	1,3-dihydroisoindol-2-yl-(6-hydroxy-3,3-dimethyl-1,2-dihydroindol-5-yl)methanone
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O)O	L84	(1s,2r,4s,5s,6s)-5,6-bis(4-hydroxyphenyl)-n-{4-[3-(piperidin-1-yl)propoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
+c1cc(ccc1/N=N/c2ccc(cc2)S(=O)(=O)O)O	L85	4-[(e)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid
+c1ccc(cc1)C[C@H]2CNCCCNCCc3ccccc3CNC(=O)CN4C(=CN=C(C4=O)N2)Cl	L86	(11s)-11-benzyl-6-chloro-1,2,10,11,12,13,14,15,16,17,18,19-dodecahydro-5,9-methano-2,5,8,10,13,17-benzohexaazacycloheni cosine-3,24-dione
+CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4ccccc4C	L87	8-butyl-1-methyl-7-(2-methylphenyl)-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@H](CCC(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](CCC(=O)O)NC(=O)CCc4ccc(cc4)c5cc(cs5)c6ccccc6	L88	(4r,22r)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid
+c1cncc(c1N)N	L89	pyridine-3,4-diamine
+CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)F	L8A	1-(4-{(3r)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4cnco4)O	L8B	(4r)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-n-[4-(1,3-oxazol-5-yl)benzyl]-l-prolinamide
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO	L8C	n-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+CN1c2cnc(cc2CC[C@@H](C1=O)NC(=O)c3nc4n(n3)[C@@H](CC4)c5ccccc5)OC	L8D	(5s)-n-[(3s)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1h-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5h-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
+CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cccc(n2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS	L8G	(5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione
+COc1cc(cc2c1cccc2)N	L8H	4-methoxynaphthalen-2-amine
+CN1CC2(C1)CNC(=O)c3c2[nH]c-4c3CCc5c4cc(nc5)c6ccccc6F	L8I	2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'h)-one
+c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br	L8J	[(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
+C[C@@H]1CNCCN1c2nc3c(cccc3F)c(n2)Nc4cc([nH]n4)C(C)(C)C	L8M	n-(5-tert-butyl-1h-pyrazol-3-yl)-8-fluoro-2-[(2r)-2-methylpiperazin-1-yl]quinazolin-4-amine
+c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N	L8N	phenyl-(4-sulfamoylphenoxy)phosphinic acid
+C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O	L8P	({[(2s)-1-(4-amino-2-oxopyrimidin-1(2h)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
+COc1ccc(cc1O)[N+](=O)[O-]	L8Q	2-methoxy-5-nitro-phenol
+c1nc2c(n1[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)NC(=O)NC2=O	L8S	9-{5-o-[(s)-hydroxy{[(r)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-l-arabinofuranosyl}-3,9-dihydro-1h-purine-2,6-dione
+c1cc(c(nc1)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)C(=O)Nc4ccc(cc4F)F	L8V	2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-n-(2,4-difluorophenyl)pyridine-3-carboxamide
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NC45C6=C7[Fe]6489123(C7=C85)C4=C9[C]1C2=C34)c1ccc(cc1)Cl)C	L8W	 (+)-jd1
+CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F	L8Y	4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-n-methylpyridine-3-carboxamide
+CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4c(ccc5c4cn[nH]5)C	L90	8-butyl-1-methyl-7-(5-methyl-1h-indazol-4-yl)-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione
+CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F	L91	6-[(5-fluoropyridin-2-yl)amino]-n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
+Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4cccc4	L92	(2s)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(1h-pyrrol-1-yl)propanoic acid
+C[NH+](C)CCC[NH+]=C(c1ccc(cc1)/C(=[NH+]/CCC[NH+](C)C)/N)N	L94	n'-{(z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-n,n-dimethylpropane-1,3-diaminium
+CC/C=C\[C@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C/C(=C\[C@H](C)[C@H]([C@@H](C)/C=C\[C@H](C[C@H]1[C@@H](CCC(=O)O1)C)O)O)/C)O)OC(=O)N	L95	[(3~{z},5~{s},6~{s},7~{s},8~{r},9~{s},11~{z},13~{s},14~{s},15~{s},16~{z},18~{s})-5,7,9,11,13,15-hexamethyl-19-[(2~{s},3~{r})-3-methyl-6-oxidanylidene-oxan-2-yl]-8,14,18-tris(oxidanyl)nonadeca-3,11,16-trien-6-yl] carbamate
+Cc1c(c(n[nH]1)C)c2c3cc(ccc3n(c2c4cccc(c4)OC(C)C)CCC(=O)O)C5CC5	L96	3-{5-cyclopropyl-3-(3,5-dimethyl-1h-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1h-indol-1-yl}propanoic acid
+c1cc(c(nc1)Cl)N	L97	2-chloranylpyridin-3-amine
+c1cc(cc(c1)NC(=N)N)[C@@H](CS)C(=O)O	L98	(2r)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-sulfanylpropanoic acid
+c1cc(c(cc1C(=O)NN)N)N	L99	3,4-bis(azanyl)benzohydrazide
+CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)NC(=O)C3CC3	L9A	6-[(cyclopropanecarbonyl)amino]-n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
+c1cc(ccc1CCCCO)S(=O)(=O)N	L9B	4-(4-oxidanylbutyl)benzenesulfonamide
+[C@H]1([C@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)C(=O)O	L9D	(1s,2r,3s,4s,5s,6r)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid
+Cc1ccc(cc1c2nnc3n2cc(cc3)CCc4ccc(cc4F)F)C(=O)N	L9G	3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide
+CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCCc6c(nc7cc(ccc7n6)OC)O2)C(C)(C)C	L9J	(1ar,5s,8s,9s,10r,22ar)-5-tert-butyl-n-[(1r,2r)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8h-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide
+CS(=O)(=O)c1ccc(cc1)C2=CN/C(=N\Cc3cccc4c3cco4)/n5c2nnc5	L9K	(~{e})-~{n}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{h}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine
+c1cc(ccc1C[C@@H](CNc2ncc(s2)c3ccc4c(c3)CC(=O)N4)N)C(F)(F)F	L9L	5-[2-({(2s)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2h-indol-2-one
+Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)c(n[nH]4)C)N	L9M	(2s)-n~1~-[5-(3-methyl-1h-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine
+Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)cn[nH]4)N	L9N	(2s)-n~1~-[5-(1h-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine
+CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(c6c(nc7cc(ccc7n6)OC)O2)(F)F)C(C)(C)C	L9P	voxilaprevir
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC	L9Q	(1s)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	L9R	(2s)-3-(octadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
+c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5	L9S	n-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-n'-{3-[(2r)-1-(2-hydroxyethyl)-4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea
+Cc1c(sc(n1)NCc2cccc3c2OCO3)c4ccn(n4)C	L9T	n-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
+CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5	L9W	n-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N	L9X	l-gamma-glutamyl-s-[(3r)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-l-cysteinylglycine
+CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3	L9Y	4-{[(2s)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1h-inden-5-yl]oxy}butanoic acid
+C1[C@@H](C[C@@]([C@H]([C@@H]1O)O)(CN)O)C(=O)O	L9Z	(1~{s},3~{s},4~{s},5~{r})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
+[La+3]	LA	lanthanum (iii) ion
+CC(C)C[C@H]1C(=O)N(CCC(=O)N1Cc2cc3ccccc3nc2)[C@@H](Cc4ccc5ccccc5c4)C(=O)NC	LA1	(2r)-2-[3-isobutyl-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-n-methyl-3-(2-naphthyl)propanamide
+C(CCC(=O)NCCCC[C@@H](C(=O)O)N)C[C@H](CCS)S	LA2	n~6~-[(6r)-6,8-disulfanyloctanoyl]-l-lysine
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3ccc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O	LA3	(2r)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-n~4~-hydroxy-n~1~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]butanediamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O	LA4	beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O	LA5	beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose
+CC(=CCC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)C	LA6	(2e)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
+Cc1ccc(c(n1)CO)O	LA7	2-(hydroxymethyl)-6-methylpyridin-3-ol
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N	LA8	l-adenosine-5'-diphosphate
+C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C)P(=O)(C[C@@H](CCc1ccccc1)C(=O)O)O	LA9	(2s)-2-{[(r)-{(1r)-1-[(n-acetyl-l-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
+[C@H]([C@H](C(=O)O)O)(C(=O)N)N	LAA	(3r)-3-hydroxy-l-alpha-asparagine
+C[C@H]\1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)\C=C(/CC\C=C1)\C	LAB	latrunculin b
+C[C@H](C(=O)O)O	LAC	lactic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CCCCN)N)O)O)N	LAD	adenosine-5'-[lysyl-phosphate]
+CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O	LAE	3-oxo-octanoic acid (2-oxo-tetrahydro-furan-3-yl)-amide
+C(CC(=O)O)C(=O)CF	LAF	5-fluorolevulinic acid
+C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	LAG	maltosyl-alpha (1,4)-(z,3s,4s,5r,6r)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one oxime
+CC(C)OP(=O)(O)O[C@@H]1[C@H]([C@H](CO[C@H]1O)O)O	LAH	2-o-[(r)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-l-arabinopyranose
+C([C@@H]([C@@H]([C@H](C=O)O)O)O)O	LAI	l-arabinose
+CNC(=O)c1c(cc(nn1)Nc2ccccn2)Nc3ccccc3S(=O)(=O)C	LAJ	n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O)O	LAK	beta-d-galactopyranosyl-1-6-beta-d-glucopyranose
+C[C@@H](C(=O)O)N(C)C	LAL	n,n-dimethyl-l-alanine
+c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O	LAM	4'-nitrophenyl-s-(beta-d-glucopyranosyl)-(1-3)-(3-thio-beta-d-glucopyranosyl)-(1-3)-beta-d-glucopyranoside
+C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C	LAN	lanosterol
+C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O	LAO	2-o-phosphono-alpha-l-arabinopyranose
+CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O	LAP	[2-((1-oxododecanoxy-(2-hydroxy-3-propanyl))-phosphonate-oxy)-ethyl]-trimethylammonium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@@H]4CCSS4)O)O)N	LAQ	5'-o-[(r)-({5-[(3r)-1,2-dithiolan-3-yl]pentanoyl}oxy)(hydroxy)phosphoryl]adenosine
+C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(\CC/C=C/C=C1)/C	LAR	latrunculin a
+C[C@@H]1[C@@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)SCC(C(=O)O)NC(=O)C)O	LAS	n-acetyl-s-({(2r,3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	LAT	beta-lactose
+CCCCCCCCCCCC(=O)O	LAU	dodecanoic acid
+CC(C)C[C@@H](CN[C@@H](C(C)C)C(=O)O)N	LAV	n-[(2s)-2-amino-4-methylpentyl]-l-valine
+CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O	LAX	eicosa-8,11,14-trienoic acid
+CC(C)C[C@@H](C(=O)O)NC(=O)C	LAY	n-acetyl-l-leucine
+c1cc(ccc1C(=O)NCCO)Cl	LAZ	n-(2-aminoethyl)-p-chlorobenzamide
+CN1CCN(CC1)C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)O3	LB1	(1s,2r,3s,4r)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LB2	3-o-beta-d-glucopyranosyl-beta-d-glucopyranose
+Cc1cc(ncc1F)Nc2cc(c(cn2)C(=O)NC)Nc3cccc(c3OC)C(=O)NCc4ccccn4	LB4	6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-n-methylpyridine-3-carboxamide
+Cc1ccccc1n2cc(cn2)C(=O)NCc3ncc(s3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N	LB5	~{n}-[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide
+c1cc(cc2c1ccn2CC(=O)NCC(=O)O)Br	LB6	n-[(6-bromo-1h-indol-1-yl)acetyl]glycine
+CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncn(n4)C	LB7	6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl]amino}-n-methylpyridazine-3-carboxamide
+Cc1ccc(cc1NC(=O)c2cnn(c2C(F)(F)F)c3ccccc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N	LB8	~{n}-[5-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
+c1cc(ccc1c2[nH]c3ccc(cc3n2)C(=O)O)OC[C@H](COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(=O)O)O	LBA	2-(4-{3-[4-(6-carboxy-1h-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1h-benzimidazole-5-carboxylic acid
+Cc1ccccc1n2cc(cn2)C(=O)Nc3cc(ccc3C)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N	LBB	~{n}-[5-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
+C[C@@H]1CNCCN1c2nc3ccccc3c(n2)Nc4cc(n[nH]4)C(C)(C)C	LBD	n-(3-tert-butyl-1h-pyrazol-5-yl)-2-[(2r)-2-methylpiperazin-1-yl]quinazolin-4-amine
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NCCCC4CCCCC4)N	LBE	5-azanyl-~{n}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C	LBF	leptomycin b
+COC(=O)c1cc(c(c(c1)Cl)O)S(=O)(=O)Nc2cc(c(cc2F)F)c3ccccc3	LBG	methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl)sulfamoyl]-4-hydroxybenzoate
+Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C=C/C(=O)NO	LBH	panobinostat
+C[C@H](c1ccccc1)Nc2c3cc(c(cc3ncn2)OC)OC	LBK	6,7-dimethoxy-~{n}-[(1~{r})-1-phenylethyl]quinazolin-4-amine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O	LBL	(2~{r},3~{r},4~{r},5~{r})-4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5, 6-tetrakis(oxidanyl)hexanal
+CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C	LBM	4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-n-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1h-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	LBN	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
+CCCC[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N	LBP	(2s)-2-amino-4-(s-butyl-n-phosphonosulfonimidoyl)butanoic acid
+c1cc(oc1)CNc2ccc(cc2)S(=O)(=O)N	LBQ	4-(furan-2-ylmethylamino)benzenesulfonamide
+CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCBr	LBR	(2s)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)O)O)O)O)O)O	LBS	6-o-beta-d-fructofuranosyl-beta-d-fructofuranose
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	LBT	alpha-lactose
+COC(=O)[C@@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O	LBU	methyl (2s)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylate
+C/C=C/1\C(C(=O)N\C1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C	LBV	3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(z)-[(3e)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3- yl]propanoic acid
+C/C=C/1\[C@H](C(=O)N\C1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C	LBW	3-[2-[(z)-[5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(z)-[(3e,4r)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N	LBY	n~6~-(tert-butoxycarbonyl)-l-lysine
+c1ccc(cc1)C(=O)NCCCC[C@@H](C(=O)O)N	LBZ	(2~{s})-2-azanyl-6-benzamido-hexanoic acid
+C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O	LC	l-cytidine-5'-monophosphate
+Cn1cc(cn1)c2cnc(c(n2)OCc3cc(c(cn3)OCc4ccc(cc4)OC)OC)N	LC0	3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1h-pyrazol-4-yl)pyrazin-2-amine
+c1cc2c(cc1S(=O)(=O)N)nc([nH]2)c3cscn3	LC1	2-(1,3-thiazol-4-yl)-1h-benzimidazole-5-sulfonamide
+C[C@@H]1[C@H]2C[C@@H](/C=C/C(=C/C[C@@H](/C=C/C(=C/[C@H]([C@@](C1=O)(C(=O)O2)C)NC(=O)C(=O)C)/C)O)/C)O	LC2	n-[(1s,2r,3e,5e,7s,9e,11e,13s,15r,19r)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide
+c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O)c5ccc(cc5)C(=O)O	LC3	7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
+c1cn(cn1)CCCCCCCCCCCC(=O)O	LC4	12-(1h-imidazol-1-yl)dodecanoic acid
+CN(C(=O)C[C@@H](CCCc1cccc2c1cccc2)CP(=O)(O)O)O	LC5	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid
+Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7	LC6	7-(4-{[(4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
+CN(C(=O)C[C@@H](CCCc1cccc(c1)F)CP(=O)(O)O)O	LC7	[(2r)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid
+c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N	LC8	4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N	LCA	[(1r,3r,4r,7s)-7-hydroxy-3-(adenin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CCc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N	LCB	4-[(6-ethyl-7~{h}-purin-2-yl)amino]benzenesulfonamide
+CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O	LCC	[(1r,3r,4r,7s)-7-hydroxy-3-(5-methylcytosin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+COc1ccc(cc1OC)/C=C\2/C(=O)c3ccc(cc3O2)OCC(=O)O	LCD	{[(2z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid
+CO[C@@H]1[C@@H]([C@@H]2[C@H](S1)C(C2=O)(Cl)Cl)C(=O)O	LCE	(1s,3s,4s,5s)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid
+CC1(Cc2c(c(c(n2C1)CC(=O)O)c3ccc(cc3)Cl)c4ccccc4)C	LCF	[6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-yl]acetic acid
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N=C(NC2=O)N	LCG	[(1r,3r,4r,7s)-7-hydroxy-3-(guanin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O	LCH	[(1r,3r,4r,7s)-7-hydroxy-3-(5-methylcytosin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+Cn1c(c(cn1)c2c(cnc(n2)NC3CCC(CC3)[NH3+])F)CC4CC4	LCI	[4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium
+c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO	LCJ	5-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
+C/C(=N/CCCC[C@@H](C(=O)O)N)/CC(=O)O	LCK	(z)-n~6~-(2-carboxy-1-methylethylidene)-l-lysine
+c1cc(ccc1[C@@H]([C@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	LCL	2,2-dichloro-n-[(1s,2s)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
+c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O	LCM	n,n'-butane-1,4-diylbis(2,3-dihydroxybenzamide)
+C1=C([C@H]([C@@H]([C@H](O1)CO)O)O)O	LCN	1,5-anhydro-d-arabino-hex-1-enitol
+[O-]Cl(=O)=O	LCO	chlorate ion
+[O-]Cl(=O)(=O)=O	LCP	perchlorate ion
+c1ccc(cc1)Nc2nc(c3c(n2)[nH]cn3)C#N	LCQ	2-phenylazanyl-9~{h}-purine-6-carbonitrile
+c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O	LCR	(2-{4-[(r)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CONC2=O)O	LCS	[5-hydroxy-6-methyl-4-({[(4e)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate
+CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-]	LCT	n-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
+C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	LCV	(2~{s})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid
+C=Cc1c2c([nH]cn2)nc(n1)Nc3ccc(cc3)CC(=O)N	LCW	2-[4-[(6-ethenyl-9~{h}-purin-2-yl)amino]phenyl]ethanamide
+C(CCNC(=O)O)C[C@@H](CO)N	LCX	carboxylated lysine
+CN1C(=O)CCC1=O	LCY	1-methylpyrrolidine-2,5-dione
+CC(C)C[C@@H](C=O)N	LCZ	(2s)-2-amino-4-methylpentanal
+c1ccc(cc1)[C@H]2C(=Nn3cnnc3S2)c4ccc5c(c4)NC(=O)CO5	LD1	6-[(7s)-7-phenyl-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2h-1,4-benzoxazin-3(4h)-one
+c1ccc(cc1)C/C(=N\n2cnnc2S)/c3ccc4c(c3)NC(=O)CO4	LD2	6-[(1e)-2-phenyl-n-(3-sulfanyl-4h-1,2,4-triazol-4-yl)ethanimidoyl]-2h-1,4-benzoxazin-3(4h)-one
+c1cnc(nc1)NC2CCCCCC2	LD4	n-cycloheptylpyrimidin-2-amine
+C=Cc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N	LD5	4-[(6-ethenyl-7~{h}-purin-2-yl)amino]benzenesulfonamide
+CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)F)N)S(=O)(=O)c3ccccc3	LD6	n-(6-amino-1-(3-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+CCc1nc(on1)C(=O)NCc2ccc(cc2)F	LD7	3-ethyl-n-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
+COc1ccnc(n1)OC	LD8	2,4-dimethoxypyrimidine
+c1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O	LD9	[6-(phenylamino)-1-benzofuran-3-yl]acetic acid
+CCCCCCCCCCCC[N+](C)(C)[O-]	LDA	lauryl dimethylamine-n-oxide
+C1=CNC(=O)NC1=S	LDB	4-thiouracil
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)CO)O	LDC	4-amino-1-(2-deoxy-beta-l-erythro-pentofuranosyl)pyrimidin-2(1h)-one
+COc1ccc(cc1)C(=O)N2CCCCCC2	LDD	(azepan-1-yl)(4-methoxyphenyl)methanone
+CC(C)C[C@H](N)P(=O)(C[C@H](CCC(=O)O)C(=O)O)O	LDE	(2r)-2-{[(s)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid
+COc1cc2c(c(c1CNC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C(=O)N3)OC)C(=O)c6ccccc6C2=O	LDG	2'-deoxy-n-[(1,3-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl]guanosine 5'-(dihydrogen phosphate)
+CCNCCCC[C@@H](C(=O)O)N	LDH	n~6~-ethyl-l-lysine
+CC(C)C(=O)/N=C\1/NN=C(S1)[C@@H]2CCCO2	LDJ	2-methyl-n-{5-[(2s)-oxolan-2-yl]-1,3,4-thiadiazol-2(3h)-ylidene}propanamide
+C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O	LDK	(2~{s})-2-[[(2~{s})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid
+CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]	LDM	3-laurylamido-n,n'-dimethylpropylaminoxyde
+c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	LDN	4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
+C(CCO)C[C@@H](C(=O)O)N	LDO	6-hydroxy-l-norleucine
+c1cc(c(cc1CCN)O)O	LDP	l-dopamine
+C[C@@H]1C[C@@H]2[C@@H]3[C@H]1[C@H](CN2C)C4=CC=CC(=O)N4C3	LDQ	hosieine
+c1ccc2c(c1)-c3ccccc3NC2=O	LDR	phenanthridin-6(5h)-one
+CCOc1ccc(cc1)NC(=O)c2cnccn2	LDS	n-(4-ethoxyphenyl)pyrazine-2-carboxamide
+c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br	LDT	idd594
+C1[C@H]([C@H]([C@H](N1)CO)O)O	LDU	dideoxy-imino-lyxitol
+CC1CCN(CC1)Cc2c[nH]c3c2cccc3	LDV	3-[(4-methylpiperidin-1-yl)methyl]-1h-indole
+c1cc(ccc1Oc2ccc(nc2)N)F	LDW	5-(4-fluoranylphenoxy)pyridin-2-amine
+C1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O	LDY	alpha-d-lyxopyranose
+CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	LDZ	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s)-4-methyl-1-oxopentan-2-yl]-l-leucinamide
+CC(C)([C@@H](C(=O)O)N)S	LE1	3-sulfanyl-l-valine
+c1ccc(cc1)CCNC=S	LE2	n-(2-phenylethyl)thioformamide
+C[S@@](=O)CCCCNC=S	LE3	n-{4-[(r)-methylsulfinyl]butyl}thioformamide
+c1cnc(nc1CO)NC2CCCCCC2	LE4	[2-(cycloheptylamino)pyrimidin-4-yl]methanol
+CCCc1cc([nH]n1)C(=O)NCc2ccc(cc2)F	LE7	n-[(4-fluorophenyl)methyl]-3-propyl-1h-pyrazole-5-carboxamide
+CCCCC(=O)O	LEA	pentanoic acid
+CNCc1ccc2c(c1)c3ccc(cc3n2CC(F)(F)F)Br	LEB	1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{n}-methyl-methanamine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O	LEC	4-nitrophenyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
+C[C@H](C[C@@H](C(=O)O)N)C=O	LED	(4r)-5-oxo-l-leucine
+CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	LEE	l-gamma-glutamyl-s-hexyl-l-cysteinylglycine
+C[C@@H](C[C@@H](C(=O)O)N)CF	LEF	(4s)-5-fluoro-l-leucine
+CCCCCCc1ccc(cc1)C(=O)C=C	LEG	1-(4-hexylphenyl)prop-2-en-1-one
+CC(C)C[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1	LEH	n-[12-(1h-imidazol-1-yl)dodecanoyl]-l-leucine
+CC(C)([C@H](C(=O)O)N)S	LEI	3-sulfanyl-d-valine
+c1cc(ccc1CNC(=O)c2ccn(n2)C(F)F)F	LEJ	1-(difluoromethyl)-n-[(4-fluorophenyl)methyl]-1h-pyrazole-3-carboxamide
+CCn1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC	LEK	1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{n}-methyl-methanamine
+c1cnc(cc1C(=O)O)c2cn[nH]n2	LEL	2-(2h-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid
+CC(C)C[C@@H](C(=O)C)N	LEM	(3s)-3-amino-5-methylhexan-2-one
+CC(C)CCN	LEN	3-methylbutan-1-amine
+CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C	LEO	d-limonene 1,2-epoxide
+CC(C)C[C@@H](C(=O)N)NP(=O)(O)O	LEP	n~2~-phosphono-l-leucinamide
+CN1C=C(C=CC1=O)C(=O)N2CCc3c(ccs3)C2	LEQ	5-(6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one
+C([C@@H](C(=O)CO)O)O	LER	l-erythrulose
+c1cnc(nc1)N[C@H]2CCCCNC2	LES	(3s)-n-(pyrimidin-2-yl)azepan-3-amine
+C(CC/N=C(\CCC(=O)O)/COCC(=O)CCC(=O)O)C[C@@H](C(=O)O)N	LET	(z)-n^6-{3-carboxy-1-[(4-carboxy-2-oxobutoxy)methyl]propylidene}-l-lysine
+CC(C)C[C@@H](C(=O)O)N	LEU	leucine
+CC(C)C[C@@H](C(=O)[O-])[NH-]	LEU_LEO2	l-leucine c-terminal deprotonated fragment
+CC(C)C[C@@H](C(=O)O)[NH-]	LEU_LEO2H	l-leucine c-terminal protonated fragment
+CC(C)C[C@@H](C(=O)O)N	LEU_LFOH	l-leucine free neutral
+CC(C)C[C@@H](C(=O)[O-])[NH3+]	LEU_LFZW	l-leucine free zwitterion
+CC(C)C[C@@H]([C-]=O)[NH-]	LEU_LL	l-leucine - linking embedded fragment
+CC(C)C[C@@H]([C-]=O)[NH3+]	LEU_LSN3	l-leucine n-terminal protonated fragment
+COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4	LEV	4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide
+c1ccc2c(c1)cccc2c3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	LEW	1-beta-d-glucopyranosyl-4-naphthalen-1-yl-1h-1,2,3-triazole
+CC(C)C[C@@H](C(=O)CO)N	LEX	(3s)-3-amino-1-hydroxy-5-methylhexan-2-one
+CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F	LEY	n-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1h-imidazole-5-carboxamide
+c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NCc4cccc(c4)Cl	LEZ	~{n}-[(3-chlorophenyl)methyl]-1-(1~{h}-indol-3-ylmethyl)piperidin-4-amine
+Cc1c(c(c2ccccc2n1)c3ccc4c(c3)CCCO4)[C@@H](C(=O)O)OC(C)(C)C	LF0	(2s)-tert-butoxy[4-(3,4-dihydro-2h-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid
+C[C@@H]1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N(C(=O)N3C)C	LF1	n-[1,3-dimethyl-6-[(2r)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-2-methoxy-benzamide
+Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C	LF2	(2s)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid
+CC(C)c1cc([nH]n1)C(=O)NCc2ccc(cc2)F	LF4	n-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1h-pyrazole-5-carboxamide
+[H]/N=C(/c1cc2c(ccc(c2s1)OC(C)C)Cl)\N	LF5	4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
+CC1=N/C(=N/[C@@H]2CCC[C@H]2CO)/SN1	LF6	{(1r,2r)-2-[(z)-(3-methyl-1,2,4-thiadiazol-5(2h)-ylidene)amino]cyclopentyl}methanol
+[H]/N=C/[C@@H]1CCCN1C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O	LF7	2-{[(1r,3s,5r,7s)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2s)-2-[(e)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne
+Cc1ccc(cc1C)c2c(c(c(c(n2)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)C	LF8	(2s)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid
+Cc1c(c(c(nc1c2[nH]c3ccc(cc3n2)Cl)C)[C@@H](C(=O)O)OC(C)(C)C)c4ccccc4	LF9	(2s)-tert-butoxy[6-(5-chloro-1h-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
+CCCCCCCCCCCCCCCCCCCC	LFA	eicosane
+[H]/N=C(\c1cc2cccc(c2s1)OC)/N	LFB	7-methoxy-1-benzothiophene-2-carboximidamide
+C[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O	LFC	6-deoxy-l-galactonic acid
+c1cc(ccc1NC(=O)O[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)N4CCN(CC4)c5ccc(c(c5)Cl)Cl	LFD	(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate
+Cc1c(sc-2c1[C@@H](N[C@H](c3n2c(nn3)C)CC(=O)N[C@H]4COCCOCCOCC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)NCc6ccc(cc6OCCOCCOC4)c7c(ncs7)C)O)C(C)(C)C)c8ccc(cc8)Cl)C	LFE	~{n}-[(5~{s},7~{r},11~{s},23~{s})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{s},9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O)NC(=O)C	LFF	(2s)-3-[(r)-{(1r)-1-[(n-acetyl-l-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid
+C1CCCC(CC1)Nc2nnc(o2)C3CC3	LFG	n-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine
+C1NC[S]2[Fe]3([S-]1[Fe]2(C3=O)(C#N)(C#[O+])[S])(C#N)C#[O+]	LFH	dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethanethiolatato-1kappas:2kappas)-mu-(oxomethylidene)diiron(2+) sulphide
+CC(=O)N1CCN(CC=C1)C(=O)c2ccc3c(c2)OCO3	LFJ	1-[4-(2h-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1h-1,4-diazepin-1-yl]ethan-1-one
+c1cc(cc(c1)O)C(=O)Oc2cccc(c2)C(=O)O	LFK	3-(3-hydroxyphenyl)carbonyloxybenzoic acid
+c1cc(ccc1CNC(=O)c2cnn3c2OCCC3)F	LFM	n-[(4-fluorophenyl)methyl]-6,7-dihydro-5h-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C	LFN	lumiflavin
+CNC(=O)c1cn(c2c1cccc2)C	LFO	n,1-dimethyl-1h-indole-3-carboxamide
+Cn1c(c(cn1)C(=O)NCc2ccc(cc2)F)Cl	LFP	5-chloro-n-[(4-fluorophenyl)methyl]-1-methyl-1h-pyrazole-4-carboxamide
+[H]/N=C(/c1cc(c(s1)C)c2ccccc2)\N	LFQ	5-methyl-4-phenyl-thiophene-2-carboximidamide
+C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O)O	LFR	beta-l-fructofuranose
+CC(C)c1ccc(cc1)NC(=O)O[C@H](Cn2ccnc2)c3ccc(cc3)F	LFS	(1s)-1-(4-fluorophenyl)-2-(1h-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate
+CC(C)c1ccc(cc1)NC(=O)O[C@H](Cn2ccnc2)c3ccc(cc3)Cl	LFT	(1s)-1-(4-chlorophenyl)-2-(1h-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate
+c1cc(ccc1c2nnc(o2)c3ccc(cc3F)OCC(F)(F)F)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl	LFV	n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide
+Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)I	LFW	(3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate
+C[C@H]1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O	LFX	(3s)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
+CCn1cc(nc1)C(=O)NCc2ccc(cc2)F	LFY	1-ethyl-n-[(4-fluorophenyl)methyl]-1h-imidazole-4-carboxamide
+c1cc(ccc1CC(=O)O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F	LFZ	2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid
+c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	LG	l-guanosine-5'-monophosphate
+COc1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCN(C3=O)c4ccc(cc4)C5(CC5)CN6CCCC6	LG0	1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+Cc1cc2c3cc(ccc3[n+](c-4c2c(c1)N(c5c4cc(cc5)F)C)C)F	LG1	3,11-difluoro-6,8,13-trimethyl-8h-quino[4,3,2-kl]acridin-13-ium
+Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(CCC2(C)C)(C)C	LG2	6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid
+c1cnc(nc1N)N	LG3	pyrimidine-2,4-diamine
+Cc1ccc(nc1)N	LG4	5-methylpyridin-2-amine
+CN1CC=CC(=C1)N	LG5	1-methyl-1,6-dihydropyridin-3-amine
+C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)OP(=O)(O)O	LG6	l-guluronic acid 6-phosphate
+c1ccc2c(c1)c(ccc2N3C(=O)[C@@H]4[C@@H](CCN4C3=O)O)C#N	LG7	4-[(7r,7as)-7-hydroxy-1,3-dioxotetrahydro-1h-pyrrolo[1,2-c]imidazol-2(3h)-yl]-1-naphthonitrile
+C[N+]1=CC(=C2C(=C3c4ccccc4[N+]5=C3C[C@@H](CC5)CN(C)C)C(=O)NC2=O)c6c1cccc6	LG8	3-(8-dimethylaminomethyl-6,7,8,9-tetrahydro-pyrido[1,2-a]indol-10-yl)-4-(1-methyl-1h-indol-3-yl)-pyrrole-2,5-dione
+C1[C@@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@H]2O)O)CO)CO)O	LG9	(1r,2r,3r,6r,7r,7ar)-3,7-bis(hydroxymethyl)hexahydro-1h-pyrrolizine-1,2,6-triol
+c1cnc(nc1)N	LGA	pyrimidin-2-amine
+Cc1c(ccc(c1Cl)C#N)/N=C\2/N3CC[C@@H]([C@H]3[C@@H](O2)C(F)(F)F)O	LGB	2-chloro-4-{[(1r,3z,7s,7as)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1h-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met hylbenzonitrile
+C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O	LGC	d-glucono-1,5-lactone
+c1cc2c(cc1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F	LGD	6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)quinolin-2(1h)-one
+Cc1c(c(c2c(n1)C(=O)N(C2)CC(=O)OC)c3ccc(cc3Cl)Cl)CN	LGE	methyl [3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]acetate
+COc1c(cc2c(c[nH]c2n1)C(=O)C(=O)N3CC[C@H](C3)O)C(=O)N4CCn5c(cnc5c6ccc(cc6F)F)C4	LGF	1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{h}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{r})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione
+CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C	LGG	n-acetyl-l-alpha-glutamyl-l-phenylalanyl-l-glutaminyl-n-[(1s)-4-amino-1-(2-carboxyethyl)-4-oxobutyl]-l-leucinamide
+Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]	LGH	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
+CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)C5=NNC(=O)N5)C(F)(F)F	LGJ	n-(3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
+CS(=O)(=O)c1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C6=NNC(=O)N6)C3=O	LGK	6-(2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+c1ccc(c(c1)CN2CCCC2)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O	LGL	1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+Cc1c2c(n(n1)c3cccc(c3)C4=NNC(=O)N4)C(=O)N(CC2)c5ccc(cc5)c6ccccc6CN7CCCC7	LGM	3-methyl-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	LGN	n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->3)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
+c1nc2c(n1CO[C@@H](CO)COP(=O)(O)O)N=C(NC2=O)N	LGP	n9-1-hydroxy-prop-2-oxymethyl-guanine-3'-monophosphate
+c1ccc(cc1)c2nc(c3c(n2)[nH]nc3Nc4ccc(cc4)C(F)(F)F)N	LGQ	6-phenyl-~{n}3-[4-(trifluoromethyl)phenyl]-1~{h}-pyrazolo[3,4-d]pyrimidine-3,4-diamine
+CC(=O)N(C)c1ccccc1C(=O)O	LGR	2-[acetyl(methyl)amino]benzoic acid
+CCCCCCCC/N=C\1/N2[C@H](CO1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O	LGS	(3z,5s,6r,7s,8r,8ar)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
+[C@@H]([C@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O	LGT	l-glucaric acid
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@H]1O)O)C(=O)O)O)O	LGU	alpha-l-gulopyranuronic acid
+c1cc2c(nc(nn2c1)CNC(=O)c3ccc(nc3)F)Nc4cc(n[nH]4)C5CC5	LGV	n-({4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide
+c1cc2c(nc(nn2c1)[C@@H]3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6	LGW	n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-{(2s)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
+c1cc2c(nc(nn2c1)[C@H]3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6	LGX	n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-{(2r)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
+C(CC/N=C/CCC=O)C[C@@H](C(=O)O)N	LGY	(e)-n~6~-(4-oxobutylidene)-l-lysine
+c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@H]3c4ccccc4C[C@H]3OC(=O)N)Cc5ccccc5)O)NC(=O)OC6CCOC6	LGZ	carbamic acid 1-{5-benzyl-5-[2-hydroxy-4-phenyl-3-(tetrahydro-furan- 3-yloxycarbonylamino)-butyl]-4-oxo-4,5-dihydro-1h-pyrrol-3-yl}- indan-2-yl ester
+[H]/N=C(\c1ccc(cc1)NC[C@@H]2Cc3ccccc3B(O2)O)/N	LH2	4-[[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide
+COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccc(cc5)C(=O)OC	LH3	methyl 4-(2-{5-[(3as,4s,6ar)-2-oxo-hexahydro-1h- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate
+c1cc(c(c(c1)c2ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7	LH4	5-[(3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4- d]imidazolidin-4-yl]-n'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide
+[H]/N=C(/c1ccc(cc1OCc2cccnc2)[C@@H]3Cc4ccccc4B(O3)O)\N	LH5	4-[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
+Cc1c(cnn1[C@H]2CCS(=O)(=O)C2)C(=O)NCc3ccc(cc3)F	LH7	1-[(3s)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-n-[(4-fluorophenyl)methyl]-5-methyl-1h-pyrazole-4-carboxamide
+[H]/N=C(/c1ccc(cc1)[C@@H]2Cc3ccccc3B(O2)O)\N	LH8	4-[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide
+CCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO)O	LH9	[(2~{s})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate
+c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)NC(=O)[C@H](CCN)O)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N	LHA	doubly functionalized paromomycin pm-ii-162
+COCN1C=C(C(=NC1=O)N)CNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	LHB	5-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]methyl]-4-azanyl-1-(methoxymethyl)pyrimidin-2-one
+C1=CN(C(=O)N=C1N)CC[C@@H](C(=O)O)N	LHC	(2s)-2-amino-4-(4-amino-2-oxopyrimidin-1(2h)-yl)butanoic acid
+COCN1C=C(C(=NC1=O)N)C[NH2+]CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	LHD	2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]azanium
+CCC[C@@H](C(=O)O)NC[C@H]([C@H](CC(C)C)N)O	LHE	n-[(2r,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-norvaline
+c1cc(ccc1OCCN2C=C(C(=NC2=O)N)CNCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Br	LHF	5-[[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC	LHG	1,2-dipalmitoyl-phosphatidyl-glycerole
+CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	LHH	[(2~{r},3~{r},4~{r},5~{r})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H](C(=O)NCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)[C@@H](C)O[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)CO)OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)NC(=O)C	LHI	[(2r,3r,4r,5s,6r)-4-[(2r)-1-[[(2s)-1-[2-[2-[2-[5-[(3as,4s,6ar)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-acetamido-5-[(2s,3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl] [oxidanyl(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate
+Cc1ccc(cc1C2=Cc3cnn(c3N(C2=O)C)c4ccc(cc4F)F)C(=O)NC5CC5	LHJ	n-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
+C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H](CC(=O)O)C(=O)O	LHK	(2~{s})-2-[[(2~{s})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid
+CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C	LHL	3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F	LHM	n-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
+Cc1ccc2c(c1)C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	LHO	2-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methylisoquinoline-1(2h)-thione
+CCC(=O)O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)C	LHP	(3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4=CCC=CCO4)O	LHQ	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate
+CC(=O)Nc1ccc2cn[nH]c2c1	LHR	n-(1h-indazol-6-yl)acetamide
+COCc1nc(no1)C(=O)NCc2ccc(cc2)F	LHS	n-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	LHT	hydrolysed ertapenem
+C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O	LHU	l-uridine-5'-monophosphate
+CC(C)[C@@H](C(=O)O)O	LHV	(2s)-2-hydroxy-3-methylbutanoic acid
+O[Mo]123[O+]4[Mo]56(O[Mo]47(O[Mo]89([O+]1[Mo]1(O8)(O[Mo]48([O+]2[Mo](O4)(O5)(O[Mo]24(O6)([O+2]33[Mo](O7)(O9)(O2)(O[Mo]3(O8)(O1)(O4)O)O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O	LHW	mo(10)-o(35) cluster
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)NO	LHY	l-[(n-hydroxyamino)carbonyl]phenylalanine
+Cc1cnc(nc1c2cn3c(n2)C(=O)N([C@H](C3)COC)Cc4ccc(c(c4)F)F)Nc5ccnn5C	LHZ	(6~{r})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
+[Li+]	LI	lithium ion
+CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(CC4)(Cc5ccccc5)OC	LI0	4-(4-benzyl-4-methoxypiperidin-1-yl)-n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide
+CC(C)CCCCCCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C	LI1	1-[2,6,10.14-tetramethyl-hexadecan-16-yl]-2-[2,10,14-trimethylhexadecan-16-yl]glycerol
+c1cc2c(cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4)c(c[nH]2)CCc5ccncc5	LI2	3-fluoro-5-morpholin-4-yl-n-[3-(2-pyridin-4-ylethyl)-1h-indol-5-yl]benzamide
+c1cc2c(cc[nH]2)cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4	LI3	3-fluoro-n-1h-indol-5-yl-5-morpholin-4-ylbenzamide
+c1ccc2c(c1)cccc2COc3cccnc3N	LI4	3-(1-naphthylmethoxy)pyridin-2-amine
+CCC(=O)C(=O)C[C@H](CO[P@H](=O)O)O	LI5	2-hydroxy-4,5-dioxoheptyl hydrogen phosphonate
+CN1c2ccccc2C(=C(C1=O)O)O	LI6	3,4-dihydroxy-1-methylquinolin-2(1h)-one
+c1ccc2c(c1)/C(=N/c3ccc(cc3)O)/C(=O)N2	LI7	(3e)-3-[(4-hydroxyphenyl)imino]-1h-indol-2(3h)-one
+CC(C)(C(=O)N)C(=O)NCCCNc1c(cnc(n1)Nc2cccc(c2)NC(=O)N3CCCC3)Br	LI8	n-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide
+C[C@@H](c1ccccc1)Nc2nccc(n2)C3=C(C(=O)N(N3C)C4CCNCC4)c5ccc(cc5)F	LI9	4-(4-fluorophenyl)-1-methyl-5-(2-{[(1s)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3h-pyrazol-3-one
+COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F	LIA	(4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone
+C[C@@H](C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)Nc3ccccc3Cl	LIB	3-(2-chlorophenyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
+C[C@@H](C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)NCc3ccccc3Cl	LIC	3-(2-chlorobenzyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
+CCn1c2c(cnc(n2)Nc3c(cccc3F)F)nc1Nc4ccccc4Cl	LID	8-(2-chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9h-purine-1,7-diium
+CC(C)n1c2c(cnc(n2)Oc3c(cccc3F)F)nc1Nc4ccccc4F	LIE	2-(2,6-difluorophenoxy)-n-(2-fluorophenyl)-9-isopropyl-9h-purin-8-amine
+COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F	LIF	n-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-n'-[2-fluoro-5-(trifluoromethyl)phenyl]urea
+c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4	LIG	3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole
+Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4	LIH	6-([5-quinolylamino]methyl)-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
+Cc1c(cnc2c1c(nc(n2)N)N)\C=C/c3cc(ccc3OC)OC	LII	(z)-6-(2-[2,5-dimethoxyphenyl]ethen-1-yl)-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
+CCCC(CCC)S(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNCc2cccc(c2)OC)O)NC(=O)OCc3ccccc3	LIJ	benzyl [(1s)-2-({(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}amino)-2-oxo-1-{[(1-propylbutyl)sulfonyl]methyl}ethyl]carbamate
+CCCCC(=C)CCC(=C)CC(=O)O	LIK	3,6-bis(methylene)decanoic acid
+CCCCCCCCCCCC[C@@H](CC(=O)O)OC(=O)CCCCCCCCCCCC	LIL	2-tridecanoyloxy-pentadecanoic acid
+CCCCCCCCCCCCC(=O)CC(=O)O	LIM	3-oxo-pentadecanoic acid
+CC(=O)CC(=O)O	LIN	3-oxo-butyric acid
+CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	LIO	[1-pentadecanoyl-2-decanoyl-glycerol-3-yl]phosphonyl choline
+[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O	LIP	l-myo-inositol-1-phosphate
+CCCCCS(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNCc2cccc(c2)CC)O)NC(=O)c3cccnc3	LIQ	n-{(1s)-2-({(1s,2r)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}amino)-2-oxo-1-[(pentylsulfonyl)methyl]ethyl}nicotinamide
+CN1C(=O)c2c([n+](c([nH]2)N3CCC[C@@H](C3)N)Cc4ccccc4C#N)C1=O	LIR	2-[(3s)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-ium
+C1[C@@H](O1)C[C@@H](C(=O)O)N	LIS	(2s,4s)-2-amino-4,5-epoxipentanoic acid
+c1cc(oc1c2nnc(o2)SCC(=O)O)[N+](=O)[O-]	LIT	{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid
+CC1(CCN(CC1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c(c3)[N+](=O)[O-])NC(C)(C)CSc4ccccc4)C	LIU	n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)N)O)O)N	LIV	(2r,3s,4s,5s,6r)-2-((2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3s,4r,5s)-5-((1r,2r,3s,5r,6s)-3,5-diamino-2-((2s,3r ,5s,6r)-3-amino-5-hydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-4-hydroxy-2-(hydroxymet hyl)-tetrahydrofuran-3-yloxy)-4-hydroxy-tetrahydro-2h-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2h-pyran-3,4,5-triol
+CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccccc6	LIW	4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide
+CCc1c(c(nc(n1)N)NCCNS(=O)(=O)c2ccc3ccccc3c2)c4ccc5c(c4)N(C(=O)C(O5)(C)C)CCCOC	LIX	n-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl]pyrimidin-4-yl}amino)ethyl]naphthalene-2-sulfonamide
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N([C@@H](CC3)c4ccccc4)CCCOC	LIY	6-ethyl-5-[(2s)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
+c1cc(ccc1C[C@H](C[N@](CC(=O)O)[C@H]2CCCC[C@@H]2N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO	LIZ	n-{(1s,2s)-2-[bis(carboxymethyl)amino]cyclohexyl}-n-{(2r)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine
+Cc1cc(cc(c1O)C)\C=C\c2ccccc2	LJ1	2,6-dimethyl-4-[(e)-2-phenylethenyl]phenol
+c1ccc(cc1)\C=C\c2cc(c(c(c2)Br)O)Br	LJ2	2,6-dibromo-4-[(e)-2-phenylethenyl]phenol
+c1ccc(cc1)c2cc(c(c(c2)Br)O)Br	LJ3	3,5-dibromobiphenyl-4-ol
+c1ccc(cc1)Oc2cc(c(c(c2)Br)O)Br	LJ4	2,6-dibromo-4-phenoxyphenol
+c1ccc(cc1)C(=O)Nc2cc(c(c(c2)Br)O)Br	LJ5	n-(3,5-dibromo-4-hydroxyphenyl)benzamide
+Cc1c(c(on1)C)C[C@@H](C)C(=O)N(C)C	LJ6	(2r)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-n,n,2-trimethylpropanamide
+CC(C)n1ccc(n1)C(=O)NCc2ccc(cc2)F	LJ7	n-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1h-pyrazole-3-carboxamide
+C[C@@H](CCc1ccccc1)CCP(=O)(C[C@@H](CCC(=O)N)C(=O)O)O	LJ8	(2~{s})-5-azanyl-2-[[[(3~{s})-3-methyl-5-phenyl-pentyl]-oxidanyl-phosphoryl]methyl]-5-oxidanylidene-pentanoic acid
+CCc1c2ccc(cc2n(n1)c3ccccc3)N4C[C@H]5CNC[C@H]5C4	LJ9	3-ethyl-6-[(3ar,6as)-hexahydropyrrolo[3,4-c]pyrrol-2(1h)-yl]-1-phenyl-1h-indazole
+CC(=O)Nc1cccc(c1)NC(=O)N	LJA	n-[3-(carbamoylamino)phenyl]acetamide
+O[Mo]12[O+]3[Mo]4(O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O+]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O	LJB	mo(8)-o(26) cluster
+Cn1cc(cn1)C(=O)NCc2ccc(cc2)Cl	LJD	n-[(4-chlorophenyl)methyl]-1-methyl-1h-pyrazole-4-carboxamide
+Cc1cc(ccc1Oc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F	LJE	n-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide
+C=Nc1ncc(c(n1)c2cccnc2Oc3ccc(cc3)NC(=O)c4ccccc4Nc5ccccc5)F	LJF	n-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide
+CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(cc1)N)S(=O)(=O)c2ccc(cc2)N	LJG	n,n'-(iminodiethane-2,1-diyl)bis[4-amino-n-(2-methylpropyl)benzenesulfonamide]
+c1ccc(cc1)CN(CCNCCN(Cc2ccccc2)S(=O)(=O)c3ccc(cc3)N)S(=O)(=O)c4ccc(cc4)N	LJH	n,n'-(iminodiethane-2,1-diyl)bis(4-amino-n-benzylbenzenesulfonamide)
+Cc1nnc(o1)NC2CCCCCC2	LJJ	n-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine
+CCC(C)(C)NC(=O)c1cc(n[nH]1)C	LJK	3-methyl-n-(2-methylbutan-2-yl)-1h-pyrazole-5-carboxamide
+CCc1cnc(s1)C(=O)NCc2ccc(cc2)F	LJM	5-ethyl-n-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide
+CC(=O)NCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	LJN	[(2~{r},3~{s},4~{r},5~{r})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC1(Cc2c(c(sc2C(O1)(C)C)NC(=O)c3cc[nH]n3)C(=O)N)C	LJP	n-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5h-thieno[2,3-c]pyran-2-yl)-1h-pyrazole-3-carboxamide
+CNS(=O)(=O)CC1CCCCC1	LJR	1-cyclohexyl-n-methylmethanesulfonamide
+CC1=C(/C(=C\N=C(/C=C\CP(=O)(O)O)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	LJS	(2e,3z)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid
+COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4)CCO)Cl	LJT	2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
+Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C#N	LJV	6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile
+[H]/N=C(\c1cc2c(ccc(c2s1)OC(C)C)NC)/N	LJW	4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
+COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl	LJY	4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile
+c1cc(c(cc1)Cl)NC(=O)CCC(=O)/N=N/C=C2C=CC(=C/N=N/C(=O)CCC(=O)Nc3c(cccc3)Cl)C=C2	LJZ	4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(e)methylylidene(e)diazene-2,1-diyl]}bis[n-(2-chlorophenyl)-4-oxobutanamide]
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccc(cc2)c3cccnc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC	LK0	methyl n-[(2s)-1-[[(2s,3s,5s)-5-[[(2s)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O	LK1	n-[(6-butoxynaphthalen-2-yl)sulfonyl]-l-glutamic acid
+CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O	LK2	n-[(6-butoxynaphthalen-2-yl)sulfonyl]-d-glutamic acid
+CCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O	LK3	n-{[6-(pentyloxy)naphthalen-2-yl]sulfonyl}-d-glutamic acid
+c1cc(ccc1COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)C#N	LK4	n-({6-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid
+CCCCO[C@@H]1CCC[C@@H]2C1=C(N[C@@H]2[C@@H](CC)C=O)C(=O)O	LK5	(1s,4r,7ar)-4-butoxy-1-[(1r)-1-formylpropyl]-2,4,5,6,7,7a-hexahydro-1h-isoindole-3-carboxylic acid
+C[C@]1(CCS(=O)(=O)C1)NC(=O)C2CC2	LK6	n-[(3r)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide
+CC=C(C=O)[C@H]1[C@H]2CCC[C@@H](C2=C(N1)C(=O)O)OC	LK7	(1r,4s,7as)-1-(1-formylprop-1-en-1-yl)-4-methoxy-2,4,5,6,7,7a-hexahydro-1h-isoindole-3-carboxylic acid
+Cc1cc(c2cccc(c2n1)OCc3c(ccc(c3Cl)C(=O)N4CCC[C@H]4C(=O)NC)Cl)C(F)(F)F	LK8	(2~{s})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{n}-methyl-pyrrolidine-2-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)N)O)O)O)O	LKA	5-thio-alpha-d-mannopyranosylamine
+c1cc(cnc1)C(=O)Nc2c[nH]c3c2cc(cn3)c4ccc(cc4)C#N	LKB	~{n}-[5-(4-cyanophenyl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
+CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)O	LKC	4-amino-1-[(1s,3r,4r,7s)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]hept-3-yl]-5-methylpyrimidin-2(1h)-one
+CNC1CCC(CC1)N(Cc2cc(ccc2OC)c3ccncc3)C(=O)c4c(c5c(ccc(c5s4)F)F)Cl	LKD	3-chloro-4,7-difluoro-n-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-n-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)CN)CC(=O)O)N=[N+]=[N-]	LKE	2-[(4~{z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)C[C@H](C)OC	LKF	4-[3-[1-[(2s)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine
+c1ccc(cc1)c2ccc3nnc(n3n2)Cc4ccc(cc4)O	LKG	4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
+c1cc(ccc1/C=N/N2C(=NNC2=S)c3ccc(cc3)Cl)C(=O)O	LKH	4-[(~{e})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{h}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
+c1ccc(cc1)c2cccc(c2)CNC(=O)c3cc(cc(n3)C(=O)N4CCC[C@@H]4CN5CCCC5)c6cc(nc(c6)C(=O)N7CCC[C@@H]7Cn8cccc8)C(=O)N[C@H](C9CCCCC9)C(=O)O	LKJ	(2r)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2r)-2-(1h-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid
+CCC(CC)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Br)S(=O)(=O)O	LKK	3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid
+CN(CCO)c1c(cc(cn1)Cl)F	LKL	2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol
+c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O	LKM	n-({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid
+c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@H](C4CCC(CC4)O)O	LKP	trans-4-{(1r)-2-[(5s)-6-fluoro-5h-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol
+Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)c4cccnc4C)Nc5cn(nc5OC)C	LKQ	~{n}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{h}-indol-7-yl]-2-methyl-pyridine-3-carboxamide
+[H]/N=C(/Cc1ccccc1)\N[C@@H]2[C@H]([C@H]([C@@H]([C@H](S2)CO)O)O)O	LKS	n-[(1z)-2-phenylethanimidoyl]-5-thio-alpha-d-mannopyranosylamine
+c1cc(c(c(c1)Cl)C#N)N2CC[C@@H](C2)[C@H](CC#N)n3cc(cn3)c4c5cc[nH]c5ncn4	LKT	2-chloranyl-6-[(3~{s})-3-[(1~{s})-2-cyano-1-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile
+Cc1ccc(cc1O)NC(=O)c2cccc(c2)F	LKU	3-fluoro-n-(3-hydroxy-4-methylphenyl)benzamide
+CCc1ccc(cc1)c2c3c(cc(nc3n[nH]2)c4ccc(cc4)C(=O)O)C(=O)O	LKW	6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+Cc1c(cc(cc1NC(=O)c2cccc(c2)C#N)F)CN3CCN([C@H](C3)C)C(=O)C4CCCC4	LKY	3-cyano-n-(3-{[(3s)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide
+CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O	LKZ	3,5,7,9,11-pentakis(oxidanylidene)dodecanal
+c1ccc(c(c1)OC(F)F)S(=O)(=O)N	LL0	2-(difluoromethoxy)benzene-1-sulfonamide
+c1ccc2c(c1)c(n[nH]2)c3ccncc3	LL1	3-pyridin-4-yl-1h-indazole
+c1ccc(cc1)Cc2cnc(s2)N	LL2	5-benzyl-1,3-thiazol-2-amine
+c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4	LL3	2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone
+CC(C)CCC(=O)N1CCC(CC1)c2nc(no2)c3cccs3	LL4	4-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one
+CC(C)[C@@H](C(=O)N1CCC(CC1)c2nc(no2)c3cccs3)N	LL5	(2s)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one
+COc1cc(cc(c1OC)OC)NC(=O)CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3	LL7	(2~{s})-~{n}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(phenylmethyl)sulfonyl-piperidine-2-carboxamide
+CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC	LL8	1-(6-methoxynaphthalen-2-yl)butane-1,3-dione
+COc1ccc(cc1Cl)CNCCS(=O)(=O)O	LL9	2-[(3-chloro-4-methoxybenzyl)amino]ethanesulfonic acid
+c1ccc(cc1)C[C@@H](C(=O)O)O	LLA	l-2-hydroxy-3-phenyl-propionic acid
+CC1CCN(CC1)CCOc2ccc(cc2)C(=O)c3c4ccc(cc4sc3c5ccc(cc5)O)O	LLB	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone
+c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCC5)O	LLC	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
+c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCNC(=O)c3cccnc3	LLD	2-(pyridin-3-ylcarbonylamino)ethyl (2~{s})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate
+CC(=O)C/C(=C/C(=C/C(=C/C(=O)C[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)(O)O)O)/O)/O)/O	LLE	(2~{r})-3,3-dimethyl-2-oxidanyl-~{n}-[3-oxidanylidene-3-[2-[(1~{r},4~{z},6~{z},8~{z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C=NCC(F)F)O	LLF	(4-{(e)-[(2,2-difluoroethyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+c1ccc2c(c1)cccc2CC(=O)OCCN	LLG	2-aminoethyl naphthalen-1-ylacetate
+[C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O	LLH	(2r,3s,4r)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid
+COc1ccc(cc1OCCN2CCNC2=O)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5	LLI	(4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-methoxy-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
+c1cc2cc3c1ccc(c3)C[NH2+]CCOCC[NH2+]Cc4ccc5ccc(cc5c4)C[NH2+]CCOCC[NH2+]C2	LLJ	6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene
+C/C=C/C(=O)c1ccc2cc(ccc2c1)OC	LLK	(2e)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O	LLL	(2r,3r,4r,5r)-2-((1s,2s,3r,4s,6r)-4,6-diamino-3-((2r,3r,6s)-3-amino-6-(aminomethyl)-tetrahydro-2h-pyran-2-yloxy)-2-hydr oxycyclohexyloxy)-5-methyl-4-(methylamino)-tetrahydro-2h-pyran-3,5-diol
+C[C@@H]1C[C@@H]2CC=C[C@H](O2)C/C=C\C(=O)O[C@@H](C[C@H]3[C@@H](O3)[C@H](CC(=C)C1)O)[C@H](/C=C/[C@@H]4CC(=CCO4)C)O	LLM	laulimalide
+c1cc(c(cc1C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4)OCCN5CCNC5=O)OCCO	LLN	(4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-(2-hydroxyethyloxy)-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
+C[C@@H](CC(C)(C)O)NCCCC[C@@H](C(=O)O)N	LLO	n~6~-[(1s)-3-hydroxy-1,3-dimethylbutyl]-l-lysine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCCC(C(=O)O)N)O	LLP	(2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
+C([C@@H](CS(=O)(=O)O)O)O	LLQ	(2~{s})-2,3-bis(oxidanyl)propane-1-sulfonic acid
+Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O)[C@@H]4c5ccccc5C(=O)O4	LLS	(3~{s})-3-[1-[4,5-bis(chloranyl)-1~{h}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{h}-2-benzofuran-1-one
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O	LLT	l-deoxythymidine
+C[C@@H](C(=O)O)Oc1ccccc1F	LLU	(2s)-2-(2-fluorophenoxy)propanoic acid
+c1ccc(cc1)c2ccc(c(c2)NC(=O)c3ccccc3)N	LLX	n-(4-aminobiphenyl-3-yl)benzamide
+C(CCNC(C(=O)O)C(=O)O)C[C@@H](C(=O)O)N	LLY	nz-(dicarboxymethyl)lysine
+C[C@@H](CC(=O)c1ccc2cc(ccc2c1)OC)NCCCC[C@@H](C(=O)O)N	LLZ	n~6~-[(1s)-3-(6-methoxynaphthalen-2-yl)-1-methyl-3-oxopropyl]-l-lysine
+CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](N/C(=N\O)/[C@@H]([C@H]3O)O)CO)CO)CO	LM2	4'-o-methyl-maltosyl-alpha (1,4)-(z, 3s,4s,5r,6r)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one
+CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4	LM3	n,n-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine
+CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccncc4	LM4	n,n-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine
+C[C@H]1[C@H]([C@H]([C@@H](N1)C(=O)NCc2ccccc2)O)O	LM5	(3s,4r,5s)-n-benzyl-3,4-dihydroxy-5-methyl-d-prolinamide
+CCn1c(ccn1)CNC	LM6	1-(1-ethyl-1h-pyrazol-5-yl)-n-methylmethanamine
+c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O	LM7	1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1h,3h)-dione
+CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)O	LM8	(5z,8z,11z,13s,14z)-13-methylicosa-5,8,11,14-tetraenoic acid
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]3C[C@@]([C@@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)[C@H](C)[C@@H](C)O)C)OC(=O)C)C)(C)O)C)C)OC	LMA	lankamycin
+CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@@H]([C@@H](C)CCC(=O)O)O	LMB	leptomycin b, bound form
+C/C(=C\C=O)/C=C/C=C/1\C(c2ccccc2N1C)(C)C	LMC	(2e,4e,6e)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)hexa-2,4-dienal
+CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LMD	tetradecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+C[C@H](CC(=O)O)[C@@H](C(=O)O)N	LME	(2s,3r)-2-azanyl-3-methyl-pentanedioic acid
+CNC(=S)NCCCC[C@@H](C(=O)O)N	LMF	nz(n-methyl thioformamide) lysine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC	LMG	1,2-distearoyl-monogalactosyl-diglyceride
+C[C@@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	LMH	glucosyl-dolichol phosphate
+CC1(c2c(c3cc(c(cc3[nH]2)Br)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	LMJ	(5as,12as,13as)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7 ,6-b]carbazol-14-one
+CCCCCCCCCCCCCCCCC[C@H](O)OC[C@H](COCC[C@H](C(=O)O)[N+](C)(C)C)O[C@@H](CCCCCCCCCCCCCCCCC)O	LMK	trimethyl-[(2~{r})-1-oxidanyl-1-oxidanylidene-4-[(2~{s})-2-[(1~{s})-1-oxidanyloctadecoxy]-3-[(1~{r})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium
+CC(C)CC(C(=O)O)C(=O)O	LML	isobutyl malonic acid
+Cc1csc2c1nc(nc2Nc3cn(cn3)C)N[C@@H](C)c4ncc(cn4)F	LMM	n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-n4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
+CCCCCCCCCCC(CCCCCCCCCC)(CO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O)O)CO[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O	LMN	lauryl maltose neopentyl glycol
+CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O	LMO	dodecyl 6-o-alpha-d-galactopyranosyl-beta-d-glucopyranoside
+C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C	LMP	(2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+C[C@@H](CC(=O)N)[C@@H](C(=O)O)N	LMQ	(3s)-3-methyl-l-glutamine
+C([C@@H](C(=O)O)O)C(=O)O	LMR	(2s)-2-hydroxybutanedioic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N	LMS	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl sulfamate
+CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LMT	dodecyl-beta-d-maltoside
+CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LMU	dodecyl-alpha-d-maltoside
+CC(C)CS(=O)(=O)NC(=O)c1ccc2c(c1)N(C[C@@H](O2)c3ccc(cc3Cl)Cl)CC4CCC4	LMV	(2~{s})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{n}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
+CCN(CCO)c1ccc(cc1)N	LMW	2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol
+Cc1c(ccc2c1cc(n2CC34CC(C3)(C4)NC=O)C#N)CN5CCC(CC5)Nc6c7cc(sc7nc(n6)NC)CC(F)(F)F	LMY	~{n}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide
+C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O	LMZ	5-nitroso-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione
+CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(=O)C	LN0	methyl 6,8-dideoxy-6-{[(4r)-1-methyl-4-propyl-l-prolyl]amino}-1-thio-d-glycero-alpha-d-galacto-octopyranosid-7-ulose
+C[C@](COC(=O)Cc1ccc(c(c1)O)O)([C@H](C(=O)O)Nc2c(cc3n2cccc3)C=O)[S@@](=O)O	LN1	(3r)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-n-(2-formylindolizin-3-yl)-3-sulfino-d-valine
+CN(c1ccc(cc1)NC(=O)Nc2cc(ccc2F)C(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N	LN4	1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea
+[H]/N=C(/CC)\NCCC[C@@H](C(=O)O)N	LN5	n5-(1-iminopropyl)-l-ornithine
+[H]/N=C(\CCCC)/NCCC[C@@H](C(=O)O)N	LN6	n~5~-[(1e)-pentanimidoyl]-l-ornithine
+CCCC[C@@H](N)NCCC[C@@H](C(=O)O)N	LN7	n~5~-[(1s)-1-aminopentyl]-l-ornithine
+C1CC2CCC1[NH2+][Pt]([NH2+]2)(Cl)Cl	LN8	kiteplatin
+CCCCC\C=C/C/C(=C\CCCCCCCC(=O)O)/[N+](=O)[O-]	LNA	(9e,12z)-10-nitrooctadeca-9,12-dienoic acid
+CCCCC\C=C(/C\C=C/CCCCCCCC(=O)O)\[N+](=O)[O-]	LNB	(9z,12e)-12-nitrooctadeca-9,12-dienoic acid
+c1c(c[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)CC[C@@H](C(=O)O)O	LNC	(3s)-5-(3-carboxy-3-hydroxypropyl) nicotinamide-adenine-dinucleotide
+c1c[n+](ccc1C(=O)N)CCCn2ccnc2/C=N/O	LND	4-carbamoyl-1-(3-{2-[(e)-(hydroxyimino)methyl]-1h-imidazol-1-yl}propyl)pyridin-1-ium
+CCNC(=O)[C@H](CC(C)C)N	LNE	n-ethyl-l-leucinamide
+CC(C)CCCCCCC/C=C\CC(=O)O	LNG	delta-3isotetradecenoic acid
+CC(=O)Nc1ccc2c(c1)c(cn2CCC(=O)O)c3cc(n4c(n3)c(cn4)C#N)NC5CC5	LNH	3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1h-indol-1-yl}propanoic acid
+COc1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N	LNJ	4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
+CCCCC	LNK	pentane
+CCC=CCC=CC\C=C/CCCCCCCC(=O)O	LNL	alpha-linolenic acid
+CC(C)C[C@@H](C(=O)NC)N	LNM	n-methyl-l-leucinamide
+c1ccc(cc1)c2cc(ccc2O)CC(=O)O	LNN	(6-hydroxybiphenyl-3-yl)acetic acid
+CC(C)C[C@@H](C(=O)NO)N	LNO	l-leucyl-hydroxylamine
+C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@H]3C2=CC[C@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C=C5CC5	LNP	(3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol
+CCCOCCOCCOCCCNC1=C(C(=O)C1=O)N	LNQ	3-amino-4-{3-[2-(2-propoxy-ethoxy)-ethoxy]-propylamino}-cyclobut-3-ene-1,2-dione
+c1cc(c(cc1[C@H](CN)O)O)O	LNR	l-norepinephrine
+CNC(=O)c1cccc(n1)C(=O)O	LNS	6-(methylcarbamoyl)pyridine-2-carboxylic acid
+C[C@H]([C@@H](C(=O)O)NC([C@H](CC(C)C)N)(O)O)O	LNT	n-[(2s)-2-amino-1,1-dihydroxy-4-methylpentyl]-l-threonine
+[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O	LNV	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-methyl-d-glycero-d-galacto-non-2-enonic acid
+c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O	LNW	2,2'-biphenyl-3,5-diyldiacetic acid
+c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O	LNX	2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid
+c1cc(sc1C#CCO)c2cc(cc(c2)CC(=O)O)CC(=O)O	LNY	2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid
+Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#CCO)OC	LNZ	5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-n-(methylsulfonyl)benzamide
+c1cc(ccc1CN)NC(=O)C(=O)O	LO1	[[4-(aminomethyl)phenyl]amino]oxo-acetic acid,
+CCCC[N@](Cc1cc(c(c(c1)Cl)OC)OC)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O	LO2	2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
+C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@]3(CO3)[C@H](C[C@@H]4CC=C[C@H](O4)C[C@H]([C@@H](/C=C(/C=C/C(=O)O2)\C)O)OC)OC)OC)OC)C)O)OC	LO3	(1s,3s,4s,5s,7r,8s,9r,12e,14e,16r,17r,19r)-16-hydroxy-9-{(1s,2s,3s)-2-hydroxy-5-[(2s,4r,6s)-4-methoxy-6-methyltetrahydro-2h-pyran-2-yl]-1,3-dimethylpentyl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11h-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one
+CC1(CCCCC1)COc2ccc(cc2)CC3=SC(=O)NC3=O	LO4	ciglitazone
+c1cc2c(cc1CNC[C@H]3CCCO3)OCO2	LO5	1-(1,3-benzodioxol-5-yl)-~{n}-[[(2~{r})-oxolan-2-yl]methyl]methanamine
+C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC(F)F	LO6	2-(difluoromethoxy)-1-[(2r,6s)-2,6-dimethylmorpholin-4-yl]ethan-1-one
+CCc1ccc(nc1)C(=O)COc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3	LO7	mitoglitazone
+C[C@]1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3	LO8	(2~{s})-2-methyl-4-(oxetan-3-yl)-~{n}-(phenylmethyl)piperazine-2-carboxamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C	LOA	(3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid
+C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O	LOB	lobeline
+CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	LOC	n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]ethanamide
+c1cc2c(cc1C(=O)O)N(C[C@@]3(CCc4c3ccc(c4)Cl)CO2)CC5CCC5	LOD	(3s)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2h-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid
+C1CCC2(CC1)OC[C@@H](O2)CN3CCCCC3	LOE	1-[[(3~{s})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine
+c1ccc(cc1)C[C@@H](C(=O)O)O	LOF	3-phenyl-lactic acid
+CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\O)CO)O)O	LOG	n-acetylglucosaminono-1,5-lactone (z)-oxime
+C(CN)[C@@H]([C@H]([C@@H](C(=O)O)N)O)O	LOH	3,4-dihydroxylysine
+Cc1csc(n1)NC(=O)c2cc(ccc2NC)Sc3nncn3C	LOI	2-(methylamino)-n-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]benzamide
+c1cc2c(cc1C(=O)O)N(C[C@@H](CO2)c3ccc(cc3Cl)Cl)CC4CCC4	LOJ	(3s)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid
+COC(=O)Nc1cccc(c1)NC(=O)OC	LOK	methyl ~{n}-[3-(methoxycarbonylamino)phenyl]carbamate
+CC(C)C[C@@H](C(O)O)N	LOL	(2s)-2-amino-4-methylpentane-1,1-diol
+c1cscn1	LOM	thiazole
+CN[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	LON	(7s)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5h-benzo[a]heptalen-9-one
+CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	LOP	(1r)-2-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(dodecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate
+Cc1ccc(cc1)N2C(=O)CCC2=O	LOQ	1-(4-methylphenyl)pyrrolidine-2,5-dione
+c1ccc(cc1)[C@H](C(=O)N[C@H](C=O)[C@H]2CCC(C(=N2)C(=O)O)Cl)N	LOR	loracabef (open form)
+c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=C(C=CC=C6)C7=CC=CC=[N]37	LOS	lambda-bis(2,2'-bipyridine)imidazole osmium (ii)
+c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O	LOT	6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide
+C1C[C@@]2([C@H]3[C@@H]([C@H]1O2)C(=O)N(C3=O)CC(=O)O)C[C@@H](C(=O)O)N	LOU	3-[(3ar,4s,7s,7as)-2-(carboxymethyl)-1,3-dioxooctahydro-4h-4,7-epoxyisoindol-4-yl]-l-alanine
+CC(C)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)O)O)N	LOV	5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoic acid
+C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)N	LOW	(5~{s},7~{r})-3-azanyladamantan-1-ol
+C1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O	LOX	(2z,3s,4s,5r)-2-hydroxyiminopiperidine-3,4,5-triol
+CC(C)(COP(=O)=O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H]4CCCN4)O	LOY	5'-deoxy-5'-[({(2r)-2-({2-[(n-{(2r)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2r)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine
+c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCN	LOZ	5-[[(1s,2r)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
+B(CNC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)(O)OP(=O)(O)O	LP0	(7z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid
+CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O	LP1	4-[2-(2-acetylamino-3-naphtalen-1-yl-propionylamino)-4-methyl-pentanoylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide
+CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O	LP2	n2-[[[3-naphtyl-n-methylcarbonyl-alaninyl-valinyl]-amino-[1-[2-methyl-propanyl]-2-hydroxy-propan-3-yl]-carbonyl]-3-methyl-alanyl]-3-naphtyl-alanyl-amine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O	LP3	(7r)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide
+CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	LP4	2-deoxy-3-o-[(3r)-3-hydroxytetradecanoyl]-2-{[(3r)-3-hydroxytetradecanoyl]amino}-4-o-phosphono-beta-d-glucopyranose
+CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	LP5	(r)-((2r,3s,4r,5r,6r)-3-hydroxy-2-(hydroxymethyl)-5-((r)-3-hydroxytetradecanamido)-6-(phosphonooxy)tetrahydro-2h-pyran-4-yl) 3-hydroxytetradecanoate
+C1CCN(CC1)CCCC[C@@H](C(=O)O)N	LP6	6-piperidin-1-yl-l-norleucine
+CCOC(=O)[C@H]1C(c2cccnc2N(C1=O)O)O	LP7	ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
+c1cc2c(nc1)N(C(=O)C(=C2O)C3CCCC3)O	LP8	3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1h)-one
+CCN(CC)c1ccc(cc1)Oc2cc3c(nc2)N(C(=O)C(=C3O)C(=O)OCC)O	LP9	3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium
+C1CSS[C@@H]1CCCCC(=O)O	LPA	lipoic acid
+C1CSS[C@H]1CCCCC(=O)O	LPB	5-[(3s)-1,2-dithiolan-3-yl]pentanoic acid
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O	LPC	[1-myristoyl-glycerol-3-yl]phosphonylcholine
+C1C[C@H](NC1)C(=O)N	LPD	l-prolinamide
+CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O	LPE	1-o-octadecyl-sn-glycero-3-phosphocholine
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F)NC(=O)C	LPF	1,1,1-trifluoro-3-((n-acetyl)-l-leucylamido)-4-phenyl-butan-2-one(n-acetyl-l-leucyl-l-phenylalanyl trifluoromethyl ketone)
+C#C[C@@H](C(=O)O)N	LPG	(2s)-2-aminobut-3-ynoic acid
+C#CC[C@@H](C(=O)O)N	LPH	l-propargylglycine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCSC)C(=O)O)O	LPI	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-methionine
+S1[Fe][S]2[Fe]1S[Fe]2[S]3[Fe]4S[Fe]5[S]4[Fe]3S5	LPJ	fe(6)-s(7) cluster
+C([C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O	LPK	l-psicose
+CC(C)C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O	LPL	leu-hydroxyethylene-leu
+C(CCC(=O)N)C[C@H](CCS)S	LPM	6,8-dimercapto-octanoic acid amide
+Cc1cc(c(c(c1)Cl)OCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCCOC)C5CC5)Cl	LPN	(3r,4s)-n-[2-chloro-5-(3-methoxypropyl)benzyl]-n-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide
+Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@]3(CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl	LPO	(3s,4r)-n-[2-chloro-5-(2-methoxyethyl)benzyl]-n-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC	LPP	2-(hexadecanoyloxy)-1-[(phosphonooxy)methyl]ethyl hexadecanoate
+Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6)Cl	LPQ	(3r,4s)-n-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-n-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide
+c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O	LPR	[n2-[(s)-1-carboxy-3-phenylpropyl]-l-lysyl-l-proline
+CCCCCCCCCCCCCCC(O)OC[C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O	LPS	o-{hydroxy[((2r)-2-hydroxy-3-{[(1s)-1-hydroxypentadecyl]oxy}propyl)oxy]phosphoryl}-l-serine
+C1CCC(CC1)[NH2][Pt+2][NH3]	LPT	cis-(ammine)(cyclohexylamine)platinum(ii) complex
+CS(=O)(=O)N1CCC(CC1)O	LPU	1-(methanesulfonyl)piperidin-4-ol
+COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)NO	LPW	2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{n}-oxidanyl-ethanamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCN)O	LPX	(2s)-3-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate
+CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)O	LPY	(2r)-2-hydroxy-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl tridecanoate
+Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C	LPZ	2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
+c1cc(ccc1C(=O)N)C(=O)O	LQ2	4-aminocarbonylbenzoic acid
+C1=CC(=O)N=CC1OC(F)F	LQ3	(5s)-5-(difluoromethoxy)pyridin-2(5h)-one
+COc1cc(cc(c1OC)OC)/C=C/C(=O)N2CCC=CC2=O	LQ4	piperlongumine
+CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3ccc(cc3)Oc4ccnc(n4)N	LQ5	1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
+Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN)Cc3cccs3	LQ7	n-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-n-[(thiophen-2-yl)methyl]benzamide
+c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5CCCC[C@@H]5C(=O)O)OCCO	LQ8	(1~{s},2~{r})-2-[[(1~{s})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid
+[H]/N=C\1/C(=C(C=C2N1CCc3c2cc4c(c3)OCO4)c5ccc(c(c5)OC)OC(C)C)C#N	LQA	4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile
+Cc1cc(n(n1)c2cc(ccc2[N+](=O)[O-])N3CCc4ccccc4C3)C	LQB	2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1h-isoquinoline
+Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4ccccc4OC	LQD	(3r,4s)-1-[(2-methoxyphenyl)methyl]-n,n-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
+CN1C[C@H](C[C@@H]2[C@@H]1Cc3cccc(c3C2)OC)Cc4cccc(c4)OC	LQE	(3r,4as,10as)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2h-benzo[g]quinoline
+c1ccc(cc1)CN2CCc3c(c4nncn4c(c3C#N)NCc5ccco5)C2	LQF	5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7h-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
+c1cc(oc1)CNc2c(ccc3n2cnn3)C#N	LQG	5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
+c1ccc2c(c1)C=C(N3C2=NCC3)c4ccccc4F	LQH	5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
+CC1CCN(CC1)C(=O)c2cc3ccccc3o2	LQI	(1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H]([C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N	LQJ	3'-o-[(r)-{[(2s,3as,4s,6s,6as)-6-(6-amino-9h-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2h-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine
+c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5CC[C@@H]5C(=O)N)OCCO	LQK	(1~{s},2~{r})-2-[[(1~{s})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide
+c1ccc(c(c1)C(=O)Nc2cccc(c2)c3ccc(cc3)C(F)(F)F)[SeH]	LQN	2-selanyl-~{n}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide
+C1C[C@@H]2CN(C[C@@H]2C1)C(=O)COC(F)F	LQP	2-(difluoromethoxy)-1-[(3ar,6as)-hexahydrocyclopenta[c]pyrrol-2(1h)-yl]ethan-1-one
+CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C	LQQ	6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7(8h)-one
+CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N	LQT	2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide
+Cc1ccc(nc1)NC(=O)[C@@H]2CCCO2	LQV	(2s)-n-(5-methylpyridin-2-yl)oxolane-2-carboxamide
+c1ccc(c(c1)C(=O)NCc2ccc(cc2)Cl)[SeH]	LQW	~{n}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide
+COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)N)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5	LQY	n-(2-amino-2-oxoethyl)-5'-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide
+CCN(CC)CC(=O)Nc1c(cccc1C)C	LQZ	2-(diethylamino)-n-(2,6-dimethylphenyl)ethanamide
+c1cc(ccc1CN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)Br	LR1	(1r,2s,3s,4r,5r)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol
+c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH]	LR2	~{n}-pyridin-2-yl-2-selanyl-benzamide
+c1cc(ccc1C(=O)N)C(F)(F)F	LR5	4-(trifluoromethyl)benzamide
+C#CCCCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	LR7	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r},6~{r})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
+c1cc(ncc1C(=O)N)N2CCOCC2	LR8	6-morpholin-4-ylpyridine-3-carboxamide
+CCN(C)C(=O)c1cccc(c1)N	LR9	3-amino-n-ethyl-n-methylbenzamide
+CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3	LRB	lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c9-adamantane ruthenium (ii)
+c1ccc(c(c1)/C(=C/2\C=CC(=O)C(=C2)Cl)/c3ccc(c(c3)Cl)O)S(=O)(=O)O	LRD	2-[(e)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
+Cc1c(c(sn1)N(C)CC(=O)N)C#N	LRF	n~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-n~2~-methylglycinamide
+c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c3ccccc3	LRG	(2s)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
+C[C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O	LRH	6-deoxy-beta-l-fructofuranose
+c1cc(sc1)CN(c2cc(nc(n2)N)Cl)C3CC3	LRI	6-chloro-n~4~-cyclopropyl-n~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine
+C(CCN[C@H](CO)C(=O)[C@@H](COP(=O)(O)O)O)C[C@@H](C(=O)O)N	LRK	(2s)-2-azanyl-6-[[(2r,4r)-1,4-bis(oxidanyl)-3-oxidanylidene-5-phosphonooxy-pentan-2-yl]amino]hexanoic acid
+C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N(C)C)OC)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)N(C1=O)C)OC)O)O)O	LRM	2-amino-9-[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(s)-({(2r,3r,4r,5r)-3-{[(r)-{[(2r,3r,4r,5r)-3-{[(s)-{[(2r,3r,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-3-{[(s)-hydroxy{[(2r,3r,4r,5r)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9h-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9h-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3h-purin-7-ium
+Cc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O	LRO	5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N(C)C)OC)O)O)O	LRP	2-amino-9-[(2r,3r,4s,5r)-5-({[(r)-{[(s)-{[(r)-({(2r,3r,4r,5r)-5-[6-(dimethylamino)-9h-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1h-purin-7-ium
+CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F	LRQ	bridged tetracyclic indole
+c1ccc(cc1)CCCC(=O)N2CCOCC2	LRR	1-(morpholin-4-yl)-4-phenylbutan-1-one
+Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC(=O)c5cnn6c5nccc6	LRS	n-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1h-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3	LRT	5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine
+c1cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=[N]2C=CC=C5)[N]6=CC=CC=C6C7=CC=CC=[N]37	LRU	lambda-bis(2,2'-bipyridine)imidazole ruthenium (ii)
+C[C@@H]1C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C@@]1(C3)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@H](C([C@@H](C(O6)CO)O)O)O)OC7[C@H]([C@H]([C@H]([C@@H](O7)CO)O)O)O)(CCC[C@@]4(C)C(=O)O)C	LRV	(8alpha,9beta,10alpha,13alpha)-13-{[alpha-l-allopyranosyl-(1->2)-[beta-d-mannopyranosyl-(1->3)]-beta-d-allopyranosyl]oxy}kauran-18-oic acid
+c1cc(cc(c1)C(F)(F)F)/C=C/C(=O)O	LRW	(~{e})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
+CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	LRY	n-acetylmannosamine-6-phosphate
+[H]/N=C(\NCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	LRZ	methyl 6-[3-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+CNS(=O)(=O)c1ccc(cc1)N\C=C/2\c3ccccc3NC2=O	LS1	n-methyl-4-{[(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}benzenesulfonamide
+CNS(=O)(=O)Cc1ccc(cc1)NN=C2c3c(ccc4c3scn4)NC2=O	LS2	n-methyl-{4-[2-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide
+c1cc2c(cc1c3cnco3)C(=CNc4ccc5c(c4)CS(=O)(=O)C5)C(=O)N2	LS3	3-{[(2,2-dioxido-1,3-dihydro-2-benzothien-5-yl)amino]methylene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2h-indol-2-one
+c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)/C(=O)N2	LS4	4-{[(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}-n-(1,3-thiazol-2-yl)benzenesulfonamide
+c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)NC(=N)N)/C(=O)N2	LS5	3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1h-indole
+c1ccc(cc1)CCN2CCC(CC2)/C=C/C(=O)NO	LS6	(2e)-n-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
+CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)C	LS7	n-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC1=Cc2cc(ccc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3OC)C#N	LS8	4-cyano-~{n}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide
+c1ccc2c(c1)C(=O)NS2(=O)=O	LSA	1,2-benzisothiazol-3(2h)-one 1,1-dioxide
+CC[C@H]([C@H]([C@@H](C)CC1([C@H](O1)CC[C@@]2([C@H](O2)C)CC)CC)O)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C	LSB	(4r,5s)-3-[(2r,3s,4s)-2-ethyl-5-[(3r)-2-ethyl-3-[2-[(2r,3r)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O	LSC	(4r,7r,18e)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide
+CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCc3ccc(c(c3C(=O)O)O)C)O	LSD	lasalocid a
+C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O	LSE	2-(trimethylsilyl)ethyl 4-o-beta-d-galactopyranosyl-6-se-methyl-6-seleno-beta-d-glucopyranoside
+CC(=O)c1cc(c(n1C)Nc2ccc(cc2F)I)C(=O)NOCCO	LSG	5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-1-methyl-1h-pyrrole-3-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=O)(=O)N3)COP(=O)(O)O)O	LSH	[(1r,5r,7r,8s)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate
+CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC(=O)C34C5[Ru]3678923(C5C6C74)C4C8C9C2C34)SC1)C(=O)O	LSI	ruthenocenyl-7-aminodesacetoxycephalosporanic acid
+CC/C(=C/1\c2ccccc2OCc3c1c(ccc3)OC)/c4cccc(c4)NS(=O)(=O)C	LSJ	n-{3-[(1z)-1-(10-methoxydibenzo[b,e]oxepin-11(6h)-ylidene)propyl]phenyl}methanesulfonamide
+[H]/N=C(/NCCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)\NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	LSK	methyl 6-[5-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+c1cc(ccc1CNCc2ccsc2)C(=O)NO	LSL	n-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
+CCCCCCCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LSM	dodecyl 4-o-alpha-d-glucopyranosyl-1-seleno-beta-d-glucopyranoside
+CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl	LSN	[2-butyl-5-chloranyl-3-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
+C(CC/N=C(\CCC(=O)O)/CS(=O)(=O)CC(=O)CCC(=O)O)C[C@@H](C(=O)O)N	LSO	(z)-n~6~-(3-carboxy-1-{[(4-carboxy-2-oxobutyl)sulfonyl]methyl}propylidene)-l-lysine
+CC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[NH3+])O	LSP	(7s)-4,7-dihydroxy-10-oxo-3,5,9-trioxa-4-phosphaundecan-1-aminium 4-oxide
+c1cc(cc(c1)Cl)CCC(=O)O	LSQ	3-(3-chlorophenyl)propanoic acid
+C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C	LSR	1,3,3-trimethyl-2-[(1e,3e)-3-methylpenta-1,3-dien-1-yl]cyclohexene
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	LSS	5'-o-(l-leucylsulfamoyl)adenosine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=O)(=O)N3C)COP(=O)(O)O)O	LST	[(1r,5r,7r,8s)-2-methyl-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N	LSU	5'-o-(n-(l-leucyl)-sulfamoyl)uridine
+C[C@@]1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)CO	LSV	n-[(2r)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O	LSW	n~2~-[(1s)-1-carboxy-3-phenylpropyl]-l-lysyl-l-tryptophan
+CN(C(=O)CC[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O	LSX	[(1s)-4-[hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid
+CN(C)C(=O)NNC(=O)N(C)C	LSY	n~1~,n~1~,n~2~,n~2~-tetramethylhydrazine-1,2-dicarboxamide
+CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccc(o3)CN4CCN(CC4)C)c5ccn(n5)C)C(=O)C	LSZ	~{n}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
+c1ccc(cc1)CCCCl	LT1	(3-chloropropyl)benzene
+C1[C@H](C2=CC(=O)C(=O)C=C2N1)O	LT2	(3s)-3-hydroxy-2,3-dihydro-1h-indole-5,6-dione
+c1cc2c(c(c1)C(F)(F)F)[C@H]3CC[C@@H]2[C@@H]3N	LT3	(1s,4r,9s)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine
+c1cc(c(cc1[C@H](CN)O)O)O	LT4	norepinephrine
+c1cc(cc(c1)C(F)(F)F)[C@H](CN)O	LT5	(1r)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
+CCCCN(C)C(=O)c1c(cccc1F)OCC(=O)N[C@@H](Cc2ccccc2)CO	LT6	2-(2-{[(1s)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-n-butyl-6-fluoro-n-methylbenzamide
+Cc1ccc(cc1)c2nc(on2)CNC(C)C	LT7	~{n}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
+c1ccc(c(c1)C(=O)O)n2cccn2	LT8	2-pyrazol-1-ylbenzoic acid
+CCOC(=O)C[C@@H]([C@H](CCCCN)N)O	LTA	4,8-diamino-3-hydroxy-octanoic acid ethyl ester
+CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O	LTB	leukotriene b4
+CCCCCCCC=CCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)N)O)NC(=O)C)O)COC(=O)CCCCCC	LTC	(2s)-1-({3-o-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-d-galactopyranosyl]-alpha-d-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7z)-pentadec-7-enoate
+CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N	LTD	(5~{s},6~{r},7~{e},9~{e},11~{z},14~{z})-6-[(2~{r})-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
+[H]/N=C(\NCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)/NCCC[C@@H](C=O)N	LTE	1-[3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{s})-4-azanyl-5-oxidanylidene-pentyl]guanidine
+CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)NO	LTF	(4r)-2-(3,4-dimethoxy-5-propylphenyl)-n-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
+C([C@@H]([C@H]([C@H](C(=O)CO)O)O)O)O	LTG	l-tagatose
+C([C@@H]([C@H](C(=O)O)O)O)O	LTH	(2r,3s)-2,3,4-trihydroxybutanoic acid
+c1ccc2c(c1)CCCC[C@H]2SC3=C(/C(=N/C(=O)N)/SN3)C(=O)N	LTI	(5z)-5-(carbamoylimino)-3-[(5r)-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide
+C/C=C/C(=O)N[C@H]1CCCN(C1)c2c(cc(c3c2c(c([nH]3)C)C)C(=O)N)F	LTJ	4-[(3s)-3-{[(2e)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1h-indole-7-carboxamide
+Cc1c2cc(ccc2sc1S(=O)(=O)Nc3cccc(c3)CN)Cl	LTK	~{n}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide
+CCC(=O)CCC(C)(C)O	LTL	6-hydroxy-6-methyl-heptan-3-one
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)CO)O)O	LTM	n-acetyl gluconolactam
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N	LTN	l-tryptophanamide
+c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)/C=C/C(=O)NO	LTO	(2e)-n-hydroxy-3-{1-[2-(1h-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O	LTP	4-amino-1-{2-deoxy-5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-beta-l-erythro-pentofuranosyl}pyrimidin-2(1h)-one
+Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N3CSC[C@@H]3C(=O)NO)C#N	LTQ	(4s)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-n-hydroxy-1,3-thiazolidine-4-carboxamide
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N	LTR	l-tryptophan
+c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CN/C(=N\C#N)/Nc3ccncc3)OC(F)(F)F	LTS	2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine
+C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N	LTT	4-amino-1-[(2s,4s)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2(1h)-one
+CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)O	LTV	2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate
+CC(=O)c1ccc(c(c1)NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)OCCN5CC6(C5)COC6	LTW	~{n}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
+CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	LTX	(5~{s},6~{r},7~{e},9~{e},11~{z},14~{z})-6-[(2~{r})-2-[[(4~{s})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-( 2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
+c1cc2cc(c(cc2nc1)N3CCC(CC3)CN)NC(=O)c4cnn5c4nccc5	LTY	n-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC[C@@H]1CC[C@H](N1C(=O)C2=C(N3[C@@H]([C@](N=C3S2)(C)c4ccc(cc4)Cl)c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN([C@@H](C6)C)C(=O)C	LTZ	(5r,6s)-2-[((2s,5r)-2-{[(3r)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
+[Lu+3]	LU	lutetium (iii) ion
+CC(C)C[C@@H](C(=O)O)NS(=O)(=O)N	LU0	sulphamoil leucine
+Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O	LU1	4'-fluoro-4,5-dihydroxy-n-{(2e)-3-[(2s,4r,5r)-4-hydroxy-5-(6-methyl-9h-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide
+c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O	LU2	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4h-chromen-4-one
+Cc1cc2c(cccc2NC(=O)c3cc(cc(c3)NC(=O)c4ccco4)NC(=O)C)nn1	LU5	~{n}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(=O)N)NC(=O)Cc1ccc(cc1O)O)N	LU7	n~1~-{5-[(3-{[3-(l-arginylamino)propyl]amino}propyl)amino]pentyl}-n~2~-[(2,4-dihydroxyphenyl)acetyl]-l-aspartamide
+Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCN(CC4)C	LU8	4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
+CCC[C@H]1C(=C(CO1)CO)C(=O)O	LUB	4-(hydroxymethyl)-2-propylfuran-3-carboxylic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C(N3C2=O)C(=O)NC(=N4)N	LUD	n-{4-[(6ar)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9h)-yl]benzene-1-carbonyl}-l-glutamic acid
+Cc1nc(c2n1ccc(c2)Nc3nccc(n3)c4cc(n(n4)C)CN(C)C)c5nnc(o5)C	LUE	~{n}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine
+CC1=C(C(CCC1)(C)C)CC/C(=C/CC/C(=C/CCC2=CC(=O)O[C@@H]2O)/C)/C	LUF	(5s)-4-[(3e,7e)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5h)-one
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN	LUG	n-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\OC[C@H]2C(=O)N[C@H](C(=O)N2)CON)O	LUH	[4-[(~{z})-[(2~{s},5~{s})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
+CC(C)CN1C(=C(c2cc(ccc2C1=O)OCC(=O)N)c3ccccc3)CN	LUI	2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide
+CCC[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)N)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N)N)CO	LUJ	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-d-glucopyranoside
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\OC[C@@H]2C(=O)N[C@@H](C(=O)N2)CON)O	LUK	[4-[(~{z})-[(2~{r},5~{r})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
+Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3	LUM	lumichrome
+c1ccc2c(c1)[C@@]3(CC[N@](C3)[C@@H]4CCCNC4)CN2C(=O)c5cc6cc(ccc6[nH]5)F	LUN	(5-fluoro-1h-indol-2-yl)[(3r)-1'-[(3r)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2h)-yl]methanone
+Cc1ccccc1n2c3c(cn2)C(=O)NC(=N3)N[C@@H](C)C(=O)Nc4ccc(cc4)OC	LUO	n-(4-methoxyphenyl)-n~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl]-l-alaninamide
+c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)NCCCC(F)(F)F)C4CC4	LUP	5-cyclopropyl-n-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide
+C(CS(=O)(=O)O)NCC(=O)N	LUQ	n-(2-acetamido)-2-aminoethanesulfonic acid
+Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F	LUR	{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid
+CCC1CCC(CC1)N2CCOCC2	LUS	4-(4-ethylcyclohexyl)morpholine
+CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(=C[C@@H](CC2(C)C)O)C)\C)\C	LUT	(3r,3'r,6s)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol
+c1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccccc5	LUV	(3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4- d]imidazolidin-4-yl]-n-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide
+c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc(nc3O)n4cccn4	LUW	4-oxidanyl-~{n}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide
+CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2(C)C)O)C	LUX	(3r,3'r,6's,9r,9'r,13r,13's)-4',5'-didehydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-beta,beta-carotene-3,3'-diol
+c1ccc(cc1)CCNc2[nH]c3ccccc3n2	LUY	~{n}-(2-phenylethyl)-1~{h}-benzimidazol-2-amine
+c1cnc2c(n1)C(=O)NC(=O)N2	LUZ	pteridine-2,4(1h,3h)-dione
+c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)F	LV1	1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea
+CN(C)C1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	LV2	[(2~{r},3~{s},4~{r},5~{r})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc(c(c1)NC(=S)N)OC(F)(F)F	LV4	1-[2-(trifluoromethyloxy)phenyl]thiourea
+c1cc(c(cc1N)Cl)Cl	LV5	3,4-dichloroaniline
+CC(=O)Nc1ccccc1C(=O)NN	LV7	~{n}-[2-(aminocarbamoyl)phenyl]ethanamide
+CC(=O)NC[C@@H](C(=O)O)N	LV8	(2~{s})-3-acetamido-2-azanyl-propanoic acid
+CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C	LVA	(3r,5r)-7-((1r,2r,6s,8r,8as)-2,6-dimethyl-8-{[(2r)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoic acid
+Cc1ccc(cc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])O	LVB	3-deoxytolcapone
+c1ccc(cc1)CONC(=O)N	LVD	1-phenylmethoxyurea
+Cc1ccc(cc1)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-]	LVE	3-o-methyltolcapone
+C=C[C@@H](C(=O)O)N	LVG	l-vinylglycine
+C[C@@H]1Cc2c3ccccc3[nH]c2[C@@](N1CC(C)(C)F)(C)c4c(cc(cc4F)/C=C/C(=O)O)F	LVH	(~{e})-3-[3,5-bis(fluoranyl)-4-[(1~{r},3~{r})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{h}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid
+CC(C)(C)C(=O)NCc1ccc(c(c1Cl)Nc2nc3cc(c(cc3n2C)OCC(C)(C)O)C(=O)NCC(F)(F)F)Cl	LVJ	2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-n-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide
+C[C@H](C=O)[C@@H](C(=O)O)N	LVN	(3s)-4-oxo-l-valine
+[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C(=O)O	LVO	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-methyl-9-o-octanoyl-d-glycero-d-galacto-non-2-enonic acid
+c1ccc(c(c1)NNC(=O)c2ccno2)F	LVP	~{n}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide
+C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2c6c7cc(cc6Cc8cc(cc(c8[O+]3CC(=O)O)Cc9cc(cc(c9[O+]4C1)Cc1cc(cc(c1[O+]5CC(=O)O)C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	LVQ	octa-anionic calixarene
+CC(C)C[C@@H](C=CS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(c(c(c1)I)O)[N+](=O)[O-]	LVS	4-iodo-3-nitrophenyl acetyl-leucinyl-leucinyl-leucinyl-vinylsulfone
+c1c(cc2c(c1Cc3cc(cc(c3OCC(=O)O)Cc4cc(cc(c4OCC(=O)O)Cc5cc(cc(c5OCC(=O)O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OCC(=O)O)S(=O)(=O)O	LVT	octa-anionic calix[4]arene
+Cc1ccc(cc1)CN2CCS(=O)(=O)CC2	LVV	4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
+C=CCOC[C@H](C[SeH])O	LVW	(2~{r})-1-prop-2-enoxy-3-selanyl-propan-2-ol
+c1cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O	LVY	s-lenalidomide
+CC(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O	LVZ	propan-2-yl 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranoside
+c1cc(sc1)C=O	LW1	thiophene-2-carbaldehyde
+CC(=O)[C@H]([C@@H](c1cccs1)O)O	LW2	(3s,4s)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one
+CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	LW4	3-(1h-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1h-pyrrole-2,5-dione
+C[C@@H](c1ccccc1)Oc2cc(cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O	LW5	4-acetamido-3-fluoranyl-~{n}-(4-oxidanylcyclohexyl)-5-[(1~{s})-1-phenylethoxy]benzamide
+c1ccc(cc1)CCC2=NCCc3c2cccc3	LW7	1-(2-phenylethyl)-3,4-dihydroisoquinoline
+C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)O	LW8	trimethyl-[(2s)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
+CCCCC(CC)CC	LW9	3-ethylheptane
+c1cc(ccc1C(=O)N)NC(=O)[C@@H]2CCCO2	LWA	(2~{s})-~{n}-(4-aminocarbonylphenyl)oxolane-2-carboxamide
+Cc1c(c(on1)C)c2cc3c(cc2OC[C@H]4CCNC4)c5c(cn3)nc(n5[C@H](C)c6ccccc6)COC	LWB	4-[2-(methoxymethyl)-1-[(1~{r})-1-phenylethyl]-8-[[(3~{s})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
+c1ccc(cc1)C(=O)Nc2ccc3c(c2)cccn3	LWD	~{n}-quinolin-6-ylbenzamide
+c1cc(c2c(c1Cl)c3c(s2)C(=O)NC=N3)Cl	LWG	6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3h)-one
+c1ccc2c(c1)c(nc(n2)c3cc(ccc3O)c4ccn[nH]4)N[C@H]5CCNC5	LWH	4-(1h-pyrazol-5-yl)-2-{4-[(3s)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol
+c1ccc(c(c1)C[C@@H](C(=O)O)N)CN	LWI	2-(aminomethyl)-l-phenylalanine
+Cc1[nH]c2cc(ccc2n1)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N	LWJ	[5-amino-1-(2-methyl-1h-benzimidazol-6-yl)-1h-pyrazol-4-yl](1h-indol-2-yl)methanone
+C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC2=C(C(=O)NC(=N2)N)NC=O	LWM	[(1r,2s,4r)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate
+Cn1c2c(cn1)c(nc(n2)Nc3ccc(c(c3)F)F)NCC(=O)OC	LWN	methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate
+C[n+]1cc(cc2c1cccc2)NC(=O)c3cccc(n3)C(=O)Nc4cc5ccccc5[n+](c4)C	LWQ	~{n}2,~{n}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
+CC1(c2cc(cc(c2NC1=O)F)c3cccn3C)C	LWS	7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1h-indol-2-one
+c1ccc(c(c1)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N)Cl	LWT	4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-8-sulfonamide
+c1ccc(c(c1)N)N2CCOCC2	LWV	2-morpholin-4-ylaniline
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnccc4[nH]3	LWW	n-(4-(phenylsulfonyl)benzyl)-1h-pyrrolo[3,2-c]pyridine-2-carboxamide
+C[P@](=O)(N1CCC[C@H]1C(=O)O)O	LWY	1-[(r)-hydroxy(methyl)phosphoryl]-l-proline
+c1c(nn[nH]1)CNC(=O)CC(S)S	LWZ	3,3-bis(sulfanyl)-~{n}-(1~{h}-1,2,3-triazol-4-ylmethyl)propanamide
+C[C@H](c1ccc2ccccc2c1)Nc3nc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N	LX0	4-(4-amino-6-{[(1r)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-l-phenylalanine
+C[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O	LX1	l-xylulose 5-phosphate
+c1ccc(cc1)C(C[N@](CCCOc2cccc3c2ccn3CC(=O)O)Cc4cccc(c4Cl)C(F)(F)F)c5ccccc5	LX2	[4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1h-indol-1-yl]acetic acid
+CCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	LX3	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol
+C1CCC(C1)C(=O)N2CCNC(=O)C2	LX4	4-cyclopentylcarbonylpiperazin-2-one
+C1[C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)CO)O)O	LX5	[(1~{s},2~{s},3~{s},4~{s})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate
+c1cc(ccc1NC(=S)N)OC(F)(F)F	LX7	1-[4-(trifluoromethyloxy)phenyl]thiourea
+CC(=O)OC(C)(C)[C@@H]1Cc2cc3c(cc2O1)OC(=O)C(=C3)C(C)(C)C=C	LX8	2-[(2s)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7h-furo[3,2-g]chromen-2-yl]propan-2-yl acetate
+c1cc(cc(c1)n2cc(c(n2)N)c3ccc4c(c3)CCNC4=O)c5ccc6cc[nH]c6c5	LX9	6-{3-amino-1-[3-(1h-indol-6-yl)phenyl]-1h-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2h)-one
+COCC(=O)NCc1[nH]c2ccccc2n1	LXA	~{n}-(1~{h}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide
+CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1O)CO)O)O	LXB	2-acetamido-2-deoxy-beta-d-gulopyranose
+C1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O	LXC	beta-l-xylopyranose
+C1[C@@H]([C@H]([C@@H]([C@H]1O)O)CO)[NH3+]	LXE	[(1~{s},2~{s},3~{s},4~{s})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium
+CN(C)CC1=Nc2c3cc(ccc3sc2C(=O)N1)/C=C/C4CC4	LXG	8-[(e)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3h)-one
+C[C@@H](c1ccccc1)C(=O)OC	LXH	methyl (2~{s})-2-phenylpropanoate
+c1ccc(cc1)C(=O)N2CC[C@H]3[C@@H](CNC3=O)C=C2	LXJ	(3~{a}~{s},8~{a}~{s})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one
+CCC[C@@H](c1cccnc1)Nc2c(cnc(n2)c3ccc(c(c3)OC)NC(=O)NCC)C	LXL	1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1s)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea
+c1ccc(cc1)C(=O)N2C[C@H]([C@H]3[C@@H]2c4ccccc4O3)CO	LXM	[(3~{s},3~{a}~{s},8~{b}~{s})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone
+C1(=O)C(=O)NC(=O)NC1=O	LXN	alloxan
+C([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O	LXP	l-xylitol 5-phosphate
+CC(=O)N1CC[C@H](C1)C(=O)O	LXQ	(3~{r})-1-ethanoylpyrrolidine-3-carboxylic acid
+CCN1C(=O)CN(C1=O)[C@@H]2[C@@H]3c4ccccc4[C@H]([C@H]2O)O3	LXS	3-ethyl-1-[(1~{r},8~{s},9~{s},10~{s})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione
+Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCc3ccccc3)NC(=O)[C@H](CCc4ccccc4)N	LXT	(2s)-2-amino-n-[(1s)-1-({(1s)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)-3-phenylpropyl]-4-phenylbutanamide
+[H]/N=C\N1C[C@@H](C[C@@H]1C)NS(=O)(=O)c2cc(ccc2Br)Br	LXV	2,5-dibromo-n-{(3r,5s)-1-[(z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4ccncc4)N	LXW	(2~{s})-1-[(2~{r})-2-azanyl-3,3-diphenyl-propanoyl]-~{n}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
+c1cc2c(cc1c3cc4cn[nH]c4nc3)c(ccn2)c5ccncc5	LXX	6-(1h-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
+C[C@H]1[C@@H](C[C@H](N1S(=O)(=O)c2ccc(cc2)F)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C(F)(F)F)F	LXY	(4r,5s)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-n-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-l-prolinamide
+CC(=O)N[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1O)CO)O)O	LXZ	2-acetamido-2-deoxy-alpha-d-idopyranose
+C[C@@H](C[P@](=O)([C@H](C)N)O)C(=O)O	LY0	(2r)-3-[(r)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+c1cc(c(c2c1CCCNC2)Cl)Cl	LY1	8,9-dichloro-2,3,4,5-tetrahydro-1h-benzo[c]azepine
+c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4	LY2	2-morpholin-4-yl-7-phenyl-4h-chromen-4-one
+c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCc4n[nH]nn4)C(=O)O	LY3	2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-(2h-tetrazol-5-yl)-butyric acid
+CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	LY4	(9r)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9h,18h-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadia zacyclohexadecine-18,20-dione
+C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)O	LY5	(3s,4ar,6s,8ar)-6-{[(2s)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid
+C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N	LY7	n-[(2s)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide
+C[C@H](c1ccccc1)C(=O)OC	LY8	methyl (2~{r})-2-phenylpropanoate
+[C@@H](C([C@H](C(=O)O)O)O)(C(=O)O)O	LY9	l-arabinaric acid
+c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	LYA	2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid
+c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	LYB	2-{4-[4-(4-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-carboxy-butyrylamin o)-4-carboxy-butyrylamino}-pentanedioic acid
+CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C)C	LYC	lycopene
+CC(C)[C@@H](C(=O)O)NC(=O)c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N	LYD	2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-3-methyl-butyric acid
+c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O	LYE	bromophenol blue
+C(CC/N=C(\C[C@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N	LYF	(2e,4s)-2-{[(5s)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
+c1cc2c(cc1Cl)c3c(s2)C(=O)NC(=N3)C[N@@]4CC[C@@H](C4)O	LYG	8-chloro-2-{[(3s)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3h)-one
+C(CN)/C=C/[C@@H](C(=O)O)N	LYH	3,4 ene-lysine
+C(CCN)C[C@@H](CO)N	LYJ	(2s)-2,6-diaminohexan-1-ol
+C(CCN)C[C@@H](C(O)O)N	LYK	(2s)-2,6-diaminohexane-1,1-diol
+Cc1cccc(c1O)CC=C	LYL	2-allyl-6-methyl-phenol
+CC(=O)[C@H](CCCCN)N	LYM	deoxy-methyl-lysine
+C(CC[NH3+])C[C@@H](C(=O)N)N	LYN	2,6-diamino-hexanoic acid amide
+C(CN)C(C[C@@H](C(=O)O)N)O	LYO	4-hydroxy-lysine
+CCCN(C)CCCCC(C(=O)O)N	LYP	n~6~-methyl-n~6~-propyl-l-lysine
+c1cc(c(cc1O)Cl)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N	LYQ	(3~{a}~{r},4~{s},9~{b}~{s})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{h}-cyclopenta[c]quinoline-8-sulfonamide
+CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C\C(=C\CNCCCC[C@@H](C(=O)O)N)\C)/C	LYR	n~6~-[(2z,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenyl]lysine
+C(CC[NH3+])C[C@@H](C(=O)O)N	LYS	lysine
+C(CC[NH3+])C[C@@H](C(=O)[O-])[NH-]	LYS_LEO2	l-lysine c-terminal deprotonated fragment
+C(CC[NH3+])C[C@@H](C(=O)O)[NH-]	LYS_LEO2H	l-lysine c-terminal protonated fragment
+C(CCN)C[C@@H](C(=O)O)[NH-]	LYS_LEO2H_DHZ3	l-lysine-c-terminal protonated fragment/with side chain deprotonated nz
+C(CCN)C[C@@H](C(=O)[O-])[NH-]	LYS_LEO2_DHZ3	l-lysine-c-terminal deprotonated fragment/with side chain deprotonated nz
+C(CC[NH3+])C[C@@H](C(=O)O)N	LYS_LFOH	l-lysine free neutral
+C(CCN)C[C@@H](C(=O)O)N	LYS_LFOH_DHZ3	l-lysine-free neutral/with side chain deprotonated nz
+C(CC[NH3+])C[C@@H](C(=O)[O-])[NH3+]	LYS_LFZW	l-lysine free zwitterion
+C(CCN)C[C@@H](C(=O)[O-])[NH3+]	LYS_LFZW_DHZ3	l-lysine-free zwitterion/with side chain deprotonated nz
+C(CC[NH3+])C[C@@H]([C-]=O)[NH-]	LYS_LL	l-lysine - linking embedded fragment
+C(CCN)C[C@@H]([C-]=O)[NH-]	LYS_LL_DHZ3	l-lysine-linking embedded fragment/with side chain deprotonated nz
+C(CC[NH3+])C[C@@H]([C-]=O)[NH3+]	LYS_LSN3	l-lysine n-terminal protonated fragment
+C(CCN)C[C@@H]([C-]=O)[NH3+]	LYS_LSN3_DHZ3	l-lysine-n-terminal protonated fragment/with side chain deprotonated nz
+CCCCN	LYT	butylamine
+CC(C)CCCNCCCC[C@@H](C(=O)O)N	LYU	n~6~-(4-methylpentyl)-l-lysine
+C(CNC(=O)CNC(=O)[C@H](COP(=O)(O)O)N)[C@@H](C(=O)O)N	LYV	o-phosphono-l-seryl-n-[(3s)-3-amino-3-carboxypropyl]glycinamide
+CCCC[C@@H](C=O)N	LYW	1-amino-1-carbonyl pentane
+C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	LYX	n''-(2-coenzyme a)-propanoyl-lysine
+C(C[C@@H](C(=O)O)N)[C@H](CN)O	LYZ	5-hydroxylysine
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCc2cnnn2CC=O)O)O)O	LZ0	[1-(2-oxoethyl)-1h-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-l-galactopyranoside
+c1ccc2c(c1)cn[nH]2	LZ1	1h-indazole
+c1cc2c(cccc2S(=O)(=O)N)c(c1)O	LZ2	5-hydroxynaphthalene-1-sulfonamide
+c1ccc2c(c1)c(n[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)N	LZ3	n-(4-sulfamoylphenyl)-1h-indazole-3-carboxamide
+c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N	LZ4	4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
+c1ccc(cc1)NC(=O)c2cc[nH]n2	LZ5	n-phenyl-1h-pyrazole-3-carboxamide
+c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl	LZ6	l-gamma-glutamyl-s-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-l-cysteinylglycine
+CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(cc2)F	LZ7	4-(acetylamino)-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide
+c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F	LZ8	n-(4-fluorophenyl)-4-[(phenylcarbonyl)amino]-1h-pyrazole-3-carboxamide
+c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F	LZ9	{[(2,6-difluorophenyl)carbonyl]amino}-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide
+c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)F	LZA	{[(2,6-difluorophenyl)carbonyl]amino}-n-piperidin-4-yl-1h-pyrazole-3-carboxamide
+CC(C)Nc1cc(nc2n1ncc2C#N)Cl	LZB	5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CC(C)Nc1cc(nc2n1ncc2C#N)NC3CCC(CC3)N	LZC	5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)N[C@H]3CCCNC3)F	LZD	4-{[(2,6-difluorophenyl)carbonyl]amino}-n-[(3s)-piperidin-3-yl]-1h-pyrazole-3-carboxamide
+c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl	LZE	4-{[(2,6-dichlorophenyl)carbonyl]amino}-n-piperidin-4-yl-1h-pyrazole-3-carboxamide
+CO[C@H]1C[N@](C[C@@H]1NC(=O)c2ccc(s2)Cl)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O	LZF	5-chloro-n-[(3s,4s)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)F)NC(=O)c4ccc(s4)Cl	LZG	5-chloro-thiophene-2-carboxylic acid ((3s,4s)-4-fluoro- 1-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenylcarbamoyl]-methyl}-pyrrolidin-3-yl)-amide
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3CO)NC(=O)c4ccc(s4)Cl	LZH	5-chloro-thiophene-2-carboxylic acid ((3r,5s)-1-{[2-fluoro-4-(2-oxo-pyridin-1-yl)-phenylcarbamoyl]-methyl}-5-hydroxymethyl-pyrrolidin-3-yl)-amide
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3C(=O)NCC4CC4)NC(=O)c5ccc(s5)Cl	LZI	(4r)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-n-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-l-prolinamide
+c1cc(c(c(c1)Br)c2cc3cnc(nc3nc2N)N)Br	LZJ	6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
+COc1cccc(c1c2cc3cnc(nc3nc2N)N)OC	LZK	6-(2,6-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
+c1ccc(cc1)c2cc3cnc(nc3nc2N4CC=CC4)N	LZL	7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine
+c1cnc2c(cnn2c1)C#N	LZM	pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1ccc(cc1)COc2cccc(c2)C(=O)CC(=O)C(=O)N3CCN(CC3)C(=O)C(=O)CC(=O)c4cccc(c4)OCc5ccccc5	LZP	4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}
+c1ccc(cc1)CN(Cc2ccccc2)c3cccc(c3)C(=O)CC(=O)C(=O)O	LZQ	4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid
+COc1cc2c(cc1OCC3C=C3)C(=O)NC(=N2)N4CCC5=C(C4)C=CN(C5=O)CC6CC6	LZR	6-(cycloprop-2-en-1-ylmethoxy)-2-[6-(cyclopropylmethyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]-7-methoxyquinazolin-4(3h)-one
+CC(C)CN1C=CC2=C(C1=O)CCN(C2)c3nc4cc(c(cc4c(n3)NS(=O)(=O)CC(F)(F)F)OCC5CC5)OC	LZS	n-{6-(cyclopropylmethoxy)-7-methoxy-2-[6-(2-methylpropyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]quinazolin-4-yl}-2,2,2-trifluoroethanesulfonamide
+Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)C[C@@H]3CC(=O)c4c3cc(cc4)OC	LZT	n~2~-{[(1s)-6-methoxy-3-oxo-2,3-dihydro-1h-inden-1-yl]acetyl}-n-{(1s)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}-l-threoninamide
+CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC	LZU	10-{2-[(2s)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10h-phenothiazine
+CCOC(=O)[C@@H]1CN2C(=O)CCN2C13CCCC3	LZV	ethyl (6~{r})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate
+c1cc(ccc1[C@H]2C3=C(CCC3)c4cc(ccc4N2)S(=O)(=O)N)O	LZW	(4~{s})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{h}-cyclopenta[c]quinoline-8-sulfonamide
+CN1Cc2cc(ccc2NCCC1=O)F	LZY	8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one
+CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O	LZZ	(3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one
+CC[C@@H](CO)NC(=O)CCC1=Nc2ccccc2C(=O)N1	M00	n-[(2s)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
+c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)CN	M01	1-[1-(9h-purin-6-yl)piperidin-4-yl]methanamine
+c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)N	M02	1-(9h-purin-6-yl)piperidin-4-amine
+c1cc(ccc1C2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl	M03	1-[4-(4-chlorophenyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
+c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl	M04	1-[4-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
+c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+])Cl	M05	4-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium
+CC1=C(C(=O)N(C=C1)Cc2c3cccnc3n[nH]2)Oc4cc(cc(c4)Cl)C#N	M06	3-chloro-5-{[4-methyl-2-oxo-1-(2h-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile
+COc1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	M07	(5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-methoxyphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol
+c1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	M08	(5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol
+c1cc(ccc1C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2)[N+](=O)[O-]	M09	(3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
+CCCCc1nc2c(n1Cc3cccc(c3)CN)c4ccccc4nc2N	M0A	1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
+Cc1c(c(nn1c2c(cc(cn2)C3CC3)F)OC(C)C)Oc4c(cccc4F)F	M0B	2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine
+c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H](C3)N(C[C@@H]4O)CC(=O)N	M0D	2-[(2r,5r,6s)-5-hydroxy-1,2,4,5,6,7-hexahydro-3h-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O	M0E	moenomycin
+C([C@@H](C(=O)O)N)SCO	M0H	s-(hydroxymethyl)-l-cysteine
+C[C@@H](CNC(=O)Nc1ccccc1)O	M0J	n-[(2s)-2-hydroxypropyl]-n'-phenylurea
+c1cc(c(cc1F)OCC(=O)O)C(=O)NCC2CC2	M0K	2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid
+CN1C2=C(C(=S)N(C1=O)C)N[C@@H](N2)SCCN3CCOCC3	M0M	(8s)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2h-purin-2-one
+c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O	M0N	(1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid)
+CN1c2c([nH]c(n2)SCCN3CCOCC3)C(=O)N(C1=O)C	M0P	1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1h-purine-2,6-dione
+CNc1ccnc2c1cncc2	M0Q	~{n}-methyl-1,6-naphthyridin-4-amine
+CN1c2c(nc([nH]2)SCCN3CCCC3)C(=S)N(C1=O)C	M0S	1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2h-purin-2-one
+CC[C@H](c1ccccc1)NC(=O)c2ccc3c(c2)nc(n3Cc4ccc(c(c4)Cl)Cl)C	M0T	1-(3,4-dichlorobenzyl)-2-methyl-n-[(1r)-1-phenylpropyl]-1h-benzimidazole-5-carboxamide
+CN1c2c(n(cn2)C[C@H](CN3CCOCC3)O)C(=O)N(C1=O)C	M0V	7-[(2s)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+CNc1c2ccccc2ncn1	M0W	~{n}-methylquinazolin-4-amine
+c1ccc2c(c1)cccc2n3cc(c(n3)C(=O)N)NC(=O)N	M0Y	4-(carbamoylamino)-1-(naphthalen-1-yl)-1h-pyrazole-3-carboxamide
+COc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N	M0Z	4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide
+[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-]	M10	(mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (vi)
+CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N	M11	n^6^-[(1r,2s)-1-({[(1r)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-l-lysine
+CC(C)CCCCCCCCC(=O)O	M12	10-methylundecanoic acid
+c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)COc2cc(cc(c2)Cl)Oc3cc(cc(c3)Cl)C#N	M14	2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-n-(2-chloro-4-sulfamoylphenyl)acetamide
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)I	M15	{5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
+Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N	M16	7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
+CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O	M17	methyl {(2s)-1-[2-(biphenyl-4-ylmethyl)-2-{(4r)-4-hydroxy-5-{[(2s)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
+CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1COC(=O)Cc2cccc(c2)Cl	M18	{(2s)-1-[n-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate
+C[n+]1cnc2c(c1N)nc[nH]2	M1A	6-amino-1-methylpurine
+[H]/N=C(\c1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)/C(=N\[H])/N)/N	M1B	2-{3'-[amino(imino)methyl]biphenyl-4-yl}-1h-benzimidazole-5-carboximidamide
+CCCC[C@@H](C(CNC1CC1)(O)O)N	M1C	(3s)-3-amino-1-(cyclopropylamino)heptane-2,2-diol
+CN1c2c(n(cn2)CCCC(=O)O)C(=O)N(C1=O)C	M1D	4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)butanoic acid
+CNc1c2c(ccs2)ncn1	M1E	~{n}-methylthieno[3,2-d]pyrimidin-4-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)O)CO)O)O)O)O	M1F	alpha-maltose 1-phosphate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N=CC=CN4C2=O	M1G	3-(2-deoxy-beta-d-ribofuranosyl)-pyrido[5,6-a]-purine-10-one-5'-monophosphate
+CNc1ccnc2c1CCCC2	M1H	~{n}-methyl-5,6,7,8-tetrahydroquinolin-4-amine
+C[C@H]1COCCN1c2nc(nc(n2)N3CCOCC3)c4cnc(cc4C(F)F)N	M1J	4-(difluoromethyl)-5-{4-[(3s)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine
+CN1CCc2c(cc\3c(c2C1)NC(=O)/C3=N/O[C@@H](CCO)C(=O)O)c4ccc(cc4)S(N(C)C)(O)O	M1L	2-({[(3e)-5-{4-[(dimethylamino)(dihydroxy)-lambda~4~-sulfanyl]phenyl}-8-methyl-2-oxo-6,7,8,9-tetrahydro-1h-pyrrolo[3,2-h]isoquinolin-3(2h)-ylidene]amino}oxy)-4-hydroxybutanoic acid
+CS(=O)(=O)SCSS(=O)(=O)C	M1M	1,1-methanediyl bismethanethiosulfonate
+B([C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2c1cccc2)NC(=O)N3CCOCC3)(O)O	M1N	(1r)-3-methyl-1-{[n-(morpholin-4-ylcarbonyl)-3-(1-naphthyl)-d-alanyl]amino}butylboronic acid
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O	M1P	1-o-phosphono-alpha-d-mannopyranose
+C1CCC2=NC(=O)NC(=O)C2C1	M1Q	5,6,7,8-tetrahydro-4~{a}~{h}-quinazoline-2,4-dione
+CCC(=O)N1CCN(CC1)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6	M1R	1-{4-[2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
+c1c(c2c(c(c1O)Cl)CC(=O)CCCCC\C=C\CCOC2=O)O	M1S	(5e)-14-chloro-15,17-dihydroxy-4,7,8,9,10,11-hexahydro-2-benzoxacyclopentadecine-1,12(3h,13h)-dione
+COCC(=O)CCCC(O)O	M1T	6,6-dihydroxy-1-methoxyhexan-2-one
+CCC1=C(/C(=C/C2=N/C(=C\c3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)CC)C)CCC(=O)O)/C(=C2C)CCC(=O)O)/NC1=O)C	M1V	mesobiliverdin ix(alpha)
+COCCCNC(=O)c1nc(no1)c2cccc3c2cc[nH]3	M1W	3-(1h-indol-4-yl)-n-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide
+C[C@@H](C(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F	M1X	{(2s)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2s)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile
+CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O	M1Y	(1s)-1,4-anhydro-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-o-phosphono-d-xylitol
+C1CCN(C1)C2=NC(=O)NC(=O)C2	M1Z	6-pyrrolidin-1-yl-5~{h}-pyrimidine-2,4-dione
+C\C=C/C=C/CCCCCCCCCO	M21	(10e,12z)-tetradeca-10,12-dien-1-ol
+c1ccc2c(c1)c(n[nH]2)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl	M22	3-chloro-5-[2-chloro-5-(1h-indazol-3-ylmethoxy)phenoxy]benzonitrile
+CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)Br	M23	7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine
+c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)F	M24	5'-o-[(r)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine
+CC(=O)NCCc1ccc(cc1)S(=O)(=O)N	M25	n-{2-[4-(aminosulfonyl)phenyl]ethyl}acetamide
+[O-][Mo]1(O[Mo](O1)([O-])([O-])([O-])[O-])([O-])([O-])[O-]	M27	bis(mu2-oxo)-octaoxo-dimolybdenum (vi)
+c1cc(ccc1CCC(=O)O)S(=O)(=O)N	M28	3-[4-(aminosulfonyl)phenyl]propanoic acid
+CCOC(=O)CCc1ccc(cc1)S(=O)(=O)N	M29	ethyl 3-[4-(aminosulfonyl)phenyl]propanoate
+CNc1ccccc1C(=O)O[C@@H]2[C@@H]([C@@H](O[C@H]2n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O)O	M2A	[(2~{r},3~{r},4~{r},5~{s})-2-(6-aminopurin-9-yl)-4-oxidanyl-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
+c1ccc(cc1)n2c(c(cn2)C(=O)N)N	M2B	5-amino-1-phenylpyrazole-4-carboxamide
+CSCC[C@@H](C(c1ccccn1)(O)O)N	M2C	(2s)-2-amino-4-(methylsulfanyl)-1-pyridin-2-ylbutane-1,1-diol
+C[C@@H]1/C=C/C(=O)NC/C=C\C(=C\[C@H](C[C@@H](Cc2nc(co2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)C)O)O)\C	M2D	madumycin ii
+c1cc(ccc1C(=O)N2CCC[C@@H](C2)O)Cl	M2E	(4-chlorophenyl)-[(3~{s})-3-oxidanylpiperidin-1-yl]methanone
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F	M2F	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-mannopyranoside
+CN(C)C1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1	M2G	n2-dimethylguanosine-5'-monophosphate
+Cc1cc([nH]c1C#N)C	M2H	3,5-dimethyl-1~{h}-pyrrole-2-carbonitrile
+C1CCc2c(c([nH]n2)C(=O)O)C1	M2K	4,5,6,7-tetrahydro-2~{h}-indazole-3-carboxylic acid
+CN(C)CCSC[C@@H](C(=O)O)N	M2L	(2r)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid
+COCCOCCOC	M2M	1-methoxy-2-(2-methoxyethoxy)ethane
+c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N	M2N	5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O	M2P	d-mannitol-1,6-diphosphate
+CC(C)(C[S@](=O)C)[C@@H](C(=O)O)N	M2S	3-{[(r)-methylsulfinyl]methyl}-l-valine
+CS(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	M2T	5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine
+Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O	M2V	[(1r)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
+C[C@@H]([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)OC	M2W	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-o-methyl-d-threonine
+Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4ccccc4)P(=O)(O)O	M2Y	[(1s)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
+Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)N4CCNCC4	M2Z	1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
+C1CCC(CC1)NCC(=O)O	M30	n-cyclohexylglycine
+c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CN)Cl	M31	n-(benzylsulfonyl)glycyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	M32	n-(benzylsulfonyl)-d-alanyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+C[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	M33	5'-o-[(s)-hydroxy{[(s)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine
+CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	M34	n-(benzylsulfonyl)-d-leucyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)CN)C(F)(F)F	M35	1-[3-(aminomethyl)phenyl]-n-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
+CC(=CCc1c2c(cc(c1OC)OCCCCCCC(=O)O)Oc3cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C	M36	7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid
+c1ccc(c(c1)CN)n2c(cc(n2)C(F)(F)F)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)N	M37	1-[2-(aminomethyl)phenyl]-n-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
+c1ccc2c(c1)C3=C(c4ccccc4C3=O)N(C2=O)CCCC(=O)O	M38	4-(5,11-dioxo-5h-indeno[1,2-c]isoquinolin-6(11h)-yl)butanoate
+Cc1ccccc1N2C(=O)c3c[nH]nc3N=C2SCc4cccc(c4)F	M39	6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)C#N)N	M3A	5-amino-3-[(4-cyanophenyl)amino]-n-phenyl-1h-1,2,4-triazole-1-carboxamide
+COCCN[C@@H](N)NCCCCN	M3B	(1~{s})-~{n}'-(4-azanylbutyl)-~{n}"-(2-methoxyethyl)methanetriamine
+CSCC[C@@H](C(c1nccs1)(O)O)N	M3C	(2s)-2-amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-yl)butane-1,1-diol
+c1ccc2c(c1)C=C(c3ccc(cc3O2)c4ccc(c(c4)C#N)O)C(=O)NCCN5CCOCC5	M3D	7-(3-cyano-4-hydroxyphenyl)-n-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide
+c1ccc(cc1)C2=CC(=O)NC(=O)N2	M3E	6-phenyl-1~{h}-pyrimidine-2,4-dione
+Cc1cc(nc2c1-c3ccccc3C(=O)N2)C(F)(F)F	M3F	1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5h)-one
+c1ccc(cc1)C2=NCCN2	M3H	2-phenyl-4,5-dihydro-1~{h}-imidazole
+Cc1cc(no1)N	M3I	5-methyl-1,2-oxazol-3-amine
+c1ccc(cc1)Nc2nc3ccc(cc3c(n2)N)Br	M3J	6-bromo-n~2~-phenylquinazoline-2,4-diamine
+c1cc(c(cc1I)F)Nc2cc(cc(c2C(=O)N)OCC[C@H](CO)O)F	M3K	2-([3r-3,4-dihydroxybutyl]oxy)-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide
+C[N+](C)(C)CCCC[C@@H](C(=O)O)N	M3L	n-trimethyllysine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	M3M	3-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose
+c1c(nnn1[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	M3N	4-(hydroxymethyl)-1-(alpha-d-mannopyranosyl)-1h-1,2,3-triazole
+CSCC[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O	M3O	3'-o-(n-formyl-l-methionyl)adenosine 5'-(dihydrogen phosphate)
+CC(=O)\C=C\C=C(/C(=O)O)\O	M3P	(2e,4e)-2-hydroxy-6-oxohepta-2,4-dienoic acid
+c1cc2cccnc2c(c1)CP(=O)(O)O	M3Q	[(quinolin-8-yl)methyl]phosphonic acid
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N[P@@](=O)(C)O	M3R	methyl phosphonated l-arginine
+Cc1cccc(c1OC(=O)C)C(=O)O	M3S	2-(acetyloxy)-3-methylbenzoic acid
+Cc1cccc(c1)S	M3T	3-methylbenzenethiol
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)C#N)/C(=O)N1CC(=O)O)N)O	M3V	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C	M3W	8-methyl-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
+c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N	M3Y	5-amino-n-phenyl-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carboxamide
+CN(Cc1ccccc1)CC2=NC(=O)NC(=O)C2	M3Z	6-[[methyl-(phenylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione
+c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(O)S(=O)(=O)O	M40	(1r,2s)-2-({n-[(benzyloxy)carbonyl]-3-cyclohexyl-l-alanyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	M41	n-(benzylsulfonyl)-d-valyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+CC1=CC(=O)Nc2c1ccc3c2OCO3	M42	6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one
+C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C1=[N]7[C@H](C5)[C@H]([C@@H]1C[C@@H](C9=O)SC)CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O	M43	(17[2]s)-17[2]-methylthio-coenzyme f43
+CC(C)NP(=O)(NC(C)C)O	M44	n,n'-bis(1-methylethyl)phosphorodiamidic acid
+c1nc([nH]n1)N[C@H]2CCCN2	M45	~{n}-[(2~{s})-pyrrolidin-2-yl]-1~{h}-1,2,4-triazol-5-amine
+c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N	M46	7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine
+c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N	M48	7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine
+CC(=O)NCC[C@@H]1c2cc(ccc2NC1=O)NC(=O)C	M49	n-{(3r)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1h-indol-5-yl}acetamide
+Cc1cc(c2ccccc2n1)N	M4A	2-methylquinolin-4-amine
+CC1=C(C(=NC(=O)N1)c2ccccc2)[N+](=O)[O-]	M4B	6-methyl-5-nitro-4-phenyl-1~{h}-pyrimidin-2-one
+CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	M4C	n-methyl-2'-o-methylcytidine 5'-(dihydrogen phosphate)
+CCCCCc1cc2c(cccc2nc1N)CCCCN	M4D	5-(4-azanylbutyl)-3-pentyl-quinolin-2-amine
+CNC(=O)c1c2ccccc2[nH]n1	M4E	~{n}-methyl-2~{h}-indazole-3-carboxamide
+c1cc(ccc1NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)OCC(=O)O	M4G	[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid
+c1cc2ccn(c2nc1)C3(CCCC3)CN4C=C(C(=O)C(=C4)O)C(=O)O	M4H	5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
+c1ccc2c(c1)ccc3c2ccc(c3)c4cc(nn4c5ccc(cc5)NC(=O)CN)C(F)(F)F	M4J	n-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}glycinamide
+c1ccc(cc1)CN(CC2=NC(=O)NC(=O)C2)C3CC3	M4K	6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(cc4)S(=O)(=O)N	M4M	1-amino-9,10-dioxo-4-[(4-sulfamoylphenyl)amino]-9,10-dihydroanthracene-2-sulfonic acid
+CNC(=O)c1cc(n[nH]1)c2ccccc2	M4N	~{n}-methyl-3-phenyl-1~{h}-pyrazole-5-carboxamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OC/C=C(/C)\CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)N)O)O)O	M4O	(2r)-3-{[(s)-{[(2r,3r,4r,5s,6s)-3-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-5-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-5-{[(2r,3r,4s,5r,6s)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-4-hydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)tetrahydro-2h-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2h-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-{[(2z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}propanoic acid
+c1cc(ccc1C#N)Nc2nc(n(n2)C(=O)Nc3ccc(cc3)OCC(=O)O)N	M4P	[4-({5-amino-3-[(4-cyanophenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid
+CN(Cc1ccsc1)CC2=NC(=O)NC(=O)C2	M4Q	6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione
+Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N	M4R	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2r)-2-(methylamino)propyl]benzonitrile
+COc1ccc(cc1)S(=O)(=O)N	M4S	4-methoxybenzenesulfonamide
+CC(=O)Nc1cccnc1	M4T	~{n}-pyridin-3-ylethanamide
+c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N	M4V	2-amino-6-(4-bromophenyl)-5-phenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	M4Y	parthenolide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NCC)\N	M4Z	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide
+Cc1cc(n(n1)c2ccccc2)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5	M51	{(2s,4s)-4-[4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone
+C[N@@](CC(=O)Nc1ccc(cc1)OC)S(=O)(=O)c2cc(cnc2N)Br	M52	n~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-n-(4-methoxyphenyl)-n~2~-methylglycinamide
+c1cc(cc(c1)O)C2=CNC(=O)c3c2cc(c4c3cc(cc4)c5c[nH]nc5)CCCN	M54	6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1h-pyrazol-4-yl)benzo[h]isoquinolin-1(2h)-one
+c1ccc(cc1)COC(=O)[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O	M55	benzyl alpha-d-glucopyranuronate
+c1cc(ccc1c2nc(co2)C(=O)O)NC(=O)n3c(nc(n3)Nc4ccc(cc4)S(=O)(=O)N)N	M57	2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid
+c1cc(cnc1)[C@H](N)S	M58	(~{r})-azanyl(pyridin-3-yl)methanethiol
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@]4(CC[C@H]3C4)CO)N	M59	[(1s,3s,4s)-3-(6-amino-9h-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol
+C[C@@H](c1ccc(cc1)C(=O)c2cccs2)C(=O)O	M5A	(2s)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
+c1cc(sc1)S(=O)(=O)Nc2[nH]ccn2	M5B	~{n}-(1~{h}-imidazol-2-yl)thiophene-2-sulfonamide
+COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)OCCN)O	M5C	dimethyl(1s,2s,4s,5s)-4-(2-aminoethoxy)-5-hydroxycyclohexane-1,2-dicarboxylate
+C[C@@H]1C[C@H]1C(=O)N2CCN(C[C@H]2C)c3cnc(c(n3)c4cnn(c4)C)C#N	M5D	5-{(3r)-3-methyl-4-[(1r,2r)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1h-pyrazol-4-yl)pyrazine-2-carbonitrile
+c1ccc(cc1)[C@@H]([C@@H]2CCCN2)O	M5E	(~{s})-phenyl-[(2~{s})-pyrrolidin-2-yl]methanol
+C1=C(C(=O)NC(=O)N1C[C@H](CN)N)F	M5F	1-[(2s)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)c([nH]n2)C3NCCN3	M5H	3-imidazolidin-2-yl-2~{h}-indazole
+CC(C)(C)C(=O)N1CCC[C@H]1c2cccc(c2)F	M5J	1-[(2s)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
+Cc1cc(nc2c1cccc2)N	M5K	4-methylquinolin-2-amine
+CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	M5M	2'-(n-acetamide)-cytidine-5'-monophosphate
+CC(C)C1=NC(=O)N=C2C1CCCC2	M5N	4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{h}-quinazolin-2-one
+c1ccc(cc1)CCC[C@H](CS)C(=O)O	M5P	(s)-2-(mercaptomethyl)-5-phenylpentanoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	M5T	5-methyluridine triphosphate
+c1cc(cc(c1)Cl)N2C[C@@H]3C[C@H]2CN3c4c(cnc(n4)c5cccnc5)C#N	M5V	4-[(1s,4s)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile
+CC(C)(C)n1c(c(c(n1)c2cccc(c2)OC)C(=O)N)N	M5W	5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide
+c1cc(c(cc1F)F)CN	M5Y	1-(2,4-difluorophenyl)methanamine
+c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CN)O)O)N)O)O)N)N)N)O	M5Z	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-o-[(1r)-3-phenylpropylidene]-alpha-d-glucopyranoside
+CC(C)[C@@H](C(=O)NN(CC(=O)O)C(=O)C[C@@H](C(=O)NCCc1ccccc1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)OCc2ccccc2	M60	(4s)-5-[[(2s)-1-[2-(carboxymethyl)-2-[(3s)-3-hydroxy-4-oxo-4-(phenethylamino)butanoyl]hydrazinyl]-3-methyl-1-oxo-butan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
+CN(C[C@@H]1COCCO1)S(=O)(=O)Nc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6	M61	n-[(2r)-1,4-dioxan-2-ylmethyl]-n-methyl-n'-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide
+c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N	M62	7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine
+C[C@H]1CCCCN1C(=O)C[C@@H](C(=O)O)N	M64	(2s)-2-amino-4-[(2s)-2-methylpiperidin-1-yl]-4-oxobutanoic acid
+CCOC(=O)CCCCCCn1ccnc1	M65	ethyl 7-imidazol-1-ylheptanoate
+CCC[C@@H](C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C3Cc4ccccc4C3)NC(=O)N[C@H](CN5CCCCC5=O)C(C)(C)C	M66	(1r,2s,5s)-3-{(2s)-2-(2,3-dihydro-1h-inden-2-yl)-2-[({(1s)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-n-{(1s)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NCCC)\N	M67	(2s)-n-(4-carbamimidoylbenzyl)-1-[(2r)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]azetidine-2-carboxamide
+c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N	M68	7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine
+[H]/N=C(\NCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6A	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[n'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate
+[H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6B	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	M6D	6-o-phosphono-beta-d-mannopyranose
+[H]/N=C(/NCCCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC	M6E	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[n'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate 
+[H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@@H]([C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)O)C)O)C)(C)O)OCC#C)C)/NC(=O)NC	M6F	(3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate
+[H]/N=C(\NCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6G	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[n'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate
+c1ccc(cc1)CC2NCCN2	M6H	2-(phenylmethyl)imidazolidine
+c1ccc(cc1)[C@H]2CCCN2C(=O)C[C@@H](C(=O)O)N	M6J	(2s)-2-amino-4-oxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butanoic acid
+Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)C(=O)NCc3ccc(cc3F)F	M6M	n-{(2s)-1-({(2s)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2s)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
+CC1=Nc2cnccc2C(=O)N1	M6N	2-methyl-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CCCCCCCCCCCC(=O)NC12CO34[Al]5678O9[Mo]33(O[Mo]44(O5[Mo]5(O4)(O6(C1)[Mo]1(O5)(O7[Mo]4(O1)(O8(C2)[Mo]9(O4)(O3)([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O]	M6O	lauric acid functionalized hexamolybdoaluminate
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O	M6P	6-o-phosphono-alpha-d-mannopyranose
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccnc(c3)N)N	M6Q	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O	M6R	5-amino-5-deoxy-1-o-phosphono-d-mannitol
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NC)\N	M6S	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide
+Cc1c(c(nc(n1)C)N)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@](=O)(O)[O-]	M6T	6'-methyl-thiamin diphosphate
+[H]/N=C(/NCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC	M6V	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[n'-(methylcarbamoyl)carbamimidamido]butyl}carbamate
+CNC(=O)[C@H]1CCNC1	M6W	(3~{s})-~{n}-methylpyrrolidine-3-carboxamide
+Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c3ccccc3)C(=O)N[C@@H](C)C(=O)NCc4ccc(cc4F)F	M6Y	n-{(2s)-1-({(2s)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
+CNC(=O)c1c2cc(ccc2[nH]n1)I	M6Z	5-iodanyl-~{n}-methyl-1~{h}-indazole-3-carboxamide
+CO[C@H](c1ccccc1)[C@H](C(=O)O)O	M72	(2r,3r)-2-hydroxy-3-methoxy-3-phenylpropanoic acid
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@H](C)C(=O)OC)O)S(=O)(=O)c2ccc(cc2)OC	M73	methyl (2s)-3-({[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamoyl}oxy)-2-methylpropanoate
+c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)O	M74	(2s,3r)-2,3-dihydroxy-3-phenylpropanoic acid
+c1c(nc[nH]1)S(=O)(=O)NC2CC2	M75	~{n}-cyclopropyl-1~{h}-imidazole-4-sulfonamide
+c1ccc2c(c1)C(=C(N(C2=O)O)O)C(=O)NCc3ccc(cc3)F	M76	n-(4-fluorobenzyl)-2,3-dihydroxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3	M77	5-(1,4-diazepan-1-sulfonyl)isoquinoline
+Cc1c([nH]c2c1cc(cc2)C(=O)NC)C	M78	~{n},2,3-trimethyl-1~{h}-indole-5-carboxamide
+CN1CN(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	M7A	7-methyl, adenosine-5'-monophosphate
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O)OP(=O)(O)O	M7B	7-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+c1ccc(cc1)C(=O)/N=C\2/NC(=O)[C@]3(S2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	M7C	n-[(2z,5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide
+C[C@]1(Cn2cccc2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N	M7D	n-{3-[(3r)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)C	M7E	1-alpha-hydroxy-27-nor-25-o-carbonyl-vitamin d3
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O	M7G	7n-methyl-8-hydroguanosine-5'-diphosphate
+CC(=O)N1CCC(CC1)c2cc3c(n2C)ncc(n3)c4ccc(cc4)OC	M7H	1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone
+c1cc(cc(c1)F)CNCCc2ccc3ccc(nc3c2)N	M7K	7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine
+CN1CN(C2=C1C(=O)N=C(N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O	M7M	n,n,7-trimethylguanosine 5'-(trihydrogen diphosphate)
+CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3	M7N	~{n}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide
+c1ccc(cc1)CNC(=O)Nc2ccccc2C(=O)O	M7O	2-[(phenylmethyl)carbamoylamino]benzoic acid
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O	M7P	7-o-phosphono-d-glycero-alpha-d-manno-heptopyranose
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@@H](Cc6ccccc6)C(=O)O	M7R	(2r)-2-benzyl-3-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](Cc6ccccc6)C(=O)O	M7S	(2s)-2-benzyl-3-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid
+c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc(cc3)CN4CCCC4	M7T	~{n}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O	M7U	(2r)-2-(hexadecanoyloxy)-3-{[(10r)-10-methyloctadecanoyl]oxy}propyl phosphate
+CCCC[C@@]1(C[C@H]1[C@@H](C(=O)O)N)C(=O)O	M7V	(1s,2r)-2-[(s)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid
+CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)NCc3ccc(nc3)OC	M7W	4-(4-ethanoylphenyl)-~{n}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide
+CC1(CN(C(=O)N1c2ccccc2/C=C/C(=O)NO)C3CCCC3)C	M7Y	(2e)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-n-hydroxyprop-2-enamide
+c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)Cl	M7Z	4-chloranyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide
+c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CCC(=O)O)NC(=O)OCc3ccccc3	M80	3-[4-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)phenyl]propanoic acid
+c1ccc(c(c1)Cn2c(cc(n2)C(=O)O)C(=O)O)Cl	M81	1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
+c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)I	M82	4-iodanyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide
+c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N	M83	5-(3-cyanophenyl)furan-2-carboxylic acid
+c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O	M84	3-{4-[(phenylcarbonyl)amino]phenyl}propanoic acid
+CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N	M85	7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OCCN2CCNC2=O)O)S(=O)(=O)c3ccc(cc3)OC	M86	2-(2-oxoimidazolidin-1-yl)ethyl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
+c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N	M87	7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine
+CCCCCCC/C=C\CCCCCCC(=O)OC[C@H](CO)O	M88	1-(8z-hexadecenoyl)-rac-glycerol
+c1ccc(cc1)COC(=O)N2CCC[C@@H]2C(=O)Nc3ccc(cc3)CCC=O	M8A	benzyl (2r)-2-{[4-(3-oxopropyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate
+CC(C)(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	M8B	methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3z,8s,11r)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	M8C	methyl alpha-d-galactopyranuronate
+CCCCCc1cc2c(cccc2nc1N)Cc3cccc(c3)CN	M8D	5-[[3-(aminomethyl)phenyl]methyl]-3-pentyl-quinolin-2-amine
+C[N@@](CCCCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2c(nc3c2ncnc3N)C=C)O)O	M8E	5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine
+CSCC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	M8F	n-[(5s)-5-amino-5-carboxypentanoyl]-l-cysteinyl-d-methionine
+c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccccc3/C=C/C(=O)NO	M8G	n-{2-[(1e)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide
+c1cc(ccc1NC(=O)CN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N	M8J	2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-n-(4-sulfamoylphenyl)acetamide
+c1cc(ccc1C#N)C(=O)Nc2ccc3c(c2)nc([nH]3)CN4CCCCC4	M8K	4-cyano-~{n}-[2-(piperidin-1-ylmethyl)-1~{h}-benzimidazol-5-yl]benzamide
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCON)O)O)N	M8M	5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine
+Cc1cc(ccc1NCNO)CCC(C)C	M8N	~{n}-[[[2-methyl-4-(3-methylbutyl)phenyl]amino]methyl]hydroxylamine
+C(C(=O)CC(=O)O)C(=O)C=CC(=O)O	M8O	4-maleylacetoacetic acid
+c1ccc2cc(ccc2c1)C(=O)/N=C\3/NC(=O)[C@]4(S3)[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	M8P	n-[(2z,5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]naphthalene-2-carboxamide
+CS(=O)(=O)NCc1cccc(c1)c2cccc(c2)C(=O)O	M8Q	3-[3-(methylsulfonylaminomethyl)phenyl]benzoic acid
+c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O)S(=O)(=O)N	M8S	2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-n-(4-sulfamoylphenyl)acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6ncnc7N)O)F)N	M8T	2'-fluoro-,3',3'-c-di-amp
+c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)S(=O)(=O)N	M8V	2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-n-(4-sulfamoylphenyl)acetamide
+CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	M8Y	methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3z,8s,11r)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+CC(C)(C#N)c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(C)(C)C#N	M8Z	2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide
+CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](COc2ccncc2)O)NC(=O)[C@H](Cc3ccccc3)OC(=O)N4CCC(CC4)N	M90	(2s)-1-{[(2r)-1-{[(2s,3r)-1-cyclohexyl-3-hydroxy-4-(pyridin-4-yloxy)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate
+CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](CN2C=CC=CC2=O)O)NC(=O)[C@H](Cc3ccccc3)OC(=O)N4CCC(CC4)N	M91	(2s)-1-{[(2r)-1-{[(2s,3s)-1-cyclohexyl-3-hydroxy-4-(2-oxopyridin-1(2h)-yl)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate
+CC(C)c1cc(cc(n1)C(C)C)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N	M92	2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide
+CNCCc1cccc(c1)OCc2ccc3ccc(nc3c2)N	M94	7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
+c1ccc(cc1)C[C@@H](CO)NC(=O)/C=C/C2=NC(=O)c3ccccc3N2	M95	(2e)-n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide
+C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1O)O)O)O)CO	M96	(1~{s},2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)C4=C[n+]5cccc6c5c4ccc6	M97	1-[(3r,4r)-4-(1h-indol-3-yl)-2,5-dioxopyrrolidin-3-yl]pyrrolo[3,2,1-ij]quinolinium
+c1cc(c[n+](c1)[O-])C[C@@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O	M98	(s)-3-(2-(3-cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)ethy l)pyridine 1-oxide
+c1cc(c[n+](c1)[O-])C[C@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O	M99	(r)-3-(2-(3-cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)ethyl)pyridine 1-oxide
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc4c3ccc(c4)C#N)F	M9A	5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	M9B	1-alpha-hydroxy-vitamin d3
+C[C@@H](c1[nH]c(cn1)c2ccccc2F)N	M9D	(1s)-1-[5-(2-fluorophenyl)-1h-imidazol-2-yl]ethan-1-amine
+CNCC(=O)NCc1ccc(cc1)CNC(=O)CNC	M9E	2-(methylamino)-~{n}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide
+CC([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)SC	M9F	(2s)-2-amino-6-[[(2r)-1-[[(2s)-1-hydroxy-3-methylsulfanyl-1-oxo-butan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid
+Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c3ccccc3)C(=O)N[C@@H](C)c4[nH]c(cn4)c5ccccc5F	M9G	n-{(2s)-1-({(1s)-1-[5-(2-fluorophenyl)-1h-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide
+CNCC(=O)NCc1cccc(c1)CNC(=O)CNC	M9H	2-(methylamino)-~{n}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide
+c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC7CCC7	M9J	n-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2s)-pyrrolidin-2-yl]methyl}-1h-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine
+c1nc2c(c(sc2c(n1)SCC(=O)O)Cl)C3CC3	M9K	2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid
+Cc1cc(no1)CN2c3ccc(cc3OCC2=O)CCCCC4CCN(CC4)C	M9M	4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2h-1,4-benzoxazin-3(4h)-one
+Cc1c(c2c(s1)NCN[C@H]2SCC(=O)O)Cl	M9N	2-[[(4~{s})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid
+C(C[C@@H]([C@@H](C(F)(F)F)O)N)CNC(=[NH2+])N	M9P	amino{[(4s,5s)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium
+CCOC(=O)/C=C\C1(CC1)[C@@H](/C=C/[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C)O	M9Q	ethyl (~{z})-3-[1-[(~{e},1~{r},4~{r})-4-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[(2~{z})-2-[(3~{s},5~{r})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate
+c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6	M9S	5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2s)-pyrrolidin-2-yl]methyl}-1h-indole
+Cc1cc(ccc1Nc2ncc3c(n2)N(C(=O)N3C)C4CCC(CC4)O)OC	M9T	2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one
+C[C@](Cn1cc[n+](n1)C)([C@H](C(=O)O)N/C=C/C=O)S(O)O	M9W	enmetazobactam derived trans-enamine adduct.
+c1cc2c(ccn2CCC3CCNCC3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC(F)(F)F	M9Y	3-(2-{1-[2-(piperidin-4-yl)ethyl]-1h-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-n-(2,2,2-trifluoroethyl)prop-2-yn-1-amine
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)NCCCn3cc(nn3)CN)S(=O)(=O)c4ccccc4	M9Z	~{n}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide
+C[C@@H](C(=O)OC)N	MA	methyl l-alaninate
+C/[N+](=C\C=C)/[C@@H]1CCc2c1cc(cc2)O	MA0	(1r)-6-hydroxy-n-methyl-n-[(1z)-prop-2-en-1-ylidene]indan-1-aminium
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)S)O	MA1	1,4-dithio-alpha-d-glucopyranose
+CS[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO	MA2	4-s-methyl-4-thio-alpha-d-glucopyranose
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O	MA3	methyl 4-thio-alpha-d-glucopyranoside
+C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	MA4	cyclohexyl-hexyl-beta-d-maltoside
+C1CCC(CC1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	MA5	2-(6-(2-cyclohexylethoxy)-tetrahydro-4,5-dihydroxy-2(hydroxymethyl)-2h-pyran-3-yloxy)-tetrahydro-6(hydroxymethyl)-2h-py ran-3,4,5-triol
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	MA6	6n-dimethyladenosine-5'-monophoshate
+C[n+]1cnc2c(c1N)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	MA7	1n-methyladenosine-5'-monophosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@@H]([C@H]2O)O)O)O)O)NC(=O)[C@H](CS)N)O)O)O	MA8	(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl 2-(l-cysteinylamino)-2-deoxy-alpha-d-glucopyranoside
+CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3CC[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F	MA9	(3r,4r)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine
+C[C@@H](C(=O)O)NC	MAA	n-methyl-l-alanine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)O)CO)O)O)O)O	MAB	mannobiose
+CC(=O)O[Hg+]	MAC	mercury acetate ion
+[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C	MAD	6-hydro-1-methyladenosine-5'-monophosphate
+C(=C/C(=O)O)/C(=O)O	MAE	maleic acid
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)F)O)O)O	MAF	2-deoxy-2-fluoro-alpha-d-mannopyranose
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O	MAG	methyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
+CC(CC(=O)O)(CC(=O)O)O	MAH	3-hydroxy-3-methyl-glutaric acid
+C[C@H]([C@H](CCCNC(=N)N)N)O	MAI	deoxo-methylarginine
+c1cc2c(cc1S(=O)(=O)N)CCC2	MAJ	indane-5-sulfonamide
+C(=O)(C(=O)O)C(=O)O	MAK	alpha-ketomalonic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	MAL	maltose
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MAM	1-o-methyl-alpha-d-mannose
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O	MAN	alpha-d-mannopyranose
+C[N@@](CCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	MAO	5'-deoxy-5'-[n-methyl-n-(2-aminooxyethyl) amino]adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[Mg])O[P@](=O)(NP(=O)(O)O)O)O)O)N	MAP	magnesium-5'-adenyly-imido-triphosphate
+Cc1cccc2c1NC(=NC2=O)N	MAQ	2-amino-8-methylquinazolin-4(3h)-one
+C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2N)O[C@H]3C[C@@](Cc4c3c(c5c(c4O)C(=O)c6cccc(c6C5=O)OC)O)(C(=O)C)O)C)O)O	MAR	4'-epi-4'-(2-deoxyfucose)daunomycin
+CN(C)S(=O)(=O)O	MAS	dimethylsulfamic acid
+CC(C)N[C@H]1CO[C@H](C[C@@H]1OC)O	MAT	2,4-dideoxy-3-o-methyl-4-(propan-2-ylamino)-alpha-l-threo-pentopyranose
+CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O	MAU	n-methyl kirromycin
+[C@@H]1([C@@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O	MAV	alpha-d-mannopyranuronic acid
+C1=C(O[C@H]([C@H]([C@H]1O)O)O)C(=O)O	MAW	4-deoxy-alpha-l-erythro-hex-4-enopyranuronic acid
+COc1cc(ccc1O)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O	MAX	matairesinol
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC[P@](=O)(OC)F	MAY	methyl arachidonyl fluorophosphonate
+c1cc(cc(c1)N)COC=O	MAZ	formic acid 3-amino-benzyl ester
+Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C	MB0	(4r)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
+c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N)Cl	MB1	2-chloro-5-nitrobenzenesulfonamide
+c1cc(ccc1F)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N	MB2	5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
+CN1CCCC1=O	MB3	1-methylpyrrolidin-2-one
+Cc1ccccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N	MB4	5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
+CC1(c2c(c3ccc(cc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	MB5	(5as,12as,13as)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+c1cc(ccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N)Cl	MB6	5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
+Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N	MB7	5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
+C/C=C(/C)\C(=O)O	MB8	(2z)-2-methylbut-2-enoic acid
+Cn1c2cc(ccc2c3c1C(=O)NC4([C@@H]3C#N)CCNCC4)Cl	MB9	(4r)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
+CC[C@H](C)CN	MBA	2-methylbutylamine
+Cc1cc(ccc1c2[nH]c3ccc(cc3n2)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C)N(C)C	MBB	2'-(3-methyl-4-dimethylaminophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+[H]/N=C(\c1ccc(cc1)c2ccc(o2)c3[nH]c4ccc(cc4n3)/C(=N\[H])/N)/N	MBC	2-(5-{4-[amino(imino)methyl]phenyl}-2-furyl)-1h-benzimidazole-5-carboximidamide
+Cc1cccc(c1O)O	MBD	3-methylcatechol
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	MBE	4-nitrophenyl beta-d-mannopyranoside
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)F)O)O)O	MBF	2-deoxy-2-fluoro-beta-d-mannopyranose
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	MBG	methyl beta-d-galactopyranoside
+C[N@@+](Cc1ccccc1)(CC(=O)O)N	MBH	(1r)-1-benzyl-1-(carboxymethyl)-1-methyldiazanium
+CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)NCCCCN)S(=O)(=O)c3ccccc3	MBK	~{n}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide
+CCCCCn1cc(nc1N)c2ccccc2	MBL	1-pentyl-4-phenyl-imidazol-2-amine
+Cc1cc2cc(ccc2o1)/N=C(\N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)/NC(=O)c5cccnc5	MBM	n-{n'-(2-methyl-1-benzofuran-5-yl)-n-[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide
+Cc1ccccc1	MBN	toluene
+c1cc(ccc1C(=O)O)[Hg]	MBO	mercuribenzoic acid
+CC(C)C(=O)COc1c2c(nc[nH]2)nc(n1)N	MBP	1-[(2-amino-6,9-dihydro-1h-purin-6-yl)oxy]-3-methyl-2-butanol
+Cc1ccc(cc1)OC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N	MBQ	2-hydroxy-5-({1-[(4-methylphenoxy)methyl]-3-oxoprop-1-enyl}amino)-l-tyrosine
+C(Br)(Br)Br	MBR	tribromomethane
+COCC#CC[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC	MBS	r-2-{[4'-methoxy-(1,1'-biphenyl)-4-yl]-sulfonyl}-amino-6-methoxy-hex-4-ynoic acid
+CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C	MBT	3,7-bis(dimethylamino)phenothiazin-5-ium
+CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)CC)CCC(=O)O)C)C)CCC(=O)O)C	MBV	mesobiliverdin iv alpha
+Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CCOCC5	MBW	7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
+C[C@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C=C)C#N)CC(OC3)(C)C	MBX	~{n}-[4-[2-[[5-cyano-8-[(2~{s},6~{s})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide
+c1c(c2c(s1)c(ncn2)O)CN3C[C@@H]([C@@H]([C@H]3CO)O)O	MBY	(2r,3r,4s)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol
+Cc1cccc2c1ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	MBZ	1-[2-deoxyribofuranosyl]-4-methyl-benzoimidazole-5'-monophosphate
+CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H]([C@@H]3O)N)COC(=O)N)N	MC	1,2-cis-1-hydroxy-2,7-diamino-mitosene
+C[C@@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MC0	(s)-methylmalonyl-coenzyme a
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H](C(=O)[O-])N)NC(=O)c2c(cccc2OC)OC)C(=O)[O-])C	MC1	methicillin acyl-serine
+[H]/N=C(\N)/NCCC[C@@H](C(=O)Nc1ccc2ccccc2c1)NC(=O)[C@H](Cc3ccccc3)N	MC2	n2-(l-phenylalanyl)-n1-(naphthalenyl)-l-arigninamide
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	MC3	1,2-dimyristoyl-rac-glycero-3-phosphocholine
+C/C(=C(\[O-])/SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)C	MC4	2-methylacetoacetyl coa
+c1ccc(c(c1)COc2ccc3cc(ccc3c2)C[C@H]4C(=O)NC(=O)S4)F	MC5	(5s)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](C/N=C\2/N[S@@](OO2)(N3C(=O)N(C(=N3)c4cc(c(cn4)O)O)C[C@H](CO)O)O)C=O	MC8	2-({[(1z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(1s)-2-{[(3r,5z)-3-{4-[(2r)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}-3-hydroxy-1,2,3lambda~4~,4-dioxathiazolidin-5-ylidene]amino}-1-formylethyl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid
+C[C@H](\C=C\[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C	MC9	calcipotriol
+C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MCA	methylmalonyl-coenzyme a
+CC=O	MCB	methylene carbonyl group
+C[C@@H](C(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O	MCD	methylmalonyl(carbadethia)-coenzyme a
+CCCl	MCE	chloroethyl group
+CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=CNC[C@H]3O)O)O	MCF	(8r)-3-(5-s-methyl-5-thio-beta-d-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
+C[C@](c1ccc(cc1)C(=O)O)(C(=O)O)N	MCG	(s)-(alpha)-methyl-4-carboxyphenylglycine
+C(Cl)(Cl)Cl	MCH	trichloromethane
+c1ccc(cc1)CC[C@H](CS)C(=O)N=C(c2ccc(s2)Cn3cnnn3)C(=O)O	MCI	(2-mercaptomethyl-4-phenyl-butyrylimino)-(5-tetrazol-1-ylmethyl-thiophen-2-yl)-acetic acid
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)OC[C@H](C(=O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O	MCJ	n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2s)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({n-[(2,3-dihydroxyphenyl)carbonyl]-l-seryl}oxy)propanoyl]-d-serine
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@H](CO)N)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O	MCK	n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2s)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(l-seryloxy)propanoyl]-l-serine
+C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	MCL	nz-(1-carboxyethyl)-lysine
+CC1=CC(=O)Oc2c1ccc(c2)N	MCM	7-amino-4-methyl-chromen-2-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O	MCN	pterin cytosine dinucleotide
+C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O	MCO	1-(3-mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic acid
+C[C@@H]1CCN[C@H](C1)C(=O)O	MCP	2-carboxy-4-methylpiperidine
+CSCCC(C1=NC(C(=O)N1CC(=O)O)[C@H](c2ccc(cc2)O)SCCO)N	MCQ	{(4s)-2-[(1r)-1-amino-3-(methylsulfanyl)propyl]-4-[(s)-[(2-hydroxyethyl)sulfanyl](4-hydroxyphenyl)methyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C(C(=O)O)S	MCR	sulfanylacetic acid
+C([C@@H](C(=O)O)N)SC(=O)CC(=O)O	MCS	malonyl cysteine
+Cc1ccc(c(c1)O)O	MCT	4-methylcatechol
+CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)OC)O)O)O	MCU	methyl 4-o-methyl-beta-d-glucopyranuronate
+COc1ccc(c(c1)CCc2csc3c2c(nc(n3)N)N)OC	MCV	5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
+COC1=CC(=O)C=CC1=O	MCW	2-methoxycyclohexa-2,5-diene-1,4-dione
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)C)C(=O)N[C@@H](CC4CCC4)[C@H](C(=O)N)O)C	MCX	(1r,2s,5s)-n-[(2s,3r)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-n-[(1-methylcyclohexyl)c arbamoyl]-l-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O	MCY	5-methyl-2'-deoxycytidine
+C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OCCC(C)(C)O	MCZ	(1s,3r,5z,7e,14beta,17alpha,20s)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol
+C[C@H](CCN)[C@H](C(=O)O)N	MD0	5-amino-d-isoleucine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C(\[C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N	MD1	phosphoric acid 4-(2-amino-4-oxo-3,4,5,6,-tetrahydro-pteridin-6-yl)-2-hydroxy-3,4-dimercapto-but-3-en-yl ester guanylate ester
+C=C=CCNCCCCNCC=C=C	MD2	n,n'-bis(2,3-butadienyl)-1,4-butane-diamine
+c1ccc2cc(ccc2c1)CSC[C@@H](C(=O)O)NC(=O)C(=O)O	MD3	n-(carboxycarbonyl)-s-(naphthalen-2-ylmethyl)-l-cysteine
+C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)c4ccncc4)C	MD4	(3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1h-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane
+c1cc(cc(c1)[N+](=O)[O-])CSC[C@@H](C(=O)O)NC(=O)C(=O)O	MD5	n-(carboxycarbonyl)-s-(3-nitrobenzyl)-l-cysteine
+c1cc(c(nc1)C(=O)NCC(=O)O)O	MD6	n-[(3-hydroxypyridin-2-yl)carbonyl]glycine
+c1ccc(cc1)c2ccc(cc2)NC(=O)/C(=C(/C3CC3)\O)/C#N	MD7	(2z)-n-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)O)N	MD8	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mg]36[N]7=C(C=C8N6C(=C5)C(=C8)C)C(=CC7=C2)C)C)CCC(=O)O	MD9	magnesium deuteroporphyrin ix
+C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O	MDA	2,6-dideoxy-3-c-methyl-beta-d-ribo-hexopyranose
+CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2ccccc2OC	MDB	(s)-n-(cyclopentylmethyl)-n-(2-(hydroxyamino)-2-oxoethyl)-2-(3-(2-methoxyphenyl)ureido)-3,3-dimethylbutanamide
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)NC=CN3C(=O)CCC3=O	MDC	n-[2-(1-maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide
+C(C=O)C=O	MDD	malonaldehyde
+CCCCC[C@@H](C\C=C\C(=O)SCCNC(=O)CCNC(C(=O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]2c[nH]c3c2ncnc3N)O)OP(=O)(O)O)O)SCC=O	MDE	5-mercaptoethanol-2-decenoyl-coenzyme a
+COC(=O)[C@H](c1cc(cc(c1)O)O)N	MDF	meta, meta'-di-hydroxy-phenylalanine
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O	MDG	7n-methyl-8-hydroguanosine-5'-diphosphate
+C\C=C(\C(=O)O)/NC	MDH	n-methyldehydrobutyrine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=C(C2=O)CO)N)COP(=O)(O)O)O	MDJ	4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1h)-one
+CC1=C(C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N	MDK	4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3-methylpyridin-2(1h)-one
+CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)C(C(F)(F)F)(F)F	MDL	[dehydroxy-n-methyl-tyrosyl-prolinyl]-[4,4,5,5,5-pentafluoro-3-oxy-1-[3-indolyl]-pent-2-yl]amine
+C(P(=O)(O)O)P(=O)(O)O	MDN	methylenediphosphonic acid
+C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N	MDO	{2-[(1s)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N(C)C(=O)O	MDP	n-carboxyl-n-methyl-beta-muramic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=[N+](C2=O)C[O-])N)COP(=O)(O)O)O	MDQ	2'-deoxy-3-(oxidomethyl)cytidine 5'-(dihydrogen phosphate)
+Cc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O	MDR	9-(2-deoxy-beta-d-ribofuranosyl)-6-methylpurine
+CSCC[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)O)N	MDS	n-[methionyl]-n'-[adenosyl]-diaminosulfone
+CC1=CN(C(=O)N(C1=O)CO)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MDU	3-(hydroxymethyl)thymidine 5'-(dihydrogen phosphate)
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CN4C2=N[C@H]([C@@H]4O)O	MDV	(7s,8s)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7,8-dihydro-3h-imidazo[2,1-i]purine-7,8-diol
+COc1ccc(cc1)S(=O)(=O)[N@]2CCc3cc(c(cc3[C@@H]2C(=O)NO)OC)O	MDW	(1r)-n,6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
+C(CCCCCS)CCCCC(=O)O	MDX	11-mercaptoundecanoic acid
+C/C(=C(\C#N)/C(=O)Nc1ccc(cc1Cl)c2ccccc2OC)/O	MDY	(2z)-n-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide
+CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N	MDZ	n~6~-methyl-6-oxo-l-lysine - 2-[(3-mercaptobutanoyl)oxy]-3-methylbutanoic acid
+C(CSCO)[C@@H](C(=O)O)N	ME0	hydroxy-l-methionine
+c1cc(ccc1C(=O)NCCNC(=O)c2ccc(s2)Cl)N3C=CC=CC3=O	ME1	5-chloro-n-(2-(4-(2-oxopyridin-1(2h)-yl)benzamido)ethyl)thiophene-2-carboxamide
+CCOCCOCCOC	ME2	1-ethoxy-2-(2-methoxyethoxy)ethane
+CCOC(=O)C12[C@@H]3[Ru]1456([C@@H]3[C@H]4[C@H]52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)NC2=O)C=CC=[N]61)O)[CH]#O	ME3	ruthenium-pyridocarbazole-3
+c1cc(ccc1C(=O)N[C@H]2CCCC[C@H]2NC(=O)c3ccc4c(c3)[nH]cc4Cl)N5C=CC=CC5=O	ME4	3-chloro-n-((1r,2s) -2-(4-(2-oxopyridin-1(2h)-yl)benzamido)cyclohexyl)-1h-indole-6-carboxamide
+c1cc(ccc1C(=O)N[C@H]2CCC[C@H]2NC(=O)c3ccc(s3)Cl)N4C=CC=CC4=O	ME5	5-chloro-n-((1r,2s)-2-(4-(2-oxopyridin-1(2h)-yl)benzamido) cyclopentyl)thiophene-2-carboxamide
+C[N+]1=C(C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N	ME6	[(2r,3s,5r)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
+C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O	ME7	1,1'-ethane-1,2-diylbis(1h-pyrrole-2,5-dione)
+CSCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	ME8	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-azanyl-4-methylsulfanyl-butanoate
+C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O	ME9	1,1'-butane-1,4-diylbis(1h-pyrrole-2,5-dione)
+CN[C@@H](Cc1ccccc1)C(=O)O	MEA	n-methylphenylalanine
+CC(=C)C	MEB	2-methylprop-1-ene
+CCNC(=O)OC	MEC	ethyl-carbamic acid methyl ester
+CSCC[C@H](C(=O)O)N	MED	d-methionine
+CS	MEE	methanethiol
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2)C(=O)NC(=N4)N	MEF	n-({4-[(6ar)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9h)-yl]phenyl}carbonyl)-l-glutamic acid
+C[C@@H](CC(=O)O)[C@@H](C(=O)O)N	MEG	(2s,3s)-2-azanyl-3-methyl-pentanedioic acid
+C[C@@H](CCCC(C)(C)OC)C\C=C\C(=C\C(=O)O)\C	MEI	(2e,4e)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid
+C[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	MEJ	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-phenylethyl]propanamide
+c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)COCCO)C(=O)NOCCO	MEK	3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide
+c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)N	MEL	[((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid
+C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O	MEM	(4r,5s,6s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
+CNC(=O)C[C@@H](C(=O)O)N	MEN	n-methyl asparagine
+O.O	MEO	oxygens bound to met sd
+C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O	MEP	phosphoric acid mono-[4-methoxy-3-methyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester
+CNC(=O)CC[C@@H](C(=O)O)N	MEQ	n5-methylglutamine
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O	MER	(4r,5s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1h-pyrrole-2-carboxylic acid
+C1COCC[NH+]1CCS(=O)(=O)[O-]	MES	2-(n-morpholino)-ethanesulfonic acid
+CSCC[C@@H](C(=O)O)N	MET	methionine
+CSCC[C@@H](C(=O)[O-])[NH-]	MET_LEO2	l-methionine c-terminal deprotonated fragment
+CSCC[C@@H](C(=O)O)[NH-]	MET_LEO2H	l-methionine c-terminal protonated fragment
+CSCC[C@@H](C(=O)O)N	MET_LFOH	l-methionine free neutral
+CSCC[C@@H](C(=O)[O-])[NH3+]	MET_LFZW	l-methionine free zwitterion
+CSCC[C@@H]([C-]=O)[NH-]	MET_LL	l-methionine - linking embedded fragment
+CSCC[C@@H]([C-]=O)[NH3+]	MET_LSN3	l-methionine n-terminal protonated fragment
+COC(=O)CN	MEU	o-methyl-glycine
+C[C@@](CCO)(CC(=O)[O-])O	MEV	(r)-mevalonate
+CC1=Nc2ccccc2C(=O)N1	MEW	2-methylquinazolin-4(3h)-one
+c1ccc2c(c1)NC(=O)N2c3ccc(cc3O)O	MEX	1-(2,4-dihydroxyphenyl)-1,3-dihydro-2h-benzimidazol-2-one
+c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl	MEY	n-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide
+C/C(=C\C(=O)O)/C(=O)O	MEZ	(2e)-2-methylbut-2-enedioic acid
+CCCCCCCCCCCCCCCCCCO[C@H](c1cccc2c1cccc2)P(=O)(O)O	MF1	[(s)-(naphthalen-1-yl)(octadecyloxy)methyl]phosphonic acid
+C[C@@H]1CN(C[C@@H](O1)C)CCCCCCCCNC=O	MF2	cis-2,6-dimethylmorpholinooctylcarbamyleseroline
+C(CSC(F)(F)F)[C@@H](C(=O)O)N	MF3	2-amino-4-trifluoromethylsulfanyl-butyric acid
+F[Mg-2](F)(F)F	MF4	tetrafluoromagnesate(2-)
+C[n+]1ccccc1/C=N/OCc2c(c(c(c(c2F)F)F)F)F	MF5	1-(1-methylpyridin-1-ium-2-yl)-n-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine
+CN(C=O)c1c(nc(nc1O)N)N[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MF7	n-{2-amino-5-[formyl(methyl)amino]-6-hydroxypyrimidin-4-yl}-2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosylamine
+[H]/N=C(/N)\N/C(=N\[H])/N(C)C	MF8	metformin
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O	MFA	alpha-l-1-methyl-fucose
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O	MFB	methyl beta-l-fucopyranoside
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)F)O)/C(=O)N1CC(=O)O)N)O	MFC	5-[1-(3-fluoro-4-hydroxy-phenyl)-meth-(z)-ylidene]-3,5-dihydro-imidazol-4-one
+C[C@H](\C=C(/C)\C=C\[C@@H]([C@H](C)C(=O)O)N)[C@@H](Cc1ccccc1)OC	MFD	(2s,3s,8s,9s)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
+c1ccc2c(c1)c(ncn2)NCc3ccc(cc3)Cl	MFE	~{n}-[(4-chlorophenyl)methyl]quinazolin-4-amine
+[H]/N=C/C(=C)CCc1ccc(cc1)F	MFG	(1z)-4-(4-fluorophenyl)-2-methylidenebutan-1-imine
+c1cc(ccc1C[C@@H](CNC(=O)O)N)O	MFH	[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid
+CCC/C=C\CC/C=C\C=C\CO[C@@H](c1cccc2c1cccc2)P(=O)(O)O	MFJ	[(r)-{[(2e,4z,8z)-dodeca-2,4,8-trien-1-yl]oxy}(naphthalen-1-yl)methyl]phosphonic acid
+CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MFK	decanoyl-coa
+c1cc(ccc1c2ccc(o2)/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O)Cl	MFM	(e)-3-(5((5-(4-chlorophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
+c1cc(ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O	MFN	n-[4,5,7-tricarboxyheptanoyl]-l-gamma-glutamyl-n-{2-[4-({5-[(formylamino)methyl]-3-furyl}methoxy)phenyl]ethyl}-d-glutamine
+CC(=O)N(c1ccc2ccccc2c1)c3nc4c(n3[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)NC(=NC4=O)N	MFO	[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O	MFP	((2-bromo-4-methylphenyl){6-[(4-{[(2r)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile
+Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@H](CN(C)C)O	MFQ	((2-bromo-4-methylphenyl){6-[(4-{[(2s)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile
+COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N	MFR	4-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
+CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MFT	3-methylthymidine 5'-(dihydrogen phosphate)
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O	MFU	methyl alpha-l-fucopyranoside
+Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H]([C@@H](C)O)N)CC(=O)O	MFV	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C1CCC(=O)C1	MFW	cyclopentanone
+COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O	MFX	1-cyclopropyl-6-fluoro-8-methoxy-7-[(4as,7as)-octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(ccc1CNCCS(=O)(=O)O)Cl	MFY	2-[(4-chlorobenzyl)amino]ethanesulfonic acid
+c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl	MFZ	3-(4,7-dichloro-1h-indol-3-yl)prop-2-yn-1-ol
+[Mg+2]	MG	magnesium ion
+c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)N2CCN(CC2)S(=O)(=O)c3ccc(nc3)N	MG0	2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
+CN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C1N	MG1	2'-deoxy-1-methylguanosine 5'-(dihydrogen phosphate)
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2)S(=O)(=O)c3ccccc3C(F)(F)F	MG2	(2s,4r)-n-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide
+CCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N	MG5	2,3,4-tri-o-propanoyl-6-o-sulfamoyl-beta-d-glucopyranose
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	MG7	7-methylguanosine
+CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O	MG8	n-octanoyl-n-methylglucamine
+CC#C[C@H]1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N	MG9	2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol 
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	MGA	beta-methyl-d-galactoside
+[H]/N=C(\N)/N/N=C/C(=NNC(=N)N)C	MGB	methylglyoxal bis-(guanylhydrazone)
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)O	MGC	methyl 2-acetamido-2-deoxy-alpha-d-galactopyranoside
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N	MGD	2-amino-5,6-dimercapto-7-methyl-3,7,8a,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide
+CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)COC(=O)CCCCCCCCCCCC	MGE	(1s)-2-(alpha-l-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl palmitate
+F[Mg-](F)F	MGF	trifluoromagnesate
+C(C[C@H](C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2+])N	MGG	2-(2-carboxy-acetylamino)-5-guanidino-pentanoic acid
+COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CN(CC(=O)O)C(=O)CCc2ccccc2	MGH	methyl n-(carboxymethyl)-n-(3-phenylpropanoyl)glycyl-d-histidinate
+Cc1cc(c(c(c1)Oc2cc(c(c(c2)O)C(=O)OC)C)O)O	MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate
+CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[N@](CCCc2ccccc2)CC(=O)O	MGJ	n-(carboxymethyl)-n-(3-phenylpropyl)glycyl-n-methyl-l-histidinamide
+COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@](CCCc2ccccc2)CC(=O)O	MGK	methyl n-(carboxymethyl)-n-(3-phenylpropyl)glycyl-l-histidinate
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MGL	methyl beta-d-glucopyranoside
+CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C	MGM	2-[methyl-(5-geranyl-4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate
+C[C@](CCC(=O)N)(C(=O)O)N	MGN	2-methyl-glutamine
+C[n+]1cn(c2c1C(=O)NC(=C2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O	MGO	[[(2r,3s,4r,5r)-5-(6-amino-3-methyl-4-oxo-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O	MGP	7-methyl-guanosine-5'-triphosphate
+c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	MGQ	7-benzyl guanine monophosphate
+CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3	MGR	malachite green
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)OC)O)NC(=O)[C@@H](CCO)O	MGS	methyl 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-2-o-methyl-alpha-d-mannopyranoside
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O	MGT	7n-methyl-8-hydroguanosine-5'-triphosphate
+c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F	MGV	p-fluoro-7-benzyl guanine monophosphate
+COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@@](CCc2ccccc2)CC(=O)O	MGW	methyl n-(carboxymethyl)-n-(2-phenylethyl)glycyl-l-histidinate
+[H]/N=C(/N)\NC	MGX	1-methylguanidine
+CNCC(=O)O	MGY	n-methylglycine
+c1cc(cc(c1)O[C@H](c2ccc(cc2)Cl)C(=O)O)C(F)(F)F	MGZ	(2r)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
+CCC1=C(C2=CC3=[N]4C(=CC5=[N]6[Fe]47[N]2=C1C=C8[N]7=C(C=C6C(=C5CCC(=O)O)C)C(=C8C)CC)C(=C3C)CCC(=O)O)C	MH0	mesoheme
+Cn1cc(nc1)C[C@@H](C(=O)O)N	MH1	1-methyl-l-histidine
+O[Mn+2]	MH2	manganese ion, 1 hydroxyl coordinated
+O[Mn+3]	MH3	manganese ion, 1 hydroxyl coordinated
+Cc1cc(ccn1)CNC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)CC3	MH4	1-methyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-n-[(2-methylpyridin-4-yl)methyl]-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+Cc1ccc(s1)CNc2cccc(c2)C(=O)O	MH5	3-[(5-methylthiophen-2-yl)methylamino]benzoic acid
+[H]/N=C(\CO)/C(=O)O	MH6	3-hydroxy-2-iminopropanoic acid
+CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)N(C)CCCC	MH7	n-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-n-methylpyrimidine-5-carboxamide
+C[C@](CCCC=C)(C(=O)O)N	MH8	(2s)-2-amino-2-methylhept-6-enoic acid
+CCCCCCC/C=C/C=C/C(=O)O	MH9	(2e,4e)-dodeca-2,4-dienoic acid
+C(C(=O)N)N(CC(=O)O)CC(=O)O	MHA	(carbamoylmethyl-carboxymethyl-amino)-acetic acid
+Cc1cc(ccc1O)/N=N/c2ccccc2C(=O)O	MHB	2-((3'-methyl-4'-hydroxyphenyl)azo)benzoic acid
+c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)CCS	MHC	3-mercapto-1-(1,3,4,9-tetrahydro-b-carbolin-2-yl)-propan-1-one
+Cn1cc(c2c1cccc2)O	MHD	1-methyl-1h-indol-3-ol
+CC(C)(C)CCC(=O)C(=O)O	MHE	5,5-dimethyl-2-oxohexanoic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N	MHF	5,10-methenyl-6,7,8-trihydrofolic acid
+CC[C@H](C)CCN1CN(C2=C1C(=O)NC(=N2)NC)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	MHG	2-methyl, 7-(3-methyl-pentane), guanosine-5'-monophosphate
+CCCCCC[P@@](=O)(O)OC	MHH	methyl hydrogen (r)-hexylphosphonate
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)N	MHI	l-ala-gamma-d-glu-meso-diaminopimelic acid
+c1ccc2c(c1)cccc2S(=O)(=O)N	MHK	naphthalene-1-sulfonamide
+CC(C)(C[C@@H](C(=O)O)NC)O	MHL	n-methyl-4-hydroxy-leucine
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C	MHM	[7,12-diethyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-diporpanoto-(2)-n21,n22,n23,n24,]iron
+CC(C)CCCCCO	MHN	6-methylheptan-1-ol
+C[S@](=O)CC[C@@H](C(=O)O)N	MHO	s-oxymethionine
+C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	MHQ	desmosterol
+CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N	MHR	4-(4-propoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
+Cn1cncc1C[C@@H](C(=O)O)N	MHS	n1-methylated histidine
+CS[C@@H]1CN2CCC1CC2	MHT	(3s)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane
+CN[C@@H](Cc1ccc(cc1)N(C)C)C(=O)O	MHU	4-n,n-(dimethylamino)-l-phenylalanine
+C1CN[C@@H](CC1=O)C(=O)O	MHV	4-oxo-l-pipecolic acid
+c1cc(c(nc1)C(=O)O)O	MHW	3-hydroxypicolinic acid
+C[C@H]([C@@H](C1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(=O)O)N)O	MHY	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C[N@@](CCCNN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	MHZ	5'-deoxy-5'-[(3-hydrazinopropyl)methylamino]adenosine
+CNC(=O)C([C@@H]([C@H](CC1CCCCC1)N)O)(F)F	MI0	(3r,4s)-4-azanyl-5-cyclohexyl-2,2-difluoro-3-hydroxy-n-methyl-pentanamide
+C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N	MI1	3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile
+[H]/N=C(\c1ccc2c(c1)cc([nH]2)c3ccccc3C)/N	MI2	2-(2-methylphenyl)-1h-indole-5-carboximidamide
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=CNC4=O)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O	MI3	3'-o-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate)
+C[C@@H](\C=C\C[C@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	MI4	(1r,3r,7e,17beta)-17-{(1s,2e,5r)-5-hydroxy-1-methyl-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+Cc1cc(sn1)Nc2cc(nc3n2ncc3c4cnn(c4)C)[C@@H]5CCCNC5	MI5	n-(3-methylisothiazol-5-yl)-3-(1-methyl-1h-pyrazol-4-yl)-5-[(3r)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
+CC(C)(C)C[C@@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@@H]([C@@H](N1)C(=O)NCCN4CCOCC4)c5cccc(c5F)Cl	MI6	(2'r,3r,4'r,5'r)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-n-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
+CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Mo]36(=O)[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C	MI9	oxomolybdenum mesoporphyrin ix
+CC(=CCNc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C	MIA	2-methylthio-n6-isopentenyl-adenosine-5'-monophosphate
+CC(=O)\C=C\c1cn(c2c1cccc2)C	MIB	(3e)-4-(1-methyl-1h-indol-3-yl)but-3-en-2-one
+C[C@@]([C@H](CC(=O)O)C(=O)O)(C(=O)O)O	MIC	alpha-methylisocitric acid
+[H]/N=C(/c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)\N	MID	1-[n-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-d-phenylalanyl]piperidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=N)S2)O)O)O)O	MIF	(5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one
+C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O	MIG	(2r,3r,4r,5s)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
+c1cc(c(c(c1)Cl)c2c3c(cc[n+]2[O-])c(cc(n3)C4CCNCC4)c5ccc(cc5F)F)Cl	MIH	8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)c3c(cccc3OC)OC)C(=O)O)C	MII	methicillin
+c1cnccc1/C(=N/CCCC[C@@H](C(=O)O)N)/N	MIK	methyl isonicotinimidate lysine
+CC1=C(C=C(C(=O)N1)C#N)c2ccncc2	MIL	milrinone
+Cc1nccn1CCCCc2ccc(cc2)CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3	MIM	[cyclohexylethyl]-[[[[4-[2-methyl-1-imidazolyl-butyl]phenyl]acetyl]-seryl]-lysinyl]-amine
+CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N	MIN	methyl-phe-pro-amino-cyclohexylglycine
+Cc1cc(on1)N	MIO	3-methyl-1,2-oxazol-5-amine
+CC(C)OP(=O)(O)O	MIP	monoisopropyl ester phosphonic acid
+CCO[P@](=O)(O)OC[C@@H](C(=O)O)N	MIR	monoethylphosphorylserine
+CC(C)O[P@](=O)(O)OC[C@@H](C(=O)O)N	MIS	monoisopropylphosphorylserine
+C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=[NH2+])N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)C	MIT	amino{[(4s)-5-[(2r,4r)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3r)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium
+c1cc(cc(c1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)CCCN)C(F)(F)F	MIU	n-{(1s)-1-{[4-(3-aminopropyl)piperazin-1-yl]carbonyl}-4-[(diaminomethylene)amino]butyl}-3-(trifluoromethyl)benzenesulfonamide
+CC[C@@H]1[C@H](\C=C\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](\C=C\C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC	MIV	mycinamicin iv
+c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO	MIX	1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-anthracenedione
+CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O	MIY	(4s,4as,5ar,12as)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2- carboxamide
+Cc1cc([n+](c(c1)C)CCc2c[nH]cn2)C	MIZ	1-[2-(1h-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2F)F)O)/C(=O)N1CC(=O)O)N)O	MJ1	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+Cc1cc(cc(c1)S(=O)(=O)N)C	MJ2	3,5-dimethylbenzenesulfonamide
+Cc1ccc(s1)CNC[C@@H](C)O	MJ4	(2r)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
+Cc1ccc(c(c1)O)Oc2ccccc2	MJ5	5-methyl-2-phenoxyphenol
+c1cc(cc(c1)c2ccc(cc2)Cl)CNCCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	MJ7	5'-s-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@H](CN)CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	MJ8	5'-({[(2r)-3-amino-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine
+C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)O)O)O)O	MJA	(3r,5r)-3,5-dihydroxy-7-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
+C1CN(CCN1)CCO	MJB	2-piperazin-1-ylethanol
+C[C@H](CCC=C(C)CCC=C(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MJC	dolichyl phosphate mannose
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C	MJD	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+Cc1cc2c(s1)c(nn2C(=O)c3c(cccc3Cl)Cl)c4ccc(cc4)C(=O)O	MJE	4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid
+c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)Cl)C(C(=O)O)C(=O)O	MJF	[(1r)-3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioic acid
+Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CN[C@@H](C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	MJG	n-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(1s)-1,2,2-trimethylpropyl]amino}methyl)benzamide
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCc3c[nH]cn3)N	MJH	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide
+CCCCCCCCCCCCCCCCOC[C@H](COCC(F)(F)F)O[P@](=O)(O)OC	MJI	1-hexadecyl-3-trifluoroethyl-sn-glycero-2-phosphate methane
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)O	MJJ	methyl 9-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(s3)Br)N	MJK	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
+CC1=C(C(=O)C2CCCCC2=N1)c3ccc(cc3)Oc4ccccc4	MJM	(4as)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4ah)-one
+c1cc(ccc1NC(=O)CN)Oc2ccc3c(c2)c(c[nH]3)C#N	MJP	2-azanyl-n-[4-[(3-cyano-1h-indol-5-yl)oxy]phenyl]ethanamide
+Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C	MJQ	n-(3-azanylpropyl)-n-[(1r)-1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]-2-methyl-propyl]-4-methyl-benzamide
+B([C@H](CCCC[NH3+])N)(O)OC	MJS	(5r)-5-amino-5-[hydroxy(methoxy)boranyl]pentan-1-aminium
+c1ccc2c(c1)cc3ccccc3c2S(=O)(=O)N	MJT	anthracene-9-sulfonamide
+c1ccc2c(c1)c3c([nH]2)nc(nc3N4CC[C@@H](C4)N)Sc5cc6c(nccn6)nc5	MJU	(3s)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9h-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine
+c1cc(ccc1C(=O)NCCN2CCC(CC2)N3c4ccc(cc4NC3=O)Cl)F	MJV	n-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide
+c1ccc(cc1)COc2ccccc2N	MJW	2-phenylmethoxyaniline
+C[C@@H](CN1CCC2(CC1)C(=O)NCN2c3cccc(c3)F)NC(=O)c4ccc(cc4)Br	MJY	4-bromo-n-{(2s)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N	MJZ	(2s,3s,4r,5r,6r)-5-(acetylamino)-4-amino-6-{[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2h-pyran-2-carboxylic acid
+CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCO[P@](=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MK0	1-o-[(s)-hydroxy{[(4s,8s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-d-mannopyranose
+CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5	MK1	n-[2(r)-hydroxy-1(s)-indanyl]-5-[(2(s)-tertiary butylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4(s)-hydroxy-2(r)-phenylmethylpentanamide
+c1ccc2c(c1)cc(o2)c3cc(cc4c3[nH]nc4)Nc5ccnc(n5)N	MK2	n~4~-[7-(1-benzofuran-2-yl)-1h-indazol-5-yl]pyrimidine-2,4-diamine
+C=NC(=O)c1cc2ccc(cc2s1)c3cc(ccc3O)Nc4ccnc(n4)N	MK3	6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-n-methylidene-1-benzothiophene-2-carboxamide
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2Br)Br)Br	MK4	{5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)O)S(=O)(=O)c2ccc(cc2)OC	MK5	2-[(dichloroacetyl)amino]ethyl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
+Cc1cc(cc(c1c2cccc(c2)COc3cc4c(cn3)[C@H]5[C@@H](C4)[C@@H]5C(=O)O)C)OCCCS(=O)(=O)C	MK6	(5ar,6s,6as)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2	MK7	(2s,5r)-1-formyl-n-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide
+CCCC[C@@](C)(C(=O)O)N	MK8	2-methyl-l-norleucine
+CCN(CC)CCCCNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)Cc4cccc(c4)NC(=O)C=C	MK9	n-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]methyl}phenyl)prop-2-enamide
+C[C@@H](CN1CCC(CC1)N2c3ccccc3NC2=O)NC(=O)c4ccc(cc4)F	MKA	4-fluoro-n-{(2s)-1-[4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
+c1cc2c(cc[nH]2)cc1C(=O)N3CCN(CC3)S(=O)(=O)c4ccc5c(c4)OC(=O)N5	MKB	6-[4-(1~{h}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{h}-1,3-benzoxazol-2-one
+CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2	MKC	6-benzyl-1-ethoxymethyl-5-isopropyl uracil
+CCCCCC[C@@](C)(C(=O)O)N	MKD	(2s)-2-amino-2-methyloctanoic acid
+CC(=O)[C@H](CCC(=O)O)N	MKE	(4s)-4-amino-5-oxohexanoic acid
+C[C@@H](CN1CCC2(CC1)[C@@H](CNC(=O)O2)c3cccc(c3)F)NC(=O)c4ccc(cc4)F	MKG	4-fluoro-n-{(2s)-1-[(5r)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide
+c1ccc(cc1)C(c2ccccc2)([C@H]3CCCN3S(=O)(=O)CCCN4C=CC(=O)NC4=O)O	MKH	1-[3-({(2r)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1h,3h)-dione
+Cc1ccc(c(c1)N2C[C@@](C(=N2)C(=O)C)(CCCN3CCN(CC3)C(=O)C)c4ccccc4)F	MKK	1-[(4r)-4-[3-(4-acetylpiperazin-1-yl)propyl]-1-(2-fluoro-5-methylphenyl)-4-phenyl-4,5-dihydro-1h-pyrazol-3-yl]ethanone
+CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C	MKM	3beta-(2-diethylaminoethoxy)androst-5-en-17-one
+c1cc(sc1)c2ccc(s2)c3cc[nH]n3	MKN	3-(5-thiophen-2-ylthiophen-2-yl)-1~{h}-pyrazole
+Cc1ccc(cc1c2cc3c(nc2)N(C(=O)N3)C(C)(C)C)C(=O)Nc4ccon4	MKP	3-(3-tert-butyl-2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)-4-methyl-n-(1,2-oxazol-3-yl)benzamide
+c1ccc(cc1)c2cc(cc(c2)S(=O)(=O)N)c3ccccc3	MKQ	3,5-diphenylbenzenesulfonamide
+CC(=O)C1=NN2c3cc(ccc3OC[C@H]2[C@@]1(CCCN4CCN(CC4)C(=O)C)c5ccccc5)F	MKR	1-{(3r,3ar)-3-[3-(4-acetylpiperazin-1-yl)propyl]-8-fluoro-3-phenyl-3a,4-dihydro-3h-pyrazolo[5,1-c][1,4]benzoxazin-2-yl}ethanone
+CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)OC)O)O2)O)C	MKS	1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one
+CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C	MKT	1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one
+CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)O)CCC(O4)(C)C)C	MKU	5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h,6h-pyrano[3,2-b]xanthen-6-one
+c1c(c(c([nH]1)Br)Br)Br	MKV	2,3,4-tribromo-1h-pyrrole
+CCC(=O)N1CCN2c3c4cc(c(cc4ncc3OC[C@H]2C1)c5c(ccc6c5c[nH]n6)C)Cl	MKW	1-[(7r)-16-chloro-15-(5-methyl-1h-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one
+[H]/N=C(\N)/N=C\1/N(c2ccc(cc2S1)O)CC(=O)OCC	MKY	ethyl [(2z)-2-(carbamimidoylimino)-6-hydroxy-1,3-benzothiazol-3(2h)-yl]acetate
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4c(ccc5c4cn[nH]5)C)Cl	MKZ	1-[4-[6-chloranyl-7-(5-methyl-1~{h}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
+c1cc(cc(c1)F)c2ccc(cc2)[C@H](C(F)(F)F)Oc3cc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N	ML0	4-{2-amino-6-[(1r)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-l-phenylalanine
+CC(=O)NCCc1c[nH]c2c1cc(cc2)OC	ML1	n-[2-(5-methoxy-1h-indol-3-yl)ethyl]acetamide
+CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC	ML2	n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]acetamide
+C[N+](C)(C)CCSC[C@@H](C(=O)O)N	ML3	2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}-n,n,n-trimethylethanaminium
+Cc1ccccc1c2ccccc2CNc3cnc(cn3)c4ccc(cc4)C[C@@H](C(=O)O)N	ML4	4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-l-phenylalanine
+CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N	ML5	{(3r)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl}phosphonic acid
+c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N	ML6	7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine
+c1ccc(cc1)c2cccc(c2)C(=O)NNS(=O)(=O)c3ccccc3	ML7	n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
+Cc1c2c(nc(n1)NC)N(C(=O)C(=C2)c3cccc(c3)CO)C4CCCC4	ML8	8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3ccc(nc3)OC)C4CCC(CC4)OCCO	ML9	2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+C(C(=O)O)C(=O)O	MLA	malonic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O	MLB	6-o-alpha-d-galactopyranosyl-alpha-d-glucopyranose
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O	MLC	malonyl-coenzyme a
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C	MLD	glcnac(beta1-4)-murnac(1,6-anhydro)-l-ala-gamma-d-glu-meso-a2pm-d-ala
+CC(C)C[C@@H](C(=O)O)NC	MLE	n-methylleucine
+C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C	MLG	n-[3-(2,4-dichlorophenoxy)propyl]-n-methyl-n-prop-2-ynylamine
+CCOC(=O)c1c2cc(c(cc2n(c1CN(C)C)c3ccccc3)Br)O	MLH	ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate
+C(C(=O)[O-])C(=O)[O-]	MLI	malonate ion
+c1ccc2c(c1)CCC[C@H]2NC(=O)CCNC(=O)c3ccc(cc3)OC(F)(F)F	MLJ	~{n}-[3-oxidanylidene-3-[[(1~{r})-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-4-(trifluoromethyloxy)benzamide
+CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C	MLK	methyllycaconitine
+CC(C)C[C@@H](C(=O)OC)N	MLL	methyl l-leucinate
+C(C(=O)N)C(=O)O	MLM	3-amino-3-oxopropanoic acid
+CCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(cc1)[N+](=O)[O-])OP(=O)(O)O	MLN	(s)-2-(phosphonoxy)caproyl-l-leucyl-p-nitroanilide
+C=CCc1ccc(c(c1)c2cc(ccc2O)CC=C)O	MLO	5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol
+C1CC1(N)[P@](=O)(O)[O-]	MLP	1-aminocyclopropylphosphonate
+CCCCCC[C@H](C(=O)O)Sc1nc2ccc(cc2s1)NS(=O)(=O)c3ccc(cc3Cl)Cl	MLQ	(2~{r})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	MLR	maltotriose
+Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2	MLS	2-fluoro-3-methyl-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
+C([C@H](C(=O)O)O)C(=O)O	MLT	d-malate
+CC(C)C[C@H](C(=O)O)NC	MLU	n-methyl-d-leucine
+c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3	MLV	2-fluoro-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
+c1cc2c3c([nH]c2c(c1)Cl)C=CC=CC3=O	MLW	4-chloranyl-5~{h}-cyclohepta[b]indol-10-one
+c1cc(ccc1N(CCCNC(=O)C(F)(F)F)C(=O)CCl)[N+](=O)[O-]	MLX	n-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide
+CN(C)CCCC[C@@H](C(=O)O)N	MLY	n-dimethyl-lysine
+CNCCCC[C@@H](C(=O)O)N	MLZ	n-methyl-lysine
+CCCNCc1ccc2c(c1)cc3ccc4c(c3n2)cc5cc(ccc5n4)CNCCC	MM0	n,n'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine
+C1C[N@@H]2CC[N@@H]3[Cu]24[N@@H](C1)CC[N@@H]4CCC3	MM1	1,4,8,11-tetraaza-cyclotetradecane cu(ii)
+c1cc(ccc1C[N@]23CCC[N@H]4[Cu@@]25[N@H](CCC[N@H]5CC3)CC4)C[N@@]67CCC[N@H]8[Cu]69[N@H](CCC[N@H]9CC7)CC8	MM2	1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraaza-cyclotetradecane]cu(ii)2
+CC1([C@H]([N@@](CCCS1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)C	MM3	n-hydroxy-4-[(4-methoxylphenyl)sulfonyl]-2,2-dimethyl-hexahydro-1,4-thiazepine-3(s)-carboxamide
+O=[Mo]=O	MM4	molybdenum (iv) oxide
+c1cc(ccc1C[N@]23CCCN4[Ni]25N(CCCN5CC3)CC4)C[N@]67CCC[N@@]8[Ni@@]69[N@](CCC[N@]9CC7)CC8	MM5	1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane]ni(ii)
+C1CN2CCN3[Ni]24N(C1)CCN4CCC3	MM6	nickel(ii)(1,4,8,11-tetraazacyclotetradecane)
+Cc1ccc(c(c1)OC)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MM7	(1r)-1,4-anhydro-2-deoxy-1-(2-methoxy-4-methylphenyl)-5-o-phosphono-d-erythro-pentitol
+Cc1c(cncc1c2ccc(c(c2)OC)C(=O)N)c3ccc(cc3)N4CCNCC4	MM8	2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)N(C)C)\N	MM9	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MMA	methyl alpha-d-mannopyranoside
+CCCO/N=C(\C)/[C@@H](Cc1ccc(cc1)OCc2c(oc(n2)c3ccccc3)C)C(=O)O	MMB	(2r,3e)-2-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyl}-3-(propoxyimino)butanoic acid
+C[Hg+]	MMC	methyl mercury ion
+CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(nc3)N)N4CCOCC4	MMD	5-(7-methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine
+CN[C@@H](CCSC)C(=O)O	MME	n-methyl methionine
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC)O	MMF	dtdp-3-n-methylamino-3,6-dideoxygalactose
+c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)C(=O)O	MMG	4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
+Cc1c(c([nH]n1)N/N=C/c2ccc(cc2)OC)C(=O)Nc3cccc(c3)NC(=O)C	MMH	n-[3-(acetylamino)phenyl]-5-{(2e)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1h-pyrazole-4-carboxamide
+CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)O)NC(=O)[C@@H]2CC(=O)NCCCCCCOC(=O)N[C@H](C(=O)N2)C(C)C	MMI	n-[(4s,5s,7r)-8-({(s)-1-[(benzylamino)oxomethyl]-2-methylpropyl}amino)-5-hydroxy-2,7-dimethyl-8-oxo-oct-4-yl]-(4s,7s)-4 -isopropyl-2,5,9-trioxo-1-oxa-3,6,10-triazacyclohexadecane-7-carboxamide
+Cc1c(sc(n1)c2ccccc2)CNC	MMJ	n-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
+CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O	MMK	2-{[(2-{[(e)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid
+Cc1ccc(cc1)C(C)C	MML	1-methyl-4-(1-methylethyl)benzene
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@](C)(CO)C(=O)O)O	MMM	(s,e)-3-hydroxy-2-((3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl)methyleneamino)-2-methylpropanoic acid
+CC(N[C@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O)O	MMN	5-deoxy-5-{[(1s)-1-hydroxyethyl]amino}-d-glucitol
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC	MMO	n~2~-methyl-l-arginine
+CCc1c(c2cc3nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c1n2C)/C(=C5CC)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C	MMP	n-methylmesoporphyrin
+C(P(=O)([O-])[O-])S	MMQ	mercaptomethyl phosphonate
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C	MMR	methyl 2-(acetylamino)-3-o-[(1r)-1-carboxyethyl]-2-deoxy-beta-d-glucopyranoside
+C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N	MMS	mimosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CON(C)C)O	MMT	5'-o-(dimethylamino)-thymidine
+CNC(=O)NC	MMU	1,3-dimethylurea
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O	MMV	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
+c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(F)(F)F	MMW	2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide
+c1cc(cnc1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5	MMY	5-(2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine
+CN1C=CNC1=S	MMZ	1-methyl-1,3-dihydro-2h-imidazole-2-thione
+[Mn+2]	MN	manganese (ii) ion
+CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O	MN0	methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+C1CNCCC1C(=O)O	MN1	4-carboxypiperidine
+c1cc(ccc1C[NH3+])CNCCC(=O)O	MN2	1-carboxyethylaminomethyl-4-aminomethylbenzene
+[Mn+3]	MN3	manganese (iii) ion
+[OH2][Mn+2]([OH2])([OH2])([OH2])[OH2]	MN5	manganese ion, 5 waters coordinated
+[OH2][Mn]([OH2])([OH2])([OH2])([OH2])[OH2]	MN6	manganese ion, 6 waters coordinated
+CC(C)CNCc1ccc(cc1)C(=O)O	MN7	1-carboxy-4-isobutylaminomethylbenzene
+CC(C)c1c(nc(s1)[C@@H]2Cc3ccccc3CN2)C(=O)O	MN8	2-(4-carcoxy-5-isopropylthiazolyl)benzopiperidine
+CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O	MN9	2-(acetylamino)-2-deoxy-d-mannose
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O	MNA	2-o-methyl-5-n-acetyl-alpha-d-neuraminic acid
+c1cc(c(cc1S)C(=O)O)[N+](=O)[O-]	MNB	5-mercapto-2-nitro-benzoic acid
+C[N+]#[C-]	MNC	methyl isocyanide
+CNC(=O)C[C@H](C(=O)O)N	MND	n-methyl-d-asparagine
+C[C@]1(Cc2cc3c(c(c2[C@@H](C1)OC)O)C(=O)c4c(cc5c(c4C3=O)O[C@H]6[C@H]([C@@H]([C@H]([C@@]5(O6)C)O)N(C)C)O)O)O	MNG	menogaril
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C	MNH	manganese protoporphyrin ix
+CN(C)c1ccc(cc1)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O	MNI	n-{[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl}-4-(dimethylamino)benzamide
+c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F	MNJ	4-fluoro-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
+CC1=C2C[C@H](CCC2=C(C(=O)C(=C1)O)O)C(=C)C	MNK	(2s)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6h-benzo[7]annulen-6-one
+CC[C@@H](C)C[C@@H](C(=O)O)NC	MNL	4,n-dimethylnorleucine
+C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO	MNM	(2s,3s,4r,5r)-2,3,4-trihydroxy-5-hydroxymethyl-piperidine
+c1ccc(cc1)[C@@H](C#N)O	MNN	(s)-mandelic acid nitrile
+CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)NS(=O)(=O)C)C=O)NC(=O)c2ccc3ccccc3c2	MNO	(3s)-n-methanesulfonyl-3-({1-[n-(2-naphtoyl)-l-valyl]-l-prolyl}amino)-4-oxobutanamide
+c1cc(cc(c1)[N+](=O)[O-])CC(=O)O	MNP	2-(3-nitrophenyl)acetic acid
+[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1cccc(c1)[N+](=O)[O-])(F)(F)F	MNQ	m-nitrophenyl aminoethyldiphosphate beryllium trifluoride
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C	MNR	protoporphyrin ix containing mn
+CN(C)c1cccc2c1cccc2S(=O)(=O)N	MNS	5-(dimethylamino)-1-naphthalenesulfonamide
+CNc1ccccc1C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N	MNT	2'(3')-o-n-methylanthraniloyl-adenosine-5'-diphosphate
+CNCC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	MNU	(2r,4s)-1-[(4r)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(methylamino)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-diol-5'-mon ophosphate
+CC(C)[C@@H](C(=O)N)NC	MNV	n-methyl-c-amino valine
+c1cc(c2c(c1)Oc3c(ccc(c3C2=O)O)[N+](=O)[O-])O	MNX	1,8-di-hydroxy-4-nitro-xanthen-9-one
+c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)N	MNY	5,8-di-amino-1,4-dihydroxy-anthraquinone
+C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCc3ccoc3)CCC=C2C(=O)O)C)O	MNZ	(4~{a}~{r},5~{s},6~{r},8~{s},8~{a}~{r})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid
+[Mo]	MO	molybdenum atom
+C(CC(=O)N)[C@@H](C(=O)O)NC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	MO0	mannopine
+[OH2][Mg+2]	MO1	magnesium ion, 1 water coordinated
+[OH2][Mg+2][OH2]	MO2	magnesium ion, 2 waters coordinated
+[OH2][Mg+2]([OH2])[OH2]	MO3	magnesium ion, 3 waters coordinated
+[OH2][Mg+2]([OH2])([OH2])[OH2]	MO4	magnesium ion, 4 waters coordinated
+[OH2][Mg+2]([OH2])([OH2])([OH2])[OH2]	MO5	magnesium ion, 5 waters coordinated
+[OH2][Mg+2]([OH2])([OH2])([OH2])([OH2])[OH2]	MO6	magnesium ion, 6 waters coordinated
+[O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[Mo]89(=O)(O7[Mo]612(O3)O4[Mo]3(=O)(O18[Mo](=O)(O3)(O9)(O2)[O-])(O5)[O-])[O-])[O-])[O-]	MO7	bis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybdenum (vi)
+Cc1c2c(nc(n1)N)CCSC2	MO8	4-methyl-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-2-amine
+c1ccc(c(c1)CS(=O)(=O)C[C@@H](C(=O)NCC#N)OC(=O)N2CCOCC2)OC(F)F	MO9	(1r)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate
+Cc1c2c(c(c(c1OC)C\C=C(/C)\CCC(=O)O)O)C(=O)OC2	MOA	mycophenolic acid
+COc1cc(cc(c1O)OC)N=Nc2ccccc2C(=O)O	MOB	2-((3',5'-dimethoxy-4'-hydroxyphenyl)azo)benzoic acid
+CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H](C3)N)COC(=O)N)N	MOC	carbamic acid 2,6-diamino-5-methyl-4,7-dioxo-2,3,4,7-tetrahydro-1h-3a-aza-cyclopenta[a]inden-8-ylmethyl ester
+CSCC[C@@H](CO[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=NC32)N)O)O)N	MOD	l-methionyl adenylate
+COCC[O-]	MOE	methoxy-ethoxyl
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C	MOF	mometasone furoate
+Cc1nc2c(o1)N=C(NC2=O)N	MOG	5-amino-2-methyl-6h-oxazolo[5,4-d]pyrimidin-7-one
+CO	MOH	methanol
+C[N@]1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O	MOI	(7r,7as,12bs)-3-methyl-2,3,4,4a,7,7a-hexahydro-1h-4,12-methano[1]benzofuro[3,2-e]isoquinoline-7,9-diol
+Cc1c\2c(nc(n1)N)C[C@@H](C/C2=N\O)c3ccc(cc3c4cccnc4)F	MOJ	(5e,7s)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6h)-one oxime
+Cc1c(c(no1)c2ccccc2)C(=O)O	MOK	5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N	MOL	3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one
+O[Mo](=O)=O	MOM	hydroxy(dioxo)molybdenum
+c1cc(ccc1CCNc2nc(nc(n2)SCCCc3ccc(cc3)Cl)N4CCNCC4)O	MON	4-(2-{[4-{[3-(4-chlorophenyl)propyl]sulfanyl}-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amino}ethyl)phenol
+[O-][Mo](=O)(=O)[O-]	MOO	molybdate ion
+CC(C)CCC=O	MOP	4-methylpentanal
+C1COCCN1C(=O)O	MOR	morpholine-4-carboxylic acid
+O=[Mo](=O)S	MOS	dioxothiomolybdenum(vi) ion
+C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	MOT	n-[4-[(2,4-diaminofuro[2,3d]pyrimidin-5-yl)methyl]methylamino]-benzoyl]-l-glutamate
+C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5[C@H]([C@@]6([C@@H]([C@H](O5)C)OC)O[C@H](C(=O)O6)CCCCCCCC(=O)O)O	MOU	(1s,4r,5r,9s,11s)-2-({[(2s,5r,6r,7r,9s,10r)-2-(7-carboxyheptyl)-6-hydroxy-10-methoxy-9-methyl-3-oxo-1,4,8-trioxaspiro[4 .5]dec-7-yl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04.8]tridec-12-ene-1-carboxylic acid
+CCC(=O)N1CCN([C@H](C1)C)C2=NC(=O)N(c3c2cc(c(n3)c4c(cccc4F)O)F)c5c(ccnc5C(C)C)C	MOV	amg 510 (bound form)
+O=[Mo]S	MOW	oxo(sulfanyl)molybdenum(iv) ion
+CO[C@@](C=O)([C@@H]1N=C(C(=C)CO1)C(=O)O)NC(=O)[C@H](c2ccc(cc2)O)C(=O)O	MOX	(2r)-2-[(1r)-1-{[(2s)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-oxazine-4-carboxylic acid
+CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)C(=O)c3ccccc3	MOY	[(4r)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](phenyl)methanone
+C/C(=C(\C(=O)O)/N)/O	MOZ	(2z)-2-amino-3-hydroxybut-2-enoic acid
+CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)NC	MP0	(2r,4s,5s)-5-amino-6-cyclohexyl-4-hydroxy-n-methyl-2-(2-methylpropyl)hexanamide
+CCC1=C(C2=CC3=C(C(=C4[N@]3([Cu@@]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)CC)C	MP1	n-methylmesoporphyrin containing copper
+c1ccc(cc1)COC(=O)N[C@@H](CS)C(=O)NCC(=O)O	MP2	n-[(benzyloxy)carbonyl]-l-cysteinylglycine
+C([C@H](C(=O)O)O)OP(=O)(O)O	MP3	3-phosphoglyceric acid
+Cc1c(cc(cc1O)[C@@H](C(=O)O)N)O	MP4	(2s)-amino(3,5-dihydroxy-4-methylphenyl)ethanoic acid
+Cc1ncc(c(n1)N)COP(=O)(O)O	MP5	(4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate
+C[C@H](C(C)(C)C)Nc1c2ccc(cc2c3c(n1)C(=CCC4CC4)C=NC3=O)c5c[nH]nc5	MP6	4-(2-cyclopropylethylidene)-9-(1h-pyrazol-4-yl)-6-{[(1r)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4h)-one
+c1ccc(cc1)[C@H](COc2ccc3c(c2)NC(=O)N3)NC(=O)C4=CC=CN(C4=O)Cc5ccc(c(c5)F)F	MP7	1-(3,4-difluorobenzyl)-2-oxo-n-{(1r)-2-[(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide
+C[C@@H]1C[C@H](NC1)C(=O)O	MP8	(4r)-4-methyl-l-proline
+c1ccc(cc1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N	MP9	2-amino-3-[3-hydroxy-5-(2-benzyl-2h-5-tetrazolyl)-4-isoxazolyl]-propionic acid
+CCCCCC[P@](=O)(O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C	MPA	(1r)-menthyl hexyl phosphonate group
+COC(=O)c1ccc(cc1)O	MPB	4-hydroxy-benzoic acid methyl ester
+CCCCCC[P@](=O)(O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C	MPC	(1s)-menthyl hexyl phosphonate group
+C[C@@H](CC(C)(C)O)O	MPD	(4s)-2-methyl-2,4-pentanediol
+c1ccc2c(c1)c(c[nH]2)[C@H](C(=O)O)NOCCS	MPE	(1h-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid
+CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](CO)O	MPG	[(z)-octadec-9-enyl] (2r)-2,3-bis(oxidanyl)propanoate
+CSCC[C@H](N)P(=O)(O)O	MPH	(1-amino-3-methylsulfanyl-propyl)-phosphonic acid
+c1cc[n+]2cc[nH]c2c1	MPI	imidazo[1,2-a]pyridine
+CSCC[C@H](N)[P@H](=O)O	MPJ	(1-amino-3-methylsulfanyl-propyl)-phosphinic acid
+Cc1c(c(no1)c2ccccc2)CO	MPK	(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol
+Cc1c(c(c(c[n+]1C)COP(=O)(O)O)C=O)O	MPL	n-methyl-pyridoxal-5'-phosphate
+CC[C@](C)(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)P(=O)(O)O	MPM	(1r)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]-1-methylpropylphosphonic acid
+C([C@@H]1C(=S)C(=S)[C@H]2[C@@H](O1)NC3=C(N2)C(=O)N=C(N3)N)OP(=O)(O)O	MPN	phosphoric acid mono-(2-amino-4-oxo-5,6-dithioxo-1,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester
+C1COCCN1CCCS(=O)(=O)O	MPO	3[n-morpholino]propane sulfonic acid
+COc1ccc(cc1OC)CCC(=O)O	MPP	3-(3,4-dimethoxyphenyl)propionic acid
+CN[C@@H](c1ccccc1)C(=O)O	MPQ	n-methyl-alpha-phenyl-glycine
+C(CS)C=O	MPR	2-mercapto-propion aldehyde
+C[P@H](=O)O	MPS	methylphosphinic acid
+C(CS)C(=O)O	MPT	beta-mercaptopropionic acid
+c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@H](CO)O)O	MPU	d-monapterin
+Cn1c(cc(n1)c2cccs2)N	MPV	1-methyl-3-(thiophen-2-yl)-1h-pyrazol-5-amine
+COc1ccnc(c1)CCc2[nH]c3c(n2)cccn3	MPW	2-[2-(4-methoxypyridin-2-yl)ethyl]-3h-imidazo[4,5-b]pyridine
+CN1CCN(CC1)NC(=S)Nc2ccc(cc2)S(=O)(=O)N	MPX	4-({[(4-methylpiperazin-1-yl)amino]carbonothioyl}amino)benzenesulfonamide
+CCc1cccc(c1NC(=O)n2cc\3c(c2)N=N/C3=N/C(=O)c4ccc(cc4)N5CCN(CC5)C)CC	MPY	(3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(c3)Nc4nccc(n4)c5cccnc5	MPZ	4-[(4-methylpiperazin-1-yl)methyl]-n-{3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide
+c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4	MQ0	4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile
+COc1ccc(cc1)Oc2cccc3c2c(nc(n3)N)N	MQ1	5-(4-methoxyphenoxy)-2,4-quinazolinediamine
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br	MQ2	~{n}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
+C1[C@@H](CC(=C1[C@@H](C=O)C(F)(F)F)N)C(=O)O	MQ4	(1s)-3-amino-4-[(2s)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	MQ7	menaquinone-7
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CC\C=C(/C)\CCC=C(C)C	MQ8	menaquinone 8
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CCC=C(C)C	MQ9	menaquinone-9
+CC1=C(C(=O)C2=C(C1=O)[N@@]3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC	MQA	[(1as,8s,8ar,8bs)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
+c1ccc2c(c1)c(co2)CC(=O)O	MQB	2-(1-benzofuran-3-yl)ethanoic acid
+[H]/N=C(\c1ccc2c(c1)c(cc(n2)C)Nc3cccc(c3)OC)/N	MQC	4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide
+C[C@@H](C[C@@](C)(CO)O)O	MQD	2-methylpentane-1,2,4-triol
+CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	MQE	2-methyl-3-[(2e,6e,10e,14e,18e,22e,26e,30e,34e,38e)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione
+CP(=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O	MQG	2-deoxy-2-{[(s)-hydroxy(methyl)phosphoryl]amino}-beta-d-glucopyranose
+C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)C(C)C	MQH	bottromycin a2
+Cc1cc2cccc(c2nc1)S(=O)=O	MQI	8-hydrosulfonyl-2-methylquinoline
+c1ccc2cc(ccc2c1)S(=O)(=O)NNC(=O)c3ccccc3F	MQJ	2-fluoro-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
+c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4CC[C@H](C4)CN)N)Cl	MQM	7-[(3s)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
+Cc1ccc2cc(ccc2n1)N	MQN	2-methylquinolin-6-amine
+Cc1cc2c(c(c1)OC)NC=CC2=O	MQO	8-methoxy-6-methylquinolin-4(1h)-one
+c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	MQP	[5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]iron
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4	MQQ	n-[(1s)-1-[({(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)carbonyl]-3-(phenylsulfonyl)propyl]morpholine-4-carboxamide
+C[C@@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3	MQR	[(3r)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone
+C[C@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3	MQS	[(3s)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone
+Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)C)OC)CO)O	MQT	methyl 2-o-acetyl-3-o-(4-methylbenzoyl)-beta-d-talopyranoside
+COCC(COC)n1ccc2c1ccc3c2c(nc(n3)N)N	MQU	7-[2-methoxy-1-(methoxymethyl)ethyl]-7h-pyrrolo[3,2-f] quinazoline-1,3-diamine
+c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4C[C@@H]5[C@H](C4)C5N)N)c6cccnc6	MQV	7-[(1r,5s,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
+CC(C)[C@H]1C(=O)N[C@H](/C(=N/CC(=O)N2CCC[C@H]2C(=O)N1)/N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](CC(=O)O)C4=N[C@@H](CS4)C(=O)O)C(C)C	MQW	(4~{r})-2-[(1~{r})-1-[[(2~{s})-2-[[(2~{s})-3-methyl-2-[[(4~{z},6~{s},9~{s},12~{s})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+C[C@H]1C(=O)N(C(=O)N1Cc2ccnc3c2cccc3)c4ccc(cc4)S(=O)(=O)C(F)(F)F	MQY	(5s)-5-methyl-1-(quinolin-4-ylmethyl)-3-{4-[(trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-dione
+C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)CCS(=O)C	MQZ	bottromycin a2 derivative
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C(=O)N	MR0	n~3~-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~,n~1~-dipropylbenzene-1,3,5-tricarboxamide
+c1cc2c(cc1CN)OCO2	MR1	1-(1,3-benzodioxol-5-yl)methanamine
+c1cc2c(ccc3c2c(c1)C(=O)OC3(c4ccc(cc4)O)c5ccc(cc5)O)[N+](=O)[O-]	MR2	3-diphenol-6-nitro-3h-benzo[de]isochromen-1-one
+Cn1cccc1	MR3	1-methyl-1h-pyrrole
+Cc1cc(cc(c1O)C)c2nc3ccccc3o2	MR4	4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol
+c1ccc2c(c1)nc(o2)c3cc(c(c(c3)Br)O)Br	MR5	4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol
+Cc1cc(cc(c1)c2nc3ccccc3o2)C	MR6	2-(3,5-dimethylphenyl)-1,3-benzoxazole
+C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)OC)OC)C)C)/C)OC	MR8	28-o-methylrapamycin
+Cc1ccc(cc1Oc2c(cccn2)c3ccnc(n3)NC)C(=O)Nc4cc(ccc4N5CCOCC5)C(F)(F)F	MR9	4-methyl-3-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)-n-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
+C#Cc1ccc(c(c1)F)Nc2c(ccc(c2F)F)C(=O)NOCCO	MRA	2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)benzamide
+C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)CCSC	MRB	bottromycin a2 derivative
+CC([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@H]([C@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O	MRC	mupirocin
+C[C@H](CC(C)(C)O)O	MRD	(4r)-2-methylpentane-2,4-diol
+CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O	MRE	2-(4-dimethylaminophenyl)diazenylbenzoic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)NCCCS	MRG	n2-(3-mercaptopropyl)-2'-deoxyguanosine-5'-monophosphate
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)NC(=O)C	MRH	4-acetamido-4,6-dideoxy-alpha-d-mannopyranose
+c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O	MRI	2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
+CCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	MRJ	n-[2-(dodecanoylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+Cn1ccnc1Sc2cc(c(cc2F)N)C(=O)Nc3nccs3	MRK	2-amino-4-fluoro-5-[(1-methyl-1h-imidazol-2-yl)sulfanyl]-n-(1,3-thiazol-2-yl)benzamide
+C1CN(CCC1N)C(=O)O	MRM	4-aminopiperidine-1-carboxylic acid
+Cc1ccccc1C(=O)Nc2cccc(c2)OC(C)C	MRN	2-methyl-n-[3-(1-methylethoxy)phenyl]benzamide
+c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O	MRO	2,6-dioxo-5-(2-phenylethyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)OC)O	MRP	3-o-methyl-alpha-l-rhamnopyranose
+[H]/N=C(/N)\NCCC[C@H]1C(=O)N[C@@H](CSCc2ccccc2CN(CC(=O)n3cccc3CC(=O)N1)Cc4ccco4)C(=O)N	MRQ	(14s,17r)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide
+CCCCCCCCCCCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MRR	(r)-2-methylmyristoyl-coenzyme a
+CCCCCCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MRS	(s)-2-methylmyristoyl-coenzyme a
+CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NCC(=O)[C@@H](c3ccccc3)N(C)C(=O)OCC4c5ccccc5-c6c4cccc6	MRT	(5r,9s,12s,15s,18s,21s)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9h-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid
+CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O	MRU	5-s-methyl-1-o-phosphono-5-thio-d-ribulose
+Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)F)C(C)C	MRV	4,4-difluoro-n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide
+c1cc2c(ccnc2cc1Cl)O	MRW	7-chloroquinolin-4-ol
+c1cc2c(cc1Br)c(c([nH]2)C(=O)N)S(=O)(=O)N3CCCC3	MRX	5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1h-indole-2-carboxamide
+C([C@H]([C@H](CO)O)O)O	MRY	meso-erythritol
+[H]/N=C(\N)/N1CCCCC1	MRZ	piperidine-1-carboximidamide
+COc1ccc2c(c1)occ2CC(=O)O	MS0	(6-methoxy-1-benzofuran-3-yl)acetic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(n2)C(=O)NC(=N3)N)C(=O)\C=C\c4c(ncn4[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(=O)N	MS1	2-[4-((2-amino-4-oxo-3,4-dihydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-{3-[5-carbamoyl-3-(3,4- dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-3h-imidazol-4-yl]-acryloyl}-amino)-benzoylamino]- pentanedioic acid
+C[C@@H]1[C@](C1(Cl)Cl)(C(=O)N[C@H](C)c2ccc(cc2)Br)[S@@](=O)C	MS2	2,2-dichloro-1-methanesulfinyl-3-methyl-cyclopropanecarboxylic acid [1-(4-bromo-phenyl)-ethyl]-amide
+CC(C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccn2)OCc3ccccc3)O)O)OCc4ccccc4	MS3	n,n-[2,5-o-dibenzyl-glucaryl]-di-[valinyl-aminomethanyl-pyridine]
+c1cc(c(cc1Cn2cncn2)c3ccc(c(c3)Cl)OS(=O)(=O)N)C#N	MS4	3-chloro-2'-cyano-5'-(1h-1,2,4-triazol-1-ylmethyl)biphenyl-4-yl sulfamate
+COc1cccc(c1)C[N@]2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N	MS5	7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate
+CSCC[C@@H](CS)N	MS6	(2s)-2-amino-4-(methylsulfanyl)butane-1-thiol
+CNC(=O)[C@H](Cc1ccc(cc1)OCc2ccccc2)N	MS7	o-benzyl-n-methyl-l-tyrosinamide
+C1C[C@@H]2[C@@H](C[C@](O2)(C[C@@H](C(=O)O)N)C(=O)O)OC1	MS8	(2r,3ar,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
+COC(=O)c1ccc(cc1N)Cl	MS9	methyl 2-amino-4-chlorobenzoate
+CN[C@@H](C(=O)O)SC	MSA	(2-s-methyl) sarcosine
+COc1ccc(cc1)S(=O)=O	MSB	1-methyloxy-4-sulfone-benzene
+c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)NCc5c(cccc5Cl)F	MSC	2,5-dibenzyloxy-3,4-dihydroxy-hexanedioic acid 2-chloro-6-fluoro-benzylamide (2-hydroxy-indan-1- yl)-amide
+CC(=O)c1ccc(c(c1O)[C@H]2C[C@H]2NC(=S)Nc3ccc(cn3)C#N)OC	MSD	1-[2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)-cyclopropyl]-3-(5-cyano-pyridin-2-yl)-thiourea
+C[Se]CC[C@@H](C(=O)O)N	MSE	selenomethionine
+C[Se]CC(=O)[O-]	MSF	[methylseleno]acetate
+C[n+]1cn(c2c1c(nc(n2)N)[S-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	MSG	7-methyl-6-thio-guanosine
+CCC[C@@H](CC)S(=O)(=O)C	MSH	3-methanesulfonyl-hexane
+CN1c2ccc(cc2C(=O)C1=O)S(=O)(=O)[N@@]3CCC[C@H]3COc4ccccc4	MSI	1-methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1h-indole-2,3-dione
+CC(C)(CCCOCN1C=CC(=O)NC1=O)NS(=O)(=O)c2ccccc2	MSJ	n-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide
+S1[Fe]2S[Fe]3[S+]2[Fe]1[S+]3[Fe]	MSK	broken fe4s4 cluster
+C[S@](=N)(=O)CC[C@@H](C(=O)O)N	MSL	(2s)-2-amino-4-(methylsulfonimidoyl)butanoic acid
+CSC	MSM	(methylsulfanyl)methane
+CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N	MSN	(1r,2r,3r,4s,5r)-4-amino-5-(methylthio)cyclopentane-1,2,3-triol
+C[Se@@](=O)CC[C@@H](C(=O)O)N	MSO	selenomethionine selenoxide
+CSCC[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=NC32)N)O)O)N	MSP	5'-o-[(l-methionyl)-sulphamoyl]adenosine
+COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)SC	MSQ	4-[3-methylsulfanylanilino]-6,7-dimethoxyquinazoline
+c1cc(ccc1n2ccnc2)O	MSR	4-(1h-imidazol-1-yl)phenol
+C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O	MSS	(molybdopterin-s,s)-oxo-molybdenum
+CCNc1nc(nc(n1)SC)NC(C)(C)C	MST	2-t-butylamino-4-ethylamino-6-methylthio-s-triazine
+COC(=O)CCC(=O)O	MSU	succinic acid monomethyl ester
+CCC[P@](=O)(O)O[C@H](CNC(=O)OC)c1ccccc1	MSW	[(1s)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
+CS[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CS)O)O)O	MSX	methyl 1,6-dithio-alpha-d-mannopyranoside
+CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)N	MSY	3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide
+c1cc(cc(c1)O[C@@H](c2ccc(cc2)Cl)C(=O)O)C(F)(F)F	MSZ	(2s)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
+Cc1c2ccccc2c(nn1)Cl	MT0	1-chloro-4-methylphthalazine
+CN(Cc1cnc2c(n1)c(nc([nH+]2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	MT1	n-(4-{[(2,4-diaminopteridin-1-ium-6-yl)methyl](methyl)amino}benzoyl)-l-glutamic acid
+CC[S@@+](C)CC[C@@H](C(=O)O)N	MT2	[(3s)-3-amino-3-carboxypropyl](ethyl)methylsulfonium
+CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)Cc5ccccc5	MT3	2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3h)-one
+CN1C(=O)C(=CN=C1Nc2ccc(cc2)F)c3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC	MT4	5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3h)-one
+CCCCCCCC\[NH+]=C\1/NC[C@H]2N1[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O	MT5	n-[(3e,5r,6r,7s,8r,8ar)-5,6,7,8-tetrahydroxyhexahydroimidazo[1,5-a]pyridin-3(2h)-ylidene]octan-1-aminium
+COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O	MT6	methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O)CO)CO)CO)CO)CO)CO)O)O)O)O	MT7	alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-beta-d-glucopyranose
+C[C@]1(CCN2c3c1cccc3CCC2=O)O	MT8	(1r)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinolin-5-one
+CC[C@@H]1[C@@](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O	MT9	(3r,4s,5s,7r,9e,11s,12r)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	MTA	5'-deoxy-5'-methylthioadenosine
+CC(C)(C)c1cc(ccc1O)/N=N/c2ccccc2C(=O)O	MTB	2-((3'-tertbutyl-4'-hydroxyphenyl)azo)benzoic acid
+COC(=O)NC1=C\2CC#C\C=C/C#C[C@@](/C2=C/CSSSC)(CC1=O)O	MTC	[1,8-dihydroxy-11-oxo-13-(2-methyltrithio-ethylidene)-bicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl]-carbamic acid methyl ester
+C[Te]CC(=O)[O-]	MTD	[methyltelluro]acetate
+C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O	MTE	phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8a,9,10,10a-hexahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester
+CNC=S	MTF	n-methylthioformamide
+CSCC(=O)[O-]	MTG	[methylthio]acetate
+CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3N)O)O	MTH	2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methylsulfanylmethyl-tetrahydro-furan-3,4-diol
+CSC[C@@H]1[C@H]([C@H]([C@@H]([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O	MTI	3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium
+CN[C@@H](Cc1ccc(cc1)OC)C(=O)O	MTJ	n,o-dimethyl-l-tyrosine
+CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O	MTK	montelukast
+C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O	MTL	d-mannitol
+CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O	MTM	(3s,4r)-2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]pyrrolidine-3,4-diol
+CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C	MTN	s-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate
+O	MTO	bound water
+CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	MTP	2-hydroxymethyl-5-(6-methylsulfanyl-purin-9-yl)-tetrahydro-furan-3,4-diol
+C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O	MTQ	(molybdopterin-s,s)-dioxo-thio-molybdenum(vi)
+CC1=CC(=CNC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MTR	(5-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1,2-dideoxy-ribofuranose-5-monophosphate
+C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)NC	MTS	(4s-trans)-4-(methylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O	MTT	maltotetraose
+c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	MTU	9-beta-d-ribofuranosyl-9h-purin-2-amine
+C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo@-](=O)(S2)O)OP(=O)(O)O	MTV	(molybdopterin-s,s)-dioxo-thio-molybdenum(iv)
+c1cc(cc(c1)C2=N/C(=N\c3cccc(c3)[N+](=O)[O-])/N=CC2)Cn4cncn4	MTW	hydroxy(oxo)(3-{[(2z)-4-[3-(1h-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5h)-ylidene]amino}phenyl)ammonium
+CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	MTX	methotrexate
+c1cc(cc(c1)O)C[C@@H](C(=O)O)N	MTY	meta-tyrosine
+Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N4CCOCC4)N=CC2	MTZ	4-methyl-5-{(2e)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-yl}-1,3-thiazol-2-amine
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4ccccc4)O)N5CCCNC5=O	MU0	(5s)-n-[(1s,2s,4s)-1-benzyl-2-hydroxy-4-{[(2s)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2h)-yl)butanoyl]amino}-5-phenylpentyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4cccc(c4)C(=O)C)O)NC(=O)C	MU1	n~2~-acetyl-n-[(1s,3s,4s)-4-({[(5s)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]carbonyl}amino)-1-benzyl-3-hydroxy-5-phenylpentyl]-l-valinamide
+C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	MU2	n-acetylmuramyl-l-alanyl-d-isoglutamine
+CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	MU4	n-[2-(hexadecanoylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCCCC4	MU5	~{n}-(2,3-dihydro-1~{h}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide
+COc1ccc(c2c1C=C(C(=O)N2)CCNC(=O)c3ccccc3I)OC	MU7	n-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide
+c1ccc(cc1)[C@H]2C[C@H](N(C2)C(=O)c3ccc4c(c3)OC[C@H]4N)C(=O)Nc5cccc(c5)Cl	MU8	(2~{s},4~{r})-1-[[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{n}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide
+CN1C2=C(C(=O)NC(=O)N2)NC1=O	MUA	9-methyl uric acid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	MUB	n-acetyl-alpha-muramic acid
+C1=CC(=O)O[C@H]1CC(=O)O	MUC	[(2s)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
+CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	MUD	n-{[(1r)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-l-glutamic acid
+c1ccc2cc(ccc2c1)S(=O)(=O)N	MUE	naphthalene-2-sulfonamide
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)c4ccc(cc4)O)CC=C5[C@@]3(CCC(=C5)C(=O)O)C	MUF	(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid
+CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	MUG	4-methylumbelliferyl-alpha-d-glucose
+Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F	MUH	n-{4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccc(cc3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC	MUI	(5s)-3-(4-acetylphenyl)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide
+COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N	MUJ	5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine
+Cc1cc(nc(n1)Nc2ccccc2)C	MUK	4,6-dimethyl-~{n}-phenyl-pyrimidin-2-amine
+CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C	MUL	tiamulin
+C[C@@H]1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O	MUM	5'-o-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine
+CCCCCCCC/C=C/C(=O)OC[C@H](CO)O	MUN	[(2~{s})-2,3-bis(oxidanyl)propyl] (~{e})-undec-2-enoate
+CCCCCCCCCCC[P@](=O)(O)OC	MUP	methoxyundecylphosphinic acid
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)NC)NS(=O)(=O)c3cccc(c3)c4ccc(cc4O)OC)/N	MUQ	4-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{n}-methyl-piperazine-1-carboxamide
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N	MUR	beta-muramic acid
+CC1=CC(=O)Oc2c1ccc(c2)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O	MUS	4-methyl-2-oxo-2h-chromen-7-yl 5-(acetylamino)-3,5-dideoxy-l-erythro-non-2-ulopyranosidonic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC	MUT	(5s)-3-(3-acetylphenyl)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide
+CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3cccc(c3)OC)O	MUU	n-[(1s,2r)-1-benzyl-3-{(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]-n'-methylsuccinamide
+CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3ccco3)O	MUV	n-{(1s,2r)-1-benzyl-3-[(cyclopropylmethyl)(2-furylsulfonyl)amino]-2-hydroxypropyl}-n'-methylsuccinamide
+CC(C)C[N@@]([C@@H](CCCCNC(=O)[C@H](C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)CN	MUW	n-{(5s)-5-[{[4-(aminomethyl)phenyl]sulfonyl}(isobutyl)amino]-6-hydroxyhexyl}-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O	MUX	(4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate
+CP(=O)([C@@H](c1ccc(cc1)O)N2C[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)O	MUY	(r)-[(s)-[(3s)-3-{[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid
+[H]/N=C(/c1ccc(cc1)C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc4ccccc4)P(O)Oc5ccccc5)\N	MUZ	[(~{r})-(4-carbamimidoylphenyl)-[[(2~{s})-1-[(2~{r})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid
+CCCCCCCCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO)O	MV1	(2s)-2,4-dihydroxy-3,3-dimethyl-n-[3-(nonylamino)-3-oxopropyl]butanamide
+CC(C)(CO)[C@@H](C(=O)NCCCO)O	MV2	(2s)-2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide
+c1ccc2c(c1)cccc2c3cc4cnc(nc4nc3N5CC[C@H](C5)N)N	MV4	7-[(3r)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
+C([C@@H](C=O)N)SSC[C@@H](C(=O)N)N	MV5	(2~{r})-2-azanyl-3-[[(2~{r})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](COc3cc(cc(c3)F)F)[C@H](C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc4ccccc4)OCCOC)O	MV7	n-[(2s,3s,5r)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2s)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+CC(C)[C@H](C(=O)O)NC	MV9	(2~{r})-3-methyl-2-(methylamino)butanoic acid
+CC(C)[C@@H](C(=O)O)NC	MVA	n-methylvaline
+C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CC[C@H]3C[C@H](CC(=O)O3)O)O	MVB	(1s,7s,8s,8ar)-1,2,3,7,8,8a-hexahydro-7-methyl-8-[2-[(2r,4r)-tetrahydro-4-hy droxy-6-oxo-2h-pyran-2-yl]ethyl]-1-naphthalenol
+CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](CO)O	MVC	monovaccenin
+C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O	MVD	2alpha-methyl-1alpha,25-dihydroxy-vitamin d3
+CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cc4c(ccnn4c3)N5CCN(CC5)C(=O)C6CC6	MVE	cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)N)\N	MVF	(2s)-1-[(2r)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-n-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide
+CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)c4ccc(cc4)C(=O)O	MVG	4-{6-[6-(propan-2-ylamino)-1h-indazol-1-yl]pyrazin-2-yl}benzoic acid
+CC(=CC(=O)NC)OP(=O)(O)OC	MVH	methyl [4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] hydrogen phosphate
+CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)O	MVI	mycinamicin vi
+c1cc2c(cc1C3CCCCC3)C4(CCOCC4)C(=O)N2	MVJ	5-cyclohexylspiro[1h-indole-3,4'-oxane]-2-one
+Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccc(cc4)C(=O)O)cc[nH]2)C	MVK	4-[(2~{s})-1-[(5,7-dimethyl-1~{h}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
+c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O	MVL	(5r,6r,7s,8r)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
+c1cc2c(nc1)n(nn2)c3ccc(cc3)C(=O)N(c4c(cccn4)Cl)[C@@H]5CCCNC5	MVM	n-(3-chloropyridin-2-yl)-n-[(3r)-piperidin-3-yl]-4-(3h-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide
+CC1=CC(=O)Nc2c1cc(cc2)Cl	MVN	6-chloro-4-methyl-1h-quinolin-2-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)CP(=O)(O)O)CO)O)O)O)O	MVP	(1s)-1,5-anhydro-4-o-alpha-d-glucopyranosyl-1-(phosphonomethyl)-d-glucitol
+CN1C(=O)c2c(sc(n2)N3CCC[C@@H]3C(=O)NCc4ccccc4)N=C1C5CCOCC5	MVQ	(2~{r})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{n}-(phenylmethyl)pyrrolidine-2-carboxamide
+CC(C)[C@@H](Cc1nnc(s1)NS(=O)(=O)c2cc(cc(c2)F)F)c3cccc(c3)F	MVT	3,5-bis(fluoranyl)-~{n}-[5-[(2~{r})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC	MVV	(2r)-1-(alpha-d-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9z)-octadec-9-enoate
+Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccccc4)cc[nH]2)C	MVW	5,7-dimethyl-4-[[(2~{s})-2-phenylpiperidin-1-yl]methyl]-1~{h}-indole
+COC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl	MVY	methyl (3s)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
+Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br	MVZ	5-bromanyl-3-chloranyl-~{n}-(1~{h}-imidazol-2-yl)-7-methyl-1~{h}-indol-4-amine
+Cc1ccc(o1)CO	MW0	(5-methylfuran-2-yl)methanol
+[OH2][Mn+2]	MW1	manganese ion, 1 water coordinated
+[OH2][Mn+2][OH2]	MW2	manganese dihydrate ion
+[OH2][Mn+2]([OH2])[OH2]	MW3	manganese ion, 3 waters coordinated
+CCOC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl	MW4	ethyl (3s)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
+c1ccc(cc1)CC2=C(N=C3NC=NN3C2=O)Cl	MW5	6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3h)-one
+C=Cc1ccc(cc1)C(=O)O	MW7	4-ethenylbenzoic acid
+c1ccnc(c1)CN(c2ccc(cc2)N3CCNCC3)C(=O)c4ccc(o4)c5ccc(cc5)Br	MW8	5-(4-bromophenyl)-~{n}-(4-piperazin-1-ylphenyl)-~{n}-(pyridin-2-ylmethyl)furan-2-carboxamide
+CS(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl	MWA	(3s)-n-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
+c1cc(ccc1Nc2ccc(cc2)NC3=NCCN3)NC4=NCCN4	MWB	n1-(4,5-dihydro-1h-imidazol-2-yl)-n4-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine
+Cc1ccc(o1)CON(O)O	MWC	dihydroxy[(5-methylfuran-2-yl)methoxy]amine
+CCCNC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl	MWD	(3s)-n~3~-(4-chloro-3-fluorophenyl)-n~1~-propylpiperidine-1,3-dicarboxamide
+C[C@@](CCC=C(CF)CF)(C=C)OP(=O)(O)OP(=O)(O)O	MWG	(3r)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate
+Cc1cc(ccc1O)Br	MWJ	4-bromo-2-methylphenol
+c1ccc(cc1)c2c(cc(nn2)N3CCN(CC3)c4ncccn4)c5ccncc5	MWL	3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine
+Cc1cc(ccc1O)F	MWM	4-fluoro-2-methylphenol
+c1cc2c(cc1N)S(=O)(=O)C=C2	MWP	1-benzothiophen-6-amine 1,1-dioxide
+c1c([nH]cn1)CCC(=O)O	MWQ	3-(1~{h}-imidazol-5-yl)propanoic acid
+C/C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/CC[C@@H](C(C)(C)O)O	MWS	4-{[(2z,6s)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7h-furo[3,2-g][1]benzopyran-7-one
+C[n+]1c(cn(n1)c2ccc(c(c2)OCCN3CCNC3=O)c4nc(cs4)CCc5ccccc5)CCCCN	MWT	1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one
+CC(C)[C@H]1c2ccc(cc2CC[C@@]1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F	MWV	(1s,2s)-2-(2-{[3-(1h-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate
+c1ccc(cc1)CCc2csc(n2)c3ccc(cc3OCCC4CCNCC4)n5cc(nn5)CCCCN	MWW	4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine
+CC[C@@]1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CSc4nc([nH]n4)N)C	MWY	(3as,4r,5s,6r,8r,9r,9ar,10r)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1h-1,2,4-triazol-3-yl)sulfanyl]acetate
+C[n+]1c(cn(n1)c2ccc(c(c2)OCCC3CCNCC3)c4nc(cs4)CCc5ccccc5)CCCCN	MWZ	4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine
+CC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)[C@@H](C)C(=O)O)OC)OC1)C(=O)O	MX0	(1r,6r,7r)-7-[(2r)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+CO[C@]([C@@H]1N=C(C(=C)CO1)C(=O)O)(C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O	MX1	(2r)-2-((r)-carboxy{[carboxy(4-hydroxyphenyl)acetyl]amino}methoxymethyl)-5-methylene-5,6-dihydro-2h-1,3-oxazine-4-carbo xylic acid
+CN(Cc1ccccc1)C(=O)CCC(=O)N(CC(=O)O)N	MX3	(1-{4-[benzyl(methyl)amino]-4-oxobutanoyl}hydrazino)acetic acid
+c1ccc(cc1)COC(=O)CCC(=O)N(CC(=O)O)N	MX4	{1-[4-(benzyloxy)-4-oxobutanoyl]hydrazino}acetic acid
+c1ccc2c(c1)CCCN2C(=O)CCC(=O)N(CC(=O)O)N	MX5	{1-[4-(3,4-dihydroquinolin-1(2h)-yl)-4-oxobutanoyl]hydrazino}acetic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC	MX7	(2r)-3-(phosphonooxy)propane-1,2-diyl (9z,9'z)bis-octadec-9-enoate
+CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)NO	MX8	4-hexoxy-~{n}-[(2~{s})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide
+Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC	MXA	6-(2,5-dimethoxy-benzyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
+Cc1nccn1Cc2cn(nn2)CC[C@H](c3ccccc3)NC(=O)/C=N/O	MXB	(r,e)-2-(hydroxyimino)-n-(3-(4-((2-methyl-1h-imidazol-1-yl)methyl)-1h-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide
+C[C@](COC(=O)N)([C@H](C(=O)O)Nc1c(cc2n1ccc(c2)C(=O)N)C=O)[S@](=O)O	MXC	(2s,3r)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid
+c1c([n+](c(nc1N2CCCCC2)N)[O-])N	MXD	6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide
+COCCO	MXE	2-methoxyethanol
+C[C@](COC(=O)NCCN)([C@H](C(=O)O)Nc1c(cc2n1cccc2)C=O)[S@](=O)O	MXF	(2s,3r)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)[C@@H]1N=C(C(=C)CS1)C(=O)O)C(=O)O)NC(=O)C	MXG	2-(1-{2-[4-(2-acetylamino-propionylamino)-4-carboxy-butyrylamino]-6-amino-hexanoylamino}-2-oxo-ethyl)-5-methylene-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)NC(=O)NC(C)(C)C)NS(=O)(=O)c3cccc(c3)c4ccc(c(c4)F)CO)\N	MXH	1-~{tert}-butyl-3-[1-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea
+CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N	MXI	4-(2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-3h-imidazol-4-yl)pyridin-2-amine
+CCCNC(=O)N1C[C@H](C[C@H](C1)N)C(=O)Nc2ccc(c(c2)F)Cl	MXJ	(3s,5r)-5-amino-n~3~-(4-chloro-3-fluorophenyl)-n~1~-propylpiperidine-1,3-dicarboxamide
+Cc1nccn1Cc2cn(nn2)CC[C@@H](c3ccccc3)NC(=O)/C=N/O	MXK	(2~{e})-2-hydroxyimino-~{n}-[(1~{s})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamid e
+Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](c4ccc(cc4)O)C(=O)O)OC)OC2)C(=O)O	MXL	moxalactam
+Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O	MXM	4-hydroxy-2-methyl-n-(5-methyl-1,3-thiazol-2-yl)-2h-1,2-benzothiazine-3-carboxamide 1,1-dioxide
+c1ccc(cc1)[C@H](C#N)O	MXN	(2r)-hydroxy(phenyl)ethanenitrile
+CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)CCC\C=C\NC(=O)OC)O)/C	MXP	myxopyronin b
+C1[C@H]2CNC[C@@H]1C3=CC=C(C(=O)N3C2)CCCO	MXQ	(1~{r},9~{s})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one
+C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@@H](NC2)C(=O)N(C)C	MXR	(2s,3r,4s)-4-{[(3s,5r)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+CC(C)([C@H](C(=O)O)Nc1c(cc2n1ccc(c2)NC(=O)OC)C=O)[S@](=O)O	MXS	(2s)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid
+CC1(CC(CC(N1O)(C)C)N2C(=O)CCC2=O)C	MXT	1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
+CC1=CC(=O)N(c2c1c(ccc2OC)OC)C	MXX	5,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)OC)O)O	MXY	2-o-methyl-beta-l-fucopyranose
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OC)O)O	MXZ	2-o-methyl-alpha-l-fucopyranose
+C([C@@H](C(=O)O)O)C(=O)N(CC(=O)O)N	MY0	(2s)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid
+c1ccc(cc1)CN(Cc2ccccc2)C(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY1	[n-(3-dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid
+c1ccc(cc1)COC(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY2	{1-[(3s)-4-(benzyloxy)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid
+c1ccc(cc1)CNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY3	[n-(3-benzylcarbamoyl-oxiranecarbonyl)-hydrazino] - acetic acid
+c1ccc(cc1)CCNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY4	(1-{(3s)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}hydrazino)acetic acid
+C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY5	{1-[(3s)-4-{[(1s)-2-(benzylamino)-1-methyl-2-oxoethyl]amino}-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid
+Cn1cnc2c1C(=O)NC(=N2)N	MY6	2-amino-7-methyl-1,7-dihydro-6h-purin-6-one
+CC1=NN(C(=O)C1c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O	MY7	2-(3-methyl-5-oxidanylidene-4-phenyl-4~{h}-pyrazol-1-yl)-3~{h}-benzimidazole-5-carboxylic acid
+CC[C@@H]1[C@H](/C=C/C=C/[C@H]([C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)O)C	MY8	mycinamicin viii
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H]([C@H]4C(=O)N(C(N4)(C)C)C)O	MY9	n-{(1s,2s)-1-benzyl-2-hydroxy-2-[(4s)-1,2,2-trimethyl-5-oxoimidazolidin-4-yl]ethyl}-n'-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide
+CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MYA	tetradecanoyl-coa
+CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@H](CO)N)O)O	MYB	decarboxylated myriocin
+c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O	MYC	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-chromen-4-one
+Cc1c2c(c(c(c1OC)CCO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)OC2	MYD	{[5-(6-amino-purin-7-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylmethyl}-phosphonic acid mono-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-ethyl] ester
+CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(cc1)Br	MYE	n2-({[(4-bromophenyl)methyl]oxy}carbonyl)-n1-[(1s)-1-formylpentyl]-l-leucinamide
+c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3O2)O)O	MYF	5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-chromen-4-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@H]([C@@H]2O)O)O)O)O)N)O)O)O	MYG	(1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+COc1ccc2c(c1)c(c[nH]2)CC(=O)O	MYI	(5-methoxy-1h-indol-3-yl)acetic acid
+Cc1cc(ccc1O)N(=O)=O	MYJ	2-methyl-4-nitrophenol
+CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N	MYK	n~6~-tetradecanoyl-l-lysine
+C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@@H](CO)O)(C)C)OC)OCO2)O)OC)C	MYL	mycalamide a
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2C[C@H](CC3)C(=C)C4)O)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	MYM	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,12alpha)-7-hydroxyatis-16-ene-18-thioate
+C1CNC(=N[C@H]1[C@@H](C(=O)O)N)N	MYN	(2s)-amino[(4r)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid
+CCC[C@@H](C=CS(=O)(=O)c1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCC(CC3)N4CCOCC4	MYP	4-morpholin-4-yl-piperidine-1-carboxylic acid [1-(3-benzenesulfonyl-1-propyl-allylcarbamoyl)-2-phenylethyl]-amide
+C([C@@H](C(=O)O)S[Au])C(=O)O	MYQ	(s)-(1,2-dicarboxyethylthio)gold
+CCCCCCCCCCCCCC(=O)O	MYR	myristic acid
+CCCCCCCCCCCCCCC	MYS	pentadecane
+CC(C)(c1cccnc1)C(=O)c2cccnc2	MYT	metyrapone
+c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O	MYU	3,5,6,7-tetrahydroxy-2-(3,4-dihydroxyphenyl)-4h-chromen-4-one
+CC[C@@H]1[C@](\C=C\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](\C=C\C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)O	MYV	mycinamicin v
+B123B45B167B289B31B823B966B744B622[C@@]45[C+]321CCCS(=O)(=O)N	MYW	 nidocarborane
+C[C@@H](/C=C/C=C/C(C)C)c1nc(cs1)c2nc(cs2)/C=C/[C@@H]([C@@H](C)/C(=C\C(=O)N)/OC)OC	MYX	(2z,6e)-7-{2'-[(2e,4e)-1,6-dimethylhepta-2,4-dienyl]-2,4'-bi-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienamid e
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC	MYY	(2r)-3-(phosphonooxy)-2-(tetradecanoyloxy)propyl palmitate
+CCCC/C=C\CCCCCCCC(=O)O	MYZ	myristoleic acid
+c1c([nH]cn1)CO	MZ0	1h-imidazol-5-ylmethanol
+C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)NC(=O)C	MZ1	n~2~-acetyl-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-l-alaninamide
+C/C(=C\C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)/C(F)(F)F	MZ2	(2e)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-4,4,4-trifluoro-3-methylbut-2-enamide
+Cc1c(cccc1F)C(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@](Cc3cccs3)S(=O)(=O)c4cccc(c4)OC)O	MZ3	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}propyl]-3-fluoro-2-methylbenzamide
+COc1cccc(c1)S(=O)(=O)[N@@](Cc2cccs2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4ccc(c(c4)O)O)O	MZ4	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}propyl]-3,4-dihydroxybenzamide
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)O)O)S(=O)(=O)c2ccc3c(c2)scn3	MZ5	(2s)-n-[(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4	MZ6	n-[(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide
+CCCCC[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3	MZ7	n~2~-acetyl-n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl}-l-valinamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4	MZ8	n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}-3-hydroxybenzamide
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)CCC(=O)CC)O)S(=O)(=O)c2ccc(cc2)OC	MZ9	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}propyl]-4-oxohexanamide
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc5c(c4F)CCNC5	MZA	6-chloro-n-[(3s)-1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide
+C[S@@](=O)[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N	MZB	(1r,2r,3r,4s,5r)-4-amino-5-[(r)-methylsulfinyl]cyclopentane-1,2,3-triol
+CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC	MZC	methyl {3-[2-(acetylamino)ethyl]-1h-indol-5-yl}carbamate
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	MZD	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,11alpha,13alpha)-7-hydroxy-11,16-epoxykaurane-18-thioate
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)NC(=O)NC(C)(C)C)NS(=O)(=O)c3cccc(c3)c4cccc(c4)/C(=N\[H])/N)/N	MZE	1-~{tert}-butyl-3-[1-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea
+Cc1cc(ccc1O)Cl	MZG	4-chloro-2-methylphenol
+C1CC(=O)N(C1=O)COCN2C(=O)CCC2=O	MZH	1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione
+C=CC(=O)N1CCC(CC1)CNc2c(c(ncn2)N)c3ccc(cc3)Oc4ccccc4	MZJ	1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one
+c1cc(ccc1c2ccc3c(c2)CCC(=O)N3)C(F)(F)F	MZK	6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{h}-quinolin-2-one
+CCc1cc(nn1c2ccc(cc2)NC(=O)c3cccnc3)c4cccnc4	MZL	n-[4-(5-ethyl-3-pyridin-3-yl-1h-pyrazol-1-yl)phenyl]pyridine-3-carboxamide
+CC(=O)/N=C\1/N(N=C(S1)S(=O)(=O)N)C	MZM	n-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3h)-ylidene)acetamide
+CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O	MZN	7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{r})-1-propanoylpyrrolidin-3-yl]-4~{h}-2,6-naphthyridin-1-one
+COc1cccc(c1)Nc2c3c([nH]cn3)ncn2	MZO	n-(3-methoxyphenyl)-9h-purin-6-amine
+c1[nH+]c(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N	MZP	4-carbamoyl-1-beta-d-ribofuranosyl-imidazolium-5-olate-5'-phosphate
+CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(cc4F)F	MZQ	7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{r})-1-propanoylpyrrolidin-3-yl]-4~{h}-isoquinolin-1-one
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N	MZR	5-hydroxy-1-(beta-d-ribofuranosyl)-1h-imidazole-4-carboxamide
+c1cc(ccc1Cn2c(cc(n2)C(=O)O)C(=O)O)F	MZS	1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
+C[C@H](CCC(=O)O)[N+](C)(C)C	MZT	4-(trimethylammonio)pentanoic acid
+c1ccnc(c1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)c4[nH]nnn4	MZV	3-(pyridin-2-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
+CCc1nnc(s1)N	MZW	5-ethyl-1,3,4-thiadiazol-2-amine
+CC1=CC(=O)Nc2c1c(ccc2OC)OC	MZX	5,8-dimethoxy-4-methylquinolin-2(1h)-one
+C1=CNC(=S)N1	MZY	1,3-dihydroimidazole-2-thione
+c1cc(ccc1C(=O)n2ccnc2)N	MZZ	(4-aminophenyl)-imidazol-1-yl-methanone
+C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O	N	any 5'-monophosphate nucleotide
+CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)([O-])[O-])O)O)O	N01	3-acetylpyridine adenine dinucleotide
+CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O	N02	(1s,2s)-2-{[n-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+Cc1c(c(c([nH]1)c2[nH]c3ccc(cc3n2)N)c4ccccc4)C(=O)C	N03	1-[5-(5-azanyl-1h-benzimidazol-2-yl)-2-methyl-4-phenyl-1h-pyrrol-3-yl]ethanone
+c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)COc2cccc(c2)\C=C/3\C(=O)NC(=O)S3	N04	(2r)-2-[[3-[[3-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CCC(=O)O)C(C)C)C#N)N	N05	3-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid
+Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4	N07	[3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone
+c1cc(oc1)C(=O)NCCc2ccc(cc2)F	N08	~{n}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
+COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(=O)Oc4c3cccc4	N09	n-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4h)-yl)acetamide
+c1cc(cc(c1)F)C[C@@H](C(=O)O)N	N0A	3-fluoro-l-phenylalanine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OC(=O)[C@@H](CCCCNC(=O)OC[C@H]4C[C@@H]5C[C@H]4C=C5)N)O)O)N	N0B	adenylated norbornene
+Cc1ccc(c(c1)C)O	N0D	2,4-dimethylphenol
+c1ccc(cc1)CCC(=O)Nc2ccc(cc2)O	N0E	~{n}-(4-hydroxyphenyl)-3-phenyl-propanamide
+C[C@@H](c1ccccc1)NC(=O)c2ccccc2N=Cc3c4ccccc4ccc3O	N0G	2-{(z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-n-[(1s)-1-phenylethyl]benzamide
+c1ccc(cc1)OCC(=O)Nc2ccccc2O	N0H	~{n}-(2-hydroxyphenyl)-2-phenoxy-ethanamide
+CC[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O	N0J	(4s,7ar,9ar,10s,11e,15r)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@H]3C[C@H]([C@H]([C@H]3CO)O)O	N0K	5-[ethyl(methyl)amino]-~{n}-[6-[[(1~{s},2~{r},3~{s},4~{r})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
+C[C@@H]1CCCC[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O	N0M	(4s,7ar,9ar,10s,15r)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@@H]3[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO	N0N	5-(dimethylamino)-~{n}-[6-[[(1~{r},2~{r},3~{s},4~{s},5~{s})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
+c1cc2c3cc1C(=O)NS(=O)(=O)CCOCCCCCCN3C[C@@]4(CCc5c4ccc(c5)Cl)CO2	N0P	(4s)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3h,5h,14h-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15h,17h)-trione
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC[C@@H]3[C@@H]([C@@H]([C@@H](CN3)O)O)CO	N0Q	5-(dimethylamino)-~{n}-[6-[(2~{r},3~{r},4~{s},5~{r})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
+C[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O	N0S	(4s,7ar,9ar,10s,11e,15r)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione
+CCCCCCCCN[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO	N0T	(1~{s},2~{s},3~{s},4~{r},5~{r})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol
+COC[C@]1(CCN(C1)CC(=O)N2CCC(=CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C8CC8	N0V	(3r)-n-[3-(2-cyclopropylpyridin-4-yl)-1h-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2h)-yl}ethyl)pyrrolidine-3-carboxamide
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC[C@H]3[C@@H]([C@@H]([C@@H](CN3)O)O)CO	N0W	5-(dimethylamino)-~{n}-[6-[(2~{s},3~{r},4~{s},5~{r})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
+c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N	N0Z	2,4-bis(azanyl)-9~{h}-pyrimido[4,5-b]indol-6-ol
+CCCCCCNC(=O)OC[C@@H](C(=O)O)N	N10	o-[(hexylamino)carbonyl]-l-serine
+c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO	N11	6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
+[H]/N=C(\c1ccc(cn1)CNC(=O)C2(CCCC2)NC(=O)[C@@H](CC3CCCCC3)NCC(=O)O)/N	N12	n-[(1r)-2-[(1-{[({6-[amino(imino)methyl]pyridin-3-yl}methyl)amino]carbonyl}cyclopentyl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]glycine
+c1ccc2c(c1)[nH]c(n2)c3c4ccc(cc4[nH]n3)c5cc([nH]n5)CC(=O)Nc6cccc(c6)F	N13	2-{3-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-1h-pyrazol-5-yl}-n-(3-fluorophenyl)acetamide
+C[C@H]1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F	N14	5-fluoro-n-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4s)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
+CC(C)CCNC(=O)Cn1cc(cn1)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4	N15	2-{4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-1h-pyrazol-1-yl}-n-(3-methylbutyl)acetamide
+C/C(=C/1\C(=O)[C@@H](NC1=O)Cc2ccccc2)/Nc3ccccc3	N16	(3z,5s)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione
+Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(cc3)Oc4ccncc4	N17	3-(4-methyl-1h-imidazol-1-yl)-n-[4-(pyridin-4-yloxy)phenyl]benzamide
+COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1	N18	methyl n-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate
+c1ccc(cc1)C[C@@H]2CN(CCN2)C(=O)c3ccc(cc3)S(=O)(=O)N	N19	4-[(3~{r})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
+C[C@@H]1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F	N1A	5-fluoro-n-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4r)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
+B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C	N1B	(s)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1h-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate
+c1nc2c3n1[C@H]4[C@@H](C(C(O4)CO[P@@](=O)(O[P@](=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N(C2=O)C=N3)O)O)O)O)O)O	N1C	n1-cyclic inosine 5'-diphosphoribose
+CN1C=C(c2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)C)C1=O)c4ccc(c(c4)OC)OC	N1D	7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one
+COC(=O)c1ccc2c(c1)cccn2	N1E	methyl quinoline-6-carboxylate
+c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4	N1G	1,5-diphenyl-n-(1h-tetrazol-5-yl)-1h-pyrazole-3-carboxamide
+c1cc(cc(c1)[N+](=O)[O-])c2cc(cc(c2O)c3cc4c([nH]3)ccc(n4)N)CC(=O)O	N1H	{5-(5-amino-1h-pyrrolo[3,2-b]pyridin-2-yl)-6-hydroxy-3'-nitro-biphenyl-3-yl]-acetic acid
+CCN1CC2(C1)CN(C2)c3ccc(nc3)Nc4ncc(c(n4)c5cnn6c5[C@@H](CCCC6)C)F	N1J	n-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4r)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
+[C@H]1([C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N	N1L	2-amino-2-deoxy-beta-d-glucopyranuronic acid
+CNC(=O)c1ccccc1I	N1M	2-iodo-n-methylbenzamide
+Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCc4ccccc4)Cl)Cl	N1N	2-[[3,4-bis(chloranyl)-5-methyl-1~{h}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid
+CCC[N+](=O)[O-]	N1P	1-nitropropane
+COCCN1CCC(CC1)CNC(=O)c2c3cc(ccc3[nH]n2)c4cccc(c4F)F	N1Q	5-[2,3-bis(fluoranyl)phenyl]-~{n}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{h}-indazole-3-carboxamide
+CC(=CCC/C(=C/CC/C(=C\CO)/C)/C)C	N1S	(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
+Cc1ccc(c(n1)N)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@@](=O)(O)[O-]	N1T	1'-deazo-thiamin diphosphate
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)OS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4	N1V	(8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H]([C@@H]2CCN=C(N2)N)NC(=O)N[C@H](Cc3ccc(cc3)O)C(=O)O	N1W	(2~{r})-2-[[(1~{s})-1-[(6~{s})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{s})-3-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+Cc1ccc(o1)[C@@H]2CCCCO2	N1X	(2s)-2-(5-methylfuran-2-yl)oxane
+c1cc(ncc1CN\2CCN/C2=C\[N+](=O)[O-])Cl	N1Y	2-chloro-5-{[(2e)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine
+CCCCCCCC[n+]1ccn(c1)C[C@@](O)(P(=O)(O)O)P(=O)(O)[O-]	N1Z	hydrogen [(1s)-1-hydroxy-2-(3-octyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
+c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)O	N20	6-cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine
+c1cc(ccc1COc2ccc(cc2)\C=C/3\C(=O)NC(=O)S3)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O	N21	(2r)-2-[[4-[[4-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid
+CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC	N22	5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
+Cc1c(c2ccccc2[nH]1)CCNC(=O)c3cccs3	N23	n-[2-(2-methyl-1h-indol-3-yl)ethyl]thiophene-2-carboxamide
+c1cc(cc(c1)Br)[C@H]2N(C(=O)CS2)c3cc(ccc3O)Cl	N24	(2s)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one
+CC1(C[N@](C([N@](C1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)S(=O)(=O)c3ccc(cc3)OC)C	N25	1,3-bis-(4-methoxy-benzenesulfonyl)-5,5-dimethyl-hexahydro-pyrimidine-2-carboxylic acid hydroxyamide
+c1cc(cc2c1cc(cc2)OP(=O)(O)O)OP(=O)(O)O	N26	naphthalene-2,6-diyl bis[dihydrogen (phosphate)]
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NC(=O)C)C(=C)c3ccccc3)c4ccccc4	N27	n-[(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide
+c1cc(ccc1CN)NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO	N28	4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{n}-oxidanyl-benzamide
+CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=NC=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl	N2A	n-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide
+CCc1ccccc1	N2B	ethylbenzene
+CN[C@@H](CSC)C(=O)O	N2C	n,s-dimethylcysteine
+CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C=CC(=N4)c5ccc(c(c5)CNC(=O)c6ccccc6)Cl)Cl	N2D	n-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide
+Cc1cccnc1c2cnc3nc(nn3c2)c4cc(ccc4F)NC(=O)c5c(nc(o5)C)C	N2E	~{n}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
+Cc1ccc(cc1)S(=O)(=O)c2ccc(o2)[N+](=O)[O-]	N2F	2-[(4-methylphenyl)sulfonyl]-5-nitrofuran
+c1ccc2c(c1)cccc2CNC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C(=O)N3	N2G	2'-deoxy-n-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate)
+C(CCNC(O)O)CN	N2H	(4-azanylbutylamino)methanediol
+C=Nc1ccc2ccccc2c1	N2I	n-(naphthalen-2-yl)methanimine
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4	N2J	n-[(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide
+CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F	N2K	~{n}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
+c1cc2cc(ccc2c(c1)N)S(=O)(=O)O	N2M	5-amino-naphtalene-2-monosulfonate
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@@H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4	N2N	dichloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
+N#[N+][O-]	N2O	nitrous oxide
+C(CCN)CCN	N2P	pentane-1,5-diamine
+Cc1ccc(o1)c2ccn[nH]2	N2Q	(5p)-5-(5-methylfuran-2-yl)-1h-pyrazole
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4	N2R	dichloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@H]2C(=O)OC5)NC(=O)CC[C@H]6C[NH2][Pt]([NH2]6)Cl)OCO4	N2S	chloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
+CN(C1CCNCC1)C(=O)N2CC(=C[C@H]2c3ccccc3)c4cc(ccc4F)F	N2T	(2s)-4-(2,5-difluorophenyl)-n-methyl-2-phenyl-n-piperidin-4-yl-2,5-dihydro-1h-pyrrole-1-carboxamide
+CC[C@@H](c1ccccc1)N2Cc3cc4c(cc3C[C@H]2C(=O)N[C@@H](Cc5ccc(cc5)c6ccnc(c6C)C)C(=O)O)OC[C@@H](O4)c7ccc(cc7)OCc8ccc(c(c8)Cl)Cl	N2V	n-{(3s,8s)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1s)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-l-phenylalanine
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@H]2C(=O)OC5)NC(=O)CC[C@@H]6C[NH2][Pt]([NH2]6)Cl)OCO4	N2W	chloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
+[H]/N=C\1/NCCN1Cc2ccc(nc2)Cl	N2Y	(2z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine
+c1ccc(c(c1)c2[nH]cnn2)Cl	N2Z	3-(2-chlorophenyl)-4~{h}-1,2,4-triazole
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)O)N	N30	(1r,2r,3s,4r,6s)-4,6-diamino-2-[(5-amino-5-deoxy-beta-d-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+C[C@@]1([C@@H]2C[C@@H]3CC[C@]2(CC3=C)C=CC1=O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O	N32	2,4-dihydroxy-3-({3-[(2s,4as,8s,8ar)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2h-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OCO[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O)CO)O)N)N)O)O)N	N33	(2s,3r,4r,5s,6r)-3-amino-4-({[(2s,3r,4r,5s,6r)-3-amino-2-{[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}methoxy)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diol
+CC(C)(C)CCN1C(=O)C(=C([C@H]2[N@@]1CCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C	N34	n-{3-[1-(3,3-dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide
+CC(C)CCN1C(=O)C(=C(C(=N1)N2CCCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C	N35	n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+c1cc(cc(c1)C(=O)N)C#C[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	N37	9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-d-glycero-alpha-l-talo-decofuranuronosyl}-9h-purin-6-amine
+COc1ccc(cc1)OCCCS(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO	N38	3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-l- alaninamide
+C[C@@]1([C@@H]2C[C@@H]3C[C@H]([C@]2(CC3=C)C=CC1=O)O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O	N3A	2,4-dihydroxy-3-({3-[(2r,4ar,8s,8ar,9r)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2h-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid
+c1ccc(cc1)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F	N3B	n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide
+CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl	N3C	4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-n-{[4-({(1r)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide
+CNCCCN	N3D	n-methylpropane-1,3-diamine
+C1CN(CCC1C(=O)O)[C@@H]2[C@H](O[C@H]([C@H]2O)N3C=CC(=O)NC3=O)CO	N3E	1-[3-(4-carboxypiperidin-1-yl)-3-deoxy-beta-d-arabinofuranosyl]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C(=O)c2ccc(cc2)Nc3ccccc3N	N3F	{4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone
+c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N	N3G	n-{[4-(6-amino-9h-purin-9-yl)butyl]sulfamoyl}-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C	N3H	n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+CC(=O)Nc1cccc(c1)N	N3M	n-(3-aminophenyl)acetamide
+c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O	N3P	n-(4-chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
+c1c(cc(c(c1Cl)c2[nH]cnn2)Cl)N(CCO)CCO	N3Q	2-[[3,5-bis(chloranyl)-4-(4~{h}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol
+Cc1cc(c(cn1)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@@](=O)(O)[O-])N	N3T	3'-deazo-thiamin diphosphate
+c1cc(c(c(c1)N)Cl)c2[nH]cnn2	N3W	2-chloranyl-3-(4~{h}-1,2,4-triazol-3-yl)aniline
+CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc4c(c3)C(=C)CO4)OC)OC)OC	N3Z	~{n}-[(10~{s})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide
+CCCCCCCCS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	N40	3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-(octylsulfonyl)-l-alaninamide
+c1cc(ccc1C(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3	N41	4-(6-cyclohexylmethoxy-9h-purin-2-ylamino)--benzamide
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(c(c4)NC(=O)C=C)C(=O)N5CCOCC5)C	N42	n-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide
+C=CCN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)[O-])OCO4	N44	5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate
+CC1=C2C(=O)NC3(N2C(=O)C(=C1)Nc4cc(ncn4)N)CCCCC3	N45	6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'h-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
+Cc1cc(nc(n1)Nc2ccc(c(c2)OCCCN3CCCC3)OC)NC	N47	n~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-n~4~,6-dimethylpyrimidine-2,4-diamine
+CC1=CC(=O)N(c2c1cc(c(c2)OC)NS(=O)(=O)c3ccc(cc3)C#N)C	N48	4-cyano-n-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide
+[H]/N=C(\c1ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)NS(=O)(=O)c4ccc5ccccc5c4)/N	N4A	4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide
+CCCCc1ccccc1	N4B	n-butylbenzene
+[H]/N=C(\N)/c1ccc(cc1)Oc2nc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N\[H])/N	N4C	n-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide
+Cc1ccc(cc1Nc2c3cnn(c3ncn2)c4ccccc4)C(=O)NC	N4D	n,4-dimethyl-3-[(1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
+CCOc1ccc(cc1)NC(=O)C	N4E	n-(4-ethoxyphenyl)acetamide
+c1cc(cc(c1)O)CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N	N4I	4-({(3s,4s)-4-[(3-hydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide
+Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(cc4)OC5CCNCC5)C6CCC6	N4K	5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole
+C[C@H]1[C@@H](NC2=C(N1)NC(=NC2=O)N)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O	N4M	1-[4-({(1r)-1-[(6s,7s)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-o-{5-o-[(r)-{[(1r)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-xylitol
+c1ccnc(c1)c2csc(n2)Nc3cccc(c3)C(=O)O	N4N	3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
+C(CCN(CCCN)CCCN)CN	N4P	n,n-bis(3-aminopropyl)butane-1,4-diamine
+COc1ccc(cc1)c2cn3cc(ccc3n2)c4cc(cc(c4)OC)OC	N4Q	6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
+CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2	N4R	nexturastat a
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCCCNCCCCNCCCN)COP(=O)(O)O)O	N4S	n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2'-deoxycytidine 5'-(dihydrogen phosphate)
+c1ccc(cc1)[C@@H]2C=C(CN2C(=O)[C@H](C3CC3)N)c4cc(ccc4F)F	N4T	(1s)-1-cyclopropyl-2-[(2s)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1h-pyrrol-1-yl]-2-oxoethanamine
+CS(=O)(=O)c1ccc(c(c1)Nc2ncccn2)N[C@@H](c3cccc(c3)Cl)c4ccccn4	N4W	~{n}1-[(~{s})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{n}2-pyrimidin-2-yl-benzene-1,2-diamine
+COc1nc(nc(n1)N2CCNCC2)Nc3cc(ccc3N[C@@H](c4cccc5c4OC(O5)(F)F)c6c(cccn6)Cl)S(=O)(=O)C	N4Z	~{n}1-[(~{s})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]-~{n}2-(4-methoxy-6-piperazin-1-yl-1,3,5-triazin-2-yl)-4-methylsulfonyl-benzene-1,2-diamine
+Cc1c(nc(nc1OC)OC)C=C(CO)CO	N50	2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol
+CN(C)C/C=C/C(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3cc(ncn3)c4c[nH]c5c4cccc5	N51	4-{[(2e)-4-(dimethylamino)but-2-enoyl]amino}-n-(3-{[6-(1h-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide
+CC1(c2c(c([nH]n2)NC(=O)c3cccc(c3)Oc4ccccc4)CN1C(=O)N5CCN(C[C@@H]5Cc6ccccc6)C)C	N53	n-[6,6-dimethyl-5-[(2s)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide
+C=C[C@H](c1ccc(cc1)c2ccc(c(c2)Cl)O)n3ccnc3	N55	2-chloranyl-4-[4-[(1~{r})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol
+c1cc(nc2c1[nH]c(n2)N3CCC[C@@H](C3)NCc4cc(cc(c4)Cl)Cl)Cl	N56	(3s)-1-(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)-n-[(3,5-dichlorophenyl)methyl]piperidin-3-amine
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O)O	N57	(2s,3s,4r)-2-amino-3,4-dihydroxyoctadecyl alpha-d-galactopyranoside
+CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Sc3ccncc3	N58	1-(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)-3-[4-(pyridin-4-ylsulfanyl)phenyl]urea
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCN)O)O)N	N5A	5'-n-[(2-amino)ethyl carboxamido] adenosine
+c1ccc(cc1)C(=O)Nc2cc(n[nH]2)C3CC3	N5B	n-(5-cyclopropyl-1h-pyrazol-3-yl)benzamide
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N)[N+](=O)[O-]	N5C	5-nitrocytidine 5'-(tetrahydrogen triphosphate)
+Cc1cc(no1)NC(=O)Nc2cnn(c2)CC(=O)NC3CC3	N5D	n-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1h-pyrazol-1-yl)acetamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCC(=O)O)C(=O)O)O	N5F	(2s)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanedioic acid
+C1CC(CCC1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CN[C@@H]3[C@H]([N@@]2COP(=O)(O)O)[C@H](N[C@@H](N3)N)O	N5G	n-({trans-4-[({(2r,4r,4as,6s,8as)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-l-glutamic acid
+C[C@@H](C/C=C/C=C/CCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O	N5H	(2~{e},5~{r},10~{e},12~{e},15~{s},19~{r})-20-[[(2~{r},3~{r})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid
+c1cc2c(ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)cc1[N+](=O)[O-]	N5I	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole
+c1cncc2c1C(=O)NC=N2	N5J	3h-pyrido[3,4-d]pyrimidin-4-one
+COc1nc(nc(n1)Nc2cc(ccc2N[C@@H](c3cccc4c3OC(O4)(F)F)c5c(cccn5)Cl)S(=O)(=O)N)N	N5K	3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{s})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-]	N5M	5-nitrocytidine 5'-(dihydrogen phosphate)
+[H]/N=C(/N)\N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N(CC(=O)O)C2CC2)NS(=O)(=O)c3ccc4ccccc4c3	N5N	2-[[(2s)-4-[[(3s)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCO)O)O)N	N5O	5'-n-(2-hydroxyl)ethyl carboxyamido adenosine
+c1cc2c(ccn2C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)cc1[N+](=O)[O-]	N5P	1-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-5-nitro -1h-indole
+c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O	N5Q	4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid
+Cc1ccc(o1)[C@@](CCNC(=O)Nc2cc(on2)C)(C(F)(F)F)O	N5S	n-(5-methyl-1,2-oxazol-3-yl)-n'-[(3s)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea
+CN(C)C(=O)N1CC(=C[C@H]1c2ccccc2)c3cc(ccc3F)F	N5T	(2s)-4-(2,5-difluorophenyl)-n,n-dimethyl-2-phenyl-2,5-dihydro-1h-pyrrole-1-carboxamide
+CCNC(=O)Nc1nccs1	N5V	n-ethyl-n'-1,3-thiazol-2-ylurea
+c1cc(ccc1Cn2ccnc2)c3ccc(cc3)C(F)(F)F	N5W	1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)C(=O)c3ccccc3	N5Y	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzamide
+c1cc(ccc1/C=C/Cn2ccnc2)c3ccc(cc3)F	N5Z	1-[(~{e})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole
+CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Oc3ccncc3	N61	1-(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea
+c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCC4=Cc5c(ccc(c5F)F)OC4=O)O	N62	~{n}-[[(2~{s},3~{s},4~{r},5~{s},6~{r})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide
+Cc1cc(no1)NC(=O)NCCCN2CCN(CC2)c3ccccc3	N64	n-(5-methyl-1,2-oxazol-3-yl)-n'-[3-(4-phenylpiperazin-1-yl)propyl]urea
+CCC/C(=N/CCCC[C@@H](C(=O)O)N)/C	N65	(2~{s})-2-azanyl-6-[(~{e})-pentan-2-ylideneamino]hexanal
+CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC	N66	~{n}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
+Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC	N67	n-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide
+C(CCCOP(=O)(O)O)CCN	N68	6-aminohexyl dihydrogen phosphate
+CC(C)c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3	N69	6-(cyclohexylmethoxy)-8-isopropyl-9h-purin-2-amine
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccccc3	N6A	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cc(c(c(c5)F)F)F)O	N6B	4-fluoranyl-~{n}-[[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide
+CCCCCC[N+](=O)[O-]	N6C	1-nitrohexane
+Cc1cc(no1)NC(=O)Nc2cccc(c2)COC	N6D	n-[3-(methoxymethyl)phenyl]-n'-(5-methyl-1,2-oxazol-3-yl)urea
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	N6E	n6-methyladenosine 5'-triphosphate
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)N	N6G	((2r,3s,4r,5s)-5-(2,6-diamino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate
+CC1(CN(CCO1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl)C	N6H	[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
+Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3	N6J	n-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1h-pyrazol-4-yl}-n'-(5-methyl-1,2-oxazol-3-yl)urea
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3Cl)Cl)N	N6L	d-phenylalanyl-n-(2,5-dichlorobenzyl)-l-prolinamide
+CNc1c2c([nH]cn2)ncn1	N6M	n-methyl-9h-purin-6-amine
+c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O	N6P	6-(naphthalen-2-yl)-9-(5-o-phosphono-beta-d-ribofuranosyl)-9h-purine
+CC(C)CCCC(=C)C=C	N6Q	7-methyl-3-methylidene-oct-1-ene
+C[C@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@](=O)(O5)O)O	N6R	(2r)-n6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate
+C[C@@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@@](=O)(O5)O)O	N6S	(2s)-n6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CP(=O)(NP(=O)(O)O)O)O)O	N6T	2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine
+CCN(CC)CCn1ccc2c1ccc(c2)NC(=O)Nc3cc(on3)C	N6V	n-{1-[2-(diethylamino)ethyl]-1h-indol-5-yl}-n'-(5-methyl-1,2-oxazol-3-yl)urea
+c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N	N6W	benzo[b][1]benzazepine-11-carboxamide
+c1cc(cc(c1)N)c2cccnc2	N6Y	3-(pyridin-3-yl)aniline
+CCC(=O)N(C)CCOc1c(ncnc1N)c2cc(cc(c2C)NC(=O)c3ccc(cc3F)C4CC4)F	N6Z	~{n}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide
+Cc1cc(no1)NC(=O)NCCS(=O)(=O)c2ccccc2	N71	n-(5-methyl-1,2-oxazol-3-yl)-n'-[2-(phenylsulfonyl)ethyl]urea
+C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O	N72	(2~{r})-2-[[(3~{r},4~{r},5~{s})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid
+CC(C)[C@H](C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2	N73	(2~{r})-3-methyl-~{n}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide
+Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3	N74	n-(1-benzyl-1h-pyrazol-4-yl)-n'-(5-methyl-1,2-oxazol-3-yl)urea
+c1cc(cc(c1)Cl)C#Cc2c3cc(c(cc3oc2c4ccc(cc4)OCC(=O)NC5CC5)O)C(=O)O	N75	3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid
+c1cc(cc(c1)S(=O)(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3	N76	3-(6-cyclohexylmethoxy-9h-purin-2-ylamino)-benzenesulfonamide
+c1cc(cnc1)CNC(=O)c2[n+](c3cc(cc(c3s2)NO)C(F)(F)F)[O-]	N77	7-(hydroxyamino)-n-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide
+CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O	N78	~{n}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
+[B-]12(c3ccccc3CO1)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	N79	[(1s,5r,6r,8r)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate
+c1cc(ccc1NC(=O)NCCCCO)S(=O)(=O)N	N7A	4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
+CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6	N7B	~{n}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
+c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCCCO	N7D	3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCCOC)O	N7E	n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(5-methoxypentyl)-beta-alaninamide
+c1ccc(cc1)Cn2c3c(c(c2N4CCC[C@@H](C4)N)C#N)N=CN(C3=O)Cc5ccnc6c5cccc6	N7F	6-[(3s)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-4-ylmethyl)-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
+CC(C)(C)[C@H](C(=O)NCCC(=O)NCCCCCOC)O	N7G	(2r)-2-hydroxy-n-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide
+Cc1c2cc3[n+]4c(c(c5c(c(c6n5[Fe]47n2c(c1C=C)cc8[n+]7c(c6)C(=C8C)CCC(=O)[O-])CCC(=O)[O-])C)N(=O)=O)C(=C3C=C)C	N7H	delta-meso nitroheme
+COc1cc(ccc1O)/C=C/CO	N7I	4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
+c1cc2c(cc1S(=O)(=O)N)NC(=NO)O2	N7J	(2z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
+CCC(=O)Nc1cccc(c1)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6	N7K	~{n}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
+c1cc(ccc1NC(=O)NCCO)S(=O)(=O)N	N7M	4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide
+c1ccc2c(c1)ccnc2C(=O)N[C@H]3CCCC[C@H]4CC[C@H](N4C3=O)C(=O)N[C@@H](CC(=O)O)CO	N7N	(3~{s})-3-[[(3~{s},6~{s},10~{a}~{s})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{h}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid
+C[P@@](=O)([C@@H](c1csc2c1cc(cc2)Cl)C(=O)N/C=C/c3ccc(c(c3)F)F)O	N7O	(s)-[(1s)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(e)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid
+CC(=O)N1CCC[C@H]1C(=O)O	N7P	1-acetyl-l-proline
+CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5	N7Q	~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
+c1cc(c(c(c1)F)F)[C@@H]2CC[C@H](C(=O)N(C2)CC(F)(F)F)NC(=O)N3CCC(CC3)N4c5cccnc5NC4=O	N7R	n-[(3r,6s)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
+c1cc(c(cc1S(=O)(=O)N)NC(=O)NCCCCO)O	N7S	4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
+C(CC(=O)O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O	N7T	(2~{s})-2-[[(3~{s},4~{r},5~{r})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid
+C[C@@H](c1ccc(cc1)[N+](=O)[O-])N2c3cc(ccc3OC2=O)S(=O)(=O)N	N7V	3-[(1s)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
+CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5	N7W	~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide
+CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)OCCOC	N7X	5'-o-[(r)-hydroxy(sulfanylidene)-lambda~5~-phosphanyl]-2'-o-(2-methoxyethyl)-5-methylcytidine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N	N7Y	adenosine 3',5'-bis(trihydrogen diphosphate)
+CCC(=O)Nc1cc(ccc1OCCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5	N7Z	~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide
+C=CN1CCC[C@H]1C(=O)O	N80	1-ethenyl-l-proline
+C([C@@H]([C@@H](C(=O)O)O)C(=O)O)C(=O)O	N81	3-carboxy-2,3-dideoxy-d-erythro-pentaric acid
+CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O	N82	~{n}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide
+c1cc(c(cc1S(=O)(=O)N)NC(=O)NCc2ccncc2)O	N84	4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide
+c1ccc2c(c1)cc([nH]2)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	N85	n-[(1h-indol-2-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O	N87	(1r,4r,5r)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid
+CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O	N88	(1r,4r,5r)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
+c1ccnc(c1)CCNC(=O)Nc2cc(ccc2O)S(=O)(=O)N	N8A	4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide
+CCCCCCCC[N+](=O)[O-]	N8C	1-nitrooctane
+CCCCCCCCOCCOCCOCCOCCOCCO	N8E	3,6,9,12,15-pentaoxatricosan-1-ol
+C1[C@@H](O[C@@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F	N8G	[[(2~{s},5~{r})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1ccc(cc1)CS(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H](O3)c4ccc(cc4Cl)Cl)CC5CCC5	N8J	(2s)-n-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2h-1,4-benzoxazine-6-carboxamide
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccccn5	N8K	n-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CN(C)C)O)O)N	N8M	5'-deoxy-5'-(dimethylamino)-8-methyladenosine
+c1ccnc(c1)[C@H]2N(C(=O)CS2)c3cccc(c3)Cl	N8N	(2s)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one
+CC(=O)N1CCC[C@@H]1C(=O)O	N8P	n-acetyl-d-proline
+c1cc(cnc1)C2=NNC(=S)N2C[C@@H]3CCCO3	N8Q	4-[[(2~{s})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{h}-1,2,4-triazole-5-thione
+Cc1c(cn(n1)C)c2cc3c(c(c2)C(=O)Nc4c(ccc(c4F)NS(=O)(=O)c5ccccc5F)Cl)ncnc3N	N8S	4-amino-n-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1h-pyrazol-4-yl)quinazoline-8-carboxamide
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCSc4c5ccccc5nc6c4CCCC6	N8T	n-[8-(1,2,3,4-tetrahydroacridin-9-ylthio)octyl]-1,2,3,4-tetrahydroacridin-9-amine
+CCCCCCCCN[C@@H]1C=C([C@@H]([C@@H]([C@H]1O)O)O)CO	N8V	(1s,2s,3s,6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol
+CC(=O)N[C@H]1CN2[C@H](COC2=O)[C@@H]([C@@H]1O)O	N8W	~{n}-[(6~{s},7~{r},8~{s},8~{a}~{r})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide
+COc1ccc2c(c1)c(ncn2)N	N8Y	6-methoxyquinazolin-4-amine
+CCn1c(nnc1S)c2c(c(n(n2)C)C)Cl	N8Z	5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol
+CC(=O)Nc1ccc2c(c1)ncn2C	N91	n-(1-methylbenzimidazol-5-yl)acetamide
+c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O)Cl	N92	4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid
+CN(CCNCc1cc(cc(c1)Cl)Cl)c2[nH]c3ccc(nc3n2)Cl	N93	5-chloro-n-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-n-methyl-3h-imidazo[4,5-b]pyridin-2-amine
+c1cc2c(c(c1)C(=O)Nc3c(ccc(c3F)NS(=O)(=O)N4CCCC4)Cl)ncnc2N	N94	4-amino-n-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide
+B(c1cnn(c1)c2cc(ncn2)Cl)(O)O	N95	[1-(6-chloropyrimidin-4-yl)-1h-pyrazol-4-yl]boronic acid
+c1cc(c(cc1F)S(=O)(=O)Nc2ccc(c(c2F)NC(=O)c3csc4c3ncnc4NC5CCC(CC5)N)Cl)F	N97	4-[(trans-4-aminocyclohexyl)amino]-n-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide
+COC(=O)c1cc(nc2n1nc(c2)c3ccccc3)c4ccc5c(c4)OCO5	N98	methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate
+CCc1cccc(c1)N2[C@H](C[C@H](N2)C(=O)O)C[C@H](C(=O)O)N	N9A	(3s,5s)-5-[(2r)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid
+COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(=C)C2)OC	N9B	1,2,3,9-tetramethoxy-6-methylidene-5~{h}-cyclohepta[a]naphthalen-8-one
+CCCc1ccc(cc1)N2[C@H](C[C@@H](N2)C(=O)O)C[C@H](C(=O)O)N	N9D	(3r,5s)-5-[(2r)-2-amino-2-carboxyethyl]-1-(4-propylphenyl)pyrazolidine-3-carboxylic acid
+CN(C)C(=O)c1ccc(nc1)Nc2cc(ccn2)N3CC[C@@](C3=O)(C#N)C4CC4	N9G	6-({4-[(3s)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-n,n-dimethylpyridine-3-carboxamide
+CCNC(=O)N1[C@](CC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3	N9H	(5s)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
+c1ccc(cc1)COC(=O)NO	N9J	benzyl hydroxycarbamate
+CN[C@@H](Cc1ccc(cc1)O)C(=O)O	N9K	(2~{s})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
+c1ccc(cc1)COC(=O)NOC(=O)O	N9M	benzyl (carboxyoxy)carbamate
+c1cc(ccc1C(=O)c2ccc(c(c2O)O)O)O	N9N	(4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone
+c1cnccc1C[C@@H](C(=O)O)N	N9P	3-pyridin-4-yl-l-alanine
+c1cc(cc(c1)Cl)c2ccc(cc2)C[C@H](CC(=O)O)NC(=O)CCC(=O)O	N9Q	4-[[(2~{r})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	N9S	4-o-alpha-d-glucopyranosyl-beta-d-glucopyranose
+COc1cc2c(cc1OC)OC(=O)C(=C2)NC(=O)[C@@H]3CCC[C@@H](C3)NCc4ccccc4	N9T	(1~{r},3~{s})-~{n}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide
+CC[C@@H](C(=O)O)C(=O)SCCNC(=O)/C=C/NC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	N9V	5'-o-[(s)-{[(s)-[(3r)-4-({(1e)-3-[(2-{[(2s)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
+CN1CCc2c(c3ccccc3n2Cc4ccc(cc4)C(=O)NO)C1	N9W	4-[(2-methyl-3,4-dihydro-1~{h}-pyrido[4,3-b]indol-5-yl)methyl]-~{n}-oxidanyl-benzamide
+c1ccnc(c1)NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC3CCCC3)CN(C=O)O	N9Y	(3s)-2-{(2r)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-n-(pyridin-2-yl)hexahydropyridazine-3-carboxamide
+CC1(CC1)Nc2c3c(ccc(n3)CC#N)nc(n2)Nc4cnn(c4)C	N9Z	2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile
+[Na+]	NA	sodium ion
+CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O	NA0	3-acetylpyridine adenine dinucleotide phosphate
+CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@@H]1O)COC)O)O	NA1	2-acetamido-2-deoxy-6-o-methyl-alpha-d-allopyranose
+[OH2-][Na+][OH2-]	NA2	sodium ion, 2 water coordinated
+c1c(cncc1Br)C(=O)N[C@@H](CC(=O)O)C=O	NA3	(3s)-3-{[(5-bromopyridin-3-yl)carbonyl]amino}-4-oxobutanoic acid
+c1cc(ccc1c2cc(cnc2)C(=O)N[C@@H](CC(=O)O)C=O)C(=O)O	NA4	4-[5-(2-carboxy-1-formyl-ethylcarbamoyl)-pyridin-3-yl]-benzoic acid
+[OH2-][Na+]([OH2-])([OH2-])([OH2-])[OH2-]	NA5	sodium ion, 5 waters coordinated
+[OH2-][Na+]([OH2-])([OH2-])([OH2-])([OH2-])[OH2-]	NA6	sodium ion, 6 waters coordinated
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)OP(=O)(O)O)N	NA7	[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)[NH3+]	NA8	(1s)-1-carboxy-2-naphthalen-2-ylethanaminium
+[H]/N=C(\c1ccc(cn1)CNC(=O)[C@H](C)N(C)C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)/N	NA9	n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({6-[amino(imino)methyl]pyridin-3-yl}methyl)-n~2~-methyl-l-alaninamide
+CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	NAA	2-acetamido-2-deoxy-beta-d-allopyranose
+c1ccc2c(c1)c(ccc2O)/N=N/c3ccccc3C(=O)O	NAB	2-((4'-hydroxynaphthyl)-azo)benzoic acid
+CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NAC	3-acetyl pyridine adenine dinucleotide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	NAD	nicotinamide-adenine-dinucleotide
+CC(=O)Cc1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NAE	nicotinamide adenine dinucleotide acetone adduct
+C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O	NAF	m-(n,n,n-trimethylammonio)-2,2,2-trifluoro-1,1-dihydroxyethylbenzene
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	NAG	2-acetamido-2-deoxy-beta-d-glucopyranose
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	NAH	nicotinamide-adenine-dinucleotide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N	NAI	1,4-dihydronicotinamide adenine dinucleotide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N	NAJ	nicotinamide-adenine-dinucleotide (acidic form)
+CC(=[NH2+])C(=O)[O-]	NAK	amino-acrylate
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)N	NAL	beta-(2-naphthyl)-alanine
+c1ccc2c(c1)cccc2C[C@@H](C(=O)N)N	NAM	nam napthylaminoalanine
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	NAN	5-n-acetyl-alpha-d-neuraminic acid
+[OH2-][Na+]	NAO	sodium ion, 1 water coordinated
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N	NAP	nadp nicotinamide-adenine-dinucleotide phosphate
+CCC(=O)[C@@H](C)c1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NAQ	nicotinamide adenine dinucleotide 3-pentanone adduct
+c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O	NAR	naringenin
+c1ccc2cc(ccc2c1)S(=O)(=O)O	NAS	2-naphthalenesulfonic acid
+CCOC(=O)C1=C(NC(=S)N[C@H]1c2cccc(c2)O)C	NAT	ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
+CC(=O)N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(CCC(=O)O)(O)O	NAU	4,4,6,7,8,9-hexahydroxy-5-methylcarboxamidononanoic acid
+CC(=O)N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)CCC(=O)O	NAV	6,7,8,9-tetrahydroxy-5-methylcarboxamido-4-oxononanoic acid
+[OH2-][Na+]([OH2-])[OH2-]	NAW	sodium ion, 3 waters coordinated
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)O)N	NAX	beta-6-hydroxy-1,4,5,6-tetrhydronicotinamide adenine dinucleotide
+CC(=O)N[C@H](CCC(=O)C(=O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	NAY	6,7,8,9-tetrahydroxy-5-methylcarboxamido-2-oxononanoic acid
+Cc1ccc2ccc(nc2n1)NC(=O)CCNCCC(=O)NCc3ccc4c(n3)NC(=O)C=C4	NAZ	n~3~-{3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}-n~1~-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]-bet a-alaninamide
+CCCC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	NB1	(3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C	NB2	(1r,2s,5s)-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
+Cc1nc(c(c(n1)N2CCN3CCOC[C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(CO)O	NB4	(2r)-2-(cyclopentylmethyl)-n'-{5-fluoro-6-[(9as)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1h)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide
+Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CC6(C5)CN(C6)C)OC7(CC7)C)F	NB5	7-fluoranyl-~{n}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
+c1ccc(cc1)C(=O)NNS(=O)(=O)c2ccccc2F	NB7	n'-[(2-fluorophenyl)sulfonyl]benzohydrazide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)NO)N)O)O)N	NB8	5'-o-[(r)-{[(2s)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine
+CNCCCNCCCNCCC(O)O	NBA	3-[(3-{[3-(methylamino)propyl]amino}propyl)amino]propane-1,1-diol
+CCCCNS(=O)(=O)c1ccccc1	NBB	n-butyl-benzenesulfonamide
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC[N+](=O)[O-])O	NBC	s-4-nitrobutyryl-coa
+c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)[n+]6cccc(c6)C(=O)N)O)O)O)O	NBD	n6-benzyl-nicotinamide-adenine-dinucleotide
+c1ccc(cc1)N=O	NBE	nitrosobenzene
+B(CNC(=O)c1c2ccccc2ccc1OCC)(O)O	NBF	[(2-ethoxy-1-naphthoyl)amino]methylboronic acid
+CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	NBG	n-acetyl-beta-d-glucopyranosylamine
+CCCN(Cc1ccccc1)Cc2ccc(cc2)NC(=O)Cc3ccc(cc3)S(=O)(=O)CC	NBH	n-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide
+c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-]	NBI	2-nitro-n-phenylbenzamide
+c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I	NBJ	n'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
+Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CCN(CC5)C)OC6(CC6)C)F	NBK	7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{n}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
+CC(C)C[C@@H](C(=O)N[C@@H]1CCN(C1)C#N)NC(=O)OCc2ccccc2	NBL	n2-[(benzyloxy)carbonyl]-n1-[(3s)-1-cyanopyrrolidin-3-yl]-l-leucinamide
+c1cc(ccc1CSc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[N+](=O)[O-]	NBM	6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-d-ribofuranosyl-9h-purine
+CCCC[N+]#[C-]	NBN	n-butyl isocyanide
+CC(=O)CCc1ccc2cc(ccc2c1)OC	NBO	nabumetone
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4Br)OP(=O)(O)O)O)O)O)C(=O)N	NBP	nicotinamide 8-bromo-adenine dinucleotide phosphate
+c1ccc2cc(ccc2c1)OC/C(=C\C=O)/Nc3cc(c(cc3O)O)C[C@@H](C(=O)O)N	NBQ	2-hydroxy-5-({1-[(2-naphthyloxy)methyl]-3-oxoprop-1-enyl}amino)tyrosine
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)OCCOc3ccc(cc3)C[n+]4ccc(cc4)N(C)C	NBR	1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-n,n-dimethyl-pyridin-4-amine
+c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)OP(=O)(O)O)O)O	NBS	n6-benzyl adenosine-5'-diphosphate
+CC[C@H](C)[N+](=O)[O-]	NBT	(2s)-2-nitrobutane
+CCCC	NBU	n-butane
+CCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O	NBV	(2r,3r,4r,5s)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
+CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)Nc4cnn(c4)C5CCN(CC5)C	NBW	~{n},~{n}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N	NBX	n-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]	NBY	n-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+c1ccc(cc1)[N+](=O)[O-]	NBZ	nitrobenzene
+CN	NC	methylamine group
+c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-])C(=O)OC[C@@H](C(=O)[O-])N	NC1	nitrocefin acyl-serine
+c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)OC[C@@H](C(=O)O)N	NC2	nitrocefin acyl-serine
+C1CCC(CC1)NC(=O)NCC(=O)O	NC3	n-[(cyclohexylamino)carbonyl]glycine
+C1CCC(CC1)NC(=O)NCCCC(=O)O	NC4	4-{[(cyclohexylamino)carbonyl]amino}butanoic acid
+CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@@H]5CC	NC5	3-[(2r)-2-ethylpiperidin-1-yl]-n-[6-({3-[(2s)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide
+C1CCC(CC1)NC(=O)NCCCCCC(=O)O	NC6	6-{[(cyclohexylamino)carbonyl]amino}hexanoic acid
+C1CCC(CC1)NC(=O)NCCCCCCC(=O)O	NC7	7-{[(cyclohexylamino)carbonyl]amino}heptanoic acid
+c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)COC(=O)c4ccc(cc4)Br)N	NC8	(3r)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1h-azepinium
+c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)CO)N	NC9	(3r)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1h-azepinium
+c1cc(cnc1)C(=O)N	NCA	nicotinamide
+C[C@H](C(=O)O)NC(=O)N	NCB	n-carbamoyl-alanine
+CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O	NCC	cytidine-5'-monophosphate-5-n-acetylneuraminic acid
+C([C@@H](C(=O)O)NC(=O)N)C(=O)O	NCD	n-carbamoyl-l-aspartate
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCOCC4)NC(=O)CCN5CCOCC5	NCE	3,6-bis[(3-morpholinopropionamido)] acridine
+c1cc(sc1)CC(=O)N[C@@H]([C@@H]2N=C(CCS2)C(=O)O)C(=O)O	NCF	(2r)-2-{(1r)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1cc(cc2c1ccc(c2C(=O)O[C@H]3[C@@H](c4cc5c(cc4[C@@H]3SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N)[C@](C=C5)([C@H]6COC(=O)O6)O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)NC)O)OC	NCG	[(r)-4-((1,3-dioxolane-2-oxy)-4-(s)-yl)-4-hydroxy]-(r)-10-(2-methylamino-5-methyl-2,6-dideoxygalactopyranosyl-oxy)-(r)-11-(2-hydroxy-5-methyl-7-methoxy-1-naphthoyl-oxy)-(r)-12-s-glutathionyl-4,10,11,12-tetrahydroindacene
+C[N+](C)(C)CCO[P@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]	NCH	p-nitrophenyl-phosphocholine
+CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5CC	NCI	3,6-bis{3-[(2r)-(2-ethylpiperidino)]propionamido}acridine
+C[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5C	NCJ	3,6-bis{3-[(2r)-2-methylpiperidino)]propionamido}acridine
+CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CCN5CCC(CC5)C	NCK	3,6-bis[3-(4-methylpiperidino)propionamido]acridine
+C[C@@H]1CCC[N@](C1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@]5CCC[C@H](C5)C	NCL	3,6-bis{3-(3-[(3r)-methylpiperidino)]propionamido}acridine
+C1C[C@@H]2C[C@H]1CC2=O	NCM	norcamphor
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O	NCN	nicotinate mononucleotide
+[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3]	NCO	cobalt hexammine(iii)
+N[Pt](N)(Cl)Cl	NCP	cis-diaminodichloroplatinum
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCCCC4)NC(=O)CCN5CCCCCC5	NCQ	3,6-bis[3-(azepan-1-yl)propionamido]acridine
+Cc1ccc(c(c1)[N+](=O)[O-])O	NCR	2-nitro-p-cresol
+Cc1cc(cc2c1C=CC(=O)[C@]23[C@@H]4c5cc6c(cc5[C@H]([C@@H]4OC3=O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)[NH2+]C)C=C[C@@]6([C@H]8COC(=O)O8)O)OC	NCS	spiro[[7-methoxy-5-methyl-1,2-dihydro-naphthalene]-3,1'-[5-hydroxy-9-[2-methylamino-2,6-dideoxygalactopyranosyl-oxy]-5-(2-oxo-[1,3]dioxolan-4-yl)-3a,5,9,9a-tetrahydro-3h-1-oxa-cyclopenta[a]-s-indacen-2-one]]
+C[N@@]1CCC[C@H]1c2cccnc2	NCT	(s)-3-(1-methylpyrrolidin-2-yl)pyridine
+CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)COP(=O)(O)O)O	NCU	[(1r,5r,7r,8s)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2h)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate
+CC1=C(N(C(=O)NC1=O)C)CC(CO)CO	NCV	n-methyl-6-(1,3-dihydroxy-isobutyl)thymine
+CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@@H]([C@H]([C@@H]2O)O)O	NCW	(1s,2r,3s,4r,5r)-2,3,4-trihydroxy-n-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide
+c1cc2c(cc1[N+](=O)[O-])c(cn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N	NCX	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole-3-carboxamide
+CN[C@@H](CS)C(=O)O	NCY	n-methylcysteine
+Cc1cc(cc2c1ccc(c2C(=O)OC3[C@H](C=C[C@H]3O)O)O)OC	NCZ	2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester
+[Nd+3]	ND	neodymium ion
+CN(C)C(=O)C=CCNCCOc1ccc(cn1)/C(=C(/CC(F)(F)F)\c2ccccc2)/c3ccc4c(c3)c([nH]n4)F	ND1	(2z)-n,n-dimethyl-4-{[2-({5-[(1z)-4,4,4-trifluoro-1-(3-fluoro-2h-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide
+CC1(CC1)Oc2c3c(ccc(n3)c4cnn(c4)C)nc(n2)Nc5cnn(c5)C6CCN(CC6)C	ND2	4-(1-methylcyclopropyl)oxy-~{n}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine
+CC1(C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)C	ND3	2,2-dimethyl-3-dehydroquinic acid
+[2H][N+]([2H])([2H])[2H]	ND4	ammonium cation with d
+c1c(cc(c(c1/C=N/OCCC(=O)O)O)Br)Br	ND5	3-[(~{e})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N)O)O)O)N	ND7	5'-o-[(s)-amino(hydroxy)phosphoryl]adenosine
+c1ccc2c(c1)cc(s2)C(=O)O	ND8	benzothiophene 2 carboxylic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)CN	NDA	3-aminomethyl-pyridinium-adenine-dinucleotide
+C[N+](C)(CCCS(=O)(=O)O)CCO	NDB	n-(2-hydroxyethyl)-n,n-dimethyl-3-sulfopropan-1-aminium
+c1c[n+](cc(c1[C@@H]2CCCCC2=O)C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	NDC	nicotinamide adenine dinucleotide cyclohexanone
+c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O	NDD	2,6-dicarboxynaphthalene
+c1c[n+](cc(c1[C@H](C(=O)COP(=O)(O)O)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NDE	adenosine 5'-(trihydrogen diphosphate) p'-5'-ester with 3-(aminocarbonyl)-4-(1-hydroxyl-2-oxo-3-phosphonooxy-propyl)-1-beta-d-ribofuranosylpyridinium inner salt
+c1ccc(cc1)C[C@H](C(=O)O)NC(=O)C(=O)O	NDF	n-(carboxycarbonyl)-d-phenylalanine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	NDG	2-acetamido-2-deoxy-alpha-d-glucopyranose
+c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O	NDH	(1r, 2s)-cis 1,2 dihydroxy-1,2-dihydronaphthalene
+CCCCNC(=S)N1C[C@@H]([C@H]([C@H]([C@H]1CO)O)O)O	NDJ	(2r,3s,4r,5s)-n-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide
+Cn1c[n+](c2c1NC(NC2O)N)C	NDM	7,9-dimethylguanine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O	NDN	2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate)
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5O)OP(=O)(O)O)O)O)O)C(=O)N	NDO	nicotinamide-(6-deamino-6-hydroxy-adenine)-dinucleotide phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N	NDP	nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
+Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP(=O)(O)O	NDQ	2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34	NDR	(14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one
+CC[N+](C)(C)CCCS(=O)(=O)[O-]	NDS	ethyl dimethyl ammonio propane sulfonate
+B1(c2ccccc2C=N[N@@]1S(=O)(=O)c3ccc(cc3)C)O	NDT	2-(toluene-4-sulfonyl)-2h-benzo[d][1,2,3]diazaborinin-1-ol
+C1[C@@H]([C@H](O[C@H]1N2CC(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O	NDU	2'-deoxy-5-nitrouridine 5'-monophosphate
+CC1([C@@H](N[C@@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C	NDV	(2s,4s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N	NDW	alpha-nadph
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C[C@H](C(=O)N4)C5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OP(=O)(O)O)O)O)O)C	NDX	[[(2~{r},3~{s},4~{r},5~{r})-5-[4-[(1~{s},3~{a}~{s},3~{b}~{s},5~{a}~{r},8~{s},9~{a}~{r},9~{b}~{s},11~{a}~{s})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{h}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+c1ccc(cc1)C[C@H](C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O	NDY	(1r,4r,5r)-1,4,5-trihydroxy-3-[(1r)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid
+C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O	NDZ	(2r,3ar,6r,7r,7ar)-2-[(2s)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2h-furo[3,2-b]pyran-2-carboxylic acid
+c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl	NE1	2',3,3',4',5-pentachlorobiphenyl-4-ol
+c1cc(c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl	NE2	3,3',4',5-tetrachlorobiphenyl-4-ol
+c1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)[N+](=O)=O)c4ccc(c(c4)C(=O)O)O)O	NE5	5-[(2~{r})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{h}-pyrrol-1-yl]-2-oxidanyl-benzoic acid
+CCC/C(=C/C=C(\C)/C(=O)C1C(=O)C=C(OC1=O)[C@H](C)CCC\C=N\C(=O)OC)/C	NE6	methyl [(1e,5r)-5-{(3s)-3-[(2e,4e)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2h-pyran-6-yl}hexylidene]carbamate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O	NE7	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
+c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3	NE8	6-amino-4-(2-phenylethyl)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCN)O)O)N	NEA	5'-deoxy-5'-[2-(amino)ethylthio]adenosine
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O)O)O)[NH3+]	NEB	2-deoxy-d-streptamine
+CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	NEC	n-ethyl-5'-carboxamido adenosine
+C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)[NH3+])O)O)[NH3+]	NED	2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose
+Cc1cc(cc(c1Cl)C)Oc2cccc(c2)Cn3ccnc3	NEE	1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1h-imidazole
+c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)/C=C/c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O	NEF	nitrocefin - open form
+C[N@@](CC(=O)O)NC(=O)C[C@@H](C[C@H](CN)O)N	NEG	negamycin
+CCN	NEH	ethanamine
+CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)I)O)O	NEI	(2s,3s,4r,5r)-5-(6-amino-2-iodo-9h-purin-9-yl)-n-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O	NEJ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
+c1cc(ccc1/C=N/OCCC(=O)O)O	NEK	3-[(~{e})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid
+Cn1cc(nc1)C[C@@H](C(=O)O)N	NEM	ne2-methylated histidine
+CCN1C(=O)CCC1=O	NEN	1-ethyl-pyrrolidine-2,5-dione
+c1c(nc2c(n1)N=C(NC2=O)N)[C@H]([C@@H](CO)O)O	NEO	neopterin
+c1c(ncn1P(=O)(O)O)C[C@@H](C(=O)O)N	NEP	n1-phosphonohistidine
+CCN1C(=O)C=CC1=O	NEQ	n-ethylmaleimide
+CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O	NER	(15e)-tetracos-15-enoic acid
+C(CS(=O)(=O)O)NC(CO)(CO)CO	NES	2-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-ethanesulfonic acid
+CC[N+](CC)(CC)CC	NET	tetraethylammonium ion
+c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O)O	NEU	l-neopterin
+Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4	NEV	nevirapine
+c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl	NEW	3,3',5,5'-tetrachlorobiphenyl-4,4'-diol
+C\C(=C/C=C/C=C(\C)/C=C/C=C(C)C=C=C1C(C[C@@H](C[C@@]1(C)O)O)(C)C)\C=C\C=C(\C)/C=C/[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C	NEX	(1r,3r)-6-{(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1s,4r,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene}-1,5,5-trimethylcyclohexane-1,3-diol
+Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3	NEZ	6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC[NH2+]CCC[NH2+]CCN4C(=O)c5cccc6c5c(ccc6)C4=O	NF	n,n'-(3,7-diazanonylene)-bis-naphthalimide
+Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4)C2=O	NF1	2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione
+Cc1cc(c(cc1F)F)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	NF2	(1s)-1,4-anhydro-1-(2,4-difluoro-5-methylphenyl)-5-o-phosphono-d-ribitol
+CCOC(=O)/C=C\C(=O)O	NF3	(~{z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid
+CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O	NF4	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[(2-ethylbutyl)({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1cc(ccc1C(=O)Nc2ccc3c(c2)CCNCC3)Br	NF5	4-bromo-n-(2,3,4,5-tetrahydro-1h-3-benzazepin-7-yl)benzamide
+Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4N(C)C)C2=O	NF6	6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O	NF7	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F	NF8	(2~{r},3~{s},4~{s},5~{s})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
+c1ccc(cc1)C[C@@H](C(=O)N)N	NFA	phenylalanine amide
+C(=O)[Fe](C=O)(C#N)O[Ni]	NFB	ni-fe active center b-form
+C(=O)[Fe](C=O)(C#N)O(=O)[Ni]	NFC	ni-fe active center a-form
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc(nc5N)F)O)O)O)O)C(=O)N	NFD	nicotinamide 2-fluoro-adenine dinucleotide
+C(=O)=[Fe](=C=O)(SO)S[Ni]	NFE	ni-fe active center
+CCOc1ccc2ccccc2c1C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	NFF	(2r,4s)-2-[(1r)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F	NFG	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-glucopyranoside
+CC(C)C[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C	NFH	n~2~-[(2r)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-n,3-dimethyl-l-valinamide
+CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O	NFJ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[(2-ethylbutyl)({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O	NFK	n'-formylkynurenine
+c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F	NFL	2-{[3-(trifluoromethyl)phenyl]amino}nicotinic acid
+Cc1ncc(c(n1)N)CNC=O	NFM	n-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide
+CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-]	NFN	6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
+C(=O)[Fe](C=O)(C#N)O[Ni]	NFO	ni-fe oxidized active center
+c1ccc(cc1)CC[C@@H](/C=C/S(=O)(=O)c2ccccc2)N	NFP	(1e,3s)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
+[H]/N=C/N[C@@H](CC(=O)O)C(=O)O	NFQ	n-[(e)-iminomethyl]-l-aspartic acid
+C(=O)[Fe](C=O)(C#N)[Ni]	NFR	ni-fe reduced active center
+S1[Fe][S]2[Fe]3[S]4[Fe]2[S@]5[Fe]4[S@@]3[Ni]51	NFS	fe(4)-ni(1)-s(5) cluster
+CC(C)C[C@@H](C(=O)NCCN)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N)C(F)(F)F	NFT	n-(2-aminoethyl)-n~2~-{(1s)-1-[4'-(aminosulfonyl)biphenyl-4-yl]-2,2,2-trifluoroethyl}-l-leucinamide
+C(=O)[Fe](C#N)(C#N)[Ni]	NFU	formyl[bis(hydrocyanato-1kappac)]ironnickel(fe-ni)
+C(#N)[Fe](C#N)(C#O)O[Ni]	NFV	ni-fe oxidized active center
+CN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	NFW	(2s)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1c2c(c(c(c1F)N3CC[C@H](C3)N)Cl)N(C=C(C2=O)C(=O)O)C4CC4	NFX	7-[(3r)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(oc1\C=N\NC(=O)N)[N+](=O)[O-]	NFZ	nitrofurazone
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O	NG1	2-acetamido-2-deoxy-1-o-phosphono-alpha-d-galactopyranose
+CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C	NG2	n-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)NC(=NC2=O)N	NG3	3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate)
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O	NG4	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccnc6c5nccc6	NG5	~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O	NG6	2-acetamido-2-deoxy-6-o-sulfo-beta-d-galactopyranose
+CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3cccc(c3)c4ccc5c(n4)sc(n5)NC(=O)C6CC6	NG7	3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-n-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide
+[B-]1(n2c(cc(c2Cc3n1c(cc3)CCC(=O)NCC)C)C)(F)F	NG8	3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{n}-ethyl-propanamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O	NGA	2-acetamido-2-deoxy-beta-d-galactopyranose
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	NGB	4-nitrophenyl 6-o-beta-d-glucopyranosyl-beta-d-glucopyranoside
+C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O	NGC	n-glycolyl-alpha-neuraminic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O)C(=O)N	NGD	3-(aminocarbonyl)-1-[(2r,3r,4s,5r)-5-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihyd roxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2- yl]pyridinium
+C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O	NGE	n-glycolyl-beta-neuraminic acid
+C([C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O	NGF	3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-d-galacto-non-2-ulosonic acid
+CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC	NGH	n-isobutyl-n-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid
+CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O	NGI	2-[p-(2-carboxyethyl)phenylethyl-amino]-5'-n-ethylcarboxamido adenosine
+CCC1=Cc2c(cccc2N)C(=O)N1	NGJ	5-amino-3-ethylisoquinolin-1(2h)-one
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)OS(=O)(=O)O)O	NGK	2-acetamido-2-deoxy-4-o-sulfo-alpha-d-galactopyranose
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O	NGL	acetylgalactosamine-4-sulfate
+C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)N(C)C)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC	NGM	nogalamycin
+[NH4+]	NGN	nitrogen
+CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO)O)O	NGO	2-methyl-4,5-dihydro-(1,2-dideoxy-alpha-d-glucopyranoso)[2,1-d]-1,3-oxazole
+C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](C3=CC4C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[NH+](C)C)O)O)C(=O)C4=C(C23)O)C(=O)OC)(C)O)OC)(C)OC)OC	NGP	nogalamycin (protonated form)
+[H]/N=C(\N)/N[C@@H](CCC(=O)O)C(=O)O	NGQ	n-carbamimidoyl-l-glutamic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	NGR	3-o-alpha-d-glucopyranosyl-alpha-d-glucopyranose
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O	NGS	2-acetamido-2-deoxy-6-o-sulfo-beta-d-glucopyranose
+CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	NGT	3ar,5r,6s,7r,7ar-5-hydroxymethyl-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]thiazole-6,7-diol
+C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[N@@](C)CO)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC	NGU	u-58872, hydroxy derivative of nogalamycin
+CC1=C(c2cc3c(c(c2C(=O)C1)O)C(=O)c4c(cccc4O)C3=O)C(=O)OC	NGV	methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate
+C[C@H]1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	NGW	(2s,3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1h-pyrano[3,2-d][1,3]thiazole-6,7-diol
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O	NGY	2-acetamido-2-deoxy-6-o-sulfo-alpha-d-glucopyranose
+CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1O)CO)O)O	NGZ	2-acetamido-2-deoxy-alpha-l-glucopyranose
+[NH]	NH	amino substitution group
+Cc1cc(c(cc1N)C(C)(C)C)SC2=C(C[C@@](OC2=O)(CCc3ccc(cc3)O)C4CCCC4)O	NH1	3-(4-amino-2-tert-butyl-5-methyl-phenylsulfanyl)-6-cyclopentyl-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one
+[NH2]	NH2	amino group
+N	NH3	ammonia
+[NH4+]	NH4	ammonium ion
+c1cc(c(cc1CCNCCC(=O)N(CCNCCc2ccc(c3c2OCC(=O)N3)O)C4CCCCC4)Cl)Cl	NH5	n-cyclohexyl-n~3~-[2-(3,4-dichlorophenyl)ethyl]-n-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide
+c1ccc(cc1)CNS(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4	NH6	~{n}1-[(4-chlorophenyl)methyl]-~{n}1-cyclopentyl-~{n}4-(phenylmethyl)benzene-1,4-disulfonamide
+Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3cc4cc(cc(c4o3)c5ccccc5)C(=O)NN6CCOCC6)O	NH7	2-[(s)-(4-chlorophenyl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]-n-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide
+Cn1cncc1[C@@](c2ccc(cc2)C#N)(c3cc4cc(cc(c4o3)c5cccc(c5)C#N)[N+](=O)[O-])O	NH8	3-{2-[(s)-(4-cyanophenyl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N[C@H](C)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O	NH9	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3r)-4-({3-[(2-{[(1s)-1-{[(2r,3s,4s,5r,6r)-4,5-dihydroxy-6-{[(r)-hydroxy{[(r)-hydroxy{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)oxolan-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}-2-methyloxan-3-yl]amino}ethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
+CN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c2ccc(s2)c3ccccn3	NHB	n-hydroxy-4-(methyl{[5-(2-pyridinyl)-2-thienyl]sulfonyl}amino)benzamide
+C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O	NHC	(1r,2s,3r,4s)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5O)O)O)O)O)C(=O)N	NHD	nicotinamide purin-6-ol-dinucleotide
+C1CCC(CC1)NCCS(=O)(=O)O	NHE	2-[n-cyclohexylamino]ethane sulfonic acid
+C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O	NHF	1,5-anhydro-d-fructose
+C[C@@]12CCN[C@@H]1Nc3c2cc(cc3)O	NHG	bis-noreseroline
+C1CC(=NN=C(N)N)CCC1=NN=C(N)N	NHH	n'-{4-[2-(diaminomethylidene)hydrazono]cyclohexyliden}aminomethanehydrazonamide
+c1cc(ccc1C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	NHI	4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid
+c1cc(cc(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N)C(F)(F)F	NHJ	4-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide
+COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO	NHK	n-hydroxy-n~2~-(2-hydroxyethyl)-n~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
+c1ccc2cc(ccc2c1)C[C@@H](C[C@H](C(=O)O)N)C(=O)O	NHL	(4s)-4-(2-naphthylmethyl)-d-glutamic acid
+CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	NHM	s-(2-oxo)pentadecylcoa
+CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N(C)C)NC(=O)[C@@H]2CC3CN2C(=O)[C@@H](NC(=O)CCc4cccc(c4)OCCO3)C5CCCCC5	NHN	(6r,8s,11s)-11-cyclohexyl-n-(1-{[(2-{[(1s)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamide
+c1c[n+](cc(c1[C@@H](C(=O)C[C@@H](C(=O)O)N)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NHO	nicotinamide-adenine-dinucleotide-5-hydroxy-4-oxonorvaline
+c1ccc(c(c1)N)SCCCCP(=O)(O)O	NHP	4-(2-aminophenylthio)-butylphosphonic acid
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCNCCCCNCCCN)O	NHQ	(3r)-27-amino-3-hydroxy-2,2-dimethyl-4,8,14-trioxo-12-thia-5,9,15,19,24-pentaazaheptacos-1-yl [(2s,3r,4s,5s)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1cc(ccc1[C@@H](Cc2ccc3c(c2)c(nc(n3)N)O)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	NHR	2-{4-[2-(2-amino-4-hydroxy-quinazolin-6-yl)-1-carboxy-ethyl]-benzoylamino}-pentanedioic acid
+c1cc(ccc1[C@H](Cc2ccc3c(c2)C(=O)NC(=N3)N)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	NHS	10-formyl-5,8,10-trideazafolic acid
+CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	NHT	(3ar,5r,6s,7r,7ar)-2-(ethylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N	NHU	2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide
+c1ccc(cc1)NCc2c[n+]3c([nH]2)[C@H]([C@H]([C@@H]([C@H]3CO)O)O)O	NHV	(5r,6r,7s,8r)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium
+CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	NHW	2-oxopentadecyl-coa
+C[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)CC(=O)NO	NHX	n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-naphthalen-2-yl-l-alanyl-l-alaninamide
+C(=O)(N)NO	NHY	n-hydroxyurea
+[Ni+2]	NI	nickel (ii) ion
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)S(=O)(=O)N3CCN(CC3)C	NI0	5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+[OH2][Ni+2]	NI1	nickel ion, 1 water coordinated
+[OH2][Ni+2][OH2]	NI2	nickel (ii) ion, 2 waters coordinated
+[OH2][Ni+2]([OH2])[OH2]	NI3	nickel (ii) ion, 3 waters coordinated
+CCCOc1ccc(cc1C2=NC3=C(CCC3)C(=O)N2)S(=O)(=O)N4CCN(CC4)C	NI5	2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4h-cyclopenta[d]pyrimidin-4-one
+c1cc(cc(c1)O)CN2[C@H]3CNC[C@@H]3N(C(=O)C2=O)Cc4cccc(c4)O	NI7	(4as,7as)-1,4-bis(3-hydroxybenzyl)hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione
+c1cc(cc(c1)CO)CN2[C@H]3CNC[C@@H]3N(C(=O)C2=O)Cc4cccc(c4)CO	NI8	(4as,7as)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione
+c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F	NI9	3-fluoro-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-]	NIA	((2r,3s,4r,5r)-5-(5-amino-4-nitro-1h-imidazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
+C([C@@H]([C@H](C(=O)O)O)[N+](=O)[O-])C(=O)O	NIC	nitroisocitric acid
+c1cc2c(c(c1)[N+](=O)[O-])C=CC2=O	NID	4-nitro-inden-1-one
+CC[N+](=O)[O-]	NIE	nitroethane
+CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3	NIF	2-ethyl-7-piperazin-1-yl-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
+[H]/N=C\N[C@@H](CCC(=O)O)C(=O)O	NIG	n-(iminomethyl)-l-glutamic acid
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO	NIH	2-{[3,5-bis(trifluoromethyl)benzyl]amino}-n-hydroxy-6-oxo-1,6-dihydropyrimidine-5-carboxamide
+CN(C)CCCN1C(=O)c2cc(c3c4c2c(c(cc4C(=O)N(C3=O)CCCN(C)C)NCCCO)C1=O)NCCCO	NII	2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
+[OH2][Ni+2]([OH2])([OH2])([OH2])[OH2]	NIK	pentaaquanickel
+Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	NIL	nilotinib
+CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]	NIM	4-nitro-2-phenoxymethanesulfonanilide
+c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]	NIN	dinitrophenylene
+c1cc(cnc1)C(=O)O	NIO	nicotinic acid
+c1c(cc(c(c1[N+](=O)[O-])O)I)CC(=O)NCCCCCC(=O)[O-]	NIP	4-hydroxy-5-iodo-3-nitrophenylacetyl-epsilon-aminocaproic acid anion
+CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N	NIQ	6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1h,3h)-dione
+C[C@@H]1[C@H]([C@H](C(O1)N2CC=CC(C2)C(=O)N)O)O	NIR	3-(aminocarbonyl)-1-[(3r,4s,5r)-3,4-dihydroxy-5-methyltetrahydro-2-furanyl]pyridinium
+CC(C)[N+](=O)[O-]	NIS	2-nitropropane
+c1cc(ccc1N)[N+](=O)[O-]	NIT	4-nitroaniline
+CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCC3)OC2=O)O	NIU	6,7,8,9-tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[b]pyran-2-one
+Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4	NIV	nevirapine
+Cc1c(c(c(c(n1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC	NIW	2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
+CCN1C=C(C(=O)c2c1nc(cc2)C)C(=O)O	NIX	nalidixic acid
+c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O	NIY	meta-nitro-tyrosine
+c1cnccc1C(=O)NN	NIZ	pyridine-4-carbohydrazide
+CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O	NJ1	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6cnccc6n5	NJ2	~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide
+C[C@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O	NJ4	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CCCC(=O)NCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	NJ5	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{s},6~{r})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O	NJ7	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+CCCc1ccc(c(c1)O)Oc2ccc(cc2Cl)C#N	NJ8	3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
+C[C@@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O	NJA	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3Cl)C4CC(C4)NC(=O)c5ccnc6c5nccc6	NJB	~{n}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
+COc1nc(nc(n1)Nc2ccc3c(c2)cn[nH]3)NCCc4c[nH]c5c4cccc5	NJD	n-(1h-indazol-5-yl)-n'-[2-(1h-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O	NJG	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+c1ccc(c(c1)n2c(nnc2C34CC(C3)(C4)NC(=O)c5ccccn5)c6ccncn6)Cl	NJH	~{n}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
+CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O	NJJ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6c(n5)cccn6	NJK	~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	NJM	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3)C4CC(C4)NC(=O)c5ccnc6c5nccc6	NJN	~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
+c1c(c[n+](cc1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N	NJP	5-hydroxy-nicotinamide-adenine-dinucleotide phosphate
+c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O	NJQ	3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid
+C/C(=C/C(=O)SCCN[C@H](CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O)/C(=O)O	NJS	itaconyl coenzyme a
+CCCN1c2cccnc2Nc3cc(ccc3C1=O)Cl	NJT	9-chloranyl-5-propyl-11~{h}-pyrido[2,3-b][1,4]benzodiazepin-6-one
+Cc1cc(c(cc1n2cc(nc2)C3CC3)C(=O)Nc4cccc(n4)c5nncn5C(C)C)F	NJV	5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-4-methyl-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide
+c1ccc(cc1)/C(=C/2\[C@H](N(C(=O)C2=O)c3ccc(c(c3)C(=O)O)O)c4ccc(cc4)[N+](=O)[O-])/N	NJW	5-[(2~{s},3~{r})-3-[(~{r})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid
+Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC#C[Si](C)(C)C)C(=O)C3=C(CCCC3=O)O	NJX	1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione
+CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C	NJY	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+[H]/N=C(\SCc1cc(cc(c1)CS/C(=N/[H])/N)Br)/N	NJZ	[3-bromanyl-5-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate
+c1ccc(c(c1)C=O)O	NK	salicylaldehyde
+Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5	NK0	3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-n-cyclopropyl-4-methylbenzamide
+C1C[C@@H]([C@H]2[C@@H]([C@@H](C[S@+]2C1)O)O)O	NK1	(1r,5s,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-5,7,8-triol
+C1CC[S@@+]2C[C@H]([C@H]([C@@H]2C1)O)O	NK2	(1r,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-7,8-diol
+CCCCCCCCCCCCCCCCC[C@H]1CN([C@H](C(=O)N([C@@H]1C(=O)O)C)[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CN)O)O)C	NK4	(5s)-5'-o-(5-amino-5-deoxy-beta-d-ribofuranosyl)-5'-c-[(2s,5s,6s)-5-carboxy-6-heptadecyl-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]uridine
+c1ccc(cc1)n2cc(nn2)C(=O)NO	NK5	~{n}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide
+c1cc(ccc1CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)C(F)(F)F	NK7	4-{[4-(trifluoromethyl)benzyl][(3s,4s)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide
+c1cc(ccc1CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)C(=O)N	NK8	4-({(3s,4s)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide
+c1cc(ccc1CN([C@H]2CNC[C@@H]2NCc3cc(cc(c3)O)O)S(=O)(=O)c4ccc(cc4)C(=O)N)C(F)(F)F	NK9	4-({(3s,4s)-4-[(3,5-dihydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C	NKA	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+c1c2c(c(c(c1Br)Br)Br)[nH]nn2	NKB	5,6,7-tris(bromanyl)-1~{h}-benzotriazole
+C[C@@H]([C@@H](C(=O)N/C=C\1/[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)NC(=O)[C@H](CCSC)NC(=O)N[C@@H](Cc3cccc(c3)O)C(=O)O)N(C)C(=O)[C@H](Cc4cccc(c4)O)N	NKD	(2~{s})-2-[[(2~{s})-1-[[(2~{s},3~{s})-3-[[(2~{s})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{z})-[(3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
+c1cc(c2c(c1Br)[nH]nn2)Br	NKE	4,7-bis(bromanyl)-1~{h}-benzotriazole
+c1ccc2c(c1)cccc2c3ccc(c(n3)C(=O)NCC(=O)O)O	NKG	n-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine
+COc1cc(c(cc1Cl)OC)NC(=O)c2cccc3c2nccc3	NKH	n-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide
+c1ccc2c(c1)C(=O)N[C@H](N2)c3ccc(cc3)Cl	NKI	(2s)-2-(4-chlorophenyl)-2,3-dihydro-1h-quinazolin-4-one
+C[C@H]1CCCOc2ccccc2C(=O)Nc3cccc(n3)-c4n1cnn4	NKJ	(19s)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9h)-one
+[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)c1ccc2ccccc2c1	NKK	n~2~-(naphthalen-2-ylcarbonyl)-l-lysyl-n-[(1s)-4-carbamimidamido-1-formylbutyl]-l-lysinamide
+CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)N[C@H]3CCCCNC3=O)O)O)N4C=CC(=O)NC4=O)O	NKM	(2~{s},3~{s},4~{s})-2-[(1~{r})-2-azanyl-1-[(2~{s},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-3,4-bis(oxidanyl)-~{n}-[(3~{s})-2-oxidanylideneazepan-3-yl]-3,4-dihydro-2~{h}-pyran-6-carboxamide
+CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	NKN	(2r)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	NKO	(2r)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	NKP	(2r)-2-hydroxy-3-(phosphonooxy)propyl (9e)-octadec-9-enoate
+CC/C=C\C/C=C\C/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	NKQ	(2r)-2-hydroxy-3-(phosphonooxy)propyl (9e,12z,15z)-octadeca-9,12,15-trienoate
+CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C/C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)O	NKR	(2r)-2-hydroxy-3-(phosphonooxy)propyl (4z,7e,10e,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenoate
+Cc1ccc(cc1)OC(=O)N(Cc2cccc(c2)OCc3c(oc(n3)c4ccc(cc4)Cl)C)CC(=O)O	NKS	n-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-n-[(4-methylphenoxy)carbonyl]glycine
+c1cc(c(c2c1nn[nH]2)Br)Br	NKT	6,7-bis(bromanyl)-1~{h}-benzotriazole
+CC(C)C(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	NKV	n-(2-methylpropanoyl)adenosine
+c1cc2c(cc1Br)[nH]nn2	NKW	6-bromanyl-1~{h}-benzotriazole
+CCN([C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C)C(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]	NKX	(2s)-2,3-bis(nitrooxy)propyl ethyl[(4s,6s)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran-4-yl]carbamate
+CNC(=O)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)OC)N	NKY	3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1h-1,2,4-triazol-3-yl]amino}-n-methylbenzamide
+c1cc2c(c(c1)Br)[nH]nn2	NKZ	7-bromanyl-1~{h}-benzotriazole
+c1c(cc(c2c1nn[nH]2)Br)Br	NL2	5,7-bis(bromanyl)-1~{h}-benzotriazole
+c1cc2cc(sc2c(c1)Cl)c3ccc4ccn(c4c3)Cc5cc([nH]n5)C(=O)O	NL3	3-{[6-(7-chloro-1-benzothiophen-2-yl)-1h-indol-1-yl]methyl}-1h-pyrazole-5-carboxylic acid
+Cc1c(cn(n1)C)c2[nH]c3c(c(cnc3n2)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N(C)C	NL4	3-((4-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)-1h-pyrazol-1-yl)methyl)-n,n-dimethylbenzamide
+CC(C)OCc1c(nn[nH]1)CCS(=O)(=O)c2ccccc2	NL5	4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{h}-1,2,3-triazole
+COc1cc(cnc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O	NL7	4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
+CN(c1ccc(cc1)C(=O)N)C(=O)c2ccc(cc2O)O	NL8	~{n}-(4-aminocarbonylphenyl)-~{n}-methyl-2,4-bis(oxidanyl)benzamide
+B(c1cnn(c1)c2cccc(c2)Cl)(O)O	NL9	[1-(3-chlorophenyl)-1h-pyrazol-4-yl]boronic acid
+c1ccc2c(c1)cccc2CC(=O)O	NLA	naphthalen-1-yl-acetic acid
+c1ccc(cc1)COCCCC[C@@H](C(=O)O)N	NLB	6-(benzyloxy)-l-norleucine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O	NLC	2-(acetylamino)-2-deoxy-4-o-beta-d-galactopyranosyl-alpha-d-glucopyranose
+CCNC(=O)CCC(=O)OC[C@@H]1CCN([C@H]1c2cccnc2)C	NLD	nicotine-11-yl-methyl-(4-ethylamino-4-oxo)-butanoate
+CCCC[C@@H](C(=O)O)N	NLE	norleucine
+CC(=O)N[C@@H](CCC(=O)O)C(=O)O	NLG	n-acetyl-l-glutamate
+CCCC[C@H](CC([C@H](CCCC)N)(O)O)C(=O)O	NLH	(2r,5s)-5-amino-2-butyl-4,4-dihydroxynonanoic acid
+[H]/N=C(\N)/NOCCNC(=O)CN1C(=CN=C(C1=O)NCC(c2ccccc2)(F)F)C	NLI	n-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2h)-yl}acetamide
+COc1c(cccn1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O	NLJ	4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
+CCCC[C@H](CC(=O)[C@H](CCCC)N)C(=O)O	NLK	(2r,5s)-5-amino-2-butyl-4-oxononanoic acid
+c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O)Cl	NLM	4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
+CCCC[C@@H](C(=O)N)N	NLN	norleucine amide
+CCCC[C@@H](C(=O)OC)N	NLO	o-methyl-l-norleucine
+CCCC[C@H](N)P(=O)(O)O	NLP	(1-amino-pentyl)-phosphonic acid
+CC(=O)N[C@@H](CCC(=O)N)C(=O)O	NLQ	n~2~-acetyl-l-glutamine
+c1cc(nc(c1)F)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O	NLS	4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
+CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O	NLT	n-dodecanoyl-l-tyrosine
+c1cc(nc(c1)Cl)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O	NLV	4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N)N	NLW	l-leucinamide
+C[N@@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O)CC=C	NLX	(5a,17r)-4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxo-17-(2-propenyl)-morphinanium
+C(CCNCC(=O)O)CN	NLY	n-(4-aminobutyl)glycine
+c1cc(c(cc1O)O)C(=O)N	NLZ	2,4-bis(oxidanyl)benzamide
+CNC(=O)c1cccc(c1)C[N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5	NM1	3-(7-benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis-phenoxymethyl-1l6-[1,2,7]thiadiazepan-2-ylmethyl)-n-methyl-benzamide
+C[N+](C)(C)CCCC(=O)O	NM2	3-carboxy-n,n,n-trimethylpropan-1-aminium
+CC[N+](C)(C)CCCC(=O)O	NM3	ethyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium
+COc1cc(c(cc1c2cn3ccc(cc3n2)N4CC[C@@H](C4)NCc5ccncc5)Cl)OC	NM4	(3s)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-n-[(pyridin-4-yl)methyl]pyrrolidin-3-amine
+C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	NM6	2-acetamido-3-o-[(2r)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-d-glucopyranose
+c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F	NM7	2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
+CCN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3cccc4c3ccc(c4)c5ccc(o5)/C=C\6/C(=O)NC(=O)S6)C(F)(F)F	NM8	6-{5-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-n-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide
+C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C	NM9	methyl 2-acetamido-3-o-[(2r)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-d-glucopyranoside
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(C)C(=O)O)O	NMA	n-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-2-methylalanine
+c1ccc(cc1)C[N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5	NMB	2,7-dibenzyl-1,1-dioxo-3,6-bis-phenoxymethyl-[1,2,7]thiadiazepane-4,5-diol
+C1CC1CNCC(=O)O	NMC	n-cyclopropylmethyl glycine
+COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4NCc5cccc6c5cccc6)CO)O	NMD	n-naphthalen-1-ylmethyl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine
+CN	NME	methylamine
+CC1=C(N(C(=O)NC1=O)C)C[C@H](CO)CF	NMF	6-[(2r)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione
+[H]/N=C(/N)\NCC(=O)O	NMG	guanidino acetate
+CCCCC[C@@H](C)NC=O	NMH	(r)-n-(1-methyl-hexyl)-formamide
+Cn1cc(c2c1cccc2)CCC(=O)O	NMI	3-(1-methyl-1h-indol-3-yl)propanoic acid
+c1c(nc(cn1)Cl)C(=O)O	NMJ	6-chloropyrazine-2-carboxylic acid
+CN[C@@H](CCCC[NH3+])C(=O)O	NMK	n-methyl lysine
+CC(=O)NC	NML	n-methylacetamide
+[H]/N=C(/NC)\NCCC[C@@H](C(=O)O)N	NMM	(2s)-2-amino-5-[(n-methylcarbamimidoyl)amino]pentanoic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N	NMN	beta-nicotinamide ribose monophosphate
+[N]=O	NMO	nitrogen monoxide
+C[C@@H](C(=O)NCCCS)NC(=O)CNC(=O)[C@@H](C1CCCCC1)NC(=N)N	NMP	2-[2-(2-cyclohexyl-2-guanidino-acetylamino)-acetylamino]-n-(3-mercapto-propyl)-propionamide
+[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCC[N@@](C)c1ccccc1[N+](=O)[O-])(F)(F)F	NMQ	n-methyl o-nitrophenyl aminoethyldiphosphate beryllium trifluoride
+B(=O)(c1cc(cc(c1)Cl)Cl)O	NMR	[3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(=O)NC	NMS	1-(o2-(2-methylamino-2-oxo-ethyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC(NC)O	NMT	1-(o2-(methylcarbamoyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymine
+CNC(=O)N	NMU	n-methylurea
+COc1cc2c(cc1OC)[C@H](N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4	NMW	[2,4-bis(oxidanyl)phenyl]-[(1~{s})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{h}-isoquinolin-2-yl]methanone
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCC[N+](=O)[O-])O	NMX	nitromethyldethia coenzyme a
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N	NMY	neomycin
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)CN)O)O)N)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CN)F)O)N)N	NMZ	(2s)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-3-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide
+CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2)S(=O)(=O)C)Oc4ccc(cc4Cl)F	NN1	2-(2-chloro-4-fluorophenoxy)-2-methyl-n-[(1r,2s,3s,5s,7s)-5-(methylsulfonyl)-2-adamantyl]propanamide
+c1ccc2c(c1)N=C(NS2(=O)=O)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O	NN2	1-(2-cyclopropylethyl)-3-(1,1-dioxido-2h-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxyquinolin-2(1h)-one
+CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C	NN3	3-{isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-phenylthiophene-2-carboxylic acid
+CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2)C(=O)N)Oc4ccc(cc4)OC	NN4	(1s,3r,4s,5s,7s)-4-{[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino}adamantane-1-carboxamide
+Cc1cc(cc(c1O)C)c2ccc3nc(nn3c2)Nc4ccc(cc4)C(=O)N5CCOCC5	NN5	[4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone
+Cc1cc(c(c(c1)C)S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3c4ccc(cc4)F)C	NN7	n-[(2s)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide
+COc1cc2c(cc1OC)[C@@H](N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4	NN8	[2,4-bis(oxidanyl)phenyl]-[(1~{r})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{h}-isoquinolin-2-yl]methanone
+CCCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C	NNA	(1r,2s,5s)-3-[n-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-l-valyl]-n-{(1s)-1-[(1r)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Br	NNB	o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate
+c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Cl	NNC	o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate
+CCCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O	NND	(2r,3r,4r,5s)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)NCCCCNC(=O)COc2ccc(c(c2Cl)Cl)C(=O)C(=C)CC	NNE	n,n'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide}
+CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F	NNF	2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3h)-one
+C[P@@](=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O	NNG	2-deoxy-2-{[(s)-hydroxy(methyl)phosphoryl]amino}-6-o-phosphono-alpha-d-glucopyranose
+[H]/N=C(/NCC[C@@H](C(=O)O)N)\NO	NNH	nor-n-omega-hydroxy-l-arginine
+c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)I	NNI	o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate
+C[n+]1cccc(c1)CN	NNJ	3-(aminomethyl)-1-methylpyridinium
+C[n+]1ccc(cc1)CN	NNK	4-(aminomethyl)-1-methylpyridinium
+Cc1cc(c2nncn2n1)NCCc3ccc(cc3)Cl	NNL	n-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine
+C[C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O	NNM	(3r)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate
+CC[C@H](CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C	NNN	(2r)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol
+c1cc([n+](cc1C(=O)O)[O-])O	NNO	6-hydroxyisonicotinic acid n-oxide
+CCCCCCCCCC1=CC(=O)c2ccccc2N1	NNQ	2-nonylquinolin-4(1h)-one
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	NNR	nicotinamide riboside
+CC(=O)Nc1ccc(cc1)O	NNS	4-acetyl-aminophenol
+C[n+]1ccc(c(c1)CN)Cl	NNT	3-(aminomethyl)-4-chloro-1-methylpyridinium
+c1cncc(c1Cl)CN	NNU	1-(4-chloropyridin-3-yl)methanamine
+C1C=CC2=NC3=C(C=CC[C@H]3C(=O)O)NC2[C@@H]1C(=O)O	NNV	(1r,5as,6r)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid
+c1cnccc1CN	NNW	1-(pyridin-4-yl)methanamine
+C[n+]1ccc(cc1CN)Cl	NNX	2-(aminomethyl)-4-chloro-1-methylpyridinium
+c1cnc(cc1Cl)CN	NNY	1-(4-chloropyridin-2-yl)methanamine
+C[n+]1ccccc1CN	NNZ	2-(aminomethyl)-1-methylpyridinium
+[N]=O	NO	nitric oxide
+Cc1c2c(cccc2[nH]c1C(=O)O)CO	NO1	4-(hydroxymethyl)-3-methyl-1h-indole-2-carboxylic acid
+N(=O)[O-]	NO2	nitrite ion
+[N+](=O)([O-])[O-]	NO3	nitrate ion
+c1ccc(cc1)CNCCC2=CCCCC2	NO4	n-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine
+CC(C)[C@@H](C(=O)O)NS(=O)(=O)N	NO5	(2~{s})-3-methyl-2-(sulfamoylamino)butanoic acid
+C#CCNc1c2c(ncn1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	NO7	9-{5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-alpha-d-ribofuranosyl}-n-(prop-2-yn-1-yl)-9h-purin-6-amine
+C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C	NO8	(2~{s})-~{n}-[2-[[(2~{s})-1-[[(2~{s},3~{r})-3-[(2~{s},3~{r},4~{r},5~{r},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{s})-1-[(2~{s})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{s})-2-azanylpropanoyl]pyrrolidine-2-carboxamide
+Cc1c(c(c(o1)C)S(=O)(=O)N)C(=O)O	NO9	2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid
+c1ccc2c(c1)cccc2OCC(=O)O	NOA	naphthyloxyacetic acid
+[Li]OB(O)OB(O)O	NOB	(dihydroxyboranyloxy-hydroxy-boranyl)oxylithium
+c1nc(c2c(n1)n(cn2)[C@@H]3CC([C@@H]([C@H]3O)O)CO)N	NOC	3-(6-amino-purin-9-yl)-5-hydroxymethyl-cyclopentane-1,2-diol
+C[C@H]1[C@H](C(C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)NCCO)O	NOD	n-ethylhydroxy-doxorubicin
+CCN=O	NOE	nitrosoethane
+CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34	NOG	13-beta-ethyl-17-alpha-ethynyl-17-beta-hydroxygon-4-en-3-one
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NO)COP(=O)(O)O)O	NOH	2'-deoxy-n-hydroxycytidine 5'-(dihydrogen phosphate)
+C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O	NOJ	1-deoxynojirimycin
+CC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO	NOK	2-acetamido-1,2-dideoxynojirmycin
+C[C@H]([C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C	NOL	n-[(benzyloxy)carbonyl]-o-(tert-butyl)-l-threonyl-3-cyclohexyl-n-[(1s)-2-hydroxy-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}ethyl]-l-alaninamide
+C[C@H]1C2=C(C3[C@@H](O1)CC(=O)O3)C(=O)c4cccc(c4C2=O)O	NOM	7-hydroxy-5-methyl-3,3a,5,11b-tetrahydro-1,4-dioxa-cyclopenta[a]anthracene-2,6,11-trione
+CCCCCCCCC(=O)OC	NON	methyl nonanoate (ester)
+CCCCCCCC(=O)NC1=CC(=O)CCC1	NOO	n-(3-oxocyclohex-1-en-1-yl)octanamide
+Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O	NOP	pyridoxal-5'-phosphate-n-oxide
+COc1ccc(cc1)S(=O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCCN	NOQ	(1r,2r)-n-(2-aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide
+CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)N)O	NOR	cyclohexyl-norstatine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O	NOS	inosine
+C(CCN=[N+]=[N-])C[C@@H](C(=O)O)N	NOT	6-azido-l-norleucine
+Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O	NOV	novobiocin
+[H]/N=C\CNC(=O)[C@H](Cc1cccc(c1)C)NC(=O)c2cc(nn2C)C(C)(C)C	NOW	nalpha-[(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)carbonyl]-n-[(2z)-2-iminoethyl]-3-methyl-l-phenylalaninamide
+c1cc(ccc1CC[N+]2(CCCCC2)[O-])NC(=O)CCCC(=O)O	NOX	n-(para-glutaramidophenyl-ethyl)-piperidinium-n-oxide
+C1[C@@H]([C@H]([C@@H]([C@H](N1)O)O)O)CO	NOY	(2r,3s,4r,5r)-5-(hydroxymethyl)piperidine-2,3,4-triol
+C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO	NOZ	(2s,3s,4r,5r)-5-(hydroxymethyl)piperidine-2,3,4-triol
+c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)[O-])O	NP	4-hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid
+CCCNO	NP0	n-hydroxypropan-1-amine
+Cc1ccc(c(c1)[N+](=O)[O-])NCCCN	NP1	n-(3-aminopropyl)-4-methyl-2-nitrobenzenamine
+c1ccc(c(c1)NCCCN)[N+](=O)[O-]	NP2	n-(3-aminopropyl)-2-nitrobenzenamine
+c1cn(cc1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	NP3	1-[2-deoxy-ribofuranosyl]-1h-[3-nitro-pyrrol]-5'-phosphate
+c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C/CCOC2=O)O	NP4	(5z)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3h,11h)-dione
+c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C\CCOC2=O)O	NP5	(5e)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3h,11h)-dione
+CCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	NP6	[[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate
+CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+](=O)[O-]	NP7	2-chloro-n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
+CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4cc(cnc4)OC	NP8	5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
+c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O	NPA	2-(4-hydroxy-3-nitrophenyl)acetic acid
+B(c1cccc(c1)[N+](=O)[O-])(O)O	NPB	3-nitrophenylboronic acid
+c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)[O-])O	NPC	4-hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid anion
+C[C@@H](Cc1cccc2c1cccc2)C=O	NPD	2-methyl-3-naphthalen-1-yl-propionaldehyde
+c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCCC(=O)O)[O-]	NPE	5-(para-nitrophenyl phosphonate)-pentanoic acid
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O)O	NPF	2-nitrophenyl beta-d-fucopyranoside
+c1ccc(cc1)[C@H](C(=O)O)NC(=O)CCC(=O)O	NPG	n-succinyl phenylglycine
+c1cc2cc(c3cccnc3c2nc1)NC(=O)CSC[C@@H](C(=O)O)N	NPH	cysteine-methylene-carbamoyl-1,10-phenanthroline
+C(CCC(=O)O)C[C@@H](C(=O)O)N	NPI	(2s)-2-aminoheptanedioic acid
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	NPJ	4-nitrophenyl 4-o-alpha-d-glucopyranosyl-alpha-d-galactopyranoside
+C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N3[C@H]4CS[C@@H]([C@H]4NC3=O)CCCCC(=O)O	NPK	5-[(3as,4r,6ar)-1-{[(1r)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid
+Cc1c(c(c(c[n+]1C)COP(=O)(O)O)CN)O	NPL	n-methyl-4-deoxy-4-amino-pyridoxal-5-phosphate
+c1ccnc(c1)\C=N\c2ccc(cc2)Cc3ccc(cc3)/N=C/c4ccccn4	NPM	n-[(1e)-pyridin-2-ylmethylene]-n-[4-(4-{[(1e)-pyridin-2-ylmethylene]amino}benzyl)phenyl]amine
+CCC[N+]#[C-]	NPN	n-propyl isocyanide
+c1cc(ccc1[N+](=O)[O-])O	NPO	p-nitrophenol
+CC1(CC(CC(N1[O-])(C)C)Nc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCCN)C	NPP	n-(2-amino-ethyl)-4,6-dinitro-n'-(2,2,6,6-tetramethyl-1-oxy-piperidin-4-yl)-benzene-1,3-diamine
+CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O	NPQ	n-acetyl naphthylalanine
+C1C(=NC2=C(N1)NC(=NC2=O)N)[C@@H]([C@@H](CO)O)O	NPR	2-amino-7,8-dihydro-6-(1,2,3-trihydroxypropyl)-4(1h)-pteridinone
+C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O	NPS	(2s)-2-(6-methoxynaphthalen-2-yl)propanoic acid
+CC(C)(C)CN	NPT	neopentylamine
+C[C@H]([C@@H](c1ccccc1)O)N	NPU	(1r,2r)-2-amino-1-phenylpropan-1-ol
+c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O	NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)OP(=O)(O)O)N	NPW	beta-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphate
+C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O	NPX	(2r)-2-(6-methoxynaphthalen-2-yl)propanoic acid
+c1ccc2ccccc2c1	NPY	naphthalene
+Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N	NPZ	1-methyl-3-naphthalen-2-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc2c(c1)C(=O)C=C(C2=O)O	NQ	2-hydroxynaphthoquinone
+c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F	NQ1	10-benzyl-8-fluoro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
+CC(C)(C1CCN(CC1)CCOc2cc(cc3c2COC3)c4cc(c(nc4)OC)NS(=O)(=O)C)O	NQ2	~{n}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide
+C1C[C@H](O[C@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	NQ4	[[(2~{r},5~{s})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+COCCS(=O)(=O)Nc1cc(cnc1OC)c2cc3c(c(c2)OC[C@H]4CN(CCO4)C5COC5)COC3	NQ5	2-methoxy-~{n}-[2-methoxy-5-[7-[[(2~{r})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide
+C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)N	NQ7	(5s)-2-amino-5-[(1r)-1-(1h-indol-3-yl)ethyl]-1,3-oxazol-4(5h)-one
+C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3CC2)C	NQ8	(5~{s},8~{s},9~{s},10~{s},13~{s},14~{s})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
+Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)NC5CC5	NQB	n-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]benzamide
+Cc1cc(cc2c1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C(=O)O)O	NQD	(2z,6e,10e)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid
+CN1c2ccc(cc2N(C1=O)C)Nc3c(cccn3)C#N	NQE	2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
+[H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CCC#N)NC(=O)[C@H](CC(=O)OCC)O	NQG	5-azanylidyne-n-[(2s)-4-ethoxy-2-hydroxy-4-oxobutanoyl]-l-norvalyl-l-arginyl-l-tryptophanamide
+c1cnc(c(c1NCC2CC2)C#N)Cl	NQH	2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CC=C)NC(=O)[C@@H](CC(=O)OCC)O	NQI	n~2~-[(2s)-2-{[(2r)-4-ethoxy-2-hydroxy-4-oxobutanoyl]amino}pent-4-enoyl]-l-arginyl-l-tryptophanamide
+Cc1cc(sc1S(=O)(=O)Nc2cc(ccc2Cl)C(F)(F)F)C(=O)N[C@H](Cc3ccccc3)C(=O)OC	NQJ	methyl n-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-d-phenylalaninate
+CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl	NQK	2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
+C(/C(=C\C(=O)O)/C(=O)O)C(=O)C(=O)O	NQM	(1e)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
+C[C@H](CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O	NQN	2-chloranyl-4-[[1-methyl-3-[(3~{r})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
+C[C@@H]1C(=O)N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)CCC=C	NQP	4-{[(3r)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O	NQQ	2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
+c1ccc2c(c1)C(=O)C=C(C2=O)SCCO	NQS	2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione
+Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C	NQT	5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
+C[C@@H]1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5CCN(CC5)C)C	NQV	4-{[(3r)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-n-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide
+C[C@@H]1CN(C[C@@H](O1)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl	NQW	5-[[5-chloranyl-2-[(2~{s},6~{r})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
+CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ccc4c(n3)N5CCCC[C@@H]5C(=O)N4C	NQY	3-methoxy-4-{[(6ar)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5h-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-n-(1-methylpiperidin-4-yl)benzamide
+C[C@@H]1CN(C[C@@H](C1(F)F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl	NQZ	5-[[2-[(3~{s},5~{r})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
+C1[C@@H]([C@H](C[NH2+]1)O)COP(=O)(O)O	NR1	(3r,4r)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium
+Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(cc2)S(=O)(=O)N	NR2	n-({[4-(aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O	NR3	(1s,2r,3s,4s)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O	NR4	(1s,2r,3s,4r)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
+CC1(CN(CC(O1)(C)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C	NR5	5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
+COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](CC4=O)c5cccc(c5)Cl	NR7	methyl [(5e,8s)-8-[(4s)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+CC[C@@H](CN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O	NR8	2-chloranyl-4-[[1-methyl-3-[(2~{s})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
+c1cc2cc(ccc2nc1)/C=C\3/C(=O)N=C(S3)NCc4cccs4	NR9	(5z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5h)-one
+c1c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O	NRA	norathyriol
+CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@@H](C(=O)[C@H](C(=O)O1)C)C)O[C@@H]2[C@@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C	NRB	narbomycin
+C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN	NRD	(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid
+C[C@H]1CC[C@H](N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(cn3)Br	NRE	[(2~{s},5~{s})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone
+CNC1=C(C(=O)N(N=C1)c2cccc(c2)C(F)(F)F)Cl	NRF	norflurazon
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-]	NRG	n-omega-nitro-l-arginine
+c1ccc2c(c1)c3ccncc3[nH]2	NRH	norharmane
+C1[C@@H]([C@H](CN1)O)COP(=O)(O)O	NRI	phosphoric acid mono-(4-hydroxy-pyrrolidin-3-ylmethyl) ester
+COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](OC4=O)c5cccc(c5)Cl	NRJ	methyl [(5e,8s)-8-[(6r)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+Cc1c(cnc(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F)c4cccc(c4)F	NRK	(1~{r},2~{s})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{n}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
+Cc1cc(sn1)Nc2c3ncc(n3ccn2)c4c[nH]nc4	NRM	n-(3-methylisothiazol-5-yl)-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N	NRN	(1s,2r,3s,4r)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
+CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O)[N+](=O)[O-]	NRO	3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid
+[H]/N=C(\CC(C)C)/C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O	NRP	{4-[(4-hydroxyphenyl)methylidene]-2-[(1e)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+[H]/N=C(/CCSC)\C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O	NRQ	{(4z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio)propanimidoyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CN(c1ccc2ccccc2c1)S(=O)(=O)c3ccc4c(c3)NC(=O)C(=O)N4	NRS	n-methyl-n-(naphthalen-2-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
+c1[nH]c2c(n1)c(nc(n2)N)OC[C@@H]3CCCO3	NRT	6-(tetrahydro-2-furanylmethoxy)-9h-purin-2-amine
+[NH3][Ru+3]([NH3])([NH3])([NH3])([NH3])[NH3]	NRU	ruthenium (iii) hexaamine ion
+CCN(CC)CCSc1nc2c(c3cc(ccc3n2C)F)nn1	NRV	n,n-diethyl-2-[(8-fluoro-5-methyl-5h-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine
+Cc1cc(on1)C(=O)N(C)Cc2cccnc2	NRW	n,3-dimethyl-n-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide
+c1cc2c([n+](ccn2c1)CC(=O)c3ccc(cc3)F)c4ccc(cc4)F	NRY	1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium
+Cc1cc(cc(c1)NC(=O)[C@@H]2CCCN2S(=O)(=O)c3ccc(cc3)OC)C	NRZ	(2~{s})-~{n}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide
+CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C	NS0	all-trans-1,2-dihydroneurosporene
+CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)/C)/C	NS1	15-trans-1,2-dihydroneurosporene
+Cc1c(ccc2c1[nH]c(n2)[C@@]3(CCCN3C(=O)c4cc(ccc4n5nccn5)OC)C)Cl	NS2	[(2~{s})-2-(6-chloranyl-7-methyl-1~{h}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone
+Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](N2)C4CCCC4	NS3	(3s)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]	NS4	n-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
+CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)/C)/C	NS5	15-cis-1,2-dihydroneurosporene
+CN1CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N[C@H](C3)C4CCCC4	NS6	(3r)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2-benzothiazine 1,1-dioxide
+Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](C2)C4CCCC4	NS7	(3r)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2-benzothiazine 1,1-dioxide
+c1ccc(cc1)/C=C/[N+](=O)[O-]	NS8	trans beta nitrostyrene
+CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@@H](CO)[C@@H](CO)O	NS9	(2s,3s)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol
+c1ccc(cc1)NC(=O)C(Cl)Cl	NSA	2,2-dichloro-n-phenyl-acetamide
+C[N+](C)(C)CCCS(=O)(=O)O	NSB	n,n,n-trimethyl-3-sulfopropan-1-aminium
+Cc1cc(c2cc(ccc2n1)NC(=O)Nc3ccc4c(c3)c(cc(n4)C)N)N	NSC	n,n'-bis(4-amino-2-methylquinolin-6-yl)urea
+C(CN)CNCCCN	NSD	n-(3-aminopropyl)propane-1,3-diamine
+c1cc(cc(c1)c2nc(no2)c3cccnc3)C#N	NSE	3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
+C[C@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O	NSG	(2s,3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1h-pyrano[3,2-d][1,3]thiazole-6,7-diol
+COc1ccc(cc1)c2c3ccccc3n(c2C(=O)NS(=O)(=O)c4ccccc4)Cc5cccc(c5)C(F)(F)F	NSI	3-(4-methoxyphenyl)-n-(phenylsulfonyl)-1-[3-(trifluoromethyl)benzyl]-1h-indole-2-carboxamide
+c1cc(cc(c1)O)CN2CCSCC2	NSJ	3-[(thiomorpholin-4-yl)methyl]phenol
+C(CCN)C[C@@H](C(=O)O)NC(=O)CCC(=O)O	NSK	n-succinyl lysine
+c1ccc(cc1)/N=N/c2ccc(cc2)O	NSL	4-hydroxyazobenzene
+CN=O	NSM	nitrosomethane
+CC(=[NH+][C@@H](CC(=O)[O-])C(=O)N)C(=O)N	NSN	n~2~-(2-amino-1-methyl-2-oxoethylidene)asparaginate
+Cc1ncc(c(n1)N)CN	NSP	5-(aminomethyl)-2-methylpyrimidin-4-amine
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS(=O)(=O)O)O)O)O	NSQ	4-nitrophenyl alpha-d-6-sulfoquinovoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)N)[NH3+])O)O)N	NSS	5'-o-[n-(l-asparaginyl)sulfamoyl]adenosine
+c1cc(cc(c1)[N+](=O)[O-])NS(=O)(=O)c2ccsc2C(=O)O	NST	3-{[(3-nitroaniline]sulfonyl}thiophene-2-carboxylic acid
+Cc1ncc(s1)CN2CCNCC2	NSV	1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine
+[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6	NSX	n~2~,n~6~-bis(biphenyl-4-ylacetyl)-l-lysyl-d-arginyl-n-(2-phenylethyl)-l-tyrosinamide
+[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6	NSY	n~2~,n~6~-bis(biphenyl-4-ylacetyl)-l-lysyl-d-arginyl-n-(2-phenylethyl)-l-phenylalaninamide
+[H]/N=C(/N)\NCCCC(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)C(CSC)NC(=O)Cc3ccc(cc3)c4ccccc4	NSZ	n-(biphenyl-4-ylacetyl)-s-methyl-l-cysteinyl-d-arginyl-n-(2-phenylethyl)-l-phenylalaninamide
+Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=N)N)NC(=O)CNC(=N)N	NT	netropsin
+COC[C@@H]1C[C@@H]([C@H](C(O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC)OC)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OC)OC)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4C(O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@H]6C(O)O)O[C@@H]7[C@H](OC[C@@H]([C@H]7OC)OS(=O)(=O)O)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)COC)OC)OC	NT1	heparin heptasaccharide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	NT2	2,3,4,6-tetra-o-sulfohexopyranose
+[H]/N=C(\N)/c1ccc(cc1)Oc2cc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N/[H])/N	NT4	n-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide
+Cc1ccc(c(c1)C(=O)N2C[C@@H](CC[C@H]2C)COc3ccc(cn3)F)c4ncccn4	NT5	[(2~{r},5~{r})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone
+Cc1cccc(c1C)NC(=O)CN2CCOCC2	NT7	n-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
+CCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O	NT8	(1-azanyl-1-phosphono-decyl)phosphonic acid
+C(C(=O)O)N(CC(=O)O)CC(=O)O	NTA	nitrilotriacetic acid
+CC(C)(C)N	NTB	tertiary-butylamine
+C(C(=O)O)[C@@](C[N+](=O)[O-])(C(=O)O)O	NTC	2-hydroxy-2-nitromethyl succinic acid
+c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O	NTD	2-{hydroxy[2-nitro-4-(trifluoromethyl)phenyl]methylene}cyclohexane-1,3-dione
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)/C=C/[N+](=O)[O-])C)CCC(=O)O	NTE	[3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(e)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~}dipro panoato(2-)]iron
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(F)(F)F)O)O)O)O	NTF	n-(trifluoroacetyl)-beta-d-glucopyranosylamine
+c1cc(ncc1N2CCCOCC2)C#N	NTG	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@H]34	NTH	succinic acid mono-(13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl) ester
+CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-]	NTI	2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate
+CCO[P@H](=O)N(C)C	NTJ	r-ethyl n,n-dimethylphosphonamidate
+CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC	NTK	2,3-di(butanoyloxy)propyl butanoate
+CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)NC(=O)C)N	NTL	n-[(2s,3r)-2-{[(1r,2s,3s,4r,6s)-6-amino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2h-pyran-3-yl]acetamide
+c1cc(c(nc1)C(=O)O)C(=O)O	NTM	quinolinic acid
+c1cnccc1C(=N)N	NTN	isonicotinamidine
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O	NTO	trisulfoamino heparin pentasaccharide
+CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]4C(=O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O	NTP	heparin pentasaccharide
+Cc1c2c(n[nH]1)NC(=O)C=C2C3CCC(CC3)NC(=O)[C@@H]4CC4(F)F	NTQ	(1~{s})-2,2-bis(fluoranyl)-~{n}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide
+c1cc(c(cc1[C@H](C(=O)O)N)O)O	NTR	meta-hydroxy beta nor-tyrosine
+c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-]	NTS	naphthalene trisulfonate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)COP(=O)(O)O)O	NTT	[(1r,5r,7r,8s)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate
+CS/C(=N\CCCCCCCCCCCCCCN=C(N)SC)/N	NTU	n1,n14-bis((s-methyl)isothioureido)tetradecane
+Cc1c(cccc1Cl)NC(=O)[C@@H]2CCCO2	NTV	(2s)-n-(3-chloro-2-methylphenyl)oxolane-2-carboxamide
+Cc1c2c([nH]n1)NC(=O)C=C2C3CCC(CC3)CC#N	NTW	2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile
+[H]/N=C(\N)/c1cc(ccc1)COc2cc(cc(c2)C(=O)NC3CCC(CC3)N)OCc4cc(ccc4)/C(=N/[H])/N	NTX	n-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide
+c1cc(ccc1[C@H](C(=O)O)N)O	NTY	beta nor-tyrosine
+C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O	NTZ	nojirimycine tetrazole
+CC1=Nc2c(cccc2O)C(=O)N1	NU1	8-hydroxy-2-methyl-3-hydro-quinazolin-4-one
+CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c2coc(n2)C)C(=O)N3CCOCC3)C4Cc5ccccc5C4	NU2	(3~{r},6~{r})-6-[(2~{s})-butan-2-yl]-3-(2,3-dihydro-1~{h}-inden-2-yl)-1-[(1~{r})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione
+c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N	NU3	2-(4-hydroxyphenyl)-1h-benzimidazole-4-carboxamide
+Cc1c(cco1)C(=O)Nc2ccncc2	NU4	2-methyl-n-(pyridin-4-yl)furan-3-carboxamide
+c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)CCNCCCO	NU5	3-({2-[(4-{[6-(cyclohexylmethoxy)-9h-purin-2-yl]amino}phenyl)sulfonyl]ethyl}amino)propan-1-ol
+c1cc(cc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)C(=O)N	NU6	3-[[6-(cyclohexylmethoxy)-9~{h}-purin-2-yl]amino]benzamide
+CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3nc(on3)C(F)(F)F)c4nc(cs4)c5ccccc5	NU7	n-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
+COc1cc(cnc1OC)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F	NU8	2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
+c1ccc(cc1)c2csc(n2)C3(CCOCC3)CNC(=O)c4cccc(c4)c5nc(on5)C(F)(F)F	NU9	n-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2h-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
+CCn1cc(cn1)NC(=O)C2CCC2	NUA	n-(1-ethyl-1h-pyrazol-4-yl)cyclobutanecarboxamide
+CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCOCC4	NUB	1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one
+Cc1cc(c(cc1O)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3	NUD	4-[(e)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide
+Cc1cc(c(c(c1O)C)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3	NUE	4-[(e)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide
+c1cc2c(cc1OCCN3CCCCC3)O[Ni]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F	NUF	[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa o}(2-)]nickel (ii)
+C1CN(CCC1O)CC2=CCSC2	NUG	1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol
+CN1C=C(C=CC1=O)c2cccc(c2)OC	NUH	5-(3-methoxyphenyl)-1-methyl-pyridin-2-one
+Cc1cc(nc(n1)C)N(C)C2CC(C2)O	NUJ	trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
+c1csc2c1sc(c2)C(=O)O	NUK	thieno[3,2-b]thiophene-5-carboxylic acid
+c1ccnc(c1)C(=O)NCCc2ccc(cc2)O	NUM	n-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	NUP	6-aminouridine 5'-monophosphate
+CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F	NUQ	5-[5-(4-fluorophenyl)-1~{h}-imidazol-4-yl]-1-methyl-pyridin-2-one
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC	NUT	4-({(4s,5r)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one
+Cc1cc(cc(c1O)C)c2nc3cc(ccc3n2CC4CCN(CC4)C(=O)C)C(=O)NC	NUW	2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{n}-methyl-benzimidazole-5-carboxamide
+CC(C)N1CCN(CC1)C(=O)c2cccs2	NUY	[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
+Cc1c(c(no1)c2ccccc2)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]	NUZ	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
+Cc1cccc(c1N(C(C)C)C(=O)CN)C	NV1	2-azanyl-~{n}-(2,6-dimethylphenyl)-~{n}-propan-2-yl-ethanamide
+CC1=CC(=CN(C1=O)C)c2nc3cc(ccc3n2C(COC)COC)N4CCOCC4	NV2	5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one
+COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@H]5[C@@H]2C(=O)OC5)Sc6[nH]cnn6)OCO4	NV4	(5r,5ar,8as,9r)-9-[(4h-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one
+Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4ccc(cc4)Oc5ccccn5	NV5	2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{n}-(4-pyridin-2-yloxyphenyl)ethanamide
+CS(=O)(=O)N1CCN(CC1)Cc2ccco2	NV7	1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine
+c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4	NV8	2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole
+CCC[C@@H](C(=O)O)N	NVA	norvaline
+CNS(=O)(=O)c1ccc(cc1)c2cccc3c2nc(cn3)c4cc(c(c(c4)OC)OC)OC	NVB	n-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide
+CCCC[C@H](CN(C=O)O)C(=O)N1CCC[C@H]1c2nc3ccccc3o2	NVC	n-[(2r)-2-{[(2s)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-n-hydroxyformamide
+CN(C)c1ccc(cc1)CNn2cnnc2	NVD	n-{[4-(dimethylamino)phenyl]methyl}-4h-1,2,4-triazol-4-amine
+CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCc4ccc(cc4)OCP(=O)(OCC)OCC)C	NVE	diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate
+c1ccc2c(c1)[nH]c(n2)CCC(=O)NC[C@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O	NVG	4-amino-1-(5-{[3-(1h-benzimidazol-2-yl)propanoyl]amino}-5-deoxy-alpha-l-lyxofuranosyl)pyrimidin-2(1h)-one
+CS(=O)(=O)c1cc(cnc1)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F	NVH	2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
+C=C[n+]1cc[nH]c1	NVI	1-vinylimidazole
+CCOC(=O)NCc1ccccc1	NVJ	ethyl benzylcarbamate
+Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4	NVK	1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
+C[C@H]1CCN(C=CC1)C(=O)c2cscn2	NVM	[(4r)-4-methyl-2,3,4,5-tetrahydro-1h-azepin-1-yl](1,3-thiazol-4-yl)methanone
+Cc1cc(c2cc(cc(c2n1)F)F)NC(=O)Nc3ccc(cc3)N(C)C	NVN	1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea
+Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4	NVP	11-cyclopropyl-5,11-dihydro-4-methyl-6h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
+CNCCCNC1=C(C(=O)NC(=O)N1Cc2ccc(cc2)Br)N(C)S(=O)(=O)c3ccccc3	NVQ	~{n}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide
+COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O	NVS	7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2h-1,3-benzoxazin-2-one
+c1ccc2c(c1)c(no2)CC(=O)O	NVU	2-(1,2-benzoxazol-3-yl)ethanoic acid
+c1cc(cc(c1)I)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O	NVV	7-[(3s,4r)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one
+CC(C)(C)NC(=O)Cc1ccc(cc1)Nc2c3c(nc(n2)c4ccccc4)CCCS3(=O)=O	NVW	n-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6h-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide
+c1cc(cc(c1)Cl)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O	NVX	7-[(3s,4r)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one
+CCN1CCC(CC1)Nc2ccccc2F	NVY	1-ethyl-n-(2-fluorophenyl)piperidin-4-amine
+CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O	NVZ	5-[(3as,4s,6ar)-1-acetyl-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid
+C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O	NW1	6-cyclohexylmethyloxy-5-nitroso-pyrimidine-2,4-diamine
+CC(C)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)CCOc4c(cccc4OC)C(=O)O	NW2	2-[2-[3-[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid
+C1CCC(CC1)CCC(=O)N2CCOCC2	NW4	3-cyclohexyl-1-(morpholin-4-yl)propan-1-one
+CC(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)COc4ccccc4CC(=O)O	NW5	2-[2-[[3-[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid
+CCc1c(c(on1)C)C(=O)Nc2cc(on2)C	NW7	3-ethyl-5-methyl-n-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
+c1ccc(cc1)c2cn3cccc(c3n2)c4ccc(cc4)Cl	NW8	8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine
+CC(CCC[N+](C)(C)C)(O)O	NWA	4,4-dihydroxy-n,n,n-trimethylpentan-1-aminium
+CC(=O)CCC[N+](C)(C)C	NWB	n,n,n-trimethyl-4-oxopentan-1-aminium
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-]	NWD	3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine
+c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c3)CNCC4	NWE	2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid
+C(CC(=O)C(=O)O)CN=C(N)N	NWG	5-[(diaminomethylidene)amino]-2-oxopentanoic acid
+CCCCC[C@H](C)NC=O	NWH	n-[(2s)-heptan-2-yl]formamide
+c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N)C#N)C=O	NWJ	2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCCN4CCOCC4)Cl)Cl	NWK	2-[[3,4-bis(chloranyl)-5-methyl-1~{h}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid
+CCNC1=C(N(C(=O)NC1=O)Cc2ccccc2)N	NWL	6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1h,3h)-dione
+CCC(=O)O[C@H](CCOCc1ccccc1)[C@@H](C)[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)CCN(C)C=O)OC(=O)C)O	NWM	(3r,4s,5r,6s,10r,11r,12r)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate
+[H-]([Fe](CO)(C#N)C#N)[Ni+2]	NWN	hydrido[hydridonickel(2+)]bis(hydrocyanato-1kappac)(hydroxymethyl)iron
+C[C@@H]1CN(CCO1)S(=O)(=O)N(C)C(C)C	NWP	(2r)-n,2-dimethyl-n-(propan-2-yl)morpholine-4-sulfonamide
+CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	NWQ	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-~{n}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C5=C([C@H]6[C@@H](O4)NC7=C(N6)C(=O)NC(=N7)N)S[Mo](=O)(S5)(O)O)O)O)N	NWS	moco-amp
+CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C	NWT	n-[(2s)-3-(3,5-difluorophenyl)-1-[[(3s,9s,13s,15r,19s,22s)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide
+Cn1cc(cn1)CNC(=O)c2ccco2	NWV	n-[(1-methyl-1h-pyrazol-4-yl)methyl]furan-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)N)O)O)N	NWW	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide
+Cc1ccc(cn1)CNC(=O)C2CCC2	NWY	n-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NC4CCNCC4)O)O)N	NWZ	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-piperidin-4-yl-oxolane-2-carboxamide
+c1cc(c(cc1CSc2ccsc2C(=O)O)Br)Cl	NX1	3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid
+CS(=O)(=O)NC(=O)c1c(ccs1)SCc2ccc(c(c2)Cl)Cl	NX2	3-[(3,4-dichlorobenzyl)sulfanyl]-n-(methylsulfonyl)thiophene-2-carboxamide
+c1cc(cc(c1)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl)N	NX3	n-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide
+COc1ccc(cc1C(=O)O)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl	NX4	5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid
+c1ccc(c(c1)C(=O)O)SCc2ccc(c(c2)Cl)Cl	NX5	2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid
+c1ccc(cc1)COC(=O)N[C@@H](CC(=O)O)C(=O)O	NX6	n-[(benzyloxy)carbonyl]-l-aspartic acid
+c1cc(c(c(c1)F)C(=O)N2CCCC2)F	NX7	(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCC4CCNCC4)O)O)N	NX8	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-(piperidin-4-ylmethyl)oxolane-2-carboxamide
+C[C@@H](C(=O)O)NC(=O)O	NXA	n-carboxyalanine
+c1nc(c2c(n1)n(cn2)C[C@@H]3[C@@H]([C@@H]([C@@H](CO3)N)O)O)N	NXB	(2~{r},3~{r},4~{r},5~{r})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol
+CCO[P@@](=O)(CCCc1cc2c3c(c1)C[N]([Pt]3([N](C2)(C)C)Cl)(C)C)Oc4ccc(cc4)[N+](=O)[O-]	NXC	(2,6-bis[(dimethylamino-kappan)methyl]-4-{3-[(s)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappac~1~)(chloro)platinum(2+)
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)C(=O)N)O)O)(C(=O)O)OC)O	NXD	methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+CC(=O)Nc1cc(no1)C(F)(F)F	NXE	~{n}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCO	NXG	2-{[4-(diethylamino)piperidin-1-yl]methyl}-4-(3-hydroxyprop-1-yn-1-yl)-6-iodophenol
+CC(C)NC(=O)Nc1ccncc1	NXH	1-propan-2-yl-3-pyridin-4-yl-urea
+CC1(C[C@@H]1C(=O)N(C)c2cccnc2)C	NXJ	(1s)-n,2,2-trimethyl-n-(pyridin-3-yl)cyclopropane-1-carboxamide
+B(c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)(O)O	NXK	2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N	NXL	(2s,5r)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
+C1CC1c2nc(on2)CC3CCNCC3	NXM	4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
+c1cc(c(cc1Cl)Cl)OCC(=O)NCCS	NXN	2-(2,4-dichloro-phenoxy)-n-(2-mercapto-ethyl)-acetamide
+C/C(=N\NC(=N)N)/c1ccc(cc1)NC(=O)c2c[nH]c3c2cccc3	NXP	n-{4-[(1e)-n-carbamimidoylethanehydrazonoyl]phenyl}-1h-indole-3-carboxamide
+C[S-](c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)O	NXQ	2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid
+c1cnc(nc1)N2CCC(CC2)CO	NXS	[1-(pyrimidin-2-yl)piperidin-4-yl]methanol
+c1c(c2c(o1)CCCC2)C(=O)O	NXT	4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@H](CO)NC(=O)c2c3ccccc3ccc2O)C(=O)O)C	NXU	(2r,4s)-2-[(1r)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1cc(c(cc1CSc2cc(ccc2C(=O)O)C#CCCO)Cl)Cl	NXV	2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid
+CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(c(c2)SCc3ccc(c(c3)Cl)Cl)C(=O)O	NXW	2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({n-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O	NXX	1-[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-3-carboxypyridinium
+c1cc(c(cc1CSc2ccsc2C(=O)O)Cl)Cl	NXY	3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid
+c1ccc(cc1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N4CCCCC4=O)N	NXZ	1-[(3s,4s)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one
+Cc1nc(cs1)CC(=O)N2CCOCC2	NY1	2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one
+c1c(c(n[nH]1)C2=CN3C(=C(C(=O)N3)Br)N=C2)[N+](=O)[O-]	NY2	3-bromo-6-(4-nitro-1h-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1h)-one
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCOC(=O)NCc3cccc(c3)c4cnc[nH]4	NY3	2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{n}-[[3-(1~{h}-imidazol-5-yl)phenyl]methyl]carbamate
+C[C@@H](c1ccc(cc1)NC(=O)C2CC2)N	NY4	n-{4-[(1s)-1-aminoethyl]phenyl}cyclopropanecarboxamide
+c1cc2c(cc1C(=O)O)CCCC2	NY5	5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)C4(CCN(CC4)C(=O)c5cnc[nH]5)NC3=O	NY6	3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{h}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
+Cc1ccc(c(c1)NC(=O)CN)OC	NY7	n-(2-methoxy-5-methylphenyl)glycinamide
+CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccc5ccccc5c4)OC)OC	NY8	~{n}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{n}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCNC(=O)NCc3cccnc3	NY9	n-{2-[7-(diethylamino)-4-methyl-2-oxo-2h-1-benzopyran-3-yl]ethyl}-n'-[(pyridin-3-yl)methyl]urea
+C[C@H](\C=C\[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	NYA	(1r,3r,7e,17beta)-17-{(1r,2e,4r)-4-hydroxy-1-methyl-4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CC[C@@H](C)SC[C@@H](C(=O)O)NC	NYB	n-methyl-s-[(1r)-1-methylpropyl]-l-cysteine
+C[C@H]([C@@H](C1=N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1CC(=O)O)N)O	NYC	[(4e)-2-[(1r,2s)-1-amino-2-hydroxypropyl]-4-(1h-indol-3-ylmethylene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1ccc2cc(c(cc2c1)C(=O)O)N	NYE	3-azanylnaphthalene-2-carboxylic acid
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC(=O)N)N)CC(=O)O)O	NYG	[(4z)-2-[(1s)-1,3-diamino-3-oxopropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C1CCC(=CC1)[N+](=O)[O-]	NYH	1-nitrocyclohexene
+Cc1cccc2c1C(=C(NC2=O)c3ccccc3)C	NYJ	4,5-dimethyl-3-phenylisoquinolin-1(2h)-one
+c1ccc2c(c1)[C@@H](C(=O)N2)CC#N	NYK	[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]acetonitrile
+C=CCNc1ccccc1	NYL	n-allyl-aniline
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N	NYM	3'-deoxy-3'-aminothymidine monophosphate
+C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4	NYN	chlorido(1,2-diaminoethane-k2n,n')(1,4,7-trithiacyclononane-k3s,s',s'')ruthenium(ii) trifluoromethanesulfonate
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)[C@]4(CCN(C4)C(=O)c5c[nH]cn5)NC3=O	NYO	(5~{r})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{h}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
+C/[N+](=C\C=C)/CC1CCC=CC1	NYP	n-[(e)-methyl](phenyl)-n-[(e)-2-propenylidene]methanaminium
+c1cc2c(cc1Br)CC(=O)N2	NYQ	5-bromanyl-1,3-dihydroindol-2-one
+c1c(cc(c(c1O)O)SC[C@@H](C(=O)O)N)[C@H](CN)O	NYS	s-{5-[(1r)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-l-cysteine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O	NYT	beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl alpha-d-glucopyranoside
+CC(C)n1cc(nc1)S(=O)(=O)N	NYV	1-(propan-2-yl)-1h-imidazole-4-sulfonamide
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N)N	NYW	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NC(=O)N=C2N	NYZ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+COc1ccc2c(c1)nc(s2)N	NZ1	5-methoxy-1,3-benzothiazol-2-amine
+C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C	NZ2	n-(methylsulfonyl)-n-phenyl-l-alanine
+C[C@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C	NZ3	n-(methylsulfonyl)-n-phenyl-d-alanine
+CC(=O)c1cccc(c1)NC(=O)N2CCOCC2	NZ4	n-(3-acetylphenyl)morpholine-4-carboxamide
+CC[C@H](CO)O	NZ5	(2~{r})-butane-1,2-diol
+CN(C)C(=O)N1CCOC[C@]12CCOC2	NZ7	(5r)-n,n-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide
+c1cc2c(nc1)Oc3cc(ccc3N(C2=O)c4ccncc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl	NZ8	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea
+c1csc(c1S(=O)(=O)NC2CC2)C(=O)O	NZ9	3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid
+c1ccc(cc1)Sc2c3cc(ccc3n(c2C(=O)O)Cc4ccc(cc4)Cl)Cl	NZA	5-chloro-1-(4-chlorobenzyl)-3-(phenylthio)-1h-indole-2-carboxylic acid
+CN(C)Cc1c2cc(ccc2n[nH]1)c3ccc(cc3OCCc4cccnc4)F	NZB	[(5-{4-fluoro-2-[2-(pyridin-3-yl)ethoxy]phenyl}-1h-indazol-3-yl)methyl]dimethylamine
+C[C@H]([C@@H](C(=O)O)NC)O	NZC	n-methylidene-l-threonine
+CN1CCN(CC1)C(=O)Nc2ccccc2	NZD	4-methyl-n-phenylpiperazine-1-carboxamide
+CN(C)Cc1c2cc(ccc2[nH]n1)c3ccc(cc3OCCn4ccnc4)F	NZE	[(5-{4-fluoro-2-[2-(1h-imidazol-1-yl)ethoxy]phenyl}-1h-indazol-3-yl)methyl]dimethylamine
+COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCC[C@@H](C3)C(=O)NCc4cccc(c4)OC(F)(F)F	NZF	(3s)-n-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide
+CC(=O)Nc1cc(ccc1F)C(=O)O	NZG	3-(acetylamino)-4-fluorobenzoic acid
+c1c(ncn1c2[nH]nnn2)C[C@@H](C=O)N	NZH	(2s)-2-amino-3-[1-(1h-tetraazol-5-yl)-1h-imidazol-4-yl]propanal
+c1ccc2c(c1)NC(=O)N2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	NZI	[(2~{r},3~{s},5~{r})-3-oxidanyl-5-(2-oxidanylidene-3~{h}-benzimidazol-1-yl)oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
+Cc1cccc(c1)C(=O)N2CCC(CC2)C(=O)N	NZJ	1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide
+c1ccc2c(c1)C[C@@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN	NZL	5-[[(1s,2s)-2-(6-azanylhexanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
+C=CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)O	NZM	cefixime, bound form
+CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2	NZN	n-ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide
+COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3	NZO	nocodazole
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(C[C@@H]([C@@H]5O)O)C(=O)N)O)O)O)OP(=O)(O)O)N	NZQ	5,6-dihydroxy-nadp
+Cn1c2c(cn1)c(nc(n2)N3CCS(=O)(=O)CC3)Nc4cccc(c4)OC	NZS	6-(1,1-dioxidothiomorpholin-4-yl)-n-(3-methoxyphenyl)-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)c5cnccn5	NZT	n-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide
+Cn1c2c(cn1)c(nc(n2)c3cccc4c3c[nH]n4)NCCCS(=O)(=O)C	NZU	6-(2h-indazol-4-yl)-1-methyl-n-[3-(methylsulfonyl)propyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CN1C(=NC(=O)C(=O)N1)SCC2=C(N[C@H](SC2)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c3csc(n3)N)C(=O)O	NZV	ceftriaxone, bound form
+C[C@@H](c1ccc(cc1)OC)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)c3ccc4ccccc4n3	NZW	~{n}-[2-[(2~{s})-2-[[(1~{s})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
+CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)COC[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O	NZY	n-[(3s,4r,5s,6r)-4,5-dihydroxy-6-({[(2s,3s,4s,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2h-pyran-3-yl]acetamide (non-preferred name)
+CC(=CCC/C(=C\CO)/C)C	NZZ	(2z)-3,7-dimethylocta-2,6-dien-1-ol
+O	O	oxygen atom
+Cc1c(sc(n1)C)c2cc([nH]n2)CN	O01	[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1h-pyrazol-3-yl]methanamine
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NN)N	O02	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+[H]/N=C(/c1ccc(cc1)/C=N/O[C@H]2CCCCO2)\N	O04	(e)-4-((tetrahydro-2h-pyran-2-yloxyimino)methyl)benzimidamide
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N4CC[NH2+]CC4)N	O05	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-piperazin-4-ium-1-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+C[C@@H](c1ccc(cc1Cl)OC)NC(=O)[C@@H]2C[C@H](CN2C(=O)CNC(=O)c3ccc4cc(ccc4n3)F)O	O08	~{n}-[2-[(2~{s},4~{r})-2-[[(1~{s})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide
+[H]/N=C(/c1ccc(cc1)/C=N/OCC(=O)O)\N	O09	(e)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid
+Cc1ccc(cc1)[C@H]2c3c(nn(c3NC(=O)[C@H]2NC(=O)c4cccc(c4)C)c5ccccc5)C	O0A	3-methyl-n-[(4s,5s)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]benzamide
+C[C@@H](CC(F)(F)F)[C@@H](C=O)N	O0B	(2~{s},3~{s})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl	O0D	(2r)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid
+C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2c[nH]cn2)NC(=O)c3cc4ccccc4cc3N	O0E	(2~{s})-1-[(2~{s})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{h}-imidazol-4-yl)propanoyl]-~{n}-[(2~{s})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide
+C[C@@H](CO)Nc1c(cc(cn1)Cl)F	O0G	(2s)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol
+CC(=O)Nc1ccc(cc1)c2csc(n2)N	O0J	n-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
+CC(C)c1ccc(cc1)CN2CCC(CC2)O	O0M	1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol
+CN(Cc1cccc(c1)F)S(=O)(=O)N	O0P	n-[(3-fluorophenyl)methyl]-n-methylsulfuric diamide
+c1cn(nn1)CCNC(=O)C23C4C5C2C6C5C4C36	O0Q	~{n}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide
+CC(=O)Nc1ccc(cc1)Oc2ncccn2	O0S	n-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide
+C[C@@H](CO)N(C)c1c(cccn1)F	O0V	(2s)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol
+Cc1cc(cc2c1nn(c2)C3CCNCC3)C4=CN(C(=O)c5c4occ5)C	O0W	5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one
+CCN(CC)c1cccc(c1)O	O0Y	3-(diethylamino)phenol
+CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCC[C@H]3CCCN(CC3)Cc4ccccc4	O0Z	(2~{s})-2-(butylamino)-3-(1~{h}-indol-3-yl)-~{n}-[2-[(4~{r})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide
+CCC(CC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O	O11	(2s)-3-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)pentan-3-yl]phenoxy}propane-1,2-diol
+CCCCCCCCCCCC(=O)NCCC[C@@H](C(=O)O)N	O12	n~5~-dodecanoyl-l-ornithine
+[H]/N=C(/c1ccc(cc1)/C=N/O[C@@H]2CCCN(C2)C)\N	O13	(e)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide
+[H]/N=C(/c1ccc(cc1)/C=N/OC2CCN(CC2)C)\N	O14	(e)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide
+[H]/N=C(/c1ccc(cc1)/C=N/OC(C)(C)C(=O)O)\N	O15	(e)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid
+c1ccc(cc1)\C=C\c2nn([n+](n2)c3ccc4c(c3)C(=O)NNC4=O)c5nc6ccccc6s5	O16	3-(1,3-benzothiazol-2-yl)-2-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(e)-2-phenylvinyl]-3h-tetraazol-2-ium
+COCCNC(=O)/C=C/c1ccc(cc1OCC#N)Nc2cc(c(c(n2)NC34CC5CC(C3)CC(C5)C4)C#N)N	O17	(2e)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-n-(2-methoxyethyl)prop-2-enamide
+CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C=O)N	O18	[(2~{s})-2-azanyl-3-oxidanylidene-propyl] (~{z})-hexadec-9-enoate
+c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)NC(=O)[C@H]5CCCN5	O19	(2r)-n-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
+CC(=O)Nc1ccc(cc1)N2CCN(CC2)C	O1A	n-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
+C(CNC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N	O1B	(2r,3r,4s)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCCO)O)C	O1C	2alpha-(3-hydroxypropyl)-1alpha,25-dihydroxyvitamin d3
+c1ccc(cc1)COc2cccc(c2)N	O1D	3-(benzyloxy)aniline
+CCc1nnc(s1)NCc2ccc3c(c2)cc[nH]3	O1E	5-ethyl-n-(1h-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O)COP(=O)(O)O)O)O	O1G	3-deoxy-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-o-phosphono-alpha-d-gluco  pyranose
+c1cc(ccc1Cn2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5)C#N	O1H	4-[[5-[7-chloranyl-3-(1~{h}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile
+c1ccc(cc1)COCC(=O)O	O1J	(benzyloxy)acetic acid
+c1cc(ccc1N2CCN(CC2)C(=O)N)F	O1M	4-(4-fluorophenyl)piperazine-1-carboxamide
+CC(C)C12[C]3[Os]1456([C]3C4([C]5[C]62)C)(C7=[N](c8ccccc8N7C)C)(Cl)Cl	O1N	dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(ii)
+Cc1cccc(c1)n2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5	O1Q	4-chloranyl-1-(1~{h}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
+Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)CN4CCCC4	O1S	6-(5-methyl-1h-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3h)-one
+C[C@@H](c1ccc(cc1)F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl	O1T	[[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-[[(1~{s})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)[C@@H]4CC5CCN4CC5	O1V	2-[(2s)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1h-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3h)-one
+Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)COC)N5CCOC[C@@H]5C	O1W	6-[1-[(2~{s})-1-methoxypropan-2-yl]-6-[(3~{s})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{n}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
+CN(c1cc(ncn1)Nc2c(cn(n2)CCO)NC(=O)C=C)C(=O)Nc3c(c(cc(c3Cl)OC)OC)Cl	O1Y	n-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1h-pyrazol-4-yl}prop-2-enamide
+c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)NC4CCCCC4)N	O1Z	[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone
+O=O	O2	oxygen molecule
+CN1CCN(CC1)CCCN(c2cc(ncn2)Nc3ccccc3NC(=O)C=C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl	O21	n-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide
+CCOc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N	O22	4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide
+c1cc(sc1)CNc2c3ncc(n3ccn2)c4ccc(cc4)C(=O)NC5CC5	O23	n-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
+CCNCc1cn(nc1C(F)(F)F)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N	O25	2-[({4-[(ethylamino)methyl]-3-(trifluoromethyl)-1h-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CC(C)(C)c1c(cn(n1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)CNC	O26	2-[({3-tert-butyl-4-[(methylamino)methyl]-1h-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N[C@@H]5CCNC5)C(F)(F)F)C1	O27	n-[(3r)-pyrrolidin-3-yl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N)C(F)(F)F)C1	O28	2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CN(C)CCNC(=O)c1c2c(sc1NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4)CCCC2	O29	n-[2-(dimethylamino)ethyl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CNC(=O)c1cccc2c1[nH]cc2	O2A	n-methyl-1h-indole-7-carboxamide
+Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)c5ccccc5)N6CCOC[C@@H]6C	O2B	3-methyl-6-[6-[(3~{s})-3-methylmorpholin-4-yl]-1-[(1~{s})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{n}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
+C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)COP(=O)(O)O	O2C	3'-deoxy-cytidine-5'-monophosphate
+c1nncn1NC(=O)CC2CCCCC2	O2D	2-cyclohexyl-n-(4h-1,2,4-triazol-4-yl)acetamide
+C[C@@H]1[C@@H](N=C(C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)OC[C@H](C=O)N	O2E	(2~{s},3~{r})-2-[(2~{s},3~{r})-1-[(2~{r})-2-azanyl-3-oxidanylidene-propoxy]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CN(C)C1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	O2G	2'-deoxy-n,n-dimethyl-5'-o-[oxido(oxo)phosphonio]guanosine
+CCCC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC	O2H	~{n}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
+COC[C@H]1CN(CCO1)c2ccccn2	O2J	(2r)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine
+CCC(=O)NCc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)C	O2K	~{n}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide
+Cc1csc(n1)CNC(=O)c2ccn[nH]2	O2M	n-[(4-methyl-1,3-thiazol-2-yl)methyl]-1h-pyrazole-5-carboxamide
+COc1ccc(cc1)C(c2ccc(cc2)OC)NC(=O)c3ccccc3CN(CC=C)Cc4ccc5c(c4C(=O)O)OCO5	O2N	5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid
+Cc1ccc(c(c1)O)NC(=O)c2ccccc2C	O2P	n-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
+Cc1nnc2n1nc(cc2)N(C)Cc3ccc(c(c3)F)F	O2Q	~{n}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{n},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
+C[C@@H]([C@H](CC(C)C)C(=O)O)S	O2S	(2~{r})-4-methyl-2-[(1~{s})-1-sulfanylethyl]pentanoic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C(=O)O)(O)O)CCOP(=O)(O)OP(=O)(O)[O-]	O2T	[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[1,1,2-tris(oxidanyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate
+C[C@H]([C@@H](CC(C)C)C(=O)O)S	O2V	(2s)-4-methyl-2-[(1r)-1-sulfanylethyl]pentanoic acid
+COC(=O)COC(=O)NC12CCC(CC1)[C@@H]3[C@H]2C(=O)N(C3=O)c4ccc(cc4)N	O2W	methyl ({[(3ar,4r,7r,7ar)-2-(4-aminophenyl)-1,3-dioxooctahydro-4h-4,7-ethanoisoindol-4-yl]carbamoyl}oxy)acetate
+c1cc(c(nc1)C(=O)O)SCC(=O)O	O2Y	3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)NN	O2Z	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxyphosphinic acid
+C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)NCCCN)C(F)(F)F)C1	O30	n-(3-aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5OC/C=C/C(c6c(nc7ccccc7n6)O4)(F)F)C(C)(C)C	O31	(3ar,7s,10s,12r,21e,24ar)-7-tert-butyl-n-[(1r,2r)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1h,10h-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide
+Cc1nnc2n1cc(cc2)c3cc4c(cccn4)c(c3)O[C@H](C)[C@@H]5CC(=O)NC5	O32	(4~{r})-4-[(1~{r})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C	O33	(4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-s-methyl- l-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+C[C@@]1(CSC(=N1)C(C)(C)[C@@H]([C@@H]2CS[C@@H](N2)[C@H]3CSC(=N3)c4ccccc4O)O)C(=O)O	O34	yersiniabactin
+Cc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)CN(C)C	O35	~{n}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
+CCN1c2c(c(nn2[C@H]3CCC=CC3)C)[C@@H]([C@@H](C1=O)NC(=O)c4cccc(c4)C)c5ccc(cc5)F	O37	n-[(4s,5s)-1-[(1s)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide
+Cn1cc(cn1)c2ccc(cc2OCC#N)Nc3ccc(c(n3)NC4CCCCC4)C#N	O38	6-{[3-(cyanomethoxy)-4-(1-methyl-1h-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile
+CN(c1ccccc1)C(=O)[C@H]2CCNC2	O3A	(3s)-n-methyl-n-phenylpyrrolidine-3-carboxamide
+B(c1ccc(cc1)S(=O)(=O)N)(O)O	O3B	(4-sulfamoylphenyl)boronic acid
+c1cc(oc1)CN2CCS(=O)(=O)CC2	O3D	4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione
+CC#CC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC	O3E	~{n}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
+c1ccc(cc1)CNCc2ccc(cc2)F	O3G	n-benzyl-1-(4-fluorophenyl)methanamine
+c1ccc2c(c1)C(=O)NC(=N2)SCCN3CCN(CC3)c4ccccn4	O3H	2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{h}-quinazolin-4-one
+CC(=O)N1CCN(CC1)CCCc2ccccc2	O3J	1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one
+c1ccc2c(c1)CCN(C2)Cc3ccc(cc3)O	O3M	4-[(3,4-dihydroisoquinolin-2(1h)-yl)methyl]phenol
+C=CCN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	O3N	(2s)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CN(CCN)Cc1c[nH]cc1c2cccc(c2)NC(=O)C=C	O3P	n-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1h-pyrrol-3-yl)phenyl]prop-2-enamide
+CCC(=O)Nc1cccc(c1)c2c[nH]cc2CN(C)CCN	O3S	n-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1h-pyrrol-3-yl)phenyl]propanamide
+CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C	O3V	3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one
+CN(CCS)C(=O)c1ccccc1	O3W	~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide
+CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5ccccc5Cl)C(=O)C1)C	O3Y	4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CO)C(=O)O)O	O3Z	(2~{r})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid
+CCCc1c(ccc2c1onc2C(F)(F)F)OCCCN(C)C(=O)Nc3ccc(cc3)C(=O)O	O40	4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid
+CS(=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3	O41	5-cyclopropyl-n-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
+c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N	O42	4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide
+c1cc(ccc1c2cnc3n2nc(cc3NCC4CCOCC4)NC5CCCCC5)C(=O)NC6CC6	O43	4-{6-(cyclohexylamino)-8-[(tetrahydro-2h-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-n-cyclopropylbenzamide
+C#CCNC(=O)c1cc(nc(n1)N2CCN(CC2)Cc3ccc(cc3)S(=O)(=O)F)Nc4cc(n[nH]4)C5CC5	O44	4-[(4-{4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride
+CC(=C)CONC(=O)C(=O)O	O45	2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid
+[H]/N=C/c1nc(cc(n1)c2cc(cc(c2)C(F)(F)F)C(=O)N(C)C)CCC	O47	3-{2-[(e)-iminomethyl]-6-propylpyrimidin-4-yl}-n,n-dimethyl-5-(trifluoromethyl)benzamide
+CCCCCCCCCCOS(=O)(=O)N	O48	decyl sulfamate
+Cc1ccc2c(c1)-c3c(cnn3CC(=O)Nc4ccc5c(c4)OCCO5)CO2	O4A	n-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4h)-yl)acetamide
+C1COCCOCCOCCOCCOCCO1	O4B	1,4,7,10,13,16-hexaoxacyclooctadecane
+Cc1cc(nc2c1c(nn2CC(=O)NCCCN3CCOCC3)n4cccc4)C	O4D	2-[4,6-dimethyl-3-(1h-pyrrol-1-yl)-1h-pyrazolo[3,4-b]pyridin-1-yl]-n-[3-(morpholin-4-yl)propyl]acetamide
+CN(CCS)C(=O)c1cccc(c1)Br	O4E	3-bromanyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide
+c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c3)OCCO4	O4G	n-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
+[OH2][Mn+2]([OH2])([OH2])[OH2]	O4M	manganese tetrahydrate ion
+CCC[C@@H](c1ccc(cc1)OC)NC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4	O4N	5-[[[2-[[(1s)-1-(4-methoxyphenyl)butyl]carbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+CN([C@@H](c1cccs1)c2c[nH]c3c2cccc3)C(=O)COc4ccccc4OC	O4P	n-[(r)-(1h-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-n-methylacetamide
+C/C(=C\Cl)/CC=O	O4Q	(~{e})-4-chloranyl-3-methyl-but-3-enal
+CCc1ccc(cc1)CNC(=O)CN2c3cc(ccc3N4CCCC[C@@H]4C2=O)C(=O)N5CCCC5	O4S	n-[(4-ethylphenyl)methyl]-2-[(6ar)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5h-pyrido[1,2-a]quinoxalin-5-yl]acetamide
+C[C@H](c1cc(cnc1)N2C(=O)c3ccc(cc3C2(C)C)Cl)NS(=O)(=O)C	O4T	~{n}-[(1~{r})-1-[5-(6-chloranyl-1,1-dimethyl-3-oxidanylidene-isoindol-2-yl)pyridin-3-yl]ethyl]methanesulfonamide
+CCOc1ccccc1n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C)N	O4V	1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1h-1,2,3-triazol-5-amine
+CC1(c2cc(ccc2C(=O)N1c3cc(cnc3)OC4CN(C4)C(=O)c5cnn(c5)C)Cl)C	O4W	5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one
+C[C@H](C(=O)O)N1C=Nc2ccccc2C1=O	O4Y	(2r)-2-(4-oxoquinazolin-3(4h)-yl)propanoic acid
+c1ccc(c(c1)CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F	O4Z	1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea
+c1cc(c(cc1NC(=O)[C@H]2CCCN(C2)C(=O)NCCN)F)Cl	O51	(3s)-n~1~-(2-aminoethyl)-n~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide
+CC(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2	O53	(2s)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1h-pyrido[2,3-d]pyrimidin-4-one
+CCNC(=O)Nc1cc2c(ccc(c2cn1)C)c3ccnc(c3)C	O54	1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
+c1cc(ccc1NC(=O)NCCNCc2ccc(cc2O)Br)S(=O)(=O)N	O55	1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea
+c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F	O57	10-benzyl-2-fluoro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
+c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CC(=O)O)NC(=O)CCc3cc(ccc3n4cnnn4)Cl	O58	{4-[(n-{3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]propanoyl}-l-phenylalanyl)amino]phenyl}acetic acid
+C(CCCCOS(=O)(=O)N)CCCOS(=O)(=O)N	O59	octane-1,8-diyl disulfamate
+c1cc(ccc1[C@@]2(CCN(C2)C(=O)C3CCC(CC3)C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(C(F)(F)F)(C(F)(F)F)F	O5A	trans-4-{(3r)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid
+c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C5CCC(CC5)C(=O)O	O5B	trans-4-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
+Cc1cc(ncc1N)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4c(cccc4Cl)OC	O5D	[3-(5-amino-4-methylpyridin-2-yl)-1h-pyrazol-5-yl]{(3r)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone
+c1ccc(cc1)[C@H](C(=O)Nc2[nH]nnn2)Nc3ccccc3	O5E	(2r)-2-phenyl-2-(phenylamino)-n-(1h-tetrazol-5-yl)acetamide
+Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4ccccc4OC	O5G	{(3r)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1h-pyrazol-5-yl]methanone
+c1ccc(cc1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N	O5H	1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea
+COc1ccc(cc1)C(=O)CN2C(=O)C(NC2=O)(c3ccccc3)c4ccccc4	O5J	3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
+c1cc(ccc1CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F	O5K	1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea
+Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4ccccc4F	O5M	{(3r)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1h-pyrazol-5-yl]methanone
+c1ccc(c(c1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N)F	O5N	1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea
+Cc1ccnc(c1)c2cc(n[nH]2)C(=O)N3CCOC[C@H]3Cc4ccccc4	O5P	[(3r)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1h-pyrazol-3-yl]methanone
+CCC(=O)N1CC(C1)NC(=O)Cn2c3c(cc(cc3c(c2C4CC4)C(=O)N5CCc6c(cccc6OC)C5)Cl)C	O5S	2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1h)-carbonyl)-7-methyl-1h-indol-1-yl]-n-(1-propanoylazetidin-3-yl)acetamide
+c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCNCc2ccc(cc2O)Br	O5T	1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea
+c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)NC(=O)CCCCCN	O5U	(2r)-6-[[(1r,2s)-2-(6-azanylhexanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2C(=O)N3CC=C(C3)c4ccccc4)Br	O5V	2-[4-bromo-2-(3-phenyl-2,5-dihydro-1h-pyrrole-1-carbonyl)phenoxy]-n-(1-propanoylazetidin-3-yl)acetamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P-](=O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO[P-](=O)(=O)O)n4cnc5c4nc[n+](c5N)C)O	O5W	[(3~{s},5~{r})-5-(6-azanyl-1-methyl-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
+CCC(=O)N1CC(C1)NC(=O)Cn2cc(c3c2ccc(c3)Br)C(=O)N4CCc5c(cccc5OC)C4	O5Y	2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1h)-carbonyl)-1h-indol-1-yl]-n-(1-propanoylazetidin-3-yl)acetamide
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(o3)Br)N	O5Z	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
+C(CCCCCOS(=O)(=O)N)CCCCOS(=O)(=O)N	O60	decane-1,10-diyl disulfamate
+c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)SCC(=O)N5	O61	n-[(2s)-1-({2-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2h-1,4-benzothiazine-7-carboxamide
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cccc5C(=O)O	O62	6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid
+CC[C@@H](C=O)NC(=O)c1cccc(c1Cl)C(F)(F)F	O64	2-chloro-n-[(1s)-1-formylpropyl]-3-(trifluoromethyl)benzamide
+Cc1c(cc(cc1CO)C(=O)O)CO	O65	3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde
+CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2NC(=O)c3cc(no3)C)Br	O67	n-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide
+CN(CCS)C(=O)c1ccc(cc1)F	O68	4-fluoranyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide
+c1cc(ccc1CN)S(=O)(=O)N2CCC(CC2)NC(=O)c3cc(on3)C4CC4	O6A	n-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
+Cc1ccc(cc1N)c2cc(nc(n2)O[C@H](C(=O)O)C(c3ccccc3)(c4ccccc4)OC)C	O6D	(2s)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid
+CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C	O6E	3-[5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C	O6G	n-(2-cyano-3-methyl-1h-indol-5-yl)butane-1-sulfonamide
+Cc1cc(c(c(c1)C)C[C@@H](C=O)N)C	O6H	2,4,6-trimethyl-l-phenylalanine
+CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C	O6J	n-(2-cyano-3-methyl-1h-indol-5-yl)pentane-1-sulfonamide
+CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)NCc4ccccc4)O	O6K	~{tert}-butyl ~{n}-[1-[(2~{s})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
+Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3cccc(c3)C#N	O6M	3-cyano-n-(3-cyano-4-methyl-1h-indol-7-yl)benzene-1-sulfonamide
+C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O	O6P	doripenem
+c1ccc(cc1)c2csc3c2C(=O)NC(=N3)COC(=O)CCN4c5ccccc5OCC4=O	O6S	(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl)propanoate
+CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C	O6T	biotc4-1 cofactor
+C[C@@H](C1=Nc2c(c(cs2)c3ccccc3)C(=O)N1)OC(=O)C[C@H]4C(=O)Nc5ccccc5S4	O6V	(1s)-1-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl [(2s)-3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl]acetate
+c1cc2cnccc2cc1NS(=O)(=O)CCCC(F)(F)F	O6W	4,4,4-tris(fluoranyl)-~{n}-isoquinolin-6-yl-butane-1-sulfonamide
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3	O6Y	2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile
+CCCCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2	O6Z	~{n}-(1~{h}-indazol-5-yl)butane-1-sulfonamide
+CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)CC(=O)O	O71	(4-{6-[(2s)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2h-1,3-benzodioxol-4-yl}phenyl)acetic acid
+c1cc2ccnc(c2nc1)N	O72	1,7-naphthyridin-8-amine
+Cc1c(c2c(n1C)C(=O)C=C(C2=O)NCCCCN)COc3ccc(cc3)[N+](=O)[O-]	O73	5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1h-indole-4,7-dione
+c1ccc2c(c1)C(=N/C(=C/3\C=CC=CC3=O)/N2)Nc4ccccc4Cl	O74	6-[4-(2-chloroanilino)-1h-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
+CCCc1cc(nc(n1)C#N)c2cc(cc(c2)C(F)(F)F)C(=O)N(CCN(C)C)Cc3ccccc3	O75	n-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-n-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide
+c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N	O77	n-[(3s)-3-amino-3-carboxypropyl]-l-histidine
+[H]/N=C\1/CCCC(=C1)C(=O)O	O78	(3z)-3-iminocyclohex-1-ene-1-carboxylic acid
+C[C@@H]([C@@H](C(=O)O)NC)O	O7A	n-methyl-l-allothreonine
+c1cc2c3c(c1)C(=O)N(C[C@H]3CCC2)[C@@H]4CN5CCC4CC5	O7B	(3~{a}~{s})-2-[(3~{s})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{h}-benzo[de]isoquinolin-1-one
+CN[C@@H](Cc1c[nH]c2c1c(ccc2)OC)C(=O)O	O7D	4-methoxy-n-methyl-l-tryptophan
+CCOC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	O7E	6-(ethoxycarbonyl)uridine 5'-(dihydrogen phosphate)
+CC(C)[C@@H](C(=O)O)N(C)C	O7G	n,n-dimethyl-l-valine
+c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N[C@@H](CCC(=O)O)C(=O)O	O7J	n-[(1s)-1-carboxy-3-{[(1s)-1-carboxy-2-(1h-imidazol-5-yl)ethyl]amino}propyl]-l-glutamic acid
+CCC(=O)N1C[C@@H]2C(=O)N(c3cnc4c(c3N2C[C@H]1C)cc(c(c4F)c5c(cccc5F)O)Cl)C	O7K	pyrazinoquinolinone
+COC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	O7M	6-(methoxycarbonyl)uridine 5'-(dihydrogen phosphate)
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CNC1=O)CCCCN)CCCCN	O7N	1-[(8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCN(C(=O)C3)C	O7P	2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile
+CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C	O7Q	biotc5-1 cofactor
+C/C/1=C\[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C=C1)CC=C)C(C)C)F)O	O7S	(3r,4r,5e,10e,12e,14s,16r,26ar)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,7h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione
+C1=C[P@](=O)(NC(=O)N1)N	O7U	(2r)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1h)-one 2-oxide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4)F)O)/C	O7V	(2r)-2-[(3s,4r,5e,10e,12e,14s,16r,26ar)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4)O)/C	O7Y	(2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
+CC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3	O7Z	2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{h}-inden-5-yl]oxy]ethanoic acid
+CN(C)Cc1ccc2c(c1)c3ccccc3n2CC(F)(F)F	O80	n,n-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9h-carbazol-3-yl]methanamine
+[C@H]1([C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	O81	(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+CNCc1ccc2c(c1)c3ccccc3n2CCF	O82	1-[9-(2-fluoroethyl)-9h-carbazol-3-yl]-n-methylmethanamine
+CNCc1ccc2c(c1)c3ccccc3n2CC(F)F	O83	1-[9-(2,2-difluoroethyl)-9h-carbazol-3-yl]-n-methylmethanamine
+c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/CP(=O)(O)O)P(=O)(O)O	O84	[(2~{r},4~{a}~{r},6~{r},7~{a}~{r})-6-[2,4-bis(oxidanylidene)-5-[(~{e})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{h}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
+CN(CCS)C(=O)c1cccc(c1)F	O85	3-fluoranyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide
+Cc1nc2cc(ccc2n1c3ccc(s3)C(=O)NC4CC4)OC(F)(F)F	O8A	n-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1h-benzimidazol-1-yl]thiophene-2-carboxamide
+Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4ccccc4C	O8B	2-(2-methylphenoxy)-n-[2-(4-methylphenyl)-2h-benzotriazol-5-yl]acetamide
+C/C/1=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C=C1)CC=C)C(C)C)O	O8D	(3r,4r,5e,10e,12e,14s,26ar)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4h,17h)-tetrone
+c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN=[N+]=[N-]	O8G	1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
+c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)Cn4cc(nn4)CNS(=O)(=O)c5ccc(cc5)I	O8H	4-iodo-n-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1h-1,2,3-triazol-4-yl)methyl]benzenesulfonamide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)C)O)/C	O8J	(3r,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4h,17h)-tetrone
+C[C@@H]1/C=C(\CCC(=O)CCCC/C=C/[C@@H]([C@H]1O)OC)/C	O8K	(4z,6r,7s,8s,9e)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CC(=O)N)O)O)N	O8M	2-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO	O8N	octacosan-1-ol
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccnc(c4)Br)O)/C	O8P	(2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NCCc5ccc(cc5)Cl)N	O8Q	5-azanyl-~{n}-[[4-[[(2~{s})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccc(cc4)C(F)(F)F)O)/C	O8S	(2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NC5CCCCC5)N	O8T	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@@H](C)COC(=O)Nc4cc5ccccc5cn4)O)/C	O8V	(2s)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
+CC[C@H](C)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4	O8W	5-azanyl-~{n}-[[4-[[(2~{s})-1-[[(2~{s})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CCCCCC=O	O8Y	hexanal
+CC(C)CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4	O8Z	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CCCc1c(ccc2c1onc2C(F)(F)F)OCCCSc3ccc(cc3Cl)CC(=O)O	O90	{3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid
+Cc1ccc(cc1)c2[nH]cc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC	O91	[2-(4-methylphenyl)-1h-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
+CNC(=O)c1c(ncc(n1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3F)F)Cl)N	O92	3-amino-6-{4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl}-n-methylpyrazine-2-carboxamide
+Cc1c(cc2c(c1NO)sc(n2)C3=N[C@@H](CO3)C(=O)N4CCCC4)C(F)(F)F	O95	{(4s)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone
+CC[C@@H](C(=O)C(=O)N)NC(=O)c1ccc(c(c1Cl)C(F)(F)F)OCc2ccccn2	O96	n-[(1s)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide
+c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NC4CC4	O97	4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
+CCC(CC)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4	O98	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)F)C	O9A	5-ethoxy-2-fluoro-3-methyl-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
+CN1CCCC[C@@H]1C(=O)O	O9B	(2~{r})-1-methylpiperidine-2-carboxylic acid
+CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C	O9D	5-ethoxy-2-fluoro-3-methyl-n'-(phenylsulfonyl)benzohydrazide
+CCCn1cc(nn1)CN(C)C(=O)c2cc(c(s2)C)C3=C(CCC3)c4cc(sc4C)C(=O)N(C)Cc5cn(nn5)CC	O9E	~{n}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{n},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3cccn3	O9G	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(1h-pyrazol-1-yl)benzohydrazide
+CC(C)[C@@H](C[C@H](C1NC(=C(S1)CCOCc2ccccc2)C=O)OC(=O)C)[NH2+]C	O9H	[(1~{r},3~{r})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccn3	O9J	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide
+CC(C)[C@@H](C[C@H](c1nc(cs1)C=O)OC(=O)C)NC	O9K	[(1~{r},3~{r})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ncccn3	O9M	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide
+COC(=O)[C@H](C[C@H](Cc1ccccc1)N)N	O9N	methyl (2~{s},4~{s})-2,4-bis(azanyl)-5-phenyl-pentanoate
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OCC=C	O9P	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide
+Cc1cccc(c1)C2=CC(=O)c3c(cc(cc3O2)O)O	O9Q	2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC(C)C	O9S	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
+Cc1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O	O9T	2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one
+CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C	O9V	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-propoxybenzohydrazide
+Cc1nnn(n1)Cc2cc(ccc2/C=C/C(=O)N3CCN(C[C@H]3C)Cc4ccc(cc4)F)Cl	O9W	(~{e})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{r})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3nccn3	O9Y	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(2h-1,2,3-triazol-2-yl)benzohydrazide
+c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F	O9Z	2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one
+c1cc(cc(c1)Br)C(=O)c2cnc(o2)N	OA1	(2-amino-1,3-oxazol-5-yl)-(3-bromophenyl)methanone
+c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3cnc(o3)N	OA2	2-amino-n,n-bis(phenylmethyl)-1,3-oxazole-5-carboxamide
+CC1(Cc2c(c(ncn2)N)C(=O)C1)C	OA3	4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6h)-one
+Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3	OA4	5-methyl-6-phenylquinazoline-2,4-diamine
+c1ccc(cc1)OCCOc2nc(nc(n2)N)N	OA5	6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
+c1cc(ncc1C(=O)O)O	OA7	6-hydroxypyridine-3-carboxylic acid
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)OC(=O)C)O	OA8	{[(2r,3s,4r,5s,6s)-3-(acetyloxy)-5-acetamido-4,6-dihydroxyoxan-2-yl]methoxy}phosphonic acid
+C(C(=O)C(=O)O)C(=O)[O-]	OAA	oxaloacetate ion
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)OC(=O)C	OAB	{[(2r,3s,4r,5s,6s)-5-acetamido-3,6-dihydroxy-4-(2-oxopropyl)oxan-2-yl]methoxy}phosphonic acid
+CC(Cc1ccccc1O)C(=O)O	OAC	trans-o-hydroxy-alpha-methyl cinnamate
+CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	OAD	2'-o-acetyl adenosine-5-diphosphoribose
+CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C	OAE	(2s,4s)-2-[(r)-{[(2r)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+C(=O)(C(C(C(=O)O)(F)F)(O)O)O	OAF	2,2-difluoro-3,3-dihydroxybutanedioic acid
+c1cc(c(cc1Cl)NCc2cc3c(nc(nc3nc2)N)N)Cl	OAG	6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@H](O3)COP(=O)(O)O)O)N	OAH	9-(2-deoxy-5-o-phosphono-alpha-d-threo-pentofuranosyl)-9h-purin-6-amine
+c1c[nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O	OAI	6-(oxalyl-amino)-1h-indole-5-carboxylic acid
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@@H]3C(=O)O	OAJ	(3r)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid
+c1ccc(cc1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	OAK	n-(phenylcarbonyl)-beta-d-glucopyranosylamine
+c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2=O	OAL	(1,8-dihydroxy-9,10-dioxo-9,10-dihydro-anthracen-2-yl)-acetic acid
+Cc1nnc(n1CCCn2ccnc2)c3cnn(c3N)C	OAM	4-{4-[3-(1h-imidazol-1-yl)propyl]-5-methyl-4h-1,2,4-triazol-3-yl}-1-methyl-1h-pyrazol-5-amine
+CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	OAN	o-(2-acetamido-2-deoxy d-glucopyranosylidene) amino-n-phenylcarbamate
+c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3	OAP	4-(s)-[(1-oxo-7-phenylheptyl)amino]-5-[4-(phenylmethyl)phenylthio]pentanoic acid
+CC(C)NC[C@@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO	OAQ	{(2s)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
+[H]/N=C(/N)\NCCC[C@@H](CO)N	OAR	n-(4-amino-5-hydroxy-pentyl)-guanidine
+CC(=O)OC[C@@H](C(=O)O)N	OAS	o-acetylserine
+CCN(CCn1cccn1)C(=O)Cc2ccc(cc2)Oc3ccc(c(c3)C)C#N	OAV	2-[4-(4-cyano-3-methylphenoxy)phenyl]-n-ethyl-n-[2-(1h-pyrazol-1-yl)ethyl]acetamide
+Cc1c2c(nc(n1)N)N(C(=O)C(=N2)c3c[nH]nc3)C(C)C	OAW	2-amino-4-methyl-8-(1-methylethyl)-6-(1h-pyrazol-4-yl)pteridin-7(8h)-one
+c1cc(ccc1C(=O)NCN(CC2CC2)C=O)Cl	OAX	4-chloranyl-n-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide
+c1ccc(c(c1)COC(=O)O)N=[N+]=[N-]	OAZ	(2-azidophenyl)methyl hydrogen carbonate
+c1ccc(cc1)NS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB1	(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CN(c1ccccc1)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB2	(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-methyl-n-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CN(c1ccccc1Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB3	(1s,2r,4s)-n-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-n-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc(cc1)OC)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB4	(1s,2r,4s)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc(cc1)OC)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB5	(1r,2s,4r)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB6	(1s,2r,4s)-n-(4-chlorophenyl)-n-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB7	(1r,2s,4r)-n-(4-chlorophenyl)-n-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc2ccccc2c1)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O	OB8	(1s,2r,4s)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB9	(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-phenyl-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+c1ccc(c(c1)C(=O)O)NC(=O)C(=O)O	OBA	2-(oxalyl-amino)-benzoic acid
+c1cc(cc(c1)Br)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OBB	3-bromophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1ccc(c(c1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O)F	OBC	2-fluorophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+Cc1ccc(cc1)C(=O)NCc2cn(nn2)[C@@H](Cc3ccc4ccccc4c3)CC(=O)N=O	OBD	4-methyl-n-({1-[(2s)-1-(naphthalen-2-yl)-4-nitroso-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide
+C[N@H+]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3cccc(c3)O)C(=O)[O-]	OBE	3-(3-hydroxy-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid
+C([C@@H](C(=O)O)N)C(F)F	OBF	(2s)-2-amino-4,4-difluorobutanoic acid
+c1ccc(cc1)COc2c3c([nH]cn3)nc(n2)N	OBG	6-(benzyloxy)-9h-purin-2-amine
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc(cc5)O)O	OBH	cyclohexa-2,5-dien-1-yl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1c[n+](ccc1\C=N\O)COC[n+]2ccc(cc2)\C=N\O	OBI	1,1'-(oxydimethylene)bis(4-formylpyridinium)dioxime
+CC1=C2[C@H]([C@]([C@]3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H]7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO)C)(C)CC(=O)N)CCC(=O)N	OBL	5-methoxybenzimidazolyl-norcobamide
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O)O	OBM	4-bromophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O	OBN	ouabain
+c1ccc(c(c1)c2ccccc2[S@@](=O)O)O	OBP	2'-hydroxy-1,1'-biphenyl-2-sulfinic acid
+CN1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)N)OC)OC)OCO3	OBQ	(3~{s})-7-azanyl-6-methoxy-3-[(5~{r})-4-methoxy-6-methyl-7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{h}-2-benzofuran-1-one
+C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/C[S@]1=O)CC(=O)O)CCC(=O)O	OBS	(z)-n^6-[(4s,5r)-5-(2-carboxyethyl)-4-(carboxymethyl)-1-hydroxydihydro-2h-thiopyranium-3(4h)-ylidene]-l-lysine
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)Cl)c5ccc(cc5)O)O	OBT	(1s,2r,4s)-n-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+Cc1c2cc3[n+]4c(cc5n6c(cc7[n+]8c(cc(c1CCC(=O)O)n2[Fe]648)C(=C7C)CCC(=O)O)[C@@]([C@H]5CCC(=O)O)(C)CC(=O)O)[C@@]([C@H]3CCC(=O)O)(C)CC(=O)O	OBV	12,18-didecarboxy-siroheme
+c1ccc2c(c1)cc(s2)c3cc4c(s3)c(ncn4)SCC(=O)O	OBW	2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid
+CC(=O)Nc1cc2c(cccc2s1)c3ccc(s3)C(=O)NC4CC4	OBY	5-[2-(acetylamino)-1-benzothiophen-4-yl]-n-cyclopropylthiophene-2-carboxamide
+c1ccc(cc1)CON	OBZ	o-benzylhydroxylamine
+[OH2][Ca+2]	OC1	calcium ion, 1 water coordinated
+[OH2][Ca+2][OH2]	OC2	calcium ion, 2 waters coordinated
+[OH2][Ca+2]([OH2])[OH2]	OC3	calcium ion, 3 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])[OH2]	OC4	calcium ion, 4 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])([OH2])[OH2]	OC5	calcium ion, 5 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])[OH2]	OC6	calcium ion, 6 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]	OC7	calcium ion, 7 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]	OC8	calcium ion, 8 waters coordinated
+CCCCCCCCO	OC9	octan-1-ol
+CCCCCCCC(=O)O	OCA	octanoic acid (caprylic acid)
+CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	OCB	octanoylcarnitine
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCCCO)O)C	OCC	2alpha-(3-hydroxypropoxy)-1alpha,25-dihydroxyvitamin d3
+CCCCCCCCCCCCCCCCCC=O	OCD	octadecanal
+C(CCCC(=O)O)CCC(=O)O	OCE	octanedioic acid
+Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O)Nc4ccon4	OCG	5-amino-n-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1h-pyrazole-4-carboxamide
+c1ccc2c(c1)C=CC(=O)N2	OCH	quinolin-2(1h)-one
+c1cc(cc(c1)N)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N	OCJ	4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
+CCC[C@@]1(C(=O)Nc2ccccc2C(=O)N1CC)C	OCK	(3~{r})-4-ethyl-3-methyl-3-propyl-1~{h}-1,4-benzodiazepine-2,5-dione
+[OH2][Co+2]	OCL	cobalt ion, 1 water coordinated
+[OH2][Co+2]([OH2])[OH2]	OCM	cobalt ion, 3 waters coordinated
+[OH2][Co+2][OH2]	OCN	cobalt ion, 2 waters coordinated
+[OH2][Co+3]([OH2])([OH2])([OH2])([OH2])[OH2]	OCO	cobalt ion,6 waters coordinated
+CCCCCCCCNC(=O)OC[C@H](CO[P@](=O)(CCCCCCCC)O)OC(=O)NCCCCCCCC	OCP	octyl-phosphinic acid 1,2-bis-octylcarbamoyloxy-ethyl ester
+C1CNC(=O)[C@@H]1C[C@@H](C(=O)CO)N	OCQ	(3s)-3-[(2s)-2-amino-4-hydroxy-3-oxobutyl]pyrrolidin-2-one
+CCCCCC(=O)\C=C\C=C/C\C=C\C\C=C\CCCC(=O)O	OCR	(5e,8e,11z,13e)-15-oxoicosa-5,8,11,13-tetraenoic acid
+C([C@@H](C(=O)O)N)S(=O)(=O)O	OCS	cysteinesulfonic acid
+CCCCCCCC	OCT	n-octane
+CC(C)[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	OCV	n6-[(1r)-2-{[(1r)-1-carboxy-2-methylpropyl]oxy}-1-(mercaptomethyl)-2-oxoethyl]-6-oxo-d-lysine
+Cc1c2c(cc3c(c2O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC	OCW	methyl (6~{a}~{r},7~{s},10~{a}~{r})-3,8,10~{a}-trimethoxy-1-methyl-6~{a},7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7~{h}-tetracene-2-carboxylate
+CCCCC\C=C\C\C=C\C=CC(=O)C\C=C\CCCC(=O)O	OCX	(5e,11e,14e)-8-oxoicosa-5,9,11,14-tetraenoic acid
+C(CSC[C@@H](C(=O)O)N)O	OCY	hydroxyethylcysteine
+c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N	OCZ	(1s)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1- carboxamide
+c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCCCN	OD1	4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide
+CSc1ccc(cc1)c2cc3c(s2)c(ncn3)SCC(=O)O	OD2	2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid
+c1cc(c2cc(sc2c1)C(=O)O)c3ccc(s3)C(=O)NCCCN	OD4	4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid
+C[C@@H]1[C@@H]2CC[C@@H]([C@H]2C[C@]3(CC[C@H]([C@@H]3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC	OD8	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[[(1~{s},3~{r},6~{s},7~{s},8~{r},9~{r},10~{r},11~{r},14~{s})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol
+C1C[C@H](N2C(=O)[C@H](CCC(=O)N2C1)N)C(=O)O	ODA	9-amino-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
+[H]/N=C(/N)\NCCC[C@H]1C(=O)N[C@@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4ccccc4CO)C(=O)N	ODB	(10s,14s,17r)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide
+CCCCC\C=C/C=C/CCCCCCCCC(=O)O	ODD	(10e,12z)-octadeca-10,12-dienoic acid
+CCOC(=O)[C@H]1[C@H]([C@H]2C(=C([C@@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OCC	ODE	diethyl (1r,2s,3r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
+c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C4CC4	ODG	6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
+c1cc(oc1)CNC(=O)c2ccc3c(c2)nccn3	ODH	n-(furan-2-ylmethyl)quinoxaline-6-carboxamide
+C(CCCCO)CCCO	ODI	octane-1,8-diol
+Cc1cc(ccc1NC(=O)c2cnn3c2ccc(c3)OC)NC(=O)c4c5ccccc5n(n4)C	ODJ	n-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1h-indazole-3-carboxamide
+c1ccnc(c1)c2cc([nH]n2)C(=O)O	ODK	3-pyridin-2-yl-1h-pyrazole-5-carboxylic acid
+C[C@H](CCC=C(C)C)CCO	ODM	(3r)-3,7-dimethyloct-6-en-1-ol
+C[C@@H]1[C@@H]2CC[C@H]3[C@@]45CO[C@@]([C@]3([C@@H]2O)C1=O)([C@H]([C@@H]4C(CC[C@@H]5O)(C)C)O)O	ODN	(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14r,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one
+C/C(=N\O)/c1ccc(cc1O)O	ODO	4-[(e)-c-methyl-n-oxidanyl-carbonimidoyl]benzene-1,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC(C(=O)C=C5)C(=O)N)O)O)O)OP(=O)(O)O)N	ODP	4-oxo-nicotinamide-adenine dinucleotide phosphate
+CCC[C@@]1(C(=O)Nc2ccccc2C(=O)N1C)C	ODQ	(3~{r})-3,4-dimethyl-3-propyl-1~{h}-1,4-benzodiazepine-2,5-dione
+CCOc1cc(cc(c1)[C@@H](C)O)c2c(noc2C)C	ODR	(1r)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol
+CN1CCN(CC1)C(=O)O	ODS	4-methylpiperazine-1-carboxylic acid
+CC\C=C/C=C/C=C/CCCCCCCCCC(=O)O	ODT	(11e,13e,15z)-octadeca-11,13,15-trienoic acid
+C([C@H](O)P(=O)(O)O)N	ODV	[(1r)-2-amino-1-hydroxyethyl]phosphonic acid
+C1C[C@]2([C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O)O	ODW	(1~{r},2~{s},3~{s},4~{r},5~{r})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol
+CC1=C([C@@H](Oc2c1cccc2O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O	ODY	(2s)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2h-1-benzopyran-8-ol
+C[C@](CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O	ODZ	2-(4-hydroxyphenyl)-~{n}-[(2~{s})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide
+CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc([nH]2)c3ccccc3	OE1	2-phenyl-n,n-dipropyl-1h-benzimidazole-5-sulfonamide
+c1cc(c(cc1C/C(=N\O)/C(=O)NCCS(=O)(=O)N)Br)O	OE2	psammaplin c
+c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)N4CC(C4)c5cccnc5	OE4	n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5	OE5	5-azanyl-~{n}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)Cl	OE7	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)Nc5ccc(cc5)F)N	OE8	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O	OEA	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NCc5ccncc5)N	OEB	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+[O@]12[Ca]3[O@]4[Mn]1O5[Mn]2O3([Mn]45)[Mn]	OEC	oxygen evolving system
+COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O)O	OED	[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid
+C[C@](CC(=C)O)(C=O)NC(=O)OC(C)(C)C	OEE	~{tert}-butyl ~{n}-[(2~{s})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate
+CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)CCC(=O)O)Br	OEF	3,5-dibromo-4-(3-isopropyl-phenoxy)benzoic acid
+C(C(=O)O)OCC(=O)O	OEG	2,2'-oxydiacetic acid
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl	OEH	[9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)O	OEJ	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid
+CC1(c2cc(ccc2C(=C3C1=CC(=[N+](C)C)C=C3)c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl)N(C)C)C	OEK	4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid
+CC(C)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1C(=O)[C@H](CO)O)C(=O)O)F)N=[N+]=N	OEL	(6r)-2,6-anhydro-3,4,5-trideoxy-6-[(2s)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien  -2-ium-1-yl-l-gulonic acid
+CN[C@H](CC(=O)O)C(=O)O	OEM	n-methyl-d-aspartic acid
+C[C@H]1C(C(N=C1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2Cn3cnc[n+]3C2	OEN	 biapenem imine hydrolysis product
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C(=O)O	OEP	3-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid
+C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cnc[n+]3C2)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	OEQ	biapenem enamine hydrolysis product
+O1[Mn][O-]23[Mn]14O5[Sr+2]2O6[Mn]5[O+]4[Mn]36	OER	sr-mn4-o5 cluster
+CCCCCCCC[S@@](=O)CCO	OES	n-octyl-2-hydroxyethyl sulfoxide
+C[CH2]	OET	ethyl group
+Cc1ccccc1CCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCc2ccccc2)C(=O)NCc3ccccc3Cl	OEU	n-{(2s)-1-[(2-chlorobenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-n~2~-[3-(2-methylphenyl)propanoyl]-l-threoninamide
+CCCCCCCCN[C@@H]1C=C([C@H]([C@@H]([C@H]1O)O)O)CO	OEV	(1s,2s,3r,6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol
+CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CC=NC3=O)[C@H](C(=O)NC4CC4)O	OEW	~{tert}-butyl ~{n}-[1-[(2~{s})-3-cyclohexyl-1-[[(2~{s},3~{r})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{r})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
+O1[Mn][O@]23[Mn@@]14[O@]5[Ca]2[O@@]6[Mn]5[O@]4[Mn]36	OEX	ca-mn4-o5 cluster
+O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3	OEY	ca-mn4-o6 cluster
+CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)C(=O)NC4CCC4	OEZ	~{n}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide
+[OH2][Fe+2]	OF1	ferrous ion, 1 water coordinated
+O([Fe+3])[Fe+3]	OF2	2 ferric ion, 1 bridging oxygen
+[OH2][Fe+3]	OF3	ferric ion, 1 water coordinated
+c1ccc(c(c1)CNC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O	OF4	2-[({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid
+CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)OC	OF5	1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone
+c1ccc(c(c1)CC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N	OF7	[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid
+CC(=O)c1cc(c2n1cccn2)c3ccccn3	OF8	1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
+c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OFB	3-fluorophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)F	OFC	4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-l-ribofuranosyl)pyrimidin-2(1h)-one
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C#N	OFD	[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid
+O=[Fe]	OFE	iron(ii) oxide
+c1cc(ccc1\C=C\C(=O)O[C@@H](CC(=O)O)[C@H](C(=O)O)OC(=O)\C=C\c2ccc(cc2)O)O	OFF	2-deoxy-3,4-bis-o-[3-(4-hydroxyphenyl)propanoyl]-l-threo-pentaric acid
+Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F	OFG	3-[(1r)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1h-pyrazol-4-yl)pyridin-2-amine
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl)O[C@@H](C)C(F)(F)F	OFH	(4r)-4-[(2-chloro-4-{[(2s)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-n-{1-[(e)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-l-prolinamide
+CCCC(=O)Nc1c2ccc(cc2[nH]n1)c3ccc(cc3)O	OFI	n-[6-(4-hydroxyphenyl)-1h-indazol-3-yl]butanamide
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)N	OFJ	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid
+CC(=O)c1cc(c2n1cccn2)c3ccccc3	OFK	1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
+c1ccc(c(c1)C(=O)O)Nc2ccccc2C(F)(F)F	OFL	o-trifluoromethylphenyl anthranilic acid
+C[C@@H]1C(=N[C@](O1)([C@H](Cc2ccccc2)N)O)C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O	OFM	[(4z)-2-{(2r,5r)-2-[(1s)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	OFN	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate
+O[Fe]O[Fe]	OFO	hydroxy diiron-oxo moiety
+C1C2CC3CC1CC(C2)C3(CO)N	OFQ	(2-azanyl-2-adamantyl)methanol
+CCN(CC)S(=O)(=O)c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2	OFT	(3z)-n,n-diethyl-3-[(3e)-3-(hydroxyimino)-1,3-dihydro-2h-indol-2-ylidene]-2-oxo-2,3-dihydro-1h-indole-5-sulfonamide
+C[C@@]1(CN(CCO1)S(=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)C(=O)NCC4(C5CC6CC(C5)CC4C6)N	OFW	(2~{r})-~{n}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide
+[H]/N=C(\NCC)/NCC1C2CC3CC(C2)CC1C3	OFZ	1-(2-adamantylmethyl)-3-ethyl-guanidine
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C#N	OG1	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid
+[H]/N=C(\NCC)/NC12CC3CC(C1)CC(C3)C2	OG2	1-(1-adamantyl)-3-ethyl-guanidine
+c1ccc(c(c1)CCC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N	OG4	3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid
+c1ccc(cc1)[C@@H](CC(=O)NCC2(C3CC4CC(C3)CC2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6=O	OG5	(3~{r})-~{n}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide
+c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)N=C(N4)N	OG7	2-({4-[(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid
+[H]/N=C(\N)/NCC12CC3CC(C1)CC(C3)C2	OG8	1-(1-adamantylmethyl)guanidine
+C(C(=O)O)NC(=O)C(=O)O	OGA	n-oxalylglycine
+COC(=O)c1cccc2c1ccnc2	OGB	methyl isoquinoline-5-carboxylate
+c1cc(ncc1Br)NC(=O)NCCO	OGE	1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea
+C(COCC(=O)N)OCC(=O)N	OGG	2-(2-carbamoylmethoxy-ethoxy)-acetamide
+Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@@H]6[C@H](C5)C6N	OGH	4-[(1~{s},5~{r})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{n}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{h}-pyrimido[4,5-b]indol-8-amine
+CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O	OGJ	(2s)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2h-1-benzopyran-6-ol
+CC[C@@H]1C[C@H]2[C@H](CCC2=O)[C@H](C1)C(=O)N[C@]3(C[C@@H]3CC)C(=O)O	OGK	(1s,2s)-2-ethyl-1-({[(3as,4s,6r,7as)-6-ethyl-1-oxooctahydro-1h-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid
+COC(=O)NCCCCc1[nH]c(cn1)CO	OGM	methyl {4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate
+CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	OGN	[(z)-[(3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] n-phenylcarbamate
+Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C3=C4C=CC(=[N+](C)C)C=C4Oc5c3ccc(c5)N(C)C)C(=O)O	OGQ	[9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
+CCCCCCCCc1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O	OGS	4-octylphenyl 6-o-sulfo-alpha-d-glucopyranoside
+CCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O	OGT	2-ethoxy-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(NCCS)O)O	OGX	2'-deoxy-5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
+c1ccc(cc1)CCCc2[nH]cc(n2)CO	OGY	[2-(3-phenylpropyl)-1h-imidazol-4-yl]methanol
+c1cc(cc(c1)C(F)(F)F)CN	OGZ	[3-(trifluoromethyl)phenyl]methanamine
+[OH-]	OH	hydroxide ion
+c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO	OH1	n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}benzamide
+CO[C@@H](CCc1[nH]cc(n1)CO)c2ccccc2	OH4	{2-[(3s)-3-methoxy-3-phenylpropyl]-1h-imidazol-4-yl}methanol
+C[C@@H](C[C@H](Cc1ccccc1)N)C(=O)O	OH5	(2~{s},4~{r})-4-azanyl-2-methyl-5-phenyl-pentanoic acid
+CC(=O)NCCCCc1[nH]cc(n1)CO	OH7	n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}acetamide
+CC(C)Oc1cc(cnc1)c2ccc3c(c2)c(n[nH]3)C(=O)NCC4CCN(CC4)CCOC	OH8	~{n}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1~{h}-indazole-3-carboxamide
+CCCCCCC(=O)CCCCCCCCC(=O)O	OHA	10-oxohexadecanoic acid
+c1ccc(c(c1)C(=O)N)O	OHB	salicylamide
+C[C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N	OHD	{(4z)-2-[(1s)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CCO	OHE	hydroxyethyl group
+Cc1[nH]cc(n1)CO	OHG	(2-methyl-1h-imidazol-4-yl)methanol
+CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[C@@H](c6cccc7c6cccc7)P(=O)(O)O	OHH	2-[3-({methyl[1-(2-naphthoyl)piperidin-4-yl]amino}carbonyl)-2-naphthyl]-1-(1-naphthyl)-2-oxoethylphosphonic acid
+C1=NC(=O)N=C1C[C@@H](C(=O)O)N	OHI	3-(2-oxo-2h-imidazol-4-yl)-l-alanine
+CCCCc1[nH]cc(n1)CO	OHJ	(2-butyl-1h-imidazol-4-yl)methanol
+CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4	OHK	~{n}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide
+COc1ccc(cc1)S(=O)(=O)[N@@](Cc2ccncc2)CC(=O)NO	OHL	n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]-n~2~-(pyridin-4-ylmethyl)glycinamide
+CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O	OHM	3-oxo-n-[(3s)-2-oxopyrrolidin-3-yl]dodecanamide
+CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O	OHN	n-3-oxo-dodecanoyl-l-homoserine lactone
+C1CCC(CC1)NC(=O)O	OHO	cyclohexane aminocarboxylic acid
+c1ccc(c(c1)CC(=O)O)O	OHP	(2-hydroxyphenyl)acetic acid
+C([C@H](C(=O)O)N)C(=O)OSC(=O)O	OHS	o-(carboxysulfanyl)-4-oxo-l-homoserine
+CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3	OHT	4-hydroxytamoxifen
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)O)COP(=O)(O)O)O	OHU	2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate)
+c1ccc(cc1)COC(=O)NCCCCc2[nH]c(cn2)CO	OHV	benzyl {4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate
+CCCc1c2ccc(cc2[nH]c1[C@H]3CCCCN3CCN4CCOCC4)OC(F)(F)F	OHW	4-[2-[(2~{r})-2-[3-propyl-6-(trifluoromethyloxy)-1~{h}-indol-2-yl]piperidin-1-yl]ethyl]morpholine
+N[Os](N)(N)(N)(N)N	OHX	osmium (iii) hexammine
+CCC(=O)N1CCN(CC1)C2=NC(=O)N(c3c2cc(c(c3)c4c(cccc4F)O)Cl)c5ccccc5C(C)C	OHY	6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1h)-one
+c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F	OHZ	1-(3-chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea
+CCC[C@@H](C(=O)NCCc1ccc(cc1)O)[N+]2=C([C@@H]3Cc4ccccc4CN3C(=O)[C@@H]2Cc5ccc(cc5)O)[O-]	OI1	3-(4-hydroxybenzyl)-2-[1-({[2-(4-hydroxyphenyl)ethyl]amino}carbonyl)butyl]-4-oxo-3,6,11,11a-tetrahydro-4h-pyrazino[1,2-b]isoquinolin-2-ium-1-olate
+C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O	OI7	1,7-di-o-phosphono-beta-d-altro-hept-2-ulofuranose
+c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O	OIA	[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]acetic acid
+C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O	OIC	octahydroindole-2-carboxylic acid
+c1cn(cn1)CCCCCCCCCC(=O)O	OID	10-(1h-imidazol-1-yl)decanoic acid
+CC[C@H](C)[C@@H](C(=O)O)O	OIL	(2s,3s)-2-hydroxy-3-methylpentanoic acid
+CC[C@H](C)[C@@H]([C@@]1(N=C([C@H](O1)C)C2=N/C(=C\c3ccc(cc3)O)/C(=O)N2CC(=O)O)O)N	OIM	[(4z)-2-{(2r,5r)-2-[(1s,2s)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3	OIN	(1r,5s)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2r)-3-hydroxy-2-phenylpropanoate
+c1cn(cn1)CCCCCCCC(=O)O	OIO	8-(1h-imidazol-1-yl)octanoic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O	OIP	2'-deoxy-inosinic acid
+C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)S	OIR	n-(3-phenyl-2-sulfanylpropanoyl)phenylalanylalanine
+Cc1nc(cs1)CN2CCN(C2=O)[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](C[N@](CC(C)C)S(=O)(=O)c4ccc(cc4)\C=N\O)O	OIS	(s)-n-((2s,3r)-3-hydroxy-4-(4-((e)-(hydroxyimino)methyl)-n-isobutylphenylsulfonamido)-1-phenylbutan-2-yl)-3-methyl-2-(3 -((2-methylthiazol-4-yl)methyl)-2-oxoimidazolidin-1-yl)butanamide
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3c(nn2)c4ccccc4)c5c(cccc5F)O)Cl	OJ1	1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one
+c1ccc(c(c1)CCO)NC(=O)Nc2cccc(c2)OC(F)(F)F	OJ2	1-[2-(2-hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea
+c1cc(ccc1OC[C@H](C[Te]C[C@H](COc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N	OJ4	4-[(2s)-2-hydroxy-3-{[(2r)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide
+c1cc(cc(c1)Cl)c2c[nH]c3c2c(ncn3)N4CCOCC4	OJ5	4-[5-(3-chlorophenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
+Cc1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl	OJ7	3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1h-indole
+c1ccc(cc1)Oc2ccc3c(c2)CC[C@@H](C3)[C@@H](c4ncc(o4)c5ccccn5)O	OJ8	(s)-[(2s)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol
+CC(C)N1CCN(CC1)CCNC2CCN(CC2)c3cccc(c3)c4cc5cc(ccc5[nH]4)F	OJA	1-(3-(5-fluoro-1h-indol-2-yl)phenyl)piperidin-4-yl)(2-(4-isopropyl-piperazin1-yl)ethyl)-carbamate
+CCC(=O)NCCCNC(=O)CCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C	OJB	5-[(2~{r},3~{r},4~{r},5~{r},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{n}-[3-(propanoylamino)propyl]pentanamide
+c1ccc(cc1)CC[C@@H]2CC(=O)NC2	OJD	(4r)-4-(2-phenylethyl)pyrrolidin-2-one
+c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO	OJG	n-{4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}-2-phenylacetamide
+C[C@H]1CCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)[C@@](NC3=O)(C)C4CC4	OJH	~{n}-[4-bromanyl-3-[(3~{s})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{r})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
+COC(=O)N(CCCCc1[nH]cc(n1)CO)Cc2ccccc2	OJJ	methyl benzyl{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate
+c1c(c(cc(c1O)Cl)O)CN	OJK	2-(aminomethyl)-5-chloranyl-benzene-1,4-diol
+CCOC(=O)CCc1[nH]cc(n1)CO	OJM	ethyl 3-[4-(hydroxymethyl)-1h-imidazol-2-yl]propanoate
+C=CC(=O)NCCCCc1[nH]cc(n1)CO	OJP	n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}prop-2-enamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C[NH2+]c2conc2O)O	OJQ	[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5cccc(c5)Cl)O[C@H](Cc6ccccc6OC)C(=O)O	OJT	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7C)C(=O)O	OJW	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid
+c1c([nH]c(n1)CCC[C@@H](C(=O)O)N)CO	OJY	5-[5-(hydroxymethyl)-1h-imidazol-2-yl]-l-norvaline
+c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O	OK1	3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7cnccn7)C(=O)O	OK2	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid
+[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)c3ccc(cc3)CN)(O)O	OK3	(4~{r})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
+C[C@@H](C(=O)N[C@@H](CCCc1[nH]c(cn1)CO)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)C	OK4	n-acetyl-l-alanyl-5-[5-(hydroxymethyl)-1h-imidazol-2-yl]-l-norvalyl-l-valinamide
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7ccnc(n7)c8ccccc8OC)C(=O)O	OK5	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
+CC(=O)Nc1cccs1	OK7	n-(thiophen-2-yl)acetamide
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O	OK8	(2~{s})-2-[[5-azanyl-1-[(2~{r},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid
+C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)\C=C\[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O	OKA	okadaic acid
+COCCOCCOCCOCCOCc1cn(nn1)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	OKD	n-({(1s)-1-carboxy-5-[4-(2,5,8,11,14-pentaoxapentadec-1-yl)-1h-1,2,3-triazol-1-yl]pentyl}carbamoyl)-l-glutamic acid
+COc1cccc(c1O)CO	OKE	2-(hydroxymethyl)-6-methoxy-phenol
+C(CC(=O)O[O-])C(=O)O	OKG	4-peroxy-4-oxobutanoic acid
+c1cc(ccc1c2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)C(=O)O)Cl	OKH	2-(4-chlorophenyl)-1-[(1s)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1h-benzimidazole-6-carboxylic acid
+c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl	OKI	(2s)-2-[2-(4-chlorophenyl)-1h-benzimidazol-1-yl]-n,2-dicyclohexylethanamide
+c1cc(ccc1C[C@@H]([C@@H](C=O)O)N)O	OKJ	(2s,3s)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal
+CCNc1nc(nc(n1)O)NC(C)C	OKM	4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)S)O	OKN	5'-methyl-2'-deoxycytidine-5'-phosphorothioate
+C[C@@H]1CN(C[C@@H](O1)C)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cc(c(nc5)OC)NS(=O)(=O)C	OKO	n-[5-[4-(5-{[(2r,6s)-2,6-dimethyl-4-morpholinyl]methyl}-1,3-oxazol-2-yl)-1h-indazol-6-yl]-2-(methyloxy)-3-pyridinyl]methanesulfonamide
+B(CCCCCNCCCN)(O)O	OKP	{5-[(3-aminopropyl)amino]pentyl}boronic acid
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O	OKQ	2'-o-methylcytidine-5'-phosphorothioate
+C(CCCC(=O)NO)CCCN	OKS	8-amino-n-hydroxyoctanamide
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)S)O	OKT	2'-o-methyluridine-5'-phosphorothioate
+CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F	OKV	1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1h-indol-1-yl]ethan-1-one
+CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(F)(F)F	OKY	1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1h-indol-1-yl]ethan-1-one
+CCCNS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O	OKZ	4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{n}-propyl-benzenesulfonamide
+c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccccn3)(O)O	OL1	7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
+CCOc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N	OL2	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid
+CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1	OL3	n-biotin-c-co4(mu3-o)4(oac)(py)4(h2o)3-beta-alanine
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)[O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])NC(=O)N2	OL4	n-biotin-c-co4(mu3-o)4(py)3(h2o)4-beta-alanine
+CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])[N]1=CC=CC=C1	OL5	n-biotin-c-co4(mu3-o)4(oac)(py)3(h2o)3-beta-alanine
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C6CCCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C	OL7	methyl [(1s)-1-cyclohexyl-2-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate
+c1cc(cc(c1)N2C(=O)C=CC2=O)NC(=O)c3ccco3	OL8	~{n}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide
+CCCCCCCC\C=C/CCCCCCCC(=O)O	OLA	oleic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O	OLB	(2s)-2,3-dihydroxypropyl (9z)-octadec-9-enoate
+CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O	OLC	(2r)-2,3-dihydroxypropyl (9z)-octadec-9-enoate
+c1cc(ccc1C(=O)Cn2cncc2C[C@@H](C(=O)O)N)Br	OLD	3-[2-(4-bromophenyl)-2-oxoethyl]-l-histidine
+CC(C)C[C@@H](C(=O)O)O	OLE	2-hydroxy-4-methyl-pentanoic acid
+Cc1cc(ccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)C(=O)O	OLF	4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid
+CCCCCCCC\C=C/CCCCCCCC(=O)O	OLI	oleic acid
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6C[C@H]7C[C@H]7C6)C(=O)NS(=O)(=O)C8(CC8)C	OLJ	(1r,3r,5s)-bicyclo[3.1.0]hexan-3-yl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)O)C(C)(C)O	OLM	olmesartan
+CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O	OLN	(s)-2-acetamido-5-ureidopentanoic acid
+Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO	OLO	olomoucine
+CC(C)n1cnc\2c1NC(=N/C2=N\c3cccc(c3)Cl)NCCO	OLP	2-(2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
+COc1ccc(c(c1F)C(=O)N)F	OLQ	2,6-difluoro-3-methoxybenzamide
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)([O])[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1)([N]1=CC=CC=C1)[O])NC(=O)N2	OLS	n-biotin-c-co4(mu3-o)4(py)4(h2o)4-beta-alanine
+C[C@H]([C@@H](C(=O)O)N)OC	OLT	o-methyl-l-threonine
+c1cc2c(cc1O)sc(n2)C3=NC(=O)CS3	OLU	2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5h)-one
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCCC6)C(=O)NS(=O)(=O)C7(CC7)C	OLV	cyclohexyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate
+c1cc(cc(c1)C#N)CNCCc2ccnc(n2)n3ccnc3	OLW	3-[({2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile
+Cc1c(nc2c(n1)CC=C(C2)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)C6(CCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C	OLY	methyl (1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate
+C(COC[C@@H](C(=O)O)N)N	OLZ	o-(2-aminoethyl)-l-serine
+COc1ccc(cc1)CNC(=O)c2ccccc2C[NH2+]Cc3ccc4c(c3C(=O)O)OCO4	OM1	(4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]azanium
+CC[C@H](C)NC(=O)c1ccccc1C[N@@H+](C)Cc2ccc3c(c2C(=O)O)OCO3	OM2	(r)-[2-[[(2s)-butan-2-yl]carbamoyl]phenyl]methyl-[(4-carboxy-1,3-benzodioxol-5-yl)methyl]-methyl-azanium
+C[N@H+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCO4	OM3	(r)-(4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl]-methyl-azanium
+COc1ccc(cc1Cl)c2ccc(c(c2)Cl)Cl	OM4	1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene
+CC[C@H](C)[C@@H](C(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C)NC(=O)C	OM7	(2r,6s,12z,13as,14ar,16as)-6-[(n-acetyl-l-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-n-[(1-methylcyclo propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl opentadecine-14a(5h)-carboxamide
+c1cc(cc(c1)Cl)COc2ccc(c(c2F)C(=O)N)F	OM8	3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide
+CCC/C=C/C[C@H]1C[C@H]1CCCCCCCCCC(=O)O	OMA	10-{(1r,2r)-2-[(2e)-hex-2-en-1-yl]cyclopropyl}decanoic acid
+[CH2][O]	OMB	oxymethylene bridging group
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	OMC	o2'-methylycytidine-5'-monophosphate
+c1cc(c(cc1O)CC(=O)O)O	OMD	2-(3,6-dihydroxyphenyl)acetic acid
+C[O]	OME	methoxy group
+COc1ccc(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl	OMF	1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O	OMG	o2'-methylguanosine-5'-monophosphate
+CO[P@](=O)(O)OC[C@@H](C(=O)O)N	OMH	o-[(s)-hydroxy(methoxy)phosphoryl]-l-serine
+CN1CC(=O)c2c1cccc2	OMI	1-methyl-1,2-dihydro-3h-indol-3-one
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@H]3C(=O)O	OMJ	(3s)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid
+Cc1ccccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F	OMK	(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-(2-methylphenyl)ethanamide
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5F)C(=O)O)F)F)Cl	OMM	4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid
+Cn1c(c(c(n1)c2cc(c(cc2F)Cl)C(=O)O)Br)C(F)(F)F	OMN	4-bromo-3-(5'-carboxy-4'-chloro-2'-fluorophenyl)-1-methyl-5-trifluoromethyl-pyrazol
+O[Mo+6](=O)O	OMO	mo(vi)(=o)(oh)2 cluster
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O	OMP	orotidine-5'-monophosphate
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	OMR	[(2s,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCC6)C)C(=O)NS(=O)(=O)C7(CC7)C	OMS	1-methylcyclobutyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CS(=O)(=O)CC[C@@H](C(=O)O)N	OMT	s-dioxymethionine
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	OMU	o2'-methyluridine 5'-monophosphate
+CCC1(CCCC1)OC(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)Oc5c(nc6ccc(cc6n5)OC)C)C(=O)NS(=O)(=O)C7(CC7)C	OMV	1-ethylcyclopentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+c1cc(cc(c1)C(F)(F)F)COc2ccc(c(c2F)C(=O)N)F	OMW	2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
+c1cc(ccc1[C@H]([C@@H](C(=O)O)N)O)O	OMX	(betar)-beta-hydroxy-l-tyrosine
+c1cc(c(cc1[C@H]([C@@H](C(=O)O)N)O)Cl)O	OMY	(betar)-3-chloro-beta-hydroxy-l-tyrosine
+c1cc(c(cc1[C@H]([C@H](C(=O)O)N)O)Cl)O	OMZ	(betar)-3-chloro-beta-hydroxy-d-tyrosine
+c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CN)O)O)N)O)O)N)N)N)O	ON0	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-o-benzylidene-2-deoxy-alpha-d-glucopyranoside
+c1cc(c(cc1Cc2nc(c(c(n2)O)O)C(=O)O)Cl)Cl	ON1	2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
+Cc1c(c(c([nH]1)C(=O)Nc2nc3ccc(cc3s2)NC(=O)CCN)Cl)Cl	ON2	n-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1h-pyrrole-2-carboxamide
+Cc1c(cc(cc1OC)[C@H]([C@H](COc2ccc(cc2)C3(CC3)C(=O)O)OC4Cc5ccccc5C4)O)OC	ON3	1-(4-{[(2s,3r)-2-(2,3-dihydro-1h-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan ecarboxylic acid
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C	ON4	1-methylcyclopropyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O)O	ON5	(z)-7-[(1r,2r,3r,5r)-5-chloranyl-3-oxidanyl-2-[(e,3s)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
+c1cc(c(c(c1)Cl)CS(=O)(=O)c2ccc3c(c2)NC(=O)/C(=C/c4ccc(c(c4)[N](=O)O)O)/S3)Cl	ON6	(2~{z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{h}-1,4-benzothiazin-3-one
+Cc1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CC(=O)O)O)OC	ON7	{1-[(2s,3s)-2-(2,3-dihydro-1h-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1 h-pyrrol-3-yl}acetic acid
+[H]/N=C(/N)\NOCC[C@@H](C=O)N	ON8	1-[(3~{s})-3-azanyl-4-oxidanylidene-butoxy]guanidine
+CC(=O)c1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CCC(=O)O)O)OC	ON9	3-{1-[(2s,3s)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1h-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1h-pyrrol-3-yl}propanoic acid
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	ONA	3'-o-[2-(methylamino)benzoyl]adenosine 5'-(tetrahydrogen triphosphate)
+c1ccc2c(c1)C=Cc3ccccc3N2	ONB	5h-dibenzo[b,f]azepine
+Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5	ONC	7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4h)-one
+c1ccc(c(c1)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N)N	OND	4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
+C1=CN(C=CC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	ONE	1-(beta-d-ribofuranosyl)-pyridin-4-one-5'-phosphate
+c1ccc2c(c1)CN(C2)C(=O)c3ccc(c(c3)Sc4ccc5c(c4)OCCO5)O	ONG	{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2h-isoindol-2-yl)methanone
+C(C[C@@H](C(=O)O)N)CNO	ONH	n~5~-hydroxy-l-ornithine
+Cc1ccc(cc1C)Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3	ONJ	(1,3-dihydro-2h-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H](C(=C)C)O	ONK	n-hexanoyl-l-valyl-n~1~-[(3s,4s)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide
+CC(=O)CC[C@@H](C(=O)O)N	ONL	5-oxo-l-norleucine
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	ONM	3'-o-(n-methylanthraniloyl)-guanosine-5'-triphosphate
+c1ccc(c(c1)CC(=O)O)CNC(=O)[C@@H]2CSSCC[C@@H](C(=O)N[C@H](CC(=O)N2)Cc3ccc(cc3)O)N	ONN	2-[2-[[[(4~{r},8~{s},11~{s})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid
+CC(C)(C)[C@@H](C=O)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc(cc3)C(N)N)OC	ONO	2-[2-({[4-(diaminomethyl)phenyl]amino}carbonyl)-6-methoxypyridin-3-yl]-5-{[(1-formyl-2,2-dimethylpropyl)amino]carbonyl}benzoic acid
+[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccccc1[N+](=O)[O-])(F)(F)F	ONP	o-nitrophenyl aminoethyldiphosphate beryllium trifluoride
+COc1ccc(cc1)C(=O)NCC(=O)N	ONQ	~{n}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide
+c1cc(c(cc1Cl)c2ccno2)O	ONR	4-chloro-2-isoxazol-5-yl-phenol
+Cn1c2ccc(c(c2cc1C(=O)NC3(COC3)c4ccc(cc4)[C@@H](c5cccnc5)C(=O)O)Cl)Cl	ONS	(2s)-(4-{3-[(4,5-dichloro-1-methyl-1h-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid
+C[C@@H](COCCOC)N	ONT	(2~{s})-1-(2-methoxyethoxy)propan-2-amine
+c1cc(ccc1[C@@H](CO)NC(=O)c2cc3cc(c(cc3[nH]2)OC[C@@H]4CNC(=O)O4)Cl)C(=O)O	ONV	4-{(1s)-1-[(5-chloro-6-{[(5s)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1h-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid
+C[C@H](CO[C@H](C)COCCOC)N	ONW	(2~{r})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
+CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@H](C=CCCCCCCCCCCCCCCC)O	ONX	n-[(2r,3s)-3-oxidanylicos-4-en-2-yl]icosanamide
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N(C)CCc3nc(on3)C	ONY	2-[4-(4-cyano-3-methylphenoxy)phenyl]-n-methyl-n-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
+c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O	ONZ	2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid
+Cc1ccc(cc1)NC(=O)O	OO1	(4-methylphenyl)carbamic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4	OO2	[(2~{r},3~{s},4~{r},5~{r})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid
+COC(=O)N[C@@H](C1CC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OO4	methyl [(1s)-1-cyclopropyl-2-({(2s,3s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
+c1c2c(nc(nc2n(n1)[C@H]3[C@@H]([C@@H]([C@H](O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4	OO5	[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid
+Cc1c2nc(c(n2ccn1)NC(=O)NCc3cc(ccc3OC(F)(F)F)COC)c4ccccc4	OO7	n-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-n'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
+c1ccc(cc1)CNC(=O)COc2ccccc2P(=O)(O)O	OO8	[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid
+CCCCCC(=O)CC(=O)O	OOA	3-oxooctanoic acid
+c1ccc(cc1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	OOB	5'-o-[(r)-(benzoyloxy)(hydroxy)phosphoryl]adenosine
+CCCCCCCCS[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	OOC	octyl 4-o-beta-d-allopyranosyl-1-thio-beta-d-altropyranoside
+CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)COC(=O)c3ccc(cc3)n4cnnn4	OOD	2-[(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)amino]-2-oxoethyl 4-(1h-tetrazol-1-yl)benzoate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6N=C(NC7=O)N)O)F)N	OOE	2',2'-difluoro-3',3'-cgamp
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F)F)Cl	OOF	4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
+C(CC(=O)C(=O)O)CC(=O)O	OOG	2-oxoadipic acid
+CCCCC(=O)C1=C(C(=O)c2c(c(cc(c2O)O)O)C1=O)O	OOH	3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione
+CC1=CN2C(=NC(=CC2=O)CSc3nnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F)C=C1	OOJ	n-(5-{[(7-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-n'-[3-(trifluoromethyl)phenyl]urea
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5c(cc(cc5F)C(=O)O)F)F)F)Cl	OOK	4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid
+CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)CSc3nnnn3c4ccc(cc4)O	OOM	n-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1h-tetrazol-5-yl]sulfanyl}acetamide
+CCOC(=O)[C@H](CC(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOO	ethyl (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)[C@H](CO)C(=C)CCO[P@](=O)(O)OP(=O)(O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	OOP	1-deoxy-1-[(4ar)-4a-[(2r)-1-hydroxy-5-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+CC(C)C[C@@H](C(=O)[O-])[NH2+]C1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOQ	(2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate
+CC(C)C[C@@H](C(=O)N)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOS	(2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide
+CC(C)C[C@@H](C(=O)NC)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOU	(2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{n},4-dimethyl-pentanamide
+CC(C)C[C@@H](C(=O)N(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOV	(2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{n},~{n},4-trimethyl-pentanamide
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)COP(=O)(O)O)O)OC(=O)C	OOW	{[(2r,3s,4r,5s,6r)-5-acetamido-3-hydroxy-4-(2-oxopropyl)-6-(phosphonooxy)oxan-2-yl]methoxy}phosphonic acid
+c1ccc(cc1)Oc2cccc(c2)C(=O)Nc3ccc(cc3N4CCOCC4)N5CCOCC5	OOY	n-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide
+CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)O)C)\C	OOZ	(1~{r},9~{s},12~{s},13~{r},14~{s},17~{r},18~{e},21~{s},23~{s},24~{r},25~{s},27~{r})-17-ethyl-25-methoxy-12-[(~{e})-1-[(1~{r},3~{r},4~{r})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NOCCN	OP0	(2s,5r)-n-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N1[C@H](CCC1=O)C(=O)O	OP1	1-[(1s)-4-carbamimidamido-1-carboxybutyl]-5-oxo-d-proline
+C(COCCOCCOCCOCCOCC(=O)O)O	OP2	2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid
+CC(C)N(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C)F	OP4	5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-n,n-di(propan-2-yl)benzamide
+C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC(=O)C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC	OP5	(1~{r},9~{s},12~{s},13~{r},14~{s},17~{r},18~{e},21~{s},23~{s},24~{r},25~{s},27~{r})-23,25-dimethoxy-12-[(~{e})-1-[(1~{r},3~{r},4~{r})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
+COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OP7	methyl [(1s)-1-cyclopentyl-2-({(2s,3s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
+CC[C@@H]1[C@@H]2[C@](O2)(C[C@@H](C[C@@H]([C@@H]3[C@H](C[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C)O)C)OC)OC)C)C	OP8	(1ar,3r,5s,6r,7s,9r,10r,17as,20s,21r,22s,25r,25ar)-25-ethyl-10,22-dihydroxy-20-{(1e)-1-[(1r,3r,4r)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2h-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1ah,14h)-tetrone
+C1COCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O	OPA	2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid
+CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3	OPB	4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
+CCCCCCCCC\C=C/CCCCCCC(=O)OC[C@](C)(CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C\CCCCCCCCC	OPC	(7r,17e)-4-hydroxy-n,n,n,7-tetramethyl-7-[(8e)-octadec-8-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-17-en-1-aminium 4-oxide
+CCC=CC[C@@H]1[C@@H](C=CC1=O)CCCCCCCC(=O)O	OPD	9r,13r-12-oxophytodienoic acid
+C(COP(=O)(O)O)N	OPE	phosphoric acid mono-(2-amino-ethyl) ester
+CCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O	OPF	(2s)-2-[[(2s)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
+C1[C@@H]([C@H]([C@@H]([C@]2([C@@H]1O2)CO)O)O)O	OPG	oxiranpseudoglucose
+COC(=O)[C@H](Cc1ccccc1)O	OPH	2-hydroxy-3-phenyl-propionic acid methyl ester
+CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCO)O	OPI	pantothenyl-aminoethanol-11-pivalic acid
+COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OPJ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate
+CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCNC(=O)OCc1ccc(cc1)[N+](=O)[O-])N	OPK	(2~{s})-2-[[(2~{s})-2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid
+C[C@H]([C@H](C=O)O)C(O)O	OPL	(2r,3r)-2,4,4-trihydroxy-3-methylbutanal
+CCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	OPM	pentyl alpha-d-mannopyranoside
+c1cc2c(nc1)NC(=O)C(=C2)CC(=O)N(CC[NH3+])CC(=O)O	OPN	{(2-amino-ethyl)-[2-(2-oxo-1,2-dihydro-[1,8]naphthyridin-3-yl)-acetyl]-amino}-acetic acid
+c1ccc(c(c1)[N+](=O)[O-])O	OPO	o-nitrophenol
+C1=CC(=O)N(C1=O)COCN2C(=O)C=CC2=O	OPP	1-[pyrrol-1-yl-2,5-dione-methoxymethyl]-pyrrole-2,5-dione
+CCCCNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)Cc1ccc2ccccc2c1)O	OPQ	((3s,4s)-4-((2s,3s)-2-(2-(napthalen-6-yl)acetamido)-3-methylpentanamido)-n-butyl-3-hydroxy-6-methylheptanamide)
+[H]/N=C(\N)/NCCC[C@@H](C(=O)CCC(=O)O)N	OPR	(5s)-5-amino-8-carbamimidamido-4-oxooctanoic acid
+C(CSC(=O)CC[S-])C=O	OPS	3-oxo-3-[(3-oxopropyl)sulfanyl]propane-1-thiolate
+c1ccc(cc1)CCNC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CCCNC(N)N)NC(=O)[C@H](CSCc3ccccc3)NC(=O)Cc4ccc(cc4)c5ccccc5	OPT	s-benzyl-n-(biphenyl-4-ylacetyl)-l-cysteinyl-n~5~-(diaminomethyl)-d-ornithyl-n-(2-phenylethyl)-l-tyrosinamide
+C[C@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O	OPV	~{n}-[(4~{s},5~{s})-2-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide
+CC(=O)Nc1cc(cnc1)c2nc3cc(ccc3s2)OC	OPW	~{n}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide
+C1CCC(CC1)NCC2(C[C@H]([C@H](C2)O)O)S(=O)(=O)O	OPX	(1s,3r,4s)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid
+C1CCN(CC1)C(=O)[C@H](CCN)N	OPY	(3s)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine
+C[C@@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O	OPZ	~{n}-[(4~{s},5~{r})-2-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide
+CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)C(F)F)O)O	OQ1	(3ar,5s,6s,7r,7ar)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+CCC(=O)N1CC[C@H](C1)Nc2nccc(n2)Oc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)CC	OQ2	~{n}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{r})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
+CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O	OQ5	20-[[(2~{s})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid
+COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OQ7	methyl [(1s)-1-cyclopentyl-2-({(2s,4s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
+CCC(=O)N1CC[C@@H](C1)Nc2nccc(n2)Oc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)CC	OQ8	~{n}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{s})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
+CC[C@@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQA	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+c1ccc2c(c1)ncc(n2)Nc3ccc(cc3)C(=O)NCc4ccc(cn4)C(=O)N[C@@H](CC(=O)O)C=O	OQB	4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid
+c1cc(c(cc1CN)Cl)c2ccoc2	OQC	[3-chloranyl-4-(furan-3-yl)phenyl]methanamine
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQD	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+c1ccc(cc1)CCNC(=O)COc2ccccc2P(=O)(O)O	OQE	[2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQG	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+CCNC(=O)CCC(=O)c1ccccc1	OQH	~{n}-ethyl-4-oxidanylidene-4-phenyl-butanamide
+COc1ccc(cc1NC(=O)Nc2ccc3c(c2)sc(n3)NC(=O)c4ccccc4)Cl	OQJ	n-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide
+Cc1c(c(n2c(n1)nc(n2)c3cccnc3)C)CC(=O)Nc4cccc(c4)C(F)(F)F	OQM	2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-n-[3-(trifluoromethyl)phenyl]acetamide
+CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N=C(NC3=O)N	OQN	6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OQP	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3s,5s)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate
+CNc1[nH]c2cc3c(c(c2n1)CCc4ccc(cc4)C(F)(F)F)NC(=NC3=O)N	OQQ	6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CC(C)NC[C@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO	OQR	{(2r)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
+COc1ccc(cc1)n2c3c(cn2)C(=O)N(C=N3)CC(=O)Nc4cc(ccc4Cl)C(F)(F)F	OQS	n-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5h-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
+c1ccc2c(c1)CC=C[C@@H]2Nc3c(cc(c(c3S(=O)(=O)N)F)F)F	OQT	2-[(1s)-1,2,3,4-tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQV	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3s,5s)-3-hydroxy-5-{[n-(methoxycarbonyl)-3-methyl-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+c1c(c(c(c(c1F)F)S(=O)(=O)N)NC2CCCCCCC2)F	OQW	2-(cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQY	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-3-methyl-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(s3)Cl)N	OQZ	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)C	OR1	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
+c1ccc(cc1)COc2ccc3c(c2)occ3CC(=O)O	OR4	[6-(benzyloxy)-1-benzofuran-3-yl]acetic acid
+C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O	OR5	open form of ribofuranose-5'-phosphate
+CN(CCOC)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl	OR7	2-chloro-n-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide
+Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3c(nn(c3Cl)C)C	OR8	2-chloro-n-[[4-(3,5-dimethylisoxazol-4-yl)phenyl]methyl]-1,4-dimethyl-1h-pyrazole-4-sulfonamide
+CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O	OR9	(6ar)-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-10,11-diol
+c1ccc(cc1)/N=N/c2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O	ORA	7-hydroxy-8-[(e)-phenyldiazenyl]naphthalene-1,3-disulfonic acid
+Cc1c(c(on1)C)S(=O)(=O)N[C@H](C)c2ccc(cc2)c3cc(cnc3Cl)F	ORB	n-{(1r)-1-[4-(2-chloro-5-fluoropyridin-3-yl)phenyl]ethyl}-3,5-dimethylisoxazole-4-sulfonamide
+Cc1c(c(on1)C)c2ccc(cc2)[C@@H](C)NS(=O)(=O)c3c(noc3C)C	ORC	(r)-n-[1-[4-(3,5-dimethylisoxazol-4-yl)phenyl]ethyl]-3,5-dimethylisoxazole-4-sulfonamide
+C(C[C@H](C(=O)O)N)CN	ORD	d-ornithine
+c1cc(c(cc1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C=C3Oc4c2cc(c(c4)O)F)F	ORE	4-(2,7-difluoro-6-hydroxy-3-oxo-3h-xanthen-9-yl)isophthalic acid
+C1CCC(CC1)Nc2nc(nc(n2)N3CCNCC3)C#N	ORG	4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
+c1cc(cc(c1)N2C(=O)N(C(=O)C(=N2)C#N)CCCN3CCCCC3)C(F)(F)F	ORH	3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
+c1ccc2c(c1)c(ccc2O)/N=N/c3ccc(cc3)S(=O)(=O)O	ORI	4-[(e)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
+CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F	ORJ	2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-n-methylacetamide
+C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O	ORK	(2~{s})-2-[[(2~{s})-4-methyl-2-[[oxidanyl-[(1~{s})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid
+CC(C)NS(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl	ORM	2-chloro-n-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide
+C(C[C@@H](C(=O)O)N)CN	ORN	l-ornithine
+C1=C(NC(=O)NC1=O)C(=O)O	ORO	orotic acid
+C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O	ORP	2-deoxy-5-phosphono-ribose
+CC(=O)NCCC[C@@H](C(=O)O)N	ORQ	n~5~-acetyl-l-ornithine
+CC12C3([Rh]145(C2(C4(C53C)C)C)(Cl)Cl)C	ORS	dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium
+C(CC(=O)NN)[C@@H](C=O)N	ORT	(4~{s})-4-azanyl-5-oxidanylidene-pentanehydrazide
+C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	ORV	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+[H]/N=C\N(C)N(C)C(=O)[C@H](CC(C)C)NC(=O)NCc1ccccc1	ORW	1-[(2~{s})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCCN)C(=O)O)O	ORX	n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-d-ornithine
+[Os+3]	OS	osmium ion
+c1ccc2c(c1)c3c4c(c5c6c3n2[Ru]7([N]6=CC(=C5)N)(NCC8=[N]7C=CC=C8)(C#O)Cl)C(=O)NC4=O	OS1	ruthenium octasporine
+C#CCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	OS2	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol
+C#CCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	OS3	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol
+[Os+4]	OS4	osmium 4+ ion
+c1ccc(cc1)Cn2cc(nn2)CCCSC[C@H]3CN(C[C@@H]3O)Cc4c[nH]c5c4ncnc5N	OS5	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1h-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol
+CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N	OS6	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1h-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N	OS7	7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC	OS8	(4~{r})-~{n}-[3-(7-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
+c1cc2c(cc1N)cc(c(c2O)/N=N/c3ccc4c(c3)cc(cc4O)S(=O)(=O)O)S(=O)(=O)O	OSA	7-amino-4-hydroxy-3-[(e)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
+c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O	OSB	2-succinylbenzoate
+c1ccc(cc1)C[C@H](C(=O)N2[C@H]3C[C@@H](CC[C@H]3C[C@H]2C(=O)NCCC4=CCN(C4)C(=N)N)O)NC(=O)[C@@H](Cc5ccccc5)O	OSC	(2r,3as,6r,7as)-n-(2-{1-[amino(imino)methyl]-2,5-dihydro-1h-pyrrol-3-yl}ethyl)-6-hydroxy-1-{n-[(2s)-2-hydroxy-3-phenylpropanoyl]phenylalanyl}octahydro-1h-indole-2-carboxamide
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N	OSD	7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine
+C([C@@H](C(=O)O)N)OS(=O)(=O)O	OSE	o-sulfo-l-serine
+CCCCCCCCOS(=O)(=O)[O-]	OSF	octyl sulfate
+CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C	OSG	7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine
+CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C	OSJ	7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine
+C([C@H](C(=O)O)O)OS(=O)(=O)O	OSL	(2r)-2-hydroxy-3-(sulfooxy)propanoic acid
+C(N)[S@@H]=O	OSM	1-(oxidosulfanyl)methanamine
+C[C@@H]1CC(=O)Nc2cccc(c2N1)/C=C/CCCN3CCCc4c3cc(cc4)OC	OSN	(4~{r})-6-[(~{e})-5-(7-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
+c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N	OSP	sulthiame
+C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCC(CN3CCCc4c3cccc4)(F)F	OSQ	(3~{r})-~{n}-[3-(3,4-dihydro-2~{h}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-quinoxaline-5-carboxamide
+C(CCC(=O)O)C[C@@H](CCSCN)SSCCO	OSS	6-(hydroxyethyldithio)-8-(aminomethylthio)octanoic acid
+CO\C=C(/c1ccccc1\C=C\c2ccccc2)\C(=O)OC	OST	methyl (2z)-3-methoxy-2-{2-[(e)-2-phenylvinyl]phenyl}acrylate
+CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	OSU	n-octanoylsucrose
+CC(C)Oc1ccc2c(c1)C3=C4C(C5=CC(=CN6C5=C3N2[Ru]678(S9CCS7CCS8CC9)NC#S)F)C(=O)NC4=O	OSV	ruthenium octasporine 4
+B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCCS(=O)(=O)N)CCCS(=O)(=O)N	OSW	metala-carborane di-propyl-sulfonamide
+Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N	OSY	7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N5CCNCC5)N	OSZ	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CC12C3([Ir]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C	OT1	2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole
+c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O	OT2	7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{h}-naphthalene-1,3-disulfonic acid
+Cc1cc(nc2c1ccc(c2)c3cccc(c3)CCN)N	OT4	7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
+CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl	OT5	1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone 
+c1ccc(cc1)Oc2ccc(cc2)n3cc(nn3)CNc4ccnc(c4)C(F)(F)F	OT8	~{n}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
+C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O	OTA	2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid
+CC(C)(C)OC(=O)O	OTB	tertiary-butoxyformic acid
+C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@@H]31)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O	OTC	oxytetracycline
+C1=C(NC(=O)N[C@H]1C(=O)O)C(=O)O	OTD	2-oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylic acid
+CCCCCCCCOCCOCCOCCOCCO	OTE	2-{2-[2-(2-octyloxy-ethoxy)-ethoxyl]-ethoxy}ethanol
+c1ccc(cc1)[C@@H]2[C@H]([C@@]2(C(=O)NO)F)c3ccc(cc3)c4ncc(cn4)F	OTF	(1s,2s,3s)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide
+Cc1ccccc1C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O	OTG	2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-d-glucopyranose
+C[C@H]([C@@H](C(=O)O)NC)OC	OTH	n,o-dimethyl-l-threonine
+COC(=O)Nc1ccc(cc1)c2c([nH]c(n2)CNC(=O)CCc3cc(ccc3N4C=NNN4)Cl)Cl	OTJ	methyl n-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1h-imidazol-4-yl]phenyl]carbamate
+CCCC(=O)O[C@H]1C[C@]([C@H]2C[C@H]([C@@H]([C@H]2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C	OTK	(3s,3ar,4s,6s,6as,8r,9r,9ar,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate
+c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)c3[nH]nnn3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	OTM	(2s)-2-[[(e)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-n-[4-(1h-1,2,3,4-tetrazol-5-yl)phenyl]propanamide
+c1ccc(c(c1)[N+](=O)[O-])S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	OTN	2-nitrophenyl 1-thio-beta-d-galactopyranoside
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C	OTP	(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl trihydrogen diphosphate
+c1cc(oc1[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2)[N+](=O)[OH-]	OTQ	(2~{s})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{h}-[1]benzothiolo[2,3-d]pyrimidin-4-one
+c1cc(ccc1[C@H](CN)O)O	OTR	4-(2r-amino-1-hydroxyethyl)phenol
+c1cc(ccc1[C@@H](CN)O)O	OTS	4-(2s-amino-1-hydroxyethyl)phenol
+C/C=C/C=C/C=C/C(=O)O	OTT	(2e,4e,6e)-octa-2,4,6-trienoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O	OTU	3-o-alpha-d-glucopyranosyl-d-fructose
+Cc1cc(nc2c1cc(cc2)N)N	OTW	4-methylquinoline-2,6-diamine
+c1cc(c(cc1O)O)C[C@@H](C(=O)O)N	OTY	2-hydroxy-l-tyrosine
+c1c(nc(o1)CN)c2nc(cs2)C(=O)O	OTZ	2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N	OU1	7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine
+CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4	OU2	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N	OU4	7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+C[C@H]1CN(CCN1c2cc(cc(c2)F)F)C(=O)CC[C@@]3(C(=O)NC(=O)N3)C4CC4	OU5	(5~{s})-5-[3-[(3~{s})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs4)N	OU7	7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N	OUA	7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine
+c1c2c(co1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	OUB	(s)-1-(2'-amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione
+Cc1cc(cc(c1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)C)O	OUC	(3~{s},6~{s})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
+C([C@@H](CNC(=O)O)N)C(=O)O	OUD	(3~{s})-3-azanyl-4-(carboxyamino)butanoic acid
+C(CC(=O)O)[C@@H](CNC(=O)O)N	OUE	(4~{s})-4-azanyl-5-(carboxyamino)pentanoic acid
+Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N	OUG	7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine
+c1c([nH]cn1)C[C@@H](CNC(=O)O)N	OUH	[(2~{s})-2-azanyl-3-(1~{h}-imidazol-5-yl)propyl]carbamic acid
+CC[C@H](C)[C@@H](CNC(=O)O)N	OUI	[(2~{s},3~{s})-2-azanyl-3-methyl-pentyl]carbamic acid
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn4)N	OUJ	7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+C(CC[NH3+])C[C@@H](CNC(=O)O)N	OUK	[(5~{s})-5-azanyl-6-(carboxyamino)hexyl]azanium
+c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)N	OUL	4-(4-aminocarbonylphenoxy)benzamide
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc(cc4)C#N)N	OUM	4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N	OUP	7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine
+CC1(CO[C@@H](CN1)c2cccc(c2)F)C	OUQ	(2~{r})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine
+C(C[C@@H](CNC(=O)O)N)CNC(=[NH2+])N	OUR	[azanyl-[[(4~{s})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N	OUS	7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+C(=O)(N)O	OUT	carbamic acid
+CNc1ccnc(c1)C(=O)NC	OUW	~{n}-methyl-4-(methylamino)pyridine-2-carboxamide
+COC(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O	OUY	methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate
+CCNCCN1C[C@@H](OC[C@H]1C)c2ccccc2	OUZ	~{n}-ethyl-2-[(2~{s},5~{r})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC[S@](=O)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CO)O	OV1	n-[(2s)-1-({(2s)-1-{[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(r)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CO)O	OV2	n-hexanoyl-l-valyl-n~1~-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide
+C(C(=O)O)S[C@H](C(=O)O)N	OV7	(2r)-amino[(carboxymethyl)sulfanyl]acetic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CN)O)O)N	OV8	[(2~{r},3~{s},4~{s},5~{r})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC(=CC[C@@H]1[C@@](O1)(C)[C@]2([C@@H](C(=O)CC[C@@]2(C)O)OC)O)C	OVA	3,4-dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-but-2-enyl) -oxiranyl]-cyclohexanone
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccc(cc3)OC(F)(F)F)O)O)N	OVB	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)S)N	OVE	2'-o-(sulfidophosphinato)adenosine
+CCCCOc1ccc2c(c1)occ2CC(=O)O	OVG	(6-butoxy-1-benzofuran-3-yl)acetic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccccc3)O)O)N	OVH	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O	OVJ	{6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)CCn2nc(nn2)c3ccccc3)O)O)N	OVK	[(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+COc1cccc(c1)C(=O)O	OVM	3-methoxybenzoic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCCCO)O)O)N	OVN	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(4-oxidanylbutyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CSc1cccc(c1)C(=O)O	OVP	3-(methylsulfanyl)benzoic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3cccnc3)O)O)N	OVQ	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+c1ccc(cc1)Oc2ccc3c(c2)occ3CC(=O)O	OVS	(6-phenoxy-1-benzofuran-3-yl)acetic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCc3ccccc3)O)O)N	OVT	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(2-phenylethyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+Cc1cccc(c1)C(=O)O	OVV	3-methylbenzoic acid
+CCCCCCCCc1cn(nn1)CCC[C@@H]2CO[C@@H]([C@H]([C@H]2O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N	OVW	[(2~{r},3~{s},4~{s},5~{r})-5-[3-(4-octyl-1,2,3-triazol-1-yl)propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC(=O)N[C@H]([C@H](C/C(=N\O)/C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	OVY	(2e,4s,5r,6r,7s,8r)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name)
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNCc3ccccc3)O)O)N	OVZ	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)amino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)NCc3ccccc3)O)O)N	OW2	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)carbamoylamino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CNc1cccc(c1)C(=O)O	OW4	3-(methylamino)benzoic acid
+CCCCCc1ccc(cc1)c2cn(nn2)CCC[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N	OW5	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CCOc1cccc(c1)C(=O)O	OW7	3-ethoxybenzoic acid
+CNC(=O)c1c2c([nH]n1)CCC2	OW8	~{n}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
+CN1C[C@H](CC1=O)CC(=O)OC	OWA	methyl [(3r)-1-methyl-5-oxopyrrolidin-3-yl]acetate
+CC(=O)Nc1cccc(c1)Oc2cc(nc(n2)c3ccncc3)[C@@H]4CCCNC4	OWB	~{n}-[3-[6-[(3~{r})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide
+c1cc(ccc1CC(=O)O)Oc2cnc3cc(ccc3n2)Cl	OWD	{4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
+COc1ccc(cc1)[C@H]2c3cc(c(cc3CNN2C(=O)CCc4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)OC)OC	OWG	3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1h)-yl]propan-1-one
+CNC(=S)c1cccnc1	OWH	~{n}-methylpyridine-3-carbothioamide
+Cc1cc(cc(c1)[C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)C	OWJ	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(3,5-dimethylphenyl)phthalazin-2(1h)-yl]prop-2-en-1-one
+[B]1B2B13B4B56B2B578B649[Co]7124567(B9[C+]31(C82)CCS(=O)(=O)N)B1B2B38B229B1B212B93B41(B52)[C+]68(C7)CCS(=O)(=O)N	OWK	metala-carborane di-ethyl-sulfonamide
+c1cc(ccc1Nc2ccc(cc2)Nc3[nH]ccn3)Nc4[nH]ccn4	OWL	n-1h-imidazol-2-yl-n'-[4-(1h-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@@H](c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N	OWM	(2e)-1-[(1r)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one
+COC(=O)c1ccc2c(c1)N(CCN2C(=O)C=C)CC3CC3	OWN	methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3CN2)Cc4ccccc4)Cc5cnc(nc5N)N	OWP	(2e)-1-[(1s)-1-benzylphthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one
+COc1ccc(cc1)n2c3c(cnc(n3)N[C@@H]4CCN(C4)c5ccncc5)nn2	OWQ	3-(4-methoxyphenyl)-~{n}-[(3~{r})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
+Cc1ccc(cc1)[C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N	OWS	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(4-methylphenyl)phthalazin-2(1h)-yl]prop-2-en-1-one
+CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)[C@H](CCCCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O	OWT	~{n}-[(5~{s})-6-azanyl-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide
+CCC(CC)[C@H]1c2ccccc2CNN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	OWV	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1h)-yl]prop-2-en-1-one
+C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@@H](c2ccccc2)c3ccc(cc3)OC(F)(F)F)N(C(=O)N)O	OWW	3-[(3~{r})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{n}-[(3~{s})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide
+CCN(CC)C(=O)c1ccc(cc1)[C@H](c2cccc(c2)O)N3C[C@H](N(C[C@@H]3C)Cc4ccccc4)C	OWY	4-[(r)-[(2s,5r)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-n,n-diethylbenzamide
+C[C@H]1CO[C@@H](CN1)c2ccccc2Cl	OWZ	(2~{r},5~{s})-2-(2-chlorophenyl)-5-methyl-morpholine
+O	OX	bound oxygen
+CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O	OX1	[2'-carboxylethyl]-10-methyl-anthracene endoperoxide
+Cc1nnc(o1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	OX2	(1r)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-d-glucitol
+c1cc(ccc1C=NOC(=O)C2CCCCC2)O	OX3	4-hydroxybenzaldehyde o-(cyclohexylcarbonyl)oxime
+c1cc(c(cc1\C=N\OC(=O)C2CCCCC2)F)O	OX4	3-fluoro-4-hydroxybenzaldehyde o-(cyclohexylcarbonyl)oxime
+CC(C)(C)CC(=O)O/N=C/c1ccc(cc1)O	OX5	4-hydroxybenzaldehyde o-(3,3-dimethylbutanoyl)oxime
+CC(C)[C@H](c1nnco1)NC(=O)OC(C)(C)C	OX6	tert-butyl [(1r)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
+CC(C)[C@@H](c1nnco1)NC(=O)OC(C)(C)C	OX7	tert-butyl [(1s)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
+CC[O]	OXA	oxydimethylene group
+Cc1ccc(c(c1)[C@@H]2CN([C@H](CO2)C)CCCS(=O)(=O)N)C	OXB	3-[(2~{r},5~{s})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide
+C1(NC(=O)NC(=O)N1)C(=O)O	OXC	oxonic acid
+C(=O)(C(=O)O)O	OXD	oxalic acid
+Cc1ccccc1C	OXE	ortho-xylene
+C12=NC(=O)N=C1N=C(NC2=O)N	OXG	8-oxoguanine
+CCN1C=C(C(=O)c2c1cc3c(c2)OCO3)C(=O)O	OXI	oxolinic acid
+CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	OXJ	1-[3,5-bis(trifluoromethyl)phenyl]-n-methylmethanamine
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(=O)O)O	OXK	oxalyl-coenzyme a
+C(=O)(C(=O)[O-])[O-]	OXL	oxalate ion
+C(=O)(C(=O)O)N	OXM	oxamic acid
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	OXN	oxtoxynol-10
+O	OXO	oxo group
+C\C=C/C(=O)C(=O)O	OXP	2-oxo-3-pentenoic acid
+c1(c(non1)O)C(=O)O	OXQ	4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
+CC1=C(C(CCC1=O)(C)C)\C=C\C(=C\C=C\C(=C\CO)\C)\C	OXR	4-oxoretinol
+C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O	OXS	2-oxalosuccinic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	OXT	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1r,11r,15s,17r)-19-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium 
+CCCCC(=O)NCCOCCOCCOCCNC(=O)C[N]1=C(Sc2c1cccc2)CC3=CC=[N](c4c3cccc4)C	OXV	~{n}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
+CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5ccc(cc5C#N)F	OXW	5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile
+C([C@@H](C(=O)O)N)C(=O)OC(=O)C(=O)[O-]	OXX	oxalyl-aspartyl anhydride
+O=O	OXY	oxygen molecule
+C1[C@H]([C@@H]([C@H](ON1)CO)O)O	OXZ	tetrahydrooxazine
+CCC[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)C(C)(C)C	OY0	(2s)-2-tert-butyl-n-(4-sulfamoylphenyl)pentanamide
+CCC(=O)N1CCN(c2c1ccc(c2)C(=O)OC)CC	OY2	methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate
+CC(=O)NCCSc1c(non1)/C(=N/O)/N[C@H]2Cc3c2cc(cc3)F	OY4	n-{2-[(4-{n-[(7s)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-n'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide
+B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCS(=O)(=O)N)CCS(=O)(=O)N	OY5	ca ix mimic
+B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCS(=O)(=O)N)CCS(=O)(=O)N	OY8	metala-carborane di-ethyl-sulfonamide
+CCCCCCCC=O	OYA	octanal
+COc1ccc(cc1)n2c3c(cnc(n3)NC4CCC(CC4)N)nn2	OYB	~{n}4-[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine
+CC/C=N/C1=C(NC(=O)NC1=O)NCCCCCO	OYD	6-[(5-hydroxypentyl)amino]-5-[(e)-propylideneamino]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C[n+]2cn(c3c2C(=O)N=C(N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O	OYE	bn7gpppg mrna 5' cap analog
+CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)C	OYG	6-methyl-5-[(1e)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1h,3h)-dione
+CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl	OYJ	(3r,4r)-1-methanesulfonyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-3-fluoro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+CNc1c2c(ncn1)n(cn2)C	OYK	~{n},9-dimethylpurin-6-amine
+CCn1cc(nc1)C[C@@H](C(=O)O)N	OYL	1-ethyl-l-histidine
+CNc1c2c([nH]cn2)nc(n1)Cl	OYN	2-chloranyl-~{n}-methyl-9~{h}-purin-6-amine
+CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O	OYP	3-{4-[(tridec-2-yn-1-yloxy)methyl]phenyl}propanoic acid
+CC[C@H](C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N	OYQ	(4s)-4-methyl-n-(4-sulfamoylphenyl)hexanamide
+c1ccc(cc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N	OYS	2-phenyl-n-(4-sulfamoylphenyl)acetamide
+CNc1c2c(ncn1)n(cn2)C3CC3	OYT	9-cyclopropyl-~{n}-methyl-purin-6-amine
+CC(=O)/C=C/C1=C(NC(=O)NC1=O)CC[C@@H]([C@@H]([C@@H](CO)O)O)O	OYV	1,2-dideoxy-1-{2,6-dioxo-5-[(1e)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-d-ribo-hexitol
+c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O)Cl	OYW	4-cl-bn7gpppg mrna 5' cap analog
+CCOc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4)N[C@H](C)C(=O)O)C#N	OYZ	(2~{r})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid
+c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCCO)N	OZ1	4-amino-n-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\CCCCCC	OZ2	(2r)-3-{[(r)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6z)-tridec-6-enoyloxy]propyl (9z)-octadec-9-enoate
+C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)C=CC(O7)(C)C)NC3=O	OZ4	(7as,12s,12ar,13as)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8h,10h-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one
+CC[C@H](C(=O)O)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)C	OZ5	(2~{r})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid
+C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)OC=CC(O7)(C)C)NC3=O	OZ7	(8as,13s,13ar,14as)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4h,8h,9h,11h-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one
+c1ccc(cc1)C[C@H]2CCCN2C3=CC(=CC(=O)N3)N4CCOCC4	OZ8	4-morpholin-4-yl-6-[(2~{r})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{h}-pyridin-2-one
+CC1(c2c(c3ccc(cc3[nH]2)Br)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	OZA	(5as,12as,13as)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCO	OZD	6-[(2-hydroxyethyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
+CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O	OZE	(((r)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-l-leucinate
+COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O	OZG	[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid
+CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O	OZH	(2~{s})-4-methyl-2-[2-[[oxidanyl-[(1~{s})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid
+c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C=O	OZJ	2,4-diamino-6-(3-formylphenyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CC(C)(CC(=O)N[C@@H]1COc2ccccc2N(C1=O)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)N	OZK	3-azanyl-3-methyl-~{n}-[(3~{r})-4-oxidanylidene-5-[[4-[2-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide
+c1ccc(cc1)Cc2ccc3c(c2)occ3CC(=O)O	OZM	(6-benzyl-1-benzofuran-3-yl)acetic acid
+Cc1c(c(n(n1)C2CCN(CC2)CC(=O)N(C)C)C)NC3=NC=C(/C(=C/4\C=N[N]5=C4C=CC=C5)/N3)Cl	OZN	2-[4-[4-[[(6z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1h-pyrimidin-2-yl]amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-n,n-dimethyl-ethanamide
+c1cc(cc(c1)C(=O)N)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@H](O2)n3cnc4c3ncnc4N)O)O	OZP	9-(5-{[(3s)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-d-ribofuranosyl)-9h-purin-6-amine
+CCc1cccc(c1NS(=O)(=O)c2ccc(cc2C)c3cc(co3)C(=O)O)CC	OZQ	5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid
+c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H](CO2)O)O)O)O)[N+](=O)[O-]	OZR	n-[(e)-3-[(2r,3s,4s)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(nc3)C(F)(F)F)O)O)O)O)[N+](=O)[O-]	OZS	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+C[C@@H]1[C@H](NC(=O)O1)C(=O)O	OZT	(4s,5r)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP4(=O)OP(=O)(OP(=O)(OP(=O)(O4)O)O)O)O)O)N	OZV	5'-o-[(r)-hydroxy{[(4r,8s)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine
+c1ccc(cc1)NNc2ccc(cc2)C[C@@H](C(=O)O)N	OZW	phenylhydrazinyl phenylalanine
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](C[C@@H]([C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CN)O)O)N)N)N)O)CO)N)O)O)O	OZY	(1r,2r,3s,4r,6s)-4,6-diamino-2-[(3-o-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-glucopyranosyl}-beta-d-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside
+c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)C=C3)O)O)O)O)[N+](=O)[O-]	OZZ	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NCCCN4C2=O	P	2'-deoxy-n1,n2-propano guanosine monophosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/OCC[C@@H](C(=O)O)N)O	P00	(2s)-2-azanyl-4-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid
+CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl	P01	2-({6-[(3-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methylbutan-1-ol
+CCN(C)S(=O)(=O)Nc1cccc(c1F)c2c(sc(n2)C(C)(C)C)c3ccnc(n3)N	P02	n'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-n-ethyl-n-methylsulfuric diamide
+C(COCCCOCCO)COCCO	P03	2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol
+c1cc2cc(c1)NC(=O)CCCCc3cnn4c3nc(nc4NC5CC5)N2	P04	19-(cyclopropylamino)-4,6,7,15-tetrahydro-5h-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9h)-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccncc3)N	P05	d-phenylalanyl-n-(pyridin-4-ylmethyl)-l-prolinamide
+CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F	P06	dabrafenib
+CCn1c-2c(nn1)-c3ccccc3-c4c(nnn4CC)-c5c2cccc5	P07	1,8-diethyl-1,8-dihydrodibenzo[3,4:7,8][1,2,3]triazolo[4',5':5,6]cycloocta[1,2-d][1,2,3]triazole
+Cc1cc2c(c(c1)[C@H](C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4	P08	pik-108
+Cc1ccc(cc1C)Oc2ccc(cc2)NC(=O)c3ccccc3C(=O)O	P09	2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid
+C(CCC(=O)O)C[C@H](C(=O)O)N	P0A	(2r)-2-aminoheptanedioic acid
+CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2	P0B	6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{h}-pyrimidine-2,4-dione
+CC1=CC2=CN(C(=O)N=C2N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	P0C	6-methyl-3-(beta-d-ribofuranosyl)-3,7-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one
+C[C@H](N)[P@](=O)(C[C@@H](Cc1ccccc1)C(=O)O)OP(=O)(O)O	P0D	(2s)-3-[(s)-[(1r)-1-aminoethyl](phosphonooxy)phosphoryl]-2-benzylpropanoic acid
+CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCO)OC(=O)CCCCCCC\C=C/CCCCCC	P0E	phosphatidyl ethanol
+c1cc(cc(c1)O)c2[nH]c(nn2)NCc3c(cccc3Cl)F	P0F	3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4h-1,2,4-triazol-3-yl)phenol
+Cc1ccccc1CC(C)(C)NC[C@@H](c2ccc(c3c2OCC(=O)N3)O)O	P0G	8-[(1r)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2h-1,4-benzoxazin-3(4h)-one
+c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O)O	P0H	n-[(benzyloxy)carbonyl]glycyl-l-proline
+OP1(=O)OP(=O)(OP(=O)(OP(=O)(O1)O)O)O	P0J	2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone
+CN(Cc1ccco1)CC2=NC(=O)NC(=O)C2	P0K	6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione
+CC(C)C[C@H](N)[P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O	P0L	(2s)-2-{[(s)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid
+CC1(CO[C@@H](CN1)c2ccccc2Cl)C	P0N	(2~{r})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine
+Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O	P0P	[4-(dihydroxymethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+C[C@@H]1[C@H](OCC(N1)(C)C)c2cccc(c2)Cl	P0Q	(2~{r},3~{r})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine
+OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)O)O)O)O)O	P0S	2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone
+CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O	P0T	cannabidiol
+c1cc(cc(c1)C(=O)N)C#CCN(CC[C@H](C(=O)O)N)C[C@@H]2[C@@H]([C@@H]([C@H](O2)n3cnc4c3ncnc4N)O)O	P0V	9-(5-{[(3r)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-d-lyxofuranosyl)-9h-purin-6-amine
+CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3	P0W	6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{h}-pyrimidine-2,4-dione
+c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)O)SCc3cccnc3)O)N	P0Y	(2s,4r)-1-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-[(pyridin-3-ylmethyl)sulfanyl]piperidine-2-carboxylic acid
+CC1(CO[C@@H](CN1CCC(=O)NC(=O)NC)c2ccccc2)C	P0Z	3-[(2~{r})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{n}-(methylcarbamoyl)propanamide
+c1ccc(cc1)CC[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3	P10	[1-(3-hydroxy-2-oxo-1-phenethyl-propylcarbamoyl)2-phenyl-ethyl]-carbamic acid pyridin-4-ylmethyl ester
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=O)Nc3cn(c(n3)C(=O)NCCC(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)C	P11	imidazole-pyrrole-beta alanine-imidazole-beta alanine-imidazole-pyrrole-beta alanine-dimethylamino propylamide
+[H]/N=C(\N)/N1CC[NH+](CC1)Cc2cc(ccc2OCCC[NH3+])OC	P12	4-[amino(imino)methyl]-1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]piperazin-1-ium
+c1cc2c(cc[nH]2)cc1c3ccc(c(c3)CNCCN4CCNCC4)OCCCN	P13	n-[2-(3-aminopropoxy)-5-(1h-indol-5-yl)benzyl]-n-(2-piperazin-1-ylethyl)amine
+COc1ccc(c(c1)CNCCCCNC(=[NH2+])N)OCCNC(=[NH2+])N	P14	n-[2-(2-{[(4-{[amino(imino)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]guanidine
+COCCOCCOCCOCCOCCOCCO	P15	2,5,8,11,14,17-hexaoxanonadecan-19-ol
+CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c(cccc4Cl)Cl	P16	6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl	P17	6-(2,6-dichloro-phenyl)-8-methyl-2-(3-methylsulfanyl-phenylamino)-8h-pyrido[2,3-d]pyrimidin-7-one
+c1ccc(cc1)C(=O)CCO	P18	3-hydroxy-1-phenylpropan-1-one
+c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4	P19	n,n'-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
+CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O	P1A	2,3,14,20,22-pentahydroxycholest-7-en-6-one
+CCc1ccc(nc1)CCOc2ccc(cc2)C[C@@H]3C(=O)NC(=O)S3	P1B	(5r)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
+CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O	P1C	deacetoxycephalosporin-c
+c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(=O)(O)O	P1D	((2s,3as,4r,6s)-4-(hydroxymethyl)-6-(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-tetrahydrofuro[3,4-d][1,3]dioxo l-2-yl)methylphosphonic acid
+CNS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)N[C@@H]3CCC[C@H]3N(C)C)C(F)(F)F	P1E	4-{[4-{[(1r,2r)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2N	P1F	2-(2-azanylphenoxy)-5-hexyl-phenol
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(=O)(O)O)N=C(NC2=O)N	P1G	((2r,4r,6r,6as)-4-(2-amino-6-oxo-1,6-dihydropurin-9-yl)-6-(hydroxymethyl)-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl)methylphosphonic acid
+CCCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	P1H	{(2r,3s,4r,5r)-5-[(4s)-3-(aminocarbonyl)-4-(2-propylisonicotinoyl)pyridin-1(4h)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}m ethyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C1=C(NC(=O)NC1=O)C(=O)NCCC(=O)O	P1J	n-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine
+B(Cn1cc(nn1)CNS(=O)(=O)CC(F)(F)F)(O)OP(=O)(O)O	P1K	phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid
+CCCCCCCCCCCCCCCC(=O)SC[C@@H](C(=O)O)N	P1L	s-palmitoyl-l-cysteine
+CN1[C@@H]2CCC[C@H]1CC(C2)Nc3ccccc3Br	P1M	(3-endo)-n-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
+CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	P1O	1,2-didecanoyl-sn-glycero-3-phosphocholine
+C(C[O-])CO[P+](=O)[O-]	P1P	3-{[oxido(oxo)phosphino]oxy}propan-1-olate
+C[C@H]1CO[C@@H](CN1CC(COC)O)c2cccc(c2)Cl	P1Q	1-[(2~{r},5~{s})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol
+c1cncnc1	P1R	pyrimidine
+c1cc2c(cc1CO)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O	P1S	(6ar,12ar)-3-(hydroxymethyl)-6h-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12ah)-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O	P1T	2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid
+CC(=CCO)C	P1W	3-methylbut-2-en-1-ol
+COc1ccc(cc1Br)Cc2nc(c(c(n2)O)O)C(=O)O	P1Y	2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
+CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3	P1Z	4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione
+c1cc(c(cc1NC(=N)N)[C@@H](CS)C(=O)O)Cl	P20	2-(5-{[amino(imino)methyl]amino}-2-chlorophenyl)-3-sulfanylpropanoic acid
+COCCCN([C@H]1CCC[N@](C1)CCc2ccccc2)C(=O)c3ccc(cc3)Cl	P21	4-chloro-n-(3-methoxypropyl)-n-[(3s)-1-(2-phenylethyl)piperidin-3-yl]benzamide
+CCO[P@](=O)(O)OP(=O)(O)O	P22	ethyl dihydrogen diphosphate
+CCCO[P@@](=O)(O)OP(=O)(O)O	P23	propyl trihydrogen diphosphate
+C(CCNCCN)CN	P24	1-(aminoethyl)amino-4-aminobutane
+CCCCCO[P@@](=O)(O)OP(=O)(O)O	P25	pentyl trihydrogen diphosphate
+CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C	P26	4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1h-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid
+c1ccc2c(c1)nnn2C(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)c5ccc(c(c5)F)F	P27	{[2-(1h-1,2,3-benzotriazol-1-yl)-2-(3,4-difluorophenyl)propane-1,3-diyl]bis[4,1-phenylene(difluoromethylene)]}bis(phosphonic acid)
+CC(=O)N[C@@H](Cc1ccc(cc1)Oc2cc(c(c(c2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O	P28	3',5'-dinitro-n-acetyl-l-thyronine
+c1ccc(cc1)Nc2nc3c(cnn3c(n2)NCCc4cnc[nH]4)C#N	P29	4-(2-(1h-imidazol-4-yl)ethylamino)-2-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
+CC(=O)OC[C@H](COP(=O)(O)O)OC(=O)C	P2A	1,2-diethanoyl-sn-glycero-3-phosphate
+c1cc(cc(c1)O)c2cc(nc(n2)N3CCOCC3)Nc4cccnc4	P2B	3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
+c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl	P2C	2-[(3,5-dichloro-4-trioxidanylphenyl)amino]benzoic acid
+CC(=O)CC(=O)C	P2D	pentane-2,4-dione
+CCCCC[C@@H](\C=C\[C@H]1[C@@H](CC(=O)[C@@H]1C\C=C/CCCC(=O)O)O)O	P2E	(z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
+CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O	P2F	5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-n3-[(2s,3r)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-n1,n1-dipropyl-benzene-1,3-dicarboxamide
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@@H](O4)P(=O)(O)O)N=C(NC2=O)N	P2G	(2s,4r,6r,6as)-4-(2-amino-6-oxo-1,6-dihydropurin-9-yl)-6-(hydroxymethyl)-tetrahydrofuro[3,4-d][1,3]dioxol-2-ylphosphoni c acid
+c1ccc(cc1)c2ccc[n+](c2)CC(O)(P(=O)(O)O)P(=O)(O)O	P2H	1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium
+CC(=O)OC[C@@H](CO[P@@](=O)([O-])OC1[C@H]([C@@H](C([C@@H]([C@H]1O)O)O)O)O)OC(=O)C	P2I	1,2-diacetoyl-sn-glycero-3-phosphoinositol
+CCCCCN(CC[C@@H](C(=O)O)N)C[C@H]1[C@@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)O)O	P2J	9-(5-{[(3s)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-l-arabinofuranosyl)-9h-purin-6-amine
+C(COCCOCCOCCOCCOCCO)O	P2K	polyethylene glycol peg2000
+CN1CCC[C@H](C1)NC2=C(C(=O)N(N=C2)C)Cl	P2L	4-chlorol-2-methyl-5-[[(3~{r})-1-methylpiperidin-3-yl]amino]pyridazin-3-one
+c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3	P2M	n-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
+c1c(c2c(c(c1O)Cl)CC(=O)CCCC\C=C\CCOC2=O)O	P2N	(5z)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione
+C#CCN1CCOC1=O	P2O	3-prop-2-yn-1-yl-1,3-oxazolidin-2-one
+c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)O	P2P	n7-(5'-phospho-alpha-ribosyl)-2-hydroxypurine
+c1ccc(cc1)OC/C=C/[C@@H](C=O)Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N	P2Q	2-hydroxy-5-{[(1s,2e)-1-formyl-4-phenoxybut-2-en-1yl]amino}-l-tyrosine
+CC[C@H](C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N)C(=O)O	P2S	(2s)-2-amino-4-[[(2r)-2-carboxybutyl](phosphono)sulfonimidoyl]butanoic acid
+CCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O	P2T	2'-o-propyl thymidine-5-monophosphate
+C1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O	P2U	2'-deoxy-pseudouridine-5'monophosphate
+CC(C)n1c2c(c(n1)c3cc4cc(ccc4[nH]3)O)c(ncn2)N	P2X	2-[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]-1h-indol-5-ol
+C1C[C@H](NC1)CN	P2Y	(2s)-pyrrolidin-2-ylmethylamine
+CN(C)CCCN1c2ccccc2Sc3c1cccc3	P2Z	promazine
+CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6	P30	1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea
+c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F	P31	5-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]-n-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine
+CC(C)(C)NC[C@@H](COc1cccc2c1CC(=N2)C#N)O	P32	4-{[(2s)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3h-indole-2-carbonitrile
+C(COCCOCCOCCOCCOCCOCCO)O	P33	3,6,9,12,15,18-hexaoxaicosane-1,20-diol
+CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2	P34	n~2~,n~2~-dimethyl-n~1~-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamide
+c1cc2c(cc1NC3CCNCC3)CN(C2)S(=O)(=O)c4ccc(cc4O)O	P35	4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2h-isoindol-2-yl}sulfonyl)benzene-1,3-diol
+c1ccc(cc1)CN2C=CC(=C(C2=O)Br)OCc3ccccc3	P36	1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1h)-one
+Cc1ccc(cc1NC2=CC(=O)N(c3c2cnn3c4ccc(cc4F)F)C)C(=O)NC5CC5	P37	n-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
+Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(=C)c4ccccc4)C)NC(=O)c5ccnc(c5)N6CCOCC6	P38	5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-n-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)NC(=O)c5cccc(c5)N6CCOCC6	P39	5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-n-[(1s)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/C=C\CCCCCC	P3A	phosphatidylglycerol-phosphoglycerol
+CC1=C(/C(=C\N=C\2/C=C(C[C@H]([C@@H]2O)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O	P3B	(3e,4r,5r)-4,5-dihydroxy-3-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid
+Cl[Pt-](Cl)Cl	P3C	trichloroplatinate
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\CCCCCN)O	P3D	(4-{(e)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1cccc(c1)Cn2c[n+](c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O	P3E	[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\NC(=O)CNC(=O)c2ccccc2C(F)(F)F)O	P3F	phosphoric acid mono-(5-hydroxy-6-methyl-4-{[2-(2-trifluoromethyl-benzoylamino)-acetyl]-hydrazonomethyl}-pyridin-3-ylmethyl)ester
+CCOCCOCCOCCOCCOCC	P3G	3,6,9,12,15-pentaoxaheptadecane
+CCCCCCCC/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O	P3H	[(2~{r})-1-nonanoyloxy-3-[oxidanyl-[(2~{r},3~{s},5~{r},6~{r})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{z},8~{z})-heptadeca-5,8-dienoate
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2Br)N)S(=O)(=O)c3ccccc3	P3I	n-(6-amino-1-(2-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+c1cc(cnc1)c2cc([nH]n2)N	P3J	3-(pyridin-3-yl)-1h-pyrazol-5-amine
+c1cc(c(c(c1)O)O)C#N	P3K	2,3-bis(oxidanyl)benzenecarbonitrile
+Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc3nc(no3)C(C)(C)C)NC(=O)c4cc(on4)C	P3N	n-[(2s)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2s)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
+C[P@](=O)(CC[C@@H](C(=O)O)N)OP(=O)(O)O	P3P	(2s)-2-amino-4-[methyl(phosphonooxy)phosphoryl]butanoic acid
+c1ccc(cc1)CCC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N	P3Q	2-hydroxy-5-{[(1e)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-l-tyrosine
+C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N	P3S	l-methionine-s-sulfoximine phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCCN)O	P3T	(4-{[(4-aminobutyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1c(c(nn1C)CC(C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl	P3U	2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-n-(1,5-dimethyl,3-isobutyl-1h-pyrazol-4-yl)benzenesulfonamide
+CC(C)CN(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)(O)O)S(=O)(=O)c4ccc(cc4)N	P3V	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate
+CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4ccccc4OC	P3Y	5-[3-(2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylpyridine-3-carboxamide
+COc1ccc(cc1)[C@](c2cncnc2)(C3CC3)O	P3Z	(s)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol
+Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)NC5CC5	P40	n-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
+CC(C)Nc1nc2ccc(cc2s1)c3c(nco3)c4ccccc4F	P41	6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-n-(1-methylethyl)-1,3-benzothiazol-2-amine
+CCCCCCCCCCCCCCCCC[C@H](O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O[C@H](CCCCCCCCCCCCCCC)O	P42	(2s)-2-{[(1r)-1-hydroxyhexadecyl]oxy}-3-{[(1r)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate
+c1ccc(c(c1)C#Cc2ccc(o2)C(=O)N3CCC(CC3)c4cccc(c4)CN)F	P43	1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine
+c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4	P44	2-(cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
+c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCc4ccc(cc4)Cl	P45	2-(4-chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
+c1cc2cn(cc2cc1NC3CCN(CC3)C(=O)[C@H](CC(=O)N)N)S(=O)(=O)c4ccc(cc4O)O	P46	(3s)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2h-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide
+c1ccc(cc1)/C(=C\C(=O)O)/CCc2ccc(cc2)Cl	P47	(2z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
+CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C	P48	n,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+Cn1c-2c(c(n1)C(=O)O)CCc3c2nc(nc3)Nc4ccccc4	P49	1-methyl-8-(phenylamino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
+Cc1c(c(n[nH]1)c2ccc(cc2O)O)c3ccc(cc3)OC	P4A	4-[4-(4-methoxyphenyl)-5-methyl-1h-pyrazol-3-yl]benzene-1,3-diol
+C[C@@H](N[C@H](CCN)C(=O)O)O	P4B	(2~{r})-4-azanyl-2-[[(1~{s})-1-oxidanylethyl]amino]butanoic acid
+C(COCCOCCOCCOCCOCCOCC=O)O	P4C	o-acetaldehydyl-hexaethylene glycol
+c1cc(ccc1C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O)O	P4D	(2r)-2-{[(s)-[(1r)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid
+c1ccc(cc1)C=CC[C@@H](C(=O)O)N	P4E	(2s,4e)-2-amino-5-phenylpent-4-enoic acid
+C([C@H](C(=O)O)N)C(=O)C(F)(F)P(=O)(O)O	P4F	5,5-difluoro-4-oxo-5-phosphono-d-norvaline
+CCOCCOCCOCC	P4G	1-ethoxy-2-(2-ethoxyethoxy)ethane
+c1cc(c(cc1C(=O)c2ccc(cc2O)O)O)O	P4H	[2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone
+c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])O[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])[O]	P4J	[(2~{r},3~{r},4~{r},5~{s})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium
+CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	P4K	polyethylene glycol
+c1ccnc(c1)c2nc3c(c(n2)O)CSCC3	P4L	2-pyridin-2-yl-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-4-ol
+CS(=O)(=O)c1cccc(c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F	P4N	6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{h}-quinolin-2-one
+c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4)CCNC5=O	P4O	2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4	P4P	tetraphenylphosphonium
+c1cc2c(c(ncn2)N)nc1	P4Q	pyrido[3,2-d]pyrimidin-4-amine
+C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O	P4S	(3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide
+Cc1c(sc(n1)Nc2ccccc2)C(=O)C	P4T	2-phenylamino-4-methyl-5-acetyl thiazole
+CCCOC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	P4U	4-propyl, uridine-5'-monophosphate
+CN(C)S(=O)(=O)c1cccc2c1ccnc2	P4W	~{n},~{n}-dimethylisoquinoline-5-sulfonamide
+c1ccc(cc1)c2c(c3ccccc3[nH]2)Cc4nc(c(c(n4)O)O)C(=O)O	P4Y	5,6-dihydroxy-2-[(2-phenyl-1h-indol-3-yl)methyl]pyrimidine-4-carboxylic acid
+CC[C@H](C(=O)N)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)Cl	P4Z	(2~{r})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C=O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC	P50	(19s,22s,25r)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9z)-octadec-9-enoate
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCOc3ccccc3	P51	2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol
+CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N	P52	nalpha-[(2s)-2-{[[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-l-tryptophanamide
+c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O	P53	2-(hydroxymethyl)phenyl 6-o-phosphono-beta-d-glucopyranoside
+Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N	P54	8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3h-purin-6-amine
+CCN1CCN(CC1)c2nc3c(cnn3c(n2)Nc4ccccc4)C#N	P55	2-(4-ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
+c1ccc(cc1)c2c(c3ccccc3[nH]2)Cn4ccnc4	P57	3-[(1h-imidazol-1-yl)methyl]-2-phenyl-1h-indole
+CN(Cc1ccccc1)C(=S)S	P58	benzyl(methyl)carbamodithioic acid
+c1ccc(cc1)N2[C@@H](Nc3ccccc3C2=O)c4ccccc4F	P59	(2r)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCCN4)O)O)N	P5A	'5'-o-(n-(l-prolyl)-sulfamoyl)adenosine
+CCS(=O)(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N	P5B	n-(ethylsulfonyl)tryptophyl-n~1~-{4-[amino(imino)methyl]benzyl}glutamamide
+Cc1cccc(c1)Nc2c(cnc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N	P5C	2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide
+c1ccc(cc1)C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O	P5D	(2r)-2-{[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O	P5E	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate
+CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C2C=C1C)C=CC=NCC(=O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	P5F	n-propargylglycine-modified flavin adenine dinucleotide
+COc1cc(ccc1O)C[C@H]2COC[C@@H]2Cc3ccc(c(c3)OC)O	P5G	4,4'-[(3r,4r)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)
+CC1=NC(=O)C(C=C1)C(=O)NCCNS(=O)(=O)C	P5H	6-methyl-~{n}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{h}-pyridine-3-carboxamide
+Cc1ncc(cn1)c2ccn3c(n2)c(cn3)c4ccc5c(c4)[C@](C(=O)N5)(C)Cc6ccccc6	P5J	(3s)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2h-indol-2-one
+CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCS(=O)(=O)CC4	P5K	1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
+COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O	P5M	2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium
+c1cc(ccc1C=O)n2ccnc2	P5N	1-(4-methylphenyl)imidazole
+c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	P5P	purine riboside-5'-monophosphate
+Cc1ccc(cc1)n2cncn2	P5Q	1-(4-methylphenyl)-1,2,4-triazole
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC	P5S	o-[(r)-{[(2r)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine
+B123B45B167B289B612B744B116B282[C@@]93B21C465CCCS(=O)(=O)N	P5T	meta-nidocarborane propyl-sulfonamide
+c1cc(ccc1C#N)S(=O)(=O)OC[C@@H](C(=O)O)N	P5U	o-[(4-cyanophenyl)sulfonyl]-l-serine
+c1cc2c(cc1c3ccc4c(c3)[C@@]5(CCCN5C(=O)C6CC6)C(=O)N4)nccn2	P5V	(3s)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1h)-one
+c1ccc(cc1)c2csc(n2)Nc3ccc(cc3)C(=O)O	P5W	4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
+c1ccc(cc1)Cn2c(nnn2)CN(Cc3ccc(cc3)C(=O)NO)C(=O)c4ccccc4C(F)(F)F	P5Y	n-[(1-benzyl-1h-tetrazol-5-yl)methyl]-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide
+c1ccc(c(c1)c2c(nco2)C(=O)O)F	P60	5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid
+CC1=C(/C(=C\N=C(/Cc2ccc(c(c2)F)O)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	P61	(2e)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}propanoic acid
+CN(C)CCNCC1=C(C(=NC(=S)N1)O)Cc2ccc(cc2)Cl	P62	5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{h}-pyrimidine-2-thione
+CC(=O)Nc1cccc(c1)Nc2nc3c(cnn3c(n2)Nc4ccccc4)C#N	P63	n-(3-(8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-ylamino)phenyl)acetamide
+CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N	P64	7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine
+Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl	P65	2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine
+c1cc(c(c(c1)F)n2c3cnnc(c3cn2)Nc4cc(ccc4Cl)C(=O)NC5CC5)F	P66	4-chloro-n-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1h-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide
+C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br	P68	1-(4-bromophenyl)-3-(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)urea
+c1ccc(cc1)N2[C@H](Nc3ccccc3C2=O)c4ccccc4F	P69	(2s)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
+Cc1c(c(no1)c2ccc(o2)Cl)c3ccccc3	P6A	3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole
+c1ccc(cc1)c2nc(on2)CN3CC[C@@H](C3)O	P6B	(3s)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
+CC(C)c1c2c(ncc(n2)C(=O)O)nc(n1)N	P6C	2-amino-4-isopropyl-pteridine-6-carboxylic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[NH-]	P6D	2'-azidocytidine
+C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O	P6F	1,6-di-o-phosphono-d-fructose
+C(COCCOCCOCCOCCOCCO)O	P6G	hexaethylene glycol
+CS(=O)(=O)c1ccccc1CO	P6H	(2-methylsulfonylphenyl)methanol
+C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)OCC#C	P6J	n-{3-[(1s,5s,6s)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide
+CCCCCCCCCC=CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC=CCCCCCCCCC	P6L	(2s)-3-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6e)-hexadec-6-enoyloxy]propyl (8e)-octadec-8-enoate
+C[C@@H]1C[C@@](N=C(S1)N)(C)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F	P6M	(4s,6r)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4h-1,3-thiazin-2-amine
+C[C@H]1CCc2ccccc2C1=O	P6N	(2~{s})-2-methyl-3,4-dihydro-2~{h}-naphthalen-1-one
+C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)OP(=O)(O)O	P6P	6-o-phosphono-alpha-d-fructofuranose
+B12B34B156B37B8B79C813B4B12B31C95(B61)CCCS(=O)(=O)N	P6Q	meta-carborane propyl-sulfonamide
+c1ccc(cc1)COC(=O)O	P6S	benzyl hydrogen carbonate
+C([C@H]([C@@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O	P6T	1,6-di-o-phosphono-d-tagatose
+C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F	P6U	(4s)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine
+c1cc(ccc1CN)C(=O)NO	P6V	4-(aminomethyl)-n-hydroxybenzamide
+C(CC(=O)N)CC(=O)N	P6W	pentanediamide
+c1cc(c(nc1)C(F)(F)F)C(=O)NCc2ccc(cc2)C(=O)NO	P6Y	n-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide
+c1cc(cc(c1)n2ccnc2)C=O	P6Z	3-imidazol-1-ylbenzaldehyde
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](Cc2ccccc2)C(=O)O)O	P70	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-phenylalanine
+CC1=C(/C(=C\N=C(/Cc2ccccc2)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	P71	(2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-3-phenylpropanoic acid
+[H]/N=C(\c1ccc(cc1)O)/N	P72	4-oxidanylbenzenecarboximidamide
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNC(=O)OC(C)(C)C	P74	tert-butyl [3-(3-{[4-(diethylamino)piperidin-1-yl]methyl}-4-hydroxy-5-iodophenyl)prop-2-yn-1-yl]carbamate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)COc4ccc(cc4)S(=O)(=O)N	P75	4-[[1-[(2~{s},3~{s},5~{r})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide
+C[C@H]([C@@H](C(=O)NO)NC(=O)N1CCC(CC1)c2ccc(cc2)C#Cc3ccccc3)O	P76	n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide
+CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl	P77	2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10h-phenothiazine
+CC(C)(C)c1cc(c(s1)NC(=O)Nc2ccc3ccccc3c2)C(=O)N4CCS(=O)(=O)CC4	P78	1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea
+CC(C)(C)c1cc(n(n1)CC(=O)N2CCS(=O)(=O)CC2)NC(=O)Nc3ccc4ccccc4c3	P79	1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1h-pyrazol-5-yl}-3-naphthalen-2-ylurea
+CC(C)(C)c1cc(c(s1)N2CCS(=O)(=O)CC2)NC(=O)Nc3cccc4c3cccc4	P7A	1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea
+CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCC(=O)NCC4	P7B	1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
+CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C	P7C	1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea
+CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C(=O)NO	P7D	resminostat
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	P7E	4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde
+CC[C@H](C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3	P7F	(2~{r})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
+CCCN1CN(C2=C1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	P7G	7-propyl, guanosine-5'-monophosphate
+B1234B567B189B212B33%10B454B656B787C911(B232B715C4%1062CCCS(=O)(=O)N)CCCS(=O)(=O)N	P7H	meta-carborane di-propyl-sulfonamide
+C(CP(=O)(O)O)N	P7I	(2-aminoethyl)phosphonic acid
+CC1([C@@H]2CC[C@H]([C@H]1C2)CNCc3ccc(cc3)C(=O)NO)C	P7J	4-[({[(1r,2r,5r)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-n-hydroxybenzamide
+C[C@]1(Cc2ccc3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O	P7K	(3~{r})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
+c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br	P7M	n-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide
+CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F)S(=O)(=O)C	P7N	~{n}-methyl-~{n}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
+C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O)O	P7Q	(3~{r})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
+CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)c2ccc(c(c2)Cl)N	P7S	n-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-l-valyl-n-[(2s)-1-carboxy-3-oxopropan-2-yl]-l-prolinamide
+C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)c2ccc(cc2)C=O	P7T	4-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde
+c1cc(ccc1c2nc(co2)C(=O)NO)Br	P7V	2-(4-bromophenyl)-n-hydroxy-1,3-oxazole-4-carboxamide
+c1ccc(c(c1)/C=C/[N+](=O)[O-])O	P7Y	2-[(e)-2-nitroethenyl]phenol
+B1234B567B189B212B33%10B454B656B787B911C232(B4%105C7612CCCS(=O)(=O)N)CCCS(=O)(=O)N	P7Z	ortho-carborane di-propyl-sulfonamide
+c1cc(cc(c1)O)/C=C/[N+](=O)[O-]	P80	3-[(e)-2-nitroethenyl]phenol
+c1cc(ccc1/C=C/[N+](=O)[O-])O	P81	4-[(e)-2-nitroethenyl]phenol
+B1234B567B189B212B88%10C955(B669B733C411(B363B218B9%1035)CCCS(=O)(=O)N)CCCS(=O)(=O)N	P82	para-carborane di-propyl-sulfonamide
+CCn1c2ccccc2c3c1ccc(c3)CNC	P83	1-(9-ethyl-9h-carbazol-3-yl)-n-methylmethanamine
+CN1CCC(CC1)N(C)Cc2cc(cc(c2O)I)I	P84	2,4-bis(iodanyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol
+C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc(cc4)F	P85	n-[(4-fluorophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)I	P86	2-{[4-(diethylamino)piperidin-1-yl]methyl}-4,6-diiodophenol
+C1CCN(C1)C(=O)CC[C@H]2CCOC2	P87	3-[(3s)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one
+Cc1cccc(c1c2c(c(on2)C(C)C)COc3ccc(cc3)c4ccc5cc(ncc5c4)C(=O)O)C	P88	7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid
+CCCCCCCCCC(=O)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	P89	[6-methyl-5-oxidanyl-4-[(~{e})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
+B1234B567B189B212B33%10C454B656B433B%1011B353B768C9213CCCS(=O)(=O)N	P8B	para-carborane propyl-sulfonamide
+C[C@H](N)[P@@](=O)(C[C@H](CC(=O)O)C(=O)O)O	P8D	phosphinate pseudodipeptide l-ala-d-asp
+C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)N)N)O	P8E	5,7-diamino-3,5,7,9-tetradeoxy-l-glycero-alpha-l-manno-non-2-ulopyranosonic acid
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCc4cn(nn4)[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O	P8G	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-[[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-[[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol
+c1c(cncc1Br)C(=O)N2CCC(CC2)N3CCCC3	P8H	3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O	P8J	methyl 3-o-[(1-beta-d-galactopyranosyl-1h-1,2,3-triazol-4-yl)methyl]-beta-d-galactopyranoside
+c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N	P8M	2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCc4ccc(cc4)/C=C/C(=O)NO)c5ccc(cc5)Cl)C	P8N	(~{e})-3-[4-[[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{n}-oxidanyl-prop-2-enamide
+CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC	P8P	(2r)-3-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc5)Cl)C	P8Q	(s)-n1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-n8-hydroxyoctanediamide
+C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F	P8S	heptadecafluoro-1-octanesulfonic acid
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)C(=O)Nc5ccccc5N)c6ccc(cc6)Cl)C	P8T	~{n}-(2-aminophenyl)-4-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide
+Cc1ccc(s1)C#Cc2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N	P8V	2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
+CC1=C(C=NN(C1=O)C)NCc2ccccc2c3ccccc3	P8W	2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one
+C[C@@H]1C2=C(C(C(=N2)/C=C\3/[C@H]([C@](C(=N3)/C=C\4/[C@H]([C@]([C@@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O	P8X	desmethyl-hba
+CC(C)CCCS(=O)(=O)C[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O	P8Y	(2s,3s,4s,5r)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol
+CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C	P8Z	2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
+c1ccc(cc1)\C=C\C[C@@](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(c3nc4ccccc4s3)n5c6ccccc6nn5	P90	{4-[(2s,4e)-2-(1,3-benzothiazol-2-yl)-2-(1h-1,2,3-benzotriazol-1-yl)-5-phenylpent-4-enyl]phenyl}(difluoro)methylphosphonic acid
+Cn1c2cc(c3c(c2c(c1C(=O)NCCO)Br)C(=O)NC3=O)c4ccccc4Cl	P91	8-bromo-4-(2-chlorophenyl)-n-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide
+c1ccc2c(c1)NC(=S)O2	P92	3~{h}-1,3-benzoxazole-2-thione
+c1cocc1CNC(=O)N2CCCC2	P93	n-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide
+c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N	P94	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile
+c1cnc(nc1)NC(=O)c2ccsc2NC(=O)c3nc4cnccc4s3	P95	~{n}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNc3ccccc3	P96	2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cnccc3Cl)N	P97	d-phenylalanyl-n-[(4-chloropyridin-3-yl)methyl]-l-prolinamide
+CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4	P98	2-({[1-phenyl-2-(propan-2-yl)-1h-benzimidazol-6-yl]oxy}methyl)quinoline
+c1ccc(cc1)S(=O)(=O)NCCSc2cc(c(c(c2)F)OCC(=O)N)F	P99	2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide
+C[C@@]12C[C@@]34CCC(=O)[C@@]([C@@H]3[C@@H](O1)C[C@@H]2C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O	P9A	3-({3-[(1s,4as,6s,7s,9s,9ar)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
+c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N	P9B	4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
+C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C[C@@H]4c5ccccc5)(C)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O)O2	P9C	3-({3-[(1s,4s,4as,6s,7s,9s,9ar)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
+CC(C)(C)c1csc(n1)NC(=O)C2=CC3=NC(=C(C(=O)N3C=C2)/C=C/c4[nH]nnn4)N5CCC[C@H](C5)OC(=O)NCC[N+](C)(C)CC(=O)[O-]	P9D	[{2-[({[(3r)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(e)-2-(1h-tetrazol-5-yl)ethenyl]-4h-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate
+c1cc2c(cc1S(=O)(=O)N)NC(=S)O2	P9E	2-sulfanylidene-3~{h}-1,3-benzoxazole-5-sulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N)(N)[N]4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O)(O)O)O	P9G	diamino(2'-deoxy-5'-guanylic acid-kappan~8~)(phenanthridine)platinum
+c1ccc(cc1)[C@@H](CC=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	P9H	(2~{s})-2-azanyl-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{r})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+C/C(=C/1\C=C(c2[n+]1cccc2)c3ccccn3)/O	P9I	1-[1-(pyridin-2-yl)indolizin-3-yl]ethan-1-one
+Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2cccc3)c4ccccc4	P9J	4-[(5-methyl-1h-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2h)-one
+CN(c1ccccc1/C=N/c2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C	P9K	n-methyl-n-(2-{[2-(2-oxo-2,3-dihydro-1h-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
+CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3	P9L	1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1h)-one
+Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3C)C	P9M	n-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C	P9N	pregnanolone
+c1cc(c(cc1N(=O)=O)Cl)O	P9P	2-chloranyl-4-nitro-phenol
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)NCCCCCCCCN	P9Q	(1~{s},2~{r},3~{r},4~{r},5~{r})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
+C([C@H](CSC[C@@H](C(=O)O)N)O)O	P9S	dihydroxypropylcysteine
+c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F	P9T	[(5,7-difluoro-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+CSCC[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O	P9V	(2r,3s,4s,5r)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol
+c1cc(ccc1OCCCn2ccnc2)Cl	P9Y	1-[3-(4-chlorophenoxy)propyl]-1h-imidazole
+c1ccc(cc1)[As]=O	PA0	phenylarsine oxide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O	PA1	2-amino-2-deoxy-alpha-d-glucopyranose
+C1[C@@H](C[C@@H]([C@H]([C@@H]1N)O)O)N	PA2	paromomycin (ring 2)
+C1[C@H](CO[C@@H]1CO)O	PA3	paromomycin (ring 3)
+C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N	PA4	paromomycin (ring 4)
+C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O	PA5	5-phosphoarabinonic acid
+CCCCC(=O)OC[C@H](COP(=O)(O)O)OC=O	PA6	(r)-2-(formyloxy)-3-(phosphonooxy)propyl pentanoate
+CCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	PA7	n-propyl carboxyamido adenosine
+CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCC	PA8	1,2-dioctanoyl-sn-glycero-3-phosphate
+CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O	PA9	n~2~-acetyl-n~5~-(phosphonoacetyl)-l-ornithine
+c1cc(ccc1C(=O)O)N	PAB	4-aminobenzoic acid
+c1ccc(cc1)CC(=O)O	PAC	2-phenylacetic acid
+c1cc([nH+]c(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	PAD	5-beta-d-ribofuranosylpicolinamide adenine-dinucleotide
+C(C(=O)O)P(=O)(O)O	PAE	phosphonoacetic acid
+CC(C)(CO)[C@H](C(=O)[O-])O	PAF	pantoate
+C([C@H](C(=O)O)OP(=O)(O)O)O	PAG	2-phospho-d-glyceric acid
+C(C(=O)NO)P(=O)(O)O	PAH	phosphonoacetohydroxamic acid
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[N@](CC(O)O)CP(=O)(O)O	PAI	{[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid
+CC(C)(CO)[C@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	PAJ	pantoyl adenylate
+c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)C#N)CC(=O)N2	PAK	9-cyano paullone
+C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O	PAL	n-(phosphonacetyl)-l-aspartic acid
+CCCCCC\C=C/CCCCCCCC(=O)O	PAM	palmitoleic acid
+C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O	PAN	5-phospho-d-arabinohydroxamic acid
+C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O	PAO	n-(phosphonoacetyl)-l-ornithine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N	PAP	3'-phosphate-adenosine-5'-diphosphate
+c1ccnc(c1)NNC2=CC(C(=O)C=C2O)C[C@@H](C(=O)O)N	PAQ	2-oxy-4-hydroxy-5-(2-hydrazinopyridine)phenylalanine
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N	PAR	paromomycin
+C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O	PAS	2-amino-4-oxo-4-phosphonooxy-butyric acid
+c1ccc2c(c1)c(c[nH]2)C[C@@](C(=O)O)(N)P(=O)(O)O	PAT	alpha-phosphono-tryptophan
+CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O	PAU	pantothenoic acid
+C[C@@]1(C([C@H](CO1)O)(O)O)O	PAV	(2r,4s)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
+C(CNCCNCCNCCN)N	PAW	n-(2-aminoethyl)-n'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O	PAX	5'-phosphothymidine (3'-5')-pyrophosphate adenosine 3'-phosphate
+C[C@@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	PAY	octane-1,3,5,7-tetracarboxylic acid
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O	PAZ	n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine
+[Pb+2]	PB	lead (ii) ion
+CCCO[C@@H]1C[C@@H](NC1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)[C@H](CCc3ccccc3)N4CC[C@@](C4=O)(CC(C)C)NC(=O)C)O	PB0	(2s)-2-[(3r)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-n-{(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2r,4r)-4-propoxypyrrolidin-2-yl]propan-2-yl}-4-phenylbutanamide
+C(CC(=O)O)[C@H](CN)[C@H](CCN)CC(=O)O	PB1	3-(2-aminoethyl)-4-(aminomethyl)heptanedioic acid
+c1ccc(cc1)c2ccc(cc2)Cn3ccnc3	PB2	1-(biphenyl-4-ylmethyl)-1h-imidazole
+Cc1cccc(c1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccc(c3)C	PB3	n,n'-bis(3-methylbenzyl)pyrimidine-4,6-dicarboxamide
+Cc1cc(ccc1F)CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(c(c3)C)F	PB4	n,n'-bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide
+c1cc(cnc1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccnc3	PB5	n,n'-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide
+CC/C=C/c1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	PB6	3-[(1e)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium
+CC[C@H](C)[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O)NC(=O)C	PB7	(2s)-2-{(3s)-3-(acetylamino)-3-[(2s)-butan-2-yl]-2-oxopyrrolidin-1-yl}-n-{(2s,3r)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide
+CC(C)C[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4Cc5ccccc5CN4)O)NC(=O)C	PB8	(2s)-2-[(3r)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-n-{(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3r)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide
+Cn1cncc1CN2C[C@H](Cc3c2ccc(c3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)c5ccccn5	PB9	methyl 4-{[{(3s)-6-cyano-1-[(1-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridin-2-ylsulfonyl)amino]methyl}piperidine-1-carboxylate
+B(CCc1ccccc1)(O)O	PBA	phenylethane boronic acid
+c1cc(ccc1CSC[C@@H](C(=O)O)N)Br	PBB	s-(4-bromobenzyl)cysteine
+B(c1ccccc1)(O)O	PBC	phenyl boronic acid
+COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2	PBD	1-(3,4-dimethoxyphenyl)-3-[3-(1h-imidazol-1-yl)propyl]thiourea
+C[N+]1(CCC[C@H]1C(=O)O)C	PBE	1,1-dimethyl-prolinium
+c1ccc(cc1)C(=O)c2ccc(cc2)C[C@@H](C(=O)O)N	PBF	para-(benzoyl)-phenylalanine
+c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O	PBG	3-[5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic acid
+CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc(cc4)OCCCOc5cc6c(cc5OC)C(=O)N7CCC[C@H]7CN6	PBH	(11as)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
+C1=CC(=O)C=CC1CC2C(=O)N(C(=N2)CN)CC=O	PBI	[2-aminomethyl-5-oxo-4-(4-oxo-cyclohexa-2,5-dienylmethyl)-4,5-dihydro-imidazol-1-yl] -acetaldehyde
+CCCCCCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	PBK	5'-o-[(r)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine
+CC(CC(C)(O)O)(O)O	PBL	pentane-2,2,4,4-tetrol
+C[Pb+](C)C	PBM	trimethyl lead ion
+c1ccc(cc1)CCCCN	PBN	4-phenylbutylamine
+CCCC(=O)c1cccnc1	PBO	1-pyridin-3-ylbutan-1-one
+c1cc(ccc1C(=O)CBr)Br	PBP	p-bromophenacyl bromide
+c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Br)Br	PBQ	pentabromopseudilin
+c1(c(c(c(c(c1Br)Br)Br)Br)Br)O	PBR	pentabromophenol
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O	PBS	(2s,3s,4r)-n-octanoyl-1-[(alpha-d-galactopyranosyl)oxy]-2-amino-octadecane-3,4-diol
+C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	PBT	[3-hydroxy-5-(5-methyl-2,4-dioxotetrahydro-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen phosphate
+CCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC	PBU	(2r)-3-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1 ,2-diyl dibutanoate
+CCc1cccc(n1)N	PBV	6-ethylpyridin-2-amine
+C(C1[C@H]([C@@H](C(C([C@H]1O)O)O)O)O)O	PBW	(1~{s},4~{s},5~{r})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
+c1cc(c(c(c1O)O)O)Br	PBX	4-bromobenzene-1,2,3-triol
+c1cc(cc(c1)Cl)Nc2cc(ncn2)N	PBY	n~4~-(3-chlorophenyl)pyrimidine-4,6-diamine
+c1cc(ccc1C(=[NH2+])N)N	PBZ	p-amino benzamidine
+C[N+](C)(C)CCOP(=O)(O)O	PC	phosphocholine
+CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C	PC0	1-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]-3-(5-methylpyridin-2-yl)thiourea
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	PC1	1,2-diacyl-sn-glycero-3-phosphocholine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	PC2	di-stearoyl-3-sn-phosphatidylcholine
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Co]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C	PC3	coproporphyrin i containing co(iii)
+Cl[Pt-2](Cl)(Cl)Cl	PC4	tetrachloroplatinate(ii)
+CCCCC(=O)OC[C@H](COP(=S)(OCC[N+](C)(C)C)[S-])OC(=O)CCCC	PC5	1,2-di-n-pentanoyl-sn-glycero-3-dithiophosphocholine
+CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P@@](=O)([O-])OCC[N+](C)(C)C	PC6	7-[(dodecanoyloxy)methyl]-4-hydroxy-n,n,n-trimethyl-9-oxo-3,5,8-trioxa-4-phosphadotriacontan-1-aminium 4-oxide
+CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@](=O)(O)OCC[N+](C)(C)C	PC7	(7s)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide
+CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC	PC8	1,2-dioctanoyl-sn-glycero-3-phosphocholine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC[C@@H]([C@H](CCCCCCCCCCC)Br)Br	PC9	(7r,14s)-14,15-dibromo-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide
+C1CC(=O)N[C@@H]1C(=O)O	PCA	pyroglutamic acid
+CS(=O)(=O)c1cc(c(cc1Cl)c2cc(c(cc2Cl)S(=O)(=O)C)Cl)Cl	PCB	4,4'-bis([h]methylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl
+C1CC(=O)N[C@@H]1C(=O)O	PCC	5-oxoproline
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O	PCD	(molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v)
+C#CCC(C[C@H]([C@H](CC1CCCCC1)N)O)C(=O)O	PCE	2-(3-amino-4-cyclohexyl-2-hydroxy-butyl)-pent-4-ynoic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	PCF	1,2-diacyl-sn-glycero-3-phoshocholine
+c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N	PCG	cyclic guanosine monophosphate
+c1cnccc1OC[C@@H]([C@H](CC2CCCCC2)N)O	PCH	3-amino-4-cyclohexyl-1-(pyridin-4-yloxy)butan-2-ol
+c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O	PCI	pentachlorophenol
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	PCJ	(2r)-3-{[(2s)-3-hydroxy-2-(palmitoylamino)propyl]thio}propane-1,2-diyl dihexadecanoate
+CCCCCCCC[C@H]([C@H](CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br)Br)Br	PCK	(7r,18s,19r)-18,19-dibromo-7-{[(9s,10s)-9,10-dibromooctadecanoyl]oxy}-4-hydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-p hosphaheptacosan-1-aminium 4-oxide
+Cl[Pt]Cl	PCL	platinum(ii) di-chloride
+CC(C)C[C@@H](C(=O)N[C@@H]1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3	PCM	1-[n[(phenylmethoxy)carbonyl]-l-leucyl-4-[[n/n-[(phenylmethoxy)carbonyl]-/nl-leucyl]amino]-3-pyrrolidinone/n
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)/C(=N\OC)/c2csc(n2)N)C(=O)O)C	PCN	2-{1-[2-(2-amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid
+CC(C)(CO)[C@H](C(=O)NCCC(=O)N\C=C/S)O	PCO	2,4-dihydroxy-n-[2-(2-mercapto-vinylcarbamoyl)-ethyl]-3,3-dimethyl-butyramide
+C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O	PCP	1-alpha-pyrophosphoryl-2-alpha,3-alpha-dihydroxy-4-beta-cyclopentane-methanol-5-phosphate
+c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl	PCQ	3,5,3',5'-tetrachloro-biphenyl-4,4'-diol
+Cc1ccc(cc1)O	PCR	p-cresol
+c1ccc(cc1)C[C@@H](C(=O)CCl)N	PCS	phenylalanylmethylchloride
+C(C(=O)N)P(=O)(O)O	PCT	phosphonoacetamide
+CN1C=CC(=C2c3ccc4n3[Cu]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1	PCU	cu(ii)meso(4-n-tetramethylpyridyl)porphyrin
+C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O	PCV	5-amino-3-hydroxy-2-(2-oxo-azetidin-1-yl)-pentanoic acid
+CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	PCW	1,2-dioleoyl-sn-glycero-3-phosphocholine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N1CCC1=O	PCX	deoxyguanidinoproclavaminic acid
+Cc1cccc(c1C(=O)OC[C@]2([C@H]([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O)N(C)C)N)Nc3cccc(c3)C(=O)C)O)O	PCY	pactamycin
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O	PCZ	(2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+[Pd+2]	PD	palladium ion
+CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC	PD1	1-tert-butyl-3-[6-(3,5-dimethoxy-phenyl)-2-(4-diethylamino-butylamino)-pyrido[2,3-d]pyrimidin-7-yl]-urea
+c1cnc(cc1C(=O)O)C(=O)O	PD2	pyridine-2,4-dicarboxylic acid
+c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3c4c(ncnc4n(n3)C5CCCC5)N	PD3	1-{3-[(4-amino-1-cyclopentyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
+CCCOCCN1c2c(ccc(n2)c3ccc(nc3)OC)N=C(C1=O)NCCN4CCOCC4	PD4	6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4h)-one
+CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(F)(F)F)c(ncn2)N	PD5	1-{4-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
+CCCCN1C=CC(=O)c2c1cc(nc2N)c3ccccc3	PD6	5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1h)-one
+CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC	PD7	(2r)-3-(phosphonooxy)propane-1,2-diyl diheptanoate
+c1cc(ccc1C(=O)OP(=O)(O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	PD8	phosphorylated dihydropteroate
+CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#N	PD9	(~{e})-2-cyano-~{n},~{n}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O	PDA	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-propionic acid
+C[C@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F	PDB	1-(2-chlorophenyl)-6-[(2r)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1cc(nc(c1)C(=O)O)C(=O)O	PDC	pyridine-2,6-dicarboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O	PDD	n-(5'-phosphopyridoxyl)-d-alanine
+C[C@@H](C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]	PDE	para-nitrophenyl phosphonobutanoyl d-alanine
+C1[C@H](NCC1(F)F)C(=O)O	PDF	4,4-difluoro-l-proline
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O	PDG	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-d-glutamic acid
+c1ccc(cc1)C[C@H](CO)N	PDH	(2s)-2-amino-3-phenyl-1-propanol
+C(CO)COP(=O)(O)O	PDI	phosphoric acid mono-(3-hydroxy-propyl) ester
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](CO)N)OC(=O)CCCCCCCCCCCCCCC	PDJ	(2r)-3-{[(2r)-2-amino-3-hydroxypropyl]thio}propane-1,2-diyl dihexadecanoate
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCNC(=O)C[N@](CC[N@@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)OC(=O)CCCCCCCCCCCCC	PDK	(10s,13r)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O	PDL	n-(5'-phosphopyridoxyl)-l-alanine
+c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O	PDM	4-[4-(2,5-dioxo-pyrrolidin-1-yl)-phenylamino]-4-hydroxy-butyric acid
+C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C	PDN	17,21-dihydroxypregna-1,4-diene-3,11,20-trione
+C(CO)CO	PDO	1,3-propandiol
+Cc1c(c(c(cn1)CO[P@](=O)(O)OP(=O)(O)O)C=O)O	PDP	pyridoxal-5'-diphosphate
+Cc1c2c(cc(c1N3CC[C@H](C3)[C@H](C)N)F)C(=O)N(C(=O)N2C4CC4)N	PDQ	3-amino-7-{(3r)-3-[(1s)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1h,3h)-dione
+Cn1cc(c2c1cc(c(n2)OC)OC)c3cc4c(ccnc4[nH]3)Cl	PDR	3-(4-chloro-1h-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1h-pyrrolo[3,2-b]pyridine
+Cc1c(c2ccccc2[nH]1)C3=C(C(=O)NC3=O)c4c(n(c5c4cccc5)CCCN(C)C)C	PDS	3-{1-[3-(dimethylamino)propyl]-2-methyl-1h-indol-3-yl}-4-(2-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione
+C(CS)CS	PDT	1,3-propanedithiol
+CC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	PDU	5(1-propynyl)-2'-deoxyuridine-5-monophosphate
+O[V]1(O[V](O1)([O-])[O-])([O-])[O-]	PDV	divanadate ion
+COC(=O)[C@H]1CCCN1	PDW	methyl d-prolinate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O	PDX	2,3-di-o-sulfo-alpha-d-glucopyranose
+CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)N[C@H]4CCCNC4)C	PDY	n~7~-(4-ethoxyphenyl)-6-methyl-n~5~-[(3s)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
+c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3)Cl	PDZ	6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2h)-one
+c1cnc2c(n1)C(=O)NC(=N2)N	PE0	pterine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCCN)C(=O)O)O	PE1	n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-lysine
+c1nc2c(n1CCC(CO)CO)N=C(NC2=O)N	PE2	9-(4-hydroxy-3-(hydroxymethyl)but-1-yl)guanine
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	PE3	3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol
+CCOCCOCCOCCOCCOCCOCCOCCO	PE4	2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol
+CCOCCOCCOCCOCCOCCOCCOCCOCCO	PE5	3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
+C(COCCOCCOCCOCCOCCOP(=O)(O)O)O	PE6	phosphoryl-hexaethylene glycol
+C(COCCOCCOCCOCCOCCOCCS)O	PE7	1-deoxy-1-thio-heptaethylene glycol
+C(COCCOCCOCCOCCOCCOCCOCCO)O	PE8	3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol
+CCCCCO	PE9	pentan-1-ol
+c1ccc(cc1)CC[NH3+]	PEA	2-phenylethylamine
+CC[C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C	PEB	phycoerythrobilin
+CCCCCSSC[C@@H](C(=O)O)N	PEC	s,s-pentylthiocysteine
+CC[C@@H]([C@@H](COP(=O)(O)O)O)O	PED	pentane-3,4-diol-5-phosphate
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC	PEE	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC	PEF	di-palmitoyl-3-sn-phosphatidylethanolamine
+C(COCCO)O	PEG	di(hydroxyethyl)ether
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	PEH	di-stearoyl-3-sn-phosphatidylethanolamine
+CCCCC(=O)O	PEI	pentanoic acid
+[O-]I(=O)(=O)=O	PEJ	periodate
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	PEK	(1s)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(stearoyloxy)methyl]ethyl (5e,8e,11e,14e)-icosa-5,8,11,14-tetraenoate
+c1ccc(cc1)CCO	PEL	2-phenyl-ethanol
+CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl	PEM	2-[p-[2-p-chlorobenzamido)ethyl]phenoxy]-2-methylpropionic acid
+OO	PEO	hydrogen peroxide
+C=C(C(=O)O)OP(=O)(O)O	PEP	phosphoenolpyruvate
+C[C@@H](C(=O)O)OP(=O)(O)O	PEQ	l-phospholactate
+[O-][O-]	PER	peroxide ion
+[H]/N=C(\c1ccc(cc1)OCCOCCOc2ccc(cc2)C(=N)N)/N	PET	1,5-di(4-amidinophenoxy)-3-oxa-pentane
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	PEU	2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol
+CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN	PEV	(1s)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br	PEW	(1r)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (9s,10s)-9,10-dibromooctadecanoate
+CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCCCCCC	PEX	1,2-didecanoyl-sn-glycero-3-phosphoethanolamine
+c1ccc2c(c1)ccc3c2cccc3	PEY	phenanthrene
+CCC(C(=O)O)OP(=O)(O)O	PEZ	2-(phosphonooxy)butanoic acid
+c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N	PF	proflavine
+Cc1c(cccc1O)C(=O)O	PF0	3-hydroxy-2-methylbenzoic acid
+Cc1ncc(c(n1)N)CN(CCO)C=O	PF1	n-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-(2-hydroxyethyl)formamide
+c1cnc(nc1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCC(C4)(F)F	PF2	2-(4-{(3s,5s)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine
+c1ccc(cc1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(cc3)c4ccncc4	PF3	(2r)-3-({[4-[(pyridin-4-yl)phenyl]-thien-2-yl}carboxamido)(phenyl)propanoic acid
+COc1ccc(cc1)c2c(nc([nH]2)c3cccs3)c4ccc(cc4)OC	PF4	4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1h-imidazole
+C(c1c(c(c(c(c1F)F)F)F)F)[C@@H](C(=O)O)N	PF5	2,3,4,5,6-pentafluoro-l-phenylalanine
+c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)Cc5ccncc5	PF6	2-({4-[4-(pyridin-4-ylmethyl)-1h-pyrazol-3-yl]phenoxy}methyl)quinoline
+c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)O	PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
+c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)c5ccncc5	PF8	2-{[4-(4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline
+Cn1cc(c(n1)c2ccc(cc2)OCc3ccc4ccccc4n3)c5ccncc5	PF9	2-{[4-(1-methyl-4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline
+Cc1cc(cc(c1Oc2ccc(c(c2)C(C)C)O)C)N3C(=O)NC(=O)C=N3	PFA	[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-6-azauracil
+C(c1c(c(c(c(c1F)F)F)F)F)O	PFB	2,3,4,5,6-pentafluorobenzyl alcohol
+CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)Cc7ccccc7)C	PFC	phenylferricrocin-iron
+CCOCCC1(C(=O)NC(=O)NC1=O)Oc2ccc(cc2)Oc3ccc(cc3)F	PFD	5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]pyrimidine-2,4,6(1h,3h,5h)-trione
+CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)c4csc(n4)CO	PFE	{4-[3-(6,7-diethoxy-quinazolin-4-ylamino)-phenyl]-thiazol-2-yl}-methanol
+c1cc(ccc1C[C@@H](C(=O)O)N)F	PFF	4-fluoro-l-phenylalanine
+C#CC[N@](Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	PFG	10-parpargyl-5,8-dideazafolate-4-glutamic acid
+COc1cc2c(cc1OC)ncnc2[N@]3CC[C@H](C3)Oc4ccc5ccccc5c4	PFH	6,7-dimethoxy-4-[(3r)-3-(2-naphthyloxy)pyrrolidin-1-yl]quinazoline
+CC(C)Oc1ccc(cc1F)CC[C@]2(CC(=CC(=O)O2)O)C3CCCC3	PFI	(6s)-6-cyclopentyl-6-[2-(3-fluoro-4-isopropoxyphenyl)ethyl]-4-hydroxy-5,6-dihydro-2h-pyran-2-one
+COc1cc2c(cc1OC)ncnc2N3CC[C@H](C3)Oc4cnc5ccccc5n4	PFJ	6,7-dimethoxy-4-[(3r)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline
+COc1cc2cncnc2cc1OCCc3ccc4ccccc4n3	PFK	6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline
+CC(C)c1cccc(c1O)C(C)C	PFL	2,6-bis(1-methylethyl)phenol
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C(=C\C[C@@H](C(=O)O)N)\O)O	PFM	1-amino-7-(2-methyl-3-oxido-5-((phosphonoxy)methyl)-4-pyridoxal-5-oxo-6-heptenate
+C[C@H](c1cccc(c1)Oc2ccccc2)C(=O)O	PFN	fenoprofen
+c1cc(ccc1c2c(n(cn2)C3CCN(CC3)Cc4ccon4)c5ccnc(n5)N)F	PFO	4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1h-imidazol-5-yl}pyrimidin-2-amine
+COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)NCCO	PFP	2-[5,6-bis-(4-methoxy-phenyl)-furo[2,3-d]pyrimidin-4-ylamino]-ethanol
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO	PFQ	2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol
+COc1cc2c(cc1OCCc3ccccn3)c(ncn2)[N@]4CCC[C@H](C4)c5ccccc5	PFR	7-methoxy-4-[(3s)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline
+CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C	PFS	(2r)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
+c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O	PFT	4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)benzene-1,3-diol
+C([C@@H]1[C@H]([C@H]([C@@H](O1)c2c(c([nH]n2)C(=O)N)O)O)O)OP(=O)(O)O	PFU	(1s)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1h-pyrazol-3-yl)-5-o-phosphono-d-ribitol
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(=O)NCC2=CC(=O)C(=CN2O)O)NS(=O)(=O)O	PFV	(6r,7s,10z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid
+COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)[N@]5CCC[C@H](C5)c6ccccc6	PFW	7-methoxy-4-[(3s)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline
+c1cc(ccc1C[C@@H](C(=O)NCCOCCOCC(=O)O)[NH3+])P(=O)(O)O	PFX	(2s)-1-({2-[2-(carboxymethoxy)ethoxy]ethyl}amino)-1-oxo-3-(4-phosphonophenyl)propan-2-aminium
+Cc1c([nH]c(c1C(=O)N2CCC[C@H]2CN3CCCC3)C)\C=C/4\c5cc(ccc5NC4=O)S(=O)(=O)Cc6c(cccc6Cl)Cl	PFY	(3z)-5-[(2,6-dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2s)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one
+CCCCCC[C@](Cn1ccnc1)(c2ccc(cc2Cl)Cl)O	PFZ	1-(n-imidazolyl)-2-hydroxy-2-(2,3-dichlorophenyl)octane
+COCCOCCO	PG0	2-(2-methoxyethoxy)ethanol
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H](C(=O)[O-])N)NC(=O)Cc2ccccc2)C(=O)[O-])C	PG1	penicillin g acyl-serine
+CCCCC[C@@H](\C=C\[C@@H]1[C@H]([C@H](CC1=O)O)C\C=C/CCCC(=O)O)O	PG2	prostaglandin d2
+C(CNC(=[NH2+])N)CO	PG3	guanidine-3-propanol
+C(COCCOCCOCCO)O	PG4	tetraethylene glycol
+COCCOCCOCCOC	PG5	1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane
+COCCOCCOCCOCCOCCOC	PG6	1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2O)N	PG7	((2r,3r,5r)-5-(2-amino-6-hydroxy-9h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate
+CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC	PG8	1,2-dioctanoyl-sn-glycero-3-[phospho-rac-(1-glycerol)
+c1ccc(cc1)[C@H](C(=O)O)N	PG9	d-phenylglycine
+C(C(=O)O)OP(=O)(O)O	PGA	2-phosphoglycolic acid
+C(C(=O)NO)OP(=O)(O)O	PGC	o-phosphoglycolohydroxamate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N	PGD	2-amino-5,6-dimercapto-7-methyl-3,7,8a,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide
+C(COCCOCCO)O	PGE	triethylene glycol
+CCOCCOCCOCCOC	PGF	2,5,8,11-tetraoxatridecane
+c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCC(=O)O)O	PGG	para-nitrophenylphosphonobutanoyl-glycine
+C(C(=O)NO)OP(=O)(O)O	PGH	phosphoglycolohydroxamic acid
+c1ccc(cc1)CCc2c[n+]3c([nH]2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O	PGI	(5r,6r,7s,8s)-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-6,7,8-triol
+CCOC[N@]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O	PGJ	2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]isoxazol-5(2h)-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br	PGK	(1r)-2-{[{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (9s,10s)-9,10-dibromooctadecanoate
+C(N)P(=O)(O)O	PGL	(aminomethyl)phosphonic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O	PGM	1-myristoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)]
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N=C(NC2=O)N	PGN	2'-deoxyguanosine-3',5'-diphosphate
+C[C@@H](CO)O	PGO	s-1,2-propanediol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N	PGP	guanosine-3',5'-diphosphate
+C[C@@H](CO)O	PGQ	s-1,2-propanediol
+C[C@H](CO)O	PGR	r-1,2-propanediol
+c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O	PGS	2-deazo-6-thiophosphate guanosine-5'-monophosphate
+CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O	PGT	(1s)-2-{[{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O	PGU	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-glutamic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC\C=C/CCCCCC	PGV	(1r)-2-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (11e)-octadec-11-enoate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC	PGW	(1r)-2-{[(s)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate
+CCCCC[C@@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)OO2)OO	PGX	7-[6-(3-hydroperoxy-oct-1-enyl)-2,3-dioxa-bicyclo[2.2.1]hept-5-yl]-hept-5-enoic acid
+c1ccc(cc1)[C@H](C(=O)O)N	PGY	phenylglycine
+Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OP(=O)(O)OCc3ccccc3)SC)CO)O	PGZ	methyl 2-o-[(s)-(benzyloxy)(hydroxy)phosphoryl]-3-deoxy-3-{[(4-methylphenyl)carbonyl]amino}-1-thio-beta-d-galactopyranoside
+c1ccc(cc1)C[C@H](C[P@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O	PH0	n-{(2s)-3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-l-phenylalanine
+CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C	PH1	1,2-[di-2,6,10,14-tetramethyl-hexadecan-16-oxy]-propane
+C1C(=NC2=C(N1)N=C(NC2=O)N)CO	PH2	2-amino-6-hydroxymethyl-7,8-dihydro-3h-pteridin-4-one
+c1cc(ccc1NC(=N)NO)Cl	PH3	n-(chlorophenyl)-n'-hydroxyguanidine
+C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O	PH4	3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate
+CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O	PH5	benzyl 3,5-dideoxy-5-(propanoylamino)-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O	PH6	(4s)-4-cyclohexyl-l-proline
+c1ccc(cc1)C(=O)N/C(=C\c2ccc(cc2)Oc3ccccc3Br)/C(=O)O	PH7	(2z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic acid
+c1ccc(cc1)CCC[C@@H](C(=O)O)N	PH8	5-phenyl-l-norvaline
+c1ccc(c(c1)Oc2ccc(cc2)CC(C(=O)O)NC(=O)C34CC5CC(C3)CC(C5)C4)Br	PH9	(2z)-2-[(1-adamantylcarbonyl)amino]-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid
+c1ccc(cc1)C[C@@H](C=O)N	PHA	phenylalaninal
+c1cc(ccc1C(=O)O)O	PHB	p-hydroxybenzoic acid
+C[C@@H](c1ccccc1)N(C)C=O	PHC	n-methyl-n-(methylbenzyl)formamide
+C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O	PHD	aspartyl phosphate
+c1ccc(cc1)C[C@@H](C(=O)O)N	PHE	phenylalanine
+c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-]	PHE_LEO2	l-phenylalanine c-terminal deprotonated fragment
+c1ccc(cc1)C[C@@H](C(=O)O)[NH-]	PHE_LEO2H	l-phenylalanine c-terminal protonated fragment
+c1ccc(cc1)C[C@@H](C(=O)O)N	PHE_LFOH	l-phenylalanine free neutral
+c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+]	PHE_LFZW	l-phenylalanine free zwitterion
+c1ccc(cc1)C[C@@H]([C-]=O)[NH-]	PHE_LL	l-phenylalanine - linking embedded fragment
+c1ccc(cc1)C[C@@H]([C-]=O)[NH3+]	PHE_LSN3	l-phenylalanine n-terminal protonated fragment
+O[Hf]12(O[Hf]34([O@@]15[Hf]67(O3)(O[P@@]8(=O)O[Hf]9(O6)([O@@]7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O	PHF	hf-oxo-phosphate cluster phf
+c1ccc(cc1)[Hg]	PHG	phenylmercury
+C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1	PHH	4,5,6,7-tetrachloro-phthalide
+c1cc(ccc1C[C@@H](C(=O)O)N)I	PHI	iodo-phenylalanine
+c1ccc(cc1)NC(=O)ON	PHJ	n-[(aminooxy)carbonyl]-n-phenylamine
+c1ccc(cc1)C[C@@H]([C@H](CCl)O)N	PHK	(2r,3s)-3-amino-1-chloro-4-phenyl-butan-2-ol
+c1ccc(cc1)C[C@@H](CO)N	PHL	l-phenylalaninol
+c1ccc(cc1)C[C@@H](C(=O)CCl)N	PHM	(3s)-3-amino-1-chloro-4-phenylbutan-2-one
+c1cc2ccc3cccnc3c2nc1	PHN	1,10-phenanthroline
+CCC1=C(/c/2c/c3c(c(c([nH]3)/cc/4\nc(c5c6c(c(/c(/[nH]6)c/c1n2)C)C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C=C)C	PHO	pheophytin a
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3)O)NC(=O)OCc4ccccc4	PHP	(2-phenyl-1-carbobenzyl-oxyvalyl-amino)-ethyl-phosphinic acid
+c1ccc(cc1)COC(=O)Cl	PHQ	benzyl chlorocarbonate
+C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O	PHR	3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl ) hexane 1-phosphate
+OP(=O)O	PHS	phosphonic acid
+c1ccc(c(c1)C(=O)O)C(=O)O	PHT	phthalic acid
+c1ccc(cc1)NC(=O)N	PHU	1-phenylurea
+COCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(=O)(O)O	PHV	n-[(benzyloxy)carbonyl]-beta-phenyl-d-phenylalanyl-n-[(1s)-4-methoxy-1-phosphonobutyl]-l-prolinamide
+CO/C=C/C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(O)(O)(Oc5ccccc5)Oc6ccccc6	PHW	n-[(benzyloxy)carbonyl]-beta-phenyl-d-phenylalanyl-n-{(1s,3e)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-l-prolinamide
+c1ccc(cc1)C2=NC(=CNCCCC(=O)O)C(=O)O2	PHX	4-{[(z)-(5-oxo-2-phenyl-1,3-oxazol-4(5h)-ylidene)methyl]amino}butanoic acid
+C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)(O)O)C(=O)O	PHY	1(s)-aminoethyl-(2-carboxypropyl)phosphoryl-phosphinic acid
+c1ccc(cc1)NN	PHZ	1-phenylhydrazine
+OP(=O)([O-])[O-]	PI	hydrogenphosphate ion
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]([C@H](C)CC)NS(=O)(=O)Cc2ccccc2)\N	PI0	(2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r,3r)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C[C@@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O	PI1	1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-yl)-2-hydroxy-ethyl] -pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-2-methyl-propylcarbamoyl) -2-methyl-butyl]-amide
+CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)CC(=O)N)O	PI2	2-{11-[1-hydroxy-2-(3-methyl-butylamino)-ethyl] -6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca- 1(16),13(17),14-trien-8-yl}-acetamide
+CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)C(C)C)O	PI3	11-[1-hydroxy-2-(3-methyl-butylamino)-ethyl]-8-isopropyl-2-oxa-7,10- diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-6,9-dione
+CC(C)(C)NC(=O)[C@@H]1CCCC[N@]1C[C@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O	PI4	1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca- 1(16),13(17),14-trien-11-yl)-2-hydroxy-ethyl]-piperidine-2-carboxylic acid tert-butylamide
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)N4CCCC4=O)O	PI5	n-[3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14- trien-11-ylamino)-2-hydroxy-1-(4-hydroxy-benzyl)-propyl]-3-methyl-2- (2-oxo-pyrrolidin-1-yl)-butyramide
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	PI6	[1-benzyl-3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-ylamino)-2-hydroxy-propyl]-carbamic acid tert-butyl ester
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)NC(=O)CC)O	PI7	n-[3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-yamino)-2-hydroxy-1-(4-hydroxy-benzyl) -propyl]-3-methyl-2-propionylamino-butyramide
+CC[C@H](C)[C@H]1C(=O)NCCCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H](C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O)O	PI8	n-13-[(10s,13s)-9,12-dioxo-10-(2-butyl)-2-oxa-8,11-diazabicyclo [13.2.2] nonadeca-15,17,18-triene] (2r)-benzyl-(4s)-hydroxy-5-aminopentanoic (1r)-hydroxy-(2s)-indaneamide
+CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)c3ccc(cc3)N	PI9	(10s,13s,1'r)-13-[1'-hydroxy-2'-(n-p-aminobenzenesulfonyl-1''-amino-3''-methylbutyl)ethyl]-8,11-dioxo-10-isopropyl-2-oxa-9,12-diazabicyclo [13.2.2]nonadeca-15,17,18-triene
+C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N	PIA	[(4z)-2-[(1s)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CCCC(=O)OC[C@@H](CO[P@](=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC	PIB	2-(butanoyloxy)-1-{[(hydroxy{[2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}ethyl butanoate
+c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O	PIC	6-(difluoro-phosphono-methyl)-naphthalene-2-carboxylic acid
+CC(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(C(=O)O1)\C=C\[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C	PID	peridinin
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C\CCCCCCCC	PIE	1,2-diacyl-sn-glycero-3-phosphoinositol
+CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC	PIF	(2r)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate
+C(COCCOCCO)O	PIG	2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethanol
+c1ccc(cc1)I	PIH	iodobenzene
+CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)O)O)O)O	PII	2-[(hydroxy{[(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1-[(palmitoyloxy)methyl]ethyl heptadecanoate
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCCCCCC	PIK	(2s)-3-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate
+COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl	PIL	3-(cyclopentyloxy)-n-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide
+c1ccc(cc1)c2cnc[nH]2	PIM	4-phenyl-1h-imidazole
+C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O	PIN	piperazine-n,n'-bis(2-ethanesulfonic acid)
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC	PIO	[(2r)-2-octanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
+C1CCNCC1	PIP	piperidine
+Cn1c2cc(cnc2nc1N)c3ccccc3	PIQ	2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine
+c1cc(ccc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N	PIR	2-(4-amino-phenyl)-5-hydroxymethyl-pyrrolidine-3,4-diol
+OP(=O)(O)O[P@](=O)(O)[S-]	PIS	trihydrogen thiodiphosphate
+c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O	PIT	piceatannol
+Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(=O)(=O)N)C	PIU	1-{2-[4-(aminosulfonyl)phenyl]ethyl}-2,4,6-trimethylpyridinium
+CC(C)(C)C(=O)O	PIV	pivalic acid
+c1ccc(cc1)n2ccnc2	PIW	1-phenyl-1h-imidazole
+c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)O	PIX	4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
+c1ccc(cc1)c2[nH]ccn2	PIY	2-phenyl-1h-imidazole
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC	PIZ	(2s)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate
+CN(C[C@H](Cn1ccnc1)O)c2ccc(cc2)Cl	PJ1	(2r)-1-[(4-chlorophenyl)(methyl)amino]-3-(1h-imidazol-1-yl)propan-2-ol
+CCCCC[C@@H](C/C=C\1/[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O	PJ2	(5z,12z,15s)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid
+CN1CCN(CC1)C2c3ccccc3CC(=N2)Cl	PJ4	(1s)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline
+C1[C@H]([C@@H]([C@H]([C@H]1O)O)O)CO	PJ5	(1~{s},2~{s},3~{s},4~{s})-4-(hydroxymethyl)cyclopentane-1,2,3-triol
+c1c(coc1C(=O)O)N	PJ7	4-aminofuran-2-carboxylic acid
+CCCCCCCCCCCCCCCCC	PJ8	heptadecane
+Cc1cc(c(c2c1C(=O)Oc3c(c(cc(c3O2)C(=O)O)OC)C)C=O)O	PJA	4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11h-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid
+COc1ccc(c(c1)C2=NNC(=S)N2NCc3ccccc3C(=O)O)O	PJB	2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{h}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid
+c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c(cnc(n4)N5CCC(=O)CC5)C(F)(F)F	PJC	3-(1h-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1h-pyrrole-2,5-dione
+CS(=O)(=O)Cc1c(cccc1Cl)Cl	PJD	1,3-dichloro-2-[(methylsulfonyl)methyl]benzene
+C1CNC(=O)[C@@H]1C[C@@H](/C=C/C(=O)O)N	PJE	(e,4s)-4-azanyl-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid
+C1C2CC3CC1CC(C2)(C3)NCCN	PJG	n~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine
+CNC(=O)c1cccnc1	PJH	~{n}-methylpyridine-3-carboxamide
+c1ccc(cc1)C[C@H](C[C@@H]([C@H](Cc2ccccc2)N)O)C(=O)O	PJJ	(2r,4s,5s)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid
+c1cc(c(cc1N2CC[C@@H](C2)C(=O)O)C(F)(F)F)Cl	PJK	(3~{s})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
+C(/C=N/C(=O)/C=C/O)C(=O)O	PJL	(3~{e})-3-[(~{e})-3-oxidanylprop-2-enoyl]iminopropanoic acid
+c1cc(ccc1c2nnc(o2)c3cc(cc(c3)F)c4c(cncn4)F)C(=O)N[C@@H](Cn5ccnc5)c6ccc(cc6Cl)c7ccc(cc7)F	PJM	n-[(1r)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1h-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide
+CCN(CC)S(=O)(=O)c1ccc(cc1)C	PJP	n,n-diethyl-4-methylbenzene-1-sulfonamide
+CN1c2c(n(c(n2)Oc3cccc(c3)OC(F)(F)F)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO	PJQ	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione
+Cc1nccc(n1)C(=O)N(C)Cc2c(cccc2Cl)F	PJS	n-[(2-chloro-6-fluorophenyl)methyl]-n,2-dimethylpyrimidine-4-carboxamide
+Cc1cc2c(s1)N=C3[C@](C2=O)(CCN3c4ccc(cc4)N5CCOCC5)O	PJT	(9~{s})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one
+c1ccc(c(c1)Oc2cccnn2)Br	PJV	3-(2-bromophenoxy)pyridazine
+c1ccc2c(c1)-c3ccccc3I2	PJW	benzo[b][1]benziodole
+CN(C)C(=O)c1cccnc1SC	PJY	n,n-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide
+CCCCCCCCCCCC(=O)OC(C)COC(=O)CC/C=C/C=C/C=C/C=C/C=C/CC	PJZ	(2r)-2-(dodecanoyloxy)propyl (4e,6e,8e,10e,12e)-pentadeca-4,6,8,10,12-pentaenoate
+C[C@]1(C(=O)N(C(=O)N1C)c2ccc(c(c2)C(F)(F)F)C#N)c3ccc(cc3)O	PK0	4-[(4r)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
+C[C@]1(C(=O)N(C(=S)N1C)c2ccc(c(c2)Cl)Cl)c3ccc(cc3)O	PK1	(5r)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one
+CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC4)N=C(NC3=O)N	PK2	6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CNc1[nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N	PK3	6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+Cc1cccc(c1F)S(=O)(=O)NC	PK4	2-fluoro-n,3-dimethylbenzene-1-sulfonamide
+CCC1C(N2CC(CCC2N1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(C(=O)NC5=O)C	PK5	2-ethyl-~{n}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide
+CNS(=O)(=O)c1cccs1	PK6	n-methyl-2-thiophenesulfonamide
+c1cc(c(cc1CN)Cl)F	PK7	1-(3-chloro-4-fluorophenyl)methanamine
+c1cc[n+]2c(c1)S[Zn]O2	PK8	9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene
+CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1	PK9	tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate
+CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl	PKA	n-[(2r)-butan-2-yl]-1-(2-chlorophenyl)-n-methylisoquinoline-3-carboxamide
+CCOc1ccc2c(cnn2n1)c3ccnc(n3)Nc4cc(cc(c4)OC)C(F)(F)F	PKB	4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{n}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
+c1ccc(cc1)C[C@@H]([C@@H](CN)O)N	PKC	(2r,3s)-1,3-diamino-4-phenylbutan-2-ol
+c1cc(ccc1C(=O)N2CSC[C@@H]2C(=O)O)Cl	PKD	(4s)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
+CN(c1c(cccn1)CNc2ccnc(n2)Nc3ccc4c(c3)CC(=O)N4)S(=O)(=O)C	PKE	~{n}-methyl-~{n}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)N[P@@](=O)([C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]3CCCN3C(=O)OCc4ccccc4)O	PKF	carbobenzoxy-pro-lys-phe-y(po2)-ala-pro-ome
+CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3ccc4c(c3)CN(CC4)C(=O)c5ccccc5	PKG	(3s)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1h-benzotriazol-5-yl)propanoic acid
+Cc1ccc(cc1)c2csc3n2c(nn3)SCC(=O)Nc4ccc5c(c4)OCO5	PKJ	n-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
+Cc1ccc(cc1)c2csc3n2c(cn3)C(=O)NCCc4cccc(c4)Cl	PKL	n-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)OC(=O)C	PKM	4-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+CC1(CC(=C(C(=O)C1)c2ccc(cc2)Oc3nc4ccc(cc4s3)Cl)O)C	PKP	4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3h)-one
+C[N@@]1CCC[C@H]1C(=O)O	PKR	(2s)-1-methylpyrrolidine-2-carbaldehyde
+C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/Cc1c(c(cc(n1)OC)O)C)/C)O	PKS	2-[(2e,5e,7e,9r,10r,11e)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSCCC(=O)NCc3cccnc3	PKT	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate
+CNC(=O)c1cc(c[nH]1)Br	PKU	4-bromanyl-~{n}-methyl-1~{h}-pyrrole-2-carboxamide
+B(Cn1cc(nn1)CNS(=O)(=O)c2ccc(cc2)C)(O)OP(=O)(O)O	PKV	[4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
+B(Cn1cc(nn1)c2cccc(c2)C(=O)N)(O)OP(=O)(O)O	PKY	[4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
+CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	PKZ	palmitoyl-coa
+[H]/N=C(/N)\Nc1ccccc1	PL0	1-phenylguanidine
+Cc1c([n+](c(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)[Co]OO)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5ccccc5)O	PL1	cobalt (iii)-deglycopepleomycin
+[H]/N=C(/N)\NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O	PL2	(4-{[(4-{[amino(imino)methyl]amino}butyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+CCCCCCCCCCCCCCCCO	PL3	hexadecan-1-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O	PL4	(2s,6s)-2-amino-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]heptanedioic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O	PL5	(2s,6s)-2-amino-6-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}heptanedioic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](CCC(=O)O)C(=O)O)O	PL6	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-glutamic acid
+c1ccc(cc1)OCC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O	PL7	(2e)-2-({(2s)-2-carboxy-2-[(phenoxyacetyl)amino]ethoxy}imino)pentanedioic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CC=C(NC2=O)CCCO)O	PL8	[5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C	PL9	2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl-2,5-cyclohexadiene-1,4-dione-2,3-dimethyl-5-solanesyl-1,4-benzoquinone
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O	PLA	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-succinic acid
+c1cnc(nc1)Oc2ccc(c(c2)C(=O)O)NC(=O)c3ccc(cc3Cl)Cl	PLB	2-[(2,4-dichlorobenzoyl)amino]-5-(pyrimidin-2-yloxy)benzoic acid
+CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC	PLC	diundecyl phosphatidyl choline
+CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC	PLD	di-heneicosanoyl phosphatidyl choline
+CC(C)C[C@H](N)P(=O)(O)O	PLE	[(1r)-1-amino-3-methylbutyl]phosphonic acid
+C[C@@H](C(=O)O)n1cc(nn1)[C@@H]2CCCN2	PLF	2-[5-(1-amino-2-methyl-butyl)-[1,2,3]triazol-1-yl]-propionic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O	PLG	n-glycine-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane]
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC	PLH	methylamino-phenylalanyl-leucyl-hydroxamic acid
+CC1=C(/C(=C\N=C(/C)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	PLI	(2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}propanoic acid
+COC(=O)[C@@H]1CCCN1	PLJ	methyl l-prolinate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CC(C)C)CC(=O)O)O	PLK	(3r)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-methylhexanoic acid
+C1C2[Pd]1C2	PLL	palladium(ii) allyl complex
+CCCCCCCCCCCCCCCC(=O)O	PLM	palmitic acid
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	PLO	(3beta)-3-hydroxypregn-5-en-20-one
+Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O	PLP	pyridoxal-5'-phosphate
+C1=CC(=O)C=CC1=O	PLQ	1,4-benzoquinone
+Cc1c(cnc(c1O)C)COP(=O)(O)O	PLR	(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O	PLS	[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O	PLT	[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-l-tryptophane
+CC(C)C[C@H](N)P(=O)(O)O	PLU	leucine phosphonic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](COC)C(=O)O)O	PLV	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-o-methyl-l-serine
+CC[C@H](C)[C@@H](c1cnnn1[C@@H](C)C(=O)O)N	PLW	(2s)-2-[5-(1s,2s)-(1-amino-2-methyl-butyl)-[1,2,3]triazol-1-yl]-propionic acid
+CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@@H](CCCCCCCCCCCCCCC)O)CO[P@](=O)(O)OCC[N+](C)(C)C	PLX	(9r,11s)-9-({[(1s)-1-hydroxyhexadecyl]oxy}methyl)-2,2-dimethyl-5,7,10-trioxa-2lambda~5~-aza-6lambda~5~-phosphaoctacosane-6,6,11-triol
+CCCCCCCCCCCCCCCC=O	PLY	palmitoyl
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(=O)O)O	PLZ	4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@]4([C@@H](C3)[C@@H](C(=C(C4=O)C(=O)C)O)OC)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O	PM0	premithramycin b
+c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3)C(=O)c4c(cccc4F)F)N	PM1	[2-amino-6-(2,6-difluoro-benzoyl)-imidazo[1,2-a]pyridin-3-yl]-phenyl-methanone
+c1ccc(cc1)CCc2cc(cnc2)C(=O)N3CCC(CC3)c4cccc(c4)CN	PM2	1-[3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine
+c1cc(ccc1C[C@@H](C(=O)O)N)CP(=O)(O)O	PM3	2-amino-3-(4-phosphonomethyl-phenyl)-propionic acid
+CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O	PM4	s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) hexanethioate
+CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O	PM5	s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) heptanethioate
+c1[nH]c2c(n1)c(ncn2)S	PM6	9h-purine-6-thiol
+CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	PM7	(5as,12as,13as)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O	PM8	s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) decanethioate
+CC1=C(/C(=C\N=C(/CCSC)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	PM9	(2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-4-(methylsulfanyl)butanoic acid
+c1c(c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O	PMA	pyromellitic acid
+c1cc(ccc1S(=O)(=O)O)[Hg]	PMB	para-mercury-benzenesulfonic acid
+c1cc(c(nc1)C(=O)O)CP(=O)(O)O	PMC	3-(phosphonomethyl)pyridine-2-carboxylic acid
+c1ccc2c(c1)C=Cc3ccccc3N2Cc4cnc5c(n4)c(nc(n5)N)N	PMD	[n-(2,4-diaminopteridin-6-yl)-methyl]-dibenz[b,f]azepine
+COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N	PME	n-l-alpha-aspartyl l-phenylalanine 1-methyl ester
+c1ccc(cc1)CS(=O)(=O)F	PMF	phenylmethylsulfonyl fluoride
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CCC(=O)O)C(=O)O)O	PMG	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-l-glutamic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O	PMH	(5-hydroxy-4-{[(3-hydroxyisoxazol-4-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+c1ccc2c(c1)CC(C2)(N)P(=O)(O)O	PMI	(2-amino-2,3-dihydro-1h-inden-2-yl)phosphonic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc2ccccc2)\\N	PMJ	n~2~-(benzylsulfonyl)-d-arginyl-n-(4-carbamimidoylbenzyl)glycinamide
+CCCCCCC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(O)O	PMK	(4r,8s,16s,20r)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate
+C(CCC(=O)O)CCC(=O)O	PML	pimelic acid
+c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O	PMM	pterin-6-yl-methyl-monophosphate
+C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C=C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O)O2	PMN	platensimycin
+COc1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	PMO	n1-(5'-phospho-alpha-ribosyl)-5-methoxybenzimidazole
+Cc1c(c(c(cn1)COP(=O)(O)O)CN)O	PMP	4'-deoxy-4'-aminopyridoxal-5'-phosphate
+c1ccc(cc1)CNC(=O)O	PMQ	benzylcarbamic acid
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(=C9CCC(=O)O)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C	PMR	protochlorophyllide
+c1ccc(cc1)CS(=O)(=O)O	PMS	phenylmethanesulfonic acid
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O	PMT	phosphoric acid mono-[3-(3-{[5-(4-amino-2-oxo-2h-pyrimidin-1-yl)-3,4- dihydroxy-tetrahydro-furan-2- ylmethoxy]-hydroxy-phosphoryloxy}-3-oxo-propylcarbamoyl)-3-hydroxy-2,2- dimethyl-propyl] ester
+CC(C)c1cc(nc(n1)N)c2cc(ccc2O)N3C[C@@H]([C@H](C3)O)O	PMU	(3s,4s)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol
+C[C@@](CCOP(=O)(O)O)(CC(=O)O)O	PMV	(3r)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid
+CC[C@H]([C@H]1c2nnc(n2-c3c(c(c(s3)C)C)[C@H](N1)c4ccc(cc4)Cl)C)C(=O)OC	PMW	 methyl (r)-2-((s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)butanoate
+COC(=O)/C=C/C(=O)N[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O	PMX	3-chloro-n-[(2e)-4-methoxy-4-oxobut-2-enoyl]-l-tyrosine
+Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5ccccc5)O	PMY	aglycon of peplomycin
+CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C	PMZ	1-[10-(3-dimethylamino-propyl)-10h-phenothiazin-2-yl]-ethanone
+CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)Oc3ccncc3)C(=O)NO)C	PN0	prinomastat
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](c3ccccc3)N)C(=O)O)C	PN1	(2s,6r)-6-{[(2r)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+CC(C)(CO[P@](=O)(O)OCC(=C=O)N)[C@H](C(=O)NCCC(=O)NCCS)O	PN2	4'-(3-aminopropionic) phosphopantetheine
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(C=O)O	PN3	tert-butyl {(2s)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate
+CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O	PN4	(2r)-2,4-dihydroxy-3,3-dimethyl-n-[3-oxo-3-(pentylamino)propyl]butanamide
+CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O	PN5	(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate
+CC(C)(C)c1c(nc[nH]1)/C=C\2/C(=O)N/C(=C\c3ccccc3)/C(=O)N2	PN6	(3z,6z)-3-benzylidene-6-[(5-tert-butyl-1h-imidazol-4-yl)methylidene]piperazine-2,5-dione
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O	PN7	n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(2-sulfanylethyl)-beta-alaninamide
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CN[N]#N)O	PN8	(1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	PNA	4-nitrophenyl alpha-d-mannopyranoside
+c1cc(ccc1CO[P@](=O)(CCCC(=O)NCC(=O)O)O)[N+](=O)[O-]	PNB	4-nitro-benzylphosphonobutanoyl-glycine
+c1cc(ccc1CNC(=O)CCCC(=O)NCC(=O)O)[N+](=O)[O-]	PNC	para-nitrobenzyl glutaryl glycinic acid
+c1cc(ccc1NN)[N+](=O)[O-]	PND	p-nitrophenylhydrazine
+CC(C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]	PNE	para-nitrophenyl phosphonobutanoyl l-alanine
+c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCCCCCC(=O)O)O	PNF	6-{4-[hydroxy-(4-nitro-phenoxy)-phosphoryl]-butyrylamino}-hexanoic acid
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	PNG	4-nitrophenyl alpha-d-glucopyranoside
+CCCC(=O)C	PNH	pentan-2-one
+CN1C=CC(=C2c3ccc4n3[Ni]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1	PNI	tetra[n-methyl-pyridyl] porphyrin-nickel
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N	PNJ	4-nitrophenyl 2-amino-2-deoxy-beta-d-glucopyranoside
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C	PNK	(2r,4s)-2-{(r)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CCC=O	PNL	propanal
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)Cc2ccccc2)C(=O)O)C	PNM	open form - penicillin g
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C	PNN	penicillin g
+C[P@](=O)(N)O	PNO	p-methyl aminophosphinic acid
+C[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]	PNP	methyl-phosphonic acid mono-(4-nitro-phenyl) ester
+[Be](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1)[N+](=O)[O-])(F)(F)F	PNQ	p-nitrophenyl aminoethyldiphosphate beryllium trifluoride
+CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]	PNR	4-nitrophenyl hexadecanoate
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	PNS	4'-phosphopantetheine
+c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N	PNT	1,5-bis(4-amidinophenoxy)pentane
+C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N	PNU	6-chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfanyl)-pyrimidin-4-ylamine
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)O)C	PNV	(2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1- azabicyclo(3.2.0)heptane-2-carboxylic acid
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	PNW	4-nitrophenyl beta-d-glucopyranoside
+CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C	PNX	3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1h-purine-2,6-dione
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O	PNY	(2r)-2,4-dihydroxy-3,3-dimethyl-n-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
+c1cc(ccc1CN)[N+](=O)[O-]	PNZ	p-nitro-benzylamine
+CC[C@H](Cc1ccccc1)N	PO0	1-benzyl-(r)-propylamine
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N)OC	PO1	(9beta,13alpha,14beta,17alpha)-2-methoxyestra-1,3,5(10)-triene-3,17-diyl disulfamate
+[O-]P=O	PO2	hypophosphite
+[O-][P-](=O)[O-]	PO3	phosphite ion
+[O-]P(=O)([O-])[O-]	PO4	phosphate ion
+CN(C)C[C@@H](COc1ccc(cc1)Nc2nccc(n2)c3cnn4c3ccc(n4)N5CCOCC5)O	PO5	(2s)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol
+c1ccc(cc1)OCC(=O)N	PO6	2-phenoxyacetamide
+CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)NC(=Cc3cc(ccc3F)F)C(=O)N2	PO7	(6z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]piperazine-2,5-dione
+C([C@H]1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)[NH3+])O	PO8	(1~{r},2~{s},3~{s},4~{s},5~{r},6~{r})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](COP(=O)(O)O)O	PO9	[(2r)-2-hexadecanoyloxy-3-[oxidanyl-[(2s)-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (z)-octadec-9-enoate
+C(C=O)P(=O)(O)O	POA	phosphonoacetaldehyde
+CC[C@H](C(=O)O)O[P@](=O)([C@@H](C)N)OP(=O)(O)O	POB	2-[(1-amino-ethyl)-phosphate-phosphinoyloxy]-butyric acid
+C[N+](C)(C)CCOP(=O)(O)O	POC	phosphocholine
+COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5C2C(=O)OC5)O)OCO4	POD	9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC(=O)N(C2=O)Cc5cccnc5)OS(=O)(=O)N	POF	(4as,4br,10bs,12as)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate
+C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O	POG	(20s)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol
+C[n+]1ccc(cc1)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7cc[n+](cc7)C)/C=C5)/c8cc[n+](cc8)C)/cc4)/c9cc[n+](cc9)C)C=C3	POH	(1z,4z,9z,15z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCC[C@@H](C(=O)O)NC(=O)C)O	POI	n~2~-acetyl-n~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-ornithine
+c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCC[C@H]3CN4CCOCC4	POJ	n-[4-({(2s)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-n'-[4-(trifluoromethyl)phenyl]urea
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCC(=O)O	POK	2-[[~{n}-[(4~{s})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid
+CCCO	POL	n-propanol
+C[C@H]1C(=O)C[C@H](N1)C(=O)O	POM	cis-5-methyl-4-oxoproline
+N=[P@@](O)([O-])O[P@](=O)(O)[O-]	PON	imido diphosphate
+C[N@]1CCC[C@H](C1)CN(C)C(=O)Cn2c3cc(ccc3c(c2c4ccccc4)C5CCCCC5)C(=O)O	POO	3-cyclohexyl-1-(2-{methyl[(1-methylpiperidin-3-yl)methyl]amino}-2-oxoethyl)-2-phenyl-1h-indole-6-carboxylic acid
+O[P@@](=O)([O-])O[P@@](=O)(O)[O-]	POP	pyrophosphate 2-
+CCO[P@@](=O)(O)O[C@@H]1[C@H]([C@@H](C(O[C@H]1O)COP(=O)(O)OCC2[C@H]([C@@H]([C@H]([C@@H](O2)O)O[P@@](=O)(O)OCC)O)O)O)O	POQ	bis(((3s,4s,5r,6r)-5-(ethyl(phosphoryloxy))-3,4,6-trihydroxy-tetrahydro-2h-pyran-2-yl)methyl) hydrogen phosphate
+c1cc2n3c1C=C4C=CC5=[N]4[Fe]36[N]7=C(C=CC7=C2)C=C8N6C(=C5)C=C8	POR	porphyrin fe(iii)
+CC(C)C[C@@H](C(=O)NC[C@H](CNS(=O)(=O)c1ccc(cc1)Oc2ccccc2)O)NC(=O)c3ccncc3	POS	1-[[(4-phenoxyphenyl)sulfonyl]amino]-3-[[n/n-(4-pyridinylcarbonyl)-l-leucyl]amino]-2-propanol
+CC[C@@H](COc1ccccc1)O[P@](=O)(C)Cl	POT	(1s)-1-(phenoxymethyl)propyl methylphosphonochloridoate
+CC[C@@H](CO)/C=C(/C)\[C@@H]1C[C@H](C[C@@H](C([C@@]2([C@@H]([C@@H](C[C@@H](O2)C[C@H]([C@@H](C(=O)O1)O)OC)OC)O)O)(C)C)O)OC	POU	peloruside a
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	POV	(2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
+c1ccc(cc1)NC(=O)OC[C@@H](CN2CCCCC2)OC(=O)Nc3ccccc3	POW	diperodon
+COCCO/N=C/c1c(ncnc1Nc2ccc3c(c2)cnn3Cc4cccc(c4)F)N	POX	4-amino-6-{[1-(3-fluorobenzyl)-1h-indazol-5-yl]amino}pyrimidine-5-carbaldehyde o-(2-methoxyethyl)oxime
+CCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C	POY	3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1h-purine-2,6-dione
+CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@@H]5CC[C@@](O5)(Cn6cncn6)c7ccc(cc7F)F	POZ	2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-o-{4-[4-(4-{1-[(1s,2s)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4h-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1h-1,2,4-triazol-1-yl)-d-erythro-hexitol
+CCn1c(c(c(c1C(=O)OCC)C)C(=O)N2CCN(CC2)Cc3ccccc3)C	PP0	ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1h-pyrrole-2-carboxylate
+Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	PP1	1-ter-butyl-3-p-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
+CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N	PP2	1-tert-butyl-3-(4-chloro-phenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O	PP3	alanyl-pyridoxal-5'-phosphate
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc2ccccc2c1)[P@@](=O)([O-])O[C@@H](Cc3ccccc3)C(=O)OC)NC=O	PP4	methyl (2s)-[1-((n-formyl)-l-valyl)amino-2-(2-naphthyl)ethyl)hydroxyphosphinyloxy]-3-phenyl propanoate
+CC(C)[C@@H](C(=O)NC[P@](=O)([O-])O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)Cc2cccc3c2cccc3	PP5	methyl (2s)-[1-((n-(naphthaleneacetyl))-l-valyl)aminomethyl)hydroxyphosphinyloxy]-3-phenyl propanoate
+CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc3cccc(c3c2)CC(=O)N1)[P@@](=O)([O-])O[C@@H](Cc4ccccc4)C(=O)OC	PP6	methyl[cyclo-7[(2r)-((n-valyl)amino)-2-(hydroxyl-(1s)-1-methyloxycarbonyl-2-phenylethoxy)phosphinyloxy-ethyl]-1-naphthaleneacetamide]
+CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)NCc2cccc(c2)C[C@H](O[P@]1(=O)O)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C	PP7	methyl cyclo[(2s)-2-[[(1r)-1-(n-(l-n-(3-methylbutanoyl)valyl-l-aspartyl)amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-(3-aminomethyl)phenylpropanoate
+CC(C)C[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC	PP8	2-[(1r)-1-(n-(3-methylbutanoyl)-l-valyl-l-asparaginyl)-amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-phenylpropanoic acid methylester
+Cc1c2\cc\3/nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C	PP9	protoporphyrin ix
+B([C@H](Cc1cccc(c1)C#N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)(O)O	PPB	1-{[1-(2-amino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-2-(3-cyano-phenyl)-ethaneboronic acid
+C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O	PPC	1-o-[(r)-hydroxy(phosphonomethyl)phosphoryl]-5-o-phosphono-alpha-d-ribofuranose
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CC(=O)O)C(=O)O)O	PPD	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethylene)-amino]-succinic acid
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O	PPE	4-[(1,3-dicarboxy-propylamino)-methyl]-3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridinium
+C(=O)(O)P(=O)(O)O	PPF	phosphonoformic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\OCCN)/C(=O)O)O	PPG	(2e,3e)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid
+c1ccc(cc1)C[C@H](N)P(=O)(O)O	PPH	[(1r)-1-amino-2-phenylethyl]phosphonic acid
+CCC(=O)O	PPI	propanoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](C[C@H](C)O)C(=O)O)O	PPJ	n-(hydroxy{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)norvaline
+N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O	PPK	(diphosphono)aminophosphonic acid
+CC(C)(C)NC(=O)[C@@H]1CCCCN1	PPL	piperidine-2-carboxylic acid tert-butylamide
+CP(=O)(O)O	PPM	phosphonomethyl group
+c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-]	PPN	para-nitrophenylalanine
+c1nc2c(c(n1)O)N=NC2	PPO	3h-pyrazolo[4,3-d]pyrimidin-7-ol
+c1ccc(cc1)C[C@@H](CO)O	PPP	3-phenyl-1,2-propandiol
+C[P@](=O)(CC[C@@H](C(=O)O)N)O	PPQ	phosphinothricin
+C(C(=O)C(=O)O)P(=O)(O)O	PPR	phosphonopyruvate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N	PPS	3'-phosphate-adenosine-5'-phosphate sulfate
+Cc1ccc(cc1)CCC(=O)O	PPT	3-(p-tolyl)propionic acid
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O	PPU	puromycin-5'-monophosphate
+OP(=O)(O)OP(=O)(O)O	PPV	pyrophosphate
+c1c2c(n(n1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	PPW	7-deaza-8-aza-2'-deoxyguanosine-5'-monophosphate
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCNc3ccncc3)N	PPX	[phenylalaninyl-prolinyl]-[2-(pyridin-4-ylamino)-ethyl]-amine
+c1ccc(cc1)CC(=O)C(=O)O	PPY	3-phenylpyruvic acid
+c1ccn2c(c1)nc3c2ncnc3NCCO	PPZ	2-(pyrido[1,2-e]purin-4-yl)amino-ethanol
+c1c(c2c([nH]1)N=C(NC2=O)N)C#N	PQ0	2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN	PQ1	phosphoric acid mono-[5-(2-amino-5-aminomethyl-4-oxo-3,5-dihydro-4h-pyrido[2,3-d]pyrimidin-8-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester
+CC\1(C(/C/2=C/C3=N/C(=C\c4c(c(c([nH]4)Cc5c(c(c([nH]5)/C=C1\N2)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)/C(C3(C)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O	PQ2	3,3',3'',3'''-[(7s,8s,12s,13s)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid
+C[N]1=CC(=Cc2c1cccc2)NC(=O)c3ccc4ccc5ccc(nc5c4n3)C(=O)NC6=Cc7ccccc7[N](=C6)C	PQ3	n2,n9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide
+c1cc(ccc1/C=C(/C(=O)O)\N)O	PQ4	(2z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid
+c1cc(c2cc1-c3cnn4c3nc(cc4)NCCOCCO2)C(=O)O	PQ5	7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N5CCCC5	PQ7	4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium
+CC(C)(C)OC(=O)N(CCOCCO)c1ccn2c(n1)c(cn2)c3ccc(c(c3)O)C(=O)O	PQ8	4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid
+CC1=C(C(=O)C(=CC1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C	PQ9	5-[(2e,6e,10e,14e,18e,22e)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-2,3-dimethylbenzo-1,4-quinone
+c1cc(cc(c1)OC2CCNCC2)C(=O)c3cnn(c3N)c4ccc(cc4)F	PQA	[5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone
+c1cc(cc(c1)OC[C@H](CO)O)C(=O)c2cnn(c2N)c3ccc(cc3)F	PQB	[5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl](3-{[(2r)-2,3-dihydroxypropyl]oxy}phenyl)methanone
+c1ccc(cc1)c2cc3c(s2)ccc4c3nc(nc4)Nc5cccc(c5)S(=O)(=O)N	PQC	3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide
+c1cc(cc(c1)N)Cn2ccc3c2ccc4c3c(nc(n4)N)N	PQD	7-[(3-aminophenyl)methyl]-7h-pyrrolo[3,2-f]quinazoline-1,3-diamine
+CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO	PQE	3,6,12,15,18,21,24-heptaoxahexatriacontan-1-ol
+c1ccc(cc1)C2CCC(CC2)(C(=O)O)N	PQG	cis-1-amino-4-phenylcyclohexane-1-carboxylic acid
+Cc1c(cc([nH]1)C(F)(F)F)C(=O)O	PQH	2-methyl-5-(trifluoromethyl)-1~{h}-pyrrole-3-carboxylic acid
+CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C	PQJ	fos-choline-14
+Cc1cc(c(n1C2CC2)C)C(=O)O	PQK	1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid
+c1cc(cnc1)c2ccc(cc2)C(=O)O	PQM	4-(pyridin-3-yl)benzoic acid
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C	PQN	phylloquinone
+c1cc(ccc1C(=O)O)n2ccnc2	PQP	4-(1h-imidazol-1-yl)benzoic acid
+c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O	PQQ	pyrroloquinoline quinone
+CN(c1ccc(c(c1)O)O)N=O	PQR	4-[methyl(nitroso)amino]benzene-1,2-diol
+c1ccnc(c1)c2ccc(cc2)C(=O)O	PQS	4-(pyridin-2-yl)benzoic acid
+c1ccc(c(c1)N2CC[C@H](C2)C(=O)O)Cl	PQT	(3~{r})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
+C1CCCN(CC1)CCNC(=O)/C=N/O	PQV	(2e)-n-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide
+[H]/N=C(/c1cccs1)\Nc2cccc(c2)O[C@@H]3C[C@H](NC3)COc4ccc(cc4)N=C(c5cccs5)N	PQW	n'-[4-[[(2s,4r)-4-[3-[(c-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide
+C1CN(CCN(C1)CCNC(=O)/C=N/O)CCNC(=O)/C=N/O	PQY	(2e,2'e)-n,n'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide]
+Cc1cc(c(n1CC2CC2)C)C(=O)O	PQZ	1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
+[Pr+3]	PR	praseodymium ion
+C[C@H]([C@H](Cc1ccccc1)N)O	PR0	3(s)-amino-4-phenyl-butan-2(r)-ol
+c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4cc(ccc4O)C(=N)N)nc1	PR1	4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine
+c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4cc5ccncc5[nH]4)nc1	PR2	thieno[3,2-b]pyridine-2-sulfonic acid [2-oxo-1-(1h-pyrrolo[2,3-c]pyridin-2-ylmethyl)-pyrrolidin-3-yl]-amide
+CCCSSC[C@@H](C=O)N	PR3	s,s-propylthiocysteine
+C1C[C@H]([N@@](C1)C[C@H](C(=O)O)O)C(=O)O	PR4	1-[(2r)-2-carboxy-2-hydroxyethyl]-l-proline
+c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	PR5	purine riboside-5'-monophosphate
+C(C(=O)O)C(=O)Cl	PR6	3-chloro-3-oxopropanoic acid
+C1C[C@H]([N@@](C1)C[C@@H](C(=O)O)O)C(=O)O	PR7	1-[(2s)-2-carboxy-2-hydroxyethyl]-l-proline
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@@H]4CCCN4)O)O)N	PR8	5'-o-[(r)-hydroxy{[(2s)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine
+C1C[C@@H](NC1)C(=O)N	PR9	d-prolinamide
+c1ccc(cc1)CCCN	PRA	3-phenylpropylamine
+C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)O	PRB	13-acetylphorbol
+Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccnc4	PRC	n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide
+C[N@](Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3nc2)N)N	PRD	n6-(2,5-dimethoxy-benzyl)-n6-methyl-pyrido[2,3-d]pyrimidine-2,4,6-triamine
+C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O	PRE	prephenic acid
+c1c(c2c([nH]1)N=C(NC2=O)N)CN	PRF	7-deaza-7-aminomethyl-guanine
+c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O	PRH	6-hydroxy-1,6-dihydro purine nucleoside
+C1C[C@H](NC1)C=O	PRI	pyrrolidine-2-carbaldehyde
+C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)O	PRJ	(2s,3as,6r,7as)-6-hydroxyoctahydro-1h-indole-2-carboxylic acid
+CCC(=O)NCCCC[C@@H](C(=O)O)N	PRK	n~6~-propanoyl-l-lysine
+c1cc(cc2c1cc3ccc(cc3n2)N)N	PRL	proflavin
+CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N	PRM	3,8-diamino-5[3-(diethylmethylammonio)propyl]-6-phenylphenanthridinium
+c1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	PRN	purine 2'-deoxyribo-5'-monophosphate
+C1C[C@H](NC1)C(=O)O	PRO	proline
+C1C[C@H]([N-]C1)C(=O)[O-]	PRO_LEO2	l-proline c-terminal deprotonated fragment
+C1C[C@H]([N-]C1)C(=O)O	PRO_LEO2H	l-proline c-terminal protonated fragment
+C1C[C@H](NC1)C(=O)O	PRO_LFOH	l-proline free neutral
+C1C[C@H]([NH2+]C1)C(=O)[O-]	PRO_LFZW	l-proline free zwitterion
+C1C[C@H]([N-]C1)[C-]=O	PRO_LL	l-proline - linking embedded
+C1C[C@H]([NH2+]C1)[C-]=O	PRO_LSN3	l-proline n-terminal protonated fragment
+C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O	PRP	1-o-pyrophosphono-5-o-phosphono-alpha-d-ribofuranose
+c1ccc(c(c1)[C@H](CC(=O)O)N)[N+](=O)[O-]	PRQ	(3s)-3-amino-3-(2-nitrophenyl)propanoic acid
+C[n+]1cccc(c1)C[C@@H](C(=O)O)N	PRR	3-(methyl-pyridinium)alanine
+C1[C@H](NCS1)C(=O)O	PRS	thioproline
+[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	PRT	 phosphoribosyl atp 
+C[C@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	PRU	(3r,5r,7r)-octane-1,3,5,7-tetracarboxylic acid
+c1ccc(c(c1)[C@H](C(=O)O)N)[N+](=O)[O-]	PRV	(2r)-amino(2-nitrophenyl)ethanoic acid
+C([C@H]([C@H](C(=O)O)O)O)N	PRW	(2r,3r)-4-amino-2,3-dihydroxybutanoic acid
+CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	PRX	adenosine-5'-monophosphate-propyl ester
+CCCc1ccccc1N	PRY	2-propyl-aniline
+CC(C)Cc1c(nccn1)OC	PRZ	2-isobutyl-3-methoxypyrazine
+C[C@@H]([C@H](Cc1ccccc1)N)O	PS0	3(s)-amino-4-phenyl-butan-2(s)-ol
+CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCC	PS1	1,2-didecanoyl-sn-glycero-3-[phospho-l-serine]
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br	PS2	o-[{[(2r)-2-{[(9s,10s)-9,10-dibromooctadecanoyl]oxy}-3-(palmitoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine
+CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H](Cc3cccc(c3)Cl)N	PS4	n-({(2s)-1-[(3r)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
+[S-]SSS[S-]	PS5	pentasulfide-sulfur
+CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCC	PS6	o-[(s)-{[(2s)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-d-serine
+CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(\C)/CCC=C(C)C)CO[P@](=O)(O)OP(=O)(O)O)/C)/C)C	PS7	{(1r,2r,3r)-2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1e,5e)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccc(nc3)N4CCNCC4)Cl	PS8	2,6-dichloro-4-(6-piperazin-1-ylpyridin-3-yl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+S1SSSSSSS1	PS9	octathiocane
+c1ccc(cc1)C[C@@H]([C@H](CC(=O)O)O)N	PSA	3-hydroxy-4-amino-5-phenylpentanoic acid
+c1ccc(c(c1)CNC(=O)c2cccc(c2)n3nc4c(n3)nc(nc4O)N)Sc5ccccc5CO	PSB	3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-n-[2-(2-(hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CC=CCCCCC	PSC	(7r,17e,20e)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosa-17,20-dien-1-aminium 4-oxide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(NC(=O)[C@@H]4CCCN4)O)O)O)N	PSD	5'-o-[n-(prolyl)-sulfamoyl]adenosine
+C([C@H](COP(=O)(O)O)N)O	PSE	o-phosphoethanolamine
+CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC	PSF	1,2-dicaproyl-sn-phosphatidyl-l-serine
+c1cc(ccc1[N+](=O)[O-])SC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	PSG	4-nitrophenyl 1-thio-beta-d-glucopyranoside
+c1c(ncn1[P@@](=O)(O)S)C[C@@H](C(=O)O)N	PSH	1-thiophosphono-l-histidine
+C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N	PSI	methyl n-{(4s,5s)-5-[(l-alanyl-l-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-l-valyl-l-valinate
+C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O	PSJ	d-psicose
+CC[C@@H]([C@@H](C)C(=O)C[P@@H](=O)O)O	PSK	[(3r,4s)-4-hydroxy-3-methyl-2-oxohexyl]phosphonic acid
+[O-]S(=O)(=O)OS(=O)(=O)[O-]	PSL	pyrosulfate
+CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(=N)N	PSM	n-[dihydroxy(propyl)-lambda~4~-sulfanyl]threonyl-n~1~-{4-[amino(imino)methyl]benzyl}methioninamide
+c1ccc(cc1)CO[P@@](=O)(O)Oc2ccccc2C=O	PSN	benzyl 2-formylphenyl hydrogen phosphate
+Cc1c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CO	PSO	4'-hydroxymethyl-4,5',8-trimethylpsoralen
+c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C=NO	PSP	1,3-propylene-bis-n,n'-syn-4-pyridiniumaldoxime
+C(C[C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O	PSQ	ndelta-(n'-sulphodiaminophosphinyl)-l-ornithine
+CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	PSR	thiobutyric acid s-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester
+CCCC[C@@H](C(=O)O)N1CCN[C@@H](C1=O)Cc2ccccc2	PSS	(2s)-2-[(3r)-3-benzyl-2-oxopiperazin-1-yl]hexanoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O)O	PST	thymidine-5'-thiophosphate
+C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	PSU	pseudouridine-5'-monophosphate
+C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)O	PSV	alpha-d-psicofuranose
+C([C@@H](C(=O)O)N)[Se]S	PSW	3-(sulfanylselanyl)-l-alanine
+CC[C@@H]([C@@H](C)[C@@H](CP(=O)(O)O)O)O	PSX	[(2s,3r,4s)-2,4-dihydroxy-3-methylhexyl]phosphonic acid
+C=CS(=O)(=O)Oc1ccccc1	PSY	phenyl ethenesulfonate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O)O)O	PSZ	4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]thiophene-2-carboxylic acid
+[Pt+2]	PT	platinum (ii) ion
+CCOC(=O)C[P@](=O)([C@H](CC(C)C)N)O	PT0	(r)-[(1r)-1-amino-3-methylbutyl](2-ethoxy-2-oxoethyl)phosphinic acid
+c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O	PT1	pteroic acid
+c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Pt]45NCCN5	PT2	[ethane-1,2-diaminato(2-)-kappa~2~n,n'](1,10-phenanthroline-kappa~2~n~1~,n~10~)platinum(2+)
+CCCNC(=O)[C@@H]([C@H](C(=O)O)O)O	PT3	n-propyl-tartramic acid
+[Pt+4]	PT4	platinum (iv) ion
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CC/C=C\CC=CCC=CCCCCC	PT5	[(2r)-1-octadecanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8z)-icosa-5,8,11,14-tetraenoate
+Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3	PT6	1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1h)-one
+c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl	PT7	chloro[2-(pyridin-2-yl-kappan)phenyl-kappac~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+)
+C1=CC2=[N](C=C1)[Pt]34[N]5=C(C=CC=C5)NC6=CC=CC(=[N]63)C7=[N]4C(=CC=C7)N2	PT9	[pt(h2bapbpy)] platinum
+CC(C)C[C@H](N)[P@@](=O)(CC(=O)O)O	PTA	[(1-amino-3-methyl-butyl)-hydroxy-phosphinoyl]-acetic acid
+CC(C)(C)c1nnc(o1)C(=O)[C@@H]2CCCN2	PTB	(5-tert-butyl-1,3,4-oxadiazol-2-yl)[(2r)-pyrrolidin-2-yl]methanone
+CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2ccc(cc2)OP(=O)(O)O	PTC	2-methylcarbamoyl-3-(4-phosphonooxy-phenyl)-cyclopropanecarboxylic acid
+C(CC=O)CC=O	PTD	pentanedial
+C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)O[P@](=O)(O)O[Mg]([OH2])([OH2])O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S[W])S	PTE	tungstopterin cofactor
+CSCc1ccccc1	PTF	[(methylsulfanyl)methyl]benzene
+CCCCC\C=C\C=C1[C@H](C=CC1=O)C\C=C\CCCC(=O)O	PTG	(5e,14e)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid
+c1cc(c(cc1C[C@@H](C(=O)O)N)CO)OP(=O)(O)O	PTH	ce1-methylene-hydroxy-phosphotyrosine
+c1ccc(cc1)N2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCCC5)O	PTI	2-phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-1,2,3,4-tetrahydro-isoquinolin-6-ol
+CC(C)(COP(=O)(O)O)[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	PTJ	5'-o-[(s)-hydroxy{[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosine
+c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	PTK	pyrene-1,3,6,8-tetrasulfonic acid
+CCCCC=O	PTL	pentanal
+C[C@](Cc1ccc(cc1)OP(=O)(O)O)(C(=O)O)N	PTM	alpha-methyl-o-phosphotyrosine
+[NH3][Pt+2]([NH3])[NH3]	PTN	platinum triamine ion
+CN1[C@H]2CC[C@@H]1CC(C2)O	PTO	pseudotropine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O	PTP	thymidine-3',5'-diphosphate
+c1ccc(cc1)CCS[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	PTQ	2-phenylethyl 1-thio-beta-d-galactopyranoside
+c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O	PTR	o-phosphotyrosine
+C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)N	PTS	(4s-trans)-4-(amino)-5,6-dihydro-6-methyl-4h-thieno (2,3-b)thiopyran-2-sulfonamide-7,7-dioxide
+COc1c2c(nc(n1)N)N[C@H]3[C@@H](N2)C4=C5[C@H](O3)COP(=O)(O[Mg]OP(=O)(OC[C@@H]6C7=C([C@H]8[C@@H](O6)NC9=C(N8)C(=O)NC(=N9)N)S[W](S5)(S7)(S4)O)O)O	PTT	tungstopterin
+CCSC(=Nc1ccccc1)N	PTU	2-ethyl-1-phenyl-isothiourea
+c1cc(sc1)C(=O)CSc2nc([nH]n2)c3ccncc3	PTV	2-[[5-(4-pyridyl)-1h-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone
+C1N2CN3CN1CP(C2)C3	PTW	1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane
+CO/N=C(/c1csc(n1)N)\C(=O)NCP(=O)(O)O	PTX	{[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanoyl]amino}methylphosphonic acid
+CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN	PTY	phosphatidylethanolamine
+Cc1c(nc(s1)N)c2ccccc2	PTZ	5-methyl-4-phenyl-1,3-thiazol-2-amine
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)NP(=O)(O)O)O	PU	puromycin-n-aminophosphonic acid
+CCCCn1c(nc2c1nc(nc2N)F)Cc3cc(ccc3OC)OC	PU0	9-butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine
+COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(nc(nc3n2CCCC#C)F)N	PU1	8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9h-purin-6-ylamine
+COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC	PU2	8-(2,5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine
+CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC	PU3	9-butyl-8-(3,4,5-trimethoxybenzyl)-9h-purin-6-amine
+CCCCn1c(nc2c1ncnc2N)Cc3ccc(cc3)OC	PU4	9-butyl-8-(4-methoxybenzyl)-9h-purin-6-amine
+CCCCn1c(nc2c1ncnc2N)Cc3cccc(c3)OC	PU5	9-butyl-8-(3-methoxybenzyl)-9h-purin-6-amine
+CCCCn1c(nc2c1ncnc2N)Cc3ccc4c(c3)OCO4	PU6	8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9h-
+CCCCn1c(nc2c1ncnc2N)Cc3cc(ccc3OC)OC	PU7	9-butyl-8-(2,5-dimethoxy-benzyl)-9h-purin-6-ylamine
+CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3Cl)OC)OC)OC	PU8	9-butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)-9h-purin-6-ylamine
+COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(ncnc3n2CCCC#C)N	PU9	8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9h-purin-6-ylamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=CC(=O)NC5=O)OP(=O)(O)O)O)N	PUA	adenylate-3'-phosphate-[[2'-deoxy-uridine-5'-phosphate]-3'-phosphate]
+CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	PUB	phycourobilin
+CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)CO2)O	PUC	(5z)-7-{(1r,4s,5s,6r)-6-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid
+C[C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O	PUD	6-deoxy-l-psicose
+c1ccc(cc1)N2CC[C@H](C2)C(=O)O	PUE	(3~{r})-1-phenylpyrrolidine-3-carboxylic acid
+C[C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O	PUF	6-deoxy-alpha-l-psicofuranose
+C([C@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC1=O	PUG	3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl)
+CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+]4CC(C4)F)C=C3[Si](c5c2ccc(c5)N6CC(C6)F)(C)C)C(=O)O	PUJ	(1e,3s)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5h)-ylidene}-3-fluoroazetidin-1-ium
+c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)N	PUK	n-[(2s)-2-amino-3-phenylpropyl]-l-phenylalanine
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](C)[C@H](\C=C\C=C\C=C\C(=O)[C@@H](C)[C@H]([C@H](C)[C@@H]2C\C=C\C=C\C=C\[C@@H](C(=O)C(=C\C=C\C(=C\[C@H](/C(=C/CC(=O)O2)/C)O)\C)C)O)O)O)OC)O)OC	PUL	(1s,2s,3e,5e,7e,10s,11s,12s)-12-[(2r,4e,6e,8z,10r,12e,14e,16z,18s,19z)-10,18-dihydroxy-12,16,19-trimethyl-11,22-dioxoox acyclodocosa-4,6,8,12,14,16,19-heptaen-2-yl]-2,11-dihydroxy-1,10-dimethyl-9-oxotrideca-3,5,7-trien-1-yl 6-deoxy-2,4-di-o-methyl-beta-l-galactopyranoside
+[H]/N=C(/N)\NCC(=O)N([C@@H](CCC(=O)N)C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)C2=CNC(=O)NC2=O)O)O)O	PUM	(1s)-1,4-anhydro-5-[(n-carbamimidoylglycyl-n~2~-hydroxy-l-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-d-ribitol
+CC(C)CC(C)(C)CC(C)(C)CC(C)(C)C	PUN	2,2,4,4,6,6,8-heptamethylnonane
+C1[C@@H]([C@@H]([C@H](O1)CO)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O)O)O	PUP	(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-({[(s)-hydroxy{[(2r,3s,4s)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}phosphoryl]oxy}methyl)tetrahydrofuran-3-yl dihydrogen phosphate
+c1cc(ccc1C2C(=Cc3c(cc(cc3O2)O)O)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O	PUQ	pelargonidin 3-o-beta-d-glucoside
+c1c2c(ncn1)n(c[nH+]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	PUR	purine riboside
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CONC(=O)N)C(=O)O)O	PUS	(e)-o-(carbamoylamino)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-serine
+C(CCN)CN	PUT	1,4-diaminobutane
+C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(c(c3)F)C(=O)O)CC(=O)Nc4nccs4	PUV	2-fluoro-4-{[(1r)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
+C(CCNC(=O)CP(=O)(O)O)CN	PUW	n-(phosphonoacetyl)-putrescine
+CCCCn1c(nc2c1nc(nc2N)F)Cc3ccc4c(c3)OCO4	PUX	8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9h-purin-6-ylamine
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O	PUY	puromycin
+COc1ccc(c(c1)Cc2nc3c(nc(nc3n2CCCC#C)F)N)OC	PUZ	8-(2,5-dimethoxy-benzyl)-2-fluoro-9-pent-9h-purin-6-ylamine
+c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O)O	PV0	2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1h-isoindole-4,6-diol
+c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br	PV1	(5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2h-isoindol-2-yl)methanone
+c1ccc2c(c1)CN(C2)S(=O)(=O)c3ccc(cc3O)O	PV2	4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol
+CCCc1ccc(c(c1)O)Oc2ccccc2	PV4	2-phenoxy-5-propyl-phenol
+Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(cc(c5c4CCO5)C#N)F	PV5	5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
+C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(cc3)C(=O)O)CC(=O)Nc4nccs4	PV7	4-{[(1r)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
+c1cc2c(cc1O)CN(C2)S(=O)(=O)c3ccc(cc3O)O	PV8	4-[(5-hydroxy-1,3-dihydro-2h-isoindol-2-yl)sulfonyl]benzene-1,3-diol
+CC(C)[C@H](N)P(=O)(O)O	PVA	1-amino-2-methyl-propylphosphonic acid
+CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O	PVB	purvalanol b
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@H](/C(=C(\C(=O)O)/O)/O)O)O	PVC	(2e,4r,5s)-2,3,4,5-tetrahydroxy-6-(palmitoyloxy)hex-2-enoic acid
+c1c2cc(c(cc2[n+]3c(c1NC(=O)CCC(=O)O)NCC[C@H]3C(=O)O)O)O	PVE	(1s)-1-carboxy-5-[(3-carboxypropanoyl)amino]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium
+CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	PVG	phycoviolobilin, green light-absorbing form
+COC(=O)[C@H](Cc1c[nH]c[nH+]1)N	PVH	histidine-methyl-ester
+C[C@]1(c2cc(c(cc2CCN1)OC[C@@H]3CCCCO3)Oc4ccc(c(c4)F)C(=O)O)CC(=O)Nc5nccs5	PVJ	2-fluoro-4-{[(1r)-1-methyl-6-{[(2s)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
+C1C2=C(CO1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	PVK	(s)-1-(2'-amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1h,3h)-dione
+CC(=O)C=O	PVL	pyruvoyl group
+CC1=CC(=NN(C1=O)c2ccc(cc2)OC)c3cn(nn3)CCOc4cc5c(cc4Oc6ccc(c(c6)F)C(=O)O)[C@@](NCC5)(C)CC(=O)Nc7nccs7	PVM	2-fluoro-4-{[(1r)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1h-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
+CCC1=C(C(=O)N[C@@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	PVN	phycoviolobilin
+CC(C(=O)O)(O)O	PVO	2,2-bis(oxidanyl)propanoic acid
+Cc1c(c(nc(n1)c2ccccn2)N3CCN(CC3)CCO)Cl	PVP	2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol
+C1C2=C(CN1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	PVQ	(s)-1-[2'-amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1h,3h)-dione
+C=CS(=O)(=O)c1ccccc1	PVS	(ethenylsulfonyl)benzene
+c1cc(cnc1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F	PVT	5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
+C[C@]1(c2cc(c(cc2CCN1)OC)OC)CC(=O)Nc3nccs3	PVV	2-[(1r)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-n-(1,3-thiazol-2-yl)acetamide
+COCCN1c2c([nH]cn2)C(=O)NC1=S	PVW	3-(2-methoxyethyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one
+COc1cc2c(c3c1C4=C(C(=O)C=C4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O	PVX	n-(2-amino-5-{formyl[(6as,8r,9r,9ar)-9-hydroxy-4-methoxy-1,11-dioxo-1,6a,8,9,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosylamine
+CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+](C)C)C=C3Oc4c2ccc(c4)N(C)C)C(=O)O	PVY	9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-n,n-dimethyl-3h-xanthen-3-iminium
+CCCCCCCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O	PVZ	[1-hydroxy-2-(1-nonyl-1h-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
+c1ccc(cc1)Oc2c(ccc(c2F)C[NH3+])F	PW1	[2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium
+COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)NCC(=O)O)O	PW2	2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
+CC(=O)N1CCNC(=O)C1	PW3	4-acetyl-piperazin-2-one
+Cc1cc(nc(c1Br)C)NC(=O)CCC(=O)O	PW5	4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid
+c1cnc(nc1C(F)(F)F)N	PW7	4-(trifluoromethyl)pyrimidin-2-amine
+c1cc2cnc(cc2c(c1)Br)NC(=O)CCC(=O)O	PW8	4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid
+c1cc2c(cc1F)N=CNC2=O	PWA	7-fluoroquinazolin-4(3h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)S)O[C@H]([C@@H]5F)n6cnc7c6ncnc7[NH3+])O)F)[NH3+]	PWB	3',3'-c-[2'fdamp-2'fdam(ps)]
+c1c[nH]c2c1cc(cn2)F	PWD	5-fluoro-1h-pyrrolo[2,3-b]pyridine
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O	PWE	(2r)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1s,2s,3s,4s,5s,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate
+COc1cc(ccc1O)/C=C/C(=O)OCCc2ccccc2	PWF	2-phenylethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
+c1cc(c2nnc(n2c1)C(F)F)C(F)(F)F	PWG	3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine
+CC(=CCOC(=O)/C=C/c1ccc(c(c1)O)O)C	PWH	3-methylbut-2-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
+c1cn2cc(c(c(c2n1)Cl)C#N)C(F)(F)F	PWJ	8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile
+C[C@H](Cc1ccc(c(c1)OC)O)[C@H](C)Cc2ccc(c(c2)OC)O	PWK	4,4'-[(2r,3r)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol)
+c1cc2c(c(c1)F)C(=O)NC=N2	PWM	5-fluoroquinazolin-4(3h)-one
+c1ccc(c(c1)/C=N/NC(=O)CCC=O)C(=O)O	PWN	2-[(~{e})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid
+c1cc2c(cc1F)C(=O)NC=N2	PWP	6-fluoroquinazolin-4(3h)-one
+c1cc(ccc1/C=N/NC(=O)CCC=O)C(=O)O	PWQ	4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid
+CN1C(=O)C=C(N=C1SC)C(F)(F)F	PWS	3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3h)-one
+c1ccc(c(c1)CNNC(=O)CCCC=O)C(=O)O	PWT	2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid
+Cc1ncc(n1C)c2ccc(cc2)Nc3cc4c(cc(n4C(=O)OC(C)C)c5cnn(c5)C)cn3	PWU	isopropyl 6-((4-(1,2-dimethyl-1h-imidazol-5-yl)phenyl)amino)-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate
+C[C@@H](C1=Cc2cc(ccc2NC1=O)Cl)NC3=CC=C(N(C3=O)C)C#N	PWV	5-{[(1s)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
+c1cc(ccc1/C=N/NC(=O)CCCC=O)C(=O)O	PWW	4-[[(~{e})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid
+COc1ccc2cc(ccc2c1)CC(=O)O	PWY	(6-methoxynaphthalen-2-yl)acetic acid
+CCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@H]([C@@H]1C/C=C/CCCC(=O)O)OC2)O	PWZ	(5e)-7-{(1r,4s,5s,6r)-5-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid
+[H]/N=C/1\C(=CO)C2=Nc3c(cc(c(c3OC2=C(C1=O)C)C)N)C=O	PX1	(1z)-7-amino-1-(hydroxymethylene)-2-imino-4,6-dimethyl-3-oxo-2,3-dihydro-1h-phenoxazine-9-carbaldehyde
+CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCC	PX2	1,2-dilauroyl-sn-glycero-3-phosphate
+COc1ccc(cc1)CNC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4	PX3	5-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	PX4	1,2-dimyristoyl-sn-glycero-3-phosphocholine
+c1ccc2c(c1)nc(s2)C3(C=CC(=O)C=C3)O	PX5	4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCC	PX6	1,2-dipalmitoyl-sn-glycero-3-phosphate
+CN1c2ccccc2S(=O)(=O)NC1=O	PX7	4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC	PX8	1,2-distearoyl-sn-glycero-3-phosphate
+CCCCOc1ccc(cc1)OCCCN2CCOCC2	PX9	pramocaine
+Cc1cnc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O	PXA	2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-3-oxo(8-aza)phenoxazine
+CCC(=O)NS(=O)(=O)c1ccc(cc1)c2c(onc2c3ccccc3)C	PXB	parecoxib
+c1cc(c2c(c1)nc3c(cccc3n2)C(=O)O)C(=O)O	PXC	phenazine-1,6-dicarboxylic acid
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c3c(cccc3OCC(F)F)C(F)(F)F)OC	PXD	2-(2,2-difluoroethoxy)-n-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
+CC1=CC(=O)C(=CC1=NO)C(C)C	PXE	2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime
+Cc1cc(c(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O)F	PXF	2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-8-fluoro-3-oxophenoxazine
+Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O	PXG	3-[o-phosphonopyridoxyl]--amino-benzoic acid
+CC1([C@@H](N[C@H](S1)[C@H](C=O)[C@@H](CCc2cccs2)O)C(=O)O)C	PXH	(2~{r},4~{s})-5,5-dimethyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid
+CC[C@@H]1[C@@H](\C=C\C(=O)[C@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]2[C@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C	PXI	4-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-12-ethyl-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione
+c1cc(c(c(c1)O)O)C(=O)NCCCCCCNC(=O)c2cccc(c2O)O	PXJ	n,n'-hexane-1,4-diylbis(2,3-dihydroxybenzamide)
+CC(C)(C)C#CCc1c[nH]c2c1scn2	PXK	6-(4,4-dimethylpent-2-ynyl)-4~{h}-pyrrolo[2,3-d][1,3]thiazole
+Cc1c(c(c(cn1)CO)C=O)O	PXL	3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde
+Cc1c(c(c(cn1)CO)CN)O	PXM	4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
+C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O	PXN	(2s)-1-[3-{[(2r)-2-hydroxypropyl]oxy}-2,2-bis({[(2r)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol
+CC\C=N/O	PXO	(1z)-propanal oxime
+Cc1c(c(c(cn1)COP(=O)(O)O)CO)O	PXP	pyridoxine-5'-phosphate
+CC[C@@H]1[C@H](C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	PXQ	3-[5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCC	PXS	(2s)-propane-1,2-diyl dihexadecanoate
+C[C@@H]/1C[C@]2(CC[C@@H](O2)[C@]34CC[C@](O3)(CC(O4)[C@@H]5C(=O)C[C@@](O5)([C@H]([C@@H]6CC[C@]7(O6)CCC[C@H](O7)[C@H](C(=O)O[C@@H]8C[C@H](O[C@@H]8\C=C\C(=C1)\C)[C@@]9(C(=C(CCO9)C)O)O)C)O)C)C)C	PXT	pectenotoxin-2
+C1C[C@](NC1)(C(=O)O)O	PXU	2-hydroxy-l-proline
+CC(=O)Nc1cc2cccnc2c3c1cccn3	PXX	n-1,10-phenanthrolin-5-ylacetamide
+Cc1ccc(cc1)C	PXY	para-xylene
+Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O	PXZ	2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-phenoxazin-3-one
+C[C@@H]([C@@](N)(O)[O-])O	PY0	(1s,2s)-1-amino-1,2-dihydroxypropan-1-olate
+c1ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4	PY1	4-(3-pyridin-2-yl-1h-pyrazol-4-yl)quinoline
+c1cc(cnc1)CS	PY2	3-(mercaptomethylene)pyridine
+CC[C@@H](C)NC(=O)c1cc(cc(c1)N)C2=CN=C(C(=O)N2CC(=O)NCc3ccc(cc3C(=O)Nc4ccncc4)C(=N)N)NC(C)C	PY3	5-[amino(imino)methyl]-2-[({[6-[3-amino-5-({[(1r)-1-methylpropyl]amino}carbonyl)phenyl]-3-(isopropylamino)-2-oxopyrazin-1(2h)-yl]acetyl}amino)methyl]-n-pyridin-4-ylbenzamide
+CC[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	PY4	2-[o-phosphonopyridoxyl]-amino- butyric acid
+CCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	PY5	2-[o-phosphonopyridoxyl]-amino-pentanoic acid
+CCCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	PY6	2-[o-phosphonopyridoxyl]-amino-hexanoic acid
+c1cnccc1CO	PY7	pyridin-4-ylmethanol
+c1cc2cc(c1)S(=O)(=O)NCCCNc3c(cnc(n3)N2)Br	PY8	6-bromo-13-thia-2,4,8,12,19-pentaazatricyclo[12.3.1.1~3,7~]nonadeca-1(18),3(19),4,6,14,16-hexaene 13,13-dioxide
+Cc1ccccc1[C@H]2CCCN2C(=O)c3ccc(cc3O)O	PY9	4-{[(2r)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
+c1cc2ccc3ccc(nc3c2nc1)C[C@@H](C(=O)O)N	PYA	3-(1,10-phenanthrol-2-yl)-l-alanine
+Cn1cc(cc1C(=O)O)N	PYB	4-amino-(1-methylpyrrole)-2-carboxylic acid
+c1cc([nH]c1)C(=O)[O-]	PYC	pyrrole-2-carboxylate
+Cc1cnc(nc1N)C	PYD	2,5-dimethyl-pyrimidin-4-ylamine
+C1CCOCC1	PYE	tetrahydropyran
+c1cc(cnc1)CO	PYF	3-pyridinylcarbinol
+c1cc(c(c(c1)O)O)O	PYG	benzene-1,2,3-triol
+C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N	PYH	n~6~-{[(2r,3r)-3-methyl-3,4-dihydro-2h-pyrrol-2-yl]carbonyl}-l-lysine
+Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)OP(=O)(O)O	PYI	1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridinium
+CCc1ccccc1	PYJ	phenylethane
+C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N	PYL	pyrrolysine
+CC(=O)C(=O)N	PYM	pyruvamide
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCC4)NC(=O)CCN5CCCC5	PYN	3-pyrrolidin-1-yl-n-[6-(3-pyrrolidin-1-yl-propionylamino)-acridin-3-yl]-propionamide
+C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	PYO	1-(beta-d-ribofuranosyl)-pyrimidin-2-one-5'-phosphate
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O	PYP	2'-deoxyribofuranosylpyrene-5'-monophosphate
+c1cc2c3c(c1)CCN3C(=O)CC2	PYQ	pyroquilon
+CC(=O)C(=O)O	PYR	pyruvic acid
+c1ccnc(c1)S	PYS	2-pyridinethiol
+C=C(C(=O)N)N	PYT	2-aminoprop-2-enamide
+c1ccn(c1)C(=O)c2c(cc(cc2O)O)O	PYU	2-(1h-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol
+c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3	PYV	4-bromo-n-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
+CC/C(=C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C	PYW	pyridomycin
+Cc1c(c(c(cn1)CSSC[C@@H](C(=O)O)N)CN)O	PYX	s-[s-thiopyridoxaminyl]cysteine
+c1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	PYY	d-ribofuranosyl-benzene-5'-monophosphate
+c1c(cn[nH]1)I	PYZ	4-iodopyrazole
+COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COC4=CC5C(=CC=CN5CCCO)C=C4	PZ1	(6r)-6-({[1-(3-hydroxypropyl)-1,7-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one
+Cc1cc(cc(c1)Oc2ccc(cc2Br)Cc3c4ccnnc4[nH]n3)C#N	PZ2	3-[2-bromo-4-(1h-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile
+Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)OC(=O)NCc7ccccc7	PZ3	4-({(3r)-7-(5-formylfuran-2-yl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate
+CNc1c(cnc(n1)c2c[nH]c3c2cncn3)F	PZ4	5-fluoro-n-methyl-2-(7h-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine
+C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N	PZ5	5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine
+Cc1cc(c(n1c2cccc(c2)Cl)C)C(=O)O	PZ8	1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
+c1cnc(cn1)C(=O)N	PZA	pyrazine-2-carboxamide
+c1ccc(cc1)Oc2c[nH]nc2c3ccc(cc3O)O	PZB	4-(4-phenoxy-1h-pyrazol-3-yl)benzene-1,3-diol
+CC(=O)N[C@@H]1CC=C(O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)NC(=O)[C@H](CCN)O)N)CNCCO	PZC	(2s)-n-[(1r,2s,3s,4r,5s)-4-{[(2s,3r)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2h-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide
+COc1cc2c(cc1OC)NC[C@@H]3CC(=CN3C2=O)c4ccc5ccccc5c4	PZD	(11as)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
+C1CNCCN1	PZE	piperazine
+COc1ccc(cn1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F	PZF	(3r,4s)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
+Cc1c(c[nH]n1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	PZG	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{h}-pyrazol-4-yl)phosphinic acid
+c1cc(ccc1CN)Br	PZH	1-(4-bromophenyl)methanamine
+C1CC(=O)N(C1)CC(=O)N	PZI	2-(2-oxopyrrolidin-1-yl)acetamide
+c1ccc(c(c1)N2CCN(CC2)[C@H]3CS(=O)(=O)C[C@@H]3O)Cl	PZJ	(3r,4r)-4-[4-(2-chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
+c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)C#N	PZK	4-azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
+c1cc(c(c(c1Cc2c3ccnnc3[nH]n2)F)Oc4cc(cc(c4)Cl)C#N)Br	PZL	3-[6-bromo-2-fluoro-3-(1h-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile
+COc1ccc(cc1)CN	PZM	1-(4-methoxyphenyl)methanamine
+CCCCCC[N@](C)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)N1C=C(N=C(C1=O)NCc2c(non2)C)C(C)(C)C	PZN	3-(2-{5-tert-butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2h-pyrazin-1-yl}-butyrylamino)-5-(hexyl-methyl-amino)-4-oxo-pentanoic acid anion
+c1c[nH]nc1	PZO	pyrazole
+[H]/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	PZP	[5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate
+c1ccc2c(c1)CCN3[C@H]2CN(CC3=O)C(=O)C4CCCCC4	PZQ	praziquantel
+c1cncc2c1[nH]nc2	PZR	1h-pyrazolo[4,3-c]pyridine
+CCCC/C=C/C1=C(C(=O)[C@@]2(O1)[C@H]([C@@](NC2=O)(C(=O)c3ccccc3)OC)O)C	PZS	(5~{s},8~{s},9~{r})-2-[(~{e})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
+C[C@@H]1[C@H](C[C@H]([C@H](O1)O)O)O	PZU	alpha-d-paratopyranose
+CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F	PZV	1-(2-fluorobenzene-1-carbonyl)-n-methyl-2,3-dihydro-1h-indole-5-sulfonamide
+Cc1cc2c(cc1NC3CNC3)N4[C@@H](C(=O)NN=C4CO2)C	PZW	(1r)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
+Cc1cc(n[nH]1)C(=O)OCc2cccnc2	PZX	pyridin-3-ylmethyl 5-methyl-1h-pyrazole-3-carboxylate
+CC(C)(C)c1ccc(cc1)CN2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCc4ccccc4	PZY	2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid
+CN(C)Cc1c[nH]c2c1cccc2CCCO	PZZ	3-{3-[(dimethylamino)methyl]-1h-indol-7-yl}propan-1-ol
+c1ccc(cc1)C[C@@H](CCN[C@@H](Cc2ccccc2)C(=O)O)N	Q00	n-[(3s)-3-amino-4-phenylbutyl]-l-phenylalanine
+CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4	Q01	2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid
+c1ccc(cc1)[C@H](N)P(=O)(O)O	Q02	[(r)-amino(phenyl)methyl]phosphonic acid
+C1CCC(CC1)[C@H](N)P(=O)(O)O	Q03	[(r)-amino(cyclohexyl)methyl]phosphonic acid
+C1CCC(CC1)C[C@H](N)P(=O)(O)O	Q04	[(1r)-1-amino-2-cyclohexylethyl]phosphonic acid
+Cc1cc(nc(c1)N)COc2cccc(c2)CNCCc3cccc(c3)F	Q05	6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine
+C1CCC(C1)CC[C@H](N)P(=O)(O)O	Q06	[(1r)-1-amino-3-cyclopentylpropyl]phosphonic acid
+CCC[C@H](C)[C@H](N)P(=O)(O)O	Q07	[(1r,2s)-1-amino-2-methylpentyl]phosphonic acid
+CCCC(CCC)[C@H](N)P(=O)(O)O	Q08	[(1r)-1-amino-2-propylpentyl]phosphonic acid
+c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)Cc4ccc(cc4)F	Q0A	2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid
+CCOCCCNC(=O)c1c2c(nc3ccccc3n2)n(c1N)c4ccccc4Cl	Q0B	2-amino-1-(2-chlorophenyl)-n-(3-ethoxypropyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide
+c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3	Q0D	2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid
+c1cc(cnc1)Cn2cc(cn2)c3c(c(ncn3)N)C#N	Q0E	4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile
+c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)c4ccccc4	Q0G	5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid
+c1cc(c(cc1Cn2cc(cn2)c3c(c(ncn3)N)C#N)F)F	Q0H	4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
+Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccncc4	Q0J	2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
+Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N	Q0K	2-amino-5-(p-tolyl)-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+CNC(=O)c1cc(cc(c1O)NS(=O)(=O)c2cc(cc(c2O)Cl)Br)C3(CCC3)C#N	Q0M	3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-n-methylbenzamide
+c1c(cn(n1)CCN2CCOCC2)c3c(c(ncn3)N)C#N	Q0N	4-azanyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CC(=O)c2ccccc2N)C(=O)O)O	Q0P	(2s)-4-(2-aminophenyl)-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid
+C[C@H](c1ccccc1)n2cc(cn2)c3c(c(ncn3)N)C#N	Q0Q	4-azanyl-6-[1-[(1~{r})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
+CS(=O)(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)NS(=O)(=O)c2cc(ccc2O)Br	Q0S	5-bromo-2-hydroxy-n-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide
+CCOC(=O)Cn1cc(cn1)c2c(c(ncn2)N)C#N	Q0T	ethyl 2-[4-(6-azanyl-5-cyano-pyrimidin-4-yl)pyrazol-1-yl]ethanoate
+CCn1cc(cn1)c2c(c(ncn2)N)C#N	Q0W	4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile
+COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)Cl)Br	Q0Y	5-bromo-n-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide
+c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)Cl	Q0Z	5-chloranyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine
+Cc1cc(nc(c1)N)COc2cccc(c2)OCCCN	Q10	6-{[3-(3-aminopropoxy)phenoxy]methyl}-4-methylpyridin-2-amine
+COc1ccccc1c2ccc3c(c2)nc(nc3N)N	Q11	7-(2-methoxyphenyl)quinazoline-2,4-diamine
+Cc1cc2c(cc1c3ccc(c(c3)OC)OC)nc(nc2N)N	Q12	7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
+Cc1cc(nc(c1)N)COC[C@@H]([C@H](C)OCc2cc(cc(n2)N)C)N	Q13	6,6'-{[(2s,3s)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)COCC[C@@H](CN)OCc2cc(cc(n2)N)C	Q14	6-[({(2s)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3	Q15	4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine
+Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C	Q16	6-((((3s, 5r)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
+c1ccc2c(c1)c(nc(n2)c3ccccc3O)NCCCN	Q17	2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol
+c1ccc2c(c1)c(c[nH]2)/C=C\3/C(=O)c4ccc(c(c4O3)CN5CCCCCC5)O	Q18	(2z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1h-indol-3-ylmethylidene)-1-benzofuran-3(2h)-one
+Cc1cc2c(cc1c3cccc(c3)C(=O)C)nc(nc2N)N	Q19	1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone
+CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cccc4c3ccnc4N	Q1A	1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
+c1cc2c(cc1OC(F)(F)F)CC(=O)N2	Q1B	5-(trifluoromethyloxy)-1,3-dihydroindol-2-one
+B(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3[C@@H]4C[C@@H]5[C@H]3CO[C@@H]5OC4)O)CC(C)C)(O)O	Q1D	{4-[{(2r,3s)-3-[({[(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid
+CNC(=O)CCS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2	Q1E	~{n}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide
+c1cc(c(cc1C2(CCC2)C#N)NS(=O)(=O)c3cc(ccc3O)Br)O	Q1G	5-bromo-n-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide
+c1cc(oc1)Cn2c3ccc(cc3nc2N)C(F)(F)F	Q1H	1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine
+COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)c3ccccc3)Br	Q1J	5-bromo-n-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide
+CS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2	Q1K	6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
+COc1ccc(cc1S(=O)(=O)Nc2cc(cc(c2O)C(=O)O)Cl)Br	Q1M	3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid
+[H]/N=C\CNC(=O)[C@H](CS(=O)(=O)N1CCN(CC1)c2ccccn2)NC(=O)Cc3cc(no3)C	Q1N	(2~{r})-~{n}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide
+c1cc(c(cc1Br)S(=O)(=O)Nc2cc(c(c(c2O)C(=O)O)F)C3CC3)O	Q1P	3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid
+c1ccc(cc1)c2ncc3c(n2)CC[C@H](C3)N	Q1Q	(6~{r})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine
+CN1CCN(CC1)c2ccc(cc2Nc3c4ccccc4ccn3)[N+](=O)[O-]	Q1S	n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N	Q1T	3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile
+c1c[n+](c(n1P(=O)(O)O[C@H]2CO[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)N)P(=O)(O)O[C@H]5CO[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N	Q1V	2-amino-3-[(r)-{[(3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(s)-{[(3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1h-imidazol-3-ium
+CC(C)(CC(=O)C(=O)O)C(=O)O	Q1W	2,2-dimethyl-4-oxidanylidene-pentanedioic acid
+c1ccc2c(c1)c([nH]n2)CNC(=O)c3cc(ccc3F)[C@@H]4CCNC[C@H]4COc5ccc6c(c5)OCO6	Q1Y	5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(2h-indazol-3-yl)methyl]benzamide
+C[C@H](CC(=O)O)C(=O)C(=O)O	Q1Z	(3~{r})-3-methyl-2-oxidanylidene-pentanedioic acid
+CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)C=O	Q20	3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde
+C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Oc4cccc5c4cccc5	Q21	(2s)-2-(naphthalen-1-yloxy)-n-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide
+c1cc2c(cc1O)C=CC3=CCC=C[C@@H]3N2Cc4cnc5c(n4)c(nc(n5)N)N	Q22	(4as)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2h-dibenzo[b,f]azepin-8-ol
+c1ccc(cc1)S(=O)(=O)O[C@H]2CS(=O)(=O)C=C2	Q23	(3r)-1,1-dioxido-2,3-dihydrothiophen-3-yl benzenesulfonate
+c1ccc2c(c1)c(nc(n2)N)N	Q24	quinazoline-2,4-diamine
+CCCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl	Q25	6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
+CCOc1ccc(cc1c2ccc3c(c2)nc(nc3N)N)c4cccc(c4)NS(=O)(=O)C	Q26	n-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide
+CCOc1ccc2ccccc2c1c3cc4c(cc3C)c(nc(n4)N)N	Q27	7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine
+Cc1cccc2c1N=C(NC2=O)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5	Q28	4-[3-(8-methyl-4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-n-(quinolin-8-yl)benzamide
+c1cc(cc(c1)S(=O)(=O)F)CN2CCC[C@@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6	Q2A	3-{[(3s)-3-({6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride
+c1cc(cc(c1)S(=O)(=O)F)CN2CCC[C@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6	Q2D	3-{[(3r)-3-({6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride
+CSc1c(c2ccccc2[nH]1)C[C@@H](C=O)N	Q2E	(2~{s})-2-azanyl-3-(2-methylsulfanyl-1~{h}-indol-3-yl)propanal
+CN(c1c(cccn1)/C=N/c2c(cnc(n2)Nc3ccccc3)C(F)(F)F)S(=O)(=O)C	Q2H	~{n}-methyl-~{n}-[3-[(~{e})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide
+c1cc(cc(c1)S(=O)O)CNCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5	Q2J	3-{[(3-{6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid
+c1cc(sc1)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	Q2M	5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine
+c1ccnc(c1)c2csc(n2)NC(=O)Cc3ccc(cc3)F	Q2N	2-(4-fluorophenyl)-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide
+c1cc(cc(c1)Cl)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	Q2P	5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine
+COC(=O)c1ccccc1c2cccc(c2)C(=O)O	Q2R	3-(2-methoxycarbonylphenyl)benzoic acid
+c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cc[nH]3	Q2S	3-(1~{h}-indol-5-yl)benzoic acid
+CCCCOc1cc(cnc1)c2nnc3n2c4cc(ccc4nc3C)CN5CCOCC5	Q2T	1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline
+c1ccc(cc1)C(CCN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)c6ccccc6	Q2V	5'-([(3s)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine
+CC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccc(s1)CNC(=O)c2ccc(cc2)Nc3cnc4ccccc4n3	Q2Y	4-oxo-3-[2-(5-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-thiophen-2-yl)-acetylamino]-pentanoic acid
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCS(=O)(=O)N	Q2Z	carborane ethyl-sulfonamide
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]cn3	Q31	5-[(2s)-2-[[2-(1h-imidazol-4-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid
+c1cc(ccc1CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Cl	Q34	5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine
+CC[C@H](c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC	Q35	2-[4-[5-[(1~{r})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid
+B123B45B167B289B31B823B966B744B622[C@]45C321CCCCCS(=O)(=O)N	Q38	carborane nido-pentyl-sulfonamide
+Cc1nc(c(s1)CCC(=O)N2CCC(CC2)C(=O)N)c3cccs3	Q39	1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide
+Cc1ccc(c(n1)C)c2cnc(n3c2c(nc3)S(=O)(=O)C)NCc4c(ccc5c4CCO5)F	Q3A	8-(2,6-dimethylpyridin-3-yl)-n-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine
+COc1ccc(cc1)NC(=O)Nc2cccc(c2)c3c(n(cn3)C[C@@H]4CCCO4)c5nc6c(ncnc6s5)N	Q3B	1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2s)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea
+c1ccc2c(c1)cc(cn2)C(=O)O	Q3C	quinoline-3-carboxylic acid
+CS(=O)(=O)c1c2c(cnc(n2cn1)NCc3c(ccc4c3CCO4)F)c5ccc(nc5)C6CC6	Q3D	8-(6-cyclopropylpyridin-3-yl)-n-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCS(=O)(=O)N	Q3E	carborane propyl-sulfonamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC	Q3G	o-[(r)-[(2s)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl]-d-serine
+B123B45B167B289B31B823B966B744B622C45C321CCCCCCS(=O)(=O)N	Q3H	carborane nido-hexyl-sulfonamide
+[B-]1(c2cc(ccc2C=C3[N+]1=C(N(C3=O)C)C)N(CC)CC)(F)F	Q3J	12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCCS(=O)(=O)N	Q3K	carborane closo-hexyl-sulfonamide
+CC(=O)N[C@H]1[C@H](C[C@@H]([C@@H]([C@@H]1O)O)CO)SC	Q3M	methyl 2-(acetylamino)-2-deoxy-1-thio-alpha-d-galactopyranose
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCS(=O)(=O)N	Q3N	carborane closo-pentyl-sulfonamide
+C(CCNC(=O)CN)C[C@@H](C(=O)O)N	Q3P	n~6~-glycyl-l-lysine
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCS(=O)(=O)N	Q3Q	carborane closo-butyl-sulfonamide
+C[C@@H]([C@H](C(=O)O)N)N	Q3S	(2r,3s)-2,3-diaminobutanoic acid
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CS(=O)(=O)N	Q3T	carborane methyl-sulfonamide
+B123B45B167B289B31B823B966B744B622C45C321CCCCS(=O)(=O)N	Q3W	carborane nido-butyl-sulfonamide
+c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)N4CC[C@H]([C@@H](C4)O)C(=O)O)F)C5CC5	Q3Y	(3s,4r)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1h-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid
+Cc1cc(ccc1c2cc(cc3c2CCN(C3=O)Cc4cc(cc(c4)OC)OC)C[N]5=C(N(C=C5)C)N)F	Q41	7-[(2-azanyl-3-methyl-imidazol-1-yl)methyl]-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoranyl-2-methyl-phenyl)-3,4-dihydroisoquinolin-1-one
+C1CC[C@H]2[C@H](C1)C[C@H](N2)C(=O)O	Q42	(2s,3ar,7as)-2,3,3a,4,5,6,7,7a-octahydro-1h-indole-2-carboxylic acid
+CC(=O)NC1=NC(=O)c2c([nH]cn2)N1	Q44	n-(6-oxo-6,9-dihydro-3h-purin-2-yl)acetamide
+S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25	Q46	fe4 h s5
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)Br)O)O	Q47	3-bromo dicyclotyrosine
+C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC	Q4A	n-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
+B123B45B167B289B31B823B966B744B622[C@@]45C321CCCCCS(=O)(=O)N	Q4B	carborane nido-pentyl-sulfonamide
+CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OCCN7CC(C7)(F)F	Q4D	(4s,7ar,9ar,10s,11e,18r)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-n-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide
+CC(C)(C)c1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl	Q4E	3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one
+c1cc(cc(c1)C(=O)O)c2cccc(c2)F	Q4G	3-(3-fluorophenyl)benzoic acid
+c1c(c(ncn1)N)C#N	Q4H	4-azanylpyrimidine-5-carbonitrile
+CC(C)COc1cc(nc2c1cccc2NC(=O)NCCCCOc3cccc(c3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C(=O)Nc5cccc6c5nc(cc6O)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)Nc9cccc1c9nc(cc1OCC(=O)O)C(=O)O	Q4I	8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid
+Cc1cc(n[nH]1)Nc2cc(nc(n2)C3CCC(CC3)(C(=O)N[C@@H](C)c4ccc(nc4)n5cc(cn5)F)OC)C	Q4J	pralsetinib
+CCOC(=O)[C@H]([C@@H](c1ccc(cn1)Br)O)F	Q4K	ethyl (2~{s},3~{r})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate
+COc1ccc2c(c1)cc([nH]2)C(=O)N3C[C@H](c4c3ccc5c4cc[nH]5)CCl	Q4M	[(1s)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2h)-yl](5-methoxy-1h-indol-2-yl)methanone
+c1cc2c(cc1F)cc([nH]2)C(=O)N3C[C@H](c4c3ccc5c4cco5)CCl	Q4P	[(8s)-8-(chloromethyl)-7,8-dihydro-6h-furo[3,2-e]indol-6-yl](5-fluoro-1h-indol-2-yl)methanone
+CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C	Q4Q	n-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide
+CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OC	Q4S	(4s,7ar,9ar,10s,11e,18r)-6'-chloro-n-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide
+c1cc(c(c(c1)C(=O)Nc2ccc(cc2CC(=O)O)F)F)c3cc(c(cc3F)Cl)O[C@@H]4CCCNC4	Q4T	2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{r})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid
+CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)O)O)O	Q4V	(4s,7ar,9ar,10s,11e,18r)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid
+CC(C)C1NC(=CS1)CN2C=Nc3ccc(cc3C2=O)Cl	Q4W	6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
+CN1C/C=C/CCCC[N@@]2C[C@@]3(CCCc4c3ccc(c4)Cl)COc5c2cc(cc5)[C@](CC1=O)(C(=O)O)O	Q4Y	(4s,11e,17r)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'h,3h,5h,7h-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid
+CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)COS(=O)(=O)[O-])O)O	Q4Z	[(3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N	Q50	{(1s)-1-benzyl-4-[3-carbamoyl-1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-(s)-propylcarbamoyl]-2-oxo-5-phenyl-pentyl}-carbamic acid tert-butyl ester
+C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)[C@@H]1C)O	Q51	(4s,7ar,9ar,10s,11e,14s,15r)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione
+COc1ccc2c(n1)c(ccn2)CCN3CCC(CC3)NCc4ccc(cc4)Cl	Q52	~{n}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
+c1cc2c(cc1C(=O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5	Q54	(3s)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2h,2'h-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid
+C[C@]1(CNc2c1cc(cc2C#N)c3ccnc(n3)Nc4cccnc4OC)CO	Q55	4s/3694
+c1cc2c(cc1[C@H](C(=O)O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5	Q57	(2r)-[(3s)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2h,2'h-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid
+C[C@@]1(CNc2c1cc(cn2)c3ccnc(n3)Nc4ccc(cc4OC)C(=O)NC5CCOCC5)CO	Q58	desf-3r/4076
+Cc1csc(n1)NC(=O)C2CCN(CC2)C(=O)N(C)Cc3ccc(cc3)F	Q5A	n~1~-[(4-fluorophenyl)methyl]-n~1~-methyl-n~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@@](CC(=O)O)(C(=O)O)O)O	Q5B	(3s)-citryl-coenzyme a
+c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N	Q5D	4-cyano-n-cyclopropyl-n-[(thiophen-2-yl)methyl]benzamide
+C(CCC(=O)O)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	Q5E	1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione
+Cc1cc(ccc1OCCNC(=O)c2cccs2)Cl	Q5F	n-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide
+c1ccc2c(c1)N(C[C@@H](O2)C(=O)N)C(=O)CSCCC(=O)O	Q5G	3-({2-[(2r)-2-carbamoyl-2,3-dihydro-4h-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid
+Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3)CN	Q5J	4-(aminomethyl)-n-(3-cyano-4-methyl-1h-indol-7-yl)benzene-1-sulfonamide
+c1ccc2c(c1)cccc2C(=O)CCC(=O)O	Q5M	4-(naphthalen-1-yl)-4-oxobutanoic acid
+CC(=O)NC[C@@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)OCn4cc(nn4)CNC(=O)[C@H](CCCCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O	Q5N	bcv-l6
+Cc1ccc2c(c1)c3c([nH]2)c(cc(c3Br)Br)O	Q5Q	3,6-dibromo-1-(hydroxymethyl)carbazole
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)C	Q5S	2-(acetylamino)-2-deoxy-1-o-[(s)-hydroxy{[(s)-hydroxy{[(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy}phosphoryl]oxy}phosphoryl]-alpha-d-glucopyranose
+CC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)CCS(=O)(=O)C)C(C)(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1[C@@H]2[C@H](C=S1)NC(=O)N2	Q5T	(4~{s})-4-[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{s},4~{r},6~{a}~{r})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{h}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide
+COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2c3ccccc3c(cn2)N(CC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC	Q5V	n-[(4-methoxyphenyl)sulfonyl]-n-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine
+C/C(=C/c1ccc2cc(ccc2c1)C#C)/C(=O)OC	Q5W	methyl (~{z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate
+COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC	Q5Y	n-[(4-methoxyphenyl)sulfonyl]-n-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine
+Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCNCC4	Q5Z	4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[V](=O)(O4)[O])N=C(NC2=O)N	Q61	guanosine-5'-monophosphate-2',3'-vanadate
+C#CCNC(=O)[C@H](CCCCNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O	Q62	~{n}-[(5~{s})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-6-(prop-2-ynylamino)hexyl]-2,3-bis(oxidanyl)benzamide
+CC(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N	Q64	(2z)-2-benzylidene-3-oxo-n-(4-sulfamoylphenyl)butanamide
+B1(n2c(cc(c2C(C3=C(C[C@H](N31)C)C)CCCCc4cn(nn4)C[C@@H]5[C@H]([C@@H]([C@H]([C@H]6[C@@H]5O6)O)O)O)C)C)(F)F	Q65	(1~{s},2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[4-[4-[(12~{r})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
+C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Nc4cccc(c4Cl)Cl	Q67	n~2~-(2,3-dichlorophenyl)-n-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]-l-alaninamide
+CCCCCCN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1Cn2cc(nn2)CNC(=O)C)O)O)O	Q68	~{n}-[[1-[[(1~{s},2~{r},3~{r},4~{s},6~{s})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide
+CC(=O)/C(=C/c1ccc(cc1)OC)/C(=O)Nc2ccc(cc2)S(=O)(=O)N	Q6A	(2z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-n-(4-sulfamoylphenyl)butanamide
+C[C@H]1C/C(=C\C[C@@H](OC(=O)CCC[C@@H]1OC(=O)/C=C/C(=C/C(=C/C=C/C(=C/[C@@H]([C@H](C[C@H](C)O)O)O)/C)/C)/C)[C@@H](C)C/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O)O)/C)/C	Q6B	[(6~{s},7~{s},9~{z},12~{r})-12-[(~{z},2~{s},6~{r},7~{r},9~{r})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{e},4~{e},6~{e},8~{e},10~{e},12~{s},13~{s},15~{s})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate
+CC(=O)/C(=C/c1cccs1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N	Q6D	(2z)-3-oxo-n-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide
+CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc2cc(c(cn2)Cl)c3cnn4c3CC(C4)(C)C	Q6E	(1~{s},3~{r})-3-acetamido-~{n}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide
+CS(=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl	Q6F	n-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide
+CC(C)(COc1cc(c2c(cnn2c1)C#N)c3ccc(nc3)N4C[C@H]5C[C@@H](C4)N5Cc6ccc(nc6)OC)O	Q6G	selpercatinib
+c1cc(cc(c1)NC(=O)c2cc(ccc2[SeH])F)C(=O)N3CCOCC3	Q6H	5-fluoranyl-~{n}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@H]3CCC(=O)C4	Q6J	5alpha-dihydronandrolone
+CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc(n2)c3cn(c4c3cccc4)C	Q6K	~{n}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
+CC(CCCCCNCCCN)(O)O	Q6M	7-[(3-aminopropyl)amino]heptane-2,2-diol
+CC(C)c1cc(ccc1n2c(cc(n2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)c6c(cccc6OC)OC)C(=O)N(C)CCCN(C)C	Q6N	2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid
+COCC(CCCCCNCCCN)(O)O	Q6P	7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol
+COc1cccc(c1c2cc(nn2c3ccnc4c3ccc(c4)Cl)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O)OC	Q6Q	2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid
+[H]/N=C/1\N(C=CN1Cc2cc(cc(c2)C(=O)NCc3cc(cc(c3)OC)OC)c4ccc(cc4C)F)C	Q6S	n-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2e)-2-imino-3-methyl-2,3-dihydro-1h-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide
+c1cc(c2c(c1)OCO2)C(=O)O	Q6T	1,3-benzodioxole-4-carboxylic acid
+c1ccnc(c1)CNC(=O)CCc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6	Q6W	3-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-n-(pyridin-2-ylmethyl)propanamide
+Cc1c(cn2ccnc2c1CN3CCN([C@H](C3)C)C(=O)C4CCCC4)NC(=O)c5cnc(nc5)C	Q6Y	~{n}-[8-[[(3~{s})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide
+C[C@H]1CCC[C@H]([C@@H]1O)O	Q6Z	(1r,2r,3s)-3-methylcyclohexane-1,2-diol
+c1cc2c(cc1F)S(=O)(=O)NC(=O)N2	Q71	7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)/C(=N\[H])/N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)/N	Q72	(s)-4-(4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carbonyl)piperidine-1-carboximidamide
+c1cc2c(cn(c2nc1)CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F	Q74	2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1h-pyrrolo[2,3-b]pyridin-1-yl)acetic acid
+c1c(scn1)C[C@@H](C=O)N	Q75	2-amino-3-(thiazol-5-yl)propanoic acid
+Cc1cc(c2c(c1)S(=O)(=O)NC(=O)N2)C	Q77	5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione
+c1cscc1C[C@@H](C(=O)O)N	Q78	l-3-thienylalanine
+c1cc2c(c(c1)Cl)NC(=O)NS2(=O)=O	Q7A	5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione
+Cc1ccc(cc1)C[C@]2(C[C@H]2c3ccccc3)C(=O)O	Q7B	(1~{s},2~{s})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1	Q7G	2-{[(4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25r)-spirost-5-en-3-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranoside
+CN1CCCN(C(=O)COc2cc(ccc2O[C@H]3CCOC=C3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7H	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H](CCO)O)O	Q7J	1,4-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
+CN1CCCN(C(=O)COc2cc(ccc2OC3CCOCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7K	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+c1ccc2c(c1)nc3c(c(n(c3n2)c4ccc(cc4)NC(=O)Nc5cccc(c5)C(F)(F)F)N)C(=O)N	Q7M	2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide
+COc1cccc(c1)CNC(=O)c2ccccc2[SeH]	Q7N	~{n}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCCO	Q7P	6-[(4-hydroxybutyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
+CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC	Q7Q	6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCO	Q7S	6-[(3-hydroxypropyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)CNC(=O)c2ccccc2[SeH]	Q7T	~{n}-(phenylmethyl)-2-selanyl-benzamide
+Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl	Q7U	1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea
+[B+](CCCCCNCCCN)(O)(O)O	Q7V	5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
+c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)[SeH]	Q7W	~{n}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide
+C(CCC(=O)CS)CCNCCCN	Q7Y	7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one
+CN1CCCN(C(=O)COc2cc(ccc2OCCOC)Nc3c4c(c[nH]c4ncn3)C1)C	Q7Z	6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+c1cc(ccc1CC[C@]2(OC[C@H](O2)CSc3ccc(cn3)C(F)(F)F)Cn4ccnc4)Cl	Q80	2-({[(2r,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H](C[C@@H](CO)O)O	Q81	1,3-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=NC#N)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O	Q82	{[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis(4-hydroxymethyl)methyl]-4,7-bis(phenylmethyl) -2h-1,3-diazepin-2-ylidene]cyanamide}
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCC[C@@H]([C@@H](CO)O)O	Q84	1,2-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
+COc1ccc(cc1)CNC(=O)c2ccccc2[SeH]	Q85	~{n}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide
+c1ccc(cc1)CCC(=O)Cn2cncn2	Q86	4-phenyl-1-(1h-1,2,4-triazol-1-yl)butan-2-one
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O	Q87	1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
+c1nc(c2c(n1)[nH]c(n2)N)N	Q88	9h-purine-6,8-diamine
+c1cc2cccnc2c(c1)N	Q8A	quinolin-8-amine
+CN1CCCN(C(=O)COc2cc(ccc2OCC(=O)NC3CCCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q8B	n-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide  
+c1cc2c(cc1C(=O)O)nnn2C3CCCCC3	Q8D	1-cyclohexyl-1h-benzotriazole-5-carboxylic acid
+COc1ccc(cn1)CNC(=O)c2ccccc2[SeH]	Q8E	~{n}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide
+c1cc2c(cc1C(=O)O)ncn2C3CCCCC3	Q8G	1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
+c1ccc(c(c1)C(=O)NCc2cccnc2)[SeH]	Q8H	~{n}-(pyridin-3-ylmethyl)-2-selanyl-benzamide
+CCN1CCN(CC1)C(=O)Nc2cc(ccn2)c3cn(c4c3ccnc4)C5CCOCC5	Q8J	4-ethyl-n-{4-[1-(oxan-4-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide
+c1cc-2cc(c1)C(=O)NCCN(/C=C/N(c3ccn4c(c2cn4)n3)CCO)C5CC5	Q8K	11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one  
+c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br	Q8M	5-bromo-3-chloro-n-(1-cyclopentyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
+CNC(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	Q8P	4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-n-methyl-1h-imidazole-2-carboxamide
+CN1CCNc2ccn3c(n2)c(cn3)-c4cccc(c4)C(=O)NCC1	Q8Q	11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one 
+Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	Q8S	5-bromo-3-chloro-n-(1-cyclopentyl-2-methyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
+CN1CCN(CC1)c2ccc3cc2OCC(=O)N(CCCN(Cc4c[nH]c5c4c(ncn5)N3)C)C	Q8T	11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
+CCOC(=O)/C(=C(/c1ccccc1)\N)/C#N	Q8V	ethyl (2z)-3-amino-2-cyano-3-phenylprop-2-enoate
+c1cc-2cc(c1)O/C=C/N(CCNc3ccn4c(c2cn4)n3)CCN5CCOCC5	Q8W	10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
+c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cccn3	Q92	3-quinolin-6-ylbenzoic acid
+CC(=O)Nc1nnc(s1)N[C@@H]2CCN(C2)c3nnc(s3)NC(=O)C	Q94	n-{5-[(3r)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCC)/c3ccc(cc3)O	Q97	4,4'-[(1z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol
+c1cc-2cc(c1)C(=O)NCCOCCNc3ccn4c(c2cn4)n3	Q98	11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
+CC(=O)Nc1nnc(s1)N[C@H]2CCN(C2)c3nnc(s3)NC(=O)C	Q9A	n-{5-[(3s)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+c1cc-2cc(c1)C(=O)NCCCCCNc3ccn4c(c2cn4)n3	Q9B	8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
+CC(=O)NCCCCNCCCN	Q9C	n-{4-[(3-aminopropyl)amino]butyl}acetamide
+CC(=O)[C@H](Cc1cccc(c1)[N+](=O)[O-])NC(=O)OCc2ccccc2	Q9D	benzyl [(2s)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@@H](NC2=O)C(=O)N(C)C	Q9E	(5s,8r)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
+Cc1ccc(cc1c2c3c(c4c(n[nH]c4n2)N)CCCC3)F	Q9G	5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-3h-pyrazolo[3,4-c]isoquinolin-1-amine
+c1nc(c2c(n1)n(c(n2)C#CCOC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5NCCN)O)O)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N	Q9H	(2~{r},3~{r},4~{s},5~{r})-2-[6-azanyl-8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
+c1cc2c(cc1c3c(c4n(n3)C[C@@H]5C[C@H](N4)[C@H](C5)O)C(=O)N)ncs2	Q9J	(5s,6s,8r)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN)CC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N	Q9K	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC(C3)Oc4nnc(s4)NC(=O)Cc5ccccc5	Q9M	2-phenyl-n-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CNC(=O)CCCN)O)O)N)O)O)N	Q9N	~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide
+c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl	Q9P	azolopyrimidine
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)SCc2ccc(cc2)OCc3cn(nn3)CCOCCOCCOCCO)O)O)O	Q9Q	4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1h-1,2,3-triazol-4-yl)methoxy)benzyl-a-l-thiofucoside
+C1CN(CCC1Oc2nnc(s2)N)c3nnc(s3)N	Q9S	5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine
+c1c(cc(c(c1c2cc(no2)C(F)(F)F)O)Br)Br	Q9T	2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
+CC(=O)Nc1nnc(s1)N2CCC(CC2)Oc3nnc(s3)NC(=O)C	Q9V	n-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
+CC(C)CCn1c(c(nn1)O)C(=O)NC	Q9Y	~{n}-methyl-3-(3-methylbutyl)-5-oxidanyl-1,2,3-triazole-4-carboxamide
+CC(C)CCN1CC(=O)N=N1	Q9Z	3-(3-methylbutyl)-4~{h}-1,2,3-triazol-5-one
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=Cc5c(cno5)C[C@]34C	QA1	danazol
+C1CC1CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)NC(=O)CC5CC5	QA4	2-cyclopropyl-n-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+CC(C)CC(=O)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	QA7	5'-o-{(s)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine
+CC[C@H](CC(=O)O)C(=O)C(=O)O	QA8	(3~{r})-3-ethyl-2-oxidanylidene-pentanedioic acid
+c1ccc(cc1)CC(=O)Nc2ccc(nn2)N3CCC(CC3)Oc4ccc(nn4)NC(=O)Cc5ccccc5	QAA	2-phenyl-n-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide
+C1CCc2c(c(c(s2)N)C(=O)O)C1	QAB	2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
+c1cc(ccc1CO)C(=O)NCCC(=O)O	QAC	n-[4-(hydroxymethyl)benzoyl]-beta-alanine
+COc1cc2cc(sc2cc1OC)C(=O)CCC(=O)O	QAD	4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
+CCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl	QAE	6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
+CCCCC#Cc1ccc[n+](c1)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	QAF	{2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate)
+Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)Nc4ccc(c(c4)F)C#N)C)/C=C/C#N	QAG	4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile
+[H]/N=C(\CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)/[C@H](C=C)O	QAH	[(2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(3~{s})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate
+c1cc(cnc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5cccnc5	QAJ	2-(pyridin-3-yl)-n-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide
+C[C@H](CCCC[C@@H](C)CCC[C@H](C)/C=C/C[C@H](C)/C=C/CC(C)C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)(C)O	QAK	(6~{r},10~{s},14~{r},19~{r},23~{s},24~{e},27~{s},28~{e})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol
+c1ccc(cc1)CC(=O)Nc2nnc(s2)OC3CCN(CC3)c4nnc(s4)N	QAM	n-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
+CC1=Cc2c(cnc(c2NC1=O)N[C@@H]3CCN(C[C@H]3C(=O)NC4CCCCC4)C)c5ccco5	QAN	(3~{r},4~{r})-~{n}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{h}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide
+c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O	QAP	2-phenylethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
+c1ccc2c(c1)nc(n2c3ncnc(n3)NCC#N)Nc4cccc(c4)O	QAQ	[(4-{2-[(3-hydroxyphenyl)amino]-1h-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile
+Cc1nc(nc(n1)n2c3ccccc3nc2Nc4cc[nH]n4)N	QAR	1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-n-(1h-pyrazol-3-yl)-1h-benzimidazol-2-amine
+c1cc(nc(c1C(=O)O)C(=O)O)S	QAS	 6-mercaptopyridine-2,3-dicarboxylic acid
+C1C(=S)C=NC(=C1C(=O)O)C(=O)O	QAT	5-mercaptopyridine-2,3-dicarboxylic acid
+COc1cc2c(cc1CCCc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O	QAV	4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid)
+c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN	QAY	8-[4-(2-azanylethyl)pyrazol-1-yl]-3h-pyrido[3,4-d]pyrimidin-4-one
+CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3C(=O)NC4CCCCC4	QAZ	(3r,4r)-n-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide
+COc1cc2cc(sc2cc1OCCCOc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)C(=O)CCC(=O)O	QB1	4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F	QB4	(10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile
+CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[nH]cn3	QB5	n-(2-(1h-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
+COc1cc2cc(sc2cc1OCCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)C(=O)CCC(=O)O	QB7	4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid
+CC(=O)Nc1ccc2ccn(c2c1)c3cc(n4c(n3)c(cn4)C#N)NC5CC5	QB8	~{n}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide
+COc1cc2cc(sc2cc1OCCCOc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O)C(=O)CCC(=O)O	QBA	4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid)
+c1cc(ccc1C(=O)Nc2ccc3c(c2)CNCC3)F	QBB	4-fluoro-n-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
+COc1cc(c2cc(sc2c1)C(=O)CCC(=O)O)CCCc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O	QBD	4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
+CCC(=O)Nc1cc(ccc1C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	QBE	~{n}-[5-[[3-cyano-7-(cyclopropylamino)-3~{h}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide
+COc1cc2c(cc1OCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)cc(s2)C(=O)CCC(=O)O	QBG	4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid
+CCCN1[C@H](COC1=O)Cc2cc(ccc2O)C[C@@H]3CS(=O)(=O)C[C@@H]([C@H]3O)NCc4cccc(c4)C(C)C	QBH	(4s)-4-(2-hydroxy-5-{[(3s,4s,5r)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2h-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one
+COc1cc2c(cc1/C=C\COc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O	QBJ	4-{5-[(1z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid
+C12=NC(=O)SC1=NC(=NC2=O)N	QBK	5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione
+CCCSc1nc(c(nn1)C)O	QBM	6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol
+CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccccc3	QBN	2-[4-[(~{z})-1,2-diphenylbut-1-enyl]phenoxy]-~{n}-methyl-ethanamine
+c1cc(ccc1c2[nH]nnn2)C(F)(F)F	QBP	5-[4-(trifluoromethyl)phenyl]-1h-tetrazole
+c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	QBQ	7-deaza-gtp
+CC(=O)[C@@H](C#N)c1ccc(cc1)Cl	QBS	(2r)-2-(4-chlorophenyl)-3-oxobutanenitrile
+C[C@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	QBT	[(2r,3s,5r)-3-hydroxy-5-[(5s)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
+c1cc(c(cc1/C=C/C(=O)O)Br)O	QBV	(2e)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid
+c1ccc(cc1)CNCCc2ccc(c(c2)O)O	QBW	4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol
+CCSc1c2cc(ccc2ncc1C(=O)N3CCOCC3)OCc4ccccc4	QBY	6-(benzyloxy)-4-(ethylsulfanyl)-3-[(morpholin-4-yl)
+C[C@](Cn1ccnn1)([C@H](C(=O)O)/N=C/CC(=O)O)[S-](=O)=O	QBZ	(2~{s},3~{s})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{e})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid
+Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccoc5	QC0	n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]furan-3-carboxamide
+c1cc(ccc1CNc2cnccc2C(=O)O)F	QC1	3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid
+c1cc(cc(c1)O)c2ccnn2c3cc(ccn3)C(=O)O	QC2	2-[5-(3-hydroxyphenyl)-1h-pyrazol-1-yl]pyridine-4-carboxylic acid
+C[C@H]([C@@H](C1=N/C(=C\c2cc(c(c(c2F)F)O)F)/C(=O)N1CC(=O)O)N)O	QC4	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CN(C)CCn1cc(c(n1)n2cccc2)c3ccc(cc3)F	QC5	2-(4-(4-fluorophenyl)-5-(1h-pyrrol-1-yl)-1h-pyrazol-1-yl)-n,n-dimethylethanamine
+C[C@H]1[C@H]2[C@H](CC[C@]1(C)[C@H](C)[C@H](C)CCC(=O)C)[C@]3(CC[C@H](C[C@H]3C[C@H]2O)O)C	QC7	(5r,6r)-6-[(1s,2r,4as,4bs,7r,8as,10r,10as)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one
+CNC(=O)c1cc(cc2c1O[C@@H]([C@H]2c3ccccc3)CF)C(=O)NC4[C@H]5[C@@H]4COC5	QC8	(2~{s},3~{s})-2-(fluoranylmethyl)-~{n}7-methyl-~{n}5-[(1~{r},5~{s})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)N(=O)=O)O)/C(=O)N1CC(=O)O)N)O	QCA	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C[C@H]([C@@H](C(=O)O)NC(=O)CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	QCB	(2~{s},3~{r})-2-[2-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)OC)O)/C(=O)N1CC(=O)O)N)O	QCD	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl }acetic acid
+CC1=CN(C(=O)N(C1=O)CC(=O)NC)[C@H]2C[C@@H]([C@H](O2)COP(O)O)O	QCE	n3-(n-(1-amino-4-methyl-1-oxopentan-2-yl)-2-amino-2-oxo-ethyl)-2'-deoxythymidine
+Cc1c(cc(c2c1CCCO2)F)c3c(c(nc4n3nc(c4)c5ccccc5)C)[C@@H](C(=O)O)OC(C)(C)C	QCG	(2s)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2h-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
+CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	QCH	(2s)-6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC1=CN(C(=O)N(C1=O)Cc2cnn[nH]2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	QCK	(4-methyltriazole)-thymidine-5'-monophosphate
+CCC(CC)COc1cc(nc2c1cccc2N)C=O	QCL	8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde
+CCN(CC)Cc1ccc2cc(ccc2c1)COC(=O)Nc3ccc(cc3)C(=O)NO	QCM	givinostat
+CC(C)(C)c1cc(ccc1O)C[C@@H](C=O)N	QCN	(2~{s})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal
+CC(C)[C@@H](c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO	QCP	ar-42
+c1ccc(cc1)CNc2c3c(nc(n2)Cl)n(cn3)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)F	QCQ	[[(2~{r},3~{r},4~{s},5~{r})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+C([C@@H](C(=O)O)N)SC(=O)N	QCS	s-carbamoyl-l-cysteine
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O	QCT	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside
+C=Nc1ccc(cc1)N(=O)=O	QCV	n-(4-nitrophenyl)methanimine
+CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2	QCW	~{n}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide
+C[n+]1c2ccccc2sc1/C=C/c3ccc(c(c3)/C=C/c4[n+](c5ccccc5s4)C)O	QCY	2,2'-{(4-hydroxy-1,3-phenylene)di[(e)ethene-2,1-diyl]}bis(3-methyl-1,3-benzothiazol-3-ium)
+CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3	QCZ	~{n}5-cyclopropyl-~{n}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC)O	QD0	(2s,4r)-n-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CNS(=O)(=O)c1cc(cnc1OC)N2CCOc3c2cc(cc3)C(=O)NC4CCN(CC4)C	QD2	4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{n}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
+CNC(=O)C1=CC(=CN(C1=O)Cc2cccc3c2cc[nH]3)C(=O)NC4CC4	QD5	~{n}5-cyclopropyl-1-(1~{h}-indol-4-ylmethyl)-~{n}3-methyl-2-oxidanylidene-pyridine-3,5-dicarboxamide
+CP(=O)(CCCN)O	QD7	(r)-(3-aminopropyl)methylphosphinic acid
+CSc1nc(c(c(n1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3	QDA	n~4~,n~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine
+c1cc2c(cc(nc2c(c1)N)C=O)CC(=O)O	QDD	2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid
+CN(C)Cc1ccc2c(c1)N(CCO2)c3cc(c(nc3)OC)NS(=O)(=O)C	QDE	~{n}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide
+CC[C@H](C)N1C(=O)N(C=N1)c2ccc(c(c2)Br)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl	QDG	4-(3-bromo-4-{4-[4-({(2r,4s)-2-(2,4-dichlorophenyl)-2-[(1h-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2s)-butan-2-yl]-2,4-dihydro-3h-1,2,4-triazol-3-one
+C[C@@H](c1ccccc1F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl	QDH	[[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-[[(1~{s})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3cccc4c3cccc4)C(=O)NCc5cccnc5	QDJ	tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+C([C@@H]([C@@H](C(=O)CO)O)O)O	QDK	l-ribulose
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N(C)C)O	QDM	tdp-3,6-dideoxy-3-n,n-dimethylglucose
+COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O	QDN	quinidine
+c1ccc2c(c1)[n+](c(c([n+]2[O-])CBr)CBr)[O-]	QDO	2,3-bis(bromomethyl)quinoxaline 1,4-dioxide
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3cccc4c3cccc4)C(=O)/N=C/Cc5cccnc5	QDP	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2s)-3-(naphthalen-1-yl)-1-oxo-1-{(e)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O)NC(=O)c7cccc(c7O)O	QDQ	~{n}-[2-[[(2~{s})-3-[[(2~{s})-3-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide
+Cc1cccc2c1N=C(NC2=O)CSc3[nH]nc(n3)N	QDR	2-{[(3-amino-1h-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3h)-one
+c1ccc2c(c1)ncc(n2)C(=O)N[C@H](CO)C(=O)O	QDS	n-(quinoxalin-2-ylcarbonyl)-d-serine
+CC(C)COC(=O)C1(CC1)c2nc3c(ccc(n3n2)c4ccc5c(c4)COC5=O)OC	QDT	2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{h}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCc4cccnc4	QDV	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1	QDW	methoxymethyloxathiatetraazatetracyclodocosahexaenedione
+CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4	QDY	tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)CN(C)C	QDZ	~{n},~{n}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{h}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
+c1cc(c(cc1F)C(=O)O)NS(=O)(=O)c2ccc3c(c2)CCCC3	QE2	5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCc4cccnc4	QE4	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+Cc1ccc(cc1C)S(=O)(=O)Nc2ccc(cc2C(=O)O)F	QE5	2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid
+C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC[C@H]2[C@@H](C[C@H]([C@H]([C@@H]2O)O)O)O)O)O)O)CO	QE8	(1~{r},2~{r},3~{r},4~{s},5~{r})-4-[[(1~{s},2~{s},3~{s},4~{r},5~{r})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol
+CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4	QEA	tert-butyl [(2r)-1-(1h-indol-3-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+O12[Re]3O4[Re]1O5[Re]2O3[Re]45	QEB	[re4(mu3-oh)4(co)12]
+c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCNC(=O)C3=CC=CC(=O)N3O	QED	n,n'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide)
+CC(C)(C)OC(=O)c1ccc(nc1)n2c(c(cn2)n3ccnn3)O	QEE	~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N	QEG	n~2~-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-l-glutaminyl-l-alpha-glutamine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O	QEH	(7r)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide
+c1c(c2c([nH]1)N=C(NC2=O)N)CN[C@H]3C=C[C@@H]([C@@H]3O)O	QEI	2-amino-5-({[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C1C[C@H](NC1)C#N	QEJ	(2s)-pyrrolidine-2-carbonitrile
+Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(c(c2)Cl)CNC(=O)c3c4ccccc4[nH]n3	QEK	2-[[3-chloranyl-4-[(1~{h}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid
+C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3	QEL	4-[(1r,2s)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
+C[C@@H](CN1CCC(CC1)Cc2ccccc2)[C@H](c3ccc(cc3)O)O	QEM	4-[(1r,2s)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
+c1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3C(=O)O)Br	QEN	5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CSC[C@@H](C(=O)NCc3cccnc3)Nc4ccccc4	QEP	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
+c1cn(nn1)c2cnn(c2O)c3cc(ncn3)N4CCOCC4	QEQ	2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol
+CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)CSC[C@H](C(=O)NCc3cccnc3)Nc4ccccc4	QES	tert-butyl [(2r)-1-(1h-indol-3-yl)-3-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
+CS(=O)(=O)c1ccc(c(c1)C(=O)N2Cc3cc(c(cc3C2)F)OC4CCOCC4)OCC(C(F)(F)F)(F)F	QET	[5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone
+Cc1c(ncn1c2cccc(c2F)Cl)C(=O)N[C@H]3CCC[C@H](C(=O)Nc4cc(ccc4-c5ccnc3c5)NC(=O)OC)C	QEV	methyl [(3r,7s)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1h-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
+C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)c4cnn(c4N)c5cccc(c5F)Cl	QEY	methyl [(3r,7s)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1h-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
+c1cc2c(cc1S(=O)(=O)Nc3ccc(cc3C(=O)O)Br)CCCC2	QEZ	5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid
+CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	QF1	5-bromo-3-chloro-n-[1-cyclopentyl-2-(methylsulfonyl)-1h-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide
+COc1cc(cc2c1OCO2)CN(CC3=CC(=O)NC(=O)N3)C4CC4	QF2	6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{h}-pyrimidine-2,4-dione
+c1ccc(cc1)COC(=O)N[C@@H](Cc2cccc(c2)N=[S@](=O)(N3CCC(CC3)C(=O)N)F)C#N	QF4	benzyl [(1s)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)N[C@@H]5CCNC5	QF8	~{n},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{r})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
+Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)N[C@@H]5CCOC[C@@H]5N)C(=O)NC	QFB	7-[[4-[4-[[(3~{r},4~{r})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{n},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)OCO)O	QFD	(3s,6s)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
+Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)N[C@@H]6CCOC[C@@H]6N	QFE	(3~{r},4~{r})-~{n}4-[1-[2-(1-methylindol-4-yl)-3~{h}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
+[H]/N=C(\CCC(=O)N)/C1=N/C(=C/c2ccccc2)/C(=O)N1CC(=O)O	QFG	{(4e)-2-[(1e)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C[C@@H]([C@@](C)(C(=O)O)O)O	QFH	(2s,3s)-2,3-dihydroxy-2-methylbutanoic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(O)O)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	QFI	({4-[(2s,3r)-2-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}butyl]phenoxy}methyl)phosphonic acid
+CCC(=O)SCC[N+](C)(C)C	QFJ	propionylthiocholine
+Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)CN(C)C)C(=O)NC	QFK	7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{n},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
+c1ccc(c(c1)CSC2=NCCN2)Cl	QFM	2-((2-chlorobenzyl)thio)-4,5-dihydro-1h-imidazole
+Cc1c2c(n(n1)C3CC3)C(=O)N([C@@H]2c4ccc(cc4)Cl)C5=CN(C(=O)C(=C5)C)C	QFN	(4~{r})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{h}-pyrrolo[3,4-c]pyrazol-6-one
+B(c1ccccc1)(O)OCCO	QFP	2-hydroxyethyl hydrogen phenylboronate
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)N[C@@H]5CCCNC5	QFQ	~{n},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{r})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
+B(c1cccc(c1)OC)(O)OCCO	QFS	2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate
+c1cc(c(cc1N(=O)=O)O)F	QFT	2-fluoranyl-5-nitro-phenol
+Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)cccc2NS(=O)(=O)c6ccccc6Cl	QFV	2-chloro-n-(6-methyl-5-{[3-(2-{[(3s)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide
+CCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(c(c3)O)C(=O)O	QFW	2-oxidanyl-4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid
+c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	QFY	{n-(2-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
+c1(c(c(c(c(c1F)F)F)F)F)O	QFZ	2,3,4,5,6-pentakis(fluoranyl)phenol
+c1ccnc(c1)C[N+]2(Cc3cccc[n+]3[Fe]2)CCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5	QG1	{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-n-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)pentanamide}iron(2+)
+CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O	QG2	(2~{s},3~{s},4~{r},5~{r},6~{s})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+c1cc[n+]2c(c1)C[N+]3([Fe]2([n+]4ccccc4C3)N=[N+]=N)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	QG4	{n-(2-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappan~1~)iron(4+)
+c1ccnc(c1)CN(CCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)Cc4ccccn4	QG7	n-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccccc6)NC(=O)OC	QG8	methyl ((s)-1-(2-([1,1'-biphenyl]-4-ylmethyl)-2-(3-((3s,4s)-3-benzyl-4-hydroxy-1-((1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)-2-oxopyrrolidin-3-yl)propyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
+CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC	QG9	methyl ((s)-1-(2-(3-((3s,4s)-3-benzyl-4-hydroxy-1-((1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)-2-oxopyrrolidin-3-yl)propyl)-2-(4-(pyridin-4-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
+C1CCC(CC1)CCC(=O)N(CCO)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O	QGA	1-[(3-cyclohexylpropanoyl)(2-hydroxyethyl)amino]-1-deoxy-d-allitol
+C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N	QGB	5-(4-((2s,5s)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4h-1,2,4-triazol-3-amine
+CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC	QGD	o-{(r)-hydroxy[(2r)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-l-serine
+CCCc1cc2c(cc1OC(=O)C)OC=C(C2=O)c3nc(cs3)C	QGE	[3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate
+C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CC1)OCc2ccc(cc2Cl)Cl)N(C=O)O)c3ncc(cn3)F	QGF	n-[(2s,4s)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-n-hydroxyformamide
+c1cc2c(cc1S(=O)(=O)N3CCC[C@@H]3C(=O)O)c(ncc2Cl)N=C(N)N	QGG	1-({4-chloro-1-[(diaminomethylidene)amino]isoquinolin-7-yl}sulfonyl)-d-proline
+C[C@@H]1c2c(c3ccccc3[nH]2)CCN1	QGH	(1~{r})-1-methyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+c1ccc(cc1)CCCNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@H]([C@H](O3)COP(=O)(O)O)O	QGJ	1-(2-deoxy-5-o-phosphono-beta-d-threo-pentofuranosyl)-2,4-dioxo-n-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
+C[C@H]1c2c(c3ccccc3[nH]2)CCN1	QGK	(1~{s})-1-methyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+c1ccc(cc1)NC(=O)N[C@H]2C[C@@H](Nc3c2c(cc(c3)Cl)Cl)C(=O)O	QGM	(2r,4s)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
+Cc1c(nnc2c1c(n[nH]2)N)C	QGN	4,5-dimethyl-1~{h}-pyrazolo[3,4-c]pyridazin-3-amine
+c1cc(c(cc1Cl)Cl)c2cc(c(c(c2)CP(=O)(O)O)O)C[C@@H](C(=O)O)N	QGP	(2s)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid
+Cc1cc(ncn1)SCc2c(noc2C)C	QGQ	3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole
+CC(C)c1cc(cc(c1)[C@@H](Cn2ccc3c2c(ccc3)C(=O)O)O)c4ccc5c(c4)[C@@H](CO5)N	QGS	1-[(2s)-2-{3-[(3s)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1h-indole-7-carboxylic acid
+Cc1c2cc(cnc2n(n1)c3ccccn3)C(=O)c4ccccc4O	QGV	(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1h-pyrazolo[3,4-b]pyridin-5-yl]methanone
+CCCc1cc2c(cc1OC(=O)C)OC(=C(C2=O)c3nc(cs3)C)C	QGW	[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate
+c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QGZ	5-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid
+CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)C(=O)C)c5cncnc5)F	QH1	n-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1h-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide
+c1ccc(cc1)[C@H]2C[C@@H]2c3c(cnn3c4cccc(c4)N(CC(=O)O)S(=O)(=O)c5ccccc5)C(=O)O	QH2	1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid
+[H]/N=C(\N)/SCc1ccc(c(c1)Cl)Cl	QH3	3,4-dichlorobenzyl carbamimidothioate
+CCC(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6	QH4	{(2s)-4-[2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile
+c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)c4n[nH]nn4)C5CC5	QH5	~{n}-[3-[5-cyclopropyl-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide
+CCCCc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QH8	1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=C)F)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC	QHA	(3r,3as,4r,6ar)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+COc1cccc2c1[nH]nn2	QHB	7-methoxy-1~{h}-benzotriazole
+CCC(=O)N[C@@H]1CCCc2c1cncc2c3ccc(c(c3)F)Cl	QHC	n-[(8r)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@](C[C@](CC(=O)O)(C(=O)O)O)(O)OP(=O)(O)O)O	QHD	(2~{r})-2-[(2~{r})-2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{r},4~{s},5~{s})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid
+CCc1nnc2n1c(cs2)c3ccccc3	QHE	3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
+Cc1c(c(on1)C)CCC2CCN(CC2)S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(cn3)F)N(C=O)O	QHF	n-[(2s,4s)-1-({4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-n-hydroxyformamide
+CC(C)CN1CCc2cc(ccc2[C@H]1c3ccc(cc3)/C=C/C(=O)O)O	QHG	(e)-3-[4-[(1r)-6-hydroxy-2-isobutyl-3,4-dihydro-1h-isoquinolin-1-yl]phenyl]prop-2-enoic acid
+CCCC[C@H]1CCCN1C(=O)[C@H]2CCC[C@H](C2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5	QHH	1-[3-[(1~{r},3~{s})-3-[(2~{s})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CS(=O)(=O)CC6CCCCC6)C(=O)O	QHJ	(r)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
+c1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QHK	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid
+c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N	QHL	delta-[ru(tap2-dppz-cn]2+
+CCN(CC)CCNc1ccc(c2c1C(=O)c3ccccc3S2)CO	QHM	hycanthone
+c1ccc(cc1)n2c(c(cn2)C(=O)O)C3CC3	QHN	5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC45CC6CC(C4)CC(C6)C5)C(=O)O	QHP	(r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3r,5r,7r)-adamantan-1-ylmethyl)sulfonyl)propanoic acid
+COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QHQ	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC4CCCCC4)C(=O)O	QHS	(r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
+Cc1cc(c(c(c1C)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C	QHT	5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3cccc(c3)c4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	QHV	(r)-3-(benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid 
+Cc1cc(c(c(c1C)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C	QHW	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
+CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(=O)O	QHY	1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid
+COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)[C@H]4C[C@@H]4c5ccccc5	QHZ	1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid
+c1cc(ccc1CN(CCCC(=O)NO)Cc2ccc(cc2)Cl)Cl	QI1	4-[bis(4-chlorobenzyl)amino]-n-hydroxybutanamide
+Cc1cc(ccc1F)CCC[N@](C)CC[C@@H](C[C@H](c2ccc(cc2)F)OC)C(=O)NO	QI2	(2s,4r)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-n-hydroxy-4-methoxybutanamide
+c1cc(ccc1O[C@@H]2C[C@H](N(C2)S(=O)(=O)c3ccc(cc3)Cl)C(=O)NO)Cl	QI3	(4r)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-n-hydroxy-l-prolinamide
+COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O	QI9	quinine
+C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O	QIC	(1s,3r,4s,5r)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
+c1ccc(cc1)S(=O)(=O)c2ccc3c(c2)C(=O)N(C(=O)N3)O	QID	3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1h,3h)-dione
+C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O)O	QIF	1-deoxy-7-o-phosphono-alpha-d-gluco-hept-2-ulopyranose
+Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5	QIG	n-1h-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
+CC[C@H](C)[C@@H](C(=O)O)NC=O	QIL	n-formyl-l-isoleucine
+CCCC[C@@H]([C@H](Cc1ccsc1)NC(=O)c2cc(nc(c2)N(C)S(=O)(=O)C)NC[C@H]3C[C@@H]3C)N	QIN	n-[(1s,2s)-2-amino-1-(3-thienylmethyl)hexyl]-2-({[(1s,2s)-2-methylcyclopropyl]methyl}amino)-6-[methyl(methylsulfonyl)amino]isonicotinamide
+CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O	QIU	3-[3-(2-acetamidoethyl)phenyl]benzoic acid
+CC(=O)Nc1nc2cc(ccc2s1)O	QIV	n-(5-oxidanyl-1,3-benzothiazol-2-yl)ethanamide
+[H]/N=C(/N)\NCCC[C@@H](C(=O)NCC(=O)NCC(=O)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)CC(=O)NO	QIX	n~2~-[(2r)-4-(hydroxyamino)-2-(2-naphthylmethyl)-4-oxobutanoyl]-l-arginylglycylglycinamide
+COC(=O)N1CC[C@H](SCC1)c2cccs2	QJ1	methyl (7s)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
+Cc1cc(nc(c1)N)CCCCCc2cc(cc(n2)N)C	QJ2	6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C	QJ4	6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine)
+CCCc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QJ5	5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
+Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F	QJ7	6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)COC[C@@H]2C[C@H](CN2)OCc3cc(cc(n3)N)C	QJ8	6-({[(3r,5s)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine
+CCN1c2ccccc2N(C1=O)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6o5	QJ9	1-{(3s)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2h-benzimidazol-2-one
+CC(=O)N1CC[C@H](SC=C1)c2cccs2	QJA	1-[(7s)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5h)-yl]ethan-1-one
+C[C@H]1[C@H]([C@H]([C@H]2[C@@H](O1)Oc3ccc(cc3S2)CC(=O)NCCCO)O)O	QJB	2-[(2~{s},3~{s},4~{r},4~{a}~{s},10~{a}~{s})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{h}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{n}-(3-oxidanylpropyl)ethanamide
+C(CO)COCCOCCOCCOCCOCCOCCN	QJE	3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
+c1cc(ncc1F)C(=O)N[C@H]2C[C@@H]2[C@]34COC[C@H]3CSC(=N4)N	QJJ	n-{(1s,2s)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide
+c1cc(ncc1F)C(=O)N[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N	QJM	n-{(1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide
+CCCCCCCO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O)O)O)CO)CO	QJN	(1~{r},2~{s},4~{r},5~{s},6~{r})-6-[(2~{s},3~{r},4~{r},5~{s},6~{r})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol
+C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N	QJP	(1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-n-{[(1r,2r)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide
+c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3c4cc(ccc4[nH]c3C(=O)O)F	QJS	5-fluoranyl-3-[[(1~{s},2~{s})-2-phenylcyclopropyl]carbonylamino]-1~{h}-indole-2-carboxylic acid
+CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O	QJT	1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
+CCCCNC(=O)[C@@H]1C[C@H]1[C@]23COC[C@H]2CSC(=N3)N	QJV	(1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-n-butylcyclopropane-1-carboxamide
+c1ccc(c(c1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O)N(=O)=O	QJW	(2~{s},3~{s})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC(C)C	QJY	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+CC(=O)Nc1nc2ccc(cc2s1)c3ccnc(n3)SC	QJZ	n-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide
+CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)Cl)NS(=O)(=O)c4ccc(cc4)F	QK0	n-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC(C)C	QK1	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl {(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+Cc1cc2c(c(c1)F)NC(=O)N2C3CCN(CC3)C4CCOCC4	QK2	7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{h}-benzimidazol-2-one
+Cc1c(c2cccnc2n1CC#N)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6s5	QK5	(3-{(3r)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1h-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile
+C[C@@H]1C[C@H]1COC(C)(C)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5	QK7	(4ar,7ar)-7a-[(1r,2r)-2-(2-{[(1r,2r)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
+CCOC(=O)N1CCC[C@@H](CC1)N2CCC(CC2)C(=O)NC3(CCC3)C	QK8	ethyl (4~{s})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate
+C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5	QKA	(1r,2r)-2-[(4ar,7ar)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4h)-yl]-n-{[(1r,2r)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide
+CCOC(=O)N1CC[C@H](SCC1)c2cccs2	QKD	ethyl (7s)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(o3)Cl)N	QKE	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
+Cc1c2c(ccn1)c3ccc(cc3n2CCCC(=O)N)OC	QKG	4-(7-methoxy-1-methyl-9h-beta-carbolin-9-yl)butanamide
+COC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)OC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6OC)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OC)OC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)OC)CO)CO)CO)CO)CO)CO)OC)O	QKH	methyl-cyclo-hepta-amylose
+CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)CCC(=O)O	QKJ	3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
+[H]/N=C(\N)/NNC(=O)Nc1c(cc(cc1F)S(=O)(=O)Nc2c(ncs2)C(=O)O)F	QKK	5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
+C[C@@H](c1nc(cs1)c2ccc(cc2)C#N)[C@](Cn3cncn3)(c4cc(ccc4F)F)O	QKM	4-{2-[(2r,3r)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1h-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile
+Cc1cc(cc(c1OC[C@@H](CN2CCN(CC2)C)O)C)C3=CC(=O)c4c(cc(cc4OC)OC)O3	QKP	2-{4-[(2r)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4h-1-benzopyran-4-one
+COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4	QKQ	~{n}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
+c1ccc(cc1)NC(=O)OC[C@H](CN2CCCCC2)OC(=O)Nc3ccccc3	QKT	diperodon (s-enantiomer)
+c1cc(cc(c1)c2cccc(c2)C(=O)O)CO	QKU	3-[3-(hydroxymethyl)phenyl]benzoic acid
+c1cc2c(cc1Br)COC3(O2)CCN(CC3)CO	QKV	(6-bromo-1'h,4h-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol
+c1cc(cnc1)C(=O)OCc2ccc(cc2)Cl	QKW	(4-chlorophenyl)methyl pyridine-3-carboxylate
+CN1C(=O)[C@@](N=C1N)(CCC2CCCCC2)c3ccccc3	QKY	(5r)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4h-imidazol-4-one
+c1cnc(nc1)NC(=O)Cc2ccc(cc2)Cl	QKZ	2-(4-chlorophenyl)-~{n}-pyrimidin-2-yl-ethanamide
+CN1C(=O)[C@](N=C1N)(c2ccc(cc2)OC)C34CC5CC(C3)CC(C5)C4	QL1	(5r)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4h-imidazol-4-one
+CCn1cnc2c1nc(nc2Nc3cc(cc(c3)F)F)C#N	QL2	6-[(3,5-difluorophenyl)amino]-9-ethyl-9h-purine-2-carbonitrile
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCC(=O)O)COc2ccccc2)O	QL4	(4s)-4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid
+Cc1ccc(c(c1)OC(=O)c2ccncc2)C	QL5	(2,5-dimethylphenyl) pyridine-4-carboxylate
+CC(C)([C@@H](CN1Cc2cc(c(cc2C1=O)N3CCOCC3)NC(=O)c4cnn5c4nccc5)F)O	QL7	n-{2-[(2r)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1h-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCOCCOCCOCCOCCOCC#Cc4ccc(cc4)OCCCc5c(nc(s5)N6CCc7cccc(c7C6)C(=O)Nc8nc9ccccc9s8)C(=O)O)O	QL8	2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{s})-3,3-dimethyl-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid
+c1ccc2c(c1)C(=O)C(=C(C2=O)O)Nc3ccc(cc3)F	QLA	2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione
+CCCCCCCCOCCOCCOCCO	QLB	2-[2-(2-octoxyethoxy)ethoxy]ethanol
+CCOC(=O)[C@H]1CCCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	QLD	ethyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate
+CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCN(C)C)C)C)C	QLE	[(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-bis(oxidanylidene)-1-oxacyclododec-9-en-4-yl] 3-(dimethylamino)propanoate
+[H]/N=C(/CCC(=O)N)\C1=NC(=CC(C)C)C(=O)N1CC(=O)O	QLG	[(4z)-2-[(1z)-4-amino-4-oxobutanimidoyl]-4-(2-methylpropylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1cc2c(ccc(c2nc1)C#N)N3C[C@H](C[C@H](C3)N)C(F)(F)F	QLH	5-[(3~{r},5~{s})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
+C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1N)C(=O)O	QLI	(5s,6s)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid
+CCOC(=O)[C@H]1CCCC[C@@H](c2cc(ccn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	QLJ	ethyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate
+COC(=O)[C@H]1CCCC[C@@H](c2[nH]c(cn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	QLM	methyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1h-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate
+C#Cc1ccc(cc1)/C=C/C2=Nc3ccccc3C(=O)N2c4cccc(c4)C(=O)O	QLN	3-[2-[(~{e})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)N)C(=O)O)O	QLP	n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-glutamine
+Cc1cc(cc2c1n[nH]c2)C[C@H](C(=O)N[C@@H](CC3CCNCC3)C(=O)N4CCN(CC4)c5ccncc5)NC(=O)N6CCC7(CC6)c8cccnc8NC(=O)O7	QLQ	~{n}-[(2~{r})-3-(7-methyl-2~{h}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{h}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
+CC[C@@H](C#Cc1c(nc(nc1N)N)C)c2cc(c(c(c2)OC)OC)OC	QLR	6-methyl-5-[(3r)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine
+COC(=O)Nc1ccc-2c(c1)N[C@H](CCCC[C@@H](c3[nH]c2cn3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)C(F)(F)F	QLS	methyl [(2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1h-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate
+CC[Sn](CC)(CC)Br	QLT	triethyltin bromide
+COc1c(cc(cn1)NS(=O)(=O)C)/C=C/C2CCC(CC2)(F)F	QLV	n-{5-[(e)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCc3ccccc3	QLW	n,n-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine
+CCCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC	QLZ	5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine
+c1cc(c(nc1)C(=O)O)CC(=O)O	QM1	3-(carboxymethyl)pyridine-2-carboxylic acid
+c1cc(ccc1c2cc3c(s2)c(ncn3)SCC(=O)O)C4CC4	QM2	2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid
+c1cc2c(ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O)cc1CCC(=O)O	QM4	(2s,3r)-1-[7-(2-carboxyethyl)phenanthrene-2-carbonyl]piperazine-2,3-dicarboxylic acid
+COc1ccc(cc1)NNc2ccc(cc2)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O	QM5	(2~{s},3~{s})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid
+C(CCS)C[C@@H](C(=O)O)N	QM8	6-sulfanyl-l-norleucine
+COc1ccc2c(c1)ccc(c2C=O)O	QMA	2-hydroxy-6-methoxynaphthalene-1-carbaldehyde
+C(C[C@@H](C(=O)O)N)CS	QMB	5-mercapto-norvaline
+C=C(C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	QMD	2-[oxidanyl-[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxyprop-2-enoic acid
+c1ccc2c(c1)cc([nH]2)[C@H]3CCCCN3	QME	2-[(2~{r})-piperidin-2-yl]-1~{h}-indole
+Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4	QMG	3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-n-cyclopropyl-4-methylbenzamide
+CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O	QMH	(2~{s})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)Br)Cl	QMI	4-bromo-2,6-dichloro-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+CC(=O)NCCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	QMK	~{n}-[2-[1-[(2~{r},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamide
+CN(C)C(=O)CC[C@@H](C(=O)O)N	QMM	n,n-dimethyl-l-glutamine
+CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(N2)CCCC3=O)c4cccc(c4)Oc5[nH]c6ccccc6n5	QMN	ethyl (9s)-9-[3-(1h-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2h-pyrrolo[3,4-b]quinoline-3-carboxylate
+CP(=O)(O)OC1CCCCC1	QMP	cyclohexyl methylphosphonate
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)Cn4cnc5c4ncnc5N	QMQ	1-(4-(4-(4-((6-amino-9h-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium
+c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4	QMR	varenicline
+CS(=O)(=O)Nc1cccc2c1nccc2	QMS	n-(quinolin-8-yl)methanesulfonamide
+c1ccc(cc1)O[C@@H]2CCCN(C2)c3cc(nnc3N)c4ccccc4O	QMT	2-[6-azanyl-5-[(3~{r})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
+c1cc(c(cc1c2c(n(cn2)CCO)c3ccc4ncc(n4n3)C#N)Cl)F	QMV	6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1h-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
+c1ccc(c(c1)c2cc(c(nn2)N)N3CCC(CC3)O)O	QMW	1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
+Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3	QMY	6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1h-imidazol-5-yl]imidazo[1,2-a]pyridine
+COc1cc(cc(c1OC)OC)C(=O)N2CCC[C@@H](C2)c3ccnc4n3ncn4	QMZ	[(3~{s})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
+c1cc(ccc1CN([C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N)C(F)(F)F	QN1	4,4'-[(3s,4s)-pyrrolidine-3,4-diylbis({[4-(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide
+c1ccc(cc1)S(=O)(=O)N(Cc2ccc(cc2)I)[C@H]3CNC[C@@H]3N(Cc4ccc(cc4)I)S(=O)(=O)c5ccccc5	QN2	n,n'-(3s,4s)-pyrrolidine-3,4-diylbis[n-(4-iodobenzyl)benzenesulfonamide]
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4Cl)S(=O)(=O)c5ccccc5Cl	QN3	n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(n-benzyl-2-chlorobenzenesulfonamide)
+Cc1ccc(cc1S(=O)(=O)N)NC(=O)CN2C(=O)C(=CC=N2)Cl	QN4	2-(5-chloro-6-oxopyridazin-1(6h)-yl)-n-(4-methyl-3-sulfamoylphenyl)acetamide
+Cc1c(c2ccccc2[nH]1)CC(=O)O	QN5	2-(2-methyl-1~{h}-indol-3-yl)ethanoic acid
+COc1cccc(c1F)c2cccc(c2)[C@@]3(C4=NCC(CN4C(=N3)N)(F)F)c5ccncc5	QN7	(8s)-3,3-difluoro-8-(2'-fluoro-3'-methoxybiphenyl-3-yl)-8-pyridin-4-yl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
+C[C@@H]1C(=O)C2CCN1CC2	QN8	(2~{r})-2-methyl-1-azabicyclo[2.2.2]octan-3-one
+[B-]1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)(O)O	QNA	(1~{a}~{r},7~{b}~{s})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{h}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
+c1ccc(cc1)C(c2ccccc2)(C(=O)O[C@H]3CN4CCC3CC4)O	QNB	(3r)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate
+c1ccc2c(c1)ccc(n2)C(=O)O	QNC	quinoline-2-carboxylic acid
+c1ccc2c(c1)ccc(n2)C(=O)O	QND	quinaldic acid
+C[C@@H]1Cc2c(ccc3c2c[nH]n3)[C@H](N1CC4(CC4)F)c5ccc(cc5OC)NC6CN(C6)CCCF	QNE	~{n}-[4-[(6~{s},8~{r})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine
+CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C	QNG	n-[(1s)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1h-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bs,4ar)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1h-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
+CCCN1CC(C1)Nc2ccc(nc2)[C@@H]3c4ccc5c(c4C[C@H](N3CC(F)(F)F)C)cn[nH]5	QNH	6-[(6~{s},8~{r})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{n}-(1-propylazetidin-3-yl)pyridin-3-amine
+c1[nH]c2c(n1)c(ncn2)N3CCCC4(C3)CCNCC4	QNI	6-(2,9-diazaspiro[5.5]undecan-2-yl)-9h-purine
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C	QNJ	(3beta,5beta,14beta,17alpha)-cholestan-3-ol
+C[C@@H]1Cc2c(ccc3c2c[nH]n3)[C@H](N1CC4(CC4)F)c5ccc(cn5)NC6CN(C6)CCCF	QNK	6-[(6~{s},8~{r})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{n}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine
+CC(C)COc1cc(nc2c1cccc2NC(=O)C)C=O	QNL	~{n}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide
+CN1c2ccccc2C(=O)C(=C1O)C(=O)NCC(=O)O	QNM	2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid
+C[C@H]1C(=O)C2CCN1CC2	QNN	(2~{s})-2-methyl-1-azabicyclo[2.2.2]octan-3-one
+CCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O	QNO	2-nonyl-4-hydroxyquinoline n-oxide
+CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC)COP(=O)(O)O	QNP	(2s)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate
+Cc1ccc(c(c1SC[C@@H](C(=O)O)N)O)O	QNQ	4-methylcatechol cysteine
+COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3Cl)NC(=O)c4ccco4	QNS	n-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
+Cc1cc(c(c(c1O)O)C)SC[C@@H](C(=O)O)N	QNT	3,6-dimethylcatechol cysteine
+Cc1ccc(c(c1O)O)SC[C@@H](C(=O)O)N	QNW	3-methylcatechol cysteine
+C[C@H]([C@@H](C(=O)O)N)OC(C[C@@H](C(=O)O)N)(O)O	QNY	o-[(3s)-3-amino-3-carboxy-1,1-dihydroxypropyl]-l-threonine
+c1ccc2c(c1)C(=O)N(C(=N2)/C=C/c3ccc(cc3)C#N)c4cccc(c4)C(=O)O	QNZ	(e)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4h)-yl)benzoic acid
+CS(=O)(=O)NCC#Cc1ccc(cc1)N2[C@@H](C(C2=O)CC[C@@H](c3ccc(cc3)F)O)c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	QO1	4-[(2s,3r)-3-[(3s)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-d-glucopyranosiduronic acid
+Cc1cc(c(c(c1C)SC[C@@H](C(=O)O)N)O)O	QO2	4,5-dimethylcatechol cysteine
+C[C@@H](COCCC(=O)N1CCN(CC1)c2ncc(cn2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F	QO4	5-{[(2s)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2h)-one
+Cc1cc(c(c(c1O)O)SC[C@@H](C(=O)O)N)C	QO5	3,5-dimethylcatechol cysteine
+Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3F)Br)C(=O)NOCCO	QO7	5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-n-(2-hydroxyethoxy)-1-methyl-1h-benzimidazole-6-carboxamide
+Cc1cc(c(c(c1C)O)O)SC[C@@H](C(O)O)N	QO8	3,4-dimethylcatechol cysteine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C	QO9	1-[(5r,6r,8r,9r)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+c1cc(c(cc1I)F)Nc2cnccc2C(=O)NC[C@@H](CO)O	QOA	n-[(2s)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide
+C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCCc2ccccc2)O	QOB	~{n}-[(2~{s},3~{r})-1-[[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide
+CCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCC(C)C)O)O	QOD	(3r)-n-[(2s,3r)-1-(alpha-d-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide
+C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCc2ccccc2)O	QOE	(2~{s},3~{r})-~{n}-[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide
+CC(C)NC(=O)Nc1nnc(s1)S(=O)(=O)N	QOG	5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide
+C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCCCCCCCC(C)C)O	QOH	11-methyl-~{n}-[(2~{s},3~{r})-1-[[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide
+c1ccc2c(c1)C(=C3CCCC3=[N]2CCCCCCCCCC[N]4=C5C=CC=CC5=C(C6=C4CCC6)N)N	QOJ	4-[10-(9-azanyl-2,3-dihydro-1~{h}-cyclopenta[b]quinolin-4-yl)decyl]-2,3-dihydro-1~{h}-cyclopenta[b]quinolin-9-amine
+CN1c2c(n(cn2)COCCOC)C(=O)N(C1=O)C	QOK	7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione
+c1cc2c(cc(nc2c(c1)N)C=O)OCC(CO)CO	QOL	8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde
+CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NC(=O)C)C5CC5	QOM	trametinib
+C[C@H](c1ncc(s1)C(=O)Nc2cc(c(cn2)Cl)C(F)(F)F)NC(=O)c3c(c(ncn3)N)Cl	QOP	6-amino-5-chloro-n-[(1r)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
+Cc1cc(cc(n1)Cl)CN2CCC[C@@H](C2)c3cc(nc4n3ncn4)C(F)F	QOQ	5-[bis(fluoranyl)methyl]-7-[(3~{s})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
+CC1=CNC(=O)C(=N1)C	QOS	3,5-dimethylpyrazin-2(1h)-one
+Cc1nc2c(cccn2n1)NS(=O)(=O)c3cc(ccc3OC)Cl	QOV	5-chloro-2-methoxy-n-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide
+COc1ccc(cc1S(=O)(=O)Nc2cccn3c2ncn3)Cl	QOY	5-chloro-2-methoxy-n-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide
+c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CC(=O)Nc4ccc(cc4)S(=O)(=O)N	QOZ	2-[4-(diphenylmethyl)piperazin-1-yl]-~{n}-(4-sulfamoylphenyl)ethanamide
+CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SCCOC)c4ccc(cc4)F)OC	QP1	n-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1h-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNC(N)(O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	QP2	(4r,5s)-3-{[(3s,5s)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid
+COCCCc1[nH]c(c(n1)c2ccc(cc2)F)c3ccnc4c3CC(=N4)c5ccccc5	QP4	4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1h-imidazol-5-yl]-2-phenyl-3h-pyrrolo[2,3-b]pyridine
+c1ccc(cc1)c2cc3c(ccnc3[nH]2)c4c(nc([nH]4)CCCO)c5ccc(cc5)F	QP7	3-[4-(4-fluorophenyl)-5-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)-1h-imidazol-2-yl]propan-1-ol
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O	QP8	 tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
+C[C@](C(=O)O)(OP(=O)(O)O)SC[C@@H](C(=O)O)N	QPA	s-[(1s)-1-carboxy-1-(phosphonooxy)ethyl]-l-cysteine
+C/C(=C/c1ccc(cc1)O)/C(=O)OC	QPB	methyl (~{z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate
+CC(C)(C)CNC(=O)Cc1ccc(cc1)Nc2c(cnc(n2)c3ccccc3)C(=O)N	QPC	4-[(4-{2-[(2,2-dimethylpropyl)amino]-2-oxoethyl}phenyl)amino]-2-phenylpyrimidine-5-carboxamide
+c1ccc(cc1)[C@H](C(=O)N)NNC(=O)c2c[nH]c3c2cccc3	QPD	(2r)-2-[2-(1h-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide
+C/C(=C/c1ccccc1)/C(=O)OC	QPE	methyl (~{z})-2-methyl-3-phenyl-prop-2-enoate
+c1ccc(cc1)C[C@@H](C(=O)O)NC=O	QPH	n-formyl-l-phenylalanine
+C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)OP(=O)(O)O	QPJ	2-deoxy-3,5-di-o-phosphono-d-erythro-pentitol
+c1cc(c(c(c1F)O)F)Cl	QPK	3-chloranyl-2,6-bis(fluoranyl)phenol
+CC1(CC(CC(N1[O-])(C)C)N)C	QPM	4-amino-2,2,6,6-tetramethylpiperidin-1-ol
+CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1	QPN	1-[1-(3-fluorophenyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
+Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)c4ccccc4	QPP	n-(5-methyl-1h-pyrazol-3-yl)-2-phenylquinazolin-4-amine
+CC(=O)c1cn(c2c1cccc2)C	QPR	1-(1-methylindol-3-yl)ethanone
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO	QPS	beta-acarbose
+C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+]	QPT	carboplatin
+CC1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC[C@@H]([C@H]3O)O)CO)C)O	QPU	1,5-anhydro-4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s,6r)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-d-glucopyranosyl)-d-glucitol
+CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl	QPV	3-chloro-n-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide
+CCCN(C[C@@H]1CCOC1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl	QPW	2-[(3-chlorophenyl)methylamino]-7-methoxy-~{n}-[[(3~{s})-oxolan-3-yl]methyl]-~{n}-propyl-1,3-benzoxazole-5-carboxamide
+c1ccc(cc1)COC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)NCCn4cnc5c4ncnc5N	QPY	benzyl (2s)-2-(4-{[2-(6-amino-9h-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate
+CC1=CC(=O)N(c2c1cc(cc2)S(=O)(=O)NCc3ccccc3)C	QPZ	1,4-dimethyl-2-oxidanylidene-~{n}-(phenylmethyl)quinoline-6-sulfonamide
+c1ccc(cc1)c2c(n(cn2)CC3CCCCC3)c4nc5c(ncnc5s4)N	QQ1	2-[3-(cyclohexylmethyl)-5-phenyl-imidazol-4-yl]-[1,3]thiazolo[4,5-e]pyrimidin-7-amine
+Cc1ccc(c(c1)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O)Cl	QQ2	[(2-chloro-5-methylphenyl){6-[(4-{[(2r)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile
+CCC[C@H](CC(=O)O)N1C(=O)c2c(nc3ccccc3c2C1=O)C	QQ3	(3r)-3-(4-methyl-1,3-dioxo-1,3-dihydro-2h-pyrrolo[3,4-c]quinolin-2-yl)hexanoic acid
+C[C@H](C[C@@H](C[C@H](C[C@@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O	QQ4	hexa vinylpyrrolidone k15
+C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl	QQ5	[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{r},4~{r})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone
+C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O	QQ7	cucurbit[7]uril
+C(CC(=O)N)[C@@H](CNC=O)N	QQ8	(4~{s})-4-azanyl-5-formamido-pentanamide
+CN1CCN(C(=O)C1)c2ccc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(c(n4)N)[N+](=O)[OH-]	QQA	1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one
+c1ccc2c(c1)cccc2C[C@@H](CNC=O)N	QQB	~{n}-[(2~{s})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide
+CC1(c2ccccc2N([C@@H]1c3cccnc3)Cc4ccc(cc4)C(=O)NO)C	QQD	4-{[(2s)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1h-indol-1-yl]methyl}-n-hydroxybenzamide
+C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl	QQE	[2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{s})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
+CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4c1cccc4	QQG	n-hydroxy-4-[(1-methyl-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide
+Cc1cccc(c1C)CC2=CC(=O)N3[C@@H](CSC3=C2[NH+](C)C)C(=O)O	QQH	[(3~{r})-3-carboxy-7-[(2,3-dimethylphenyl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
+CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC	QQJ	n-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1h-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
+CC[C@@H]1CO[C@@](CN1C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl)(C)CCO	QQK	[2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{r})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
+CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)CCCO)c4ccc(cc4)F)OC	QQM	n-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1h-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
+C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)nc(o3)NCc4cccc(c4)Cl	QQN	[2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{r},4~{r})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone
+c1ccc(c(c1)C2=NC(=C(C(=O)N2)O)C(=O)NCCn3cnc4c3ncnc4N)C(F)(F)F	QQP	n-[2-(6-amino-9h-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide
+CC(C)n1c2ccccc2nc1S(=O)(=O)O	QQQ	1-(1-methylethyl)-1h-benzimidazole-2-sulfonic acid
+C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](CF)c4cccc(c4)Cl	QQT	[2-[[(1~{s})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{s})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
+[H]/N=C/CNC(=O)[C@@H]1C[C@H](C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3	QQV	(1r,2r,4r)-n-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide
+C[C@@H]1CN([C@@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl	QQW	[2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{r},5~{r})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N	QQX	[(3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=O)(O4)S)N	QQY	[(3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2-oxidanylidene-2-sulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
+B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)OP(=O)(O)O	QQZ	phosphonooxy-[[[6-(1~{h}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid
+[B-](CCC[C@H]1[C@@H]2C[NH2+]C[C@@H]2C[C@]1(C(=O)O)[NH3+])(O)(O)O	QR1	{3-[(3ar,4s,5s,6ar)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-)
+c1cc(c(cc1C2=NNC(=O)O2)C(F)(F)F)Cl	QR2	5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{h}-1,3,4-oxadiazol-2-one
+[B-](CCC[C@H]1C[C@@H]2[C@H]([C@]1(C(=O)O)[NH3+])CC[NH2+]2)(O)(O)O	QR4	{3-[(3ar,4r,5s,6ar)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-)
+C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C	QR8	(3~{r},4~{s},5~{r},6~{s},7~{s},9~{s},11~{r},12~{s},13~{r},14~{r})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione
+[B-](CCC[C@H]1C[C@@]2(CCCN2)C[C@]1(C(=O)O)N)(O)(O)O	QRA	3-[(5~{s},7~{s},8~{s})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+c1cc(ccc1CN2CCCc3c2ccc(c3)C(=O)N)C(=O)NO	QRB	1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{h}-quinoline-6-carboxamide
+c1cc(c(cc1NC(=S)NCCCCCC(=O)O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O	QRE	2-[3,6-bis(oxidanyl)-9~{h}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid
+CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)O	QRG	n-acetyl-l-alpha-aspartyl-l-methionine
+c1ccc(cc1)P(CCCCCCNC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)(c4ccccc4)c5ccccc5	QRH	(2~{e},4~{e})-5-(1,3-benzodioxol-5-yl)-~{n}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide
+[B-](CCC[C@H]1C[C@@]2(CC[NH2+]C2)C[C@]1(C(=O)O)[NH3+])(O)(O)O	QRJ	{3-[(5r,7s,8s)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-)
+CCCCCC(=O)SC	QRL	s-methyl hexanethioate
+C1CC(=CC(=C1)N)C(=O)O	QRM	3-aminocyclohexa-1,3-diene-1-carboxylic acid
+COc1ccc(cc1O)CCc2nc3ccccc3s2	QRN	5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol
+c1cc(c(cc1CCC2=C(NC(=O)NC2=O)C(=O)O)F)F	QRO	5-[2-(3,4-difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3	QRP	(3s,8as)-3-(1h-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
+COc1cc(cc(c1OC)OC)CCc2nc3ccccc3s2	QRQ	2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N	QRT	[(2~{r},3~{s},4~{r},5~{r})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc(cc1)N(CC[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F)CCO	QRV	2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1h-purin-7-ium
+Cn1c(nnc1c2ccncc2)CNc3cccc(c3)C(=O)NCc4ccccc4C(F)(F)F	QRW	3-({[4-methyl-5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)-n-[2-(trifluoromethyl)benzyl]benzamide
+CCCn1c(nnc1c2ccncn2)CNc3cccc(c3)C(=O)NCc4c(cccc4F)F	QRX	n-(2,6-difluorobenzyl)-3-({[4-propyl-5-(pyrimidin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)benzamide
+c1ccc(cc1)[C@H](C(=O)c2c[nH]c3c2cccc3)NCCc4ccc(cc4)S(=O)(=O)N	QRY	4-(2-{[(1r)-2-(1h-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=S)N	QRZ	[(2~{r},3~{s},4~{r},5~{r})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+C[C@H](CN[C@H](c1ccccc1)C(=O)Nc2ccc(cn2)c3cnn(c3)C)c4ccc(cc4)C#N	QS1	(2r)-2-{[(2s)-2-(4-cyanophenyl)propyl]amino}-n-[5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
+Cc1ccc(c(c1C)C)/C=C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)CCC(C)(C)OC)\C)/C	QS2	9-cis-okenone
+Cc1c(c2ccccc2[nH]1)C(=O)CN3CCCC[C@H]3C	QS4	1-(2-methyl-1h-indol-3-yl)-2-[(2r)-2-methylpiperidin-1-yl]ethan-1-one
+Cc1ccc(o1)C(=O)Nc2ccc(cc2)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC	QS5	n-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)-5-methylfuran-2-carboxamide
+CN1c2c(cnc(n2)N[C@@H]3COC[C@@H]3NC(=O)C=C)C=C(C1=O)c4c(c(cc(c4Cl)OC)OC)Cl	QS7	n-[(3r,4s)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)F	QS8	[[(3~{r},6~{r})-6-fluoranyl-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
+CNC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cccc4)C	QSA	~{n}-methyl-2-[2-[(~{e})-(1-methylquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-yl]ethanamide
+c1cc(c(cc1C(=O)O)Br)O	QSB	3 bromo 4 hydroxybenzoic acid
+C[C@H](c1ccccc1)N	QSC	(1r)-1-phenylethanamine
+Cn1cc(cn1)c2ccc(nc2)NC(=O)[C@@H](c3ccccc3)NCCc4ccc(cc4)C#N	QSD	(2r)-2-{[2-(4-cyanophenyl)ethyl]amino}-n-[5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
+Cc1ccc(c(c1C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)CCC(C)(C)OC)/C)/C	QSE	all-trans okenone
+c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O	QSG	(2r,3r)-n-[(1-{(3s,3ar,6s,6ar)-6-[4-({[(2r,3r)-2,3-dihydroxy-4-oxo-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]amino}butanoyl]amino}methyl)-1h-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1h-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-n'-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]butanediamide (non-preferred name)
+c1c(cc(c(c1Br)O)Br)C(=O)O	QSH	3,5-bis(bromanyl)-4-oxidanyl-benzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)N)N)O)O)N	QSI	5'-o-[n-(l-glutaminyl)-sulfamoyl]adenosine
+Cc1cc(cc(c1OC)/C=C/c2ccc(cc2)Cl)N3C[C@H]([C@H](C3=O)O)O	QSJ	(3r,4r)-1-{3-[(e)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)O)O)OC(F)(F)F	QSK	[(2~{r},3~{r},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methoxyphosphinic acid
+CC(C)c1c2cc(ccc2[nH]c1c3ccc(c(c3)OC)OC)C4CCNCC4	QSM	2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1h-indole
+CS(=O)(=O)NN1C(=O)c2cc(c(cc2NC1=O)[N+](=O)[O-])n3ccnc3	QSN	n-[6-(1h-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl]methanesulfonamide
+COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O	QSO	5,7-dihydroxy-3-(4-methoxyphenyl)-4h-chromen-4-one
+Cc1ncc(c(n1)N)CN2[C@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](CCC(=O)O)(O)P(=O)(O)O	QSP	(4~{s})-4-[(2~{r})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{h}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)O)O)OC(F)(F)F)N	QSQ	[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphite
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)O)O	QSR	(9z,21r,24r,30r,33r,44z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-dip hosphatripentaconta-9,44-diene-21,33-diyl (9z,9'z)di-octadec-9-enoate
+CN1CCN(CC1)c2ccccc2N	QSS	2-(4-methylpiperazin-1-yl)aniline
+CCOC(=O)[C@@]1(N[C@H](C(S1)(C)C)C(=O)O)CS	QST	(2~{s},4~{s})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
+[H]/N=C(\N/N=C(/c1cc2c3c(sc2cc1)ccc(c3)/C(=N/N/C(=N/[H])/NC)/C)\C)/NC	QSV	(2e,2'e)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1e)eth-1-yl-1-ylidene]}bis(n-methylhydrazine-1-carboximidamide)
+c1cc2c(cc1F)S(=O)(=O)CC[C@@H]2C3CC3	QSW	(4~{r})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{h}-thiochromene 1,1-dioxide
+C[NH+](CCCN1C=Nc2c3cc(ccc3[nH]c2C1=O)OC)C4CCCCC4	QSY	n-[3-(8-methoxy-4-oxo-4,5-dihydro-3h-pyrimido[5,4-b]indol-3-yl)propyl]-n-methylcyclohexanaminium
+c1cc2c(cc1F)S(=O)(=O)CC[C@H]2C3CC3	QSZ	(4~{s})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{h}-thiochromene 1,1-dioxide
+CCOC(=O)[C@@]1(N[C@@H](C(S1)(C)C)C(=O)O)CS	QT2	(2~{s},4~{r})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
+B1(n2c(cc(c2Cc3n1c(cc3)CNC(=O)C)C)C)(F)F	QT4	~{n}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide
+Cc1nccn1c2cccc(c2)CN	QT5	[3-(2-methylimidazol-1-yl)phenyl]methanamine
+CC(C)(C)CN([C@@H]1CCS(=O)(=O)C1)C(=O)CCl	QT7	2-chloro-n-(2,2-dimethylpropyl)-n-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide
+CCC(=O)CC(=O)O	QT8	3-oxidanylidenepentanoic acid
+c1ccc(cc1)S(=O)(=O)c2cccc(c2)S(=O)(=O)N	QTA	3-(phenylsulfonyl)benzene-1-sulfonamide
+C[C@@H]1CCCC(C1/C=C/C(=C/C=C/C(=O)C)/C)(C)C	QTB	(3~{e},5~{e},7~{e})-6-methyl-8-[(6~{r})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one
+c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)N	QTD	4-phenoxybenzene-1-sulfonamide
+CC1CCCCC1	QTE	methylcyclohexane
+CCCNS(=O)(=O)c1ccc(cc1C)F	QTG	4-fluoro-2-methyl-n-propylbenzene-1-sulfonamide
+c1ccc(cc1)c2ccc(cc2)C[n+]3ccc(cc3)N4CCCC4	QTH	1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine
+c1cc(ccc1Oc2ccc(c(c2)Cl)F)S(=O)(=O)N	QTJ	4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
+c1ccc(cc1)C[n+]2ccc(cc2)N3CCCC3	QTK	1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium
+c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F	QTM	3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
+Cc1ccnc2c1ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	QTP	3-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-7-methyl-3h-imidazo[4,5-b]pyridine
+C1[C@@H]([C@H](CS1(=O)=O)O)O	QTQ	(3~{r},4~{r})-1,1-bis(oxidanylidene)thiolane-3,4-diol
+O	QTR	oxygen of quinone
+c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)N	QTS	1-[(4-chlorophenyl)methyl]-1h-benzimidazol-2-amine
+Cc1cccc(n1)CN(C)[C@H]2CCCC[C@@H]2N(Cc3cccc(n3)C)CC(=O)O	QTT	2-[[(1~{s},2~{s})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid
+c1cc(sc1)CCC(=O)O	QTU	3-(thiophen-2-yl)propanoic acid
+Cc1nc(cn1Cc2ccc(cc2)F)[N+](=O)[O-]	QTV	1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1h-imidazole
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)c3ccccc3)O)O)N	QTW	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[(~{e})-phenylcarbonyliminomethyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)CCC(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)CNC(=O)CCC(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O	QTY	n-[[1-[(3s,3ar,6s,6ar)-6-[4-[[[4-[[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]methyl]-1,2,3-triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3-triazol-4-yl]methyl]-n'-[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]butanediamide
+CC[C@@H]1[C@]([C@@H]2[C@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)(CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)O	QTZ	mycinamicin ii
+CC[C@@H]1[C@H]([C@@H]2[C@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC	QU2	mycinamicin i
+c1cc(c(cc1C(=C2C=CC(=O)C(=C2)C(=O)O)c3ccc(c(c3)C(=O)O)O)C(=O)O)O	QU4	3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid)
+COC1C=CC(C=C1)S	QU5	4-methoxycyclohexa-2,5-diene-1-thione
+CCCCCCC1=C([C@]2(CC[C@@H]([C@H]2C1)O)C(=C)c3ccccc3)c4ccccc4	QU7	(1s,3as,6as)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
+COc1ccc(cc1)NC=O	QU8	~{n}-(4-methoxyphenyl)methanamide
+C[C@@H](c1cc(nc2c1C=CC[C@@H]2O)C(=O)O)O	QUA	8-hydroxy-4-(1-hydroxyethyl)quinoline-2-carboxylic acid
+C=CCO/N=C/c1ccnc2c1cccc2	QUB	(e)-n-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine
+c1ccc(cc1)Oc2ccc3c(c2)c[n+](c(n3)N)[C@@H](CNC(=O)C4CCCCC4)C5CCCCC5	QUD	2-amino-3-{(1r)-1-cyclohexyl-2-[(cyclohexylcarbonyl)amino]ethyl}-6-phenoxyquinazolin-3-ium
+c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O	QUE	3,5,7,3',4'-pentahydroxyflavone
+c1c(c2c([nH]1)NC(=NC2=O)N)CN[C@H]3C=C[C@@H]([C@H]3O)O	QUG	2-amino-5-({[(1s,4s,5s)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O	QUH	[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{s},5~{s},6~{r})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{r})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate
+c1ccc2c(c1)ncc(n2)C(=O)O	QUI	2-carboxyquinoxaline
+CC(C)COc1cc(nc2c1cccc2N)C(=O)O	QUJ	8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid
+c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN	QUK	8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid
+CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4	QUL	n,n-diethyl-n'-(10h-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine
+C[C@@H](CCCN(CCCl)CCCl)/N=C\1/c2ccc(cc2Nc3c1cc(cc3)OC)Cl	QUM	quinacrine mustard
+CCN(CC)CCC[C@@H](C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl	QUN	quinacrine
+c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@@H]4CC[C@H]([C@H]4O)O	QUO	2-amino-7-deaza-(2'',3''-dihydroxy-cyclopentylamino)-guanosine-5'-monophosphate
+Cc1ccc(cc1n2cc(cc2C(=O)N)c3c4cccn4ncn3)Cl	QUP	1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1h-pyrrole-2-carboxamide
+C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1	QUS	(s)-2-amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CNC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	QUV	n-[(2s,3s,4r)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCO)N	QUW	4-azanyl-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	QUX	n-[(3s,4s,5r)-4,5-dihydroxy-1-[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nonadecan-3-yl]hexacosanamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)NCc2ccccc2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	QUY	(2s,3r,4s,5r,6s)-6-[(2s,3s,4r)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-n-(phenylmethyl)oxane-2-carboxamide
+c1ccc2c(c1)cncn2	QUZ	quinazoline
+c1ccc2c(c1)nc(o2)NC3=NC4(CCCC4)C5=C(N3)CCCC5=O	QV2	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)CO	QV4	4,6-dideoxy-4-{[(1s,4r,5r,6s)-4-{[alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-glucopyranose
+CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl)N4CCNCC4	QV5	5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{h}-indole-2-carboxamide
+Cc1cc(c(cc1Nc2ccc(c3c2C(=O)c4ccccc4C3=O)Nc5c(cc(c(c5C)S(=O)(=O)O)C)C)S(=O)(=O)O)C	QV6	3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid
+c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)O)/N=N/c3c4ccc(cc4cc(c3O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	QV7	3-hydroxy-4-[(e)-{2-sulfo-4-[(e)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid
+c1ccc(cc1)Nc2cc(cc3c2C(=O)c4ccccc4C3=O)S(=O)(=O)O	QV8	9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid
+C([C@@H](C(=O)O)N)S[C@@H]([C@@H](C(=O)O)O)C(=O)O	QVA	(2s,3r)-2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid
+CC(C)Oc1ccccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl	QVB	5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{h}-indole-2-carboxamide
+c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(=O)O	QVE	8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid
+c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)N)Cl	QVK	5-chloranyl-3-phenyl-1~{h}-indole-2-carboxamide
+CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C	QVM	(2e,4e,6e,8e,10e)-11-[(4r)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal
+c1ccc(cc1)CCC[C@@H](CC(=O)C(=O)O)C(=O)O	QVN	3-(3-phenylpropyl)-2-oxoglutarate
+C1C[C@H](C[C@H]1C(=O)C(=O)O)C(=O)O	QVQ	3-(carboxycarbonyl)cyclopentane-1-carboxylic acid
+C/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	QVR	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[(~{e})-prop-1-enyl]oxolane-3,4-diol
+c1cc2c(cc(nc2c(c1)N)C(=O)O)O	QVS	8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid
+CC[C@@H](CC(=O)C(=O)O)C(=O)O	QVT	4-ethyl-2-oxoglutarate
+CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCn2cnc3c2ncnc3N)NC(=O)OCc4ccccc4	QVV	benzyl [2-(4-{[2-(6-amino-9h-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate
+CCC[C@@H](CC(=O)O)C(=O)C(=O)O	QVW	3-propyl-2-oxoglutarate
+c1ccc2c(c1)-c3cncn3[C@H]2[C@@H]4CCOC[C@H]4O	QVY	1,5-anhydro-2,3-dideoxy-3-[(5s)-5h-imidazo[5,1-a]isoindol-5-yl]-d-threo-pentitol
+CC1(c2ccccc2-c3c1cc(cc3)C[C@@H](CC(=O)O)C(=O)C(=O)O)C	QVZ	3-((9,9-dimethyl-9h-fluoren-2-yl)methyl)-2-oxoglutarate
+CCC[C@@H](CC(=O)C(=O)O)C(=O)O	QW2	(4~{s})-2-oxidanylidene-4-propyl-pentanedioic acid
+CC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cccc4)C	QW4	2-[(e)-(1-methylquinolin-4(1h)-ylidene)methyl]-3-(2-oxopropyl)-1,3-benzothiazol-3-ium
+COc1cccc(c1)c2c3cc(ccc3[nH]c2C(=O)N)Cl	QW5	5-chloranyl-3-(3-methoxyphenyl)-1~{h}-indole-2-carboxamide
+C[C@H](c1c(ccc(c1Cl)OC)Cl)n2cnc3c2cc(cc3)c4ccccc4[C@H]5CCCCN5	QW7	1-[(1r)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2r)-piperidin-2-yl]phenyl}-1h-benzimidazole
+Cc1cccc2c1c(c[nH]2)c3[nH]c(cn3)C(=O)c4cc(c(c(c4)OC)OC)OC	QW9	[2-(4-methyl-1h-indol-3-yl)-1h-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
+c1ccc2c(c1)c(c[nH]2)Cn3ccnc3	QWB	3-(imidazol-1-ylmethyl)-1~{h}-indole
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N3CCCC[C@@H]3CCC(=O)c4nccs4	QWE	amino{[(4s)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2r)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]pip eridin-1-yl}pentyl]amino}methaniminium
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CSC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O	QWG	(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-3,4,5-triol (non-preferred name)
+CCC(=O)Nc1cc(nc(c1Br)C)C	QWH	~{n}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide
+c1ccc(cc1)[C@@H]2CCNC3(C2)CCN(CC3)c4c5c([nH]cn5)ncn4	QWI	6-(4-phenyl-1,9-diazaspiro[5.5]undecan-9-yl)-9h-purine
+C#CCSC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O	QWJ	6-s-(prop-2-yn-1-yl)-6-thio-beta-d-glucopyranosyl 1-thio-beta-d-galactopyranoside
+CCC(=O)Nc1ncc2c(n1)CCN(C2)Cc3ccccc3	QWK	~{n}-[6-(phenylmethyl)-7,8-dihydro-5~{h}-pyrido[4,3-d]pyrimidin-2-yl]propanamide
+C[C@H](C1CC1)Nc2nc(nc(n2)N[C@H](C)C3CC3)c4cccc(n4)C(F)(F)F	QWM	n~2~,n~4~-bis[(1r)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
+c1c2c(nc(c1Br)Cl)nn[nH]2	QWN	6-bromanyl-5-chloranyl-1~{h}-[1,2,3]triazolo[4,5-b]pyridine
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O[C@H]5C[C@H]([C@H]([C@H](O5)C)O)O[C@H]6C[C@]([C@@H]([C@H](O6)C)O)(C)O)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O	QWP	mithramycin
+Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)CN4CCCC4	QWQ	4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
+CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N	QWS	4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1h-pyrazole-3-carboxamide
+CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCCCOc4ccc(cc4)c5[nH]nnn5)OC)C	QWT	1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1h-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CCc2ccccc2)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O	QWV	n-[(2s,3r)-3-hydroxy-1-{[6-o-(3-phenylpropanoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
+c12c(c(c(nc1nn[nH]2)Br)Br)Br	QWW	5,6,7-tris(bromanyl)-1~{h}-[1,2,3]triazolo[4,5-b]pyridine
+c1ccc(cc1)c2nnc(s2)NC(=O)c3c(c4cc5c(nc4s3)CCCCC5)N	QWY	3-amino-n-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5h-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
+CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCc4ccc(cc4)OC)OC)C	QWZ	1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one
+c1ccc2c(c1)ncc(n2)C(=O)O	QX	quinoxaline-2-carboxylic acid
+CN1CCC(CC1)Nc2c(c(n3c(n2)c(cn3)c4ccc(c(c4)OC)OC)N)c5ccccc5	QX1	3-(3,4-dimethoxyphenyl)-n~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine
+c1[nH]c2c(c(c(nc2n1)Br)Br)Br	QX2	5,6,7-tris(bromanyl)-1~{h}-imidazo[4,5-b]pyridine
+Cc1ccc2c(c1)C(=CC(=O)O2)O	QX4	4-hydroxy-6-methyl-2h-1-benzopyran-2-one
+Cc1ccc(cc1C(=O)NC[C@@H](C(=O)O)NC(=O)C)S(=O)(=O)F	QX7	n-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-l-alanine
+c1cc(cc(c1)N2CCC2=O)CN3CCN(CC3)Cc4ccc(cc4)Br	QX8	1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one
+C1CCS(=O)(=O)C1	QXB	sulfolane
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)c4cccc(c4)O)O	QXD	5'-deoxy-5'-({[(2r)-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine
+C1CS(=O)(=O)C[C@@H]1O	QXE	3-hydroxythietane-1,1-dioxide
+c1cc(c(c(c1)O)N)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	QXG	5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine
+CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br)CN4CCN(CC4)Cc5ccc(cc5)Br	QXH	~{n}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3cccc4c3cccc4	QXK	2-ethyl-2-methanoyl-~{n}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
+[H]/N=C/1\C(=CC=C[C@]12OO[Fe+2]O2)C(=O)[O-]	QXM	(5r,6z)-5-(hydroperoxy-kappao)-5-(hydroxy-kappao)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)C	QXN	2-ethyl-2-methanoyl-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
+c1ccc(c(c1)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	QXP	5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCc3cc4c(cc3C2)OCO4	QXQ	~{n}-[3-(7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide
+CCC1(C(=O)N(C1=O)c2cccc(c2)CN3CCc4cc5c(cc4C3)OCO5)CC	QXT	1-[3-(7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione
+CSCC[C@H](C(=O)N)N	QXV	d-methioninamide
+c1c2c(nc(c1Br)Br)nn[nH]2	QXW	 5,6-dibromo-1h-triazolo[4,5-b]pyridine
+CCN1CCN(CC1)C(=O)c2ccc(cc2)Cn3c(cc(n3)C)C	QXY	{4-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone
+c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O	QY1	(2r)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)N)CN(C)c3ccccc3)c4ccccc4	QY4	n-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide
+CCC(=O)N(CCC(=O)Nc1ccnc(c1Br)n2ccnc2C)c3ccnc(c3Br)n4ccnc4C	QY5	~{n}-[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-3-[[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-propanoyl-amino]propanamide
+CC(C)c1ccc2c(c1)c(c(n2Cc3ccc(cc3)Cl)CC(C)(C)C(=O)O)SC(C)(C)C	QY7	3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1h-indol-2-yl]-2,2-dimethylpropanoic acid
+c1c[nH]c2c1C(=O)NC(=N2)N	QY8	2-amino-3h,4h,7h-pyrrolo[2,3-d]pyrimidin-4-one
+CC(=O)Oc1ccccc1	QY9	phenyl acetate
+c1cc(ccc1NC(=O)CN2C=CC(=O)NC2=O)S(=O)(=O)N	QYA	2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-n-(4-sulfamoylphenyl)acetamide
+c1ccc(cc1)c2c3c(n[nH]2)N=CNC3=O	QYB	3-phenyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one
+c1ccc(cc1)[C@H]2CN(CCS2)C(=O)Nc3ccc(cc3)[N+](=O)[O-]	QYD	n-(4-nitrophenyl)-2-phenyl-thiomorpholine-4-carboxamide
+c1csc2c1c(ncc2Cl)N	QYE	7-chlorothieno[3,2-c]pyridin-4-amine
+c1cc(ccc1/C=C/2\C(=O)N(C(=N2)[C@H](CCC(=O)N)N)CC(=O)O)O	QYG	{(4e)-2-[(1s)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+COc1ccc(cc1)c2cc(nc(n2)N)N	QYH	6-(4-methoxyphenyl)pyrimidine-2,4-diamine
+Cn1c2c(c(c1Br)C#N)c(ncn2)N	QYK	4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+C[C@]12C[C@@H]([C@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)c5ccc(cc5)OCCN(C)C	QYM	(9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol
+C[C@@H](c1c(cnc2n1nc(c2)Cl)Nc3ccc(cc3)[C@@H](C(F)(F)F)N(C)C(=O)C4CCS(=O)(=O)CC4)OC	QYQ	~{n}-[(1~{s})-1-[4-[[2-chloranyl-7-[(1~{s})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{n}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(CC2)(F)F	QYS	(1s,2s)-2-[(n-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1cc2c(cc1C=C3C(=O)NC(=O)S3)nccn2	QYT	(5e)-5-(quinoxalin-6-ylmethylene)-1,3-thiazolidine-2,4-dione
+CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C	QYV	4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-n-ethyl-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide
+Cc1nc(c2c(c([nH]c2n1)c3cccnc3)C#N)N	QYW	4-azanyl-2-methyl-6-pyridin-3-yl-7~{h}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cccc4C)C)S(=O)(=O)CC)C	QYY	4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-n-ethyl-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide
+Cc1ccc(o1)/C=C/2\c3ccccc3NC2=O	QYZ	(3~{e})-3-[(5-methylfuran-2-yl)methylidene]-1~{h}-indol-2-one
+CCCCCCc1cccc(c1)Nc2cccc(c2C(=O)O)F	QZ1	2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid
+Cn1cc(cn1)c2cc([nH]n2)C(=O)O	QZ2	3-(1-methylpyrazol-4-yl)-1~{h}-pyrazole-5-carboxylic acid
+CCc1cc2c(c(n1)C)C(=C(C(=O)N2)C#N)c3ccc(cc3)NS(=O)(=O)C	QZ3	n-[4-(3-cyano-7-ethyl-5-methyl-2-oxo-1h-1,6-naphthyridin-4-yl)phenyl]methanesulfonamide
+C1CCC(CC1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OC3CCC(CC3)(F)F	QZ4	4,4-difluorocyclohexyl [(2s)-3-cyclohexyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OC2CCC(CC2)(F)F	QZ7	n~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+Cc1c2c(n[nH]1)NC(=O)C=C2c3ccccc3	QZ8	3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
+C[C@@H]([C@H](CCl)O)N	QZA	(2r,3s)-3-amino-1-chlorobutan-2-ol
+CCC1(COCOC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	QZD	n~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+c1cc(c2c(c1)C3=C(CC2)C(=C(C(=O)N3)C#N)c4ccc(cc4)C(=O)O)c5c[nH]nc5	QZE	4-[3-cyano-2-oxo-7-(1h-pyrazol-4-yl)-5,6-dihydro-1h-benzo[h]quinolin-4-yl]benzoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OC2CCC(CC2)C(C)C	QZG	n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-l-leucinamide
+CC(C(C1N=C(/C(=C/CCCO)/S1)C(=O)O)C(=O)O)O	QZH	(5~{z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{h}-1,3-thiazole-4-carboxylic acid
+CCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	QZJ	n~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O	QZK	{[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid)
+CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccc(c(c2)OC)O)NC(=O)OCc3ccccc3	QZM	2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{n}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide
+CCCCCCCCCC1=Nc2cc(ccc2C(=O)N1N)Cl	QZN	3-amino-7-chloro-2-nonylquinazolin-4(3h)-one
+CC(C)Cc1ccc(cc1)C(=O)O	QZP	4-(2-methylpropyl)benzoic acid
+CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@H]5[C@@]4(C=C[C@@H](C5(C)C)O)C)C)C(=O)O	QZQ	betulinic acid
+c1cc(cc(c1)OCCCn2cc(nn2)CCOc3cc(nc4c3cccc4N)C=O)CNC(=O)c5ccc(cc5)S(=O)(=O)N	QZS	~{n}-[[3-[3-[4-[2-(8-azanyl-2-methanoyl-quinolin-4-yl)oxyethyl]-1,2,3-triazol-1-yl]propoxy]phenyl]methyl]-4-sulfamoyl-benzamide
+C1CCS(=O)C1	QZT	thiolane 1-oxide
+Cc1ccc2c(c1)c(c(o2)C#Cc3ccc(cc3)C(=O)NCCOCCOCCNC(=O)c4ccc(cc4)C#Cc5c(c6cc(ccc6o5)C)CC(=O)O)CC(=O)O	QZV	2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid
+Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)OCc4ccsc4	QZW	4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
+CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)Oc4ccccc4	QZY	3-{[benzyl(ethyl)carbamoyl]amino}-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid
+COc1cccc(c1)C2=CC(=C(C(=O)N2)C#N)c3ccc(cc3)C(=O)O	QZZ	4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1h-pyridin-4-yl]benzoic acid
+c1ccc(cc1)[C@H](CO)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	R	2'-deoxy-n6-(r)styrene oxide adenosine monophosphate
+c1ccc(cc1)C[C@@H]([C@H](CN[C@@H](Cc2ccccc2)C(=O)O)O)N	R00	n-[(2s,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-phenylalanine
+C[N@@](CC=C)Cc1ccc(cc1)c2ccc(cc2)C(=O)c3ccc(cc3)Br	R01	(4'-{[allyl(methyl)amino]methyl}-1,1'-biphenyl-4-yl)(4-bromophenyl)methanone
+C=CC[N@@](C[C@H]1C[C@@H]1COc2ccc(cc2)C(=O)c3ccc(cc3)Br)C4CC4	R02	{4-[((1s,2s)-2-{[allyl(cyclopropyl)amino]methyl}cyclopropyl)methoxy]phenyl}(4-bromophenyl)methanone
+Cn1c2cc(ccc2c(n1)c3ccc(cc3)Br)OCCCCCC[N@](C)CC=C	R03	allyl-{6-[3-(4-bromo-phenyl)-1-methyl-1h-indazol-6-yl]oxy}hexyl)-n-methylamine
+Cn1c2cc(c(cc2c(n1)c3ccc(cc3)Br)F)OC\C=C\C[N@](C)CC=C	R04	(2e)-n-allyl-4-{[3-(4-bromophenyl)-5-fluoro-1-methyl-1h-indazol-6-yl]oxy}-n-methyl-2-buten-1-amine
+Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)NCc4c(cccc4F)F	R05	5-(2-azanylpyridin-4-yl)-~{n}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+C[C@H](C(F)(F)F)N1CN(N2C=CC(=O)C(=C2C1=O)O)[C@H]3c4ccccc4CSc5c3cccc5	R07	1-[(11s)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2r)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1h-pyrido[2,1-f][1,2,4]triazine-4,6-dione
+Cc1cc(ccc1c2nc(c(n2C)c3ccc4cc(ccc4c3)OC)c5ccncc5)S(=O)(=O)C	R09	4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1h-imidazol-4-yl}pyridine
+CCCCC1=C(N[C@H](S1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O	R0B	(2~{r})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid
+c1ccc2c(c1)OC[C@@H](O2)C(=O)N3CCC4(CC3)C=Nc5c4cc(cc5)Cl	R0D	(5-chloro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)[(2r)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone
+CC(C)C[C@@H]1C=C[C@H]2CCN[C@@H]2C(=O)N1CC(=O)O	R0E	prom-17
+c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3)C#N)N4CCC[C@H](C4)N	R0G	4-({(1r,2r)-2-[(3r)-3-aminopiperidin-1-yl]-2,3-dihydro-1h-inden-1-yl}oxy)benzonitrile
+c1cc(nc2c1n(c(n2)CN3c4cnccc4N(C3=O)C5CC5)CCCC(F)(F)F)Cl	R0J	3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1h-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one
+CC/C=C/C=C/C(=O)O	R0M	(2e,4e)-hepta-2,4-dienoic acid
+C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)[S@](C3CC3)(N)O)C(F)(F)F)O	R0N	roniciclib
+CS(=O)(=O)CCCn1c2ccncc2cc1CN3c4cnccc4N(C3=O)C5CC5	R0P	1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1h-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one
+COc1ccc(cc1OC)N2c3ccncc3N(C2=O)Cc4cc5cc(ccc5n4CCCC#N)Cl	R0S	4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3h-imidazo[4,5-c]pyridin-3-yl]methyl}-1h-indol-1-yl)butanenitrile
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N	R0Y	(2e)-1-[(1s)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one
+COc1cccc2c1Nc3c(cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC)C2=O	R0Z	elacridar
+C([C@H]([C@H]([C@H](C(=O)O)O)O)O)OP(=O)(O)O	R10	5-o-phosphono-d-ribonic acid
+[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)Cn4c(nc5c4cccc5)C)\N	R11	4-{[1-methyl-5-(2-methyl-benzoimidazol-1-ylmethyl)-1h-benzoimidazol-2-ylmethyl]-amino}-benzamidine
+Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)O	R12	(2e,4e,6e,8e)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
+C\C(=C/C(=O)O)\C=C\C=C(/C)\c1ccc2c(c1)C(CCC2(C)C)(C)C	R13	3-methyl-7-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl) -octa-2,4,6-trienoic acid
+CCN(CC)CCC(=O)Nc1cccc(c1)c2cn(nn2)c3ccc4cc5ccc(cc5nc4c3)n6cc(nn6)c7cccc(c7)NC(=O)CCN(CC)CC	R14	n,n'-[acridine-3,6-diylbis(1h-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl	R15	n,n'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide)
+CCCCCCCCCCCCCCCC	R16	hexadecane
+C[N@@](CC=C)C\C=C\COc1ccc2c(c1)occ2c3ccc(cc3)Br	R17	allyl-{4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl}-methyl-amine
+C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O	R18	(17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one
+C[N@@](CCCCCCOc1ccc2c(c1)occ2c3ccc(cc3)Br)CC=C	R19	allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-hexyl-}-methyl-amin
+CC1(C=C(C([N+]1=O)(C)C)CSSC[C@@H](C(=O)O)N)C	R1A	3-{[(2,2,5,5-tetramethyl-1-oxo-2,5-dihydro-1h-pyrrolium-3-yl)methyl]disulfanyl}-d-alanine
+CC1=C(C(N(C1(C)C)[O])(C)C)CSS(=O)(=O)C	R1B	s-[(1-oxyl-2,2,4,5,5-pentamethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate
+c1ccc2c(c1)ccc-3c2C4=N[Rh]56(N=C4c7c3cccc7)([n+]8ccccc8-c9[n+]5cccc9)[n+]1ccccc1-c1[n+]6cccc1	R1C	bis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~n,n']rhodium(4+)
+COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3C(F)(F)F)O	R1D	5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide
+C1[C@@H]([C@H](CC1(F)F)O)O	R1E	trans-4,4-difluorocyclopentane-1,2-diol
+CC1(C(=C(C(N1[O])(C)C)c2ccccc2)CSS(=O)(=O)C)C	R1F	s-[(1-oxyl-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate
+COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)NC(=O)c4cc(c(cc4NC(=O)c5cc6ccccc6nc5)OC)OC	R1H	tariquidar
+CC12C3([Rh]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C	R1N	2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O	R1P	1-o-phosphono-alpha-d-ribofuranose
+CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC)O	R1Q	vincristine
+c1ccc2c(c1)c(cs2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl	R1S	n-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide
+Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O	R1T	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate
+CC(=CCC/C(=C/CN[C@@H](CCC(=O)O)C(=O)O)/C)C	R1V	n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-l-glutamic acid
+CCC(=O)Nc1cc(ccc1C)c2c3c(ccnc3[nH]c2c4ccc(cc4)N5CCN(CC5)C)Cl	R1W	~{n}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide
+C1[C@@H]([C@@H]([C@H](O1)CO)O)O	R1X	1,4-anhydro-d-ribitol
+c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=[N]7C=CC=C1)[N]1=CC=CC=C1C1=CC=CC=[N]81)C=CC=C36	R1Z	delta-[ru(bpy)2dppz]2+
+Cc1cccc(c1)c2c[nH]nn2	R20	4-(3-methylphenyl)-1h-1,2,3-triazole
+c1cc(ccc1CCNC(=O)Cc2ccc(c(c2)Cl)O)S(=O)(=O)N	R21	2-(3-chloro-4-hydroxyphenyl)-n-[2-(4-sulfamoylphenyl)ethyl]acetamide
+Cc1cc(cc(c1)OC2=C(C(=O)NC(=C2CSCc3ccco3)C)I)C	R22	4-(3,5-dimethylphenoxy)-5-(furan-2-ylmethylsulfanylmethyl)-3-iodo-6-methylpyridin-2(1h)-one
+CN(C1CCC(CC1)c2ccc(cc2)CN3CCCCC3)C(=O)Oc4ccc(cc4)Cl	R23	methyl-[4-(4-piperidine-1-ylmethyl-phenyl)-cyclohexyl]-carbaminic acid-(4-chlorophenyl)-ester
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)[N+](=O)[O-]	R24	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{3-[(6-nitroquinolin-4-yl)amino]phenyl}urea
+c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C#N	R26	3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](C/C(=N/NC(=O)C)/[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC	R27	n'-[(3s,4r,5s,8r,9e,12s,14s,15r,16s,18r,19r,26as)-5,19-dihydroxy-3-{(1e)-1-[(1r,3r,4r)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7h-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide
+CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2ncc(c(n2)c3cn(c4c3cccc4)C)C(=O)OC(C)C	R28	propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
+[B-]1(c2cc(ccc2CO1)NC(=O)NCc3ccccc3)(O)O	R29	1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCN4CCN(CC4)C(=O)c5cccc(c5)C#Cc6c(c7cc(ccc7o6)C)CC(=O)O)CC(=O)O	R2A	(2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid
+C1=C([C@@H]([C@H](O1)CO)O)O	R2B	1,4-anhydro-d-erythro-pent-1-enitol
+COc1ccc(c(c1)C(=O)O)Nc2ccc(cc2)Oc3ccccc3	R2C	5-methoxy-2-[(4-phenoxyphenyl)amino]benzoic acid
+c1ccc2c(c1)nc3n2c(c(s3)CC(=O)O)c4ccc(cc4)Cl	R2D	[3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
+CCC(=O)N1CCC(CC1)Oc2cc3c(cc2OC)ncnc3Nc4ccc(c(c4F)Cl)Cl	R2E	1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCn5cc(nn5)CO[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)N(CC)CC	R2F	2-[2-[4-[[(2r,3s,4r,5s,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+C1=CO[C@H]([C@@H]1O)CO	R2G	2,5-anhydro-4-deoxy-d-erythro-pent-4-enitol
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)F)O)O	R2H	3-fluoro dicyclotyrosine
+CNCc1c2ccccc2n(n1)C	R2J	n-methyl-1-(1-methyl-1h-indazol-3-yl)methanamine
+C(C(=O)O[Na])C(=O)O[Na]	R2K	(3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium
+Cn1c2ccc(cc2cc1C(=O)O)Br	R2N	5-bromo-1-methyl-1h-indole-2-carboxylic acid
+C(c1c(nsn1)O)[C@H](C(=O)O)N	R2P	(2r)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid
+c1ccc(cc1)c2cn3cc(ccc3n2)c4cccc(c4)C#N	R2Q	3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile
+N[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)N	R2R	ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
+c1ccc2c(c1)cc(s2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl	R2S	n-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-sulfonamide
+[C@@H]([C@@H](C(=O)O)N)([C@@H](C(=O)N)O)O	R2T	beta,gamma-dihydroxyglutamine
+c1cc(cc(c1)O)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	R2V	5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine
+c1ccc(cc1)OCCCNC(=S)Nc2ccc(cc2)S(=O)(=O)N	R2W	4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide
+CC(C)C[C@H](C(=O)N1CC(C[C@H]1C(=O)NCc2ccc3c(c2)ccnc3N)(F)F)NC4CCCCC4	R2Y	n-cyclohexyl-d-leucyl-n-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-l-prolinamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]\1CCC/C1=C/[C@H](COP(=O)(O)O)NC=O	R2Z	n~2~-({(1r,2z)-2-[(2r)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-l-argininamide
+CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3	R30	n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide
+CC(C)[C@H](C[C@@H]([C@H](CN1CCN(C(=O)C1)c2ccccc2OCCCOC)N)O)C(=O)NCC(C)(C)C(=O)N	R31	(2s,4s,5s)-5-amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide
+CC(C)[C@H](C[C@@H]([C@H](CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NCC(C)(C)C(=O)N	R32	(2s,4s,5s)-5-amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)C)NC(=O)CN	R33	n-[(3s)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide
+Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl	R34	5-{[6-chloro-5-(1-methyl-1h-indol-5-yl)-1h-benzimidazol-2-yl]oxy}-n-hydroxy-2-methylbenzamide
+CC(C)(C)[C@@H](CC(=O)O)C(=O)O	R35	(2r)-2-tert-butylbutanedioic acid
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](CC(C)C)NC(=O)c3cccc(c3)N)O)C	R36	4-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](CC(C)C)NC(=O)c3ccc(cc3)N)O)C	R37	3-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide
+C[C@H](CS)C(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)O	R38	(2~{r})-3-(1~{h}-indol-3-yl)-2-[[(2~{s})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)OCCN4CCOCC4	R39	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
+[H]/N=C(/N)\Nc1c2cc(ccc2c(cn1)Cl)S(=O)(=O)N[C@H](C(C)C)C(=O)N3CCOCC3	R3A	1-carbamimidamido-4-chloro-n-[(2r)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC	R3B	(2s,9s,12r)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-24,27-dimethoxy-11,18,22-trioxa-4-azatetracyclo[21.2.2.113,17.04,9]octacosa-1(25),13(28),14,16,23,26-hexaene-3,10-dione
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC/C=C\COCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC	R3E	(2s,9s,12r,20z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)N(CC)CC	R3F	2-[2-[2-[4-[[(2r,3s,4r,5s,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC	R3G	2-[2-(2-{4-[(alpha-d-glucopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+O[Ti](O)(O)O	R3H	tetrakis(oxidanyl)titanium
+CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccnc(c2)OC)NC(=O)OCc3ccccc3	R3J	benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC	R3M	2-[2-(2-{4-[(alpha-d-mannopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+C[C@H]([C@H]([C@@H]1N=C([C@H](S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O	R3N	(2r,5s)-2-[(1s,2r)-1-carboxy-2-hydroxy-propyl]-5-[(2r)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid
+CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl	R3P	2,6-dichloro-n-[1-(propan-2-yl)piperidin-4-yl]benzamide
+c1cc(ccc1/C=C/c2cc(cc(c2)OS(=O)(=O)O)O)O	R3S	resveratrol-3-o-sulfate
+C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O	R3V	(5r,6s)-5-(4-{2-[(3s)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
+C(C(=O)O)Cl	R3W	chloroacetic acid
+c1cc(ccc1/C=C/c2cc(cc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O	R3X	resveratrol-3-o-glucuronide
+Cc1cc(cc(c1O[C@@H]2CNC[C@@H]2F)c3ccnc4c3sc(c4)CN5C(=O)CCC5=O)Cl	R3Y	1-{[7-(5-chloro-2-{[(3r,4s)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1h-pyrrole-2,5-dione
+c1ccc2c(c1)OC[C@@H](O2)CN3c4ccsc4C(=O)N(C3=O)O	R3Z	1-[(2s)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1h,3h)-dione
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1	R40	n~2~-[(benzyloxy)carbonyl]-l-arginine
+c1cnc(cc1c2cc(cc3c2O[C@H](C3)C(=O)N4CCNCC4)Cl)N	R41	[(2r)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
+c1cnc2cc(sc2c1c3cc(cc4c3O[C@H](C4)C(=O)N5CCNCC5)Cl)CN6C(=O)CCC6=O	R44	1-({7-[(2r)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1h-pyrrole-2,5-dione
+c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	R45	n-{(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-alpha-glutamyl-l-al pha-glutamine
+C[N@@](CCCCCCOc1ccc(cc1)c2c3ccc(cc3sn2)Br)CC=C	R46	n-{6-[4-(6-bromo-1,2-benzisothiazol-3-yl)phenoxy]hexyl}-n-methyl-2-propen-1-amine
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	R47	n-[(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-l-alpha-glutamyl-l-alpha-glutamine
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N	R48	1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4ccnc5c4cc(cc5)N	R49	1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea
+CN(C)c1cccc(c1)OCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24	R4A	bis[1h,1'h-2,2'-bipyridinato(2-)-kappa~2~n~1~,n~1'~]{3-[4-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~n~1~,n~10~)butoxy]-n,n-dimethylanilinato(2-)}ruthenium
+C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)c2ccc(cc2)c3cccc(c3)Cl)CP(=O)(c4ccc(cc4)Br)O	R4B	n-[(2s)-3-[(r)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-l-a lanyl-l-alaninamide
+C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)c2ccccc2)CP(=O)(c3ccc(cc3)Br)O	R4C	n-{(2s)-3-[(r)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-alanyl-l-alaninamid e
+C[C@H](Cc1ccccc1)C(=O)N2CCC(CC2)(CN3C=Nc4ccccc4C3=O)O	R4D	3-({4-hydroxy-1-[(2r)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3h)-one
+CCCCCC1=Cc2c(cccc2N)C(=O)N1	R4E	5-amino-3-pentylisoquinolin-1(2h)-one
+c1cc(ccc1/C=C/c2cc(cc(c2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O	R4G	resveratrol-4'-o-glucuronide
+CC1(C(NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCc4ccc(cc4)c5[nH]nnn5)OC)C	R4H	2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one
+c1cnc2cc(sc2c1c3cc(cc4c3O[C@H](C4)C(=O)N5CCNCC5)Cl)[C@@](CO)(CCl)O	R4J	[(2r)-5-chloro-7-{2-[(2s)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
+c1ccc2c(c1)[C@@](C(=O)N2)([C@@H]([C@@H](C(=O)O)N)O)O	R4K	(2s,3r)-2-azanyl-3-hydroxy-3-[(3s)-3-hydroxy-2-oxo-1h-indol-3-yl]propanoic acid
+CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCCC7	R4L	11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+C[C@@H]1CC/C(=C\C(=C/CC/C(=C/C(=O)O)/C)\C)/c2c1cccc2	R4M	(2e,6z,8e)-3,7-dimethyl-8-[(4r)-4-methyl-3,4-dihydronaphthalen-1(2h)-ylidene]octa-2,6-dienoic acid
+c1ccc2c(c1)OC[C@@H](O2)CNC(=O)c3ccc4c(c3)N(C(=O)CS4)Cc5cccc(c5)Cl	R4N	4-[(3-chlorophenyl)methyl]-n-[[(3s)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide
+Cc1ccccc1c2ccc(cc2)c3cc(c4c(c3)nnn4C)C(=O)O	R4P	1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1h-benzotriazole-7-carboxylic acid
+C[C@H](C(=O)N1CCC[C@H](C1)C(=O)O)Oc2ccc3c(c2)OC(=O)C=C3c4ccc(cc4Cl)F	R4Q	(3~{r})-1-[(2~{r})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
+c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)C5CC5)F	R4S	n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)S)O[C@H]([C@@H]5F)n6cnc7c6ncnc7[NH3+])S)F)[NH3+]	R4T	9-[(1~{r},3~{r},6~{r},8~{r},9~{r},10~{r},12~{r},15~{r},17~{r},18~{r})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine
+C[C@@H]1[C@H]2[C@@]1(CN(C2)c3c(cnc(n3)Nc4cnn(c4)C)F)NC(=O)[C@@H]5CC5(F)F	R4V	(1s)-2,2-difluoro-n-[(1s,5r,6r)-3-{5-fluoro-2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
+CCS(=O)(=O)C	R4W	1-methylsulfonylethane
+c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@H]5C[C@@H]5C#N)F	R4Y	(1s,2s)-2-cyano-n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
+CCc1cc2c(c(c1)C(=O)O)C=CC2=O	R4Z	6-ethyl-1-oxidanylidene-indene-4-carboxylic acid
+C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O	R51	5-o-phosphono-d-ribose
+C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O	R52	5-o-phosphono-d-ribose
+C[C@H]1CCCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O	R54	(5r,6s)-5-(4-{2-[(2s)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
+CC1(CCN(CC1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C	R55	n-[4-({4-[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide
+c1ccc(cc1)CS(=O)(=O)N[C@@H]2CC[C@H]3N(C2=O)[C@@H](CS3)C(=O)NCCCNC(=N)N	R56	5-oxo-6-phenylmethanesulfonylamino-hexahydro-thiazolo[3,2-a]pyridine-3-carboxylic acid (3-guanidino-propyl)-amide
+COc1ccc(cc1F)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O	R57	3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+CCOc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O	R58	3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+C[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O	R59	(2~{s})-3-(1~{h}-indol-3-yl)-2-[[(2~{s})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid
+CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R5A	ruthenium wire, 5 carbon linker
+CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R5B	ruthenium wire wc5
+c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@@H]5C[C@H]5C#N)F	R5D	(1r,2r)-2-cyano-n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
+c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO	R5G	n-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1h-indole-6-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N=CNC2=O	R5I	inosine diphosphate ribose
+[O][W]1234O[Ni]56O[W]78(O1)(O2[Si]91O2%10[W]%11%12(O5)(O[W]5%13(O6)(O96[W]9(O7)(O5)(O[W]57(O8)(O11[W]8(O3)(O5)(O[W]2(O4)(O%11)(O[W]%102(O%12)(O[W]6(O%13)(O9)(O[W]1(O8)(O7)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	R5N	ni-substituted keggin silicotungstate
+C(C(C(C(C=O)O)O)O)OP(=O)(O)O	R5P	ribose-5-phosphate
+[O][W]1234O[Co]56O[W]78(O1)(O2[Si]91O2%10[W]%11%12(O5)(O[W]5%13(O6)(O96[W]9(O7)(O5)(O[W]57(O8)(O11[W]8(O3)(O5)(O[W]2(O4)(O%11)(O[W]%102(O%12)(O[W]6(O%13)(O9)(O[W]1(O8)(O7)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	R5Q	co-substituted keggin silicotungstate
+c1cc(ccc1C2CCNCC2)Nc3nc(c4c(n3)NCC4)c5cnn(c5)CCC#N	R5S	3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)n2cccn2)C(=O)NO	R5T	tert-butyl {(1s)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}carbamate
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)n2cccn2)C(=O)NO	R5V	n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide
+Cc1nnc2n1cccc2NC(=O)CCC3(NN3)CCC#C	R5W	3-(3-(but-3-yn-1-yl)-3h-diazirin-3-yl)-n-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
+c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO	R5X	3-amino-n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}benzamide
+C=CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C5CCNCC5	R5Y	4-[1-(but-3-en-1-yl)-1h-pyrazol-4-yl]-n-[4-(piperidin-4-yl)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+CC1(C(NN(C1=O)C2CCCCCC2)c3ccc(c(c3)O/C=C/c4ccccc4)OC)C	R5Z	1-cycloheptyl-3-[4-methoxy-3-(2-phenylethoxy)phenyl]-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one
+Cc1cnc(nc1Nc2ccc(c(c2)N3CCCS3(=O)=O)F)Nc4cc(c(c(c4)F)C5CCN(CC5)C)F	R61	2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione
+CC1(CCC(c2c1ncc(n2)C#Cc3ccc(cc3)C(=O)O)(C)C)C	R62	4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid
+Cc1c2c(cccc2OCCCNCc3cccnc3)oc1C(=O)c4nccn4C	R64	(1-methyl-1h-imidazol-2-yl)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-methanone
+CS(=O)(=O)CC(=O)C(=O)O	R67	3-(methylsulfonyl)-2-oxopropanoic acid
+CC1(CCCN[C@H]1c2ccc(c(c2F)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C	R68	n-{4-[(4-{3-[(2r)-3,3-dimethylpiperidin-2-yl]-2-fluoro-6-hydroxybenzoyl}benzoyl)amino]azepan-3-yl}isonicotinamide
+CN(C)c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	R69	n-[4-({4-[5-(dimethylamino)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide
+CN(C)c1cccc(c1)OCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R6A	ruthenium wire, 6 carbon linker
+CC(C)N1CCC(c2c1ccc(c2)c3ccc(cc3)/C=C/C(=O)O)(C)C	R6B	(~{e})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid
+CC[C@H](CO)Nc1nc2c(c(n1)OCc3ccccc3)ncn2C(C)C	R6C	(2r)-2-{[6-(benzyloxy)-9-isopropyl-9h-purin-2-yl]amino}butan-1-ol
+c1cc(ccc1Nc2c3nccn3cc(n2)c4cncc(n4)N)N5CCN(CC5)C6COC6	R6D	6-(6-aminopyrazin-2-yl)-n-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine
+CCCCCC[C@](CC)(C(=O)O)N	R6E	(2~{r})-2-azanyl-2-ethyl-octanoic acid
+CCNc1cc2c(cc1C)C(=C3C=C([C@H](C=C3O2)NCC)C)c4ccc(cc4C(=O)O)C(=O)NCCCCCCO	R6G	rhodamine 6g
+CCOc1cn(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)c5ccc(cc5C)F	R6H	~{n}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide
+Cn1cc(cn1)c2cc(c(nc2)N)C(=O)N[C@H]3CCC[C@@H]3OCc4ccc(cc4)c5ccc(cc5)CN6CCN(CC6)C	R6K	2-azanyl-~{n}-[(1~{s},2~{s})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3ccc(c(c3)F)C4CCN(CC4)C	R6M	n-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide
+CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C	R6N	4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
+c1cc(ccc1C2CCNCC2)Nc3nc(c4cc[nH]c4n3)c5cnn(c5)[C@@H](CC#N)C6CCCC6	R6P	(3s)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+c1ccc2c(c1)C3(CCN(CC3)CCc4ccc(cc4)C(F)(F)F)OC(=O)N2	R6Q	1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{h}-3,1-benzoxazine-4,4'-piperidine]-2-one
+Cc1cnc(nc1Nc2ccc3c(c2)N(CC3)S(=O)(=O)C(C)(C)C)Nc4ccc(c(c4)F)C5CCN(CC5)C	R6S	n~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1h-indol-6-yl]-n~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine
+c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O	R6T	9-oxo-9h-fluorene-4-carboxamide
+c1cc(ccc1C2CCNCC2)Nc3nc(c4cc[nH]c4n3)c5cnn(c5)[C@H](CC#N)C6CCCC6	R6V	(3r)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+c1ccc2c(c1)c(c([nH]2)CNCCCCCCNCc3c(c4ccccc4[nH]3)[C@@H]5c6cc(ccc6C(=O)N5)O)[C@@H]7c8cc(ccc8C(=O)N7)O	R6W	(3~{s})-5-oxidanyl-3-[2-[[6-[[3-[(1~{s})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{h}-indol-2-yl]methylamino]hexylamino]methyl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one
+c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4	R6Z	3-(1h-tetrazol-5-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
+COc1ccccc1C2=C(C(=O)NC2=O)Nc3ccc(cc3)C(=O)c4ccccc4	R70	3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione
+C[N@@](CCCCCCOc1ccc(c(c1)F)C(=O)c2ccc(cc2)Br)CC=C	R71	[4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone
+CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C	R72	4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+c1cc2c(cc1CC(=O)N[C@@H](CS)C(=O)NCc3ccncc3)OCO2	R74	n~2~-[(2h-1,3-benzodioxol-5-yl)acetyl]-n-[(pyridin-4-yl)methyl]-l-cysteinamide
+CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br	R75	[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
+CN(C(=O)C[C@@H](CCCCc1ccccc1)CP(=O)(O)O)O	R77	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-6-phenylhexyl]phosphonic acid
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C	R78	4-{[(7r)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+C[N@@](CCCCCCOc1ccc2c(c1)snc2c3ccc(cc3)Br)CC=C	R79	n-(6-{[3-(4-bromophenyl)-1,2-benzisothiazol-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine
+CC1(C(=C(C(N1[O])(C)C)Br)CSS(=O)(=O)C)C	R7A	s-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate
+c1cn2c(n1)C(=CNC2=O)C3CCCCC3	R7B	8-cyclohexyl-6~{h}-imidazo[1,2-c]pyrimidin-5-one
+c1ccnc(c1)CNC(=O)[C@H](CS)NC(=O)[C@@H](c2ccc(cc2)C(F)(F)F)O	R7D	n~2~-{(2r)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-n-[(pyridin-2-yl)methyl]-l-cysteinamide
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)c4cc(c(cc4C3=O)O)O)C=O	R7G	1-[(2s)-2-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6 -dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1h-pyrazole-3-carboxylic acid
+CCOCCn1cc(nn1)CSC[C@H]([C@H]([C@H]2[C@@H]([C@H](CC(O2)C(=O)O)O)NC(=O)C)O)O	R7H	(4~{s},5~{r},6~{r})-5-acetamido-6-[(1~{r},2~{s})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=CNC2=O	R7I	inosine diphosphate ribose
+c1cc(cc(c1)F)c2ccc3c(c2)c(co3)CC(=O)O	R7J	[5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid
+c1cc(c(cc1F)F)CNC(=O)C2=C(c3c(ccnc3N(C2=O)O)CO)O	R7K	~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1,4-bis(oxidanyl)-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
+COc1ccc2c(c1)O[C@](CC2=O)(C(C(F)(F)F)(F)F)O	R7M	(2r)-2-hydroxy-7-methoxy-2-(pentafluoroethyl)-2,3-dihydro-4h-1-benzopyran-4-one
+c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCS(=O)(=O)CCN4CCOCC4)N	R7N	4-azanyl-~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
+Cc1ccc-2c(c1)NC(=O)Nc3c2nc(nc3)Nc4ccc(cc4OC)N5C[C@H](N[C@H](C5)C)C	R7P	2-({4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6h-pyrimido[5,4-d][1,3]benzodiazepin-6-one
+Cc1ccc(cc1)C(=O)C(C)C	R7Q	2-methyl-1-(4-methylphenyl)propan-1-one
+CC(C)([C@@H](CNC(=O)c1cnc(cc1NC2CC2)Nc3ccc4c(c3)scn4)F)O	R7S	6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-n-[(2r)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
+c1cc(sc1)Cc2ccc(cc2)C(=O)O	R7T	4-[(thiophen-2-yl)methyl]benzoic acid
+CN(C)c1cccc(c1)OCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R7U	ruthenium wire, 7 carbon linker
+C[C@H]1C[C@@H](CC[C@H]1C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)C(=O)O	R7V	(1r,3s,4r)-4-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid
+CC(=O)N[C@@H]1C[C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)CN)O	R7Y	(1s,2s,3r,4s,6r)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-d-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-d-glucopyranoside
+CCC[C@H]([C@H](c1cccc(c1C)F)O)NC(=O)c2cccc3c2CC(=O)N3	R7Z	~{n}-[(1~{s},2~{r})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide
+Cc1c(cccc1NC(=O)c2ccc(cn2)CNCCO)c3cccc(c3C)NC(=O)c4ccc(cn4)CNCCO	R81	n,n'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide)
+C[C@@H]1Cc2ccccc2N1S(=O)(=O)c3cc(c(cc3OC)OC)NC(=O)C	R82	n-(2,4-dimethoxy-5-{[(2r)-2-methyl-2,3-dihydro-1h-indol-1-yl]sulfonyl}phenyl)acetamide
+CC(=O)Nc1cc(c(cc1OC)OC)S(=O)(=O)NCc2ccccc2N3CCCCC3	R83	n-{2,4-dimethoxy-5-[(2-piperidin-1-ylbenzyl)sulfamoyl]phenyl}acetamide
+COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)NCc2ccccc2N3CCC(CC3)COC(=O)CCC(=O)O)OC	R84	4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid
+Cn1cc(cn1)c2cc(c(cc2N3CCC(CC3)N(C)C)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	R85	5-chloranyl-~{n}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{n}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
+Cc1cc(nc(n1)n2ccnc2)N3CCN([C@@H](C3)CC(=O)NCCc4ccc(cc4)OC)C(=O)C(C)C	R86	2-{(2r)-4-[2-(1h-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-isobutyrylpiperazin-2-yl}-n-[2-(4-methoxyphenyl)ethyl]acetamide
+C[N@@](C\C=C\COc1ccc(cc1)C(=O)c2ccc(cc2)Br)C3CC3	R88	(4-bromophenyl)[4-({(2e)-4-[cyclopropyl(methyl)amino]but-2-enyl}oxy)phenyl]methanone
+c1cc(c(nc1)N)CO	R8A	(2-aminopyridin-3-yl)methanol
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2ccc3ccc(cc3n2)C(=O)O)O	R8B	methyl 3-o-((7-carboxy) quinolin-2-yl)-methyl)-beta-d-galactopyranoside
+C[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F	R8C	2,2,2-trifluoro-n-[(1r,2s)-1-{[1-(4-fluorophenyl)-1h-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide
+c1cc2c(n[nH]c2nc1)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl	R8D	3-chloro-5-[2-chloro-5-(1h-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile
+c1cc(c(cc1OCc2c3ccc(nc3[nH]n2)N)Oc4cc(cc(c4)Cl)C#N)Cl	R8E	3-{5-[(6-amino-1h-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile
+CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCN(CC6)C)NCCCN7CCN(CC7)C)CCCN8CCN(CC8)C	R8G	2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
+c1ccc(cc1)C[C@H]([C@@H](C(=O)NCc2ccccn2)O)NC(=O)[C@H]3CCC(=O)N3Cc4ccccc4	R8H	(2~{r})-5-oxidanylidene-~{n}-[(2~{r},3~{s})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide
+c1cc(ncc1C(=O)O)N2C(=O)C(=CN2)n3ccnn3	R8J	6-(5-oxo-4-(1h-1,2,3-triazol-1-yl)-2,5-dihydro-1h-pyrazol-1-yl)nicotinic acid
+CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCO)F)F	R8N	2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{n}-methyl-benzenesulfonamide
+C[C@@H](c1ccc(cc1)[N+](=O)[O-])O	R8P	(1s)-1-(4-nitrophenyl)ethan-1-ol
+CCCSc1c(c(c(c(c1F)F)S(=O)(=O)NC)F)F	R8Q	2,3,5,6-tetrakis(fluoranyl)-~{n}-methyl-4-propylsulfanyl-benzenesulfonamide
+COc1ccnc(n1)NN	R8S	2-hydrazinyl-4-methoxypyrimidine
+CC(=O)N[C@H]1[C@@H](CC(C[C@@H]1O)C(=O)O)[C@@H]([C@@H](CO)O)O	R8T	(3~{s},4~{s},5~{r})-4-acetamido-3-oxidanyl-5-[(1~{s},2~{r})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid
+CN1[C@H](c2ccccc2C1=O)O	R8V	(3s)-3-hydroxy-2-methyl-2,3-dihydro-1h-isoindol-1-one
+CC(C)c1cccc2c1[nH]c(c2c3ccc(cc3)Cn4cncn4)C(=O)O	R8W	7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{h}-indole-2-carboxylic acid
+CCN(CCC(=O)O)C(=O)c1cccs1	R8Y	n-ethyl-n-(thiophene-2-carbonyl)-beta-alanine
+CC(C)CC(=O)c1ccc(c(c1)O[C@@H]2CCOC2)OC(F)F	R91	1-[4-(difluoromethoxy)-3-{[(3r)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one
+C[C@@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl	R92	4-chloranyl-~{n}-[(1~{s})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide
+Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc(cc4)c5ccccc5O)Cl	R93	5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1h-benzimidazol-2-yl]oxy}-n-hydroxy-2-methylbenzamide
+c1cc(ccc1C(=O)c2cc(ccc2O)N3CCCCC3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5	R94	n-(4-{[4-(2-hydroxy-5-piperidin-1-ylbenzoyl)benzoyl]amino}azepan-3-yl)isonicotinamide
+CC1(CCCN(C1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C	R96	n-[4-({4-[5-(3,3-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide
+Cc1csc(n1)Cc2ccccn2	R97	2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine
+CC(C)CCNC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)O)O	R99	n-[3-carboxy-2-hydroxy-propionyl]-d-homophenylalanyl-amino-2-methylbutane
+CN(C)c1cccc(c1)OCCCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R9A	ruthenium wire, 9 carbon linker
+c1ccc(cc1)C[C@@H](C(=O)NCC2=CC(=O)Nc3c2cc(cc3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O	R9B	n-[(1s)-1-benzyl-2-[(6-chloro-2-oxo-1h-quinolin-4-yl)methylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carbo
+COc1cccc(c1)C(=O)N2CCCC2	R9G	(3-methoxyphenyl)(pyrrolidin-1-yl)methanone
+Cc1ccc(cc1)NC(C)(C)C(=O)O	R9J	2-methyl-n-(4-methylphenyl)-l-alanine
+Cc1cccc2c1[nH]c(c2c3ccccc3Cl)C(=O)O	R9K	3-(2-chlorophenyl)-7-methyl-1~{h}-indole-2-carboxylic acid
+c1csc(n1)CCC(=O)O	R9M	3-(1,3-thiazol-2-yl)propanoic acid
+c1cc(c(cc1NCC2CCNCC2)Cl)C3=Nc4c5cc(ccc5oc4C(=O)N3)Br	R9P	8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3h)-one
+CN1C[C@H](Oc2ccccc2C1=O)c3cccc(c3)C#N	R9Q	3-[(2~{r})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile
+Cc1ccccc1CC(=O)N	R9S	2-(2-methylphenyl)acetamide
+COc1ccc(cc1OC)C[C@@H]2c3cc(c(cc3CCN2)OC)OC	R9T	(1~{r})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
+c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(C3)O	R9V	(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
+C1CCc2c(c(c3c(n2)CCC3)N)C1	R9W	2,3,5,6,7,8-hexahydro-1~{h}-cyclopenta[b]quinolin-9-amine
+CN1CCCc2c1ccc(c2)CN	R9Y	1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
+CCN(c1cccc(c1)CCC(=O)O)c2ccc3ccccc3n2	RA0	3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid
+c1cc(ccc1NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])S(=O)(=O)N	RA1	2-chloranyl-4-nitro-~{n}-(4-sulfamoylphenyl)benzamide
+CCC(CC)Nc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O	RA2	1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5'-di(hydroxymethyl)pyrrolidin-2-one
+[H]/N=C(\N)/NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)[N+](=O)[O-]	RA4	n-(4-nitrobenzoyl)-l-leucyl-n-(4-{[amino(imino)methyl]amino}butyl)-l-prolinamide
+COc1cccc2c1OC(=O)C(=C2)C(=O)Nc3ccc(cc3)S(=O)(=O)N	RA5	8-methoxy-2-oxidanylidene-~{n}-(4-sulfamoylphenyl)chromene-3-carboxamide
+c1c(sc(n1)N2CCOCC2)CO	RA7	[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
+[H]/N=C(/N)\NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NS(=O)(=O)Cc2ccccc2	RA8	n-(benzylsulfonyl)-l-leucyl-n-(4-{[amino(imino)methyl]amino}butyl)-l-prolinamide
+c1cc(ccc1NC(=O)CSc2nnc(s2)N)S(=O)(=O)N	RA9	2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{n}-(4-sulfamoylphenyl)ethanamide
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O	RAA	alpha-rhamnose
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	RAB	2-(6-amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O	RAC	4-(2-dimethylcarbamoyl-phenylcarbamoyloxymethyl)-benzoic acid
+CCO[C@H]\1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C1\C)C)C)OC)O)\C)C)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C	RAD	c49-methyl rapamycin
+C[C@H]1[C@@H]([C@H](C[C@@H](O1)O)O)O	RAE	alpha-l-olivopyranose
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O	RAF	raffinose
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O	RAH	[(2~{s},3~{s},4~{s},5~{r})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid
+c1cc(c(cc1C(=O)O)NC(=N)N)N2C(=O)CCC2(CO)CO	RAI	1-(4-carboxy-2-guanidinopentyl)-5,5'-di(hydroxymethyl)pyrrolidin-2-one
+Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CCCN(C)C	RAJ	n-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide
+CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCN)F)F	RAK	4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{n}-methyl-benzenesulfonamide
+c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O	RAL	raloxifene
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O	RAM	alpha-l-rhamnopyranose
+CC(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O	RAN	phosphoric acid mono-[3,4,6-trihydroxy-5-(1-hydroxy-ethylamino)-tetrahydro-pyran-2-ylmethyl] ester
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC)O)O)O	RAO	methyl 6-deoxy-alpha-l-rhamnopyranoside
+C[C@@H]1CC[C@H]2C[C@@H](C(=CC=C\C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC	RAP	rapamycin immunosuppressant drug
+CCC[C@H]1c2ccccc2C=NN1C(=O)\C=C\c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	RAR	5-(3,4-dimethoxy-5-{(1e)-3-oxo-3-[(1s)-1-propylphthalazin-2(1h)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine
+C=CCN[C@@H]1CCc2c1cccc2	RAS	(1r)-n-(prop-2-en-1-yl)-2,3-dihydro-1h-inden-1-amine
+C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O	RAT	d-arabinaric acid
+C#CCN[C@@H]1CCc2c1cccc2	RAU	rasagiline
+CCC[C@H](C)C1(C(=O)NC(=O)NC1=O)CC	RAV	5-ethyl-5-[(2s)-pentan-2-yl]pyrimidine-2,4,6(1h,3h,5h)-trione
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C	RAW	beta,beta-caroten-4-one
+Cc1ccccc1.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl	RAX	dichloro[(1,2,3,4,5,6-eta)-6-methylbenzene]1,3,5-triaza-7lambda~5~-phosphatricyclo[3.3.1.1~3,7~]dec-7-ylruthenium
+COCCOCC(=O)Nc1cccc(c1)F	RAY	n-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide
+CC1=CC[C@H](CC1)[NH+](C)CCC=C(C)C	RAZ	(1r)-n,4-dimethyl-n-(4-methylpent-3-enyl)cyclohex-3-enaminium
+[Rb+]	RB	rubidium ion
+C([C@H](C([C@H](CO)O)O)O)O	RB0	d-ribitol
+CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)O)c(ncn2)N	RB1	3-[(4-amino-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenol
+COC(C1CC(CCC1NC(C(O)O)O)Cl)O	RB2	2-({4-chloro-2-[hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol
+C[C@H](CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(=O)OC)O	RB3	(1r)-3-{[(1r)-3-methoxy-1-methyl-3-oxopropyl]oxy}-1-methyl-3-oxopropyl (3r)-3-hydroxybutanoate
+CCOC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4	RB4	ethyl 2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxylate
+C([C@H]([C@H]([C@H](C=O)O)O)O)O	RB5	d-ribose
+C1CNC[C@@H]1N2CC=C(C2=O)CC3=C(N[C@H](SC3)[C@@H](C=O)NC(=O)/C(=N\O)/c4nc(sn4)N)C(=O)O	RB6	(2r)-2-[(1r)-1-{[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3r)-pyr rolidin-3-yl]-2,5-dihydro-1h-pyrrol-3-yl}methyl)-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1cc(ccc1Br)CNCCS(=O)(=O)C	RB7	n-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)S(=O)(=O)O	RB8	6-deoxy-6-sulfo-d-fructose
+c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CNCCc3c[nH]c4c3cccc4)c5ccccc5	RB9	n-benzyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide
+COC[C@@H]1CNC[C@@H]([C@H]1c2ccc(cc2)COC(=O)c3ccccc3Cl)OCc4ccc5ccccc5c4	RBC	4-[(4r,5r)-3-(methoxymethyl)-5-(2-naphthylmethoxy)piperidin-4-yl]benzyl 2-chlorobenzoate
+c1nc2c(c(n1)N3C[C@H]([C@@H](C3)O)O)ncn2[C@H]4C[C@@H]([C@H](O4)COP(O)(O)O)O	RBD	(r,r)-n6,n6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate
+c1ccc(cc1)C(=O)O[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)[O-])[NH2+]3	RBE	3-(benzoyloxy)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	RBF	riboflavin
+CC(C)(C)NC(=O)[C@H]1CCCCN1	RBG	(2r)-n-tert-butylpiperidine-2-carboxamide
+CNCc1ccc(cc1)O	RBJ	4-[(methylamino)methyl]phenol
+C([C@H]([C@H](C(=O)CO)O)O)O	RBL	d-ribulose
+[CH]12=[CH]3[Ru]1456([CH]2=[CH]4[CH]5=[CH]63)(Cl)Cl	RBN	benzeneruthenium(ii) chloride
+c1ccc2cc(ccc2c1)CO[C@H]3CNCC[C@@H]3c4ccc(cc4)Br	RBP	(3r,4r)-4-(4-bromophenyl)-3-(2-naphthylmethoxy)piperidine
+CC(C)OCCN1[C@@H](CCN2C1=NC(=CC2=O)N3CCOCC3)C(F)(F)F	RBQ	(8s)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one
+C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccccc3	RBS	n-(4-phenylamino-quinazolin-6-yl)-acrylamide
+Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](\C=C\C=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O	RBT	rifabutin
+c1ccnc(c1)C2=[N](C=CC=C2)[Ru]([N]3=CNC=C3)[N]4=C(C=CC=C4)c5ccccn5	RBU	ruthemium bis(2,2'-bipyridine)-2-imidazole
+c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	RBV	1-(beta-d-ribofuranosyl)-1h-1,2,4-triazole-3-carboxamide
+CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O	RBW	3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{h}-indole-2-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OCC4C([C@H]([C@@H](O4)O)O)O)O)O)O)N	RBY	methylene adp-beta-xylose
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	RBZ	alpha-ribazole-5'-phosphate
+Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc(cc3)Cl)Cl)C	RC0	5-chloranyl-~{n}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
+C[C@@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O	RC1	[3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid
+c1cc(cc(c1)NC(=O)CN)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4	RC2	n-{3-[5-oxo-7-(piperazin-1-yl)-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide
+[B-]1(c2cc(ccc2CO1)NC(=O)Nc3cc(ccc3OC)C)(O)O	RC4	1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea
+CN(C(=O)C[C@@H](CCCc1ccccc1)CP(=O)(O)O)O	RC5	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O	RC7	2-[(4z)-4-[(4-hydroxyphenyl)methylidene]-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4	RC8	(2r)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9h-purin-2-yl}amino)butan-1-ol
+CC1=C(NC(=O)NC1=O)C[C@@]2([C@@H](NC(=O)NC2=O)CO)C	RCA	6-{[4-(hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-yl]methyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O	RCB	4-nitrophenyl beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranoside
+CCc1c(c([nH]c1Cc2c(c3c([nH]2)/C(=C\4/[C@H]([C@@H](C(=N4)/C=C\5/C(=C(C(=O)N5)C=C)C)C)CCC(=O)O)/[C@H](C3=O)C(=O)OC)C)C=O)C	RCC	3-{(2z,3s,4s)-5-[(z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2h-pyrrol-2-ylidene)methyl]-2-[(5r)-2-[(3-ethyl-5-formyl-4-methyl-1h-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1h)-ylidene]-4-methyl-3,4-dihydro-2h-pyrrol-3-yl}propanoic acid
+C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O	RCD	gamma-cyclodextrin
+C[C@@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	RCE	1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-beta-d-gulofuranosyl}pyrimidine-2,4(1h,3h)-dione
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F)C#N	RCF	(2r)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid
+CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(c3c(cc(cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5	RCG	(1r,2r,3s,3ar,8bs)-6,8-dimethoxy-3a-(4-methoxyphenyl)-n,n-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1h-cyclopenta[b][1]benzofuran-2-carboxamide
+Cc1cc(cc(n1)C#Cc2ccc3c(c2)oc4c3C(=O)c5ccc(cc5C4(C)C)NS(=O)(=O)C)C(=O)NC(C)(C)C	RCH	n-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide
+C[C@H](C(=O)O)Cl	RCI	(r)-2-chloropropionic acid
+CC(=O)N[C@H]([C@H](C[C@@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	RCJ	(2~{s},4~{s},5~{r},6~{r},7~{s},8~{r})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid
+c1ccc(cc1)CCn2c3c(cn2)c(nc(n3)SCN4CCOCC4)NCc5ccccc5F	RCK	~{n}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
+CCCCCC[C@H](C\C=C\CCCCCCCC(=O)O)O	RCL	ricinoleic acid
+CN1C(=O)[C@H](NC1=O)Cc2c[nH]c3c2cccc3Cl	RCM	(5r)-5-[(7-chloro-1h-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
+c1cc(c(cc1Cl)c2cn[nH]n2)N	RCN	4-chloranyl-2-(2~{h}-1,2,3-triazol-4-yl)aniline
+c1cc(cc(c1)O)O	RCO	resorcinol
+c1ccc2c(c1)cc3ccccc3c2C(=O)N4CCC(CC4)[N@]5CCC[C@H](C5)C(=O)N6CCOCC6	RCP	(3r)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine
+c1cc(c(cc1Cl)c2[nH]ncn2)N	RCQ	4-chloranyl-2-(1~{h}-1,2,4-triazol-5-yl)aniline
+c1cc(ccc1CNC(=O)C23[CH]4=[CH]5[Re]426([CH]5=[CH]63)(C#O)(C#O)C#O)S(=O)(=O)N	RCS	triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide rhenium(i)
+COC(=O)COc1cccc(c1)CN	RCV	methyl [3-(aminomethyl)phenoxy]acetate
+c1cc(c(cc1Br)c2[nH]cnn2)N	RCW	4-bromanyl-2-(4~{h}-1,2,4-triazol-3-yl)aniline
+CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	RCX	rofecoxib
+CC1(C[C@H](C(N1[O])(C)C)N2C(=O)CCC2=O)C	RCY	(3'r)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione
+c1cc2c(cc1Cl)nc3c(n2)C4=C5C6=[N](C=CC=C36)[Ru+2]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81	RCZ	ru(tap)2(cl-dppz) complex
+c1cc2c(ccn2CCC3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6	RD0	1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole
+c1cc(cc2c1cc(cc2)OP(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O	RD1	{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid)
+c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=O)(O)O	RD2	[(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)
+c1cc(ccc1C(P(=O)(O)O)P(=O)(O)O)OP(=O)(O)O	RD3	{[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid)
+[H]/N=C(\c1cccc(c1)OCC)/N	RD4	3-ethoxybenzene-1-carboximidamide
+c1cc2c(ccn2CCN3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6	RD7	1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]nn4	RD8	radezolid
+COc1cc(c(cc1O)NC(=O)CCc2c(c(cc(c2Cl)O)O)C(=O)OC)O	RDA	methyl 3-chloro-2-{3-[(2,5-dihydroxy-4-methoxyphenyl)amino]-3-oxopropyl}-4,6-dihydroxybenzoate
+C[C@@H]1C[C@@H]2[C@H](O2)\C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1	RDC	radicicol
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)O	RDD	1-beta-d-ribofuranosyl-1,3,5-triazinane-2,4,6-trione
+COc1cc(c(c(c1OC)CCOC(=O)c2cc(c(cc2O)O)Cl)OC)N	RDE	2-(3-amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O	RDF	n-alpha-l-rhamnopyranosyloxy(hydroxyphosphinyl)-l-leucyl-l-tryptophan
+c1cc(oc1)CNC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2	RDG	2'-deoxy-n-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate)
+C=C(C(=O)O)Oc1cccc(c1)C(=O)O	RDH	3-[(1-carboxyvinyl)oxy]benzoic acid
+C[C@@H]1C[C@@H]2[C@H](O2)CCCCC(=O)CC3C(C(=O)CC(=O)C3Cl)C(=O)O1	RDI	radicicol
+CCNC(=O)CSc1nnc(o1)C(C)C	RDJ	n-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
+C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O	RDL	6,7-dioxo-5h-8-ribitylaminolumazine
+CC(=O)N[C@H](CCc1ccccc1)C(=O)O	RDM	(2r)-2-(acetylamino)-4-phenylbutanoic acid
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O	RDP	alpha-d-ribose-1-phosphate
+c1cc(cc2c1cc(s2)S(=O)(=O)[N@]3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO)Cl	RDR	4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-1-{[1-(2-hydroxyethyl)-1h-pyrrolo[3,2-c]pyridin-2-yl]methyl}piperazin-2-one
+CC[C@@H](C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N	RDS	6-sec-butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine
+C[C@@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC	RDT	(1r)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1h)-sulfonamide
+C1CCC(C1)CCC(=O)N2CCNCC2	RDV	3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
+C[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1	RDY	n-[(benzyloxy)carbonyl]-n-methyl-l-alanine
+CC(=CCC/C(=C/COP(=O)(O)O)/C)C	RDZ	geranyl phosphate
+[Re]	RE	rhenium
+c1ccc2c(c1)[C@@](C(=O)N2)(C[C@@H](C(=O)O)N)O	RE0	3-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine
+C[C@@H](NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])[P@](=O)(O)[O-]	RE1	glycyl-l-a-aminopimelyl-e-(d-2-aminoethyl)phosphonate
+c1cc(ccc1CCc2cc(cc(c2)O)O)O	RE2	5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol
+c1ccc2c(c1)[C@](C(=O)N2)(C[C@@H](C(=O)O)N)O	RE3	3-[(3s)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine
+Cc1cc(nc(n1)N)NCc2cccnc2	RE4	6-methyl-n~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
+C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	RE5	l-glutamate tenofovir
+C[C@H](c1ccc(cc1)F)NCCn2cccn2	RE7	(1r)-1-(4-fluorophenyl)-n-[2-(1h-pyrazol-1-yl)ethyl]ethan-1-amine
+c1ccc2c(c1)ccc(c2/N=N/c3ccc(c4c3cccc4)S(=O)(=O)O)O	RE8	4-[(e)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
+C\C(=C/C(=O)O)\C=C\C[C@@]1(CC2=C(C1=C)CCCC2(C)C)C	RE9	6-(2,3,4,5,6,7-hexahydro-2,4,4-trimethyl-1-metyleneinden-2-yl)-3-methylhexa-2,4-dienoic acid
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	REA	retinoic acid
+c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc([nH]n3)C4CC4	REB	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N	REC	cephalosporin
+C(CCC(=O)O)C[C@H](CCS)S	RED	dihydrolipoic acid
+C[N+](C)(C)NCCC(=O)O	REE	2-(2-carboxyethyl)-1,1,1-trimethyldiazanium
+c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O	REF	2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione
+C1CCC(C1)NC(=O)NC[C@@H]2CCCO2	REG	1-cyclopentyl-3-[[(2~{s})-oxolan-2-yl]methyl]urea
+C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2]	REI	tricarbonyl (aqua) (imidazole) rhenium(i)
+C([C@H]1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O	REJ	tricarbonyl (l-serine) rhenium(i)
+C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@H](CC(=O)O)C(=O)O)O	REK	d-aspartate tenofovir
+C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O	REL	d-glucuronic acid
+CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](C4CC4)O)O	REM	nalpha-[(2s)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-n-[(1s,2r,3s)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-l-histidinamide
+C[N@@]1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)OC)O)OC	REN	(s)-reticuline
+[O-][Re](=O)(=O)=O	REO	perrhenate
+C1=C[N]2=C3C(=C1)C=CC4=CC=C[N](=C43)[Re]2(C#O)(C#O)C#O	REP	(1,10 phenanthroline)-(tri-carbon monoxide) rhenium (i)
+CC1=C2C=CC3=C4C2=[N](C=C1)[Re]([N]4=CC=C3C)(C#O)(C#O)C#O	REQ	(1,10 phenanthroline)-(tri-carbon monoxide) rhenium (i)
+C[C@H]1[C@H]([C@@](C[C@@H](O1)O)(C)N)O	RER	vancosamine
+C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O	RES	4-phospho-d-erythronohydroxamic acid
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C	RET	retinal
+CC[C@@H](c1ccccc1)c2cc(c(c(c2O)OC)OC)O	REV	2,3-dimethoxy-5-[(1s)-1-phenylpropyl]benzene-1,4-diol
+Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)C[C@H]4[C@H](N(C4=O)c5ccc(cc5)OC)C(=O)O	REW	(2s,3s)-1-(4-methoxyphenyl)-3-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-4-oxoazetidine-2-carboxylic acid
+C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+]	REX	glycyl-l-alpha-amino-epsilon-pimelyl-d-alanyl-d-alanine
+C[C@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+]	REY	glycyl-l-alpha-amino-epsilon-pimelyl-d-alanine
+C[C@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N	REZ	(2r)-2-amino-7-{[(1r)-1-carboxyethyl]amino}-7-oxoheptanoic acid
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)c3cccs3	RF1	tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
+c1ccc(cc1)c2[nH]c(nn2)c3ccc(cc3)F	RF2	3-(4-fluorophenyl)-5-phenyl-4h-1,2,4-triazole
+c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4	RF3	1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
+Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C	RF4	(2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1h-benzimidazol-1-yl)acetic acid
+C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)OP(=O)(O)O	RF5	2-deoxy-2-fluoro-5-o-phosphono-alpha-d-arabinofuranose
+CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O	RF7	{(2r)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid
+C(CCCCCCCC(=O)O)CCCCCCC(=O)O	RF8	hexadecanedioic acid
+C[C@H](C(=O)O)NCCCC[C@@H](C(=O)O)N	RF9	n~6~-[(1r)-1-carboxyethyl]-l-lysine
+CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F	RFA	delta-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c2-adamantane ruthenium (ii)
+CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F	RFB	lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c2-adamantane ruthenium (ii)
+CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O	RFC	(r)-ibuprofenoyl-coenzyme a
+C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@@H](CCSC)C(=O)O)O	RFE	l-methionine tenofovir
+CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cn(nc3OC)c4cnccn4	RFG	3-methoxy-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1h-pyrazole-4-carboxamide
+Cc1c(c2c(c3c1O[C@](C3=O)(C)O/C=C/[C@@H]([C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C@H]([C@@H](C)/C=C/C=C(\C)/C(=O)N)O)O)OC(=O)C)OC)C(=O)C(=C(C2=O)O)C=NN4CCN(CC4)C)O	RFH	(1e,3s,4r,5s,6r,7r,8r,9s,10s,11e,13e)-15-amino-1-{[(2s)-5,7-dihydroxy-2,4-dimethyl-8-{(e)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=S)(O)O)O	RFJ	2'-o-methyl-5'-o-thiophosphonoguanosine
+Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	RFL	8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide
+c1ccc(cc1)C(=O)Nc2ccc(cc2)N(Cc3ccsc3)C(=O)Cn4c5ccccc5nn4	RFM	n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide
+C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O)C	RFN	(2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2h)-yl)butanamide
+Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CCN(CC5)C)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O	RFP	rifampicin
+[H]/N=C(/c1cccs1)\Nc2cccc(c2)[C@@H](COc3cccc(c3)[N]/C(=N\[H])/c4cccs4)O	RFQ	n-{3-[(1s)-2-(3-{(z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)Br	RFS	br-paroxetine
+CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O	RFT	butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate
+Cc1c(c2c3c(cc(c2O)NC(=O)C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4([C@@H](c3c1O4)O)C)OC)C)OC(=O)C)C)O)C)O)C)C)O)O	RFV	rifamycin sv
+CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O	RFW	n-acetyl-d-glucosamine-6-phosphate
+CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F	RFX	(3r)-n-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)I	RFY	i-paroxetine
+c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	RFZ	5,6-dichloro-1-beta-d-ribofuranosyl-1h-benzimidazole
+CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C	RG1	rhodopin b-d-glucoside
+c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)Cl	RG2	3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@@H](CC#N)C4CCCC4	RG4	(3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+C[C@@H](C(F)(F)F)NS(=O)(=O)c1ccc(c(c1Cl)Cl)c2c(nc(s2)C(=O)NCC(C)(C)O)C(=O)N3CCC(CC3)F	RG7	5-(2,3-dichloro-4-{[(2s)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-n-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
+C[C@H]1/C=C/[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](/C=C/[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)/C)OC)C)OC)OC	RGA	reidispongiolide a
+C[C@H]1\C=C\[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](\C=C\[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC(=O)O)OC)OC)/C)OC)C)OC)OC	RGC	reidispongiolide c
+C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(C2)CCO)CO	RGD	cyclobutyl[(2s,3as,6as)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5h-furo[2,3-c]pyrrol-5-yl]methanone
+[H]/N=C(\CS(=O)C)/NCCC[C@@H](C(=O)O)N	RGE	(2s)-2-amino-5-(2-(methylsulfinyl)acetimidamido)pentanoic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](CO)O)O)O)O)O	RGG	(2r)-2,3-dihydroxypropyl beta-d-galactopyranoside
+CNC(=O)O	RGI	methylcarbamic acid
+CNC(=O)c1cnc2cc(c(cc2c1Nc3ccc(cc3F)Cl)OC)OC	RGJ	4-(4-chloro-2-fluoro-anilino)-6,7-dimethoxy-n-methyl-quinoline-3-carboxamide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N	RGK	2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one
+C(C[C@@H](C=O)N)CNC(=[NH2+])N	RGL	arginal
+CC(=O)N1C[C@@H]2C[C@H]3c4c[nH]cc4C(=O)[C@]2(C1)N3C	RGM	(3as,8s,9as)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1h)-one
+C1[C@H]([C@@H](CC1(F)F)O)O	RGN	(1~{r},2~{r})-4,4-bis(fluoranyl)cyclopentane-1,2-diol
+C(CC(=O)OP(=O)(O)O)[C@H](C(=O)O)N	RGP	gamma-glutamyl phosphate
+C(CNC(=O)[C@@H](CSSC[C@H](C(=O)NCC[C@@H](C(=O)O)N)NC(=O)CC(=O)O)NC(=O)CC(=O)O)[C@@H](C(=O)O)N	RGS	4n-malonyl-cysteinyl-2,4-diaminobutyrate disulfide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)nc(nc2O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N	RGT	2-amino-9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-ribofuranosyl}-9h-purin-6-yl 5-o-phosphono-beta-d-ribofuranoside
+CN1[C@H]2C[C@@H]3[C@]1(CN(C3)C=O)C(=O)c4c2c[nH]c4	RGV	(3as,8s,9as)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3h)-carbaldehyde
+Cc1c(sc-2c1[C@H](N[C@H](c3n2c(nn3)C)CC(=O)NCC45CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C	RGW	~{n}-(1-adamantylmethyl)-2-[(7~{r},9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
+Cc1c2c(on1)[C@@H]3C[C@H]4CNC[C@@]4([C@@H]2O)N3C	RGY	(4r,4as,7as,9s)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
+CN(CCOc1ccc(cc1)C[C@@H]2C(=O)NC(=O)S2)c3ccccn3	RGZ	(r)-rosiglitazone
+[Rh+]	RH	rhodium
+c1ccc(cc1)CSC[C@H]([C@H](CC(=O)O)N)O	RH0	3-amino-5-s-benzyl-2,3-dideoxy-5-thio-d-erythro-pentonic acid
+CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3	RH1	2,5-diaziridin-1-yl-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione
+c1cc(cnc1)c2ccc(s2)CN[C@@H](CCCCN)C(=O)N	RH2	n~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-l-lysinamide
+[Rh+3]	RH3	rhodium(iii) ion
+COC(=O)[C@H](Cc1ccco1)c2ccncc2	RH4	methyl (2r)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate
+[H]/N=C(/c1ccc(cc1OCc2cccnc2)[C@H]3Cc4ccccc4B(O3)O)\N	RH5	4-[(3~{r})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
+COC(=O)N1C[C@@H]2C[C@H]3c4c(nccn4)C[C@]2(C1)O3	RH7	methyl (5as,8as,10s)-8,8a,9,10-tetrahydro-5h-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6h)-carboxylate
+CN1CCN(CC1)c2ccc(cc2F)Nc3nccc(n3)c4cnn5c4cccn5	RH8	~{n}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+C[C@@H](CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)[C@H](C[C@H]1C([C@H](Cc2nc(co2)[C@H](C\C=C\C=C\[C@@H](C[C@@H](CC(=O)O[C@H](C([C@H](Cc3nc(co3)[C@H](C\C=C\C=C\[C@@H](C[C@@H](CC(=O)O1)O)OC)OC)O)(C)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)OC)O)OC)OC)O)(C)C)OC	RH9	rhizopodin
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O	RHA	6-deoxy-1-o-phosphono-alpha-l-rhamnopyranose
+CCN(CC)c1ccc2c(c1)OC3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O	RHB	n-[9-(2-carboxyphenyl)-6-(diethylamino)-3h-xanthen-3-ylidene]-n-ethylethanaminium
+C(CSC[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)[C@@H](C(=O)O)N	RHC	(2s)-2-amino-4-[[(2s,3s,4r,5r)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
+[NH3][Rh+3]([NH3])([NH3])([NH3])([NH3])[NH3]	RHD	rhodium hexamine ion
+Cl[Re](Cl)(Cl)(Cl)(Cl)Cl	RHE	rhenium (iv) hexachloride
+C1CNC[C@@]23CN(C[C@@H]2C[C@@H]1O3)S(=O)(=O)C(F)(F)F	RHG	(3ar,8s,9as)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine
+Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(nc(c4)N)N	RHH	4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(C2)CO)CCO	RHJ	cyclobutyl[(2s,3as,6as)-2-(2-hydroxyethyl)-6a-(hydroxymethyl)hexahydro-5h-furo[2,3-c]pyrrol-5-yl]methanone
+CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N]3=CC=CC=C31	RHL	[n,n-di(pyridin-2-yl-kappan)dodecanamide]rhodium
+C[C@@H]1CNCC[N@@]2C[C@H](N[Rh+2]23(N1)N=C4c5ccccc5-c6ccccc6C4=N3)C	RHM	delta-alpha-rh[2r,9r-diamino-4,7-diazadecane]9,10-phenanthrenequinone diimine
+c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O	RHN	4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
+CN(C)c1ccc2c(c1)OC3=CC(=CCC3=C2c4ccc(cc4C(=O)O)N5C(=O)C=CC5=O)N(C)C	RHO	tetramethylrhodamine-5-maleimide
+C#CCN[C@@H]1CCc2c1cc(cc2)O	RHP	(3r)-3-(prop-2-ynylamino)indan-5-ol
+CCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]\CC)/C=C3O2)C)c4ccccc4C(=O)OCC	RHQ	rhodamine 6g
+CCC(CC)NC(=O)C[C@@H](C(=O)N)C(C)(C)C	RHS	3-(carboxyamide(2-carboxyamide-2-tertbutylethyl))pentan
+Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N	RHT	4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine
+Cn1c(nnc1S)C(F)(F)F	RHU	4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol
+CCOC(=O)CNC(=O)[C@H](C)c1cc(ccn1)C	RHV	ethyl n-[(2r)-2-(4-methylpyridin-2-yl)propanoyl]glycinate
+c1cc2c(cco2)cc1c3cc(nc(c3)N)N	RHW	4-(1-benzofuran-5-yl)pyridine-2,6-diamine
+c1ccc(cc1)[C@H]2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4[C@H](CO6)c7ccccc7	RHX	[2,6-bis(4-phenyl)-1,3-oxazolin-2-yl]rhodium(iii)
+CC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1)O3	RHY	1-[(4as,7as,9s)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5h)-yl]ethan-1-one
+COc1cc(ccc1Cl)c2ccnc(c2)N	RHZ	4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O	RI2	1,5-di-o-phosphono-alpha-d-ribofuranose
+CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C	RI5	(1ar,2ar,3s,6r,6as,8as,8br,9r)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3h)-dione
+CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)c2csc3c2ncnc3N)F	RI8	4-amino-n-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide
+CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)Nc2cc(ncn2)NCCO)F	RI9	n-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N	RIA	2'-o-[(5'-phospho)ribosyl]adenosine-5'-monophosphate
+C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O	RIB	alpha-d-ribofuranose
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	RIC	phosphoric acid mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-3,4-dihydroxy-tetrahydro-furan-2ylmethyl] ester
+CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)S(=O)(=O)N4CCOCC4	RID	(3r,5r)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1h-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
+CC(C)c1c(n(nc1C(=O)N(C)[C@H](C)c2ccccc2)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O	RIE	(3r,5r)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1r)-1-phenylethyl]carbamoyl}-1h-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid
+C[C@H]1\C=C\C=C(/C(=O)NC2=C(C3C(C4=C(C(=C3O)C)O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)COC(=O)CC5=CN(C=CC5)C)C)OC)C)C(=C2N6CCOCC6)O)O)\C	RIF	rifamycin cgp 4832
+CC1(OC[C@H](O1)CO[P@](=O)(CCCCC=C)O)C	RIL	[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate
+C[C@H](C12CC3CC(C1)CC(C3)C2)N	RIM	rimantadine
+C1CCCCCNC(=O)[C@H](CCCC1)N	RIN	3-amino-azacyclotridecan-2-one
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N	RIO	ribostamycin
+C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O	RIP	beta-d-ribopyranose
+CC12=C3([Ir]145C2(=C4(C53C)C)C)C	RIR	[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(iii)
+c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O	RIS	1-hydroxy-2-(3-pyridinyl)ethylidene bis-phosphonic acid
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O	RIT	ritonavir
+c1cc(ccc1N2CCOCC2=O)N3C[C@@H](OC3=O)CNC(=O)c4ccc(s4)Cl	RIV	5-chloro-n-({(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide
+[H]/N=C(\N)/N/C(=N\[H])/Nc1cc(ccc1Cl)C(F)(F)F	RJ1	n-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide
+c1cc2c(cco2)cc1c3ccnc(c3)N4CCNCC4	RJ2	1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine
+c1[nH]c2c(n1)[C@H]3C[C@@H]4CN(C[C@]4(C2)O3)C=O	RJ4	(4ar,7ar,9r)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5h)-carbaldehyde
+COc1ccc(cc1)c2ccnc(c2)N	RJ5	4-(4-methoxyphenyl)pyridin-2-amine
+[H]/N=C(\N)/N/C(=N/[H])/Nc1cc(cc(c1)OC)OC	RJ6	n-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide
+CCOC(=O)[C@H]([C@H](c1cccnc1)O)F	RJ7	ethyl (2s,3s)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate
+c1cc2c(cco2)cc1c3ccnc(c3)N	RJ8	4-(1-benzofuran-5-yl)pyridin-2-amine
+C/C=C/[C@H]1[C@H]([C@@H](C[C@@H](O1)[C@@H](/C=C/C=C(\C)/C[C@@H](C)/C=C(/C)\C=C\[C@@H](CCCC(=O)O)O)O)O)C	RJA	ratjadone a, bound form
+c1ccc2c(c1)CC(C2)(CC(=O)O)C(=O)NCc3nc4ccccc4s3	RJB	2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid
+C[C@H]1CN[C@](CN1C(=O)NCC2CC2)(C)C(=O)NC3CC3	RJD	(3s,6s)-n~3~-cyclopropyl-n~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide
+CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3	RJE	2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7h-purin-8-one
+c1ccc2c(c1)C[N@]3[C@H]4[C@@H]2CC(=O)[C@@]35CNC[C@H]5C4	RJG	(3ar,10r,10ar,11ar)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one
+Cc1cc2ncc(c(n2n1)N3CCOC[C@@H]3COC)NC(=O)Nc4ccc(c(c4)Cl)OC	RJH	1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{s})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea
+c1ccc(cc1)N2C(=O)[C@H](C(=O)NC2=O)C(=O)N	RJI	2,4,6-trioxo-1-phenyl-hexahydropyrimidine-5-carboxamide
+CC[C@@]1(CCN(CCN1)C)C(=O)NCc2ccccc2	RJJ	(5r)-n-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide
+c1cc(c(cc1NC(=O)N[C@@H]2Cc3cc(ccc3OC2)Br)Cl)n4cc(cn4)CN	RJK	1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{r})-6-bromanyl-3,4-dihydro-2~{h}-chromen-3-yl]urea
+c1ccc(cc1)COC(=O)NCc2ccc(cc2)C3=Nc4ccccc4C(=O)N3	RJN	benzyl n-{[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl}carbamate
+c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O	RJP	(1r,5r)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)N)C=C6	RJQ	(3~{s},7~{r},10~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide
+c1c(nnn1C[C@H]2[C@H](C[C@@H]([C@H]([C@@H]2O)O)O)O)CCCOCC34CC5CC(C3)CC(C5)C4	RJR	(1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
+CCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4	RJW	(1r,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
+CCOC(=O)c1csc(n1)C	RJY	ethyl 2-methyl-1,3-thiazole-4-carboxylate
+Cc1nc2ccc(nc2n1CCOc3cccc(n3)Br)c4cc(nc(c4)N)N	RJZ	4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+CC[C@@]1(CC=NCCN1CC)C(=O)NCc2ccccc2	RK1	(7r)-n-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1h-1,4-diazepine-7-carboxamide
+Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccn3)c4cc(nc(c4)N)N	RK2	4-[2-methyl-3-[(2~{r})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+c1cc(cc(c1)C(=O)O)CN2CCCCC2	RK4	3-[(piperidin-1-yl)methyl]benzoic acid
+Cc1c(oc2c1cc(cc2)c3cc(nc(c3)N)N)C	RK5	4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
+CCOC(=O)[C@@H]([C@H](c1ccc(cn1)Br)O)F	RK7	ethyl (2r,3s)-3-(5-bromopyridin-2-yl)-2-fluoro-3-hydroxypropanoate
+Cc1nc2ccc(nc2n1C[C@H](C)Oc3cccc(n3)Br)c4cc(nc(c4)N)N	RK8	4-[3-[(2~{s})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+[H]/N=C(/c1ccccc1)\Nc2ccc(cc2)c3ccc([nH]3)c4ccc(cc4)N/C(=N/[H])/c5ccccc5	RKA	n,n'-(1h-pyrrole-2,5-diyldi-4,1-phenylene)dibenzenecarboximidamide
+c1cc(ccc1c2c[nH]nc2)[C@@](C[NH3+])(c3ccc(cc3)Cl)O	RKD	(2s)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1h-pyrazol-4-yl)phenyl]ethanaminium
+CN[C@]1(CCCCC1=O)c2ccccc2Cl	RKE	(r)-ketamine
+c1cc2c3c4c1N=CC=[N]4[Ru+2]56([N]3=CC=N2)([N]7=C8C(=CC=C7)c9c(nc1cc(c(cc1n9)F)F)C1=CC=C[N]5=C18)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]61	RKF	(11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+)
+COC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1)O3	RKG	methyl (4as,7as,9s)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5h)-carboxylate
+Cc1cc2cc(ccc2o1)c3cc(nc(c3)N)N	RKH	4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
+CCN1C[C@@H]2C[C@H]3c4c(c(no4)C)[C@H]([C@]2(C1)N3C)O	RKJ	(4r,4as,7as,9s)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
+CCCCc1nc2ccc(nc2n1CCCC)c3cc(nc(c3)N)N	RKK	4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
+c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru+2]578([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C=CC=C36	RKL	ru(tap)2(dppz) complex
+Cc1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81	RKM	(11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium
+C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2	RKN	(3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium
+c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81	RKP	lambda-ru(phen)2(dppz) complex
+Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N)N	RKQ	4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+CC(=O)N(CCCC[C@H](C(=O)N[C@@H](CCCCN(C(=O)C)O)C(=O)OC)NC(=O)c1cccc(c1O)O)O	RKS	methyl n~6~-acetyl-n~2~-[(2,3-dihydroxyphenyl)carbonyl]-n~6~-hydroxy-d-lysyl-n~6~-acetyl-n~6~-hydroxy-l-lysinate
+c1cc2c(c3c1nccn3)nccn2	RKT	pyrazino[2,3-f]quinoxaline
+Cn1c(cc(n1)c2ccco2)C(=O)O	RKV	3-(furan-2-yl)-1-methyl-1h-pyrazole-5-carboxylic acid
+CNCC(=O)Nc1cc(cc(n1)N)c2ccc3c(c2)cco3	RKW	~{n}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide
+c1cc2c(cc1C(=O)CCC(=O)O)OCCCO2	RKY	4-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
+Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccc3)c4cc(nc(c4)N)N	RKZ	4-[2-methyl-3-[(2~{r})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+c1ccc2c(c1)CCN(C2)C(=O)c3cc(c(cc3O)O)c4nnc5n4cc(cc5)Br	RL1	[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1h)-yl)methanone
+CC(C)CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)O)O	RL2	n-[3-carboxy-2-hydroxy-propionyl]-l-homophenylalanyl-amino-2-methylbutane
+CN1CCN(CC1)C(=O)c2cc(c(cc2O)O)c3nnc4n3cc(cc4)Br	RL3	[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone
+C[C@@H]1CCCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O	RL4	(5r,6s)-5-(4-{2-[(2r)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
+Cc1c(c[nH]c1C(=O)NC2CC2)Cc3ccc(cc3F)C(F)(F)F	RL7	n-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1h-pyrrole-2-carboxamide
+CCOC(=O)c1c(c(c([nH]1)C)Cc2ccc(cc2)C(F)(F)F)C	RLA	ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1h-pyrrole-2-carboxylate
+c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=CC=CC=[N]71)[N]1=CC=CC=C1C1=CC=CC=[N]81)C=CC=C36	RLB	lambda-[ru(bpy)2dppz]2+
+CN1C[C@H](CC1=O)c2ccccc2	RLG	(4r)-1-methyl-4-phenylpyrrolidin-2-one
+CCC(=O)Nc1nc(c(s1)c2csc(n2)Nc3ccc(cc3)C(=O)O)C	RLI	4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid
+C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O	RLJ	(2s)-3-(4-cyanophenoxy)-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
+CN(C)CCCS(=O)(=O)N1CCN(CC1)c2ccc(c(c2)NC(=O)c3coc(n3)N)Br	RLK	2-azanyl-~{n}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
+C[C@](COc1ccc(c2c1cccc2)C#N)(C(=O)Nc3ccc(c(c3)C(F)(F)F)C#N)O	RLL	(2s)-3-[(4-cyanonaphthalen-1-yl)oxy]-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
+c1cc(ccc1Nc2cc(c(c(c2)Cl)O)Cl)O	RLM	2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol
+C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O	RLP	3-(7-hydroxy-8-ribityllumazine-6-yl) propionic acid
+CN1C[C@H](CC1=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3	RLS	(4r)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
+Cc1nnc(o1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCc3ccc(cc3)F	RLT	n-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide
+CCCNS(=O)(=O)c1ccc(cc1)[C@H]2CC(=O)N(C2)C	RLV	4-[(3r)-1-methyl-5-oxopyrrolidin-3-yl]-n-propylbenzene-1-sulfonamide
+CC1(C(=NNC1=O)c2ccc(c(c2)OC3CCCC3)OC)C	RLW	3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{h}-pyrazol-5-one
+CCN(CC)S(=O)(=O)c1ccc(c(c1)c2ccc(c(c2)OC)OC)[C@@H]3CC(=O)N(C3)C	RLY	n,n-diethyl-3',4'-dimethoxy-6-[(3s)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide
+C[C@H]1CC/C=C(/C[C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](CC(=O)O1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCNC(=O)CCC(=O)Nc5cc(ccc5/N=N\c6cc(c(c(c6)OC)OC)OC)OC)C)\C	RLZ	~{n}-[4-[(4~{r},7~{r},10~{s},13~{s},15~{e},19~{s})-4-(4-hydroxyphenyl)-7-(1~{h}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetrakis(oxidanylidene)-1-oxa-5,8,11-triazacyclononadec-15-en-10-yl]butyl]-~{n}'-[5-methoxy-2-[(~{z})-(3,4,5-trimethoxyphenyl)diazenyl]phenyl]butanediamide
+c1cc(c(nc1CCCCCN2CCOCC2)/C=N/O)O	RM0	2-[(~{e})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol
+CN[C@@H]1CCc2c1cccc2	RM1	n-methyl-1(r)-aminoindan
+C=C\C=N\[C@@H]1CCc2c1cccc2O	RM2	4-hydroxy-n-propargyl-1(r)-aminoindan
+C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O	RM4	beta-l-rhamnopyranose
+CC(C)c1cc(cc(c1NC(=O)NS(=O)(=O)c2cc(co2)C(C)(C)O)C(C)C)Cl	RM5	1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea
+C1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)CC1	RM7	2-[(4-amino-6,7,8,9-tetrahydro-5h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(piperidin-1-yl)ethyl]acetamide
+Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4	RM8	2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1h-indole
+B1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)O	RM9	(1ar,7bs)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
+CN(CC#C)[C@@H]1CCc2c1cccc2	RMA	n-[(1s)-2,3-dihydro-1h-inden-1-yl]-n-methyl-n-prop-2-ynylamine
+Cc1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	RMB	n1-(5'-phospho-alpha-ribosyl)-5-methylbenzimidazole
+CC[C@H](CO)Nc1nc2c(c(n1)[N@@](C)Cc3ccccc3)ncn2C(C)C	RMC	(2r)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9h-purin-2-yl}amino)butan-1-ol
+C1CC2C3[Rh]245678(C1C4CC3)C9C5C6C7(C89)CCN1C(=O)CCC1=O	RMD	[(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium
+Cc1ccnc(c1)Nc2ccc(c(n2)NCCN3CCOCC3)[N+](=O)[O-]	RME	n6-(4-methylpyridin-2-yl)-n2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine
+C1CCc2c(sc3c2c(nc(n3)SCCCN4CCCCC4)N)CC1	RMG	2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
+C1CCN(CC1)CCNC(=O)CSc2nc(c3c4c(sc3n2)CCC4)N	RMJ	2-[(4-amino-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(piperidin-1-yl)ethyl]acetamide
+Cc1c(c(n[nH]1)C)c2ccc(cc2)NC(=O)[C@H](C(C3CC3)C4CC4)NC(=O)c5ccnn5C(C)C	RMK	~{n}-[(2~{s})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{h}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide
+	RML	(11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+)
+c1cc(cc(c1)c2c[nH]nc2)/C=C(\C#N)/C(=O)N	RMM	(2e)-2-cyano-3-[3-(1h-pyrazol-4-yl)phenyl]prop-2-enamide
+c1ccc(cc1)[C@H](C(=O)O)O	RMN	(r)-mandelic acid
+O[As]1O[Mo](=O)S1	RMO	[arsenothionito(2-)-kappa~2~o,s](oxo)molybdenum
+C[P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O	RMP	2'-deoxy-adenosine-5'-rp-monomethylphosphonate
+CC(C)[C@@H](C(=O)N[C@H](Cc1ccc(cc1)NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C(c3ccccc3)(F)F)CC(=O)O)NC(=O)COCCNC(=O)OC(C)(C)C	RMQ	(3~{r})-4-[4-[[(2~{s})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{s})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid
+COc1cc(cc(c1OC)OC)C(=O)NCCc2cccs2	RMR	3,4,5-trimethoxy-~{n}-(2-thiophen-2-ylethyl)benzamide
+C1CCN(CC1)CCCSc2nc(c3c4c(sc3n2)CCC4)N	RMS	2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CC(=C[C@H]2C(=O)O)C(=O)O)O	RMT	(3r,4e)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid
+CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCC3)N	RMV	2-[(4-amino-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(diethylamino)ethyl]acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@H](Cc4cc[n+](cc4)C)c5cccc6c5cccc6)O	RMW	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-2,2-dimethyl-4-[[3-[2-[(1~{r})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O	RMY	ethyl 3-o-[5-(acetylamino)-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranonosyl]-1-thio-beta-d-galactopyranoside
+Cc1ccc(cc1C)N2CCN(CC2)CC[C@H]3c4ccccc4C(=O)N3	RMZ	(3~{s})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
+c1ccc2c(c1)cccc2OC[C@@H](CO)O	RN1	(2r)-3-(naphthalen-1-yloxy)propane-1,2-diol
+CCCC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	RN2	calpeptin
+Cc1c2c(sc1C(=O)NCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C4=O)[C@H]5CCC(=O)NC5=O)-n6c(nnc6[C@@H](N=C2c7ccc(cc7)Cl)CC(=O)OC)C	RN3	methyl {(6s)-4-(4-chlorophenyl)-2-[(8-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}octyl)carbamoyl]-3,9-dimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl}acetate
+c1ccc(cc1)[C@H]2CCc3c(sc4c3c(nc(n4)SCCCN5CCCCC5)N)C2	RN4	(7s)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc5ccsc5c4	RN5	4-{(2s, 4r)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C	RN6	2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(8-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide
+C1CCc2c(c3c(nc(nc3s2)SCC(=O)NCCN4CCOCC4)N)C1	RN7	2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(morpholin-4-yl)ethyl]acetamide
+CCc1c(c(c(s1)C(=O)O)c2ccc(cc2)c3c(c(sc3C(=O)O)CC)C#N)C#N	RN8	3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid)
+Cc1ccc(cc1Cl)NC(=O)CCc2cccc(c2)NC3=CC(=O)N(C3=O)[C@H]4CCC(=O)NC4=O	RN9	3-[3-[[1-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{n}-(3-chloranyl-4-methyl-phenyl)propanamide
+Cc1ccc(cc1)S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(o3)C)S2	RNA	4-methyl-n-{(5e)-5-[(5-methyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CCC=C(C)C)O)C=O	RNB	3-chloro-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cccc5)N	RND	n-[1-(1h-indol-3-ylmethyl)piperidin-4-yl]-l-tryptophanamide
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CN)/C)/C	RNE	(2~{e},4~{e},6~{e},8~{e})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
+C1C[C@@H](N2C(=O)CCCC(=O)N2C1)CC=O	RNG	(6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepin-1-yl)-acetaldehyde fragment
+CCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O	RNH	(2r)-n-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
+C[C@H]1Cc2c(c3c(nc(nc3s2)SCCCN4CCCCC4)N)C=C1	RNJ	(7s)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl	RNK	4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one
+C[C@@H]1CCc2c(sc3c2c(nc(n3)SC[C@@H]4CCCN(C4)C)N)C1	RNM	(7r)-7-methyl-2-({[(3r)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+CC(C)S(=O)(=O)NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C	RNN	n,n'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide
+c1cc(ccc1[C@@H]2CO2)[N+](=O)[O-]	RNO	(r)-para-nitrostyrene oxide
+CC(C)N=C[C@H](COc1cccc2c1cccc2)O	RNP	(1e,2r)-1-(isopropylimino)-3-(1-naphthyloxy)propan-2-ol
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CC[N@@]4CC[C@H](C4)F)NC(=O)CC[N@@]5CC[C@H](C5)F	RNR	3,6-bis(3-(3'-(r)-fluoropyrrolindino)propionamido)acridine
+C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O	RNS	l-rhamnose
+C[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	RNT	l-rhamnitol
+CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCCC3)N	RNV	2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(diethylamino)ethyl]acetamide
+c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)NO	RNW	2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{n}-oxidanyl-ethanamide
+Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6	RNY	n-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
+CC(C)(C)C[NH2+]C[C@H]([C@H](Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3)O	RNZ	2,2-dimethylpropyl-[(2~{r},3~{s})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium
+COc1ccccc1C2CCN(CC2)Cc3cnc(c4c3cc(c(c4)OC)OC)Cc5ccc(c(c5)OC)OC	RO0	1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}isoquinoline
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1CC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)S(=O)(=O)C)NC(=O)COc4cccnc4	RO1	(3s,4as,8as)-n-(tert-butyl)-2-[(3s)-3-({3-(methylsulfonyl)-n-[(pyridin-3-yloxy)acetyl]-l-valyl}amino)-2-oxo-4-phenylbutyl]decahydroisoquinoline-3-carboxamide
+CN1CCN(CC1)c2ccc3c(n2)nc([nH]3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)O	RO2	3-[5-[5-(4-methyl-piperazin-1-yl)-1h-imidazo[4,5-b]pyridin-2-yl]-benzimidazol-2-yl]-phenol
+Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br	RO3	n-{[(2z)-5-bromo-1,3-thiazol-2(3h)-ylidene]carbamoyl}-4-methylbenzenesulfonamide
+CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO	RO4	[[1-[n-hydroxy-acetamidyl]-3-methyl-butyl]-carbonyl-leucinyl]-alanine ethyl ester
+CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br	RO5	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide
+c1ccc(c(c1)N2Cc3cnc(nc3NC2=O)NC4CCC(CC4)O)Cl	RO6	3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)C[C@@H](C(=O)O)OC	RO7	(2s)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C\2/NC=C(S2)Br	RO8	n-{[(2z)-5-bromo-1,3-thiazol-2(3h)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
+Cc1cc(n[nH]1)Nc2cc3ccccc3c(n2)c4cccc(c4)OC	RO9	1-(3-methoxyphenyl)-n-(5-methyl-1h-pyrazol-3-yl)isoquinolin-3-amine
+c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O	ROA	(2r)-3-(3,4-dihydroxyphenyl)-2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
+C1[C@@H]([C@H]([C@H](O1)COP(=O)(O)O)O)O	ROB	1-deoxy-ribofuranose-5'-phosphate
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O	ROC	(2s)-n-[(2s,3r)-4-[(2s,3s,4as,8as)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1h-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide
+c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(F)F	ROD	2,6-dioxo-5-{2-[2-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	ROE	5-[2-(6-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F	ROF	3-(cyclopropylmethoxy)-n-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
+CN1CCC[C@@H](C1)CSc2nc(c3c4c(sc3n2)CCCC4)N	ROG	2-({[(3s)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C	ROI	7,8-dihydro-7,7-dimethyl-6-hydroxypterin
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H](CO4)Cl)O)O)O)N	ROJ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
+c1cc(ccc1N)S(=O)(=O)NC(=O)NCCS	ROK	4-amino-n-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide
+COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3	ROL	rolipram
+CC1([C@H]([C@H]([C@H]([C@@H](O1)O[C@]23C=CC=C2c4cc5ccc4[C@H]3Oc6c(cc(cc6Cl)[C@H](CC(=O)OC[C@@H]5OC(=O)c7cc(cc8c7NC(=O)C(=C)O8)OC)[NH3+])O)O)O)N(C)C)C	ROM	c-1027 aromatized chromophore
+CCC[C@@H](C(=O)O)N	RON	norvaline
+CCC(=O)N	ROP	propionamide
+C[C@@H](CC(=O)O)C(=O)C(=O)O	ROQ	(3~{s})-3-methyl-2-oxidanylidene-pentanedioic acid
+C([C@@H]([C@@H]([C@@H](C=O)O)O)O)O	ROR	l-ribose
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccccc4	ROS	n,n'-tetramethyl-rosamine
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)CCC2=C(NC(=O)NC2=O)C(=O)O	ROU	5-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CC(C)c1cccc(c1NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C)C(C)C	ROV	nevanimibe
+CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O	ROX	roxithromycin
+c1c(c2c(c(n(c2nc1C(=O)N)CC3CCNCC3)C4CC4)Cl)Cl	ROY	3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1h-pyrrolo[2,3-b]pyridine-6-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N	RP1	6-(6-amino-purin-9-yl)-2-thioxo-tetrahydro-2-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N	RP2	(2r,4ar,6r,7r,7as)-6-(6-amino-8-bromo-9h-purin-9-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide
+C1[C@H](O[C@H]([C@@H]1O)O)COP(=O)(O)O	RP3	3-deoxy-5-o-phosphono-beta-d-ribofuranose
+c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O	RP4	(1s,4s,5s)-1,4,5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid
+C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O	RP5	5-o-phosphono-beta-d-ribofuranose
+CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1C([C@@H](CO)O)O)C(=O)O)CC=C)O	RP6	5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-d-glycero-d-galacto-non-2-enonic acid
+CN1CC=C[C@@H](C1)O	RP7	(3s)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol
+c1cc(c2ccc(nc2c1)N)CN	RP8	5-(aminomethyl)quinolin-2-amine
+CC(=CC=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/CO)/C)/C)C	RPA	rhodopinal glucoside
+CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3	RPB	rucaparib
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)O	RPC	cytidine 3',5'-bis(dihydrogen phosphate)
+C(C[C@H](C(=O)O)[N@](CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC1=O	RPD	(c8-r)-hydantocidin 5'-phosphate
+COc1ccccc1COCCCOc2ccc(cc2)N3[C@@H](CNCC3=O)COc4ccc5c(c4)NCCC5	RPF	1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-6-(1,2,,3,4-tetrahydro-quinolin-7-yloxymethyl)-piperazin-2-one
+CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O)O	RPG	(13e,15s)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid
+C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C=O)O	RPH	6-hydroxo-octahydro-indole-2-carbaldehyde
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NP(=O)(O)O	RPI	phospho-arginine
+c1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccc(cc4)F)C(=O)O	RPJ	1-(4-fluorophenyl)-5-[3-(1h-indol-3-yl)propoxy]-1h-pyrazole-4-carboxylic acid
+C(C[C@@H](C(=O)O)[N@](CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC1=O	RPL	(c8-s)-hydantocidin 5'-phosphate
+Cc1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccccc4)C(=O)O	RPM	5-[3-(5-methyl-1h-indol-3-yl)propoxy]-1-phenyl-1h-pyrazole-4-carboxylic acid
+c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-]	RPN	(r)-1-para-nitro-phenyl-2-azido-ethanol
+c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N)N)CO	RPO	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-o-benzyl-2-deoxy-alpha-d-glucopyranoside
+c1nc(c2c(n1)N(NC2I)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	RPP	2-ribofuranosyl-3-iodo-2,3-dihydro-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
+C[C@H]1[C@@H]([C@H]([C@H](c2n1nnn2)O)O)O	RPQ	d-rhamnopyranose tetrazole
+C[C@H]([C@@H](Cc1cccc(c1)C(=N)N)C(=O)OC)NC(=O)c2ccc(cc2)c3cccc(c3)CN	RPR	3-[(3'-aminomethyl-biphenyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-butyric acid methyl ester
+c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)C#[O+])C=CC=C4)C(=O)NC2=O	RPS	phtalimide-ruthenium complex
+Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](\C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CCN(CC5)C6CCCC6)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O	RPT	rifapentine
+c1ccc(cc1)n2c(c(cn2)C(=O)O)NC(=O)CCc3c[nH]c4c3cccc4	RPV	5-{[3-(1h-indol-3-yl)propanoyl]amino}-1-phenyl-1h-pyrazole-4-carboxylic acid
+CCO[C@H]/1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](CC([C@H]([C@H](C(=O)[C@@H](C[C@@H](\C=C\C=C\C=C1/C)C)C)OC)O)C)C)[C@H](C)Cc4ccc(c(c4)OC)O)O)C	RPX	c16-ethoxy-rapamycin,immunosuppressant drug
+CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CC/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	RQ0	2-azanyl-5-[(2~{e},6~{e},8~{e},10~{e},12~{e},14~{e},18~{e},22~{e},26~{e},30~{e},34~{e})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,8,10,12,14,18,22,26,30,34,38-dodecaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione
+c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCCc3c[nH]c4c3cccc4	RQ1	5-[4-(1h-indol-3-yl)butoxy]-1-phenyl-1h-pyrazole-4-carboxylic acid
+c1nc2c(n1CO[C@H](CO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N	RQ2	ganciclovir triphosphate
+Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)O)C	RQ3	2-{4-[(3,5-dimethylanilino)-carbonyl-methyl]-phenoxy}-2-methylpropionic acid
+Cc1c(cc(c(n1)C(F)(F)F)C(=O)O)c2nc(cs2)c3ccccc3	RQ4	6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid
+c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5ccc(c(n5)C(=O)O)c6cnn(c6)Cc7ccncc7	RQ7	6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1h)-yl}-3-{1-[(pyridin-4-yl)methyl]-1h-pyrazol-4-yl}pyridine-2-carboxylic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O	RQA	5'-o-sulfocytidine
+COC(=O)[C@H](Cc1ccc(cc1)F)N	RQD	methyl 4-fluoro-l-phenylalaninate
+Cc1ccc2c(c1)c(co2)CC(=O)O	RQG	(5-methyl-1-benzofuran-3-yl)acetic acid
+CC(C)(C)C(=O)[C@@H](n1ccnc1)Oc2ccc(cc2)Cl	RQH	(1~{s})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one
+C1CN(C1=O)[C@@H](CCCN)C(=O)O	RQJ	deoxyproclavaminic acid
+C[C@H]1C[C@H]2C(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)NC(=C)C(=O)N2C1)C)O)[C@H](C(=O)N)O)C)C	RQK	(2~{r})-2-oxidanyl-2-[(6~{s},9~{s},12~{s},15~{s},17~{s})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide
+CCc1cc(c(cc1F)Oc2ccc(cc2F)C(=O)N)O	RQN	4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide
+COCCN1C(=O)[C@](NC1=O)(CCO)Cc2ccc(cc2)F	RQP	(5r)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
+COc1ccc(cc1)CNC(=O)c2ccc3c(c2)nccn3	RQQ	n-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide
+c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3	RQS	n-{[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide
+CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cccn3	RQT	~{n}-[3-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide
+CC(=O)Nc1ccc(cc1)c2cc(c3ccc(cc3n2)C#N)CN4CCOCC4	RQV	n-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide
+COC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3ccc4c(c3)scn4)Cc5ccccn5	RQW	(1~{s},5~{s},6~{r})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
+CCC/C(=C/CC1=C(C(=O)C(=C(C1=O)OC)N)C)/C	RQX	2-amino-3-methoxy-6-methyl-5-[(2e)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione
+CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cc(cn3)C(=O)N	RQZ	3-[3-(propanoylamino)phenyl]-1~{h}-pyrrolo[2,3-b]pyridine-5-carboxamide
+c1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)N)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	RR1	5-(4,6-diamino-[1,3,5]triazin-2-ylamino)-4-hydroxy-3-(2-sulfo-phenylazo)-naphthalene-2,7-disulfonic acid
+c1cc2c(cc1c3ccc4c(c3)nc5c(n4)C6=CC=C[N]7=C6C8=[N]([Ru]791([N]3=CC=Cc4c3c3c(cc4)C=CC=[N]93)[N]3=CC=Cc4c3c3c(cc4)C=CC=[N]13)C=CC=C58)nc1c(n2)C2=CC=C[N]3=C2C2=[N]([Ru]334([N]5=CC=Cc6c5c5c(cc6)C=CC=[N]35)[N]3=CC=Cc5c3c3c(cc5)C=CC=[N]43)C=CC=C12	RR2	(mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~4'~,n~5'~)[tetrakis(1,10-phenanthroline-kappa~2~n~1~,n~10~)]diruthenium
+CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)[C@@H](C)C(=O)O	RR5	(2~{s})-2-[(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid
+c1cc(c(cc1S(=O)(=O)O)N=Nc2c(cc3c(c2O)ccc(c3S(=O)(=O)O)Nc4ncnc(n4)Nc5ccc6c(c5S(=O)(=O)O)cc(c(c6O)/N=N/c7cc(ccc7O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O	RR6	3-hydroxy-7-(4-{1-[2-hydroxy-3-(2-hydroxy-5-sulfo-phenylazo)-benzyl]-2-sulfo-ethylamino}-[1,2,5]triazin-2-ylamino)-2-(2-hydroxy-5-sulfo-phenylazo)-napthalene-1,8-disulfonic acid
+C1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	RR7	2-deoxy-beta-d-arabino-hexopyranose
+CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl	RR8	(3r,4r)-1-methanesulfonyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+C#CCN	RRA	prop-2-yn-1-amine
+c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3c(cc(c4)CO)N)O)O)N)O	RRB	[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
+CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3	RRC	r-roscovitine
+[C](=O)[Re+]([C]=O)([C]=O)([O])([O])[O]	RRE	fac-tricarbonyl-triaqua rhenium(i)
+CC(C)c1ccccc1c2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O	RRG	(2s)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid
+CC(C)c1ccccc1c2ccc(cc2)O[C@H](Cc3ccccc3)C(=O)O	RRH	(2r)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)Cl)O	RRJ	4-chloro-4-deoxy-alpha-d-galactopyranose
+c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N	RRK	(1r,2r)-1,2-diphenylethane-1,2-diamine
+CCCC[C@H]1CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(\C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C	RRM	(2e,4s,5s,6e,8e)-10-{(2r,3s,6s,8r,9s)-9-butyl-8-[(1e,3e)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
+C1(=C(NC(=O)NC1=O)C(=O)O)Br	RRO	5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(cc(c1)C(=N)N)CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl	RRP	3-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide
+CNc1cc(ccc1C(=O)O)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5	RRQ	4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-2-(methylamino)benzoic acid
+c1cc(sc1\C=C\S(=O)(=O)[N@]2CCN(C(=O)C2)Cc3cc4cnccc4[nH]3)Cl	RRR	4-{[(e)-2-(5-chlorothien-2-yl)vinyl]sulfonyl}-1-(1h-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O	RRS	n4-hydroxy-2-isobutyl-n1-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)-succinamide
+c1ccc(cc1)C[C@H](CS)NC(=O)CC(=O)O	RRT	(r)-retro-thiorphan
+CC(C)(CO)[C@H](C(=O)NCC[C@H](Cc1ccccc1)O)O	RRV	(2r)-2,4-dihydroxy-n-[(3s)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2c(cc(c3)CO)N)O)O)N	RRW	[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C	RRX	(3r)-beta,beta-caroten-3-ol
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CCl)O)O)O)Cl	RRY	1,6-dichloro-1,6-dideoxy-beta-d-fructofuranose
+C=C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CC(=O)O	RRZ	2-[(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid
+c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)CC3(CCOCC3)C(=O)NO	RS1	4-[4-(4-chloro-phenoxy)-benzenesulfonylmethyl]-tetrahydro-pyran-4-carboxylic acid hydroxyamide
+c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)CC(=O)NO	RS2	n-hydroxy-2-[4-(4-phenoxy-benzenesulfonyl)-tetrahydro-pyran-4-yl]-acetamide
+Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	RS3	1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl]-d-ribitol
+CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)O	RS4	7-ethyl-10-hydroxycamptothecin
+CCCCCCC#Cc1ccccc1\C=C\C(=O)O	RS7	(2e)-3-(2-oct-1-yn-1-ylphenyl)acrylic acid
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N	RS8	n-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-l-phenylalanine
+C#CCN[C@H]1CCc2c1cccc2	RSA	n-propargyl-1(s)-aminoindan
+C[C@@H](c1ccccn1)N2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4ccc5c(c4)scn5)COC	RSB	(1s,5s,6r)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
+C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@](CC3=C2C(C4=C(C3)C(=O)C5C=CC6C(=C5C4=O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@]6(O7)C)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@]([C@H]([C@@H](O9)C)O)(C)O)OC)(C)[N+](=O)[O-])[NH+](C)C)O)O)(C)O)OC)OC)(C)O)O	RSD	respinomycin d
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@@](=O)(OP(=O)(O)O)[SeH])O)OC	RSE	[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate
+C1CO[C@H]2C1[C@H](CO2)O	RSF	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-ol
+C1CO[C@@H]2[C@H]1[C@@H](CO2)O	RSG	(3s,3ar,6as)-hexahydrofuro[2,3-b]furan-3-ol
+C([C@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O	RSH	3-deoxy-d-lyxo-hexonic acid
+c1ccc(cc1)[C@H]([C@H](c2ccccc2)N)N	RSK	(1s,2r)-1,2-diphenylethane-1,2-diamine
+CC(=O)N[C@@H](CC[S@](=O)C)C(=O)NC	RSM	(2s)-2-(acetylamino)-n-methyl-4-[(r)-methylsulfinyl]butanamide
+c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)CO	RSN	(3~{s})-3-azanyl-4-[[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid
+c1ccc(cc1)[C@@H]2CO2	RSO	r-styrene oxide
+C1=CN(C(=S)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	RSP	4-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)pyrimidine-2(1h)-thione
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C=O	RSQ	5-formylcytidine 5'-(dihydrogen phosphate)
+CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O	RSS	5-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-ylcarbamoyl)-hexanoic acid
+C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O)N)O	RST	3-amino-2,3,6-trideoxy-alpha-l-ribo-hexopyranose
+c1cc(nc2c1cc(cc2)c3ccsc3)N	RSV	6-(thiophen-3-yl)quinolin-2-amine
+Cc1cc2c3c(c4c5ccccc5n6c4c2[n+](c1)[Ru]678912([C@@H]4[C@H]7C8([C@H]9[C@H]1C24)C(=O)O)Cl)C(=O)NC3=O	RSW	[(1,2,3,4,5,6-eta)-(1s,2r,3r,4r,5s,6s)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5h-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~n~1~,n~12~)ruthenium(1+)
+C1C[C@H]2CC(C[C@H]2NC1)(P(=O)(O)O)P(=O)(O)O	RSX	(4as,7ar)-octahydro-1h-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)
+CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CCl)NC(=O)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C)NC(=O)c2ccccn2)O	RSY	n-[(2r)-1-{[(2s,3s)-5-{[(2r)-1-{[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)NCC#C)O)NC(=O)c3ccccn3	RSZ	n-[(2s)-1-{[(2s,3s)-3-hydroxy-5-oxo-5-{[(2r)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	RT	ribosylthymine-5'-monophosphate
+c1cc(ccc1c2cn(nn2)[C@H]3C[C@H](NC3)C(=O)O)F	RT0	(2s,4s)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid
+C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)N)O)C(=O)O	RT1	(2s)-3-[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+CCc1ccc(cc1)Cc2ccc3c(c2)[C@]4([C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC3	RT2	tofogliflozin
+Cc1ccc2c(c1)CCCN2C(=O)SCC(=O)Nc3ccc(cc3Cl)S(=O)(=O)N	RT3	s-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2h)-carbothioate
+c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)CSC(=O)N2CCCc3c2c(cc(c3)Cl)Cl	RT7	s-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2h)-carbothioate
+CC1CCC(CC1)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)Nc4ccncc4	RT8	nalpha-[(trans-4-methylcyclohexyl)carbonyl]-n-pyridin-4-yl-d-tryptophanamide
+C1CCN2C(C1)C3CCCC4N3[Ru+2]25(N6C4CCCC6)N7CCCCC7C8N5CCC=C8	RTA	(2,2':6',2''-terpyridine)-(2,2''-bipyridine) ruthenium (ii)
+C1=CC=[N]2C(=C1)C3=[N]4[Ru+2]25([N]6=C(C4=CC=C3)C=CC=C6)[N]7=C8C(=CC=C7)C=CC9=CC=C[N]5=C98	RTB	(2,2':6',2'-terpyridine)-(1,10-phenanthroline) ruthenium (ii)
+C(#O)[Re](C#O)C#O	RTC	rhenium (i) tricarbonyl
+c1ccc(cc1)[C@H](C(=O)O)S	RTD	(2r)-phenyl(sulfanyl)ethanoic acid
+Cn1c2cc(ccc2nc1COc3cccc(c3)C(=O)O)Oc4ccc(c(c4)F)Cl	RTE	3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1h-benzimidazol-2-yl]methoxy}benzoic acid
+Cc1cc(c(nc1)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C)C	RTF	3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
+C([C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	RTG	6-o-phosphono-alpha-l-idopyranose
+CC(C)(C)C#Cc1ccccc1c2ccc3c(c2)ccc(n3)N	RTH	6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine
+C[C@@H]1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C	RTJ	(7r)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+C[N+](C)(C)CCCP(=O)O	RTK	trimethyl(3-oxidanylphosphonoylpropyl)azanium
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C	RTL	retinol
+CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N	RTM	3-(2-aminoquinolin-3-yl)-n-cyclohexyl-n-methylpropanamide
+Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NC4CCCCC4	RTN	3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-cyclohexylpropanamide
+c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)C(=O)N	RTP	ribavirin triphosphate
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCC(=O)NCC(=O)N[C@@H](C(=O)N4CCCC[C@H]4C(=O)O2)C5CCCCC5	RTQ	(2r,5s,12r)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone
+c1cc(ccc1CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl)C(=N)N	RTR	4-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCC(=O)NC4(CC4)C(=O)N[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6	RTT	(2'r,5's,12'r)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone
+CC(=O)N[C@@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO	RTV	2-(acetylamino)-1,5-anhydro-2-deoxy-d-mannitol
+COc1ccccc1c2nc3c(n2C4CCCCC4)NC(=NC3=S)N	RTW	2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{h}-purine-6-thione
+CCN(CC)CCCCN1c2ccccc2Oc3c1cc(cc3)Cl	RTX	4-(2-chloro-10h-phenoxazin-10-yl)-n,n-diethylbutan-1-amine
+c1cc(ccc1C[C@@H]([C@H](CBr)O)N)OCCCC(=O)O	RTY	4-{4-[(2s,3r)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid
+C[N@]1CCCC[C@@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC	RTZ	10-{2-[(2r)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10h-phenothiazine
+[Ru+3]	RU	ruthenium ion
+CC1=O[Ru]234(=[Ru](O1)(O=C(O2)C)(O=C(O3)C)(OC(=O4)C)Cl)Cl	RU0	tetrakis(acetato)chloridodiruthenium(ii,iii)
+C(#[O+])[Ru+2]C#[O+]	RU1	bis(oxidaniumylidynemethyl)ruthenium(2+)
+C(#[O+])[Ru]([OH2+])([OH2+])([OH2+])([OH2+])[OH2+]	RU2	pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium
+C(=O)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)OC=O	RU3	ruthenium(6+) formate azanide tetraamino(formato-kappao)oxidoruthenate(1-) (1/1/4/1)
+CCNC(=O)Oc1ccc(cc1)c2csnn2	RU4	4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate
+c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)N)Oc4ccc(cc4)Cl	RU5	2-[4-(4-chlorophenoxy)phenyl]-1h-benzimidazole-6-carboxamide
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn5cc(nc5)c6cccnc6)C	RU6	(3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-1-[4-(4-pyridin-3-yl-1h-imidazol-1-yl)butyl]-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl 2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranoside
+CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl	RU7	para-cymene ruthenium chloride
+c1c2c3c4c(c1NC(=O)CI)C=CC=[N]4[Ru+2]56([N]3=CC=C2)([N]7=C(C=CC=C7)C8=[N]5C=CC=C8)[N]9=C(C=CC=C9)C1=CC=CC=[N]61	RU8	bis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)[2-iodo-n-(1,10-phenanthrolin-5-yl-kappa~2~n~1~,n~10~)acetamide]ruthenium(2+)
+c1cc(cc(c1)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(=O)N)O	RU9	2-(4-(3-hydroxyphenoxy)phenyl)-1h-benzo[d]imidazole-5-carboxamide
+CC1CCN2C(C1)C3CC(=CCN3[Ru]245(N6CCCCC6C7N4CCCC7)N8CCCCC8C9N5CCCC9)C	RUA	(4'-methyl-2,2'bipyridine)bis(2,2'-bipyridine)
+C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O	RUB	ribulose-1,5-diphosphate
+[CH]12=[CH]3[Ru]1456[CH]2=[CH]4[CH]5=[CH]63	RUC	(eta6-benzene)ruthenium
+Cc1ccc(cc1)CCC(=O)O.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl	RUD	[ethane6-3-(p-tolyl)propanoic acid]ru(1,3,5-triaza-7-phosphaadamantane)cl2
+c1cc(cc(c1)C(=O)O)CN(Cc2cccc(c2)C(=O)O)CC(=O)NO	RUE	3-[[(3-carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid
+CN1c2c(n(c(n2)N3CCNCC3)Cc4ccccc4Cl)C(=O)N(C1=O)C	RUF	7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1h-purine-2,6-dione
+c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	RUG	1-beta-d-glucopyranosyl-4-(hydroxymethyl)-1h-1,2,3-triazole
+C1C[N][Ru]23456([N]1)(C7=C2C38=C4(C5=C67)CC9=C(C8)CC=CC9)Cl	RUH	(ethane6-5,8,9,10-tetrahydroanthracene)ru(ii)(ethylene-diamine)cl
+c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)(C9=C5[C]6C7=C89)C#O	RUI	cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~c~10~,n~1~)ruthenium
+CN(CCC(=O)O)[N+](C)(C)C	RUJ	3-(1,1,1,2-tetramethylhydrazin-1-ium-2-yl)propanoate
+C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C7C(=CC=C6)c8c(nc9c1c2c3c(c9n8)C=CC=[N]3[Ru+2]36([N]2=CC=C1)([N]1=C(C=CC=C1)C1=[N]3C=CC=C1)[N]1=C(C=CC=C1)C1=[N]6C=CC=C1)C1=CC=C[N]4=C17)[N]1=CC=CC=C1C1=CC=CC=[N]51	RUL	tetrakis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~13~,n~14~)diruthenium(4+)
+c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCC[C@H](C3)N)Br)C#N	RUM	2-({2-[(3r)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6h)-yl}methyl)benzonitrile
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@@H](Cc2ccccc2)c3[nH]c(cn3)C(=O)C(C)C)O)NC(=O)OCc4ccccc4	RUN	2-[(1r,3s,4s)-1-benzyl-4-[n-(benzyloxycarbonyl)-l-valyl]amino-3-phenylpentyl]-4(5)-(2-methylpropionyl)imidazole
+O([Ru])([Ru])[Ru]	RUO	oxo-centered triruthenium cluster
+c1ccc(cc1)CCNC(=O)[C@@H](Cc2cccc(c2)C(=N)N)NC(=O)NC34CC5CC(C3)CC(C5)C4	RUP	(r)-2-(3-adamantan-1-yl-ureido)-3-(3-carbamimidoyl-phenyl)-n-phenethyl-propionamide
+S[Cu][S+]([Cu])[Cu]	RUQ	(dicuprio-$l^{3}-sulfanyl)-sulfanyl-copper
+CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Ru@@]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C	RUR	[3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)dipropanoato(2-)]ruthenium
+C1=CN(C(=NC1=O)[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	RUS	1-(5-o-phosphono-beta-d-ribofuranosyl)-2-selanylpyrimidin-4(1h)-one
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O	RUT	rutin
+C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O	RUU	alpha-l-ribulofuranose
+CC(=O)Nc1ccc(cc1)C(=O)Nn2cnnc2	RUV	4-(acetylamino)-n-(4h-1,2,4-triazol-4-yl)benzamide
+Cc1nc2cc3c(cc2c(n1)N)C4=CC=CC=[N]4[Ru]3([C-]#[O+])C5(C=CC=C5)C(=O)Oc6c(cccc6OC)OC	RUX	[4-amino-2-methyl-6-(pyridin-2-yl-kappan)quinazolin-7-yl-kappac~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium
+C1CCN(CC1)c2c(non2)N	RUY	4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine
+c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)CO	RUZ	[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
+c1cc(ccc1N)S(=O)(=O)NC(=O)C2CC2	RV1	n-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide
+c1cc(cc(c1)NC(=O)C(=O)Nc2ccc(cc2C(=O)O)Cl)c3ccoc3	RV2	5-chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid
+CC(=O)Nc1ccc(cc1)CN2CCOCC2	RV4	n-{4-[(morpholin-4-yl)methyl]phenyl}acetamide
+c1cc2c(cc1NC(=O)NCC(=O)N3CCCCC3)snn2	RV5	n-1,2,3-benzothiadiazol-6-yl-n'-[2-oxo-2-(1-piperidinyl)ethyl]urea also called unc-2327
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N	RV7	4-amino-4,6-dideoxy-alpha-d-glucopyranose
+C1[C@@H](O1)CN2C(=O)N(C(=O)N(C2=O)C[C@H]3CO3)C[C@H]4CO4	RV8	triglycidyl isocyanurate
+c1ccc(cc1)/C=C(/C(=O)O)\Oc2cccc(c2O)C(=O)O	RVA	3-{[(z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid
+CC(C)/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O	RVB	3-{[(1z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid
+c1cc(c(c(c1)O/C(=C\C2CC2)/C(=O)O)O)C(=O)O	RVC	3-{[(z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid
+CC/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O	RVD	3-{[(1z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid
+C=C(C(=O)O)Oc1cccc(c1O)C(=O)O	RVE	3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)O	RVG	6-deoxy-2,3-di-o-methyl-beta-d-glucopyranose
+CCC[C@H](Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)NCC4CCCCC4	RVI	(2r)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-n-(cyclohexylmethyl)pentanamide
+C([C@@H](C(=O)O)N)NNN	RVJ	3-triazan-1-yl-l-alanine
+CO[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	RVK	adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere
+C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)OC)OC	RVM	4,6-dideoxy-2,3-di-o-methyl-alpha-d-xylo-hexopyranose
+c1ccc2c(c1)/C(=C\c3ccc4c(c3C(=O)O)OCO4)/C(=O)N2	RVN	5-[(e)-(2-oxidanylidene-1h-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
+c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N	RVP	ribavirin monophosphate
+Cc1ccnc(c1)C	RVV	2,4-dimethylpyridine
+C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)S)O)O)O)O	RVW	(2~{s},3~{r},4~{r},5~{s},6~{s})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol
+CC(C)CO[P@](=O)(C)OC[C@@H](C(=O)O)N	RVX	o-[methyl(2-methylpropoxy)phosphoryl]-l-serine
+C[C@@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3	RVY	(5s)-5-methyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione
+c1ccc(cc1)c2c(c(nc(c2C#N)SCc3[nH]ccn3)N)C#N	RVZ	2-azanyl-6-(1~{h}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile
+c1ccc(cc1)c2ccncn2	RW1	4-phenylpyrimidine
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O	RW2	(1s)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid
+CC(=O)Nc1nc2ccc(cc2s1)c3c4c(ncnc4n(n3)Cc5cc6ccccc6nc5N7CCN(CC7)C)N	RW3	n-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide
+CN1CCN(CC1)c2c(cc3ccccc3n2)Cn4c5c(c(n4)c6ccc7c(c6)sc(n7)N)c(ncn5)N	RW4	3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCC[C@]1(C(=O)Nc2ccccc2C(=O)N1C)C	RW7	(3s)-3,4-dimethyl-3-propyl-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione
+COC(=O)CCC(=O)N1CCc2c1cccc2	RW8	methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
+C[C@]1(C(=O)C(C(=O)N1)(C)C)Cc2cn(nn2)c3ccccc3	RWA	(5r)-3,3,5-trimethyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	RWB	dodecaethylene glycol monomethyl ether
+C[C@]1([C@H](CC(=O)N1)O)Cc2cn(nn2)c3ccccc3	RWD	(4s,5r)-4-hydroxy-5-methyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one
+CC(=O)C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O	RWF	r-warfarin
+C[C@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3)F	RWG	(5r)-5-{[1-(4-fluorophenyl)-1h-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione
+CN(CCc1ccccc1)C(=O)Nc2cccc(c2)S(=O)(=O)N	RWH	3-(3-methyl-3-phenethylureido)benzenesulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)NC(=O)NO)O)O)O	RWI	(2s)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-d-glucopyranosyl}oxy)butanedioic acid
+c1ccc2c(c1)nc(s2)C(=O)[C@H](CCCNC(=N)N)NC(=O)C3CCCC3	RWJ	cyclopentanecarboxylic acid [1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide
+C[C@@]1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3	RWM	(5s)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione
+COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F	RWP	methyl 4-[(trifluoroacetyl)amino]benzoate
+Cc1nnc(s1)N2CCCCC2	RWS	1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine
+Cc1nc(cs1)CN2CCC(CC2)CN	RWV	1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
+Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2OC)c3nc(c(s3)C(=O)O)c4ncnn4C)Br)Cl	RWX	2-[(3s,4r)-4-[(3-bromanyl-4-chloranyl-5-methyl-1h-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid
+c1ccc(cc1)Oc2ccc(cc2)OCCSC#N	RWY	2-(4-phenoxyphenoxy)ethyl thiocyanate
+CC(=CCC/C(=C\CNCCNC1C2CC3CC(C2)CC1C3)/C)C	RWZ	n-[(2z)-3,7-dimethylocta-2,6-dien-1-yl]-n'-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine
+COCCCC[C@@](c1ccccc1c2ccccc2)([C@@H]3CCCN(C3)C(=O)[C@H]4C[C@H]([C@H](C4)O)N)O	RX0	[(1s,3r,4s)-3-amino-4-hydroxycyclopentyl]{(3r)-3-[(1s)-1-(biphenyl-2-yl)-1-hydroxy-5-methoxypentyl]piperidin-1-yl}methanone
+c1ccc(cc1)CC(NC(=O)OCc2ccccc2)[P@](=O)(C3CCC[C@H]3C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)O	RX3	n-({(1s,2r)-2-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]cyclopentyl}carbonyl)-l-trypt ophan
+C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C)O)C(=O)N[C@@H](C)C(=O)N	RX4	n~2~-acetyl-n-{(1r)-1-[(s)-[(2s)-3-{[(2s)-1-amino-1-oxopropan-2-yl]amino}-2-methyl-3-oxopropyl](hydroxy)phosphoryl]-2-phenylethyl}-l-alpha-asparagine
+CN[C@@H](C[C@H]1CCCOC1)CNC(=O)N2CCC[C@H](C2)[C@H](c3cccc(c3)Cl)OCCNC(=O)OC	RX5	methyl (2-{(r)-(3-chlorophenyl)[(3r)-1-({(2s)-2-(methylamino)-3-[(3r)-tetrahydro-2h-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl] methoxy}ethyl)carbamate
+CNC[C@H](C[C@H]1CCCOC1)NC(=O)N2CCC[C@H](C2)[C@H](c3cccc(c3)Cl)OCCNC(=O)OC	RX6	methyl (2-{(r)-(3-chlorophenyl)[(3r)-1-({(2s)-1-(methylamino)-3-[(3r)-tetrahydro-2h-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate
+Cc1ccsc1CNC(C)(C)CO	RX7	2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol
+CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N	RX8	1-[4-amino-2-(ethoxymethyl)-1h-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
+c1ccc2c(c1)C(=O)C(=O)NC2=O	RXA	isoquinoline-1,3,4(2h)-trione
+CC(=O)O[C@@H](c1ccccc1)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O	RXB	(1s)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
+CC(=O)O[C@@H](c1cccc(c1)Cl)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O	RXC	(1s)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
+c1cc(cc(c1)OCCF)NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O	RXD	n-[3-(2-fluoroethoxy)phenyl]-n'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
+c1cc(c(cc1CCNC(=O)CCC(=O)NCCCCn2cnc3c2c(c(c(c3Br)Br)Br)Br)Cl)Cl	RXE	~{n}'-[2-(3,4-dichlorophenyl)ethyl]-~{n}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide
+c1ccn(c1)C(=O)COc2ccc(cc2)F	RXG	2-(4-fluorophenoxy)-1-(1h-pyrrol-1-yl)ethan-1-one
+C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)OC	RXH	naproxen methyl ester
+CN1CCN(CC1)c2ccc(cc2)C#N	RXJ	4-(4-methylpiperazin-1-yl)benzonitrile
+C1CCC(CC1)C(=O)O	RXK	cyclohexanecarboxylic acid
+Cc1ccn2c(c1)nc3c2c4c(c5c3c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O	RXM	(2s,16z,18e,20s,21s,22r,23r,24r,25s,26r,27s,28e)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,1 5-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-2 5-yl acetate
+CN1c2ccc(cc2OC[C@@H](C1=O)N3CCc4c(nn(c4C(=O)N)Cc5ccccc5)C3=O)Cl	RXN	(s)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2h-pyrazolo[3,4-c]pyridine-3-carboxamide
+c1cc(c(cc1[AsH2])[N+](=O)[O-])O	RXO	4-arsanyl-2-nitrophenol
+c1ccc(cc1)CCC[C@H](C[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N	RXP	1-benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(1h-indol-3-yl)-ethylcarbamoyl]-5-phenyl-pentyl}-phosphinic acid
+c1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)c5ccc(cc5)Cl)F	RXQ	n-[3-[5-(4-chlorophenyl)-1h-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide
+CC1(C(=C(C(N1[O])(C)C)CS)CS)C	RXR	[2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1h-pyrrol-1-yl]oxidanyl radical
+Cc1nccn1Cc2cccc(c2)C#N	RXS	3-[(2-methyl-1h-imidazol-1-yl)methyl]benzonitrile
+c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4	RXT	(3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+COc1ccc2c(c1)c(c(cn2)C#N)CCN3CCC(CC3)NCc4cc5c(cn4)OCS5	RXV	6-methoxy-4-(2-{4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]piperidin-1-yl}ethyl)quinoline-3-carbonitrile
+B(c1cc2c(cc1C)cn[nH]2)(O)O	RXW	(5-methyl-1h-indazol-6-yl)boronic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN	RXY	(7z,19r,22r)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9z)-octadec-9-enoate
+c1ccnc(c1)CN2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(o4)c5ccncc5)C(F)(F)F	RXZ	sphinx31
+C1C=C(NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	RY	5'-3,6-dihydrocytidylic acid
+B(c1cccc(c1)c2n[nH]nn2)(O)O	RY2	(3-(1h-tetrazol-5-yl)phenyl)boronic acid
+CS(=O)(=O)Nc1ccc(cc1)CN	RY4	n-[4-(aminomethyl)phenyl]methanesulfonamide
+c1cc2c(cc1Cl)CC[C@@]23C(=O)N(C(=O)N3)Cc4ccon4	RY5	(3~{s})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	RY7	4,6-dideoxy-4-{[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranose
+Cc1cc(cc(c1C)NC(=O)c2ccc(cc2)c3csc(n3)C)S(=O)(=O)N	RY8	n-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methylthiazol-4-yl)benzamide
+C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)C	RYA	(7~{r})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{h}-pteridin-6-one
+Cn1c2ccc(cc2nn1)CO	RYD	(1-methylbenzotriazol-5-yl)methanol
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O	RYE	hydrolyzed ceftazidime
+c1cc(oc1)C(=O)N[C@@H]2CCCCNC2=O	RYG	~{n}-[(3~{r})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide
+c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N	RYJ	4-sulfamoyl-n-(2,2,2-trifluoroethyl)benzamide
+CCNC(=O)N1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5CO4)OC)OC)OC)OCO3	RYK	(5~{r})-5-[(1~{s})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{n}-ethyl-4-methoxy-7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
+c1ccc2c(c1)ncn2Cc3ccc(cc3)C#N	RYM	4-(benzimidazol-1-ylmethyl)benzenecarbonitrile
+CCNc1nc(nc(n1)SC)NC(C)C	RYN	n-ethyl-n'-(1-methylethyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
+CNCc1ccncc1	RYP	~{n}-methyl-1-pyridin-4-yl-methanamine
+C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O	RYS	6-[(3~{s},4~{r})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{s})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	RYT	pentadecaphosphate
+C[C@@]1(c2ccccc2NC1=C3c4cc(ccc4NC3=O)S(=O)(=O)N5CCC(CC5)O)O	RYU	(2e,3s)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'h)-one
+CCNC(=O)c1ccc(cc1)S(=O)(=O)N	RYV	n-ethyl-4-sulfamoylbenzamide
+C[C@H](C(=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	RYW	(2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide
+c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(=O)(=O)N	RYX	n-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide
+CCCNC(=O)c1ccc(cc1)S(=O)(=O)N	RYY	n-propyl-4-sulfamoylbenzamide
+c1cc(ccc1C(=O)NCC(C(C(F)(F)F)(F)F)(F)F)S(=O)(=O)N	RYZ	n-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide
+CCCCNC(=O)c1ccc(cc1)S(=O)(=O)N	RZ0	n-butyl-4-sulfamoylbenzamide
+c1cc(ccc1C(=O)NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N	RZ1	n-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide
+CC(C)(C)OC[C@@H](C(=O)O)N	RZ4	o-tert-butyl-l-serine
+CCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N	RZ5	n-pentyl-4-sulfamoylbenzamide
+c1cc(ccc1C(=O)NCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N	RZ7	4-sulfamoyl-n-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide
+CCCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N	RZ8	n-hexyl-4-sulfamoylbenzamide
+C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O	RZA	6-[(3~{r},4~{s})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+c1cc(ccc1c2nnn(n2)C[C@@H](CC(=O)O)N)Oc3ccc(cc3)Cl	RZB	(3~{r})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
+CC(=O)N[C@H](C[N@@]1CCC[C@H]1C(=O)NCCc2c[nH]c3c2cccc3)COP(=O)(O)O	RZD	(2r)-2-(acetylamino)-3-[(2s)-2-{[2-(1h-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate
+c1cc(ccc1c2nnn(n2)C[C@H](CC(=O)O)N)Oc3c(cc(cn3)Cl)F	RZE	(3~{s})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
+COC(=O)c1ccc(cc1)S(=O)(=O)N	RZG	methyl 4-sulfamoylbenzoate
+CCc1cc(cc2c1[nH]c(c2CCN)C)Br	RZH	2-(5-bromo-7-ethyl-2-methyl-1h-indole-3-yl)ethan-1-amin
+CN1CCCc2c1cc(cc2)S(=O)(=O)N	RZJ	1-methyl-3,4-dihydro-2~{h}-quinoline-7-sulfonamide
+COc1ccc(cc1)c2nnn(n2)CCN	RZK	2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
+C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	RZM	(2r,3r,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-d-glucopyranoside
+c1ccc(cc1)Oc2ccc(cc2)CO	RZN	(4-phenoxyphenyl)methanol
+CC(=O)N[C@@H](CCC(=O)O)[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O	RZP	(2~{s})-2-[[[(1~{r})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
+CCNc1ccc(cn1)C#N	RZS	6-(ethylamino)pyridine-3-carbonitrile
+CC(=O)N[C@@H](CCC(=O)O)P(=O)(C[C@@H](CCC(=O)O)C(=O)O)O	RZV	(2~{s})-2-[[[(1~{r})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid
+CC1=CC(=O)N(c2c1c(c(cc2OC)OC)OC)C	RZW	5,6,8-trimethoxy-1,4-dimethylquinolin-2(1h)-one
+Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCCCOC	RZX	2-[(r)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1h-benzimidazole
+C[C@@H](NC(=O)C)[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O	RZY	(2~{s})-2-[[[(1~{s})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
+B1(c2cc(ccc2CO1)C(=O)O)O	RZZ	1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid
+S	S	sulfur atom
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc4ccccc4)\\N	S00	n-(benzylsulfonyl)-3-cyclohexyl-d-alanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+Cc1cc2c(nc1)C(=C3CCN(CC3)C(=O)Cc4ccncc4)c5ccc(cc5CC2)Cl	S01	1-[4-(8-chloro-3-methyl-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-2-pyridin-4-yl-ethanone
+C1CC(=CC=C2CCC(CC2)OCCOP(=O)(O)O)CCC1OCCO	S02	phosphoric acid mono-[2-(4-{2-[4-(2-hydroxy-ethoxy)-cyclohexylidene]-ethylidene}-cyclohexyloxy) -ethyl] ester
+COc1cccc(c1)c2cn(c3c2c(ncn3)N)c4ccc(cc4)CN5CCC(CC5)O	S03	1-{4-[4-amino-5-(3-methoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-ol
+c1ccc(cc1)CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4CN)Cl	S04	n-(benzylsulfonyl)-3-cyclohexyl-d-alanyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+c1ccc2c(c1)CCCN2C(=O)N3CCC(CC3)c4cnc[nH]4	S05	3,4-dihydroquinolin-1(2h)-yl[4-(1h-imidazol-5-yl)piperidin-1-yl]methanone
+c1ccc2cc(ccc2c1)C3C[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)ON3	S06	(3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
+Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2	S07	2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone
+B1(c2cc(ccc2[C@@H](O1)CC(=O)O)C(=O)N[C@H](c3ccccc3)C(=O)N)O	S08	2-(6-(((r)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
+C[C@H](C1CC1)NC(=O)Nc2ccccc2	S0A	1-[(1r)-1-cyclopropylethyl]-3-phenylurea
+C[C@@H]1CN=C(S1)NCCc2ccccc2	S0B	(5r)-5-methyl-n-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
+c1csc(n1)NC(=O)CC2CCCC2	S0C	2-cyclopentyl-n-(1,3-thiazol-2-yl)acetamide
+Cn1cc(cn1)c2[nH]c3ccccc3n2	S0D	2-(1-methyl-1h-pyrazol-4-yl)-1h-benzimidazole
+c1cc2c(cc1C(F)(F)F)sc(n2)N	S0E	6-(trifluoromethyl)-1,3-benzothiazol-2-amine
+c1cc(ccc1Cc2cnc(s2)N)Br	S0F	5-(4-bromobenzyl)-1,3-thiazol-2-amine
+CN1C(=C(C(=O)NC1=O)N2CCCCC2)N	S0G	6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1h,3h)-dione
+C[C@@H](CP(=O)(O)O)O	S0H	(s)-2-hydroxypropylphosphonic acid
+c1ccc(cc1)CN2CC(=O)Nc3c2cccc3	S0I	4-benzyl-3,4-dihydroquinoxalin-2(1h)-one
+Cc1cc(c(n1C[C@H]2CCCO2)C)c3csc(n3)N	S0J	4-{2,5-dimethyl-1-[(2r)-tetrahydrofuran-2-ylmethyl]-1h-pyrrol-3-yl}-1,3-thiazol-2-amine
+c1ccc(c(c1)NC(=O)c2ccsc2)N3CCOCC3	S0K	n-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
+c1cc(cc(c1)NC(=O)c2cc(ccn2)n3cc(nc3)C4CC4)c5nncn5C6CC6	S0L	4-(4-cyclopropyl-1h-imidazol-1-yl)-n-[3-(4-cyclopropyl-4h-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
+CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O	S0N	o-succinylbenzoyl-n-coenzyme a
+CC(=O)Nc1ccc(cc1)C#N	S0P	~{n}-(4-cyanophenyl)ethanamide
+B1(c2cc(ccc2[C@@H](O1)CC(=O)O)C(=O)NCC(=O)N3CCN(C(=O)C3)C)O	S0Q	2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
+c1cc(cnc1)CN[C@H]2CS(=O)(=O)C[C@@H]2O	S0S	(3~{r},4~{r})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol
+c1c(nns1)C(=O)N2CCOCC2	S0V	morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone
+c1cc(ccc1CCC(=O)O)Cl	S0W	3-(4-chlorophenyl)propanoic acid
+Cc1ccc2c(c1)c(c(o2)C#C)CC(=O)O	S0Y	2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid
+B1(c2cc(ccc2CO1)C(=O)N[C@H](c3ccccc3)C(=O)OC)O	S0Z	methyl (r)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate
+CCOC(=O)NCCCNC(=O)OCC	S10	diethyl propane-1,3-diylbiscarbamate
+CC(C)c1c(n(c(n1)COC(=O)N)Cc2ccncc2)Sc3cc(cc(c3)Cl)Cl	S11	5-(3,5-dichlorophenyl)thio-4-isopropyl-1-(pyridin-4-yl-methyl)-1h-imidazol-2-yl-methyl carbamate
+CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)O	S12	o-[(s)-hydroxy{[(2s)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-l-serine
+Cc1ccc(cc1)C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2	S13	(3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
+CN(C)C(=O)[C@@H](c1ccc(cc1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CC[C@@H](C4)F)N	S14	6-(4-{(1s,2s)-2-amino-1-[(dimethylamino)carbonyl]-3-[(3s)-3-fluoropyrrolidin-1-yl]-3-oxopropyl}phenyl)-1h-[1,2,4]triazolo[1,5-a]pyridin-4-ium
+c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Cl)C(=O)O	S16	3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid
+COC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)CCCCCCC(=O)NO	S17	methyl 4-bromo-n-[8-(hydroxyamino)-8-oxooctanoyl]-l-phenylalaninate
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)N=[N+]=[NH-])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	S18	[n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)copper
+Cc1ccc(cc1)Nc2c(cnc(n2)N[C@@H]3CCOC[C@@H]3N)C(=O)N	S19	2-{[(3r,4r)-3-aminotetrahydro-2h-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide
+C[C@H]1\C=C\[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)C)c3ccccc3)OC)OC	S1A	soraphen a
+B1(c2cc(ccc2CO1)C(=O)N3CCN(C(=O)C3(C)C)C)O	S1B	4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one
+CC(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O	S1C	3-(4-acetamidophenyl)benzoic acid
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)F	S1D	3-(4-fluorophenyl)benzoic acid
+B1(c2cc(ccc2CO1)C(=O)N(Cc3ccccc3)Cc4ccccc4)O	S1E	n,n-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide
+c1ccc(cc1)CNc2ccc(cc2)C(=O)O	S1G	4-[(phenylmethyl)amino]benzoic acid
+CCCCCCCCCCCCCCCCS(=O)(=O)OC[C@@H](C(=O)O)N	S1H	1-hexadecanosulfonyl-o-l-serine
+c1cc(cnc1)CNc2ccc(cc2N)C(=O)O	S1J	3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid
+B1(c2ccc(cc2[C@@H](O1)CC(=O)O)OCc3ccccc3)O	S1K	2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
+CC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC	S1M	methyl 2-[(2~{s})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate
+C/C(=C\CCCC=O)/CCC=O	S1N	(~{e})-4-methylnon-4-enedial
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O	S1P	(2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
+CN1C(=N/C(=C\c2ccc(cc2OC)O)/C1=O)/C=C/c3ccncc3	S1Q	(5~{z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{e})-2-pyridin-4-ylethenyl]imidazol-4-one
+c1ccc2c(c1)cccc2C[C@@H]3C\C=C\[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O	S1S	2-(4-((9s,10s,14s,z)-18-(2-amino-2-oxoethyl)-9-(carboxymethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl)phenyl)malonic acid
+Cc1c(sc(c1Cc2cnc(nc2N)C)[C@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O	S1T	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1s)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate
+CC(=O)N1CCC(CC1)C#N	S1V	1-ethanoylpiperidine-4-carbonitrile
+CN(C)c1cccc(c1)Oc2cnc(nc2)Nc3cccc(c3)O	S1W	3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol
+C1C[C@@H](CC[N@](C1)CCN)NC(=O)N2CC[C@H]([C@H]2C=O)NS(=O)(=O)O	S1Y	[(2s,3r)-1-{[(4s)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-2-formylpyrrolidin-3-yl]sulfamic acid
+CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc4c(c3)c[nH]n4	S1Z	(2~{r})-2-[[3-(2~{h}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
+Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)O	S20	(1s)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol
+c1cc(ccc1C(=O)CC(=O)C(F)(F)F)[N+](=O)[O-]	S21	4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione
+CC(C)S(=O)(=O)c1ccccc1Nc2cc(nc3c2cc[nH]3)Nc4ccc(cc4OC)N5CCC(CC5)O	S22	1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1h-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol
+C[C@H](N)[P@@](=O)(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)O	S23	n-{(2s)-3-[(1r)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-l-phenylalanine
+c1cc(c(cc1O)O)SC(=O)O	S24	s-(2,4-dihydroxyphenyl) hydrogen thiocarbonate
+c1cnc(cc1N2CCOCC2)Nc3ncc(s3)c4cc(cnc4)C(=O)NCCN	S25	n-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide
+CCOC(=O)C1=C(C(=O)N([C@@H]1c2cccs2)c3nc4ccc(cc4s3)Cl)O	S26	ethyl (2~{s})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{h}-pyrrole-3-carboxylate
+CC(C)C[C@H](C(=O)NO)[N@@](Cc1ccccc1)[P@@](=O)(C)c2ccccc2	S27	n-[[2-methyl-4-hydroxycarbamoyl]but-4-yl-n]-benzyl-p-[phenyl]-p-[methyl]phosphinamid
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)Cc3ccccc3)\\N	S28	n-(benzylsulfonyl)glycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)Cc3ccccc3)\\N	S29	n-(benzylsulfonyl)-d-alanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2c3cc4ccccc4cc3[C@@H]5[C@H]2C=C[C@]56c7cc(ccc7C=CC6=O)OC)NC)O)O	S2A	(1r,3a's,10's,10a'r)-7-methoxy-2-oxo-10',10a'-dihydro-2h,3a'h-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-alpha-d-galactopyranoside
+[B-]1(c2ccc(cc2C(=O)O1)/C=C/c3ccc4c(c3)C(=O)O[B-]4(O)O)(O)O	S2B	3-[(~{e})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one
+[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O	S2C	s-2-(boronoethyl)-l-cysteine
+C[C@H](C(=O)O)NC(=O)c1ccccc1	S2D	n-benzoyl-d-alanine
+C(CC(=O)O)[C@@H](C(=O)O)O	S2G	(2s)-2-hydroxypentanedioic acid
+SS	S2H	hydrogen disulfide
+c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCCO	S2I	3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol
+CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)OC	S2J	methyl 2-[(2~{r})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate
+C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N	S2K	(2~{s},6~{s})-2-azanyl-6-[[(4~{r})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid
+c1cc(c(cc1O)Cl)/C=C/c2cc(cc(c2)O)O	S2L	5-[(e)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
+CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC	S2M	2'-o-[2-(methoxy)ethyl]-2-thiothymidine-5'-monophosphate
+CCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)OC)O)O	S2N	s-[2-({n-[(2r)-2-hydroxy-4-{[(s)-hydroxy(methoxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] (3r)-3-hydroxydodecanethioate
+c1cc(ccc1CCO)S(=O)(=O)N	S2O	4-(2-hydroxyethyl)benzenesulfonamide
+C(c1c(nsn1)O)[C@@H](C(=O)O)N	S2P	(2s)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid
+C[C@H](c1cccc(c1)S(=O)(=O)N)NC(=O)c2cc3c(noc3nc2)C(C)C	S2Q	3-propan-2-yl-~{n}-[(1~{r})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
+CS(=O)(=O)Nc1ccc(cc1)C(=O)N	S2S	4-(methylsulfonylamino)benzamide
+CC(=O)O[C@@H](c1ccccc1Cl)C(=O)O	S2T	(2s)-(acetyloxy)(2-chlorophenyl)ethanoic acid
+CN1CCC(CC1)OC(=O)c2cccc(c2)F	S2V	(1-methylpiperidin-4-yl) 3-fluoranylbenzoate
+Cc1nc2ccccc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F	S2W	~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine
+CC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O	S2X	2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid
+COc1ccc(cc1)NCc2ccc(cc2)F	S2Y	~{n}-[(4-fluorophenyl)methyl]-4-methoxy-aniline
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccccc3)OC)OC	S2Z	6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-phenylethyl]quinazolin-4-amine
+Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)C#CCO)c(ncn5)N	S30	2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)(N=[N+]=[NH-])[O])CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	S31	[n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}propyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	S32	[n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}propyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper
+COc1ccc(cc1Cl)S(=O)(=O)N[C@@H](CC(=O)NCc2ccc(cc2)C#N)C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4CN)Cl	S33	(2s)-n-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2s)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide
+c1cnccc1CNC(=O)CC#N	S34	2-cyano-~{n}-(pyridin-4-ylmethyl)ethanamide
+Cc1ccccc1[C@H](CC(=O)O)NC(=O)c2cc(n(n2)c3ccccc3F)OC[C@@H](C(C)(C)C)O	S35	(3s)-3-({[1-(2-fluorophenyl)-5-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-1h-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid
+CC(C)c1cc(c(cc1O)O)C(=O)N2CCc3ccccc3C2	S36	3,4-dihydroisoquinolin-2(1h)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone
+CC(=O)N[C@@H](CCP(=O)(C[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	S37	(2~{s})-2-[[[(3~{s})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid
+c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)c3ccc(cc3)C#N	S38	4-cyano-n-[(1s,2r)-2-phenylcyclopropyl]benzamide
+CC(=O)N[C@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)C(=O)O	S3A	(2~{s})-2-[[[(3~{r})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
+CCC(=O)Oc1c(cccc1C(=O)O)C	S3B	3-methyl-2-(propanoyloxy)benzoic acid
+c1cc(c(c(c1Cl)/C=C(/C(=O)O)\S)Cl)Cl	S3C	(2z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid
+[O][Fe]1[S]([Fe]2[S]1[Fe]S2)[Fe]	S3F	oxidized [fe4-s3] cluster
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccncc3	S3G	5-[(2s)-4-methyl-2-[(pyridin-4-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid
+SSS	S3H	trisulfane
+c1ccc(cc1)C2CCN(CC2)CC(=O)O	S3J	2-(4-phenylpiperidin-1-yl)ethanoic acid
+Cn1c(cc(n1)CO)c2ccccc2	S3M	(1-methyl-5-phenyl-pyrazol-3-yl)methanol
+c1cc(ccc1C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O)C(F)(F)F	S3N	7-[(3s,4r)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one
+Cc1cccc(c1C)c2c3c(cc(n2)NC(=O)C)NCCC3	S3O	n-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
+C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O	S3P	shikimate-3-phosphate
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)C(F)(F)F)OC)OC	S3Q	6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
+CCOC(=O)Cc1ccncc1	S3S	ethyl 2-pyridin-4-ylethanoate
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)N)OC)OC	S3T	~{n}-[(1~{r})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
+c1cnccc1C(=O)O	S3V	pyridine-4-carboxylic acid
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CNC(=O)CCC(=O)N[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O	S3W	n-[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]-n'-[(1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]butanediamide
+c1cc(ccc1N2C[C@@H](NN2)CO)Cl	S3Y	[(4s)-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)OC)OC	S3Z	~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
+Cc1ccc(cc1NS(=O)(=O)c2ccc(cc2)C3CC3)C(=O)NCc4cccnc4	S40	3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-n-(pyridin-3-ylmethyl)benzamide
+Cc1cc2c(o1)cc(cc2Oc3cnc(nc3)C(=O)N(C)C)C(=O)Nc4cnc(cn4)C	S41	n,n-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide
+Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)CN	S42	6-[(2r)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine
+CC(C)[C@H]1C(=O)NCCCCCCCCCCCOC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccccc2	S43	(4~{s},5~{s},9~{s})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O	S44	(2s)-2-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid
+c1cc(ccc1c2nc(on2)[C@@H]3CCCNC3)Cl	S45	(3r)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine
+CN1CCN(CC1)C(=O)c2ccc(cc2)O	S46	(4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone
+c1ccc2c(c1)cccc2CC(=O)O[C@H]3CNC[C@@H]3OC(=O)Cc4cccc5c4cccc5	S47	(3s,4s)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate)
+Cn1cc(nc1)S(=O)(=O)[N@@](CC(=O)OC)[C@H]2Cc3cc(ccc3N(C2)Cc4cncn4C)c5ccccc5	S48	methyl n-{(3s)-1-[(1-methyl-1h-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydroquinolin-3-yl}-n-[(1-methyl-1h-imidazol-4-yl)sulfonyl]glycinate
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)Cc4ccccc4)\N	S49	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](S3)COP(=O)(O)O)O)N	S4A	2'-deoxy-4'-thioadenosine 5'-(dihydrogen phosphate)
+B(c1ccc(cc1)/C=C/c2cc(cc(c2)O)O)(O)O	S4B	{4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](S2)COP(=O)(O)O)O)O	S4C	4'-thio-4'-deoxy-cytosine-5'-monophosphate
+C[C@H]1CC[C@H](C1)NCc2ccc3c(c2)OCO3	S4D	(1r,3s)-n-[(2h-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine
+COc1cc2c(cc1OCC3CCNCC3)c(ncn2)Nc4cnc(nc4)OCCC5CC5	S4E	n-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](S3)COP(=O)(O)O)O)N=C(NC2=O)N	S4G	2'-deoxy-4'-thioguanosine 5'-(dihydrogen phosphate)
+SS(=S)S	S4H	trithiosulfurous acid
+CC1=C(C(=O)N(N1C)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4c(c[nH]5)c6ccccc6	S4K	1-(4-fluorophenyl)-n-[3-fluoro-4-[(3-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
+C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	S4M	5'-[(s)-(3-aminopropyl)(methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine
+C[C@@H]1CN(CCN1)c2cnc(nc2NC3CCOCC3)Nc4cc(c(c(c4)F)OCC5CC5)F	S4N	(r)-n2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-n4-(tetrahydro-2h-pyran-4-yl)pyrimidine-2,4-diamine
+SSSS	S4P	dihydrogen tetrasulfide
+CNc1c2c(nc(n1)OC3CCCC3)n(cn2)Cc4c(cccc4F)F	S4Q	2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-n-methyl-9h-purin-6-amine
+c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCn4ccnc4C3)Oc5cc(ncn5)NC(=O)C6CC6	S4T	n-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide
+C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	S4U	4-thiouridine-5'-phosphate
+c1ccc(c(c1)N)Nc2ccccn2	S4V	~{n}2-pyridin-2-ylbenzene-1,2-diamine
+CN(Cc1ccc2nccn2c1)c3nnc(o3)c4ccc(cc4)c5ccccc5Cl	S4W	5-(2'-chloro-[1,1'-biphenyl]-4-yl)-n-(imidazo[1,2-a]pyridin-6-ylmethyl)-n-methyl-1,3,4-oxadiazol-2-amine
+c1cc(ccc1[C@H]2CC[C@H](O2)C(=O)NN)Cl	S4Y	(2r,5s)-5-(4-chlorophenyl)oxolane-2-carbohydrazide
+CNC(=O)c1c(nc(s1)N2CC3CC2(C3)CNC(=O)c4c[nH]c5c4cc(cn5)Cl)C(F)(F)F	S4Z	2-(1-((5-chloro-1h-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-n-methyl-4-(trifluoromethyl)thiazole-5-carboxamide
+c1ccc(cc1)Cc2c(c3ccccc3n2c4ccccc4)C(=O)N5CCNCC5	S51	2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indole
+c1ccc(cc1)n2c3ccccc3c(c2Oc4ccccc4)C(=O)N5CCNCC5	S52	2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indole
+Cc1ccc(cc1Oc2c(c3ccnc(c3n2c4ccccc4)Cc5ccccc5)C(=O)N6CCNCC6)F	S53	[7-benzyl-2-(5-fluoro-2-methylphenoxy)-1-phenyl-1h-pyrrolo[2,3-c]pyridin-3-yl](piperazin-1-yl)methanone
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NS(=O)(=O)Cc3ccccc3)\\N	S54	n-(benzylsulfonyl)-d-valyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+CC[C@@H]1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)C[C@H]3c4c(c5ccccc5[nH]4)CCN3	S55	methyl (2s,3r,4s)-3-ethyl-2-(beta-d-glucopyranosyloxy)-4-[(1s)-2,3,4,9-tetrahydro-1h-beta-carbolin-1-ylmethyl]-3,4-dihydro-2h-pyran-5-carboxylate
+CC(C)NC(=O)[C@@H](Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Oc4ccccc4)C#N	S56	(2s)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)propanamide
+COc1ccc(c(c1)Cl)OCCCCCCn2ccnc2	S57	1-[6-(2-chloro-4-methyxyphenoxy)-hexyl]-imidazole
+c1cc(ccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F)Br	S58	1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenylpyrazole
+c1cc(ccc1CCC(=O)O)c2ccc(cc2)O	S5A	3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
+Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)O	S5B	4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid
+Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)N	S5D	(r)-6-(2-amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
+Cc1c(c(on1)c2c(nns2)C)C(=O)N[C@H](CCc3ccccc3)C(=O)N[C@H](CC(=O)NC)c4ccc(cc4)C(F)(F)F	S5E	3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-n-((r)-1-(((r)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide
+CC1([C@@H](SC(=S)N1C)NO)C	S5G	(5~{r})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C	S5H	5-alpha-pregnane-3-beta-ol-hemisuccinate
+COc1ccccc1N2CCN(CC2)CC#N	S5J	2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile
+B([C@H](Cc1coc2c1cccc2)NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)(O)O	S5K	[(1r)-2-(1-benzofuran-3-yl)-1-{[(1s,2r,4r)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid
+CC(C)(C)c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3	S5M	4-~{tert}-butyl-~{n}-[[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)S	S5P	6-sulfanyluridine-5'-phosphate
+SSS(S)S	S5S	2-sulfanyl-2lambda~4~-tetrasulfane
+O=[W]123(=O)O[W]45(=O)(=O)O1[Si]67O89[W]1%10(=O)(=O)O[W]%11%12(=O)(=O)O66[W]%13(=O)(O4)(O%11)O[W]4%11(=O)(O5)O75[W]7(=O)(O2)(O4)O[W]8(=O)(O3)(O1)O[W]91(=O)(O%10)O[W]6(=O)(O%12)(O%13)O[W]5(=O)(O7)(O%11)O1	S5T	monolacunary keggin (sta)
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC	S5W	macrocyclic safit analogue 55
+CCOCCOCCS	S5Y	2-(2-ethoxyethoxy)ethanethiol
+c1ccc(cc1)c2ccc(c(c2)CS)C(=O)O	S5Z	4-phenyl-2-(sulfanylmethyl)benzoic acid
+Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N	S60	6-amino-2-methyl-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+Cc1ccccc1[C@H](CC(=O)O)NC(=O)C2=CC(=O)N(N2)c3ccccc3F	S61	(s)-3-{[1-(2-fluoro-phenyl)-5-hydroxy-1h-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid
+c1cc2c(cc1S(=O)(=O)O)nc(s2)S(=O)(=O)O	S62	1,3-benzothiazole-2,5-disulfonic acid
+COc1ccc(cc1)C2=NCC[C@@H]3[C@@H]2CCS3	S64	(3~{a}~{r},7~{a}~{r})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine
+[C@@H]12[C@@H]([C@H]([C@H]3[C@@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl	S65	heptachlor endo-epoxide
+C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	S68	endosulfan
+Cc1cc(cc(c1/C=N/NC(=O)Cc2cccc(c2)OC)O)O	S69	n'-[(e)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
+c1cc(c(cc1CO)Cl)n2ccnc2	S6B	3-chloranyl-4-imidazol-1-yl-benzaldehyde
+C[C@H]1CCN1c2nc(cc(n2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F	S6D	2-[(1~{s},5~{r})-3-[2-[(2~{s})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid
+C1[C@@H]2[C@H]([C@@H]([C@@H]1Cl)Cl)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	S6E	(-)cis-chlordane
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=S)N	S6G	6-thio-2'-deoxyguanosine-5'-monophosphate
+C1[C@H]2[C@@H]([C@H]([C@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	S6H	(+)cis-chlordane
+c1cc(ccc1NC(=O)NC2CCCC2)S(=O)(=O)N	S6I	4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide
+C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@@H]4[C@H](C3)C4CO)C(F)(F)F)C#N)O	S6J	6-[(1~{s},5~{r})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+c1ccc(cc1)Cn2c3ccc(cc3c(c2N)C#N)Oc4ccc(cc4)NC(=O)CN	S6L	2-amino-n-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide
+CC1(CC(CC(N1O)(C)C)n2cc(nn2)[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=O)NC4=O)COP(=O)(O)O)O)C	S6M	[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate
+C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O	S6P	d-sorbitol-6-phosphate
+c1ccc(cc1)CNCCOc2cccc3c2ccn3S(=O)(=O)c4ccccc4	S6Q	~{n}-(phenylmethyl)-2-[1-(phenylsulfonyl)indol-4-yl]oxy-ethanamine
+C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F)C#N)O	S6S	2-[(1~{r},5~{s})-3-[5-cyano-6-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid
+CCCOCCN(c1c(cccc1CC)CC)C(=O)CCl	S6T	pretilachlor
+c1ccc(cc1)NC(=O)NCCN2CCCC2=O	S6V	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
+c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F	S6W	fipronil
+CC(C)CC1=NC(=O)NC(=C1)C(=O)O	S6Y	6-(2-methylpropyl)-2-oxidanylidene-5~{h}-pyrimidine-4-carboxylic acid
+CC(C)Oc1cc(c(cc1Cl)Cl)N2C(=O)OC(=N2)C(C)(C)C	S6Z	oxadiazon
+C([C@@H](C(=O)CP(=O)(O)O)O)OP(=O)(O)O	S70	3-hydroxy-2-oxo-4-phophonoxy- butyl)-phosphonic acid
+Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@@H](Cc3cc(cc(n3)N)C)CN	S71	(r)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine
+Cc1c(nnn1Cc2ccccc2)C(=O)NC3CCC(CC3)CC(=O)N(Cc4ccc(cc4)F)CC(=O)NC	S72	1-benzyl-n-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1h-1,2,3-triazole-4-carboxamide
+c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N+](=O)[O-])CO)OC(F)(F)F	S73	(2-nitro-4-{[(3s)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol
+c1ccc(cc1)[C@@H]2[C@@H](C2NC(=O)N3CCC(CC3)Oc4ccc(cc4)CCC(=O)O)c5ccccc5	S74	3-{4-[(1-{[(1s,2r,3s)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid
+CNC1=CC(=O)NC(=O)N1	S76	6-(methylamino)-1h-pyrimidine-2,4-dione
+Cn1cnnc1C2CCN(CC2)c3c(cccn3)c4ccc(nc4)F	S77	2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine
+CC(C)(C)OC(=O)N1CCC[C@@H](C1)C[NH2+]CCOc2cccc3c2ccn3Cc4ccccc4	S78	2-((1-benzyl-1h-indol-4-yl)oxy)-n-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium
+c1ccc2c(c1)cccc2CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N	S79	6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C1CN(CCN1)C(=O)CC(F)(F)F	S7A	3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one
+Cc1cccc(c1OC(=O)C2CC2)C(=O)O	S7B	2-[(cyclopropylcarbonyl)oxy]-3-methylbenzoic acid
+C[C@H]1CN(CCO1)C(=O)Cn2cccn2	S7D	1-[(2~{s})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone
+Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)NCC[C@@H](C=O)N)C)C)N	S7E	4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-~{n}-[2-[[(3~{s})-3-azanyl-4-oxidanylidene-butyl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide
+CC(=O)N[C@@H]1Cc2ccccc2NC1	S7G	~{n}-[(3~{r})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide
+C[C@H](CN1C(=O)N(C(=O)N(C1=O)C[C@@H]2CO2)C[C@H]3CO3)O	S7H	1-[(2~{r})-2-oxidanylpropyl]-3-[[(2~{r})-oxiran-2-yl]methyl]-5-[[(2~{s})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
+c1c(cnc(n1)C(F)(F)F)C(=O)N	S7J	2-(trifluoromethyl)pyrimidine-5-carboxamide
+Cc1ccnc(c1)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N	S7K	(s)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
+CC[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	S7M	[(3s)-3-amino-3-carboxypropyl]{[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethyls ulfonium
+C[C@@H](C(=O)N[C@@H](CCSC)C(=O)C)NC(=O)[C@@H](C(C)C)NC(=O)OCc1ccccc1	S7N	(phenylmethyl) ~{n}-[(2~{r})-3-methyl-1-[[(2~{s})-1-[[(3~{s})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate
+C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O	S7P	1-c-(hydroxymethyl)-6-o-phosphono-beta-d-altrofuranose
+C[C@H](C(=O)N[C@H](CCSC)C(=O)C)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1	S7Q	(phenylmethyl) ~{n}-[(2~{s})-3-methyl-1-[[(2~{r})-1-[[(3~{r})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate
+CCCC(=O)Nc1nnn(n1)CC	S7S	~{n}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide
+CCc1c(c([nH]c1C(=O)Nc2cccc(c2)CCC(=O)NO)C)C(=O)C	S7T	4-acetyl-3-ethyl-n-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)CN2CCO[C@H](C2)CO	S7V	[(2~{r})-4-(phenylmethyl)morpholin-2-yl]methanol
+C1C[C@@H](OC1)N2C=C(C(=O)NC2=O)F	S7W	tegafur
+Cc1c([nH]cn1)CN2CCc3c(c4ccccc4n3C)C2=O	S7Y	alosetron
+c1c(cc(c(c1F)/N=N\c2c(cc(cc2F)CO)F)F)CO	S7Z	(e)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol
+CC(C)C[C@H](C(CCCO)C(=O)NO)C(=O)N[C@H]1CCCCN(C1=O)CCOC	S80	n1-hydroxy-2-(3-hydroxy-propyl)-3-isobutyl-n4-[1-(2-methoxy-ethyl)-2-oxo-azepan-3-yl]-succinamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)F)O)N)O)O)N	S81	(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-glucopyranoside
+CC(C)c1nc(on1)C2CCN(CC2)C(=O)N[C@H]3C[C@@H]3c4ccccc4	S82	4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-n-[(1s,2r)-2-phenylcyclopropyl]piperidine-1-carboxamide
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C(F)(F)F	S84	n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(trifluoromethyl)phenyl)-n1,n2-dimethylethane-1,2-diamine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC	S85	n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-n1,n2-dimethylethane-1,2-diamine
+Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O	S87	ondansetron
+C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)F	S88	n-[(3-fluorophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
+c1ccc(cc1)C[C@@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3	S89	n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-nalpha-[(2e)-3-phenylprop-2-enoyl]-l-phenylalaninamide
+c1ccc2c(c1)C(=O)N(S2(=O)=O)CC(=O)O	S8A	(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)acetic acid
+CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2	S8B	~{n}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide
+CCNC(=O)CN1C[C@H](OC[C@@H]1C)C	S8D	2-[(2~{r},5~{s})-2,5-dimethylmorpholin-4-yl]-~{n}-ethyl-ethanamide
+CCN[P@](=O)(NCCBr)OCc1cnc(n1C)N(O)O	S8E	5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{n},~{n}-bis(oxidanyl)imidazol-2-amine
+c1cc(cc(c1)F)CCCNCc2ccnc(n2)n3ccnc3	S8F	3-(3-fluorophenyl)-n-{[2-(1h-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine
+C1C[C@H](CN(C1)C(=O)CCC(F)(F)F)N	S8G	1-[(3~{r})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one
+CC(C)OC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@@H](C(=O)O)N	S8H	(2~{s})-2-azanyl-5-oxidanylidene-5-[[(2~{s})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid
+CCOc1cccc(c1)C(=O)Nc2nnn(n2)C	S8J	3-ethoxy-~{n}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
+CC(C)(C)OC(=O)N1CCC[C@H](C1)CNCCOc2cccc3c2ccn3S(=O)(=O)c4ccccc4	S8K	~{tert}-butyl (3~{s})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](c4[nH]nnn4)N)O)O)N	S8M	(2~{r},3~{r},4~{s},5~{s})-2-(6-aminopurin-9-yl)-5-[[(3~{s})-3-azanyl-3-(1~{h}-1,2,3,4-tetrazol-5-yl)propyl]sulfanylmethyl]oxolane-3,4-diol
+CC1(C(=O)N[C@@H](C(=O)N2CCCC[C@H]2C(=O)O[C@@H](c3cccc(c3)OCC(=O)N1C)CCc4ccc(c(c4)OC)OC)C5CCCCC5)C	S8N	(2~{r},5~{s},12~{r})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
+Cc1cc(ns1)C(=O)NC[C@@H]2CCCO2	S8P	5-methyl-~{n}-[[(2~{s})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide
+C[C@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C(/C)\c2ccc(c(c2)OC3CCCC3)OC	S8Q	2-[(~{z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{s},6~{s})-2,6-dimethylmorpholin-4-yl]ethanone
+CC(C)c1ccc2c(c1)CCc3ccc(cc3S2)F	S8T	9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine
+C1COC[C@@H]1CNC2CC2	S8V	~{n}-[[(3~{s})-oxolan-3-yl]methyl]cyclopropanamine
+CC(=O)Nc1cc(ccc1[C@@H]2C[C@H]2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5	S8W	~{n}-[2-[(1~{r},2~{r})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide
+CC(C)(C)NC(=O)[C@@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3	S8Y	5-[[[(1r)-2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+COCC#Cc1cccc(c1)[C@@]2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(cc4)OC(F)F	S8Z	(8r)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(3-methoxyprop-1-yn-1-yl)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(CCNC)C3CC3	S90	n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-n1-cyclopropyl-n2-methylethane-1,2-diamine
+Cc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)CC(=O)O)C(=O)N	S91	[4-({5-(aminocarbonyl)-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid
+c1c(nc2c(cnn2c1NC3CC3)C#N)c4c(n(nn4)CCN5CCCCC5)C6=CNC(=O)C=C6	S92	7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1h-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC(CC3)Oc4ccccc4	S94	4-phenoxy-n-[(1s,2r)-2-phenylcyclopropyl]piperidine-1-carboxamide
+c1cc2cnccc2c(c1)S(=O)(=O)O	S95	isoquinoline-5-sulfonic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3ccc4cc[nH]c4n3	S97	6-(2-{3-(aminomethyl)-5-[2-(1h-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine
+c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N	S98	6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1ccc(cc1)CCCCCCC(c2nc(co2)c3ccccn3)(O)O	S99	7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
+Cc1cc(ccc1CNC(=O)N2CC(C2)OC(C)C)c3ccnc(n3)Nc4cnn(c4)C	S9A	~{n}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide
+c1cc2cnccc2c(c1)C(=O)O	S9B	isoquinoline-5-carboxylic acid
+c1cnc(nc1)Oc2ccc(cc2)[C@@H]3CCNN3	S9D	2-[4-[(3~{s})-pyrazolidin-3-yl]phenoxy]pyrimidine
+c1cc(ncc1C=O)n2ccnc2Br	S9E	6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde
+C1C[C@H](OC1)C(=O)N2CCN(CC2)C(=O)C3CC3	S9G	cyclopropyl-[4-[(2~{s})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone
+COc1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4	S9H	7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
+COc1ccccc1OCC(=O)NN	S9J	2-(2-methoxyphenoxy)ethanehydrazide
+c1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4	S9K	7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
+C(COCCOCCOP(=O)(O)O)O	S9L	2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate
+c1c(cc(c(c1[C@H]2CCNN2)O)F)F	S9M	2,4-difluoro-6-[(3s)-pyrazolidin-3-yl]phenol
+c1cc(ccc1c2ccn(c2C(=O)O)S(=O)(=O)N)F	S9N	3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid
+Cc1nc2ccc(cc2o1)O	S9P	2-methyl-1,3-benzoxazol-6-ol
+c1ccc(c(c1)CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)C(F)(F)F	S9Q	5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{h}-pyridazin-6-one
+CS(=O)(=O)NCCc1ccc(cc1)F	S9S	~{n}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
+COc1ccc(cc1OC)C[C@H]2c3cc(c(cc3CCN2)OC)OC	S9T	(1~{s})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
+CC(C)(CO)NC(=O)Nc1ccc(cc1)Cl	S9V	1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea
+c1cc(cc(c1)NC(=O)C2(CCOCC2)C=O)CN3CCN(CC3)Cc4ccc(cc4)Br	S9W	~{n}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide
+CCCCCCCCCC(=O)O[C@@H](C)COP(=O)(O)OCC[N+](C)(C)C	S9Y	2-[[(2~{s})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br	S9Z	~{n}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
+c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	SA0	2-(hydroxymethyl)phenyl beta-d-glucopyranoside
+C[C@@]12[C@@H](CCO1)C(=O)N[C@]2(C=O)[C@H]([C@H]3CCCC=C3)O	SA1	(3ar,6r,6as)-6-((s)-((s)-cyclohex-2-enyl)(hydroxy)methyl)-6a-methyl-4-oxo-hexahydro-2h-furo[3,2-c]pyrrole-6-carbaldehyde
+C[C@](COC(=O)CCCC(=O)O)([C@H](C(=O)O)N\C=C\C=O)[S@](=O)O	SA2	(3r)-4-[(4-carboxybutanoyl)oxy]-n-[(1e)-3-oxoprop-1-en-1-yl]-3-sulfino-d-valine
+c1cc2c(cc1O)[nH]c3c2c4c(c5c3n(c6c5ccc(c6)O)C7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)NC4=O	SA3	2,10-dihydroxy-12-(beta-d-glucopyranosyl)-6,7,12,13-tetrahydroindolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-dione
+CC[C@H]1C(=O)N[C@]([C@@]1(C)O)(C=O)[C@H]([C@H]2CCCC=C2)O	SA6	(2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde
+C[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	SA8	s-5'-azamethionine-5'-deoxyadenosine
+c1ccc(c(c1)CO)O	SA9	2-(hydroxymethyl)phenol
+C[C@](c1ccccc1)(C(=O)O)O	SAA	(s)-atrolactic acid
+c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N	SAB	4-sulfonamide-[1-(4-aminobutane)]benzamide
+CC(=O)N[C@@H](CO)C(=O)O	SAC	n-acetyl-serine
+c1c(nc([se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N	SAD	beta-methylene-selenazole-4-carboxyamide-adenine dinucleotide
+c1c(nc([se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	SAE	selenazole-4-carboxyamide-adenine dinucleotide
+C[C@@H](c1cccc(c1)O)N(C)C	SAF	3-[(1s)-1-(dimethylamino)ethyl]phenol
+C[C@@H](C(=O)N)/N=C/c1ccc(cc1)OCc2cccc(c2)F	SAG	(s)-(+)-2-[4-(fluorobenzyloxy-benzylamino)propionamide]
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N	SAH	s-adenosyl-l-homocysteine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[Se]CC[C@@H](C(=O)O)N)O)O)N	SAI	s-adenosyl-l-homoselenocysteine
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O	SAJ	(2s,3s,4r,5s,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid
+COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O	SAK	(2s)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4h-chromen-4-one
+c1ccc(c(c1)C(=O)O)O	SAL	2-hydroxybenzoic acid
+C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	SAM	s-adenosylmethionine
+c1cc(ccc1N)S(=O)(=O)N	SAN	sulfanilamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)[NH3+])O)O)N	SAO	5'-s-[(3s)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=S)(O)O)O)O)N	SAP	adenosine-5'-diphosphate monothiophosphate
+c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=CNC4=O	SAQ	2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CNCC(=O)O	SAR	sarcosine
+c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O	SAS	2-hydroxy-(5-([4-(2-pyridinylamino)sulfonyl]phenyl)azo)benzoic acid
+C(C(=O)O)S(=O)(=O)O	SAT	sulfoacetic acid
+C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6	SAU	13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium
+Cc1c2ccc(cc2[nH]n1)Nc3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC	SAV	n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O	SAW	(1r,3s,5r,7s)-n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+CCCCCCCCCCCCOc1cccc(c1C(=O)O)O	SAX	2-(dodecyloxy)-6-hydroxybenzoic acid
+c1cc(c(cc1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O)C=O	SAY	[(2r,3s,5r)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC1=CC[C@@H](CC1)[N@@H+](C)CCC=C(C)C	SAZ	(1s)-n,4-dimethyl-n-(4-methylpent-3-enyl)cyclohex-3-enaminium
+[Sb+3]	SB	antimony (iii) ion
+COc1nccc(n1)c2c(ncn2C3CCC(CC3)O)c4ccc(cc4)F	SB0	trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1h-imidazol-1-yl]cyclohexanol
+CC1(COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O)C	SB1	(21s)-1aza-4,4-dimethyl-6,19-dioxa-2,3,7,20-tetraoxobicyclo[19.4.0] pentacosane
+C[S@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4	SB2	4-[5-(4-fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-3h-imidazol-4-yl]-pyridine
+CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc2ccccc2)c3ccccc3	SB3	1,3-diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate
+c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F	SB4	4-(4-fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole
+c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccnc(n4)N)F	SB5	4-(fluorophenyl)-1-cyclopropylmethyl-5-(2-amino-4-pyrimidinyl)imidazole
+c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccncc4)F	SB6	4-(4-fluorophenyl)-1-cycloropropylmethyl-5-(4-pyridyl)-imidazole
+c1ccc(cc1)CCCN(CO)O	SB7	[hydroxy(3-phenylpropyl)amino]methanol
+c1ccc(cc1)C(=O)c2cccc(c2)OCCN(C=O)O	SB8	2-(3-benzoylphenoxy)ethyl(hydroxy)formamide
+Cc1cccc(n1)CCCN(C=O)O	SB9	hydroxy[3-(6-methylpyridin-2-yl)propyl]formamide
+CC(C)C[C@@H]([C@@H](COC)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	SBA	carbobenzyloxy-(l)-leucinyl-(l)leucinyl methoxymethylketone
+CC[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)c2ccc3c(c2)cc[nH]3	SBB	n-[2-(1h-indol-5-yl)-butyl]-4-sulfamoyl-benzamide
+c1cc(ccc1n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N)S(=O)(=O)N	SBC	1-[4-(aminosulfonyl)phenyl]-1,6-dihydropyrazolo[3,4-e]indazole-3-carboxamide
+[B-]([C@@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N	SBD	d-naphthyl-1-acetamido boronic acid alanine
+B1(OCCO1)O	SBE	1,3,2-dioxaborolan-2-ol
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CC34CC5CC(C3)CC(C5)C4	SBF	n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
+C[P@](=O)(O)OC[C@@H](C(=O)O)N	SBG	o-[(s)-hydroxy(methyl)phosphoryl]-l-serine
+C[C@](CCO[P@@](=O)(O)OP(=O)(O)O)(CBr)O	SBH	(s)-4-bromo-3-hydroxy-3-methylbutyl diphosphate
+c1cc2c(cc1F)[C@@]3(CCO2)C(=O)NC(=O)N3	SBI	sorbinil
+CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN	SBJ	[(2~{s})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] octadecanoate
+c1c(c(nc(c1Cl)Cl)OCC(=O)O)Cl	SBK	triclopyr
+[B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N	SBL	l-naphthyl-1-acetamido boronic acid alanine
+CCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	SBM	2-[[(2~{s})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
+Cc1cc(cc(c1)S(=O)(=O)c2cccc(c2C#N)N)C	SBN	2-amino-6-(3,5-dimethylphenyl)sulfonylbenzonitrile
+O[Sb](O)O	SBO	trihydroxyantimonite(iii)
+B1(OCCO1)OCCCNC(=[NH2+])N	SBP	[3-(1,3,2-dioxaborolan-2-yloxy)propyl]guanidine
+COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	SBQ	methyl 3-[3-chloranyl-4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate
+C[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3	SBR	(r)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
+C[C@@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3	SBS	(s)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
+CC[C@H](C)O	SBT	2-butanol
+CCCC	SBU	sec-butyl group
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([C@H]([C@@](CO4)(C)O)NC)O)N)N)N)O	SBV	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-beta-l-threo-hexopyranoside
+c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O)N	SBW	n-(3-hydroxybenzyl)-4-sulfamoylbenzamide
+CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc2ccccc2)C3CCCCC3	SBX	1-cyclohexyl-3-phenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate
+CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]	SBY	3-[dodecyl(dimethyl)ammonio]propane-1-sulfonate
+B1(OCCO1)OCc2ccc(cc2)C(=[NH2+])N	SBZ	[4-(1,3,2-dioxaborolan-2-yloxy)methyl]benzamidine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)O)O	SC	2-deoxy-cytidine-5'-thiophosphorate
+CCCCC\C=C\CC(C\C=C\CCCCC)(P(=O)(O)O)P(=O)(O)O	SC0	(6e,11e)-heptadeca-6,11-diene-9,9-diylbis(phosphonic acid)
+C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O	SC1	[3r-[3a,4a,5b(s*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid
+CC(=O)N[C@@H](CS)C(=O)O	SC2	n-acetyl-l-cysteine
+CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C	SC3	7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
+COc1ccc(c(c1)Cl)OCc2ccc(cc2)COc3c(cccc3Cl)Cl	SC4	1[2-chloro-4-methoxy-phenyl-oxymethyl]-4-[2,6-dichloro-phenyl-oxymethyl]-benzene
+C[C@H](c1ccccc1)NC(NCC(O)O)Nc2ccc(cc2)CN	SC5	2-[((r)-{[4-(aminomethyl)phenyl]amino}{[(1r)-1-phenylethyl]amino}methyl)amino]ethane-1,1-diol
+Cc1cc(cc(c1)C(=O)N2CCC[C@@H]2COC)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4C[C@H](CN4)Oc5ccccc5)O	SC6	n-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl}-3-{[(2r)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)OCC)O)C	SC7	n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-[(2r,4s)-4-ethoxypiperidin-2-yl]-2-hydroxyethyl}-5-methyl-n,n-dipropylisophthalamide
+c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)ccn3)NCc4ccncc4	SC8	5-(2,3-dichlorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+c1ccc(c(c1)c2cn3ccnc3c(n2)NCc4cccnc4)F	SC9	6-(2-fluorophenyl)-n-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
+CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O	SCA	succinyl-coenzyme a
+COCCN1C(=O)C(=Cc2ccc(o2)c3ccc(c(c3)C(=O)O)Cl)SC1=Nc4ccccc4	SCB	2-chloro-5-(5-{(e)-[(2z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)benzoic acid
+CCS	SCC	thioethyl group
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)CCC(=O)O)O	SCD	succinyl(carbadethia)-coenzyme a
+Cc1cnc2n1ccnc2NCc3ccncc3	SCE	3-methyl-n-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
+c1ccc(c(c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F	SCF	5-(2-fluorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC=O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	SCG	secologanin
+CSSC[C@@H](C(=O)O)N	SCH	s-methyl-thio-cysteine
+C(C[C@@H](C(=O)O)N)C/N=C(/N)\S	SCI	l-thiocitrulline
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4cccnc4	SCJ	3-bromo-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C	SCK	2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(n,n,n-trimethylethanaminium)
+CC(=O)ONC(=O)c1ccccc1O	SCL	acetic acid salicyloyl-amino-ester
+C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O	SCM	spectinomycin
+C(#N)[S-]	SCN	thiocyanate ion
+CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)O)O	SCO	succinamide-coa
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2CONC2=O)O	SCP	[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-n,o-cycloserylamide
+c1ccc(cc1)c2cc3c(cnn3c(c2)NCc4cncnc4)Br	SCQ	3-bromo-5-phenyl-n-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	SCR	sucrose octasulfate
+CCSSC[C@@H](C(=O)O)N	SCS	3-(ethyldisulfanyl)-l-alanine
+CC1=CN(C(=O)NC1=O)[C@]23C[C@H]2[C@@H]([C@H](C3)O)CO	SCT	(south)-methanocarba-thymidine
+C[N+](C)(C)CCOC(=O)CCC=O	SCU	n,n,n-trimethyl-2-[(4-oxobutanoyl)oxy]ethanaminium
+CC(C)[C@H](C(=O)O)OC(=O)[C@H](C(=O)S)NC(=O)CCC[C@@H](C(=O)O)N	SCV	n6-[(1s)-2-{[(1r)-1-carboxy-2-methylpropyl]oxy}-1-(mercaptocarbonyl)-2-oxoethyl]-6-oxo-l-lysine
+c1ccc(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4	SCW	3-bromo-6-phenyl-n-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
+CCc1cnn2c1nc(cc2NCc3cnc(nc3)N)c4c(cccc4F)F	SCX	n-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
+CC(=O)SC[C@@H](C(=O)O)N	SCY	s-acetyl-cysteine
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)C4CC4)NCc5cccnc5	SCZ	3-cyclopropyl-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+Cc1cc2c(n1c3ccc(c(c3)Nc4cc(c(c(c4)OC)OC)OC)C(=O)N)CC(CC2=O)(C)C	SD1	2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide
+CSCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)CS	SD2	n-(sulfanylacetyl)tyrosylprolylmethioninamide
+C([C@H](C(=O)O)N)C(=O)NO	SD3	n-hydroxy-d-asparagine
+C([C@@H](C(=O)O)N)C(=O)NO	SD4	n-hydroxy-l-asparagine
+c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F	SD5	5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
+CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4ccccc4SC3	SD8	2-[4-(2h-1,4-benzothiazine-3-yl)-piperazine-1-ly]-1,3-thiazole-4-carboxylic acid ethylester
+c1c(cc(c(c1Cl)N)Cl)S(=O)(=O)N	SDA	4-amino-3,5-dichlorobenzenesulfonamide
+C1CN=C(N[C@@H]1C(=O)O)[C@@H](CO)N	SDB	(4s)-2-[(1s)-1-amino-2-hydroxyethyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
+C(CS(=O)(=O)N)SC[C@@H](C(=O)O)N	SDC	s-[2-(aminosulfonyl)ethyl]-d-cysteine
+C([C@H]([C@@H]([C@H](C(=O)CO)O)O)O)O	SDD	d-sorbose
+c1nc2c(c(n1)N3C[C@@H]([C@H](C3)O)O)ncn2[C@H]4C[C@@H]([C@H](O4)COP(O)(O)O)O	SDE	(s,s)-n6,n6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate
+c1cc(c(cc1Cl)Cl)C(P(=O)(O)O)S	SDF	[(r)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2[SeH])N	SDG	2-amino-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purine-6-selenol
+C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]23C(=O)N=C(N3)N)COP(O)(O)O)O	SDH	(5s)-7-amino-1-[2-deoxy-5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione
+c1ccc(cc1)NCCC(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O	SDJ	(2s)-3-(1h-imidazol-5-yl)-2-({[(3s,4ar,8as)-2-(n-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
+CC(C)C[C@@H](C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2	SDK	1,3-bis[[n-[(phenylmethoxy)carbonyl]-l-leucyl]amino]-2-propanone
+C=CCN1C2=C(N=C(NC2=O)N)N(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	SDL	2-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{h}-purine-6,8-dione
+CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)O	SDN	[(3s)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3h-benzo[g]isochromen-3-yl]acetic acid
+CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(O)O)O	SDO	n~3~-{(2s)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide
+CCOP(=O)(OCC)OC[C@@H](C(=O)O)N	SDP	2-amino-3-(diethoxy-phosphoryloxy)-propionic acid
+c1ccc(cc1)CS	SDQ	phenylmethanethiol
+CCCCCCC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C	SDR	(2s)-2-[(n-acetyl-l-alpha-aspartyl)amino]nonanoic acid
+CCCCCCCCCCCCOS(=O)(=O)O	SDS	dodecyl sulfate
+Cc1ccc(c(c1CC[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C)O)O	SDT	3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione
+c1ccc2c(c1)c(on2)C(=O)N[C@@H]3CCCc4c3cnn4c5ccccc5F	SDV	n-[(4r)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1-benzoxazole-3-carboxamide
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H]([C@@H](NCCC(=O)NCCCC(=O)C[C@@](CC(=O)O)(C(=O)O)O)O)O	SDX	s-citryldethia coenzyme a
+C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O	SDY	beta-d-talopyranose
+c1ccnc(c1)N2CCN(CC2)C[C@@H](COc3ccc(cc3)C4CCCCC4)O	SDZ	1-[2-hydroxy-3-(4-cyclohexyl-phenoxy)-propyl]-4-(2-pyridyl)-piperazine
+[SeH2]	SE	selenium atom
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)CC2CCCS2	SE0	(2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-2-oxo-1-{[(2r)-tetrahydrothiophen-2-ylacetyl]amino}ethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1ccc2c(c1)C=C(C(=O)O2)O	SE2	3-hydroxy-2h-chromen-2-one
+[O-][Se](=O)(=O)[O-]	SE4	selenate ion
+c1cc(ccc1CCc2cc([nH]c2)C(=O)O)Cl	SE5	4-(4-chlorophenethyl)-1h-pyrrole-2-carboxylic acid
+C([C@@H](C(=O)O)N)[Se](=O)O	SE7	2-amino-3-selenino-propionic acid
+C(CC(=O)NCCNC(=O)C[C@](CC(=O)NC[C@@H](C(=O)O)N)(C(=O)O)O)C(=O)C(=O)O	SE8	5-[(2-{[(3s)-5-{[(2s)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid
+C(CS)N	SEA	thioethylamine
+c1ccc(cc1)CS(=O)(=O)OC[C@@H](C(=O)O)N	SEB	o-benzylsulfonyl-serine
+C([C@@H](C(=O)O)N)[SeH]	SEC	selenocysteine
+[B-](O)(O)(O)OC[C@@H](C(=O)O)N	SEE	trihydroxy(l-serinato-kappao~3~)borate(1-)
+CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F	SEF	ethyl (r)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate
+C([C@@H](C(=O)O)N)O	SEG	hydroxyalanine
+CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1	SEH	s-benzyl phenylacetothiohydroximate-o-sulfate
+CC(C)[C@@H](C(=O)C(C(F)(F)F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)N3CCOCC3	SEI	1-{3-methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide
+C1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O	SEJ	beta-d-arabinopyranose
+C(#N)[Se-]	SEK	selenocyanate ion
+C(C(CO)N)O	SEL	2-amino-1,3-propanediol
+c1ccc(cc1)COC[C@@H](C(=O)O)N	SEM	o-benzyl-l-serine
+CN(C)[P@](=O)(O)OC[C@@H](C(=O)O)N	SEN	o-[n,n-dimethylphosphoramidate]-l-serine
+C(CS)O	SEO	2-mercaptoethanol
+C([C@@H](C(=O)O)N)OP(=O)(O)O	SEP	phosphoserine
+C([C@@H](C(=O)O)N)O	SER	serine
+C([C@@H](C(=O)[O-])[NH-])O	SER_LEO2	l-serine c-terminal deprotonated fragment
+C([C@@H](C(=O)O)[NH-])O	SER_LEO2H	l-serine c-terminal protonated fragment
+C([C@@H](C(=O)O)[NH-])[O-]	SER_LEO2H_DHG	l-serine-c-terminal protonated fragment/with side chain deprotonated og
+C([C@@H](C(=O)[O-])[NH-])[O-]	SER_LEO2_DHG	l-serine-c-terminal deprotonated fragment/with side chain deprotonated og
+C([C@@H](C(=O)O)N)O	SER_LFOH	l-serine free neutral
+C([C@@H](C(=O)O)N)[O-]	SER_LFOH_DHG	l-serine-free neutral/with side chain deprotonated og
+C([C@@H](C(=O)[O-])[NH3+])O	SER_LFZW	l-serine free zwitterion
+C([C@@H](C(=O)[O-])[NH3+])[O-]	SER_LFZW_DHG	l-serine-free zwitterion/with side chain deprotonated og
+C([C@@H]([C-]=O)[NH-])O	SER_LL	l-serine - linking embedded fragment
+C([C@@H]([C-]=O)[NH-])[O-]	SER_LL_DHG	l-serine-linking embedded fragment/with side chain deprotonated og
+C([C@@H]([C-]=O)[NH3+])O	SER_LSN3	l-serine n-terminal protonated fragment
+C([C@@H]([C-]=O)[NH3+])[O-]	SER_LSN3_DHG	l-serine-n-terminal protonated fragment/with side chain deprotonated og
+CCCCc1c([se]c(n1)N)CCC	SES	4-butyl-5-propyl-1,3-selenazol-2-amine
+C([C@@H](C(=O)N)N)O	SET	aminoserine
+CCSC(=N)N	SEU	s-ethylisothiourea
+COc1ccc(cc1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F	SEV	3,5-bis(fluoranyl)-~{n}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
+C(=[Se])(N)N	SEY	selenourea
+Cc1cc(cc(c1)C)C	SEZ	1,3,5-trimethylbenzene
+c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl	SF1	1-benzyl-5-chloro-3-(phenylthio)-1h-indole-2-carboxylic acid
+COc1cccc(c1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl	SF2	5-chloro-1-(3-methoxybenzyl)-3-(phenylthio)-1h-indole-2-carboxylic acid
+S1[Fe][S@@]2[Fe]1[S@@]([Fe]2)[Fe]	SF3	fe4-s3 cluster
+[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45	SF4	iron/sulfur cluster
+CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C(=O)OC	SF5	methyl 4-({5-[(3r)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate
+C([C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)O	SF6	alpha-l-psicofuranose
+CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F	SF7	(3r)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-n-hydroxyheptanamide
+C(C[C@H](C(=O)O)NC(=O)C[C@@](CC(=O)O)(C(=O)O)O)CNC(=O)C[C@](CC(=O)O)(C(=O)O)O	SF8	(2r)-2-(2-{[(1r)-1-carboxy-4-{[(3s)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxybutanedioic  acid
+C([C@H]1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O	SF9	beta-l-psicofuranose
+CC[C@H]1C[C@@H]([C@@]2([C@H]([C@H]([C@H]([C@@H](O2)C[C@@H]([C@@H](C)CC\C=C\C=C(/C)\[C@@H]3C\C=C\C=C\[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O3)Cc5cccc(c5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)C)NC1=O)C	SFA	sanglifehrin a
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NS(=O)(=O)C[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)CO)O)O)N	SFB	(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-n-[[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]methylsulfonyl]-3,4-dihydroxy-oxolane-2-carboxamide
+CC(C)Cc1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O	SFC	(s)-ibuprofenoyl-coenzyme a
+Cc1cc2c(cc1C)[N@](C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(=O)(=O)O	SFD	(s)-10-((2s,3s,4r)-5-((s)-((s)-(((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)(hydroxy)phosphoryloxy)-2,3,4-trihydroxypentyl)-7,8-dimethyl-2,4-dioxo-2,3,4,4a-tetrahydrobenzo[g]pteridine-5(10h)-sulfonic acid
+c1ccc(cc1)C(CC(=O)O)N	SFE	(3s)-3-amino-3-phenylpropanoic acid
+C1CCC(CC1)NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2	SFF	(4as,8ar)-n-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N	SFG	sinefungin
+c1cc(cnc1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	SFH	5'-o-[(pyridine-3-carbonyl)sulfamoyl]adenosine
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)SC)F)CC(=O)O	SFI	2-[(3z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F)O	SFJ	(2r,3r,4r,5r,6r)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydro-2h-pyran-2-carboxylic acid
+CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O	SFK	n-(4-methylpentanoyl)-l-phenylalanine
+F[Sc-](F)(F)F	SFL	scandium tetrafluoride
+C[C@H]1[C@H](/C=C/C=C/C[C@H](OC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1O)CCC(=O)C)C(C)C)Cc3cccc(c3)O)/C(=C/CO)/C)O	SFM	(13e,15e)-(3s,6s,9r,10r,11s,12s,18s,21s)-10,12-dihydroxy-3-(3-hydroxyben-zyl)-18-((e)-3-hydroxy-1-methylpropenyl)-6-isopropyl-11-methyl-9-(3-oxo-butyl)-19-oxa-1,4,7,25-tetraaza-bicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetraone
+[O-]S(=O)=O	SFN	sulfonate group
+O[SH](=O)O	SFO	sulfonic acid
+c1c(ccc(c1)S([O-])(O)O)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7ccc(cc7)S([O-])(O)O)/C=C5)/c8ccc(cc8)S([O-])(O)O)/cc4)/c9ccc(cc9)S([O-])(O)O)C=C3	SFP	5,10,15,20-tetrakis(4-sulpfonatophenyl)-21h,23h-porphine
+c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(cc2)I	SFQ	2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid
+C[C@H]([C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O	SFR	(2r)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-5-[(2r)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid
+[Fe]12[Se]3[Fe]4[Se]1[Fe]5[Se]2[Fe]3[Se]45	SFS	fe4-se4 cluster
+CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](\C=C\CCCCCCCCCCCCC)O)O	SFT	sulfogalactoceramide
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O	SFU	methyl 1-seleno-alpha-l-fucopyranoside
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O	SFV	[[[(2~{r},3~{s},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methylphosphonic acid
+Cc1ccc(c(c1)C(F)(F)F)n2ccnc2c3ccccc3	SFW	1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole
+CNCC[C@@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F	SFX	(3s)-n-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
+c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N	SFY	4-amino-n-(pyridin-2-yl)benzenesulfonamide
+c1cc(c(cc1S(=O)(=O)N)[N+](=O)[O-])N2CCCC2=O	SG1	3-nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonamide
+CN1c2ccc(cc2C(=O)S1)S(=O)(=O)N	SG2	1-methyl-3-oxo-1,3-dihydro-benzo[c]isothiazole-5-sulfonic acid amide
+C[C@](CO)([C@@H](C=CP(=O)(O)O)O)F	SG3	[(1e,3r,4s)-4-fluoro-3,5-dihydroxy-4-methylpent-1-en-1-yl]phosphonic acid
+CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N	SG4	3,4-di-o-acetyl-6-o-sulfamoyl-alpha-d-glucopyranose
+CCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N	SG5	2,3,4-tri-o-propanoyl-6-o-sulfamoyl-alpha-d-glucopyranose
+CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)COS(=O)(=O)N	SG6	4-o-acetyl-6-o-sulfamoyl-alpha-d-galactopyranose
+CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N	SG7	3,4-di-o-acetyl-6-o-sulfamoyl-alpha-d-mannopyranose
+CNC1CCC(CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5c(ccc(c5s4)F)F)Cl	SG8	3-chloro-4,7-difluoro-n-[trans-4-(methylamino)cyclohexyl]-n-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide
+C[C@H]1[C@H]2CCC/C=C\[C@H]3C[C@@H](C[C@]4(O3)C[C@H](C[C@H](O4)CC(=O)[C@H]([C@H]([C@@H](C(=C)C[C@H]5C[C@](C[C@]6(O5)C[C@H](C[C@@H](O6)CC(=O)O[C@@H]7[C@H]([C@H]([C@@H]([C@](O2)(C[C@@H]1O)O)O)O[C@@H]([C@H]7O)CC(=C)C[C@@H](/C=C/C(=C)Cl)O)C)OC(=O)C)(C)O)C)OC(=O)C)C)OC)O	SG9	spongistatin-1
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O)O	SGA	3-o-sulfo-beta-d-galactopyranose
+CC(C)O[P@](=O)(C)OC[C@@H](C(=O)O)N	SGB	o-[(s)-methyl(1-methylethoxy)phosphoryl]-l-serine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O	SGC	4-thio-beta-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)S	SGD	6-thio-alpha-d-glucopyranose
+C[N@@]1Cc2c(ccc3c2OCO3)-c4c1c5cc6c(cc5cc4)OCO6	SGE	13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)N)O	SGF	(2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-o-sulfo-beta-d-galactopyranoside
+C[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(Cc2ccccc2)O)O	SGG	[(2~{s})-3-[[(1~{s})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid
+Cc1ccc(cc1C(F)(F)F)n2ccnc2c3ccccc3	SGH	1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole
+c1cc(ccc1CCC(=O)N)O	SGI	3-(4-hydroxyphenyl)propanamide
+C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)S)O)O	SGJ	1,4-dideoxy-4-thio-nojirimycin
+c1ccnc(c1)CNCC(=O)O	SGK	2-(pyridin-2-ylmethylamino)ethanoic acid
+C([C@H](CSO)O)O	SGL	1-hydroxy-1-thio-glycerol
+C([C@H](CS)O)O	SGM	monothioglycerol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O	SGN	2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N	SGP	guanosine-2',3'-cyclophosphorothioate
+CO[P@](=O)(N)OC[C@@H](C(=O)O)N	SGR	o-[(r)-amino(methoxy)phosphoryl]-l-serine
+COc1cc(cc(c1O)OC)\C=C\C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	SGS	(e)-(2s,3r,4s,5s,6r)-tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)-2h-pyran-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=S)N	SGT	2-amino-9-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-1,9-dihydro-6h-purine-6-thione
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N	SGV	sangivamycin
+COc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl	SGW	3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2h)-one
+COP(=O)(N)OC[C@@H](C(=O)O)N	SGX	o-[(s)-amino(methoxy)phosphoryl]-l-serine
+c1ccc2c(c1)cccc2CC=O	SGZ	2-naphthalen-1-ylethanal
+C[C@@]\1([C@@H](C2/C=C\3/[C@@]([C@@H](/C(=C/C4=N[C@H](C[C@H]5C(=C(C(=N5)/C=C1\N2)CC(=O)O)CCC(=O)O)[C@H]([C@@H]4CC(=O)O)CCC(=O)O)/N3)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O	SH0	3,3',3'',3'''-[(1r,2s,3s,4s,7s,8s,11s,12s,13s,16s,19s)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-1,2,3,4,7,8,11,12,13,16,19,20,22,24-tetradecahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate
+C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)CO)NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1	SH1	n-[(2-phenylethyl)sulfonyl]-d-seryl-n-[(1s)-4-[(diaminomethylene)amino]-1-(hydroxymethyl)butyl]-l-alaninamide
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O	SH2	(r)-n-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O	SH3	n-[2-(1,3-benzodioxol-5-yl)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+C[C@@H](c1ccccc1)OP(=O)(Cc2ccc(cc2)NC(=O)C)[O-]	SH4	(1r)-1-phenylethyl 4-(acetylamino)benzylphosphonate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCCCCCCBr)O)O)N	SH5	5'-o-[(s)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine
+C(CCCC(=O)O)CCCBr	SH6	8-bromooctanoic acid
+Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)Cl	SH7	(3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate
+Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O	SH8	6-methyl-2-oxidanylidene-chromene-3-carboxylic acid
+c1ccc(c(c1)C(=O)NO)O	SHA	salicylhydroxamic acid
+COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	SHB	methyl beta-d-galactopyranuronate
+CCCCCCSC[C@@H](C(=O)O)N	SHC	s-hexylcysteine
+C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O	SHD	alpha-d-altropyranose
+CC(=O)CCC(=O)O	SHF	laevulinic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O	SHG	2-deoxy-2-fluoro-beta-d-glucopyranose
+c1ccc(cc1)NC(=O)CCCCCCC(=O)NO	SHH	octanedioic acid hydroxyamide phenylamide
+c1c(c(no1)O)C[C@@H](C(=O)O)N	SHI	(s)-2-amino-3-(3-hydroxy-isoxazol-4-yl)propionic acid
+CC1=C(C(=O)C=C(O1)C(=O)O)O	SHL	5-hydroxy-6-methyl-4-oxo-4h-pyran-2-carboxylic acid
+C1[C@H]2[C@@H]([C@@H](S1)CCCCCC(=O)O)NC(=O)N2	SHM	homobiotin
+CC1(/c/2c/c3n/c(c\c4c(c(c([nH]4)cc5nc(/cc(\[nH]2)/C1CCC(=O)O)C(=C5CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)/C(C3CCC(=O)O)(C)CC(=O)O)CC(=O)O	SHN	3,3',3'',3'''-[(7s,8s,12s,13s)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
+C(CCO)CC(=O)O	SHO	5-hydroxylaevulinic acid
+c1cc(ccc1[C@@H](C(=O)O)N)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	SHP	(4-hydroxymaltosephenyl)glycine
+C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N	SHR	n-(5-amino-5-carboxypentyl)glutamic acid
+C[C@H]([C@@H](C(=O)O)NC(=O)C=CCCCCSSCCS(=O)(=O)O)OP(=O)(O)O	SHT	o-phosphono-n-{(2e)-7-[(2-sulfoethyl)dithio]hept-2-enoyl}-l-threonine
+CC(=O)CC(=O)CCC(=O)O	SHU	4,6-dioxoheptanoic acid
+CCCCCCC(=O)O	SHV	heptanoic acid
+CCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O)O	SHW	s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3r)-3-hydroxyoctanethioate
+Cc1c(c(nc(n1)c2ccccn2)N[C@H](Cc3ccccc3)C(=O)N)Cl	SHX	nalpha-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-d-phenylalaninamide
+[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2C[C@@H](C4)O)C(=O)N(C3=O)Cc5ccc6c(c5)OCO6)/N	SHY	4-[(3as,4r,7r,8as,8br)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)([O])OO)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI0	[n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappao)hydroxycopper
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)CCCC)/N	SI1	n-(butylsulfonyl)-d-seryl-n-{4-[amino(imino)methyl]benzyl}-l-alaninamide
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	SI2	o-sialic acid (chair conformation)
+CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	SI3	5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-non-2-ulosonic acid
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=C1C=CC=C4)CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI4	[cuii(biot-pr-dpea)]2+
+Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N	SI5	(4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(1-methyl-1h-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)c4c[nH]nc4	SI6	(4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(1h-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI7	[n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)OO)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI8	[n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappao)copper
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=CC=CC=C41)CCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI9	[cuii(biot-bu-dpea)]2+
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	SIA	n-acetyl-alpha-neuraminic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N=CNC2=O	SIB	(2s)-2-amino-4-({[(2s,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9h-purin-9-yl)tetrahydrofuran-2-yl]methyl}thio)butanoic acid
+C1[C@@H](C(=O)N(C1=O)[C@@H](CS)C(=O)O)N	SIC	(2r)-2-[(3s)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CSC(=O)C)O)O)(C(=O)O)OC)O	SID	methyl 9-s-acetyl-5-acetamido-3,5-dideoxy-9-thio-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+CCCCCCCCCCn1c2cc(ccc2cc1c3ccc(cc3)OS(=O)(=O)N)OS(=O)(=O)N	SIE	sulfamic acid 1-decyl-2-(4-sulfamoyloxyphenyl)-1h-indol-6-yl ester
+C[Si](C)(C)C(CC(=O)O)C(=O)O	SIF	3-trimethylsilylsuccinic acid
+C\C=C(/C)\C=C\C=C[C@H](C)[C@H](C)[C@H](C)[C@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C	SIG	stigmatellin
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)OC(=O)CCC(=O)O)C	SIH	progesterone-11-alpha-ol-hemisuccinate
+CC(=O)Nc1ccc(cc1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5	SII	n-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide
+c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	SIJ	6-(1,9-diazaspiro[5.5]undecan-9-yl)-9h-purine
+CC1(OC[C@@H](O1)CO[P@](=O)(CCCCC=C)O)C	SIL	[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate
+CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C	SIM	simvastatin acid
+C(CC(=O)O)C(=O)O	SIN	succinic acid
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)OC(=O)C	SIO	methyl 4,9-di-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F	SIP	8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
+C[C@]1(C2C=C3[C@H]([C@](C4=Cc5c(c(c6n5[Co+2]7(N43)N2C(=C1CCC(=O)O)C=C8N7C(=C6)C(=C8CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O	SIR	cobalt sirohydrochlorin
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O	SIS	(1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside
+[O][W]1234O[W]567(O18[Si]91O%10%11[W]%12%13(O2)(O[W]%102(O5)(O[W]%115(O%12)(O[W]%10%11%12(O99[W](O%10)(O3)(O%13)(O[W]93(O%11)(O[W]8(O4)(O6)(O[W]46(O3)(O11[W](O4)(O7)(O2)(O[W]1(O6)(O5)(O%12)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	SIW	keggin (sta)
+c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)CC(=O)NCCc5c[nH]nc5)F	SIX	2-{5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluorophenyl}-n-[2-(1h-pyrazol-4-yl)ethyl]acetamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)F)O)O)O	SIZ	2-deoxy-2-[(difluoroacetyl)amino]-beta-d-galactopyranose
+[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)OCC(C)C	SJ1	n-(isobutoxycarbonyl)-d-seryl-n-((1s)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-l-alaninamide
+[H]/N=C(/N)\NCCC[C@@H](CO)N(C)C(=O)C	SJ2	~{n}-[(2~{s})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-~{n}-methyl-ethanamide
+C1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O	SJ5	(3s,4r,5r)-4,5-dihydroxypiperidine-3-carboxylic acid
+c1cc(ccc1/C=C/C(=O)O)F	SJ8	(~{e})-3-(4-fluorophenyl)prop-2-enoic acid
+C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C	SJA	amorphadiene
+COc1ccc(c(c1)F)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F	SJD	3,5-bis(fluoranyl)-~{n}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide
+CCOC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C	SJG	ethyl ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate
+COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3	SJJ	5-(4-methoxyphenyl)-n-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
+C1CSC2=NC=C(C(=O)N21)C(=O)NCCS	SJK	5-oxidanylidene-~{n}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
+CC#CC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C	SJM	~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide
+Cc1ccc2c(n1)NC=C(C2=O)C(=O)O	SJN	4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
+C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H](CC[C@@H](O4)CN)N)O)O)NC(=O)[C@H]([C@@H](CN)F)O)N)N	SJP	(2r,3r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranosyl)oxy]-3-{[3-o-(2,6-diamino-2,3,4,6-tetradeoxy-beta-l-threo-hexopyranosyl)-beta-d-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide
+C1CC(CCC1CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)(F)F	SJQ	4-[4-[[4,4-bis(fluoranyl)cyclohexyl]methyl]-3-oxidanylidene-piperazin-1-yl]-5-chloranyl-1~{h}-pyridazin-6-one
+COc1ccc(cc1)C(=O)Nc2ccccn2	SJR	4-methoxy-n-(pyridin-2-yl)benzamide
+c1cc(c(c(c1)F)c2cc3c([nH]nc3nc2)C4=CC(=O)NC(=N4)N5CCC(CC5)O)F	SJS	4-[5-[2,6-bis(fluoranyl)phenyl]-2~{h}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{h}-pyrimidin-6-one
+C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2[C@H]([C@@](C[C@@](O2)(C)OC)(C)O)O)C)NC(=O)/C=C\[C@H](C)OC(=O)C	SJT	spliceostatin a (form ii)
+Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)cccc2NC(=O)OC	SJV	methyl ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate
+c1cc(cnc1)CCC=O	SJW	3-pyridin-3-ylpropanal
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)CC(=O)O	SJY	2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid
+Cc1c(cccc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3	SJZ	(~{e})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid
+c1ccc(cc1)[C@H]2CNCCc3c2cc(c(c3Cl)O)O	SK0	(1r)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)/N	SK1	n-(benzylsulfonyl)-d-seryl-n-{4-[amino(imino)methyl]benzyl}-l-alaninamide
+CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)OCc3ccccc3)NS(=O)(=O)O	SK2	(3r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid benzyl ester
+c1ccc(cc1)CNC2[C@H]([C@H]([C@H]([C@H]2O)O)O)O	SK3	(1r,2r,3s,4s,5r)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol
+COc1cccc(c1)Nc2c3cc(ccc3ncc2C(=O)N)S(=O)(=O)C	SK4	4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide
+c1ccc(cc1)/C=C/C(=O)c2ccc(cc2)C(F)(F)F	SK5	(e)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)NCCc3ccccn3)C#N	SK6	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile
+CC1=C(N(C(=O)NC1=O)C)C=C(CO)CO	SK7	6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione
+c1cc(ccc1c2c(n3c(n2)SCC3)c4ccncc4)F	SK8	6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
+Cc1cccc(c1)[C@H]2CN(CCc3c2cc(c(c3Cl)O)O)C	SK9	(1r)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
+c1cc(c(c2c1CCNC2)Cl)Cl	SKA	7,8-dichloro-1,2,3,4-tetrahydroisoquinoline
+c1ccc(cc1)/C=C/C(=O)c2cccc(c2)C(F)(F)F	SKB	(e)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
+CC(=O)N[C@@H]1[C@H](C[C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)O	SKD	2-acetylamino-7-(1,2-dihydroxy-ethyl)-3-hydroxy-6,8-dioxa-bicyclo[3.2.1]octane-5-carboxylic acid
+c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F	SKE	4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1h-1,2,4-triazol-3-yl}amino)benzenesulfonamide
+c1cc2c(cc1S(=O)(=O)N)CNCC2	SKF	1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid amide
+C[C@H]([C@@H](C(=O)O)N)C(C)C	SKG	 4-methylisoleucine
+C[C@](CC(=O)NCCCC[C@@H](C(=O)O)N)(CC(=O)O)O	SKH	(3~{s})-5-[[(5~{s})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid
+CCC[C@@H](C)[C@@H](C(=O)O)N	SKJ	beta-methylnorleucine
+Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N	SKK	n-[2-({2-[(2s)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
+C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O	SKM	(3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
+B([C@H](Cc1cccc(c1)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O	SKN	((r)-2-(3-ethylphenyl)-1-((s)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid
+Cc1cc(nc(c1)N)CCc2cccc(n2)N(C)CCNC	SKO	n'-[6-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]pyridin-2-yl]-n,n'-dimethyl-ethane-1,2-diamine
+C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)OP(=O)(O)O	SKP	5-(1-carboxy-1-phosphonooxy-ethoxyl)-4-hydroxy-3-phosphonooxy-cyclohex-1-enecarboxylic acid
+C1CCC(CC1)N2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl	SKQ	5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{h}-pyridazin-6-one
+c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@H]2O)O)C(=O)O)O	SKT	(3~{r},4~{r},5~{r})-5-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylic acid
+CC(C)[C@H](C(=O)N1CCC2(CC1)C(=O)N(C(=O)N2c3ccc4c(c3)c[nH]n4)C)NC(=O)c5cc(ccc5F)C(F)(F)F	SKV	2-fluoranyl-~{n}-[(2~{r})-1-[1-(2~{h}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide
+C[C@]1(CCSC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br	SKW	~{n}-[3-[(4~{s})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
+c1ccc2cc(ccc2c1)c3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	SKY	1-beta-d-glucopyranosyl-4-naphthalen-2-yl-1h-1,2,3-triazole
+C=C1N2CCCNC(=O)CC34CC(=O)NCCCN5C(=C)O[Fe](O1)(O3)(O2)(O5)OC4=O	SKZ	[2-(hydroxy-kappao)-4-[(3-{(hydroxy-kappao)[1-(hydroxy-kappao)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappao)[1- (hydroxy-kappao)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappao]iron
+CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)OC(=O)C)OC(=O)C	SL0	5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 3,4-di-o-acetyl-6-deoxy-alpha-l-mannopyranoside
+c1ccc(cc1)CS(=O)(=O)N[C@@H]2C(=O)N(c3ccccc3C(=N2)c4ccccc4)CC(=O)N[C@@H](CCCNC(=N)N)C=O	SL1	n-((1s)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-2-{(3r)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-1-yl}acetamide
+CC1(C=C(C(N1O)(C)C)C(=O)O[C@@H]2C[C@H](O[C@H]2n3cnc4c3ncnc4N)CO[P@](=O)(O)OP(=O)(O)O)C	SL2	3'-deoxy-2'-o-(2,2,5,5-tetramethyl-1-oxyl-pyrrolin-3-yl) adenosine 5'-diphosphate
+CC1(C=C(C(N1O)(C)C)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N)C	SL3	2'-deoxy-3'-o-(2,2,5,5-tetramethyl-1-oxyl-pyrrolin-3-yl) adenosine 5'-diphosphate
+CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C#N)F)C3=NS(=O)(=O)c4c3cccc4)O	SL4	5-[[(2~{s})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{h}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile
+C[C@@H]1[C@H](N[C@@H](O1)COCCO)C(=O)O	SL5	(2s,4s,5r)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid
+c1cc(ccc1CC2(CCN(CC2)CC3CCCCC3)C(=O)/C=C(/C(=O)O)\O)Cl	SL6	(z)-4-[4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid
+CN(C)c1nc(on1)c2cccc(c2O)CNc3ccc4c(c3)c([nH]n4)C(=O)O	SL7	5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{h}-indazole-3-carboxylic acid
+C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2cccc(c2)NC(=O)c3ccc(cn3)Br	SL8	~{n}-[3-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
+C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O	SLA	omuralide, open form
+CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	SLB	n-acetyl-beta-neuraminic acid
+C=C(C[SeH])C(=O)N1CCCC1C(=O)O	SLC	seleno-captopril
+CC\1=NC(=O)NC(=O)/C1=C\CC(=O)NCCC\C=C\c2ccc(cc2F)N3C[C@@H](OC3=O)CNC(=O)C	SLD	(3z)-n-[(4e)-5-(4-{(5s)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2h)-ylidene)propanamide
+CC(C)C[C@H](CS)C(=O)O	SLE	2-(thiomethylene)-4-methylpentanoic acid
+CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](\C=C\CCCCCCCCCCCCC)O	SLF	sulfate-3-d-galactosyl-beta-1-1-n-stearoyl-d-sphingosine
+CN(Cc1ccc(cc1c2ccc(c(c2)Cl)C(=O)O)F)C(=O)c3cc4ccc(cc4[nH]3)Cl	SLG	2-chloranyl-4-[2-[[(6-chloranyl-1~{h}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid
+c1ccc(cc1)NCCC(=O)N2C[C@@H]3CCCC[C@H]3C[C@@H]2CN[C@@H](Cc4cnc[nH]4)C=O	SLH	(2s)-3-(1h-imidazol-5-yl)-2-({[(3r,4as,8ar)-2-(n-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
+c1ccc(cc1)NC(=O)c2ccccc2O	SLI	2-hydroxy-n-phenylbenzamide
+CCCOc1c(cccn1)CN(C)c2ccc3c(c2)c([nH]n3)C(=O)O	SLJ	5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{h}-indazole-3-carboxylic acid
+Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(CO[C@@](C(=N3)N)(C)C(F)(F)F)C)F)C#N	SLK	~{n}-[3-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide
+C(CCNC(=O)CCC(=O)O)C[C@@H](C(=O)O)N	SLL	(2s)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid
+CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)N)O)O	SLM	(2s,4s,5r,6r)-5-acetamido-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
+CC1(C[C@H](C([N@@]1O)(C)C)C(=O)NC[C@H](CNc2ccc(cc2[N+](=O)[O-])N=[N+]=[N-])O[P@@](=O)(O)OP(=O)(O)O)C	SLN	1-(4-azido-2-nitrophenyl)amino-3-(1-oxyl-2,2,5,5-tetramethylpyrrolidinyl-3-carbamido)-2-propyldisphosphate
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)S(=O)(=O)C)F)CC(=O)O	SLO	2-[(3z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid
+C(C[SeH])C(=O)O	SLP	3-selanylpropanoic acid
+CC[C@@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4	SLQ	(2s)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9h-purin-2-yl}amino)butan-1-ol
+C[C@@H]1[C@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)O)O	SLR	(3r,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-d-proline
+c1cc2c(cc1C(=O)N)CCCO2	SLS	3,4-dihydro-2~{h}-chromene-6-carboxamide
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O	SLT	5-(acetylamino)-3,5-dideoxynon-2-ulopyranonosyl-(2->3)-beta-d-lyxo-hexopyranosyl-(1->4)hexopyranose
+c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	SLU	5'-o-[n-(dehydroluciferyl)-sulfamoyl] adenosine
+CCCc1ccc(cc1O)NC(=O)C	SLV	~{n}-(3-oxidanyl-4-propyl-phenyl)ethanamide
+CC[C@H](C1[C@H]2[C@@H]1CC(C2)Oc3ccnc4c3cccc4)NC(=O)c5ccc(cc5)Cl	SLW	4-chloranyl-n-[(1r)-1-[(1s,5r)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
+COc1ccc2c(c1O)C[N@]3CCc4cc(c(cc4[C@@H]3C2)O)OC	SLX	(13as)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6h-isoquino[3,2-a]isoquinoline-2,9-diol
+c1ccc(cc1)Oc2ccccc2CN	SLY	(2-phenoxyphenyl)methanamine
+C(CSC[C@@H](C(=O)O)N)N	SLZ	l-thialysine
+[Sm+3]	SM	samarium (iii) ion
+[H]/N=C(/N)\Nc1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2	SM1	n-(benzylsulfonyl)-d-seryl-n-(4-{[amino(imino)methyl]amino}benzyl)-l-alaninamide
+B([C@H](c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O	SM2	(1r)-1-(2-thienylacetylamino)-1-(3-carboxyphenyl)methylboronic acid
+B([C@H](c1ccccc1)NC(=O)Cc2cccs2)(O)O	SM3	(1r)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid
+B([C@H](c1cccc(c1)\C=C\C(=O)O)NC(=O)Cc2cccs2)(O)O	SM4	(1r)-1-(2-thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid
+c1cc\2c(cc1c3cn(nc3c4ccncc4)C5CCNCC5)CC/C2=N\O	SM5	(1e)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1h-pyrazol-4-yl)-2,3-dihydro-1h-inden-1-one oxime
+CCOC(=O)c1c(c2ccncc2s1)NC3=CC4=CCC(=C4C=C3)NO	SM6	ethyl 3-{[1-(hydroxyamino)-2h-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate
+c1cnccc1c2c(cn(n2)C3CCNCC3)C4=CC5=CC6=CN=NC6=C5C=C4	SM7	6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1h-pyrazol-4-yl]indeno[1,2-c]pyrazole
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)\C=C\C=C\C=C\C=C\C(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C	SM8	simocyclinone d8
+CCOCCN(C[C@H](C[N@]1CCC[C@]2(C1)CC[N@@](C2)c3c4ccccc4ncn3)O)S(=O)(=O)c5c(cccc5C)C	SM9	n-(2-ethoxyethyl)-n-{(2s)-2-hydroxy-3-[(5r)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide
+C/C=C(\C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC	SMA	stigmatellin a
+CC[C@H](C)C(=O)O	SMB	2-methylbutanoic acid
+CSC[C@@H](C(=O)O)N	SMC	s-methylcysteine
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	SMD	methyl-2-s-(alpha-d-mannopyranosyl)-2-thio-alpha-d-mannopyranoside
+C[S@@](=O)CC[C@@H](C(=O)O)N	SME	methionine sulfoxide
+c1cc(ccc1C[C@@H](C(=O)O)N)CS(=O)(=O)O	SMF	4-sulfomethyl-l-phenylalanine
+CSCC[C@H](C(=O)O)NC(=O)CCC(=O)O	SMG	n-succinyl methionine
+CCOCCN(C[C@H](C[N@]1CCC[C@]2(C1)CC(=O)c3cc(ccc3O2)O)O)S(=O)(=O)c4c(cccc4C)C	SMH	n-(2-ethoxyethyl)-n-{(2s)-2-hydroxy-3-[(2r)-6-hydroxy-4-oxo-3,4-dihydro-1'h-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide
+C[C@@H]1CC([C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O)(O)O	SMI	spectinomycin
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCN)N	SMK	(3s,6s,7r,9as)-6-{[(2s)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-n-(diphenylmethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide
+CS(=O)(=O)c1ccccc1	SML	phenyl methyl sulfone
+COC(=O)[C@H](CC[S@H](C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	SMM	s-adenosylmethionine methyl ester
+c1ccc(cc1)[C@@H](C(=O)O)O	SMN	(s)-mandelic acid
+O=[Mo](=O)=S	SMO	dioxosulfidomolybdenum(vi) ion
+C[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O	SMP	2'-deoxy-adenosine-5'-sp-monomethylphosphonate
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC(=O)C	SMQ	simocyclinone c4
+CCOCC[N@@](C[C@H](C[N@]1CCC[C@]2(C1)CCc3c(ccc4c3cn[nH]4)O2)O)S(=O)(=O)c5c(cccc5C)C	SMR	n-{(2s)-3-[(3s)-8',9'-dihydro-1h,3'h-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-n-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide
+CC1(O[C@H]2[C@H]3[C@@H](CO[C@]2(O1)COS(=O)(=O)N)OS(=O)(=O)O3)C	SMS	sulfamic acid 2,3-o-(1-methylethylidene)-4,5-o-sulfonyl-beta-fructopyranose ester
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCSC	SMT	2'-[(methylthio)ethyloxy]-thymidine-5'-monophosphate
+c1ccc(cc1)c2c3ccc4n3[Mn]56n7c(ccc7c(c8[n+]5c(c4)C=C8)c9ccccc9)cc1[n+]6c2C=C1	SMU	[5,15-diphenylporphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]manganese
+c1cc(sc1)C(=S)N	SMV	thiophene-2-carbothioamide
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(O)(O)(OC[C@@H](C(=O)O)N)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC	SMW	(2s)-2-amino-3-[[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[(2r)-2,3-bis[[(z)-octadec-9-enoyl]oxy]propoxy]-dihydroxy-lambda^5-phosphanyl]oxy-propanoic acid
+Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(c4ccccc4)O)SC2)C(=O)O	SMX	(6r,7r)-7-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+C[C@H]1c2c(ncnc2N3CCN(CC3)C(=O)[C@@H](Cc4c[nH]c5c4cccc5)N)CS1	SMY	(2r)-3-(1h-indol-3-yl)-1-{4-[(5s)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\SC	SMZ	n~5~-[(e)-imino(methylsulfanyl)methyl]-l-ornithine
+CCC[C@@H](C(=O)O)NC(=O)CCC(=O)O	SN0	n-(3-carboxypropanoyl)-l-norvaline
+c1cc(c(cc1O)O)\C=C\C(=O)O	SN1	2,4-dihydroxy-trans cinnamic acid
+c1c(c(cc(c1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N	SN2	5-[bis-2(chloro-ethyl)-amino]-2,4-dintro-benzamide
+[H]/N=C(\N)/N1CC=C(C1)CCNC(=O)[C@@H]2C[C@@H]3C[C@@H]([C@H](C[C@@H]3N2C(=O)[C@@H]([C@@H](C(C)C)Cl)NC(=O)[C@@H](COS(=O)(=O)O)OC)O)O	SN3	(r)-3-((2s,3r)-1-((2s,3ar,5s,6s,7as)-2-(2-(1-carbamimidoyl-2,5-dihydro-1h-pyrrol-3-yl)ethylcarbamoyl)-5,6-dihydroxyocta hydro-1h-indol-1-yl)-3-chloro-4-methyl-1-oxopentan-2-ylamino)-2-methoxy-3-oxopropyl hydrogen sulfate
+COc1ccc(cn1)C(=S)N	SN4	6-methoxypyridine-3-carbothioamide
+CC(=S)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	SN5	2-deoxy-2-(ethanethioylamino)-beta-d-glucopyranose
+C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3)Nc4cc[n+](c5c4cccc5)C	SN6	1-methyl-4-[4-[4-(4-(1-methylquinolinium)amino)benzamido]anilino]pyridinium
+C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3N)Nc4cc[n+](c5c4cc(cc5)N)C	SN7	4-[4-[2-amino-4-[4,6-(n-methylquinolinium)amino]benzamido]anilino]-n-methylpyridinium mesylate
+Cc1ccc2c(c1)C(=CCN2C)NC3CCC(CC3)C(=O)NC4CCC(CC4)NC5CCN(CC5)C	SN8	1,6-dimethyl-4-(4-(4-(1-methylpyridinium-4-ylamino)phenylcarbamoyl)phenylamino)quinolinium
+CN1CCC(CC1)NC2CCC(CC2)NC(=O)C3CCC(CC3)NC4=CCN(c5c4cccc5OC)C	SN9	8-methoxy-1-methyl-4-(4-(4-(1-methylpyridinium-4-ylamino)phenylcarbamoyl)phenylamino)quinolinium
+c1cc(ccc1C[C@@H](C(=O)NCCCCCC(=O)N[C@H](CS)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O	SNA	n-{1-[5-(1-carbamoyl-2-mercapto-ethylcarbamoyl)-pentylcarbamoyl]-2-[4-(difluoro-phosphono-methyl)-phenyl]-ethyl}-3-{2-[4-(difluoro-phosphono-methyl)-phenyl]-acetylamino}-succinamic acid
+COc1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Br	SNB	1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline
+C([C@@H](C(=O)O)N)SN=O	SNC	s-nitroso-cysteine
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=S)N	SND	thionicotinamide-adenine-dinucleotide
+CC(C)[C@@]12CCC(=C)[C@@H]1C2	SNE	sabinene
+C[C@@H]1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=[N]45)C=CC=C3	SNF	(n1e, n2e)-n1, n2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(ii) salt
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se]C)CO)O)O	SNG	methyl 2-acetamido-2-deoxy-1-seleno-beta-d-glucopyranoside
+Cc1ccc(c(c1)C)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(s3)C(=O)C	SNH	5'-acetyl-4-{[(2,4-dimethylphenyl)sulfonyl]amino}-2,2'-bithiophene-5-carboxylic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=[Se]	SNI	9-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purine-6-thione
+c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3	SNJ	2,5-diphenyl-4~{h}-pyrazol-3-one
+CC(=O)Sc1c([nH]cn1)C[C@H](C(=O)O)N	SNK	(2~{r})-2-azanyl-3-(4-ethanoylsulfanyl-1~{h}-imidazol-5-yl)propanoic acid
+CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C	SNL	spironolactone
+CN(C)[C@@H](CO)C(=O)O	SNM	n,n-dimethyl-l-serine
+C1[C@@H](C(=O)NC1=O)N	SNN	l-3-aminosuccinimide
+c1cc(ccc1[C@H]2CO2)[N+](=O)[O-]	SNO	(s)-para-nitrostyrene oxide
+CC(C)NC[C@@H](COc1cccc2c1cccc2)O	SNP	1-(isopropylamino)-3-(1-naphthyloxy)-2-propanol
+c1ccn(c1)c2ccc(cc2C#N)N	SNQ	5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile
+C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2	SNR	norbiotin
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CC[N@]4CC[C@@H](C4)F)NC(=O)CC[N@]5CC[C@@H](C5)F	SNS	3,6-bis(3-(3'-(s)-fluoropyrrolindino)propionamido)acridine
+Cc1c(c(n(n1)c2ccccc2)C)/C=N/N3CCN(CC3)Cc4ccccc4	SNT	(e)-n-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)methanimine
+c1ccn(c1)c2ccc(cc2)N	SNU	4-(1h-pyrrol-1-yl)aniline
+c1ccc(c(c1)N)N2CCN(CC2)CCO	SNV	2-[4-(2-aminophenyl)piperazin-1-yl]ethanol
+C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O)N)C(=O)O)O)O)O)O	SNW	deoxyfructosylglutamine
+COCCNc1cc(ccc1C(=O)N)n2c3ccccc3c4c2CCCC4=O	SNX	2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9h-carbazol-9-yl)benzamide
+COc1cc(cc(c1O)OC)/C=C/C=O	SNY	(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
+c1cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O	SNZ	n-(3,4-dihydroxyphenyl)-n'-[2-(3,4-dihydroxyphenyl)ethyl]urea
+C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@H]4CC([C@@]3([C@@]2(C4)C=O)C(=O)O)C(C)C)CO[C@H]5[C@H]([C@@H]([C@@H]([C@H](O5)C)OC)O)O	SO1	[1r-(1.alpha.,3a.beta.,4.beta.,4a.beta.,7.beta.,7a.alpha.,8a.beta.)]8a-[(6-deoxy-4-o-methyl-beta-d-altropyranosyloxy)methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1h)-carboxylic acid
+O=S=O	SO2	sulfur dioxide
+[O-]S(=O)[O-]	SO3	sulfite ion
+[O-]S(=O)(=O)[O-]	SO4	sulfate ion
+C[C@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	SO5	(2~{r})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid
+CN(C(=O)[C@H]1CC(=O)N(C1)c2ccc(cc2)OC)OC	SO7	(3~{s})-~{n}-methoxy-1-(4-methoxyphenyl)-~{n}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N	SO8	2'-(l-isoleucyl)amino-2'-deoxyadenosine
+c1ccc(c(c1)CO)N	SOA	isatoic anhydride
+C([C@@H](C(=O)O)N)[SeH](=O)=O	SOC	dioxyselenocysteine
+C[C@@H]1[C@@H](C[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5C[C@@H]6[C@@H]([C@H](O5)C)OCC6=C)Cl	SOD	(1s,4s,5s,6r,9s,11s)-6-chloro-9-formyl-13-isopropyl-5-methyl-2-({[(3ar,5r,7r ,7as)-7-methyl-3-methylenehexahydro-2h-furo[2,3-c]pyran-5-yl]oxy}methyl)tetr acyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic aci
+C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O	SOE	alpha-l-sorbopyranose
+CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccccc4	SOF	2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone
+CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	SOG	octyl 1-thio-beta-d-glucopyranoside
+OS(=O)(=O)[O-]	SOH	hydrogen sulfate
+c1ccc(cc1)Nc2ccc(cc2)N	SOJ	~{n}4-phenylbenzene-1,4-diamine
+C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O	SOL	l-sorbose
+C[P@H](=O)O	SOM	methyl phosphinic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)CP(=O)(O)O)O)O)N	SON	adenosine phosphonoacetic acid
+CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SOO	s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (e)-oct-2-enethioate
+CC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	SOP	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)thio]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate
+CN[C@@H](CC(=O)O)C(=O)O	SOQ	n-methyl-l-aspartic acid
+C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O	SOR	sorbitol
+c1ccc(cc1)CN(C=O)C2=C(N=C(NC2=O)N)N[C@@H]3C[C@@H]([C@H](C3)O)COP(=O)(O)O	SOS	[(1r,2s,4r)-4-({2-amino-5-[benzyl(formyl)amino]-6-oxo-1,6-dihydropyrimidin-4-yl}amino)-2-hydroxycyclopentyl]methyl dihydrogen phosphate
+C1COCCN1S(=O)(=O)O	SOT	morpholine-4-sulfonic acid
+Cc1ccc(cc1C#N)N2C(=O)C=CC2=O	SOV	5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile
+CC1([C@@H](N2[C@H]([S@H]1O)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C	SOX	n-[(2s,4s,6r)-2-(dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylac etamide
+Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)OC[C@@H](C(=O)O)N	SOY	oxacillin-acylated serine
+c1cc(cc(c1)S(=O)(=O)Nc2cc(nn2c3ccc(cc3)F)c4cccs4)F	SP0	3-fluoro-n-[1-(4-fluorophenyl)-3-(2-thienyl)-1h-pyrazol-5-yl]benzenesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N	SP1	6-(6-amino-purin-9-yl)-2-thioxo-tetrahydro-2-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol
+CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCCC(C)(C)OC)/C)/C)/C)C	SP2	3,4-dihydrospheroidene
+c1cc(sc1)c2cc(n(n2)c3ccc(cc3)F)NS(=O)(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F	SP3	n-[1-(4-fluorophenyl)-3-(2-thienyl)-1h-pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
+CC(=O)NCCCNCCCCNCCCN	SP5	n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
+c1ccc(cc1)CN2C(=O)C=C3N(C2=O)C=C(S3)C(=O)OCc4ccccc4	SP6	benzyl 6-benzyl-5,7-dioxo-6,7-dihydro-5h-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylate
+C[C@@H](CCNCCCCN)NC(=O)C	SP7	n-{(1s)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide
+C[C@@H](CCNCCCCN)NC(=O)c1ccccc1	SP8	n-{(1s)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide
+C[C@H](CCNCCCCN)NC(=O)c1ccccc1	SP9	n-{(1r)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide
+c1cc(sc1)CC(=O)O	SPA	thiopheneacetic acid
+c1ccc(cc1)\C=C\c2ccc(cc2)NC(=O)CCCC(=O)O	SPB	4-(4-styryl-phenylcarbamoyl)-butyric acid
+COc1ccc(cc1)S(=O)(=O)[N@@]2CC(C[C@@H]2C(=O)NO)NOC	SPC	n-hydroxy 1n(4-methoxyphenyl)sulfonyl-4-(z,e-n-methoxyimino)pyrrolidine-2r-carboxamide
+C(CCNCCCN)CN	SPD	spermidine
+C(CN)CNCCCNCCCN	SPE	thermine
+CC1([C@H](C1(C(=O)NCCC(=O)NCCSC(=O)\C=C\c2cc(c(c(c2)OC)O)OC)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)C	SPF	sinapoyl coenzyme a
+c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O	SPG	2-deamino-6-deoxy-6thiophosphite-5'-phosphate guanosine
+CCCCCCCCCCCCCC=C[C@@H]([C@@H](CO)N)O	SPH	sphingosine
+COc1ccc(cc1)S(=O)(=O)[N@@]2CCN(C[C@@H]2C(=O)NO)C(=O)OCc3ccccc3	SPI	n-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-benzyloxycarbonyl-piperazine-2-carboxamide
+C[C@H](CCNCCCCNCC[C@@H](C)N)N	SPJ	(3r,3'r)-n~1~,n~1~'-butane-1,4-diyldibutane-1,3-diamine
+C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+]	SPK	spermine (fully protonated form)
+CCCCCCCCCCCCCC=C[C@H](C(CO)NC(=O)CCCCCCC)O	SPL	octanoic acid (2-hydroxy-1-hydroxymethyl-heptadec-3-enyl)-amide
+C(CCNCCCN)CNCCCN	SPM	spermine
+CC(CC\C=C(/C)\CCCC/C(=C/CCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C)C	SPN	speroidenone
+CC(=CCCC(=CCC/C(=C/C=CC(=CC=C\C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=CCC(C)(C)OC)C)/C)C)C	SPO	spheroidene
+CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)NS(=O)(=O)C	SPP	(1-(5-methansulphonamido-1h-indol-2-yl-carbonyl)4-[methylamino)pyridinyl]piperazine
+C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](CF)(C(=O)O)OP(=O)(O)O	SPQ	(3r,4s,5r)-5-{[(1r)-1-carboxy-2-fluoro-1-(phosphonooxy)ethyl]oxy}-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
+C[C@@H]1C\C=C\C=C\[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C	SPR	spiramycin i
+CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](CO)C[S@@](=O)CSC	SPS	sparsomycin
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CSP(=O)(O)O)O	SPT	5'-thio-thymidine phosphonic acid
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)N)O	SPU	2-{[(r)-{[(2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-n,n,n-trimethylethanaminium
+C(C(=O)C(=O)O)S(=O)(=O)O	SPV	sulfopyruvate
+[2H][N+]([2H])([2H])CCC[N+]([2H])([2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H]	SPW	n,n'-bis(3-ammoniopropyl)butane-1,4-diaminium
+C[C@H]1\C=C\[C@H](C[C@@H]([C@H]([C@H]2[C@H](C(=CC(=O)O2)C[C@@H](C/C(=C/C=C\C(=O)O[C@@H]([C@H](\C=C\[C@@H](C[C@@H]1O)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)OC)/C)OC)O)C)OC)OC	SPX	sphinxolide b
+c1cnccc1S(=O)(=O)O	SPY	pyridine-4-sulfonic acid
+C[C@@H](CCNCCCCNCC[C@H](C)N)N	SPZ	(3s,3's)-n~1~,n~1~'-butane-1,4-diyldibutane-1,3-diamine
+CCNC1C(C(=O)C1=O)NC	SQ	3-ethylamino-4-methylamino-cyclobutane-1,2-dione
+C(CCCO)CCNC1=C(C(=O)C1=O)NCCOCCO	SQ0	3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione
+C1C[N]2(CCC3=[N]([Cu]2[N]4=C1C=CC=C4)C=CC=C3)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SQ1	[n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide]copper
+CC1CCN(CC1)C(=O)Cn2c3ccccc3nn2	SQ2	2-(1h-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one
+c1cc(ccc1N)N2C(=O)C=CC2=O	SQ4	1-(4-aminophenyl)pyrrole-2,5-dione
+c1c(cncc1F)N2C(=O)[C@@H](NC2=O)CC3CCCCC3	SQ5	(5s)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione
+c1cc(ccc1N2C(=O)C=NC2=O)Cl	SQ7	3-(4-chlorophenyl)imidazole-2,4-dione
+CNc1cc2c(cn1)C=C(C(=O)N2CC3OCC(CO3)N)c4ccc(cc4Cl)c5c(cccn5)F	SQ8	1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one
+Cc1c(cccc1S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N	SQ9	3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methylbenzenesulfonamide
+CC(=CCC/C(=C/CC/C(=C/CC\C=C(/C)\CC\C=C(/C)\CCCN(C)C)/C)/C)C	SQA	2-azasqualene
+Cc1ccc(c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC)OC	SQB	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC	SQD	1,2-di-o-acyl-3-o-[6-deoxy-6-sulfo-alpha-d-glucopyranosyl]-sn-glycerol
+CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cccc(n4)C(F)F)CC5OCC(CO5)N	SQE	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
+c1cc(ccc1NC(=O)CC#N)OC(F)(F)F	SQG	2-cyano-~{n}-[4-(trifluoromethyloxy)phenyl]ethanamide
+c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O	SQH	2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one
+Cc1ccc(c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC)F	SQK	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
+CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C	SQL	(6e,10e,14e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
+Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N	SQM	4-benzamido-2-methyl-pyrazole-3-carboxamide
+c1c2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=O	SQO	2-{[2-(4-morpholinyl)ethyl]amino}-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1ccc(c(c1)c2ccc(cc2)N)C(=O)O	SQP	2-(4-aminophenyl)benzoic acid
+Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)Nc6ccccc6OC	SQQ	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O	SQS	(2s,3r,4e)-2-aminooctadec-4-ene-1,3-diol
+CC(C)CCCCCCCCCCCC[C@@H](C)CCCCCCCC(C)C	SQU	2,10,23-trimethyl-tetracosane
+C[C@@H](c1cc(ccn1)OC)C(=O)OC	SQV	methyl (2~{s})-2-(4-methoxypyridin-2-yl)propanoate
+CC(C)OC(=O)CCC(=O)n1ccc2c1cccc2	SQW	propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate
+C[C@H]1C[C@H](OC1=O)C2=C([C@@H]3\C=C(\[C@H](C[C@@H]4CC[C@]5(O4)CC[C@@]6(O5)[C@](CC[C@H](O6)CC(=C)CCCC7=NC[C@@H]([C@H](C[C@]37CC2)C)C)(C)O)O)/C)C	SQX	13-desmethyl spirolide c
+COC(=O)[C@H](Cc1ccc(cc1)Br)c2ccncc2	SQY	methyl (2~{r})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate
+C[C@@H](c1ccc(cc1)F)n2c3c4cc(ccc4ncc3nn2)c5ccc6c(c5)nco6	SQZ	5-[1-[(1s)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole
+[Sr+2]	SR	strontium ion
+C(CC[NH2+]CCC[NH3+])C[NH3+]	SR0	n~1~-(3-azaniumylpropyl)butane-1,4-diaminium
+CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O	SR1	5-s-methyl-5-thio-alpha-d-ribofuranose
+CN(C)CC=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	SR2	(2e)-n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
+C[C@@]([C@H](C(=O)O)N/C=C/C=O)(C(=O)OCC(=O)N)S(O)O	SR3	(2s,3r)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1e)-3-oxoprop-1-en-1-yl]amino}butanoic acid
+c1ccc2c(c1)C(=CCCO2)C(=O)O	SR4	2,3-dihydro-1-benzoxepine-5-carboxylic acid
+CC(C)C[C@@H](C(=O)O)NC(=O)c1cc(n(n1)c2ccnc3c2ccc(c3)Cl)c4c(cccc4OC)OC	SR5	(2~{s})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid
+c1ccc(c(c1)c2cn3c(csc3n2)CN4CCNCC4)NC(=O)c5cnc6ccccc6n5	SR7	n-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide
+CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)Oc3ccncc3	SR8	1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea
+CC(C)C[C@@H](C(=O)O)NC(=O)c1cn(c2c1cccc2)S(=O)(=O)c3cccc4c3nccc4	SR9	(2~{s})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)O)O)O)N	SRA	adenosine -5'-thio-monophosphate
+[B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O	SRB	l-1-naphthyl-2-acetamido-ethane boronic acid
+[B-]([C@@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O	SRD	d-1-naphthyl-2-acetamido-ethane boronic acid
+CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl	SRE	(1s,4s)-4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
+CC(C)[C@H]1C=CC(=O)NCC\C=C\[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O	SRG	(2s)-2-[[(2s)-1-[[(5s,8s,9e)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid
+CCOC(=O)CCC(=O)N1CCc2c1cccc2	SRH	ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
+[H]/N=C(\CO)/C(=O)O	SRI	(2z)-3-hydroxy-2-iminopropanoic acid
+c1ccc(cc1)[C@@H]([C@H]2C3(CCC(N2CC4CC4)CC3)O)O	SRJ	(3~{s})-2-(cyclopropylmethyl)-3-[(~{s})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol
+c1ccc2c(c1)CCN2C(=O)CCC(=O)O	SRK	4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid
+CCOP(=O)(C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC	SRL	[2-(3,5-di-tert-butyl-4-hydroxy-phenyl)-1-(diethoxy-phosphoryl)-vinyl]-phosphonic acid diethlyl ester
+C[C@]1(C2=Cc3c(c(c4n3[Fe@]56N2C(=C1CCC(=O)O)C=C7N5C(=C([C@]7(C)CC(=O)O)CCC(=O)O)C=C8N6C(=C4)C(=C8CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)CC(=O)O	SRM	siroheme
+C[C@H]1[C@H]2C\C=C\[C@H]3[C@@H]([C@H]4C[C@@H](O3)[C@H](O4)/C=C/C=C\C=C/C(=O)O[C@H]5C=C[C@H](C\C=C\CC\C=C\[C@@H]([C@@H]([C@H](O2)C[C@@H]1O)O)O)O[C@H]5/C(=C/[C@H](C)CCCCC(=O)O)/C)C	SRN	sorangicin a
+c1cc2c(cc1O)c(c[nH]2)CCN	SRO	serotonin
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)[C@H](CO)N)O)O)N	SRP	seryl adenylate
+c1ccc2c(c1)CCN2C(=O)CCC(=O)OCC(F)F	SRQ	2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
+CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)OCC	SRR	4,4'-[2-(4-ethoxyphenyl)but-1-ene-1,1-diyl]diphenol
+CC(C)C[C@H](CS(=N)(=N)C)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O	SRS	4-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.0(13,18)]nonadeca-12(19),13(18),15,17-tetraene-10-carbamoyl)penta-methylsulfonediimine
+[C@H]([C@H](C(=O)O)O)(C(=O)O)O	SRT	s,r meso-tartaric acid
+CCCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)COC(=O)CCCCCCCC[C@@H](C)CCCCCCCC	SRV	(2s)-2-(heptadecanoyloxy)-3-{[(10s)-10-methyloctadecanoyl]oxy}propyl alpha-d-glucopyranosiduronic acid
+CC12C3([Ru]14567(C2(C4(C5(C63C)C)C)C)([n+]8ccccc8C(c9[n+]7cccc9)NC(=O)c1ccc(cc1)S(=O)(=O)N)Cl)C	SRX	chloro{n-[di(pyridin-2-yl-kappan)methyl]-4-sulfamoylbenzamide}[(1,2,3,4,5,6-eta)-(1r,2r,3r,4s,5s,6s)-1,2,3,4,5,6-hexamethylcyclohexane-1,2,3,4,5,6-hexayl]ruthenium(2+)
+[H]/N=C(/N)\N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N\[H])/N)O	SRY	streptomycin
+C(CO)COC[C@@H](C(=O)O)N	SRZ	propoxy-l-serine
+CN(C)CCCn1c2c(ccc3c2C[C@@H](CO3)CN(C)C)nc1N	SS0	(8r)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine
+C[C@@H](c1ccccc1)O	SS1	1-phenylethanol
+C[C@H](c1ccccc1)O	SS2	(1r)-1-phenylethanol
+Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccccc4)N	SS3	(2s)-1-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}-3-phenylpropan-2-amine
+Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccc(cc4)Br)N	SS4	3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.] pyrazole
+Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4cccc(c4)OCC5CCCCC5)N	SS5	(2s)-1-[3-(cyclohexylmethoxy)phenyl]-3-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine
+Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N	SS6	1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea
+Cc1cc(cc(c1OC[C@H](C)N2C(=O)c3ccccc3C2=O)C)OC(=O)C	SS7	4-{[(2s)-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate
+c1ccc(cc1)/C=C\c2coc3c2[nH]c(c3)C(=O)O	SS8	3-phenethyl-4h-furo[3,2-b]pyrrole-5-carboxylic acid
+C(CCNCCCN)CCS	SS9	5-[(3-aminopropyl)amino]pentane-1-thiol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N	SSA	5'-o-(n-(l-seryl)-sulfamoyl)adenosine
+CCCC[C@H]1CC[S@](=O)C1	SSB	3-butylthiolane 1-oxide
+C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O	SSC	(2s,5s)-5-carboxymethylproline
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O	SSD	1,4-dideoxy-1,4-[[2r,3r)-2,4-dihydroxy-3-(sulfoxy)butyl]episulfoniumylidene]-d-arabinitol inner salt
+C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@H](C(CO)OS([O-])([O-])[O-])O)CO)O)O	SSE	1,4-dideoxy-1,4-[[2s,3s)-2,4-dihydroxy-3-(sulfoxy)butyl]episelenoniumylidene]-d-arabinitol inner salt
+Cc1c(c2ccccn2c1C(=O)c3ccc(c(c3)C(=O)O)N)OC	SSF	2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)S)O	SSG	1,4-dithio-beta-d-glucopyranose
+C([C@@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O	SSH	3-deoxy-d-arabino-hexonic acid
+c1c(c2c([nH]1)C(=O)NC=N2)CN[C@@H](CCP(=O)(O)O)CO	SSI	[(3s)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid
+CC1(C=C(C(N1O)(C)C)C#CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)C	SSJ	2'-deoxy-5-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)
+c1ccc(cc1)[C@@H]([C@H](c2ccccc2)N)N	SSK	(1s,2s)-1,2-diphenylethane-1,2-diamine
+CC1(CC2(CC(N1O)(C)C)OCC(CO2)(CO[P@](=O)(O)OP(=O)(O)O)Nc3ccc(cc3[N+](=O)[O-])N=[N+]=[N-])C	SSL	(3-{[2-(dihydroxyamino)-4-(2lambda~5~-triaza-1,2-dienyl)phenyl]amino}-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undec-3-yl)methyl trihydrogen diphosphate
+CC(=O)N[C@@H](CC[S@@](=O)C)C(=O)NC	SSM	(2s)-2-(acetylamino)-n-methyl-4-[(s)-methylsulfinyl]butanamide
+C(CC(=O)O)C=O	SSN	4-oxobutanoic acid
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H](C(CO)OS([O-])([O-])[O-])O)CO)O)O	SSO	1,4-dideoxy-1,4-[[2s,3s)-2,4-dihydroxy-3-(sulfoxy)butyl]episulfoniumylidene]-d-arabinitol inner salt
+CCCSSCCC	SSP	dithiobis-(propane)
+c1ccc(c(c1)SC2=NN3C(=NNC3=O)C=C2)Cl	SSQ	6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one
+Cc1c(cccc1F)Cc2c(c3c(c(ccc3n2c4ccccc4)O)C)C(=O)N5CCNCC5	SSR	2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indol-5-ol
+c1nc(c(n1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O	SSS	n-{[5-amino-1-(5-o-phosphono-beta-d-arabinofuranosyl)-1h-imidazol-4-yl]carbonyl}-l-aspartic acid
+C([C@@H](C([C@H](CO)O)O)O)O	SST	l-arabinitol
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)O	SSU	uridine-5'-phosphorothioate
+C\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)C	SSV	(3e,5e,7e,9e,11e,13e)-pentadeca-3,5,7,9,11,13-hexaen-2-one
+c1cc(cc(c1)SC2=NN3C(=NNC3=O)C=C2)OC(F)(F)F	SSW	6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one
+CC(=O)c1cccc(c1)NC(=O)C(F)(F)F	SSY	~{n}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide
+CC(=O)Nc1c(cc(cc1O)C(=O)O)[N+](=O)[O-]	ST1	4-(acetylamino)-3-hydroxy-5-nitrobenzoic acid
+CC(=O)Nc1c(cc(cc1O)C(=O)O)N	ST2	4-(acetylamino)-5-amino-3-hydroxybenzoic acid
+CC(=O)Nc1ccc(cc1N)C(=O)O	ST3	4-(acetylamino)-3-amino benzoic acid
+CC(=O)Nc1ccc(cc1NC(N)N)C(=O)O	ST4	4-(acetylamino)-3-guanidinobenzoic acid
+CC(=O)Nc1ccc(cc1NC(=O)CO)C(=O)O	ST5	4-(acetylamino)-3-[(hydroxyacetyl)amino]benzoic acid
+CC(=O)Nc1ccc(cc1NC(=O)C[NH3+])C(=O)O	ST6	4-(acetylamino)-3-[(aminoacetyl)amino]benzoic acid
+[H]/N=C(/NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)Cn3c(cnn3)CO/N=C/c4ccnc5c4cccc5)\NC(=O)NC	ST7	n,n-dibenzyl-n~5~-[n-(methylcarbamoyl)carbamimidoyl]-n~2~-{[5-({[(e)-(quinolin-4-ylmethylidene)amino]oxy}methyl)-1h-1,2,3-triazol-1-yl]acetyl}-l-ornithinamide
+c1cc(ccc1C(=O)N)Nc2nc(c(c(n2)OCC3CCCCC3)N=O)N	ST8	4-{[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino}benzamide
+CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	ST9	stearoyl-coenzyme a
+CC(C)C[C@@H]([C@H](CC(=O)O)O)N	STA	statine
+c1cc(ccc1C(=O)NCCCCNCS)S(=O)(=O)N	STB	4-sulfonamide-[4-(thiomethylaminobutane)]benzamide
+c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl	STC	3-[(4-chloroanilino)sulfonyl]thiophene-2-carboxylic acid
+C[C@H]1[C@H]2C=C[C@@]3(CO3)[C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=C\C(=C/4\C(=O)[C@@H](N(C4=O)[C@@H]5CC[C@@H]([C@@H](O5)C)O)[C@H](C)C(=O)NC)\O)C	STD	streptolydigin
+CCCCCCCCCCCCCCCCCC(=O)O	STE	stearic acid
+c1cc(ccc1C[C@@H]2C(=O)N=C(S2)S)C(F)(F)F	STF	(5r)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4-one
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	STG	estriol 3-(b-d-glucuronide)
+c1ccc2c(c1)C(S[C@H](O2)N)O	STH	2-amino-4h-1,3-benzoxathiin-4-ol
+Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	STI	4-(4-methyl-piperazin-1-ylmethyl)-n-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
+c1cc(cc(c1)C(=O)N)c2cc(ncn2)Nc3ccc(cc3)OC(F)(F)F	STJ	3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide
+c1cc(cc(c1)Cl)SC2=NN3C(=NNC3=O)C=C2	STK	3-(3-chlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one
+c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O	STL	resveratrol
+Cc1c(c(c(nc1C(=O)OC)c2ccc3c(n2)C(=O)C(=C(C3=O)OC)N)N)c4cccc(c4O)OC	STM	methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylate
+CC(C)C[C@H](CN(C=O)O)C(=O)O	STN	2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoic acid
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	STO	staurosporine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@H]([C@@H](O3)CO[P@](=S)(O)O[P@](=O)(O)OP(=O)(O)O)O)N	STP	2'-deoxyadenosine 5'-o-(1-thiotriphosphate)
+c1ccc2c(c1)CCC[C@@H]2N	STQ	(1~{s})-1,2,3,4-tetrahydronaphthalen-1-amine
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	STR	progesterone
+c1ccc(cc1)C[C@H](CS)c2[nH]c3cc[nH+]cc3n2	STS	2-[(1s)-1-benzyl-2-sulfanylethyl]-1h-imidazo[4,5-c]pyridin-5-ium
+c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)Oc4ccccc4F)/C=C/5\C(=O)N(C(=S)S5)CCS(=O)(=O)O	STT	2-[(5~{e})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	STU	staurosporine
+CCS(=O)(=O)NCc1ccc2c(c1)OCO2	STV	~{n}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O	STW	stachyose
+CC(C)(C)c1nnc(o1)C(=O)CNC	STX	1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-(methylamino)ethanone
+c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O	STY	tyrosine-o-sulphonic acid
+CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)N=O	STZ	streptozotocin
+COc1ccc2c(c1)OC(=O)C=C2CC(=O)Nc3ccc(cc3)S(=O)(=O)N	SU0	2-(7-methoxy-2-oxo-2h-chromen-4-yl)-n-(4-sulfamoylphenyl)acetamide
+Cc1c[nH]c(c1CCC(=O)O)\C=C/2\c3ccccc3NC2=O	SU1	3-[(3-(2-carboxyethyl)-4-methylpyrrol-2-yl)methylene]-2-indolinone
+c1ccc2c(c1)C(C(=O)N2)Cc3ccc(cc3)N4CCN(CC4)C=O	SU2	3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone
+CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C	SU3	(5r,7s,10s)-10-tert-butyl-n-{(1r,2r)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1h,5h-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3h)-carboxamide
+C[C@](CN(C1CC1)S(=O)(=O)c2ccc(cc2)O)(c3ccccc3)O	SU4	n-cyclopropyl-4-oxidanyl-n-[(2r)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide
+c1ccc2c(c1)cc([nH]2)C(=O)c3cccnc3	SU5	1~{h}-indol-2-yl(pyridin-3-yl)methanone
+Cc1c(c([nH]c1/C=C\2/c3ccccc3NC2=O)C)CCC(=O)O	SU6	3-{2,4-dimethyl-5-[(z)-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-1h-pyrrol-3-yl}propanoic acid
+c1ccc(cc1)CC2CCN(CC2)C(=O)CC#N	SU7	3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile
+CCCC[C@H](CC(=O)O)C(=O)O	SU8	(2r)-2-butylbutanedioic acid
+COc1ccc2c(c1)/C(=C/c3cnc[nH]3)/C(=O)N2	SU9	(3z)-3-(1h-imidazol-5-ylmethylene)-5-methoxy-1h-indol-2(3h)-one
+c1cc(ccc1NC(=S)OCCc2ccsc2)S(=O)(=O)N	SUA	(4-sulfamoyl-phenyl)-thiocarbamic acid o-(2-thiophen-3-yl-ethyl) ester
+CCOC(=O)C(Cc1ccccc1)NC(=O)[C@@H]2CSCC[N@]2S(=O)(=O)c3ccc(cc3)C	SUB	3-phenyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-propionic acid ethyl ester
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O	SUC	sucrose
+C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O	SUD	4-diphosphocytidyl-2-c-methyl-d-erythritol 2-phosphate
+CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1	SUE	(1ar,5s,8s,10r,22ar)-5-tert-butyl-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8h-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide
+CS(C)CC(O)(P(=O)(O)O)P(=O)(O)O	SUF	[2-(dimethyl-lambda~4~-sulfanyl)-1-hydroxyethane-1,1-diyl]bis(phosphonic acid)
+C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N	SUG	n~2~-(3-carboxypropanoyl)-l-arginine
+C[C@@H](CC(=O)O)C(=O)O	SUH	(2s)-2-methylbutanedioic acid
+C1[C@@H](C(=O)N(C1=O)CC(=O)O)N	SUI	(3-amino-2,5-dioxo-1-pyrrolidinyl)acetic acid
+C[C@H]([C@@H](C(=O)O)N1[C@@H](CC[C@@H](C1=O)N)O)O	SUJ	(2r,3r)-2-[(3s,6r)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid
+[O-]S(=O)(=O)[O-]	SUL	sulfate anion
+CCO[P@](=O)(N(C)C)OC[C@@H](C(=O)O)N	SUN	o-[(r)-(dimethylamino)(ethoxy)phosphoryl]-l-serine
+C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN	SUO	n~2~-(3-carboxypropanoyl)-l-ornithine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO)O)O)O)O	SUP	sucrose-6-phoshpate
+c1cc(ccc1SC2=NN3C(=NNC3=O)C=C2)Cl	SUQ	6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one
+C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	SUR	1-(beta-d-ribofuranosyl)-2-thio-uracil-5'-phosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O	SUS	2-deoxy-3,6-di-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose
+Cc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2	SUT	6-(m-tolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one
+Cc1ccc(c(c1)C(=O)N2CCN(CC[C@H]2C)c3nc4cc(ccc4o3)Cl)n5nccn5	SUV	[(7r)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2h-1,2,3-triazol-2-yl)phenyl]methanone
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc3ccccc3c2)O)O)(C(=O)O)OC)O	SUW	me-a-9-n-(naphthyl-2-carbonyl)-amino-9-deoxy-neu5ac
+CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Sc5cncnc5)Cl	SUY	(1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@](=O)C)F)CC(=O)O	SUZ	[(1z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1h-inden-3-yl]acetic acid
+c1ccc(cc1)CCOC(=O)Cc2ccc(cc2C=O)N	SV1	2-phenylethyl 2-(4-azanyl-2-methanoyl-phenyl)ethanoate
+c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N	SV2	[{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid) 
+Cc1cccnc1N2CCCNCC2	SV4	1-(3-methylpyridin-2-yl)-1,4-diazepane
+c1ccc(cc1)Cn2ccc3c2C=CNC3=O	SV5	1-(phenylmethyl)-5~{h}-pyrrolo[3,2-c]pyridin-4-one
+CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5	SV6	(1s,3ar,6as)-2-[(2s)-2-({(2s)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-n-[(2r,3s)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide
+c1ccc(cc1)P(=O)(O)O	SV7	phenylphosphonic acid
+c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4c[nH]c5c4CNC5=O	SV8	3-[3-(phenylmethyl)-1~{h}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{h}-pyrrolo[3,4-b]pyrrol-6-one
+C([C@@H](C(=O)O)N)O[V](O)([O-])([O-])[O-]	SVA	serine vanadate
+CN1CCN(CC1)NC(=O)CN2C(=O)/C(=C/c3c(ccc(c3Cl)Cl)Cl)/SC2=S	SVB	n-(4-methylpiperazin-1-yl)-2-[(5z)-4-oxo-2-thioxo-5-(2,3,6-trichlorobenzylidene)-1,3-thiazolidin-3-yl]acetamide
+CC(C)(C)[C@H]1CC(=O)N(N1O)C	SVD	(5~{r})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one
+CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC(F)(F)F)C(=O)NC6CCN(CC6)C)CC3)CC	SVE	n-(2,6-diethylphenyl)-1-methyl-8-({4-[(1-methylpiperidin-4-yl)carbamoyl]-2-(trifluoromethoxy)phenyl}amino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+CC(=O)N1CCC(CC1)Cc2ccc(cc2)F	SVF	1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone
+C/C(=N\Cc1cccnc1)/c2ccc(cc2)Cl	SVG	(~{e})-1-(4-chlorophenyl)-~{n}-(pyridin-3-ylmethyl)ethanimine
+c1c(cc2c(c1c3c[nH]c4c3CNC4=O)cn[nH]2)F	SVH	3-(6-fluoranyl-1~{h}-indazol-4-yl)-4,5-dihydro-1~{h}-pyrrolo[3,4-b]pyrrol-6-one
+CN1[C@@H]2CC[C@H]1CC(C2)N	SVJ	(1~{s},5~{r})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
+c1ccc(cc1)Cc2c[nH]c3c2cccn3	SVK	3-(phenylmethyl)-1~{h}-pyrrolo[2,3-b]pyridine
+c1ccnc(c1)CCNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3	SVM	1-[(1~{r},2~{r},4~{s})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea
+c1cnc2c(n1)c(cs2)N	SVN	thieno[2,3-b]pyrazin-7-amine
+CC(C)(C)[P](CCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)(C(C)(C)C)[Pd]3(CC=C3c4ccccc4)Cl	SVP	chloro{di-tert-butyl[2-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-lambda~5~-phosphanyl}(1-phenylprop-1-ene-1,3-diyl-kappa~2~c~1~,c~3~)palladium
+c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2CCc3ccc(cc3)Cl)C(=O)O)Cl	SVQ	1-(4-chlorophenethyl)-2-(2-chlorophenyl)-6-oxopiperidine-3-carboxylic acid
+Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	SVR	8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-1,3,5-naphthalenetrisulfon ic acid
+c1ccc(c(c1)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	SVS	5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine
+COc1ccc2c(c1)cn[nH]2	SVT	5-methoxy-1~{h}-indazole
+C([C@@H](C(=O)O)N)O[P@](=O)(N)O	SVV	o-[(s)-amino(hydroxy)phosphoryl]-l-serine
+C([C@@H](C(=O)O)N)O[P@@](=O)(N)O	SVW	o-[(r)-amino(hydroxy)phosphoryl]-l-serine
+CCO[P@](=O)(C)OC[C@@H](C(=O)O)N	SVX	o-[(r)-ethoxy(methyl)phosphoryl]-l-serine
+CC(C)OP(=O)(OC[C@@H](C(=O)O)N)OC(C)C	SVY	o-[bis(1-methylethoxy)phosphoryl]-l-serine
+CC(C)N[P@@](=O)(O)OC[C@@H](C(=O)O)N	SVZ	o-[(s)-hydroxy(isopropylamino)phosphoryl]-l-serine
+c1cc(sc1)c2nc(cs2)CN	SW1	1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine
+c1ccn(c1)c2cccc(c2)CN	SW2	1-[3-(1h-pyrrol-1-yl)phenyl]methanamine
+Cc1cc(nn1C)CN	SW3	1-(1,5-dimethyl-1h-pyrazol-3-yl)methanamine
+c1c(cncc1OC[C@@H]2CCN2)[C@H]3C[C@@H]3CCO	SW4	2-[(1r,2s)-2-[5-[[(2s)-azetidin-2-yl]methoxy]pyridin-3-yl]cyclopropyl]ethanol
+c1cc(ccc1Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F	SW5	3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+Cc1ccc(cc1)C(=O)N	SW7	4-methylbenzamide
+c1cc(cc(c1)F)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5	SW8	3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+C1C[C@H]([C@@H]2[C@@H]([C@@H](C[N@]2C1)O)O)O	SWA	1s-8ab-octahydro-indolizidine-1a,2a,8b-triol
+Cc1c[nH]c2c1cc(cn2)c3c[nH]c4c3CNC4=O	SWB	3-(3-methyl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)-1~{h}-pyrrolo[3,4-b]pyrrol-6-one
+c1csc2c1ncnc2Cl	SWD	4-chloranylthieno[3,2-d]pyrimidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O	SWE	alpha-d-fructofuranosyl alpha-d-glucopyranoside
+CC(=O)C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O	SWF	s-warfarin
+c1ccc2c(c1)c(c[nH]2)\\C=C/3\\C(=O)N(C(=N3)[C@H](CO)N)CC(=O)O	SWG	2-[(4z)-2-[(1r)-1-amino-2-hydroxy-ethyl]-4-(1h-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid
+[B-](c1ccc(cc1)COc2ccc(cc2)\C=C/3\C(=O)N(C(=O)S3)Cc4ccc(cc4)F)(O)(O)O	SWH	{4-[(4-{(z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-)
+C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](C\C=C(\C=C\C(=O)O[C@@H]([C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]4CC=C[C@H](O4)C[C@@H](CC=C(\C=C\C(=O)O2)C)O)OC)C)O)O)C)[C@@H](C)[C@H]([C@H](C)CC[C@H]5C[C@@H](C[C@@H](O5)C)OC)O)/C)O)OC)C)O)O)C)O)OC	SWI	swinholide a
+CC(=O)[C@H](CC#C)NC(=O)CN	SWJ	2-azanyl-~{n}-[(3~{s})-2-oxidanylidenehex-5-yn-3-yl]ethanamide
+c1ccc(c(c1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F	SWK	3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5	SWN	3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)N4CCC(=CC4=O)c5c(ccc(c5F)Cl)F	SWP	methyl ((10r,14s)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate
+CSc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2	SWQ	6-(3-methylsulfanylphenyl)sulfanyl-2~{h}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
+CC(C)(C1CCC(CC1)NC(=O)c2cc3cnc(cc3nc2)N4CCC4)O	SWS	7-(azetidin-1-yl)-~{n}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide
+Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2	SWT	6-(4-methylphenyl)sulfanyl-2~{h}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
+c1ccc(c(c1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cnccn3)F	SWV	~{n}-[3-[(2-fluorophenyl)sulfamoyl]phenyl]pyrazine-2-carboxamide
+C(CSC[C@H](C(=O)O)N)O	SWW	(2~{s})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid
+c1cc(ccc1CO)c2cncnc2	SWX	(4-pyrimidin-5-ylphenyl)methanol
+COc1ccc(cc1)n2c(nnc2SCCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccncc6	SWY	2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
+O=S	SX	sulfur oxide
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)Br	SX0	(2s)-2-amino-4-({[(2s,3s,4r,5r)-5-(4-amino-5-bromo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)
+c1cc(c(cc1Br)C(=O)O)N	SX1	2-amino-5-bromobenzoic acid
+c1cc(ncc1Br)NC(=O)CCC(=O)O	SX2	4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid
+C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2N)Br)C	SX3	4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline
+c1ccc(c(c1)C[C@H]2CCCN2C(=O)c3cc(ccc3N)Br)Cl	SX4	4-bromo-2-{[(2r)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline
+C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)O)Br)C	SX5	4-[(4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid
+C[C@H]1C[C@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)N3CCOCC3)Br)C	SX6	n-(4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide
+CCn1c(ccn1)c2c[nH]c3c2cc(cn3)c4ccc(c(c4)C(=O)N(C)C)N	SX7	2-amino-5-[3-(1-ethyl-1h-pyrazol-5-yl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylbenzamide
+Cn1cc(cn1)c2ccc3nnc(n3n2)Sc4ccc5c(c4)cccn5	SX8	6-{[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline
+CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXA	thioacetic acid s-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester
+CCO[P@](=O)(CCCc1cc2c3c(c1)C[S@+]([Pd]3([S@@+](C2)C)Br)C)Oc4ccc(cc4)[N+](=O)[O-]	SXC	bromo(4-{3-[(r)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappas)methyl]phenyl-kappac~1~)palladium(2+)
+CC(=O)CC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXD	n-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+CCO[P@@](=O)(NC(C)C)OC[C@@H](C(=O)O)N	SXE	o-{(s)-ethoxy[(1-methylethyl)amino]phosphoryl}-l-serine
+c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F	SXG	2,3,4,5,6-pentafluoro-n-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide
+CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXH	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
+c1cc(c(c(c1)Cl)c2[nH]nnn2)O[C@H]3CC[C@H]4CN[C@@H](C[C@H]4C3)C(=O)O	SXI	(3s,4as,6s,8ar)-6-[3-chloro-2-(1h-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid
+C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(CC(=C(C5(C)C)O)C#N)C)C)(C)C)C(=O)O	SXJ	(13alpha,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oic acid
+c1cc(ccc1c2ccc(cc2F)F)OCC(=O)O	SXK	[(2',4'-difluorobiphenyl-4-yl)oxy]acetic acid
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O	SXM	3-{[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid
+CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H](C(C)(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)COC(=O)CCCCCCCCCCCC(C)C)O)O)O)O)/C)/C	SXN	salinixanthin
+CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXO	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate
+c1cc(c(cc1SC2=NN3C(=NNC3=O)C=C2)Cl)Cl	SXQ	3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one
+CC(C)(COP(O)O)[C@@H](C(=O)NCCC(=O)NCCSCCC(=O)CCc1ccccc1)O	SXR	n~3~-{(2s)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide
+c1cc2c(cc1N)S(=O)(=O)NC2=O	SXS	6-amino-1,2-benzothiazol-3(2h)-one 1,1-dioxide
+CC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXV	n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide
+COc1cc(cc(c1O)OC)\C=C\C(=O)O	SXX	sinapinate
+CC(C)CC(=O)N[C@@H](CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C(=O)O	SXZ	(2s)-4-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid
+c1ccc(c(c1)CN2C(=O)c3ccccc3N=C2N4CCC[C@H](C4)N)C#N	SY1	2-({2-[(3r)-3-aminopiperidin-1-yl]-4-oxoquinazolin-3(4h)-yl}methyl)benzonitrile
+CC(C)[C@H]1C=CC(=O)NCCCC[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O	SY2	n-{[(1s)-2-methyl-1-{[(5s,8s)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-l-valine
+CCCS(=O)(=O)Nc1cc(c(cc1F)F)N	SY4	~{n}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide
+CN(CC(=O)O)NC(=O)C[C@@H](C[C@H](CNCCCN)O)N	SY5	2-[[[(3~{r},5~{r})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid
+COc1cc(ccn1)CN2[C@H]([C@@H](NC2c3ccnc(c3)OC)c4ccnc(c4)OC)c5ccnc(c5)OC	SY7	2-methoxy-4-[[(4~{s},5~{s})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine
+CC(=O)CCCN	SY8	5-azanylpentan-2-one
+c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5	SY9	strychnine
+COc1c(c(cc(c1F)F)C(=O)O)F	SYA	2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid
+c1ccnc(c1)CP(=O)(O)O	SYC	(pyridin-2-ylmethyl)phosphonic acid
+c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O	SYD	[(5-phenylpyridin-2-yl)methyl]phosphonic acid
+c1ccc2c(c1)ccc(n2)CP(=O)(O)O	SYE	(quinolin-2-ylmethyl)phosphonic acid
+CC[C@@H](c1ccccc1O)N	SYG	2-[(1~{s})-1-azanylpropyl]phenol
+C=C1CCN(CC1)C(=O)Cn2c3ccccc3nn2	SYH	2-(1h-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one
+c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2	SYJ	2-fluoranyl-~{n}-(furan-2-ylmethyl)benzenesulfonamide
+C[C@H](C[C@@H](C(=O)[O-])N)C(=O)O	SYM	2s,4r-4-methylglutamate
+C=Cc1ccccc1	SYN	ethenylbenzene
+CCCCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SYO	[(3s)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxooctylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate
+CCC(=O)NCCNc1cc(ncn1)NCCS	SYP	n-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide
+Cc1cccc(n1)C(=O)N[C@@H](C)C2CC2	SYQ	(s)-n-(1-cyclopropylethyl)-6-methylpicolinamide
+COc1cc(cc(c1O)OC)C(=O)OC	SYR	syringate
+C([C@@H](C(=O)O)N)[Se]CC(=O)N	SYS	3-[(2-amino-2-oxoethyl)selanyl]-l-alanine
+C[N@@+]12CCc3cc4c(cc3[C@@H]1Cc5ccc6c(c5C2)OCO6)OCO4	SYT	(5s,12bs)-5-methyl-6,7,12b,13-tetrahydro-2h,4h,10h-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium
+CN1c2ccc(cc2OC1=O)N	SYV	6-azanyl-3-methyl-1,3-benzoxazol-2-one
+C[C@@H]1CN(CCN1S(=O)(=O)c2ccc3c(c2)OC(=O)N3)C(=O)c4ccc5c(c4)ccn5C	SYW	(r)-6-((2-methyl-4-(1-methyl-1h-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3h)-one
+COC(=O)c1c(ccs1)NC(=O)Cc2cccs2	SYY	methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate
+Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O	SYZ	n-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide
+c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)O)S(=O)(=O)c3ccncc3)O)N	SZ0	(2s,4r)-1-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxylic acid
+C1CCCC(CC1)N	SZ1	cycloheptanamine
+c1cnccc1c2nc(on2)C3CCCCC3	SZ2	5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole
+C1CC(CCC1N)O	SZ3	trans-4-aminocyclohexanol
+COc1cccc(c1)CN	SZ4	1-(3-methoxyphenyl)methanamine
+Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	SZ5	2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
+Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)F)C(=O)c4ccc(cc4O)O)Cl	SZ6	n-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-n-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide
+c1cc(sc1)/C=N/NC(=O)C2CC2	SZ7	~{n}-[(~{e})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide
+CN1C[C@@H](C[C@H]1C(=O)OC)N	SZ8	methyl (4r)-4-amino-1-methyl-l-prolinate
+Cc1cc(c(o1)C)CN	SZ9	1-(2,5-dimethylfuran-3-yl)methanamine
+c1cc(sc1)CCNC(=O)c2ccncc2	SZA	~{n}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
+C1=CC(=O)NC1=O	SZB	succinimide
+c1cc2c(c(c1)S(=O)(=O)NC3CCCC3)[nH]c(n2)c4ccc(cc4)C(F)(F)F	SZC	n-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-benzimidazole-4-sulfonamide
+c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)(F)F)NC(=O)c3cc(cc(c3)F)F	SZD	3,5-bis(fluoranyl)-~{n}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide
+CN1CC[N@](CC1=O)c2c(cccn2)F	SZE	4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one
+c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)F	SZG	~{n}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide
+C[C@@H](CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)COC(=O)C(C(F)(F)F)NN	SZH	(2s,6e)-8-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2s)-3,3,3-trifluoro-2-hydrazinopropanoate
+c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)F)NC(=O)c3cc(cc(c3)F)F	SZJ	~{n}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide
+CCn1c2ccccc2nc1NCc3ccco3	SZK	(1-ethyl-1h-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee
+COc1c2c([nH]cn2)ncn1	SZL	6-methoxy-9h-purine
+Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O	SZN	n-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide
+c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)(F)F	SZP	n-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide
+COc1cc(ccc1O)/C=C/C(=O)OC	SZQ	trans-methylferulate
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)O	SZS	methyl 3-o-[3-(benzyloxy)-3-oxopropanoyl]-beta-d-galactopyranoside
+c1ccc(c(c1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O	SZV	4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid
+CN(c1c2c3ccc(cc3[nH]c2ncn1)Cl)[C@H]4CCCN(C4)CCC#N	SZW	3-[(3~{s})-3-[(7-chloranyl-9~{h}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile
+Cc1ccncc1NC(=O)C	SZY	n-(4-methylpyridin-3-yl)acetamide
+C=CC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	SZZ	sinigrin
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T	thymidine-5'-monophosphate
+c1ccc(cc1)C[C@@H]([C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)O)N	T00	n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-phenylalanine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F	T01	n-(4-fluorobenzoyl)-l-gamma-glutamyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
+Cc1cc(c2c(nn(c2n1)c3ccc(cc3)Cl)C(C)C)C(=O)O	T02	1-(4-chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+c1cc(ccc1CSc2[nH]cnn2)F	T03	3-[(4-fluorobenzyl)sulfanyl]-4h-1,2,4-triazole
+c1cc(ccc1\C=C/2\C(=O)NC(=S)S2)NCc3ccc(c(c3)C(=O)NC(CCC(=O)O)C(=O)O)F	T04	2-[[2-fluoro-5-[[[4-[(z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid
+Cc1cccc(c1)Oc2cc(ccc2C(=O)O)S(=O)(=O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C	T05	4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]sulfonyl}-2-(3-methylphenoxy)benzoic acid
+CCc1cc(c2c(nn(c2n1)c3ccc(cc3)F)C(CC)CC)C(=O)O	T06	6-ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+c1cc(c(cc1Cl)Cl)CSc2[nH]c(nn2)N	T07	5-[(2,4-dichlorobenzyl)sulfanyl]-4h-1,2,4-triazol-3-amine
+Cc1cc(ccc1OC[C@H](CO)O)C(C)(C)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O	T08	(2s)-3-{4-[2-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propan-2-yl]-2-methylphenoxy}propane-1,2-diol
+C1CC2=C(NC1)N=C(NC2=O)N	T0A	5-deazatetrahydropterin
+COc1cc2c(cc1OC)nc(nc2N)N3CCN([C@@H]4[C@H]3CCCC4)C(=O)c5ccco5	T0B	[(4~{a}~{r},8~{a}~{s})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](OC(=O)C)S(=O)(=O)O)NC(=O)OCC(C)(C)c2cccc(c2)Cl	T0D	(2~{s})-~{n}-[(1~{r})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{r})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide
+c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)C(=O)NCc5ccn[nH]5)F	T0E	5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(1h-pyrazol-5-yl)methyl]benzamide
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CCC2=C=CCCCC(C)(C)O	T0H	(1r,3s,z)-5-(2-((3as,7as,e)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4h-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
+c1cn(cn1)c2cc(c(cc2O)O)C[C@@H](C(=O)O)N	T0I	(2s)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid
+c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N	T0J	n~1~-phenylpiperidine-1,4-dicarboxamide
+CC[Hg]Sc1ccccc1C(=O)O	T0M	thiomersal
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(NC3N(CCN3C)C)O)O	T0N	~{n}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidous acid
+c1ccc(cc1)C(=O)CN2C=[N](C3=C2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F	T0P	[(2~{r},3~{r},4~{s},5~{r})-5-(2-azanyl-6-oxidanylidene-7-phenacyl-1~{h}-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(NC3N(CCN3C)C)O)O	T0Q	~{n}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidous acid
+CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3	T0R	 toremifene
+CC(=O)NCc1ccc(cc1)S(=O)(=O)N	T0S	n-[(4-sulfamoylphenyl)methyl]acetamide
+c1ccc(c(c1)/C=C/c2ccc(cc2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	T0T	(1r)-1-{4-[(e)-2-(2-aminophenyl)ethenyl]phenyl}-1,4-anhydro-2-deoxy-5-o-phosphonato-d-erythro-pentitol
+c1cc(cc(c1)F)CNCc2ccco2	T0V	1-(3-fluorophenyl)-n-[(furan-2-yl)methyl]methanamine
+CCN(Cc1ccoc1)C(=O)Cn2c3ccccc3nn2	T0W	2-(benzotriazol-1-yl)-~{n}-ethyl-~{n}-(furan-3-ylmethyl)ethanamide
+c1cscc1CN2CCC(CC2)O	T0Y	1-[(thiophen-3-yl)methyl]piperidin-4-ol
+c1ccc(cc1)C[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	T10	[1-(1-benzyl-3-hydroxy-2-oxo-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
+c1cc(ccc1C[C@@H](C(=O)O)N)C2(NN2)C(F)(F)F	T11	4-[3-(trifluoromethyl)diaziridin-3-yl]-l-phenylalanine
+CC(C)(C)C(=O)Oc1ccc2c(c1)nc(n2CCCO)NC(=O)c3cccc(c3)[N+](=O)[O-]	T12	1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]-1h-benzimidazol-5-yl pivalate
+COc1ccc(cc1F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F	T13	2,3,4,5,6-pentafluoro-n-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
+c1ccc(c(c1)c2cc(c3c(c2)nc([nH]3)C4=NOC5(C4)CCCCC5)C(F)(F)F)C(F)(F)F	T14	3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1h-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene
+Cc1c(n(cn1)CC(=O)NC(C)(C)C)CNC(=O)CN2C(=CC=C(C2=O)NS(=O)(=O)Cc3ccccc3)C	T15	2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2h)-yl}-n-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1h-imidazol-5-yl}methyl)acetamide
+B([C@H](CCC(Br)Br)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccccc2)NC(=O)CCCC=O)(O)O	T16	borolog2
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCn4cc(nn4)CCCC(=O)NCC(=O)O)C	T17	{[4-(1-{3-[(3as,4r,7r,9r,10r,11r,13r,15r,15ar)-10-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4h)-yl]propyl}-1h-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid
+CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(N2)C3=C(c4cc(ccc4N(C3=O)Cc5ccc(cc5)F)F)O	T18	n-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4h-1,4-benzothiazin-7-yl}methanesulfonamide
+B([C@H](C(C)C)NC(=O)c1cccn1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)(O)O	T19	phenylmethylenecarboxy-(methyleneamino-formyl-diphenylmethyl)methy-pro-boroval
+CC[As+](CC)(CC)CC	T1A	tetraethylarsonium ion
+CCc1ccc2c(c1)nc([nH]2)c3cnnn3C	T1B	5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazole
+CC(C)(C)NCC(=O)Nc1cc(c2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)[NH+](C)C)O)O)[NH+](C)C	T1C	tigecycline
+COc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccccc3	T1D	5-(4-methoxybiphenyl-3-yl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide
+CN/C(=N/C)/NC1CCN(CC1)c2cc(cc(c2)OC)OC	T1E	1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine
+C[C@@H]([C@H](C)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O	T1G	(2s,3s)-3-hydroxy-2-methylbutanoyl-coa
+CN/C(=N\C)/NC1CCN(CC1)CC(=O)NCc2ccc3c(c2)nc([nH]3)c4cnnn4C	T1H	2-[4-[[(~{e})-~{n},~{n}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{n}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazol-5-yl]methyl]ethanamide
+c1ccc(c(c1)CNc2[nH]c3ccccc3n2)O	T1J	2-{[(1h-benzimidazol-2-yl)amino]methyl}phenol
+CCN(C)c1cc(nc2n1ccn2)c3ccccc3O	T1K	2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol
+C[C@@H]1[C@H](CCCN1Cc2ccccc2)O	T1M	(2r,3r)-1-benzyl-2-methylpiperidin-3-ol
+C[C@@H](c1ccc2cc(ccc2c1)SC)C(=O)O	T1N	(2s)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid
+CC(=O)CNC(=O)CCCC[C@@H]1[C@@H]2[C@H](CS1)NC(=O)N2	T1O	5-[(3as,4r,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-n-(2-oxopropyl)pentanamide
+C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)COP(=O)(O)O	T1P	3-{2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate
+CCCS(=O)(=O)Nc1ccc(c(c1F)C2=Cc3cnc(nc3N(C2=O)C)NCCCO)F	T1Q	n-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@@H]3C[C@@H]2O4)O)S(=O)(=O)c5ccc(cc5)OC	T1R	(1r,3as,5r,6s,7ar)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1cc(cc(c1)Cl)CN2CCOCC2	T1S	4-[(3-chlorophenyl)methyl]morpholine
+c1cc2c(c3c1[nH]nc3)c4c(c(n2)c5cn[nH]c5C(F)(F)F)CS(=O)CC4	T1T	7-(3-(trifluoromethyl)-1h-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide
+CC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2	T1V	1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+C[C@H]1CCCCN1C(=O)N2CCOCC2	T1W	[(2~{s})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone
+CC(=O)N1CCN(CC1)S(=O)(=O)c2cccc(c2)F	T1Y	1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1cc(c(cc1n2cc(nn2)CO)Cl)Cl	T1Z	[1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol
+c1ccc(cc1)n2c3ccc(cc3nc2NC(=O)c4cccc(c4)N(=O)=O)CN5CCCCC5	T20	3-nitro-n-[1-phenyl-5-(piperidin-1-ylmethyl)-1h-benzimidazol-2-yl]benzamide
+c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O	T21	2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5h)-one
+CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N	T22	2-({6-[(3r)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}methyl)benzonitrile
+C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O	T23	2'-o-methyl-3'-methyl-3'-deoxy-arabinofuranosyl-thymine-5'-phosphate
+CC\C=C/C[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O	T24	(9z,11e,13s,15z)-13-hydroxyoctadeca-9,11,15-trienoic acid
+CCCCC[C@H]1[C@H](O1)C\C=C/CCCCCCCC(=O)O	T25	(9z)-11-[(2r,3s)-3-pentyloxiran-2-yl]undec-9-enoic acid
+c1cc(cc(c1)NCc2ccc(cc2)\C=C/3\C(=O)NC(=S)S3)C(=O)N[C@H](CCC(=O)O)C(=O)O	T26	(2r)-2-[[3-[[4-[(z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]methylamino]phenyl]carbonylamino]pentanedioic acid
+Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N	T27	4-{[4-({4-[(e)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
+c1cc2c(cc1Br)c-3c([nH]2)CCCc4c3nc(nc4)N	T28	11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine
+B([C@H](CCCSC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)CC)(O)O	T29	tri166 (bifunctional boronate inhibitor)
+Cc1c2cnc(nn2c(n1)c3ccccc3)Nc4cc(c(c(c4)OC)OC)OC	T2A	5-methyl-7-phenyl-n-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
+c1cc(ccc1O)Oc2c(cc(cc2I)C[C@@H](CO)N)I	T2B	4-{4-[(2s)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol
+C1CS[C@H](N1)C(=O)O	T2C	(2s)-1,3-thiazolidine-2-carboxylic acid
+c1ccc(cc1)N2CC(=O)NS2(=O)=O	T2D	1,2,5-thiadiazolidin-3-one-1,1-dioxide
+c1cc(cnc1)CNc2ccc(cc2C(=O)O)N	T2E	5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid
+Cc1cccc(c1)CN2CCN(CC2)C(=O)C	T2G	1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
+CCOc1cccc(c1)c2nnc(s2)N	T2H	5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
+CC(=O)N1CCN(CC1)c2ccccc2[N+](=O)[O-]	T2J	1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one
+c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)Cl)Cl	T2K	3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid
+CC(C)(C)OC(=O)NN(C)C#N	T2M	tert-butyl 2-cyano-2-methylhydrazinecarboxylate
+O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1	T2N	3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane
+C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O	T2P	3-{2,6,8-trioxo-9-[(2s,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate
+CS(=O)(=O)C1CCN(CC1)c2cccc(c2)CN3C=C(C=CC3=O)c4nc(no4)c5ccc(cc5)OC(F)(F)F	T2Q	1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3C[C@H]2O4)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C	T2R	(1s,3ar,5s,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2s,3r)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=S)(O)S)O	T2S	thymidine-5'-dithiophosphorate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)C[C@H](C)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=C(C(=O)NC4=O)C)OC)O	T2T	[(2s,3s,5r)-3-[(2s)-3-({[(2r,3s,4r,5r)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}amino)-2-methyl-3-oxopropyl]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
+CC(=O)N1CCC[C@H](C1)c2nc3ccccc3s2	T2V	1-[(3r)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one
+C[C@@H](/C=C\C(=O)NC1CCC(CC1)C/C=C(\C)/C=C/[C@@H]2C[C@@](CC(O2)(C)C)(C)O)OC(=O)NC	T2W	[(~{z},2~{s})-5-[[4-[(2~{e},4~{e})-3-methyl-5-[(2~{s},4~{r})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{n}-methylcarbamate
+CC(=O)NCc1ccc2c(c1)OCO2	T2Y	n-[(2h-1,3-benzodioxol-5-yl)methyl]acetamide
+CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O)O	T2Z	[(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{r})-6-methyl-6-oxidanyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate
+c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O	T3	3,5,3'triiodothyronine
+CC(C)n1c(nnc1C2(CC2)c3ccc(cc3)F)c4ccc(cc4)OC(F)(F)F	T30	3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4h-1,2,4-triazole
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)O)O	T31	thymidine 5'-monothiophosphate
+C[C@@H]1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C	T32	6'-alpha-methyl carbocyclic thymidine 5'-monophosphate
+c1cc(c(cc1C[C@@H](C(=O)O)N)I)Oc2ccc(c(c2)I)O	T33	3,3'-deiodo-thyroxine
+Cc1ccc(cc1NCc2ccccc2)C(=O)NO	T34	4-methyl-~{n}-oxidanyl-3-[(phenylmethyl)amino]benzamide
+CC[C@@H](c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC	T35	2-[4-[5-[(1~{s})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid
+CC1=CN(C(=O)N=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T36	split linkage thymidine 5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N	T37	3'-amino-2'deoxythymidine 5'-monophosphate
+CCOCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O	T38	2'-o-ethoxymethylene thymidine 5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC	T39	2'-o-methoxyethylene thymidine 5'-monophosphate
+C(CNC(CO)(CO)CO)CS(=O)(=O)O	T3A	n-(tris(hydroxymethyl)methyl)-3-aminopropanesulfonic acid
+CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)Nc4ccccc4	T3B	2-(2-methylpropanoylamino)-~{n}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCNCC4)C#N	T3C	2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C/C=C/CC(=O)O)O	T3D	(~{e})-6-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)S(=O)(=O)N)C#N	T3E	3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O	T3F	(3r,4s,5r,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
+CC(=O)N1CCN(CC1)S(=O)(=O)c2c(cccc2F)F	T3G	1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+CN/C(=N\C)/Nc1ccc(cc1)N2CCC[C@H]2C(=O)NCc3ccc4c(c3)nc([nH]4)c5cnnn5C	T3H	(2~{s})-1-[4-[[(~{e})-~{n},~{n}'-dimethylcarbamimidoyl]amino]phenyl]-~{n}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide
+CC(=O)N1CCO[C@H](C1)c2ccc(cc2)F	T3J	1-[(2r)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one
+C/C(=N\OCCC(=O)N1CCOCC1)/c2ccc(c(c2)OC3CCCC3)OC	T3K	3-[(~{e})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one
+COc1cc(cc(c1OC)OC)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N	T3M	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid
+CC(=O)Nc1ccc(cc1)OCC(=O)O	T3N	2-(4-acetamidophenoxy)ethanoic acid
+CC1=CC[C@H]2C[C@@H]1[C@@H](OC2(C)C)c3ccc(cc3)O	T3O	4-[(1s,2r,5s)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O	T3P	thymidine-3'-phosphate
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O	T3Q	[(3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3CCCCC3)O	T3S	5'-deoxy-5'-piperidin-1-ylthymidine
+c1ccnc(c1)CNCc2ccc3c(c2)OCO3	T3T	1-(1,3-benzodioxol-5-yl)-~{n}-(pyridin-2-ylmethyl)methanamine
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2F	T3V	1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1cc(ccc1c2cn3c(n2)CC=NC3=O)I	T3W	2-(4-iodophenyl)-8~{h}-imidazo[1,2-c]pyrimidin-5-one
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	T3Y	25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid
+Cc1cccc(n1)C(=O)N[C@H](C)C2CC2	T3Z	(r)-n-(1-cyclopropylethyl)-6-methylpicolinamide
+Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCNCC4	T40	5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2h)-one
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	T41	1-(2-o-methyl-beta-d-arabinofuranosyl)thymidine 5'-monophosphate
+B([C@H](CCCOC)NC(=O)c1cccn1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N[C@@H](N4CCOCC4)O)(O)O	T42	morpholino-diphenylalanine-methoxypropylboronic acid
+c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N	T44	3,5,3',5'-tetraiodo-l-thyronine
+COC(=O)c1cn[nH]n1	T45	methyl 2h-1,2,3-triazole-4-carboxylate
+C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O	T46	dtdp-4-keto-6-deoxyglucose
+CC(=O)N1CCN(CC1)Cc2cccc(c2)Cl	T47	1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H]([C@@H]2O)COP(=O)(O)O)O	T48	6'-alpha-hydroxy carbocyclic thymidine 5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)COP(=O)(O)O)O	T49	s4'-2'deoxythymidine 5'-monophosphate
+c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O	T4A	3,3',5,5'-tetraiodothyroacetic acid
+CCc1c(c(nn1c2ccccc2c3cccc(c3)OCC(=O)O)c4ccccc4)c5ccccc5	T4B	((2'-(5-ethyl-3,4-diphenyl-1h-pyrazol-1-yl)-3-biphenylyl)oxy)acetic acid
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2C#N	T4D	2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile
+c1ccc(cc1)c2c(nnc(n2)N)c3ccc(c(c3)Cl)O	T4E	4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol
+C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@H](CC3CCCCC3)NS(=O)(=O)N[C@@H](CCCCN)C(=O)O	T4F	(2~{s})-6-azanyl-2-[[(2~{s})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{r},2~{s},4~{r})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta nyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid
+Cc1cc(cc(n1)C)c2c(nc(nn2)N)c3ccccc3	T4G	6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine
+c1cc(cc(c1)Cl)C(=O)NCCN2C(=O)CSC2=O	T4H	3-chloro-n-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide
+CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2	T4J	n-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O	T4K	(2r,3r,4s,5s,6r)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C[C@@H](c1cccc2c1cccc2)NC(=O)C	T4M	n-[(1r)-1-(naphthalen-1-yl)ethyl]acetamide
+COc1ccc(cc1)NC(=O)C[C@H]2C(=O)NCCS2	T4N	~{n}-(4-methoxyphenyl)-2-[(2~{s})-3-oxidanylidenethiomorpholin-2-yl]ethanamide
+C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O	T4P	3-{2,6,8-trioxo-9-[(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate
+c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCCS	T4Q	2-(2-cyanophenyl)sulfanyl-~{n}-(3-sulfanylpropyl)benzamide
+CC1=CN(C(=O)N=C1[SeH])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T4S	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroseleno-5-methylpyrimidin-2(1h)-one
+CCCCCCCCCCCCCCSCC(=O)O	T4T	2-tetradecylsulfanylethanoic acid
+CC(=O)N1CCN(CC1)Cc2cccc3c2cccc3	T4V	1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one
+c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCS	T4W	2-(2-cyanophenyl)sulfanyl-~{n}-(2-sulfanylethyl)benzamide
+Cc1ccccc1CN2CCCN(CC2)C(=O)C	T4Y	1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one
+c1cc(ccc1SCC(=O)NCCCS)Cl	T4Z	2-(4-chlorophenyl)sulfanyl-~{n}-(3-sulfanylpropyl)ethanamide
+Cc1cccc2c1nc(n2Cc3c(cccc3F)F)c4c(cccc4F)F	T50	1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1h-benzimidazole
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3ccccc3COc4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-]	T51	n-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
+CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCC[NH3+]	T52	n-{6-[3-(4-aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3cccc(c3)COc4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-]	T53	n-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
+c1cscc1[C@@H]2CCC[C@@H]2C(=O)N	T54	(1r,2s)-2-(thiophen-3-yl)cyclopentane-1-carboxamide
+CC(C)CCCCCCC(=O)O	T55	8-methylnonanoic acid
+c1ccc2c(c1)c3cccc(c3o2)/C=C/C(=O)NO	T56	(e)-3-dibenzofuran-4-yl-n-oxidanyl-prop-2-enamide
+c1cc(ccc1C(=O)NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F	T57	n-{6-[(4-fluorobenzoyl)amino]hexanoyl}-l-gamma-glutamyl-5-{[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-l-norvaline
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC/C=C/COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6	T58	2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	T5A	p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]([C@@H](COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)O)O	T5B	2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione
+C\C(=C/C=CC1=[N+](c2ccc(cc2C1(C)C)S(=O)(=O)O)CCS(=O)(=O)O)\C=C\C=C\3/C(c4cc(ccc4N3CCS(=O)(=O)O)S(=O)(=O)O)(C)C	T5C	2-{(1e,3z,5e,7e)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2h-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3h-indolium
+c1ccnc(c1)C2(CCCC2)CO	T5D	[1-(pyridin-2-yl)cyclopentyl]methanol
+CN1CCN(CC1)CCCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCCN6CCN(CC6)C)NCCCCN7CCN(CC7)C)CCCCN8CCN(CC8)C	T5E	2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1 ,3,6,8(2h,7h)-tetrone
+C1CCC(CC1)C[C@@H](C(=O)NC23CC4CC(C2)CC(C4)C3)NS(=O)(=O)N[C@@H](CCCCN)C(=O)O	T5F	(2~{s})-2-[[(2~{s})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid
+c1cc(ccc1S(=O)(=O)N)Br	T5G	4-bromobenzene-1-sulfonamide
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]([C@H](COc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC)O)O	T5H	2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione
+Cc1ccc(cc1F)Nc2cc(c3c(n2)cccc3O)C	T5J	2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O	T5K	[[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4s,5r,6r)-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
+CC(C)(C)c1cc(ccc1O)C(=O)N2Cc3ccccc3C2	T5M	2-tert-butyl-4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)phenol
+CC(C)(C(=O)NCCS)Oc1ccc(cc1)Br	T5N	2-(4-bromanylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+COC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T5O	2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate)
+C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O)COP(=O)(O)O	T5P	3-{2,6,8-trioxo-9-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate
+CC(C)(C(=O)NCCS)Oc1cc(cc(c1)F)F	T5Q	2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+C[Se]C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T5S	 2'-deoxy-5-(methylselanyl)uridine 5'-phosphate
+CC(C)(C(=O)NCCS)Oc1ccc(cc1)F	T5T	2-(4-fluoranylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+c1c(cncn1)N	T5V	pyrimidin-5-amine
+CC(C)(C(=O)NCCS)Oc1cc(cc(c1)Cl)Cl	T5W	2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H](COP(=O)(O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	T5X	2-c-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia zol-3-ium-2-yl}-5-o-phosphono-d-xylitol
+c1ccnc(c1)O	T5Y	pyridin-2-ol
+CC(C)(C(=O)NCCS)Oc1ccc(c(c1)OC)Br	T5Z	2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO	T61	3-benzamido-4-chloranyl-~{n}-oxidanyl-benzamide
+c1ccc2c(c1)c3nc(nn3c(n2)Cc4cc(cc(c4)O)O)N	T62	5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol
+CC1=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O[C@H]4C[C@H](N5[C@@H](C1=NC2=O)[C@@](C(=O)NC5=O)(C)O)O[C@@H]4COP(=O)(O)O)O)O	T64	(6-4)photoproduct
+CCCCCCCCCC/C=C/CCC(=O)/C=N/CC(=O)O	T65	2-[e-(e-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid
+CC1=CN(C(=O)NC1=O)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O	T66	2-aminoethyllysine-carbonylmethylene-thymine
+CN1CCN(CC1)C(=O)Cc2c[nH]c3c2cccn3	T67	1-(4-methylpiperazin-1-yl)-2-(1h-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one
+c1ccnc(c1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	T68	n-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+C[C@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O	T6A	n-[n-(9-b-d-ribofuranosylpurin-6-yl)carbamoyl]threonine-5'-monophosphate
+c1c(cc(c(c1Cl)O)Cl)Cl	T6C	2,4,6-trichlorophenol
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	T6D	alpha-d-glucopyranosyl 6-o-decanoyl-alpha-d-glucopyranoside
+c1cc(ccc1c2csc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	T6E	1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	T6F	2-c-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-o-phosphono-d-glucitol
+CC(C)(C(=O)NCCS)Oc1ccccc1	T6H	2-methyl-2-phenoxy-~{n}-(2-sulfanylethyl)propanamide
+CS(=O)(=O)Cc1[nH]c2ccccc2n1	T6J	2-[(methylsulfonyl)methyl]-1h-benzimidazole
+C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H](C(=O)[C@H](O3)C)O)O)O	T6K	(2r,3r,4r,6r)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2h-pyran-2-yl {(2r,3s,5r)-3-hydroxy-5-[(5r)-5-methyl-2,4-dioxotetrahydropyrimidin-1(2h)-yl]tetrahydrofuran-2-yl}methyl dihydrogen diphosphate
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl	T6M	1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+Cc1ccc(cc1)OC(C)(C)C(=O)NCCS	T6N	2-methyl-2-(4-methylphenoxy)-~{n}-(2-sulfanylethyl)propanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)O)O)O	T6P	trehalose-6-phosphate
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCN(CC4)C(=O)C)C#N	T6Q	2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O)O)O)O)O	T6S	alpha-d-glucopyranosyl 6-o-sulfo-alpha-d-glucopyranoside
+C1[C@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O	T6T	alpha-d-tagatopyranose
+CC(=O)N(c1ccccc1)[C@@H]2CS(=O)(=O)C=C2	T6V	n-[(3s)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-phenylacetamide
+CC(C)(C(=O)NCCS)Oc1ccc(cc1Cl)[N+](=O)O	T6W	2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+CC(=O)N1CCN(CC1)Cc2ccc(s2)Cl	T6Y	1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
+CN1c2ccccc2C(=CC1=O)CP(=O)(O)O	T6Z	[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
+Cc1ccc(c(c1)S(=O)(=O)N2CCN(CC2)C(=O)C)C	T71	1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F	T72	3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid
+C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)c3ccc(cc3)O	T73	(1s,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate
+Cc1cccc(c1Nc2c3cnc(nc3n(n2)CCC(C)(C)OC)Nc4ccc(cc4)N5CCNCC5)C	T74	n~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-n~6~-(4-piperazin-1-ylphenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,6-diamine
+CCc1nc(c(s1)c2ccnc(c2)NC(=O)c3ccccc3)c4cccc(c4)C	T75	tak-715
+c1cc2c(cc1Cl)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)CCNC(=O)CO2)C4CCCCC4	T76	(6r,21as)-17-chloro-6-cyclohexyl-2,3,6,7,10,11,19,20-octahydro-1h,5h-pyrrolo[1,2-k][1,4,8,11,14]benzoxatetraaza-cycloheptadecine-5,8,12,21(9h,13h,21ah)-tetrone
+CN(C)CCOc1ccc(cc1)c2c(c3c([nH]2)ncnc3NCC4SCCS4)c5ccccc5	T77	6-{4-[2-(dimethylamino)ethoxy]phenyl}-n-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(=O)Nc1nc2c(cccc2s1)OC	T7A	n-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
+CC(=O)N1CCC(CC1)NC(=O)c2ccccc2	T7D	n-(1-acetylpiperidin-4-yl)benzamide
+CC(=O)N1CCC(CC1)C(=O)Nc2ccccc2O	T7G	1-acetyl-n-(2-hydroxyphenyl)piperidine-4-carboxamide
+Cc1ccc(cc1)N([C@H]2CS(=O)(=O)C=C2)C(=O)C	T7J	n-[(3r)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-(4-methylphenyl)acetamide
+c1cc(ccc1C[N+]23CC[N+]45[Yb]2678([N+](CC4)(CC[N+]6(CC3)CC(=O)O7)CC(=O)O8)OC(=O)C5)O	T7K	neutral yb(iii)-caged complex
+CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	T7M	(2r)-1-(heptadecanoyloxy)-3-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+CC(=O)OCc1cccc(c1)c2cccc(c2)C(=O)O	T7O	3-[3-(acetyloxymethyl)phenyl]benzoic acid
+CC(=O)N(c1ccc(cc1)F)[C@H]2CS(=O)(=O)C=C2	T7P	n-[(3r)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-(4-fluorophenyl)acetamide
+CC(=O)N1CCC(CC1)C(=O)N2CCCCC2	T7S	1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one
+C[C@H](c1cccc(c1)Cl)NC(=O)C	T7V	n-[(1s)-1-(3-chlorophenyl)ethyl]acetamide
+CC(C)(CC(=O)N1Cc2c([nH]cn2)C[C@@H]1c3nc(no3)c4ccncc4)CC(=O)O	T7W	(r)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5h-imidazo[4,5-c]pyridin-5-yl)pentanoic acid
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C/CCCCC	T7X	phosphatidylinositol
+CC(=O)Nc1cccc(c1)N2CCCC2=O	T7Y	n-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
+Cc1ccc(cc1S(=O)(=O)N2CCOCC2)Nc3ncc(c(n3)C4=C(NC(=NC)S4)C)C#N	T7Z	4-(4-methyl-2-methylimino-3h-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile
+CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC	T80	methylpenta(oxyethyl) heptadecanoate
+CC(=O)N1CCN(CC1)Cc2ccc(s2)Br	T81	1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
+c1cc(cc(c1)Cl)[C@@H](CN)C(=O)N/N=C/c2ccc(c(c2)Br)O	T82	(s,e)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium
+CC(=O)N1CCN(CC1)Cc2ccsc2	T84	1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one
+COc1ccc(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NO	T86	3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{n}-oxidanyl-benzamide
+[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)C4(CC4)/C(=N\OCC(=O)OCC)/c5ccccn5)\N	T87	[(1-{2[(4-carbamimidoyl-phenylamino)-methyl]-1-methyl-1h-benzoimidazol-5-yl}-cyclopropyl)-pyridin-2-yl-methyleneaminooxy]-acetic acid ethyl ester
+CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@H](COc2ccc(cc2)NS(=O)(=O)C)O	T88	n-{4-[(2r)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+CC(=O)N1Cc2ccccc2[C@@H](C1)c3ccccc3	T8A	1-[(4s)-4-phenyl-3,4-dihydroisoquinolin-2(1h)-yl]ethan-1-one
+COc1c2c(cc3c1c(c(c(c3)CC(=O)O)C(=O)/C=C(/c4ccccc4O)\O)OC)cc5c(c2O)C(=O)OC(=C5)C(=O)OC	T8B	thermorubin
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(s2)Cl	T8D	1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)SCC(=O)OC2CCCCC2	T8G	(2~{s},3~{r},4~{r})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CC(=O)N1CCN(CC1)C(=O)c2cccs2	T8J	1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one
+C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)S	T8L	thio-phosohothreonine
+CC(=O)N1CCN(CC1)Cc2cccs2	T8M	1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
+COC(=O)C/C(=C\C(=O)O)/C(=O)O	T8N	(2e)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid
+CC(=O)N1CCN(CC1)c2ccc(cc2)OC	T8P	1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
+CC(C)N(C)C(=O)C1CCN(CC1)C(=O)C	T8S	1-acetyl-n-methyl-n-(propan-2-yl)piperidine-4-carboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)NC(=NC2=O)N	T8T	2'-deoxyguanosine-5'-o-(1-thiotriphosphate)
+CC(=O)Nc1cccnc1Cl	T8V	n-(2-chloropyridin-3-yl)acetamide
+c1cc(ccc1Cc2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)Cc1cc(cc(c1O)C3)Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])O)S(=O)(=O)[O-]	T8W	4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate
+CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS(=O)(=O)O)CO)O	T8X	2-o-sulfo-alpha-d-glucopyranosyl 2-o-hexadecanoyl-3-o-[(2e,4s,6s,8s)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-d-glucopyranoside
+CC(=O)N1CCN(CC1)C(=O)C	T8Y	1,1'-(piperazine-1,4-diyl)di(ethan-1-one)
+Cn1c(cnn1)c2[nH]c3cc(ccc3n2)CN4CCC[C@H]4c5ccncc5	T8Z	2-(1-methyl-1h-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1h-benzo[d]imidazole
+Cc1nnc(n1Cc2ccccc2)SCc3cc(ccc3OC)C(=O)C	T90	1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone
+CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1	T91	n-[2-(1h-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4OC(=O)C=C)Cl	T92	2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate
+CCCCCCOc1ccnc(c1)NC(P(=O)(O)O)P(=O)(O)O	T93	[[(4-hexoxypyridin-2-yl)amino]-phosphono-methyl]phosphonic acid
+CCCCCCCCC(=O)c1cc(c(c(c1)O)O)O	T94	1-(3,4,5-trihydroxyphenyl)nonan-1-one
+CCOc1ccccc1Oc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)CCO)C(=O)Nc5c(cccc5C)C	T95	n-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide
+CC(C)CN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	T97	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](2-methylpropyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+CC1(c2cc(ccc2NC(=S)O1)c3ccc(n3C)C#N)C	T98	5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2h-3,1-benzoxazin-6-yl)-1-methyl-1h-pyrrole-2-carbonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N	T99	adenosine-5'-sp-alpha-thio-triphosphate
+Cc1ccc2c(c1)[C@H](N(CC(=O)N2)C(=O)c3ccc(s3)Br)c4cc(cc(c4)C)C	T9A	(5r)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one
+COc1ccc(cc1)CNC(=O)[C@@H]2CCCO2	T9B	(2s)-n-(4-methoxybenzyl)tetrahydrofuran-2-carboxamide
+c1cc2cn(cc2cc1OC3CCNCC3)C4=C(C(=O)NN=C4)C(F)(F)F	T9D	5-{5-[(piperidin-4-yl)oxy]-2h-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2h)-one
+C[C@H]([C@@H](C(=O)O)N)[SeH]	T9E	selenothreonine
+CC[C@H](c1ccccc1O)N	T9G	2-[(1r)-1-aminopropyl]phenol
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)S(=O)(=O)c6cccs6	T9H	2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide
+CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCC#CBr	T9J	nalpha-acetyl-n-(3-bromoprop-2-yn-1-yl)-l-tyrosinamide
+COC(=O)COc1ccc(cc1)C#N	T9K	methyl 2-(4-cyanophenoxy)ethanoate
+C[C@H]([C@H](C(=O)NCC=C)NC(=O)C)O	T9M	n~2~-acetyl-n-prop-2-en-1-yl-d-allothreoninamide
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)O)C#N	T9N	2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile
+CC(=O)N[C@@H](CC(=O)N)C(=O)NCC=C	T9P	n~2~-acetyl-n~1~-prop-2-en-1-yl-l-aspartamide
+COCC(=O)NCc1ccccc1	T9Q	n-benzyl-2-methoxyacetamide
+CCOC(=O)N1Cc2ccncc2C1	T9S	ethyl 1,3-dihydro-2h-pyrrolo[3,4-c]pyridine-2-carboxylate
+c1ccc(cc1)[Sn](c2ccccc2)c3ccccc3	T9T	triphenylstannanyl
+CC(=O)Nc1ccc(cc1)OC	T9V	n-(4-methoxyphenyl)acetamide
+c1cc(ccc1N2C(=O)CCC2=O)OCC(=O)[O-]	T9W	2-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]acetate
+CCOC(=O)c1cn[nH]c1C(F)(F)F	T9Y	ethyl 5-(trifluoromethyl)-1h-pyrazole-4-carboxylate
+c1ccc2c(c1)ccc(c2O)C[NH+]3CCOCC3	T9Z	2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol
+[Ta]	TA0	tantalum
+CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C	TA1	taxol
+c1ccc(cc1)[C@@H]([C@H](CO)O)N	TA2	(2r,3s)-3-amino-3-phenylpropane-1,2-diol
+C[C@@H]1CN2[C@H]1N(C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	TA3	(4s,5r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methyl-1,3-diazabicyclo[2.2.0]hexan-2-one
+CC(C)C[C@@H](C(=O)O)n1cc(nn1)CN	TA4	(s)-2-[4-(aminomethyl)-1h-1,2,3-triazol-1-yl]-4-methylpentanoic acid
+c1c(n[nH]n1)CO	TA5	2h-1,2,3-triazol-4-ylmethanol
+C([C@@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O	TA6	6-o-phosphono-beta-d-tagatofuranose
+COc1ccc(cc1)C(=O)CC(=O)C(F)(F)F	TA7	4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione
+C[C@@H](C[C@@H](C[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	TA8	polyacrylic acid
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cccc-3c2C(=O)c4c3cccc4)O)O)O	TA9	9-oxo-n-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-piperidin-2-yl]methyl]fluorene-1-carboxamide
+c1cc(ccc1C[P@](=O)(O)O[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(C(Cl)Cl)O)NC(=O)C(F)(F)F	TAA	[4-(2,2,2-trifluoro-acetylamino)-benzyl]-phosphonic acid mono-[2-(2,2-dichloro-1-hydroxy-ethylamino)-3-hydroxy-1-(4-nitro-phenyl)-propyl] ester
+CCc1c(c(nc(n1)N)N)c2ccc(c(c2)N=NN(CCOC(=O)C)Cc3ccccc3)Cl	TAB	acetic acid n-[2-chloro-5-[6-ethyl-2,4-diamino-pyrimid-5-yl]-phenyl]-[benzyl-triazen-3-yl]ethyl ester
+C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O	TAC	tetracycline
+c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N	TAD	beta-methylene-thiazole-4-carboxyamide-adenine dinucleotide
+CC1=CN(C(=O)NC1=O)C\C=C\C[P@](=O)(O)OP(=O)(O)O	TAE	n1-[(e)-4-dihydroxyphosphonyl-but-2-enyl]-thymine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	TAF	2'-deoxy-2'-fluoro-arabino-furanosyl thymine-5'-phosphate
+C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O	TAG	d-tagatose
+c1ccc(cc1)COc2ccccc2C(=O)NN	TAH	2-(benzyloxy)benzohydrazide
+C[C@@H]1C[C@]2([C@@]([C@H]3[C@H]1[C@@]4([C@@H]([C@H]3O)[C@H]5[C@H]([C@@H]([C@@H]4OC(=O)C)OC(=O)C)[C@@]6([C@H](C[C@H]7[C@@H]([C@@H]6OC(=O)C)O7)C(=O)[C@@H]5O)C)C)([C@](C(=O)O2)(C)O)C)O	TAJ	taccalonolide aj
+c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5	TAK	6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
+Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@H](C)O)O)O	TAL	9-(6-deoxy-alpha-l-talofuranosyl)-6-methylpurine
+C(CO)C(CCO)(CCO)N	TAM	tris(hydroxyethyl)aminomethane
+CC(C)(C)C#N	TAN	2,2-dimethylpropanenitrile
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](C[C@@]3(CO3)C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C	TAO	troleandomycin
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N	TAP	7-thionicotinamide-adenine-dinucleotide phosphate
+c1cc2c(cc1N)c(nc(n2)N)N	TAQ	2,4,6-triaminoquinazoline
+[C@H]([C@@H](C(=O)O)O)(C(=O)O)O	TAR	d(-)-tartaric acid
+O[As](O)O	TAS	trihydroxyarsenite(iii)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N	TAT	adenosine-5'-rp-alpha-thio-triphosphate
+C(CS(=O)(=O)O)N	TAU	2-aminoethanesulfonic acid
+CN([C@@H](CC(=O)O)C(=O)O)C(=O)c1cc(ccc1NS(=O)(=O)c2ccc3ccccc3c2)OS(=O)(=O)c4ccc5ccccc5c4	TAV	n-methyl-n-{2-[(2-naphthylsulfonyl)amino]-5-[(2-naphthylsulfonyl)oxy]benzoyl}-l-aspartic acid
+COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@@H]4CCN(C4)C(=O)C=C)N	TAW	futibatinib
+CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC[NH+](C)C)/c3ccccc3	TAX	(z)-2-[4-(1,2)-diphenyl-1-butenyl)-phenoxy]-n,n-dimethylethanaminium
+CC(C)(C)C(=O)N	TAY	2,2-dimethylpropanamide
+C[C@@]1([C@@H](N2[C@@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3	TAZ	tazobactam
+[Tb+3]	TB	terbium(iii) ion
+CC(C)(C)[N+]#[C-]	TB0	tert-butyl isocyanide
+c1ccc(cc1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O	TB1	(3s)-3-(benzyloxy)-l-aspartic acid
+CC(C)(C)c1ccc(cc1)CC=O	TB2	(4-tert-butylphenyl)acetaldehyde
+c1ccn(c1)c2ccc(cc2)N3CCOCC3	TB5	4-(4-pyrrol-1-ylphenyl)morpholine
+C[C@H](CP(=O)(O)O)O	TB6	[(2r)-2-hydroxypropyl]phosphonic acid
+CC(C)(C)OC(=O)N1CC(C1)NC2=Nc3c(cccn3)C(=O)N2	TB7	tert-butyl 3-[(4-oxo-3h-pyrido[2,3-d]pyrimidin-2-yl)amino]azetidine-1-carboxylate
+c1ccc(c(c1)/C=C/C(=O)NO)Cl	TB8	(~{e})-3-(2-chlorophenyl)-~{n}-oxidanyl-prop-2-enamide
+C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C	TB9	4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione
+CCCC[N+](CCCC)(CCCC)CCCC	TBA	tetrabutylammonium ion
+CC(C)(C)NC(=O)O	TBB	tert-butylcarbamic acid
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H](CC4)O	TBC	(9s,10r)-9-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene
+[BH3-][P@@+](O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)OP(=O)(O)O	TBD	2*-deoxy-thymidine-5*-alpha borano diphosphate (isomer rp)
+C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C/C=O)S(=O)=O	TBE	tazobactam intermediate
+CC(C)(C)OC=O	TBF	tert-butyl formate
+CC(C)(C)[C@@H](C(=O)O)N	TBG	3-methyl-l-valine
+CCCCCN[C@@H]([C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)N[C@H]([C@H](Cc2ccccc2)N[C@@H](O)OC(C)(C)C)O)O	TBH	5-(2-{2-[(tert-butoxy-hydroxy-methyl)-amino]-1-hydroxy-3-phenyl-propylamino}-3-hydroxy-3-pentylamino-propyl)-2-carboxymethoxy-benzoic acid
+C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C\C=O)S(=O)=O	TBI	tazobactam trans-enamine intermediate
+C1CCC(C1)NC(=O)NC[C@H]2CCCO2	TBJ	n-cyclopentyl-n'-{[(2r)-oxolan-2-yl]methyl}urea
+CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnc5n4cccc5	TBK	~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{s})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
+C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)OC	TBL	n-[(4-methoxyphenyl)sulfonyl]-d-alanine
+C\C=C\C[C@@H](C)[C@H]([C@@H](C(=O)O)N(C)C)O	TBM	4-methyl-4-[(e)-2-butenyl]-4,n-dimethyl-threonine
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	TBN	'2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+C[C@H]1CN2c3c(ccc(c3C[N@]1CC=C(C)C)Cl)NC2=S	TBO	5-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione
+c1c(cc(c(c1Br)O)Br)Br	TBP	2,4,6-tribromophenol
+CC(C)(C)[C@](CCc1ccc(cc1)Cl)(Cn2cncn2)O	TBQ	(3~{r})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
+Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)[Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1)(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6	TBR	hexatantalum dodecabromide
+c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2	TBS	4,5,6,7-tetrabromobenzotriazole
+c1ccc2c(c1)ccc3c2cc4c(c3)[C@@H]([C@H]([C@H](C4)O)O)O	TBT	8,9,10,11-tetrahydro-benzo[a]anthracene-8,9,10-triol
+CC(C)(C)O	TBU	tertiary-butyl alcohol
+Cc1c(c([nH]c1Cc2c(c(c([nH]2)OC(C)(C)C)C)C=C)Cc3c(c(c([nH]3)\C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O	TBV	3-[2-[[3-(2-carboxyethyl)-5-[[3-ethenyl-4-methyl-5-[(2-methylpropan-2-yl)oxy]-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol -2-yl]methyl]-5-[(z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+CC(C)(C)[C@@](CCc1ccc(cc1)Cl)(Cn2cncn2)O	TBX	(3~{s})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
+CCCC[Sn](CCCC)CCCC	TBY	tributylstannanyl
+COc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)c6[nH]c7cc(ccc7n6)[N@]8CC[C@@H](C8)[NH3+]	TBZ	2''-(4-methoxyphenyl)-5-(3-amino-1-pyrrolidinyl)-2,5',2',5''-tri-benzimidazole
+C1[C@@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)OP(=O)(=O)O	TC	4-azanyl-1-[(2~{r},3~{r},4~{s})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]pyrimidin-2-one
+c1cc(ccc1CNC2CC2)Nc3cc([nH]n3)c4ccc(cc4)c5ccc(cc5O)O	TC0	4'-[5-[[3-[(cyclopropylamino)methyl]phenyl]amino]-1h-pyrazol-3-yl]-[1,1'-biphenyl]-2,4-diol
+c1ccc2c(c1)NC3=NC(=O)N(C=C3S2)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	TC1	3-(5-phospho-2-deoxy-beta-d-ribofuranosyl)-2-oxo-1,3-diaza-phenothiazine
+c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(=O)C3=CC=CC(=O)N3O	TC2	n-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide
+CCO[P@@](=O)(NC)O	TC3	ethyl hydrogen methylamidophosphate
+CCCCNC(=O)OC[C@H](CO[P@H](=O)CCCC)OC(=O)NCCCC	TC4	butyl-phosphinic acid 2,3-bis-butylcarbamoyloxy-propyl ester group
+CCCN[P@](=O)(O)OCC	TC5	ethyl hydrogen propylamidophosphate
+CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O	TC6	(2e)-hexenoyl-coa
+c1c(c(cc(c1Cl)Cl)Cl)O	TC7	2,4,5-trichlorophenol
+CSC1=Nc2ccccc2C(=O)N1c3c(cccc3F)F	TC8	3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3h)-one
+C[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)O)(C)C)OC	TC9	d-tubocurarine
+c1ccc(cc1)\C=C\C(=O)O	TCA	phenylethylenecarboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	TCB	thiocellobiose
+c1ccc(c(c1)Nc2ccc(cc2Cl)Cl)O	TCC	2-(2,4-dichloro-phenylamino)-phenol
+c1cc(ccc1Oc2c(cc(cn2)Cl)Cl)Oc3c(cc(cn3)Cl)Cl	TCD	3,5-dichloro-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}pyridine
+C(CP(CCC(=O)O)CCC(=O)O)C(=O)O	TCE	3,3',3''-phosphanetriyltripropanoic acid
+c1cc(ccc1CCC(=O)N)Br	TCF	3-(4-bromophenyl)propanamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)[N+](C)(C)C)O)NC(=O)C)O)NC(=O)C)O	TCG	2-deoxy-2-(trimethylammonio)-beta-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1->4)-2-(acety  lamino)-2-deoxy-beta-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	TCH	taurocholic acid
+CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O	TCI	(6ar,10ar)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6h-benzo[c]chromen-1-ol
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)OP(=O)(O)O)O	TCJ	[(1~{s},2~{r},4~{r},6~{s},8~{r})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate
+Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl	TCK	n-[(1s)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide
+c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl	TCL	triclosan
+CC1([C@@H]2CC[C@]1(C(=S)C2)C)C	TCM	thiocamphor
+C(#N)[Ni-2](C#N)(C#N)C#N	TCN	tetracyanonickelate ion
+CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1	TCO	tert-butyl(1s)-1-cyclohexyl-2-oxoethylcarbamate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC)O	TCP	5'-methylthymidine
+c1ccc(cc1)[C@H]2C[C@@H]2/[NH+]=C/3\C=C(C(=O)C=C3O)C[C@@H](C(=O)O)N	TCQ	(1s,2r)-n-{(1e)-5-[(2s)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium
+c1ccc2c(c1)c3c([nH]2)CN[C@@H](C3)C(=O)O	TCR	cyclomethyltryptophan
+c1cc(cc2c1cc(cc2)Oc3ccc(cc3O)Cl)O	TCT	6-(4-chloro-2-hydroxy-phenoxy)-naphthalen-2-ol
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2C	TCU	5-hexyl-2-(2-methylphenoxy)phenol
+C(=C(Cl)Cl)Cl	TCV	1,1,2-trichloroethene
+Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-]	TCW	tolcapone
+CCNP(=O)(O)O	TCX	ethylphosphoramidic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)OP(=O)(O)O)O)N	TCY	(2r,3as,4ar,5ar,5bs)-2-(6-amino-9h-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4h)-yl dihydrogen phosphate
+c1c(cc(cc1Cl)Cl)Cl	TCZ	1,3,5-trichloro-benzene
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@H](CO)N)C(=O)O	TD1	o-[(2s)-2-amino-3-hydroxypropanoyl]-n-(2,3-dihydroxybenzoyl)-l-serine
+c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)CO)O	TD2	3-deoxy-3-[4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl]-1-thio-beta-d-galactopyranoside
+C(CCO)CN(C(=O)COP(=O)(O)O)O	TD3	2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate
+C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O	TD4	4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TD5	(4~{r})-4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TD6	(4s)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid
+Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)OP(=O)(O)O)C	TD7	(4e)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-2(3h)-ylidene}-4-hydroxybutanoic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TD8	(5r)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TD9	(5s)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate
+CCCCCCCCCCCCC(=O)O	TDA	n-tridecanoic acid
+B1(c2cc(sc2C=NN1S(=O)(=O)CCC)C)O	TDB	6-methyl-2(propane-1-sulfonyl)-2h-thieno[3,2-d][1,2,3]diazaborinin-1-ol
+Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O	TDC	5a,6-anhydrotetracycline
+CC(C)(C)[C@H](C(=O)O)N	TDD	(2r)-2-amino-3,3-dimethyl-butanoic acid
+CC(C)(C)\C=C\[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1CC[C@H](CNC1=O)O)OC)O)O)O	TDE	(e)-(2r,3r,4s,5r)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-non-6-enoic acid ((3s,6r)-6-hydroxy-2-oxo-azepan-3-yl)-amide
+c1cc(ccc1C[C@H](C(=O)O)N)C(F)(F)F	TDF	4-(trifluoromethyl)-d-phenylalanine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O	TDG	thiodigalactoside
+c1cc(ccc1c2cnnn2c3ccc(cc3)O)O	TDH	4,4'-(1h-1,2,3-triazole-1,5-diyl)diphenol
+CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	TDI	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12	TDJ	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2h-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O	TDK	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1s)-1-hydroxy-1-[(r)-hydroxy(methoxy)phosphoryl]ethyl}-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	TDL	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-carboxy-1-hydroxyethyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\C)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C	TDM	2-[(2e)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate
+CC/C(=C\1/N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)/O	TDN	2-[(2e)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+C[C@H]1C(=O)[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O	TDO	dtdp-4-keto-l-rhamnose
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-]	TDP	thiamin diphosphate
+CC1=CNC(=O)NC1=O	TDR	thymine
+CCCCCCCCCCCCCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C	TDS	8-hydroxy-5,7-dimethoxy-3-methyl-2-tridecyl-4h-chromen-4-one
+c1ccc(cc1)[C@@H](C(=O)N2CCCCCC2)N3C=Nc4c(cn(n4)[C@H]5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)([O-])OP(=O)([O-])OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)[O-])[O-])O)O)C3=S	TDT	1-azepan-1-yl-2-phenyl-2-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone adduct
+c1cc2c(cc1NC(=O)NCCC3=CCCCC3)snn2	TDU	1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea
+c1ccc(cc1)CCCC(=O)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)c5ccc(cc5)F	TDV	1-[(2s,4s)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](C)O)CCOP(=O)(O)OP(=O)(O)O	TDW	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[(1s)-1-oxidanylethyl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O	TDX	thymidine-5'-diphospho-beta-d-xylose
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)NC	TDY	5-(methylamino)thymidine 5'-(dihydrogen phosphate)
+Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@@H]4C(=O)NC(=O)S4)C	TDZ	(5r)-5-(4-{[(2r)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione
+[TeH2]	TE	tellurium
+CC(C)C[C@@H](c1cc(c(cc1OC)O)/C=C\C(=O)O)O	TE1	(2z)-3-{2-hydroxy-5-[(1s)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid
+CC\1(c2ccccc2N(/C1=C\CC3=C(/C(=C\C=C\4/C(c5ccccc5N4C)(C)C)/CCC3)NCCCCCCNC(=O)CCc6ccc(cc6)S(=O)(=O)N)C)C	TE2	3-(4-sulfamoylphenyl)-n-[6-({(6z)-2-[(2z)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethyl]-6-[(2e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide
+CCCCNc1ccc(cc1)C(=O)OCCN(C)C	TE4	tetracaine
+COc1cc(nc(n1)N)c2ccccc2	TE5	4-methoxy-6-phenyl-pyrimidin-2-amine
+O[Te](O)(O)(O)(O)O	TE6	orthotelluric acid
+CN(C)CCNc1ccc2c3c1C(=O)c4cc(ccc4-n3cn2)OC	TE7	5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6h-imidazo[4,5,1-de]acridin-6-one
+C[C@H](C(=O)O)Oc1ccc(cc1)c2ccccc2	TE8	(2~{r})-2-(4-phenylphenoxy)propanoic acid
+CC[NH+](CC)CC	TEA	triethylammonium ion
+C[C@@H]1[C@@H](NC(=C1SC2CN(C2)C3=NCCS3)C(=O)O)[C@H](C=O)[C@@H](C)O	TEB	(4r,5s)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2s,3r)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1h-pyrrole-2-carboxylic acid
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O	TEC	2-amino-6-o-decanoyl-2-deoxy-beta-d-glucopyranose
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C(=O)NCCNC(=O)C[N@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)COP(=O)(O)O)O	TED	5-[(1e)-14-carboxy-10,13-bis(carboxymethyl)-3,8-dioxo-4,7,10,13-tetraazatetradec-1-en-1-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate)
+C(=CS)N	TEE	2-amino-ethenethiol
+c1cc(ccc1C[C@@H](C(=O)O)N)n2ncnn2	TEF	4-(2h-tetrazol-2-yl)-l-phenylalanine
+C(COCCOCC(=O)O)O	TEG	[2-(2-hydroxyethoxy)ethoxy]acetic acid
+c1ccc(cc1)OCC(=O)N2CCNC(=O)C2	TEH	4-(2-phenoxyethanoyl)piperazin-2-one
+Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)O	TEI	2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-5-thiazole-carboxylic acid
+C[C@@H](C[C@H]1CC(=C)C(=O)O1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C	TEJ	(1s,3r,5z,7e,20s,23s)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one
+CCn1c2ccccc2nc1NC(=O)C	TEK	~{n}-(1-ethylbenzimidazol-2-yl)ethanamide
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nc4)c5cccnc5)C	TEL	telithromycin
+C(C=O)C(CN\C=C\C=O)O	TEM	n-(2-hydroxy-4-oxo-butyl)-n-(3-oxo-transpropenyl)amine
+CCOP(=O)(OCC)OCC	TEN	triethyl phosphate
+C(=C(\O)/[O-])\[C@H](C(=O)[O-])O	TEO	malate like intermediate
+CN1c2c([nH]cn2)C(=O)N(C1=O)C	TEP	theophylline
+Cc1c(cccn1)[C@H]2C[C@H](Nc3n2ncc3F)c4cccc5c4ccc(n5)N	TEQ	5-[(5s,7r)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
+C(CCNCCCNCCCN)CN	TER	n-(3-amino-propyl)-n-(5-aminopropyl)-1,4-diaminobutane
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C	TES	testosterone
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O[C@](CF)(C(=O)O)OP(=O)(O)O	TET	uridine-diphosphate-2(n-acetylglucosaminyl-3-fluoro-2-phosphonooxy)propionic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O	TEU	1-o-alpha-d-glucopyranosyl-d-fructose
+CC1=NC(=O)N=C(C1)C(=O)O	TEV	6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid
+[O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O]	TEW	6-tungstotellurate(vi)
+CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3[C@](C)(CCC=C(C)C)C=C)N1C)CO	TEX	(2s,5s)-9-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCn4ncnn4)O)C	TEY	(1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]cyclohexane-1,3-diol
+CC(=O)Nc1ccc2c(c1)nsn2	TEZ	n-(2,1,3-benzothiadiazol-5-yl)acetamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	TF0	2-(acetylamino)-2-deoxy-3-o-beta-d-galactopyranosyl-alpha-d-galactopyranose
+C[C@H]1CN([C@@H](CN1C(=O)[C@](C)(C(F)(F)F)O)C)C(=O)c2ccc(cc2)C#N	TF1	4-({(2r,5s)-2,5-dimethyl-4-[(2r)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrile
+CC[N@@](c1ccccc1)S(=O)(=O)c2ccc(c(c2)C)NC(=O)[C@](C)(C(F)(F)F)O	TF2	(n-{4-[(ethylanilino)sulfonyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
+CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN	TF3	n-(2-aminoethyl)-2-{3-chloro-4-[(4-isopropylbenzyl)oxy]phenyl} acetamide
+C(C(=O)O)(Cl)Cl	TF4	dichloro-acetic acid
+c1ccc(c(c1)c2ccc(c(c2F)F)F)OCCO	TF5	2-[(2',3',4'-trifluorobiphenyl-2-yl)oxy]ethanol
+c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)O	TF6	4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
+C[C@](Cn1ccnn1)([C@H](C(=O)O)N)S(O)O	TF7	(3s)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1h-1,2,3-triazol-1-yl)-d-valine
+C[C@@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O	TF8	(2r,3s,4s,5s)-2,3,4,5-tetrahydroxyhexanoic acid
+C(=O)(C(F)(F)F)O	TFA	trifluoroacetic acid
+C1C[C@H](OC1)C(=O)O	TFB	tetrahydrofuran-2-carboxylic acid
+CCCCCCCCSCC(=O)C(F)(F)F	TFC	1,1,1-trifluoro-3-(octylthio)acetone
+Cc1c(c(nc(n1)c2ccccn2)NCCNc3cccc(n3)C(F)(F)F)Cl	TFD	n-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-n'-[6-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(F)(F)F	TFE	2'-o-[2-(trifluoro)ethyl] thymidine-5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(C(F)(F)[P@@](=O)(C(F)(F)P(=O)(O)O)O)O)O	TFF	5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine
+c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(C(F)(F)F)(O)O	TFG	2,2,2-trifluoro-1-{5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)carbonyl]thiophen-2-yl}ethane-1,1-diol
+N#N	TFH	nitrogen of trifluoro-ethylhydrazine
+CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(=NC=C(C1=O)NS(=O)(=O)C)c2ccc(cc2)N	TFI	2-[5-methanesulfonylamino-2-(4-aminophenyl)-6-oxo-1,6-dihydro-1-pyrimidinyl]-n-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)acetamide
+CCN(/C=C/[C@@H](C)[C@H]([C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@@H](C(C)C)OC(=O)CCCN)OC)OC(=O)[C@H]1CCCO1)OC)C=O	TFJ	(1e,3r,4r,5s,6r,9s,10s,12s)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2r)-oxolane-2-carboxylate
+CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NS(=O)(=O)NC)c2ccccc2	TFK	3-[[(methylamino)sulfonyl]amino]-2-oxo-6-phenyl-n-[3,3,3-trifluoro-1-(1-methylethyl)-2-oxophenyl]-1(2h)-pyridine acetamide
+C[n+]1c2ccc(cc2sc1c3ccc(cc3)N(C)C)O	TFL	2-[4-(dimethylamino)phenyl]-6-hydroxy-3-methyl-1,3-benzothiazol-3-ium
+CCSC(=Nc1ccc(cc1)C(F)(F)F)N	TFM	s-ethyl-n-[4-(trifluoromethyl)phenyl]isothiourea
+[H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](COC(C)(C)C)NS(=O)(=O)Cc2ccccc2)\N	TFN	n-(benzylsulfonyl)-o-tert-butyl-d-seryl-n-(4-carbamimidoylbenzyl)glycinamide
+C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O	TFO	[2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methylphosphonic acid
+CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F	TFP	10-[3-(4-methyl-piperazin-1-yl)-propyl]-2-trifluoromethyl-10h-phenothiazine
+c1cc(ccc1C[C@@H](C(=O)O)N)CC(F)(F)F	TFQ	4-(2,2,2-trifluoroethyl)-l-phenylalanine
+C[C@H]([C@@H](C(F)(F)F)O)NC(=O)CCCC[C@H](C(=O)O)N	TFR	(2r)-2-amino-7-oxo-7-{[(2r,3s)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid
+C(F)(F)(F)S(=O)(=O)O	TFS	trifluoromethanesulfonic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](CO2)OP(=O)(O)O)O	TFT	(l)-alpha-threofuranosyl-thymine-3'-monophosphate
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)O)O)O	TFU	methyl 1-seleno-beta-l-fucopyranoside
+Cc1c(c(nc(n1)c2ccccn2)NCCNc3ccc(cn3)C(F)(F)F)Cl	TFV	n-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-n'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
+Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C	TFX	2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCn4cnnn4)O)C	TFY	(1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol
+c1ccc(cc1)NC(=O)c2ccccc2C(F)(F)F	TFZ	n-phenyl-2-(trifluoromethyl)benzamide
+c1nc2c(n1[C@H]3[C@@H]([C@H](CO3)OP(=O)(=O)O)O)N=C(NC2=O)N	TG	2-azanyl-9-[(2~{r},3~{r},4~{s})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{h}-purin-6-one
+Cc1c(cccc1N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4c(ncs4)C)O	TG0	(2s,4r)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-n-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
+CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	TG1	octanoic acid [3s-[3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha(z), 9balpha]]-6-(acetyloxy)-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)ox y]-2-oxo-4-(1-oxobutoxy)-azuleno[4,5-b]furan-7-yl ester
+c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)O	TG2	4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCc2ccccc2	TG3	ethyl (4r)-4-[[(2s)-4-methyl-2-[[(2s,3r)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
+CCCCNCC(=O)NCCc1ccc(cc1)S(=O)(=O)N	TG4	2-(butylamino)-~{n}-[2-(4-sulfamoylphenyl)ethyl]ethanamide
+CCCCNCC(=O)Nc1ccc(cc1)S(=O)(=O)N	TG5	2-(butylamino)-~{n}-(4-sulfamoylphenyl)ethanamide
+C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O	TG6	6-o-phosphono-d-tagatose
+c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O	TG7	4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O	TG8	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
+C(CS)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	TGA	2-sulfanylethyl beta-d-galactopyranoside
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)S	TGB	[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CSCC(=O)O)O	TGC	3-thiaglutaryl-coa
+CC(=O)[C@H]([C@H]([C@@H](CO)O)O)O	TGD	1-deoxy-d-tagatose
+CCCOCCN1c2cc(ncc2N=C(C1=O)NCCN3CCOCC3)c4ccc(nc4)OC	TGE	7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1h)-one
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2C=O)C(=O)NC(=N3)N	TGF	2-[4-(4-{4-[(2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-carboxy-butyrylam ino)-4-carboxy-butyrylamino]-pentanedioic acid
+C(CC(=O)N[C@@H](CS[C@H](CC(=O)O)C(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	TGG	gamma-glutamyl-s-(1,2-dicarboxyethyl)cysteinylglycine
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N[C@H](C(=O)O)O	TGH	6-{[(s)-carboxy(hydroxy)methyl]amino}-7-hydroxy-l-tryptophan
+CC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O	TGJ	1-deoxy-l-tagatose
+C[C@]1([C@@H]([C@@H]([C@H](CO1)O)O)O)O	TGK	1-deoxy-beta-l-tagatopyranose
+CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	TGL	tristearoylglycerol
+c1ccc(c(c1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O	TGM	4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
+C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O[P@](=O)(c3ccccc3)O)C(=O)OC	TGN	3-(hydroxy-phenyl-phosphinoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CSP(=O)(O)O)O)N=C(NC2=O)N	TGP	5'-thio-2'-deoxy-guanosine phosphonic acid
+CN(C[C@H]1CNC2=C(N1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	TGQ	(2~{s})-2-[[4-[[(6~{r})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
+C[C@@H]([C@]1([C@H]([C@@H](CO1)O)O)O)O	TGR	1-deoxy-alpha-d-xylo-hex-3-ulofuranose
+C[C@@H](C(=O)[C@H]([C@@H](CO)O)O)O	TGS	1-deoxy-d-xylo-hex-3-ulose
+CC(=O)O[C@@H]1[C@@H]([C@H]([C@]2(CS[C@]([C@@H]1O2)(C(=O)N)O)C(=O)O)OP(=O)(O)O)N	TGT	tagetitoxin
+[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O)O)O	TGU	trigalacturonic acid
+c1ccc(cc1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O	TGV	4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid
+CN1c2c(cccn2)C(=O)N[C@H]1c3ccc(cc3Cl)Cl	TGW	(2r)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
+Cc1ccc2c(c1)SCC(=O)N2	TGX	7-methyl-2h-1,4-benzothiazin-3(4h)-one
+C[C@]1([C@H]([C@H]([C@@H](CO1)O)O)O)O	TGY	1-deoxy-alpha-d-tagatopyranose
+c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CO)O	TGZ	(2~{s},3~{r},4~{s},5~{r},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
+[Th+4]	TH	thorium ion
+c1cc(c(cc1O)O)S	TH0	4-mercaptobenzene-1,3-diol
+Cc1ccc2c(c1)nc(s2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	TH1	(1r)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-d-glucitol
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@]34C	TH2	testosterone hemisuccinate
+CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	TH3	trans delta2 palmitenoyl-coenzymea
+c1cc(ncc1CN\2CCS/C2=N\C#N)Cl	TH4	{(2z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
+C[C@H]([C@@H](C(=O)O)N)OC(=O)C	TH5	o-acetyl-l-threonine
+C([C@H]([C@@H](C(=O)O)N)O)O	TH6	4-hydroxy-l-threonine
+c1cc(c(cc1O)O)SO	TH7	2,4-dihydroxybenzenesulfenic acid
+CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O	TH8	thiamphenicol
+CCCCCCOc1cccc(c1)CCCNC(=O)/C=C(/C(=O)O)\O	TH9	(2z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid
+c1ccc2c(c1)c(c3c(n2)CCCC3)N	THA	tacrine
+C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O	THB	tetrahydrobiopterin
+C[C@H]([C@@H](C(=O)O)NC(=O)C)O	THC	n-methylcarbonylthreonine
+Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\CO)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C	THD	2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1,2-dihydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl trihydrogen diphosphate
+C([C@H]([C@@H](C(=O)[O-])O)O)O	THE	threonate ion
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2C=NC3=C([N@@]2CO)C(=O)N=C(N3)N	THF	5-hydroxymethylene-6-hydrofolic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N	THG	(6s)-5,6,7,8-tetrahydrofolate
+CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	THH	n-[4-({[(6s)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+c1ccc(cc1)[C@]23c4ccccc4C(=O)N2CCS3	THI	thiazolo-3-phenylisoindol-1-one
+[O-]S(=O)(=O)[S-]	THJ	thiosulfate
+c1cc(ccc1C2(SCCS2)CCCN3CCC(CC3)(c4ccc(cc4)Cl)O)F	THK	4-(4-chloro-phenyl)-1-{3-[2-(4-fluoro-phenyl)-[1,3]dithiolan-2-yl]-propyl}-piperidin-4-ol
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)N=C(N3)N	THL	n-[4-({[(6s)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O	THM	thymidine
+C=C1CSC(=NC1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2cccs2	THN	2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methylene-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+C[C@H]([C@@H](CO)N)O	THO	reduced threonine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O	THP	thymidine-3',5'-diphosphate
+Cc1c(scn1)CCOP(=O)(O)O	THQ	phosphoric acid mono-[2-(4-methyl-thiazol-5-yl)-ethyl] ester
+C[C@H]([C@@H](C(=O)O)N)O	THR	threonine
+C[C@H]([C@@H](C(=O)[O-])[NH-])O	THR_LEO2	l-threonine c-terminal deprotonated fragment
+C[C@H]([C@@H](C(=O)O)[NH-])O	THR_LEO2H	l-threonine c-terminal protonated fragment
+C[C@H]([C@@H](C(=O)O)[NH-])[O-]	THR_LEO2H_DHG1	l-threonine-c-terminal protonated fragment/with side chain deprotonated og1
+C[C@H]([C@@H](C(=O)[O-])[NH-])[O-]	THR_LEO2_DHG1	l-threonine-c-terminal deprotonated fragment/with side chain deprotonated og1
+C[C@H]([C@@H](C(=O)O)N)O	THR_LFOH	l-threonine free neutral
+C[C@H]([C@@H](C(=O)O)N)[O-]	THR_LFOH_DHG1	l-threonine-free neutral/with side chain deprotonated og1
+C[C@H]([C@@H](C(=O)[O-])[NH3+])O	THR_LFZW	l-threonine free zwitterion
+C[C@H]([C@@H](C(=O)[O-])[NH3+])[O-]	THR_LFZW_DHG1	l-threonine-free zwitterion/with side chain deprotonated og1
+C[C@H]([C@@H]([C-]=O)[NH-])O	THR_LL	l-threonine - linking embedded fragment
+C[C@H]([C@@H]([C-]=O)[NH-])[O-]	THR_LL_DHG1	l-threonine-linking embedded fragment/with side chain deprotonated og1
+C[C@H]([C@@H]([C-]=O)[NH3+])O	THR_LSN3	l-threonine n-terminal protonated fragment
+C[C@H]([C@@H]([C-]=O)[NH3+])[O-]	THR_LSN3_DHG1	l-threonine-n-terminal protonated fragment/with side chain deprotonated og1
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(S)S)O	THS	thymidine-5'-(dithio)phosphate
+CCCCCCCCCCCCCCCC(=O)SCCNC(=O)C	THT	trans-2-hexadecenoyl-(n-acetyl-cysteamine)-thioester
+C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O	THU	tetrahydrodeoxyuridine
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](C(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O	THV	c2-1-hydroxy-3-methyl-propyl-thiamin diphosphate
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](c3ccccc3)O)CCO[P@](=O)(O)OP(=O)(O)O	THW	c2-1-hydroxyphenyl-thiamin diphosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)OCCCCCCNC(=O)c3cc4c([nH]3)ccc5c4CCN5C(=O)c6cc7c([nH]6)ccc8c7CCN8C(=O)c9cc1c([nH]9)ccc2c1CCN2C(=O)N)O	THX	phosphonic acid 6-({6-[6-(6-carbamoyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonyl)-3,6,7,8-tetrahydro-3,6-diaza-as-indocene-2-ca rbonyl]-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonl}-amino)-hexyl ester 5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester
+CC[C@H](C)[C-](c1[n+](c(c(s1)CCO[P@](=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O	THY	c2-1-hydroxy-2-methyl-butyl-thiamin diphosphate
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nc2ccccc2s1)N	THZ	1-[(4s)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine
+CCCCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)S	TI1	[2(r,s)-2-sulfanylheptanoyl]-phe-ala
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@H](Cc3ccccc3)S	TI2	(2-sulfanyl-3-phenylpropanoyl)-phe-tyr
+c1ccc(cc1)C[C@@H](C(=O)NCC(=O)N2[C@H](CC[C@H]2C(=O)O)c3ccccc3)S	TI3	[(2s)-2-sulfanyl-3-phenylpropanoyl]-gly-(5-phenylproline)
+c1cc(cnc1)[C@H]2C3C[C@H]4C[C@@H](C3)CN2C4	TI4	(2r,3s,5r,7s)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane
+Cc1ccccc1c2cccc(c2)C(=O)O	TI7	3-(2-methylphenyl)benzoic acid
+C=CC(=O)OCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCc4ccc(cc4)Cl)O)O	TI8	3-[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate
+c1cc(cnc1)C#C[C@@H]2CCCN2	TI9	3-[(2s)-pyrrolidin-2-ylethynyl]pyridine
+C[C@@H]1[C@H]([C@H]([C@@H](O1)c2nc(cs2)C(=O)N)O)O	TIA	2-(1,5-dideoxyribose)-4-amido-thiazole
+C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)C[N@]1CC=C(C)C	TIB	4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione
+c1ccc(c(c1)C[N@]2CCc3c(ccs3)C2)Cl	TIC	ticlopidine
+c1cc(ccc1c2nnc(s2)N)C(=O)O	TID	4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NS(=O)(=O)Cc3ccccc3)\N	TIF	n-(benzylsulfonyl)-d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NCCN	TIG	n-(2-aminoethyl)-l-tryptophan
+c1cc(sc1)C[C@@H](C(=O)O)N	TIH	beta(2-thienyl)alanine
+CC(C)Oc1cc(cnc1)N2CC[C@@]3(C2)CCCN3C	TII	(5r)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane
+c1ccc2c(c1)C=[N]3c4ccc(cc4O[Cr+]3O2)CCC(=O)O	TIL	[2-[5-carboxyethyl-2-phenolato(nitrilomethylidyne)][phenolato]]chromium(iii)
+CC(C)(C)NC[C@@H](COc1c(nsn1)N2CCOCC2)O	TIM	(2s)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
+CCCC[N@@](CCC1CCCCC1)Cc2ccc(c(c2)c3ccccc3C)C(=O)N[C@@H](CCSC)C(=O)O	TIN	2-{(5-{[butyl-(2-cyclohexyl-ethyl)-amino]-methyl}-2'-methyl-biphenyl-2-carbonyl)-amino]-4-methylsulfanyl-butyric acid
+c1ccc(cc1)C[C@H](CS)C(=O)NCC(=O)O	TIO	(2-mercaptomethyl-3-phenyl-propionyl)-glycine
+CCCSc1nc(c2c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4c5ccc(c(c5)F)F	TIQ	ticagrelor
+C[C@H]1[C@H]2[C@H](C=C([C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=C\C(=C\3/C(=O)CNC3=O)\O)C)C)O	TIR	tirandamycin e
+CC(O)(O)OC[C@@H](C(=O)O)N	TIS	o-(1,1-dihydroxyethyl)-l-serine
+CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)C[C@@H]([C@H](COCc1ccc(cc1)Br)NC(=O)[C@H](C(C)C)NC(=O)c2ccccn2)O	TIT	n-((3s,4s)-5-[(4-bromobenzyl)oxy]-3-hydroxy-4-{[n-(pyridin-2-ylcarbonyl)-l-valyl]amino}pentanoyl)-l-alanyl-l-leucinamide
+C(=O)(N)NC(=O)NC(=O)N	TIU	tricarbonodiimidic diamide
+c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)c4cn5c6c4cccc6CCC5	TIV	(3r,4r)-3-(5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1h-indol-3-yl)pyrrolidine-2,5-dione
+c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O	TIY	2,3,4,6-tetrahydroxy-5h-benzo[7]annulen-5-one
+c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	TIZ	(1r)-1-[4-(aminocarbonyl)-1,3-thiazol-2-yl]-1,4-anhydro-d-ribitol
+CC(C)C1=NOC(=O)N1	TJ1	3-(propan-2-yl)-1,2,4-oxadiazol-5(4h)-one
+CC(C)(C)NC(=O)[C@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)Cl)C=O	TJ2	3-{(1s)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1h-indole-2-carboxylic acid
+Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl)C	TJ3	5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one
+CC1=C(NC(=O)N=C1C)C(=O)O	TJ4	5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
+c1ccc(cc1)c2ccc(cc2)C(=O)O[C@H]3C[C@H](NC3)C(=O)O	TJ5	(2~{s},4~{s})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@](C=O)(NC(=O)[C@@H](c2ccsc2)C(=O)O)OC)C(=O)O)C	TJ7	(2r,4s)-2-[(1s)-1-{[(2r)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid
+c1ccc(cc1)c2nccn2c3ccc(c(c3)Br)C=O	TJ8	2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
+c1ccc(cc1)c2nccn2c3ccc(c(c3)Cl)C=O	TJB	2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde
+COC(=O)C1=NC(=O)Nc2c1cccc2	TJD	methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate
+C[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C)P(=O)(C[C@@H](CCc2ccccc2)C(=O)O)O	TJE	(2s)-2-{[(s)-{(1r)-1-[(n-acetyl-l-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)C(=O)N4CCOCC4)C#N	TJF	4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile
+CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(nc3nc2)C4CC4)O	TJG	7-cyclopropyl-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
+c1cc2c(c(c1)O)C(=O)C=C(C2=O)NCCNc3c4ccc(cc4nc5c3CCCC5)Cl	TJH	2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione
+C1=C(NC(=O)N=C1)C(=O)O	TJJ	2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
+c1cc(c(cc1n2ccnc2c3cc(ccc3F)Br)Br)C=O	TJK	2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde
+Cc1cc(c(s1)C)c2cc(n[nH]2)C(=O)N	TJM	5-(2,5-dimethyl-3-thienyl)-1h-pyrazole-3-carboxamide
+COC(=O)C1=CC=NC(=O)N1	TJP	methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate
+C1CCC2=C(C1)C(=NC(=O)N2)C(=O)O	TJS	2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid
+c1cc2c(cc1C(=S)N)OCO2	TJV	1,3-benzodioxole-5-carbothioamide
+CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5	TJW	5-amino-n-(4-(((2s)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1h-pyrazole-4-carboxamide
+c1ccc2c(c1)C(=NC(=O)N2)C(=O)O	TJY	2-oxo-1,2-dihydroquinazoline-4-carboxylic acid
+CS(=O)(=O)N1CCC[C@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNc4c5cnn(c5ncn4)c6ccccc6	TJZ	~{n}-[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzamide
+CS(=O)(=O)c1ccc(cc1)Oc2cc3c(cc2CN4C(=O)CCC4=O)[nH]c(n3)c5ccccn5	TK1	1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1h-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione
+Cc1c(cccc1c2ccccc2)COc3ccc4nc(c(n4c3)NCCc5ccccc5)CN	TK2	2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{n}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
+C[C@H](CC#C[C@@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	TK3	(1r,3r,7e,17beta)-17-{(2r,6r)-6-hydroxy-7-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CC(=O)Nc1ccc2c(c1S(=O)(=O)O)cccc2S(=O)(=O)O	TK4	2-acetylamino-napthalene-1,5-disulfonic acid
+CS(=O)(=O)N1CCC[C@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5	TK5	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	TK7	diethyl [(4-{(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+C([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O	TK8	d-xylonic acid
+CC[C@H](Cc1ccc(cc1)C(=O)NCc2ccc(cc2C(F)(F)F)OC)C(=O)O	TK9	(2~{r})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
+C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	TKA	(1r,3r,7e,17beta)-17-{(2r,6s)-6-hydroxy-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+Cn1c(c(cn1)C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC3CCCCC3)C(=O)N[C@@H]4CCCN(C4)S(=O)(=O)C)N	TKB	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide
+C[C@H](CC#C[C@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	TKD	(1r,3r,7e,17beta)-17-{(2r,6s)-6-hydroxy-7-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+c1cc(ccc1CCNC(=S)Nc2ccc(cc2)I)S(=O)(=O)N	TKE	1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
+CC(=O)c1cnc2c(n1)C(=O)NC(=N2)NC(=O)C	TKG	1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone
+c1cc(c(cc1n2ccnc2c3ccc(cc3F)F)Br)C=O	TKH	[4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol
+c1ccc(cc1)COc2ccc(cc2)[C@@]3(CCN(C3)C(=O)C4CCS(=O)(=O)CC4)S(=O)(=O)c5ccc(cc5)F	TKJ	4-{(3r)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione
+c1ccc(c(c1)c2nccn2c3ccc(c(c3)Br)C=O)Br	TKK	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
+CC(C)C[C@@H](C(=O)O)n1cc(nn1)[C@H](CCCCN)N	TKL	(2s)-2-{4-[(1s)-1,5-diaminopentyl]-1h-1,2,3-triazol-1-yl}-4-methylpentanoic acid
+COc1cccc(c1C(=O)OC)CCCCC/C=C/CNc2c3ccccc3nc4c2CCCC4	TKN	methyl 2-methoxy-6-[(~{e})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate
+CC(C)(COC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)c3cccc(c3)Cl	TKP	2-(3-chlorophenyl)-2-methylpropyl [(2s)-3-cyclohexyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+c1cc(ccc1CCNC(=O)Nc2ccc(cc2)I)S(=O)(=O)N	TKQ	1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
+CC(C)(COC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S)c3cccc(c3)Cl	TKS	2-(3-chlorophenyl)-2-methylpropyl [(2s)-3-cyclohexyl-1-({(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccc4	TKT	(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1h-indole-3-carboxylate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S)NC(=O)OCC(C)(C)c2cccc(c2)Cl	TKV	n~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-n-{(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-l-leucinamide
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)O	TKW	5-hydroxycytidine 5'-(dihydrogen phosphate)
+C[C@@H](C(=O)N[C@H](C(=O)N1Cc2cc(ccc2C[C@H]1C(=O)N[C@@H]3CCCc4c3cccc4)OCCOCCOCCOCCOCCOC(=O)N5CCC[C@H](C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(cc8F)F)C(=O)N)N)C(C)(C)C)NC	TKY	14-{[(3s)-2-(n-methyl-l-alanyl-3-methyl-l-valyl)-3-{[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3r)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazol-1-yl}piperidine-1-carboxylate
+COC(=O)CCN1CCCc2c1ccc(c2)c3ccc(s3)/C=C(\C#N)/C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	TKZ	(((s)-1-carboxy-5-((e)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-l-glutamic acid
+[Tl+]	TL	thallium (i) ion
+c1cc(cc(c1)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3Oc4cccc(c4)C(=N)N)C(=N)N	TL1	2,5-bis-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol
+[H]/N=C(\c1ccc(cc1)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4cccc(c4)C(=N)N)/N	TL2	2-o-{4-[amino(imino)methyl]phenyl}-5-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol
+c1cc(ccc1C(=N)N)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N	TL3	2,5-bis-o-{4-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol
+c1cc(cc(c1)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N)C(=N)N	TL4	2-o-{3-[amino(imino)methyl]phenyl}-5-o-{4-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol
+C\C=C\C(=C\[C@@]1(C(=C(C(=O)S1)C)O)C)\C	TL5	(5r)-4-hydroxy-3,5-dimethyl-5-[(1e,3e)-2-methylpenta-1,3-dienyl]thiophen-2(5h)-one
+CC1=C([C@@](SC1=O)(C)\C=C\C=C)O	TL6	(5r)-5-[(1e)-buta-1,3-dienyl]-4-hydroxy-3,5-dimethylthiophen-2(5h)-one
+C[C@@H](C(=O)N[C@H](C(=O)N1Cc2cc(ccc2C[C@H]1C(=O)N[C@@H]3CCCc4c3cccc4)OCc5cnc(cn5)COC(=O)N6CCC[C@H](C6)n7c(c(c(n7)c8ccc(cc8)Oc9ccc(cc9F)F)C(=O)N)N)C(C)(C)C)NC	TL7	[5-({[(3s)-2-(n-methyl-l-alanyl-3-methyl-l-valyl)-3-{[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3r)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazol-1-yl}piperidine-1-carboxylate
+COc1cc(ccc1C=O)n2ccnc2c3ccccc3	TL8	2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde
+[C@@H]([C@H](C(=O)O)O)(C(=O)O)O	TLA	l(+)-tartaric acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@@](CO3)([C@H](O2)COP(=O)(O)O)O	TLB	2'-o,3'-c-methylene-arabinofuranosyl-thymine-5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@@](CCO3)([C@H](O2)COP(=O)(O)O)O	TLC	2-o,3-ethdiyl-arabinofuranosyl-thymine-5'-monophosphate
+Cc1ccc(c(c1)S)S	TLD	4-methylbenzene-1,2-dithiol
+CCC1=C([C@@](SC1=O)(C)/C=C(\C)/C=C)O	TLE	(5r)-3-ethyl-4-hydroxy-5-methyl-5-[(1e)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5h)-one
+Cc1c(cccc1Cl)Nc2ccccc2C(=O)O	TLF	2-[(3-chloro-2-methylphenyl)amino]benzoic acid
+C/C(=C/[C@@]1(C(=C(C(=O)S1)C(=O)C)O)C)/C=C	TLG	(5r)-3-acetyl-4-hydroxy-5-methyl-5-[(1z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5h)-one
+C/C(=C\[C@@]1(C(=C(C(=O)S1)C(=O)C(F)(F)F)O)C)/C=C	TLH	(5r)-5-methyl-5-[(1e)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one
+CCCC1=C([C@@](SC1=O)(C)/C=C(\C)/C=C)O	TLJ	(5r)-4-hydroxy-5-methyl-5-[(1e)-2-methylbuta-1,3-dien-1-yl]-3-propylthiophen-2(5h)-one
+COc1cc(ccc1n2ccnc2c3ccccc3)C=O	TLK	3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde
+CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O	TLL	n-[4-({[(6s)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-gamma-glutamyl-l-glutamic acid
+CC1=C([C@@](SC1=O)(C)\C=C(/C)\C=C)O	TLM	thiolactomycin
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O	TLN	[(1r,3r,4r,7s)-7-hydroxy-3-(thymin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O	TLO	5'-o-[(s)-hydroxy{[(s)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O	TLP	3-hydroxy-2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-butyric acid
+c1ccc(cc1)c2nccn2c3ccc(c4c3cccc4)C=O	TLQ	4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde
+CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C)C	TLS	4'-[(1,7'-dimethyl-2'-propyl-1h,3'h-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid
+Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O	TLT	tolmetin
+c1c(cc(c(c1Cl)Oc2cc(c(c(c2)Cl)O)Cl)Cl)C[C@@H](C(=O)O)N	TLV	(2~{s})-2-azanyl-3-[4-[3,5-bis(chloranyl)-4-oxidanyl-phenoxy]-3,5-bis(chloranyl)phenyl]propanoic acid
+C1[C@H]([C@H]([C@H](O[C@H]1C(=O)O)[C@@H](CO)O)O)O	TLW	(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+CC(C)C[C@@H](C[N@@]1CCC[N@]2[C@H]1CCC2)N	TLX	n1-(2-amino-4-methylpentyl)octahydro-pyrrolo[1,2-a] pyrimidine
+CC(=S)NCCCC[C@@H](C(=O)O)N	TLY	(2s)-2-azanyl-6-(ethanethioylamino)hexanoic acid
+C([C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O	TLZ	d-altritol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)OC5(O4)C(=CC(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N	TM1	2',3'-o-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate)
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CNCCS(=O)(=O)O	TM2	5-{[(2-sulfoethyl)amino]methyl}uridine 5'-(dihydrogen phosphate)
+Cc1ccc(c(c1)NCc2ccc3c(c2)n(c(n3)NCCCN4CCOCC4)Cc5c(ccc(n5)C)O)CCCO	TM3	2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1h-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol
+CC1=C(C(=S)C=CO1)O	TM4	3-hydroxy-2-methyl-4h-pyran-4-thione
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)S)CO)CO)CO)CO)O)O)O)O	TM5	thio-maltopentaose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)S[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O	TM6	thio-maltohexaose
+CC1=CC(=S)C(=CO1)O	TM7	5-hydroxy-2-methyl-4h-pyran-4-thione
+c1ccc(cc1)C[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4	TM8	nalpha-[(benzyloxy)carbonyl]-n-[(2s)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-l-phenylalaninamide
+[C@H]1([C@@H]([C@H]([C@@H](O[C@H]1O)C(O)O)O)O)N	TM9	(2r,3r,4s,5r,6r)-3-azanyl-6-[bis(oxidanyl)methyl]oxane-2,4,5-triol
+C[N+](C)(C)C	TMA	tetramethylammonium ion
+C\C=C\C[C@@H](C)[C@H]([C@@H](C(=O)O)N(C)C)O	TMB	n-methyl-4-[(e)-2-butenyl]-4,n-dimethyl-threonine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@]3([C@@H]2C3)CO)O	TMC	1-[4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+CCCC[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O	TMD	(6,7-dihydro)4-[(e)-butenyl]-4,n-dimethyl-threonine
+CCC	TME	propane
+c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)[N@@]2C[C@H]3C=NC4=C([N@]3C2)C(=O)N=C(N4)N	TMF	5,10-methylene-6-hydrofolic acid
+c1ccc2c(c1)[nH]c(n2)c3cscn3	TMG	2-(1,3-thiazol-4-yl)-1h-benzimidazole
+CC1=CC[C@@H]2C[C@H]1C2(C)C	TMH	(+)-alpha-pinene
+c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4	TMI	1-[phenyl-(4-phenylphenyl)-methyl]imidazole
+c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNCC3)Cl	TMJ	n-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
+[CH3].[CH3].[CH3]	TML	methyl part of n-trimethyllysine
+c1c(cc(cc1C(=O)O)C(=O)O)C(=O)O	TMM	1,3,5-benzenetricarboxylic acid
+C(C(CO)(CO)N)O	TMN	tris(hydroxymethyl)aminomethane
+C[N+](C)(C)[O-]	TMO	trimethylamine oxide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	TMP	thymidine-5'-phosphate
+Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC	TMQ	trimetrexate
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)SC	TMR	2,6-dideoxy-4-s-methyl-4-thio-beta-d-ribo-hexopyranose
+COc1cc(cc(c1OC)OC)\C=C\c2ccc(cc2)C(=O)NCCCO	TMS	n-propyl-4-[(e)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-benzamide
+Cc1csc([n+]1C)C	TMT	2,3,4-trimethyl-1,3-thiazole
+COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-]	TMU	n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O[V](O)(O)(O)O	TMV	thiamine-phosphovanadate
+C[N+](C)(C)[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	TMX	2-deoxy-2-(trimethylammonio)-beta-d-glucopyranose
+CCCCCCCC(=O)c1cc(c(c(c1CC(=O)OCC)OC)OC)OC	TMY	ethyl (2,3,4-trimethoxy-6-octanoylphenyl)acetate
+Cc1c(sc[n+]1C)C	TMZ	3,4,5-trimethyl-1,3-thiazole
+c1cc2c(c(c1)O)CCCC2	TN1	5,6,7,8-tetrahydronaphthalen-1-ol
+c1cc(c(cc1[N+](=O)[O-])Cl)Oc2ccc(cc2O)Cl	TN2	5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
+CNC(=O)c1ccc(c(c1)Cl)Oc2ccc(cc2O)Cl	TN3	3-chloro-4-(4-chloro-2-hydroxyphenoxy)-n-methylbenzamide
+CC(=CC[C@@H]1C(O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)NC(=O)CCl)OC)C	TN4	(1r,2s,3s,4r)-4-hydroxy-2-methoxy-4-methyl-3-[(2r,3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate
+c1cc(c(cc1N)Cl)Oc2ccc(cc2O)Cl	TN5	2-(4-amino-2-chlorophenoxy)-5-chlorophenol
+CCN(CC)P(=O)(O)O	TN6	diethylphosphoramidic acid
+CCN[P@](=O)(O)OCC	TN7	ethyl hydrogen ethylamidophosphate
+c1cc(ccc1CCN/C(=N/c2ccc(cc2)I)/[SeH])S(=O)(=O)N	TN8	~{n}'-(4-iodophenyl)-~{n}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid
+C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N	TNA	n-[(3s)-3-{[(3s)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-l-glutamic acid
+c1c(cc(c(c1[N+](=O)[O-])SC[C@@H](C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-]	TNB	s-(2,3,6-trinitrophenyl)cysteine
+CN(C)[C@H]1[C@@H]2Cc3cc4cccc(c4c(c3C(=C2C(=C(C1=O)C(=O)N)O)O)O)O	TNC	4-dimethylamino-1,10,11,12-tetrahydroxy-3-oxo-3,4,4a,5-tetrahydro-naphthacene-2-carboxylic acid amide
+COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4N[C@@H]5CCCc6c5cccc6)CO)O	TND	n-1,2,3,4-tetrahydronaphth-1-yl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine
+CN1[C@H]2CC[C@@H]1CC(=O)C2	TNE	8-methyl-8-azabicyclo[3,2,1]octan-3-one
+c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]	TNF	picric acid
+C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]	TNG	propane-1,2,3-triyl trinitrate
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCNC(=O)c4cccnc4	TNH	n-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide
+Cc1c2c(cc(c1N3C[C@H]4C[C@]4(C3)N)F)C(=C(C(=O)N2C5CC5)F)CN	TNJ	7-[(1s,5r)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1h)-one
+CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3	TNK	6-benzyl-1-benzyloxymethyl-5-isopropyl uracil
+Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	TNL	2,4,6-trinitrotoluene
+C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)OP(=O)(O)O	TNM	[(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxy-phosphinic acid
+C[C@H]([C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)OC)C5=O)O)O)O	TNN	(1as,11s,11ar,14z,18r)-3,8,18-trihydroxy-11a-[(1r)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4h-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10h)-dione
+Cc1cc2c(c(c3cc(c[n+](c3c2nc1)C)C)C)C	TNP	3,5,6,8-tetramethyl-n-methyl phenanthrolinium
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NCC(=O)O	TNQ	6-[(carboxymethyl)amino]-7-hydroxy-l-tryptophan
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)N)CO)O)O	TNR	o-(2-acetamido-2-deoxy-alpha-d-galactopyranosyl)-l-serine
+CN(CCCCC(=O)O)c1ccc(cc1)\C=C\c2ccc(cc2)[N+](=O)[O-]	TNS	n-(trans-4'-nitro-4-stilbenyl)-n-methyl-5-amino-pentanoic acid
+c1cc(ccc1C(=N)N)OCCCOc2ccc(cc2)C(=N)N	TNT	1,3-bis(amidinophenoxy)propane
+C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	TNV	[2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl-triphosphate
+Cc1cccc(c1)N2c3cc(ccc3C(=NC2=O)N(C)C)Cl	TNW	7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
+CC(=S)NC1=CO[C@@H]([C@H]([C@@H]1O)O)CO	TNX	1,5-anhydro-2-deoxy-2-(ethanethioylamino)-d-arabino-hex-1-enitol
+C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C	TNY	(2s,3r)-3-{[(2s,3r,4r,5r,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}-2-aminobutanoic acid (non-preferred name)
+COc1nc2ccc(cc2c(n1)c3ccccc3)Cl	TNZ	6-chloranyl-2-methoxy-4-phenyl-quinazoline
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N	TO1	4-amino-7-(beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+COc1ccccc1O[C@@H](CO)[C@@H](c2ccc(c(c2)OC)OC)O	TO2	(1r,2s)-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
+c1cc(cnc1)CN(Cc2ccc(cc2)C(=O)NO)S(=O)(=O)c3cc(c(c(c3F)F)F)F	TO3	n-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide
+CC(C)O[P@](=O)(CCCCCCCCCCC=C)F	TO4	propan-2-yl (r)-dodec-11-en-1-ylphosphonofluoridate
+CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3cccnc3	TO5	7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one
+c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@H]3C[C@@H]4CC[C@H]3C4)N)[N+](=O)[O-]	TO7	(4-amino-2-{[(1s,2s,4r)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
+CN(C)C1=NC(=O)Nc2c1ccc(c2)Cl	TO8	7-chloranyl-4-(dimethylamino)-1~{h}-quinazolin-2-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O	TOA	3-ammonio-3-deoxy-alpha-d-glucopyranose
+C1[C@@H](C[C@@H]([C@H]([C@@H]1[NH3+])O)O)[NH3+]	TOB	1,3-diamino-5,6-dihydroxycyclohexane
+C1[C@H]([C@H](O[C@@H]([C@H]1O)C[NH3+])O)[NH3+]	TOC	2,6-diammonio-2,3,6-trideoxy-alpha-d-glucopyranose
+CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](c1ccccc1)C(=O)O	TOD	(2s)-({(2r)-2-[(1s)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid
+COCCOCCOCCO	TOE	2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxyl
+CN1C2=NC(=O)N(C(=O)C2=NC=N1)C	TOF	1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1h,6h)-dione
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TOG	4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3 -ium-2-yl]-4-oxidanyl-butanoic acid
+c1ccc(c(c1)C=CC(=O)C(=O)O)O	TOH	(3e)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid
+[H]/N=C/1\C(=CNC(=N1)C)C[n+]2c(c(sc2[C@](CCC(=O)O)([C@H]3C=C[C@@H]([C@H]([C@@H]3C(=O)O)O)OC(=C)C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O)C	TOI	(1~{r},2~{s},5~{s},6~{s})-2-[(1~{s})-1-[3-[(4-azanylidene-2-methyl-1~{h}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid
+c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@@H]3C[C@H]4CC[C@@H]3C4)N)[N+](=O)[O-]	TOJ	(4-amino-2-{[(1r,2r,4s)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
+C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4n5cnc6c5cccc6)C)O	TOK	(3alpha,8alpha)-17-(1h-benzimidazol-1-yl)androsta-5,16-dien-3-ol
+CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC	TOL	tolrestat
+COc1ccccc1C=CC(=O)C(=O)O	TOM	4-(2-methoxyphenyl)-2-oxobut-3-enoic acid
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCO	TON	2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanol
+COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N	TOP	trimethoprim
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)O	TOQ	6,7-dihydroxy-l-tryptophan
+CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C	TOR	[(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
+Cc1ccc(cc1)[S@@](=O)O	TOS	p-sulfinotoluene
+CN1/C(=C/c2c3c([n+](cc2)CCC[N+](CCC[N+](CCC[n+]4c5c(c(cc4)/C=C/6\Sc7c(cccc7)N6C)cccc5)(C)C)(C)C)cccc3)/Sc8c1cccc8	TOT	1,1-(4,4,8,8-tetramethyl-4,8-diazaundecamethylene)-bis-4-3-methyl-2,3-dihydro-(benzo-1,3-thiazole)-2-methylidene)-quinolinium
+C(=S)(N)N	TOU	thiourea
+CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4cc(ccc4F)O	TOV	n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide
+CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)CCO	TOW	7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
+c1ccc2c(c1)c(cn2OO)C[C@@H](C(=O)O)N	TOX	1-hydroperoxy-l-tryptophan
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N	TOY	tobramycin
+c1c(nc(o1)c2csc(n2)CN)C(=O)O	TOZ	2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid
+CN(C)CCC=C1c2ccccc2CCc3c1cccc3	TP0	amitriptyline
+CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC)CC(=O)O	TP1	2-(methylamino)-ethylglycine-carbonylmethylene-thymine
+Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCS	TP2	n-[tosyl-d-prolinyl]amino-ethanethiol
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O	TP3	4-[[glutamic acid]-carbonyl]-benzene-sulfonyl-d-proline
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCC(=O)O	TP4	n-[4-[[glutamic acid]-carbonyl]-benzene-sulfonyl-d-prolinyl]-3-amino-propanoic acid
+[H]/N=C(\c1ccsc1)/N	TP5	thiophene-3-carboximidamide
+C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CCOP(=O)(O)O	TP6	3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) 1-phosphate
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O	TP7	coenzyme b
+[H]/N=C/1\[C@H](C=NC(=N1)C)C[n+]2c(c(sc2/C(=C/CO[P@](=O)(O)[O-])/O)CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])C	TP8	5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1z)-1-hydroxy-3-(phosphonooxy)prop-1-en-1-yl]-3-{[(4z)-4-imino-2- methyl-4,5-dihydropyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium
+Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])\S)/C	TP9	(3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate
+c1ccc(cc1)[C@H]2C[C@@H]2[NH3+]	TPA	trans-2-phenylcyclopropylamine
+Cc1cc(c(c(c1)C)Nc2ccnc(n2)Nc3ccc(cc3)C#N)C	TPB	4-[4-(2,4,6-trimethyl-phenylamino)-pyrimidin-2-ylamino]-benzonitrile
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CSP(=O)(O)O)O	TPC	5'-thio-2'-deoxy-cytosine phosphonic acid
+c1cc(sc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N	TPD	n-(2-thienylmethyl)-2,5-thiophenedisulfonamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)OC(=O)C	TPE	3'-o-acetylthymidine-(5' diphosphate phenyl ester)
+c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O	TPF	2-(2,4-difluorophenyl)-1,3-di(1h-1,2,4-triazol-1-yl)propan-2-ol
+CN1CN(C2=C1C(=O)NC(=N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O	TPG	2,2,7-trimethyl-guanosine-5'-triphosphate-5'-guanosine
+c1ccc(cc1)C[C@@H](C(O)O)N	TPH	2-amino-3-phenyl-propane-1,1-diol group
+c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	TPI	4-carbamoyl-4-{[6-(difluoro-phosphono-methyl)-naphthalene-2-carbonyl]-amino}-butyric acid
+CC(C)(C)[C@H]1CC[C@H](N1)C(=O)O	TPJ	(5r)-5-tert-butyl-l-proline
+C1C[C@H](NC1)[C@H](CO)O	TPK	(1r)-1-[(2s)-pyrrolidin-2-yl]ethane-1,2-diol
+c1ccc2c(c1)c(c[nH]2)C[C@@H](CO)N	TPL	tryptophanol
+c1cc(ccc1CNC2=[NH+]CCCC2)N	TPM	2-(4-aminobenzylamino)-3,4,5,6-tetrahydropyridinium
+CC1=CN(C(=O)NC1=O)CC(=O)N(CC[NH3+])CC(=O)O	TPN	2-aminoethylglycine-carbonylmethylene-thymine
+C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O	TPO	phosphothreonine
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O	TPP	thiamine diphosphate
+C1=C(C(=O)C=C(C1=O)O)C[C@@H](C(=O)O)N	TPQ	5-(2-carboxy-2-aminoethyl)-2-hydroxy-1,4-benzoquinone
+Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O	TPR	tosyl-d-proline
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O	TPS	thiamin phosphate
+C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Pt+]2([N]5=C4C=CC=C5)Cl	TPT	2,2':6',2''-terpyridine platinum(ii) chloride
+Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O	TPU	2-{1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-methyl-1h-1,2,3-triazol-4-yl}ethyl trihydrogen diphosphate
+CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4	TPV	n-(3-{(1r)-1-[(6r)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2h-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)-2-pyridinesulfonamide
+Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C	TPW	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate
+CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc(cc1)C)C(=O)O	TPX	(2s,3s)-3-formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic acid
+CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)O	TPY	(2s,3s)-3-formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCS)OP(=O)(O)O	TPZ	o-phosphono-n-(5-sulfanylpentanoyl)-l-threonine
+c1cc([nH]c1)c2ccc3c(c2)N4C(=NNC4=O)C=C3CO	TQ1	5-(hydroxymethyl)-8-(1h-pyrrol-2-yl)-2h-[1,2,4]triazolo[4,3-a]quinolin-1-one
+Cc1ccc(cc1C)c2c3ccccc3nc(c2[C@@H](C(=O)O)OC(C)(C)C)C	TQ2	(2s)-tert-butoxy[4-(3,4-dimethylphenyl)-2-methylquinolin-3-yl]ethanoic acid
+c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N	TQ3	5-phenylsulfanyl-2,4-quinazolinediamine
+Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N	TQ4	5-[(4-methylphenyl)sulfanyl]-2,4-quinazolinediamine
+CC(C)(C)c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N	TQ5	5-[4-tert-butylphenylsulfanyl]-2,4-quinazolinediamine
+c1cc2c(c(c1)Sc3ccc(cc3)N4CCOCC4)c(nc(n2)N)N	TQ6	5-(4-morpholin-4-yl-phenylsulfanyl)-2,4-quinazolinediamine
+CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccc(s3)Br	TQ7	5-bromo-n-(diphenylmethyl)-n-methylthiophene-2-carboxamide
+Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl	TQ8	n-[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide
+C(CC(=O)O)C(=O)CCl	TQ9	5-chloro-4-oxopentanoic acid
+CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4ccccc4CN5Cc6ccccc6C5=O	TQA	n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]benzamide
+CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3ccccc3	TQB	7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one
+CN(CC1CCC2=C(C1)C(=N[C@@H](N2)N)N)c3cc(c(c(c3)OC)OC)OC	TQD	(2r,6s)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine
+CCOC1=NC(=NC(=O)N1)N(C)C	TQE	4-(dimethylamino)-6-ethoxy-1~{h}-1,3,5-triazin-2-one
+c1cc(cc(c1)OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O	TQG	n-[(3-carboxyphenoxy)acetyl]-l-glutamic acid
+Cc1ccc(o1)CNc2[nH]c(nn2)c3cccs3	TQH	~{n}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{h}-1,2,4-triazol-3-amine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NS(=O)(=O)c3ccc(c(c3)C(F)(F)F)Cl	TQI	n-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}-l-tryptophan
+c1cnc(nc1)CCC[C@@H](CS(=O)(=O)N2CCN(CC2)c3ccc(cn3)Br)N(C=O)O	TQJ	n-[(2s)-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-yl-pentan-2-yl]-n-hydroxy-methanamide
+Cc1cc(ccc1C=O)n2ccnc2c3ccccc3	TQK	2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde
+c1cc(cnc1)/C(=N\O)/c2ccc(cc2O)O	TQL	4-[(e)-n-oxidanyl-c-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol
+c1cc(cc(c1)F)c2ccc3c(c2)c(c(o3)C#Cc4cccs4)CC(=O)O	TQM	{5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid
+CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O	TQN	[(3~{r})-1-[[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-[[(2~{r},3~{r},4~{r},5~{s},6~{r})-3-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxymethyl]-5-oxidanyl-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-2-phosphonooxy-oxan-3-yl]amino]-1-oxidanylidene-tetradecan-3-yl] hexadecanoate
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O	TQP	(2r,3r,4s,5s,6r)-3,5-dihydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+[H]/N=C\1/C=Cc2c(c[nH]c2C1=O)C[C@@H](C(=O)O)N	TQQ	(s)-2-amino-3-(6,7-dihydro-6-imino-7-oxo-1h-indol-3-yl)propanoic acid
+Cc1c2c(on1)[C@H]3C[C@H]4CNC[C@]4([C@@H]2O)N3C	TQS	(4r,4ar,7as,9r)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
+C1CCC2C(C1)CCN2C[C@H]3CCC4C(C3)C(NC(N4)N)N	TQT	6-(octahydro-1h-indol-1-ylmethyl)decahydroquinazoline-2,4-diamine
+c1cc2c(cc1N)c(ccn2)n3cncn3	TQU	4-(1h-1,2,4-triazol-1-yl)quinolin-6-amine
+Cc1ccccc1OP(=O)(O)OCc2ccccc2O	TQV	o-cresyl-saligenin phosphate
+COc1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O	TQW	4-[(6-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde
+Cc1c(cc(c2c1CCCO2)F)c3c4ccccc4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C	TQX	(2s)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2h-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid
+CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	TQY	6-o-octanoyl-alpha-d-glucopyranose
+C([C@@H](C(=O)O)N)SSSSS	TQZ	2-amino-3-pentasulfanylpropan-1-ol
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4ccccc4)O	TR0	(4r)-n-(biphenyl-4-ylmethyl)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolinamide
+CC(C)[C@@H](C(=O)OC)NC(=O)CNC(=O)[C@H](CS)NCc1ccc(cc1)c2ccccc2	TR1	2-(2-{2-[(biphenyl-4-ylmethyl)-amino]-3-mercapto-pentanoylamino}-acetylamino)-3-methyl-butyric acid methyl ester
+c1cnc2ccsc2c1O	TR2	thieno[3,2-b]pyridin-7-ol
+CSc1c2ccc(cc2n(n1)c3ccccc3)NC(=O)C4CCNCC4	TR3	n-[3-(methylsulfanyl)-1-phenyl-1h-indazol-6-yl]piperidine-4-carboxamide
+CSc1c(c(n(n1)c2ccccc2)N)C#N	TR4	5-amino-3-(methylsulfanyl)-1-phenyl-1h-pyrazole-4-carbonitrile
+CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C(=N1)N	TR5	5-methyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine
+c1cc(c(cc1F)F)N2C=C(C(=O)c3c2nc(c(c3)F)N4C[C@@H]5[C@H](C4)C5N)C(=O)O	TR6	trovafloxacin
+COC(=O)[C@H](Cc1c[nH]c2c1cccc2)N	TR7	methyl l-tryptophanate
+[B-](C(CCO)NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(CCCCC3=CC=CC4C3CN(C4)C(=O)O2)(C)C)C(C)(C)C)(O)(O)O	TR8	(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1h,5h-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3h)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)
+CC1=C(C(=O)C[C@@H](C1=O)O)O	TR9	(5s)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione
+C(/C(=C\C(=O)[O-])/C(=O)[O-])C(=O)[O-]	TRA	aconitate ion
+C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C	TRB	4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione
+C(C(CC(=O)O)C(=O)O)C(=O)O	TRC	tricarballylic acid
+CCCCCCCCCCCCC	TRD	tridecane
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O	TRE	trehalose
+c1ccc2c(c1)c(cn2C=O)C[C@@H](C(=O)O)N	TRF	n1-formyl-tryptophan
+CN(C)CCCC[C@@H](C(=O)O)N	TRG	l-(n,n dimethyl)lysine
+C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O	TRH	2'-deoxy-thymidine-beta-l-rhamnose
+c1[nH]cnn1	TRI	1,2,4-triazole
+c1cc(cc(c1)CN)CN	TRJ	meta-di(aminomethyl)benzene
+C[C@H]1[C@H]2C(=O)C=C([C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C/3\C(=O)CNC3=O)/O)C)C	TRK	tirandamycin d
+CC[C@H](C=O)[C@@H]1[C@H](CCN1C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)NS(=O)(=O)C	TRL	{1-[2-(1-formyl-propyl)-3-methanesulfonylamino-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester
+c1ccc2c(c1)[nH]c(n2)C(=O)O	TRM	1h-benoximidazole-2-carboxylic acid
+c1cc2c(c[nH]c2nc1)C[C@@H](C(=O)O)N	TRN	nz2-tryptophan
+c1ccc2c(c1)c(c([nH]2)O)C[C@@H](C(=O)O)N	TRO	2-hydroxy-tryptophan
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N	TRP	tryptophan
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])[NH-]	TRP_LEO2	l-tryptophan c-terminal deprotonated fragment
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)[NH-]	TRP_LEO2H	l-tryptophan c-terminal protonated fragment
+c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)O)[NH-]	TRP_LEO2H_DHE1	l-tryptophan-c-terminal protonated fragment/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)[O-])[NH-]	TRP_LEO2_DHE1	l-tryptophan-c-terminal deprotonated fragment/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N	TRP_LFOH	l-tryptophan free neutral
+c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)O)N	TRP_LFOH_DHE1	l-tryptophan-free neutral/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])[NH3+]	TRP_LFZW	l-tryptophan free zwitterion
+c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)[O-])[NH3+]	TRP_LFZW_DHE1	l-tryptophan-free zwitterion/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[nH]2)C[C@@H]([C-]=O)[NH-]	TRP_LL	l-tryptophan - linking embedded fragment
+c1ccc2c(c1)c(c[n-]2)C[C@@H]([C-]=O)[NH-]	TRP_LL_DHE1	l-tryptophan-linking embedded fragment/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[nH]2)C[C@@H]([C-]=O)[NH3+]	TRP_LSN3	l-tryptophan n-terminal protonated fragment
+c1ccc2c(c1)c(c[n-]2)C[C@@H]([C-]=O)[NH3+]	TRP_LSN3_DHE1	l-tryptophan-n-terminal protonated fragment/with side chain deprotonated ne1
+c1c(c2c([nH]1)C(=O)C(=O)C=C2)C[C@@H](C(=O)O)N	TRQ	2-amino-3-(6,7-dioxo-6,7-dihydro-1h-indol-3-yl)-propionic acid
+COc1cc(cc(c1OC)OC)Cc2c[nH+]c(nc2N)N	TRR	2,4-diamino-5-(3,4,5-trimethoxy-benzyl)-pyrimidin-1-ium
+C(C(CO)(CO)[NH3+])O	TRS	2-amino-2-hydroxymethyl-propane-1,3-diol
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC	TRT	fragment of triton x-100
+c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl	TRU	6-chloro-3-(dichloromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O	TRV	6-o-octanoyl-beta-d-fructofuranose
+c1ccc(cc1)NNc2ccc3c(c[nH]c3c2O)C[C@@H](C=O)N	TRW	trw3-(2-amino-3-hydroxy-propyl)-6-(n'-cyclohexyl-hydrazino)octahydro-indol-7-ol
+c1cc2c(cc1O)[nH]cc2C[C@@H](C(=O)O)N	TRX	6-hydroxytryptophan
+c1ccc2c(c1)c(c[nH]2)/C=C(/C(=O)O)\N	TRY	(2z)-2-amino-3-(1h-indol-3-yl)prop-2-enoic acid
+Cc1cc2c(cc1C(=O)CCC(=O)O)[C@H]([C@@H](C2(C)C)C)C(C)C	TRZ	trazeolide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O)O	TS	thymidine-5'-thiophosphate
+C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@H]([C@@H](CO)O)O)O	TS0	4-{2,6,8-trioxo-9-[(2s,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}butyl dihydrogen phosphate
+C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O	TS1	4-{2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}butyl dihydrogen phosphate
+C1CCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNC1)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N	TS2	2-amino-4-[4-(4-amino-4-carboxy-butyrylamino)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaaza-cyclotetracos-23-ylcarbamoyl]-butyric acid
+C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N	TS3	bis[[5-glutamyl-cysteinyl-glycyl]-aminopropyl]amine
+C(CCNCCCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CC[C@H](C(=O)O)N)NC(=O)CC[C@H](C(=O)O)N)CN	TS4	glutathionylspermidine disulfide
+C(CCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CN	TS5	glutathionylspermidine
+OP(=O)(O)S	TS6	monothiophosphate
+CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)OC(=O)C)OC(=O)C)OC(=O)C	TS8	2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranose
+C[C@H]([C@](C)([C@@H](C(=O)O)N)O)O	TS9	(2s,3s,4r)-2-amino-3,4-dihydroxy-3-methylpentanoic acid
+C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O	TSA	8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid
+C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O	TSB	5'-o-(n-(l-threonyl)-sulfamoyl)adenosine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](N)O	TSC	(1s)-1-amino-2-(1h-indol-3-yl)ethanol
+[2H]C([2H])(C(=O)[O-])C([2H])([2H])[Si](C)(C)C	TSD	3-trimethylsilyl-propionate-2,2,3,3,-d4
+C(C(=O)O)P(=S)(O)O	TSE	thiophosphonoacetic acid
+C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CC(F)(F)P(=O)(O)O	TSF	3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) 1,1 difluoropentane-1-phosphate
+[H]/N=C\Cc1c[nH]c2c1cccc2	TSH	2-(1h-indol-3-yl)ethanimine
+C[C@H]([C@](C)(CN)O)O	TSI	(2s,3r)-1-amino-2-methylbutane-2,3-diol
+Cc1cc(cc(c1)C(F)(F)F)c2cc([nH]n2)NC(=O)c3ccc(cc3C)C(=O)O	TSJ	3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}carbamoyl)benzoic acid
+Cn1cc(c2c1cc(c(c2)F)I)C3=C(C(=O)NC3=O)c4coc5c4cccc5OC	TSK	3-(5-fluoro-6-iodo-1-methyl-1h-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1h-pyrrole-2,5-dione
+CC(C)([C@H](C(=O)O)N/C=C/C=O)[S@@](=O)O	TSL	trans-enamine intermediate of sulbactam
+CC(C)(C)S(=O)(=O)O	TSM	2-methylpropane-2-sulfonic acid
+C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C	TSN	trichostatin a
+C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O	TSO	(1r,3s,5s,8r)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)S	TSP	3'-thio-thymidine-5'-phosphate
+C[Si](C)(C)c1ccc(cc1)C[C@@H](C(=O)O)N	TSQ	4-(trimethylsilyl)-l-phenylalanine
+c1ccc2c(c1)c(c[nH]2)CC(=O)N	TSR	2-(1h-indol-3-yl)acetamide
+c1ccc2c(c1)c(c[nH]2)CCN	TSS	2-(1h-indol-3-yl)ethanamine
+Cc1ccc(cc1)S(=O)(=O)N2CCSC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)O	TST	4-methyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-pentanoic acid
+Cc1ccc(cc1)S(=O)(=O)O	TSU	para-toluene sulfonate
+CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6	TSV	(2r,6s,12z,13as,14ar,16as)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2h-isoindole-2-carboxylate
+CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)CC=C	TSX	n-[4-(1-allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-ylmethyl)-phenyl]-acetamide
+C([C@@H](C(=O)O)N)SSS	TSY	(2s)-2-amino-3-trisulfanylpropanoic acid
+C(=S)(N)NN	TSZ	hydrazinecarbothioamide
+C[C@@]12[C@H]3[C@H]4[C@@]1(C(=O)NC(=O)N4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)OCOC[C@@H]6[C@H](C[C@H](N3C(=O)NC2=O)O6)O)C	TT	[(1r,3r,4s,9r,10s,12r,15as,15br,18br,18cs)-10-hydroxy-15a,15b-dimethyl-13,15,16,18-tetraoxohexadecahydro-8h-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraazacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl dihydrogen phosphate
+c1ccc(cc1)Cn2c(nnc2SCc3ccccc3Cl)c4cccs4	TT1	4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4h-1,2,4-triazole
+C[C@@H](\C=C\C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	TT2	(1r,3r,7e,17beta)-17-{(1s,2e,5r)-5-hydroxy-1-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+c1ccc(cc1)n2c(nc(n2)N)N	TT4	1-phenyl-1h-1,2,4-triazole-3,5-diamine
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)OP(=O)(O)O)O	TT7	4-o-phosphono-beta-d-fructofuranose
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O	TT8	(2s)-2-azanyl-4-[[(2s,3s,4r,5r)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
+c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4	TTA	tetraphenyl-arsonium
+C/C(=C\c1ccc(cc1)C(=O)O)/c2ccc3c(c2)C(CCC3(C)C)(C)C	TTB	4-[(1e)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]benzoic acid
+CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5c(ccc(c5CN(C)C)O)nc4C3=C2)O	TTC	(s)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1h-pyrano[3',4':6,7]inolizino[1,2-b]-quinoline-3,14(4h,12h)-dione
+C[C@@]12[C@H]3[C@H]4[C@@]1(C(=O)NC(=O)N4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O[P@@](=O)(OC[C@@H]6[C@H](C[C@H](N3C(=O)NC2=O)O6)O)O)C	TTD	cis-syn cyclobutane thymine dimer
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O	TTE	phosphomethyl phosphonic acid deoxythymidylate ester
+c1cc(sc1)C(=O)CC(=O)C(F)(F)F	TTF	4,4,4-trifluoro-1-thien-2-ylbutane-1,3-dione
+CC[C@](C1=C(C(=O)N2Cc3cc4c(ccc(c4CN(C)C)O)nc3C2=C1)CO)(C(=O)O)O	TTG	2-(1-dimethylaminomethyl-2-hydroxy-8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-7-yl)-2-hydroxy-butyric acid
+C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	TTH	2,6,10,14-tetramethyl-hexadeca-2,6,10,14-tetraene
+C1[C@@H]([C@H](O[C@H]1N2CC(=[Te])C(=O)NC2=O)COP(=O)(O)O)O	TTI	2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)
+Cc1cc(cc(c1)c2cc([nH]n2)NC(=O)[C@H]3COCCO3)C	TTJ	(2r)-n-[3-(3,5-dimethylphenyl)-1h-pyrazol-5-yl]-1,4-dioxane-2-carboxamide
+c1ccc2c(c1)CC[C@@H]([C@H]2O)N	TTL	trans-(1s,2s)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
+CCN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C	TTM	n3-ethyl-thymidine-5'-monophosphate
+C(C(=O)[O-])(C(=O)[O-])O	TTN	tartronate
+c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O	TTO	(3,4-dihydroxy-phenyl)-triphenyl-arsonium
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	TTP	thymidine-5'-triphosphate
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N	TTQ	6-amino-7-hydroxy-l-tryptophan
+CC(=O)n1c2ccccc2c3c1C(=O)CCC3	TTR	9-acetyl-2,3,4,9-tetrahydro-1h-carbazol-1-one
+c1cc(ccc1CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N)O	TTS	3-((3e)-4-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]imino}-6-oxocyclohexa-1,4-dien-1-yl)alanine
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)N	TTT	5-amino-2-methyl-n-[(1r)-1-naphthalen-1-ylethyl]benzamide
+C([C@@H]1[C@H]([C@H]([C@](O1)(CO)O)O)O)O	TTV	beta-d-psicofuranose
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O	TTW	5'-o-[hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]thymidine
+C[C@H]1C(=O)N[C@H](C(=O)N(/C(=C\c2ccccc2)/C(=O)NCC(=O)N1C)C)CC(C)C	TTX	tentoxin
+c1c(c2c(o1)CCCC2=O)C(=O)O	TTY	4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)NC2=N[C@@H]3[C@H](S2)[C@H]([C@@H]([C@@]3(CO)O)O)O)O)O)O)O	TTZ	n-[(3as,4r,5s,6s,6as)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]thiazol-2-yl]-alpha-  d-glucopyranosylamine
+c1cc(c(cc1Br)/C=C/S(=O)(=O)O)O	TU0	(e)-2-(5-bromo-2-hydroxyphenyl)ethenesulfonic acid
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cc(ccc5F)F	TU1	4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide
+Cc1ccc(cc1O)c2ccc(c(n2)C(=O)c3cc(c(c(c3)OC)OC)OC)F	TU2	[3-fluoro-6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
+Cc1ccc(cc1O)c2cncc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC	TU3	[6-(3-hydroxy-4-methylphenyl)pyrazin-2-yl](3,4,5-trimethoxyphenyl)methanone
+CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O	TU4	3-o-octanoyl-alpha-d-glucopyranose
+c1ccc(cc1)[C@H]2CN(CCO2)C(=O)c3ccc(cc3Cl)Cl	TU7	(2,4-dichlorophenyl)[(2s)-2-phenylmorpholin-4-yl]methanone
+c1ccc2c(c1)CC[C@@]23C(=O)N(C(=O)N3)c4cc(cnc4)F	TU8	(3~{s})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
+C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O	TUA	prednisolone
+C[N@]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@H]6Cc7ccc(c(c7)O3)O)(C)C)OC	TUB	(1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium
+c1cc2cnccc2c(c1)OCC(=O)O	TUC	(isoquinolin-5-yloxy)acetic acid
+C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	TUD	taurochenodeoxycholic acid
+C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N	TUE	7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine
+C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	TUG	3,4-di-o-sulfo-alpha-d-altropyranose
+CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c3)ccn4C	TUH	5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1h-indol-5-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+c1ccnc(c1)Sc2cnc(s2)NC(=O)NCc3[nH]cc(n3)c4ccc(cc4)OCC(=O)O	TUI	2-(4-(2-((3-(5-(pyridin-2-ylthio)thiazol-2-yl)ureido)methyl)-1h-imidazol-4-yl)phenoxy)acetic acid
+C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	TUJ	1,2,3,4-tetra-o-sulfo-alpha-d-allopyranose
+CSCC[C@@H](C1N=C(C(=O)N1CC=O)Cc2c[nH]c3c2cccc3)N	TUK	2-[2-[(1~{s})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{h}-indol-3-ylmethyl)-5-oxidanylidene-2~{h}-imidazol-1-yl]ethanal
+C1=CNC(=S)NC1=O	TUL	2-thioxo-2,3-dihydropyrimidin-4(1h)-one
+CC(C)CCCCCCCCC=CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O	TUM	tunicamycin
+CCN(CC)[P@](=O)(O)OCC	TUN	ethyl hydrogen diethylamidophosphate
+c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O)(=O)N	TUO	2-(hydrazinocarbonyl)-3-phenyl-1h-indole-5-sulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)F)O)O	TUP	3-deoxy-3-fluoro-alpha-d-glucopyranose
+Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3cc(ccc3OC4CCNCC4)Cl	TUQ	4-(4-chloro-2-{5-[(trimethyl-1h-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@]2(CO)O)CO)O)O)O)O)O	TUR	3-o-alpha-d-glucopyranosyl-alpha-d-fructofuranose
+CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)CO	TUS	(4ar,4bs,5s,6as,6bs,9ar,10as,10bs)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2h-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one
+[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2cc(ccc2OC3CCNCC3)Cl	TUT	5-chloranyl-n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
+C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C	TUV	vamorolone
+CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)C#N)(c4ccc(cc4)Cl)OCC5(CC5)CO)O	TUW	6-[[(1~{r})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@@H]([C@H]1O)CO)CC(=O)NO	TUX	1,5-anhydro-2-c-(carboxymethyl-n-hydroxyamide)-2-deoxy-3-o-myristoyl-d-glucitol
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)[C@@H]([C@H](C(=O)O)O)O)O	TUY	(3s,5s,9r,20r,21r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)
+CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)C(=O)N)O	TUZ	1-[[(1~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide
+CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C)(O)O	TV1	n-{(1s)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide
+c1ccc2c(c1)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N	TV2	5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc(c(nc2)N)Br)F	TV4	n-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide
+CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)O)O	TV5	(3~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
+CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O	TV7	(1s)-n-{(1s)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)OC	TV8	(2~{r},3~{s},4~{r},5~{r})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
+CCC[C@@H](C(=O)O)NC[C@H]([C@H](Cc1cccs1)N)O	TVA	n-[(2r,3s)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-l-norvaline
+C[C@@H]1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C=O	TVB	4-[[(2~{r})-2-methyl-3,4-dihydro-2~{h}-quinolin-1-yl]sulfonyl]benzaldehyde
+c1ccc2cc(ccc2c1)c3cccc(c3)C(=O)O	TVC	3-naphthalen-2-ylbenzoic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C)CO)O)O	TVD	n-acetyl-2-(acetylamino)-2-deoxy-beta-d-glucopyranosylamine
+C[C@H]1[C@H]([C@@H](N=C1[C@H](C=O)[C@@H](C)O)C(=O)O)SC2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O	TVE	(2~{s},3~{r},4~{r})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-2-carboxylic acid
+CCCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O	TVG	propyl beta-d-galactofuranoside
+c1cc2c(c(c1)Cl)[C@@](N(C2=O)Cc3ccc(cc3)[N+](=O)[O-])(c4ccc(cc4)Cl)OCC5(CC5)CO	TVH	(3~{r})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one
+CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)CO)O	TVK	(3~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
+COc1cccc(c1)CO[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O)CO)O	TVM	3-o-[(3-methoxyphenyl)methyl]-beta-d-galactopyranose
+CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC	TVN	n-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-valyl-l-aspartamide
+C[C@H]1CCc2ccccc2N1C(=O)C	TVP	(2s)-1-acetyl-2-methyl-1,2,3,4-tetrahydroquinoline
+CS(=O)CCCN=C=S	TVQ	1-isothiocyanato-3-methylsulfinyl-propane
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O)O	TVS	prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-d-glucopyranoside
+Cc1c(cn(n1)C(C)(C)C#N)Nc2ncc(c(n2)NC)C(F)(F)F	TVT	2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1h-pyrazol-1-yl)propanenitrile
+CN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3)C1=O)c4ccc(c(c4)OC)OC	TVU	n-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide
+C#CCO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O)CO)O	TVV	3-o-prop-2-yn-1-yl-beta-d-galactopyranose
+c1c2c(ncnc2n[nH]1)N	TVW	1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc(cc1)[C@@H](CN)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	TVY	(1s)-2-amino-1-phenylethyl alpha-d-mannopyranoside
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N	TVZ	3-(4-aminocarbonylphenyl)benzoic acid
+Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N	TW2	4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)Cl	TW5	(r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide
+C([C@@H]1[C@H]([C@@H](C([C@H](O1)F)(F)F)O)O)O	TW7	2-deoxy-2,2-difluoro-alpha-d-arabino-hexopyranosyl fluoride
+c1ccc2c(c1)NCCN2S(=O)(=O)c3ccc(cc3)C=O	TW8	4-(3,4-dihydro-2~{h}-quinoxalin-1-ylsulfonyl)benzaldehyde
+C([C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	TWA	2,3,4-tri-o-sulfo-beta-d-altropyranose
+Cc1cc2c(cc1C)OC(=O)C=C2CP(=O)(O)O	TWB	[(6,7-dimethyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O	TWD	2,3-di-o-sulfo-alpha-l-glucopyranose
+c1cc(ccc1C=O)C(=O)N2CCC(CC2)C#N	TWE	1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S	TWG	6-thio-alpha-d-mannopyranose
+C[C@@H]1CCCN1c2c(c3c(ncnc3n2C)N)C#N	TWH	4-amino-7-methyl-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S)O)O)O)O	TWJ	1-thio-beta-d-talopyranose
+Cn1c(c(c2c1ncnc2N)C#N)c3cccc(c3F)F	TWK	4-amino-6-(2,3-difluorophenyl)-7-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCOC(=O)[C@@H]1CCc2c(cn[nH]2)C1	TWL	ethyl (5r)-4,5,6,7-tetrahydro-1h-indazole-5-carboxylate
+CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO	TWM	4-({3-[(dimethylamino)methyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide
+CCCCCCCCCCCC(=O)OCC[C@H](C)[C@H]1[C@H]([C@H](CO1)C)C	TWN	(3s)-3-[(2s,3s,4r)-3,4-dimethyltetrahydrofuran-2-yl]butyl laurate
+COc1ccc(cc1OC)C(=O)O	TWO	3,4-dimethoxybenzoic acid
+c1ccc2c(c1)ccn2Cc3ccc(cc3)C(=O)NO	TWP	n-hydroxy-4-[(1h-indol-1-yl)methyl]benzamide
+CO[C@H]1CCCN(C1)c2cc(ccc2N(=O)=O)C=O	TWQ	3-[(3~{s})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde
+c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO	TWS	n-hydroxy-4-{[3-(2-hydroxyethyl)-1h-indol-1-yl]methyl}benzamide
+CCCCCCCCCCCCCCCCCCCCCC	TWT	docosane
+CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO	TWV	4-({3-[2-(dimethylamino)ethyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide
+CCOC(=O)[C@@]1(N[C@@H](CS1)C(=O)O)CS	TWW	(2~{s},4~{r})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S	TWY	4-thio-beta-d-xylopyranose
+c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)OCCc1cn(nn1)CC(=O)O	TWZ	exostwz molecular tweezer 
+c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-]	TX1	2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(NCCS)O)O	TX2	5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
+Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl	TX3	2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate
+C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O	TX4	l-threonohydroxamate 4-phosphate
+C[C@H](CC#CC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C	TX5	(1r,3r)-5-((z)-2-((1r,7as)-hexahydro-1-((s)-6-hydroxy-6-methylhept-4-yn-2-yl)-7a-methyl-1h-inden-4(7ah)-ylidene)ethylidene)cyclohexane-1,3-diol
+Cc1nc2c(c(n1)OC)CC[C@@H]3[C@@]2(CC(=C([C@H]3C)O)C#N)C	TX6	(6as,7s,10as)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
+c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Br)Br)Br)[N+](=O)[O-]	TX7	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-bromobenzoate
+C[C@H]([C@@H](C(=O)O)NC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	TXA	threonylcarbamoyladenylate
+C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S	TXB	4-deoxy-4-thio-alpha-d-xylopyranose
+CC(C)[C@@H](C(=O)OCCOCn1cnc2c1N=C(NC2=O)N)N	TXC	2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy]ethyl l-valinate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N	TXD	1,4,5,6-tetrahydronicotinamide adenine dinucleotide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N	TXE	[[(2r,3s,4r,5r)-5-[(3r)-3-aminocarbonyl-3,4-dihydro-2h-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
+CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)\c2ccccc2)/c3ccc(cc3)O	TXF	(z)-4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hydroxy-2-phenylpent-1-enyl)phenol
+c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N3CCCC[C@@H]3C(=O)N[C@H](C(=O)N2)CCCCCC([C@@H]4CO4)(O)O)Cc5ccccc5	TXG	(3s,6s,9s,15ar)-6,9-dibenzyl-3-{6,6-dihydroxy-6-[(2s)-oxiran-2-yl]hexyl}octahydro-2h-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3h,12h)-tetrone
+CC(C)(CO)[C@H](C(=O)NCCC(=O)CCl)O	TXI	(2r)-n-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide
+CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O	TXL	taxotere
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)[C@H](C(C)C)C(=O)O	TXM	(2s)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)CO[P@](=O)(O)O[C@H]4CN(C[C@@H]4CO[P@](=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5OC)N6CN=C7C6=NC(=NC7=O)N)CO)Cc8c[nH]c9c8ncnc9N)O[P@@](=O)(O)OCCCO	TXN	(2r,3r,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[(s)-({(3r,4r)-4-({[(s)-{[(2r,3r,4r,5r)-5-(2-amino-6-oxo-6,8-dihydro-9h-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidin-3-yl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydrofuran-3-yl 3-hydroxypropyl hydrogen (s)-phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=C[C@@H](C5)C(=O)N)O)O)O)OP(=O)(O)O)N	TXP	1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphate
+c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O	TXQ	1,2,5,8-tetrahydroxyanthracene-9,10-dione
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CN3CCCC3)O	TXS	1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-l-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione
+C[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)N[C@H]5CC([C@@H]([C@H]([C@@H]5O)O)O)CO	TXT	4,6-dideoxy-4-{[(1s,2r,3r,4s,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-allopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose
+CCCc1cc2c(c(n1)C)C=CC(=O)N2	TXW	5-methyl-7-propyl-1,6-naphthyridin-2(1h)-one
+C1[C@@H](C(=CC=C1C[C@@H](C(=O)O)N)O)O	TXY	3-[(5s)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-l-alanine
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O	TXZ	o-phosphono-n-(6-sulfanylhexanoyl)-l-threonine
+CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)N	TY0	(3s)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one
+CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)O)N	TY1	o-tert-butyl-l-tyrosine
+c1cc(c(cc1C[C@@H](C(=O)O)N)N)O	TY2	3-amino-l-tyrosine
+c1cc(c(cc1C[C@@H](C(=O)O)N)O)O	TY3	3-hydroxy-l-tyrosine
+Cc1cc(cc(c1OC(=O)c2ccc(cc2Cl)Cl)CNC(=O)c3ccccc3Cl)Br	TY4	4-bromo-2-({[(2-chlorophenyl)carbonyl]amino}methyl)-6-methylphenyl 2,4-dichlorobenzoate
+c1ccc(cc1)COc2ccc(cc2)C[C@@H](C(=O)O)N	TY5	o-benzyl-l-tyrosine
+c1c(c(cc(c1O)OO)OO)C[C@@H](C(=O)O)N	TY8	2,4-bis(hydroperoxy)-5-hydroxy-l-phenylalanine
+c1c(cc(c(c1O)OO)OO)C[C@@H](C(=O)O)N	TY9	3,4-bis(hydroperoxy)-5-hydroxy-l-phenylalanine
+c1cc(ccc1C[C@@H](CO[P@@](=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O	TYA	phosphoric acid 2-amino-3-(4-hydroxy-phenyl)-propyl ester adenosin-5'yl ester
+c1cc(ccc1C[C@@H](C=O)N)O	TYB	tyrosinal
+c1cc(ccc1C[C@@H](C(=O)N)N)O	TYC	l-tyrosinamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O	TYD	thymidine-5'-diphosphate
+c1cc(ccc1C[C@@H](CO)N)O	TYE	4-[(2s)-2-amino-3-hydroxypropyl]phenol
+c1cc(ccc1C[C@@H](C(=O)O)O)O	TYF	(2s)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
+Cc1cccc2c1N=C(NC2=O)CSc3ccncc3	TYG	8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3h)-one
+c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N	TYI	3,5-diiodotyrosine
+CN[C@@H](Cc1cc(c(cc1O)O)O)C(=O)O	TYJ	2,5-dihydroxy-n-methyl-l-tyrosine
+CC[C@@H]1[C@H](\C=C(\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)/C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC	TYK	tylosin
+CC(=O)Nc1ccc(cc1)O	TYL	n-(4-hydroxyphenyl)acetamide (tylenol)
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N	TYM	tryptophanyl-5'amp
+c1cc(ccc1C[C@@H](C(=O)O)N)Oc2ccc(c3c2NON3)N	TYN	aminobenzofurazan-o-tyrosine
+C([C@@H](C(=O)O)N)C(=C\C=C\OO)C=CO	TYO	(4z,6e)-2-amino-7-hydroperoxy-4-[(e)-2-hydroxyvinyl]hepta-4,6-dienoic acid
+c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O	TYP	cyclo-(l-tyrosine-l-proline) inhibitor
+c1c(c(cc(c1N)O)O)C[C@@H](C(=O)O)N	TYQ	3-amino-6-hydroxy-tyrosine
+c1cc(ccc1C[C@@H](C(=O)O)N)O	TYR	tyrosine
+c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])O	TYR_LEO2	l-tyrosine c-terminal deprotonated fragment
+c1cc(ccc1C[C@@H](C(=O)O)[NH-])O	TYR_LEO2H	l-tyrosine c-terminal protonated fragment
+c1cc(ccc1C[C@@H](C(=O)O)[NH-])[O-]	TYR_LEO2H_DHH	l-tyrosine-c-terminal protonated fragment/with side chain deprotonated oh
+c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])[O-]	TYR_LEO2_DHH	l-tyrosine-c-terminal deprotonated fragment/with side chain deprotonated oh
+c1cc(ccc1C[C@@H](C(=O)O)N)O	TYR_LFOH	l-tyrosine free neutral
+c1cc(ccc1C[C@@H](C(=O)O)N)[O-]	TYR_LFOH_DHH	l-tyrosine-free neutral/with side chain deprotonated oh
+c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])O	TYR_LFZW	l-tyrosine free zwitterion
+c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])[O-]	TYR_LFZW_DHH	l-tyrosine-free zwitterion/with side chain deprotonated oh
+c1cc(ccc1C[C@@H]([C-]=O)[NH-])O	TYR_LL	l-tyrosine - linking embedded fragment
+c1cc(ccc1C[C@@H]([C-]=O)[NH-])[O-]	TYR_LL_DHH	l-tyrosine-linking embedded fragment/with side chain deprotonated oh
+c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O	TYR_LSN3	l-tyrosine n-terminal protonated fragment
+c1cc(ccc1C[C@@H]([C-]=O)[NH3+])[O-]	TYR_LSN3_DHH	l-tyrosine-n-terminal protonated fragment/with side chain deprotonated oh
+c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O	TYS	o-sulfo-l-tyrosine
+c1ccc(cc1)C2CC2/N=C/3\CC(C(=O)C=C3O)C[C@@H](C(=O)O)N	TYT	tyrosine derivative
+C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	TYU	tetrahydrouridine
+C[C@@H]1[C@H](C[C@@H]([C@H](O1)O)O)O	TYV	alpha-d-tyvelopyranose
+c1cc(ccc1C[C@@H](C(O)O)N)O	TYW	(2s)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol
+c1ccc(cc1)NC(=O)CSC[C@@H](C(=O)O)N	TYX	s-(2-anilino-2-oxoethyl)-l-cysteine
+C1=C(C(=O)C=C(C1=N)O)C[C@@H](C(=O)O)N	TYY	3-(4-hydroxy-3-imino-6-oxo-cyclohexa-1,4-dienyl)-alanine
+CC(=O)Nc1ccc(cc1)C(=O)O	TYZ	para acetamido benzoic acid
+COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@H]4CCN(C4)C(=O)C=C)N	TZ0	1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one
+c1cc(sc1)C(=O)Nc2nnc(s2)Sc3ccnc4c3ccc(c4)Cl	TZ1	n-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCN=[N+]=[N-]	TZ2	~{n}-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine
+c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N	TZ4	3,8-diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1,2,3-triazol-4-yl]hexyl]-phenanthridinium
+c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N	TZ5	3,8-diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1,2,3-triazol-5-yl]hexyl]-phenanthridinium
+Cc1cccc2c1N=C(NC2=O)CSC3CCC(CC3)O	TZ7	2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3h)-one
+CCCCCCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N	TZ8	(2~{r})-2-azanyl-5-[[(2~{r})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+C1=CC(C=CC1CC[C@@H](C(=O)O)N)N	TZA	trans-amiclenomycin
+C\C=C(\C1=N[C@H](CS1)C(=O)O)/N	TZB	(4s)-2-[(1e)-1-aminoprop-1-enyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+c1ncn(n1)C(=[NH2+])N	TZC	1,2,4-triazole-carboxamidine
+Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C	TZD	2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogen diphosphate
+Cc1c(scn1)CCO	TZE	2-(4-methyl-thiazol-5-yl)-ethanol
+c1cc(ccc1n2cncn2)O	TZF	4-(1h-1,2,4-triazol-1-yl)phenol
+c1c(c(cc(c1[N+](=O)[O-])Cl)C[C@@H](C(=O)O)N)CCC(=O)O	TZG	(s)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid
+Cc1ccc(c(c1)OC(=O)C2CCC2)[N+](=O)O	TZH	(5-methyl-2-nitro-phenyl) cyclobutanecarboxylate
+Cc1ccc(cc1)S(=O)(=O)N2CCOCC2	TZK	4-(4-methylphenyl)sulfonylmorpholine
+CC[C@@H](C)c1nccs1	TZL	2-(sec-butyl)thiazole
+c1cc(cc(c1)N)Cn2cncn2	TZM	3-(1h-1,2,4-triazol-1-ylmethyl)aniline
+COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)[C@H]4CCCO4	TZN	[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2r)-tetrahydrofuran-2-yl]methanone
+c1c(ncs1)C(=O)O	TZO	1,3-thiazole-4-carboxylic acid
+Cc1c(scn1)CCOP(=O)(O)O	TZP	4-methyl-5-hydroxyethylthiazole phosphate
+c1cc(c(cc1OCc2ccc(o2)C(=O)O)Cl)F	TZQ	5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid
+COC1=C(Cc2c(c(ncn2)N3CCC(CC3)CNS(=O)(=O)N)C1)OC	TZS	n-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide
+CC[C@@H](C)[C@@H]([C@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C)C(=O)NCCc2ccccc2)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C	TZT	soblidotin
+COc1ccc2c(ccnc2c1)Oc3ccc(cc3)NS(=O)(=O)N	TZV	n-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide
+c1cc(c(cc1C=O)N2CCC(CC2)O)N(=O)=O	TZW	4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde
+CC(C)c1nnc2n1cc(cc2)c3c(nco3)c4ccc(cc4)F	TZY	6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-3-isopropyl[1,2,4]triazolo[4,3-a]pyridine
+COP(=O)(OC)OC	TZZ	trimethyl phosphate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U	uridine-5'-monophosphate
+CC(C)[C@@H](c1ccc(cc1)Br)C2=C(c3ccccc3OC2=O)O	U01	3-[1-(4-bromo-phenyl)-2-methyl-propyl]-4-hydroxy-chromen-2-one
+CC[C@H](Cc1ccccc1)C2=CC(=C(C(=O)O2)[C@H](c3cccc(c3)NC(=O)CCNC(=O)OC(C)(C)C)C4C=C4)O	U02	[2-(3-{[6-(1-benzyl-propyl)-4-hydroxy-2-oxo-2h-pyran-3-yl]-cyclopropyl-methyl}-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester
+CCC(c1ccccc1)C2=C(c3ccc(cc3OC2=O)OC)O	U03	4-hydroxy-7-methoxy-3-(1-phenyl-propyl)-chromen-2-one
+CC[C@@H](c1cccc(c1)NC(=O)CNC(=O)OC(C)(C)C)C2=C(c3ccccc3OC2=O)O	U04	({3-[1-(4-hydroxy-2-oxo-2h-chromen-3-yl)-propyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester
+CCN1c2cc(ccc2N(C(=O)c3c1nccc3)C)[N+](=O)[O-]	U05	6,11-dihydro-11-ethyl-6-methyl-9-nitro-5h-pyrido[2,3-b][1,5]benzodiazepin-5-one
+CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O	U06	4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid
+c1ccc(cc1)C2=C(C(=O)C(=C([C@H]2O)O)c3ccccc3)O	U07	(2~5~s)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~h)-one
+c1cc(n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)C#N	U08	(2~{r},3~{r},4~{s},5~{r})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile
+c1ccc2c(c1)C(=O)Nc3cc(ccc3S2)C(=O)NCCc4ccc(cc4)S(=O)(=O)N	U0A	11-oxo-n-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
+Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCN(CC4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C	U0D	4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-5-yl)-n-(3,5-dimethylphenyl)pyrimidin-2-amine
+CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N	U0E	n-[[1-[n-acetamidyl]-[1-cyclohexylmethyl-2-hydroxy-4-isopropyl]-but-4-yl]-carbonyl]-glutaminyl-arginyl-amide
+COc1cc(c(cc1C#N)OC)CCNCc2ccccc2O	U0G	4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile
+Cc1c(cccc1OC)C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C	U0H	~{n}-~{tert}-butyl-2-methoxy-~{n}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide
+CN1C=CN([C]1[Ru](Cl)Cl)Cc2c3ccccc3cc4c2cccc4	U0J	{(2r)-1-[(anthracen-9-yl)methyl]-3-methyl-2,3-dihydro-1h-imidazol-2-yl}(dichloro)ruthenium
+Cc1c(cnn1[C@@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N	U0K	4-amino-7-methyl-2-({5-methyl-1-[(3r)-oxolan-3-yl]-1h-pyrazol-4-yl}amino)-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1nnc(s1)CN2CCC=C(C2)F	U0M	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine
+Cc1c(cn(n1)C)Nc2nc(c3c(c(n(c3n2)C)N4CCC[C@H]4C)C#N)N	U0N	4-amino-2-[(1,3-dimethyl-1h-pyrazol-4-yl)amino]-7-methyl-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1cc(no1)CN(C)C(=O)NC2CC2	U0P	n'-cyclopropyl-n-methyl-n-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
+C[C@@H]1CCCN1c2c(c3c(nc(nc3n2C)Nc4cnn(c4)C)N)C#N	U0Q	4-amino-7-methyl-2-[(1-methyl-1h-pyrazol-4-yl)amino]-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1cnc(cn1)N2CC[C@@]3(C2)CCOC3	U0S	(5s)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
+Cc1c(cnn1[C@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N	U0T	4-amino-7-methyl-2-({5-methyl-1-[(3s)-oxolan-3-yl]-1h-pyrazol-4-yl}amino)-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1ccc(c(c1)C(=O)NCCc2ccncc2)F	U0V	2-fluoro-n-[2-(pyridin-4-yl)ethyl]benzamide
+c1cc2c(cc1OCc3ccc(o3)C(=O)O)CCC2	U0W	5-[(2,3-dihydro-1h-inden-5-yloxy)methyl]-2-furoic acid
+Cc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C	U0Y	1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one
+[H]/N=C/1\N2CCCc3c2c(ccc3)S1	U0Z	5,6-dihydro-2-imino-2h,4h-thiazolo(5,4,3-ij)quinoline
+[U]	U1	uranium atom
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	U10	ubiquinone-10
+C[C@@H](C(=O)NCC(=O)OC)NC(=O)[C@H]([C@@H](c1ccc(cc1)C(F)(F)F)N)O	U11	methyl n-{(2s,3r)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl}alanylglycinate
+c1cc(cc(c1)/N=N/C2=C(N=NC2=N)N)C(F)(F)F	U12	5-imino-4-(3-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine
+[H]/N=C/1\C(=C(N=N1)N)/N=N/c2ccc(cc2)F	U13	4-(4-fluoro-phenylazo)-5-imino-5h-pyrazol-3-ylamine
+[H]/N=C\1/C(=C(N=N1)N)/N=N/c2cccc(c2)C(=O)O	U14	3-(5-amino-3-imino-3h-pyrazol-4-ylazo)-benzoic acid
+Cc1ccc(cc1)[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)OC)O)N	U15	methyl n-[(2s,3r)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]-d-alanyl-d-leucinate
+CC(C)C[C@H](C(=O)OC)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](c1ccc(cc1)C(C)C)N)O	U16	methyl n-[(2s,3r)-3-amino-2-hydroxy-3-(4-isopropylphenyl)propanoyl]-d-alanyl-d-leucinate
+CCCC[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC)O)N	U17	methyl n-[(2s,3r)-3-amino-2-hydroxyheptanoyl]-l-seryl-l-leucinate
+CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O	U18	(s)-2-(5-(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid
+[H]/N=C\1/C(=C(N=N1)N)/N=N/c2ccccc2C(F)(F)F	U19	5-imino-4-(2-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine
+Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)C	U1A	1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1cc(c(cc1C=O)N2CCC[C@@H](C2)O)N(=O)=O	U1B	4-nitro-3-[(3s)-3-oxidanylpiperidin-1-yl]benzaldehyde
+CC(=O)NNC(=O)c1cc2c(s1)CCCC2	U1D	n'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
+CN(C)c1cccc2c1c(ccc2)N(C)C	U1E	~{n}1,~{n}1,~{n}8,~{n}8-tetramethylnaphthalene-1,8-diamine
+CC(=O)N1CCN(CC1)C(=O)c2ccco2	U1G	1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one
+CC(C)(C)c1c(c(ns1)[O-])C[C@@H](C(=O)O)[NH3+]	U1K	(s)-2-amino-3-(3-hydroxy-5-tert-butylisothiazol-4-yl) proprionic acid
+Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)C(=O)C	U1M	1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+C[C@H](CCc1ccc(cc1)C(=O)N)NCC(=O)c2ccc(cc2)F	U1N	4-[(3r)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}butyl]benzamide
+[H]/N=C/C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U1P	6-[(e)-iminomethyl]uridine 5'-phosphate
+c1cc(ncc1F)N	U1Q	5-fluoranylpyridin-2-amine
+CCOC(=O)C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	U1S	1-{5-deoxy-5-[4-(ethoxycarbonyl)piperidin-1-yl]-alpha-l-arabinofuranosyl}pyrimidine-2,4(1h,3h)-dione
+Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCCC4	U1T	5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2h)-one
+Cc1cc(ccc1CS(=O)(=O)N)F	U1V	1-(4-fluoro-2-methylphenyl)methanesulfonamide
+[H]/N=C\1/N2CCCc3c2c(ccc3)N1CC	U1W	3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS)O)O)O	U1Y	methyl 6-thio-beta-d-glucopyranoside
+Cn1cc(cn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C	U1Z	4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile
+CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O	U20	uridine-5'-diphosphate-3-o-(r-3-hydroxymyristoyl)-n-acetyl-d-glucosamine
+CCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O	U21	uridine-5'-diphosphate-3-o-(r-3-hydroxydecanoyl)-n-acetyl-d-glucosamine
+CCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O	U22	uridine-5'-diphosphate-3-n-(r-3-hydroxylauroyl)-n-acetyl-d-glucosamine
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O3)O	U23	uridine-5'-monophosphate-2',3'-cyclic phosphate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U25	uridine-5'-monophosphate
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@H](C3)Oc4nnc(s4)NC(=O)Cc5ccccc5	U27	2-phenyl-n-{5-[(3r)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+CCC1(CCN(CC1)Cc2cccc(c2)Cl)C(=O)/C=C(/C(=O)OC)\O	U28	methyl (z)-4-(1-(3-chlorobenzyl)-4-ethylpiperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S	U2A	methyl 2-thio-beta-d-glucopyranoside
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	U2D	6-o-decanoyl-alpha-d-glucopyranose
+CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCNCC3)C(=O)C	U2E	methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O	U2F	uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-d-glucose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N	U2G	uridylyl-2'-5'-phospho-guanosine
+CNC(=O)c1csc(n1)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C	U2J	(4s)-1-methyl-n-{(3s,5s)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide
+Cc1c(c2n(n1)CCO2)c3cn(c4c3cccc4)C(=O)C	U2K	1-[3-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OCCOC)O	U2L	5-methyl-3'-o-methoxyethyl uridine-5'-monophosphate
+C(CC[C@@H](C(=O)O)N)CCS	U2M	(2s)-2-amino-7-sulfanylheptanoic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N	U2N	2'-amino-2'-deoxyuridine 5'-(dihydrogen phosphate)
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O	U2P	phosphoric acid mono-[2-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl] ester
+c1cc(c(nc1)SCC(=O)O)[N+](=O)[O-]	U2Q	2-[(3-nitro-2-pyridyl)thio]acetic acid
+C1COCCN1C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	U2S	1-(5-deoxy-5-morpholin-4-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+CC(C)(C)c1ccc(cc1)c2nc(on2)C(=O)NN	U2T	3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide
+c1cc(ccc1NC(=O)NCCCCC(=O)NO)S(=O)(=O)N2CCN(CC2)c3cc(cc(c3)Cl)C(F)(F)F	U2V	5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-n-hydroxypentanamide
+C1(=C(C(=NNC1=O)N(=O)=O)Cl)Cl	U2W	4,5-bis(chloranyl)-3-nitro-1~{h}-pyridazin-6-one
+c1cc(ccc1C[C@@H](C(=O)O)N)OCC2CCCCC2	U2X	o-(cyclohexylmethyl)-l-tyrosine
+B(c1ccc(cc1)C(=O)N(C)CC)(O)O	U2Y	{4-[ethyl(methyl)carbamoyl]phenyl}boronic acid
+Cc1cc(nn1c2ccccc2CN)CO	U2Z	[1-[2-(aminomethyl)phenyl]-5-methyl-pyrazol-3-yl]methanol
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCCN	U31	2'-o-3-aminopropyl 2'-deoxyuridine-5'-monophosphate
+CC(C)c1cnc(s1)Nc2ccc(cc2)S(=O)(=O)N	U32	4-[(5-isopropyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)O	U33	5-bromo-2'-deoxy uridine
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CC(O)P(=O)(O)O)O)O	U34	uridine 5'-monomethylphosphate
+CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)[C@@H](C(C)C)C(=O)O	U35	(2~{s})-3-methyl-2-[pentanoyl-[[4-[2-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
+COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	U36	2'-o-methyoxyethyl-uridine-5'-monophosphate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)O)O	U37	uridine 5'-monothiophosphate
+COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3C(F)(F)F)O	U3A	5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide
+CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	U3D	[(2r)-3-[(z)-icos-11-enoyl]oxy-2-[(z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
+CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	U3G	(2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9z)-octadec-9-enoyl]oxy}propyl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2O)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	U3H	3'-deoxy-uridine 5'-triphosphate
+c1nc2c(n1[C@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O	U3J	xanthosine diphosphate
+Cc1ccc(o1)CN(C)Cc2ccccc2	U3K	~{n}-methyl-~{n}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine
+c1cc2ccc(cc2nc1)c3cc(cc(c3)C(=O)O)c4ccc5c(c4)cccn5	U3M	3-quinolin-6-yl-5-quinolin-7-yl-benzoic acid
+c1cc(ccc1NC(=[Se])Nc2ccc(cc2)S(=O)(=O)N)F	U3N	1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O	U3P	3'-uridinemonophosphate
+c1ccc2c(c1)cccc2CCCCC(=O)O	U3Q	1-naphthalenepentanoic acid
+C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	U3S	1-(5-deoxy-5-piperidin-1-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+C#CCOc1ccccc1CCCCCC(=O)O	U3T	6-(2-prop-2-ynoxyphenyl)hexanoic acid
+CC(C)(C)c1cc(n(n1)C)C(=O)N2CCC(CC2)C[C@@H](C(=O)NC)NC(=O)[C@@H]3CCCC(=O)N3	U3V	(2s)-n-[(2s)-3-[1-(3-tert-butyl-1-methyl-1h-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
+CN1C(=O)N(C(=O)S1)Cc2ccccc2	U3W	2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione
+c1cc(ccc1C[C@@H](C(=O)O)N)NCC2CCCCC2	U3X	4-[(cyclohexylmethyl)amino]-l-phenylalanine
+CNC(=O)c1csc(n1)[C@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C	U3Y	(4s)-1-methyl-n-{(3s,5r)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide
+CC(C)(c1ccc2c(c1)C(=O)N([C@]2(c3ccc(cc3)Cl)OCC4(CC4)CO)Cc5ccc(cc5)C#C)O	U3Z	(3~{r})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
+C[C@H](C(=O)Nc1ccc(cc1)F)C23CC(C2)(C3)NC(=O)c4cccc(c4)Cl	U41	3-chloro-n-(3-{(2s)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide
+CC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O	U44	(2r)-2-hydroxy-3,3-dimethyl-n-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
+CCCCC[C@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)CO2)O	U46	(5e)-7-{6-[(1e)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid
+CC1=CN(C(=O)[NH+]=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	U48	5-methyl-2'-deoxy-n3-protonated cytidine-5'-monophosphate
+c1cc2ccc3cc2c(c1)N4CCC(C4=O)NCc5cncn5Cc6ccc(c(c6)O3)C#N	U49	(20s)-19,20,21,22-tetrahydro-19-oxo-5h-18,20-ethano-12,14-etheno-6,10-metheno-18h-benz[d]imidazo[4,3-k][1,6,9,12]oxatri aza-cyclooctadecosine-9-carbonitrile
+c1cnc(c(c1C(=O)O)F)C(=O)O	U4B	3-fluoranylpyridine-2,4-dicarboxylic acid
+[H]/N=C(\N)/NCCCCCCCC	U4G	n-octylguanidine
+COc1ccc(cc1)c2cccc(c2)C(=O)O	U4J	3-(4-methoxyphenyl)benzoic acid
+c1ccc2c(c1)ccnc2SCC(=O)O	U4K	2-isoquinolin-1-ylsulfanylethanoic acid
+C[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O	U4M	1-{2,5-dideoxy-2-fluoro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}pyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)c(ccc2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)NS(=O)(=O)CC(F)(F)F	U4N	2,2,2-tris(fluoranyl)-~{n}-[4-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide
+C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O	U4P	5'-deoxyuridine
+c1c(c(cnc1C(=O)O)F)C(=O)O	U4Q	5-fluoranylpyridine-2,4-dicarboxylic acid
+C1CCN(C1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	U4S	1-(5-deoxy-5-pyrrolidin-1-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc-2c(c1)CCc3c2sc(c3)C(=O)O	U4T	4h,5h-naphtho[1,2-b]thiophene-2-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNc4ccc(cc4)S(=O)(=O)N	U4V	3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1h-1,2,3-triazol-1-yl)thymidine
+CN1CCN(CC1)c2ccc(c(c2)NC3CCC(CC3)O)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	U4W	n-[5-(3,5-difluorobenzyl)-1h-indazol-3-yl]-2-[(4-hydroxycyclohexyl)amino]-4-(4-methylpiperazin-1-yl) benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)NC(=O)/C=C/C4C=CC(C=C4)O)O)O)N	U4Y	(2s)-4-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2e)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid
+CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2	U51	(5z)-7-{(1r,4s,5r,6r)-6-[(1e)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid
+C[C@@H]1C[C@@H](CN(C1)c2ncc(c(n2)Nc3ccc4c(c3)C=C(C(=O)N4C)OCC(=O)NC)Cl)C	U52	2-[6-[[5-chloranyl-2-[(3~{s},5~{r})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{n}-methyl-ethanamide
+CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OC	U53	ethyl 4-(2-cyanoethylsulfanyl)-6-methoxy-quinoline-3-carboxylate
+c1cc(ccc1Nc2cc(ncn2)N)S(=O)(=O)N	U55	4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide
+CCCC[C@](C)(CO)Nc1c2c(cc(cn2)F)nc(n1)N	U57	(2r)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
+c1ccc2c(c1)c(ncn2)SCCC(=O)O	U58	3-(quinazolin-4-ylsulfanyl)propanoic acid
+[H]/N=C\1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)CCC3)COC(=O)N	U5A	[(2z,3as,4r,6z,10ar)-2,6-diiminooctahydro-1h,8h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
+c1cc2c3c(ccc(c3c1)SCC(=O)O)CC2	U5B	2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid
+CNC(=O)c1cc2c(s1)-c3ccccc3CC2	U5E	n-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	U5F	5'-o-[(r)-hydroxy{[(s)-hydroxy{[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC3CCC3)[C@H](C(=O)N)O)C	U5G	boceprevir (bound form)
+CN1[C@@H](CCC1=O)c2cccnc2	U5H	(5~{s})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
+CO[C@H](CNC(=O)c1ccccc1OCC(=O)O)C[Hg]O	U5J	[(2r)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury
+C[C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)OP(=O)(O)O	U5M	1-(2,6-dideoxy-2-fluoro-5-o-phosphono-alpha-l-talofuranosyl)pyrimidine-2,4(1h,3h)-dione
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U5P	uridine-5'-monophosphate
+C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)OP(=O)(O)O	U5R	1-(2,6-dideoxy-2-fluoro-5-o-phosphono-beta-d-allofuranosyl)pyrimidine-2,4(1h,3h)-dione
+Cc1ccc(cc1C)C2=N/C(=C/c3cnn(c3)C)/C(=O)O2	U5T	(4~{e})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
+c1ccc(c(c1)CN)F	U5V	1-(2-fluorophenyl)methanamine
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC=C2C4(CC4)CCCC(C)(C)O	U5W	1,25-dihydroxy-16-ene-20-cyclopropyl-vitamin d3
+c1ccc(cc1)[C@H]2CCCN2C(=O)C[C@H]3C(=O)N[C@@H](Cc4ccc(cc4)Oc5cccc(c5)CCC(=O)N3)C(=O)NCc6ccccc6F	U5Y	(12s,15s)-n-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2r)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide
+c1cc(ccc1NNC(=S)N)F	U5Z	1-[(4-fluorophenyl)amino]thiourea
+c1ccc(cc1)c2cn(nn2)[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)Cn4cc(nn4)c5ccc(cc5)F)O	U61	2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-4-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-l-manno-heptitol
+c1ccc2c(c1)-c3c(cc(s3)C(=O)O)CO2	U62	4~{h}-thieno[3,2-c]chromene-2-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O	U63	2-deoxy-2-fluoro-4-o-beta-d-glucopyranosyl-beta-d-glucopyranose
+C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)C(=O)N3CCOCC3)c4cc(ccc4F)/C=C(/c5ccc(cn5)C#N)\F	U64	6-[(z)-2-{3-[(1s,5s,6s)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile
+COC(=O)c1cc2c(s1)-c3ccccc3OC2	U65	methyl 3~{a},4-dihydro-3~{h}-thieno[3,2-c]chromene-2-carboxylate
+c1cc2ccc3cc2c(c1)N4CC[C@@H](C4=O)NCCc5cncn5CC6=CCC(C(C6)O3)C#N	U66	(20s)-19,20,22,23-tetrahydro-19-oxo-5h,21h-18,20-ethano-12,14-etheno-6,10-methenobenz[d]imidazo[4,3-l][1,6,9,13]oxatria zacyclonoadecosine-9-carbonitrile
+CC(C)CCCN	U67	4-methylpentan-1-amine
+CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)N(O)O	U68	(4-nitrophenyl) (2~{s})-2-(6-methoxynaphthalen-2-yl)propanoate
+C[C@H]([C@@H](C(=O)O)NC(=O)O)O	U6A	n-carboxy-l-threonine
+[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)C3(CCOCC3)N	U6B	4-azanyl-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]oxane-4-carboxamide
+C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)OCCN5CC(C5)CF)F	U6D	(1r,3r)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1h-beta-carboline
+Cc1csc(n1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)Cl	U6E	4-(6-azanyl-2-chloranyl-purin-9-yl)-~{n}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
+c1cc(cc(c1)Cl)C(=O)N2CCCc3c2ccc(c3)CNC(=O)c4ccc(cc4)Cl	U6G	4-chloro-n-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide
+COc1cccc(c1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)c5ccncc5	U6H	4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{n}-(3-methoxyphenyl)cyclohexane-1-carboxamide
+[C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	U6J	(1r,2r,3s,4r,5r,6s)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+c1cc2ccc(cc2nc1)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=C[C@@H]5[C@H]4NC=NC5N)O)O	U6K	(2~{r},3~{r},4~{s},5~{r})-2-[(4~{a}~{s},7~{a}~{s})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol
+CC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U6M	6-methyluridine 5'-(dihydrogen phosphate)
+CCc1c(c2c(ncnc2n1CC#CC)N[C@H](Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl	U6N	(2~{r})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
+CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl	U6Q	(2~{r})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
+c1cc(ccc1NC(=O)C2CCC(CC2)n3cnc4c3ncnc4N)S(=O)(=O)C(F)(F)F	U6T	4-(6-aminopurin-9-yl)-~{n}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide
+c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc(cc3)F	U6V	n~2~-(3-aminopropyl)-n-[(4-fluorophenyl)methyl]-n~2~-(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide
+c1cc(oc1/C=N/N2CC(=O)NC2=O)N(=O)=O	U6Z	1-[(~{e})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
+[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	U71	(1s,2r,3s,4s,5s,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+[H]/N=C/1\N(Cc2cccc3c2N1CCC3)C	U72	2-methyl-1,2,6,7-tetrahydro-3h,5h-pyrido[3,2,1-ij]quinazolin-3-imine
+CC(C)C1=CN/C(=N/C(=O)Cc2cccnc2)/S1	U73	n-(5-isopropyl-thiazol-2-yl)-2-pyridin-3-yl-acetamide
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc(cc3)C(=O)O	U75	4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid
+c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3	U77	n-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-n-(2-phenylethyl)-beta-alanine
+Cc1ccccc1CCNC(=O)C	U78	~{n}-[2-(2-methylphenyl)ethyl]ethanamide
+c1ccc(cc1)CCN(CCC#N)CC(=O)N(CCc2ccccc2)CCc3ccc(cc3)S(=O)(=O)N	U7A	n~2~-(2-cyanoethyl)-n,n~2~-bis(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)O)O)(F)F	U7B	2'-deoxy-2'2'-difluorodeoxycytidine
+c1cc(cc(c1)S(=O)(=O)N)c2[nH]nnn2	U7E	5-(3-sulfamoylphenyl)-1h-1,2,3,4-tetrazol-1-ide
+c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3	U7G	n~2~-(3-aminopropyl)-n-[(furan-2-yl)methyl]-n~2~-(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide
+Cc1c(cn(n1)C[C@@](C)(C(=O)N2CCN(CC2)c3cccc4c3ccnc4)O)c5ccccc5	U7H	2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-1h-pyrazol-1-yl)propan-1-one
+c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc4ccccc4c3	U7J	n-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-n-(2-phenylethyl)-beta-alanine
+C[C@](C/N=C/1\N2CCCc3c2c(ccc3)S1)(C(=O)N4CCN(CC4)c5cccc6c5ccnc6)O	U7K	(e)-3-((5,6-dihydro-2h,4h-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C	U7P	(8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one
+c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F	U7Q	~{n}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
+Cc1c(sc(c1Br)C(=C)F)CNCCCNC2=CC(=O)c3ccccc3N2	U7S	2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1h)-one
+c1cn2cnc3c(c2n1)NC(=O)N3[C@H]4C[C@@H]([C@H](O4)COP(O)O)O	U7T	[(2~{r},3~{s},5~{r})-3-oxidanyl-5-(2-oxidanylidene-1~{h}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite
+Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO	U7V	tedizolid
+C[C@H]1c2ccsc2CCN1C(=O)Cn3c4ccccc4nn3	U7W	2-(benzotriazol-1-yl)-1-[(4~{s})-4-methyl-6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-yl]ethanone
+Cn1c(nnn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO	U7Y	tedizolid isomer
+c1ccc(c(c1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)Cl	U7Z	4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide
+c1csc2c1NC(=CC2=O)NCCCN[C@@H]3CCOc4c3cc(cc4Br)Br	U81	5-[(3-{[(4r)-6,8-dibromo-3,4-dihydro-2h-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(6h)-one
+CC(C)(C)c1ccc(cc1)c2coc3c2nc(cc3)c4c[nH]nc4	U82	3-(4-tert-butylphenyl)-5-(1h-pyrazol-4-yl)furo[3,2-b]pyridine
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccc(cc3)Cn4cnc(c-5ncnc45)N	U85	1-((4'-((6-amino-3h-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium
+c1cc(c(c2c1[C@H](CNC2)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Cl)Cl	U87	5'-([(3s)-3-amino-3-carboxypropyl]{3-[(4r)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine
+c1c(scn1)N(=O)=O	U88	5-nitro-1,3-thiazole
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CCCC2=C(N=C(NC2=O)N)N)C(=O)CSCC(=O)NCCCCOP(=O)(O)O	U89	n-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)-propyl]-[2-((2-oxo-2-((4-phosphoriboxy)-butyl)-amino)-ethyl)-thio-acetyl]-amino]benzoyl]-1-glutamic acid
+c1ccc(cc1)C[C@]2(C(=O)N[C@](C(=O)N2)(CO)S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	U8B	(2~{s})-2-azanyl-5-[[(2~{r})-3-[(2~{r},5~{r})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+CCc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N	U8D	(3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1h-indol-5-yl]oxy}propyl)phosphonic acid
+CC(C)(C)OC(=O)NC(CC1=C[N](=C(N1C)[Rh])C)C(=O)OC	U8G	(4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1h-imidazol-2-yl)rhodium
+CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C(=O)NC	U8J	n-methyl-4-{[4-(1-propyl-1h-pyrazol-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide
+c1ccc(cc1)S(=O)(=O)Nc2cccnc2C(=O)O	U8K	3-(phenylsulfonylamino)pyridine-2-carboxylic acid
+c1cc(c(c(c1)F)F)N=Nc2ccc(nc2N)N	U8M	3-[(z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine
+c1ccc2c(c1)C(=CNC2=O)O	U8N	4-oxidanyl-2~{h}-isoquinolin-1-one
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C(=O)OC(C)(C)C	U8P	tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1h-pyrazol-4-yl}-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate
+c1cc(ccc1C(F)(F)F)OC2CCNCC2	U8Q	4-[4-(trifluoromethyl)phenoxy]piperidine
+c1cc2c(cc1Br)C(=O)CC3(O2)CCNCC3	U8T	6-bromanylspiro[3~{h}-chromene-2,4'-piperidine]-4-one
+CNCC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U8U	5-methylaminomethyl-2-thiouridine-5'-monophosphate
+CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	U8V	6-o-butanoyl-alpha-d-glucopyranose
+C([C@H]([C@H]([C@@H](C(COP(=O)(O)O)O)O)O)O)S(=O)(=O)O	U8W	(2~{s},3~{s},4~{r})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid
+C(/C(=C\OP(=O)(O)O)/O)O	U8Z	[(~{e})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate
+Cc1c(c(nn1C)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F	U91	1,5-dimethyl-3-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide
+COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)[C@@H]([C@H](C(=O)O)O)O	U94	4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-l-arabinonic acid
+c1cc(c(c(c1)Cl)c2c(c(on2)c3ccc[nH]3)COc4ccc(cc4)C(=O)O)C(F)(F)F	U95	4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
+[C@H]1([C@@H]([C@@H](O[C@@H]([C@H]1OS(=O)(=O)O)O)C(=O)O)O)O	U97	2-o-sulfo-beta-l-galactopyranuronic acid
+c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F	U98	2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide
+[C@H]1([C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O)NS(=O)(=O)O	U9A	[(2r,3r,4r,5r,6r)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2h-pyran-3-yl]sulfamic acid
+c1ccc(cc1)C[N@@H+]2CCP(=O)([C@](C2)(CCCC[NH3+])C(=O)O)O	U9B	(1r,3s)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide
+COC[C@@H]1C[C@@H]([C@H](C(O1)O)OC)OC	U9D	4-deoxy-2,3,6-tri-o-methyl-alpha-d-xylo-hexopyranose
+CCc1c(c([nH]c1c2cccc3c2cc[nH]3)C(=O)O)c4ccccc4Cl	U9E	3-(2-chlorophenyl)-4-ethyl-5-(1~{h}-indol-4-yl)-1~{h}-pyrrole-2-carboxylic acid
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)O)O	U9G	2,3-di-o-methyl-6-o-sulfo-alpha-d-glucopyranose
+c1c(cncc1F)N2C(=O)C3(CC(C3)C4CCC4)NC2=O	U9H	2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
+CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(O)O)O	U9J	(2r,3r,4s,5s,6r)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2h-pyran-2,5-diol
+Cn1cncc1c2cc(ccc2C[N@@H+]3CCP(=O)([C@](C3)(CCCC[NH3+])C(=O)O)O)F	U9K	(1r,3s)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1h-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide
+CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)O)C(O)O)O	U9M	(2r,3r,4s,5s,6s)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2h-pyran-2,5-diol
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC	U9N	[(2~{s})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate
+[C@@H]1([C@H](O1)C(=O)O)C(=O)O	U9S	(2r,3s)-oxirane-2,3-dicarboxylic acid
+CC1CCN(CC1)C(=O)NCCc2ccccc2F	U9T	~{n}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
+CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCC	U9V	pentadecyl(tetradecyl)peroxyanhydride
+CC1CCN(CC1)C(=O)Nc2ccc(cc2)Cl	U9W	~{n}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
+CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4cccc(c4Cl)Cl)N	U9Y	1-[3-(2,3-dichlorophenyl)-1h-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
+CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F	U9Z	4-methyl-~{n}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)NS(=O)(=O)O)C(=O)NC	UA1	n-(tert-butoxycarbonyl)-l-tyrosyl-n-methyl-4-(sulfoamino)-l-phenylalaninamide
+c1c(c2c([nH]1)c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O	UA2	3,4-pyrrolidinediol,2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2s,3s,4r,5r
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H](C(O2)CO)OP(=O)(O)O)O	UA3	uracil arabinose-3'-phosphate
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)[C@](O3)(C)c4cc(cc(c4)F)F)CCCOC	UA4	(2s)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2h-1,4-benzoxazin-3(4h)-one
+CCc1ccc(cc1)NS(=O)(=O)O	UA5	(4-ethylphenyl)sulfamic acid
+c1ccc2c(c1)C[C@H](C[C@H]2C3=C(c4ccccc4OC3=O)O)c5ccc(cc5)c6ccc(cc6)Br	UA7	brodifacoum
+CC1CCN(CC1)C(=O)NC2CCCCCC2	UA8	~{n}-cycloheptyl-4-methyl-piperidine-1-carboxamide
+C1=C(NC(=O)NC1=O)CC(=O)O	UAA	uracil-6-acetic acid
+CC1CCN(CC1)C(=O)NCCCCc2ccccc2	UAB	4-methyl-~{n}-(4-phenylbutyl)piperidine-1-carboxamide
+C1[C@@H]([C@@H]([C@H]([C@@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O	UAD	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2s,3r,4s,5s)-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+CC1CCN(CC1)C(=O)NC2CCCCC2	UAE	~{n}-cyclohexyl-4-methyl-piperidine-1-carboxamide
+C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	UAG	uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine-d-glutamate
+Cc1c(cc(cn1)COP(=O)(O)O)O	UAH	(5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+c1ccc(cc1)[C@H](c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O	UAJ	chlorophacinone
+CC1CCN(CC1)C(=O)N[C@H](C)c2ccccc2	UAK	4-methyl-~{n}-[(1~{r})-1-phenylethyl]piperidine-1-carboxamide
+C(=C(/C(=O)O)\N)\NC(=O)N	UAL	(2z)-2-amino-3-(carbamoylamino)prop-2-enoic acid
+CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C(=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N)N)O)O	UAM	amicoumacin a
+CNC1=Nc2c(ncn2C)C(=O)N1	UAN	9-methyl-2-(methylamino)-1h-purin-6-one
+C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)C(=O)O	UAP	4-deoxy-2-o-sulfo-alpha-l-threo-hex-4-enopyranuronic acid
+CC1CCN(CC1)C(=O)NCc2ccco2	UAQ	~{n}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	UAR	uracil arabinose-5'-phosphate
+c1ccc(cc1)C2C(=O)c3ccccc3C2=O	UAS	phenindione
+CC1CCN(CC1)C(=O)NCc2ccccc2	UAT	4-methyl-~{n}-(phenylmethyl)piperidine-1-carboxamide
+C[C@H]1C(=O)c2ccccc2C(=O)[C@]1(C/C=C(\C)/CCC[C@@H](C)CCCC(C)CCCC(C)C)O	UAV	(2r,3r)-2-hydroxy-3-methyl-2-[(2e,7s)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione
+CC1CCN(CC1)C(=O)Nc2ccc(cc2)O	UAW	~{n}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide
+[H]/N=C\1/c2c(cc(s2)c3ccccc3)C(=O)NC1=O	UAY	7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5h,7h)-dione
+CC1CCN(CC1)C(=O)Nc2ccc(cc2)OC	UAZ	~{n}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide
+CC1=CN(C(=O)N(C1=O)Cc2c(c(sc2C(=O)O)Br)Br)C[C@@H](C(=O)O)N	UB1	3-({3-[(2s)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)-4,5-dibromothiophene-2-carboxylic acid
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C)N[P@](=O)(CNC(=O)OCc1ccccc1)O	UB2	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-alanyl-l-leucine
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N[P@](=O)(CNC(=O)OCc1ccccc1)O	UB3	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-valyl-l-leucine
+c1ccc2c(c1)nc(s2)CC[C@@H](C(=O)O)N	UB4	(2s)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid
+CCCCCNC(=O)N1CCC(CC1)C	UB5	4-methyl-~{n}-pentyl-piperidine-1-carboxamide
+c1cc(ccc1C(=O)O)C(=O)O	UB7	terephthalic acid
+CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)C[C@@H](C(=O)O)N	UBA	(s)-1-(2-amino-2-carboxyethyl)-3(2-carboxythiophene-3-yl-methyl)-5-methylpyrimidine-2,4-dione
+C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=O)NC2=O	UBB	2',3'-dideoxy-uridine-5'-monophosphate
+c1ccc(c(c1)CN2C(=O)C=CN(C2=O)C[C@@H](C(=O)O)N)C(=O)O	UBC	(s)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)pyrimidine-2,4-dione
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)O	UBD	uridine 3',5'-bis(dihydrogen phosphate)
+CC1=CN(C(=O)N(C1=O)Cc2cc(sc2C(=O)O)c3ccccc3)C[C@@H](C(=O)O)N	UBE	3-({3-[(2s)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)-5-phenylthiophene-2-carboxylic acid
+c1csc(c1CN2C(=O)C(=CN(C2=O)C[C@@H](C(=O)O)N)Br)C(=O)O	UBF	3-({3-[(2s)-2-amino-2-carboxyethyl]-5-bromo-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)thiophene-2-carboxylic acid
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O)O	UBG	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
+CC(C)CNC(=O)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	UBI	2'-deoxy-5-[(2-methylpropyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
+C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	UBM	coenzyme f420-4
+CCCCCCCCNC(=O)N1CCC(CC1)C	UBN	4-methyl-~{n}-[(~{e})-oct-5-enyl]piperidine-1-carboxamide
+C1=CN(C(=O)N(C1=O)CCC(=O)O)C[C@@H](C(=O)O)N	UBP	3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl]-l-alanine
+CCCCCCCCCCCNC(=O)[N+]1CCC(CC1)C	UBQ	4-methyl-~{n}-undecyl-pyridine-1-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O	UBR	5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate)
+CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	UBS	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-valine
+CC(C)C[C@@H](C(=O)NCC(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	UBT	n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucylglycine
+CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBU	n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-ethyl-l-leucinamide
+CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBV	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-isoleucine
+CCC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBW	n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-norvaline
+CC(C)C[C@@H](C(=O)NC)NP(=O)(CNC(=O)OCc1ccccc1)O	UBX	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-methyl-l-leucinamide
+C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBY	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-alanine
+CC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBZ	(2s)-2-({n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl}amino)butanoic acid
+Cc1c(cco1)C(=S)Nc2ccc(c(c2)OCC=C(C)C)Cl	UC1	2-methyl-furan-3-carbothioic acid [4-chloro-3-(3-methyl-but-2-enyloxy)-phenyl]-amide
+Cc1c(cco1)C(=S)Nc2ccc(c(c2)\C=N\OC(C)(C)C)Cl	UC2	n-[4-cloro-3-(t-butyloxome)phenyl-2-methyl-3-furan-carbothiamide
+CC(C)OC(=O)c1cc(ccc1Cl)NC(=S)OC(C)C	UC3	1-methyl ethyl 2-chloro-5-[[[(1-methylethoxy)thiooxo]methyl]amino]-benzoate
+CC1=C(SCCO1)C(=O)Nc2ccc(c(c2)C(=O)OC(C)C)Cl	UC4	1-methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(CP(=O)(O)O)O)O	UC5	2'-deoxy-5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)C(=O)NC)c6ccccc6	UC8	~{n}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{h}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
+CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)C(=O)O	UC9	4-{6-[(2s)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2h-1,3-benzodioxol-4-yl}benzoic acid
+C[C@]12CCC(=O)[C@H]([C@@H]1CCC2=O)CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O	UCA	s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3as,4s,7as)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate
+CC[N+]1(CCC(CC1)NC(=O)C2c3cc(ccc3Oc4c2cc(cc4)Cl)Cl)CC5CCCCCC5	UCB	1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9h-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium
+CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	UCC	s-{(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)O)O	UCD	(4s,5r,6r)-6-((2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-4-yloxy)-4,5-dihydroxy-5  ,6-dihydro-4h-pyran-2-carboxylic acid
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)CO)c6ccccc6	UCE	~{n}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N	UCG	3'-o-[(r)-{[(2r,3ar,4r,6r,6ar)-6-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate)
+CC(C)OP(=O)(C)O	UCJ	propan-2-yl hydrogen (s)-methylphosphonate
+c1ccc(c(c1)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)Cl)O)Cl	UCK	(2s,4r)-1-(2-chlorophenyl)carbonyl-n-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)COP(=O)(O)O)O	UCL	5-chloro-2'-deoxyuridine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)c3c4c(c5c6ccccc6n7c5c3n2[C@H]8CC[C@@H]7O8)C(=O)NC4=O	UCM	rel-(9r,12s)-9,10,11,12-tetrahydro-9,12-epoxy-1h-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-1,3(2h)-dione
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N[C@@H]8O)NC)OC	UCN	7-hydroxystaurosporine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O	UCP	phosphomethyl phosphonic acid deoxyuridylate ester
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=C)(=O)O)NC(=O)OCc2ccccc2	UCS	n~2~-[(benzyloxy)carbonyl]-n-[(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-(trimethyl-lambda~4~-sulfanyl)propan-2-yl]-l-leucinamide
+CC(C)[C@@H](CNC(=O)N)N	UCV	1-[(2~{s})-2-azanyl-3-methyl-butyl]urea
+CC(C)(C)OC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	UCW	tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate
+CC1(CCC[C@@H]1O[P@H](=O)C)C	UCY	(1s)-2,2-dimethylcyclopentyl (r)-methylphosphinate
+CC(C)(C)[C@@H](/C(=C\c1ccc(cc1)Cl)/n2cncn2)O	UCZ	(1e,3s)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1h-1,2,4-triazol-1-yl)pent-1-en-3-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)C(=O)O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]3[C@@H]([C@@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O	UD0	(2s,3s,4r,5r,6r)-5-(acetylamino)-6-{[(s)-{[(s)-{[(2s,3r,4s,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2h-pyran-2-carboxylic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	UD1	uridine-diphosphate-n-acetylglucosamine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	UD2	uridine-diphosphate-n-acetylgalactosamine
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N	UD4	udp-2-acetamido-4-amino-2,4,6-trideoxy-alpha-d-glucopyranose
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O)F	UD5	5-fluorouridine
+CC(=O)C[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	UD6	[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate
+C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O	UD7	[(2r,3r,4r,6r)-3-acetamido-6-methyl-4-oxidanyl-5-oxidanylidene-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CC1(O[C@H]2CN(C[C@H]([C@@H]2O1)O)CCCCCCn3cc(nn3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C	UD8	n-((1-(6-((3ar,7r,7as)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4h)-yl)hexyl)-1h-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	UD9	(2r,3s,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O[C@](C)(C(=O)O)OP(=O)(O)O	UDA	3'-1-carboxy-1-phosphonooxy-ethoxy-uridine-diphosphate-n-acetylglucosamine
+CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2cc(cc(c2)F)F	UDB	(s)-n-(cyclopentylmethyl)-2-(3-(3,5-difluorophenyl)ureido)-n-(2-(hydroxyamino)-2-oxoethyl)-3,3-dimethylbutanamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O[C@@](C)([C@H](CO)O)C(=O)O	UDC	2-acetamido-3-o-[(2s,3s)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-d-glucopyranose
+c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F	UDD	n-[4-(trifluoromethyl)phenyl]-n-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNC(=O)Nc4cccc(c4)S(=O)(=O)N	UDE	3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-3-yl)-1h-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide
+CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	UDG	(2r,3r,4r,5s,6r)-2-{[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3r)-3-hydroxytetradecanoyl]amino}tetrahydro-2h-pyran-4-yl (3r)-3-hydroxytetradecanoate 
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O	UDH	6-aminohexyl-uridine-c1,5'-diphosphate
+C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C	UDJ	(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one
+CC1CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O	UDK	(r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide
+CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	UDM	uridine-diphosphate-methylene-n-acetyl-glucosamine
+CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	UDN	uridine-diphosphate-methylene-n-acetyl-galactosamine
+c1cc(cnc1)[C@H](c2ccc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)(F)F	UDO	(s)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O	UDP	uridine-5'-diphosphate
+CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(cc3)CN4CCCCC4)O	UDQ	n-[[(3r)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
+Cc1cc(cc2c1OC(=O)N2C)/C(=C/CCCc3nnc(o3)C)/c4cc(c(c(c4)C(=O)SC)OC)C	UDR	(e)-s-methyl 5-(1-(3,7-dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate
+c1ccc2c(c1)cc(c(n2)C(=O)N[C@H](CO)C(=O)O)O	UDS	n-[(3-hydroxyquinolin-2-yl)carbonyl]-d-serine
+CCCCCCCCCCOC(=O)S	UDT	o-decyl hydrogen thiocarbonate
+Cc1nnc2n1-c3ccc(cc3C(=NC24CC4)c5ccc(cc5)Cl)c6cnn(c6)C	UDV	6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1h-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine]
+c1cc(cc(c1)S(=O)(=O)N)CNc2cc(ncn2)N3CCC[C@H](C3)CO	UDW	(s)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide
+C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O	UDX	uridine-5'-diphosphate-xylopyranose
+c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F	UDY	6-fluoranyl-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CN=[N+]=N)O)O	UDZ	[(2r,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylimino-azanylidene-azanium
+CC(C)(C(=O)[O-])O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CNC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)c3cc(c(cn3)O)O)C[C@H](CO)O)C=O	UE1	(4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2r)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1h-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate
+CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C	UE2	(r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide
+CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C	UE5	(r)-n-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide
+c1[nH]c2c(n1)C(=O)NC(=S)N2C[C@H]3CCCO3	UE8	2-sulfanylidene-3-[(2r)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6h-purin-6-one
+C([C@@H]1[C@@H]([C@H]([C@](O1)(CO)O)O)O)O	UEA	beta-d-sorbofuranose
+c1ccc(cc1)[C@H](c2ccccc2CN3c4cc[nH]c4C(=O)NC3=S)N	UEB	(s)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2	UED	n~2~-[(benzyloxy)carbonyl]-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)CCC6)O	UEE	(r)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-n-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide
+Cc1c(c(c(cn1)CO)CO)O	UEG	4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol
+CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C	UEH	(r)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-n-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide
+CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4c(ccc(c4CN5C(=O)c6ccccc6C5=O)O)F	UEJ	n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide
+c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)N)Cl	UEK	n-{5-[(3s,4r)-1-[(3r)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide
+c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F	UEN	n4-cyclohexyl-5-(4-fluorophenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+CCC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	UEP	6-ethyluridine 5'-phosphate
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6([C@H]5C7CC7)CCC6)O	UEQ	4-[[(3r)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3r)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+c1ccc(cc1)C[C@H](C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N)NS(=O)(=O)Cc3ccccc3	UET	n-(benzylsulfonyl)-d-phenylalanyl-n-(4-carbamimidoylbenzyl)glycinamide
+[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	UEV	(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(cc3)C(=O)NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O	UEW	n-(((r)-1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-(((s)-1-isopropyl-2-azaspiro[3.3]heptan-2-yl)methyl)benzamide
+c1ccc(cc1)C[C@H](c2ccccc2)c3cc(nc4c3nn[nH]4)N	UEY	7-[(1r)-1,2-diphenylethyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+CC1(CCN(CC1)Cc2ccc3c(c2)cccc3NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C	UEZ	(r)-1-(6-(benzylamino)pyrimidin-4-yl)-3-(((6-((4,4-dimethylpiperidin-1-yl)methyl)naphthalen-1-yl)amino)methyl)piperidin-3-ol
+CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCNC(=O)CO)O	UF0	o-[(r)-hydroxy{[(3r)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-l-serine
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	UF2	1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+CC(C)(C#Cc1cc2c(nc1)n(cn2)Cc3ccc4c(c3)OC[C@@H](O4)c5ccc(nc5)OC)N	UF4	4-(3-{[(2s)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3h-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine
+c1ccc(cc1)[C@@H]2C[C@@H](c3c2cccc3)NCC[C@H](c4ccccc4)c5cc(nc6c5nn[nH]6)N	UF7	7-[(1r)-1-phenyl-3-{[(1s,3s)-3-phenyl-2,3-dihydro-1h-inden-1-yl]amino}propyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+c1ccc2c(c1)Sc3cccc(c3S2)C4=CC(=O)C=C(O4)N5CCOCC5	UF8	2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one
+c1ccc(cc1)C2CCC(CC2)NCC[C@H](c3ccccc3)c4cc(nc5c4nn[nH]5)N	UFA	7-{(1r)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+CO[C@@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O	UFB	2'-f,4'-beta-ome uridine 5'-(dihydrogen phosphate)
+c1ccc(cc1)[C@@H](CCNC23CCC(CC2)(CC3)c4ccccc4)c5cc(nc6c5nn[nH]6)N	UFD	7-{(1r)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+C1=C2C(=C(C3=[N]2[Fe]45n6c1c(c(c6C=C7[N]4=C(C=C8N5C(=C3)C(=C8CCC(=O)O)CC(=O)O)C(=C7CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O	UFE	fe(iii) uroporphyrin
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)F)O)O)O)O	UFG	uridine-5'-diphosphate-4-deoxy-4-fluoro-alpha-d-galactose
+c1cc(c(cc1n2ccnc2)Br)C=O	UFH	2-bromanyl-4-imidazol-1-yl-benzaldehyde
+c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I	UFJ	n~1~-hydroxy-n~8~-(4-iodophenyl)octanediamide
+c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc6c(c5O[C@@H]([C@@H]4O)c7ccc(c(c7)O)O)[C@H]8c9c(cc(cc9O[C@]([C@@H]8O)(O6)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O	UFK	cinnamtannin b1
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	UFM	uridine-5'-diphosphate-mannose
+c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@@H]4[C@H]([C@H](OC5=C4[C@H](CC6=C5[C@H]7c8c(cc(cc8O[C@]([C@@H]7O)(O6)c9ccc(c(c9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O	UFN	modified form of cinnamtannin b1 with sp3 hybridized c5'
+CN1CCN(c2c1ccc(c2)CN)C	UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O	UFP	5-fluoro-2'-deoxyuridine-5'-monophosphate
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)S)O)O	UFQ	cytosine 5'-[gamma-thio]triphosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)O)O	UFR	2'-deoxy-5-formyluridine 5'-(dihydrogen phosphate)
+C#CCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(cc2)NC(=O)CCCCCCC(=O)NO	UFS	n~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-n~8~-hydroxyoctanediamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	UFT	2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)
+c1c(cc(c(c1N)N)Br)C(F)(F)F	UFV	3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
+Cc1cc(c(c(c1)C)N2C[C@@H](N(C2=[Au])c3c(cc(cc3C)C)C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C	UFW	 ((4s)-1,3-dimesityl-4-((5-((3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold
+B([C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O	UFY	n-[(1r)-1-borono-3-methylbutyl]-nalpha-(pyrazine-2-carbonyl)-d-phenylalaninamide
+c1ccc(cc1)C[NH3+]	UFZ	(phenylmethyl)azanium
+c1cnccc1n2cnc(c2N)C(=O)N	UG1	5-amino-1-(pyridin-4-yl)-1h-imidazole-4-carboxamide
+c1ccc(cc1)c2nccn2c3ccc(cc3)CO	UG2	[4-(2-phenylimidazol-1-yl)phenyl]methanol
+c1cc(cnc1)n2cnc(c2N)C(=O)N	UG4	5-amino-1-(pyridin-3-yl)-1h-imidazole-4-carboxamide
+c1cc(ccc1C=O)n2cc(nc2)C(F)(F)F	UG5	4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde
+c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CNC(=O)C4CNC4)C5CCN(CC5)S(=O)(=O)C(F)(F)F	UG7	n-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1h-indol-6-yl]methyl}azetidine-3-carboxamide
+c1cc(ccc1C=O)S(=O)(=O)N2CCCCC2	UG8	4-piperidin-1-ylsulfonylbenzaldehyde
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O	UGA	uridine-5'-diphosphate-glucuronic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O	UGB	(2s,3r,4s,5r,6r)-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
+[C@H](C(=O)O)(NC(=O)N)O	UGC	(2s)-(carbamoylamino)(hydroxy)ethanoic acid
+c1cc(cc(c1)O[C@@H]2CC(=O)N2)NC(=O)Cc3cncnc3	UGD	n-(3-{[(2r)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
+c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O	UGE	4-(3,4-dihydro-2~{h}-quinolin-1-ylsulfonyl)benzaldehyde
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)F)O)O)O)O	UGF	(2~{r},3~{s},4~{r},5~{r},6~{r})-6-[[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+c1ccc(cc1)NC(=O)Cc2cncc3c2cccc3	UGG	2-(isoquinolin-4-yl)-n-phenylacetamide
+C(CN)CNCCS	UGH	wr-1065
+c1c(c(cnc1N)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F	UGI	5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
+c1ccc(c(c1)c2c(c(nc3c2c(c(s3)C#N)N)N)C#N)Cl	UGJ	3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
+Cc1c(cn(n1)C)c2cc3c(cc2OC)ncc4c3N(C(=O)N4C)c5c(cncc5F)OC	UGK	8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one
+c1cc(cnc1)NC(=O)Cc2cc(cnc2)C#N	UGM	2-(5-cyanopyridin-3-yl)-n-(pyridin-3-yl)acetamide
+Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C	UGN	1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
+Cc1ccncc1NC(=O)Cc2cccc(c2)C#N	UGP	2-(3-cyanophenyl)-n-(4-methylpyridin-3-yl)acetamide
+Cc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2	UGQ	2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{h}-isoquinoline
+COc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2	UGS	n-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide
+c1cc(cc(c1)/N=C(\c2cccs2)/N)CO[C@@H]3CCNC3	UGT	n-[3-[[(3r)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide
+c1cc(cnc1)NC(=O)Cc2ccc(s2)Cl	UGV	2-(5-chlorothiophen-2-yl)-n-(pyridin-3-yl)acetamide
+CC(C)(C)c1ccc(c(c1)C(C)(C)C)O	UGW	2,4-di~{tert}-butylphenol
+CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2n1cc(c2)c3ccsc3	UGX	n-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide
+[C@H](C(=O)O)(N)NC(=O)N	UGY	(2s)-amino(carbamoylamino)ethanoic acid
+COc1cc(ccc1CNCCNS(=O)(=O)C)c2cccc(c2Cl)c3ccc4c(c3)OCCO4	UGZ	n-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide
+c1cc(cc(c1)C#N)CC(=O)Nc2cccnc2	UH1	2-(3-cyanophenyl)-n-(pyridin-3-yl)acetamide
+Cc1ccc(s1)NC(=O)Nc2cccnc2	UH4	n-(5-methylthiophen-2-yl)-n'-pyridin-3-ylurea
+c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OCCCN)CO)O)O	UH5	3-aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-d-mannopyranoside
+Cc1ccncc1NC(=O)Cc2cccc(c2)Cl	UH7	2-(3-chlorophenyl)-n-(4-methylpyridin-3-yl)acetamide
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)n2cc(nn2)c3cccnc3	UH8	methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-d-mannopyranoside
+Cc1ccncc1NC(=O)[C@H](C)c2cccc(c2)Cl	UHA	(2r)-2-(3-chlorophenyl)-n-(4-methylpyridin-3-yl)propanamide
+c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)CNC2=O	UHB	2-[4-[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-n-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide
+CCCCCCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O	UHD	6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione
+CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cn1)C	UHF	n-((2r,4s)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-n-hydroxyformamide
+C[C@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O	UHG	(2r)-2-(6-chloro-9h-carbazol-2-yl)propanoic acid
+C[C@H](CCC(=O)N)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(C=C[C@H](C4)O)C)O)O)C	UHH	(3alpha,5alpha,7alpha,8alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxychol-1-en-24-amide
+[H]/N=C/1\NC(=O)/C(=C/c2cc(cnc2)c3ccc(cc3)NS(=O)(=O)C)/S1	UHJ	n-[4-(5-{(z)-[(2e)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide
+c1ccc(c(c1)C(=O)NCc2cnsc2)OCC#N	UHM	2-(cyanomethoxy)-n-[(1,2-thiazol-4-yl)methyl]benzamide
+c1cc(ccc1C=O)S(=O)(=O)N2CCC(CC2)N3CCCC3	UHN	4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde
+CN(C)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UHQ	4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
+CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C	UHS	n-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-n-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
+CN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)C=O	UHT	~{n}-cyclohexyl-4-methanoyl-~{n}-methyl-benzenesulfonamide
+CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)Nc3ccc(cc3C)OC	UHV	n-(5-tert-butyl-1,2-oxazol-3-yl)-n-[(1r)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UHW	4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
+COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)F)N)N	UHX	6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3ccc(nc3)C(C)C)C(=O)CC)C	UHY	n-[(1r)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-n-[6-(propan-2-yl)pyridin-3-yl]propanamide
+CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O	UHZ	(5-methanoyl-2-nitro-phenyl) methanesulfonate
+c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)Nc4ccc(cc4)CN	UI1	6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-4-(pyrimidin-2-ylamino)-2-naphthamide
+c1cc2ccc(cc2c(c1)Nc3ncccn3)C(=N)N	UI2	8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide
+[H]/N=C(/c1ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)\N	UI3	7-methoxy-8-[1-(methylsulfonyl)-1h-pyrazol-4-yl]naphthalene-2-carboximidamide
+C[C@H](CN)NC(=O)O	UIA	[(2~{r})-1-azanylpropan-2-yl]carbamic acid
+CC[C@@H]1[C@@H]2[C@@H]([C@@H]([N@](C2(C)C)C)c3ccc(cc3)C(=N)N)C(=O)N1Cc4ccc5c(c4)OCO5	UIB	(1r,3as,4r,8as,8br)-4-{5-(phenyl[1,3]dioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxo-octahydro-pyrrolo[3,4-c]pyrrol-1-yl}-benzamidine
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)c4ccc(cc4)CO	UIC	(3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl {(1s,2r)-1-benzyl-2-hydroxy-3-[{[4-(hydroxymethyl)phenyl]sulfonyl}(isobutyl)amino]propyl}carbamate
+c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N	UIH	6-(4-bromophenyl)-5-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+CC(C)C[C@H](CN)NC(=O)O	UIL	[(2~{r})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid
+CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=O)O	UIN	5,6,7,8,9,10-hexahydro-4-hydroxy-3-(1-phenylpropyl)cycloocta[b]pyran-2-one
+CC[C@@H]1[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C(=O)N1Cc4ccc5c(c4)OCO5)c6ccc(cc6)C(=N)N	UIP	(1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-ethyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine
+[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C(C)C)\N	UIQ	(1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-isopropyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine
+c1cc(ccc1[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C7CC7)C(=N)N	UIR	(1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-yl-1-cyclopropyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine
+[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@@H](N(C3=O)Cc5ccc6c(c5)OCO6)Cc7ccccc7)\N	UIZ	(1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl)-1-benzyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrozilin-4-yl-benzamidine
+CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3cc([nH]n3)C(C)(C)C)C(=O)CC)C	UJ1	n-(5-tert-butyl-1h-pyrazol-3-yl)-n-[(1r)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+CO[C@@H](c1ccc(cc1)c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O	UJ2	2-[(~{s})-methoxy-(4-phenylphenyl)methyl]-3~{h}-benzimidazole-5-carboxylic acid
+CCC(=O)N(c1ccc(cc1)[C@H](C)OC)[C@H](c2cccnc2)C(=O)Nc3ccc(cc3C)OC	UJ4	n-{4-[(1s)-1-methoxyethyl]phenyl}-n-[(1r)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+CC(C)c1ccc(cc1)[C@@H](c2[nH]c3cc(ccc3n2)C(=O)O)OC	UJ5	2-[(~{s})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{h}-benzimidazole-5-carboxylic acid
+c1ccc2c(c1)[C@@H](C(=O)N2)Cc3ccc4c(c3C(=O)O)OCO4	UJ6	5-{[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid
+C[C@@H]1[C@@H](OC(=N1)N2CCN([C@@H](C2)C(=O)NCc3cccs3)C(=O)[C@@H](CC4CCCCC4)NC5CCCCC5)c6ccccc6	UJ7	(2s)-1-(n,3-dicyclohexyl-d-alanyl)-4-[(4r,5s)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-n-[(thiophen-2-yl)methyl]piperazine-2-carboxamide
+CC(C)c1ccc(cc1)[C@@H](c2[nH]c3ccccc3n2)O	UJ8	(~{s})-1~{h}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol
+c1cc(sc1)CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC3CCCCC3)NC4CCCCC4)c5nc6cc(ccc6o5)Cl	UJA	(2s)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(n,3-dicyclohexyl-d-alanyl)-n-[(thiophen-2-yl)methyl]piperazine-2-carboxamide
+C[C@@H]1COC[C@H](N1C2=CC(=O)N3CC[C@H](N(C3=N2)Cc4ccc(s4)Cl)C(F)(F)F)C	UJB	(2s)-1-[(5-chloro-2-thienyl)methyl]-8-[(3r,5r)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2h-pyrimido[1,2-a]pyrimidin-6-one
+C1CSC(S1)C(=O)O	UJD	1,3-dithiolane-2-carboxylic acid
+C1CNC[C@H]1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	UJE	5-((3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)-n-((s)-pyrrolidin-3-yl)pentanamide
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)[C@H]7CCCS7	UJG	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-{7,8-dimethyl-2,4-dioxo-5-[(2r)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
+CON1C=CC(=O)c2c1cccc2	UJH	1-methoxy-4-oxoquinoline
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C7SCCS7	UJJ	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[5-(1,3-dithiolan-2-yl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+Cc1ccccc1n2cc(nn2)C(=O)O	UJK	1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid
+C1C[C@H](SC1)C(=O)O	UJM	(2s)-thiolane-2-carboxylic acid
+c1ccc(cc1)COC2[C@@H]([C@H](C([C@@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O	UJN	[oxidanyl-[(2s,3r,5s,6s)-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid
+C1C[C@@H](SC1)C(=O)O	UJP	(2r)-thiolane-2-carboxylic acid
+c1ccc2c(c1)C(c3ccccc3O2)C(=O)O	UJQ	9~{h}-xanthene-9-carboxylic acid
+[H]/N=C(\c1cc(c(s1)CCN)c2ccccc2)/N	UJW	5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide
+c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F	UJZ	4-bromanyl-6-(trifluoromethyl)-1~{h}-benzimidazole
+CCC[C@@H](C1=NOC(=O)N1)n2c3ccc(cc3cc2C(=O)N4CCc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=CN(C7=O)c8ccc9c(c8F)cnn9C)[C@@H]4C)N1CCOC(C1)(C)C	UK1	3-{(1s)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4h)-one
+B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O	UK2	(4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron
+c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(cc5n4C[C@@H]6CCO6)C(=O)O	UK4	2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2s)-oxetan-2-yl]methyl}-1h-benzimidazole-6-carboxylic acid
+c1ccc2c(c1)C(=O)C=CN2O	UK5	1-oxidanylquinolin-4-one
+c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO	UK7	3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1h-indol-3-yl]benzene-1-carbothioamide
+c1cc(c(c(c1)Cl)c2c(c(on2)c3c[nH]nc3)COc4ccc(cc4)C(=O)O)C(F)(F)F	UK8	4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
+CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCC(c4ccccc4)c5ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7)O)O	UKA	6-(2,2-diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-n-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide
+c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4ccc(c(c4)F)C(=O)O)C(F)(F)F	UKB	4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid
+CCN1c2c(cccn2)-c3ncc(n3-c4c1nc(cc4)OC)C	UKC	8-ethyl-6-methoxy-3-methyl-8h-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene
+c1c(nnn1C[C@@H](C(=O)O)N)P(=O)(O)O	UKD	3-(4-phosphono-1h-1,2,3-triazol-1-yl)-l-alanine
+COc1ccc2c(c1)nc(o2)C(=O)O	UKE	5-methoxy-1,3-benzoxazole-2-carboxylic acid
+B(c1ccc(cc1)[N+](=O)[O-])(O)O	UKH	p-nitrophenylboronic acid
+c1cc(c(cc1S(=O)(=O)C(F)F)[N+](=O)[O-])Oc2cc(cc(c2)Br)F	UKJ	1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene
+c1ccc(cc1)Oc2ccc(cn2)N	UKK	6-phenoxy-3-pyridinamine
+CCC[C@H](O)S(=O)(=O)O	UKM	(1r)-1-hydroxybutane-1-sulfonic acid
+CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)N3CCN(CC3)C(=O)CCN)C(C)C	UKP	[2,4,6-triisopropyl-phenylsulfonyl-l-[3-amidino-phenylalaninyl]]-n'-beta-alaninyl-piperazine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2[C@H]1O2)O)O)O)O	UKQ	(1r,6s)-5beta-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol
+B([C@H](CCCc1ccccc1)NC(=O)[C@@H](CCC)NC(=O)c2cnccn2)(O)O	UKS	[(1r)-4-phenyl-1-{[n-(pyrazine-2-carbonyl)-d-norvalyl]amino}butyl]boronic acid
+C1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O	UKT	(1r,2r,3r,4s,5r)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol
+COc1cccc(c1)/C=C\2/C(=O)NC(=S)S2	UKV	(5z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O	UKW	4-ethynyl-n-[(1s,2r)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide
+c1c(n(nn1)C[C@@H](C(=O)O)N)P(=O)(O)O	UKY	3-(5-phosphono-1h-1,2,3-triazol-1-yl)-l-alanine
+CCC[C@H]([C@H](c1cccc(c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3	UKZ	n-((1s,2r)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide
+COc1ccc(cc1OC)/C=C\2/C(=O)NC(=S)S2	UL1	(5z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+CCC[C@H]([C@H](c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(=O)O3	UL2	n-((1s,2r)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide
+CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)C	UL4	3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid
+C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3	UL5	~{n}2-methyl-~{n}4-[(1~{s},2~{s})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide
+c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)Cl	UL7	1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol]
+CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)O[C@@H](C)c3ccccc3	UL8	~{n}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{s})-1-phenylethoxy]benzamide
+C[C@H]1CC(=O)CCC[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C\C=C\c2nc(co2)-c3nc(co3)-c4nc1co4)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@@H](C)[C@H]([C@H](C)C=C[N@](C)CO)OC(=O)C)OC)O	ULA	ulapualide a
+Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3	ULB	3-methyl-5-(2-phenylmethoxyphenyl)-4~{h}-1,2,4-triazole
+c1cc(c2c(c1OC3CC(C3)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)(F)F	ULD	cis-3-({(1s)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1h-inden-4-yl}oxy)cyclobutane-1-carbonitrile
+C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3CC3	ULE	~{n}4-cyclopropyl-~{n}2-methyl-6-[(1~{s})-1-phenylethyl]pyridine-2,4-dicarboxamide
+C1[C@H]([C@@H]2[C@@H]([C@]1(O[C@H]2N3C=CC(=O)NC3=O)COP(=O)(O)O)O)F	ULF	[(1r,3r,4r,5r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-5-fluoro-7-hydroxy-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+c1cc(c2c(c1C(F)(F)F)[C@@H](CC2)O)Oc3cc(cc(c3)F)F	ULG	(1r)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1h-inden-1-ol
+C[C@H](c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC3	ULH	~{n}5-cyclopropyl-~{n}3-methyl-2-oxidanylidene-1-[(1~{r})-1-phenylethyl]pyridine-3,5-dicarboxamide
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	ULI	tetracontane
+COc1ccc(c(c1)NC(=O)c2c(n(nn2)Cc3ccc(cc3F)Br)N)OC	ULJ	5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-n-(2,5-dimethoxyphenyl)-1h-1,2,3-triazole-4-carboxamide
+C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)[C@H](c3ccccc3)O	ULK	~{n}2-methyl-~{n}4-[(1~{s},2~{s})-2-methylcyclopropyl]-6-[(~{s})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide
+c1c(c2c(c(n1)C(F)(F)F)[C@@H]([C@@H](C2)F)O)OC3CC(C3)(F)F	ULM	(6r,7s)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5h-cyclopenta[c]pyridin-7-ol
+C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4	ULN	~{n}2-methyl-~{n}4-[(1~{r},5~{s})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{s})-1-phenylethyl]pyridine-2,4-dicarboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)C(=O)O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O	ULP	(2s,3s,4r,5r,6r)-5-(acetylamino)-6-{[(r)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2h-pyran-2-carboxylic acid (non-preferred name)
+CNC(=O)c1cc(cc(n1)[C@H](c2ccccc2)OC)C(=O)NC3[C@H]4[C@@H]3COC4	ULQ	6-[(~{s})-methoxy(phenyl)methyl]-~{n}2-methyl-~{n}4-[(1~{s},5~{r})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
+c1c(cc(cc1Oc2cnc(c3c2CC[C@H]3O)C(F)(F)F)F)C#N	ULS	3-fluoro-5-{[(7r)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5h-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile
+c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4ccc(cc4)C(=O)O)C(F)(F)F	ULT	4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
+c1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5COC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F	ULV	4-{8-amino-3-[(6r,8as)-3-oxohexahydro-3h-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+CC(C)CCC/C(=C\CC/C(=C\COC(=O)CCN1C(=O)CCC1=O)/C)/C	ULW	[(2~{z},6~{z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate
+COc1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5CCC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F	ULY	4-{8-amino-3-[(6r,8as)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+c1cc2c(cc1Br)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4	ULZ	4-[4-[2-(5-bromanyl-1~{h}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
+C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	UM0	(2s)-2-[[(2r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid
+C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CN	UM1	(2r)-2-[[(2r)-2-(2-aminoethanoylamino)propanoyl]amino]propanoic acid
+CCCCNC(=O)[C@H](C)N	UM2	(2s)-2-amino-n-butyl-propanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O	UM3	2'-deoxyuridine 3'-monophosphate
+c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(F)F)OC3CC3)c4c5c(nccn5c(n4)[C@@H]6CC[C@H]7CCC(=O)N7C6)N	UM4	4-{8-amino-3-[(6r,8as)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3ccccn3	UM5	n-ethyl-3-(1-methyl-1h-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
+COC(=O)[C@@H]1CCCNN1	UM7	methyl (3s)-hexahydropyridazine-3-carboxylate
+Cn1cc(nn1)c2cc(cc(n2)Cc3ccccc3)C(=O)NC4CC4	UM8	2-benzyl-n-cyclopropyl-6-(1-methyl-1h-1,2,3-triazol-4-yl)isonicotinamide
+C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	UMA	uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine
+CNC(=O)c1cc(cc(n1)Cc2ccccc2)C(=O)NC3CC(C3)O	UMB	6-benzyl-n4-((1r,3r)-3-hydroxycyclobutyl)-n2-methylpyridine-2,4-dicarboxamide
+C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	UMC	2'-deoxy-5'-uridylic acid
+CCNC(=O)c1cc(nc(c1)C(C)c2ccccc2)c3cn(nn3)C	UME	n-ethyl-2-(1-methyl-1h-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)F	UMF	2'-fluoro-2'-deoxyuridine 3'-monophosphate
+CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C	UMG	methyl-umbellifertl-n-acetyl-chitotriose
+COc1ccc2c(c1)cc(cn2)C(=O)O	UMH	6-methoxyquinoline-3-carboxylic acid
+CC(C)(C)c1cc(n(n1)Cc2ccccc2)C(=O)O	UMJ	1-benzyl-3-tert-butyl-1h-pyrazole-5-carboxylic acid
+c1cc(ccc1C2(CCNCC2)O)Br	UMK	4-(4-bromophenyl)piperidin-4-ol
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	UML	uridine 5'diphospho n-acetyl muramoyl-l-alanyl-d-glutamyl-l-lysine
+CC(C)[C@@H](C(=O)N[C@H]1Cc2cccc(c2)OCCCCOC(=O)[C@@H]3CCCN(C1=O)N3)NC(=O)OC(C)(C)C	UMM	tert-butyl [(2s)-1-{[(3s,17s)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate
+c1ccc2c(c1)CC[C@]2(CO)NC(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl	UMN	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide
+CO[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O	UMO	2'-f-4'-ome u
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	UMP	2'-deoxyuridine 5'-monophosphate
+CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	UMQ	undecyl-maltoside
+C[Se][C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	UMS	2'-methylselenyl-2'-deoxyuridine-5'-phosphate
+c1ccc2c(c1)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4	UMT	4-[4-[2-(1~{h}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC(=O)OC)C#N	UMV	methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate
+CC(C)(CN1CC[C@@H](C1)N)O	UMW	1-[(3~{s})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol
+C[C@H]1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	UMX	[(1r,3r,4r,5s,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)F)C#N	UMY	7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile
+c1ccc2c(c1)c(c[nH]2)CCc3ccncn3	UMZ	3-(2-pyrimidin-4-ylethyl)-1~{h}-indole
+C(C[C@@H](C(=O)O)N)CC(=O)O	UN1	2-aminohexanedioic acid
+C([C@@H](C(=O)O)N)C(O)O	UN2	2-amino-4,4-dihydroxybutanoic acid
+Cn1c(cc(n1)c2ccccc2)NS(=O)(=O)O	UN3	(2-methyl-5-phenyl-2h-pyrazol-3-yl)-sulfamic acid
+c1[nH]c2c(n1)c(nc(n2)N)OC[C@H]3CCC(=O)N3	UN4	5-{[(2-amino-9h-purin-6-yl)oxy]methyl}-2-pyrrolidinone
+CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)NS(=O)(=O)O)NS(=O)(=O)O	UN5	{3(s)-methylcarbamoyl-2-[3-(3-sulfoamino-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-7-yl}-sulfamic acid
+c1cc(cc(c1)NS(=O)(=O)O)CCC(=O)NCc2cccc(c2)NS(=O)(=O)O	UN6	(3-{[3-(3-sulfoamino-phenyl)-propionylamino]-methyl}-phenyl)-sulfamic acid
+CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)O	UN7	3-[3-(3(s)-methylcarbamoyl-7-sulfoamino-3,4,-dihydro-1h-isoquinolin-2-yl)-3-oxo-propyl]-benzoic acid
+CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NS(=O)(=O)c4cn(cn4)C)C(=O)N(C1=O)Cc5ccccc5F	UN8	n-(4-{[3-butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl]methyl}phenyl)-1-methyl-1h-imidazole-4-sulfonamide
+c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O	UN9	n-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine
+CCCCCCCCCCC=O	UNA	undecanal
+[H]/N=C(\c1ccc(cc1)CNC(=O)Cc2c(ccc(c2O)NS(=O)(=O)c3cccc4c3cccc4)C)/N	UNB	n-(4-carbamimidoyl-benzyl)-2-[2-hydroxy-6-methyl-3-(naphthalene-1-sulfonylamino)-phenyl]-acetamide
+C1(=C(NC(=O)NC1=O)[N+](=O)[O-])N	UNC	5-amino-6-nitropyrimidine-2,4(1h,3h)-dione
+CCCCCCCCCCC	UND	undecane
+COc1cc(cc2c1oc(c2)C(=O)O)Br	UNE	5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid
+CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C2CCCCC2)NC(=O)OCC(C)C	UNH	({1-[1-carbamoyl-phenyl-methyl)-carbamoyl]-methyl}-aminooxalyl)-butylcarbamoyl)-3-methyl-butylcarbamoyl)-cyclohexyl-methyl)-carbamic acid isobutyl ester
+c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)C#N)[C@H](C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O	UNI	4-cyano-n-(3-cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-cycloocta[b]pyran-3-yl)methyl)phenyl benzensulfonamide
+c1cc2c(cc1Br)cc(o2)C(=O)O	UNJ	5-bromo-1-benzofuran-2-carboxylic acid
+CC[C@@H](C(=O)O)N	UNK	unknown
+	UNL	unknown ligand
+c1c2cc(oc2c(cc1Br)NC3CCC(CC3)N)C(=O)O	UNM	7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid
+C[C@@H](C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F	UNN	(6,7-difluoro-quinazolin-4-yl)-(1-methyl-2,2-diphenyl-ethyl)-amine
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O	UNP	5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine
+c1cc2c(cc1c3cncc(n3)NC4CCC(CC4)N)cc(o2)C(=O)O	UNQ	5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid
+C[n+]1cccc(c1)CC(O)(P(=O)(O)O)P(=O)(O)O	UNR	3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium
+Cc1cc(c(c2c1ccc(c2)C#N)C)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F	UNS	7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
+Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4nccn4	UNT	(2s)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2h-1,2,3-triazol-2-yl)propanoic acid
+c1ccc(cc1)C(=O)N	UNU	benzamide
+c1cc2c(nc1)CC(C2)(P(=O)(O)O)P(=O)(O)O	UNV	6,7-dihydro-5h-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)
+c1ccc2c(c1)CCCN(C2)C(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl	UNW	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{h}-isoindol-1-one
+*	UNX	unknown atom or ion
+C[C@@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C	UNY	(2~{r})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+C[C@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C	UNZ	(2~{s})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O	UO1	n-(1-acetyl-1h-indol-3-yl)-n-(5-hydroxy-2-methylphenyl)acetamide
+C[C@@H](C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N	UO2	(2~{s})-2-azanyl-~{n}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{h}-indazol-5-yl]propanamide
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC5CC5)C#N	UO4	5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile
+c1ccc2c(c1)CCN(CC2)C(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl	UO5	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{h}-isoindol-1-one
+C[C@@H]1c2ccc3cnc(cc3c2)/C=C/CC(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C	UO7	(2r,5s,11s,14s,18e)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
+c1nc2c(n1C3CCCCC3)NC(=NC2=S)N	UO8	2-azanyl-9-cyclohexyl-3~{h}-purine-6-thione
+CO[C@@H]1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O	UOA	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)
+CO[C@@H]1[C@@H]([C@@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O	UOB	2'-ome,4'beta-ome uridine 5'-(dihydrogen phosphate)
+CCCCCCCCCC(=O)C	UOC	undecan-2-one
+C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C)(C)C	UOD	(2r,5s,11s,14s,18e)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
+C[C@H](C(=O)N[C@H](CO)c1cccc(n1)N2CCN(CC2)C)N3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl	UOE	(2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide
+C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C(C)C)(C)C	UOG	(2r,5s,11s,14s,18e)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
+C[C@H](C(=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)Nc5cnn(n5)C)Cl	UOH	(2~{r})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide
+Cc1cc(on1)C(=O)Nc2ccncc2	UOI	3-methyl-n-(pyridin-4-yl)-1,2-oxazole-5-carboxamide
+C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C5CCC5)(C)C	UOJ	(2r,5s,11s,14s,18e)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
+COc1ccc2c(c1)c(c[nH]2)CC#N	UOK	2-(5-methoxy-1~{h}-indol-3-yl)ethanenitrile
+CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(cn3)C#N	UOM	6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile
+COc1ccc2c(c1)nc(n2c3ccc(cc3)C=O)Cl	UON	4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
+CC(C)c1ccc(cc1)NC(=O)N2CCN(C=C2)c3ccc(nn3)C#N	UOP	4-(6-cyanopyridazin-3-yl)-n-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2h)-carboxamide
+CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	UOQ	undeca-2-one coenzyme a
+CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3cnc(cn3)Cl	UOS	1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one
+COc1ccc2c(c1)n(c(n2)Cl)c3ccc(cc3)C=O	UOT	4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
+Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3CCC4(CC3)CCO4	UOV	n-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
+C[C@H](C(=O)N[C@H](CO)c1ccnc(c1)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	UOW	(2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide
+C([C@@H](C(=O)O)N)[Se@@H]=O	UOX	3-(oxido-lambda~4~-selanyl)-l-alanine
+CC(C)(C)C[C@@H](C(=O)O)NC(=O)c1ccc(nc1)Oc2ccccc2	UOY	4-methyl-n-(6-phenoxypyridine-3-carbonyl)-l-leucine
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](C(O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)F)O)O	UP1	uridine-5'-diphosphate-2-deoxy-2-fluorogalactose
+C1c2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c1[nH]5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O	UP2	uroporphyrinogen iii
+c1c2c(c(c([nH]2)cc3nc(cc4c(c(c([nH]4)cc5nc1C(=C5CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O	UP3	3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
+CC(C)(C)CC[C@@H](C(=O)O)NC(=O)c1cc(cc(c1)Cl)Cl	UP4	n-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-l-norleucine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)N	UP5	p1-(adenosine-5'-p5-(uridine-5')pentaphosphate
+C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	UP6	6-aza uridine 5'-monophosphate
+c1cc(c(c(c1)N)C(=O)O)C(=O)O	UP8	3-aminobenzene-1,2-dicarboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N	UPA	uridylyl-2'-5'-phospho-adenosine
+C/C=C\1/[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C	UPB	3-[5-[(~{z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{z})-[5-[(~{z})-[(4~{r})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O	UPC	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine
+CC(=O)N1CCC(CC1)C(=O)Nc2ccc(nc2)OC	UPD	1-acetyl-n-(6-methoxypyridin-3-yl)piperidine-4-carboxamide
+c1ccc(cc1)CCNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	UPE	2'-deoxy-5-[(2-phenylethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)F)O)O	UPF	uridine-5'-diphosphate-2-deoxy-2-fluorogalactose
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	UPG	uridine-5'-diphosphate-glucose
+CC(=O)N1CCC(CC1)C(=O)N(C)c2ccccc2	UPJ	1-acetyl-n-methyl-n-phenylpiperidine-4-carboxamide
+c1ccc(cc1)c2nccn2c3ccc(c(c3)O)C=O	UPK	2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol
+CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC	UPL	unknown branched fragment of phospholipid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)CO	UPM	uridine-5'-diphosphate-n-1-hydrooxy-ethanoyl muramaic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O	UPN	2-{[(2r,3r,4r,5r,6r)-3-(acetylamino)-2-{[(s)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}prop-2-enoic acid
+c1ccc(cc1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	UPP	phenyl-uridine-5'-diphosphate
+Cc1cn(cn1)c2ccc(cc2)C=O	UPQ	4-(4-methylimidazol-1-yl)benzaldehyde
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(N[P@@](=O)(O)OP(=O)(O)O)(O)(O)O)O	UPR	2'-deoxyuridine-5'-alpha,beta-aminophosphorane-triphosphate
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=S)(O)O)O	UPS	2'-deoxy-5'-o-thiophosphonouridine
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[P@@](=S)(O3)O	UPT	1-[(2r,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1h,3h)-dione
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O	UPU	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (s)-phosphate
+CC(C)(C)C(=O)OCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	UPV	2'-o-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate)
+c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)O	UPW	2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
+C/C(=N\Nc1[nH]ccn1)/c2ccc(cc2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-]	UPX	n-{4-[(1e)-n-1h-imidazol-2-ylethanehydrazonoyl]phenyl}-7-nitro-1h-indole-2-carboxamide
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(\C)/CCC=C(C)CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CCC=C(C)CCC=C(C)C	UQ	coenzyme q10, (2z,6e,10z,14e,18e,22e,26z)-isomer
+CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C	UQ1	ubiquinone-1
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CCC=C(C)C	UQ2	ubiquinone-2
+c1cc(c2c(c1NCCC(=O)O)non2)N(=O)=O	UQ4	n-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	UQ5	2,3-dimethoxy-5-methyl-6-(3,11,15,19-tetramethyl-eicosa-2,6,10,14,18-pentaenyl)-[1,4]benzoquinone
+Cc1c(c(c(c(c1O)OC)OC)O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	UQ6	5-(3,7,11,15,19,23-hexamethyl-tetracosa-2,6,10,14,18,22-hexaenyl)-2,3-dimethoxy-6-methyl-benzene-1,4-diol
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	UQ7	ubiquinone-7
+CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	UQ8	ubiquinone-8
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)C	UQ9	ubiquinone-9
+CCC1(C(=O)NC(=O)NC1=O)c2ccccc2	UQA	5-ethyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione
+c1cc(ccc1[C@H](CN)O)F	UQB	(1r)-2-amino-1-(4-fluorophenyl)ethanol
+[H]/N=C(\c1ccc(c(c1)Cl)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N	UQD	3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide
+[H]/N=C(\c1ccc(cc1)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N	UQG	4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide
+Cn1cc(c(n1)C(F)F)C(=O)N	UQJ	3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide
+CC(C)(C(=O)O)NC(=O)C(=O)O	UQK	n-oxalyl-alpha-methylalanine
+CC(=O)Nc1ccc(cc1)CC(=O)N	UQM	n-[4-(2-amino-2-oxoethyl)phenyl]acetamide
+Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br	UQN	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
+c1ccc(c(c1)CNc2c[nH]nc2)F	UQS	n-[(2-fluorophenyl)methyl]-1h-pyrazol-4-amine
+CC(=O)Nc1ccccc1CC(=O)O	UQV	[2-(acetylamino)phenyl]acetic acid
+CC[C@H](C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C=C	UQW	[(2r)-1-[2-(1h-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate
+CNC1(CCCC1)C(=O)N	UQY	1-(methylamino)cyclopentane-1-carboxamide
+CCCN([C@@H](c1cccc(c1)O)C(=O)NCc2ccc3c(c2)OCO3)C(=O)C=C	UQZ	~{n}-[(1~{s})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{n}-propyl-prop-2-enamide
+Cc1cc(cc(c1)S(=O)(=O)N)F	UR1	3-fluoro-5-methylbenzene-1-sulfonamide
+CN(CCCC1CCCCC1)C(=O)[C@H](CCC(=O)O)NC(=O)N(Cc2ccc(cc2)OP(=O)(O)O)CC(=O)O	UR2	4-[3-carboxymethyl-3-(4-phosphonooxy-benzyl)-ureido]-4-[(3-cyclohexyl-propyl)-methyl-carbamoyl]butyric acid
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	UR3	3-methyluridine-5'-monophoshate
+COCC(=O)Nc1nc(cs1)c2ccccc2	UR4	2-methoxy-n-(4-phenyl-1,3-thiazol-2-yl)acetamide
+C1[C@H]2[C@@H]([C@H](N1)C(=O)O)ONC2=O	UR5	(+)-3-hydroxy-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-6-carboxylic acid
+Cc1ccc(cc1F)CS(=O)(=O)N	UR7	1-(3-fluoro-4-methylphenyl)methanesulfonamide
+C1[C@@H]2[C@H]([C@@H](N1)C(=O)O)ONC2=O	UR8	(-)-3-hydroxy-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-6-carboxylic acid
+C1=CNC(=O)NC1=O	URA	uracil
+C1=C(C(=O)NC(=O)N1)Br	URB	5-bromopyrimidine-2,4(1h,3h)-dione
+C12=C(NC(=O)N1)NC(=O)NC2=O	URC	uric acid
+C1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	URD	1-((2r,3r,4s,5r)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyridine-2,4(1h,3h)-dione
+C(=O)(N)N	URE	urea
+C1=C(C(=O)NC(=O)N1)F	URF	5-fluorouracil
+c1ccc(cc1)C(=O)c2ccc(cc2)CNC(=O)c3ccc(cc3)S(=O)(=O)N	URH	~{n}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	URI	uridine
+Cc1nccc(n1)N2CCCc3c2ccc(n3)C4(CC4)NC(=O)c5ccc(cc5)F	URJ	4-fluoro-n-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide
+COc1cccc(c1OC)CNC(=O)[C@H](c2ccc(cc2)[N+](=O)[O-])OC(=O)C=C	URK	[(1s)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
+CC(C)C[C@@H](CNC(=O)O)N	URL	[(2~{s})-2-azanyl-4-methyl-pentyl]carbamic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(C[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O	URM	(((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)methyl)phosphonic (((2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride
+C1(=C(NC(=O)NC1=O)N)N	URN	5,6-diaminopyrimidine-2,4(1h,3h)-dione
+c1c(nc[nH]1)C=CC(=O)O	URO	(2e)-3-(1h-imidazol-4-yl)acrylic acid
+C(CNC(=O)N)C(=O)O	URP	n-(aminocarbonyl)-beta-alanine
+C[C@@H](CNC(=O)N)C(=O)O	URQ	(2s)-3-(carbamoylamino)-2-methylpropanoic acid
+c1ccc(cc1)NC(=S)N	URS	n-phenylthiourea
+c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OCP(=O)(O)O)F)N	URT	({[(2r,5r)-5-(6-amino-9h-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)phosphonic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O	URU	((2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-(2- ((((2r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)- 3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)-4- hydroxytetrahydrofuran-2-yl)methyl phosphate
+CC(C)[C@@H](CNC(=O)O)N	URV	[(2~{s})-2-azanyl-3-methyl-butyl]carbamic acid
+C[C@H](C(=O)NC)N(Cc1ccccc1OC(F)F)C(=O)c2cnc([nH]2)C(=O)n3cc4ccc(cc4c3)C(=O)N	URW	2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{r})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{h}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide
+C[C@@H]1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	URX	[(1r,3r,4r,5r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O	URY	3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)S	US1	2'-deoxy-3'-thiouridine 5'-(dihydrogen phosphate)
+CSC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	US2	2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate)
+CC1=CN(C(=NC1=O)[SeH])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	US3	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1h)-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OCOC[C@@H]3[C@H](C[C@@H](O3)n4cnc5c4ncnc5N)O	US4	[(2r,3s,5r)-3-({[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}methoxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
+C1=CN(C(=O)N=C1[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	US5	1-(5-o-phosphono-beta-d-ribofuranosyl)-4-selanylpyrimidin-2(1h)-one
+CS(=O)(=O)c1ccc(cc1)N2CCNCC2	US7	1-[4-(methylsulfonyl)phenyl]piperazine
+CC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NC3CC3	US8	2-acetamido-n-cyclopropyl-5-phenyl-thiophene-3-carboxamide
+[H]/N=C/c1[nH]ccn1	USA	(e)-1-(1h-imidazol-2-yl)methanimine
+CS(=O)(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O	USC	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
+[H]/N=C/c1ncccn1	USD	(e)-1-(pyrimidin-2-yl)methanimine
+c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O	USE	orientin
+c1cc(ccc1CC2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)F	USG	4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
+CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl	USH	2-[2-chloranylethanoyl(propyl)amino]-~{n}-(2-methoxyphenyl)ethanamide
+CN1[C@H](c2ccccc2[C@@H]1O)O	USJ	(1s,3s)-2-methyl-2,3-dihydro-1h-isoindole-1,3-diol
+CS[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	USM	2'-s-methyl-2'-thiouridine 5'-(dihydrogen phosphate)
+C[C@H]1C[C@]2(C(C3CC4=[N]5C(CC67[C@@](CC(=O)N6)(C(C8=[N]7[Ni]59[N]3=C2C(=C2N9C(=C8)C(C2CCC(=O)O)CC(=O)O)C1=O)CCC(=O)O)C)C([C@]4(C)CC(=O)N)CCC(=O)O)CC(=O)O)C	USN	dimethylated-f430 cofactor
+CN1c2ccc(cc2O[C@H]1O)N	USP	(2r)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CS(=O)(=O)O)O)O)O)O)O	USQ	sulfoquinovose-uridine-c1,5'-diphosphate
+c1ccc2c(c1)NC(=O)N2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)F	USS	3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{h}-benzimidazol-2-one
+c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C=O	UST	4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde
+c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2ccc(c3)Cl	USW	4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
+[H]/N=C(/N)\NCCCC(=O)c1ccc(cc1)F	USY	n-[4-(4-fluorophenyl)-4-oxobutyl]guanidine
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCc3cccc(c3)F	USZ	~{n}-(4-~{tert}-butylphenyl)-~{n}-[(1~{r})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide
+CCOc1ccc(cc1Nc2ccc3ccn(c3c2)S(=O)(=O)C)C(=O)C	UT0	1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone
+COc1ccc(cc1)NS(=O)(=O)c2cc(ccc2OC)NC(=O)c3ccc(s3)N(=O)=O	UT2	n-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide
+c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCNCC5)OCCO2	UT4	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7h-thieno[3,2-b]pyran-7-one
+CC(=O)N[C@@H]1CC[C@H](C1)c2[nH]c3c(ccnc3n2)c4ccc(cc4OC)F	UT5	n-((1r,3r)-3-(7-(4-fluoro-2-methoxyphenyl)-3h-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCO)O	UT7	oxa(dethia)-coa
+COc1ccc2c(c1)OCCN2S(=O)(=O)c3ccc(cc3)C=O	UT8	4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
+CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	UTA	acetyl-oxa(dethia)-coa
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#CC5=CN(C(=O)NC5=O)[C@H]6C[C@@H]([C@H](O6)CO)O	UTB	1-[(2~{r},4~{s},5~{r})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione
+c1cc(ccc1C2=CCN(CC2)CCCC(=O)c3ccc(cc3)F)Cl	UTD	4-(4-cyclohexyl-3,4-dihydro-2~{h}-pyridin-1-yl)-1-(4-$l^{2}-fluoranylcyclohexa-1,3,5-trien-1-yl)butan-1-one
+c1ccc(c(c1)NC(=S)NCc2ccco2)Cl	UTG	n-(2-chlorophenyl)-n'-[(furan-2-yl)methyl]thiourea
+Cc1c(c(on1)C)c2ccc3c(c(cnc3n2)C(=O)O)Nc4ccccc4C(C)(C)C	UTH	4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid
+c1cc2ccncc2c(c1)c3ccc(cc3)CC#N	UTJ	[4-(isoquinolin-8-yl)phenyl]acetonitrile
+CN1CCN(CC1)Cc2ccc(c(c2)OCCc3ccc(cc3)c4cccc5c4cncc5)c6c[nH]c7c6cncc7	UTM	8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1h-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O	UTP	uridine 5'-triphosphate
+c1ccc(cc1)Cn2cnc3c2cccc3	UTS	1-benzyl-1h-benzimidazole
+CC1(C(=O)c2ccccc2N1Cc3ccccc3OC(F)F)C	UTV	1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3h-indol-3-one
+B1234B567B189B212B33%10B454B656B787B911B232B4%105B7612S(CCC#N)CC(=O)NC(=O)OCCCCCCNC1C(N(c2ccccc2N1O)O)C#N	UTX	2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10b)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide
+C[C@@H]1CN(CCN1C(=O)CO)c2ncc(cn2)c3ccc4c(c3)N(C(C4=O)(C)C)Cc5cccnc5C#N	UTY	3-[(6-{2-[(3r)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1h-indol-1-yl)methyl]pyridine-2-carbonitrile
+c1c(cn(n1)CCO)Br	UU1	2-(4-bromo-1h-pyrazol-1-yl)ethan-1-ol
+C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O	UU3	(5r)-5-[(1s)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione
+C(CNC(=O)[C@H](CO)N)[C@@H](C(=O)O)N	UU4	(2s)-2-amino-4-(l-serylamino)butanoic acid
+C(CNC(=O)C=O)[C@@H](C(=O)O)N	UU5	(2s)-2-amino-4-[(oxoacetyl)amino]butanoic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)O)O)O	UUA	uridine uronic acid
+CN(C)C/C=C/C(=O)Nc1ccc(cc1)O[C@@H]2CCC[C@H](C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl	UUB	(e)-n-[4-[(1r,3r)-3-[[5-chloranyl-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide
+CC(=O)/N=C\1/Nc2ccccc2S1	UUD	n-(1,3-benzothiazol-2-yl)acetamide
+[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)CC)C)C)(F)F	UUE	8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene
+COc1cc(ccc1CO)Br	UUG	(4-bromo-2-methoxyphenyl)methanol
+[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)C[C@H]5[C@H](C[C@@H]([C@H]([C@@H]5O)O)O)O)C)C)(F)F	UUH	(1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
+c1cc(c(cc1Br)C#N)O	UUJ	5-bromo-2-hydroxybenzonitrile
+CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)OC(C)(C)C	UUK	tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
+c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl	UUL	4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol
+Cc1cc(no1)C(=O)Nc2cnn(c2)C	UUM	5-methyl-n-(1-methyl-1h-pyrazol-4-yl)-1,2-oxazole-3-carboxamide
+c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)NO	UUN	n-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
+c1cnc2c(cnn2c1)C(=O)NC3CC3	UUP	n-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+C1=CN(C(=O)C=C1Br)CCO	UUS	4-bromo-1-(2-hydroxyethyl)pyridin-2(1h)-one
+C[C@@H](CO)OC[C@H](C)OC[C@H](C)O	UUT	(2s)-2-{[(2s)-2-{[(2s)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
+C([C@@H]1[C@@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)O	UUU	(1s,2s,3s,4s,5r,6r)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+COCCn1cc(cn1)Br	UUV	4-bromo-1-(2-methoxyethyl)-1h-pyrazole
+CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)CCCCN(C)C	UUW	n-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide
+CN(CCO)c1ccccn1	UUY	2-[methyl(pyridin-2-yl)amino]ethan-1-ol
+COc1cccc2c1CCCC(=O)N2	UV1	6-methoxy-1,3,4,5-tetrahydro-2h-1-benzazepin-2-one
+c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)N=O	UV4	3-(benzoylamino)-n-oxobenzamide
+CC(=O)NCc1c[nH]nc1	UV7	n-[(1h-pyrazol-4-yl)methyl]acetamide
+CC(=Cc1ccc(cc1Br)C(=O)O)c2ccc3c(c2)C(CCC3(C)C)(C)C	UV8	3-bromo-4-[(1e)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
+CNc1ccccc1S(=O)(=O)C	UVA	n-methyl-2-(methylsulfonyl)aniline
+c1cc(ccc1C=O)S(=O)(=O)N2CCC[C@@H](C2)O	UVB	4-[(3~{s})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O	UVC	uridine-2',3'-vanadate
+COC(=O)Nc1ccc(cc1)Cc2ccncc2	UVD	methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate
+c1ccc2c(c1)N(CCO2)S(=O)(=O)c3ccc(cc3)C=O	UVE	4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde
+CN(C)C(=O)c1c[nH]nc1	UVG	n,n-dimethyl-1h-pyrazole-4-carboxamide
+CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UVH	4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde
+Cc1nc2ccccc2n1CCC(=O)N	UVJ	3-(2-methyl-1h-benzimidazol-1-yl)propanamide
+c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2cc(cc3)F	UVK	4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
+CCOC(=O)N1CCOCC1	UVM	ethyl morpholine-4-carboxylate
+c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2	UVN	4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde
+CO[C@@H]1[C@@H]([C@H](O[C@H]1[n+]2ccc(nc2O)O)/C=C/P(=O)(O)O)O	UVP	1-[(5e)-5,6-dideoxy-2-o-methyl-6-phosphono-beta-d-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium
+c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F	UVQ	4-[(6-fluoranyl-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde
+COCc1nnc(s1)N	UVS	5-(methoxymethyl)-1,3,4-thiadiazol-2-amine
+C[C@H]1CCCN1S(=O)(=O)c2ccc(cc2)C=O	UVT	4-[(2~{s})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde
+CC1=CC=C(C(=O)N1C)N	UVV	3-amino-1,6-dimethylpyridin-2(1h)-one
+CC(=O)OP(=O)(O)O	UVW	acetylphosphate
+C=C1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	UVX	[(1r,3r,4r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CCn1cc(cn1)CCO	UVY	2-(1-ethyl-1h-pyrazol-4-yl)ethan-1-ol
+c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)Cl	UVZ	4-[(6-chloranyl-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde
+CCOc1ccc2cc(cnc2c1)c3c(c(n(n3)C(C)(C)C)N)C(=O)N	UW1	5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1h-pyrazole-4-carboxamide
+CC(C)(Cn1c2c(c(n1)c3ccc4c(c3)ccc(n4)OC5CC5)c(ncn2)N)O	UW2	1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol
+c1cc(cc2c1cc(cn2)c3c(c(n(n3)C4CCCCC4)N)C(=O)N)OC5CCC5	UW3	5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1h-pyrazole-4-carboxamide
+CC(C)(C)n1c(c(c(n1)c2ccc3c(c2)ccc(n3)OC4CCC4)C(=O)N)N	UW4	5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1h-pyrazole-4-carboxamide
+CC(C)(Cn1c2c(c(n1)c3ccc4cc(ccc4c3)OC5CC5)c(ncn2)N)O	UW5	1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol
+Cn1c2c(nn1)CC[C@@H](C2)C(=O)O	UW7	(6s)-1-methyl-4,5,6,7-tetrahydro-1h-benzotriazole-6-carboxylic acid
+C(C(=O)O)C1(C(=O)O[Ti]23(O1)(OC(=O)C(O2)(CC(=O)O)CC(=O)O)OC(=O)C(O3)(CC(=O)O)CC(=O)O)CC(=O)O	UW8	2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid
+CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C[C@H](C(C)C)N(C)C)N	UW9	1-[(2s)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC(C)C)N	UWA	3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N	UWB	3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CNCc1nnc2n1cccc2	UWD	n-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
+C(#[O+])[Ni]	UWE	$l^{3}-oxidanylidynemethylnickel
+C[C@@H](c1cnn(c1)C2CCCC2)O	UWG	(1s)-1-(1-cyclopentyl-1h-pyrazol-4-yl)ethan-1-ol
+COCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UWH	4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)[Se]C	UWJ	5-methyl-1-(2-se-methyl-5-o-phosphono-2-seleno-beta-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+CO[C@@H]1CCCN(C1)S(=O)(=O)c2ccc(cc2)C=O	UWK	4-[(3~{r})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde
+Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CC(C5)C#N)CC#N	UWM	trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}cyclobutane-1-carbonitrile
+c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)N4CCCC4)C(=O)N5CCC(CC5)N6CCCC6	UWN	[2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}
+Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CN(C5)CC(F)(F)F)CC#N	UWP	[3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
+COC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UWQ	4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde
+Cc1cc(on1)CN2C(=O)C=CC(=N2)C	UWS	6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2h)-one
+C[C@H](CO)OC[C@H](C)OC[C@H](C)O	UWT	(2r)-2-[(2s)-2-[(2s)-2-oxidanylpropoxy]propoxy]propan-1-ol
+c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)Cl	UWU	6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one
+c1ccc(c(c1)NCc2cc[nH]n2)F	UWV	2-fluoro-n-[(1h-pyrazol-3-yl)methyl]aniline
+CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCOCC4)N(C(=O)C(=O)N3C)C	UWX	~{n}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
+CCn1cc(cn1)NC(=O)C2CCCC2	UWY	n-(1-ethyl-1h-pyrazol-4-yl)cyclopentanecarboxamide
+CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c2c[nH]c(n2)C(=O)N3CCCC3	UWZ	~{n}-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-~{n}-[2-(methylamino)-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ylcarbonyl-1~{h}-imidazole-4-carboxamide
+COc1cccc2c1c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO	UX0	(1s,2r,3r,5r)-3-(hydroxymethyl)-5-((5-methoxyquinazolin-4-yl)amino)cyclopentane-1,2-diol
+CNC(=O)C1(CC1)Cc2ccccc2F	UX1	1-[(2-fluorophenyl)methyl]-n-methylcyclopropane-1-carboxamide
+CCOC(=O)N1CCN(CC1)C(=O)Nc2c(c3c(s2)N=C4CC[C@H](CCN4C3=O)C)C	UX4	ethyl 4-[(8r)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoylpiperazine-1-carboxylate
+COc1ccc2c(c1)sc(n2)NC(=O)C3CC3	UX7	n-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
+c1ccc2c(c1)c(c[nH]2)[C@H]([C@@H](C(=O)O)N)O	UX8	(2~{s},3~{r})-2-azanyl-3-(1~{h}-indol-3-yl)-3-oxidanyl-propanoic acid
+CC(C)(C)[C@@H](C(=O)NN(CC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC	UX9	methyl [(2s)-1-{2-(2-{(3r,4s)-3-benzyl-4-hydroxy-1-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate
+c1cc2c(cc1C(=O)NC3CC3)OCO2	UXA	~{n}-cyclopropyl-1,3-benzodioxole-5-carboxamide
+c1c(cn[nH]1)C(=O)N2CCCC2	UXD	(1h-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
+CC1(CCN(CC1)Cc2ccc(cn2)NCC3(CCN(CC3)c4cc(ncn4)NCc5ccccc5)O)C	UXE	4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol
+c1ccc(cc1)C(c2ccccc2)N3CC(C3)O	UXG	1-(diphenylmethyl)azetidin-3-ol
+CN1c2c3c(cc(nc3c(c(c2N)Cl)N)C(=O)N)C1=O	UXH	6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide
+Cc1c(c[nH]n1)CNc2ccccc2F	UXJ	2-fluoro-n-[(3-methyl-1h-pyrazol-4-yl)methyl]aniline
+CC1(CCN(CC1)Cc2ccc(cn2)N3CCOC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C	UXK	6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-n-(phenylmethyl)pyrimidin-4-amine
+CCc1c(c(nc(c1C#N)S[C@H](c2ccccc2)C(=O)N)N3CCC(CC3)N)C#N	UXM	(2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide
+CN(C1CCOCC1)S(=O)(=O)c2ccc(cc2)C=O	UXN	4-methanoyl-n-methyl-n-(oxan-4-yl)benzenesulfonamide
+c1c([nH]nc1Nc2c3c[nH]nc3nc(n2)N4CCCC[C@@H]4CO)C5CC5	UXP	[(2r)-1-{4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-2h-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol
+c1cc(ccc1C[C@@H](C(=O)O)N)CNC(=O)CCl	UXQ	(2s)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid
+CSCC[C@@H](CO)N	UXS	(2s)-2-amino-4-(methylsulfanyl)butan-1-ol
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C	UXT	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+CC1(CCN(CC1)Cc2ccc(cn2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C	UXW	4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+C(CN)[C@H](C[C@@H](C(=O)O)N)O	UXY	(4r)-4-hydroxy-l-lysine
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C	UXZ	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+CO[C@@H]1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O	UY1	2'-o-methylpseudouridine-5'-monophosphate
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC4(CCN(CC4)c5cc(ncn5)NC)NC3=O)C	UY2	3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one
+C[C@@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O	UY4	(2s,3s)-2-{[(9-{(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9h-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid
+CC(C)Nc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(cc4)CN5CCC(CC5)(C)C	UY5	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+C1[C@@H](CN[C@H]1C(=O)O)O	UY7	(4s)-4-hydroxy-d-proline
+C1[C@H](CN[C@H]1C(=O)O)O	UYA	(4r)-4-hydroxy-d-proline
+CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=CC)[C@H](C(=O)N4)C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C	UYC	3-[2-[(~{z})-[5-[(~{z})-[(4~{r})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CC(C)(C)c1cc(nn1C)Nc2c3cn[nH]c3nc(n2)N[C@@H](CO)c4ccccc4	UYD	(2r)-2-({4-[(5-tert-butyl-1-methyl-1h-pyrazol-3-yl)amino]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol
+CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3	UYG	(3s,6s)-3-[(1h-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC	UYH	[(2~{s})-3-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)nc(n4[C@H](C)COC)C5CCOCC5	UYK	(r)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2h-pyran-4-yl)-1h-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4c[nH]c5c4cccc5	UYM	(3s,6s)-3,6-bis[(1h-indol-3-yl)methyl]piperazine-2,5-dione
+C/C(=N\NC(=[NH2+])N)/c1cc(cc(c1)/C(=N/NC(=[NH2+])N)/C)N	UYN	[[(2e)-2-[1-[3-[(e)-n-[[azaniumylidene(azanyl)methyl]amino]-c-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium
+c1c(ccc(c1)/C=N/NC(=[NH2+])N)/C=N/NC(=[NH2+])N	UYQ	[[(2e)-2-[[4-[(e)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium
+CN(C)c1c(nc(c(n1)N)C(=O)N=C(N)N)C#Cc2ccccc2	UYS	3-amino-n-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide
+C/C(=N\NC(=[NH2+])N)/c1ccccc1	UYT	[azanyl-[(2e)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium
+c1ccc(c(c1)/C=N/NC(=[NH2+])N)OCc2ccc(cc2)Cl	UYW	[azanyl-[(2e)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6ncn5)C	UYZ	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[N-]	UZ0	2'-azido-2'-deoxyuridine
+C1CC1N	UZ1	cyclopropanamine
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)N(C4(C3)CCN(CC4)c5cc(ncn5)NC)C)C	UZ2	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+C1CNC(=O)[C@@H]1C[C@@H]([C@H](C(=O)O)O)N	UZ4	(2r,3s)-3-amino-2-hydroxy-4-[(3s)-2-oxopyrrolidin-3-yl]butanoic acid
+CC1(CCN(CC1)Cc2cc(c(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)F)C	UZ5	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+c1ccc(cc1)OC(=O)O	UZ7	phenyl hydrogen carbonate
+C[C@H](CCC(=O)NCCCC[C@@H](C(=O)O)N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C	UZ9	(2s)-2-amino-6-({(4r)-4-[(10r,13s)-10,13-dimethyl-3-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl}amino)hexanoic acid
+CC/C=C/CCC[C@@](C)(C(=O)O)N	UZA	(2s,6e)-2-amino-2-methylnon-6-enoic acid
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6nc(n5)Cl)C	UZB	9-(2-chloranyl-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one
+CCCCCCCNC(=O)OC[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O	UZD	methyl 6-o-(heptylcarbamoyl)-beta-l-altropyranoside
+CC1(CCN(CC1)Cc2ccc(c(c2)F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C	UZE	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)Oc4ccc(c(c4)OC)OC)\N	UZG	2-[4-(3,4-dimethoxyphenoxy)phenyl]-1h-benzimidazole-6-carboximidamide
+CC1(CCN(CC1)Cc2ccc(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C	UZH	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+C1[C@@H]([C@@H](CO[C@H]1O)O)O	UZJ	2-deoxy-beta-d-ribopyranose
+C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3C[C@H]4C[C@H]4C3)C(=O)NCCC5CC5	UZK	(2s)-1-[[(1r,5s)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-n-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide
+c1cc(c(cc1Cl)Cl)[C@@H](CC(=O)NCCCS)CC(=O)NO	UZM	(3s)-3-(2,4-dichlorophenyl)-n~1~-hydroxy-n~5~-(3-sulfanylpropyl)pentanediamide
+CCCC[C@@H](CNC(=O)O)N	UZN	[(2~{s})-2-azanylhexyl]carbamic acid
+CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(cc1Cl)Cl	UZP	(3r)-3-(2,4-dichlorophenyl)-n~1~-hydroxy-n~5~-pentylpentanediamide
+CCCCNC(=O)c1ccc2c(c1)NC(=O)C[C@@H](N2C(=O)c3ccccc3F)C	UZQ	(2s)-n-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=N	UZR	2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate
+C(CCCS)CCC(=O)NO	UZS	n-hydroxy-7-sulfanylheptanamide
+C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(CC3)N)C(=O)NCCC4CC4	UZT	(2s)-1-(4-azanylpiperidin-1-yl)carbonyl-n-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide
+C(CCS)CC(=O)NO	UZV	n-hydroxy-5-sulfanylpentanamide
+c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO	UZW	~{n}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide
+C(CCC(=O)NO)CCS	UZY	n-hydroxy-6-sulfanylhexanamide
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)CNC(=O)CNC1=O)Cc2ccccc2)CCCCN)CCCCN	UZZ	1-[(3~{s},6~{s},9~{s},19~{r})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine
+[V+3]	V	vanadium ion
+c1cc(ccc1CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)Nc5ccncn5	V01	n-cyclopropyl-3-oxo-n-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2h-1,4-benzoxazine-7-carboxamide
+CCc1cccc(c1)[C@](c2ccccc2)(c3cccc(c3)O)SCCN	V02	3-[(r)-2-azanylethylsulfanyl-(3-ethylphenyl)-phenyl-methyl]phenol
+c1cc(c(cc1I)F)Nc2c(ccc3c2cn[nH]3)C(=O)NOCCO	V04	4-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-1h-indazole-5-carboxamide
+c1cnc(nc1)c2nnn(n2)Cc3c(cc(cc3F)C(=O)NO)F	V05	3,5-bis(fluoranyl)-~{n}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide
+Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4	V07	7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
+CC(C)[C@H](C=O)[C@H](C(=O)O)O	V08	(2 {r},3 {s})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid
+C[C@H]1[C@H]2CC=C([C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C\3/C(=O)C=NC3=O)/O)C)C	V0A	(3e)-3-{(2e,4e,6r)-1-hydroxy-4-methyl-6-[(1r,3r,4s,5r)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2h-pyrrole-2,4(3h)-dione
+Cc1ccc2nc(cn2c1)CNC(=O)C3=CC(=O)N4C=CC=CC4=N3	V0B	n-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide
+CCc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4	V0D	7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
+c1cc(ccc1CC#N)OC[C@H](CN2C=Nc3ccc(cc3C2=O)Cl)O	V0E	2-[4-[(2s)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile
+CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl	V0G	n-(3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide
+c1cc(ccc1OCC#N)OC[C@H](CN2C=Nc3ccc(cc3C2=O)Cl)O	V0H	2-[4-[(2s)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile
+CCCCN(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)C(=O)N4CCN([C@H](C4)C(=O)O)C(=O)C(C)(c5ccccc5)c6ccccc6	V0J	(2r)-4-(butyl{[2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid
+CC1=CC=C(C(=O)N1Cc2ccc(c(c2)F)F)C(=O)N[C@H](c3ccccc3)C(=O)Nc4ccc5c(c4)/C(=C\c6cnc[nH]6)/C(=O)N5	V0K	1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{n}-[(1~{r})-2-[[(3~{e})-3-(1~{h}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{h}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide
+C[C@@H](c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3	V0L	volitinib
+c1ccc2c(c1)CC(C2)(C(=O)O)NC(=O)Cc3ccccc3Nc4c(cccc4Cl)Cl	V0M	2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1h-indene-2-carboxylic acid
+CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2ccc(cc2)F)CO)O)O	V0N	2-[(2r,3s,4r,5r)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-n-methyl-ethanamide
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)OCCNCc4cccc(n4)N	V0P	7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine
+CCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)CO	V0Q	[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol
+CNC1CCC(CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5ccccc5s4)Cl	V0S	3-chloro-n-[trans-4-(methylamino)cyclohexyl]-n-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide
+c1cc(ccc1CO)S(=O)(=O)N2CCC(CC2)O	V0T	1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol
+C/C(=C(/O)\SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)O	V0V	(3s,5r,9r,19e)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name)
+Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)C	V0W	1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
+CN1C(=O)C(=C(N=C1N2CCC(CC2)N)c3ccc(c(c3)F)C#N)c4ccc(c(c4)F)OC	V0Y	4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile
+CSC[C@@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	V10	n^6^-[(1r)-2-[(1r)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine
+c1ccc(cc1)[C@H](CN2[C@H]3CC[C@@H]2CC(C3)OC(=O)c4ccccc4)O	V11	[(1s,5r)-8-[(2r)-2-hydroxy-2-phenyl-ethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate
+c1ccc2c(c1)[nH]c(n2)CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O	V12	5'-[(1h-benzimidazol-2-ylacetyl)amino]-5'-deoxycytidine
+C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O	V13	2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	V14	3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+c1ccc(cc1)CCC2=CC(=O)NC(=N2)N	V15	2-amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
+CCCCc1ccc(c(c1)C)N/C=N\O	V16	n-(4-butyl-2-methylphenyl)-n'-hydroxyimidoformamide
+c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCC(CC5)N6CCCC6	V17	(4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone
+c1ccc2c(c1)cncc2N3C(=O)C4(CC(C4)C5CCC5)NC3=O	V18	2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione
+CC1(C(=NC(N1[O])(C)C)SS(=O)(=O)C)C	V1A	s-(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-imidazol-4-yl) methanesulfonothioate
+c1ccc(cc1)C2CC3(C2)C(=O)N(C(=O)N3)c4cncc5c4cccc5	V1B	7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione
+CN1CC(C1)C(=O)N[C@@H](CCCCCC(c2ccon2)(O)O)c3[nH]cc(n3)c4ccccc4F	V1D	n-[(1s)-1-[4-(2-fluorophenyl)-1h-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide
+Cc1ccc(cc1)S(=O)(=O)N(C)C	V1E	~{n},~{n},4-trimethylbenzenesulfonamide
+c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)NCc3ccccc3	V1F	3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)NC(=O)[C@@H]5C[C@@H]5F)C)CO	V1G	(1s,2s)-n-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1h)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide
+Cc1ccc(cc1)S(=O)(=O)N2CC(C2)OC	V1H	3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine
+C(CO)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	V1J	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol
+Cc1ccc(cc1)S(=O)(=O)n2c3cc(ccc3nc2Cl)OC	V1K	2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole
+C1CCNC(=O)C1	V1L	piperidin-2-one
+Cc1cc(ccc1OCc2ccc(nc2)C(=O)OC)OC	V1M	methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate
+c1ccc2c(c1)c(c[nH]2)CCOP(=O)(O)O[C@H]3[C@@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	V1N	[(2s,3r,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl] 2-(1h-indol-3-yl)ethyl hydrogen phosphate
+CCC(CCCCC[C@@H](c1c(nc([nH]1)c2ccccc2)C(=O)N)NC(=O)C3CN(C3)C)(O)O	V1P	5-{(1s)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1h-imidazole-4-carboxamide
+Cc1ccc(cc1)S(=O)(=O)Nc2ccn(n2)C	V1Q	4-methyl-~{n}-(1-methylpyrazol-3-yl)benzenesulfonamide
+CCC(CCCCC[C@@H](c1c([nH]c(n1)c2ccc(cc2)F)C#N)NC(=O)[C@H]3CC34CCN(CC4)C)(O)O	V1S	(1s)-n-{(1s)-1-[5-cyano-2-(4-fluorophenyl)-1h-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
+CN1c2ccc(cc2N(C1=O)C)C(=O)N	V1T	1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazole-5-carboxamide
+CCC[C@@H]([C@@H](C(=O)O)O)N	V1V	(2s,3s)-3-amino-2-hydroxyhexanoic acid
+c1ccc(cc1)CC2=Nc3c4ccc(cc4ccc3N5C2=N[C@@](C5=O)(Cc6ccc(cc6)O)OO)O	V1W	v-coelenterazine
+Cc1ccc2c(c1NC(=O)c3csc4c3ncnc4N)ccnc2Nc5cccc(c5F)Cl	V1Y	4-amino-n-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide
+CSC[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	V20	n6^-[(1r)-2-[(1s)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine
+CSC1=S=Nn2c1nc3c2cc(cc3)S(=O)(=O)N	V21	3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide
+c1cc2nc(cn2cc1CNCC3CCCCC3)CNC(=O)C4=CC(=O)[N]5=CC=CC=C5N4	V22	~{n}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{h}-pyrido[1,2-a]pyrimidine-2-carboxamide
+CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4	V24	n-[([1,1'-biphenyl]-4-yl)sulfonyl]-n-({1-[3,4,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-1h-1,2,3-triazol-4-yl}methyl)-d-valine
+CCOC(=O)c1c(c2ccc(c(c2n1C)Cl)Cl)/C(=C\N)/C#N	V25	ethyl 3-[(e)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1h-indole-2-carboxylate
+CNc1c(c(c(c(c1S(=O)(=O)CCc2ccccc2)F)F)S(=O)(=O)N)F	V26	2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide
+CC(=O)N1CCC(CC1)C(=O)N2C[C@H]([C@@](C2)(C)c3ccccc3)c4ccc(cc4)C(C(F)(F)F)(C(F)(F)F)O	V27	1-(4-{(3s,4s)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one
+CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4	V28	n-({1-[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-1h-1,2,3-triazol-4-yl}methyl)-n-[([1,1'-biphenyl]-4-yl)sulfonyl]-d-valine
+CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N	V2A	neoseptin 3
+CCOc1ccccc1Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)C(=O)OC	V2C	methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 h-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate
+Cc1c(cccc1OCc2c(cccn2)C(=O)OC)O	V2D	methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate
+c1cc(c(cc1C=O)N2CCOCC2)[N+](=O)[O-]	V2E	3-morpholin-4-yl-4-nitro-benzaldehyde
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NCC(=O)O)O)O)O)N	V2G	2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid
+CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	V2H	(1s,3r,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CC[C@@H](C4)C(=O)O)O)O)O)N	V2J	5'-o-[(s)-[(3s)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine
+Cc1nc2cc(ccc2n1c3ccc(cc3)C=O)OC	V2K	4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC	V2M	n-[(2s)-1-({(2s)-4-hydroxy-3-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+Cc1nc2ccc(cc2n1c3ccc(cc3)C=O)OC	V2N	4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CCC[C@H]4C(=O)O)O)O)O)N	V2P	(2~{s})-1-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]pyrrolidine-2-carboxylic acid
+COC1CN(C1)C(=O)c2ccc(cc2)C=O	V2Q	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde
+c1ccc(cc1)C[C@@H](C(=O)O)NP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	V2S	(2~{s})-2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-phenyl-propanoic acid
+Cn1ccc(n1)NC(=O)c2ccc(cc2)C=O	V2T	4-methanoyl-~{n}-(1-methylpyrazol-3-yl)benzamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H](C(O2)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O	V2V	cdp-ribitol
+COc1ccc(cc1)CNC(=O)c2ccc(cc2)C=O	V2W	4-methanoyl-~{n}-[(4-methoxyphenyl)methyl]benzamide
+CCCC1=NC(=CNC1=O)c2cccnc2	V2Z	3-propyl-5-(3-pyridyl)-1h-pyrazin-2-one
+Cc1c(sc2c1C(=O)NC(=N2)SCC(=O)NCCO)C	V30	2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-(2-hydroxyethyl)acetamide
+c1ccc(cc1)CS(=O)(=O)Nc2ccc(cc2C(=O)O)Br	V31	5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid
+c1cc(ccc1C=O)C(=O)N2CCOCC2	V32	4-morpholin-4-ylcarbonylbenzaldehyde
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c([nH]2)cccc3OC	V34	ethyl (2e,4s)-4-{[n-(4-methoxy-1h-indole-2-carbonyl)-l-leucyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O	V35	d-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid
+[B-]([C@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O	V36	l-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid
+c1ccc(cc1)CCN2[C@@H]3CC[C@H]2CC(C3)OC(=O)c4ccccc4	V37	[(1r,5s)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate
+C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)c3ccccc3)C[C@@H](c4ccccc4)O	V38	[(1r,5s)-8-[(2r)-2-hydroxy-2-phenyl-ethyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate
+Cc1c(cccc1OCc2cccc(n2)CO)O	V39	3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O)N	V3A	9-{2-deoxy-5-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-erythro-pentofuranosyl}-9h-purin-6-amine
+CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(cc2)C=O	V3B	4-(4-methanoylphenyl)carbonyl-~{n},~{n}-dimethyl-piperazine-1-carboxamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c2ccccc2C#N)NC(=O)c3cc4c([nH]3)cccc4OC	V3D	(3s)-3-{[n-(4-methoxy-1h-indole-2-carbonyl)-l-leucyl]amino}-2-oxo-4-[(3s)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate
+CCCCOC(=O)[C@H]([C@@H]1[NH2+][C@H](C(S1)(C)C)C(=O)O)NC(=O)c2c(onc2c3ccccc3)C	V3H	(2r,4s)-2-[(1r)-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid
+c1cc2c(cc1C(=O)N3CCOCC3)nns2	V3J	(4,7-dihydro-2h-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone
+Cn1cc(cn1)CNC(=O)c2ccc(cc2)C=O	V3K	4-methanoyl-~{n}-[(1-methylpyrazol-4-yl)methyl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N	V3L	2'-o-(5-o-phosphono-alpha-d-ribofuranosyl)adenosine 5'-(dihydrogen phosphate)
+C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O	V3M	2-deoxy-2-fluoro-alpha-d-arabinofuranose
+c1cc(ccc1C=O)C(=O)NCC2CCOCC2	V3N	4-methanoyl-~{n}-(oxan-4-ylmethyl)benzamide
+c1cc(ccc1S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)S)O)O)I	V3P	4-iodophenyl 1,4-dithio-beta-d-glucopyranoside
+COc1cccc(c1)CNC(=O)c2ccc(cc2)C=O	V3Q	4-methanoyl-~{n}-[(3-methoxyphenyl)methyl]benzamide
+CC(C)n1cnnc1c2cccc(n2)NC(=O)[C@H]3CCCCO3	V3S	(2r)-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide
+Cn1ccnc1CNC(=O)c2ccc(cc2)C=O	V3T	4-methanoyl-~{n}-[(1-methylimidazol-2-yl)methyl]benzamide
+CC1=C([C@@H](N=C(N1)Nc2nc3ccc(cc3o2)F)c4ccccc4Cl)C(=O)Nc5cc(ccn5)C(=O)O	V3V	2-({(4r)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid
+COC1CCN(CC1)C(=O)c2ccc(cc2)C=O	V3W	4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde
+CC(C)S(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O	V3Z	(5-methanoyl-2-nitro-phenyl) propane-2-sulfonate
+[H]/N=C(/[C@H](C(=O)N)/N=N/c1ccccc1)\N	V41	(2r,3z)-3-amino-3-imino-2-[(e)-phenyldiazenyl]propanamide
+Cn1cc(cn1)S(=O)(=O)Oc2cc(ccc2[N+](=O)[O-])C=O	V42	(5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate
+Cn1ccnc1C(CSC[C@@H](C(=O)O)N)c2nccn2C	V44	s-[2,2-bis(1-methyl-1h-imidazol-2-yl)ethyl]-l-cysteine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)N2CC(OC2=O)Cc3cccc(c3)Cl	V45	(2s)-2-{(5s)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-n-{(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide
+c1cc(cc(c1)C(=O)O)C(=O)CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	V47	9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-d-ribo-heptodialdo-1,4-furanosyl]-9h-purin-6-amine
+COc1cccc(c1)CC(=O)Oc2cc(ccc2[N+](=O)[O-])C=O	V48	(5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate
+c1ccc2c(c1)nc(s2)Sc3c(c(c(c(c3F)F)S(=O)(=O)N)F)F	V49	4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
+C1=CC2=[N](C=C1)[Pt+2]3([N]4=C(C=CC=C4)C5=[N]3N=C6N5C=CC=C6)[N]7=C2N8C=CC=CC8=N7	V4A	platinum(ii) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine]
+Cc1c(ccc(n1)C(F)(F)F)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O	V4B	[5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
+c1cc(ccc1Nc2nc(nc(n2)Oc3ccc4c(c3)cc[nH]4)N)S(=O)(=O)N	V4D	4-({4-amino-6-[(1h-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O	V4E	thiamine triphosphate
+c1cc(ccc1C=O)C(=O)N2CCC[C@H](C2)O	V4H	4-[(3~{r})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde
+CC[C@H](CCCOCCOC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O	V4J	2-{[(4r)-4-hydroxyhexyl]oxy}ethyl 5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoate
+c1cc(ccc1C=O)C(=O)N2CCC(CC2)CCO	V4K	4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde
+c1cc(ccc1C(C(=O)NCc2ccc3c(c2)CN(C3=O)[C@H]4CCC(=O)NC4=O)(F)F)Cl	V4M	2-(4-chlorophenyl)-n-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1h-isoindol-5-yl}methyl)-2,2-difluoroacetamide
+c1cc(cc(c1)Cl)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O	V4N	(5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate
+[O-][V]1(=O)O[V](=O)(O[V](=O)(O[V](=O)(O1)[O-])[O-])[O-]	V4O	cyclo-tetrametavanadate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5cccc6c5nccn6	V4Q	n-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
+C[C@@H]1CN2c3c4c(c(c(c(c4OCC[C@H]2CN1C(=O)C=C)Cl)c5c(cccc5F)O)F)ncn3	V4T	1-[(4r,7s)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2
+c1ccnc(c1)CNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N	V4V	7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+C([C@@H]([C@@H](C=O)O)O)C(=O)C(=O)O	V4W	4-deoxy-l-erythro-hex-5-ulosuronic acid
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCc4cccc(n4)N	V4Y	7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+C[C@@H](c1ccc(cn1)F)Nc2ncc(c(n2)Nc3cc(n[nH]3)OC(C)C)Cl	V4Z	5-chloranyl-n2-[(1s)-1-(5-fluoranylpyridin-2-yl)ethyl]-n4-(3-propan-2-yloxy-1h-pyrazol-5-yl)pyrimidine-2,4-diamine
+Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C	V50	4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide
+C1C2CC3CC1CC(C2)(C3)Nc4c(c(c(c(c4F)F)S(=O)(=O)N)F)F	V51	4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
+CCC(=O)N1CCN2c3c4c(cc(c(c4OC[C@@H]2C1)Cl)c5c(ccc6c5c[nH]n6)C)ncn3	V52	1-[(7s)-11-chloro-12-(5-methyl-1h-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCc4cccc(n4)N	V54	7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+COc1cc(ccc1O)C=O	V55	4-hydroxy-3-methoxybenzaldehyde
+CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCCC[C@H](OC(=O)N1)c2cccc(c2)Cl)CO	V56	(4s,7s,17s)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione
+c1ccnc(c1)CCNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N	V57	7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[V](=O)O)O)O)N	V5A	adenosine-5'-vanadate
+COS(=O)(=O)O	V5B	methyl sulfate
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCCc4cccc(n4)N	V5D	7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+c1cc(cc(c1)Nc2ncc(c(n2)NCCc3cnc[nH]3)Br)CN4CCOCC4	V5E	5-bromo-4-n-[2-(1h-imidazol-5-yl)ethyl]-2-n-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CCc4cccc(n4)N	V5G	7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine
+Cc1cc(c(cc1c2cc3c(nc2)C(=O)N(N=C3)C)NC(=O)c4cccc(c4)C(C)(C)C#N)F	V5J	3-(2-cyanopropan-2-yl)-n-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide
+COc1cc(ccc1O)/C=C/c2cc(cc(c2O)OC)/C=C/C(=O)O	V5M	(2e)-3-{4-hydroxy-3-[(e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoic acid
+c1c([nH]cn1)[C@H]([C@@H](C(=O)O)N)O	V5N	(2s,3s)-2-azanyl-3-(1h-imidazol-5-yl)-3-oxidanyl-propanoic acid
+COc1cc(ccc1O)/C=C/c2ccc(c(c2)OC)O	V5P	lignostilbene
+COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)n4nc(nn4)c5cc(c(cc5NC(=O)C6CC(=O)c7ccccc7O6)OC)OC	V5Q	~{n}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{h}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide
+c1cc(ccc1NCCO)Br	V5S	2-[(4-bromophenyl)amino]ethan-1-ol
+c1nc2c3c(n1)n(cn3)[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@](=O)(O[C@@H]6[C@@H](CO[P@@](=O)(O5)S)O[C@H]([C@@H]6F)n7cnc8c7ncnc8NC/C=C/CN2)S)F	V5V	(1r,3r,15e,28r,29r,30r,31r,34r,36r,39s,41r)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name)
+c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	V5W	4-(cyclopentylamino)-2-[(2,5-dichlorophenyl)methylamino]-n-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
+Cc1c(c2cc(ccc2[nH]1)OC)CC(=O)N[C@H](CCCCCC(=O)NO)C(=O)NCCc3c4ccccc4[nH]c3c5ccccc5	V5X	(2r)-n~8~-hydroxy-2-{[(5-methoxy-2-methyl-1h-indol-3-yl)acetyl]amino}-n~1~-[2-(2-phenyl-1h-indol-3-yl)ethyl]octanediamide
+C[N+](C)(C)c1ccc(cc1)N2C(=N/C(=C\c3cc(c(c(c3)OC)O)OC)/C2=O)/C=N\O	V5Z	dmhbo+
+C(c1c(c(c(c(c1F)F)I)F)F)[C@@H](C(=O)O)N	V61	2,3,5,6-tetrafluoro-4-iodo-l-phenylalanine
+Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCCC3)C(=O)NCCCN4CCOC4=O)Br	V62	2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-n-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
+c1ccc(cc1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3	V63	[(1r,5s)-8-azabicyclo[3.2.1]octan-3-yl] benzoate
+CC(C)(C)OC(=O)N[C@H]1CCc2nnc(o2)CCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC1=O)CC3CCCCC3)CO	V64	tert-butyl [(4s,7s,10s)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate
+c1cc(ccc1CN(c2nc(nc(n2)N3CCOCC3)C(=O)N)C4CCCCC4)Cl	V65	4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
+CC(C)(C)OC(=O)N[C@H]1CCc2nnc(o2)CCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC1=O)CC3CCCCC3)CO	V66	tert-butyl [(4s,7s,10s)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate
+c1cc(nnc1C(=O)Nc2cc(c(cc2C(=O)O)F)F)n3ccnc3	V67	4,5-difluoro-2-{[6-(1h-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid
+CC(C)COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N	V68	1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
+CCCCC[C@@H]1CCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)O1)CC(C)C)CO	V69	(4s,7s,17r)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione
+c1cnc(cn1)NNC(=O)CCn2cnc(n2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F	V6A	selinexor, bound form
+Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Br	V6B	2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-n-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
+C[C@H]1C/C(=C/C=C\C(=O)O[C@@H](Cc2nc(cs2)CC[C@H](CC(=O)O1)N)/C=C(\C)/C=C/C(=C/CN(C)C)/C)/C	V6D	(3s,6z,8e,11s,15r)-15-amino-3-[(1e,3e,5e)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione
+c1cc(c(cc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl)Cl	V6E	4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-n-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
+CC(=O)N1C[C@@H](C[C@H]1C(=O)NC)O	V6F	(4r)-1-acetyl-4-hydroxy-n-methyl-l-prolinamide
+Cc1cc(cc(c1F)C)n2c(c3c(n2)CCN([C@H]3C)C(=O)c4cc5cc(ccc5n4[C@]6(C[C@@H]6C)C7=NOC(=O)N7)[C@H]8CCOC(C8)(C)C)N9C=CN(C9=O)c1ccc2c(c1F)cnn2C	V6G	3-[(1s,2s)-1-(5-[(4s)-2,2-dimethyloxan-4-yl]-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4h)-one
+c1cc(c(cc1F)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)F	V6H	2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-n-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
+Cc1cccc2c1[nH]c(c2c3ccccc3)C(=O)O	V6M	7-methyl-3-phenyl-1h-indole-2-carboxylic acid
+c1ccc(cc1)Oc2cccc(c2)O	V6P	3-phenoxyphenol
+c1cc(cc(c1)Oc2ccc(cc2)C(=O)O)O	V6S	4-(3-hydroxyphenoxy)benzoic acid
+CC1=N/C(=C\c2cc(c(c(c2)OC)O)OC)/C(=O)N1c3ccc(cc3)[N+](C)(C)C	V6T	dmhbi+
+Cc1c2cc(ccc2[nH]c1C(=O)O)Br	V6V	5-bromo-3-methyl-1h-indole-2-carboxylic acid
+c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)OCc4cccc(c4)Oc5ccc(cc5)C(=O)O	V6Y	3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1h-indole-2-carboxylic acid
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CN)F)O)N)O)O)N	V71	(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-galactopyranoside
+c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)COCc4cccc(c4)Oc5ccc(cc5)C(=O)O	V74	3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1h-indole-2-carboxylic acid
+CC(=O)O[C@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)O)C(=O)O	V75	(2~{s},3~{s},4~{s},5~{s})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid
+CCCCCCC[C@@H](c1ccc(cc1)Cl)OCC(=O)O	V77	{[(1s)-1-(4-chlorophenyl)octyl]oxy}acetic acid
+CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)[C@@H]4CC=S=C4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	V78	methyl n-[(2s)-1-[2-[[4-[(3s)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3z,8s,11r)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)CN(C)OC	V7A	sarecycline
+CC(C)CCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)OC(=O)CCCCCCCCCCC(C)C	V7B	[(2~{s})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-5-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(12-methyltridecanoyloxy)propyl] 12-methyltridecanoate
+CCC(C(=O)NCC(=O)O)O[P@@](CCC(C(=O)O)(N)N)Oc1ccccc1	V7D	2,2-diamino-4-[(s)-({(2s)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](c2nc3ccccc3s2)O)NC(=O)c4cc5c([nH]4)cccc5OC	V7G	n-[(2s)-1-({(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+c1ccc(cc1)CNC(=O)c2ccccc2CNCc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	V7H	(2s)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(phenylmethyl)carbamoyl]phenyl]methylamino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1cc(c2c(c1[N+](=O)[O-])non2)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	V7K	(2~{s})-2-azanyl-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+Cc1cc(cc(c1)F)C	V7M	1-fluoro-3,5-dimethylbenzene
+C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\C=C\C=C(/C)\C=C\CC(C)(C)OC)/C=O)\C)/CC/C=C(\C)/C=C/C=C(\C)/C(=O)O	V7N	(2~{e},4~{e},6~{e},10~{e},12~{e},14~{e},16~{e},18~{e},20~{e},22~{z},24~{e},26~{e},28~{e})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid
+O=[V](=O)O([V](=O)O[V](=O)(=O)O[V](=O)(=O)[O@@]([V](=O)=O)[V](=O)(=O)=O)[V](=O)(=O)=O	V7O	meta vanadate
+c1cc2c(cc1F)c(ccn2)C[C@@H](C=O)N	V7P	(2s)-2-amino-3-(6-fluoroquinolin-4-yl)propanal
+c1cc(c2c(c1)nsn2)CN	V7Q	2,1,3-benzothiadiazol-4-ylmethanamine
+CSCc1cccc(c1)CSC	V7S	1,3-bis[(methylsulfanyl)methyl]benzene
+[H]/N=C(\N)/N[C@H](CCCCN)C(=O)O	V7T	(2r)-6-azanyl-2-carbamimidamido-hexanoic acid
+c1cc(cc(c1)c2[nH]nnn2)c3cccc(c3)C(=O)O	V7V	3-[3-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid
+c1cc(sc1)[C@H]2N[C@@H](CS2)C(=O)O	V7W	(2s,4r)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
+C[C@@H](C1=Cc2cccc(c2C(=O)N1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N	V7Y	2-amino-n-[(1s)-1-{8-[(1-methyl-1h-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+C[C@@H](C1CC1)N2Cc3cc(cc(c3C2=O)C(F)(F)F)c4ccn5c(n4)c(c(n5)N)c6cnn(c6)C	V81	5-[2-amino-3-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1s)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1h-isoindol-1-one
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)OCn4cc(nn4)CNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O)NC(=O)c7cccc(c7O)O	V82	[4-[[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{s})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate
+Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4ccn5c(n4)c(c(n5)N)C(=O)NC6CC(C6)O	V84	2-amino-5-{2-[(1s)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1h-isoindol-5-yl}-n-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(cc1)C[C@H](C(=O)Nc2ccccc2)S	V85	(2r)-n,3-diphenyl-2-sulfanyl-propanamide
+c1ccc(cc1)CCCCNC=O	V87	n-(4-phenylbutyl)formamide
+c1c2c3c4c(cc(c3C(=O)N(C2=O)CCCN5CCOCC5)NCCCN6CCOCC6)C(=O)N(C(=O)c4c1NCCCN7CCOCC7)CCCN8CCOCC8	V8A	2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
+Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O	V8B	6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{h}-pyrrolo[1,2-a]pyrazin-1-one
+CCOC(=O)c1cncn1[C@H](C)c2ccccc2	V8D	ethyl 1-[(1r)-1-phenylethyl]-1h-imidazole-5-carboxylate
+CCCCC1CCC(CC1)C(=O)O	V8G	trans-4-butylcyclohexane-1-carboxylic acid
+C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)O)O)O)O)O	V8H	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonyl-4~{h}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+C[C@H](CC/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O	V8K	dolichylphosphate
+c1cc(c(cc1N(=O)=O)CCNC(=O)CCCC[C@H]2[C@@H]3C(CS2)NC(=O)N3)O	V8M	n-[2-(2-hydroxy-5-nitrophenyl)ethyl]-5-[(3as,4s,6as)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+c1cc(cc(c1)CN)CC(=O)O	V8N	2-[3-(aminomethyl)phenyl]ethanoic acid
+CCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCC)O)O	V8P	(3r)-n-[(2s,3r)-1-(alpha-d-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide
+C1C[C@H](NC1)[C@H](N)O	V8W	(r)-azanyl-[(2s)-pyrrolidin-2-yl]methanol
+c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCC(=O)O	V8Y	7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid
+C/C/1=C\CC(C=CC/C(=C/CC1)/C)(C)C	V8Z	(1e,4e,8e)-2,6,6,9-tetramethyl-1,4-8-cycloundecatriene
+C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F	V90	2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
+c1cc(sc1C(=O)N2CC(C2)c3nccs3)NC(=O)[C@@H]4CCCN4	V91	n-(5-{3-[(2s)-1,3-thiazolidin-2-yl]azetidine-1-carbonyl}thiophen-2-yl)-l-prolinamide
+COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3	V95	methyl n-(6-benzoyl-1h-benzimidazol-2-yl)carbamate
+c1cc(sc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	V97	n-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-l-glutamic acid
+c1ccc(cc1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5	V98	~{n}4-[(4-chlorophenyl)methyl]-~{n}4-cyclopentyl-~{n}1-(phenylmethyl)-~{n}1-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide
+c1cc(oc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	V9A	n-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-l-glutamic acid
+CCC(=O)c1cc([nH]c1)C(=O)NC	V9B	n-methyl-4-propanoyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)CCNC(=O)O	V9C	2-phenylethylcarbamic acid
+c1cc(cc(c1)C(=O)NO)C(=O)NO	V9D	n~1~,n~3~-dihydroxybenzene-1,3-dicarboxamide
+CN1C=[N](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OC)O)O)O	V9G	7-methyl-guanosine-5'-triphosphate-5'-(2'-o-methyl)-adenosine
+C[C@@H](c1ccccc1)n2c(cc(n2)C(=O)NC)C(=O)NC3CCC(CC3)O	V9H	3n-methyl-5n-(4-oxidanylcyclohexyl)-1-[(1s)-1-phenylethyl]pyrazole-3,5-dicarboxamide
+c1cc(ccc1c2c3ccc(cc3sc2Oc4ccc(cc4)O)O)F	V9J	3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol
+C[C@@H](c1ccccc1)c2c(cc(o2)C(=O)NC)C(=O)NC3CCC(CC3)O	V9K	2n-methyl-4n-(4-oxidanylcyclohexyl)-5-[(1s)-1-phenylethyl]furan-2,4-dicarboxamide
+C[C@@H](CC[NH+](C)[C@@H](C(C)C)C(=O)O)CC(C)(C)C	V9M	(3r)-n-[(1s)-1-carboxy-2-methylpropyl]-n,3,5,5-tetramethylhexan-1-aminium
+C[C@]1(COc2c1cc(cc2C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4)c5ccccc5	V9N	(3s)-n7,3-dimethyl-n5-[(1r,5s)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2h-1-benzofuran-5,7-dicarboxamide
+CNC(=O)c1cc(cc2c1OC[C@H]2c3cccc4c3cc[nH]4)C(=O)NC5[C@H]6[C@@H]5COC6	V9Q	(3s)-3-(1h-indol-4-yl)-n7-methyl-n5-[(1r,5s)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
+c1ccc(cc1)CCOc2ccc(nc2C(=O)O)c3ccc4c(c3)/C(=N/Nc5nc(cs5)C(=O)NCc6ccccc6)/CCC4	V9S	6-[(8e)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid
+CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(cc3O)CN4CC5([C@@H]4C6CC6)CCC5)O	V9T	4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3r)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide
+c1cc(sc1CCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	V9V	n-(5-{3-[(1s,7r,8r,9s)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-l-glutamic acid
+CC1(CCN(CC1)Cc2ccc3c(c2)nc([nH]3)C[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C	V9W	(3~{r})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{h}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol
+c1cc(oc1C(=O)NO)C(=O)NO	V9Y	n~2~,n~5~-dihydroxyfuran-2,5-dicarboxamide
+Cc1cc(cc(c1OC)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC	V9Z	n-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide
+CCCCCC\C=C/CCCCCCCCCCOC(=O)C	VA	(z)-octadec-11-enyl acetate
+B(c1cc2cc(ccc2s1)CN(C=O)C=O)(O)O	VA1	{5-[(diformylamino)methyl]-1-benzothien-2-yl}boronic acid
+[O-]=[V]([O])(O[V](=O)=O)O[V](=O)=O	VA3	trivanadate
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O)N	VA4	5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@H](O3)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O)N	VA5	9-{5-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-d-threo-pentofuranosyl}-9h-purin-6-amine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O)N	VA6	9-{2-deoxy-5-o-[(s)-{[(s)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-erythro-pentofuranosyl}-9h-purin-6-amine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N	VA7	2'-deoxy-5'-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
+CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5cccc6c5[nH]cn6)O)C	VA8	~{n}-[[(3~{r})-1-[6-(3~{h}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide
+CC(C)[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	VAA	n-[valinyl]-n'-[adenosyl]-diaminosufone
+C=CCSc1nc2ccc(cc2s1)NC(=O)CCC(=O)O	VAB	4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid
+c1ccc(cc1)C[C@H](CC(C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	VAC	n,n-bis(2-hydroxy-1-indanyl)-2,6- diphenylmethyl-4-hydroxy-1,7-heptandiamide
+CC(C)[C@H](C(=O)O)O	VAD	deaminohydroxyvaline
+c1ccc(cc1)/C=C(\C(=O)O)/Oc2cccc(c2O)C(=O)O	VAE	3-{[(e)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid
+CC(C)[C@@H](C(=O)C)N	VAF	methylvaline
+CC[C@H]([C@@H](C(=O)O)N)O	VAH	(3r)-3-hydroxy-l-norvaline
+CC(C)[C@@H](C(O)O)N	VAI	(2s)-2-amino-3-methylbutane-1,1-diol
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O	VAJ	[1,1'-biphenyl]-3,4'-dicarboxylic acid
+CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O)O	VAK	methyl (1r,2r,4s)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
+CC(C)[C@@H](C(=O)O)N	VAL	valine
+CC(C)[C@@H](C(=O)[O-])[NH-]	VAL_LEO2	l-valine c-terminal deprotonated fragment
+CC(C)[C@@H](C(=O)O)[NH-]	VAL_LEO2H	l-valine c-terminal protonated fragment
+CC(C)[C@@H](C(=O)O)N	VAL_LFOH	l-valine free neutral
+CC(C)[C@@H](C(=O)[O-])[NH3+]	VAL_LFZW	l-valine free zwitterion
+CC(C)[C@@H]([C-]=O)[NH-]	VAL_LL	l-valine - linking embedded fragment
+CC(C)[C@@H]([C-]=O)[NH3+]	VAL_LSN3	l-valine n-terminal protonated fragment
+c1cc(c(cc1C#N)c2cc(ccn2)C(=O)O)O	VAO	2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid
+CC1=CC(=O)N(c2c1cc(c(c2OC)OC)OC)C	VAP	6,7,8-trimethoxy-1,4-dimethylquinolin-2(1h)-one
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4O)CN5CC6([C@@H]5C7CC7)CCC6)O	VAQ	4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-n-[[(3r)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+c1cnc(n2c1c(c3c2nccc3O)c4ccnc(n4)N)N	VAR	9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol
+CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O	VAS	(2s,4s,5s)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)CCCC6)O	VAT	4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+C[C@]1(C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O)O	VAU	(1~{r},3~{r},4~{s},5~{r})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid
+COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CCNCCc2c[nH]c3c2cccc3)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	VAW	(2s,3r,4s)-methyl 4-(2-(2-(1h-indol-3-yl)ethylamino)ethyl)-2-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-3-vinyl-3,4-dihydro-2h-pyran-5-carboxylate
+C[C@@](c1cccc(n1)Br)(c2cc(sc2)C(=O)c3cncnc3N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N)O	VAY	{(1r,2r,3s,4r)-4-[(5-{4-[(1s)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate
+CS[C@@H]([C@H](C(=O)O)OC(=O)[C@H](C[S@H]=O)NC(=O)CCC[C@@H](C(=O)O)N)O	VAZ	n^6^-{(1r)-2-{[(1s,2r)-1-carboxy-2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-1-[(oxidosulfanyl)methyl]-2-oxoethyl}-6-oxo-l-lysine
+CC[C@@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	VB1	n^6^-[(1r)-2-{[(1s)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine
+CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@]3(CCCN(C3)c4cc(ncn4)NC)O)C	VB2	4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{n}-[[(3~{s})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide
+C[C@@H](CC1CCCCC1)NCc2ccccc2O	VB3	2-({[(2s)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](Cc2c[nH]c3c2cccc3)C(=O)O)O	VB4	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-d-tryptophan
+CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C	VB5	4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{n}-[[(3~{r})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide
+c1ccc2c(c1)CCO[C@H]2c3cc(sc3)C(=O)c4cncnc4N[C@@H]5C[C@@H]([C@H](C5)O)COS(=O)(=O)N	VB7	{(1r,2s,4r)-4-[(5-{4-[(1r)-3,4-dihydro-1h-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate
+CC1(CCN(CC1)Cc2ccc(c(c2)SC)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C	VB8	4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+c1ccc(cc1)Cn2ccc(n2)C(=O)c3cncnc3N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N	VBA	[(1r,2r,3s,4r)-4-{[5-(1-benzyl-1h-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)N	VBC	3-(4-aminophenyl)benzoic acid
+C[C@H]1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C	VBD	(7s)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+CC1=CC(=CN(C1=O)C)C(=O)N(C[C@@H](C)c2ccccc2)CC(=O)NC	VBE	1,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-n-[(2s)-2-phenylpropyl]pyridine-3-carboxamide
+CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)OCc4c(cccc4F)C#N)S(=O)(=O)c5ccc(cc5)F	VBG	2-({[2-(4-{(3r)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile
+CC1=CC(=CN(C1=O)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC	VBH	n-(2,2-diphenylethyl)-1,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide
+CC1=C([C@H](N2C(=N/C(=N/C(=O)OC)/N2)N1c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C#N	VBM	methyl {(7r)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}carbamate
+C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)NCCCN(CCCNC(=O)c3cccc(c3O)O)C(=O)[C@@H]4[C@H](OC(=N4)c5cccc(c5O)O)C	VBN	(4s,5r)-n-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-n-[3-({[(4s,5r)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
+c1cc(ccc1CN2C(=O)C=CN(C2=O)C[C@H](C(=O)O)N)C(=O)O	VBP	4-({3-[(2r)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)benzoic acid
+CCn1c2c(c(ncn2)c3ccc4c(c3)[C@](C(=O)N4)(C)Cc5ccccc5)nc1c6cnc(nc6)C	VBS	(3s)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9h-purin-6-yl]-3-methyl-1,3-dihydro-2h-indol-2-one
+c1cc(ccc1c2ccc(cc2)S(=O)(=O)O)S(=O)(=O)O	VBV	[1,1'-biphenyl]-4,4'-disulfonic acid
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)C=C	VBY	5-(acryloylamino)-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide
+c1ccc(cc1)C[N@]2C[C@]3([C@H](C[C@@H]2[C@H]([C@H]3O)O)CO)O	VBZ	(1r,4r,5r,7r,8r)-2-benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol
+COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccc(cc3)F)Cl)O)O	VC1	methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate
+CC1([C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O)C	VC2	(3s,5s,7ar)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
+c1cc(ccc1c2cc[nH]n2)[N+](=O)[O-]	VC3	3-(4-nitrophenyl)-1h-pyrazole
+COC(=O)c1c(cc(c(c1CCc2cccnc2Cc3ccccc3)Cl)O)O	VC4	methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate
+COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccccc3)Cl)O)O	VC5	methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate
+C1[C@@H]([C@@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O	VC6	4-amino-1-{5-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-l-threo-pentofuranosyl}pyrimidin-2(1h)-one
+CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O	VC7	5'-o-[(r)-hydroxy(methyl)phosphoryl]guanosine
+C1[C@@H]([C@@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O	VC8	4-amino-1-{2-deoxy-5-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-l-threo-pentofuranosyl}pyrimidin-2(1h)-one
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O	VC9	2'-deoxy-5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+CCCCCCC=CCCCCCCCCCC(=O)O	VCA	vaccenic acid
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C	VCD	4-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1h-indole
+c1cc(c(c(c1)O/C(=C/C2CC2)/C(=O)O)O)C(=O)O	VCE	3-{[(e)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid
+CCCCCCCC/C=C/CCCCCCCC(=O)OCCOC[C@@H]([C@@H]1[C@@H](C[C@@H](O1)OCCO)OCCO)OCCO	VCG	2-hydroxyethyl 2-deoxy-3,5-bis-o-(2-hydroxyethyl)-6-o-(2-{[(9e)-octadec-9-enoyl]oxy}ethyl)-alpha-l-xylo-hexofuranoside
+CC(=O)N1Cc2cc(ccc2[C@@H]1C(=O)Nc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)C	VCH	(1~{r})-2-ethanoyl-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide
+c1cc(ccc1F)[P+](c2ccc(cc2)F)(c3ccc(cc3)F)c4ccc(cc4)F	VCJ	tetrakis(4-fluorophenyl)phosphanium
+CCS(=O)(=O)c1ccc(cc1)[C@@H](CC(=O)NC)C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O	VCK	(2~{r})-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{n}'-methyl-butanediamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C[C@H]2c3ccccc3NC2=O)C(=O)O)O	VCP	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@H]2c3ccccc3NC2=O)C(=O)O)[O-]	VCS	4-[(e)-({1-carboxy-2-[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
+CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CNC6)C	VCV	n-(6-{5-[(azetidin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-1-[1,1-di(pyridin-2-yl)ethyl]-1h-indol-4-yl)ethanesulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H](CO)O)O)O)O)S(=O)(=O)O	VCW	[(2s,3s,4s,5r,6s)-6-[(2r)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
+COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)OC	VCY	[2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
+CC[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	VD1	5-{2-[1-(1-methyl-propyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methylene-cyclohexane-1,3-diol
+CC1[C@@H](CC(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)C[C@H]1O)O	VD2	5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methyl-cyclohexane-1,3-diol
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C	VD3	(1s,3z)-3-[(2e)-2-[(1r,3ar,7as)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethyli dene]-4-methylidene-cyclohexan-1-ol
+C/C(=C/1\CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O	VD4	(1r,3r,7e,17z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol
+C/C(=C\1/CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O	VD5	(1r,3r,7e,17e)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol
+CC(C)(C)c1cc(cc(c1)S(=O)(=O)N)C(C)(C)C	VD8	3,5-di~{tert}-butylbenzenesulfonamide
+CCCSc1ccc(cc1)S(=O)(=O)N	VD9	4-(propylsulfanyl)benzenesulfonamide
+CCC(CC)(CS[C@@H](C)C1=CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O	VDA	(1r,2r,3r,5z)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol
+CCC(CC)(CS[C@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O	VDB	(1r,2s,3r,5z,7e)-17-{(1r)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC2CCC(CC2)(F)F	VDJ	[4,4-bis(fluoranyl)cyclohexyl]methyl ~{n}-[(2~{s})-1-[[(1~{r},2~{s})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
+C1C[C@@H](C[C@H](C1)[NH3+])C(=O)O	VDK	[(1s,3s)-3-carboxycyclohexyl]azanium
+C[C@H]([C@H](C(=O)O)N)N	VDL	(2r,3r)-2,3-diaminobutanoic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)CO	VDM	(1s,2s,3r,6s)-4-(hydroxymethyl)-6-{[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol
+CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C	VDN	2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1h)-one
+C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)COP(=O)(O)O	VDO	[(1r,2r,3s,4s,5s)-2,3,4-trihydroxy-5-{[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]methyl dihydrogen phosphate
+C[C@H](C[C@H]1C[C@@](C(=O)N1CCCCc2ccccc2)(C)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C/5\C[C@H](C[C@@H](C5=C)O)O)C	VDP	(3r,5s)-5-[(2r)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[(2z)-2-[(3s,5r)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(4-phenylbutyl)pyrrolidin-2-one
+c1cc(ccc1N)N2CCOCC2	VDQ	4-morpholin-4-ylaniline
+C([C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O	VDS	beta-d-allofuranose
+C([C@H]([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O)O	VDV	alpha-d-allofuranose
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+]	VDW	[(2~{s})-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	VDX	5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](CCC3=C)O)C	VDY	3-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexanol
+C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	VDZ	5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methylene-cyclohexane-1,3-dio l
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@]2(c3ccccc3NC2=O)O)C(=O)O)[O-]	VE4	4-[(e)-({1-carboxy-2-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
+CNC(=O)c1cc(n(n1)Cc2ccccc2)C(=O)NC3CC3	VE5	n5-cyclopropyl-n3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
+COc1ccc(cc1)c2c(c3ccc(cc3o2)c4cccc(c4)OC)CC(=O)O	VE7	[6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
+Cc1c2cc3[n+]4c([o+]c5c(c(c6n5[Fe@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C	VEA	5-oxa-protoporphyrin ix containing fe
+C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	VEB	[oxidanyl-[(2~{s},3~{s},5~{r},6~{s})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid
+COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)C(=O)O	VED	3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)NCCCCCCCCN=[N+]=[N-]	VEE	(1r,2s,3r,4s,5r,6r)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCC(=O)OCC	VEG	ethyl n-[(2r)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate
+Cc1c(sc(n1)Nc2cccc(n2)C(=O)NCCCN(C)C)c3cc4c(c(c3)S(=O)(=O)NC)C(=O)N(C4)[C@@H](C)C5CC5	VEH	6-[[5-[2-[(1s)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-n-[3-(dimethylamino)propyl]pyridine-2-carboxamide
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCCOC	VEJ	n-(4-tert-butylphenyl)-n-[(1r)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5cncn5C)Br	VEK	6-bromo-2-(1-methyl-1h-imidazol-5-yl)-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl}-1h-imidazo[4,5-b]pyridine
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCOC	VEM	n-(4-tert-butylphenyl)-n-[(1r)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+Cc1c(sc(n1)Nc2cccc(n2)N3CCCC3=O)c4cc5c(c(c4)S(=O)(=O)C)C(=O)N(C5)[C@@H](C)C6CC6	VEN	2-[(1s)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3h-isoindol-1-one
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC3CCOCC3	VEP	n-(4-tert-butylphenyl)-n-[(1r)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4ccc(cc4)CN(C)C)C(=O)N(C3)[C@@H](C)C5CC5	VEQ	n-[5-[2-[(1s)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
+Cc1c2n3c(c1C=C)[O+]=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5)C(=C8CCC(=O)O)C)C=C)C	VER	iron-octaethylporphyrin
+C1CCNC1	VES	pyrrolidine
+C[C@]1(C(=O)NC(=O)N1[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(O)O)O	VET	[(1r,2s,4r)-2-hydroxy-4-[(5r)-5-hydroxy-5-methyl-2,4-dioxo-imidazolidin-1-yl]cyclopentyl]methyl dihydrogen phosphate
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC	VEV	n-(4-tert-butylphenyl)-n-[(1r)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4cccc(c4)S(=O)(=O)C)C(=O)N(C3)[C@@H](C)C5CC5	VEW	n-[5-[2-[(1s)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCC	VEY	n-(4-tert-butylphenyl)-n-[(1r)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@@H]2c7ccccc7)OC	VF1	(2r,3s,3ar,5ar,6r,11br,11cs)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1h-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol
+CN(C)c1ccc(cc1)/C=C/c2cc[n+](cc2)CCCCCCCCl	VF2	4-[(e)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-n,n-dimethyl-aniline
+C[C@@H]1CCC[C@H](C1)O	VF4	(1r,3s)-3-methylcyclohexan-1-ol
+COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4	VFA	n-[(3-methoxyphenyl)methyl]-5h-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
+c1ccc2c(c1)[nH]c3[n+]2nc[nH]3	VFB	3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium
+C[C@H](C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)F	VFC	n-[(2r)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+COc1ccc2c(c1OCc3ccccc3)C[C@H](N(C2)C(=O)C(c4ccccc4)c5ccccc5)C(=O)O	VFD	olodanrigan
+CNC(=O)CN(Cc1ccc(cc1)n2cncn2)C(=O)CSc3ccccc3Cl	VFE	2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-n-methyl-ethanamide
+CCC(=O)Nc1nnc(s1)S(=O)(=O)N	VFG	n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
+CCCC(=O)Nc1nnc(s1)S(=O)(=O)N	VFJ	n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
+CC(C)C(=O)Nc1nnc(s1)S(=O)(=O)N	VFM	2-methyl-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
+c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3nnc(o3)N)Cl	VFN	~{n}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]ethanamide
+Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c4ccoc4ccn3	VFP	6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1h,3h)-dione
+COc1cc(ccc1c2c[nH]nc2)C(=O)N[C@H](CO)c3ccccc3	VFS	n-[(1s)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1h-pyrazol-4-yl)benzamide
+c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3c[nH]cn3)Cl	VFT	2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-(1~{h}-imidazol-4-ylmethyl)ethanamide
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F	VFV	n-[(1r)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1h-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
+CCc1ccccc1OCC(=O)N(Cc2ccc(cc2)n3cncn3)CC(=O)NC	VFW	2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{n}-methyl-ethanamide
+CC1=C([C@H](C(=C(N1)C)[N+](=O)[OH-])c2ccccc2C(F)(F)F)C(=O)OC	VFY	methyl (4~{r})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
+c1ccc(c(c1)SCC(=O)N(Cc2nnc(o2)N)CC3=CNC(=O)C=C3)Cl	VFZ	~{n}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{n}-[(6-oxidanylidene-1~{h}-pyridin-3-yl)methyl]ethanamide
+CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)CCCC(C)C)O	VG0	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O	VG1	alpha-d-glucose-1-phosphate-6-vanadate
+Cc1cc(cc(c1OCCN)C)C(=O)Nc2cc(cc(c2)Cl)N3CCCCC3	VG2	4-(2-aminoethoxy)-n-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
+CCCCCS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CN[C@@H](C)C(=O)NC3CCCCC3)O	VG3	n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
+CCCOc1cc(cc(c1)N2C=CCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O	VG4	n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1h-pyrrol-1-yl)-5-propoxybenzamide
+CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O	VG5	 n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
+CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O	VG6	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
+CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CCCCC4)O	VG7	n-[(1s,2r)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
+CN1Cc2c(ccc(c2C1=O)Nc3c(cnc(n3)Nc4ccccc4OC)Cl)N5CCC(CC5)N6CCCCC6	VG8	4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl}amino)-2-methyl-2,3-dihydro-1h-isoindol-1-one
+CCOc1ccc(c(c1)NCc2cnc3c(c2C)c(nc(n3)N)N)OCC	VG9	6-{[(2,5-diethoxyphenyl)amino]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
+c1ccc(cc1)C2=N[C@@H](C(=Nc3c2cccc3)N4CC(C4)O)c5cccs5	VGA	1-[(3s)-5-phenyl-3-thiophen-2-yl-3h-1,4-benzodiazepin-2-yl]azetidin-3-ol
+CCC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3	VGB	(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium
+Cn1c2cc(sc2c(c1c3ccccc3)C4CCCCC4)C(=O)O	VGC	6-cyclohexyl-4-methyl-5-phenyl-4h-thieno[3,2-b]pyrrole-2-carboxylic acid
+c1cc2c(cc1Cl)[nH]c(n2)N	VGD	6-chloro-1h-benzimidazol-2-amine
+c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl	VGF	1-(3,4-dichlorobenzyl)-7-phenyl-1h-benzimidazol-2-amine
+Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N	VGG	1-tert-butyl-3-(3-methylbenzyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4	VGH	3-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1h-pyrazol-4-yl)pyridin-2-amine
+c1cc(cc(c1)Br)N2C(=O)c3cccc4c3c(ccc4NCCO)C2=O	VGI	2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione
+CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)O	VGJ	(3r,7s,11s)-3,7,11,15-tetramethylhexadecanoic acid
+COc1cc(cc(c1OC)OC)c2cc(c(nc2)N)c3ccc(cc3)C(=O)O	VGK	4-[2-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]benzoic acid
+c1cnc(cn1)C(=O)O	VGL	pyrazine-2-carboxylic acid
+COc1cc(ccc1O)c2cc(c(nc2)N)c3ccc(cc3)C(=O)N	VGM	4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)pyridin-3-yl]benzamide
+CC(=O)Nc1ccc(cc1C(=O)O)c2ccc(cc2)c3ccccc3	VGN	2-acetamido-5-(4-phenylphenyl)benzoic acid
+C[C@H]([C@H]1[C@@H]([C@H]([C@H](O1)c2ccc(c3c2c4c(cc3OC)-c5c(cc(cc5OC)C=C)[C@@H](O4)O)O)O)O)O	VGP	(1r)-1,4-anhydro-6-deoxy-1-[(6r)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6h-dibenzo[c,h]chromen-4-yl]-d-galactitol
+c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3nnc(o3)O)Cl	VGQ	2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide
+CC(C)(C)C(=O)Nc1nnc(s1)S(=O)(=O)N	VGS	2,2-dimethyl-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
+C1CCC(CC1)C(=O)Nc2nnc(s2)S(=O)(=O)N	VGV	n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
+CC(C)(c1ncc(cn1)C2CC2)NC3=CC(=O)N(c4c3cc(cc4)Nc5ccnc(c5C#N)Cl)C	VGW	2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
+C(CO)C(=O)C(=O)O	VGX	4-hydroxy-2-oxobutanoic acid
+C[C@H](c1ccccc1F)Nc2c3cc(ccc3ncc2Cl)c4cnc(nc4)C(C)(C)O	VGY	2-[5-(3-chloro-4-{[(1r)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
+c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CN	VH0	(2s,4s)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid
+c1cc2cc(cc3c2c(c1)C(=O)N(C3=O)Cc4ccc(cc4)N)S(=O)(=O)O	VH1	2-(4-aminobenzyl)-1,3-dioxo-2,3-dihydro-1h-benzo[de]isoquinoline-5-sulfonate
+c1ccc2c(c1)cccc2S(=O)(=O)Nc3nc(c(s3)Cc4ccc(cc4)Br)O	VH2	n-[5-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-yl]naphthalene-1-sulfonamide
+CC(C)(C1CCC(CC1)NC(=O)N2CCc3c(cnn3c4cccc(c4)F)C2)O	VH4	1-(3-fluorophenyl)-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide
+CN1CCN(CC1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl	VH5	2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile
+CC(C)(C1CCC(CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4)O	VH7	n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
+CNC(=O)CNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl	VH8	2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-ethanamide
+Cc1ccc2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCCO2	VHA	22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine
+Cn1cc(cn1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl	VHB	2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile
+Cc1cc(c2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCNC2=O)C	VHC	4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one
+CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2	VHD	4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)-6-(1-methylethyl)benzene-1,3-diol
+Cc1cc(c2cc1-c3cc(nc(n3)N)SCCC(=O)NCCCNC2=O)C	VHE	4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione
+CCC1=C(NC(=O)[C@H]1C)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C	VHG	3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-5-[[(3~{s})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CN1[C@H]2CS[C@H]([C@H]2N(C1=O)C)CCCCC(=O)O	VHH	5-[(3as,4s,6ar)-1,3-dimethyl-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid
+c1ccc(cc1)COC(=O)N2[C@H]3CS[C@H]([C@H]3NC2=O)CCCCC(=O)O	VHI	5-{(3as,4s,6ar)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl}pentanoic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3	VHJ	n-[(benzyloxy)carbonyl]-l-valyl-n-{(2s)-1-hydroxy-3-[(3r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl]propan-2-yl}-l-phenylalaninamide
+CCNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl	VHK	2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile
+CC(C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3	VHM	n-[(benzyloxy)carbonyl]-l-valyl-3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-alaninamide
+C[C@@H](C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl	VHN	(2s)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-propanamide
+C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2)OC(C)(C)C	VHP	n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+CN1c2ccc(cc2C=CC1=O)Nc3ccnc(c3C#N)Cl	VHQ	2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile
+C[C@@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4	VHS	3-[(1s)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
+COC(=O)CNC1=C(C(=O)N(c2c1cccn2)O)C(=O)NCc3ccc(cc3F)F	VHT	methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2	VHV	n-[(benzyloxy)carbonyl]-l-valyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+CCC1(CC/C(=C\[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H]([C@@H]([C@@H](C4=C)O)OCCCO)O)C)/C1=O)C(=O)OC	VHW	methyl (1s,3e)-3-{(2r)-2-[(1r,3as,4e,7ar)-4-{(2z)-2-[(3r,4s,5r)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1h-inden-1-yl]propylidene}-1-ethyl-2-oxocyclopentanecarboxylate (non-preferred name)
+CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC	VHY	(2r)-3-(phosphonooxy)propane-1,2-diyl dibutanoate
+C[C@H](C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl	VHZ	(2r)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-propanamide
+c1ccc(cc1)c2c(c(n(n2)c3ccccc3)C(=O)O)C(=O)O	VI	1,3-diphenyl-1h-pyrazole-4,5-dicarboxylic acid
+CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C	VIA	5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1h,6h,7h-pyrazolo[4,3-d]pyrimidin-7-one
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO	VIB	3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)C)F)O)/C	VIF	flopristin
+CC[C@H](CCC(=O)O)N	VIG	4-amino hexanoic acid
+c1ccc(cc1)c2c(c(c(o2)c3ccccc3)C(=O)O)C(=O)O	VII	2,5-diphenylfuran-3,4-dicarboxylic acid
+CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)C=NC4=O	VIN	12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12h)-one
+CCCC(=[NH2+])NCCC[C@@H](C(=O)O)N	VIO	n5-(1-imino-3-butenyl)-l-ornithine
+Cc1cc(c(c(c1S(=O)(=O)Nc2c(nn(c2C)C)C)C)C)OC	VIQ	4-methoxy-2,3,6-trimethyl-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+C[C@@H]1\C=C\C(=O)NC\C=C\C(=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)\C	VIR	virginiamycin m1
+CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)Nc2ccc(c(c2)c3ccccn3)Cl	VIS	2-chloranyl-~{n}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide
+Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C	VIT	vitamin e
+Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C	VIV	(2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]chroman-6-ol
+CCCCCCCCCCC[C@H](C[C@H](O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O	VJ1	2-deoxy-3-o-[(1r,3r)-1,3-dihydroxytetradecyl]-2-{[(3r)-3-hydroxytetradecanoyl]amino}-1-o-phosphono-alpha-d-glucopyranose
+CC(C)(c1ncccn1)NC2=CC(=O)N(c3c2cc(cc3)Nc4ccnc(c4C#N)Cl)C	VJ2	2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
+CCCCCCCC[C@H](C[C@@H](N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)O)O)OC(=O)CCCC	VJ4	2-deoxy-2-{[(1s,3r)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-o-phosphono-alpha-d-glucopyranose
+C[C@H](c1ncccn1)NC2=CC(=O)N(c3c2cc(cc3)Nc4ccnc(c4C#N)Cl)C	VJ5	2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1r)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile
+C[C@H]1/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)Nc2cc(cc(c2)OC)COC[C@@H]([C@@H]1OC)OC)\C)OC(=O)N)OC(=O)N)\C	VJ6	valerjesomycin
+CC(C)C[C@@H](C(=O)N[C@H](C[C@@H]1CCNC1=O)CO)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2	VJA	n-[(benzyloxy)carbonyl]-l-valyl-n-{(2r)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+Cc1nnc(o1)CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl	VJE	2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide
+c1cc(ccc1c2[nH]nnn2)C(=O)[C@@H]3CCC[C@H]3CC(=O)O	VJG	{(1s,2r)-2-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid
+Cc1cc([nH]n1)Nc2cc(nc(n2)Nc3ccc(cc3)CC(=O)Nc4cccc(c4)F)c5cnn(c5)CCN(C)C	VJH	2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{h}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{n}-(3-fluorophenyl)ethanamide
+c1ccc(cc1)Oc2cccc(c2)C(=O)O	VJJ	3-phenoxybenzoic acid
+CC[C@](C)(C(=O)NCC(F)(F)F)Nc1ccnc(n1)c2c[nH]c3c2cccn3	VJK	(2r)-2-methyl-2-[[2-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-n-[2,2,2-tris(fluoranyl)ethyl]butanamide
+C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(CC5)[S@](C)(N)O	VJM	4-(4-{1-[(r)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3r)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1h-pyrrolo[2,3-b]pyridine
+CC(C)Oc1ccc2c(c1)-c3ccsc3NC2=O	VJN	8-propan-2-yloxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
+c1cc(ccc1N)S(=O)(=O)N2CCCCC2=O	VJP	1-[(4-aminophenyl)sulfonyl]piperidin-2-one
+c1cc(ccc1CC(=O)O)C(=O)[C@@H]2CCC[C@H]2C(C(=O)O)C(=O)O	VJS	{(1r,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid
+CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)ccc(n3)C)NC(=O)[C@H]4CC45CCN(CC5)C)(O)O	VJV	(1s)-n-{(1s)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1h-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
+Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5cnn(c5C)C	VJZ	5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{n}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{n}-methyl-1,3,4-oxadiazol-2-amine
+C[C@@H]1COCCN1c2cc(nc(n2)SC)C3(CC3)S(=N)(=O)N	VK1	1-{6-[(3r)-3-methylmorpholin-4-yl]-2-(methylsulfanyl)pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide
+Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5c(nn(c5C#N)C)C	VK2	4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile
+CC1=CC(=O)c2ccccc2C1=O	VK3	menadione
+C[C@@H]1C[C@@H](CCN1C(=O)C2CCCC2)Oc3cc(cc(c3Cl)NC(=O)C[C@@H](CCC(=O)O)c4ccccc4)Cl	VK4	(4r)-6-[(2,5-dichloro-3-{[(2r,4r)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid
+Cc1cc(cnc1c2nnc(o2)N(C)Cc3ccc4ncc(n4c3)c5ccc(cc5)CN(C)C)c6c(nn(c6C)C)C	VK5	~{n}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{n}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine
+c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3cc(c(c4)C(C(F)(F)F)(C(F)(F)F)F)C#N)C(=O)C5CCC(CC5)C(=O)O	VK7	trans-4-[(3ar,9br)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCC(=O)NCCN4CCN(CC4)Cc5cccc(c5)c6ccc(c(c6)NC(=O)C7=C(CC(=O)N=C7)C(F)(F)F)N8CCN(CC8)C)O	VKA	3-methyl-n-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-l-valyl-(4r)-4-hydroxy-n-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-l-prolinamide
+C(COCC(=O)O)O	VKC	(2-hydroxyethoxy)acetic acid
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@H]4CCCCN4)O	VKD	cobimetinib
+c1c2c(cc3c1OCO3)OC(=O)C=C2CP(=O)(O)O	VKE	[(6-oxo-2h,6h-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid
+CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NS(=O)(=O)NC)C5CC5	VKG	n-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2h)-yl}phenyl)-n'-methylsulfuric diamide
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)[NH3+]	VKH	(1~{r},2~{r},3~{s},4~{r},5~{r},6~{r})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H]([C@H]([C@@H]4O)O)O)NC6=Nc7c(ncn7[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O)C(=O)N6	VKJ	2'-deoxy-n-[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine 5'-(dihydrogen phosphate)
+c1cc(ccc1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	VKK	p-coumaroyl glucose
+Cn1cnc2c1C(=O)N(C=N2)Cc3nc(no3)[C@H]4C[C@@H](OC4)c5ccc(cc5)F	VKM	1-({3-[(3r,5r)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6h-purin-6-one
+C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O	VKN	(1r,2s,4s,5r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
+CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)N	VKP	6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine
+CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ccc(nc4)C(=O)NC	VKQ	5-[4-[(3-ethyl-2-oxidanylidene-1~{h}-quinolin-7-yl)methyl]piperazin-1-yl]-~{n}-methyl-pyridine-2-carboxamide
+C[C@H]1[C@H](C2(CCN(CC2)c3cnc(c(n3)N)Sc4ccnc(c4Cl)N)CO1)N	VKS	(3s,4s)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
+CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ncc(n4C)C	VKT	7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{h}-quinolin-2-one
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO	VKV	2-{[(5z,8z,11z,14z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol
+Cc1cnc(n1C)N2CCN(CC2)CCCC3=Nc4c(cccc4Cl)C(=O)N3	VKW	8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{h}-quinazolin-4-one
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N)Cl)C	VKZ	4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
+CN(C)C1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6	VL1	gedatolisib
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N(=O)=O)Cl)C	VL2	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
+CN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	VL4	(2s)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+[H]/N=C(/c1ccc(cc1)OC[C@@H](C(=O)O)O/N=C(/c2csc(n2)N)\C(=O)N[C@H](C=O)C(C)(C)NOS(=O)(=O)O)\N[C@@H]3CCCNC3	VL5	(2s)-2-[(z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2s)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[n-[(3r)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO	VL7	1,3-dihydroxypropan-2-yl (9z,12z)-octadeca-9,12-dienoate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=Nc3c(nc(nc3N)N)CC2	VLA	n-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-l-glutamic acid
+CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O	VLB	(2alpha,2'beta,3beta,4alpha,5beta)-vincaleukoblastine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O	VLD	(2s)-2-({4-[({(6r)-2,4-diamino-5-[(1-{(2r,4s,5r)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name)
+CCC(=O)N1CCN2c3c4c(cc(c(c4OCC[C@H]2C1)Cl)c5c(ccc6c5c[nH]n6)C)ncn3	VLE	1-[(6as)-3-chloro-2-(5-methyl-1h-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8h-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one
+COc1cccc(c1)c2ccc(cc2)C(=O)O	VLG	3'-methoxy[1,1'-biphenyl]-4-carboxylic acid
+C[C@H]([C@@H](C(=O)O)N)N	VLL	(2s)-2,3-diaminobutanoic acid
+CC(C)[C@@H](C(=O)N)N	VLM	valinylamine
+CCCCCCCCCCCCCCCC(=O)OC(CO)CO	VLP	1,3-dihydroxypropan-2-yl hexadecanoate
+C(C(=O)O)NC(CO)(CO)CO	VLS	n-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine
+c1cc(ccc1C[C@@H](/C=C/C(=O)O)N)O	VLT	(2e,4s)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid
+Cc1c(sc(n1)NC(=O)NCCC(=O)NC(C)(C)C)c2ccc(cc2)C(=O)C	VLV	n~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-n-tert-butyl-beta-alaninamide
+C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4	VLY	1-methyl-5-phenyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CCCCCCCCCCCC(=O)OC(CO)CO	VLZ	1,3-dihydroxypropan-2-yl dodecanoate
+c1cc(sc1)c2cc(cnc2)C(=O)O	VM1	5-(2-thienyl)nicotinic acid
+C1CCC(CC1)CN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	VM2	(1r,2s,3s,4r,5r)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol
+C[C@H](c1cccc(c1)O)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4	VM4	6-{[(1r)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O	VM7	3-(3-methylsulfonylphenyl)benzoic acid
+C[C@H](c1ccccn1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4	VMA	1-methyl-5-phenyl-6-{[(1r)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CN1CCC[C@H]1CCn2cnc(c2c3ccc(c(c3)OC)O)c4ccccc4	VMC	2-methoxy-4-(1-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1h-imidazol-5-yl)phenol
+CC(C)[C@@H](C(=O)OC)N	VME	methyl l-valinate
+C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CCO	VMG	5-{4-[(z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CO	VMJ	5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CN/C(=N\O)/[C@@H]1c2c(cnn2C)[C@H](CN1C(=O)O)NOS(=O)(=O)O	VMM	etx0462 (bound form)
+c1ccc2cc(ccc2c1)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	VMP	n-[[(2r,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide
+CC(C)[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	VMS	5'o-[n-(l-valyl)sulphamoyl]adenosine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CCc3c(c(nc(n3)N)N)N2	VMV	n-[4-({[(6s)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-l-glutamic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)CCCN)O)O)N	VMX	5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine
+Cc1csc(n1)[C@@](C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O	VMY	(1s)-1-(5-{[1-(2,6-difluorobenzyl)-1h-pyrazol-3-yl]amino}-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
+[H]/N=C(\c1ccc(c(c1)OC)OCc2cn(nn2)[C@H](c3cn(nn3)CCCCN)[C@@H](C)CC)/N	VN1	4-[(1-{(1s,2s)-1-[1-(4-aminobutyl)-1h-1,2,3-triazol-4-yl]-2-methylbutyl}-1h-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide
+O=[V-](=O)=O	VN3	vanadate ion
+[O-][V](=O)=O	VN4	oxido(dioxo)vanadium
+CCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O	VND	(1s,2s,3r,4s,5s)-5-(butylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+c1ccc(cc1)[C@H](Cn2ccnc2)NC(=O)c3ccc(cc3)c4ccc(cc4)Cl	VNF	4'-chloro-n-[(1r)-2-(1h-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl	VNI	n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
+CC(=O)c1ccccc1N	VNJ	2-aminoacetophenone
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H](C(C)C)O	VNK	n-hexanoyl-l-valyl-n~1~-[(3s,4s)-3-hydroxy-2,6-dimethylheptan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide
+COc1cc(ccc1O)C(=O)[O-]	VNL	4-hydroxy-3-methoxybenzoate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O	VNM	(2s)-2-({4-[({(6s)-2,4-diamino-5-[(1-{(2r,4s,5r)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name)
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(NP(=O)(O)O)O	VNP	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonoamino)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-i um
+C/C=C(\CCO[P@](=O)(O)OP(=O)(O)O)/C[C@]12C(=O)NC(=O)N=C1N(c3cc(c(cc3N2)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	VNR	1-deoxy-1-[(4ar)-4a-[(2z)-2-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3)C(=O)N(C4)[C@H](c5cc(ccc5O)F)C(=O)Nc6nccs6	VNS	(2r)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2h-isoindol-2-yl}-n-(1,3-thiazol-2-yl)acetamide
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4cncn4)c5ccc(cc5Cl)Cl	VNT	n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
+C/C(=C\[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/c2ccc(cc2)c3ccccc3	VNY	para-biphenyl methylene c-linked mannoside
+Cc1csc(n1)Nc2c(cccn2)OCc3ccccc3	VO1	3-(benzyloxy)-n-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
+Cc1cc(c(nc1)Nc2nc(cs2)C)OCc3ccccc3	VO2	3-(benzyloxy)-5-methyl-n-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
+[O-][V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])[O-]	VO3	tetrametavanadate
+[O-][V](=O)([O-])[O-]	VO4	vanadate ion
+CN(C)CCN(C)c1cc(c(cc1NC(=O)C=C)Nc2nccc(n2)c3c[nH]c4c3cccc4)OC	VO7	n-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide
+C=Cc1ccc(cc1)CS(=O)(=O)O	VOD	(4-vinylphenyl)methanesulfonic acid
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO	VOG	(1s,2s,3r,4s,5s)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+COc1ccc(cc1OC)CO	VOH	veratryl alcohol
+Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@@H](C)c3cc(ccc3n4cccn4)F	VOJ	3-{(1s)-1-[5-fluoro-2-(1h-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1h-pyrazol-4-yl)pyridin-2-amine
+CC(C)[C@@H](CO)N	VOL	l-valinol
+C[C@@H](c1cc(ccc1n2cccn2)F)Oc3cc4cc(ccc4nc3N)C(=O)N	VOM	2-amino-3-{(1s)-1-[5-fluoro-2-(1h-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide
+C[C@@H](c1cc2c(cc1n3cccn3)cnn2CC(=O)O)Oc4cc5cc(ccc5nc4N)F	VOP	[6-{(1s)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1h-pyrazol-1-yl)-1h-indazol-1-yl]acetic acid
+C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O	VOR	voriconazole
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C)C=C)C)CCC(=O)O	VOV	harderoheme (iii)
+CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)C)Oc4ccn5c(c4)ncn5	VOY	(2e)-n-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide
+CC(C)(C#Cc1ccc2c(c1)c-3c([nH]2)CCCc4c3nc(nc4)N)O	VP7	4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol
+[H]/N=C(\Cc1ccccc1)/N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O	VPA	2-phenyl-n-(6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)ethylamidine
+c1ccc2c(c1)c3n4c2N=C5c6ccccc6C7=[N]5[Ga]48N9C(=NC1=[N]8C(=N3)c2c1cccc2)c1ccccc1C9=N7	VPC	phthalocyanine containing ga
+COC[C@](CO)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(cn2)c(nc(n3)Cl)NC4CCCC4)O)O)P(=O)(O)O	VPD	6-chloro-n-cyclopentyl-1-{5-o-[(2r)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-d-ribofuranosyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O	VPF	n-(3-carboxypropanoyl)-l-valyl-n-[(1s)-2-phenyl-1-phosphonoethyl]-l-prolinamide
+c1ccc(c(c1)CNc2c3cnn(c3nc(n2)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)COCP(=O)(O)O)O)O)Cl	VPG	6-chloro-n-[(2-chlorophenyl)methyl]-1-[5-o-(phosphonomethyl)-beta-d-ribofuranosyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc(ccc1Nc2nc(nc(n2)N)CSc3nnc(s3)NCC4CCCO4)F	VPJ	n~2~-(4-fluorophenyl)-6-{[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
+CC(C)[C@@](CC(=O)O)(C(=O)O)O	VPM	(2s)-2-hydroxy-2-(propan-2-yl)butanedioic acid
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O	VPP	(2s,4s)-2-[(r)-carboxy{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CCCC(CCC)C(=O)N	VPR	2-propylpentanamide
+c1cc(cc(c1)Oc2nc(nc(n2)Nc3ccc(cc3)C#N)N)C(=O)O	VPS	3-({4-amino-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}oxy)benzoic acid
+CCCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	VPU	[[(3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] n-phenylcarbamate
+C(CC/N=C(\C[C@@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N	VPV	(2e,4r)-2-{[(5s)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
+CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/c4ccc(cn4)c5cccc(c5)F)[C@H](OC3=O)C	VPX	ethyl [(1r,3ar,4ar,6r,8ar,9s,9as)-9-{(e)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur an-6-yl]carbamate
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SC[C@@H](CO)O	VPY	s-[(2r)-2,3-dihydroxypropyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenethioate
+CC(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N(C)C)CO	VQ1	n-acetylpuromycin
+CN1C(=CC(=NC1=O)OCc2cc(c(c(c2)F)Oc3ccc(c(c3)C(F)(F)F)Cl)F)N4CCS(=O)(=O)CC4	VQ7	6-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrimidin-2-one
+C=C(c1ccccc1)[C@@]23CC[C@H]([C@@H]2CC(=C3c4ccccc4)CCCCCCCCCC(=O)O)O	VQA	10-[(3ar,6r,6ar)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid
+c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)[C@@H]4COCCN4C(=O)c5ccc(c(c5)F)F	VQD	(3r)-3-{4-[(3r)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1h-1,2,3-triazol-1-yl}-n-hydroxy-4-(naphthalen-2-yl)butanamide
+C[C@@H](c1cn(nn1)[C@H](Cc2ccc3c(c2)CCCC3)CC(=O)NO)NC(=O)c4ccc(c(c4)F)F	VQG	3,4-difluoro-n-[(1s)-1-{1-[(2r)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1h-1,2,3-triazol-4-yl}ethyl]benzamide
+Cc1cc2c(cc1O)CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C	VQI	(e)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1h-isoquinolin-1-yl)phenyl]prop-2-enoic acid
+c1cc2ccc(cc2nc1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(c(c4)F)F	VQJ	3,4-difluoro-n-({1-[(2r)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide
+Cc1cc(c(cc1Nc2ccc3c(c2F)C(=O)N(C=N3)C)NC(=O)NCCC(C)(C)C)F	VQP	n-(3,3-dimethylbutyl)-n'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea
+C[C@H]1COCCN1c2cc(nc(n2)c3ccc(cc3)NC(=S)NCCO)C4(CC4)S(=O)(=O)C5CC5	VQS	n-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3s)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-n'-(2-hydroxyethyl)thiourea
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)OP(=O)(O)O)O	VQV	1-(3,5-di-o-phosphono-alpha-l-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione
+C[N+](C)(C)CCOP(=O)(O)OCCCCCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4	VQY	9-[(3~{a}~{r},6~{r},6~{a}~{r})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{h}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate
+CC(C)CO[P@@](=O)(C)O	VR	2-methylpropyl hydrogen (r)-methylphosphonate
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)NC	VR0	n~5~-[n-(methylcarbamoyl)carbamimidoyl]-l-ornithine
+CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)NS(=O)(=O)c4ccc(cc4)[N+](=O)[O-]	VR1	(2s)-2-({(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-2-(4-fluorophenyl)-n-[(4-nitrophenyl)sulfonyl]acetamide
+C[C@@H](CCN1CCN(C1=O)c2ccncc2)CCOc3ccc(cc3)I	VR2	1-[(3s)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O)NC(=O)OCc3ccccc3	VR4	n-{(2s,3r)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}-n~2~-[(benzyloxy)carbonyl]-l-leucinamide
+c1cc(c(cc1c2ccsc2)C(=O)O)O	VR7	2-hydroxy-5-(thiophen-3-yl)benzoic acid
+COc1cc(c(c(c1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)Nc3ccc(cc3F)I)F)F	VRA	n-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2s)-2,3-dihydroxypropyl]cyclopropanesulfonamide
+CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	VRB	phycoviolobilin, blue light-absorbing form
+CCc1c(c2c(n1Cc3ccccc3)cccc2OCC(=O)O)C(=O)C(=O)N	VRD	({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1h-indol-4-yl}oxy)acetic acid
+[H]/N=C(\NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)C)/NC(=O)NC	VRG	n~2~-acetyl-n~5~-[n-(methylcarbamoyl)carbamimidoyl]-l-ornithyl-n-methyl-l-phenylalanyl-l-aspartic acid
+CC(C)(C)S(=O)(=O)NC(=O)c1ccc(cc1c2ccc3c(c2)OC[C@@H]([C@H]3O)Cc4ccccn4)F	VRJ	n-(tert-butylsulfonyl)-4-fluoro-2-{(3s,4r)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2h-1-benzopyran-7-yl}benzamide
+Cc1cc([nH]n1)c2cccnc2	VRM	3-(3-methyl-1h-pyrazol-5-yl)pyridine
+COc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O	VRO	5-[2-(4-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@@](CO)(C(=O)O)N)O)O	VRP	myriocin
+CCCC(C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N	VRT	2'-(l-norvalyl)amino-2'-deoxyadenosine
+c1ccc(cc1)C2=C(C(=O)NC(=C2)c3cc(ccc3O)Br)C#N	VRV	6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
+CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)O	VRX	(2s)-({(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)acetic acid
+c1ccc(cc1)CNC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	VRZ	1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea
+c1ccc(cc1)C(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	VS0	n-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)N4CCOCC4	VS1	3-[[n-[morpholin-n-yl]-carbonyl]-phenylalaninyl-amino]-5- phenyl-pentane-1-sulfonylbenzene
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Cc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4	VS2	3-[n-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccc(cc2)[N+](=O)[O-])NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4	VS3	3-[n-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid 4-nitro-phenyl ester
+CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)NOCc4ccccc4	VS4	3-[[n-[4-methyl-piperazinyl]carbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid benzyloxy-amide
+c1ccc(cc1)c2c3c([nH]c2c4ccccc4)nc(nc3NC5CCCCC5)N	VS8	n4-cyclohexyl-5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	VSA	1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
+CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6	VSB	7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4	VSC	n-[n'-benzyloxycarbonyl-phenylalaninyl]-3-amino-5-phenyl-pentane-1-sulfonic acid phenyl ester
+CCCCCCCCCCCCCCCC(=O)[C@H](CO)N	VSD	3-dehydrosphinganine
+CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6	VSE	7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCOCC5	VSF	5-(4-phenoxyphenyl)-7-(tetrahydro-2h-pyran-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CN1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	VSG	7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(C)n1c2c(c(n1)c3ccc(c(c3)OC)NC(=O)OC(C)(C)C)c(ncn2)N	VSH	tert-butyl {4-[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate
+[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cc(cc3)C#N	VSI	n-{n-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1h-indol-1-yl)acetamide
+Cc1cc(c(c(c1)C)CCNC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C	VSK	(2~{s})-2-azanyl-3-(1~{h}-indol-3-yl)-~{n}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
+C=CS(=O)(=O)O	VSO	vinylsulphonic acid
+CCS(=O)(=O)Nc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)C)N	VSP	n-(3-{[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide
+c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)CNc2ccc(cc2)\C=C/3\C(=O)NC(=O)S3	VSV	n-({3-[({4-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-d-glutamic acid
+CC[C@@](C)(C#Cc1cc2c(cn1)cnn2c3ccnc(n3)N)O	VSY	(3s)-1-[1-(2-aminopyrimidin-4-yl)-1h-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol
+c1ccc(cc1)c2nc(c3ccsc3n2)NC(P(=O)(O)O)P(=O)(O)O	VT0	{[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
+c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OCC(F)(F)F	VT1	(r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol
+c1cc(ccc1COc2ccc(cc2)C=Cc3ccc(nc3)C([C@](Cn4cnnn4)(c5ccc(cc5F)F)O)(F)F)C#N	VT2	(r)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1h-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile
+Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2	VT3	8-hydroxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
+CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C	VT4	2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1h)-one
+CC(=O)C1=C(C(=O)N([C@@H]1C2CCCCC2)c3ccc(cc3F)Cl)O	VT5	(2~{r})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{h}-pyrrol-5-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O	VT6	5'-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O	VT7	5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O	VT8	5'-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+Cc1cc(n[nH]1)c2cc(ccc2O[C@@H]3C[C@@H]3c4ccc(cc4F)F)C#N	VTA	4-{[(1r,2r)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1h-pyrazol-3-yl)benzonitrile
+C([C@H]1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O	VTB	7-o-phosphono-alpha-l-galacto-hept-2-ulopyranose
+Cc1cc(n[nH]1)c2cccc(c2)Cl	VTD	3-(3-chlorophenyl)-5-methyl-1h-pyrazole
+Cc1ccc(cc1)CO	VTG	(4-methylphenyl)methanol
+[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cccc3	VTI	n-{n-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1h-indol-1-yl)acetamide
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C	VTP	(2z,6z,10z,14z,18z,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate
+CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C	VTQ	rrr-alpha-tocopherylquinone
+CC1=C[C@H](OC1=O)O	VTY	(5s)-5-hydroxy-3-methylfuran-2(5h)-one
+c1cc(ccc1CN2CCCCC2)C(=O)O	VU1	4-[(piperidin-1-yl)methyl]benzoic acid
+c1ccc(cc1)[C@@H](CN)OCc2ccc(cc2)Cl	VU2	(2s)-2-[(4-chlorobenzyl)oxy]-2-phenylethanamine
+c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3	VU3	2-(2-(4-phenylpiperidin-1-yl)ethyl)-1h-indole
+c1cc(ccc1CCN)C(=O)O	VU4	4-(2-aminoethyl)benzoic acid
+Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)NOC	VU7	6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-n-methoxy-3-methylquinoline-4-carboxamide
+CC1CCN(CC1)c2ccnc(n2)NCCc3ccccc3	VUA	4-(4-methylpiperidin-1-yl)-n-(2-phenylethyl)pyrimidin-2-amine
+C[C@@H](C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4nc3N)F	VUD	6-{(1s)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1h-pyrazol-1-yl)pyridin-2(1h)-one
+Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cccnc4	VUG	1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine
+Cc1cccc(c1)[C@@H]2CC[C@@H](C=C2)N3CCN(CC3)CC4=CNC(=O)C=C4	VUJ	5-({4-[(1r,4s)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1h)-one
+c1cc(cc(c1)C(F)(F)F)C2(CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4)O	VUM	5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1h)-one
+CCn1c2cc(ncc2nc1c3c(non3)N)C	VUP	4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
+[H]/N=C(\CS)/NCCC[C@@H](C(=O)O)N	VUR	(s)-2-amino-5-(2-mercaptoacetimidamido)pentanoic acid
+[B-](CCC[C@]12CCN[C@H]1CN[C@@H]2C(=O)O)(O)(O)O	VUS	3-[(3~{a}~{s},4~{s},6~{a}~{r})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{h}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+[B-](CCC[C@@H]1CCN[C@@H]1C(=O)O)(O)(O)O	VUV	3-[(2~{s},3~{r})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+[B-](CCC[C@]12CS[C@H]1CN[C@@H]2C(=O)O)(O)(O)O	VUY	3-[(1~{s},2~{s},5~{r})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+[B-](CCC[C@]12CN[C@H]1CN[C@@H]2C(=O)O)(O)(O)O	VV1	3-[(1~{s},2~{s},5~{r})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+[B-](CCC[C@@H]1[C@@H]2CN[C@]1(CCN2)C(=O)O)(O)(O)O	VV4	3-[(1~{r},5~{s},8~{r})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+O[V](O[V](=O)[V](O)(O)O[V](O)(O)O[V](O)(O)O)O[V](O)(O)(O)O	VV6	[[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium
+c1c(cc(cc1C(=O)N[C@@](COCc2cn(nn2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)(COCc4cn(nn4)[C]5[C]([C]([C]([C](O5)[C][O])[O])[O])[O])OCc6cn(nn6)[C@H]7C(C(C([C@H](O7)CO)O)O)O)C(=O)NC(COCc8cn(nn8)[C@@H]9[C@H]([C@@H]([C@H]([C@@H](O9)CO)O)O)O)(COCc1cn(nn1)[C@H]1C(C([C@H]([C@H](O1)CO)O)O)O)COc1[c]n(nn1)[C]1[C]([C]([C]([C](O1)[C][O])[O])[O])[O])CO	VV7	dendron-d3
+CCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN	VVA	2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate
+CC(=O)Nc1ccc(c(c1)C(=O)O)F	VVD	5-(acetylamino)-2-fluorobenzoic acid
+CCS(=O)(=O)Nc1ccccc1F	VVG	n-(2-fluorophenyl)ethanesulfonamide
+CN(C1CCCCCC1)S(=O)(=O)C	VVJ	n-cycloheptyl-n-methylmethanesulfonamide
+c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N	VVM	4-amino-n-phenylbenzene-1-sulfonamide
+O=[V+2]	VVO	oxovanadium(2+)
+COc1cccc2c1cc[nH]2	VVP	4-methoxy-1h-indole
+Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl	VVQ	5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1h-pyrrole-3-carboxamide
+CC(C)(C)CC(C)(C)c1cc(c(c(c1)Cn2ccnc2)O)Cn3ccnc3	VVS	2,6-bis(1h-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
+c1ccc(cc1)c2c(cc(nn2)Cl)c3ccncc3	VVT	6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine
+CC1=CC(=O)Nc2c1c(c(cc2OC)OC)OC	VVV	5,6,8-trimethoxy-4-methylquinolin-2(1h)-one
+CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cccc6c5cc[nH]6	VVX	6-(1h-indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1h-indazole
+c1ccc(cc1)OCC(=O)N2CCCC2	VVY	2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
+C[C@@H](C(=O)N)Oc1ccc(cc1)C#N	VW1	(2s)-2-(4-cyanophenoxy)propanamide
+C[C@H](CS(=O)(=O)N)c1ccccc1	VW4	(2s)-2-phenylpropane-1-sulfonamide
+Cc1ccc(c2c1NCCC2)NC(=O)C	VW7	n-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide
+C[C@@H](c1ccc(cc1)F)NC	VWA	(1s)-1-(4-fluorophenyl)-n-methylethan-1-amine
+CS(=O)(=O)C[C@@H](c1ccccc1)O	VWD	(1r)-2-(methylsulfonyl)-1-phenylethan-1-ol
+c1ccc2c(c1)ccc(n2)C(=O)NO	VWG	n-hydroxyquinoline-2-carboxamide
+CC(C)Nc1[nH]c2ccccc2n1	VWJ	n-(propan-2-yl)-1h-benzimidazol-2-amine
+CC(=O)N1CCC[C@@](C1)(C(=O)O)O	VWM	(3r)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid
+Cn1c2ccccc2nc1CC3=NC(=CC(=O)N3)N4CCOCC4	VWN	2-[(1-methyl-1h-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3h)-one
+[H]/N=C(/N)\NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C=CCN1C(=O)Cc2cccc3c2cccc3	VWP	n~2~-{(2s)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1h-pyrrole-2-carbonyl}-l-lysyl-l-argininamide
+Cc1c(c2cc(ccc2o1)NS(=O)(=O)c3ccc(cc3)Cl)C(=O)O	VWS	5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid
+CCOC(=O)CN1CCS(=O)(=O)CC1	VWV	ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate
+c1ccc(cc1)CSC[C@@H](C(=O)N[C@H](c2ccccc2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N	VWW	l-gamma-glutamyl-s-benzyl-n-[(s)-carboxy(phenyl)methyl]-l-cysteinamide
+CCNC(=O)c1ccc(cc1)NS(=O)(=O)C	VWY	n-ethyl-4-[(methylsulfonyl)amino]benzamide
+CCO[P@](=O)(C)O	VX	o-ethylmethylphosphonic acid ester group
+c1cc(ccc1c2c3cc(ccc3no2)c4ccnc(n4)N)Cl	VX1	4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine
+c1cc(cc(c1)C(F)(F)F)c2nnc3n2nc(cc3)NC4CCCCC4	VX2	n-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
+c1ccc(cc1)c2c3cccc(c3[nH]c2c4ccccc4)C(=O)O	VX3	2,3-diphenyl-1h-indole-7-carboxylic acid
+C[C@H]1CCCN(CC1)C(=O)c2cscn2	VX4	[(4s)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone
+Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C	VX6	cyclopropanecarboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2h-pyrazol-3-ylamino)-pyrimidin-2-ylsulfanyl]-phenyl}-amide
+CC(C)(C)c1cc(c(cc1NC(=O)C2=CNc3ccccc3C2=O)O)C(C)(C)C	VX7	n-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
+Cc1ccc(nc1c2cccc(c2)C(=O)O)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F	VX8	lumacaftor
+C[P@H](=O)[O-]	VXA	methylphosphonic acid ester group
+Cc1c(cccc1Cl)NC(=O)CN	VXD	n-(3-chloro-2-methylphenyl)glycinamide
+CC(=O)N1C[C@H]([C@@H](C1)C(=O)O)c2ccccc2	VXG	(3s,4r)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid
+c1ccc(cc1)c2c3c(n[nH]2)CCN(C3)C(=O)Nc4ccc(c(c4)Cl)F	VXJ	n-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=O)NC)O)S(=O)(=O)c4ccc(cc4)OC	VXL	(3r,3as,4r,6ar)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O	VXM	4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]c4c3cccc4	VXO	5-[(2s)-2-[[2-(1h-indol-3-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid
+c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O	VXP	4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione
+c1cc2c(cc1CN)CCO2	VXQ	1-(2,3-dihydro-1-benzofuran-5-yl)methanamine
+CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)c4[nH]nnn4	VXR	(5z)-5-[(5-ethyl-2-furyl)methylene]-2-{[(s)-(4-fluorophenyl)(1h-tetrazol-5-yl)methyl]amino}-1,3-thiazol-4(5h)-one
+c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O	VXS	4-{[3-(2-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+c1cc(c2c(c1)OCCCO2)CN	VXU	3,4-dihydro-2h-1,5-benzodioxepin-6-ylmethanamine
+c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O	VXV	4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+COc1cc(ccc1O)C(=O)OC	VXX	methyl vanillate
+c1c(cnc(n1)N)c2c(c(nc(n2)N3CCOCC3)N[C@]4(CCN(C4)C(=O)OCC(F)F)CO)F	VXY	2,2-difluoroethyl (3s)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate
+CNS(=O)(=O)N1CC[C@@H](C1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5	VY1	(3s)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]-n-methylpyrrolidine-1-sulfonamide
+C[C@@]1(CCN(C1)C(=O)OC(C)(C)C)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5	VY4	tert-butyl (3s)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate
+c1ccc(c(c1)N2CCC(CC2)C(=O)O)OCC(=O)N3Cc4c(nc(nc4N)N)C3	VY7	1-{2-[2-(2,4-diamino-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid
+CC(C)C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N	VYA	2-[(4~{z})-2-[(1~{s})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+CC(C)CCNC(=O)[C@H]1C[C@H](CNC1)CN2CC(=O)N(CC2(C)C)c3ccccc3Cl	VYD	(3s,5r)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-n-(3-methylbutyl)piperidine-3-carboxamide
+CC(C)CCNC(=O)[C@H]1C[C@H](CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl	VYE	(3s,5r)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-n-(3-methylbutyl)piperidine-3-carboxamide
+CC(C)CC(CC(C)C)NC(=O)[C@H]1C[C@H](CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl	VYF	(3s,5r)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-n-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide
+CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)N3CCC(CC3)C(F)(F)F	VYG	6-ethyl-5-[3-({3-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl}oxy)propoxy]pyrimidine-2,4-diamine
+c1ccc(c(c1)Nc2cccc3c2CN(CCO3)S(=O)(=O)c4ccc(cc4)F)F	VYI	n-(2-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-6-amine
+CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C	VYJ	11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+c1cc2c(cc1N)N(CCC2)C(=O)C3CC3	VYM	(7-amino-3,4-dihydroquinolin-1(2h)-yl)(cyclopropyl)methanone
+c1cnc(nc1c2cnc(nc2)N)N3CCOCC3	VYP	2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine
+CCc1c(cccc1S(=O)(=O)N[C@@H](Cc2cc(on2)c3ccc(s3)Cl)C(=O)N4CCC(CC4)OC)N5CCOCC5=O	VYR	n-[(s)-1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide
+c1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N	VYV	4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide
+Cc1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N	VYY	4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
+Cc1cc(cc(c1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)C	VZ1	4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
+CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	VZ4	(9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate
+CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C	VZ5	(14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate
+CC(C)(COC(=O)O)c1cccc(c1)Cl	VZ7	2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate
+c1cc(ccc1NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)F	VZD	4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
+CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ccc(nn4)C(=O)N(C)C	VZG	6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-n-methylpyridazine-3-carboxamide
+CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncccn4	VZJ	6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-n-methylpyridazine-3-carboxamide
+COc1ccc(cn1)NC(=O)Nc2cccs2	VZM	n-(6-methoxypyridin-3-yl)-n'-thiophen-2-ylurea
+CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1	VZP	n-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-n-methyl-n'-propan-2-ylurea
+Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC	VZS	n-(2-methoxy-5-methylphenyl)-n'-4h-1,2,4-triazol-4-ylurea
+CC(C)C1=C(SC2=N[C@@]([C@H](N12)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(=O)N5CCC[C@H]5C(=O)N(C)C	VZV	1-{[(5r,6s)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-n,n-dimethyl-l-prolinamide
+Cc1cccc(c1)C(=O)NCC(=O)O	VZY	n-(3-methylbenzene-1-carbonyl)glycine
+C(CCCCCOC(=O)S)CCCCC(=O)O	VZZ	11-[(mercaptocarbonyl)oxy]undecanoic acid
+[W+6]	W	tungsten ion
+Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nnn(n3)C	W01	2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2n-methyl-2h-tetrazol-5-yl]-phenol
+Cc1cc(cc(c1OCCCc2cc(no2)C)C)n3nc(nn3)C	W02	2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[4-methyl-2h-tetrazol-2-yl]-phenol
+Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3coc(n3)C	W03	2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2-methyl-4-isoxazolyl]-phenol
+Cc1ccnc(c1)NC(=O)CNC	W04	n~2~-methyl-n-(4-methylpyridin-2-yl)glycinamide
+C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	W05	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-alanine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	W06	(2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid
+CC(C)(C)[C@H](COc1ccc(cc1)C(C)(C)c2ccc(cc2)OC[C@H](CO)O)O	W07	(2s)-3-{4-[2-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)propan-2-yl]phenoxy}propane-1,2-diol
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	W09	n-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-l-tryptophan
+CCCC(=O)NCc1[nH]c2ccccc2n1	W0A	n-[(1h-benzimidazol-2-yl)methyl]butanamide
+c1ccc2c(c1)[nH]c(n2)CNC(=O)c3ccco3	W0D	n-[(1h-benzimidazol-2-yl)methyl]furan-2-carboxamide
+CN[C@@H]1CCN(C1=O)c2ccccc2F	W0G	(3r)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one
+CCCCCCc1cc(c(cc1F)Oc2ccccc2)O	W0I	4-fluoro-5-hexyl-2-phenoxyphenol
+CN[C@@H]1CCCN(C1)c2cccnn2	W0J	(3r)-n-methyl-1-(pyridazin-3-yl)piperidin-3-amine
+C[C@H](C(=O)N)Oc1ccc(cc1)Cl	W0M	(2r)-2-(4-chlorophenoxy)propanamide
+C[C@H](C(=O)O)Oc1ccccc1F	W0P	(2r)-2-(2-fluorophenoxy)propanoic acid
+COc1cc(cc(c1OC)OC)CN	W0S	1-(3,4,5-trimethoxyphenyl)methanamine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	W0T	(2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid
+CC(C)C(=O)NCc1[nH]c2ccccc2n1	W0V	n-[(1h-benzimidazol-2-yl)methyl]-2-methylpropanamide
+CNC(=O)c1ccc(cc1)S(=O)(=O)N	W0Y	n-methyl-4-sulfamoylbenzamide
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	W10	(2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid
+Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nc(on3)C(F)(F)F	W11	3-{3,5-dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole
+CCCC(CCC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O	W12	(2s)-3-{4-[4-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol
+c1ccc(c(c1)SC2=C(C[C@H](CC2=O)c3c(ccc(c3Cl)NC4CCOCC4)Cl)O)Cl	W13	(5r)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2h-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one
+c1cc2c(cc1O)CN(CC2)C(=O)C(F)(F)F	W14	2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
+C(CCl)c1nnc(s1)N	W16	5-(2-chloroethyl)-1,3,4-thiadiazol-2-amine
+c1c(cn(n1)CCO)C(=O)N	W17	1-(2-hydroxyethyl)-1h-pyrazole-4-carboxamide
+c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	W19	4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-n-(2-hydroxyethyl)-8,9-dihydro-7h-pyrimido[4,5-b]azepine-6-carboxamide
+CS(=O)(=O)NCC1CCNCC1	W1A	n-[(piperidin-4-yl)methyl]methanesulfonamide
+CC(=O)c1ccc(cc1)OCC(=O)O	W1D	(4-acetylphenoxy)acetic acid
+C=CCc1ccc(c(c1)O)Oc2ccccc2	W1G	2-phenoxy-5-(2-propenyl)phenol
+CCCn1nc(nn1)NC(=O)c2ccco2	W1J	n-(2-propyl-2h-tetrazol-5-yl)furan-2-carboxamide
+Cn1ccc(n1)C(=O)Nc2cccc(c2)C(=O)O	W1M	3-[(1-methyl-1h-pyrazole-3-carbonyl)amino]benzoic acid
+CC1=NN(C(=O)C1)c2ccccc2	W1P	5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
+c1cn2c(n1)[C@H](CCC2)C(=O)N	W1S	(8s)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
+Cc1c(c(n(n1)C)C)CC(=O)N	W1V	2-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide
+CNCc1cnn(c1)c2ccccc2	W1Y	n-methyl-1-(1-phenyl-1h-pyrazol-4-yl)methanamine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	W1Z	(2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid
+C[C@@H](C(=O)O)NC(=O)C1CCCC1	W21	n-(cyclopentanecarbonyl)-l-alanine
+CN1Cc2ccccc2N[C@H](C1=O)CC(=O)O	W22	[(2s)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-2-yl]acetic acid
+c1cc2c(cc1O)CC[N@](C2)S(=O)(=O)C(F)(F)F	W23	2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
+C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)NC	W24	(2s,3s)-n,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide
+CC(=O)N1[C@@H]2CC[C@H]1c3cccnc3C2	W27	1-[(5s,8r)-6,7,8,9-tetrahydro-5h-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one
+CCc1ccsc1c2ccc(c(c2)O)O	W29	4-(3-ethylthiophen-2-yl)benzene-1,2-diol
+C[C@@H]1[C@@H](CCCN1S(=O)(=O)C)C#N	W2A	(2r,3r)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile
+[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C@@H]3C[C@H](CCN3)O	W2C	(2s,4s)-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-piperidine-2-carboxamide
+c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)S(=O)(=O)N)OCO2	W2D	2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide
+COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	W2E	methyl 4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzoate
+c1cscc1[C@H]2CCC[C@H]2C(=O)O	W2G	(1r,2s)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid
+C[C@@H]1C[C@H](CNC1)CO	W2J	[(3r,5r)-5-methylpiperidin-3-yl]methanol
+CN1CCN(CC1)c2ccc(cc2)C(=O)NC3=CC(=CNC3=O)c4ccncc4	W2K	4-(4-methylpiperazin-1-yl)-n-(2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin-3-yl)benzamide
+c1ccc2c(c1)C[C@]3(CCCN3)C(=O)N2	W2M	(2r)-1',4'-dihydro-2'h-spiro[pyrrolidine-2,3'-quinolin]-2'-one
+CN(C)CCCC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F	W2P	n-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide
+c1cc(cc(c1)Oc2ccc(cc2Cl)Nc3c4c(ccn4CCOCCO)ncn3)NC(=O)NC5CCCCC5	W2R	1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5h-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea
+Cc1ccccc1[C@@H]2COC[C@@H]2C(=O)O	W2S	(3r,4r)-4-(2-methylphenyl)oxolane-3-carboxylic acid
+COc1cccc(c1)[C@H]2CCOC[C@H]2C(=O)O	W2V	(3s,4s)-4-(3-methoxyphenyl)oxane-3-carboxylic acid
+C[C@H](CO)[C@H](C(=O)O)OC(=O)[C@H](C(=C)S)NC(=O)CCC[C@@H](C(=O)O)N	W2X	n~6~-[(1r)-1-({[(1r,2r)-1-carboxy-3-hydroxy-2-methylpropyl]oxy}carbonyl)-2-mercaptoprop-2-en-1-yl]-6-oxo-l-lysine
+C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)N	W2Y	(2s,3s)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide
+Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCOC	W30	6-(2-(5-((2-methoxyethyl)(methyl)amino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine
+C[C@@H](c1ccccc1)OC(=O)Cc2ccc(c(c2)SC3=C(C[C@@H](CC3=O)c4c(cccc4Cl)Cl)O)Cl	W31	(1s)-1-phenylethyl (4-chloro-3-{[(4s)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate
+CS(=O)(=O)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)NCC1	W32	4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-n-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7h-pyrimido[4,5-b]azepine-6-carboxamide
+Cc1cc(on1)CCCCCOc2ccc(cc2Cl)C3=NCCO3	W33	5-(5-(6-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
+COc1cccc(c1)[C@@H]2CCOC[C@@H]2N	W34	(3r,4s)-4-(3-methoxyphenyl)oxan-3-amine
+Cc1cc(on1)CCCCCOc2ccc(cc2)C3=NCCO3	W35	5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl isoxazole
+C[N@@](CCCCCCOc1ccc2c(c1)ccnc2c3ccc(cc3)Br)CC=C	W37	n-(6-{[1-(4-bromophenyl)isoquinolin-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine
+c1c(cn(n1)CC(=O)O)Br	W3A	(4-bromo-1h-pyrazol-1-yl)acetic acid
+C1=CN(C(=O)C=C1Br)CC(=O)O	W3D	(4-bromo-2-oxopyridin-1(2h)-yl)acetic acid
+C1=CC(=O)NN=C1	W3G	pyridazin-3(2h)-one
+C1CNC(=NC1)N	W3J	1,4,5,6-tetrahydropyrimidin-2-amine
+c1c([nH]cn1)C#N	W3M	1h-imidazole-5-carbonitrile
+c1cc2cccnc2nc1	W3P	1,8-naphthyridine
+c1ccn2c(c1)nnc2N	W3S	[1,2,4]triazolo[4,3-a]pyridin-3-amine
+C1CN(CCC1C(=O)O)C(=O)N	W3V	1-carbamoylpiperidine-4-carboxylic acid
+C[C@H]1C(=O)NC(=O)N1c2ccc(cc2)Cl	W3Y	(5s)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
+c1cc(nn2c1nnn2)Cl	W41	6-chlorotetrazolo[1,5-b]pyridazine
+c1c(cc(c(c1Cl)OCCCCCc2cc(no2)COCOCCO)Cl)C3=NCCO3	W42	5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole
+Cc1cc(on1)CCCCCCCOc2ccc(cc2Cl)C3=N[C@H](CO3)C	W43	5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+Cn1c2ccccc2c3c1[C@H]4C[C@@H](C3)NC[C@@H]4O	W44	(2s,5r,6r)-7-methyl-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol
+c1cn(c2c1cc(c(c2)Cl)Cl)CCCCCNC(=O)CS	W45	n-[5-(5,6-dichloro-1h-indol-1-yl)pentyl]-2-sulfanylacetamide
+Cc1cc([nH]n1)c2cc(ccc2O[C@H]3C[C@@]3(CN)c4ccc(cc4F)F)C(F)(F)F	W47	1-{(1s,2s)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1h-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine
+Cc1ccc(o1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)C(F)(F)F	W4A	5-methyl-~{n}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
+c1ccc(cc1)CN2C=Nc3ccc(cc3C2=O)c4c[nH]nc4	W4D	3-benzyl-6-(1h-pyrazol-4-yl)quinazolin-4(3h)-one
+c1ccc(cc1)CN2C=Nc3cc(ccc3C2=O)c4c[nH]nc4	W4G	3-benzyl-7-(1h-pyrazol-4-yl)quinazolin-4(3h)-one
+c1cc(c(cc1[C@@H](CCN)O)OCC2CCCCC2)F	W4J	(1r)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol
+CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)CN4CCOCC4)N(CO)O	W4M	(hydroxy{(1s)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1h-benzotriazol-1-yl]ethyl}amino)methanol
+c1ccc(cc1)C[C@@H](C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O	W4N	(1r,4r,5r)-1,4,5-trihydroxy-3-[(1s)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid
+CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O	W4P	n-hydroxy-n-[(1s)-2-{5-[(4-{[2-(hydroxymethyl)-1h-imidazol-1-yl]methyl}phenyl)ethynyl]-1h-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide
+Cn1ccc2c1ncnc2N	W4S	7-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1nc2nc3c(c(n2n1)N)CCC3	W4V	6,7-dihydro-5h-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine
+CC(C)OCCN1c2cc[nH]c2C(=O)NC1=S	W4Y	1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+c1nc(c(c(n1)N2CC3CCC2CC3)Cl)N	W51	6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine
+Cc1cc(on1)CCCCCOc2c(cc(cc2Cl)C3=NCCO3)Cl	W54	5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl isoxazole
+Cc1cc(on1)CCCCCOc2ccc(cc2)C3=N[C@H](CO3)C	W56	5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
+COc1cc(on1)Cn2cnc(c-3ncnc23)N	W57	3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3h-purin-6-amine
+CC[C@H]1COC(=N1)c2ccc(cc2)OCCCCCCCc3cc(no3)C	W59	5-(7-(5-hydro-4-ethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+Cc1nc(cs1)Cn2cnc(c-3ncnc23)N	W5A	3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3h-purin-6-amine
+c1c[nH]c2c1c(ncn2)N3CCCCCOCC3	W5D	4-(1,4-oxazonan-4-yl)-7h-pyrrolo[2,3-d]pyrimidine
+c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CC4	W5G	4-(5-azaspiro[2.5]octan-5-yl)-7h-pyrrolo[2,3-d]pyrimidine
+CN(CCC(=O)O)c1c2cc[nH]c2ncn1	W5J	n-methyl-n-7h-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine
+Cn1cnc2c1nc(nc2N)N	W5M	9-methyl-9h-purine-2,6-diamine
+c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)F	W5P	4-[(3r)-3-fluoropiperidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine
+Cc1c(n(c2c1c(ncn2)N)Cc3ccco3)C	W5S	7-[(furan-2-yl)methyl]-5,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O	W5V	2-(2,6-difluorophenyl)-5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	W5Y	5'-o-(l-phenylalanylsulfamoyl)adenosine
+c1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5	W61	1,3-thiazolidin-3-yl[(2s,4s)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone
+Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C	W64	4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC	W66	4-methyl-6-(2-(5-(3-(methylamino)propyl)pyridin-3-yl)ethyl)pyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C	W67	6-(2-(5-(3-(dimethylamino)propyl)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC	W68	6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C	W69	6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
+c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl	W6A	4-chloro-1h-indole-2-carboxylic acid
+c1cc(c2cc[nH]c2c1)C(=O)N	W6D	1h-indole-4-carboxamide
+c1ccc(cc1)S(=O)(=O)Nc2nncs2	W6G	n-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
+c1ccnc(c1)N2CCCNCC2	W6J	1-(pyridin-2-yl)-1,4-diazepane
+Cc1nc(on1)CNC(=O)c2cccc(c2)C(=O)O	W6M	3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid
+c1ccc2c(c1)CC(=O)N2	W6P	1,3-dihydro-2h-indol-2-one
+Cc1ccc(c(c1)CNC(=O)[C@@H]([C@H](C)N)O)C	W6Q	(2~{r},3~{s})-3-azanyl-~{n}-[(2,5-dimethylphenyl)methyl]-2-oxidanyl-butanamide
+c1c[nH]nc1C2CCNCC2	W6S	4-(1h-pyrazol-3-yl)piperidine
+c1ccc(cc1)C(=O)Nc2nccs2	W6V	n-(1,3-thiazol-2-yl)benzamide
+CC(=O)C(F)(F)F	W6X	1,1,1-tris(fluoranyl)propan-2-one
+c1cc2cc(ccc2c(c1)C(=O)O)CCC3=C(NC(=O)NC3=O)C(=O)O	W6Y	5-[2-(5-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CC(C(F)(F)F)(O)O	W6Z	1,1,1-tris(fluoranyl)propane-2,2-diol
+c1ccc(cc1)Oc2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O	W70	2,6-dioxo-5-[2-(4-phenoxyphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
+Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=NCCO3	W71	5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+C1[C@H]([C@@H]([C@H]([N@@]1C[C@@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)CO)O)O	W72	6-deoxy-6-[(2r,3r,4r)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-l-gulonic acid
+c1ccc2c(c1)cc(c3c2cccc3)CCC4=C(NC(=O)NC4=O)C(=O)O	W73	2,6-dioxo-5-[2-(phenanthren-9-yl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
+c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)OC(F)(F)F	W74	2,6-dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1cc(cc(c1)OC)CCC2=C(NC(=O)NC2=O)C(=O)O	W75	5-[2-(3,5-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O	W76	5-[2-(3-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(cnc1)NC(=O)c2ccc(cc2Cl)Cl	W77	2,4-dichloro-n-(pyridin-3-yl)benzamide
+Cc1cc(nc(c1)N)CCc2cc(cnc2)c3cccc(c3)CNC	W79	4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine
+c1ccc(cc1)c2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O	W7A	2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
+c1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O	W7B	5-[2-(naphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
+COc1cccc2c1ccc(c2)CCC3=C(NC(=O)NC3=O)C(=O)O	W7C	5-[2-(5-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1cccc2c1cc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O	W7D	5-[2-(8-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(cc3)CC(C(=O)O)C(=O)O	W7E	2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid
+COc1ccc2cccc(c2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	W7F	5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1ccccc1CCC2=C(NC(=O)NC2=O)C(=O)O	W7G	5-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	W7H	5-[2-(naphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O	W7I	5-[2-(3-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc2cc(ccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)O	W7J	5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1ccc2cc(c(cc2c1)OC)CCC3=C(NC(=O)NC3=O)C(=O)O	W7K	5-[2-(3,6-dimethoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O	W7L	5-[2-(6-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COC(=O)c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	W7M	5-{2-[6-(methoxycarbonyl)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc2cc(ccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)NCCO	W7N	5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(cc(c1)C(=O)O)CCC2=C(NC(=O)NC2=O)C(=O)O	W7O	5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(=O)O	W7P	5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CC(C)(C)OC(=O)N1CCc2c1ccc(c2)CCC3=C(NC(=O)NC3=O)C(=O)O	W7Q	5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1h-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc(cc1)CNC(=O)c2cnccn2	W7S	n-benzylpyrazine-2-carboxamide
+CN(c1c[nH]nc1)C(=O)C23CCC[C@@H]2C3	W7V	(1r,5r)-n-methyl-n-(1h-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
+c1c[nH]c2c1c(ncn2)N3CCC[C@@H]3C4CCC4	W7Y	4-[(2r)-2-cyclobutylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)c3ccc(cc3)CNC	W80	4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine
+CCO[C@@H]1C=CC=C([C@H]1[NH3+])C(=O)[O-]	W81	(5r,6r)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)c3cccc(c3)CNC	W82	6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine
+COCOc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	W83	5-{2-[7-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=N[C@H](CO3)C	W84	5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+COC(=O)c1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O	W85	5-{2-[3-(methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COC(=O)c1ccc(cc1)CCCCC2=C(NC(=O)NC2=O)C(=O)O	W86	5-{4-[4-(methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COC(=O)c1cccc2c1ccc(c2)CCCCC3=C(NC(=O)NC3=O)C(=O)O	W87	5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc2cc(ccc2cc1CCCCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)O	W88	5-[4-(6-carboxynaphthalen-2-yl)butyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@@H](C(=O)N1CCNC1=O)SCC(=O)O	W8A	{[(2s)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid
+c1nc-2c(ncn(c2n1)C[C@H]3CCCO3)N	W8D	3-{[(2r)-oxolan-2-yl]methyl}-3h-purin-6-amine
+c1c[nH]c2c1c(nc(n2)N)N3CCSCC3	W8G	4-thiomorpholino-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+c1nc-2c(ncn(c2n1)CCC[C@H]3CCOC3)N	W8J	3-{3-[(3s)-oxolan-3-yl]propyl}-3h-purin-6-amine
+Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl	W8L	3-(4-chlorophenyl)-5-methylisoquinolin-1(2h)-one
+COCC(=O)Oc1c(cccc1c2[nH]c(c(n2)c3ccccc3Cl)c4ccccc4Cl)CC=C	W8M	2-[4,5-bis(2-chlorophenyl)-1h-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate
+CS[C@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O	W8P	n-hydroxy-n-[(1r)-2-{5-[(4-{[2-(hydroxymethyl)-1h-imidazol-1-yl]methyl}phenyl)ethynyl]-1h-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide
+Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=N[C@@H](CO3)C	W8R	5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+Cn1c(cc(n1)c2cccc(c2)OC)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O	W8S	(1,3-dihydro-2h-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1h-pyrazol-5-yl]amino}phenyl)methanone
+Cc1ccccc1c2cc(n(n2)C)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O	W8V	(1,3-dihydro-2h-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1h-pyrazol-5-yl]amino}phenyl)methanone
+c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)Br	W8X	{2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
+Cn1c(cc(n1)c2ccccc2)Nc3cc(cc(c3C(=O)N4Cc5cccnc5C4)O)O	W8Y	(5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1h-pyrazol-5-yl)amino]phenyl}methanone
+COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O	W8Z	5-{2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1cc(on1)CCCOc2c(cc(cc2Cl)C3=NCCO3)Cl	W91	5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole
+c1ccc(cc1)n2c(cc(n2)C(F)(F)F)C3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5	W94	[(2s,4s)-4-{4-[1-phenyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]piperidin-1-yl}pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone
+CCC(CC)n1c2c(ncc(n2)C#C)nc1O	W97	6-ethynyl-1-(pentan-3-yl)-1h-imidazo[4,5-b]pyrazin-2-ol
+C[C@@H]1C[C@@H](CN(C1)C(=O)c2csc(n2)Nc3ccc4c(c3)OCO4)C	W99	[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3r,5s)-3,5-dimethylpiperidin-1-yl]methanone
+CCCC(CCC)COc1cc(ccc1F)[C@@H](CCN)O	W9A	(1r)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol
+CC1(c2cc(ccc2C(=O)O1)Nc3ncc(c(n3)N[C@H](CO)c4ccccc4)c5nnco5)C	W9D	5-{[4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3h)-one
+COCCCCCCCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O	W9G	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol
+CSCC[C@@H](C(=O)O)NC(=O)N	W9J	n-carbamoyl-l-methionine
+CCNC(=O)Nc1cccc2c1cccc2	W9L	1-ethyl-3-naphthalen-1-ylurea
+CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl	W9M	3-(3,4-dichlorophenyl)-1,1-dimethyl-urea
+c1cc(c(cc1n2cnnn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O	W9P	(1~{s},2~{s},3~{r},4~{s},5~{s})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N	W9S	(1s,2s,3r,4s,5s)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O	W9T	4-o-beta-d-galactopyranosyl-beta-d-fructofuranose
+c1cc(c(cc1n2nccn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O	W9V	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-{[(5z)-6-{[2-nitro-4-(2h-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol
+c1cc(c(cc1n2ccnn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O	W9Y	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1h-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol
+C[C@@H](c1ccc2c(c1)cccn2)c3nnc4n3nc(cc4)c5cnn(c5)C	W9Z	6-{(1s)-1-[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline
+c1ccc(cc1)NC(=O)Nc2cnns2	WA1	1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea
+C[C@H](CCNc1c2c(nc[nH]2)ncn1)CO	WA2	(2r)-2-methyl-4-(7h-purin-6-ylamino)butan-1-ol
+c1c(nnn1C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)Cn4cc(nn4)CSC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)S[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)CSC[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)S[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O	WA3	(2s,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(1-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({4-[({[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-2-yl]methyl}sulfanyl)methyl]-1h-1,2,3-triazol-1-yl}methyl)tetrahydro-2h-pyran-2-yl]oxy}tetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-3,4,5-triol
+[H]/N=C/1\c2cccnc2N(C(=O)C1C(=O)NCc3ccc(cc3F)F)O	WA5	4-azanylidene-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
+c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O	WA7	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1,2,3,4-tetrol
+CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C	WAA	(2s)-2-[[(1r,4ar,4br,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1h-indol-3-yl)propanoic acid
+CC(C)S(=O)(=O)NCCCn1c2ccccc2c3c1[C@@H]4CCCC[N@]4CC3=O	WAC	n-{3-[(12bs)-7-oxo-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-12(2h)-yl]propyl}propane-2-sulfonamide
+CCCCCCCC[C@H](CCCCCCCCC(=O)O)O	WAD	(10r)-10-hydroxyoctadecanoic acid
+Cc1ccc(cc1Cl)Nc2nccc(n2)c3ccnc(c3)N4CCN(CC4)CCN	WAI	4-{2-[4-(2-aminoethyl)piperazin-1-yl]pyridin-4-yl}-n-(3-chloro-4-methylphenyl)pyrimidin-2-amine
+C[n+]1c2ccccc2c(cc1/C=C/c3ccc(c(c3)OC)O)C(=O)N	WAM	2-[(~{e})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinoline-4-carboxamide
+CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(sc3OCC)S(=O)(=O)N	WAN	5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1h-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCCCCC(=O)O)O)O)N	WAQ	pimeloyl-amp
+c1cc(c(cc1NNN)[N+](=O)[O-])NCCOC(=O)NCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O	WAS	2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1s,2s,3r,4s,5s)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate
+c1cc(c(cc1NNN)[N+](=O)[O-])NCCOCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O	WAV	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-{[2-(2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethoxy)ethyl]amino}cyclohexane-1,2,3,4-tetrol
+Cc1cccc(c1N(Cc2cccnc2)S(=O)(=O)c3ccc(cc3)OC)C(=O)NO	WAY	n-hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-benzamide
+Cc1ccc2c(c1)[nH]cc2C(=O)O	WB1	6-methyl-1h-indole-3-carboxylic acid
+CSc1ccccc1C(=O)NCCCC[C@@H](c2[nH]c(cn2)c3ccc4ccccc4c3)NC(=O)c5cncs5	WB4	n-{(1s)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide
+CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc3c(s2)C4(CCN(CC4)Cc5ccccc5Cl)OCC3	WB7	1-[(2-chlorophenyl)methyl]-n-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide
+c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H](CCCCNC(=O)c4c(cccc4F)O)NC(=O)c5cncs5	WBA	n-{(1s)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide
+c1cc2c(cc1Cl)nc([nH]2)Cl	WBD	2,5-dichloro-1h-benzimidazole
+COc1ccc(cc1)C2=C(Nc3c(c(nn3C2=O)c4ccccc4)C5=CCCCC5)Nc6ccccn6	WBG	3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one
+c1cc(ccc1C(=O)NC2=CC(=CNC2=O)c3ccncc3)N4CCCCC4	WBI	n-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C)/C(=O)O)O	WBJ	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid
+c1ccc(cc1)c2c(nn3c2NC(=CC3=O)Nc4cc[nH]n4)c5ccccc5	WBM	2,3-diphenyl-5-[(1h-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one
+c1ccc(c(c1)c2cccc(c2O)O)O	WBP	3-(2-hydroxyphenyl)benzene-1,2-diol
+c1ccc(cc1)c2c(nn3c2NC(=C(C3=O)c4ccc(cc4)O)Nc5cc[nH]n5)c6ccccc6	WBS	6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1h-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one
+c1cc(cc2c1ccn2CCc3ccncc3)NC(=O)c4cc(cc(c4)F)N5CCOCC5	WBT	3-fluoro-5-morpholin-4-yl-n-[1-(2-pyridin-4-ylethyl)-1h-indol-6-yl]benzamide
+C1=C(C(=O)NC(=O)N1)N	WBU	5-amino-1h-pyrimidine-2,4-dione
+Cc1c(n(c2c1c(c(c(n2)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)Cc4cnn(c4)C)C	WBV	(2s)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1h-pyrazol-4-yl)methyl]-1h-pyrrolo[2,3-b]pyridin-5-yl}acetic acid
+Cc1nc2c(s1)C(=O)N(C(=O)N2)O	WBY	6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4h,6h)-dione
+C[C@H](c1c(c2cc(ccc2[nH]1)c3ccccc3)CC(P(=O)(O)O)P(=O)(O)O)C(C)C	WC1	(2-{2-[(2s)-3-methylbutan-2-yl]-5-phenyl-1h-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid)
+COc1cc2ccccc2cc1C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	WC4	(1s)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-o-phosphono-d-ribitol
+c1csc2c1C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	WC7	6-[2-deoxy-5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-erythro-pentofuranosyl]thieno[2,3-c]pyridine-7(6h)-thione
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(cc4)O)O	WCA	p-coumaroyl-coa
+[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45	WCC	fe(3)-ni(1)-s(4) cluster
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS[C@@H]1C[C@H]2CC(=O)N2[C@@H]1C(=O)O)O	WCD	(2r,3r,5r)-3-{[2-({n-[(2r)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+c1cc(cc(c1)Cl)C(=O)N	WCE	3-chloro-benzamide
+COc1cc2ccccc2cc1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	WCG	(1s)-1,4-anhydro-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-d-ribitol
+C[C@@H](C(=O)O)N(C)C(=O)[C@H](Cc1ccc(cc1)c2ccccc2)N	WCM	(2s)-2-amino-3-(biphenyl-4-yl)-n-methyl-n-[(2s)-1-oxopropan-2-yl]propanamide (non-preferred name)
+O=[W]1234O[Co]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8	WCO	co-substituted alpha-keggin
+c1cc2c(nc1CNC34CCC(CC3)(OC4)C[C@@]5(CN6c7c5c(cnc7C=CC6=O)F)O)NC(=O)CO2	WCP	(4r)-3-fluoro-4-hydroxy-4-{[(1r,4r)-4-{[(3-oxo-3,4-dihydro-2h-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}-2-oxabicyclo[2.2.2]oct-1-yl]methyl}-4,5-dihydro-7h-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one
+c1cc(ccc1/C=C\2/C(=O)N([C@](N2)(CN)O)CC(=O)O)O	WCR	[(2r,4z)-2-(aminomethyl)-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid
+CN(C)CCCOc1ccc(cc1)c2cc(nc(n2)S(=O)(=O)C)NCCCn3cccn3	WCS	6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-n-[3-(1h-pyrazol-1-yl)propyl]pyrimidin-4-amine
+c1ccc(c(c1)N)Nc2ccc3c(c2)OCO3	WCU	~{n}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
+C#CCNc1nccc(n1)Nc2ccc3c(c2)N(CCC3)C(=O)C4CC4	WCV	cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2h)-yl]methanone
+C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)n3cnc4c3ccc(c4)OC5CCN(CC5)C	WCX	4-{5-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-2-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide
+C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=S)Nc2ccc(cc2)NC(=O)c3cscn3	WCY	n-{4-[({(1s)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}carbamothioyl)amino]phenyl}-1,3-thiazole-4-carboxamide
+C1C[C@@H](C[C@H](C1)F)CNCC(O)O	WD1	2-({[(1s,3s)-3-fluorocyclohexyl]methyl}amino)ethane-1,1-diol
+CN1c2c(n(cn2)CCNC(=O)NS(=O)(=O)C)C(=S)N(C1=O)C	WD7	n-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7h-purin-7-yl)ethyl]carbamoyl}methanesulfonamide
+CN1c2c(n(cn2)Cc3ccc(cc3)CC4C(=O)NC(=O)NC4=O)C(=O)N(C1=O)C	WDA	5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1h,3h,5h)-trione
+CN1c2c([nH]c(n2)NCCN3CCOCC3)C(=O)N(C1=O)C	WDD	1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1h-purine-2,6-dione
+CN1c2c([nH]c(n2)SCCN3CCC(CC3)C(=O)O)C(=O)N(C1=O)C	WDG	1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid
+CN1c2c([nH]c(n2)SCCN3CCS(=O)(=O)CC3)C(=O)N(C1=O)C	WDJ	8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+c1(nc(nc(n1)O)O)O	WDL	1,3,5-triazine-2,4,6-triol
+CN1c2c([nH]c(n2)SCC(=O)N3CCOCC3)C(=S)N(C1=O)C	WDM	1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2h-purin-2-one
+C[C@@H]1C[C@@H](O[C@H](CN1C)C)O[C@H]2[C@@H]([C@H]([C@H](C[C@](C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]2C)[C@@H](C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)C)OC(=O)CC(C)C)C)(C)OC(=O)NC(C)(C)CNS(=O)(=O)c4ccccc4)C)O[C@H]5[C@@H](C(=NOC)C[C@H](O5)C)O)C	WDP	sequanamycin 9
+Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C(=O)N3)C)OCCO	WDR	(4s)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1h)-one
+CCCCCN1C(=O)c2ccc(cc2N=C1SCc3ccccn3)C(=O)N4CCCC4	WDS	3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3h)-one
+c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)O)[N+](=O)[O-]	WDT	2-nitro-5-(phenylsulfonyl)phenol
+c1cc(ccc1CNC(=O)c2c(c([nH]n2)[N+](=O)[O-])Cl)Cl	WDU	4-chloro-n-(4-chlorobenzyl)-5-nitro-1h-pyrazole-3-carboxamide
+c1cc(cc(c1)N2CCN(CC2)Cc3cc(ccc3O)[N+](=O)[O-])C(F)(F)F	WDV	4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol
+Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC=CC3	WDW	3,6-dihydropyridin-1(2h)-yl(5-methyl-1h-indol-2-yl)methanone
+Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)CCO	WDX	[4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1h-indol-2-yl)methanone
+c1cc(cc(c1)NC(=O)c2cccc3c2[nH]nc3)c4cc[nH]n4	WDY	n-[3-(1h-pyrazol-3-yl)phenyl]-1h-indazole-7-carboxamide
+CC(C)[C@@H](C(=O)N1[C@@H](C2(CCC1CC2)O)C(=O)N[C@@H](CC(=O)O)CO)NC(=O)c3ccc4ccccc4c3	WE0	(3~{s})-3-[[(3~{s})-2-[(2~{s})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid
+CC[C@](C)(CNC(=O)Nc1ccc(cc1)C(=O)Nc2nccs2)N3CCOCC3	WE1	4-({[(2r)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-n-(1,3-thiazol-2-yl)benzamide
+c1(c(c(c(c(c1Br)Br)C(=O)O)Br)Br)C(=O)O	WE4	2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid
+Cc1ccccc1c2nc-3c(ncn(c3n2)Cc4c(cccc4Cl)Cl)N	WE7	3-[(2,6-dichlorophenyl)methyl]-8-(2-methylphenyl)-3h-purin-6-amine
+Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)O	WEF	n-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-l-tyrosine
+c1ccc(cc1)c2cc3cc(cnc3[nH]2)c4c[nH]nc4	WEG	2-phenyl-5-(1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
+Cc1c([nH]nc1C(=O)Nc2cc3cc([nH]c3nc2)c4ccccc4)C	WEJ	4,5-dimethyl-n-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazole-3-carboxamide
+CN1C=C2c3cc(c(cc3N(Cc4c2c([nH]c4)C1=O)c5c(cc(cn5)F)F)C(=O)OC)CS(=O)(=O)C	WEM	methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2h-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNC(=O)c4cc5c(cc4CS(=O)(=O)C)C6=CN(C(=O)c7c6c(c[nH]7)CN5c8c(cc(cn8)F)F)C)O	WEP	n-[11-({7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2h-2,4,7-triazadibenzo[cd,f]azulene-9-carbonyl}amino)undecanoyl]-3-methyl-l-valyl-(4r)-4-hydroxy-n-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-l-prolinamide
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC	WES	(2s)-3-{[(s)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9e,9'e)di-octadec-9-enoate
+C[C@@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C	WEV	(5r)-2,4-dideoxy-1-c-{(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4e,6e,9r,10s,11r,12e,14z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-d-threo-pentopyranose
+C(COCCOCC(=O)NCCOCCOCC(=O)O)N	WF1	17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid
+Cc1ccc2c(c1)nc(c(n2)OCc3ccccc3/C(=C\OC)/C(=O)OC)C(F)(F)F	WF3	methyl (2e)-3-methoxy-2-[2-({[6-methyl-3-(trifluoromethyl)quinoxalin-2-yl]oxy}methyl)phenyl]prop-2-enoate
+Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O	WF4	4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
+Cc1cc(n[nH]1)Nc2cc(nc(n2)/C=C/c3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C	WF7	n-{4-[(e)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide
+CC(C)NC1=CC(=O)N(N=C1c2nc[nH]n2)c3ccccc3	WF8	5-isopropylamino-2-phenyl-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone
+CCc1c(c(nc(n1)N)N)OCCCNc2ccccc2N3CCC(CC3)C(=O)O	WFA	1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid
+Cc1cc([nH]n1)Nc2cc(nc(n2)c3ccc(cc3)C4CCN(CC4)C(=O)C=C)N5CCN(CC5)C	WFD	1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1h-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one
+CCc1c[nH]c2c1c(ncn2)N3CC[C@@](C3)(CNC(=O)c4ccc(cc4F)F)N	WFE	n-{[(3s)-3-amino-1-(5-ethyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide
+c1cc2c(cc1C3=C(C(=O)OC3)c4ccc(cc4F)F)NC(=O)CO2	WFF	6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2h-1,4-benzoxazin-3(4h)-one
+C[C@H]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4	WFG	6-[(2s)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2h-1,4-benzoxazin-3(4h)-one
+CCc1c(c(nc(n1)N)N)OCC2CN(C2)c3ccccc3N4CCC(CC4)C(=O)O	WFJ	1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid
+c1cc(cc2c1cc(c(n2)N)Br)O[C@H]3CC[C@]4([C@@H]3O[C@H]([C@@H]4O)n5ccc6c5ncnc6N)O	WFM	(2r,3r,3as,6s,6ar)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3ah-cyclopenta[b]furan-3,3a-diol
+c1c(cc(cc1F)F)C[C@@H](C(=O)O)N	WFP	3,5-difluoro-l-phenylalanine
+Cc1c2ccn(c2ncn1)[C@H]3[C@@H]([C@]4(CC[C@@H]([C@H]4O3)Oc5ccc6cc(c(nc6c5)N)Br)O)O	WFS	(2r,3r,3as,6s,6ar)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3ah-cyclopenta[b]furan-3,3a-diol
+c1c(cc(c2c1nc(c(c2)F)N)F)C[C@@H]3CC[C@]4([C@@H]3C[C@H]([C@@H]4O)n5cc(c6c5ncnc6N)F)O	WFV	(1s,2r,3ar,4s,6ar)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1h)-diol
+Cc1cn(c2c1c(cc(n2)C(=O)N)Cl)[C@@H](C)[C@@]3(CCNC3)F	WFY	4-chloro-1-{(1s)-1-[(3s)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1h-pyrrolo[2,3-b]pyridine-6-carboxamide
+C[C@]1(CCC[C@H]1N2c3c(cnc(n3)NC4CCN(CC4)S(=O)(=O)C)C=C(C2=O)C(F)F)O	WG1	6-(difluoromethyl)-8-[(1r,2r)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1cc(nc2n1ccn2)N3CC[C@@]4(C3)CCN(C4)Cc5cnc(s5)NC(=O)C	WG4	n-(5-{[(5s)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide
+c1c(c2c([nH]1)C(=O)NC=N2)CNCCCP(=O)(O)O	WG7	(3-{[(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid
+c1cc2ccc(nc2c(c1)O)C3=N[C@H](CS3)C(=O)O	WG8	(4s)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+CC1(CN(C[C@H]1O)c2c(cccn2)F)C	WGA	(3s)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
+Cc1nc(cs1)CN2C[C@H](C[C@H]2CN)F	WGD	1-{(2s,4s)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine
+COc1cccc(c1)CNC(=O)C2=Nc3ccccc3C(=O)N2	WGG	n-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide
+CC1(CN(C[C@@H]1O)c2c(cccn2)F)C	WGM	(3s)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
+CN(C)C(=O)CNc1ccccc1	WGP	n,n-dimethyl-n~2~-phenylglycinamide
+c1cc(c(nc1)NCC2CCOCC2)F	WGS	3-fluoro-n-[(oxan-4-yl)methyl]pyridin-2-amine
+CCOC(=O)c1c(csc1N)c2cccs2	WGT	ethyl 5'-amino[2,3'-bithiophene]-4'-carboxylate
+c1ccc(cc1)C#CCN2CCCCC2	WGV	1-(3-phenylprop-2-yn-1-yl)piperidine
+CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCCCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5	WGX	~{n}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
+CCC(=O)Nc1ccc(cc1)S(=O)(=O)N	WGY	n-(4-sulfamoylphenyl)propanamide
+C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	WGZ	5-{6-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-3-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide
+CN(CCc1ccccn1)C(=O)c2ccccc2	WH1	n-methyl-n-[2-(pyridin-2-yl)ethyl]benzamide
+CC(C)Nc1cccnc1	WH4	n-(propan-2-yl)pyridin-3-amine
+c1ccc2c(c1)cccc2C[C@H](CC(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O	WH6	2-[(1r)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid
+C[C@@H](CNCc1c(cccc1Cl)Cl)O	WH7	(2r)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
+c1cc2c3c(c1)c(c(cc3COC2)Cl)c4nc(nc(n4)SCCCC(=O)N)N	WHA	4-{[4-amino-6-(5-chloro-1h,3h-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide
+c1cc(ccc1CNCc2ccc(cc2)F)C#N	WHD	4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile
+c1cc(sc1)C(=O)CCc2nnc(s2)N	WHF	3-(5-amino-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylpropan-1-one
+c1conc1CN2CCNCC2	WHG	1-[(1,2-oxazol-3-yl)methyl]piperazine
+COc1cccc(c1)CNC(=O)C2=Nc3ccc(c(c3C(=O)N2)OCCc4ccc(cc4)C(=O)O)F	WHH	4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid
+C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c3c2C=CC(=O)N3)O)O	WHJ	carmoterol
+c1cc(cc(c1)F)CN2CCCS2(=O)=O	WHM	2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione
+C[C@H](c1ccccc1Cl)NS(=O)(=O)C	WHP	n-[(1r)-1-(2-chlorophenyl)ethyl]methanesulfonamide
+Cc1csc(n1)NC[C@H]2CCCO2	WHS	4-methyl-n-{[(2r)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine
+c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)N)Cl)F)Oc3cc(cc(c3)Cl)C#N)Br	WHU	2-azanyl-n-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1h-imidazole-5-carboxamide
+Cc1c(sc(n1)C)[C@@H](C)NC	WHV	(1s)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-n-methylethan-1-amine
+CC/C=C\C[C@@H]1[C@H](C=CC1=O)CCCCCCCC(=O)O	WHW	9s,13r-12-oxophytodienoic acid
+CN(C)Cc1ccc(cc1)C#N	WHY	4-[(dimethylamino)methyl]benzonitrile
+COc1cccc(c1)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N	WI2	1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid
+c1ccc(c(c1)Nc2ncnc(n2)n3cccc3)Cl	WI4	n-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
+Cc1c(c2cccc3c2n1[C@@H](CO3)CN4CCOCC4)C(=O)c5cccc6c5cccc6	WI5	{(3r)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CS)O)O)O	WIA	methyl 6-thio-beta-d-galactopyranoside
+CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O	WIN	methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-15-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
+c1ccc(cc1)C[C@@H](C(=O)O)Cl	WJ1	(s)-2-chloro-3-phenylpropanoic acid
+c1ccc(cc1)C[C@H](C(=O)O)Cl	WJ2	(2r)-2-chloro-3-phenylpropanoic acid
+C1COCCN1Cc2c(snn2)Cl	WJ4	4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine
+CN(C)C(=O)c1ccc(cc1Br)F	WJ7	2-bromo-4-fluoro-n,n-dimethylbenzamide
+Cc1cc(no1)CS(=O)(=O)NC	WJA	n-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
+COCC(=O)Nc1ccccc1	WJD	2-methoxy-n-phenylacetamide
+COc1ccc(cc1)[C@@H](c2ccccc2)N	WJG	(s)-1-(4-methoxyphenyl)-1-phenylmethanamine
+C[C@@H](Cc1ccc(cc1)Br)C(=O)N	WJJ	(2r)-3-(4-bromophenyl)-2-methylpropanamide
+c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)N	WJM	2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
+C[C@H](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC	WJP	methyl (3r,6z,10e,14e)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate
+[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[C@H](CO[PH](=O)(O)OC[C@@H](C(=O)O)[NH3])O	WJS	(2~{s})-2-$l^{4}-azanyl-3-[[(2~{r})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid
+Cc1c(sc(n1)NC(=O)NCCOCCC(C)(C)C)C#Cc2ccncc2	WJV	n-[2-(3,3-dimethylbutoxy)ethyl]-n'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea
+C[C@@H](C(=O)NCC(=O)O)S	WJZ	tiopronin
+C/C=C(\C)/[C@H]1C=C[C@H]2C[C@H](C[C@H]([C@@H]2[C@H]1/C(=C\3/C(=O)[C@@H](NC3=O)C[C@@](C)(C(=O)O)O)/O)C)C	WK1	(2s)-3-[(2s,4e)-4-[[(1r,2s,4ar,6s,8r,8as)-2-[(e)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid
+CN(C)C(=O)OCCn1ccnc1	WK4	2-(1h-imidazol-1-yl)ethyl dimethylcarbamate
+c1cc(c(cc1C#N)F)N2CCNCC2	WK7	3-fluoro-4-(piperazin-1-yl)benzonitrile
+CC(=O)Nc1cccc2c1non2	WKA	n-(2,1,3-benzoxadiazol-4-yl)acetamide
+C[C@H](C(=O)N)Oc1ccc(cc1)C#N	WKD	(2r)-2-(4-cyanophenoxy)propanamide
+CC(=O)N1CCCC2(C1)CCCCCC2	WKG	1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one
+c1cc(ccc1CN2CC[C@H](C2)O)Cl	WKJ	(3r)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol
+CC(C)[C@@H](C(=O)N1CCOCC1)N	WKM	(2s)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one
+COc1ccc(cc1)C(=O)C2CCNCC2	WKP	(4-methoxyphenyl)(piperidin-4-yl)methanone
+Cc1cc(nc(n1)C)N2CCNCC2	WKS	2,4-dimethyl-6-(piperazin-1-yl)pyrimidine
+CC(=O)NCc1cc(ccc1OC)Br	WKV	n-[(5-bromo-2-methoxyphenyl)methyl]acetamide
+Cc1cnccc1NC(=O)C	WKY	n-(3-methylpyridin-4-yl)acetamide
+COC(=O)c1ccc(cc1)S	WL1	methyl 4-sulfanylbenzoate
+c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)O	WL3	2-(4-fluorophenyl)carbonylbenzoic acid
+CC(C)C(=O)Nc1cccc(c1)C#N	WL4	n-(3-cyanophenyl)-2-methylpropanamide
+CN(CCO)S(=O)(=O)c1ccc(cc1)N	WL7	4-amino-n-(2-hydroxyethyl)-n-methylbenzene-1-sulfonamide
+C1COCCC1CN2CCNCC2	WLA	1-[(oxan-4-yl)methyl]piperazine
+C[C@@H](CNCc1c(cccc1Cl)Cl)O	WLD	(2s)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
+C1CC2(CC2)CN(C1)C(=O)COC(F)F	WLG	1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one
+CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2	WLH	2-(4-methylpiperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one
+c1cc(c(c(c1)F)C(=O)N2CCCCCC2)F	WLJ	(azepan-1-yl)(2,6-difluorophenyl)methanone
+COc1cccc(c1)CNC(=O)C2=Nc3c(ccs3)C(=O)N2	WLL	n-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide
+CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3OC)Cl	WLM	5-chloro-2-methoxy-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide
+c1ccc(c(c1)S)Cl	WLP	2-chlorobenzene-1-thiol
+c1cc(sc1)CNCc2ccncc2	WLS	1-(pyridin-4-yl)-n-[(thiophen-2-yl)methyl]methanamine
+C[C@H](C[C@@H](C(=O)O)NC)CO	WLU	(4r)-5-hydroxy-n-methyl-l-leucine
+c1ccc(cc1)OCC(=O)Nc2cccc(c2)F	WLV	n-(3-fluorophenyl)-2-phenoxyacetamide
+Cc1ccc(cc1)CC(=O)NC[C@@H]2CCCO2	WLY	2-(4-methylphenyl)-n-{[(2s)-oxolan-2-yl]methyl}acetamide
+c1ccnc(c1)C(=O)N	WM1	pyridine-2-carboxamide
+C1CCC(CC1)C(=O)N	WM2	cyclohexanecarboxamide
+c1ccc(cc1)S(=O)(=O)NN	WM3	benzenesulfonohydrazide
+c1ccc(cc1)C(=O)NN	WM4	benzohydrazide
+c1ccc(cc1)CN[C@H]2CCNC2	WM7	(3s)-n-benzylpyrrolidin-3-amine
+C[C@@]1(N=C(CCO1)N)c2cccc(c2)c3cccc(c3)Cl	WM9	(2s)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine
+CC[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3	WMA	(3s,6s)-3-ethyl-6-[(1h-indol-3-yl)methyl]piperazine-2,5-dione
+C[C@H](c1ccccc1F)N2CCNCC2	WMD	1-[(1r)-1-(2-fluorophenyl)ethyl]piperazine
+C[C@@H](c1ccccc1F)N2CCNCC2	WMG	1-[(1s)-1-(2-fluorophenyl)ethyl]piperazine
+Cn1ccnn1	WMH	1-methyl-1h-1,2,3-triazole
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-])O	WMJ	1-[[(2r,3s,5s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea
+c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3	WMM	n-phenyl-4-[(4h-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-thiazol-2-amine
+[B-]12(c3cc(ccc3CO1)[C@@H](c4ccccc4)O)O[C@H]5[C@@H](O[C@H]([C@@H]5O2)n6cnc7c6ncnc7N)COP(=O)(O)O	WMP	[(1r,5r,6r,8s)-6-(6-aminopurin-9-yl)-3'-[(r)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
+CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C	WMR	5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine
+Cc1ncc(s1)CNc2cc(cnc2)F	WMS	5-fluoro-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
+Cc1c(c(on1)C)C(=O)NCCC2CCCCC2	WMV	n-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
+c1cc(cc(c1)Cl)C(=O)Nc2ccon2	WMY	3-chloro-n-(1,2-oxazol-3-yl)benzamide
+COc1cccc(c1)C(=O)Nc2ccccc2F	WN1	n-(2-fluorophenyl)-3-methoxybenzamide
+Cc1cccc(n1)NC(=O)[C@@H]2CCCN2	WN4	n-(6-methylpyridin-2-yl)-l-prolinamide
+C[C@H](N)P(=O)(C[C@@H](CCc1ccccc1)C(=O)O)O	WN6	(2s)-2-{[(s)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
+Cc1cc(cnc1)NCc2ccncc2	WN7	5-methyl-n-[(pyridin-4-yl)methyl]pyridin-3-amine
+Cc1ccccc1CNc2nnnn2C	WNA	1-methyl-n-[(2-methylphenyl)methyl]-1h-tetrazol-5-amine
+CC(C)(CNC1CCOCC1)O	WND	2-methyl-1-[(oxan-4-yl)amino]propan-2-ol
+c1ccc(cc1)/C=C\Nc2[nH]c3ccccc3n2	WNG	n-[(z)-2-phenylethenyl]-1h-benzimidazol-2-amine
+O=[W]1234O[Ni]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8	WNI	ni-substituted alpha-keggin
+c1ccnc(c1)NC[C@@H]2CCNC2	WNJ	n-{[(3r)-pyrrolidin-3-yl]methyl}pyridin-2-amine
+c1ccc(cc1)S(=O)(=O)N2CC[C@@H](C2)N	WNM	(3s)-1-(phenylsulfonyl)pyrrolidin-3-amine
+c1ccc2c(c1)C(=O)NC(=N2)C(=O)NCc3cccc(c3)OCCSc4nc[nH]n4	WNN	4-oxo-n-{3-[2-(1h-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide
+c1cc(cc(c1)Cl)NC(=O)C(F)(F)F	WNP	n-(3-chlorophenyl)-2,2,2-trifluoroacetamide
+CCCC(=O)Nc1cccnc1Cl	WNS	n-(2-chloropyridin-3-yl)butanamide
+Cc1cccc(c1C)C(=O)N(C)C	WNV	n,n,2,3-tetramethylbenzamide
+CC(=O)N1CCN(CC1)c2ccc(cc2)Cl	WNY	1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one
+CN1CCC[C@H](C1)OC(=O)c2ccco2	WO1	(3r)-1-methylpiperidin-3-yl furan-2-carboxylate
+[O][W]1234O[W]567(O[W]89%10(O5[P]5%11O%12[W]%13%14(O6)(O[W]6%15(O1)(O[W]1%16%17(O6[P]6%18O2[W]2(O8)(O3)(O[W]38%19(O6[W](O3)(O1)(O[W]136(O5[W](O8)(O1)(O9)(O[W]15(O%10)(O%118[W](O7)(O%13)(O1)(O[W]8(O3)(O5)(O[W]%12(O%16)(O%14)(O6)[O])[O])[O])[O])[O])[O])(O[W]13(O%17)(O%185[W](O4)(O%15)(O1)(O[W]5(O2)(O%19)(O3)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	WO2	octadecatungstenyl diphosphate
+O=[W]=1=2(=O=[W]=3(=O1=[W](=O2)(=O3)(=O)(=O)=O)(=O)(=O)=O)(=O)=O	WO3	tri-tungsten(vi) oxide complex
+[O-][W](=O)(=O)[O-]	WO4	tungstate(vi)ion
+O[W](O)(O)(O)O	WO5	tungstate(vi) ion
+[O-][W](=O)([O-])[O-]	WO6	trioxido(oxo)tungsten
+CC(=O)N1CCCNCC1	WO7	1-(1,4-diazepan-1-yl)ethan-1-one
+CN[C@H]1CCCN(C1=O)c2ccccc2	WOA	(3s)-3-(methylamino)-1-phenylpiperidin-2-one
+CC(C)(CC(=O)O)C(=O)O	WOC	2,2-dimethylbutanedioic acid
+C1CNC[C@@H]1c2nc(no2)C3CC3	WOD	3-cyclopropyl-5-[(3r)-pyrrolidin-3-yl]-1,2,4-oxadiazole
+COc1ccccc1c2cc(nc(n2)N)Cl	WOE	4-chloro-6-(2-methoxyphenyl)pyrimidin-2-amine
+CCCC/C(=C/COP(=O)(O)O)/C	WOG	(2e)-3-methylhept-2-en-1-yl dihydrogen phosphate
+C[C@H]1CN(CC[C@H]1N)S(=O)(=O)C	WOJ	(3s,4r)-3-methyl-1-(methylsulfonyl)piperidin-4-amine
+c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N	WOM	picloram
+C([C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O	WOO	beta-l-allopyranose
+CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)N[C@@H](c3ccccc3)C(=O)NCc4ccccc4	WOP	5-[[methyl-[[(1s)-2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]carbamoyl]amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCOCC3	WOS	4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine
+c1ccc(cc1)[NH3+]	WOT	phenylazanium
+Cc1ccc(n1c2ccc(cc2C(=O)O)O)C	WOV	2-(2,5-dimethyl-1h-pyrrol-1-yl)-5-hydroxybenzoic acid
+Cc1ccccc1CN(c2ccc(c(c2)Cl)C#N)[C@H]3CC[N@@](C3)S(=O)(=O)C	WOW	2-chloro-4-{(2-methylbenzyl)[(3s)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile
+c1c2c(ncn1)NCC2	WOY	6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidine
+CC1(Cc2cccc(c2O1)C(=O)N)C	WP1	2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
+c1ccc(cc1)CN[C@@H]2CCNC2	WP4	(3r)-n-benzylpyrrolidin-3-amine
+CC1=Nc2ccc(cc2[C@@H](N1CC(=O)OC)c3ccccc3)Br	WP5	methyl [(4s)-6-bromo-2-methyl-4-phenylquinazolin-3(4h)-yl]acetate
+CC1=Nc2ccc(cc2[C@@H](N1Cc3ccccc3)c4ccccc4)Cl	WP6	(4s)-3-benzyl-6-chloro-2-methyl-4-phenyl-3,4-dihydroquinazoline
+CC1=Nc2ccc(cc2[C@@H](N1CCN3CCN(CC3)C(=O)c4ccco4)c5ccccc5)Cl	WP7	(4s)-6-chloro-3-{2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethyl}-2-methyl-4-phenyl-3,4-dihydroquinazoline
+CO[C@H](c1ccccc1)[C@@H](C(=O)O)N	WPA	(betar)-beta-methoxy-l-phenylalanine
+c1ccc2c(c1)c3nc-4[n+]5c(nc6c7ccccc7c8n6[Fe]59n3c2nc-1[n+]9c(n8)-c2c1cccc2)-c1c4cccc1	WPC	[29h,31h-phthalocyaninato(2-)-kappa~4~n~29~,n~30~,n~31~,n~32~]iron
+CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)C[C@H](C(F)F)C(=O)O	WPD	(2s)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
+CC1=Nc2ccc(cc2[C@@H](N1CCNC(=O)c3ccco3)c4ccccc4)Cl	WPE	n-{2-[(4s)-6-chloro-2-methyl-4-phenylquinazolin-3(4h)-yl]ethyl}furan-2-carboxamide
+Cc1ccc(cc1)[C@H]2c3cc(ccc3N=C(N2CCCN(C)C)C)Cl	WPF	3-[(4s)-6-chloro-2-methyl-4-(4-methylphenyl)quinazolin-3(4h)-yl]-n,n-dimethylpropan-1-amine
+c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N	WPG	(3-{(3r,4r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-[(2r)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropy l)phosphonic acid
+CN(C)CCOc1ccc(cc1)c2cc3c(ncnc3o2)NCCc4ccc(cc4)NC(=O)Nc5ccccc5	WPH	1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea
+COc1cc(cc(c1OC)OC)C=CCCCN2CCCN(CC2)CCC/C=C/c3cc(c(c(c3)OC)OC)OC	WPI	1,4-bis[(4e)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane
+CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)C[C@@H](C(F)F)C(=O)O	WPJ	(2r)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
+C[C@H]1C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O	WPL	(1~{s},3~{s},4~{r},5~{r})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
+Cc1cc2cn[nH]c2c(c1)S(=O)(=O)N(C)CC(=O)NC3=CC(=O)N(C=C3)C	WPM	n~2~-methyl-n~2~-[(5-methyl-1h-indazol-7-yl)sulfonyl]-n-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O	WPP	piperacillin
+Cc1c(c([nH]n1)N)C#N	WPS	5-amino-3-methyl-1h-pyrazole-4-carbonitrile
+c1c(cncc1Br)CN	WPV	1-(5-bromopyridin-3-yl)methanamine
+CC(=O)Nc1nccs1	WPY	n-(1,3-thiazol-2-yl)acetamide
+Cc1ccncc1CO	WQ1	(4-methylpyridin-3-yl)methanol
+Cc1nc(c(o1)N)C#N	WQ4	5-amino-2-methyl-1,3-oxazole-4-carbonitrile
+C1=CC(=O)N(C=C1)CCN	WQ7	1-(2-aminoethyl)pyridin-2(1h)-one
+c1c2c[nH]nc2ncc1N	WQA	2h-pyrazolo[3,4-b]pyridin-5-amine
+C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)NC=O	WQD	udp-4-deoxy-4-formamido-beta-l-arabinopyranose
+c1ccc2c(c1)C(=O)NC=N2	WQG	quinazolin-4(3h)-one
+c1c(cnc2c1COCC2)N	WQJ	7,8-dihydro-5h-pyrano[4,3-b]pyridin-3-amine
+CNC(=O)C1C=CC(=O)N=C1	WQM	(3s)-n-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide
+CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)OP(=O)(O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	WQP	5-(acetylamino)-3,5-dideoxy-2-o-phosphono-d-erythro-l-manno-nononic acid
+Cc1c(c(on1)C)C2=C(N(C(=O)C(=C2)C(=O)NCc3ccc(cc3)S(=O)(=O)C)c4cccc(c4)Cl)C	WQQ	1-(3-chlorophenyl)-5-(3,5-dimethylisoxazol-4-yl)-6-methyl-n-[4-(methylsulfonyl)benzyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
+c1cc2c(cc1F)[C@@H](C(=O)N2)CC(=O)O	WQS	2-[(3s)-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid
+CC(=O)NC1=CC(=CNC1=O)Br	WQV	n-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide
+c1ccc2c(c1)cc(cn2)CN	WQY	1-(quinolin-3-yl)methanamine
+C[C@H](C(=O)CCO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2	WR1	nalpha-[(benzyloxy)carbonyl]-n-[(1r)-4-hydroxy-1-methyl-2-oxobutyl]-l-phenylalaninamide
+CC(C)C[C@H]([C@H](CNC(=O)c1nccs1)C(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C	WR2	(2r,3r)-n^1^-[(1s)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-n^4^-hydroxy-2-(2-methylpropyl)-3-{[(1,3-thiazol-2-ylcarbonyl)amino]methyl}butanediamide
+Cc1ncc(n1CCOC(=O)N[C@H](C(Cl)(Cl)Cl)Nc2ncccn2)[N+](=O)[O-]	WR7	2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl [(1r)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate
+CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C	WRA	6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine
+CC1(N=C(N=C(N1OCCCOc2ccc(cc2)Br)N)N)C	WRB	1-[3-(4-bromo-phenoxy)-propoxy]-6,6-dimethyl-1.6-dihydro-[1,3,5]triazine-2,4-diamine
+c1cc2c(c(c1)O)CCC[C@H]2N	WRD	(5r)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol
+[H]/N=C(\NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O)NC(=O)C)/NC(=O)NC	WRG	(2s)-2-[[(2s)-2-acetamido-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid
+c1ccc2c(c1)C=C(CO2)C(=O)N	WRJ	2h-1-benzopyran-3-carboxamide
+CNC(=O)Cn1cnc2c1cccc2	WRM	2-(1h-benzimidazol-1-yl)-n-methylacetamide
+c1cc(cc(c1)C(F)(F)F)CCC2=C(NC(=O)NC2=O)C(=O)O	WRO	2,6-dioxo-5-{2-[3-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@H](C(C)(C)n1cc(c2c1cccc2)[C@H]([C@@H](C(=O)O)N)O)O	WRP	(betar)-beta-hydroxy-1-[(3r)-3-hydroxy-2-methylbutan-2-yl]-l-tryptophan
+C[C@@H](C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O)O	WRR	4-hydroxy-3-[(1s,3r)-3-hydroxy-1-phenylbutyl]-2h-chromen-2-one
+C[C@H](C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O)O	WRS	4-hydroxy-3-[(1s,3s)-3-hydroxy-1-phenylbutyl]-2h-chromen-2-one
+Cc1ccc(cc1F)NC(=O)N[C@@H](C)CO	WRV	n-(3-fluoro-4-methylphenyl)-n'-[(2s)-1-hydroxypropan-2-yl]urea
+Cc1c(cc2ccc(cc2n1)F)C(=O)NC	WRY	7-fluoro-n,2-dimethylquinoline-3-carboxamide
+c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O	WS1	6-(1-beta-d-glucopyranosyloxymethyl)-n-(5'-deoxyluridine-5'-yl)picolinamide
+c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@H]4[C@H]([C@H]([C@H]([C@H](O4)CO)O)O)O	WS2	6-(1-beta-d-galactopyranosyloxymethyl)-n-(5'-deoxyluridine-5'-yl)picolinamide
+c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O	WS3	5'-deoxy-5'-[({6-[(alpha-d-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine
+Cn1cc(cn1)C(=O)Nc2ccc(cc2)O	WS4	n-(4-hydroxyphenyl)-1-methyl-1h-pyrazole-4-carboxamide
+CC12CCCC(=O)C1=NC3=C(N2)N=C(NC3=O)N	WS6	(9as)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3h,7h)-dione
+CC12CCCCC1=NC3=C(N2)N=C(NC3=O)N	WS7	(9as)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3h)-one
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N	WSA	5'-o-[(l-tryptophylamino)sulfonyl]adenosine
+CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N	WSD	6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3h)-one
+CCn1cc(cn1)NC(=O)c2ccc(cc2)F	WSG	n-(1-ethyl-1h-pyrazol-4-yl)-4-fluorobenzamide
+Cc1nnc2n1-c3ccccc3C(=N[C@H]2NC(=O)OCc4ccccc4)c5ccccc5	WSH	benzyl [(4r)-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate
+CC1=C(C(=O)N(N1C)c2ccccc2)NS(=O)(=O)C	WSJ	n-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)methanesulfonamide
+CN(C)C[C@@H](Cn1c2ccc(cc2c3c1ccc(c3)Br)Br)O	WSK	(2s)-1-(3,6-dibromo-9h-carbazol-9-yl)-3-(dimethylamino)propan-2-ol
+c1ccc2c(c1)N(C(=O)CO2)CCCN	WSM	4-(3-aminopropyl)-2h-1,4-benzoxazin-3(4h)-one
+O=[Mo]12(=O)(=O)O[Mo]34(=O)(=O)[O+]1[Mo]567(=O)[O+]2[Mo]89(=O)(=O)[O+2]51[Mo]2(=O)(=O)(O8)O[Mo]5(=O)(=O)(=O)[O+]2[Mo]11(=O)([O+2]36[Mo](=O)(=O)([O+]51)(O4)O7)O9	WSQ	octamolybdate
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	WSS	tri(methyl)-[2-[[(2~{r})-2-[(~{z})-octadec-9-enoyl]oxy-3-[(~{e})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium
+c1cc(c2c(c1)O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O	WST	(3as,4r,9br)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-9-ol
+Cc1nc(n(n1)CCC(=O)O)C	WSY	3-(3,5-dimethyl-1h-1,2,4-triazol-1-yl)propanoic acid
+C(C[C@@H](C(=O)O)N)CNC(=N)C=O	WT2	(s)-2-amino-5-(2-oxoacetimidamido)pentanoic acid
+CSC[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N	WT4	n-[(5s)-5-amino-5-carboxypentanoyl]-l-homocysteyl-s-methyl-d-cysteine
+CCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	WT7	5'-o-[(s)-butoxy(hydroxy)phosphoryl]adenosine
+CCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	WTA	5'-o-[(s)-ethoxy(hydroxy)phosphoryl]adenosine
+c1ccc(cc1)CC2=Nc3c(cnn3C4CCCC4)C(=O)N2	WTC	6-benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O	WTD	2-(2,6-difluorophenyl)-5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide
+CCS(=O)(=O)c1ccccc1C(=O)N2CCN(C[C@@H]2C)c3nc4ccc(cc4s3)F	WTF	[2-(ethylsulfonyl)phenyl][(2s)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone
+COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3F)O	WTG	2-(2-fluorophenyl)-5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide
+c1cc(ccc1c2cc(cnc2N)c3c4c(cs3)OCCO4)C(=O)N	WTI	4-[2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridin-3-yl]benzamide
+CN(C)CCNC(=O)c1cc(cnc1N)c2c3c(cs2)OCCO3	WTJ	2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-n-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
+COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3F)O	WTM	2-(2-fluorophenyl)-5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC[C@H]4CCCO4)Cl	WTP	5-chloro-n~2~-[4-(4-methylpiperazin-1-yl)phenyl]-n~4~-{[(2r)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine
+C[C@H]([C@](C)(C(=O)O)O)O	WTZ	(2r,3r)-2,3-dihydroxy-2-methylbutanoic acid
+Cc1c(c(on1)C)c2ccn3c(c2)nc(c3NC4CCCCC4)CCc5ccc(c(c5)Cl)OC	WU1	2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{n}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine
+C[C@H]1CCC[C@]23N1C[C@@]4(Cc5c6cccc(c6[nH]c5C([C@H]4C2)(C)C)CC=C(C)C)NC3=O	WU4	(6ar,7as,11s,13as)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5h,13h-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one
+CCCCCCCCCCCCC/C=C/[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCCCC)O	WU7	(4s,7s,17z)-4-hydroxy-7-[(1s,2e)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium
+CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](/C=C/CCCCCCCCCCCCC)O	WUA	(4r,7s)-4-hydroxy-7-[(1s,2e)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium
+c1ccc2c(c1)N[C@H]3[C@@H](CC=CC3=N2)C(=O)O	WUB	(1r,10as)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid
+Cc1c([nH]c(n1)C)CN	WUG	1-(2,4-dimethyl-1h-imidazol-5-yl)methanamine
+c1cc(oc1)CNC(=O)N	WUJ	n-[(furan-2-yl)methyl]urea
+c1cc2c(cc1Br)c3c(o2)C(=O)NC(=N3)CN4CC[C@@H](C4)O	WUL	8-bromanyl-2-[[(3s)-3-oxidanylpyrrolidin-1-yl]methyl]-3h-[1]benzofuro[3,2-d]pyrimidin-4-one
+CN(C)Cc1csc(n1)N	WUM	4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
+c1cc(ccc1CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O)CO)Cl	WUN	2-amino-4-o-(4-chlorobenzyl)-2-deoxy-alpha-d-glucopyranose
+c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4)C=C9)c1ccccc1	WUP	5,15-diphenylporphyrin containing fe
+Cc1[nH]c2c(n1)C[C@@H](CC2)N	WUS	(5r)-2-methyl-4,5,6,7-tetrahydro-1h-benzimidazol-5-amine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CS)O	WUV	5'-thiothymidine
+c1ccc(cc1)NC(=O)NCCN	WUY	n-(2-aminoethyl)-n'-phenylurea
+C[C@H](c1ccc(cc1)NC(=O)C2CC2)N	WV1	n-{4-[(1r)-1-aminoethyl]phenyl}cyclopropanecarboxamide
+CCNc1ccc(cc1F)S(=O)(=O)C	WV4	n-ethyl-2-fluoro-4-(methylsulfonyl)aniline
+c1cc2c(cc1O)CCN(C2)C(=O)C(F)(F)F	WV7	2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
+c1cc2c(cc1CN)nc(n2CCCC(F)(F)F)CN3c4cc(ccc4C5(C3=O)CC5)F	WVA	1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1h-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'h)-one
+Cc1c(scn1)C(=O)N2CCNC(=O)C2	WVD	4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6F)F	WVH	4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide
+Cc1c(c([nH]n1)N)c2cccs2	WVI	3-methyl-4-(thiophen-2-yl)-1h-pyrazol-5-amine
+C[C@H](C=C(C)C)[C@@H](C(=O)O)N	WVL	(2s,3r)-2-amino-3,5-dimethylhex-4-enoic acid
+C#CC1=C2C=CC3=[N]2[Fe]45n6c1ccc6C(=C7[N]4=C(C=C7)C(=C8N5C(=C3c9ccccc9)C=C8)C#C)c1ccccc1	WVP	5,15-bisethynyl-10,20-diphenylporphyrin containing fe
+c1ccc(c(c1)c2cccc(c2)C(=O)O)F	WVV	3-(2-fluorophenyl)benzoic acid
+C[P@](=O)(OC1CCCCC1)F	WW2	cyclohexyl (s)-methylphosphonofluoridoate
+c1cc(ccc1/N=N/N2CCCCCC2)S(=O)(=O)N	WW3	4-[(e)-azepan-1-yldiazenyl]benzenesulfonamide
+c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN	WW7	n-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide
+C[N@@](CCCN(C)C)[C@H]1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5)Cl)c6ccccc6	WW8	n-[(3s)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-1h-indol-2-yl}carbonyl)pyrrolidin-3-yl]-n,n',n'-trimethylpropane-1,3-diamine
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CC(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O	WWF	c2-1-hydroxy-3-methyl-butyl-thiamin
+c1ccc(cc1)S(=O)(=O)c2ccc(s2)S(=O)(=O)N	WWL	5-(phenylsulfonyl)thiophene-2-sulfonamide
+c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	WWO	3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N	WWV	4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
+c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	WWX	2,3,6-trifluoro-5-{[(1r,2s)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)F	WWZ	4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide
+[H]/N=C(\N)/NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CO)Cl)NS(=O)(=O)Cc3ccccc3	WX5	(2s)-1-[(2r)-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]-n-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
+[B-]1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)(O)O	WXM	2-[(3~{r},6~{s})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid
+c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1	WXP	5,10,15-triphenylporphyrin cpntaining fe
+CNC(=O)c1c2ccc3cnc(nc3c2n(n1)C)NC4CCN(CC4)S(=O)(=O)C	WXV	n,1-dimethyl-8-{[1-(methylsulfonyl)piperidin-4-yl]amino}-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl	WY1	2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid
+c1c(nc2n1c3c(s2)CCC3)[C@H]4C(=CN=C(CS4)C(=O)O)C(=O)O	WY2	(6,7-dihydro-5h-cyclopenta[d]imidazo[2,1-b]thiazol-2-yl]-4,7-dihydro[1,4]thiazepine-3,6-dicarboxylic acid
+c1cc2c(cc1O)OC(=O)C=C2CN3CCOCC3	WY3	7-hydroxy-4-(morpholinomethyl)chromen-2-one
+c1c(nc2n1CCOC2)[C@H]3C(=CN=C(CS3)C(=O)O)C=O	WY4	7-(5,6-dihydro-8h-imidazo[2,1-c][1,4]oxazin-2-yl)-6-formyl-2,7-dihydro- [1,4]thiazepine-3-carboxylic acid
+Cc1cc2c(cc1c3cc4c(cc3O)OC(=O)C(=C4)C(=O)O)C(CCC2(C)C)(C)C	WY5	7-oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid
+CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)C#CCN)O)O)NC(=O)C	WYD	~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-4-[[1-[[3-(3-azanylprop-1-ynyl)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide
+Cn1cc(c2c1nccc2N3CCN(CC3)C)/C=C\4/C(=O)c5c(cc(cc5O4)O)O	WYE	(2z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2h)-one
+COc1ccc2c(c1)c(c3n2CCNC3)/C=C\4/C(=O)c5c(cc(cc5O4)O)O	WYF	(2z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2h)-one
+C#CC1=C2C=CC3=C(C4=[N]5C(=Cc6ccc7n6[Fe]5(N23)[N]8=C1C=CC8=C7c9ccccc9)C=C4)c1ccccc1	WYP	5-ethynyl-10,20-diphenylporphyrin containing fe
+CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)NC(=O)OC(C)C	WYQ	propan-2-yl {[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1h-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}carbamate
+CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	WYV	myristoyl coenzyme a
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	WZ1	methyl 3-s-alpha-d-mannopyranosyl-3-thio-alpha-d-mannopyranoside
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)S[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	WZ2	methyl alpha-d-mannopyranosyl-(1->3)-[alpha-d-mannopyranosyl-(1->6)]-3-thio-alpha-d-mannopyranoside
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@H]3O)OC)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CS[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)CO)O)O)CO)O)O	WZ4	methyl 2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1->2)-alpha-d-mannopyranosyl-(1->3)-[alpha-d-mannopyranosyl-(1->6)-6-thio  -alpha-d-mannopyranosyl-(1->6)]-beta-d-mannopyranoside
+CCOCCOc1cc2c(cc1n3c4ccc(cc4nc3C(F)(F)F)C(=O)O)C(CCC2(C)C)(C)C	WZ6	1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
+c1cnc(cc1C(=O)N)NC2CC=CC2	WZ7	2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)OS(=O)(=O)N)OC	WZA	(9beta,14beta,17beta)-17-hydroxy-2-methoxyestra-1,3,5(10)-trien-3-yl sulfamate
+CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OS(=O)(=O)N)C	WZB	(9beta,13alpha,14beta,17alpha)-2-ethylestra-1(10),2,4-triene-3,17-diyl disulfamate
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)O)OC	WZC	(13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate
+c1ccc2c(c1)[nH]c(n2)NCc3ccco3	WZD	n-[(furan-2-yl)methyl]-1h-benzimidazol-2-amine
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC)O	WZG	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(methylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name)
+CC[C@@H](C)[C@@H](C(=O)O)NC	WZJ	n-methyl-l-alloisoleucine
+CN(c1ccc(nn1)C(=O)N)C2CCC2	WZM	6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@@](=O)(OP(=O)(O)O)S)O)OC	WZO	[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate
+CC(C)C(=O)N1CCN(CC1)C(C)C	WZP	2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
+CC(=O)N1CCC(CC1)NCCc2ccccc2	WZS	1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one
+c1ccc(cc1)COP(=O)(O)O	WZT	(phenylmethyl) dihydrogen phosphate
+C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F	WZV	5-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((s)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide
+COc1ccc(cc1)NC(=O)CN	WZY	n-(4-methoxyphenyl)glycinamide
+COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)[n+]6cn(c7c6C(=O)NC(=N7)N)[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O)O	X	2'-deoxy-n7-(8,9-dihydro-9-hydroxy-10-dehydroxy-aflatoxin)guanosine monophosphate
+C[Si](C)(c1cc(cc(c1)SC)C(=O)N2CCC(CC2)c3cccc(c3)CN)O[Si](C)(C)c4cc(cc(c4)SC)C(=O)N5CCC(CC5)c6cccc(c6)CN	X00	{(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
+c1cc(c(cc1C#N)c2ncnc(n2)N)O	X01	3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile
+C=CCNc1nc(c(s1)C(=O)c2ccccc2)N	X02	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone
+CCC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1	X03	(5r)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide
+Cc1c(c(c(c(n1)N)COP(=O)(O)O)C=O)O	X04	(2-amino-4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+C1C[N@@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)N	X05	amino-castanospermine
+c1cc(c(cc1Cl)c2nc(nc(n2)N)N)O	X06	4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol
+c1cc(cnc1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]	X07	5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+C1C[N@]2[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)CN	X09	amino-australine
+c1ccc(cc1)Nc2nc(nc(n2)N)c3cc(ccc3O)Cl	X0A	2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
+c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5nc(c(s5)CCCOc6ccc(cc6)CN)C(=O)O	X0B	5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid
+CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCC(C)C)C(=O)O	X0D	(r)-2-(3-(3-((2,4-difluoropenyl)ethynyl)benzoyl)-3-propylureido)-3-(isobutylthio) propanoic acid
+C1CC1c2nc(on2)CN3CCOCC3	X0G	4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
+CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5cccc(c5)c6ccccc6	X0J	4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-n-{[4-({(1r)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide
+CC(=O)N[C@H]1Cc2ccccc2NC1	X0M	n-[(3s)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide
+CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3ccccc3cc2C(=O)NCc4ccc(cc4)OC	X0P	2-methoxy-6-[[[3-[(4-methoxyphenyl)methylcarbamoyl]naphthalen-2-yl]methyl-methyl-amino]methyl]benzoic acid
+c1cc(cc(c1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N)C#N	X0Q	5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
+CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCc3ccc(cc3)Br)C(=O)O	X0R	(r)-3-(4-bromobenzylthio)-2-(3-(3-((2,4-difluorophenyl)ethynyl)benzoyl)-3-propylureido)propanoic acid
+CNS(=O)(=O)c1ccccc1Cl	X0S	2-chloro-n-methylbenzene-1-sulfonamide
+CN1c2c(n(cn2)C[C@@H](CO)O)C(=O)N(C1=O)C	X0T	7-[(2s)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+c1c2c(cc3c1OCCO3)sc(n2)N	X0U	6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
+c1cc(c(cc1C(F)(F)F)N)N	X0V	4-(trifluoromethyl)benzene-1,2-diamine
+Cc1nc2cc(c(cc2s1)OC)OC	X0W	5,6-dimethoxy-2-methyl-1,3-benzothiazole
+[C@@H]1([C@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O	X0X	beta-d-talopyranuronic acid
+CN1c2c[nH]cc2C(=O)N(C1=O)C	X0Y	1,3-dimethyl-1h-pyrrolo[3,4-d]pyrimidine-2,4(3h,6h)-dione
+c1ccc(c(c1)c2nc(nc(n2)N)N)O	X11	2-(4,6-diamino-1,3,5-triazin-2-yl)phenol
+[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccc(cc1)O)C(=O)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N/[H])/N)N)NC(=O)[C@@H](Cc3ccc(cc3)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N\[H])/N)N)NC(=O)[C@@H](Cc4ccc(cc4)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N\[H])/N)N)N	X12	2-[[(2s)-2,6-bis[[(2s)-2,6-bis[[(2r)-2-[[(2r,3r)-2-[[(2r)-2-amino-5-carbamimidamido-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoic acid
+C[N+](C)(C)CCCCCCCCCCCCCSS(=O)(=O)C	X13	n,n,n-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium
+CCC(C)(C)[C@@H]1CCc2c(c([nH]n2)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C1	X14	(5r)-5-(2-methylbutan-2-yl)-n-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide
+C([C@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O	X15	1,3-bisphosphoglyceric acid
+Cc1nc2cc(ccc2c(n1)N)c3cccc(c3)S(=O)(=O)NC(=O)[C@H]([C@@H](C)O)N	X16	n-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide
+Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)C34CC5CC(C3)CC(C5)C4	X17	(5s)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4h-imidazol-4-one
+CCC(C)(C)[C@H]1CCc2c(c([nH]n2)C(=O)NC)C1	X19	(5s)-n-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide
+Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C	X1A	n-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C	X1E	(2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+CC(C)CC(=O)NCc1ccc2c(c1)OCO2	X1G	n-[(2h-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide
+COc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O	X1H	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl](4-methoxyphenyl)methanone
+CC(=O)N1Cc2ccc(cc2C1)N	X1J	1-(5-amino-1,3-dihydro-2h-isoindol-2-yl)ethan-1-one
+CNCc1cccc(n1)OC	X1M	1-(6-methoxypyridin-2-yl)-n-methylmethanamine
+Cc1nc2c(s1)-c3c(cnc(n3)N=C4CC=CC(=C4)[N+](=O)[O-])CC2	X1N	2-methyl-n-[(1z)-3-nitrocyclohexa-2,4-dien-1-ylidene]-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-8-amine
+C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O	X1P	1-o-phosphono-alpha-d-xylopyranose
+CCCS(=O)(=O)CCC(=O)O	X1R	3-(propylsulfonyl)propanoic acid
+C(CS(=O)(=O)O)C(=O)O	X1S	3-sulfopropanoic acid
+[C@@H]1([C@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O	X1X	alpha-d-talopyranuronic acid
+C1CCC(CC1)N2CC[C@H](N[C@H]2O)O	X1Y	(2r,4r)-1-cyclohexylhexahydropyrimidine-2,4-diol
+CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnco3)Nc4ccc(cc4Cl)C(=O)N(C)C	X20	tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate
+CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)c5cncn5C	X21	tert-butyl 6-{[2-chloro-4-(1-methyl-1h-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CO)N	X22	(3s,6s,7s,9as)-6-{[(2s)-2-aminobutanoyl]amino}-n-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N	X23	(3s,6s,7r,9as)-6-{[(2s)-2-aminobutanoyl]amino}-7-(aminomethyl)-n-(diphenylmethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide
+CC(C)(C)OC(=O)NCC1CCC(CC1)CNC(=O)c2cc(nc3c2cccc3)c4ccc(cc4)CN	X24	tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-yl}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate
+Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5	X25	4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine
+CC(C)Oc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C	X26	11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C	X27	2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+c1ccc(cc1)Cc2ccc(c(c2)c3cccc(c3)CCC(=O)O)C(=O)N	X28	3-(5'-benzyl-2'-carbamoylbiphenyl-3-yl)propanoic acid
+c1cc2nnc(n2cc1Br)c3cc(c(cc3O)O)Cl	X29	4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol
+c1cc(cc(c1)C2CCN(CC2)C(=O)c3cccc(c3)NC(=O)[C@]4(C5(CCC5)O[C@@](O4)(C(=O)Nc6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)C9(CCC9)O)O)CN	X2A	(6s,8r)-n,n'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide
+Cc1cccc(c1)[C@@H]2C[C@H]2NCCO[C@H]3CNC[C@H]3Cc4cc(cc(n4)N)C	X2C	4-methyl-6-{[(3r,4r)-4-(2-{[(1r,2s)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@@H]3C[C@H]3c4cccc(c4)Cl	X2D	6-{[(3r,4r)-4-(2-{[(1r,2s)-2-(3-chlorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@H](C)Cc3cccc(c3)F	X2E	6-{[(3r,4r)-4-(2-{[(2r)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O	X2F	2-deoxy-2-fluoro-alpha-d-xylopyranose
+c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N	X2G	4-{3-[(e)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate
+c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N	X2J	4-{3-chloro-5-[(e)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate
+Cc1cc([nH]c1\C=C/2\c3cc(ccc3NC2=O)N)C	X2K	(3z)-5-amino-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one
+COc1ccc(cc1)\C=C/2\c3cc(ccc3NC2=O)N	X2L	(3z)-5-amino-3-[(4-methoxyphenyl)methylidene]-1,3-dihydro-2h-indol-2-one
+Cc1cc([nH]c1\C=C/2\c3ccccc3NC2=O)C	X2M	(3z)-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one
+CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5C[C@](OC5)(Cn6cncn6)c7ccc(cc7F)F	X2N	posaconazole
+CC[C@@H](C)C(c1ccccc1)(c2ccccc2)SC[C@@H](C(=O)O)N	X2O	(2r)-2-amino-3-[(2r)-2-methyl-1,1-diphenyl-butyl]sulfanyl-propanoic acid
+C[C@@H](CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2[C@@]14CC[C@@H]5[C@H]4C5)O)Cc6ccc(c(c6)Cl)F)O	X2P	(1r,2r,5s)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2s)-2-hydroxypropyl]-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione
+c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)C#N	X2S	4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate
+c1cc2cc(ccc2c(c1)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)OS(=O)(=O)F)C#N	X2V	4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate
+CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O	X2W	n-acetyl-l-glutamyl 5-phosphate
+CC(=O)[C@@](C)(C(=O)O)O	X2X	(2s)-2-hydroxy-2-methyl-3-oxobutanoic acid
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O	X2Y	2,4-di-o-sulfo-alpha-l-fucopyranose
+CCN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C	X30	11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O	X32	n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-phenylalanine
+B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCCS(=O)(=O)N	X33	carborane inhibitor
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)OS(=O)(=O)O	X34	4-o-sulfo-alpha-l-fucopyranose
+C=CCNc1nc(c(s1)C(=O)c2cccnc2)N	X35	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
+c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccccc3)N	X36	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone
+CC(C)(C)c1ccc(cc1)CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+]	X37	4-(4-tert-butylbenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium
+c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	X39	4-amino-n-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
+c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccnc3)N	X3A	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
+Cc1cc(cc(c1OS(=O)(=O)C)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F	X3G	4-{[5-fluoro-4-(3-{[(3r)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1h-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate
+CC[C@@H]1CCC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]([C@@H](C)C/C=C/C)OC)O	X3H	pironetin
+C(CNC(=O)C[C@](CC(=O)O)(C(=O)O)O)N	X3J	(2s)-2-{2-[(2-aminoethyl)amino]-2-oxoethyl}-2-hydroxybutanedioic acid
+CC(C)(C)c1ccc(cc1)CC[C@@](CC(=O)O)(C(=O)O)O	X3M	(2r)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid
+CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCC[N](C)(C)C	X3P	[(2~{r})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate
+Cc1c(cc(s1)C(=O)NC2COC2)n3cc(cn3)NC(=O)Nc4c(cccc4Cl)F	X3S	4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-5-methyl-n-(oxetan-3-yl)thiophene-2-carboxamide
+c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cc(sc3)C(=O)NC4COC4)Cl	X3V	4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(oxetan-3-yl)thiophene-2-carboxamide
+C([C@@H](COP(=O)(O)OC[C@H](CO)O)O)O	X3X	bis[(2s)-2,3-dihydroxypropyl] hydrogen phosphate
+c1cc(c(c(c1)Cl)NC(=O)Nc2cnn(c2)c3cc(sc3)C(=O)NC4COC4)F	X3Y	4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(oxetan-3-yl)thiophene-2-carboxamide
+c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	X40	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCC)CO[P@@](=O)(O)[O-]	X41	1-myristoyl-2-myristoleoyl-sn-glycero-3-phosphate
+c1cc(cc(c1)F)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	X42	4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	X43	4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+c1cc(ccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)S(=O)(=O)N	X44	4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cccnc4	X45	(5s)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4h-imidazol-4-one
+COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccccc3)N	X46	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone
+CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCC3)C(=O)c4c[nH]cn4	X47	n-(4-tert-butylphenyl)-n-[(1r)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1h-imidazole-4-carboxamide
+c1ccc(cc1)C2=NC(=O)C(=CC2)O	X48	3-hydroxy-6-phenylpyridin-2(5h)-one
+C1[C@@H]([C@](O[C@@H]1O)(COP(=O)(O)O)O)O	X4A	[(2r,3s,5s)-2,3,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl	X4B	4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4nc(c5n4cccn5)C	X4C	8-methyl-6-[2-(5-methyl-1-phenyl-1h-benzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine
+Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4ncc5n4nccc5	X4D	7-[2-(5-methyl-1-phenyl-1h-benzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine
+Cc1cc(cc(c1OCCO)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F	X4G	(3r)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1h-pyrrol-3-yl]methyl}pyrrolidin-3-ol
+c1cncnc1O[C@@H]2C[C@@H]3CO[P@](=O)(O[C@@H]4[C@@H]([C@@H](CO[P@](=O)(O[C@H]3C2)S)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)S	X4M	(2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+c1cnc(cc1C(=O)N)Cl	X4P	2-chloropyridine-4-carboxamide
+C1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)S[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)S[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)O)O)O)O	X4S	beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyr  anose
+CN(C)c1ccnc(c1)N	X4V	n~4~,n~4~-dimethylpyridine-2,4-diamine
+C1CCC(CC1)[C@@H]2C[C@@H](ON2)N	X4Y	(3s,5r)-3-cyclohexyl-1,2-oxazolidin-5-amine
+Cc1nc2ccsc2c(n1)N=C3C4=C(C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C)N=N3	X4Z	(3e)-n-[(1s)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)imino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(3h)-carboxamide
+CC(NCCCCN)(O)O	X51	1-[(4-aminobutyl)amino]ethane-1,1-diol
+CCc1c(c(nc(c1C#N)SCc2ccc(cc2)N(C)S(=O)(=O)C)N(C)CCNC)C#N	X52	n-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino)ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-n-methylmethanesulfonamide
+CC(NCCCCNCCCN)(O)O	X54	1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol
+COc1cc(c(cc1O)Br)[C@@H]2N(C(=O)CS2)Cc3ccccc3	X55	(2r)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one
+CC1=C[C@H](N(C[C@@H]1NO[C@@H](C(=O)O)F)C=O)C(=O)N	X57	(2r)-({[(3r,6s)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid
+CC(=O)NCCCCN	X5A	n-(4-aminobutyl)acetamide
+c1cncnc1O[C@@H]2C[C@@H]3COP(=O)(O[C@@H]4[C@@H]([C@@H](COP(=O)(O[C@H]3C2)O)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)O	X5D	(2r,5r,7r,8r,10s,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+Cc1cc(cc(c1OCCN2CCCC2)C)Nc3nccc(n3)n4cc(c(c4)CN5CC(C5)O)C	X5G	1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1h-pyrrol-3-yl}methyl)azetidin-3-ol
+c1cncnc1N[C@@H]2C[C@@H]3CO[P@](=O)(O[C@@H]4[C@@H]([C@@H](CO[P@](=O)(O[C@H]3C2)S)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)S	X5J	(2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+CCN(CC)c1ccc(cc1[N](=O)O)C2=NNC(=O)C[C@H]2C	X5M	(4~{r})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{h}-pyridazin-6-one
+C1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)S[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)S[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)S[C@@H]5CO[C@H]([C@@H]([C@H]5O)O)O)O)O)O	X5S	beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyr  anosyl-(1->4)-4-thio-beta-d-xylopyranose
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X5Y	tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)Cl)C(=O)N	X62	4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide
+c1c(c(cc(c1[N+](=O)[O-])NCCO)NCc2cnc(nc2)N)C(=O)N	X63	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide
+c1ccc(c(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)[N+](=O)[O-]	X64	4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])S(=O)(=O)N	X65	5-nitro-2-[(4-sulfamoylbenzyl)amino]benzamide
+c1cc(c(cc1O)c2nc(nc(n2)N)N)O	X66	2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol
+c1cc(c(cc1F)c2nc(nc(n2)N)N)O	X67	2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol
+COc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2	X69	4-methoxy-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)N)C(=O)N	X6A	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-chloro-5-nitrobenzamide
+c1cc(cc(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	X6B	4-amino-n-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
+CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O	X6C	(2s,4r)-1-ethanoyl-n-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1cc(ccc1CN2CCOCC2)c3[nH]c4c(n3)c(c(cn4)Br)N5CCN(CC5)Cc6ccc(cc6)Cl	X6D	6-bromo-7-[4-(4-chlorobenzyl)piperazin-1-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]-3h-imidazo[4,5-b]pyridine
+Cc1cc(cc(c1)Nc2nccc(n2)n3cc(c(n3)C)CN4CC(C4)O)C	X6G	1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X6J	tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5	X6K	3-(4-morpholin-4-ylpyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol
+c1ccc(cc1)c2ccc(cc2)C(=O)CSc3[nH]c4c(n3)C(=O)NC(=N4)N	X6L	2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,9-dihydropurin-6-one
+Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CNC(=O)c4ccc(c(c4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C6C(F)(F)F)N7C[C@H](N([C@H](C7)C)C)C)F)O	X6M	n-(6-fluoro-3'-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonyl]amino}-4'-[(3r,5s)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-carbonyl)glycyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-{(1s)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-l-prolinamide
+Cn1cccc1c2cccc(c2)C(=O)O	X6P	3-(1-methylpyrrol-2-yl)benzoic acid
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X6S	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X6V	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CNCc1cc(nn1C)c2ccccc2	X6W	methyl-3-methyl-5-phenyl-2h-pyrazol-4-methyl amine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O	X6X	2-amino-2-deoxy-alpha-d-galactopyranose
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)O	X6Y	2-o-sulfo-alpha-l-fucopyranose
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSC[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X71	tert-butyl [(2s)-1-{[(2r)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cncnc2)C(=O)N	X72	4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide
+c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2ccc(nc2)Cl	X73	2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide
+CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X74	tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+c1cc(ncc1CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl)Cl	X75	4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide
+c1ccc(c(c1)C(=O)N)NCc2cccnc2	X76	2-[(pyridin-3-ylmethyl)amino]benzamide
+CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)c4c[nH]cn4	X77	n-(4-tert-butylphenyl)-n-[(1r)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1h-imidazole-4-carboxamide
+[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O	X7A	[(5r)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X7D	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)[C@H](c3ccc(c(c3)F)F)O	X7E	(4r)-5-[(s)-(3,4-difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydropyrimidine-2(1h)-thione
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)cnn4C)CN5CC(C5)O	X7G	1-[(3-methyl-1-{2-[(1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X7J	tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X7M	tert-butyl [(2s)-1-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+C[C@@H]1C[C@@H](N[C@H]1C(=O)O)N	X7O	5-amino-3-methyl-pyrrolidine-2-carboxylic acid
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X7P	tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)c5ccco5	X7V	n-([1,1'-biphenyl]-4-yl)-n-[(1r)-2-oxo-2-{[(1s)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4C)C	X7Y	2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC	X81	1-stearoyl-2-oleoyl-sn-glycero-3-phosphate
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCO	X84	4-[(3-hydroxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCN3CCOCC3	X85	4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+COCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2	X86	4-[(3-methoxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCN	X87	4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cnccn2	X88	5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide
+c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl	X89	1-[(2r)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole
+[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)NC)(O)(O)O	X8A	[(5r)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)
+CC1=CC2=NNC(=O)N2c3c1cccc3	X8D	5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
+CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccncc4	X8E	5-methyl-8-pyridin-4-yl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)Cl)CN5CC(C5)O	X8G	1-[(1-{2-[(3-chloro-1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+CC1=CC2=NNC(=O)N2c3c1cc(cc3)c4cccc(c4)O	X8I	7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
+CCN1c2cnc(nc2N(c3ccccc3C1=O)C)Nc4ccc(cc4OC)N5CCN(CC5)C	X8J	5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CC(C)[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3)C	X8M	ipratropium
+CC1=CC=CC2=[N]1[Ru]34([N]5=C(C=CC=C5)C6=[N]3C(=CC=C6)C7=CC=CC=[N]47)([N]8=C2C=CC=C8C)[N]9=CC=CC(=C9)CCCNC(=O)[C@@H](Cc1ccccc1)SC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	X8P	(tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappan)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~n~1~,n~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~n~1^{1~},n~2^{1~},n~3^{1~})ruthenium
+CC1=CC=CC2=[N]1[Ru]34([N]5=CC=CC=C5C6=[N]3C(=CC=C6)C7=CC=CC=[N]47)([N]8=C2C=CC=C8C)[N]9=CC(=CC=C9)CNC(=O)CCSC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	X8S	(tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappan)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~n~1~,n~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~n~1^{1~},n~2^{1~},n~3^{1~})ruthenium
+c1ccc(cc1)CCCCc2c(nc(s2)c3ccc4c(c3)/C(=N/Nc5nc6ccccc6s5)/CCC4)C(=O)O	X8U	2-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid
+[H]/N=C(\c1ccc(cc1)c2ccc(s2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N	X8V	2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1h-indole-6-carboximidamide
+c1cc(ccc1/C=C/C(=O)c2c(cc(cc2O)O)O)O	X8W	(2e)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
+c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O	X8Y	(1s,2s,3r,4s,5s)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O	X8Z	l-captopril
+CCCCCCCCCCCCCCCCC(=O)O	X90	heptadecanoic acid
+C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@H](CCc3ccccc3)C(=O)O	X92	ramiprilat
+C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O	X93	trandolaprilat
+CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O	X94	perindoprilat
+c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)O	X95	(s)-1-n2-(1-carboxy-3-phenylpropyl)-l-lysyl-l-tryptophan
+c1cc(ccc1CN)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]	X96	2-{[4-(aminomethyl)benzyl]amino}-5-nitrobenzamide
+c1ccc(cc1)C2(C(=O)N(C(=O)N2)CCCC(=O)N3CCC[C@H]3C(=O)N4CCCC4)c5ccccc5	X97	3-{4-oxo-4-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione
+c1ccc(cc1)C2=Nc3ccccc3N(C2=O)CCC(=O)N4CCC[C@H]4C(=O)N5CCCC5	X98	1-{3-oxo-3-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1h)-one
+c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)N3CC(C[C@H]3C(=O)N4CCCC4)(F)F	X99	2-{3-[(2s)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2h)-dione
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C@@-](C[C@]2(c3ccccc3NC2=O)O)C(=O)O)[O-]	X9D	4-[(e)-({1-carboxy-2-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
+CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3cccc4c3cn[nH]4	X9F	n^4^-1h-indazol-4-yl-n^2^-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O	X9G	1-[(1-{2-[(3-chloro-1,2-dimethyl-1h-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])C(=O)O	X9I	4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid
+CC(C)(C)c1nc(on1)C(=O)NCc2ccc(cc2F)c3ccnc4c3[nH]c(n4)c5cnn(c5)C	X9J	3-tert-butyl-n-({2-fluoro-4-[2-(1-methyl-1h-pyrazol-4-yl)-1h-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3ccnc4c3[nH]c(n4)c5ccc(cc5)C(=O)N6CCOCC6	X9M	4-tert-butyl-n-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1h-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide
+Cc1c(cnn1C(C)C)c2[nH]c3c(ccnc3n2)c4ccc5c(c4)CCC[C@@H]5NC(=O)c6nc(no6)C(C)(C)C	X9P	3-tert-butyl-n-[(1s)-6-{2-[5-methyl-1-(propan-2-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
+C[C@@H](C1N=C(C(=O)N1CC(=O)O)Cc2ccccc2)N	X9Q	{(2s)-2-[(1s)-1-aminoethyl]-4-benzyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl}acetic acid
+Cc1c(cnn1C2CCOCC2)c3[nH]c4c(n3)c(ccn4)c5ccc6c(c5)CCC[C@H]6NC(=O)c7nc(no7)C(C)(C)C	X9S	3-tert-butyl-n-[(1r)-6-{2-[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]-3h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
+Cc1c(cn(n1)C2CCOCC2)c3[nH]c4c(ccnc4n3)c5ccc6c(c5)CCC[C@@H]6NC(=O)c7nc(no7)C(C)(C)C	X9V	3-tert-butyl-n-[(1s)-6-{2-[3-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
+C([C@H]([C@H]([C@H]([C@H](CO)O)O)O)O)O	X9X	d-allitol
+Cc1c(c(n(n1)C(C)C)C)c2[nH]c3c(n2)c(ccn3)c4ccc5c(c4)CCCC[C@H]5NC(=O)c6nc(no6)C(C)(C)C	X9Y	3-tert-butyl-n-[(5r)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1h-pyrazol-4-yl]-3h-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
+c1c(cc(c(c1F)F)F)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl	XA0	4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide
+[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(cc2)Cl)(C(=O)O)N)(O)(O)O	XA1	{(5r)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-)
+[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(c(c2)Cl)Cl)(C(=O)O)N)(O)(O)O	XA2	(r)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid
+Cc1cc2cc(n1)-c3cnn(c3OCCC[C@H](CN\4c5cc(ccc5N/C4=N\C2=O)CN6CCN(CC6)C)C)C	XA4	(20r)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15h,17h-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6h)-one
+c1cc(ccc1C[C@@H](C(=O)O)N)C(=O)N	XA6	(2s)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid
+CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC	XA7	tetrahexyl ammonnium
+C[C@H]([C@@H](c1nccs1)N)O	XAA	(1s,2s)-1-amino-1-(1,3-thiazol-2-yl)propan-2-ol
+CCCN1c2c([nH]c(n2)c3ccc(cc3)OCC(=O)NCCN)C(=O)N(C1=O)CCC	XAC	n-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1h-purin-8-yl)phenoxy]acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@@H]([C@H](O3)COP(=O)(O)O)O)N	XAD	9-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-9h-purin-6-amine
+c1c2c(cc3c1ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)ncnc2N	XAE	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3h-imidazo[4,5-g]quinazolin-8-amine
+Cc1cccc(n1)c2c(c[nH]n2)c3ccc(c(c3)c4ccc(cc4)S(=O)(=O)CCO)F	XAF	2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{h}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCN)O	XAG	n-{2-[(2-aminoethyl)sulfanyl]ethyl}-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)ONC(=O)[C@H](CCCCN)N)O)O)N	XAH	5'-o-{(r)-hydroxy[(l-lysylamino)oxy]phosphoryl}adenosine
+CCOC(=O)c1c(c(c[nH]1)Cc2ccc(c3c2ocn3)C(F)(F)F)C	XAJ	ethyl 3-methyl-4-{[4-(trifluoromethyl)-1,3-benzoxazol-7-yl]methyl}-1h-pyrrole-2-carboxylate
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](C=C3)COP(=O)(O)O)O)N	XAL	[(1s,4r,6r)-6-hydroxy-4-(adenin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+Cc1c(c(c([nH]1)C(=O)N[C@@H](C)[C@@]2(C[C@@H](O[C@@H]([C@H]2O)C)O[C@@H]3CCC(=C)[C@H]4[C@H]3C=C[C@@H]([C@@H]4C(=O)C5=C([C@@H](N(C5=O)[C@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)C)OC(=O)N)OC(=O)C)OC)C(C)C)O)C)O)Cl)Cl	XAM	(1r,4as,5s,6s,8ar)-5-{[(5s)-1-(3-o-acetyl-4-o-carbamoyl-6-deoxy-2-o-methyl-alpha-l-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1h-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-c-[(1s)-1-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-d-ribo-hexopyranoside
+c1[nH]c2c(n1)C(=O)NC(=O)N2	XAN	xanthine
+CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O	XAO	cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylamide
+C(CN)CON	XAP	3-aminooxy-1-aminopropane
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](C=C3)COP(=O)(O)O)O)N	XAR	[(1r,4s,6s)-4-(6-amino-9h-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@@]12O[C@@]1(C[C@H](CC2(C)C)O)C)/C)/C)/C=C/C=C(/C=C/[C@@]34O[C@@]3(C[C@H](CC4(C)C)O)C)\C	XAT	(3s,5r,6s,3's,5'r,6's)-5,6,5',6'-diepoxy-5,6,5',6'- tetrahydro-beta,beta-carotene-3,3'-diol
+c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F	XAV	2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-4-ol
+C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)(=S)(S2)O)OP(=O)(O)O	XAX	{[(5ar,8r,9ar)-2-amino-4-oxo-6,7-di(sulfanyl-kappas)-3,5,5a,8,9a,10-hexahydro-4h-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum
+Cc1ccc(cc1)C(=O)Nc2cccc(c2)C[C@@H](C#N)C(=O)Nc3ccccc3C(=O)O	XAY	2-{[(2s)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid
+Cc1cc(n2c(n1)cc(n2)N)C	XAZ	5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
+CN1c2c(nc([nH]2)SCCCNC(=S)NCCN3CCOCC3)C(=O)N(C1=O)C	XB1	n-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1h-purin-8-yl)sulfanyl]propyl}-n'-[2-(morpholin-4-yl)ethyl]thiourea
+COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F	XB7	1-[(4-fluorophenyl)methyl]-n-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1h-benzimidazol-2-amine
+c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)OCC4CC4	XBA	7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3h)-one
+C1C[C@H](CN=C1)N	XBB	(3s)-2,3,4,5-tetrahydropyridin-3-amine
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4CC(F)(F)F)C	XBD	2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)O	XBG	(2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylic-acid
+CC(C)([C@@H]1CNC[C@H]1Nc2c3cc(c(cc3nc(n2)c4cc(ccc4O)F)OC)OC)O	XBJ	4-fluoro-2-(4-{[(3s,4r)-4-(1-hydroxy-1-methylethyl)pyrrolidin-3-yl]amino}-6,7-dimethoxyquinazolin-2-yl)phenol
+C[C@@H]1C\C=C\C=C\C=C\C=C\[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C\C=C\C=C\C(=O)O1)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O	XBK	4,5-de-epoxypimaricin
+Cc1nnc2n1nc(c3c2cccc3)N4CCc5ccccc5C4	XBL	6-(3,4-dihydroisoquinolin-2(1h)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
+CC(C)[C@@H](C(=O)NO)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c2cc(cc(c2)Cl)Cl	XBM	n-[(3,5-dichlorophenyl)sulfonyl]-l-phenylalanyl-n-hydroxy-l-valinamide
+O=[Mo]123(=O)O[Mo]45(=O)(=O)[O+2]16[Mo]7(=O)(=O)(O2)O[Mo]89(=O)(=O)[O+]7[Mo]612(O3)[O+]4[Mo]3(=O)(=O)([O+2]81[Mo](=O)(=O)(O3)(O9)O2)O5	XBO	heptamolybdate
+C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O	XBP	xylulose-1,5-bisphosphate
+c1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)CCC(=O)O)c4ccc(cc4)Cl	XBR	3-(1-(4-chlorophenyl)-3,4-dihydro-1h-pyrido(3,4-b)indol-2(9h)-yl)propanoic acid
+B(c1ccc(cc1)/C=C/c2cccc(c2)C(=O)O)(O)O	XBS	3-[(e)-2-(4-boronophenyl)ethenyl]benzoic acid
+CC[C@@H](C)C1=NCCS1	XBT	2-[(1r)-1-methylpropyl]-4,5-dihydro-1,3-thiazole
+COC(=O)[C@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O	XBU	methyl (2~{r})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)[C@H]3C[N@](C[C@@H]3C(=O)Nc4ccc(cn4)Cl)CC(F)F	XBV	(3r,4r)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide]-4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+Cc1cc(no1)[C@@H](C)NC(=O)c2c(c(c[nH]2)Cc3ccc(cc3)C(F)(F)F)C	XBY	3-methyl-n-[(1r)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1h-pyrrole-2-carboxamide
+Cc1ccc(c(c1)C)C	XBZ	1,2,4-trimethylbenzene
+C1CN(C(=O)N=C1N)[C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O	XC	[(2~{r},3~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-4,5-dihydropyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CCC[C@@H](C(=O)NO)NC(=O)[C@H]([C@@H](C)CC)NS(=O)(=O)c1cc(cc(c1)Cl)Cl	XC1	n-[(3,5-dichlorophenyl)sulfonyl]-l-isoleucyl-n-hydroxy-l-norvalinamide
+c1ccc2c(c1)cccc2CC3=C(C(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O)CN6CCOCC6	XC2	(3r)-8-cyclopropyl-6-(morpholin-4-ylmethyl)-7-(1-naphthylmethyl)-5-oxo-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+[B+](/C=C/C[C@H]1CN(C[C@]1(C(=O)O)N)C(=O)[C@H](C)N)(O)(O)O	XC3	[(~{e})-3-[(3~{s},4~{r})-4-azanyl-1-[(2~{s})-2-azanylpropanoyl]-4-carboxy-pyrrolidin-3-yl]prop-1-enyl]-tris(oxidanyl)boranium
+c1ccc2c(c1)nnn2OC(=O)c3ccc4c(c3)cc[nH]4	XC4	1-[(1h-indole-5-carbonyl)oxy]-1h-benzotriazole
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O	XC5	2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine
+Cc1c(c[nH]c1C(=O)N[C@H](C)c2nc[nH]n2)C3(CC3)c4ccc(nc4)C(F)(F)F	XC7	3-methyl-n-[(1r)-1-(1h-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide
+C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)O)C)C	XCA	(8alpha,10alpha,25s)-3-hydroxycholesta-3,5-dien-26-oic acid
+S1[Fe]2[S@@]([Fe]3[S@@]2[Fe]1[S@]3[Ni])[Fe]	XCC	fe(4)-ni(1)-s(4) cluster
+Cc1cc(no1)[C@@H](C)NC(=O)c2c(c(c[nH]2)c3c[nH]c4c3ccc(c4)C(F)(F)F)C	XCD	3-methyl-n-[(1r)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1h-indol-3-yl]-1h-pyrrole-2-carboxamide
+COc1cc(c2c(c1OC)O[C@@H](C=C2)C3CC3)Cc4cnc(nc4N)N	XCF	5-[[(2r)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl]pyrimidine-2,4-diamine
+c1ccc2c(c1)cc(o2)c3[nH]ccn3	XCG	2-(2-benzofuranyl)-2-imidazoline
+Cc1cc(ccc1OCCCC(=O)NO)Cl	XCH	droxinostat
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C[Se]P(O)O)O	XCI	[(2~{s},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylselanylphosphonous acid
+CS(=O)(=O)c1ccc2c(c1)sc(n2)NC(=O)Cc3csc(n3)n4cccc4	XCJ	n-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1h-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide
+C1[C@H](C=C[C@H]([C@@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N	XCL	[(1s,4r,6r)-6-hydroxy-4-(cytosin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+Cc1cc(n[nH]1)[C@@H](C)NC(=O)c2c(c(c[nH]2)C3(CC3)c4ccc(nc4)C(F)(F)F)C	XCM	3-methyl-n-[(1r)-1-(5-methyl-1h-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide
+C([C@@H](C(=O)O)N)SC#N	XCN	s-cyano-l-cysteine
+O=[W]1234O[Co]567O18[Si@]91O%10%11[W]%12%13(=O)(O5)O[W]5%14(=O)(O6)O96[W]9%15(=O)(O5)O[W]%105(=O)(O%12)O[W]%11(=O)(O2)(O%13)O[W]2%10(=O)(O5)O11[W]5(=O)(O3)(O2)O[W]1(=O)(O9)(O%10)O[W]6(=O)(O%14)(O%15)O[W]8(O7)(O4)(O5)[O]	XCO	co-substituted beta-keggin
+C1C[C@@H]([C@H](C1)N)C(=O)O	XCP	(1s,2s)-2-aminocyclopentanecarboxylic acid
+C1[C@@H](C=C[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N	XCR	[(1r,4s,6s)-4-(4-amino-2-oxopyrimidin-1(2h)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate
+Cc1cc(c2c(c1)C(=NC(=O)N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	XCS	(1r)-1-(4-amino-6-methyl-2-oxo-1,2-dihydroquinazolin-8-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol
+C1C[C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N	XCT	4-amino-1-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)pyrimidin-2(1h)-one
+O=[W]1234O[Cu]56O[W]78(=O)(O1)O2[P@]91=O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O96[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O)(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O2)(O8)O7	XCU	cu-substituted alpha-keggin
+Cc1c(c[nH]c1C(=O)N[C@H](C)c2cc([nH]n2)C#N)C3(CC3)c4ccc(nc4)C(F)(F)F	XCV	n-[(1r)-1-(5-cyano-1h-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide
+CCCCCCCN(CCc1ccc(cc1)OC(C)(C)C(=O)O)c2nc3ccccc3o2	XCX	2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid
+c1cc(ccc1CN)CNC2=NC(=O)N(C=C2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	XCY	{5-[4-{[4-(aminomethyl)benzyl]amino}-2-oxopyrimidin-1(2h)- yl]-3-hydroxytetrahydrofuran-2-yl}methyl dihydrogen phosphate
+Cc1ccnc(n1)S(=O)(=O)N	XCZ	1.7.6 4-methylpyrimidine-2-sulfonamide
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)N)C(=O)O)C	XD1	(2r,4s)-2-[(1r)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+Cn1c(nnn1)SCC2=C(N[C@H](SC2)[C@@H](C=O)NC(=O)[C@@H](c3ccccc3)O)C(=O)O	XD2	(2r)-2-[(1r)-1-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1cc(ccc1N)C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)C	XD4	[(1r,2r,4r)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate
+c1cc(ccc1C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3)N	XD5	[(1r,2s,4s)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate
+c1c(c2c(c(c1O)Cl)CC(=O)CCCC/C(=C/CCOC2=O)/C=O)O	XD6	(5z)-13-chloro-14,16-dihydroxy-1,11-dioxo-3,4,7,8,9,10,11,12-octahydro-1h-2-benzoxacyclotetradecine-6-carbaldehyde
+C\C=C\c1cc2c(s1)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O	XD9	(4r,6r,7s)-4,6,7-trihydroxy-2-[(1e)-prop-1-en-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
+CN(C)C(=O)[C@H]1CCC=C[C@H]1NC(=O)OCc2ccc(cc2)C(=O)NCCOP(=O)(O)O	XDA	4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1r,6s)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate
+c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N	XDD	n-[(1s,2s)-2-aminocyclopentyl]-n-[(6-amino-9h-purin-9-yl)acetyl]glycine
+CNC[C@H](c1ccc(c(c1)O)O)O	XDE	4-[(1s)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
+CC(C)(c1cc(c(c(c1)Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl	XDH	4,4'-propane-2,2-diylbis(2,6-dichlorophenol)
+CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br	XDI	4,4'-propane-2,2-diylbis(2,6-dibromophenol)
+c1nc2c(n1CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N=C(NC2=O)N	XDJ	n-[(1s,2s)-2-aminocyclopentyl]-n-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)acetyl]glycine
+c1cc(cnc1)c2ccnc(n2)N	XDK	2-amino-4-pyridyl-pyrimidine
+C1C[C@@H](C(=O)NC1)O	XDL	xylose-derived isofagomine lactam
+CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C	XDM	~{n}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide
+C1[C@H](C([C@H](CN1)O)O)O	XDN	piperidine-3,4,5-triol
+C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O	XDP	d-xylulose-2,2-diol-1,5-bisphosphate
+CCCCCCOC(=O)[C@]1(C[C@@H]2n3c4ccccc4c5c3c6c(c7ccccc7n6[C@]1(O2)C)c8c5C(=O)N=C8)O	XDR	hexyl (5s,6r,8r)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13h-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate
+CN1C2=NC(=O)NC(=O)[C@@]2(NC1=O)OO	XDS	(5s)-5-(dioxidanyl)-9-methyl-7h-purine-2,6,8-trione
+CC([C@H](C(=O)O)N)OC	XDT	o-methyl-d-allothreonine
+C(COCCOCC(=O)N)N	XDV	2-[2-(2-aminoethoxy)ethoxy]acetamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](COP(=O)(O)O)C(=O)O)O)O)O)O	XDX	(2r)-2-(alpha-d-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid
+CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)[C@H]2CCC[C@@H]2N	XDY	n-[(1s,2s)-2-aminocyclopentyl]-n-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]glycine
+[Xe]	XE	xenon
+N(P(NP(=O)(O)O)(O)O)P(=O)(O)O	XE1	n,n'-(dihydroxy-lambda~5~-phosphanediyl)bis(phosphoramidic acid)
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2C#CC#CC(C)(C)O	XE4	1,3-cyclohexanediol, 4-methylene-5-[(2e)-[(1s,3as,7as)-octahydro-1-(5-hydroxy-5-methyl-1,3-hexadiynyl)-7a-methyl-4h-inden-4-ylidene]ethylidene]-, (1r,3s,5z)
+Cc1c(c[nH]c1C(=O)N[C@H](C)c2cc([nH]n2)C(=O)N)Cc3ccc(nc3)C(F)(F)F	XE7	3-{(1r)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1h-pyrrole-2-carbonyl)amino]ethyl}-1h-pyrazole-5-carboxamide
+C1CON[C@@H]1C#N	XEA	(3r)-1,2-oxazolidine-3-carbonitrile
+CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N	XEB	7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
+CC1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O	XED	dextrofloxacine
+c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O	XEG	(2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate
+C[C@H](CC(=O)N)N	XEJ	(3r)-3-aminobutanamide
+CCCCN1CCCC(=C1)C(=O)N	XEN	1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide
+c1cc(ccc1c2[nH]nnn2)C(=O)[C@@H]3CCC[C@H]3C(C(=O)O)C(=O)O	XES	{(1r,2r)-2-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}propanedioic acid
+COc1cccc(c1)c2cccc(c2)C(=O)O	XEV	3-(3-methoxyphenyl)benzoic acid
+c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)Cl)c4cccnc4	XEY	2-[3-(3,5-dichlorophenyl)-2-oxo[2h-[1,3'-bipyridine]]-5-yl]benzonitrile
+c1c[nH]nc1c2cnc3n2cc(nc3)c4c[nH]nc4	XEZ	6-(1h-pyrazol-3-yl)-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine
+CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N	XF1	2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2h-[1,3'-bipyridine]]-5-yl]benzonitrile
+c1ccc(cc1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	XF4	(5s)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2h-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3h,5h)-dione
+c1cc2c(cc[nH]2)c(c1)N3CCNCC3	XF5	4-(piperazin-1-yl)-1h-indole
+c1ccc(c(c1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)Cl	XF7	(5s)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2h-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3h,5h)-dione
+CNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c3cc(ccc3Oc4ccc(cc4)Cl)Cl	XFA	2-{[5-chloro-2-(4-chlorophenoxy)phenyl](2-{[2-(methylamino)ethyl]amino}-2-oxoethyl)amino}-n-(1,3-dihydro-2h-isoindol-2-yl)-n-methylacetamide
+C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C=O	XFC	4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde
+c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)OCC4CC4)c5cccnc5	XFD	2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2h-[1,3'-bipyridine]]-5-yl}benzonitrile
+Cc1c[nH]c2c1c(ncn2)[N@]3CC[C@H](C3)N	XFE	(3r)-1-(5-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
+[B-](CCC[C@@H]1[C@H](CN[C@@H]1C(=O)O)N)(O)(O)O	XFG	3-[(2~{s},3~{r},4~{r})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
+Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C	XFH	6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine
+C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)N(c4ccccc4)S(=O)(=O)C)O	XFI	n-((1s,2r)-3-(((1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-( phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino) benzamide
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C	XFJ	6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C	XFK	6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(cc(n3)N)C	XFL	6,6'-(pyridine-2,6-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C	XFM	6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C	XFN	6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine)
+[B-](CCC[C@@H]1CCCN[C@@H]1C(=O)O)(O)(O)O	XFP	3-[(2~{s},3~{r})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)O)CC(=O)O	XFS	3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid
+C1CS(=O)(=O)C1	XFV	1lambda~6~-thietane-1,1-dione
+C(CC(N)N)[C@@H](C(=O)O)N	XFW	(2s)-2,5,5-tris(azanyl)pentanoic acid
+CCCCn1cc2c3ccccc3nc(c2n1)N	XG1	2-butyl-2h-pyrazolo[3,4-c]quinolin-4-amine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N	XG4	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine
+c1c2c(cc3c1ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)N=C(NC2=O)N	XGA	6-amino-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CN(C)C(=O)c1cccc(c1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3)CCNC(=O)c4ccccc4n5nccn5)OC	XGD	4'-methoxy-n,n-dimethyl-3'-{[3-(2-{[2-(2h-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide
+CC(C)(CNC(=O)C[C@H]1CN(c2ccc(cc2S1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(cc3)F)O	XGH	2-[(2s)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2h-1,4-benzothiazin-2-yl]-n-(2-hydroxy-2-methylpropyl)acetamide
+C1N[C@H](NN1)N	XGJ	(3s)-1,2,4-triazolidin-3-amine
+c1nc2c(n1[C@@H]3C[C@H]([C@@H](C=C3)COP(=O)(O)O)O)N=C(NC2=O)N	XGL	[(1s,4r,6r)-6-hydroxy-4-(guanin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+CCC(=O)NO	XGM	n-hydroxypropanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O	XGP	1-o-phosphono-beta-d-glucopyranose
+c1nc2c(n1[C@H]3C[C@@H]([C@H](C=C3)COP(=O)(O)O)O)N=C(NC2=O)N	XGR	[(1r,4s,6s)-4-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate
+C1CS(=O)(=O)N1	XGS	1lambda~6~,2-thiazetidine-1,1-dione
+c1nc2c(n1[C@H]3CC[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	XGU	2-amino-9-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-1,9-dihydro-6h-purin-6-one
+c1cc(nnc1)N	XGV	pyridazin-3-amine
+CN1C[C@H](NC1)N	XGY	(4s)-1-methylimidazolidin-4-amine
+CC(C)NC(=O)N	XH1	n-propan-2-ylurea
+C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)CCO)O)O	XH2	(1r,4r,5r)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid
+C1CNN[C@@H]1CO	XH4	[(3r)-pyrazolidin-3-yl]methanol
+C1CSC[C@H]1C(=O)O	XH7	(3r)-thiolane-3-carboxylic acid
+c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N	XH8	7-(((3-(pyridin-3-yl)propyl)amino)methyl)quinolin-2-
+CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2cccc(c2)C(F)(F)F)CO)O)O	XHA	2-[(2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{n}-methyl-ethanamide
+C(C#N)C(=O)N	XHD	2-cyanoacetamide
+C1C[C@@H](OC1)CN	XHG	1-[(2r)-oxolan-2-yl]methanamine
+C1CNN[C@@H]1N	XHJ	(3s)-pyrazolidin-3-amine
+Cc1cccc(c1c2cc3c(cc2C#N)cnn3c4ccc(cc4)N5CCN(CC5)C)F	XHM	6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-5-carbonitrile
+C=C1CN=C2C(=N1)C(=O)NC(=N2)N	XHP	2-amino-6-methylidene-6,7-dihydropteridin-4(3h)-one
+CN1CCN(CC1)c2cccc(n2)n3c4cc(ncc4cn3)c5c(cccc5F)OC	XHS	6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1h-pyrazolo[4,3-c]pyridine
+CN1CCN(CC1)c2ccc(cc2)n3c4cc(ncc4cn3)c5c(cccc5F)OC	XHV	6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrazolo[4,3-c]pyridine
+Cc1ccc2c(c1)c(c(o2)C#Cc3ccc(cc3)C(=O)O)CC(=O)O	XHY	4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid
+c1cc(c(cc1OC2CCC(CC2)NS(=O)(=O)C(F)(F)F)Cl)C#N	XI1	n-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide
+C[C@H](CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F	XI2	6-(2,4-difluorophenoxy)-n-[(1r)-1-methyl-2-(methylsulfonyl)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-3-amine
+c1ccc(cc1)C(=O)CC(=O)C(=O)O	XI7	2-4-dioxo-4-phenylbutanoic acid
+CC(=CCC[C@@]1([C@H](Cc2cc(ccc2O1)C(=O)O)O)C)C	XIA	(2r,3s)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid
+C1CNC[C@H]([C@@H]1O)O	XIF	piperidine-3,4-diol
+COc1ccc(cc1)c2ccc(cc2)CN([C@H]3CCCc4c3cccc4)C(=O)c5cc(c(cc5C(=O)O)C(=O)O)C(=O)O	XIG	5-{[(4'-methoxybiphenyl-4-yl)methyl][(1s)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
+CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C	XIH	2-({8-[(3r)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl}methyl)benzonitrile
+C1CNC(=O)[C@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O	XIL	(3s,4r)-3-hydroxy-2-oxopiperidin-4-yl beta-d-xylopyranoside
+c1cn2c(n1)[C@@H]([C@H]([C@@H](C2)O)O)O	XIM	5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine-6,7,8-triol
+CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5	XIN	methyl (3z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1h-indole-6-carboxylate
+c1ccc(cc1)P(c2ccccc2)c3ccc(cc3)C(=O)O	XIS	4-diphenylphosphanylbenzoic acid
+c1([nH]nc(n1)N)N	XIX	3,5-diamino-1h-[1,2,4]triazole
+c1ccc2c(c1)[nH]c(n2)CO	XIY	2-hydroxymethyl-benzoimidazole
+c1cnccc1\C=C\C(=O)O	XIZ	(e)-pyridin-4-yl-acrylic acid
+c1c(cnc(n1)N)\C=C\C(=O)O	XJ0	(e)-3-(2-amino-pyridine-5yl)-acrylic acid
+c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)\C=C\C(=O)O	XJ1	(2e)-3-(3-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}phenyl)prop-2-enoic acid
+CNC[C@H](CN1CCCc2ccccc2C1)O	XJ2	(2r)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol
+Cc1c(nc(nc1NC2CCOCC2)c3cccc(c3)CNCCNC)c4c(noc4C)C	XJ3	n'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-n-methyl-ethane-1,2-diamine
+Cc1c(nc(nc1Nc2ccccc2)c3cccc(c3)CNCCNC)c4c(noc4C)C	XJ4	n'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-n-methyl-ethane-1,2-diamine
+CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O	XJ7	(2s)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1r,2r,3s,4s,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate
+c1ccc(cc1)C[C@@H](C(=O)NCc2cccc3c2ccc(n3)N)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O	XJ8	n-[(1s)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide
+CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC)COP(=O)(O)OC1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O	XJA	(2s)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1s,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate
+CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)OCCN	XJD	(10r,13s)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl tridecanoate
+Cc1cc2c(c(c1)OC)C(=CC(=O)O2)CP(=O)(O)O	XJE	[(5-methoxy-7-methyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+CC(C)c1cc(c(cc1OC)O)C(=O)N2Cc3ccccc3C2	XJG	1,3-dihydroisoindol-2-yl-(2-hydroxy-4-methoxy-5-propan-2-yl-phenyl)methanone
+c1ccc(cc1)Oc2cccc(c2)O[C@H]3CNC[C@H]3Cc4cccc(n4)N	XJH	6-{[(3r,4r)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
+C1CNC(=O)CN1	XJJ	piperazin-2-one
+Cc1[nH]nnn1	XJM	5-methyl-1h-tetrazole
+CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)c2ccccc2CN(C)C)C)C)C	XJO	(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate
+C1[C@@H](N[C@@H](S1)N)N	XJP	(2s,4r)-1,3-thiazolidine-2,4-diamine
+CCN(CC)C(=O)CCC(=O)NCCCN(CCCNC(=O)CCC(=O)N(CC)CC)C(=O)CCC(=O)NCC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	XJS	2'-deoxy-5-[9-(3-{[4-(diethylamino)-4-oxobutanoyl]amino}propyl)-18-ethyl-5,8,14,17-tetraoxo-4,9,13,18-tetraazaicos-1-yn-1-yl]uridine 5'-(tetrahydrogen triphosphate)
+C1CNC(=O)N1	XJV	imidazolidin-2-one
+CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(CC4)C	XJX	onalespib
+B(C1CCC1)(O)O	XJY	cyclobutylboronic acid
+C[C@]1(CCSC(=N1)N)c2ccc(cc2)OC	XK0	(4s)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
+C1[C@H](NCO1)CN	XK1	1-[(4r)-1,3-oxazolidin-4-yl]methanamine
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc4ccccc4c3)Cc5ccc6ccccc6c5)Cc7ccccc7)O)O	XK2	[4r-(4alpha,5alpha,6beta,7beta)]-hexahydro-5,6-dihydroxy-1,3-bis[2-naphthyl-methyl]-4,7-bis(phenylmethyl)-2h-1,3-diazepin-2-one
+CCc1ccsc1c2cnc(c(n2)C3CCC(CC3)C(=O)O)N	XK3	4-[3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl]cyclohexane-1-carboxylic acid
+C1CON[C@H]1N	XK4	(3r)-1,2-oxazolidin-3-amine
+C1CC1(C(=O)N)N	XK7	1-aminocyclopropane-1-carboxamide
+C/C(=N\NC(=N)NO)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-]	XK9	n-{4-[(1e)-n-(n-hydroxycarbamimidoyl)ethanehydrazonoyl]phenyl}-7-nitro-1h-indole-2-carboxamide
+Cc1c(sc(n1)c2cnccn2)C(=O)c3cnc(s3)N[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	XKA	[2-[[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone
+C[C@H](C(=O)NC)N	XKD	n-methyl-d-alaninamide
+Cc1cc(c(c(c1)C)/N=C/2\C=C3c4cc(c(cc4CCN3C(=O)N2C)OC)OC)C	XKG	(2e)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4h-pyrimido[6,1-a]isoquinolin-4-one
+CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	XKJ	dodecyl beta-d-glucopyranoside
+CCNC(=O)c1cc(on1)c2c(cc(cc2Oc3ccc(cc3)[N+](=O)[O-])O)O	XKL	5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-n-ethyl-1,2-oxazole-3-carboxamide
+CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN	XKP	(11r,14s)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate
+C1C(CN1)O	XKS	azetidin-3-ol
+CC[C@@H](C(=O)N)N	XKV	(2r)-2-aminobutanamide
+C1[C@H](NCN1)C#N	XKY	(4s)-imidazolidine-4-carbonitrile
+CCS	XL1	ethanethiol
+C[C@H](c1ccc(cc1)Nc2nc3c(cc(cc3s2)F)C(=O)N)N(C)C	XL2	2-({4-[(1r)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide
+CCCS	XL3	propane-1-thiol
+CCC(=O)Nc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)F	XL5	n-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide
+CCC(=O)Nc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)C	XL6	n-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide
+CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)F	XL7	n-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide
+CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)Cl	XL8	n-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide
+CCC(=O)N[C@H]1CCOC[C@H]1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl	XL9	n-[(3s,4s)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide
+B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)C(=O)O)(O)O	XLB	3-[(e)-2-(4-borono-2-chlorophenyl)ethenyl]benzoic acid
+CN1CCN(CC1)Cc2csc(c2Cl)C(=O)Nc3ccc(cc3C(=O)Nc4ccc(cc4)Cl)Cl	XLC	3-chloro-n-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide
+CN(Cc1csc(c1Cl)C(=O)Nc2c(cc(cc2OC)Cl)C(=O)Nc3ccc(cn3)Cl)C4=NCCO4	XLD	3-chloro-n-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide
+C1[C@H]([C@@H]([C@](O1)(CO)O)O)O	XLF	beta-d-xylulofuranose
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)C)O	XLI	n-acetyl-l-leucyl-n-[(4s,5s,7r)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-l-methioninamide
+CCC/C=C\S(=O)(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)O)O	XLN	n~3~-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-(3-{[(1z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide
+c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2Cl)O	XLO	3-[(e)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoic acid
+c1cc2c(cc1C(=O)O)scn2	XLP	1,3-benzothiazole-6-carboxylic acid
+C([C@H]([C@@H]([C@H](C=O)O)O)O)O	XLS	d-xylose
+Cc1c(noc1N)C	XLV	3,4-dimethyl-1,2-oxazol-5-amine
+C(CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O	XLX	4,4'-(ethylenediimino)bis[4-oxobutyrate]
+C[C@H]1CNc2ccccc2C(=O)N1	XLY	(3r)-3-methyl-1,2,3,4-tetrahydro-5h-1,4-benzodiazepin-5-one
+c1ccc2c(c1)CC(C2)N	XM0	indan-2-amine
+c1cc(ccc1C[C@@H](CN)C(=O)N2CCN(CC2)c3c4cc[nH]c4ncn3)Cl	XM1	(2s)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine
+C[C@H]([C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C	XM2	n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-phenylalaninamide
+Cc1cc(ccc1NC(=O)C)Cl	XM4	n-(4-chloro-2-methylphenyl)acetamide
+CN1c2c(ccc3c2OCO3)C(=CC1=O)OC	XM5	6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one
+COP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	XM7	5'-o-[(r)-hydroxy(methoxy)phosphoryl]adenosine
+COC[C@@]12C[N@@](CC(=O)N1CC3(O2)CCN(CC3)c4ccncc4)S(=O)(=O)c5ccc6cc(ccc6c5)Cl	XMA	(-)-7-[(6-chloro-2-naphthalenyl)sulfonyl]tetrahydro-8a-(methoxymethyl)-1'-(4-pyridinyl)-spiro[5h-oxazolo[3,2-a]pyrazine-2(3h),4'-piperidin]-5-one
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC[C@@H](C(=O)N3CCS(=O)(=O)CC3)NCC4CCN(CC4)c5ccncc5	XMB	4-[(2r)-3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-1-oxo-2-[[[1-(4-pyridinyl)-4-piperidinyl]methyl]amino]propyl]-thiomorpholine-1,1-dioxide
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3C[C@@H](N(C(=O)C3)CC4CCN(CC4)c5ccncc5)C(=O)N6CCOCC6	XMC	4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinyl]carbonyl]morpholine
+CCOC(=O)[C@H]1C[N@](CC(=O)N1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl	XMD	(2r)-4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)C=NO	XME	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-hydroxyiminomethyl-1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@@]3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)CO	XMF	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-hydroxymethyl-1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@@]3CC[N@]([C@@H](C3)C(=O)O)CC4CCN(CC4)c5ccncc5	XMG	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl] methyl]-2-piperazinecarboxylic acid
+CCOC(=O)[C@H]1C[N@](CC[N@@]1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl	XMH	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3CCN(C(=O)C3)CC4CCN(CC4)c5ccncc5	XMI	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
+c1cc(ccc1\C=C\S(=O)(=O)[N@]2CCN(C(=O)C2)CC3CCN(CC3)c4ccncc4)Cl	XMJ	4-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
+c1cc(ccc1\C=C\S(=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4)Cl	XMK	1-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-4-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazine
+c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br	XMM	5-bromo-4-chloro-1h-indol-3-yl alpha-d-mannopyranoside
+c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O	XMP	xanthosine-5'-monophosphate
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN(CC3)C)Cl	XMQ	2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(cc3)Cl	XMS	(3s)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid
+C[C@H](c1ccccc1)[C@H](C[C@@H](C[N@@]2CC[N@](C[C@H]2C(=O)NC(C)(C)C)Cc3cccnc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O	XN1	n-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4-hydroxy-2-(1-phenylethyl)-pen tanamide
+C[C@H](c1ccccc1)[C@H](C[C@@H](C[N@@]2CC[N@](C[C@H]2C(=O)NC(C)(C)C)Cc3ccc4c(c3)OCO4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	XN2	n-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4-hydroxy-2-(1-phe nylethyl)-pentanamide
+CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5ccc6c(c5)OCO6	XN3	n-[2(r)-hydroxy-1(s)-indanyl]-5-[(2(s)-tertiary butylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethylpentanamide
+C(CO)NCC(=O)NCCO	XN7	n,n~2~-bis(2-hydroxyethyl)glycinamide
+Cc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5	XNA	n~8~-(cyclopropylmethyl)-n~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine
+CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5	XNB	n~8~-(cyclopropylmethyl)-n~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine
+Cc1cccc(n1)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCc6ccccc6)S(=O)(=O)CC(C4)(C)C)O	XNC	(11s)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide
+CC(=O)N1c2cccc(c2NC3=C([C@@H]1c4ccc(cc4Cl)Cl)C(=O)CC(C3)(C)C)O	XND	(11r)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
+CCCCCCCCCC(=O)NCCCC(=O)O	XNG	4-(decanoylamino)butanoic acid
+C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)OC)C	XNH	(3~{r})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one
+CC(=O)N1c2ccccc2NC3=C([C@@H]1c4ccc(c(c4)Cl)OCc5ccccc5)C(=O)CC(C3)(C)C	XNI	(11s)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
+Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCNCC5	XNJ	n-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide
+c1ccc2c(c1)c3ccncc3n2C[C@@H](C4CCCCC4)O	XNL	(1~{r})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol
+c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)C(=O)N4CCN(CC4)CCO)Cl	XNM	(4-{[4-(4-chlorophenyl)pyrimidin-2-yl]amino}phenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone
+CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CC6(C5)CNC6	XNN	n~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-n~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@@H](O4)N6C=C(CC[C@H]6O5)C(=O)N)O)O)OP(=O)(O)O)N	XNP	tricyclic nadph
+COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	XNS	methyl ester octyl alpha-1o-d-mannopyrannoside
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC#C)N2C=CC=C(C2=O)NC(=O)c3cc(on3)C	XNV	ethyl (4r)-4-({(2s)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2h)-yl]pent-4-ynoyl}amino)-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+COc1ccc(cc1)C[C@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O	XNW	(1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid
+c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	XNY	[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-3~{h}-imidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC(=O)N1c2cccc(c2NC3=C([C@@H]1c4ccc(cc4Cl)OCc5ccccc5)C(=O)CC(C3)(C)C)O	XNZ	(11r)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
+c1ccc(cc1)C[C@H]2C[C@H](CCN2)C3=CC(=O)NO3	XO3	5-[(2r,4s)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one
+c1ccc2c(c1)N(c3ccccc3S2)NC(=O)CN4CCCCC4	XOC	n-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide
+c1cnc(nc1)c2ccc(c(c2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O	XOD	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol
+C/C(=C\C=O)/CC/C=C(\C)/C=O	XOG	(2e,6e)-2,6-dimethylocta-2,6-dienedial
+CCN(CC)CCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC	XOJ	1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea
+CC[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N)S	XOK	(2~{s})-2-azanyl-6-[[(6~{s})-6-sulfanyloctanoyl]amino]hexanoic acid
+Cc1ccc(cc1Cl)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4	XOM	(2s,4r)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one
+CN1[C@@H]2CC[C@H]1CC(C2)O[P@@](=O)(c3ccccc3)O	XOP	8-methyl-8-azabicyclo[3.2.1]octan-3-yl phenylphosphonate
+c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2)O	XOS	3-[(e)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CSCc4ccccc4)C(=O)O	XOU	(2r)-3-(benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid 
+c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)C3CC4(C3)COC(=O)N4	XOV	(2s,4r)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one
+Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	XOY	(r)-3-(benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
+c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4	XP0	5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+CN(C)c1ccc(cc1)C(=O)O	XP1	4-(dimethylamino)benzoic acid
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCC	XP4	1,2-dimyristoyl-sn-glycero-3-phosphate
+CCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC	XP5	(4s,7r)-7-(heptanoyloxy)-4-hydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide
+c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)CC[C@@H]3CCC(=O)N3	XP7	(5s)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCS)OP(=O)(O)O	XP8	o-phosphono-n-(8-sulfanyloctanoyl)-l-threonine
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCCS)OP(=O)(O)O	XP9	o-phosphono-n-(9-sulfanylnonanoyl)-l-threonine
+CCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCC	XPA	1,2-didecanoyl-sn-glycero-3-phosphate
+c1cc(cnc1)C(=O)CCCOc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	XPB	o6-[4-oxo-4-(3-pyridyl)butyl]-2'-deoxyguanosine-5'-monophosphate
+C1[C@@H]([C@H](CN1)N)C(=O)O	XPC	(3s,4r)-4-aminopyrrolidine-3-carboxylic acid
+c1cc2c(cc1C(=O)N3CCC(CC3)COc4ccc(cc4Cl)F)NC(=O)CO2	XPD	6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2h-1,4-benzoxazin-3(4h)-one
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	XPE	3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol
+CC(C)S(=O)(=O)N[C@H]1COC[C@H]1Oc2ccc(cc2)c3ccc(s3)C#N	XPF	n-{(3s,4s)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide
+CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O	XPG	7-[(1r,3r)-3-hydroxy-2-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid
+c1ccc(cc1)C[C@@H](N)P(=O)(O)O	XPH	[(1s)-1-amino-2-phenylethyl]phosphonic acid
+CNC[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O	XPJ	1-deoxy-1-(methylamino)-d-allitol
+C[C@@H]1C[C@@H](N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N)N	XPL	n~6~-[(3r,5r)-5-amino-3-methyl-d-prolyl]-l-lysine
+CCCCCCCCCCCCCCC(C(=O)O)C(=O)O	XPM	tetradecylpropanedioic acid
+C(=O)OP(=O)(O)O	XPO	formyl phosphate
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C	XPP	hydroxypyrrole-imidazole-pyrrole polyamide
+C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)OS(=O)(=O)O	XPR	(2s,3as,6r,7as)-6-(sulfooxy)octahydro-1h-indole-2-carboxylic acid
+CNC[C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O	XPS	6-deoxy-6-(methylamino)-d-galactitol
+CCCS(CCC)(CCC)Cl	XPT	1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane
+c1ccc(cc1)c2ccc3c(c2)occ3CC(=O)O	XPV	(6-phenyl-1-benzofuran-3-yl)acetic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC	XPX	(2r)-3-[(hydroxy{[(2r,3r,5s,6r)-3,4,5-trihydroxy-2,6-bis(alpha-d-mannopyranosyloxy)cyclohexyl]oxy}phosphoryl)oxy]propan e-1,2-diyl dihexadecanoate
+Cn1cc(c(n1)C(F)(F)F)NC(=O)c2cnn3c2nc(cc3)N[C@@H]4CCCC[C@@H]4N	XPY	5-{[(1r,2s)-2-aminocyclohexyl]amino}-n-[1-methyl-3-(trifluoromethyl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c2ccc(cc2[nH]n1)O	XQ0	3-methyl-1h-indazol-6-ol
+COc1cccc(c1)c2ccc3c(c2)occ3CC(=O)O	XQ1	[6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCNC)C)\C)OC)(NC(=O)O2)O	XQ4	(1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name)
+c1cc(cc(c1)OCC2CCC(CC2)(F)F)[C@@H](CCN)O	XQ7	(1r)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol
+CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3	XQ9	1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC(=O)C	XQA	udp-di-n-acetyl-alpha-bacillosamine
+[H]/N=C(/[C@H](C[C@@H](C=O)O)C(=O)O)\C(=O)O	XQB	2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid
+CC(C)(Cc1ccc(cc1)O)NC[C@@H](c2ccc(c(c2)O)O)O	XQC	4-[(1r)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N[C@@](C)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O	XQD	[(2~{r},3~{r},4~{s},5~{s},6~{r})-3-acetamido-5-[[(1~{s})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanyl-ethyl]amino]-6-methyl-4-oxidanyl-oxan-2-yl] [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CSc1c2c([nH]cn2)ncn1	XQG	6-methylsulfanyl-9h-purine
+COC(=O)Cc1cc(cc(c1)O)O	XQI	methyl 2-(3,5-dihydroxyphenyl)ethanoate
+Cc1cccc(c1)I	XQJ	1-iodo-3-methylbenzene
+Cc1c(c([nH]n1)c2ccno2)C(=O)OC	XQK	methyl 5-isoxazol-5-yl-3-methyl-1h-pyrazole-4-carboxylate
+Cc1ccc(cc1)I	XQM	1-iodo-4-methylbenzene
+CCCCCN1[C@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC	XQO	2-[(2s,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide
+Cn1c(nnn1)SCC2=C(N[C@H](OC2)[C@@](C(=O)O)(NC(=O)[C@@H](c3ccc(cc3)O)C(=O)O)OC)C(=O)O	XQP	(2r)-2-[(r)-carboxy{[(2r)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2h-1,3-oxazine-4-carboxylic acid
+CCC(=O)Nc1cccc(c1)Nc2nc3c(cccn3n2)c4ccccc4	XQV	n-{3-[(8-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl}propanamide
+CCN1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C=C(C1=O)c5ccc(cc5Cl)c6cncs6	XR1	6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1cccc2c1[nH+]c3c(cccc3n2)C(=O)NCC[NH2+]CC[NH2+]CCNC(=O)c4cccc5c4[nH+]c6c(cccc6n5)C	XR2	1-methyl-9-[12-(9-methylphenazin-10-ium-1-yl)-12-oxo-2,11-diaza-5,8-diazoniadodec-1-anoyl]phenazin-10-ium
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)CCOCCOCCOCCOCCOCCC(=O)N5CCC(CC5)NC(=O)c6ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(=O)C(C)(C)C)Cl)C	XR4	n,n'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide)
+CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cccc3)C)OCCOCCOCCOCCOc4ccc(cc4C5=CN(C(=O)c6c5cccc6)C)NS(=O)(=O)CC	XR7	n,n'-(oxybis{(ethane-2,1-diyl)oxyethane-2,1-diyloxy[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4,1-phenylene]})di(ethane-1-sulfonamide)
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN4CCCC4)NC5CNC5	XR8	5-[(azetidin-3-yl)amino]-2-methyl-n-[(1r)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide
+COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4	XRA	2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
+CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl	XRD	clobetasol propionate
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	XRF	1-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-l-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+[H]/N=C(\NC)/NC(=O)NC	XRG	1-methyl-3-(n-methylcarbamimidoyl)urea
+CCCCCN1[C@H]([C@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC	XRJ	2-[(2s,3r,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide
+c1c(cc(c2c1N=C(NC2=O)CSC3CCNCC3)F)NC4CCCC4	XRM	7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl)sulfanyl]methyl}quinazolin-4(3h)-one
+c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)CC#N	XRO	5-{2-[4-(cyanomethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1ccc(cc1)CSc2ncn(n2)c3ccccc3	XRP	3-{[(4-methylphenyl)methyl]sulfanyl}-1-phenyl-1h-1,2,4-triazole
+C[C@H](CCOc1nccn1C)N(C)C	XRS	(2r)-n,n-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine
+c1cc(ccc1n2cc(cn2)Cc3cc(nc4c3[nH]nn4)N)F	XRV	7-{[1-(4-fluorophenyl)-1h-pyrazol-4-yl]methyl}-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+C[C@H](CCOC(=O)N(C)C)N(C)C	XRX	3-(dimethylamino)butyl dimethylcarbamate
+c1ccc(cc1)C[C@H]2C[C@H]3C[C@H]2Oc4cccc(c4)Cn5cc(cn5)[C@H](CCN3)c6cc(nc7c6nn[nH]7)N	XS1	7-[(3r,4s,6s,10r)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)S[C@H]2[C@@H]([C@H]([C@@H](CO2)S[C@H]3[C@@H]([C@H]([C@@H](CO3)S[C@@H]4[C@H]([C@H]([C@H](CO4)S[C@H]5[C@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)O)O)O)O)O	XS2	methyl4,4ii,4iii,4iv-tetrathio-beta-d-xylopentoside
+CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)NCc3cn(nn3)C4CCN(CC4)Cc5ccccc5)c6cc(cc(c6)OC)OC	XS4	1-~{tert}-butyl-3-[6-(3,5-dimethoxyphenyl)-2-[[1-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]urea
+C(CCC(=O)NO)CCNCCCN	XS6	6-[(3-aminopropyl)amino]-n-hydroxyhexanamide
+B(CC[C@H](C(=O)O)NCCN)(O)O	XSA	(2r)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid
+c1ccc(cc1)Oc2cccc(c2)Cn3cc(cn3)Cc4cc(nc5c4nn[nH]5)N	XSD	7-({1-[(3-phenoxyphenyl)methyl]-1h-pyrazol-4-yl}methyl)-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+c1ccc(cc1)[C@@H](CCN[C@@H]2CCc3c2cccc3)c4cc(nc5c4nn[nH]5)N	XSG	7-[(1r)-3-{[(1r)-2,3-dihydro-1h-inden-1-yl]amino}-1-phenylpropyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+B(CC[C@H](C(=O)O)NCc1c[nH]cn1)(O)O	XSM	(2r)-4-borono-2-{[(1h-imidazol-4-yl)methyl]amino}butanoic acid
+C([C@@H](C(=O)N)N)C(=O)O	XSN	l-alpha-asparagine
+C(=O)[C@H](C(=O)O)OP(=O)(O)O	XSP	(2r)-3-oxo-2-(phosphonooxy)propanoic acid
+CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C(F)(F)F	XSS	1,1,1-trifluoro-2-methylpropan-2-yl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC7(CCC7)C(F)(F)F	XSV	1-(trifluoromethyl)cyclobutyl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC7C[C@H]8C[C@H]8C7	XSY	(1r,3r,5s)-bicyclo[3.1.0]hexan-3-yl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4	XT0	2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
+C[C@@H]1CC[C@]2([C@@H](CCCO2)C)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O	XT1	(2r)-3-[(2s,5r,6r,8s)-8-{(1r,2e)-3-[(2r,4a'r,5r,6's,8'r,8a's)-6'-{(1s,3s)-3-[(2s,3r,6r,11r)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3h,3'h-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid
+C[C@H]1CCCO[C@@]12CCC[C@H](O2)[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O	XT2	(2r)-2-hydroxy-3-[(2s,5r,6r,8s)-5-hydroxy-8-{(1r,2e)-3-[(2r,4a'r,5r,6's,8'r,8a's)-8'-hydroxy-6'-{(1s,3s)-1-hydroxy-3-[( 2s,6r,11s)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3h,3'h-spiro[furan-2,2'-pyrano[3,2-b]p yran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid
+c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCCC4	XT3	2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
+CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C	XT4	tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)C4CC4	XT5	5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@H]4CC[C@H](C4)O)NC5CNC5	XT7	5-[(azetidin-3-yl)amino]-n-[(1r)-1-{3-[5-({[(1s,3r)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccsc2)C(=O)O)C(=O)O)C	XT8	(2r,4s)-2-[(1r)-1-{[(2r)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CN1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)CN5CCC(CC5)CC(=O)O	XTA	(1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid
+CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4ccc(c(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)[N+](=O)[O-]	XTC	(4s,4as,5ar,12as)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
+c1cc(ccc1C(=O)c2c(csc2N)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cl	XTD	{2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone
+CC1=CN(C(=O)NC1=O)[C@@H]2C=C[C@@H]([C@H]([C@H]2F)O)COP(=O)(O)O	XTF	[(1r,4r,5s,6r)-5-fluoro-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O	XTG	4-nitrophenyl 6-thio-6-s-alpha-d-xylopyranosyl-beta-d-glucopyranoside
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@@H]([C@H](O2)COP(=O)(O)O)O	XTH	1-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione
+c1cc(cc(c1)F)COC(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO	XTJ	(3-fluorophenyl)methyl [(2s)-3-cyclopropyl-1-oxo-1-({(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate
+Cc1ccc(c2c1[nH]c(c2)C#N)OC[C@H](CNC(C)(C)C)O	XTK	4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1h-indole-2-carbonitrile
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](C=C2)COP(=O)(O)O)O	XTL	[(1s,4r,6r)-6-hydroxy-4-(thymin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+C1=NC2=C(C(=O)N=C(N2)N)NC1=O	XTN	2-amino-1,5-dihydropteridine-4,6-dione
+c1ccc(cc1)COC(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO	XTP	benzyl [(2s)-3-cyclopropyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](C=C2)COP(=O)(O)O)O	XTR	[(1r,4s,6s)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+c1nc2c(n1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O	XTS	9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-purine-2,6-dione
+c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4	XTV	2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
+c1ccc(c(c1)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4)Cl	XTW	2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol
+Cc1cc(c2c(c1)C(=O)NC(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	XTY	(1r)-1,4-anhydro-2-deoxy-1-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-8-yl)-5-o-phosphono-d-erythro-pentitol
+c1cc(ccc1NCC2=NC3=C(NC2)N=C(NC3=O)N)S(=O)(=O)Nc4nccs4	XTZ	4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-n-(1,3-thiazol-2-yl)benzenesulfonamide
+c1ccc2c(c1)-c3cccnc3NC2=O	XU1	benzo[c][1,8]naphthyridin-6(5h)-one
+c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3-c5ccccc5C(=O)N4	XU2	n-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(s4)Cl)S(=O)(=O)c5ccccc5Cl	XU3	(2s,4r)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+C[C@@H](c1ccccc1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	XU4	n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-{[(1s)-1-phenylethoxy]carbonyl}-l-leucinamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)C)S(=O)(=O)c5ccccc5Cl	XU5	(2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
+B(CCC(C(=O)O)N)(O)O	XU7	(2s)-2-amino-4-boronobutanoic acid
+C[Se][C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	XUA	2'-se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate)
+C[Se][C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O	XUG	2'-se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate)
+B(CC[C@H](C(=O)O)N)(O)O	XUJ	(2r)-2-amino-4-boronobutanoic acid
+C([C@H]([C@@H](C(=O)CO)O)O)O	XUL	d-xylulose
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)OCO3)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)OCC	XUM	diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)scn3)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)OCC	XUP	diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	XUS	diethyl [(4-{(2s,3r)-4-{[(4-aminophenyl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	XUV	diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate
+c1ccc(c(c1)Cc2ccc3cccnc3c2O)F	XV1	7-(2-fluorobenzyl)quinolin-8-ol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC	XV4	n-[(2s)-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O	XV6	[4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-d iyl] bis(methylene)]bis[n-2-thiazolylbenzamide]
+c1cc-2c(cc1S(=O)(=O)O)Cc3c2ccc(c3)S(=O)(=O)O	XV7	9h-fluorene-2,7-disulfonate
+c1cc(c(c(c1)Cl)c2ccc3c(c2)[nH]c(n3)O)OC(F)(F)F	XVD	6-[2-chloro-6-(trifluoromethoxy)phenyl]-1h-benzimidazol-2-ol
+c1ccc(cc1)C[C@@H](C(=O)CCl)NC(=O)OCc2ccccc2	XVE	phenylmethyl n-[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]carbamate
+CC(C)(C(=O)O)O/N=C(/c1c(sc(n1)N)Cl)\C(=O)N[C@@H](CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)c4cc(c(cc4C3=O)O)O)C=O	XVG	1-[(2s)-2-{[(2z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1h-pyrazole-3-carboxylic acid
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5	XVJ	diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	XVM	diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	XVP	diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2s)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
+CC[C@](C)(C(=O)CCCC[C@H]1C=CC(=O)O1)O	XVR	(5s)-5-[(6r)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5h)-one
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	XVS	diethyl [(4-{(2s,3r)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5	XVV	diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	XVY	diethyl [(4-{(2s,3r)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CCOC(=O)CCCC[C@@H](C(=O)O)N	XW1	(2s)-2-amino-7-ethoxy-7-oxoheptanoic acid
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	XW4	diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+c1cc(sc1c2cc(no2)[C@H]3[C@@H]4[C@H]([C@H]5[N@@]3CCC5)C(=O)N(C4=O)CCC[N+]6(CCCC6)CCO)Cl	XWG	(3as,4r,5s,8as,8br)-4-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-2-[3-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]propyl]-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizine-1,3-dione
+Cc1ccc(cc1NC(=O)C)NC(=O)c2ccc3c(c2)c(nn3C)c4ccc(cc4C)N	XWJ	n-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1h-indazole-5-carboxamide
+Cc1ccc(cc1NC(=O)c2ccc(cc2)C(=O)NC)NC(=O)c3ccc4c(c3)c(nn4C)c5ccc(cc5C)N	XWP	n~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1h-indazole-5-carbonyl]amino}-2-methylphenyl)-n~4~-methylbenzene-1,4-dicarboxamide
+c1ccc(cc1)N2CC[C@H](N[C@H]2O)O	XWS	(2r,4r)-1-phenylhexahydropyrimidine-2,4-diol
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3ccnc4)C5(CC5)[S@](=N)(=O)C	XWV	5-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(s-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline
+C[C@@H](c1ncc(cn1)F)Nc2nc(nc(n2)N3CCOCC3)Nc4cn(cn4)C	XWW	n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cccc4)C5(CC5)[S@](=N)(=O)C	XWY	(3r)-3-methyl-4-{6-[1-(s-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine
+c1cc(c(cc1NC(=O)CCl)S(=O)(=O)N2CCOCC2)Cl	XX0	2-chloro-n-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide
+c1[nH]c2c(n1)ncnc2NCCCC[C@@H](C(=O)O)N	XX1	n~6~-7h-purin-6-yl-l-lysine
+C1=CC(=O)[C](C=C1[N+](=O)[O-])O	XX2	1-keto,2-hydroxy,4-nitrobenzene, 1 electron oxidized
+C1=CC(=O)[C@@](C=C1[N+](=O)[O-])(O)OO	XX3	(1s)-1-hydroperoxy-1-hydroxy-2-keto-5-nitrocyclohexa-3,5-diene
+CN(C1CCCCC1)C(=O)CCN2Cc3cc(ccc3N=C2N)C(=O)c4ccccc4	XX4	3-(2-amino-6-benzoylquinazolin-3(4h)-yl)-n-cyclohexyl-n-methylpropanamide
+CC(C)C[C@@H](C(=O)O)N[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)C(=O)O	XX5	(s,s)-2-{1-carboxy-2-[3-(3,5-dichloro-benzyl)-3h-imidazol-4-yl]-ethylamino}-4-methyl-pentanoic acid
+c1ccc2c(c1)cc(c3c2cccc3)OC[C@@H](CNC(CO)CO)O	XX6	2-{[(2r)-2-hydroxy-3-(9-phenanthryloxy)propyl]amino}propane-1,3-diol
+c1ccc2c(c1)cc(c3c2cccc3)OC[C@H](CNC(CO)CO)O	XX7	2-{[(2s)-2-hydroxy-3-(9-phenanthryloxy)propyl]amino}propane-1,3-diol
+Cc1ncc(c(n1)N)Cc2cccc(c2)CO	XX8	{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol
+CC(C)(C)c1cc(ccc1O)N(Cc2ccccc2)C(=O)c3c(cc(cc3Cl)N(C)C)Cl	XX9	n-benzyl-n-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide
+C[C@H](C/C=C/C=C)[C@H]([C@@H](C(=O)O)NC)O	XXA	2,4,5-trideoxy-2-(methylamino)-4-[(2e)-penta-2,4-dien-1-yl]-l-xylonic acid
+CCCCn1c(ccn1)C(=O)O	XXB	1-butyl-1h-pyrazole-5-carboxylic acid
+c1ccc(cc1)CCCCCCC(=O)O	XXC	7-phenylheptanoic acid
+C(C[C@@H](CO)O)CO	XXD	(2s)-pentane-1,2,5-triol
+c1ccn(c1)c2ccnc(c2)C(=O)O	XXE	4-(1h-pyrrol-1-yl)pyridine-2-carboxylic acid
+C1=CC(=O)C(C=C1S(=O)(=O)O)(O)O	XXG	3,3-dihydroxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid
+c1cc(ccc1C=O)[N+](=O)[O-]	XXH	4-nitrobenzaldehyde
+c1ccc(cc1)S(=O)(=O)CCc2cc3c(nc2)N(C(=O)C(=C3N)C(=O)NCc4ccc(cc4F)F)O	XXJ	4-azanyl-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide
+c1cc2c3c(c(nc(n3)c4cc(cc(c4)O)N)N5CCOCC5)oc2nc1	XXK	3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol
+CCOC(=O)CN1c2ccccc2OCC1=O	XXL	ethyl (3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl)acetate
+C1[C@@]([C@H]([C@H](O1)O)O)(CO)O	XXM	3-c-(hydroxylmethyl)-alpha-d-erythrofuranose
+c1cc(oc1)c2cc(ccn2)C(=O)O	XXO	2-(furan-2-yl)pyridine-4-carboxylic acid
+C(=C/C(=O)C(=O)O)/C(=C\O)/[N+](=O)[O-]	XXP	2-keto,5-nitro,6-hydroxy-3,5-hexadienoic acid
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O	XXR	alpha-d-rhamnopyranose
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cn[nH]4)C5(CC5)[S@](=N)(=O)C	XXS	4-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(s-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1h-indazole
+C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1[C@H](C[C@@H]3O)OC(=O)C)C)OC(=O)C)C(=C)C(=O)O2	XXT	[(3as,5r,5as,6s,8s,8as,9s,9ar)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-6-yl] acetate
+C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(CC5)S(=O)(=O)N	XXV	1-{6-[(3r)-3-methylmorpholin-4-yl]-2-(1h-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O)O)N	XXX	(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside
+C[C@H]([C@@H](c1nc(c(n1CC(=O)O)[O-])Cc2cnc[nH]2)N)O	XXY	2-[(1r,2r)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1h-imidazol-5-ylmethyl)-1h-imidazol-5-olate
+c1cc2c(c(c1)F)C(=NC3(N2)CCN(CC3)C(=O)c4ccc(cc4)CN)N	XXZ	1-[4-(aminomethyl)benzoyl]-5'-fluoro-1'h-spiro[piperidine-4,2'-quinazolin]-4'-amine
+c1cc(ccc1C(=O)O)/N=N/c2cc(ccc2O)CCN	XY1	4-[(e)-[5-(2-azanylethyl)-2-oxidanyl-phenyl]diazenyl]benzoic acid
+CC(=O)N(C)CCN(C)c1ccc(c2c1non2)[N+](=O)[O-]	XY2	n,n'-dimethyl-n-(acetyl)-n'-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)ethylenediamine
+Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)N)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	XY3	5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1h-imidazole-2-carboxamide
+CC(C)NC(=O)Nc1ccccc1	XY4	n-phenyl-n'-propan-2-ylurea
+c1cc2c(cc1N)/N=N\c3cc(ccc3CC2)NCC=O	XY5	2-[[(5~{z})-8-azanyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-3-yl]amino]ethanal
+C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(O)O)O)F	XY7	1-[2-deoxy-5-o-(dihydroxyphosphanyl)-2-fluoro-beta-l-ribofuranosyl]pyrimidine-2,4(1h,3h)-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N	XYA	2-(6-amino-octahydro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O	XYB	4-o-beta-d-xylopyranosyl-beta-d-xylopyranose
+C1CCC(C1)C[C@@H](C(=O)O)N	XYC	(2~{s})-2-azanyl-3-cyclopentyl-propanoic acid
+Cc1ccc(c(c1)N)C	XYD	2,5-dimethylaniline
+[C@H]1([C@H]([C@@H](O[C@@H]([C@H]1O)F)[O-])O)O	XYF	5(r)-fluoro-beta-d-xylopyranose
+[H]/N=C(\C)/C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O	XYG	[(4z)-2-[(1z)-ethanimidoyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+[C@H]([C@@H](C(=O)NO)O)([C@H](C(=O)[O-])O)O	XYH	xylarohydroxamate
+CN1c2c(nc([nH]2)SCCC(=O)NS(=O)(=O)CCN3CCOCC3)C(=O)N(C1=O)C	XYJ	3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1h-purin-8-yl)sulfanyl]-n-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide
+C([C@@H](C([C@@H](CO)O)O)O)O	XYL	xylitol
+C(C(=O)O)S/C=C(/C(=O)O)\O	XYM	(2z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid
+C(C(=O)C(=O)O)SCC(=O)O	XYN	3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	XYP	beta-d-xylopyranose
+CC(=O)O[C@@H]1[C@@H]([C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	XYQ	(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate
+C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	XYS	alpha-d-xylopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O	XYT	cellobiose-6-phosphate
+CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)c3c(nc(s3)N4CCOCC4)c5cccc(c5)NS(=O)(=O)c6c(cccc6F)F	XYW	2,6-bis(fluoranyl)-n-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
+Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)C)Cl	XYY	(3s)-{4-chloro-3-[(n-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1h-1,2,3-benzotriazol-5-yl) propanoic acid
+C([C@@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O	XYZ	beta-d-xylofuranose
+COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F	XZ1	4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol
+CN(C)S(=O)(=O)c1cc(c(c2c1CN(C2=O)Cc3ccc(c(c3)Cl)F)O)O	XZ2	2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-n,n-dimethyl-1-oxo-2,3-dihydro-1h-isoindole-4-sulfonamide
+COc1ccc2c(n1)N(C(=O)C(=C2NCC(=O)OC)C(=O)NCc3ccc(cc3F)F)O	XZ4	methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-7-methoxy-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate
+C[C@H]([C@@H](c1ccc(cc1)Cl)C(=O)Nc2cc(ccc2Cl)[C@@H](CC(=O)O)C3CC3)C(F)(F)F	XZ7	runcaciguat
+CC1=C(C(=O)NN1)c2cn(c3c2cccc3)C(=O)C	XZ8	4-(1-acetyl-1h-indol-3-yl)-5-methyl-1,2-dihydro-3h-pyrazol-3-one
+C(=O)(NN)O	XZA	diazanecarboxylic acid
+CN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F	XZB	n-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4h,5h-thieno-3,2-c-pyridine-2-carboximidamide
+CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc-6ccnc6n(c5)COP(=O)(O)O)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C	XZD	phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester
+c1ccc(cc1)SC[C@@H](CCN2CCOCC2)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c4csc(n4)N5CCc6cccc(c6C5)C(=O)Nc7nc8ccccc8s7	XZM	n-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2r)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
+CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)OC)Cl	XZN	4-[(3,5-dichloro-4-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
+C1C[C@H]([C@@H](C1)N)C(=O)O	XZP	(1r,2r)-2-aminocyclopentane-1-carboxylic acid
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3cc(c(c(c3)F)C4CCN(CC4)C)F	XZS	n-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide
+c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl	XZV	4-(5-chlorofuran-2-carbonyl)-n-(cyclopropylmethyl)piperazine-1-carboxamide
+c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F)Cl	XZY	4-(5-chlorofuran-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
+CC1=CC(=O)Oc2c1cc(c(c2)O)Cl	XZZ	6-chloro-7-hydroxy-4-methyl-2h-chromen-2-one
+c1ccc(cc1)[C@@H](CO)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	Y	2'-deoxy-n6-(s)styrene oxide adenosine monophosphate
+C[C@H](CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O	Y00	dobutamine
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C	Y01	cholesterol hemisuccinate
+Cc1cc(c(c(c1)C)OCCNC(=O)[C@@H]([C@@H]([C@H]([C@@H](/C=C/C(C)(C)C)O)O)O)OC)C	Y02	(2r,3r,4s,5r,6e)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-n-[2-(2,4,6-trimethylphenoxy)ethyl]non-6-enamide
+c1ccc(c(c1)OCC(=O)Nc2cc(cc(c2)Cl)Cl)P(=O)(O)O	Y03	(2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+c1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)Cl	Y04	(2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+c1ccc(c(c1)OCC(=O)Nc2cccc(c2)Cl)P(=O)(O)O	Y06	(2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)P(=O)(O)O	Y07	[2-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethoxy)phenyl]phosphonic acid
+CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC[C@@H]1CCCN(C1)C(=O)C2CC2)OC)O)O)O	Y08	(e,2r,3r,4s,5r)-n-[[(3s)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide
+COc1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O	Y09	(2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+CCCCNC(=O)N1CCN(CC1)C(=O)c2ccco2	Y0A	n-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
+c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3	Y0D	n-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
+COc1ccc(c(c1)F)NC(=O)N2CCN(CC2)C(=O)c3ccco3	Y0G	n-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
+c1ccc2c(c1)nc(o2)NC(=O)N3CCN(CC3)C(=O)c4ccco4	Y0J	n-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
+Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N	Y0R	5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
+c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)I	Y0V	2-hydroxy-3,5-diiodo-4-(1h-pyrrol-1-yl)benzoic acid
+COc1c(ccc(c1)c2cc(c(cc2)/N=N/c3c(c4c(c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)N)O)OC)/N=N/c5c(c6c(c(cc(c6cc5)S(=O)(=O)O)S(=O)(=O)O)N)O	Y0X	6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(e)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid)
+COc1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3	Y0Y	4-(furan-2-carbonyl)-n-(4-methoxyphenyl)piperazine-1-carboxamide
+[Y+2]	Y1	yttrium ion
+CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC1Cc2ccccc2C1)OC)O)O)O	Y10	(e,2r,3r,4s,5r)-n-(2,3-dihydro-1h-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide
+CN1CCC(CC1)(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3	Y11	n-[(1s)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
+CC(=O)Oc1ccc(cc1OC(=O)C)\C=C\C(=O)NCCc2ccccc2	Y12	4-{(1e)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}-1,2-phenylene diacetate
+c1cc(ccc1CCNC(=O)\C=C\c2ccc(c(c2)O)O)O	Y13	(2e)-3-(3,4-dihydroxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]acrylamide
+c1ccc(cc1)C[N@]2CC[C@](C2)(C#N)NC(=O)[C@H](CC3CCCCC3)NC(=O)N4CCOCC4	Y14	n-[(1s)-2-{[(3s)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
+C[C@](COCc1ccccc1)(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3	Y15	n-[(1s)-2-{[(1r)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
+CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC(=O)N)OC)O)O)O	Y16	(e,2r,3r,4s,5r)-n-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide
+CN1C[C@@H](CC1=O)CCn2c3ccccc3c4c2CCNC4=O	Y17	5-{2-[(3r)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-1-one
+CN1C[C@H](CC1=O)Cn2c3ccccc3c4c2CCNC4=O	Y18	5-{[(3r)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-1-one
+CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O	Y19	1-deoxy-1-{[(5s)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-d-ribitol
+CC(C)NC(=O)N1CCN(CC1)C(=O)c2ccco2	Y1A	4-(furan-2-carbonyl)-n-(propan-2-yl)piperazine-1-carboxamide
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3F)F	Y1D	n-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
+c1ccc(cc1)c2c(c3ccc(cc3o2)Br)CC(=O)O	Y1G	(6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3	Y1J	n-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3=SCCC3	Y1M	n-[(3,4-dihydro-2h-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
+CC(C)(C(=O)O)Oc1ccc(cc1)CCOc2ccc(cc2)/N=N/c3ccccc3	Y1N	2-methyl-2-[4-[2-[4-[(e)-phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic acid
+COCCNC(=O)N1CCN(CC1)C(=O)c2ccco2	Y1P	4-(furan-2-carbonyl)-n-(2-methoxyethyl)piperazine-1-carboxamide
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F	Y1S	4-(furan-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
+C[C@H](C[C@@H](C(=O)O)N)CN	Y1V	(4r)-5-amino-l-leucine
+COc1ccc2c(c1)c(c(cn2)F)[C@H](CC3OCC(CO3)NCc4ccc5c(c4)OCCO5)O	Y1W	(1s)-2-[(2r,5s)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol
+Cc1ccc(s1)C(=O)OC[C@H]([C@H](CC(=O)O)N)O	Y1Y	3-amino-2,3-dideoxy-5-o-(5-methylthiophene-2-carbonyl)-d-erythro-pentonic acid
+Cc1nnc2n1nc(c3c2cccc3)c4ccc(c(c4)NS(=O)(=O)c5ccccc5Cl)N6CCOCC6	Y1Z	2-chloro-n-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide
+C[C@H]1COc2c3c(cc(c2N4CC[C@H](C4)C5(CC5)N)F)C=C(C(=O)N31)C(=O)O	Y21	(3s)-10-[(3r)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
+c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C(F)(F)F	Y22	6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid
+C[C@H](C[C@@H](C[C@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O	Y24	1,1',1'',1''',1''''-[(3r,5s,7s,9r)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one)
+C[C@H](C1CCC(CC1)C(=O)Nc2ccncc2)N	Y27	(r)-trans-4-(1-aminoethyl)-n-(4-pyridyl) cyclohexanecarboxamide
+c1ccc(cc1)COc2ccc(cc2)C[C@H](C(=O)O)NC(=O)C(=O)O	Y28	o-benzyl-n-(carboxycarbonyl)-d-tyrosine
+C(C(=O)O)[C@](CC(=O)OP(=O)(O)O)(C(=O)O)O	Y2A	(2s)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@H]3C[C@@H]3c4cccc(c4)F	Y2B	6-{[(3r,4r)-4-(2-{[(1s,2r)-2-(3-fluorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C=CC(=O)N1C[C@H]([C@@H](C1)OCc2ccc(cc2)C(F)(F)F)n3cc(nn3)c4cccnc4	Y2D	1-[(3r,4r)-3-[4-(pyridin-3-yl)-1h-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@@H](C)Cc3cccc(c3)F	Y2F	6-{[(3r,4r)-4-(2-{[(2s)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCCOC	Y2G	n-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
+COCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)Cl	Y2J	4-(5-chlorofuran-2-carbonyl)-n-(2-methoxyethyl)piperazine-1-carboxamide
+Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3	Y2M	n-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
+C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@@]3(C[C@H](c4c3ccc(c4)c5cnn(c5)CC(=O)NC)F)NC2=O	Y2P	2-[4-[(3'r,4s)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1s)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-n-methyl-acetamide
+Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F	Y2V	4-(5-methylfuran-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
+C(CC(=O)O)[C@H]([C@H](CC(=O)O)N)O	Y2Y	(3s,4r)-3-amino-4-hydroxyheptanedioic acid
+CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O	Y3	4-acetylamino-5-hydroxynaphthalene-2,7-disulfonic acid
+CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)OCc4ccc(cc4)Cl)C=O	Y30	3-{(1s)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1h-indole-2-carboxylic acid
+c1c(cncc1Br)C(=O)O	Y31	5-bromopyridine-3-carboxylic acid
+c1c2c(c(s1)C(=O)O)OCCO2	Y34	2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid
+[B-]1(Oc2ccc(cc2O1)C(=O)N3CCC(CC3)c4cccc(c4)CN)(c5cccc(c5)c6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)O	Y35	(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappao)phenyl]methanonato(2-)hydroxyborate(1-)
+CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC)C	Y36	n-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1h-indol-4-yl}ethanesulfonamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C[C@@H](C[C@H]2F)C(=O)O)O	Y37	(1r,4r)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid
+CC(C)[C@H](C(=O)O)N(CCNC(=O)c1ccccc1)S(=O)(=O)c2ccc(cc2)c3ccccc3	Y38	n-[2-(benzoylamino)ethyl]-n-(biphenyl-4-ylsulfonyl)-d-valine
+CCCCCCCCC[C@H]1C[C@@H]1C(=O)O	Y39	(1s,2s)-2-nonylcyclopropanecarboxylic acid
+c1ccc(cc1)C[C@@H]([C@H](CCl)O)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2	Y3A	n-[(benzyloxy)carbonyl]glycyl-n-[(2s,3r)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2C[C@H](CC2=O)C(=O)O)O	Y3D	(1r,3s)-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid
+C#CC1=CNC(=O)NC1=O	Y3G	5-ethynylpyrimidine-2,4(1h,3h)-dione
+c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)C(F)F)O)O)N	Y3J	5,5-difluoromethyl adenosine
+CC(=O)Nc1nc2ccc(cc2s1)Cl	Y3L	n-(5-chloranyl-1,3-benzothiazol-2-yl)ethanamide
+CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(CCCC3=N2)O)c4ccc(o4)Sc5[nH]c6ccccc6n5	Y3M	ethyl (9s)-9-[5-(1h-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2h-pyrrolo[3,4-b]quinoline-3-carboxylate
+C(=C(/C(=O)O)\O)\C(=O)O	Y3P	(~{z})-2-oxidanylbut-2-enedioic acid
+C[C@H]1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O)c3c(ccs3)F	Y3S	(2r)-4-(3-fluorothiophene-2-carbonyl)-n-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](Cc3ccc(cc3)O)N)O)O	Y3U	[(2~{r},3~{s},4~{r},5~{r})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
+C[C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn3C	Y3V	(2s)-n-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1h-pyrrole-2-carbonyl)piperazine-1-carboxamide
+C[C@H]1CN(CCN1C(=O)NCCOC)C(=O)c2cccs2	Y3Y	(2s)-n-(2-methoxyethyl)-2-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
+Cc1c(cccc1N)C(=O)N[C@H](C)c2cccc3c2cccc3	Y41	3-amino-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide
+c1cc(cnc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3	Y44	n-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
+c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NS(=O)(=O)c3ccccc3)N	Y46	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzenesulfonamide
+Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3	Y47	4-(5-methylfuran-2-carbonyl)-n-[(pyridin-3-yl)methyl]piperazine-1-carboxamide
+c1ccc(cc1)N2c3c(c(nc(n3)c4ccc(cc4)C(=O)O)C(=O)N)NC2=O	Y49	4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7h-purin-2-yl)benzoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2	Y4D	(1r,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@@H]3CC=C[C@@H](C3)C2	Y4J	(1r,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CN(C)S(=O)(=O)Nc1ccc(cc1)Cl	Y4L	((4-chlorophenyl)sulfamoyl))dimethylamine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@H]3CC[C@@H]2C3	Y4P	(1r,2s)-2-((s)-2-(((((1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3	Y4V	(1r,2s)-2-((s)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)N)OC)OC)C	Y50	e-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3C[C@H]2C=C3	Y51	(1r,2s)-2-((s)-2-(((((1s,2s,4s)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CO/C=C(\c1ccccc1CSc2nc3cc(ccc3s2)OC)/C(=O)OC	Y52	methyl (2e)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@@H]4CC[C@@H](C4)O)NC5CNC5	Y54	5-[(azetidin-3-yl)amino]-n-[(1r)-1-{3-[5-({[(1r,3s)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide
+c1cc(oc1)c2ccc3c(c2)C(=O)N(C(=O)C3)O	Y55	7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2h,4h)-dione
+CC(C)N(CCCC[C@@H](C(=O)O)N)CCc1ccccc1	Y57	n~6~-(2-phenylethyl)-n~6~-propan-2-yl-l-lysine
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(c(c5)F)C6CCN(CC6)C	Y5D	{1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C6CCN(CC6)C	Y5G	{1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile
+C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4coc(n4)c5ccc(s5)Cl	Y5H	3-[(3as,4r,5s,8as,8br)-4-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
+COc1ccc2c(c1)NC(=O)CN2c3c4c(cco4)nc(n3)Cl	Y5J	4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)Cl)CCC4	Y5L	4-(2-chloro-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+Cc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2	Y5M	7-methoxy-4-(2-methyl-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1h)-one
+C1C=CN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	Y5P	1-(5-o-phosphono-beta-d-ribofuranosyl)-1,4-dihydropyrimidine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2	Y5S	(1s,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+Cc1ccccc1C2=NC(=C(C(=O)N2)O)C(=O)NCCc3ccc(c(c3)OC)O	Y5V	5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
+CCn1c2c(c(ncn2)N[C@H]3CCN(C3)C(=O)C4CC4)nc1c5cnc(nc5)C	Y5Y	cyclopropyl[(3s)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9h-purin-6-yl]amino}pyrrolidin-1-yl]methanone
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CNC(=O)C)NC4CNC4	Y61	n-[(1r)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@@H]3CC=C[C@@H](C3)C2	Y64	(1s,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)C5=CC=CNC5=O	Y67	2-(benzotriazol-1-yl)-~{n}-[(3-chlorophenyl)methyl]-~{n}-[4-(2-oxidanylidene-1~{h}-pyridin-3-yl)phenyl]ethanamide
+CCOCCOCCOCCCCCCCCCCC=O	Y69	11-[2-(2-ethoxyethoxy)ethoxy]undecanal
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5c[nH]nc5	Y6A	2-(benzotriazol-1-yl)-~{n}-[4-(1~{h}-pyrazol-4-yl)phenyl]-~{n}-(thiophen-3-ylmethyl)ethanamide
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5cccnc5	Y6D	2-(benzotriazol-1-yl)-~{n}-(4-pyridin-3-ylphenyl)-~{n}-(thiophen-3-ylmethyl)ethanamide
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5c[nH]cn5	Y6G	2-(benzotriazol-1-yl)-~{n}-[4-(1~{h}-imidazol-4-yl)phenyl]-~{n}-(thiophen-3-ylmethyl)ethanamide
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)C5CC5	Y6J	~{n}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide
+c1cc2c(cc1O)NC(CC2)O	Y6M	(2r)-1,2,3,4-tetrahydroquinoline-2,7-diol
+Cc1cccc2c1[nH]c(c2c3c[nH]nc3)C(=O)O	Y6P	7-methyl-3-(1~{h}-pyrazol-4-yl)-1~{h}-indole-2-carboxylic acid
+c1cc(cc2c1cc([nH]2)C(=O)O)I	Y6S	6-iodanyl-1~{h}-indole-2-carboxylic acid
+c1cc(sc1)CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4	Y6V	~{n}-cyclopropyl-3-oxidanylidene-~{n}-(thiophen-2-ylmethyl)-4~{h}-1,4-benzoxazine-7-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CCC[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O	Y6W	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (s)-{3-[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]propyl}phosphonate
+Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)OCc3nnc(n3c4cccnc4)SC5CCCC5	Y6Y	3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine
+c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O	Y70	s-pomalidomide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3C[C@H]2C=C3	Y71	(1s,2s)-2-((s)-2-(((((1s,2s,4s)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+C/C(=C/COP(=O)(O)O)/CCN=[N]=N	Y77	[(~{z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate
+CCCC/C(=C\COP(=O)(O)OP(=O)(O)O)/C	Y7D	(2z)-3-methylhept-2-en-1-yl trihydrogen diphosphate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@H]3CC[C@@H]2C3	Y7G	(1s,2s)-2-((s)-2-(((((1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3	Y7M	(1s,2s)-2-((s)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN	Y7N	5-[(e)-[(2s)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C[C@@H](C[C@@H]2C)C(=O)O)O	Y7S	(1~{r},3~{s},4~{r})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid
+c1cc(cc(c1)I)F	Y7V	1-fluoranyl-3-iodanyl-benzene
+COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)N(C(=O)N2)C(=O)OC	Y7Y	methyl (3as,4s,6ar)-4-(5-methoxy-5-oxopentyl)-2-oxohexahydro-1h-thieno[3,4-d]imidazole-1-carboxylate
+COc1ccc(cc1)/C=C(\c2ccccc2)/C(=O)N3CC(=O)Nc4c3cccc4	Y80	4-[(2e)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1h)-one
+c1ccc(cc1)c2cc(cnc2)C(=O)N3CC(=O)Nc4c3cccc4	Y81	4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1h)-one
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSC[C@H](C(=O)NCc3cccnc3)Nc4ccccc4	Y83	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
+c1ccc2c(c1)cccc2F	Y84	1-fluoranylnaphthalene
+c1cc(ccc1F)Br	Y87	1-bromanyl-4-fluoranyl-benzene
+CC1=NCCc2c1n(c3c2cc(cc3)OC)Cc4ccc(cc4)Cl	Y8A	9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3h-beta-carboline
+c1cc(ccc1F)I	Y8D	1-fluoranyl-4-iodanyl-benzene
+CCCCc1cccs1	Y8G	2-butylthiophene
+c1cc(c(cc1Br)Br)O	Y8I	2,4-bis(bromanyl)phenol
+CCCCc1cccnc1	Y8J	3-butylpyridine
+CC1=C(SC(=O)N1C)c2ccnc(n2)N=C3CC=C(C=C3)N4CCNCC4	Y8L	3,4-dimethyl-5-(2-{[(1z)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]amino}pyrimidin-4-yl)-1,3-thiazol-2(3h)-one
+c1ccc(cc1)CCCc2ccc(cc2)N	Y8M	4-(3-phenylpropyl)aniline
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CC(CC[C@@H]2C)C(=O)O)O	Y8P	(3~{s},4~{s})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3CC=C[C@@H](C3)C2	Y8S	(1r,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3CC=C[C@@H](C3)C2	Y8V	(1s,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2	Y8Y	(1r,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2	Y91	(1s,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)NCC=C	Y94	2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)NC(=O)N	Y95	5-[(carbamoylcarbamoyl)amino]-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)/C=N/O	Y96	5-[(e)-(hydroxyimino)methyl]-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@@H]4CCOC4)NC5CNC5	Y97	5-(azetidin-3-ylamino)-2-methyl-~{n}-[(1~{r})-1-[3-[5-[[[(3~{r})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide
+Cc1ccc(cc1)COc2cccc(c2)CNc3[nH]nnn3	Y9A	~{n}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{h}-1,2,3,4-tetrazol-5-amine
+c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c(nsn3)O)F)F	Y9B	4-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O	Y9Y	paranitrophenyl-alpha-l-galactopyranoside
+CC(=O)NCCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O	Y9Z	5'-o-[(s)-{[(s)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+CCCC[C@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YA1	(1r,3r,7e,17beta)-17-[(2r,3r)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CCCC[C@H](CC(CC)(CC)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YA2	(1r,3r,7e,17beta)-17-[(2r,3r)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCc4cn(nn4)CCCCNC(=O)CNc5cccc6c5C(=O)N(C6=O)C7CCC(=O)NC7=O)c8ccc(cc8)Cl)C	YA3	2-((s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-n-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1h-1,2,3-triazol-4-yl)methyl)acetamide
+C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)S)O)O	YA4	[(2~{r},3~{s},4~{s})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid
+C[C@@H]1CN(C[C@@H](O1)C)c2cc(ccn2)c3cc(c4c(c3)C(=O)NC4)c5cc(c(nc5)OC)NS(=O)(=O)C	YA7	n-(5-(6-(2-((2s,6r)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide
+c1ccc(cc1)C(=O)/C=C\CCC(=O)O	YAC	(4z)-6-oxo-6-phenylhex-4-enoic acid
+c1ccc(cc1)COC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)NCCc4ccncc4	YAD	(phenylmethyl) (2~{s})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{h}-pyrimidin-2-yl]pyrrolidine-1-carboxylate
+COc1cccc(c1)c2ncc(s2)CN3CCC(CC3)(CO)O	YAG	4-(hydroxymethyl)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-ol
+CN1C[C@@H](C[C@H]1CO)NC(=O)Cc2ccc3c(c2)NC(=O)CO3	YAJ	~{n}-[(3~{r},5~{s})-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-2-(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)ethanamide
+CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(=N2)C3=C([C@@H]4CCC[C@@H]4N(C3=O)Cc5ccc(cc5)F)O	YAK	n-{3-[(4ar,7as)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1h-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C	YAM	n-methyl-n-{3-[({2-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide
+c1ccc(c(c1)Cl)Cl	YAN	1,2-dichlorobenzene
+c1cc(ccc1C[C@@H](C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O	YAP	5'-o-[(r)-{[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine
+CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H]([C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	YAS	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{s},3~{r},4~{s},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate
+c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)O)Cl	YAU	n-{2-chloro-5-[(3s,4r)-1-[(3r)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCOCCOCCNC(=O)c4cccc(c4)C#Cc5c(c6cc(ccc6o5)C)CC(=O)O)CC(=O)O	YAV	2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid
+c1cc(c(cc1/C=C/C(=O)O)Cl)O	YAZ	(2e)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid
+[Yb+3]	YB	ytterbium (iii) ion
+[Yb+2]	YB2	ytterbium (ii) ion
+CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5NC(=O)CC)N6CCN(CC6)C)CC	YB4	~{n}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
+Cc1cc([nH]c1C(=O)N[C@@H](CN)c2ncc(s2)CO)c3ccc(cn3)C(F)(F)F	YB7	~{n}-[(1~{s})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1~{h}-pyrrole-2-carboxamide
+c1cc(c(cc1c2ccc([nH]2)C(=O)N[C@@H](CN)c3nc(cs3)CO)F)C(F)(F)F	YBA	~{n}-[(1~{s})-2-azanyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoranyl-4-(trifluoromethyl)phenyl]-1~{h}-pyrrole-2-carboxamide
+c1cc(c(cc1c2ccc([nH]2)C(=O)N[C@H](CN)c3ncc(s3)CO)F)Cl	YBD	~{n}-[(1~{r})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{h}-pyrrole-2-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC	YBG	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol
+c1ccc2c(c1)ncc(n2)Oc3ccc(cc3)C(=O)NCCCC[C@@H](c4cccs4)C(=O)N[C@@H](CC(=O)O)C=O	YBH	4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-butyric acid
+COc1cccc(c1)COC(=O)c2c(c3ccccc3s2)OC4CCNCC4	YBN	3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate
+c1ccc(cc1)CC2(CCN(CC2)C(=O)c3cccnc3c4ccncc4)O	YBS	[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone
+C1C[O@@H][Y]234[N]1(CC[O@@H]2)C(C[OH]3)(C[O@@H]4)CO	YBT	bis-(2-hydroxyethyl)amino-tris(hydroxymethyl)methane yttrium
+c1cc(c(cc1C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I)O	YBY	n-{[(1s)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-l-glutamic acid
+c1ccc(cc1)Cn2c3ccccc3c(n2)c4ccc(o4)CO	YC1	[5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I	YC2	n-{[(1s)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-l-glutamic acid
+c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O	YC8	3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(ccc2CF)C(=O)O)O	YCD	(4~{r})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid
+[H]/N=C(\N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/O)/N)/C)/NO	YCF	(2e)-n-hydroxy-2-[1-(4-{[(4-{(1e)-1-[2-(n'-hydroxycarbamimidoyl)hydrazinylidene]ethyl}phenyl)carbamoyl]amino}phenyl)ethylidene]hydrazinecarboximidamide
+Cc1ccccc1C2=NN(C(C2)(C)C)C(=O)c3ccncc3	YCG	[5,5-dimethyl-3-(2-methylphenyl)-4~{h}-pyrazol-1-yl]-pyridin-4-yl-methanone
+Cc1ccc(c(c1)C(=O)N2CCC(CC2)(Cc3ccccc3)O)c4ccncc4	YCJ	(5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone
+[H]/N=C(/CCl)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1C(=O)O	YCL	2-{[(2s)-1-amino-5-{[(1z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid
+C([C@@H](C(=O)O)N)SCC(=O)N	YCM	s-(2-amino-2-oxoethyl)-l-cysteine
+C1CNCCNCCNCCN1	YCN	1,4,7,10-tetraazacyclododecane
+c1ccc2c(c1)N=C3C(=CN(C(=O)N3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O2	YCO	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-pyrimido[5,4-b][1,4]benzoxazin-2(3h)-one
+C1CCN[C@@H](C1)C(=O)O	YCP	(2s)-piperidine-2-carboxylic acid
+C[C@H](C(=O)N)Oc1ccc(cc1)Br	YCS	(2~{r})-2-(4-bromanylphenoxy)propanamide
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)OC	YCU	1-[5-(2-methoxyethyl)-4-methyl-thiophen-2-yl]sulfonyl-3-[4-methoxy-6-(methylcarbamoylamino)pyridin-2-yl]urea
+CN(C)C(=O)COc1c(cc(cc1OC)c2cccc3c2cn[nH]3)C=O	YCV	2-[4-(1~{h}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{n},~{n}-dimethyl-ethanamide
+COc1ccc(cc1)S(=O)(=O)Nc2ccccc2	YCY	4-methoxy-~{n}-phenyl-benzenesulfonamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl	YD1	6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{h}-pyrimidine-2,4-dione
+Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@H]4CCNC[C@H]4OCC5CCS(=O)(=O)CC5	YD3	8-[[(3r,4r)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1h-quinolin-2-one
+Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4CCNC[C@H]4OCC5CCS(=O)(=O)CC5	YD4	4-({[(3r,4r)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione
+CC(C)OC1CN(C1)C(=O)N[C@@H]2CCCCc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C	YD7	~{n}-[(5~{r})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{h}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide
+Cc1c(c([nH]c1c2[nH]c3ccc(cc3n2)N4CCN(CC4)C)C)C(=O)C	YD8	1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-pyrrol-3-yl]ethanone
+CC(C)(C)n1cc(nn1)C(=O)N[C@@H]2CCN(Cc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C)C6COC6	YDA	1-~{tert}-butyl-~{n}-[(5~{r})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide
+CCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	YDD	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5s)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate
+CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N	YDI	5-[4-(2-dimethylaminoethyloxy)phenyl]-2-ureido-thiophene-3-carboxamide
+c1cc(cc(c1)F)c2cc(c(s2)C(=O)N[C@H]3CCCNC3)NC(=O)N	YDJ	5-(3-fluorophenyl)-n-[(3s)-3-piperidyl]-3-ureido-thiophene-2-carboxamide
+c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3	YDK	2-(carbamoylamino)-5-phenyl-n-[(3s)-piperidin-3-yl]thiophene-3-carboxamide
+CC(=CCN([C@H]1CNC[C@@H]1N(CC=C(C)C)S(=O)(=O)c2ccc(cc2)C(=O)N)S(=O)(=O)c3ccc(cc3)C(=O)N)C	YDP	(3s,4s),-3,4-bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)SC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O	YDR	6-s-alpha-d-mannopyranosyl-6-thio-alpha-d-mannopyranose
+C[C@@](CS(=O)(=O)C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(n3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O	YDY	(2s)-n-[(6as,7r,9as)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5h-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide
+C[n+]1cn(c2c1c(nc(n2)N)O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)OC	YDZ	[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O	YE1	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-4-({3-[(2-{[(3,5-dihydroxyphenyl)acetyl]amino}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS/C(=C/c4cc(cc(c4)O)O)/O)O	YE2	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-4-[[3-[2-[(~{e})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+CN1C=C(C(=O)c2c1ccc(c2)CN3CCOCC3)C(=O)NCc4ccc(cc4)Cl	YE4	n-(4-chlorobenzyl)-1-methyl-6-(morpholinomethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
+CCOc1ccc(cc1c2cccc(c2)c3n[nH]nn3)C(=O)C	YE5	1-[4-ethoxy-3-[3-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone
+c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl	YE6	5-(2-chlorophenyl)furan-2-carbohydrazide
+c1ccc2c(c1)ccn3c2nc(c3)C(=O)NN	YE7	imidazo[2,1-a]isoquinoline-2-carbohydrazide
+CC[C@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc3cn(c4c3cccc4)OC)CCCCCC(CC)(O)O	YED	(3s,6s,9s,15ar)-9-[(2s)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1h-indol-3-yl)methyl]octahydro-2h-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3h,12h)-tetrone
+C1CCC(C1)O	YEG	cyclopentanol
+CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4	YEJ	8-[[(3r,4r)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1h-1,7-naphthyridin-2-one
+CCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C	YEM	n-{(1s)-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]pentyl}-1-methylazetidine-3-carboxamide
+CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N	YEN	n-{(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-alpha-glutamyl-l-aspartamide
+C(CO)C(CCO)C(CO)(CO)CO	YES	3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol
+Cc1cc2cc(ccc2o1)/N=C(/NC#N)\N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4	YET	1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine
+CCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H](C)c4c([nH]c5c4cc(cc5)O)C	YEV	(2r)-2-(5-hydroxy-2-methyl-1h-indol-3-yl)-n-{(1s)-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]pentyl}propanamide
+CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccc[nH]4	YEX	5-methyl-8-(1h-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
+c1cc([nH]c1)c2ccc3c(c2)OCCO3	YEY	2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1h-pyrrole
+Cc1cnc(nc1N)C	YF1	2,5-dimethylpyrimidin-4-amine
+CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)c5cn(c6c5C=CNC6=O)C	YF2	n-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-3-yl)-1h-indol-4-yl}ethanesulfonamide
+Cc1ncc(c(n1)N)CNC(C)CS	YF3	2-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}propane-1-thiol
+CCN(C)Cc1cnc(nc1N)C	YF4	5-{[ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine
+CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CCNCC6)C	YF6	n-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1h-indol-4-yl)ethanesulfonamide
+Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4cccc(c4)F)P(=O)(O)O	YF7	[(1s)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid
+CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3F)C(=O)N(C=N4)[C@H](c5ccccc5)C(=O)Nc6nccs6	YFA	(2r)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4h)-yl}-2-phenyl-n-(1,3-thiazol-2-yl)acetamide
+CC(=CCC/C(=C/Cc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)/C)C	YFB	amorfrutin b
+CCCCCc1cc(c(c(c1C(=O)O)O)CC=C(C)C)OC	YFD	amorfrutin 2
+CC(=CCc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)C	YFE	amorfrutin 1
+[H]/N=C(/CF)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1C(=O)O	YFF	2-{[(2s)-1-amino-5-{[(1z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid
+c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)NC4CCCC4	YFG	7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3h)-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC	YFP	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol
+CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC)c2cnco2)N	YFS	n-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-d-leucinamide
+CC(C)c1nnc(s1)c2cccc(c2)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N	YFV	5-[(4-aminopiperidin-1-yl)methyl]-n-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
+CC(C)[C@H]1CCCN[C@H]1C(=O)Nc2ccc(c(c2)OC)c3cnco3	YFY	(2r,3r)-n-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide
+Cc1c(n2c(n1)N(c3c(ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C2=O)C)CC[C@H](C(=O)OC)NC(=O)OC	YG	wybutosine
+CC(=O)Nc1ccc2c(c1)OCc3cc(nn3C2)c4ccccc4C#CCCCO	YG1	n-{(11s)-2-[2-(5-hydroxypent-1-yn-1-yl)phenyl]-4h,10h-pyrazolo[5,1-c][1,4]benzoxazepin-7-yl}acetamide
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CNc6c5ncnc6N)OC)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@H](O7)N8C=CC(=O)NC8=O)O)O)O)O	YG4	[(2~{r},3~{r},4~{r},5~{r})-5-(6-azanyl-7,8-dihydropurin-9-yl)-2-[[[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-methoxy-oxolan-3-yl] [(2~{r},3~{s},4~{r},5~{s})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N	YG7	5-{4-[4-(5-cyano-1h-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide
+c1ccc(cc1)CCSc2cnn[nH]2	YGG	5-[(2-phenylethyl)sulfanyl]-1h-1,2,3-triazole
+c1ccc(cc1)CCOc2ccc(cc2)O	YGJ	4-(2-phenylethoxy)phenol
+c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N	YGL	2-amino-5,6-diphenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+C=CCCc1ccccc1	YGM	(but-3-en-1-yl)benzene
+CC1=CC(=C(C(=O)N1)C)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	YGP	5'-o-[(r)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine
+CC(=C)Cc1ccccc1	YGS	(2-methylprop-2-en-1-yl)benzene
+CSc1ccccc1Cl	YGV	1-chloro-2-(methylsulfanyl)benzene
+C[C@@H]([C@@H]1C/C=C\C(=O)N[C@H](C(=O)NCC(C(=O)O[C@H](C(=O)O1)CC(C)C)(C)C)Cc2ccc(c(c2)Cl)OC)[C@@H]3[C@H](O3)c4ccccc4	YGY	cryptophycin 52
+[OH2][Y+2]	YH	yttrium ion, 1 water coordinated
+c1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N	YH1	2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6h-purin-6-one
+c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)C#N	YH2	4-{[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]methyl}benzonitrile
+Cc1cccc(c1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N	YH3	2-amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6h-purin-6-one
+Cc1ccccc1C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N	YH4	2-amino-8-{[2-(2-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6h-purin-6-one
+COc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N	YH5	2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6h-purin-6-one
+Cc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N	YH6	2-amino-8-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6h-purin-6-one
+C1=NC2=C(NC(=S)N=C2N1)N	YH7	6-amino-1,9-dihydro-2h-purine-2-thione
+B([C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@@H]3CCCN3C)(O)O	YHD	n-[(1r)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-l-prolinamide
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)OCc3ccccc3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO)C	YHI	benzyl (1r,2s,5s)-2-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
+c1ccc(cc1)COC(=O)N2C[C@@H]3CCCC3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO	YHJ	benzyl (1s,3ar,6as)-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1h)-carboxylate
+C1[C@H]([C@H]([C@H]([C@H]1O)O)O)N	YHO	(1s,2s,3r,4r)-4-aminocyclopentane-1,2,3-triol
+CCN1c2c(c(nn2c3ccccc3)CN)[C@@H]([C@@H](C1=O)NC(=O)c4cccc(c4)C(F)(F)F)c5ccc(cc5)F	YHP	n-[(4s,5s)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide
+Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CC[C@@H](C4)N(C)S(=O)(=O)C)F	YHV	4-fluoro-n-[(1r,3s)-3-{(3s)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1h-indole-2-carboxamide
+c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-]	YHX	4-nitroquinoline 1-oxide
+Cc1ccc(c2c1[nH]c(c2)C(=O)Nc3cccc(c3)N4CCC(CC4)N(C)C)F	YHY	n-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1h-indole-2-carboxamide
+COc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl	YI0	4-chloro-6-[5-(4-methoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
+c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2ccc(cc2)CO[NH3+]	YI1	[4-[3-(difluoro-phosphono-methyl)phenyl]phenyl]methoxyazanium
+CCC(CC)(CS[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O	YI2	(1r,2e,3r,5z,7e)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol
+CCCC[C@@H]\1CC[C@]2([C@H](/C1=C/C=C3C[C@H](C[C@@H](C3)O)O)CC[C@@H]2[C@H](C)CCCC(C)(C)O)C	YI3	(1r,3r,7e,9beta,17beta)-9-butyl-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CC[C@H](/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)CC=C)C	YI4	(1r,2z,3r,5e,7e,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol
+COc1ccc(cc1OC)c2c(nns2)c3cc(c(cc3O)O)Cl	YI5	4-chloro-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
+CCOc1ccc(cc1)CC(=O)O	YI6	2-(4-ethoxyphenyl)ethanoic acid
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCCN2C(=O)CCC3CCCC3	YIC	(2s)-2-[[(2s)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
+c1cc(ccc1Cc2[n-]nnn2)Cl	YIE	5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
+c1cc(c(cc1OCc2n[n-]nn2)Cl)Cl	YIH	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene
+c1ccc2c(c1)C3=C([C@@H](N4C(=N3)NC=N4)c5ccc(cc5)Br)[C@H](O2)c6ccc(cc6)Br	YIN	(6r,7s)-6,7-bis(4-bromophenyl)-7,11-dihydro-6h-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O	YIO	1-thio-beta-d-galactopyranose
+c1cc(cc(c1)Cl)OCc2n[n-]nn2	YIP	5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene
+C/C(=N\NC(=N)N)/c1ccc2c(c1)cc([nH]2)C(=O)Nc3ccc4cc[nH]c4c3	YIQ	(e)-5-(1-(2-carbamimidoylhydrazono)ethyl)-n-(1h-indol-6-yl)-1h-indole-2-carboxamide
+[H]/N=C(\N)/N/N=C/1\CCCc2c1ccc(c2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-]	YIR	(e)-n-(5-(2-carbamimidoylhydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)-7-nitro-1h-indole-2-carboxamide
+CC(C)(C)c1cc(n(n1)c2ccc(c(c2)Cl)O)NC(=O)NCc3ccccc3Sc4ccc5nnc(n5c4)c6ccccc6SCCO	YIS	1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1h-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea
+CCC/C(=N\NC(=N)N)/c1ccc(cc1)NC(=O)c2cc3cc(ccc3[nH]2)OC	YIT	n-{4-[(1e)-n-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1h-indole-2-carboxamide
+CCCCNC=O	YIV	n-butylformamide
+CC(C)c1nnc2n1cc(cc2)Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C	YIW	1-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea
+CCNC(=O)NCc1ccccc1Sc2ccc3nnc(n3c2)C(C)C	YIX	1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea
+CC(C)(C)C1=C/C(=N\C(=O)Nc2ccc(cc2)Oc3cccnc3)/N(N1)c4cccc(c4)F	YIY	(1e)-1-[5-tert-butyl-2-(3-fluorophenyl)-1h-pyrazol-3-ylidene]-3-(4-pyridin-3-yloxyphenyl)urea
+Cc1cccc2c1[nH]c(c2)C(=O)NC3CCC(CC3)NC(=O)CCN	YJ1	n-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1h-indole-2-carboxamide
+c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)Br)C(=O)NC5(CC5)C=N)Cl	YJ2	(2s,4r)-1-[1-(4-bromophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4c3ccc(c4)OC	YJ4	4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+Cc1c2c(nc(nc2on1)C)N3CC(=O)Nc4c3ccc(c4)OC	YJ7	4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)I)C(=O)NC5(CC5)C=N)Cl	YJ8	(2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
+c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)C(F)(F)F)C(=O)NC5(CC5)C=N)Cl	YJ9	(2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
+CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO	YJA	2-[5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1h-pyrazol-3-yl]-n-(3-fluorophenyl)ethanamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)Cl)S(=O)(=O)c5ccccc5Cl	YJC	(4r)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-n-{1-[(e)-iminomethyl]cyclopropyl}-l-prolinamide
+CC(C)Oc1nc2ccccc2n1c3ccc(cc3)O	YJD	4-(2-propan-2-yloxybenzimidazol-1-yl)phenol
+Cc1ccc(cc1S(=O)(=O)NCCc2ccccn2)NC(=O)CN3C(=O)C(=CC=N3)Cl	YJG	2-(5-chloro-6-oxopyridazin-1(6h)-yl)-n-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide
+Cc1cc(cc(c1O)C#N)c2cn(c3c2C(=O)N(C=N3)C)CC(=O)Nc4cc(ncc4Cl)N5CCOCC5	YJJ	n-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O	YJM	2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose
+C[C@H]1COCCN1c2cc(c(cn2)Cl)NC(=O)Cn3cc(c4c3N=CN(C4=O)C)c5cc(c(c(c5)Cl)O)C(=O)N	YJS	3-chloro-5-{7-[2-({5-chloro-2-[(3s)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide
+Cc1c(c(no1)c2ccc(cc2O)O)c3ccccc3	YJW	4-(5-methyl-4-phenylisoxazol-3-yl)benzene-1,3-diol
+c1ccc2c(c1)C3=C(CCCN3C2=O)c4[nH]c5cnccc5n4	YJX	1-(3h-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2h)-one
+CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4c(cccc4F)C(F)(F)F)C(=O)N)OC	YK1	4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
+CCN1CCN(CC1)C(=O)c2ccc(nc2)Nc3ncc(c(n3)c4ccc5c(c4)sc(n5)N(C)C)F	YK2	[6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone
+CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4Br)C(=O)N)OC	YK4	4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
+CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4)C(=O)N)OC	YK7	4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
+CC(C)CCCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O	YK8	20alpha-hydroxy-20-(5-methylhexyl)cholesterol
+c1ccc2c(c1)-c3c(cccc3C2=O)c4[nH]c5ccncc5n4	YK9	4-(1h-imidazo[4,5-c]pyridin-2-yl)fluoren-9-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F	YKA	(1r,2s)-2-((s)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)CCC(=O)N)c4[nH]c5cnccc5n4	YKB	n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl]-succinamide
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccncc4)c5[nH]c6cnccc6n5	YKC	n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl-isonicotinamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F	YKD	(1s,2s)-2-((s)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid
+c1cc(c2cccnc2c1)C(=O)NC3=C4C=CC=CC4=C5C3=CC=CC5c6[nH]c7cnccc7n6	YKE	n-[(4r)-4-(3h-imidazo[4,5-c]pyridin-2-yl)-4h-fluoren-9-yl]quinoline-5-carboxamide
+Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O	YKG	[(5-bromo-7-methyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7cnccc7n6	YKI	1-h-pyrrolo[2,3-b]pyridine-4-carboxylic acid [4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl]-amide
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc(c4)N)c5[nH]c6cnccc6n5	YKJ	2-amino-n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)--9h-fluoren-9-yl]-isonicotinamide
+C[C@@H](C1CCC(CC1)(F)F)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YKM	(1r,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+Cc1ccnc(n1)SC(c2nc3ccccc3o2)(F)F	YKN	2-[difluoro-[(4-methyl-pyrimidinyl)-thio]methyl]-benzoxazole
+C[C@@H](C1CCC(CC1)(F)F)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YKP	(1s,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O)CO	YKR	2-amino-4-o-benzyl-2-deoxy-alpha-d-glucopyranose
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O[C@@H](Cc2ccccc2)C3CCC(CC3)(F)F	YKS	(1r,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O[C@@H](Cc2ccccc2)C3CCC(CC3)(F)F	YKV	(1s,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2F	YKY	(1r,2s)-2-((s)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid
+c1cc(ccc1c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O)C4CC4	YL2	({[6-(4-cyclopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)
+Cc1ccc(cc1)c2cc3c(ncnc3s2)NCP(=O)(O)O	YL3	({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](c4ccc5c(c4)CCO5)P(=O)(O)O	YL4	[(r)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O	YL5	[(1r)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid
+Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O	YL6	[(1r)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2F	YL7	(1s,2s)-2-((s)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid
+C#CCOC(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	YLA	 (s)-2-amino-6-(((prop-2-yn-1-yloxy)carbonyl)amino)hexanoic (((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)anhydride
+CCCC(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	YLB	5'-o-({[(2r)-2-amino-6-(butanoylamino)hexanoyl]oxy}phosphinato)adenosine
+C/C=C/C(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	YLC	5'-o-[({(2r)-2-amino-6-[(2e)-but-2-enoylamino]hexanoyl}oxy)phosphinato]adenosine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)F	YLD	(1r,2s)-2-((s)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+C[C@@H]1c2ccccc2CCN1	YLG	(1r)-1-methyl-1,2,3,4-tetrahydroisoquinoline
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)F	YLJ	(1s,2s)-2-((s)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O	YLL	(1r,2s,3s,4s,5r,6r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccc(cc2)F	YLM	(1r,2s)-2-((s)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4	YLO	1-[2-(4-methylphenoxy)ethyl]-2-(2-phenoxyethylsulfanyl)benzimidazole
+CCC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	YLP	(s)-2-amino-6-propionamidohexanoic(((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride
+Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCC(=O)O	YLQ	3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]sulfanylpropanoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCc2ccc(cc2)F	YLS	(1s,2s)-2-((s)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2c(c(c(c(c2F)F)F)F)F	YLV	(1r,2s)-1-hydroxy-2-((s)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl)propane-1-sulfonic acid
+C[C@@H]1CCN[C@@H]1C(=O)NCCCC[C@H](C(=O)O[P@](=O)(O)OC[C@H]2[C@@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	YLY	(2r)-2-amino-6-({[(2s,3r)-3-methylpyrrolidin-2-yl]carbonyl}amino)hexanoyl [(2s,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (r)-phosphate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2c(c(c(c(c2F)F)F)F)F	YM1	(1s,2s)-1-hydroxy-2-((s)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl)propane-1-sulfonic acid
+CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccncc3	YM2	1-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one
+CCOC(=O)c1cnc2c(c1N3CCO[C@H](C3)CN)cn[nH]2	YM3	ethyl 4-(2-(aminomethyl)morpholino)-1h-pyrazolo[3,4-b]pyridine-5-carboxylate
+Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5ccc(cc5)N6CCN(CC6)C)Br	YM4	6-bromo-7-{4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl}-2-[4-(4-methylpiperazin-1-yl)phenyl]-1h-imidazo[4,5-b]pyridine
+c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCO[C@H](C4)CN)CO	YM5	(3-{4-[(2s)-2-(aminomethyl)morpholin-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl)methanol
+c1cncc2c1c3c([nH]2)ncnc3[N@]4CCO[C@@H](C4)CN	YM6	1-[(2r)-4-(9h-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
+c1c(ncnc1Nc2cnc(cn2)C#N)NCC3CCNCC3	YM7	5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile
+C[C@H](CN(C)C)Oc1c(ncc(n1)Nc2cc3cccc(c3cn2)Cl)C#N	YM8	(r)-5-(8-chloroisoquinolin-3-ylamino)-3-(1-(dimethylamino)propan-2-yloxy)pyrazine-2-carbonitrile
+C(CS)NC(=O)CN(CCN(CCN(CC(=O)NCCS)CC(=O)O)CC(=O)O)CC(=O)O	YMA	7,10,13-tri(carboxymethyl)-5,15-dioxo-4,7,10,13,16-pentaaza-1,19-dithianonadecane
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)(C)C	YMD	(1r,2s)-2-((s)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)(C)C	YMG	(1s,2s)-2-((s)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YMJ	(1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+C[C@H](C[C@H](C)[C@@H]([C@@H](C)C(=O)C[P@H](=O)O)O)CO	YML	[(3r,4s,5s,7r)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctyl]phosphonic acid
+CCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YMM	(1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1cc(ccc1C[C@@H](C(=O)N[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O	YMP	o-(adenosine-5'-o-yl)-n-(l-tyrosyl)phosphoramidate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)c3ccccc3	YMS	(1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1r,4s)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)c3ccccc3	YMV	(1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1r,4s)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	YMX	entrectinib
+CCCC1CCC(CC1)COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YMY	(1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@H]([C@@H]3CCCCN3)O	YMZ	mefloquine
+CCCC1CCC(CC1)COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YN1	(1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OCc3ccc(nc3)N4CCNCC4	YN4	ethyl 4-[(2-cyanoethyl)sulfanyl]-6-{[6-(piperazin-1-yl)
+C[C@H]1CN(CCN1c2cc(c(c(n2)F)Cl)NC(=O)Cn3cc(c4c3N=C5CCCN5C4=O)c6cc(c(c(c6F)F)O)C(=O)N)C	YN7	5-{(5s)-1-[2-({3-chloro-6-[(2s)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1h-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide
+CN1C=Nc2c(c(cn2CC(=O)Nc3ccncc3Cl)c4ccc(c(c4)C#N)O)C1=O	YNA	n-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O	YNC	tetradec-13-ynoic acid - coa thioester
+CN1C=Nc2c(ccn2CC(=O)Nc3ccncc3Cl)C1=O	YND	n-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
+Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5	YNE	2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole
+Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3Cn4cnc(c-5ncnc45)N)C(=O)c6cc7c8c(c(c(c7[nH]6)OC)O)N(CC8)C(=O)c9cc1c2c(c(c(c1[nH]9)OC)O)N(CC2)C(=O)N	YNG	7-{7-[(1r)-1-{[(4p)-6-amino-3h-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carboxamide
+CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCCCCC(=O)O)C3CCCC3	YNJ	7-{[(2s)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1h-inden-5-yl]oxy}heptanoic acid
+CN[C@@H](Cc1ccc(cc1)O)C(=O)O	YNM	n-methyl-l-tyrosine
+C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)c3ccccc3)Cc4ccc(c(c4)Cl)OC	YNP	cryptophycin 1
+[H]/N=C(\N)/N1CCC(CC1)n2c(c(nn2)C)c3cccc(n3)Nc4cc(cc(c4)C)C	YNS	4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidine-1-carboximidamide
+C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC	YNU	eplerenone
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=CC(=O)CC[C@]34C)C/C=C\C[C@@H]5CC6=CC(=O)CC[C@@]6([C@@H]7[C@@H]5[C@@H]8CC[C@@H]([C@]8(CC7)C)O)C	YNV	17alpha-hydroxy-7alpha-[(2z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one
+COc1cc2cc([nH]c2c(c1OC)OC)C(=O)N3C[C@H](c4c3cc(c5c4cc([nH]5)C(=O)OC)O)Cn6cnc(c-7ncnc67)N	YNY	methyl (8r)-8-{[(4p)-6-amino-3h-purin-3-yl]methyl}-4-hydroxy-6-(5,6,7-trimethoxy-1h-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
+c1c(ccc(c1)S(=O)(=O)Nc2sccn2)/N=N/c3c(cc(c(c3)/N=N/c4ccc(cc4)S(=O)(=O)Nc5sccn5)N)N	YO1	4-(2-{2,4-diamino-5-[2-(4-{[(2e)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-n-[(2s)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide
+C[n+]1c2ccccc2oc1/C=C/C=C/3\C=CN(c4c3cccc4)C	YO3	yo3-biotin
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CP(=O)(O)O)O)O)O)O	YO5	(1r)-1,5-anhydro-1-(phosphonomethyl)-d-glucitol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O)O)O)O)N=C(NC2=O)N	YO7	[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2r,3s,4r,5r,6s)-6-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl dihydrogen diphosphate (non-preferred name)
+CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](CS)N)O	YOA	5'-{[(2r,3s)-3-amino-2-({2-[(n-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine
+CSC[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5	YOD	(1r,3s,5s,7s)-n-[(1r,4r)-4-aminocyclohexyl]-3-[(methylsulfanyl)methyl]-5-phenyladamantane-1-carboxamide
+c1cc(c(cc1C[C@@H](C(=O)O)N)F)O	YOF	3-fluorotyrosine
+CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO	YOG	1,3-dihydroxypropan-2-yl (9z)-octadec-9-enoate
+c1cc(ccc1c2cc(ccc2F)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N)Oc7c(nn[nH]7)C(=O)O	YOJ	5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1h-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1h-1,2,3-triazole-4-carboxylic acid
+c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@]35O2)CCC(=O)O	YOK	[[2,2'-[4-carboxyethyl-1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron
+c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@@]35O2)C(=O)O	YOL	[[2,2'-[4-carboxy-1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron
+c1ccc2c(c1)C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe]35O2	YOM	2,2'-[1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron
+C1=CNC(=O)C(=C1)C[C@@H](CO)N	YOP	3-[(2s)-2-amino-3-hydroxypropyl]pyridin-2(5h)-one
+COc1ccc(cc1c2ccnc3c2cc([nH]3)C4=CCN(CC4)C5CCC(CC5)CC(=O)O)F	YOS	[(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2h)-yl}cyclohexyl]acetic acid
+CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CCN(C)C)Cl	YOV	4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2h)-one
+CCCCCCCCCCCC[C@H]1O[C@H]2[C@@H]([C@@H](O[C@H]2O1)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	YOY	[[(2s,3as,5s,6r,6as)-2-dodecyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CC(C)(Cc1ccc2ccccc2c1)NC[C@H](COc3cccc(c3C#N)Cl)O	YP1	2-chloro-6-[(2r)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile
+C[C@H](c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F	YP4	n-[(1r)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
+c1ccnc(c1)c2csc(n2)NC(=O)COc3cccc(c3)F	YP6	2-(3-fluoranylphenoxy)-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide
+CCO[C@@H](Cc1ccc(cc1)OCCn2c3ccccc3c4c2cccc4)C(=O)O	YPA	(s)-3-(4-(2-carbazol-9-yl-ethoxy)-phenyl)-2-ethoxy-propionic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@H](C(=O)O)NC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC	YPC	s-[(2s)-3-(hexadecanoyloxy)-2-(tridecanoyloxy)propyl]-n-pentadecanoyl-d-cysteine
+c1cc2ccc(c3c2c4c1ccc(c4cc3)C#CCCO)C#CCCOP(=O)(O)O	YPE	4-[8-(4-hydroxybut-1-yn-1-yl)pyren-1-yl]but-3-yn-1-yl dihydrogen phosphate
+c1cc2ccc(cc2c3c1ccc(c3)C#CCCO)C#CCCOP(=O)(O)O	YPF	4-[6-(4-oxidanylbut-1-ynyl)phenanthren-3-yl]but-3-ynyl dihydrogen phosphate
+c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N	YPG	[3-[(3~{r},4~{r})-3-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-4-[(2~{s})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid
+c1ccc(cc1)NC(=O)Nc2ccc(cc2)CCNc3c4cc(oc4ncn3)c5ccc(cc5)OCCN6CCC(CC6)O	YPH	1-(4-{2-[(6-{4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea
+c1ccc(cc1)[C@]23CC4C[C@](C2)(CC(C4)(C3)C(=O)NC5CCC(CC5)N)c6ccccc6	YPM	(1s,3r,5s,7s)-n-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide
+c1cc(ncc1Cl)SCCO	YPN	2-[(5-chloro-2-pyridyl)sulfanyl]ethanol
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O	YPP	hydrolyzed piperacillin
+COc1ccc2c(c1)nc(cc2O[C@@H]3C[C@H](NC3)C(=O)O)c4ccccc4	YPR	(4r)-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-proline
+CCOC[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5	YPS	(1r,3s,5r,7r)-n-[(1r,4r)-4-aminocyclohexyl]-3-(ethoxymethyl)-5-phenyladamantane-1-carboxamide
+N[Pt+2](N)([I-])[I-]	YPT	cis-diamino(diiodo)platinum
+C[C@H](c1cc(ccc1C(=O)NC)F)Oc2c(ncc(n2)c3cccnc3OC)N	YPW	2-[(1r)-1-{[3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl]oxy}ethyl]-4-fluoro-n-methylbenzamide
+c1ccc(cc1)N/N=C\2/C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N	YPZ	3-[(3z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-l-alanine
+Cc1cnccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C	YQ7	(4r,10ap)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6h)-one
+C1[C@H](C=NC(=C1C(=O)O)C(=O)O)O	YQA	5-hydroxy,-4,5-dihydroquinolinate
+Cc1cc(ccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C)NS(=O)(=O)C	YQD	n-{4-[(4s,10ap)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide
+Cc1cc(ccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C)NS(=O)(=O)c5[nH]ccn5	YQG	n-{4-[(4s,10ap)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1h-imidazole-2-sulfonamide
+CN(C)CCCNc1nc2cc(c(cc2c(n1)N3CCC(C3)N(C)C)OC)OC	YQJ	n~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-n~1~,n~1~-dimethylpropane-1,3-diamine
+CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(c(c4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)CN5CCCC5)F	YQM	eravacycline
+C=S(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O	YQP	(2~{s})-2-azanyl-4-[[(2~{s},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{3}-sulfanyl]butanoic acid
+CCC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c3ccc(cc3)N4CC(C4)(CN5CCC(CC5)[C@@](CN6CCC6)(c7cccc(c7)F)[C@H]8CCC[C@@H]8NC(=O)OC)OC	YQV	methyl {(1s,2r)-2-[(1s)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1s,4s)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)(CN)O	YQY	[3-(aminomethyl)-3-oxidanyl-azetidin-1-yl]-[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]methanone
+CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cc4)c5csc6c5OC(=CC6=O)N7CCOCC7	YR0	7-cyclopentyl-n,n-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide
+c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3ccc(cc3)[N+](=O)[O-])c4ccc(c(c4)C(=O)O)O)O	YR1	2-hydroxy-5-[(5s)-3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1h-pyrrol-1-yl]benzoic acid
+CCC(CC)(c1ccc(c(c1)C)OC[C@H](CO)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O	YR3	(2s)-3-{4-[1-ethyl-1-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol
+CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)O[C@H](CCO)CO	YR4	(2r)-2-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}butane-1,4-diol
+CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCN(CC3)CCCF	YR7	2-(butylamino)-n-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide
+c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N	YRA	3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide
+c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)Cl	YRG	(2s)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-]	YRJ	3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-1-ium
+c1cc(ccc1CCO)O	YRL	4-(2-hydroxyethyl)phenol
+CC1(CN(CC[C@@]12C(=O)NC(=O)N2)c3cc(cc4n3cnc4)C(F)(F)F)C	YRM	(5s)-6,6-dimethyl-8-[(4s)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
+CC(C)(C)CCC1=C(NC(=O)NC1=O)C(=O)O	YRO	5-(3,3-dimethylbutyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@H](C1[C@H]2[C@@H]1CC(C2)n3cnc4c3cc(c(c4)F)F)C(=O)Nc5ccc(cc5)Cl	YRP	(2r)-n-(4-chlorophenyl)-2-[(1r,3s,5s,6r)-3-(5,6-difluoro-1h-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide
+C1CN[C@@H]([C@H]1O)COP(=O)(O)O	YRR	3-hydroxy-pyrrolidin-2-ylmethyl-monophosphate group
+c1cnn2c1nc(c3c2NCC3)N[C@H]4CCCNC4	YRZ	n-[(3s)-piperidin-3-yl]-7,8-dihydro-6h-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine
+c1cc(ccc1c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O)OC3CC3	YS1	[({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)
+C[C@H](CCCO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YS2	(1r,3r,7e,17beta)-17-[(2r)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+C[C@H](CCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YS3	(1r,3r,7e,17beta)-17-[(2r)-5-hydroxy-5-methylhexan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CC(C)Oc1ccc(cc1)c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O	YS4	[({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)
+CCCC[C@@H](CC(CC)(CC)O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YS5	(1r,3r,7e,17beta)-17-[(2r,3s)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+c1cnccc1NC(=S)N	YS6	1-pyridin-4-ylthiourea
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([C@H]([C@@](CO4)(C)O)NC)O)N)N)N)O	YS7	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-erythro-hexopyranoside
+CCCC[C@@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YS9	(1r,3r,7e,17beta)-17-[(2r,3s)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O	YSA	5'-o-[n-(l-tyrosyl)sulfamoyl]adenosine
+c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N)O	YSC	[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
+CCC(CC)(CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)O	YSD	(1r,3r,7e,17beta)-17-[(2r)-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YSE	(1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-ethyl-5-oxidanyl-pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O	YSG	5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2h-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1h,3h)-dione
+CC(C)(C)COc1ccc(cc1C#N)n2cc(cn2)C(=O)O	YSH	1-[3-cyano-4-(neopentyloxy)phenyl]-1h-pyrazole-4-carboxylic acid
+c1ccc(c(c1)COc2cc(cc(c2F)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)Cl	YSJ	5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+CCCCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YSL	(1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-(2-hydroxyethyl)nonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+c1cc(cc(c1)F)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	YSM	5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+c1cc(c2c(c1)[nH]nc2N)C#N	YSO	3-amino-1h-indazole-4-carbonitrile
+Cc1ccccc1COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	YSP	5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+CCCCC[C@](C)(/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O)O	YSS	15r-methyl-prostaglandin d2
+c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O	YSU	[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YSV	(1r,3r)-5-(2-((1r,3as,7ar,e)-1-((r)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4h-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol
+c1cc(c(cc1C#N)F)[C@H]2CCc3n2cnc3	YSY	4-[(4r,5r)-6,7-dihydro-5h-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile
+COc1cccc2c1CCC[C@@H]2CCCN3CCN(CC3)C4CCCCC4	YT1	pb28
+[Y+3]	YT3	yttrium (iii) ion
+COC(=O)[C@H](CS)NC(=O)OCc1ccccc1	YT4	methyl (2r)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate
+C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@@H](C(C)C)C(=O)[C@H]1[C@@H](C(=O)NC1=O)C)c2ccccc2	YT5	moiramide b
+c1ccc2c(c1)CN(C2=O)CC3CCN(CC3)CC(=O)c4ccc(cc4)F	YT7	roluperidone
+COc1cc2c(cc1O)cc([nH]2)C(=O)N3C[C@H](c4c3cc(c5c4cc([nH]5)C(=O)N6CCc7c6c(c(c8c7cc([nH]8)C(=O)SC)OC)O)O)Cn9cnc(c-1ncnc91)N	YTA	yatakemycin-adenine nucleobase adduct
+C1([C@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)N	YTB	(1r,2r,3s,4r,5r)-5-aminocyclopentane-1,2,3,4-tetrol
+COc1cc(cc(c1OC)OC)C[C@H]2[C@@H](COC2=O)Cc3ccc4c(c3)OCO4	YTC	(3~{s},4~{s})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
+CC(C)([C@H](c1ccccc1)O)NCc2ccc3c(c2)CCC(=O)N3C	YTD	6-({[(1s)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1h)-one
+CN(c1ccc(cc1)Cl)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc3c[nH]c4c3cc(cc4)O	YTG	n-(4-chlorophenyl)-nalpha-[(5-hydroxy-1h-indol-3-yl)acetyl]-n-methyl-l-phenylalaninamide
+C[C@@H]([C@@H](C(=O)O)N)OP(=O)(O)O	YTH	o-phosphono-l-allothreonine
+COCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N	YTJ	2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}benzonitrile
+c1ccc(cc1)CCOc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	YTM	5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione
+COc1cc(cc(c1OC)OC)C[C@@H]2[C@H](COC2=O)Cc3ccc4c(c3)OCO4	YTN	(3~{r},4~{r})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
+Cc1cc(ccc1O)C(=O)C	YTP	1-(4-hydroxy-3-methylphenyl)ethanone
+CC1=CC(=O)N(c2c1ccc(c2OC)OC)C	YTR	7,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one
+c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCN4CCNC(=O)C4)C5=CNC(=O)NC5=O	YTS	5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O	YTT	(3s,6s)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
+CC(C)(CCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O)O	YTV	5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)N2)O)O)O)O	YTW	(3~{a}~{r},4~{s},5~{s},6~{s},7~{r},7~{a}~{s})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{h}-benzo[d][1,2,3]oxathiazole-4,5,6-triol
+COc1cc(ccc1O)CC(=O)O	YTX	2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O	YTY	diethyl [(4-{(2s,3r)-4-[(2-ethylbutyl){4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+c1cc(ccc1N)S(=O)(=O)Nc2nccs2	YTZ	4-amino-n-(1,3-thiazol-2-yl)benzenesulfonamide
+c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCC(F)(F)F)C4=CNC(=O)NC4=O	YU4	5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)c2cn(cc2C(=O)NO)Cc3ccccc3Cl	YU7	1-[(2-chlorophenyl)methyl]-n-hydroxy-4-phenyl-1h-pyrrole-3-carboxamide
+c1cc(c(cc1Br)Br)Oc2ccc(c(c2Br)O)Br	YUG	2,6-dibromo-3-(2,4-dibromophenoxy)phenol
+CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(c4ccccc4n3)Oc5cccc(c5)Cl	YUI	1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione
+c1ccc(cc1)c2cn(cn2)c3cccc4c3ccnc4c5ccc(c(c5)NC6CCC(CC6)O)C(=O)N	YUK	2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1h-imidazol-1-yl)isoquinolin-1-yl]benzamide
+Cc1nc(cs1)COc2ccc(cc2)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c3ccc(cc3)[C@H](C)O)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5	YUM	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate
+CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	YUN	n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
+C[C@@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O	YUP	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate
+COc1ccc(cc1OC)/C=N/NC(=O)Cc2cccc3c2cccc3	YUS	n'-[(e)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1	YUV	(25r)-14beta,17beta-spirost-5-en-3beta-ol
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCC[C@H](CO)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1	YUY	(2r)-2-(hydroxymethyl)-4-{[(25r)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+c1cc2c(cc1C(=O)N3C[C@H]4CCN(CC[C@H]4C3)C(=O)OCc5cc(cc(c5)Cl)Cl)nn[nH]2	YV1	(3,5-dichlorophenyl)methyl (3ar,8as)-2-(1h-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1h)-carboxylate
+C1CNC(=O)[C@H]1N	YV4	(3s)-3-aminopyrrolidin-2-one
+CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O	YVN	n-({(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-l-valyl-l-aspartamide
+c1ccc2c(c1)c(c[nH]2)c3cnc4n3cc(nc4)c5c[nH]nc5	YVQ	3-(1h-indol-3-yl)-6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine
+C[C@H]1CCC(=O)O1	YVR	gamma-valerolactone
+c1cc(ccc1COC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F	YVS	[4-(trifluoromethoxy)phenyl]methyl (3ar,6as)-5-(1h-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1h)-carboxylate
+Cc1c(c(on1)C)c2cc3c4ccc(cc4n(c3c(c2)C(=O)N)CC5CC5)C(=O)N6C[C@H](O[C@H](C6)C)C	YW1	9-(cyclopropylmethyl)-7-[(2r,6s)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9h-carbazole-1-carboxamide
+C[C@]12CCC/C(=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2C#CC#C[C@H](C45CC6CC(C4)CC(C6)C5)O	YW2	(1r,3r,7e,17beta)-17-{(5s)-5-hydroxy-5-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)Cc5ccccc5)C(C)(C)O)C(=O)N	YW4	9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9h-carbazole-4-carboxamide
+Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)C(=O)N	YW7	2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(s)-(oxan-4-yl)(phenyl)methyl]-9h-carbazole-4-carboxamide
+Cc1c(n(nn1)C)c2cc3c(c4ccc(cc4n3[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)nc2	YWA	2-{3-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-5-[(s)-(oxan-4-yl)(phenyl)methyl]-5h-pyrido[3,2-b]indol-7-yl}propan-2-ol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C)NC(=O)c2cc3c([nH]2)cccc3OC	YWJ	4-methoxy-n-[(2s)-4-methyl-1-oxo-1-({(2s)-3-oxo-1-[(3s)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1h-indole-2-carboxamide
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc(cc2)[C@H](C)O)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC	YWM	diethyl [(4-{(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate
+CCCCCN1[C@@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC	YWN	2-[(2r,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide
+Cc1ccc(c(c1)Oc2ccc(cc2)C[C@H](C(=O)N)N)[N+](=O)[O-]	YWO	o-(5-methyl-2-nitrophenyl)-d-tyrosinamide
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc(cc2)[C@@H](C)O)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC	YWP	diethyl [(4-{(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1r)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O	YWS	diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}[(2s)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
+Cc1c(n(nn1)C)c2cc3c(cc2F)c4c(n3[C@H](c5ccccc5)C6CCOCC6)cc(cn4)C(C)(C)O	YWY	2-{(7p)-7-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-8-fluoro-5-[(s)-(oxan-4-yl)(phenyl)methyl]-5h-pyrido[3,2-b]indol-3-yl}propan-2-ol
+C#CCOCCOCCOCCOCCOc1ccc(cc1)c2ccc(cc2)OS(=O)(=O)F	YWZ	4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCC2=C/C(=C(/C)\O)/NO2)O)O)O	YX0	[(3e)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-l-fucopyranoside
+CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)NO	YX1	2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-d-glucopyranose
+Cc1c(n(nn1)C)c2cc3c(c4ccc(c(c4n3[C@H](c5c(cccn5)F)C6CCOCC6)F)C(C)(C)O)nc2	YX4	2-{3-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-6-fluoro-5-[(s)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5h-pyrido[3,2-b]indol-7-yl}propan-2-ol
+Cc1c(cc(o1)Cn2ccc3c2cc(cc3)Br)C(=O)O	YXA	5-[(6-bromo-1h-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid
+CC(C)([C@H]1CCN(C1)c2cc(c(nc2)C(F)(F)F)NC(=O)c3cccc(n3)c4cnn(c4)C)O	YXD	n-{5-[(3s)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1h-pyrazol-4-yl)pyridine-2-carboxamide
+C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3c(cnn3C(F)F)NC1=O)N4C=NC(=CC4=O)c5cc(ccc5n6cc(nn6)Cl)Cl	YXG	milvexian
+c1ccc(cc1)P(CCCCC(=O)N[C@H](CO)[C@@H](c2ccc(cc2)[N+](=O)[O-])O)(c3ccccc3)c4ccccc4	YXM	n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide
+COc1ccc(cc1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)O	YXP	{(5z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid
+C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	YXR	(2r)-sulfonatepropionyl-coa
+C[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	YXS	(2s)-sulfonatepropionyl-coa
+C1CC(=O)N(C1=O)CCCCCN2C3=[N](C=CC=C3)[Ru]([N]4=CC=CC=C42)Cl	YXX	chloro(1-{5-[di(pyridin-2-yl-kappan)amino]pentyl}pyrrolidine-2,5-dione)ruthenium
+C1=CC=[N]2C(=C1)N(C3=[N]([Ru]2Cl)C=CC=C3)CCCCCN	YXZ	chloro[n,n-di(pyridin-2-yl-kappan)pentane-1,5-diamine]ruthenium
+Cc1[nH]c(nn1)S	YY1	5-methyl-4h-1,2,4-triazole-3-thiol
+CC(C)(C)NC(=O)COc1c(cc(cc1Cl)CN)OC	YY2	2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-n-tert-butylacetamide
+Cn1cc(c2c1cccc2)c3ccnc(n3)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C	YY3	n-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
+CN(C)C/C=C/C(=O)N1CC[C@@H](C1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl	YY4	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CC(C)Nc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)[C@H]4CCN(C4)C(=O)/C=C/CN(C)C	YY5	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CN(C)C/C=C/C(=O)N1CC[C@@H](C1)N2c3c(cnc(n3)NC4CCCCC4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl	YY6	7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)[C@H]4CCN(C4)C(=O)/C=C/CN(C)C	YY7	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CN(C)C/C=C/C(=O)N1CCC(CC1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl	YY9	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+C[C@H](C/C=C\C=C)[C@H]([C@@H](C(=O)O)NC)O	YYA	2,4,5-trideoxy-2-(methylamino)-4-[(2z)-penta-2,4-dien-1-yl]-l-xylonic acid
+CO[C@@H]1[C@H](CO[C@@H]([C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O	YYB	1,5-anhydro-3-o-methyl-2,6-di-o-sulfo-d-glucitol
+Cc1c(n2c(n1)N(c3c(ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C2=O)C)CC[C@@H](C(=O)OC)NC(=O)OC	YYG	4-(3-[5-o-phosphonoribofuranosyl]-4,6-dimethyl-8-oxo-4,8-dihydro-3h-1,3,4,5,7a-pentaaza-s-indacen-ylamino-butyric acid methyl ester
+C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O	YYH	7-deoxy-l-glycero-alpha-d-manno-heptopyranose
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	YYJ	1,3,4,6-tetra-o-sulfo-beta-d-fructofuranose
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	YYK	beta-d-quinovopyranose
+C1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O	YYM	alpha-d-ribopyranose
+CC(=O)N[C@H]1[C@@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O	YYQ	2-acetamido-2-deoxy-alpha-l-galactopyranose
+CC(=O)N[C@@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO	YYR	2-(acetylamino)-1,5-anhydro-2-deoxy-d-mannitol
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O)O	YYY	deoxycytidine diphosphate
+c1c(cc(c(c1Cl)O)Cl)/C=C/C(=O)O	YYZ	(2e)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid
+CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	YZ0	methyl beta-d-mannopyranoside
+CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC[C@H](c1ccccc1)c2ccco2)OC)O)O)O	YZ6	(e,2r,3r,4s,5r)-n-[(3r)-3-(furan-2-yl)-3-phenyl-propyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide
+CCOC(=O)C1=Cc2ccc(cc2OC1=O)O	YZ9	7-hydroxy-2-oxo-chromene-3-carboxylic acid ethyl ester
+C=CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O	YZE	n~2~-{[(1s)-1-carboxybut-3-en-1-yl]carbamoyl}-n~6~-[(4-iodophenyl)carbonyl]-l-lysine
+c1ccc(cc1)C(=O)NC(=O)N	YZM	n-carbamoylbenzamide
+C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	YZS	(2s)-sulfonatepropionyl-amino(dethia)-coa
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)S(=O)(=O)O	YZT	6-deoxy-6-sulfo-beta-d-glucopyranose
+CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC	YZY	(2s)-2-(hexadecanoyloxy)-3-hydroxypropyl (9z)-octadec-9-enoate
+C1[C@@H]([C@H](O[C@H]1N2C=CC=NC2=O)COP(=O)(O)O)O	Z	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)pyrimidin-2(1h)-one
+CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNc3c(cc(cn3)C(F)(F)F)Cl	Z00	4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-n-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
+CC(C)(C)C(=O)NC[C@@H](C(=O)O)N	Z01	3-[(2,2-dimethylpropanoyl)amino]-l-alanine
+c1ccnc(c1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]	Z02	5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide
+c1c(c(cc(c1[N+](=O)[O-])N2CCOCC2)NCc3cnc(nc3)N)C(=O)N	Z04	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide
+[B-](c1cc(cc(c1)NC(=O)C)C(=O)O)(O)(O)O	Z06	(3-acetamido-5-carboxy-phenyl)-trihydroxy-boron
+c1cc(c2c(c1)sc(n2)N)C(F)(F)F	Z07	4-(trifluoromethyl)-1,3-benzothiazol-2-amine
+CC(=O)CC[C@H](C[C@@H]1CCNC1=O)N	Z0A	(3s)-3-[(2r)-2-amino-5-oxohexyl]pyrrolidin-2-one
+c1cncc2c1cnc3c2ccs3	Z0B	thieno[2,3-c][2,6]naphthyridine
+C([C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	Z0F	alpha-l-idopyranose
+c1ccc(cc1)CCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)NC(=O)CCS	Z0M	n-[(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide
+CC(C)(C)NC(=O)Nc1ccc2c(c1)nccn2	Z0O	1-(tert-butyl)-3-(quinoxalin-6-yl)urea
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC	Z0P	(2s)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11z)-octadec-11-enoate
+c1ccc2c(c1)c3c([nH]2)cncn3	Z0W	5h-pyrimido[5,4-b]indole
+[B-]([C@@H](C)NC(=O)c1c(cccc1F)c2ccccc2)(O)(O)O	Z10	[(1s)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron
+c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4ccc(cc4Cl)Cl)Cl	Z12	2,4-dichloro-n-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide
+c1cc(ccc1CN=Cc2ccc(cc2)C(F)(F)F)C(F)(F)F	Z13	(e)-n-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
+c1c(c(cc(c1[N+](=O)[O-])N2CCC(CC2)N)NCc3cnc(nc3)N)C(=O)N	Z14	4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide
+c1c(c(cc(c1O)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	Z15	(1s)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-d-glucitol
+c1c(cc(c(c1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)Cl)O	Z16	(1s)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-d-glucitol
+C[C@H](CC(=O)O)C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C	Z17	(3r)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid
+CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CN(C)C)C)C)C	Z18	(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl n,n-dimethylglycinate
+c1ccc2c(c1)c(n[nH]2)C(=O)NN	Z19	1h-indazole-3-carbohydrazide
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NS(=O)(=O)C2CC2)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)OC(C)(C)C	Z1B	n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-n-{(2s)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-prolinamide
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C(F)F)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C	Z1E	n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-n-[(1r,2r)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-l-prolinamide
+c1ccc(c(c1)/N=C\2/NC(=O)/C(=C/c3ccc(c(c3)[N+](=O)[O-])O)/S2)Cl	Z20	(2z,5z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one
+CCn1c2cc(ncc2nc1c3c(non3)N)Br	Z21	4-(6-bromo-1-ethyl-1h-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
+CSS(=O)(=O)C	Z22	s-methyl methanesulfonothioate
+Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C(=[NH2+])N)F	Z23	di[benzamidin-3-yloxy]-3,5-difluoro-4-methyl-pyridine
+c1cc(c(cc1F)F)N2C[C@@H](C[C@H]2O)C(=O)O	Z24	(3~{r},5~{r})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid
+C(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N	Z25	3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
+COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl	Z26	2-(5-chloro-2-methoxyphenyl)-n-(isoquinolin-4-yl)acetamide
+c1cc(c(cc1C(F)(F)F)Cl)S(=O)(=O)Nc2ccc(c(c2)Cl)Sc3nc4cc(ccc4s3)Cl	Z27	2-chloro-n-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide
+C([C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O	Z2D	alpha-l-allopyranose
+c1cc(oc1)c2ccnc3c2c(n[nH]3)C4CC4	Z2M	3-cyclopropyl-4-(furan-2-yl)-1h-pyrazolo[3,4-b]pyridine
+COc1cc(c(c(c1)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	Z2T	(1s)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-d-glucitol
+C[C@H]1C[C@@](C[C@H](C1=O)[C@@H](CC2CC(=O)NC(=O)C2)O)(C)NC(=O)c3ccccc3	Z2V	n-[(1r,3s,4r,5s)-3-{(1r)-2-[(2r,4r,6s)-2,6-dihydroxypiperidin-4-yl]-1-hydroxyethyl}-4-hydroxy-1,5-dimethylcyclohexyl]benzamide
+CC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1	Z30	(5r)-5-tert-butyl-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide
+C=CCNc1nc(c(s1)C(=O)c2ccc3ccccc3c2)N	Z31	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone
+[H]/N=C(\c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)C4=NCCN4C)F)N(C)CC(=O)O)F)O)/N	Z34	n-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-3,5-difluoro-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy]pyridin-4-yl]-n-methylglycine
+C[C@H]([C@@H](CO)Nc1c2cc(cn2ncc1C(=O)N)c3ccccc3)O	Z3A	4-{[(2r,3r)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
+C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	Z3D	(1r,2r,3s,4s,6r)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-d-glucopyranoside
+C[C@H]([C@@H](C(=O)O)N)OCc1ccccc1	Z3E	o-benzyl-l-threonine
+CNC(=O)c1c2c(ccc(c2CN3CCC4(C3)COC4)O)oc1c5ccc(cc5)O	Z3J	5-hydroxy-2-(4-hydroxyphenyl)-n-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide
+CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)OC(=O)C)OC(=O)C)O	Z3K	(1s)-2,3,6-tri-o-acetyl-1,5-anhydro-1-sulfamoyl-d-glucitol
+CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OC(=O)C)OC(=O)C)OC(=O)C	Z3L	2,3,4,6-tetra-o-acetyl-beta-d-galactopyranose
+C(CP(=O)(CCC(=O)O)CCC(=O)O)C(=O)O	Z3P	3,3',3''-phosphoryltripropanoic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN=[N+]=[N-])CO)O)O	Z3Q	2-azidoethyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
+c1ccc2c(c1)nc(s2)c3cc(sc3)S(=O)(=O)N	Z3R	4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)O	Z3U	beta-d-digitoxopyranose
+CCNCCS	Z3V	2-(ethylamino)ethane-1-thiol
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC	Z41	(2s)-3-hydroxypropane-1,2-diyl dihexadecanoate
+CCC[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1	Z46	(5r)-5-propyl-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide
+c1ccc2c(c1)cccc2CCC[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	Z47	(2r,3s,4r,5s,6r)-2-(hydroxymethyl)-6-[3-(naphthalen-1-yl)propyl]oxane-3,4,5-triol
+Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4	Z48	n-[(1s)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1h-pyrrole-2-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)O)O	Z4K	2-o-sulfo-alpha-d-glucopyranose
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)S)O	Z4R	methyl 3-thio-alpha-d-mannopyranoside
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O)O	Z4S	1,6-anhydro-n-acetyl-beta-d-glucopyranosamine
+CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)S)O)O	Z4U	methyl 4-thio-alpha-d-xylopyranoside
+C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)S	Z4V	4-thio-beta-l-ribopyranose
+C1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O	Z4W	beta-d-lyxopyranose
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S	Z4Y	6-thio-alpha-d-mannopyranose
+c1c(c(cc(c1O)Br)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	Z57	(1s)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-d-glucitol
+c1ccc(cc1)[C@H]2CCCN2C(=O)[C@@H]([C@H](C(=O)NCc3cccs3)O)O	Z59	(2r,3r)-2,3-dihydroxy-4-oxo-4-[(2r)-2-phenylpyrrolidin-1-yl]-n-(thiophen-2-ylmethyl)butanamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-]	Z5A	p1-(5'-adenosyl)p5-(5'-(3'azido-3'-deoxythymidyl))pentaphosphate
+c1ccc(cc1)c2ccc(cc2)c3csc(n3)N/N=C(\Cc4ccccc4[N+](=O)[O-])/C(=O)O	Z5D	(2e)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
+c1cc(ccc1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)Cl	Z5G	2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
+C[C@H]1[C@@H]([C@H](CC(O1)O)O)O	Z5J	beta-l-olivopyranose
+CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F	Z5K	n-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S	Z5L	methyl 2-thio-alpha-d-mannopyranoside
+c1ccc(c(c1)CN)n2cccn2	Z5P	1-[2-(1h-pyrazol-1-yl)phenyl]methanamine
+C[C@@H](c1c(ccc(c1F)Cl)Cl)Oc2ccc3ccc(c(c3c2)C4CC4)/C=C/C(=O)O	Z5Y	(2e)-3-{1-cyclopropyl-7-[(1s)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid
+C=CCNc1nc(c(s1)C(=O)c2ccc(s2)Cl)N	Z60	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	Z61	2-deoxy-alpha-d-arabino-hexopyranose
+C=CCNc1nc(c(s1)C(=O)c2cccc(c2)[N+](=O)[O-])N	Z62	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
+C=CCNc1nc(c(s1)C(=O)c2ccncc2)N	Z63	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone
+Cc1c(c([nH]n1)c2ccco2)CCCCN(C)c3c4c(nc[nH]4)ncn3	Z64	n-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
+c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)F	Z67	4-amino-n-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
+c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC3CCCCC3)N	Z68	[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
+CCCCCCCCCCCCCCC[C@H](O)OC[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@H]([C@H]([C@@H]2O[P@](=O)(O)OC[C@@H](CO[C@@H](CCCCCCCC[C@@H](C)CCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCCC)O)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O)O)O)O	Z69	(1s,2r,3r,4s,5r,6s)-2-(alpha-l-allopyranosyloxy)-3,4,5-trihydroxy-6-({6-o-[(1r)-1-hydroxyhexadecyl]-beta-l-gulopyranosyl}oxy)cyclohexyl (2r)-2-{[(1s)-1-hydroxyhexadecyl]oxy}-3-{[(1s,10s)-1-hydroxy-10-methyloctadecyl]oxy}propyl hydrogen (r)-phosphate
+C([C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	Z6H	alpha-l-altropyranose
+C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O	Z6J	alpha-l-ribofuranose
+Cc1cc(ccc1c2cc(c(nc2)N)C(=O)NC3CC3)NC(=O)[C@@H](c4cc(cc(c4)F)F)O	Z6P	2-amino-n-cyclopropyl-5-(4-{[(2r)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide
+Cc1c(ccc(n1)C2=CN=C(N(C2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C	Z6V	vimseltinib
+CCCCCCCC(C[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O	Z6W	(5r)-5-[(2r)-2-hydroxynonyl]-beta-d-xylulofuranose
+CCCCCCCCCCCC(=O)CC(=O)O	Z6X	3-oxotetradecanoic acid
+c1c([nH]c(n1)N)CC[C@@H](C(=O)O)N	Z70	(2s)-2-amino-4-(2-amino-1h-imidazol-5-yl)butanoic acid
+c1cc(ccc1Nc2nc(c(s2)C(=O)Nc3cc(cc(c3)F)F)N)S(=O)(=O)N	Z71	4-amino-n-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
+COc1ccc2c(c1OC3CCCC3)OC(=O)C=C2Nc4c(cncc4Cl)Cl	Z72	8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2h-chromen-2-one
+CCCc1nc(c2n1c3c(ccc(n3)OC)nc2C)C	Z73	2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)S(=O)(=O)c4ccccc4)O)C	Z74	n'-{(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)Cc4ccccc4)O)C	Z75	n'-[(1s,2s)-2-[(2r)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+Cc1cccc(c1)S(=O)(=O)[N@]2CCN[C@H](C2)[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCC[C@@H]5COC)C)O	Z76	n-[(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2r)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2r)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
+Cc1cc2c(cc1C)NC(=O)C(=C2)CN(CCO)C(=S)Nc3cccc(c3)OC	Z77	1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea
+Cc1ccc2c(c1)C=C(C(=O)N2)CN(CCO)C(=O)Nc3ccccc3F	Z78	3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea
+COc1ccc(cc1)S(=O)(=O)NCC(=O)NO	Z79	n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
+c1ccc(cc1)COc2ccc(cc2)C3(CCCC3)S(=O)(=O)c4ccc(cc4)F	Z7D	1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
+c1cc(c(c(c1)Cl)COc2ccc3c(c2)CC[C@@H]4[C@]3(CCN4C(=O)C5CCC(CC5)C(=O)O)S(=O)(=O)c6ccc(cc6)F)F	Z7F	trans-4-{(3ar,9br)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid
+CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)CO)Cl	Z7G	{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
+CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)NC(=O)Cc3cccnc3)Cl	Z7H	n-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide
+CC(C)c1cc(cnc1OC)Oc2c(cc(cc2Cl)NC(=O)CC3CCN(CC3)S(=O)(=O)C)Cl	Z7I	n-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O	Z7P	(2r,3r,4s,5s,6r)-3,4-dihydroxy-5-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+CC(=O)N[C@H]1[C@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO	Z7S	n-[(2s,3s,4r,5r,6r)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
+c1ccc(cc1)c2ccc(cc2)C(=O)O	Z7Z	biphenyl-4-carboxylic acid
+CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl	Z80	3-(2-chloro-10h-phenothiazin-10-yl)-n,n-dimethylpropan-1-amine
+CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cc(ccc4F)F	Z81	(5s)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4h-imidazol-4-one
+c1cc(ccc1C(=O)O)Br	Z82	4-bromobenzoic acid
+CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nccs3	Z83	(4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1h-pyrazol-1-yl}phenyl)acetic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccncc4	Z84	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccccc4	Z85	1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nc(cs3)CCOCc4ccccc4	Z86	(4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1h-pyrazol-1-yl}phenyl)acetic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nccs3	Z87	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea
+CC(=O)NS(=O)(=O)c1ccc(cc1)Br	Z88	n-[(4-bromophenyl)sulfonyl]acetamide
+c1cc2c(cc1Br)/C(=C/3\C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=O)N2	Z89	(2r)-2-[(5z)-5-(5-bromo-2-oxo-1,2-dihydro-3h-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N	Z8B	5'-azido-8-bromo-5'-deoxyadenosine
+CC(C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(c3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O	Z8G	n-[(3r,3as,9bs)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide
+C([C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O	Z8H	beta-l-gulopyranose
+CC(C)(CN1[C@@H](C[C@H](C1=O)F)C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)O	Z8I	(3r,5s)-3-fluoro-5-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one
+CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O	Z8R	3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid
+C([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O	Z8T	beta-l-glucopyranose
+CC(=O)N[C@H]1[C@@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO	Z8V	n-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cnco3)Cc4ccccc4	Z8Z	n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2r,5r)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-l-valinamide
+c1ccc(cc1)CCc2ccc(cc2)COc3ccccc3CC[N@@](CCCCC(=O)O)Cc4ccc(cc4)C(=O)O	Z90	4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid
+COc1ccc(cc1OC)C\2=NNC(=O)/C2=N/Nc3ccc(cc3)Cl	Z92	(4e)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3h-pyrazol-3-one
+COc1ccc2c(c1)C(=O)[N+](=C2)C[C@@]3(C(=O)NC(=O)N3)c4ccc(cc4)c5cccnc5	Z93	2-{[(4r)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1h-isoindolium
+CC(=O)Nc1ccc(cc1)[C@H]2C(=O)NC(=O)N2	Z94	n-{4-[(4s)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide
+CC(C)(C)OC(=O)N1CCN(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)[C@H](c5cncn5C)O)Cl	Z96	tert-butyl 4-{(11s)-8-chloro-6-[(r)-hydroxy(1-methyl-1h-imidazol-5-yl)methyl]-11h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCC[C@@H](C(=O)O)N)O	Z97	(e)-n~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-ornithine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\CC[C@@H](C(=O)O)N)O	Z98	(2s)-2-amino-4-{[(1z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid
+c1ccc2c(c1)C(c3ccccc3O2)C[C@]([C@H]4C[C@@H]4C(=O)O)(C(=O)O)N	Z99	2-[(1s,2s)-2-carboxycyclopropyl]-3-(9h-xanthen-9-yl)-d-alanine
+C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO	Z9D	4-deoxy-beta-d-xylo-hexopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)O)O	Z9E	1-thio-alpha-d-glucopyranose
+CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O)COS(=O)(=O)O	Z9H	3,4-di-o-methyl-2,6-di-o-sulfo-alpha-d-glucopyranose
+CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O	Z9K	3-o-methyl-2-o-sulfo-alpha-l-idopyranuronic acid
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O	Z9L	methyl 2,3,6-tri-o-sulfo-alpha-d-glucopyranoside
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O	Z9M	2-amino-2-deoxy-4-o-phosphono-beta-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)O	Z9N	alpha-d-fructofuranose
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)O	Z9W	2-acetamido-2-deoxy-beta-d-quinovopyranose
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc4	Z9Z	pyridin-3-ylmethyl [(2r,5s)-5-{[n-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-d-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+[B-](CNC(=O)c1ccccc1Cl)(O)(O)O	ZA2	[(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron
+[B-](CNC(=O)c1ccccc1[N+](=O)[O-])(O)(O)O	ZA3	trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron
+[B-](CNC(=O)c1ccccc1F)(O)(O)O	ZA4	[(2-fluorophenyl)carbonylamino]methyl-trihydroxy-boron
+[B-](CNC(=O)c1c(cccc1F)F)(O)(O)O	ZA5	[(2,6-difluorophenyl)carbonylamino]methyl-trihydroxy-boron
+Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)Cc4c(nn(n4)c5ccccc5)CC(=O)O	ZAA	(5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid
+c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O	ZAB	(3-{(z)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid
+c1nc(c2c(n1)n(cn2)C[C@@H](COP(=O)(O)O)O)N	ZAD	(s)-1'-(2',3'-dihydroxypropyl)-adenine
+CN[C@H](Cc1ccccc1)C(=O)O	ZAE	n-methyl-d-phenylalanine
+C[C@@H](C(=O)N[C@@H](C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2	ZAF	o-(((1r)-((n-phenylmethoxycarbonyl-l-alanyl)amino)ethyl)hydroxyphosphono)-l-benzylacetic acid
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc2ccccc2	ZAH	n-[(benzyloxy)carbonyl]-l-alanyl-l-proline
+C1CCC(CC1)C[C@H](C(=O)O)N	ZAL	3-cyclohexyl-d-alanine
+CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C	ZAM	3-[(acetyl-methyl-amino)-methyl]-4-amino-n-methyl-n-(1-methyl-1h-indol-2-ylmethyl)-benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O)N	ZAN	5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
+[H]/N=C(\c1ccc(cc1)[C@H](NC(=O)OCc2ccccc2)P(=O)(O)O)/N	ZAP	[n-(benzyloxycarbonyl)amino](4-amidinophenyl)methane-phosphonate
+COc1cc(ccc1OC(F)F)C2=NNC(=O)C=C2	ZAR	6-(4-difluoromethoxy-3-methoxy-phenyl)-2h-pyridazin-3-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N]=N)O)O)N	ZAS	5'-azido-5'-deoxyadenosine
+[H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/[H])/N)/C	ZAT	4,4'-diacetyldiphenylurea-bis(guanylhydrazone)
+c1cc(cnc1)C(=O)c2cccnc2	ZAW	di(pyridin-3-yl)methanone
+C1CCC(CC1)CCCCCO	ZAZ	5-cyclohexylpentan-1-ol
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)CO)O	ZB0	2,3-di-o-methyl-alpha-d-glucopyranose
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O	ZB1	3-o-methyl-alpha-d-glucopyranose
+CO[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	ZB2	2-o-methyl-alpha-d-glucopyranose
+COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)O)O	ZB3	2,6-di-o-methyl-alpha-d-glucopyranose
+COc1ccccc1N2CCN(CC2)[C@H]3CCCC[C@@H]3NS(=O)(=O)c4ccccc4	ZB4	n-{(1s,2s)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
+C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(=O)O	ZB6	(2r,6r)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
+CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C	ZBA	12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate
+C1=C(C(=NC(=O)N1C[C@@H](COP(=O)(O)O)O)N)Br	ZBC	(2s)-3-(4-amino-5-bromo-2-oxopyrimidin-1(2h)-yl)-2-hydroxypropyl dihydrogen phosphate
+C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=O)=O)Cc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O	ZBD	4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3h)-yl}-n-[(2r)-4-hydroxybutan-2-yl]-n-methylbutanamide
+C#Cc1cccc(c1)N(C(=O)CC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O	ZBF	l-gamma-glutamyl-n-(3-ethynylphenyl)-n-hydroxy-l-glutaminylglycine
+c1c(cc(cc1CBr)CBr)CBr	ZBR	1,3,5-tris(bromomethyl)benzene
+c1ccc(cc1)CC(=O)Nc2nnc(s2)[C@H]3CCC[C@@H](C3)c4nnc(s4)NC(=O)Cc5ccccc5	ZBS	2-phenyl-~{n}-[5-[(1~{s},3~{s})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide
+CC[C@H](C)C1=NCCS1	ZBT	2-[(1s)-1-methylpropyl]-4,5-dihydro-1,3-thiazole
+C1=C(C(=O)NC(=O)N1C[C@@H](COP(=O)(O)O)O)Br	ZBU	(s)-1'-(2',3'-dihydroxypropyl)-5-bromo-uracil
+c1ccc(cc1)C(=O)SC[C@@H](C(=O)O)N	ZBZ	s-(phenylcarbonyl)-l-cysteine
+c1conc1NC[C@H]2CN(C(=O)O2)c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F	ZC0	contezolid
+CC(=O)Nc1nc2cc(ccc2s1)F	ZC3	n-(5-fluoranyl-1,3-benzothiazol-2-yl)ethanamide
+C([C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O	ZCD	alpha-d-idopyranose
+c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl	ZCL	3,4-dichloro-l-phenylalanine
+[Cm+3]	ZCM	curium ion
+c1cc(cc(c1)O)[N+](=O)[O-]	ZCQ	3-nitrophenol
+C[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)c3c(cc(c(c3C2=O)O)c4cc(c5c(c4O)C(=O)C6=C(C5=O)C[C@H](O[C@@H]6C)CC(=O)O)O)O	ZCT	2,2'-[(1r,1'r,3s,3's)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1h,1'h-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid
+c1ccc2c(c1)c(c[nH]2)CCO	ZCW	2-(1h-indol-3-yl)ethanol
+C1=CN(C(=O)N=C1N)C[C@@H](COP(=O)(O)O)O	ZCY	(s)-1'-(2',3'-dihydroxypropyl)-cytosine
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)OC)O)NC(=O)[C@@H](CCO)O	ZCZ	4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-2-o-methyl-alpha-d-mannopyranose
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)NC(=O)[C@@H](CCO)O	ZD0	methyl 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-alpha-d-mannopyranoside
+C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	ZD1	(1r,4s,5s,6r)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-d-glucopyranoside
+c1nc(c2c(n1)n(cn2)CC[C@@H](C(=O)O)O)N	ZD2	(2s)-4-(6-amino-9h-purin-9-yl)-2-hydroxybutanoic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)Cl)N	ZD4	2-chloroadenosine 5'-(trihydrogen diphosphate)
+CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br	ZD6	vandetanib
+CCc1cc2c(c(n1)CC)CCC(=O)N2Cc3ccc(cc3)c4ccccc4c5[nH]nnn5	ZD7	5,7-diethyl-1-{[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1h)-one
+CC#CNCc1cc2c(cc1C)N=C(NC2=O)C	ZD9	2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3h)-one
+C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	ZDA	2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate)
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O	ZDC	3,7-anhydro-2,8-dideoxy-l-glycero-d-gluco-octonic acid
+Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)C#CCCO[N+](=O)[O-]	ZDG	4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate
+Cc1cc(ccc1O)C[C@@H](C(=O)O)N	ZDJ	3-methyl-l-tyrosine
+CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	ZDM	nonyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O	ZDO	methyl 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranoside
+C[C@](CCC[C@@H](C(=O)O)N)(C(=O)O)N	ZDP	(2s,6s)-2,6-diamino-2-methylheptanedioic acid
+C[C@@](CCC[C@@H](C(=O)O)N)(C(=O)O)N	ZDR	(2r,6s)-2,6-diamino-2-methylheptanedioic acid
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCN)COP(=O)(O)O)O	ZDU	5-(3-aminopropyl)-2'-deoxyuridine-5'-monophosphate
+c1cc(cc(c1)F)CN	ZDV	1-(3-fluorophenyl)methanamine
+C1CCC(CC1)CCCCCCO	ZE7	6-cyclohexylhexan-1-ol
+C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	ZE8	zebularine
+C/C(=C\CNc1c2c([nH]cn2)ncn1)/CO	ZEA	(2e)-2-methyl-4-(9h-purin-6-ylamino)but-2-en-1-ol
+C1=CN(C(=O)N[C@@H]1O)C2[C@@H]([C@@H]([C@H](O2)CO)O)O	ZEB	4-hydroxy-3,4-dihydro-zebularine
+c1cc2c(cc1O)sc(n2)S(=O)(=O)N	ZEC	6-hydroxy-1,3-benzothiazole-2-sulfonamide
+C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)Sc2ccccc2	ZED	l-proline, 1-[(2s)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-, 4s
+C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O	ZEE	beta-l-talopyranose
+c1cc(ccc1c2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)F	ZEG	4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
+CO[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O	ZEL	methyl beta-d-altropyranoside
+Cc1c(c2n3c1C(=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)CCC(=O)O)C)C=C)C)O)CCC(=O)O	ZEM	20-oxo-protoporphyrin ix containing zn(ii)
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5	ZEN	[4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]- (3,4,5,6-tetrahydro-2h-[1,4']bipyridinyl-4-yl)- methanone
+CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3ccccc3F	ZEP	n,n-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
+C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1)O)O	ZER	(3s,11e)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
+c1cc2c(cc1Cl)N(C(=O)N(C2=O)Cc3ccc(cc3F)Br)CC(=O)O	ZES	[3-(4-bromo-2-fluoro-benzyl)-7-chloro-2,4-dioxo-3,4-dihydro-2h-quinazolin-1-yl]-acetic acid
+C(CCCCO)CCCC(=O)O	ZEU	9-hydroxynonanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@H]4[C@H](O3)CO[P@@](=S)(O[C@@H]5[C@@H]([C@@H](CO[P@@](=S)(O4)[O-])O[C@H]5n6cnc7c6N=C(NC7=O)N)F)[O-])F)N	ZEV	(2r,5r,7r,8s,10r,12ar,14r,15s,15ar,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-14-(6-amino-9h-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2h,10h,12h-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+CC1C=C(C(CC1O)(C)C)C=CC(=C\C=C\C(=CC=CC=C(C)C=C\C=C(/C)\C=CC2=C(C[C@@H](CC2(C)C)O)C)C)C	ZEX	(1r,2s)-4-{(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol
+C/C(=C/CNc1c2c([nH]cn2)ncn1)/CO	ZEZ	(2z)-2-methyl-4-(9h-purin-6-ylamino)but-2-en-1-ol
+Cc1cccc(c1)CN	ZF0	1-(3-methylphenyl)methanamine
+c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O	ZF1	7-hydroxy-3-(4-hydroxyphenyl)-4h-chromen-4-one
+C[C@@H](c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(CC3)C(F)(F)F)N4[C@@H]5CC[C@H]4CC(C5)C(=O)O	ZF7	(1r,3s,5s)-8-{(1s)-1-[8-(trifluoromethyl)-7-{[(1s,4r)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid
+c1ccc(cc1)C[C@H](C(=O)C[N+]#N)NC(=O)OCc2ccccc2	ZFB	(3r)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium
+C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N(C)C	ZFG	4-{5-[(2e)-but-2-en-2-yl]thiophen-2-yl}-n,n-dimethylaniline
+CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)/C=C/C)(C)C	ZFJ	(4ap)-n,n-diethyl-9,9-dimethyl-7-[(1e)-prop-1-en-1-yl]-9h-fluoren-2-amine
+C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N3CCC3	ZFP	1-(4-{5-[(2e)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine
+C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O	ZFR	(1e,10s)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one
+CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3cccc(c3)C(F)(F)F	ZFS	n-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide
+CC(C)(c1csc(n1)NS(=O)(=O)C2CC2)C(=O)Nc3ccc(cn3)c4cncc(n4)C(F)(F)F	ZFY	2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-n-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
+CCn1c2c(cn1)c(c(cn2)c3nc(no3)CC(=O)N4CCCC4)NC5CCOCC5	ZG1	1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-b]pyridin-4-amine
+CCn1c2c(cn1)c(c(cn2)c3nc(c(o3)Cc4ccccc4)CC(=O)N5CCCC5)NC6CCOCC6	ZG2	5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-b]pyridin-4-amine
+CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4csc(n4)NS(=O)(=O)C5CC5	ZG4	n-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
+c1cc(cc(c1)Br)Oc2cnc3c(c(nn3c2O)C4(CC4)c5ccc(cc5)Cl)C#N	ZG7	(8s)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)Cc3ccccc3)OC(=O)C)O	ZGA	zaragozic acid a
+Cc1cc(ccc1OC)CCC(=O)O	ZGB	3-(4-methoxy-3-methylphenyl)propanoic acid
+COc1ccc(cc1)CCC(=O)O	ZGC	3-(4-methoxyphenyl)propanoic acid
+CNc1cc(ncn1)Oc2c(cc(cc2Cl)NC(=O)Nc3cccc(c3)C(F)(F)F)Cl	ZGD	n-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-n'-[3-(trifluoromethyl)phenyl]urea
+[H]/N=C(/N)\N[C@@H]1[C@H]([C@@H](OC(=C1F)C(=O)O)[C@@H]([C@@H](CO)O)O)NC(=O)C	ZGE	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-d-glycero-d-galacto-non-2-enonic acid
+C(CC(=O)O)[C@H](C(=O)N)N	ZGL	d-alpha-glutamine
+C(CC(=O)O)C(CC(=O)C(=O)O)O	ZGM	(4s)-4-hydroxy-2-oxoheptanedioic acid
+Cc1c(nc(c(c1OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)S	ZGP	5'-o-[(r)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxo-2-sulfanylethyl)pyridin-4-yl]oxy}phosphoryl]guanosine
+C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O	ZGR	2,4-dihydroxy-6-[(1e,10s)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O	ZGS	[(2~{r})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (9~{z},12~{z},15~{z})-octadeca-9,12,15-trienoate
+c1nc2c(n1C[C@@H](COP(=O)(O)O)O)N=C(NC2=O)N	ZGU	(s)-1'-(2',3'-dihydroxypropyl)-guanine
+CC[C@@H](/C=C/C=C(\C)/C=C/C(=O)NC(=O)/C=C/C1=CCN1C(=O)O)O	ZGV	4-[(1e)-3-{[(2e,4e,6e,8s)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2h)-carboxylic acid
+COC(=O)c1cccc(c1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	ZH1	methyl 4'-(alpha-d-mannopyranosyloxy)biphenyl-3-carboxylate
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O	ZH2	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
+O[Zn-](O)O	ZH3	zinc trihydroxide
+C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2cccc(c2)N)O	ZH4	4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide
+C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@H](CC/C=C(/C=C/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)OC)O)O)\C)O)OC)[C@H]([C@]3([C@@H]([C@H]([C@H]([C@H](O3)C[C@H](COC)O[C@H]4C[C@]([C@H]([C@@H](O4)C)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)OC)(C)O)C)O)C)O)O)\C)\C)\C	ZH7	(3~{e},5~{e},7~{e},9~{r},10~{r},11~{e},13~{e},17~{s},18~{s},20~{s})-18-methoxy-20-[(~{r})-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-[(2~{r})-3-methoxy-2-[(2~{r},4~{s},5~{s},6~{s})-5-[(2~{s},4~{r},5~{r},6~{r})-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-propyl]-3,5-dimethyl-2,4-bis(oxidanyl)oxan-2-yl]-oxidanyl-methyl]-10-[(2~{r},3~{s},4~{s},5~{r},6~{s})-5-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5,7,9,13-pentamethyl-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one
+CC(=O)Nc1ccc2c(c1)CCCC2=O	ZHA	~{n}-(5-oxidanylidene-7,8-dihydro-6~{h}-naphthalen-2-yl)ethanamide
+C[C@H]1CCC[C@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O	ZHB	(3s,7s,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one
+C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@@H](/C=C(/C=C(/C=C(/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)\C)\C)\C)O)OC)[C@@H](C)[C@]3([C@@H]([C@H]([C@]([C@H](O3)CCCOC)(C)O[C@H]4C[C@@H]([C@@H]([C@H](O4)C)O[C@H]5C[C@@]([C@@H]([C@H](O5)C)O)(C)O)O)O)OC)O)\C)\OC)\C	ZHD	(3~{e},5~{z},7~{e},9~{r},10~{s},11~{e},13~{e},15~{e},17~{r},18~{s},20~{s})-20-[(1~{r})-1-[(2~{s},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},4~{s},5~{s},6~{r})-5-[(2~{s},4~{r},5~{r},6~{r})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-3-methoxy-6-(3-methoxypropyl)-5-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethyl]-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-[(2~{r},3~{s},4~{r},5~{r},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one
+C[C@H](c1c(cc(c(c1O)[C@@H](C)O)O)O)O	ZHG	2,4-bis[(1r)-1-oxidanylethyl]benzene-1,3,5-triol
+COc1ccc(cc1)CCN	ZHH	2-(4-methoxyphenyl)ethanamine
+COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3)O	ZHJ	5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide
+C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(c(c3)Cl)Cl	ZHK	(2r)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide
+Cc1c(n(nn1)C2CCNCC2)c3cccc(n3)Oc4cc(ccc4Br)Br	ZHM	2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1h-1,2,3-triazol-5-yl]pyridine
+CCCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCCCCC	ZHN	pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate
+CC1=C(C(=O)C=CN1C[C@@H](COP(=O)(O)O)O)O	ZHP	(s)-1'-(2',3'-dihydroxypropyl)-hydroxypyridone
+Cc1cc(cc(c1)Oc2cccc(n2)c3c(nnn3C4CCN(CC4)CCN(C)C)C)C	ZHS	2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidin-1-yl)-n,n-dimethylethan-1-amine
+C/C=C(\C)/C(=O)C[C@H]1C[C@@H]([C@H](CCCC/C=C(/[C@H]2C=C[C@H]3C[C@H](C[C@H]([C@H]3[C@@H]2C(=O)C4=C(CN1C4=O)O)C)C)\C)C)O	ZHU	alchivemycin a
+Cc1c(n(nn1)C2CCN(CC2)CCN(C)C)c3cccc(n3)Oc4cc(ccc4Br)Br	ZHV	2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidin-1-yl)-n,n-dimethylethan-1-amine
+COc1ccc(cc1)CC(=O)N	ZHZ	2-(4-methoxyphenyl)acetamide
+C[C@H](c1nc(c(o1)Br)c2ccc(cc2)C(F)(F)F)Oc3ccc(c(c3F)C(=O)N)F	ZI1	3-[(1r)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide
+c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)F)Br)C(F)(F)F	ZI6	3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide
+c1cc(c(c(c1OCc2nc3cc(cnc3s2)C(F)(F)F)F)C(=O)N)F	ZI7	2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
+c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	ZID	isonicotinic-acetyl-nicotinamide-adenine dinucleotide
+COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F	ZIG	2,4-difluoro-n-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)OCc1ccccc1	ZIL	n-[(benzyloxy)carbonyl]-l-isoleucyl-l-leucine
+c1ccnc(c1)Cc2ccc3cccnc3c2O	ZIN	7-(pyridin-2-ylmethyl)quinolin-8-ol
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C	ZIO	(3s,5r,6s,7r,8r,11r,12s,13r,14s,15s)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranoside
+CC(=CCNc1c2c([nH]cn2)ncn1)C	ZIP	n-(3-methylbut-2-en-1-yl)-9h-purin-6-amine
+C[C@](Cc1c[nH]c2c1cccc2)(C(=O)O)N	ZIQ	alpha-methyl-l-tryptophan
+CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C	ZIR	n-(3-methylbut-2-en-1-yl)adenosine
+CC[C@@H]1[C@@]([C@@H]([C@H]([N@@](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O	ZIT	azithromycin
+CCCCCCCCCC(=O)c1cc(cc(c1)OC)OC	ZJ0	1-(3,5-dimethoxyphenyl)decan-1-one
+CCS(=O)(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC3CCCCC3	ZJ1	(2r)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-n-cyclohexyl-2-(pyridin-3-yl)acetamide
+Cc1cccc(c1c2ccc(s2)C(=O)O)C	ZJ4	5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid
+Cc1cc(c(c(c1)C)c2ccc(s2)C(=O)O)C	ZJ7	5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid
+Cc1ccccc1c2ccc(s2)C(=O)O	ZJA	5-(2-methylphenyl)thiophene-2-carboxylic acid
+CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N	ZJB	(2r,3r,4s,5r)-2-(3-amino-5-methyl-1,4,5,6,8-pentaazaacenaphthylen-1(5h)-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
+CCc1ccccc1c2ccc(s2)C(=O)O	ZJD	5-(2-ethylphenyl)thiophene-2-carboxylic acid
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCC6)C(=O)NS(=O)(=O)C7(CC7)C	ZJG	cyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CC(C6)(F)F)C(=O)NS(=O)(=O)C7(CC7)C	ZJJ	3,3-difluorocyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@@H]6CCC[C@H]6F)C(=O)NS(=O)(=O)C7(CC7)C	ZJM	(1r,2r)-2-fluorocyclopentyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C	ZJS	n-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate)
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@@H](C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C	ZJV	(2s)-1,1,1-trifluoropropan-2-yl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OCC6(CC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C	ZJY	[1-(trifluoromethyl)cyclopropyl]methyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F	ZK1	{[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2h)-yl]methyl}phosphonic acid
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C6CCCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C	ZK4	(1r)-1-cyclopentyl-2,2,2-trifluoroethyl {(2r,4r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F	ZK5	9alpha-fluorocortisol
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C	ZK7	1-(trifluoromethyl)cyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C[NH3+])F	ZK9	[3-aminomethylphenyl-oxy-]-[benzamidin-3-yloxy]-3,5-difluoro-4-methyl-pyridine
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OCC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C	ZKA	(1-methylcyclopropyl)methyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+CC(=O)NC1[C@H]([C@@H]([C@H](O[C@@H]1S[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	ZKD	uridine-diphosphate-1-deoxy-1-thio-n-acetylglucosamine
+O=[W]1234O[Zr]56O[W]78(=O)(O1)O2P91O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O96[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O)(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O8)(O7)O2	ZKG	zirconium(iv) phosphotungstate keggin
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C	ZKJ	(2r)-1,1,1-trifluoropropan-2-yl {(2r,4r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	ZKM	n-[(1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide
+C[S]1[Fe]2S[Fe]3[S]2[Fe]1S3	ZKP	fe3-s4 methylated cluster
+[C@@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	ZKS	(1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+c1cc(c(cc1Cl)Cl)Cn2c(cc(n2)C(=O)O)C(=O)O	ZKW	1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
+c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4)NC(=O)C5CC5)F	ZL1	n-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
+CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccc4c(c3)cc[n+](c4O)CCCCCCCCN5CCC6(CC5)C[C@@H]6C(=O)N1)(O)O	ZL4	(1r,3s,6s,18r,27r)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name)
+Cc1cccc2c1n(nc2c3cc(ccc3F)C(F)(F)F)Cc4nnn(n4)C	ZL5	3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2h-tetrazol-5-yl)methyl]-1h-indazole
+CC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[C@@H](c3ccc(cc3)F)C(F)(F)F	ZL7	(2r,3s)-n-cyclopropyl-3-{[(2r)-3-(cyclopropylmethanesulfonyl)-2-{[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)
+c1ccc2c(c1)ncc(n2)C(=O)NCc3cn(nn3)c4c(cc(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7	ZLA	1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1h-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3	ZLD	n-{[(5s)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
+c1cc(nc2c1cc(cc2)F)C(=O)NCc3cn(nn3)c4c(cc(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7	ZLG	antabactin
+C(CCl)S(=O)(=O)O	ZLJ	2-chloroethane-1-sulfonic acid
+Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C	ZLK	zafirlukast
+CCC(CCCCC[C@@H](c1[nH]c(cn1)c2ccc3c(c2)C=CN(C3=O)CC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O	ZLM	(1s)-6-ethyl-n-{(1s)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1h-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=O)(=O)c4ccc5c(c4)O/C(=N\C)/N5	ZLP	(3r,3as,4r,6ar)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[(2z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)[C@H]4CC[C@@H]3C4)NC(=O)[C@H]5CC56CCN(CC6)C)(O)O	ZLS	(1s)-n-[(1s)-7,7-dihydroxy-1-{4-[(1r,4s)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1h-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
+CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccccc3OCCCCCN4CC[C@@H]4C(=O)N1)(O)O	ZLV	(3s,18s,20ar)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4h-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2h)-one
+c1ccc2c(c1)cccc2C[C@@H]3C/C=C/[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H](C(=O)NC3)CC(=O)N)c5ccc(cc5)CC(=O)O	ZLY	(4-{(10r,11e,14s,18s)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid
+CC(=O)N[C@H](C=O)[C@H]([C@@H](CCOP(=O)(O)O)O)O	ZM1	2-acetamido-2,5-dideoxy-6-o-phosphono-d-lyxo-hexose
+CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)OC	ZM3	mycinamicin iii
+c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O	ZMA	4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol
+B1(c2ccccc2[C@H](O1)O)O	ZMD	(3s)-2,1-benzoxaborole-1,3(3h)-diol
+Cc1ccn(c1)c2c3c([nH]cn3)ncn2	ZME	6-(3-methyl-1h-pyrrol-1-yl)-9h-purine
+CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2F	ZMG	(5r)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5h)-one
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)OC)O	ZMK	methyl 7-{[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate
+CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	ZMO	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9z)-octadec-9-enethioate
+CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	ZMP	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate
+CCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	ZMQ	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9z)-hexadec-9-enethioate
+[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O	ZMR	zanamivir
+CC(CN1Cc2cc(ncc2-c3cnc(n4c3c(nc4)C1=O)NCc5c(ccc6c5CCO6)F)C(F)(F)F)(F)F	ZMY	(9ap,12ar)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3h-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one
+[Zn+2]	ZN	zinc ion
+CC[Sn](CC)(CC)Cl	ZN0	triethyltin chloride
+[Zn+2]	ZN2	zinc ion on 3-fold crystal axis
+[OH2][Zn+2]	ZN3	zinc ion, 1 water coordinated
+CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)Cl	ZN4	1-(4-chlorophenyl)-n-[2-(diethylamino)ethyl]methanesulfonamide
+C[Sn](C)(Br)Br	ZN5	dimethyltin dibromide
+CC[Sn](CC)(Cl)Cl	ZN6	diethyltin dichloride
+CC[Pb](CC)(Br)Br	ZN7	diethyllead dibromide
+C[Sn](C)(C)Cl	ZN8	trimethyltin chloride
+C[Pb](C)(C)Br	ZN9	trimethyllead bromide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](S4)[N]5=CC(=CC=C5)C(=O)N)O)O)O)O)N	ZNA	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1nc(c2c(n1)n(c(n2)SCC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4Br)O)O)[C@H]6[C@@H]([C@@H]([C@H](O6)CN=[N]=N)O)O)N	ZNB	2-[6-azanyl-9-[(2r,3r,4s,5r)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanyl-n-[[(2r,3s,4r,5r)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide
+c1ccc(cc1)CCCN2CCC(=CC2)c3c[nH]c4c3cccn4	ZNC	3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1h-pyrrolo[2,3-b]pyridine
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5)C=C8C)C)CCC(=O)O	ZND	zinc (ii) deuteroporphyrin ix
+C[C@H](CCCC(c1nccs1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C	ZNE	(1r,3s,5z)-5-[(2e)-2-{(1r,3as,7ar)-1-[(1r,5s)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4h-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol
+c1cc-2c(cc1C(F)(F)F)CNC(=O)c3c4c2cnc(n4cn3)NCc5c6ccoc6ccc5F	ZNG	(9am,12as)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3h-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C	ZNH	protoporphyrin ix containing zn
+C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(CO)(F)F)c4c(cc(cc4F)NC5CN(C5)CCCF)F	ZNM	3-[(1r,3r)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol
+C(CCNC(=O)CN=[N+]=[N-])CN	ZNN	n-(4-aminobutyl)-2-azidoacetamide
+[OH2][Zn+2][OH2]	ZNO	zinc ion, 2 waters coordinated
+c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)N	ZNP	(2r)-2-benzyl-3-nitropropanamide
+C=CCOc1ccccc1F	ZNV	1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene
+CCO[C@@H]1C[C@H](NC1)C(=O)O	ZNY	(4r)-4-ethoxy-l-proline
+CN1CCCN(CC1)c2c3ccccc3nc(n2)C(F)(F)F	ZO0	4-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)quinazoline
+c1cc(cc(c1)C(F)(F)F)C=O	ZO1	3-(trifluoromethyl)benzaldehyde
+[OH2][Zn+2]([OH2])[OH2]	ZO3	zinc ion, 3 waters coordinated
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@@H]([C@@H]([C@@H](CO3)O)O)O)Cl	ZO4	n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-ribopyranosylamine
+c1cncc2c1cnc3c2scc3	ZO6	thieno[3,2-c][2,6]naphthyridine
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@H]([C@@H]([C@@H](CO3)O)O)O)Cl	ZO7	n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-arabinopyranosylamine
+c1cncc2c1c3ccsc3nc2	ZO8	thieno[2,3-c][2,7]naphthyridine
+c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N	ZO9	4-[1-(cyclopropylmethyl)-1h-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
+CCOC(=O)c1cnc2c(cnn2c1C)NC(=S)NCc3ccc(cc3)S(=O)(=O)N	ZOA	ethyl (8r)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
+CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	ZOD	[(2r,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] ethanoate
+C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2	ZOE	6-({5-[(3as,4s,5s,6ar)-5-oxido-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid
+[H]/N=C/1\N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O	ZOF	6-({5-[(2e,3as,4s,6ar)-2-iminohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid
+c1cc(ccc1C(=O)CCC(=O)O)S(=O)(=O)N2CCC(CC2)c3ccc(c(c3)F)F	ZOG	4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid
+c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O	ZOL	zoledronic acid
+Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O	ZOM	[5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrol-2-yl]acetic acid
+c1ccc2c(c1)c(no2)CS(=O)(=O)N	ZON	1-(1,2-benzoxazol-3-yl)methanesulfonamide
+CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)F)c3ccc(c(c3)C#CCCCF)F	ZOO	(5r)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4h-imidazol-4-one
+CCN(C)C(=O)c1ccc\2c(c1)NC(=O)/C2=C(/c3ccccc3)\Nc4ccc(cc4)CN5CCCCC5	ZOP	(3z)-n-ethyl-n-methyl-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1h-indole-6-carboxamide
+CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl	ZOT	2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-n,n-dimethyl-ethanamine
+Cc1cc(n(n1)C)c2cnc(c3c2scc3c4ccc5c(c4)ncs5)N	ZOV	3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1h-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine
+c1ccc(cc1)CCCCCCCCCC(=O)NCCC[C@@H](C(=O)N)N	ZOY	n-[(4s)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide
+CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	ZOZ	3-keto-decanoyl-coa
+CCOP(=O)([C@@](CCC(=O)O)([C@@H]1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O	ZP1	(4~{s})-4-[(2~{r})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{h}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-]	ZP4	[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3	ZP6	(2s)-3-phenyl-2-[[(2s)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O	ZP7	(2s)-2,3-dihydroxypropyl hexadecanoate
+[H]/N=C(/CCCS[C@@H]1CC(=O)N(C1=O)Cc2ccccc2)\N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O	ZPA	4-(n-benzylsuccinimide-3-sulfanyl)-n-(6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)butylamidine
+CN1CCN(CC1)C(=O)O[C@@H]2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl	ZPC	(5r)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5h-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate
+CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCOP(=O)(O)O[C@@H]1C[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO	ZPD	(4s,8r,12s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl (1r,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (r)-phosphate
+CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)CO[P@@](=O)(O)OCCN	ZPE	(2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11z)-octadec-11-enoate
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(CO[C@H]1O2)CO)O)O	ZPF	n-[(1s,2r,3r,4r,5s)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
+C[C@H](COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O)O	ZPG	(2s,5r,8r,11s,14s,17s,21r)-5,8,11,14,17-pentamethyl-4,7,10,13,16,19-hexaoxadocosane-2,21-diol
+CC(C)C[C@H](N)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC	ZPH	methyl (2s)-2-{[(r)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate
+C1CC1C(=O)O	ZPJ	cyclopropanecarboxylic acid
+C1CC(C1)C(=O)O	ZPM	cyclobutanecarboxylic acid
+C/C=C/C=C\C(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2CC(=C)C[C@@H](O2)CCCC(=O)C/C(=C\C=C\C(=O)O1)/C)/C)O	ZPN	(2z,4e)-n-[(s)-[(1s,2e,5s,8e,10z,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide
+C1CNN(C1)C(=O)O	ZPO	pyrazolidine-1-carboxylic acid
+Cc1cc(n(n1)COC(=O)N[C@@H](CS(=O)(=O)C)C(=O)N[C@@H](CC(C)C)[C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C)O)C	ZPQ	n~2~-[(2r,4s,5s)-5-{[n-{[(3,5-dimethyl-1h-pyrazol-1-yl)methoxy]carbonyl}-3-(methylsulfonyl)-l-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-n-isobutyl-l-valinamide
+c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O	ZPR	n-benzyloxycarbonyl-l-prolyl-l-prolinal
+C1CC(C1)(C(=O)O)C(=O)O	ZPS	cyclobutane-1,1-dicarboxylic acid
+[CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-]	ZPT	trichloro(ethene)platinate(ii)
+c1ccc(cc1)C2CCN(CC2)S(=O)(=O)c3ccc(c(c3)F)C(=O)NCC(=O)O	ZPV	n-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](Cn4cccn4)O	ZPX	n-[(1r)-1-(4-fluorophenyl)ethyl]-n'-[(2s,3s)-3-hydroxy-1-phenyl-4-(1h-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
+CCOC(=O)c1cnn(c1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccc(cc4)F)O	ZPY	ethyl 1-{(2s,3s)-3-[(3-{[(1r)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1h-pyrazole-4-carboxylate
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](Cn4cc(nn4)[C@H](C)O)O	ZPZ	n-[(1r)-1-(4-fluorophenyl)ethyl]-n'-[(2s,3s)-3-hydroxy-4-{4-[(1s)-1-hydroxyethyl]-1h-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
+c1cc(ccc1C2CCN(CC2)S(=O)(=O)c3ccc(nc3)C(=O)NCC(=O)O)Cl	ZQ1	n-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine
+CCCCCCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O	ZQ4	2,6-anhydro-1-deoxy-1-[(s)-hydroxy{[(4r,8s,12r,16r,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-d-glycero-d-galacto-heptitol
+CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)(C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(F)F)O	ZQ7	2,6-anhydro-1-deoxy-1,1-difluoro-1-[(r)-hydroxy{[(4s,8s,12s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-d-glycero-d-galacto-heptitol
+CCc1csc(n1)c2cnc[nH]2	ZQA	4-ethyl-2-(1h-imidazol-5-yl)-1,3-thiazole
+CSc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3	ZQC	4-methylsulfanyl-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
+Cc1cc(no1)[C@@H]2CCCN2S(=O)(=O)C	ZQD	3-[(2s)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole
+c1cnc([nH]1)CCCN	ZQG	3-(1h-imidazol-2-yl)propan-1-amine
+CN1C(=O)C=C2CNCCC2=N1	ZQJ	2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2h)-one
+CC(C)Sc1ccccc1NC(=O)N	ZQM	n-{2-[(propan-2-yl)sulfanyl]phenyl}urea
+c1cc(sc1)[C@]23CN(C[C@H]2CSC(=N3)N)c4ncccn4	ZQS	(4ar,7ar)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
+c1ccc2c(c1)[C@@H]3[C@@H](C3(F)F)c4ccccc4C2N5CCN(CC5)C[C@H](COc6cccc7c6cccn7)O	ZQU	zosuquidar
+CCCc1cc2c(nc(nc2s1)OC)NCCc3ccc(cc3)OCc4[nH]nnn4	ZQY	2-methoxy-6-propyl-n-(2-{4-[(1h-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine
+[Zr+4]	ZR	zirconium ion
+Cc1c2ccn(c2ncn1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)Oc4cc(c(c5c4CNCC5)F)C(F)F	ZR1	(1s,2s,3s,5r)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
+c1cc(c(cc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O)F)Cl	ZR4	7-[(5r)-5-c-(4-chloro-3-fluorophenyl)-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+COc1cnc(cn1)C(=O)Nc2ccc(c(c2)[C@]34CN(C[C@H]3CSC(=N4)N)c5ncc(cn5)F)F	ZR7	n-{3-[(4ar,7as)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4h)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide
+CC(C(=O)CF)NC(=O)[C@H](CCCNC(N)N)NC(=O)OCc1ccccc1	ZRA	benzoyl-arginine-alanine-fluoro-methyl ketone
+[O-][Zr]123(OP4(=O)O[Zr]5(O1)([O+]2[Zr](O4)(O3)(O5)([O-])([O-])[O-])([O-])([O-])[O-])([O-])[O-]	ZRC	oxo zirconium(iv) cluster
+c1cnsc1[C@]23CN(C[C@H]2CSC(=N3)N)c4ncc(cn4)F	ZRD	(4ar,7ar)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
+[H]/N=C(/NCCC[C@@H](C(=O)NC)NC(=O)C)\NC(=O)NC	ZRG	(2s)-2-acetamido-n-methyl-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]pentanamide
+c1cnccc1c2cc3c(o2)C=CNC3=O	ZRK	2-(4-pyridinyl)furo[3,2-c]pyridin-4(5h)-one
+c1cnccc1c2cc3c(s2)C(=CNC3=O)Br	ZRL	7-bromo-2-pyridin-4-yl-5h-thieno[3,2-c]pyridin-4-one
+c1cc(ccc1C2=CNC(=O)c3c2sc(c3)c4ccncc4)O	ZRM	7-(4-hydroxyphenyl)-2-pyridin-4-yl-5h-thieno[3,2-c]pyridin-4-one
+c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(F)F	ZRO	2,6-dioxo-5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CCCCCCNc1ccc2c(c1)c(c(cn2)C(=O)NC)Nc3ccccc3	ZRP	4-anilino-6-(hexylamino)-n-methylquinoline-3-carboxamide
+c1cc(ccc1C(=O)O)n2cncn2	ZRS	4-(1h-1,2,4-triazol-1-yl)benzoic acid
+CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(c3Nc4ccccc4)C(=O)NC5CC5	ZRV	4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-n-cyclopropyl-7-fluoroquinoline-3-carboxamide
+O=[W]1234O[Zr]56O[W]78(=O)(O1)O[W]91%10(=O)O[W]%11%12(=O)(O2)O[W]2%13%14(=O)O%11P%11%15O9[W]9%16(=O)(O1)O[W]1%17(=O)(O7)O8P78O3[W]3(=O)(O4)(O2)O[W]24(=O)(O5)O7[W](O6)(O2)(O1)(O[W]12(=O)(O%17)O8[W](=O)(O4)(O3)(O1)O[W]13(=O)(O%13)O%11[W](=O)(O1)(O9)(O2)O[W]12(=O)(O%16)O%154[W](=O)(O%12)(O%10)(O1)O[W]4(=O)(O%14)(O3)O2)[O]	ZRW	w-zr-cluster
+[H]/N=C\1/c2ccccc2/C(=N/Nc3ccccc3)/N1	ZRY	(1z,3z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1h-isoindol-1-imine
+c1cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F	ZS0	3-(4-fluorobenzyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one
+[H]/N=C\1/c2ccccc2C(=N1)N	ZS1	(1z)-1-imino-1h-isoindol-3-amine
+CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c4ccccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6	ZS2	(4~{s})-4-[4-fluoranyl-3-(isoquinolin-1-ylmethylcarbamoyl)phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide
+c1ccc2c(c1)nc(n2c3nc(nc(n3)N4CCOCC4)N5CCOCC5)C(F)F	ZS4	2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1h-benzimidazole
+c1ccc2c(c1)C(=NC2=O)N	ZS7	3-amino-1h-isoindol-1-one
+CC#CCCCCC[C@@](C)(C(=O)O)N	ZS8	(2s)-2-amino-2-methyldec-8-ynoic acid
+c1ccc\2c(c1)C(=N/C2=N\NC(=N)N)N	ZSA	(2z)-2-(3-amino-1h-isoindol-1-ylidene)hydrazine-1-carboximidamide
+CN(c1cc(cc(c1)C(=O)O)C(=O)O)S(=O)(=O)C	ZSC	5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
+Cc1c(c(on1)C)CN(C)Cc2cc3n(n2)CCN(C3)c4cc(ncn4)N	ZSD	6-[(8r)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4h)-yl]pyrimidin-4-amine
+CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N	ZSG	(8s)-5-(2-aminopyrimidin-4-yl)-n-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
+CSc1ccc(cc1)CNCCO	ZSJ	2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol
+c1cc(ccc1CSC(=N)N)CSC(=N)N	ZSM	(1,4-phenylene)bis(methylene) dicarbamimidothioate
+C(C(=O)N)N(C(=O)O)N	ZSN	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)c[nH]n4)F	ZSO	5-{[(3s,4r)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2h-indazole
+C/C(=C(\C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O	ZSP	2-amino-6-[(1z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3h)-one
+[H]/N=C(/N)\S[C@H](C)c1ccc(cc1)Cl	ZSS	(1r)-1-(4-chlorophenyl)ethyl carbamimidothioate
+c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O	ZST	3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid
+COc1ccc(cc1)CNC(=O)c2ccccc2C[N@@H+](CC=C)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	ZSV	(r)-[(2s)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium
+CC[C@@H](C)NC(=O)c1ccccc1C[N@@H+](CC=C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O	ZSW	(r)-[2-[[(2r)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2s)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium
+c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c4ccco4	ZSY	n-cyclopropyl-6-(furan-2-yl)-2-hydroxy-n-[(pyridin-2-yl)methyl]pyridine-3-carboxamide
+C[NH+](Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OCO4	ZT0	(4-carboxy-1,3-benzodioxol-5-yl)-n-{2-[(4-methoxybenzyl)carbamoyl]benzyl}-n-methylmethanaminium
+CC(C)N(CCCC[C@@H](C(=O)O)N)Cc1cncn1C	ZT1	n~6~-[(1-methyl-1h-imidazol-5-yl)methyl]-n~6~-propan-2-yl-l-lysine
+c1ccc\2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4	ZT2	5-[(e)-(2-oxo-2,3-dihydro-1h-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
+c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OCO4)O	ZT4	5-{(e)-[(2r)-2-hydroxy-2,3-dihydro-1h-inden-1-ylidene]methyl}-1,3-benzodioxole-4-carboxylic acid
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)C(=O)OC)O	ZTD	methyl 4-[({(4r)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolyl}amino)methyl]benzoate
+CC1=CN(C(=O)NC1=O)C[C@@H](COP(=O)(O)O)O	ZTH	(s)-1'-(2',3'-dihydroxypropyl)-thymine
+c1cc(c(c(c1)F)F)O	ZTN	2,3-bis(fluoranyl)phenol
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C	ZTP	(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate
+c1cc(ccc1c2cc3ccc(cc3s2)O)O	ZTW	raloxifene core
+CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)C	ZTX	2-((4-(4-hydroxypiperidin-1-yl)phenyl)amino)-5,11-dimethyl-5h-benzo[e]pyrimido [5,4-b][1,4]diazepin-6(11h)-one
+C[C@H]([C@@H](C(=O)O)N)OC(C)(C)C	ZU0	o-tert-butyl-l-threonine
+CC(C)C[C@@H](C(=O)N[C@H](CCC(=O)C)C[C@@H]1CCNC1=O)NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc2ccccc2	ZU3	n-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-l-alanyl-n-[(1r)-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}pentyl]-l-leucinamide
+CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl	ZU4	1-(2-chlorobenzyl)-4-hexylpyridin-2(1h)-one
+C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)C1CC1)C[C@@H]2CCNC2=O)NC(=O)OCc3ccccc3)OC(C)(C)C	ZU5	n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-[(1r)-4-cyclopropyl-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}butyl]-l-leucinamide
+c1ccnc(c1)c2csc(n2)Nc3ccc(cn3)Cl	ZUF	~{n}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
+CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(cnc3)Oc4cccc(c4)Cl	ZUI	1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione
+c1cnc(nc1)CCC[C@H](C(=O)O)N	ZUK	5-pyrimidin-2-yl-d-norvaline
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)N(O)O)O	ZUN	(4r)-n-[4-(dihydroxyamino)benzyl]-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolinamide
+c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4	ZUQ	n-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide
+CN1c2c3c(c[nH]c3ncn2)C(=N1)N	ZVO	5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine
+c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCNCC6	ZVP	7-[7-oxo-5-(piperazin-1-yl)-7h-thieno[3,2-b]pyran-3-yl]-n-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
+C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F	ZVS	n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
+C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3Cl	ZVT	2-chloro-n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]benzamide
+C[C@@H](c1nnc(n1C)SCc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F	ZVU	n-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
+Cc1ccccc1OCCSc2nnc(n2C)[C@H](C)NC(=O)c3ccccc3C(F)(F)F	ZVV	n-[1-(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
+C[C@@H](c1nnc(n1Cc2ccc(cc2)F)SCCOc3ccc(cc3)F)NC(=O)c4ccccc4C(F)(F)F	ZVW	n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
+C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3c(cccc3F)F	ZVX	2,6-difluoro-n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]benzamide
+c1ccnc(c1)N2CCN(CC2)Cc3cc(ccc3c4ccc(cc4)C#N)OCC(=O)O	ZVY	2-[4-(4-cyanophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetic acid
+CNC(=O)COc1ccc(c(c1)CN2CCN(CC2)c3ccccn3)c4ccc(cc4)C#N	ZVZ	2-[4-(4-cyanophenyl)-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}phenoxy]-n-methylacetamide
+c1ccc(cc1)Cc2cc3c(s2)NC(=O)N(C3=O)O	ZW2	6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1h,3h)-dione
+CC(=O)Nc1cn2cc(ccc2n1)/C=C\3/C(=O)NC(=O)S3	ZW3	n-{6-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]imidazo[1,2-a]pyridin-2-yl}acetamide
+CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]	ZWI	3-[decyl(dimethyl)ammonio]propane-1-sulfonate
+CC(C)(C=C)c1c(c2ccccc2[nH]1)Cc3c[n+]4c(c(n3)[O-])CC=C4	ZWP	3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-8h-pyrrolo[1,2-a]pyrazin-5-ium-1-olate
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CN)O)O)O	ZWZ	(2r,3r,4r,5r,6s)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol
+C1C[C@@H](CCNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)(=O)O	ZX0	(3r)-1-[(4s)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-l-proline
+C1C[C@H](CCNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)(=O)O	ZX1	(3r)-1-[(4r)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-l-proline
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)CCc2c[nH]c3c2cccc3)O)O)O	ZX5	3-(1h-indol-3-yl)-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}propanamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)Cc2c[nH]c3c2cccc3)O)O)O	ZX6	2-(1h-indol-3-yl)-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3[nH]2)O)O)O	ZX7	n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1h-indole-2-carboxamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3o2)O)O)O	ZX8	n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1-benzofuran-2-carboxamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)[C@H](c2ccccc2)C3CCCC3)O)O)O	ZX9	(2s)-2-cyclopentyl-2-phenyl-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}ethanamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)C)O)O)O	ZXA	n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide
+c1ccc(cc1)C[C@H]2[C@H]([C@H]([C@@H](CN2)O)O)O	ZXB	(2s,3r,4s,5r)-2-benzylpiperidine-3,4,5-triol
+c1cc(sc1)C(=O)Nc2c3c([nH]cn3)ncn2	ZXC	n-(9h-purin-6-yl)thiophene-2-carboxamide
+CC(C)[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O	ZXD	(2s,3r,4s,5r)-2-(1-methylethyl)piperidine-3,4,5-triol
+CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)OS(=O)(=O)O)Br	ZXG	2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate
+c1cc(ccc1CN)I	ZXI	1-(4-iodophenyl)methanamine
+B([C@H](Cn1cc(nn1)C(=O)O)NC(=O)Cc2cccs2)(O)O	ZXM	1-{(2r)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1h-1,2,3-triazole-4-carboxylic acid
+c1cc(ccc1C[C@@H](C(=O)NCCCOC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)NC(=O)/C=C/c5ccc(c(c5)O)O)O	ZXU	n-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-1-benzopyran-3-yl]oxy}propyl)-nalpha-[(2e)-3-(3,4-dihydroxyphenyl )prop-2-enoyl]-l-tyrosinamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NC[C@@H](C=O)N)O)O)N	ZXW	5'-o-[(s)-{[(r)-{[(r)-[(2-{[(2s)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
+CC(C)[C@@H](C(=O)N[C@@H](Cc1cccc(c1)O)C(=O)N2CCC[C@H](N2)C(=O)OC)NC(=O)C	ZXX	methyl (3~{s})-1-[(2~{s})-2-[[(2~{s})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate
+c1cc(c(cc1/C=C/C(=O)N2CCC[C@H]2C(=O)NCCCOC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O	ZXY	n-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-1-benzopyran-3-yl]oxy}propyl)-1-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-l-prolinamide
+CC1=CC(=O)N(c2c1cccc2)C	ZXZ	1,4-dimethylquinolin-2(1h)-one
+CCc1ccnc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)C(F)(F)F)O	ZY0	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-4-ethyl-8-(2-oxopyrrolidin-1-yl)quinoline-6-carboxamide
+CCc1cn2c3c1cc(cc3[N@](S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O	ZY1	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1h-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
+CCN1CCN2CCS(=O)(=O)[N@](c3c2c1cc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O)C	ZY2	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-8-ethyl-1-methyl-3,4,7,8-tetrahydro-1h,6h-[1,2,5]thiadiazepino[5,4,3-de]quinoxaline-10-carboxamide 2,2-dioxide
+CCNc1cc(cc2c1CCCS(=O)(=O)N2C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O	ZY3	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-6-(ethylamino)-1-methyl-1,3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide
+CCn1cc2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)C(CNC5CCOCC5)(O)O	ZY4	n-[(1s)-1-benzyl-2,2-dihydroxy-3-(tetrahydro-2h-pyran-4-ylamino)propyl]-6-ethyl-1-methyl-1,3,4,6-tetrahydro[1,2]thiazepino[5,4,3-cd]indole-8-carboxamide 2,2-dioxide
+COc1cc(ccc1\C=C\2/CCCN=C2c3cccnc3)O	ZY5	4-[(e)-5,6-dihydro-2,3'-bipyridin-3(4h)-ylidenemethyl]-3-methoxyphenol
+c1ccc(cc1)c2cnc3c(c2N4CCO[C@H](C4)CN)cn[nH]3	ZY6	1-[(2s)-4-(5-phenyl-1h-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
+COc1ccc(c(c1)OC)\C=C\2/CCCN=C2c3cccnc3	ZY7	(3e)-3-[(2,4-dimethoxyphenyl)methylidene]-3,4,5,6-tetrahydro-2,3'-bipyridine
+c1cc(nc(c1)C(=O)O)CN	ZY9	6-(aminomethyl)pyridine-2-carboxylic acid
+CC(C(=O)CF)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc2ccccc2	ZYA	benzoyl-tyrosine-alanine-fluoro-methyl ketone
+c1cc(ccc1/C(=N/O)/N)F	ZYB	4-fluorobenzamidoxime
+CCOC(=O)/C=C/c1ccc(c(c1)OC)O	ZYC	ethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
+CC(C)(CCCCCC[C@@]12CCC[C@H]1/C(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)/CCC2)O	ZYD	(1r,3s,5z)-5-{(2e)-2-[(3ar,7as)-7a-(7-hydroxy-7-methyloctyl)octahydro-4h-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
+CCn1ccc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O	ZYE	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-1-ethyl-4-(2-oxopyrrolidin-1-yl)-1h-indole-6-carboxamide
+C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)OC(=O)[C@H](CCCCN(C(=O)/C=C\CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O	ZYF	(9z)-11-{hydroxy[(5s)-6-{[(1s)-3-{[(3s)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid
+C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)O[C@H]([C@H](CCCCN(C(=O)CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O)O	ZYG	9-{hydroxy[(5s,6r)-6-hydroxy-6-{[(1s)-3-{[(3s)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid
+c1cnc(nc1)N2CCN(CC2)C3CN(C3)C(=O)c4ccc5c(c4)oc(n5)C6CCCCC6	ZYH	(2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone
+c1cc2c(cc1Cl)nc(o2)NC(=O)CC3CCCC3	ZYI	n-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
+COc1ccc(cc1OC)/C=N/O[C@@H]2C[C@H](NC2)C(=O)O	ZYJ	(4r)-4-({[(1e)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-l-proline
+COc1ccc(cc1OC)C(=O)NO[C@@H]2C[C@H](NC2)C(=O)O	ZYK	(4r)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-l-proline
+CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O	ZYL	1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid
+c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O)O	ZYM	2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid
+CC(C)N1C(=C2CCN(C(=O)C2=C(C1=O)O)Cc3ccc(c(c3)Cl)F)C(=O)N(C)C	ZYN	6-(3-chloro-4-fluorobenzyl)-4-hydroxy-n,n-dimethyl-2-(1-methylethyl)-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide
+CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3N4CC[N@](S4(=O)=O)C)Cc5ccc(c(c5)Cl)F)C	ZYO	(6s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2h,6h)-dione
+c1cc2c(c(c(nc2N3CCCCS3(=O)=O)C(=O)NCc4ccc(cc4)F)O)nc1	ZYP	5-(1,1-dioxido-1,2-thiazinan-2-yl)-n-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
+CC(=O)Nc1nc2c(s1)C(=O)NCCC2	ZYQ	n-(4-oxo-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
+C1CCc2c(c3c(s2)N=CNC3=O)C1	ZYR	5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one
+CC(C)(C)Nc1nc(c(s1)C(=O)c2ccccc2)N	ZYS	[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone
+CSc1[nH]c(c(n1)O)Cc2cccs2	ZYT	2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1h-imidazol-4-ol
+c1[nH]c2c(n1)c(ncn2)N3CCOCC3	ZYU	6-morpholin-4-yl-9h-purine
+c1[nH]c2c(n1)ncnc2N3CCO[C@H](C3)CN	ZYV	1-[(2s)-4-(7h-purin-6-yl)morpholin-2-yl]methanamine
+c1c2c(c(cnc2[nH]n1)Br)N3CCO[C@H](C3)CN	ZYW	1-[(2s)-4-(5-bromo-1h-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
+c1cc(ccc1CCN)S(=O)(=O)N	ZYX	4-(2-aminoethyl)benzenesulfonamide
+C[C@H]1CN(C(=O)c2n1c3c(c2O)C(=O)N(N=C3N(C)S(=O)(=O)C)Cc4ccc(cc4)F)C(C)C	ZYY	n-[(6s)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-8-(1-methylethyl)-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-n-methylmethanesulfonamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)C[Se](=O)O)C(=O)OC	ZYZ	(4-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
+c1cc(c(nc1)Nc2ccc(cc2)Cl)C(=O)O	ZZ0	2-(4-chloro-phenylamino)-nicotinic acid
+CC1=CC(=O)Oc2c1cccc2	ZZ1	4-methyl-2h-chromen-2-one
+Cc1cc(nc(n1)N)OCCOC	ZZ2	4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
+Cc1nc(nc(n1)SC)N	ZZ3	4-methyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine
+c1ccc(cc1)/N=N/c2cnc(nc2c3ccc(cc3Cl)Cl)N	ZZ4	4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine
+CCOc1ccc(cc1)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N	ZZ5	3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
+CCNC(=O)c1cc2c(nc(nc2s1)N)c3ccc(cc3Cl)Cl	ZZ6	2-amino-4-(2,4-dichlorophenyl)-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C	ZZ7	(2r,4s)-2-[(r)-{[(2r)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CC(=O)Nc1ccccc1C(=O)O	ZZ8	2-(acetylamino)benzoic acid
+CCCCCCCCCC[C@H](O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	ZZ9	5'-o-[(s)-hydroxy{[(1r)-1-hydroxyundecyl]oxy}phosphoryl]adenosine
+c1ccc(cc1)n2cc(cn2)C(=O)O	ZZA	1-phenyl-1h-pyrazole-4-carboxylic acid
+[B@@-]12(c3cc(c(cc3CO1)F)NCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	ZZB	[(1s,3s,5r,6r,8r)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
+CC(=O)[C@@H]([C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O	ZZC	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3r)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N	ZZD	s-trityl-l-cysteine
+CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N	ZZE	5-{[3,5-diethyl-1-(2-hydroxyethyl)-1h-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile 
+Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc3)S(=O)(=O)N	ZZF	4-({4-[(2,6-dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide
+Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c(c(c4)OC)OC)OC	ZZG	4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-n-(3,4,5-trimethoxyphenyl)pyridin-2-amine
+c1ccc(cc1)Cc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O	ZZH	(2s)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
+CCCN(CCC)C(=O)[C@@H]([C@@H](CO)O)O	ZZI	(2r,3r)-2,3,4-trihydroxy-n,n-dipropylbutanamide
+C[C@@H](C(=O)N)NC	ZZJ	n^2^-methyl-l-alaninamide
+c1cc(c2c(c1)OCO2)c3cc(c(nc3)N)c4ccc(cc4)C(=O)N	ZZK	4-[2-amino-5-(1,3-benzodioxol-4-yl)pyridin-3-yl]benzamide
+c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F	ZZL	4-{[9-chloro-7-(2,6-difluorophenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid
+CC(C)n1c2c(c(n1)C#Cc3cccnc3)c(ncn2)N	ZZM	1-(1-methylethyl)-3-(pyridin-3-ylethynyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6cc(cc(c6)F)O)c(ncn5)N	ZZN	2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one
+Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6ccc(c(c6)F)O)c(ncn5)N	ZZO	2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one
+COC1=CC(=C/C(=N\c2c(nc3ccccc3n2)NS(=O)(=O)c4ccc(cc4)F)/C1)OC	ZZP	n-(3-{[(1z)-3,5-dimethoxycyclohexa-2,4-dien-1-ylidene]amino}quinoxalin-2-yl)-4-fluorobenzenesulfonamide
+COc1ccccc1N2C(=O)C3=C(CCCC3)N=C2SCC(=O)Nc4ccc5c(c4)nccn5	ZZQ	2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-n-quinoxalin-6-ylacetamide
+c1([nH][n+]2c(n[nH]c2n1)N)N	ZZR	3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium
+c1nc(nc(n1)N)N	ZZS	1,3,5-triazine-2,4-diamine
+Cc1ccc(c(c1)N)OC	ZZT	2-methoxy-5-methylaniline
+C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O	ZZU	(2s,3s)-3-hydroxyarginine
+C[N@@](c1c2cccnc2c(c3c1CN(C3=O)Cc4ccc(cc4)F)O)S(=O)(=O)C	ZZV	n-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6h-pyrrolo[3,4-g]quinolin-5-yl]-n-methylmethanesulfonamide
+c1ccc2c(c1)c3cc(ncc3n2Cc4ccc(cc4)F)C(=O)NO	ZZW	9-(4-fluorobenzyl)-n-hydroxy-9h-beta-carboline-3-carboxamide
+CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3C(=O)NC)Cc4ccc(c(c4)Cl)F)C	ZZX	(6s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-n,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide
+c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)n2ccc3c2cc(cn3)C(=O)N	ZZY	1-[(2-nitrophenyl)sulfonyl]-1h-pyrrolo[3,2-b]pyridine-6-carboxamide
+C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C=O	ZZZ	6-formyltetrahydropterin
diff --git a/graphein/molecule/graphs.py b/graphein/molecule/graphs.py
index f6e0b70ce..ec95b1875 100644
--- a/graphein/molecule/graphs.py
+++ b/graphein/molecule/graphs.py
@@ -20,6 +20,12 @@
     compute_edges,
     import_message,
 )
+from graphein.utils.junction_tree.jt_utils import (
+    get_mol,
+    get_smiles,
+    tree_decomp, 
+    get_clique_mol,
+)
 
 from .config import MoleculeGraphConfig
 
@@ -94,7 +100,7 @@ def construct_graph(
     graph_annotation_funcs: Optional[List[Callable]] = None,
 ) -> nx.Graph:
     """
-    Constructs protein structure graph from a ``sdf_path``, ``mol2_path``  or ``smiles``.
+    Constructs molecule structure graph from a ``sdf_path``, ``mol2_path``  or ``smiles``.
 
     Users can provide a :class:`~graphein.molecule.config.MoleculeGraphConfig`
     object to specify construction parameters.
@@ -227,3 +233,37 @@ def construct_graph(
         g = annotate_edge_metadata(g, config.edge_metadata_functions)
 
     return g
+
+def construct_junction_tree(
+    smiles: Optional[str] = None,
+) -> nx.Graph:
+    """
+    Constructs molecule structure junction tree graph from a ``smiles``.
+
+    :param smiles: smiles string to build graph from. Default is ``None``.
+    :type smiles: str, optional
+    :return: Molecule Structure Junction Tree Graph
+    :type: nx.Graph
+    """
+
+    mol = get_mol(smiles)
+
+    g = nx.Graph(
+        name=smiles, smiles=smiles
+    )
+
+    cliques, edges = tree_decomp(mol)
+        
+    for i, c in enumerate(cliques):
+        cmol = get_clique_mol(mol, c)
+        g.add_node(
+            f"{get_smiles(cmol)}:{str(i)}",
+        )
+
+    for n1, n2 in edges:
+        if g.has_edge(n1, n2):
+            g.edges[n1, n2]["kind"].add("junction_tree")
+        else:
+            g.add_edge(n1, n2, kind={"junction_tree"})
+
+    return g
\ No newline at end of file
diff --git a/graphein/protein_ligand/1lds.pdb.gz b/graphein/protein_ligand/1lds.pdb.gz
new file mode 100644
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zyxeu})jBA(aP$!A^ec#@$4{R6WaNh@+v2R>aS+5}Qqu33AJh2T>x>`sF>q`5$@2gE
zq#4OMzJ_o%F+x})j4G&wJKPRY*d|abXt$z}Irmgm3bHf^0w?C@;Dpql8B-1i(<1`e
NWRHe?#Vsnx{{W%Dm+}Ar

literal 0
HcmV?d00001

diff --git a/graphein/protein_ligand/Components-smiles-stereo-oe.smi b/graphein/protein_ligand/Components-smiles-stereo-oe.smi
new file mode 100644
index 000000000..f186e01f3
--- /dev/null
+++ b/graphein/protein_ligand/Components-smiles-stereo-oe.smi
@@ -0,0 +1,37103 @@
+COC(=O)O	000	methyl hydrogen carbonate
+COc1cc(cc(c1OC)OC)C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CCCc3ccccc3)CCCc4cccnc4)(F)F	001	1-[2,2-difluoro-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(3-pyridin-3-yl-propyl)-butyl ester
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO	002	n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-isoleucyl-l-leucine
+CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5ccncc5)C(=O)N(C1=O)C	003	5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
+c1ccc(cc1)[C@@H](C(=O)O)N	004	(2s)-amino(phenyl)ethanoic acid
+c1ccc(cc1)C[C@@H]([C@@H](C(=O)O)O)N	005	(2s,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C	006	(4r)-3-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+c1ccc(cc1)C2(CCCC2)CN	007	1-methylamine-1-benzyl-cyclopentane
+c1ccc2c(c1)C[C@H](N(C2)C(=O)C[C@@H](Cc3ccccc3F)N)C(=O)N	008	(s)-2-[(r)-3-amino-4-(2-fluoro-phenyl)-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide
+CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@]3(CN(C(=O)N3)Cc4ccccc4)Cc5ccccc5)O	009	(4s)-1,4-dibenzyl-n-[(1s,2r)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide
+c1cc(ccc1C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)Cl	00A	5'-o-[(s)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine
+CC1([C@H](NCS1)C(=O)O)C	00B	(4r)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+C([C@H](C(=O)O)N)S(=O)(=O)O	00C	3-sulfo-d-alanine
+C[C@H](C(C)(C)C)N	00D	(2r)-3,3-dimethylbutan-2-amine
+C1COCCN1CC(=O)O	00E	morpholin-4-ylacetic acid
+C[C@H](C[P@](=O)([C@H](Cc1ccccc1)N)O)C(=O)O	00F	(2s)-3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+c1ccn(c1)CCOc2ccc3c(c2)cc[nH]3	00G	5-[2-(1h-pyrrol-1-yl)ethoxy]-1h-indole
+c1ccc(cc1)C[C@H](N)[P@@](=O)(CCC(=O)O)O	00H	3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid
+[H]/N=C(\c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)[C@H](CCC(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N	00I	n-[(1r)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-n~2~-(naphthalen-2-ylsulfonyl)-l-alpha-glutamine
+Cc1c(c2ccc(cc2o1)Oc3ccnc4c3ccc(c4)OCCN5CCOCC5)C(=O)NC	00J	n,2-dimethyl-6-{[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy}-1-benzofuran-3-carboxamide
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCCN)[C@@H](C(=O)NC4CCCCC4)O)N	00K	(1s,7s)-7-amino-n-[(2r,3s)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
+[H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)NCCc1ccccc1)O)NC(=O)[C@@H]2CCN3N2C(=O)[C@@](CC3)(Cc4ccccc4)N	00L	(1s,7s)-7-amino-7-benzyl-n-[(1s)-4-carbamimidamido-1-{(1s)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
+c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)N	00M	(2r,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCNC(=N)N)[C@@H](c4nccs4)O)N	00N	(1s,7s)-7-amino-7-benzyl-n-{(1s)-4-carbamimidamido-1-[(s)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1h-pyra zolo[1,2-a]pyridazine-1-carboxamide
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N	00O	beta-phenyl-d-phenylalanine
+c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)N	00P	(5s)-n-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
+[H]/N=C(\N)/NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)N	00Q	d-phenylalanyl-n-{(1s)-1-[(s)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-l-prolinamide
+c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NC4CCC(CC4)c5cnc([nH]5)N	00R	(5s)-n-[trans-4-(2-amino-1h-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
+[H]/N=C(/c1ccc(cc1)CN)\N	00S	4-(aminomethyl)benzenecarboximidamide
+c1cc(c(cc1Cl)CN)CN	00T	(4-chlorobenzene-1,2-diyl)dimethanamine
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)O)N	00U	(1s,7s)-7-amino-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxylic acid
+C(CCN)C[C@@H]([C@@H](C(=O)O)O)N	00V	(2s,3s)-3,7-diamino-2-hydroxyheptanoic acid
+[H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)O)O)N	00W	3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-l-erythro-hexonic acid
+c1ccc2c(c1)C[C@H]([C@H]2N)O	00X	(1s,2r)-1-amino-2,3-dihydro-1h-inden-2-ol
+c1csc(n1)[C@H]([C@H](CCCNC(=N)N)N)O	00Y	1-[(4s,5s)-4-amino-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]guanidine
+c1ccc(cc1)CO	010	phenylmethanol
+C(CCCN)CCC(=O)O	011	7-aminoheptanoic acid
+CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)N3)Cc4cccc(c4)OC)O	012	(4s)-n-[(1s,2r)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide
+c1c(scn1)COC(=O)O	013	1,3-thiazol-5-ylmethyl hydrogen carbonate
+c1c2c(cc(c1F)Cl)nc([nH]2)n3cc(cn3)C(=O)O	014	1-(5-chloro-6-fluoro-1h-benzimidazol-2-yl)-1h-pyrazole-4-carboxylic acid
+c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)N	015	(2s,3s,5s)-2,5-diamino-1,6-diphenylhexan-3-ol
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C	016	(4r)-3-[(2r,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	017	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropylcarbamate
+c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCc2ccsc2	018	2-nitro-n-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline
+CC(C)c1nc(cs1)CN(C)C(=O)O	019	methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamic acid
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)Cl)O	01A	4-chlorophenacyl-coenzyme a
+c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N	01B	(2s,3r)-3-amino-2-hydroxy-4-phenylbutanoic acid
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)C(C(F)(F)F)(F)F)N	01C	(4s)-4-amino-1,1,1,2,2-pentafluoro-5-(1h-indol-3-yl)pentan-3-one
+C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)NC(=O)[C@H](CC(=O)n2cccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	01E	(2s)-2-(3,3-dimethylbutanoylamino)-n-[(2s)-1-[[(2s,3s)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide
+CCOC(=O)O	01F	ethyl hydrogen carbonate
+C1COCCN1c2nc3c(n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC3=O)N	01G	8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate)
+C(CCNN)CN	01H	4-hydrazinylbutan-1-amine
+c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O	01I	naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N[C@@H](N3CCOCC3)O	01J	n-[(s)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-d-phenylalanine
+CC(=O)N[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)N	01K	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r,20r)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate
+B([C@H](CCCOC)N)(O)O	01L	[(1r)-1-amino-4-methoxybutyl]boronic acid
+[H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)O	01M	(3s)-1-carbamimidoylpiperidine-3-carboxylic acid
+C1CCC(CC1)C[C@H](C(=O)O)NCC(=O)O	01N	n-(carboxymethyl)-3-cyclohexyl-d-alanine
+[H]/N=C(\c1cc(cn1C)CN)/N	01O	4-(aminomethyl)-1-methyl-1h-pyrrole-2-carboximidamide
+COc1cc(ccc1N2CCOCC2)Nc3nccc(n3)Nc4cc5ccccc5nc4	01P	n~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-n~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
+[H]/N=C(\c1ccc(n1C)CN)/N	01Q	5-(aminomethyl)-1-methyl-1h-pyrrole-2-carboximidamide
+c1cnccc1NCCN	01R	n-(pyridin-4-yl)ethane-1,2-diamine
+	01S	n-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-alanylglycinamide
+CCc1c(c(c(c(n1)CC(C)(C)C)CN)c2ccc(cc2)C)CC(=O)O	01T	[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid
+c1cc2c(cc1N)sc(n2)N	01U	1,3-benzothiazole-2,6-diamine
+c1cc(c(cc1Cl)CN)Cl	01V	1-(2,5-dichlorophenyl)methanamine
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCC[C@@H](C(=O)[O-])[NH3+]	01W	(2s)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate
+c1cc(c(cc1Cl)CN)OCC(=O)O	01X	[2-(aminomethyl)-4-chlorophenoxy]acetic acid
+C1CCC(C1)OCC(=O)O	01Y	(cyclopentyloxy)acetic acid
+C1CCC(CC1)OCC(=O)O	01Z	(cyclohexyloxy)acetic acid
+c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])C(F)(F)F	020	n-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline
+C1CCC(C1)NCC(=O)O	021	n-cyclopentylglycine
+Cc1cc(ccc1n2c(ccc2c3ccc(cc3)n4ccnc4)CCC(=O)O)C(=O)N	022	3-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1h-imidazol-1-yl)phenyl]-1h-pyrrol-2-yl}propanoic acid
+C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O	023	n^2^-[(2r)-2-{(1s)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-n,3-dimethyl-l-valinamide
+c1cc(cc(c1)NC2CCCCC2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br	024	4-bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]thiophene-2-carboxylic acid
+c1cc(cc(c1)S(=O)(=O)O)C(F)(F)F	025	3-(trifluoromethyl)benzenesulfonic acid
+C1CN(CCN1)CCCN	026	3-(piperazin-1-yl)propan-1-amine
+Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2ccc(c3)N4CCN(CC4)C)C(C)C	027	7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1h-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2h)-one
+CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O	028	(1-hydroxyheptane-1,1-diyl)bis(phosphonic acid)
+[H]/N=C(\N)/NCC1CCC(CC1)C(=O)O	029	cis-4-(carbamimidamidomethyl)cyclohexanecarboxylic acid
+C1CN[C@@H]1C(=O)O	02A	(2s)-azetidine-2-carboxylic acid
+Cc1cc(c(c(c1S(=O)(=O)O)C)C)OC	02B	4-methoxy-2,3,6-trimethylbenzenesulfonic acid
+[H]/N=C(/c1csc(n1)CN)\N	02C	2-(aminomethyl)-1,3-thiazole-4-carboximidamide
+[H]/N=C(/c1ccc(s1)CN)\N	02D	5-(aminomethyl)thiophene-2-carboximidamide
+CO/C=C/C[C@@H](N)P(O)(O)(Oc1ccccc1)Oc2ccccc2	02E	(e,1s)-1-[dihydroxy(diphenoxy)-$l^{5}-phosphanyl]-4-methoxy-but-3-en-1-amine
+COCCC[C@@H](N)P(=O)(O)O	02F	[(1s)-1-amino-4-methoxybutyl]phosphonic acid
+C(CS)/C=C/[C@H](CC(=O)O)O	02G	(3s,4e)-3-hydroxy-7-sulfanylhept-4-enoic acid
+c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccc(cc2)c3cccnc3)N)O)N	02H	(2s,3s,5s)-2,5-diamino-6-phenyl-1-[4-(pyridin-3-yl)phenyl]hexan-3-ol
+c1nc(c2c(n1)n3c(n2)[C@@H]([C@@H]4[C@H](C[C@H]3O4)O)OP(=O)(O)O)N	02I	(6s,7s,8s,10r)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6h-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate
+Cc1cc(no1)C(=O)O	02J	5-methyl-1,2-oxazole-3-carboxylic acid
+C1CCC(CC1)(C(=O)O)N	02K	1-aminocyclohexanecarboxylic acid
+CC(C)(C)CNC(=O)C[C@@H](C(=O)O)N	02L	n-(2,2-dimethylpropyl)-l-asparagine
+Cc1ccc(cc1)CN	02N	1-(4-methylphenyl)methanamine
+CC(C)(C)c1nc(on1)C[C@@H](C(=O)O)N	02O	3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-l-alanine
+C[n+]1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl	02P	d-phenylalanyl-n-[(4-chloro-1-methylpyridinium-2-yl)methyl]-l-prolinamide
+Cc1ccccc1CCC(=O)O	02Q	3-(2-methylphenyl)propanoic acid
+c1ccc(c(c1)CN)Cl	02R	1-(2-chlorophenyl)methanamine
+c1ccc(cc1)COc2ccc(cc2)C(=O)O	02S	4-(benzyloxy)benzoic acid
+Cc1ccsc1CN	02T	1-(3-methylthiophen-2-yl)methanamine
+CCC(C)CCCC=CCCCCCCCC(=O)O	02U	14-methylhexadec-9-enoic acid
+CN[C@@H](c1ccc(c(c1)O)O)C(=O)O	02V	(2s)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid
+Cc1nc2ccccc2n1CCN	02W	2-(2-methyl-1h-benzimidazol-1-yl)ethanamine
+CC(C)[C@H](CC(=O)O)C(=O)O	02X	(2s)-2-(propan-2-yl)butanedioic acid
+C(CC(=O)C[N+]#N)[C@@H](C(=O)O)N	02Y	6-diazonio-5-oxo-l-norleucine
+c1ccc(cc1)Nc2nc(c(s2)C(=O)N)N	02Z	4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide
+C1[C@H](C[C@@H]2[C@H]1[C@H](CO2)O)OC(=O)O	030	(3r,3ar,5r,6ar)-3-hydroxyhexahydro-2h-cyclopenta[b]furan-5-yl hydrogen carbonate
+COc1ccc(cc1)S(=O)(=O)[N@@](C[C@H]2CCC(=O)N2)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@@H]4C[C@@H]5CCO[C@@H]5C4)O	031	(3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl [(1s,2r)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2r)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F	032	n-(3-{[5-(4-chlorophenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
+CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c3cc4ccccc4o3	033	n-({4'-[(1-benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-yl}sulfonyl)-l-valine
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cc([nH]5)C(=O)O	034	5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1h-indole-2-carboxylic acid
+C(CC[C@@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O	035	(2s)-2,7-bis(phosphonooxy)heptanoic acid
+C(CC[C@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O	036	(2r)-2,7-bis(phosphonooxy)heptanoic acid
+C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)O	037	(1s,3ar,6as)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid
+CC(C)C[C@@H](C(=O)NC[C@](CCc1ccccc1)(C(=O)Nc2cccc(c2)C(=O)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)c3[nH]nnn3)N	038	3-[[(2s)-2-[[[(2s)-2-[[(2s)-2-[[(2s)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid
+COc1ccccc1N2C(=Nc3cccc(c3C2=O)Cl)CSc4c5c([nH]cn5)ncn4	039	2-((9h-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3h)-one
+CCCC(C(=O)C(=O)NC1CC1)N	03A	(3s)-3-amino-n-cyclopropyl-2-oxohexanamide
+Cc1c(c(c(n1C)c2ccc(cc2)Cl)c3cccc(c3)N4CCN(CC4)c5ccc(cc5)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7)C(=O)O	03B	5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1h-pyrrole-3-carboxylic acid
+Cc1ccccc1n2c(c(cn2)C(=O)c3cccc(c3)C4CCN(CC4)S(=O)(=O)C)N	03C	[5-amino-1-(2-methylphenyl)-1h-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone
+CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2CC2)C[C@@H]([C@H](Cc3ccccc3)O)O)O)O	03D	(2r,4s,5s)-n-[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide
+C1CCCC(CC1)(C(=O)O)N	03E	1-aminocycloheptanecarboxylic acid
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O	03F	(9z)-n-[(2s,3r,4e)-1-(beta-d-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide
+CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Cl)C	03G	n-(4-chlorophenyl)-n'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
+CC(C)C[C@@H](C(=O)O)Cl	03H	(2s)-2-chloro-4-methylpentanoic acid
+C[C@@](CCc1ccc(cc1)c2ccc(cc2)OCCCN3CCOCC3)(C(=O)NO)S(=O)(=O)C	03I	(2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)O	03J	3-[4-(4-phenylthiophen-2-yl)phenyl]propanoic acid
+c1cc(ccc1C(=O)N)C(=O)Nc2cc([nH]n2)C3CC3	03K	n-(5-cyclopropyl-1h-pyrazol-3-yl)benzene-1,4-dicarboxamide
+c1ccc(c(c1)C(=O)NCc2c(cccc2Cl)Sc3ccc(cc3Cl)Cl)C(=O)O	03L	2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid
+Cc1c(ccc2c1[nH]cc2/C=C\3/C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl	03M	(5z)-5-[(6-chloro-7-methyl-1h-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione
+[H]/N=C(\N)/N1CCC(CC1)CN	03N	4-(aminomethyl)piperidine-1-carboximidamide
+CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)O	03O	4-({[(6s)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid
+CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O	03P	n-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
+c1cc(cc(c1)Oc2c(cc(cn2)Nc3c4c(ccn4CCOCCO)ncn3)Cl)C(F)(F)F	03Q	2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol
+[H]/N=C(/c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccccc3C(=O)O)F)N[C@@H](C)CCc4ccccc4)F)\N	03R	2-({6-{3-[amino(imino)methyl]phenoxy}-3,5-difluoro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl}oxy)benzoic acid
+CS(=O)(=O)O	03S	methanesulfonic acid
+c1ccc2c(c1)cc(s2)S(=O)(=O)N	03T	1-benzothiophene-2-sulfonamide
+CC/C(=C(\C#N)/C(=O)Nc1ccc(c(c1)C(=O)OC)c2ccc(cc2)F)/O	03U	methyl 4-{[(2z)-2-cyano-3-hydroxypent-2-enoyl]amino}-4'-fluorobiphenyl-2-carboxylate
+c1ccc2cc(ccc2c1)O	03V	naphthalen-2-ol
+C([C@H](C(O)O)O)O	03W	(2r)-propane-1,1,2,3-tetrol
+CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC	03X	n-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide
+C[C@](CS)(C(=O)O)N	03Y	2-methyl-l-cysteine
+c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	03Z	4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
+Cc1ccccc1C(=O)CC(=O)C(=O)O	040	4-(2-methylphenyl)-2,4-dioxobutanoic acid
+C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O	041	2-(3-fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol
+CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC	042	n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-threonyl-l-isoleucine
+c1cc(cc(c1)Br)C(=O)CC(=O)C(=O)O	043	4-(3-bromophenyl)-2,4-dioxobutanoic acid
+CC1=C(C(=O)N(N1C[C@@H](C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC	044	n-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2r)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)CO)O)O)O)O	045	beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranosyl alpha-d-glucopyranoside
+CC(=O)Nc1cc(ncn1)Oc2ccc3c(c2)CCN3C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	046	5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1h-indole-1-carboxamide
+Cc1ccc(cc1)n2cc(c3c2cccc3)CNCC4CCCCC4	047	1-cyclohexyl-n-{[1-(4-methylphenyl)-1h-indol-3-yl]methyl}methanamine
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCCCC4=O	048	n-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)amino]phenyl}benzamide
+CC(=O)N[C@@H](Cc1ccccc1)[C@H]([C@]2(CO2)C)O	049	2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-d-xylitol
+c1ccc(cc1)CC(=O)Nc2nnc(s2)CCSCCc3nnc(s3)NC(=O)Cc4ccccc4	04A	n,n'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide)
+C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)N)O	04B	2-amino-1,2,4-trideoxy-4-methyl-1-phenyl-d-xylitol
+C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3)O	04C	1,2,4-trideoxy-4-methyl-2-{[n-(morpholin-4-ylacetyl)-l-alanyl-o-methyl-l-tyrosyl]amino}-1-phenyl-d-xylitol
+C[C@H](CO)[C@H]([C@H](CC(C)C)N)O	04D	(2r,3r,4s)-4-amino-2,6-dimethylheptane-1,3-diol
+C(C(=O)O)I	04E	iodoacetic acid
+C1CNC(=O)[C@@H]1C[C@@H]([C@@H](O)S(=O)(=O)O)N	04F	(1s,2s)-2-amino-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1cc2c(cc1O)OC3=CC(=O)C=CC3=N2	04G	7-hydroxy-3h-phenoxazin-3-one
+[H]/N=C(\N)/N1CCC[C@H](C1)CN	04H	(3s)-3-(aminomethyl)piperidine-1-carboximidamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N	04J	aminopterin
+CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4)F)C	04K	2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1ccc(cc1C(=O)Nc2cc3c([nH]c(n3)c4ccccc4)nc2)NC(=O)/C=C/c5ccccc5	04L	2-methyl-n-(2-phenyl-3h-imidazo[4,5-b]pyridin-6-yl)-5-{[(2e)-3-phenylprop-2-enoyl]amino}benzamide
+CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3	04M	5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid
+c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O	04N	2-amino-2-deoxy-4,6-o-(phenylmethylidene)-alpha-d-glucopyranose
+c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O	04O	2-amino-2-deoxy-4,6-o-[(1r)-3-phenylpropylidene]-alpha-d-glucopyranose
+[H]/N=C(\N)/N1CCC[C@H](C1)CO	04P	(3r)-3-(hydroxymethyl)piperidine-1-carboximidamide
+c1ccc(cc1)CNCC(=O)O	04Q	n-benzylglycine
+C1CCc2c(c(nn2CC(=O)O)C(F)(F)F)C1	04R	[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetic acid
+C1CNC[C@@H]1N	04S	(3r)-pyrrolidin-3-amine
+CC(=O)Nc1ccc(cc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)C	04T	n-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide
+C1[C@@H](CN[C@@H]1C(=O)O)N=[N+]=N	04U	azanylidene-[(3s,5s)-5-carboxypyrrolidin-3-yl]imino-azanium
+[H]/N=C(/[C@@H]1CCCN1)\O	04V	(2s)-pyrrolidine-2-carboximidic acid
+CCCCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)[N+](=O)[O-]	04W	2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid
+C1COCCN1CC2=CC[C@H](NC2)C(=O)O	04X	(2s)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid
+c1ccc(cc1)c2ccncc2N3CCC(CC3)C(=O)NC4CC4	04Y	n-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide
+COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	04Z	4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H]4CC[C@H](C[C@H]4C(=O)O)C(=O)O	051	(1r,3r,4s)-4-[({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)amino]cyclohexane-1,3-dicarboxylic acid
+Cc1cc(ccc1C(=O)NC2CC2)c3cnn4c3nc(cc4NCCN5CCOCC5)Oc6ccccc6	052	n-cyclopropyl-2-methyl-4-(7-{[2-(morpholin-4-yl)ethyl]amino}-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzamide
+c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O	053	1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1h-indole-2-carboxylic acid
+c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)N4C(=O)c5cscc5NC4=O	054	1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4h)-yl)-5-(trifluoromethyl)-1h-indole-2-carboxylic acid
+Cc1cccc(c1NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](c4ccccc4)C(=O)O)Cl	055	(2s)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid
+c1cc(cc(c1)C(=O)O)CSCc2ccc(cc2Cl)Cl	056	3-[(2,4-dichlorophenyl)methylsulfanylmethyl]benzoic acid
+CC(C)(CO)NC(=O)c1ccc2c(c1)c(cn2C)c3cc4cccnc4[nH]3	057	n-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indole-5-carboxamide
+c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl	058	1-benzyl-5-chloro-3-(2-fluorophenyl)-1h-indole-2-carboxylic acid
+CC(C)[C@H](NS(=O)(=O)CCc1ccccc1)[P@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	059	(2s)-2-[3-(aminomethyl)phenyl]-3-{(s)-hydroxy[(1r)-2-methyl-1-{[(2-phenylethyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid
+c1cc2c(cc1c3nccc(n3)c4cc5c([nH]4)C6(CCNCC6)CNC5=O)OCO2	05B	2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'h)-one
+Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5CCNC[C@H]5C)OC[C@@H]6CCCN6C)C3	05C	7-(8-methylnaphthalen-1-yl)-4-[(2~{r})-2-methylpiperazin-1-yl]-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine
+Cc1cnn(c1)c2ccncc2N3CCC(CC3)C(=O)N(C)C	05D	n,n-dimethyl-1-[4-(4-methyl-1h-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide
+Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5[C@@H]6CC[C@H]5CNC6)OC[C@@H]7CCCN7C)C3	05F	4-[(1~{r},5~{s})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine
+Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5C[C@H]6CC[C@@H](C5)N6)OC[C@@H]7CCCN7C)C3	05I	4-[(1~{s},5~{r})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine
+CC[C@]1(CCc2c1nc(cc2)N3c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C(=O)N3CC=C)O	05J	1-[(7r)-7-ethyl-7-hydroxy-6,7-dihydro-5h-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	05L	heptyl 1-seleno-beta-d-glucopyranoside
+CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccc4	05M	2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione
+C[C@H]1[C@H](CN[C@@H]1C(=O)O)O	05N	(3r,4r)-4-hydroxy-3-methyl-l-proline
+c1cc(ccc1C[C@@H](C(=O)O)N)OC(F)(F)F	05O	(2s)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanal
+c1cc(c(cc1CC(=O)O)Cl)Cl	05R	2-(3,4-dichlorophenyl)ethanoic acid
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](CNCCC2)C)C(=O)N	05S	(6s)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide
+[H]/N=C(\N)/NC1CCC(CC1)CN	05T	1-[4-(aminomethyl)cyclohexyl]guanidine
+CC(C)C[C@@H]([C@H](C(C)C)O)N	05U	(3s,4s)-4-azanyl-2,6-dimethyl-heptan-3-ol
+C[C@H](CO)[C@@H]([C@H](CC(C)C)N)O	05W	(2r,3s,4s)-4-azanyl-2,6-dimethyl-heptane-1,3-diol
+CN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F	05X	2,4,6-tris(fluoranyl)-n-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide
+CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3	05Y	~{n}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide
+CSC[C@H](C(=O)O)N	060	s-methyl-d-cysteine
+CCCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)O	061	2-butyl-6-hydroxy-3-[2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-quinazolin-4-one
+c1ccc2c(c1)-c3c[n+](ccc3[C@]2(C(=O)N4CCC[C@H]4C(=O)NCc5cc(ccc5CN)Cl)O)[O-]	062	3-aza-9-hydroxy-9-fluorenylcarbonyl-l-prolyl-2-aminomethyl-5-chlorobenzylamide, n-oxide
+C[C@]1(c2cc(c(cc2CCN1)OCCOCCNC(=O)[C@H](CCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Oc3ccc(c(c3)F)c4ccc(cc4)C(=O)O)CC(=O)Nc5nccs5	063	4'-{[(1r)-6-{2-[2-({n~5~-[n,n'-bis(tert-butoxycarbonyl)carbamimidoyl]-n~2~-(tert-butoxycarbonyl)-l-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(c(c3)Cl)\C=C\c4cccc(c4)C(=O)O	064	3-[(e)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	065	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(2s,3r)-3-hydroxy-4-(n-isobutylbenzo[d][1,3]dioxole-5-sulfonamido)-1-phenylbutan-2-ylcarbamate
+Cc1cc(cc2c1ncc(c2Nc3cccc(c3)OC)C(=O)N)S(=O)(=O)c4cccc(c4)C(=O)N(C)C	066	6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide
+c1cc(ccc1n2cc(nn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N	067	p-(4-ruthenocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide
+CC(=O)c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O	068	(3s)-5-(4'-acetylbiphenyl-4-yl)-3-hydroxypentanoic acid
+c1cc(cc(c1)O)C(=O)NO	069	n,3-dihydroxybenzamide
+C[C@H](C(=O)N1CC2(C1)CC(C2)F)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3	06A	 1-cyclopentyl-6-[[(2r)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5h-pyrazolo[3,4-d]pyrimidin-4-one
+COc1ccc(c(c1C(=O)O)OC)Br	06B	3-bromo-2,6-dimethoxybenzoic acid
+CI	06C	iodomethane
+CCC(=O)N1CCC[C@H]1c2ccc(cc2)OC	06D	1-[(2~{s})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
+c1c(cnc2c1sc3c2N=C(NC3=O)CNCCCCCC(=O)O)Br	06E	6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccc5c(c4)CCCCC5=O	06F	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)amino]phenyl}urea
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](C(=O)N(CCC2)C)C)C(=O)N	06H	(6s)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide
+Cc1c(ncs1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	06I	5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NC[C@H]5CCCN5CCC2)C(=O)N	06J	(3ar)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13h-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide
+CS(=N)(=O)C1(CC1)c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5=CN(C(=O)c6c5cc[nH]6)CCC=C	06M	6-(but-3-en-1-yl)-4-[6-{1-[(r)-s-methanesulfonimidoyl]cyclopropyl}-2-(1h-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+CCCNc1nn2c(cnc2s1)c3ccc(cc3)O	06N	4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol
+C[n+]1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	06P	d-phenylalanyl-n-[(1-methylpyridinium-4-yl)methyl]-l-prolinamide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F	06R	2-[4-(trifluoromethyl)phenyl]-3h-quinazolin-4-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)COP(=O)(O)S)S)OP(=O)(O)S)O)NC(=NC2=O)N	06S	o-[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[(s)-({(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (s)-phosphorothioate
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H]([C@@H](CN(CC2)C(=O)[C@H](C)N)C)C)C(=O)N	06T	(5r,6s)-3-(l-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccncc3	06U	6-ethyl-5-{(3r)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)N3CCOCC3	06V	6-ethyl-5-{(3r)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3ccncc3	06W	6-ethyl-5-{(3s)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN	06X	amlodipine
+c1ccc(cc1)OCC(=O)O	06Y	2-phenoxyethanoic acid
+c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)F)N	06Z	{4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
+c1ccc(cc1)C[C@@H]2[C@H](O2)[C@@H]([C@H](Cc3ccccc3)N)O	070	(1r,2s)-2-azanyl-3-phenyl-1-[(2r,3r)-3-(phenylmethyl)oxiran-2-yl]propan-1-ol
+Cn1c-2c(c(n1)C(=O)N)CCc3c2nc(nc3)Nc4cc(ccc4OC)N5CCN(CC5)C	071	8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+CCCCCCC[C@H]1N(C(=O)[C@@H](S1)CC(=O)N(Cc2ccccc2)Cc3ccccc3)CCCCc4ccc(cc4)C(=O)O	072	(+/-)(2s,5s)-3-(4-(4-carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine
+COC(=O)c1ccc(cc1)[C@@](C\C=C\c2ccccc2)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4	073	(4-{(2s,4e)-2-(1h-1,2,3-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-enyl}phenyl)(difluoro)methylphosphonic acid
+CCCNC(=O)[C@H](CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)O)O	074	[propylamino-3-hydroxy-butan-1,4-dionyl]-isoleucyl-proline
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CS(=O)(=O)C)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C	075	(4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-l-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]2[C@H](O2)Cc3ccccc3)O)NC(=O)COc4ccccc4	076	(s)-n-((1r,2s)-1-((2r,3r)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide
+c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O	077	(3s)-5-biphenyl-4-yl-3-hydroxypentanoic acid
+c1ccc(cc1)C[C@@H]([C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)N	078	(2r,3r,4r,5s)-3,5-bis(azanyl)-1,6-diphenyl-hexane-2,4-diol
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)NC(=O)COc3ccccc3	079	(s)-n-((2s,3s,4r,5r)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide
+COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)O)O	07B	dimethyl (1s,2s,4s,5s)-4,5-dihydroxycyclohexane-1,2-dicarboxylate
+CSc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-]	07C	2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline
+CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)C(=O)C)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C	07D	trans-geranyl bacteriochlorophyll a
+C[C@@H](CCO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O	07E	(3s)-3-hydroxybutyl beta-d-xylopyranoside
+CC1=C(C(=O)N(C(=N1)c2cccc(c2O)F)CCc3ccccc3)Cc4ccccc4	07F	5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3h)-one
+CC(C)(C)NC(=O)[C+](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(c(c3)F)F)C=O	07G	2-(tert-butylamino)-1-(2-carboxy-6-chloro-1h-indol-3-yl)-1-[(3,4-difluorobenzyl)(formyl)amino]-2-oxoethylium
+c1ccc2c(c1)C=C(CO2)CN3CCN(CC3)C(=O)c4cccc(c4)c5ccn[nH]5	07H	[4-(2h-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1h-pyrazol-5-yl)phenyl]methanone
+C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2CC(=CC(=O)O2)C)C)NC(=O)/C=C\[C@H](C)OC(=O)C	07I	spliceostatin e (form i)
+CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl	07J	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea
+Cc1cccc2c1nccc2N	07K	8-methylquinolin-4-amine
+c1cc2c(cc1O)OC(=O)C=C2	07L	7-hydroxy-2h-chromen-2-one
+c1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3	07M	8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1h-pyrano[3,4-c]pyridine-5-carbonitrile
+Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2F)c3ncc(s3)C(=O)O)Cl)Cl	07N	2-[(3s,4r)-4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
+C[C@@H](c1ccccc1)C(=O)SC[C@@H](C(=O)O)N	07O	s-[(2s)-2-phenylpropanoyl]-l-cysteine
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCC[C@@H]2C[C@H]2CCCCCCCCCC)O	07P	n-[(2s,3r)-10-[(1r,2r)-2-decylcyclopropyl]-1-(alpha-d-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide
+C[C@H](c1cccc(c1)OC)NC(=O)Nc2nc(cs2)c3ccncc3	07Q	1-[(1r)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
+c1cc(cc(c1)O)CNC(=O)Nc2nc(cs2)c3ccncc3	07R	1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
+c1cc(cnc1)c2cnc(s2)Nc3cc(ccn3)N4CCN(CC4)CC(=O)N5CCOCC5	07S	1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone
+Cn1c2cc(sc2c3c1C(=O)N(N=C3)Cc4cccc(c4)N)[S@](=O)C	07T	6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
+CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	07U	2-methyl-n~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine
+CC1=CC[C@H](CC1=O)C(=C)C	07V	(5r)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O	07Y	(2s,3r,4r,5r)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol
+c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)O)N	07Z	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid
+C[C@]1(C(=O)NC(=O)O1)c2cccc(c2)CN3c4ccccc4N(C3=O)c5c6ccc(cc6on5)OC	082	(5r)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione
+Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C	083	4,6-dimethyl-n'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamide
+C[C@@H](c1ccccc1)Nc2nccc(n2)c3c(nc(n3C)C4CCNCC4)c5cccc(c5)C(F)(F)F	084	4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1h-imidazol-2-yl]-piperidine
+c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5	085	4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1h-imidazol-2-yl]benzamide
+Cc1c(c(c([nH]1)C(=O)NC2CCN(CC2)c3cc(cc(n3)Cl)C(=O)N)Cl)Cl	087	2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4c(c3)ccn4Cc5cccc(c5)C(=O)O	088	3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1h-indol-1-yl)methyl]benzoic acid
+CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3cc(c4c(c3)CN(CC4)C(=O)c5ccccc5)C	08A	(3s)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1h-benzotriazol-5-yl)propanoic acid
+Cc1c(cc([nH]1)C(=O)NC2CCN(CC2)c3c(cccn3)[N+](=O)[O-])Br	08B	4-bromo-5-methyl-n-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1h-pyrrole-2-carboxamide
+COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	08C	2-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one
+Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N	08D	sulfamethoxazole
+c1cc2c(cc1Cl)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O	08E	1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid
+CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NC(=O)c2c(c3cc(ccc3n2Cc4ccnc(c4)N)Cl)C5=CC=CNC5=O	08F	1-[(2-aminopyridin-4-yl)methyl]-5-chloro-n-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide
+C[C@@H](c1ccccc1)NC(=O)Nc2cc3c(cn[nH]3)c(n2)CO	08G	1-[4-(hydroxymethyl)-1h-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1s)-1-phenylethyl]urea
+Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl	08H	8-chloro-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
+CCc1c(c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c\5/c6n/c(c\c1[nH]2)/C(=C6C(=O)[C@@H]5C(=O)OC)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)C(=C3C(=O)C)C)C	08I	trans-geranyl bacteriopheophytin a
+Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl	08J	8-chloro-6-(2-fluorophenyl)-1-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine
+Cc1nnc2n1-c3ccc(cc3C(=NN2C)c4ccccc4)Cl	08K	8-chloro-1,4-dimethyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine
+c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)C=CC(=O)N[C@H](C(=O)N2)CC3CCCCC3)C(=O)O)CCCNC(=O)c4cnccn4	08L	(2s,5s,8s,13s,16z)-5-benzyl-2-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxylic acid
+c1cnc(cn1)C(=O)NCCC[C@@H](C(=O)O)N	08M	n~5~-(pyrazin-2-ylcarbonyl)-l-ornithine
+C([C@H](C(=O)O)NC(=O)C(=O)O)S	08P	n-(carboxycarbonyl)-d-cysteine
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(NCCS)O)O	08Q	5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3OC	08R	6-{[(3s,4s)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3c(c4ccc(cc4s3)F)Cl	08S	3-chloro-6-fluoro-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]-1-benzothiophene-2-carboxamide
+[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F	08T	[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium 
+C([C@H]1[C@@H]([C@H]([C@H](O1)NC(=O)CBr)O)O)O	08U	2-bromanyl-n-[(2s,3r,4r,5s)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide
+CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C	08W	n-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1h-imidazole-4-carboxamide
+c1ccc(cc1)C=CC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)/C=C\C(=O)N2)C(=O)N)CCCNC(=O)c3cnccn3)CC4CCCCC4	08X	(2s,5s,8s,13s,16z)-5-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-2-(3-phenylprop-2-en-1-yl)-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxamide
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O	08Y	bromoergocryptine
+c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)N)N	08Z	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide
+COc1ccc2c(c1OC)nc([n+]3c2[nH]cc3)NC(=O)c4cccnc4	090	n-(2,3-dihydro-7,8-dimethoxyimidazo[1,2-c] quinazolin-5-yl)nicotinamide
+c1ccc2c(c1)[C@]3(CCNC3)C(=O)N2	091	(3s)-spiro[indole-3,3'-pyrrolidin]-2(1h)-one
+COC(=O)[C@H]1C[C@@]2(CN1)c3ccccc3NC2=O	092	methyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+CC1=C(SC(=NC(=O)C)N1)c2ccc(c(c2)S(=O)(=O)NCCO)Cl	093	n-(5-(4-chloro-3-(2-hydroxy-ethylsulfamoyl)- phenylthiazole-2-yl)-acetamide
+c1cc(c(c(c1)Cl)N2c3cc(c(nc3CNC2=O)Sc4ccc(cc4F)F)C5=CCNCC5)Cl	094	1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]-7-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1h)-one
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4CCOCC4)C(=O)N2	095	tetrahydro-2h-pyran-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+CN1CCN(CC1)CCCc2cc(c(cc2[C@@H]3N(C(=O)CS3)c4cccnc4)OC)O	096	(2r)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-one
+CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C	097	(2s,3r)-n~4~-[(1s)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-n~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)[C@@H](C(=O)NO)NCC4CC4)O	098	(3r)-n~2~-(cyclopropylmethyl)-n~1~-hydroxy-3-(3-hydroxybenzyl)-n~4~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-l-aspartamide
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)CC(=O)NO)O	099	(2r)-n~4~-hydroxy-2-(3-hydroxybenzyl)-n~1~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]butanediamide
+c1ccc(cc1)COC(=O)[C@H]2C[C@@]3(CN2)c4ccccc4NC3=O	09A	benzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(cc4)C#N)C(=O)N2	09B	4-cyanobenzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1cc2c(cc1Br)[nH]cc2[C@H]3C(=O)NCC(N3)c4c[nH]c5c4ccc(c5)Br	09C	(3s,5r)-3,5-bis(6-bromo-1h-indol-3-yl)piperazin-2-one
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCSc5c4cc(cc5)Br)C(=O)N2	09D	(4s)-6-bromo-3,4-dihydro-2h-thiochromen-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCS(=O)(=O)c5c4cc(cc5)Br)C(=O)N2	09E	(4s)-6-bromo-1,1-dioxido-3,4-dihydro-2h-thiochromen-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4(CCCCC4)C#N)C(=O)N2	09F	1-cyanocyclohexyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(c(c4)Br)C#N)C(=O)N2	09G	3-bromo-4-cyanobenzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc(c(c1)NC(=O)c2csc(n2)c3ccc4c(c3)CCO4)N5CCNCC5	09H	2-(2,3-dihydro-1-benzofuran-5-yl)-n-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3c(o2)cccc3F)N4CCCCCC4)N	09I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide
+CCN1C(=O)C(=Cc2n1c(nn2)c3c(cccc3Cl)F)c4cc(ccc4C)C(=O)NC5CC5	09J	3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-n-cyclopropyl-4-methylbenzamide
+c1cc(ccc1CC(=O)Nc2cc(n[nH]2)C3CC3)OC(F)(F)F	09K	n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
+c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F	09L	4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2h)-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccccc3N(C2=O)O)O	09M	(5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)O)O	09N	(11z,14z)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
+c1cc(cnc1)N2CCCNCC2	09O	1-(pyridin-3-yl)-1,4-diazepane
+CCOc1cc(cnc1)N2CCCNCC2	09P	1-(5-ethoxypyridin-3-yl)-1,4-diazepane
+c1ccc(cc1)c2cc(cnc2)N3CCCNCC3	09Q	1-(5-phenylpyridin-3-yl)-1,4-diazepane
+c1cc(ncc1N2CCCNCC2)Br	09R	1-(6-bromopyridin-3-yl)-1,4-diazepane
+CCOc1cc(cnc1Br)N2CCCNCC2	09S	1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane
+Cc1cc2c(cc1C)n(cn2)Cc3ccc(c(c3)Cl)Cl	09T	1-(3,4-dichlorobenzyl)-5,6-dimethyl-1h-benzimidazole
+COCC1CC1	09U	(methoxymethyl)cyclopropane
+C1CC1CO	09V	cyclopropylmethanol
+C([C@H]1[C@@H]([C@H]([C@@H](O1)NC(=O)CBr)O)O)O	09X	2-bromanyl-n-[(2r,3r,4r,5s}-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide
+CC(C)Nc1nc(c(s1)C(=O)c2cccnc2)N	09Z	[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N	0A	l-adenosine-5'-monophosphate
+C[C@](CC(=O)O)(C(=O)O)N	0A0	2-methyl-l-aspartic acid
+COc1ccc(cc1)C[C@@H](C(=O)O)N	0A1	o-methyl-l-tyrosine
+[B-]([C@H](CCCCN)N)(O)(OCC)OCC	0A2	[(1r)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-)
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c2csc(n2)N)C(=O)O	0A3	(2r)-2-[(r)-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2cccs2	0A4	(2r)-2-{(r)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C(CC(=O)O)CBr	0A5	4-bromobutanoic acid
+CCOC(=O)[C@@H](CC(=O)O)O	0A6	(3r)-4-ethoxy-3-hydroxy-4-oxobutanoic acid
+c1ccc(c(c1)CC(=O)O)C(=O)O	0A7	2-(carboxymethyl)benzoic acid
+C(CCl)NC(=O)SC[C@@H](C(=O)O)N	0A8	s-[(2-chloroethyl)carbamoyl]-l-cysteine
+COC(=O)[C@H](Cc1ccccc1)N	0A9	methyl l-phenylalaninate
+CC(C)[C@@H](C(=O)OC)N	0AA	methyl l-valinate
+C[C@H]1C=COC(=O)[C@H]1N	0AB	(3s,4s)-3-amino-4-methyl-3,4-dihydro-2h-pyran-2-one
+c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N	0AC	(4s,5s)-5-amino-4-hydroxy-6-phenylhexanoic acid
+CCCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	0AD	2'-deoxy-n-propylguanosine 5'-(dihydrogen phosphate)
+CC(C)[C@H]1C2(CCC2)C[NH+]1Cc3ccc4c(c3)cccc4NC[C@@]5(CCCN(C5)c6cc(ncn6)NCc7ccccc7)O	0AE	(3~{r})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{s})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol
+c1cc2c(c[nH]c2c(c1)O)C[C@@H](C(=O)O)N	0AF	7-hydroxy-l-tryptophan
+CCOC(=O)N[C@@H](CC(C)C)C(=O)O	0AG	n-(ethoxycarbonyl)-l-leucine
+C([C@@H](C(=O)O)N)OC(=O)CBr	0AH	o-(bromoacetyl)-l-serine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)C(=O)O)O)O	0AI	methyl 2-(acetylamino)-2-deoxy-alpha-d-galactopyranosiduronic acid
+CCS[C@H](C)SC	0AJ	(1r)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane
+C(CCl)OC(=O)C[C@@H](C(=O)O)N	0AK	(2s)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O	0AL	4-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+CCCSSCCCNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	0AM	2'-deoxy-n-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)cccc2C[C@@H](C=O)N	0AO	(2s)-2-amino-3-naphthalen-1-ylpropanal
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)OP(=O)(O)O	0AP	2'-deoxycytidine 3',5'-bis(dihydrogen phosphate)
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)C	0AR	n-[n-[(4s)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	0AS	asiatic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O	0AT	2-(acetylamino)-2-deoxy-6-o-phosphono-alpha-d-glucopyranose
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)I	0AU	5-iodouridine 5'-(dihydrogen phosphate)
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	0AV	2'-o-methyladenosine 5'-(dihydrogen phosphate)
+B([C@H](CCCCN)N)(OCC)OCC	0AY	diethyl [(1r)-1,5-diaminopentyl]boronate
+C1[C@H](CN[C@H]1C(=O)O)O	0AZ	(4r)-4-hydroxy-d-proline
+CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(c3)c4cccc(c4)OC	0B1	2-amino-6-[(1s,2r)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3h)-one
+C[C@H](CO)C(=O)[C@H](CC1CCCCC1)N	0B2	(2s,4r)-2-amino-1-cyclohexyl-5-hydroxy-4-methylpentan-3-one
+C[C@]1(CC(=O)N(C(=N1)N)C)CCc2ccccc2	0B3	(6r)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3h)-one
+C[C@]1(CC(=O)N(C(=N1)N)C)[C@@H]2C[C@H]2c3ccccc3	0B4	(6s)-2-amino-3,6-dimethyl-6-[(1r,2r)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3h)-one
+C[C@]1([C@H]([C@H](OC(=N1)N)C(C)(F)F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF	0B5	~{n}-[3-[(4~{r},5~{r},6~{s})-2-azanyl-6-[1,1-bis(fluoranyl)ethyl]-5-fluoranyl-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+C[C@]1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	0B6	~{n}-[3-[(4~{s})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NC[C@@]4(CCCN(C4)c5c6cc[nH]c6ncn5)O	0BA	2-oxidanyl-n-[[(3r)-3-oxidanyl-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3s)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
+Cc1cccc2c1c(cs2)CN3c4ccccc4N(C3=O)CCCC(=O)O	0BB	4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}butanoic acid
+CCOc1ccc(cc1NC(=O)c2cc(cc(c2)c3n[nH]nn3)c4cscn4)C(=O)C	0BC	~{n}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{h}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide
+CC(C)CC(CC(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)CO)O)O)O)O)O	0BD	3-methyl-1-(2-methylpropyl)butyl 4-o-beta-l-gulopyranosyl-beta-d-glucopyranoside
+[Be+2]	0BE	beryllium
+c1ccc2c(c1)cccc2c3ccc(o3)CN4C(=O)CSC45CCN(CC5)C(=O)CCl	0BF	8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
+CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6cccc7c6ccs7)O	0BH	n-[[(3r)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3s)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
+CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O	0BI	(4s)-4-[(1r)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+Cc1cc(c(c(c1)O)C(=O)c2c(cccc2O)O)C(=O)OC	0BJ	methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate
+C[C@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc(ncn3)OC)S(=O)(=O)C	0BK	n-{3-[(2s,5r)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide
+[H]/N=C(\N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)C	0BM	n-(methylsulfonyl)-d-phenylalanyl-n-[(1-carbamimidoylpiperidin-4-yl)methyl]-l-prolinamide
+[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)N)/N	0BN	4-carbamimidoyl-l-phenylalanine
+c1ccnc(c1)c2ccccn2	0BP	2,2'-bipyridine
+c1ccc2c(c1)[nH]c(n2)C3=NNC(=O)N3	0BQ	5-(1h-benzimidazol-2-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+CC[C@H]1C[N@]2CC[C@@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)O	0BR	(4beta,8alpha,9r)-6'-methoxy-10,11-dihydrocinchonan-9-ol
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)I)P(=O)(O)O	0BT	1-{2-deoxy-3,5-o-[(4-iodophenyl)(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	0BU	8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic  acid
+c1ccc2c(c1)cc(c3c2cccc3)CC=O	0BV	phenanthren-9-ylacetaldehyde
+CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(c3)OC)C(=O)OC	0BW	methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
+c1ccc(cc1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0BX	4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Cl	0BY	4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)F	0BZ	4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
+C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O	0C	l-cytidine-5'-monophosphate
+c1ccc(cc1)c2ccccc2Nc3ccnc(n3)Nc4ccc(cc4)C(=O)O	0C0	4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid
+CS(=O)(=O)NC(=O)c1c(c2c(n1Cc3cc(ccc3F)F)ccc4c2OCC4)C5=CC=CNC5=O	0C1	6-(2,5-difluorobenzyl)-n-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-e]indole-7-carboxamide
+C[C@@H]1COc2c1ccc3c2c(c(n3Cc4cc(ccc4F)F)C(=O)NS(=O)(=O)C)C5=CC=CNC5=O	0C2	(3s)-6-(2,5-difluorobenzyl)-3-methyl-n-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-e]indole-7-carboxamide
+c1ccc(c(c1)C(F)(F)F)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0C3	4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Br	0C4	4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
+c1ccc(c(c1)C#N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0C5	4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
+c1ccc(c(c1)Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)O)F)Cl	0C6	4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)c4[nH]nnn4)Cl	0C7	n~4~-(2-chlorophenyl)-n~2~-[4-(1h-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)OC(F)(F)F	0C8	4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid
+c1ccc(c(c1)C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0C9	2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
+[H]/N=C(\c1ccc2ccc(cc2c1)Cn3c4cc(cc(c4cc3C(C)C)C(=O)O)OC5CCN(CC5)C(=N)C)/N	0CA	1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1h-indole-4-carboxylic acid
+[H]/N=C(\C)/N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4ccc(cc4c3)/C(=N\[H])/N)S(=O)(=O)CC(=O)O	0CB	{[(7-carbamimidoylnaphthalen-2-yl)methyl][4-({1-[(1e)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]sulfamoyl}acetic acid
+C[C@@]12C[C@H]3[C@]4(C=CC(=O)C([C@@H]4CC[C@@]35[C@@]16COC(=O)C6=C[C@](C5)(C2=O)C)(C)C)C	0CC	andiconin d
+CC(C)n1c2ccc(cc2c3c1c4c(c5c3C=NC5=O)-c6cn(nc6CC4)C)[C@@H]7CCCCO7	0CE	2-methyl-11-(1-methylethyl)-8-[(2s)-tetrahydro-2h-pyran-2-yl]-2,11,12,13-tetrahydro-4h-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one
+C#CCOP(=O)(O)OP(=O)(O)O	0CG	prop-2-yn-1-yl trihydrogen diphosphate
+C(CCOP(=O)(O)OP(=O)(O)O)CO	0CH	4-hydroxybutyl trihydrogen diphosphate
+CCC(=O)N1CC[C@@H](C1)Oc2c3ccccc3cc(n2)C4=NNC(=O)N4	0CI	5-(1-{[(3s)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+CC(=O)CCCOP(=O)(O)OP(=O)(O)O	0CJ	4-oxopentyl trihydrogen diphosphate
+c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F	0CK	4-[1-cyclohexyl-4-(4-fluorophenyl)-1h-imidazol-5-yl]pyrimidin-2-amine
+C(CCl)CCl	0CL	1,3-dichloropropane
+CC#CCOP(=O)(O)OP(=O)(O)O	0CM	but-2-yn-1-yl trihydrogen diphosphate
+C=C=CCOP(=O)(O)OP(=O)(O)O	0CN	buta-2,3-dien-1-yl trihydrogen diphosphate
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@H](CO4)CC(C)(C)O)C	0CO	(1s,3r,5z,7e,14beta,17alpha,23r)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
+COc1ccc(cc1O[C@H]2C[C@@H]3CC[C@H]2C3)C4CNC(=O)NC4	0CP	5-{3-[(1s,2s,4r)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1h)-one
+COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O	0CR	momo-2-[4-(2-(4-(methoxy)-1h-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1h-1,2,3-triazol-1-y l)propanoic acid]-cryptophane-a
+C([C@@H](C(=O)O)N)[S@@](=O)OO	0CS	3-[(s)-hydroperoxysulfinyl]-l-alanine
+c1ccc2c(c1)[nH]nn2	0CT	1h-benzotriazole
+c1c(cc(c2c1nn[nH]2)Cl)Cl	0CU	5,7-dichloro-1h-benzotriazole
+Cc1cc(cc2c1nc3c(c2N4CCNCC4)c(n[nH]3)C)OC	0CV	6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1h-pyrazolo[3,4-b]quinoline
+CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O)C)O	0CX	(2r,3as,5ar,5bs,9s,13s,14r,16as,16br)-9-ethyl-2,13-dihydroxy-14-methyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-1h-as-indaceno[3,2-d]oxacyclododecine-7,15-dione
+c1cc(ccc1C(c2ccc(cc2)O)(C(F)(F)F)C(F)(F)F)O	0CZ	4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol
+c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)O)O	0D1	4,4'-(2,2-dichloroethene-1,1-diyl)diphenol
+c1ccc(cc1)[C@@]2(C(=O)NC(=O)N2)[C@@]3(C(=O)NC(=O)N3)c4ccccc4	0D2	(4r,4's)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone
+	0D3	n-[(2s)-2-benzyl-3-sulfanylpropanoyl]-l-alanylglycinamide
+CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCNCC3	0D6	n-{(1r)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-n~2~-(piperazin-1-ylcarbonyl)-l-leucinamide
+C(CN)CO	0D8	3-aminopropan-1-ol
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N	0DA	2'-deoxy-l-ribo-furanosyl adenosine-5'-monophosphate
+	0DB	n-({1-[(2s)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-l-tryptophan
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	0DC	2'-deoxy-l-ribo-furanosyl cytosine-5'-monophosphate
+CN1c2cc(cnc2NC1=O)c3ccccc3	0DF	1-methyl-6-phenyl-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one
+c1nc2c(n1[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	0DG	2'-deoxy-l-ribo-furanosyl guanine-5'-monophosphate
+c1cc(cc(c1)Cl)C[C@H](C(=O)N2CCN(CC2)C(=O)c3cc(ccc3F)F)N	0DI	(2r)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one
+CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N	0DJ	3-(1-methyl-2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)benzamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O	0DN	5'-deoxy-5'-fluorothymidine
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@@]3CC[C@H](C[C@H]3C(=O)NC(C)(C)C)S(=O)(=O)c4ccncc4)O)C	0DO	(2r,4s)-n-tert-butyl-1-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxamide
+c1ccc(cc1)c2c(snn2)N	0DQ	4-phenyl-1,2,3-thiadiazol-5-amine
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N	0DS	n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-l-leucyl-l-phenylalaninamide
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O	0DT	2'-deoxy-l-ribo-furanosyl thymidine-5'-monophosphate 
+CC1=CC(=C(C(=O)N1C)c2ccc(cc2)C[C@@H](C(=O)O)NC(=O)c3c(cccc3Cl)Cl)C(F)(F)F	0DU	n-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-l-phenylalanine
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)C(C)C)C)CO	0DV	(4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrod icyclopenta[a,d][8]annulen-4-yl alpha-d-gulopyranoside
+CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCOCC6)NCCCN7CCN(CC7)C)CCCN8CCOCC8	0DX	4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
+	0DY	n~1~-(3-aminobenzyl)-n~2~-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-aspartamide
+CC(C)(CO)[C@H]1CC2=C(CO1)c3ccccc3C(=O)N2	0E0	(3r)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6h-pyrano[4,3-c]isoquinolin-6-one
+CC(C)[C@H]1Cc2c(cc(c(n2)O)C#N)CO1	0E1	(7r)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5h-pyrano[4,3-b]pyridine-3-carbonitrile
+CC[C@](C)([C@@H](C(=O)O)N)O	0E5	(2s,3r)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid
+c1ccc(cc1)COC[C@@H](C(=O)CCl)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)OCc2ccccc2	0E6	amino{[(4s)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2s)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium
+[H]/N=C(\N)/NCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC	0E7	methyl n-(4-carbamimidamidobutanoyl)-l-phenylalanyl-l-allothreonyl-l-phenylalaninate
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O	0E8	di-tert-butyl {iminobis[(2s,3s)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate
+	0E9	benzyl [(1r,4s,6s,9r)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate
+CN[C@@H]([C@@H](c1ccc(c(c1)O)O)O)C(=O)O	0EA	(betar)-beta,3-dihydroxy-n-methyl-l-tyrosine
+COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3	0EC	6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine
+	0ED	n-[(1s)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-l-leucyl-n-(2-morpholin-4-ylethyl)-l-phenylalaninamide
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)NC(=O)O)NC(=O)OC(C)(C)C	0EF	n-(tert-butoxycarbonyl)-l-alanyl-n-[(1r)-1-(carboxyamino)-2-phenylethyl]-l-prolinamide
+	0EG	n-(tert-butoxycarbonyl)-l-alanyl-n-[(1r)-1-(dihydroxyboranyl)-2-methylpropyl]-l-prolinamide
+CCCCCCC[C@](C)(C(=O)O)N	0EH	(2r)-2-amino-2-methylnonanoic acid
+Cn1c(c(nc1SC)c2ccc(cc2)F)c3ccnc(c3)Nc4ccc/5c(c4)CCc6cc(ccc6/N=N5)NC(=O)CCCN(C)C	0EI	4-(dimethylamino)-n-[(5z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide
+C(C(=O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O	0EJ	(2-oxo-2-{[(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid
+	0EK	6-ammonio-n-{[(2r,3r)-3-{[n-(tert-butoxycarbonyl)-l-phenylalanyl-3-(1h-imidazol-3-ium-4-yl)-l-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-l-norleucyl-l-phenylalanine
+	0EL	6-ammonio-n-[(2r,4r,5r)-5-{[n-(tert-butoxycarbonyl)-l-phenylalanyl-3-(1h-imidazol-3-ium-4-yl)-l-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-l-norleucylphenylalanine
+	0EM	n-(tert-butoxycarbonyl)-l-phenylalanyl-n-{(1s)-1-[(r)-hydroxy(2-{[(2s)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1h-imidazol-3-ium-4-yl)-l-alaninamide
+CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3ccco3	0EN	n-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-n-(4-tert-butylphenyl)furan-2-carboxamide
+CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H]([C@H](CC1CCCCC1)NC(=O)CC[C@@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O	0EO	(2s)-2-[[(3s,4s)-5-cyclohexyl-4-[[(4s,5s)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino] -3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid
+Cc1cc(c(c(c1O)C(=O)OC)C(=O)c2c(cccc2O)O)O	0ER	methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate
+CCCCCCCCC[C@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	0ET	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-[(2r)-2-oxidanylundecyl]sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate
+CCNC(=O)Nc1c(c2ccccc2s1)C(=O)N3CCC(CC3)[N@]4CCC[C@@]5(C4)CC(OC5=O)(C)C	0EU	1-[3-({4-[(5s)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea
+c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O	0EV	4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CCS(=O)(=O)[C@@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OC(O4)(F)F)C	0EW	n-{3-[(2s,5r)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2h-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
+c1ccc(cc1)CCNc2[nH]c3cc4c(c(c3n2)CCNCc5ccccc5)N=C(NC4=O)N	0EX	6-amino-4-[2-(benzylamino)ethyl]-2-[(2-phenylethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=CC(=O)NC3=O	0EY	1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	0EZ	tert-butyl [(1s,2s)-1-benzyl-2-hydroxy-3-{[(8s,11r)-8-[(1r)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]carbamate
+CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3nccc(n3)c4cccnc4	0F0	3-{[4-(dimethylamino)butanoyl]amino}-n-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
+c1cc2c(cc1Cl)sc(c2Cl)C(=O)O	0F1	3,6-dichloro-1-benzothiophene-2-carboxylic acid
+CCC(CC)(c1cc2c(cc([nH]2)c3c4c(ccs4)[nH]n3)c(c1)OCCN5CCOCC5)O	0F2	3-[4-(2-morpholin-4-ylethoxy)-2-(1~{h}-thieno[3,2-c]pyrazol-3-yl)-1~{h}-indol-6-yl]pentan-3-ol
+c1cc(ccc1NS(=O)(=O)N)S(=O)(=O)N	0F3	4-(sulfamoylamino)benzenesulfonamide
+c1cc(cc(c1)NC(=O)Nc2cccc(c2)Nc3ccc\4c(c3)NC(=O)/C4=C\c5ccc[nH]5)C(F)(F)F	0F4	1-(3-{[(3z)-2-oxo-3-(1h-pyrrol-2-ylmethylidene)-2,3-dihydro-1h-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea
+c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)/C=C\4/C(=O)NC(=O)S4	0F5	(5~{z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
+	0F7	n-[(benzyloxy)carbonyl]-l-isoleucyl-n-[(1r)-1-(carboxycarbonyl)-3,3-difluoropropyl]-l-leucinamide
+c1cc(c(cc1Cl)c2cc[nH]n2)O	0F9	4-chloro-2-(1h-pyrazol-3-yl)phenol
+CC(C)C[C@@H](C(=O)N)NP(=O)(O)O	0FA	n~2~-phosphono-l-leucinamide
+CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc2ccc(cc2)F)N	0FG	d-leucyl-n-(4-fluorobenzyl)-l-phenylalaninamide
+c1ccc(cc1)NC=S	0FI	n-phenylthioformamide
+c1cc2ccc(nc2c(c1)O)C(=O)N	0FK	8-hydroxyquinoline-2-carboxamide
+C([C@@H](C(=O)O)NC=O)N	0FL	3-amino-n-formyl-l-alanine
+c1ccc2c(c1)C(=O)C(C2=O)C#N	0FN	1,3-dioxo-2,3-dihydro-1h-indene-2-carbonitrile
+c1cc2c(cc1Br)C(=CC(=O)O2)O	0FO	6-bromo-4-hydroxy-2h-chromen-2-one
+CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CCCCCN)O	0FP	n-(6-aminohexanoyl)-3-methyl-l-valyl-3-methyl-l-valyl-n~1~-[(2s,3s)-3-hydroxy-4-oxo-4-{[(1r)-1-phenylpropyl]amino}butan-2-yl]-n~4~,n~4~-dimethyl-l-aspartamide
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O	0FQ	phenacyl coenzyme a
+c1ccc2c(c1)c(c[nH]2)C(=O)c3ccco3	0FR	furan-2-yl(1h-indol-3-yl)methanone
+c1cc(cc(c1)C(F)(F)F)/C=C\2/C(=O)NC(=O)S2	0FS	(5z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione
+CC1=CN(C(=O)NC1=O)Cc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O	0FT	1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
+c1(c(nc(nc1O)N)N)N	0FU	2,5,6-triaminopyrimidin-4-ol
+CC(=CCC/C(=C(/COP(=O)(O)OP(=O)(O)O)\F)/C)C	0FV	(2z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
+c1ccc(cc1)c2ccc(cc2)C(=O)Nc3cccc(c3)Oc4ccc(c(c4)C(=O)O)C(=O)O	0FW	4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N	0FX	dtdp-4-amino-4,6-dideoxyglucose
+Cc1cn2c(c[nH+]c2c(n1)Nc3cc(ns3)C[NH+]4CCC[C@H](C4)C)c5cnn(c5)CC(=O)Nc6cc[nH+]cc6F	0FY	3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1h-pyrazol-4-yl)-6-methyl-8-[(3-{[(1r,3r)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium
+COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N	0FZ	4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
+c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	0G	l-guanosine-5'-monophosphate
+c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=C(C(=O)NC3=O)F	0G0	1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
+CCC(CC)(c1ccc2c(c1)[nH]c(c2c3ccc(cc3)OC)c4c5c(ccs5)[nH]n4)O	0G1	3-[3-(4-methoxyphenyl)-2-(1h-thieno[3,2-c]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol
+CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)c5ccccc5)n[nH]3)O	0G2	3-[2-(5-phenyl-2h-thieno[3,2-c]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol
+CCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3cc(ccn3)c4c(nc(n4C)SC)c5ccc(cc5)F	0G3	n-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=C(C(=NC2=O)N)F	0G4	[[[[(2r,5s)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy -oxidanyl-phosphoryl]amino]phosphonic acid
+c1cc(cc(c1)I)C(=O)NCCC[C@@H](C(=O)O)N	0G5	n~5~-(3-iodobenzoyl)-l-ornithine
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N	0G6	d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-prolinamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N	0G7	d-phenylalanyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-l-prolinamide
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	0G8	[(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate
+C/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O	0GA	3-{[(1z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid
+Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F	0GD	6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine
+[H]/N=C(\\N)/NCCCC(C(CCl)O)NC(=O)CNC(=O)C(CCC(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C	0GE	n-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-l-alpha-glutamyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide
+Cc1cc(ccc1Br)C(=O)O	0GF	4-bromo-3-methylbenzoic acid
+COc1cc(ccc1O)CC(=O)NC[C@H](C(=O)O)N	0GG	3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-d-alanine
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)CN[C@@H]([C@@H](C)O)C(=O)NCC(C)C	0GH	n-[(2s)-1-({(2s,3r)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+C(C[C@@H]([C@@H](CCl)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N)CNC(=[NH2+])N	0GJ	l-alpha-glutamyl-n-{(1s)-4-{[amino(iminio)methyl]amino}-1-[(1s)-2-chloro-1-hydroxyethyl]butyl}glycinamide
+CC(C)C[C@H]1[C@H](CC(=O)N[C@H](C(=O)NCc2cccc(c2)CNC(=O)CC[C@@H](C(=O)N1)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)CC(C)C)O	0GM	n-[(5s,9s,10s,13s)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide
+CCCN1CCC[C@@]12CCN(C2=O)[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O	0GO	(2s)-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5s)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide
+CC[C@H](C)[C@@H](C(=O)NCc1cnc(nc1N)C)NC(=O)C[C@@H]([C@H](CC2CCCCC2)NC(=O)CCNC(=O)[C@H](Cc3ccccc3)NC(=O)N4CCC(CC4)N)O	0GQ	4-amino-n-{(1r,8r,9r,13r)-16-(4-amino-2-methylpyrimidin-5-yl)-1-benzyl-8-(cyclohexylmethyl)-9-hydroxy-13-[(1s)-1-methylpropyl]-2,6,11,14-tetraoxo-3,7,12,15-tetraazahexadec-1-yl}piperidine-1-carboxamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)c3ccco3	0GR	n-(furan-2-ylcarbonyl)-l-leucyl-l-tryptophan
+CC(c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)Br)N)F)(F)F	0GS	(3s,4s,5r)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F	0GT	(3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1h-indol-5-yl]methyl}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc4c(c(c3)F)NCC45CCC(CC5)(F)F	0GU	(3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C	0GV	(3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one
+CCOc1c2ccccc2cc(n1)C3=NNC(=O)N3	0GW	5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+CCCOc1c(c(c(s1)C(=O)N2[C@@H]3CC[C@H]2CC(C3)c4cc(ccc4F)CN)C)Br	0GX	{(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone
+C(=C(\C=C(\C(=O)O)/O)/C(=O)O)\C(=O)O	0GY	(1e,3z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid
+C1=C(C=C(OC1=O)C(=O)O)C(=O)O	0GZ	2-oxo-2h-pyran-4,6-dicarboxylic acid
+CCCCO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O	0H0	carbohydrate component from a pentavalent n-acetylneuraminic acid conjugate
+c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)N=C=S)C=CC=C4)C(=O)NC2=O	0H2	[1,3-dioxo-6-(pyridin-2-yl-kappan)-2,3-dihydro-1h-isoindol-5-yl-kappac~5~][(thioxomethylidene)azanido-kappan](1,4,7-trithionane-kappa~3~s~1~,s~4~,s~7~)ruthenium
+CCCOCCN1c2cc(ncc2C(=NC1=O)NCCOC(C)C)c3ccc(nc3)OC	0H3	7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1h)-one
+Cc1ccc(nc1)NC(=O)[C@H](CC2CCCC2)N3C=CC(=CC3=O)C(F)(F)F	0H4	(2s)-3-cyclopentyl-n-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2h)-yl]propanamide
+Cn1ccc(n1)Nc2c3cc(ccc3ncn2)OC	0H5	6-methoxy-n-(1-methyl-1h-pyrazol-3-yl)quinazolin-4-amine
+c1cc(ncc1C(=O)O)NC(=O)[C@H](CC2CCCC2)n3cc(nc3)C(F)(F)F	0H6	6-({(2s)-3-cyclopentyl-2-[4-(trifluoromethyl)-1h-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid
+c1cc(sc1C(c2ccc(s2)Cl)([C@H]3CN4CCC3CC4)O)Cl	0H7	(3r)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol
+CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)P(=O)(O)O)NC(=O)CCC(=O)O	0H8	n-(3-carboxypropanoyl)-l-valyl-n-[(1r)-5-amino-1-phosphonopentyl]-l-prolinamide
+COc1ccc(cc1)CNCCS(=O)(=O)O	0H9	2-[(4-methoxybenzyl)amino]ethanesulfonic acid
+c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3	0HD	1-(1h-indazol-5-yl)-3-(2-phenylethyl)urea
+c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])Br	0HG	n-[(4s)-4-ammonio-4-carboxybutanoyl]-s-(4-bromobenzyl)-l-cysteinylglycine
+CCCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	0HH	l-gamma-glutamyl-s-nonyl-l-cysteinylglycine
+CCCCCCCCCCCCCCCCCCCCC[C@@H]([C@H](CCCCCCCCCCCCCCCCC[C@@H]1C[C@H]1CCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	0HJ	6-o-[(2s)-2-{(1s)-18-[(1r,2r)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-d-glucopyranosyl alpha-d-glucopyranoside
+C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(c4cccs4)(c5cccs5)O)C	0HK	(1r,2r,4s,5s,7s)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane
+[H]/N=C(\c1cc(cs1)CN2CC[C@H](C2=O)N(Cc3ccsc3)S(=O)(=O)c4ccc5ccc(cc5c4)OC)/N	0HL	4-{[(3r)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide
+c1ccc(cc1)Cn2ccnc2C[n+]3cccc(c3C(=O)Nc4ccc(cc4)CN)O	0HM	2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1h-imidazol-2-yl)methyl]-3-hydroxypyridinium
+c1cc2c(cc1C(=O)O)OCO2	0HN	1,3-benzodioxole-5-carboxylic acid
+c1cc2c(cc1C(=O)O)nsn2	0HO	2,1,3-benzothiadiazole-5-carboxylic acid
+C=[N+]=[N-]	0HQ	diazomethane
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C(C)C)NC[C@@H]([C@H](CC(C)C)N)O	0HT	methyl n-[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-valyl-l-isoleucyl-l-phenylalaninate
+c1ccc2c(c1)c(ccc2[N+](=O)[O-])Nc3cccc(c3)C(=O)O	0HV	3-[(4-nitronaphthalen-1-yl)amino]benzoic acid
+CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H]2[C@@H](O2)C(=O)OCC	0HW	n-[(3s)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-isoleucyl-l-proline
+CCC(CC)O[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C	0HX	pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid
+C[C@H](CC(=O)OC)C1=NNC2=C(C1=O)C(=O)NC(=N2)N	0HY	methyl (3r)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoate
+	0HZ	amino({3-[(3s,8as)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium
+C[C@]12C[C@@H]3C(=O)OC[C@]34[C@](C1=O)(C[C@@H]5[C@@]4(C2)CC[C@@H]6[C@@]5(C=CC(=O)OC6(C)C)C)C	0I3	andilesin c
+CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)C(=O)CF)NC(=O)N2CCOCC2	0I5	n-[(3s)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-n~2~-(morpholin-4-ylcarbonyl)-l-leucinamide
+c1ccc(cc1)n2c(c(cn2)C(=O)O)C(F)(F)F	0IM	1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
+c1cc2ccc(c(c2nc1)O)Cc3cccnc3	0IN	7-(pyridin-3-ylmethyl)quinolin-8-ol
+C[C@H]1C(=O)[C@]2([C@H](C(=O)O1)[C@]3(C(=O)C(=C4[C@]([C@@]3(CC2=C)O)(CCC(=O)C4(C)C)C)O)C)C	0IP	terretonin c
+c1ccc(cc1)CS(=O)(=O)N[C@H]2CCCN(C2=O)CC(=O)N[C@@H](CCCNC(=[NH2+])N)C=O	0IT	amino({(4s)-4-[({(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium
+	0IU	(2s)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n~1~-[(1s,2r,3r)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-n~4~-[2-(d imethylamino)-2-oxoethyl]-n~4~-[(1s)-1-phenylethyl]butanediamide
+[H]/N=C(\N)/N1CCC[C@@H](C1)C[C@@H](C=O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)Cc3ccccc3	0IV	2-{(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-n-{(2s)-1-[(3r)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide
+CN1CCN(CC1)C(=O)NC(Cc2ccccc2)C(=O)NC(CCc3ccccc3)CCS(=O)(=O)c4ccccc4	0IW	nalpha-[(4-methylpiperazin-1-yl)carbonyl]-n-[(3s)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-l-phenylalaninamide
+[B-](CCC[C@@H]1[C@H](CN[C@@H]1C(=O)O)NC(=O)[C@H](C(C)C)N)(O)(O)O	0IZ	3-[(2~{s},3~{r},4~{r})-4-[[(2~{s})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
+CN1c2ccccc2C(=CC1=O)OCc3cn(nn3)C4C[C@H]5CC[C@@H](C4)[N+]5(C)C	0J0	(3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1h-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane
+CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCC	0J1	(2r)-3-{[(r)-hydroxy{[(1s,2r,3s,4s,5r,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoate
+C[C@H](CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N	0J2	(3r)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid
+CN1CCN(CC1)c2cc3c(cc(cc3NCc4cccc(c4)[N+](=O)[O-])C(F)(F)F)nc2	0J3	3-(4-methylpiperazin-1-yl)-n-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine
+C[C@H](C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O	0J4	(2r)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
+C(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O	0J5	(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid
+c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4	0J6	n-[3-(1h-tetrazol-5-yl)phenyl]-2h-indazole-5-carboxamide
+c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4	0J7	3-(pyrimidin-2-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide
+c1cc(cc(c1)[N+](=O)[O-])CNc2c3cc(cnc3nc(n2)C(F)(F)F)c4cnn(c4)C5CCNCC5	0J8	n-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
+CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N	0J9	1-tert-butyl-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc(c(c(c1)C2(CC2)C#N)Cl)C(=O)Nc3cc(ccc3F)Oc4ccc5c(n4)sc(n5)NC(=O)C6CC6	0JA	2-chloro-3-(1-cyanocyclopropyl)-n-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide
+c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4	0JB	n-[3-(1h-tetrazol-5-yl)phenyl]-1h-benzimidazole-7-carboxamide
+C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3	0JC	di-mu-iodobis(ethylenediamine)diplatinum(ii)
+c1ccc2c(c1)OC[C@H](O2)C(=O)O	0JD	(2s)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
+CCN(CC)C(=O)Nc1cn[nH]c1c2[nH]c3cc(c(cc3n2)OCC)F	0JE	3-[5-(5-ethoxy-6-fluoro-1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]-1,1-diethylurea
+Cc1ccc(cc1)CNC(=O)[C@H]2CCCN(C2)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC	0JF	(3s)-n-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide
+Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)/C=C/CO)C[C@@H](C#N)C(=O)OC	0JG	methyl (2s)-3-{4-amino-7-[(1e)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate
+Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)CCCO)C[C@@H](C#N)C(=O)OC(C)(C)C	0JH	tert-butyl (2s)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate
+Cc1c(nnn1c2ccccc2)C(=O)O	0JI	5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid
+Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC	0JJ	7-methoxy-n-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine
+c1ccc(cc1)N2CCc3c(n(nn3)Cc4ccc5c(c4)cccn5)C2=O	0JK	5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4h-[1,2,3]triazolo[4,5-c]pyridin-4-one
+Cc1cc(sn1)N2C=Cc3c(n(nn3)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)C2=O	0JL	3-{(1s)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4h-[1,2,3]triazolo[4,5-c]pyridin-4-one
+CC1([C@@H](N2[C@@H]([C@H]([C@H]2S1)NC(=O)[C@@H](c3ccccc3)C(=O)O)O)C(=O)O)C	0JM	(2s,5r,6r,7r)-6-{[(2r)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo xylic acid
+CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N	0JN	1-tert-butyl-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O	0JO	2-{[(e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid
+COc1cc2c(cc1OC)-c3c(ncn3CC2)c4cncs4	0JP	8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline
+Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC	0JQ	2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCc1cccnc1)O	0JR	(2r)-2,4-dihydroxy-3,3-dimethyl-n-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide
+CC(C)[C@@H](CCC(=O)O)N	0JT	(4r)-4-amino-5-methylhexanoic acid
+[H]/N=C\[C@H](CCC(=O)N)N	0JU	(4s,5z)-4-amino-5-iminopentanamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@H]3NC(=O)OC)O)S(=O)(=O)c4ccc(cc4)OC	0JV	methyl n-[(3s,3ar,5r,6ar)-5-[[(2s,3r)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyloxy]-3,3a,4,5,6,6a-hexahydro-2h-cyclopenta[b]furan-3-yl]carbamate
+c1cc(c(cc1/C=C(\C#N)/[C@H](N)O)O)O	0JW	(2e)-2-[(r)-amino(hydroxy)methyl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
+C(COP(=O)(O)OP(=O)(O)O)/C=C/O	0JX	(3e)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate
+CC(C)(C)C[C@@H](C(=O)O)N	0JY	4-methyl-l-leucine
+CC(C)[C@@H]1c2nc(c[se]2)C(=O)N[C@@H](c3nc(c[se]3)C(=O)N[C@@H](c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C	0JZ	(4r,11r,18r)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
+CS(=O)(=O)Nc1cccc(c1)c2cnc(c(n2)C(=O)NCC3CCNCC3)N	0K0	3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-n-(piperidin-4-ylmethyl)pyrazine-2-carboxamide
+Cn1cc(cn1)c2cccc(c2)c3cnc(c(n3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O)N	0K1	3-amino-6-[3-(1-methyl-1h-pyrazol-4-yl)phenyl]-n-[(1r,2r,3s,5s,7s)-5-hydroxyadamantan-2-yl]pyrazine-2-carboxamide
+C(CC=O)COP(=O)(O)OP(=O)(O)O	0K2	4-oxobutyl trihydrogen diphosphate
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C	0K3	(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N(C2=O)O)Oc4ccccc4)O	0K5	(5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cn1cc(cc1C(=O)N2CCN(CC2)C)Nc3ncc4cc(n(c4n3)C5CCCC5)C(=O)N	0K6	7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-3-yl}amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide
+Cc1ccc(cc1)c2nc(cs2)C(=O)O	0K7	2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
+c1ccc2c(c1)C(=O)c3ccc4c(c3C2=O)nc5c6c7c8c(c5n4)C=CC=[N]8[Ru+2]91([N]7=CC=C6)([N]2=CC=Cc3c2c2c(cc3)C=CC=[N]92)[N]2=CC=Cc3c2c2c(cc3)C=CC=[N]12	0K8	ruthenium bis-(phenanthroline) 12,17-dihydro-naphthodipyridophenazine-12,17-dione
+C[C@H](C(=O)N[C@@H](Cc1cccc(c1)c2nccs2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC	0K9	(2r)-n-{(2s,3r)-4-{[(4's)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide
+[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ag]45	0KA	silver/iron/sulfur cluster
+c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(F)(F)F)P(=O)(O)O	0KB	[2-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid
+c1ccc(c(c1)OCC(=O)NC2CCCC2)P(=O)(O)O	0KC	{2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid
+c1cc(cnc1)NC(=O)c2ccnc3c2nc([nH]3)c4ccsc4	0KD	n-(pyridin-3-yl)-2-(thiophen-3-yl)-3h-imidazo[4,5-b]pyridine-7-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccc(cc3N(C2=O)O)OC)O	0KE	(5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	0KF	n-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1h-pyrazole-5-carboxamide
+c1ccc(c(c1)OCC(=O)NC2CCCCC2)P(=O)(O)O	0KG	{2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid
+c1ccc(c(c1)OCC(=O)Nc2cccc(c2Cl)Cl)P(=O)(O)O	0KH	(2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@@H]2CCC(=O)N2)O)S(=O)(=O)c3ccc4c(c3)scn4	0KJ	[(2s)-5-oxopyrrolidin-2-yl]methyl [(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+[H]/N=C/1\NC(C(=O)N1C)(c2ccccc2)c3ccccc3	0KK	(2e)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0KL	5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)
+[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccc(c4)OC	0KM	(2e,5r)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one
+C[C@H](C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC	0KN	(2r)-n-[(2s,3r)-1-(1,3-benzodioxol-5-yl)-4-{[(4's)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide
+Cc1nc(nc(n1)N)c2cc(cnc2Nc3ccc(nc3)OC)CN4CCN(CC4)S(=O)(=O)C	0KO	4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
+[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccnc4	0KP	(2e,5r)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one
+[H]/N=C/1\N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)Cl)C4CC4	0KQ	(2e,5r)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one
+[H]/N=C/1\N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)C#CC)C4CC4	0KR	(2e,5r)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one
+CN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c2ccccc2	0KS	n-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-n-methylbenzenesulfonamide
+CN(c1ccc(cc1)[C@](c2cccn2CCOC)(C(F)(F)F)O)S(=O)(=O)c3ccccc3	0KT	n-methyl-n-(4-{(1s)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1h-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide
+Cc1c(sc(n1)[C@H]([C@@H]2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CO	0KU	n-(4-chlorophenyl)-n'-{(s)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2s)-piperidin-2-yl]methyl}ethanediamide
+[H]/N=C(\N)/N1CCC[C@H](C1)C[C@@H](C=O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)Cc3ccccc3	0KV	2-{(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-n-{(2s)-1-[(3s)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide
+Cc1c(sc(n1)[C@H]([C@@H]2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CCO	0KW	n-(4-chlorophenyl)-n'-{(s)-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl][(2s)-piperidin-2-yl]methyl}ethanediamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O	0KX	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine
+CCO[C@H](C)CN1c2c(nc[nH]2)C(=O)NC1=S	0KY	3-[(2r)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6h-purin-6-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](C3([C@@H]2C3)COP(=O)(O)O)O	0KZ	[(1r,2s,4s,5s)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(c(cc3N(C2=O)O)OC)Cc4ccccc4)O	0L0	(4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+C(CCC(=O)O)CC(=O)O	0L1	hexanedioic acid
+c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCNC(=O)CCCCCCCCCO	0L3	7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCN	0L4	5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0L5	2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate)
+C1[C@@H]([C@H](O[C@H]1N2CC(=C(NC2=O)N)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0L6	5-(5-aminopent-1-yn-1-yl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)
+c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N)C#CCCCN	0L7	2-amino-5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+c1cc(ccc1c2c(cc(cc2Br)CO)c3ccoc3)O	0L8	2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol
+Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC	0L9	(2s)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid
+C[C@@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O	0LA	(2s)-2-(6-chloro-9h-carbazol-2-yl)propanoic acid
+c1cc(ccc1N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N)F	0LB	(1r,2r)-n-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide
+c1cc2c(cc1F)c3c([nH]2)CCN(C3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N	0LC	(1r,2r)-n-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cn(nc3N(C2=O)O)c4ccccc4)O	0LD	(5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2h-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+c1ccc(cc1)CCCCO[C@@H]2C[C@H](NC2)C(=O)O	0LF	(4r)-4-(4-phenylbutoxy)-l-proline
+CC(C)c1cccc(c1)CNC[C@H]([C@@H]2COC/C=C/C[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N2)c4ccccc4)O	0LG	n-[(4s,8e,11s)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-n-methylmethanesulfonamide
+c1ccc2c(c1)ccn2CCN	0LH	2-(1h-indol-1-yl)ethanamine
+Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	0LI	3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide
+[H]/N=C(/N)\N[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl	0LJ	n-[(1r,2r)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide
+[H]/N=C(\N)/N[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl	0LK	n-[(1s,2s)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide
+c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)N	0LL	n-[(1s,2s)-2-amino-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide
+CC1(CC(CC(N1C)(C)C)NC(=O)C(=O)Nc2ccc(c(c2)F)Cl)C	0LM	n-(4-chloro-3-fluorophenyl)-n'-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanediamide
+CN1CCCCN(S(=O)(=O)NC(=O)c2ccc3c(c2)n4c(c3C5CCCCC5)-c6ccc(cc6C=C(C4)C1=O)OC)C	0LN	13-cyclohexyl-3-methoxy-17,22-dimethyl-7h-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide
+c1ccc(cc1)c2cc(cnc2)C(=O)O	0LO	5-phenylpyridine-3-carboxylic acid
+CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@H]([C@@H](CO)O)O)C(=O)O)C/C=C/c2ccccc2)O	0LP	5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2e)-3-phenylprop-2-en-1-yl]-d-glycero-l-altro-non-2-enonic acid
+c1ccc(cc1)C(c2ccccc2)N3[C@H]4CNC[C@@H]4N(C(=O)C3=O)C(c5ccccc5)c6ccccc6	0LQ	(4as,7as)-1,4-bis(diphenylmethyl)hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione
+c1ccc(cc1)[C@H]2CCNC[C@@H]2OCc3ccc4ccccc4c3	0LR	(3r,4r)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine
+c1ccc(cc1)C[C@@H]2CNC[C@H]2CN(c3ccccc3)c4ccc(cc4)Cl	0LS	n-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-n-phenylaniline
+CC(C)N(C[C@@H]1CNC[C@H]1Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC	0LT	n-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-n-(propan-2-yl)benzamide
+c1ccc2c(c1)C(c3ccccc3S2)C[C@@H](CN4CCCC4)O	0LU	(2s)-1-(pyrrolidin-1-yl)-3-(9h-thioxanthen-9-yl)propan-2-ol
+CC1(Cc2cccc(c2O1)CO)C	0LV	(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol
+c1ccc2c(c1)C(c3ccccc3S2)C[C@H](CN4CCCC4)O	0LW	(2r)-1-(pyrrolidin-1-yl)-3-(9h-thioxanthen-9-yl)propan-2-ol
+CO[C@H](C[C@H](CCCCNCc1ccc(cc1)F)C(=O)NO)c2ccc(cc2)F	0LX	(2s)-6-[(4-fluorobenzyl)amino]-2-[(2r)-2-(4-fluorophenyl)-2-methoxyethyl]-n-hydroxyhexanamide
+CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C	0LY	n-(4-bromophenyl)-n'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
+c1ccc2c(c1)CCN[C@@H]2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl	0LZ	n-(4-chloro-3-fluorophenyl)-n'-[(1s)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide
+CC1(O[C@H]([C@@H](O1)CNC(=O)C(=O)Nc2ccc(c(c2)F)Cl)CN)C	0M1	n-{[(4s,5s)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-n'-(4-chloro-3-fluorophenyl)ethanediamide
+C[C@H](CN1CC2=C(C1)c3ccccc3Nc4c2cccc4)O	0M2	(2r)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1h)-yl)propan-2-ol
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC(c3ccccc3)c4ccccc4	0M3	(3s,5r)-n-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide
+c1cc(c(cc1NC(=O)C(=O)NC[C@@]23CCC[C@@H]2CNC3)F)Cl	0M4	n-(4-chloro-3-fluorophenyl)-n'-[(3as,6as)-hexahydrocyclopenta[c]pyrrol-3a(1h)-ylmethyl]ethanediamide
+c1cc(c(cc1NC(=O)C(=O)NC[C@H]2CCN(C2)C3CC3)F)Cl	0M5	n-(4-chloro-3-fluorophenyl)-n'-{[(3r)-1-cyclopropylpyrrolidin-3-yl]methyl}ethanediamide
+CC(C)C[C@@H](C(=O)N[C@@H](CCO)CO)NC(=S)Nc1ccccc1	0M6	n-[(2s)-1,4-dihydroxybutan-2-yl]-n~2~-(phenylcarbamothioyl)-l-leucinamide
+CCCCCNCC(P(=O)(O)O)P(=O)(O)O	0M7	[2-(pentylamino)ethane-1,1-diyl]bis(phosphonic acid)
+CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O	0M8	[2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid)
+CCCNCC(P(=O)(O)O)P(=O)(O)O	0M9	[2-(propylamino)ethane-1,1-diyl]bis(phosphonic acid)
+CC1(C[C@H]2C3=CC[C@H]4[C@]([C@@]3(CC[C@]2(C=C1)C(=O)O)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)C	0MA	maslinic acid
+c1ccc(cc1)c2nc(sn2)N3CCCNCC3	0MB	1-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
+CC[C@@H]1CCCC[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O	0MC	{3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-{[(1s,2r)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
+CC[C@H]1CCCC[C@@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O	0MD	{3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-{[(1r,2s)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
+c1ccc2c(c1)C(c3ccccc3O2)CNC(=O)[C@H]4CCCNC4	0ME	(3s)-n-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide
+Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccco5	0MF	n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide
+C(C[C@@H](C(=O)C(=O)O)N)CNC(=[NH2+])N	0MG	amino{[(4s)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
+Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5cccs5	0MH	n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N]=N)O	0MI	1-[(2~{r},4~{s},5~{r})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3c4ccccc4Oc5c3cccc5	0MJ	(3s,5r)-5-{[(4-methylphenyl)sulfonyl]amino}-n-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide
+C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O	0MK	beta-l-ribopyranose
+C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)N	0ML	(2s,3s)-3-amino-2-hydroxy-n-(4-iodobenzyl)butanamide
+Cc1c(c(no1)c2cccnc2Cl)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]	0MM	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone
+COc1cccc(c1)OCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3	0MN	n-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide
+CCCCOc1cc(ccc1OC)C[C@@H]2CNC(=O)N2	0MO	(4r)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one
+CC(=O)N[C@@H](Cc1ccc(cc1)F)[C@@H](CN[C@H]2CC3(CCC3)Oc4c2cc(cn4)CC(C)(C)C)O	0MP	n-((2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide
+C1CCC(CC1)NCC(P(=O)(O)O)P(=O)(O)O	0MQ	[2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid
+Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccccn5	0MR	n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide
+Cc1cc(cnc1N2CCN(CC2)C(=O)c3c(onc3c4ccccc4Cl)C)Br	0MS	[4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
+c1ccc(cc1)c2c3c([nH]n2)C(=O)N([C@@H]3c4ccc(cc4)[N+](=O)[O-])c5ccc(cc5)C(=O)O	0MT	4-[(4r)-4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid
+CC(=O)OCC1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)CCC[C@H](C(=O)O)N	0MU	(2r)-5-(acetyloxymethyl)-2-[(1r)-1-[[(5r)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)Nc4ccccc4C(=O)N3	0MV	(3s)-3-(1h-indol-3-ylmethyl)-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione
+CCCCCCNCC(P(=O)(O)O)P(=O)(O)O	0MW	[2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid)
+c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)NC(=O)c5ccco5	0MX	n-[5-(4-{[(3-chlorophenyl)sulfonyl]amino}phenyl)-1h-indazol-3-yl]furan-2-carboxamide
+c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)N	0MY	n-[4-(3-amino-1h-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide
+c1ccc(c(c1)/C=N/N=C\2/N=C([C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O)O	0MZ	2-{(2z,5s)-4-hydroxy-2-[(2e)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-n-[3-(trifluoromethyl)phenyl]acetamide
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3(c4ccccc4Oc5c3cccc5)CCCCOC	0N0	(3s,5r)-n-{[9-(4-methoxybutyl)-9h-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide
+Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/C[C@@H](NC2=O)c3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O	0N1	(4s,8e,11r)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione
+C[C@@H]1[C@@H]([C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N)O	0N2	(2r,4s,5r,6r)-4-amino-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)O	0N3	3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
+B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)O	0N4	[({[4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
+COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4	0N5	n-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide
+c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3ccc4c(c3)CCNC4	0N6	(r)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
+c1ccc2c(c1)CC(=O)N(C2=O)O	0N7	2-hydroxyisoquinoline-1,3(2h,4h)-dione
+c1ccc(cc1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O	0N8	(2z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid
+Cn1cc(nc1)C2=NC(=C(C(=O)N2)O)C(=O)O	0N9	5-hydroxy-2-(1-methyl-1h-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)O	0NA	[({[6-(1h-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid
+B(CNS(=O)(=O)c1ccc(c(c1)Cl)c2[nH]nnn2)(O)O	0NB	[({[3-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
+C[C@@H](C(=O)NC)N	0NC	n-methyl-l-alaninamide
+B(CNS(=O)(=O)c1ccc(cc1Cl)c2[nH]nnn2)(O)O	0ND	[({[2-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
+B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)O	0NE	[({[4-(1h-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid
+CC(C)(c1cc(cc(c1)NC(=O)[C@H]2CCc3ccc(cc3C2)Oc4ccnc5c4CCC(=O)N5)C(F)(F)F)N	0NF	(2s)-n-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
+B(CNS(=O)(=O)CCl)(O)O	0NG	({[(chloromethyl)sulfonyl]amino}methyl)boronic acid
+CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3	0NH	1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
+CC1=C(C(=O)c2ccccc2N1)CC=C(C)CC/C=C(\C)/CCC=C(C)C	0NI	aurachin d
+COc1ccc2c(c1)sc(n2)c3ccccc3F	0NJ	2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole
+CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC	0NK	6,7,8-trimethoxy-n-(pentan-3-yl)quinazolin-4-amine
+CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n2cnc3c2c4cc[nH]c4nc3	0NL	tert-butyl [(1r,3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)cyclopentyl]carbamate
+C(#N)O	0NM	cyanic acid
+c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC4(CC3)c5ccccc5CO4	0NN	1-benzyl-n-[3-(1'h,3h-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-d-prolinamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=N)F	0NP	2',3'-dideoxy-2'-fluoro-3'-triaza-1,2-dien-2-ium-1-yluridine
+CCO[P@@]1(=O)c2cc(ccc2NC(=N1)C3=C([C@@H](N(C3=O)CCC(C)(C)C)C(C)(C)C)O)NS(=O)(=O)C	0NQ	n-{(1s)-3-[(5s)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide
+COC(=O)C1=C(C(=O)c2cccnc2N1c3ccccc3)Cc4ccc(cc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)N	0NR	methyl 3-(4-{[(1r,2s,3s,5s,7s)-5-aminotricyclo[3.3.1.1~3,7~]dec-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate
+CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC	0NS	2-methoxy-n-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide
+CC(C)N1CCC[C@H]1C(=O)N2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4	0NT	[4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl][(2s)-1-(propan-2-yl)pyrrolidin-2-yl]methanone
+c1c[nH]c2c1c3c(cn2)ncn3[C@@H]4CCCN(C4)C(=O)CC#N	0NU	3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrile
+c1ccc(cc1)CN2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4	0NV	1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3cccc(c3)c4ccc(cc4Cl)Cl)/N	0NW	3-[(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide
+c1ccc(cc1)c2cc(no2)CO	0NX	(5-phenyl-1,2-oxazol-3-yl)methanol
+Cc1cc([nH]n1)C[C@H](C)Nc2c3ccc(c(c3ncn2)OC)OC	0NY	7,8-dimethoxy-n-[(2s)-1-(3-methyl-1h-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine
+C1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O	0NZ	2-deoxy-6-o-phosphono-beta-d-glucopyranose
+c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCC5)N=C(NC4=O)N	0O1	6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	0O2	guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)
+C=C(CCOP(=O)(O)OP(=O)(O)O)CO	0O3	3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate
+c1ccc2c(c1)ccnc2c3ccc(cc3)C(=O)NCCN4CCOCC4	0O4	4-(isoquinolin-1-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide
+Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4	0O5	4-(3-methylisoquinolin-1-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](c3ccccc3)c4cn(nn4)CCCCc5ccc(cc5)CCCCn6cc(nn6)[C@H](c7ccccc7)NC(=O)[C@@H]8CC[C@H]9N8C(=O)[C@H]([C@H](CC9)CO)NC(=O)[C@H](CC)NC)CO)NC	0O6	(3s,6s,7s,9as,3's,6's,7's,9a's)-n,n'-(benzene-1,4-diylbis{butane-4,1-diyl-1h-1,2,3-triazole-1,4-diyl[(s)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2s)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide]
+CCc1ccc(cc1)c2ccc3c(c2)-c4c(c[nH]n4)S(=O)(=O)N3C	0O7	8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide
+CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1CC[N+](CC1)(C)C	0O8	(1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate
+CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O[C@H]1[C@H](C[C@@H]([C@H]([C@H]1O)O)O)OCC(C)C)OC	0O9	(2s)-2-methoxy-3-(octadecyloxy)propyl (1r,2r,3r,4s,6s)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (s)-phosphate
+CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)OCC2CCCCC2)OC	0OA	(1r,2s,3r,4s,6s)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2r)-2-methoxy-3-(octadecyloxy)propyl hydrogen (s)-phosphate
+c1ccc2c(c1)cc(s2)CCC(=O)O	0OB	3-(1-benzothiophen-2-yl)propanoic acid
+CN(C)S(=O)(=O)c1ccsc1	0OC	n,n-dimethylthiophene-3-sulfonamide
+CC12=C3([Rh+]145(C2(=C4(C53C)CCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)C)(Cl)(Cl)Cl)C	0OD	trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)
+c1cc(cc(c1)Cl)c2c(cn[nH]2)c3nc4cc(ccc4n3CCCn5ccnc5)c6ccc(cc6)C(=O)O	0OE	4-{2-[5-(3-chlorophenyl)-1h-pyrazol-4-yl]-1-[3-(1h-imidazol-1-yl)propyl]-1h-benzimidazol-5-yl}benzoic acid
+CCN1c2ccc(cc2N(C(=O)[C@H](C1=O)c3cc(cc(c3)O)c4cccnc4)c5ccccc5)C(F)(F)F	0OF	(3s)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1h-1,5-benzodiazepine-2,4(3h,5h)-dione
+CCc1cc(n(n1)c2ccc3c(c2)nc(n3CC4=CNC(=O)C=C4)c5cc(ccc5O)C(=O)O)c6ccc(o6)C	0OG	3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1h-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1h-benzimidazol-2-yl}-4-hydroxybenzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N	0OH	north-methanocarba-2'-deoxyadenosine triphosphate
+CNC(=O)Nc1ccccc1F	0OI	n-(2-fluorophenyl)-n'-methylurea
+c1nc(c2c(n1)n(cn2)[C@]34C[C@H]3[C@@H]([C@H](C4)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N	0OJ	south-methanocarba-2'-deoxyadenosine triphosphate
+c1ccc(cc1)N2C=Nc3ccccc3C2=O	0OK	3-phenylquinazolin-4(3h)-one
+c1ccc(cc1)C(=O)N2CCCCC2	0OL	phenyl(piperidin-1-yl)methanone
+c1ccc(cc1)COC(=O)c2cccnc2	0OM	benzyl pyridine-3-carboxylate
+c1ccc(cc1)NC(=O)c2cccnc2	0ON	n-phenylpyridine-3-carboxamide
+c1ccc(cc1)Oc2cccc(c2)CO	0OO	(3-phenoxyphenyl)methanol
+c1ccc(cc1)COc2cccc(c2)CO	0OP	[3-(benzyloxy)phenyl]methanol
+c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)C(F)(F)F	0OQ	(1r,5s)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
+CC(C)(COP(=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N)O	0OR	n~3~-[(2r)-2-hydroxy-4-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alaninamide
+COc1ccc(cc1OC)CC[C@@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3S(=O)(=O)c4cc(cc(c4)Cl)Cl	0OS	{3-[(1s)-1-[({(2s)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
+CCOc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2	0OT	2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1h)-one
+c1ccc2c(c1)C(=O)C=C(N2)NCCCNCc3cc(cc(c3)Cl)Cl	0OU	2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1h)-one
+C[C@@H]1CCCC[C@@H]1Oc2nc(c3c(n2)N(C=CC3=O)CC#N)N	0OV	[4-amino-2-{[(1s,2r)-2-methylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5h)-yl]acetonitrile
+C1CCC(C1)Oc2nc(c(c(n2)O[C@@H]3CCC[C@@H]3O)C(=O)N)N	0OW	4-amino-2-(cyclopentyloxy)-6-{[(1r,2s)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide
+c1c(c(nc(n1)OC2CCCC2)N)C(=O)N	0OX	4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide
+c1cc(ccc1C(=O)N2CCOCC2)O	0OY	(4-hydroxyphenyl)(morpholin-4-yl)methanone
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+]	0P0	n-[(4r)-4-ammonio-4-carboxybutanoyl]-l-cysteinylglycine
+C[C@@H](C(=O)N[C@@H](CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C)NC(=O)OCc2ccccc2	0P1	n-[(benzyloxy)carbonyl]-l-alanyl-n-{(1s)-1-[(r)-[(1r)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl }-l-alaninamide
+B([C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)(O)O	0P2	n~2~-[(benzyloxy)carbonyl]-n-[(1r,2s)-1-(dihydroxyboranyl)-2-methylbutyl]-l-alaninamide
+c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl	0P4	n-(1h-benzimidazol-2-yl)-n'-(3,5-dichlorobenzyl)propane-1,3-diamine
+COc1ccc(c(c1)Cl)Oc2cc(nc(n2)N3CCNC(=O)C3)NCc4[nH]c5ccccc5n4	0P5	4-{4-[(1h-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one
+c1cc2ccc(nc2c(c1)O)N	0P6	2-aminoquinolin-8-ol
+COc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2	0P8	2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1h)-one
+C1CCC(C1)CC(=O)O	0PA	cyclopentylacetic acid
+C[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2	0PC	nalpha-[(benzyloxy)carbonyl]-n-[(1s)-3-chloro-1-methyl-2-oxopropyl]-l-phenylalaninamide
+CCc1ccc(cc1)c2ccc3c(c2)-c4c(cnn4CC)S(=O)(=O)N3C	0PF	1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide
+	0PI	n-[(2r,4s)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-l-leucine
+	0PJ	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-leucine
+	0PK	n-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-l-leucyl-l-alanine
+Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)c4ccccc4)Cl	0PL	(3s)-3-{4-chloro-3-[(n-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1h-1,2,3-benzotriazol-5-yl)propanoic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)NC(C)(C)C)SCc3cccnc3)O)NC(=O)c4ccc5ccccc5n4	0PO	n-[(1r)-1-{[(1s,2s)-1-benzyl-3-{(2r,4s)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamide
+CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc3ccccc3n2)O)C(C)(C)C	0PP	(2s)-2-tert-butyl-n~4~-(1-ethylpropyl)-n~1~-[(2r,3s)-2-hydroxy-4-phenyl-3-{[n-(quinolin-2-ylcarbonyl)-l-threonyl]amino}butyl]butanediamide
+c1ccc(cc1)C[C@H](C[P@@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O	0PQ	n-{(2r)-3-[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-l-phenylalanine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](Cc2ccc(cc2)O)C(=O)O)O	0PR	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-tyrosine
+CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC(=O)N)NC(=O)c2ccc3ccccc3n2)O)C(=O)NCC(C)(C)C	0PX	n~1~-{(1s,2s,4s)-1-(cyclohexylmethyl)-4-[(2,2-dimethylpropyl)carbamoyl]-2-hydroxy-5-methylhexyl}-n~2~-(quinolin-2-ylcar bonyl)-l-aspartamide
+c1ccncc1	0PY	pyridine
+CCCC[C@@H]1CO1	0PZ	(2r)-2-butyloxirane
+Cc1c(c(on1)C)c2ccc3c(c2)[C@@](CC3)(c4ccccc4)O	0Q1	(1r)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1h-inden-1-ol
+Cc1nc2cnc3c(c2n1[C@@H]4CCC[C@H](C4)O)CC=N3	0Q2	(1r,3r)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8h)-yl)cyclohexanol
+CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N	0Q4	n-[(2r)-2-({n~5~-[amino(iminio)methyl]-l-ornithyl-l-valyl}amino)-4-methylpentyl]-l-phenylalanyl-l-alpha-glutamyl-l-alanyl-l-norleucinamide
+CCCCc1c(c(nn1c2ccccc2)CO)c3ccc(cc3C(=O)N4CCc5ccccc5C4)C(=O)NS(=O)(=O)CC[Si](C)(C)C	0Q5	4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)-n-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide
+c1cc(cc(c1)Br)COc2ccc(cc2)C(=O)N	0Q6	4-[(3-bromophenyl)methoxy]benzamide
+CN(CCCC(=O)c1cccnc1)N=O	0QA	4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
+	0QB	(2s)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n~1~-{(1s,2s)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3r)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-n~4~-[2-(dimethylamino)-2-oxoethyl]-n~4~-[(1s)-1-phenylethyl]butanediamide
+CCl	0QE	chloromethane
+CCS[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N3CCOCC3	0QF	n-[(1s)-2-{[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-nalpha-(morp holin-4-ylsulfonyl)-l-phenylalaninamide
+	0QG	3-methyl-l-valyl-l-prolyl-l-isoleucine
+	0QH	(1r)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2s)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium
+CC(C)C[C@H](CS)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)O	0QI	o-methyl-n-[(2s)-4-methyl-2-(sulfanylmethyl)pentanoyl]-l-tyrosine
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCN(C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	0QJ	5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine
+CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O	0QK	7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+C(CSSC[C@@H](C(=O)O)N)N	0QL	3-[(2-aminoethyl)disulfanyl]-l-alanine
+	0QN	n-(trifluoroacetyl)-l-valyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
+C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OCCO4)F	0QQ	n-[3-[(4r,5r,6r)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
+c1cc(nc(c1)NS(=O)(=O)c2ccc(cc2)F)N	0QR	n-(6-aminopyridin-2-yl)-4-fluorobenzenesulfonamide
+CC(C)(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC3CCCCC3)C(C(C(=O)NCCN4CCOCC4)(F)F)(O)O	0QS	n~2~-[(2r)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-n-{(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1h-imidazol-3-ium-4-yl)-l-alaninamide
+c1ccc2c(c1)c(c[nH]2)C(=S)N3CCC(CC3)O	0QV	(4-hydroxypiperidin-1-yl)(1h-indol-3-yl)methanethione
+c1ccc(c(c1)C(=S)N2CCCC2)O	0QW	(2-hydroxyphenyl)(pyrrolidin-1-yl)methanethione
+c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccncc4n3	0QX	2-(1h-indol-3-ylmethyl)-1h-imidazo[4,5-c]pyridine
+c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccc(cc4n3)NC(=O)[C@@H]5CCCN5	0QY	n-[2-(1h-indol-3-ylmethyl)-1h-benzimidazol-5-yl]-l-prolinamide
+C([C@H](C(=O)O)O)N	0QZ	d-isoserine
+c1ccc(c(c1)C#N)O	0R0	2-hydroxybenzonitrile
+c1ccc2c(c1)cno2	0R1	1,2-benzisoxazole
+CC[C@@H](C(=O)OC(C)(C)C)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	0R2	[(3r,5r,6s)-1-[(2s)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
+CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	0R3	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2s,3s)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
+CC(=O)Nc1cccc(c1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)CNC(=O)c6cccc(c6)F	0R4	n-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3h-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0R5	2'-deoxy-5-[(4-ethynylphenyl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0R6	2'-deoxy-5-[(4-ethynylphenyl)ethynyl]cytidine 5'-(tetrahydrogen triphosphate)
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3CC[C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O	0R7	[[(2s,5r)-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3CC[C@H](O3)COP(=O)(O)O	0R8	[(2s,5r)-5-{4-amino-5-[(4-ethynylphenyl)ethynyl]-2-oxopyrimidin-1(2h)-yl}tetrahydrofuran-2-yl]methyl dihydrogen phosphate
+CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cc(cnc3)C(=O)O)n4ccc(n4)C(F)(F)F	0R9	5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1h-pyrazol-1-yl]-1h-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid
+c1cc(cc(c1)c2cc3cc[nH]c3nc2)CCC(=O)O	0RA	3-[3-(1h-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid
+c1c([nH]nn1)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N	0RB	2-amino-4-oxo-n-(1h-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CCN)O)O)O	0RC	5'-o-[(s)-{[(r)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(cc4)C(=O)O	0RD	4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1h-indol-6-yl}carbonyl)amino]benzoic acid
+CCCC[C@@H](CO)O	0RE	(2s)-hexane-1,2-diol
+C[C@@H]1C[C@H](c2c1c(ncn2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)c4ccc(cc4)Cl)O	0RF	(2s)-2-(4-chlorophenyl)-1-{4-[(5r,7r)-7-hydroxy-5-methyl-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-one
+c1cc(cc(c1)n2c(cc(n2)C(F)(F)F)C(=O)Nc3cc(ccc3F)[C@@H](c4cccc(c4)C#N)NCC5CC5)CN	0RI	orladeyo
+C([C@@H](C(=O)O)N)NC=O	0RJ	3-(formylamino)-l-alanine
+Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(c(c4)Cl)C(=O)O	0RK	2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1h-indol-6-yl}carbonyl)amino]benzoic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C	0RM	(2r,4s)-2-{(r)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C	0RN	sulbactam
+CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(S4)(C)C	0RO	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine
+CC[C@@H]1C[C@@H](c2cc(ccc2N1C(=O)OCC)C(F)(F)F)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)OC	0RP	ethyl (2r,4s)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2h )-carboxylate
+CC(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	0RQ	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(4-oxidanylidenepentylamino)propyl]amino]butyl] hydrogen phosphate
+c1cc(c(c(c1)Cl)CN2c3ccc(cc3/C(=C/4\C(=O)N(C(=S)S4)CCC(=O)O)/C2=O)Cl)Cl	0RR	3-{(5z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3h-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
+CN(C)C1CCN(CC1)c2ccc3c(n2)nc([nH]3)C(=O)c4ccnc(c4)c5cncc6c5cccc6	0RS	{5-[4-(dimethylamino)piperidin-1-yl]-1h-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone
+CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F)C	0RT	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
+Cc1cccc2c1NC(=NC2=O)CSc3ncccn3	0RU	8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1h)-one
+CC1=C(C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C	0RV	(2s)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2h-pyrro le-5-carboxylic acid
+Cc1c2ccccc2n[nH]1	0RW	3-methyl-2h-indazole
+c1cc(ccc1NC(=O)c2ccnc(c2)N3CCOCC3)Oc4ccncc4	0RX	2-(morpholin-4-yl)-n-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide
+c1cc(cc(c1)NC(=O)/C=C\C(=O)O)C(=O)N	0RY	(2z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid
+c1cc(cc(c1)NC(=O)/C=C/C(=O)O)C(=O)N	0RZ	(2e)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid
+c1cc(ccc1/N=N/C2=CC=C(NC2=O)O)S(=O)(=O)N	0S0	4-[(e)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2[C@H](C[C@@H]2O)CC=C	0S1	n-((1r,2s)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form
+CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)C(C)C	0S2	5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid
+CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)N(C)C	0S3	5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid
+CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO	0S4	n-hydroxy-2-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide
+c1ccc(cc1)C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3CCCC3)CN(C=O)O	0S5	n-benzoyl-1-[(2r)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl]-l-prolinamide
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)OC)c4ccc(cc4)Cl)C	0S6	methyl [(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
+Cc1cc([nH]n1)Nc2c(cnc(n2)NCCc3cccnc3)Br	0S7	5-bromo-n~4~-(3-methyl-1h-pyrazol-5-yl)-n~2~-[2-(pyridin-3-yl)ethyl]pyrimidine-2,4-diamine
+Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCCOC)Br	0S8	5-bromo-n~4~-[3-(3-methoxypropyl)-1h-pyrazol-5-yl]-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
+Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCc4ccccc4)Br	0S9	5-bromo-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-n~4~-[3-(2-phenylethyl)-1h-pyrazol-5-yl]pyrimidine-2,4-diamine
+CCCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	0SA	undecyl 4-o-alpha-d-glucopyranosyl-1-thio-beta-d-glucopyranoside
+c1cc(cc(c1)N2CCNCC2)c3cccc(n3)Nc4cc(ccn4)C(F)(F)F	0SB	n-{6-[3-(piperazin-1-yl)phenyl]pyridin-2-yl}-4-(trifluoromethyl)pyridin-2-amine
+CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4c5cc[nH]c5ccc4F)N6CCOCC6)O	0SC	2-(1-{[2-(5-fluoro-1h-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol
+CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cccc5c4c[nH]n5)N6CCOCC6)O	0SD	2-(1-{[2-(2h-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol
+CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cnc(nc4)N)N5CCOCC5)O	0SE	2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol
+CCc1cc(ccc1Cl)Oc2ccnc(n2)N(Cc3cccc(c3)OC(C(F)F)(F)F)C[C@H](C(F)(F)F)O	0SF	(2r)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol
+CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O	0SG	n-{(2s,3r,4e)-1-[(3,6-di-o-sulfo-beta-d-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	0SH	n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexadecanamide
+c1ccc(cc1)COc2ccc3c(c2)-c4ccsc4NC3=O	0SI	8-phenylmethoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
+c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)Cl	0SJ	(1r,5s)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
+C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)c4cc(cc(c4S3)NO)C(F)(F)F	0SK	8-(hydroxyamino)-2-[(2s)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4h-1,3-benzothiazin-4-one
+c1ccc2cc(ccc2c1)S(=O)(=O)N3CCC[C@H](C3)C(=O)O	0SL	(3r)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid
+CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](C)O	0SM	trimethyl-[2-[[(2s,3s)-2-(octadecanoylamino)-3-oxidanyl-butoxy]-oxidanyl-phosphoryl]oxyethyl]azanium
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O	0SN	{4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCNC(=O)OC(C)(C)C	0SO	tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate
+CCCSSCCCNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	0SP	2'-deoxy-n-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate)
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N	0SQ	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCN3CCOCC3	0SR	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCN(CC3)C(=O)Nc4cc(nn4c5ccc(cc5)C)C(C)(C)C	0SS	n-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCOCC3	0ST	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCO	0SU	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(2-hydroxyethyl)urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCCCO	0SV	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(5-hydroxypentyl)urea
+c1ccc(cc1)CCNc2c3ccccc3ncn2	0SW	n-(2-phenylethyl)quinazolin-4-amine
+c1cc2c(cc1Cl)c3c(o2)C(=O)NC(=N3)[C@@H]4CCCN4	0SX	8-chloro-2-[(2s)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3h)-one
+c1cnccc1c2cc3c([nH]2)CCNC3=O	0SY	2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)O	0SZ	3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)benzoic acid
+CNC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2	0T0	3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)-n-methylbenzamide
+CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	0T1	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate
+CC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5	0T2	2-chloro-3-[(2-cyanopropan-2-yl)oxy]-n-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide
+c1cc(ccc1C#N)[C@H]2CCCc3n2cnc3	0T3	4-[(5r)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
+CC(c1ccccc1)NC(=O)c2cc(cc(c2)NO)C(F)(F)F	0T4	3-(hydroxyamino)-n-[(1r)-1-phenylethyl]-5-(trifluoromethyl)benzamide
+CC(c1ccccc1)NC(=O)c2cc(cc(c2)[N+](=O)[O-])C(F)(F)F	0T5	3-nitro-n-[(1r)-1-phenylethyl]-5-(trifluoromethyl)benzamide
+Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC	0T6	1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
+CCCc1nc(c2n1c3ccc(cc3nc2C)OCc4ccc5ccccc5n4)C	0T7	3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline
+c1cnccc1CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	0T8	4-(cyclopentylamino)-n-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide
+CC[C@H](C)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	0T9	 (3s,8s,9s,10r,13s,14s,17r)-3-hydroxy-10,13-dimethyl-17-[(2s,6s)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16h-cyclopenta[a]phenanthren-16-one
+Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3c[nH]nc3)C4CCCC4	0TA	2-amino-8-cyclopentyl-4-methyl-6-(1h-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc(c(nc3)OC)F)N4CCCC4	0TB	2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8h)-one
+CS[C@@H]([C@@H](C(=O)O)N)C(=O)O	0TD	(3s)-3-(methylsulfanyl)-l-aspartic acid
+CSC1=NN2C(=C3C=CC=CN3[Cu]2(S1)Cl)c4ccccn4	0TE	chloro{methyl hydrogenato(3-)-kappa~2~n,s [pyridin-2-yl(pyridin-2(1h)-ylidene-kappan)methyl]carbonodithiohydrazonate}copper
+C(CCNC(=O)[C@@H](CCCN)N)C[C@@H](C(=O)O)N	0TF	n~6~-d-ornithyl-l-lysine
+CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)O	0TH	n-(propylsulfonyl)-d-threonine
+c1cc2c(cc1F)[C@H](C(=O)N2)O	0TI	(3r)-5-fluoro-3-hydroxy-1,3-dihydro-2h-indol-2-one
+c1nc2c(n1CC(=O)NCCCCCC=O)c(c(c(c2Br)Br)Br)Br	0TJ	n-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1h-benzimidazol-1-yl)acetamide
+C(C[C@H](C(=O)OP(=O)(O)O)N)CN	0TK	(2r)-2,5-diaminopentanoyl dihydrogen phosphate
+CN(C)C(=O)CSc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)OC)OC	0TM	2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7h-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-n,n-dimethylacetamide
+c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81	0TN	delta-ru(phen)2(dppz) complex
+COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl	0TO	n-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
+CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	0TP	4-amino-n-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)/C(=C(\C)/NC)/C(=O)N5	0TQ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({(3z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1h-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+C1=CC=C(C(=O)C=C1)O	0TR	2-hydroxycyclohepta-2,4,6-trien-1-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)S)CO)CO)CO)CO)O)O)O)O	0TS	beta-d-glucopyranosyl-(1->4)-4-thio-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-4-thio-beta-d-glucopyrano  syl-(1->4)-1-thio-beta-d-glucopyranose
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)CC3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)CO)O	0TT	1-[(2r,4s,5r)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5r)-1-[(2r,4s,5r)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione
+c1cc2c(cc1Cl)C=CC(=O)N2	0TU	6-chloroquinolin-2(1h)-one
+CCN(CC)CCC[C@H](C)Nc1ccnc2c1ccc(c2)Cl	0TX	(4s)-n~4~-(7-chloroquinolin-4-yl)-n~1~,n~1~-diethylpentane-1,4-diamine
+Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4	0TZ	3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-n-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
+C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O	0U	l-uridine-5'-monophosphate
+Cc1nc(cc(n1)Nc2cnccn2)c3c(nc4n3nccc4)Nc5cc[nH]n5	0U0	3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-n-(1h-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine
+C[Se][C@H]1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	0U1	2'-methylselenyl-2'-deoxy-l-uridine-5'-monophosphate
+CCC(CC)(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO	0U3	n-hydroxy-2-{4-[3-(4-{[(2s)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCCC4CCN(CC4)Cc5ccccc5)O	0U4	n-[(2s,3r)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+CCCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3C(c4ccccc4C=N3)C=C(C)C	0U5	(2e)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one
+CCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3[C@H](c4ccccc4C=N3)C=C(C)C	0U6	(2e)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one
+c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(cc(c3)Cl)Cl	0U7	3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
+C1[C@@H]2[C@H]([C@@H]([C@@](O2)(OC[C@@H]3[C@H]([C@@H]([C@](O1)(O3)CO)O)O)CO)O)O	0U8	(1r,4r,5s,6s,7r,10r,11s,12s)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol
+C[C@@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O	0U9	s-bicalutamide
+c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl	0UA	3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)OC[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O)O)O)O)O)O)O)O	0UB	beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranose
+c1cc(c(cc1S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)Br	0UC	4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
+[H]/N=C(\NCC)/NC(=O)Nc1c(cccc1C(C)C)C(C)C	0UD	n-[2,6-di(propan-2-yl)phenyl]-n'-(n-ethylcarbamimidoyl)urea
+CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN	0UE	ferrioxamine b
+CCCCN1C(=O)C(=CC=CC=C2N(c3ccccc3O2)CCCS(=O)(=O)O)C(=O)N(C1=S)CCCC	0UF	3-[(2e)-2-[(2z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2h)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2h)-yl]propane-1-sulfonic acid
+C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O	0UH	2'-deoxy-2-oxoadenosine 5'-(dihydrogen phosphate)
+c1cc2c(cc1O)-c3ccsc3NC2=O	0UI	8-oxidanyl-4~{h}-thieno[2,3-c]isoquinolin-5-one
+CS(=O)(=O)NCc1nc2cnc3c(c2n1[C@@H]4C[C@H]5CC[C@@H]4C5)cc[nH]3	0UJ	n-({1-[(1r,2r,4s)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide
+C[C@@H]1[C@@H]2[C@@H](C(/C(=C/C3=N/C(=C(\C4=N[C@@]([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)([C@@]([C@@H]4CCC(=O)O)(C)CC(=O)O)C)/C)/[C@@]([C@@H]3CCC(=O)O)(C)CC(=O)O)/N2)(C)C)CCC(=O)O	0UK	3-[(1r,2r,3r,5r,6s,7r,9z,12s,13s,14z,17s,18s,19r)-2,13,18-tris(2-hydroxy-2-oxoethyl)-3,12,17-tris(3-hydroxy-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,12,17,22-octahydrocorrin-7-yl]propanoic acid
+c1ccc(cc1)c2cn3c(cn2)nc(n3)N	0UL	6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine
+CCCN[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	0UM	(2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl	0UN	n-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
+COc1cccc2c1c(c[nH]2)C[C@@H](C(=O)O)N	0UO	4-methoxy-l-tryptophan
+C[C@H]1C[C@]2(CCN1Cc3ccc(c(c3)OC(C)C)O)CN(S(=O)(=O)N2c4cccc(c4)F)C	0UP	4-{[(5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol
+C[C@H]1C[C@]2(CCN1Cc3cccc(c3)OC(C)C)CN(S(=O)(=O)N2c4cccc(c4)F)C	0UQ	(5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
+C=CCNS(=O)(=O)c1cccc(c1)C(=O)Nc2nc3cc(ccc3n2C4CCC(CC4)CO)CN5CCCCC5	0US	n-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1h-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide
+c1ccc(cc1)C(c2ccccc2)(C(=O)O)O	0UT	hydroxy(diphenyl)acetic acid
+COC(=O)C1CCC(CC1)n2c3cc(ccc3nc2NC(=O)c4ccccc4)CN5CCCCC5	0UU	methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1h-benzimidazol-1-yl]cyclohexanecarboxylate
+CC(C)NC(=O)C1CCC(CC1)N\2c3cc(ccc3N/C2=N\C(=O)c4ccc(cc4)F)CN5CCC(CC5)C(C)(C)O	0UV	4-fluoro-n-{(2e)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2h-benzimidazol-2-ylidene}benzamide
+c1ccc(cc1)C2=NNC(=O)N2	0UW	5-phenyl-2,4-dihydro-3h-1,2,4-triazol-3-one
+CNc1[nH]c2cc3c(c(c2n1)CCNCC45CC6CC(C4)CC(C6)C5)N=C(NC3=O)N	0UX	6-amino-2-(methylamino)-4-(2-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1cc(c(cc1[C@H](C(=O)O)N)Cl)O	0UZ	(2r)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid
+CCOc1cc(ccc1C[NH3+])OCC#Cc2ccc3ccncc3c2	0V0	(2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium
+CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5ccc(cc5)c6ccccc6)N=C(NC3=O)N	0V2	6-amino-4-[2-({[trans-4-(biphenyl-4-ylethynyl)cyclohexyl]methyl}amino)ethyl]-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5cccnc5)N=C(NC3=O)N	0V3	6-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC	0V4	(4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-d-glucopyranoside
+C[C@H](C(=O)O)OP(=O)(O)O	0V5	(2r)-2-(phosphonooxy)propanoic acid
+[H]/N=C\1/NC(CC(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl	0V6	(2z,6s)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1h)-one
+c1cc(cc(c1)F)CNCCS(=O)(=O)O	0V7	2-[(3-fluorobenzyl)amino]ethanesulfonic acid
+c1cc(cc(c1)Br)CNCCS(=O)(=O)O	0V8	2-[(3-bromobenzyl)amino]ethanesulfonic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCC	0V9	(19r,22s)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9z)-hexadec-9-enoate
+[H]/N=C(/NCc1cc(c(c(c1)Cl)N)Cl)\NC(=O)c2c(snc2c3ccc(cc3)OC)C	0VA	n-[n-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
+[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)C)/NC(=O)c2c(snc2c3ccc(cc3)OC)C	0VB	n-{n-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
+COCC[C@H]1C[C@@H]1c2cc(cnc2)OC[C@@H]3CCN3	0VC	3-[(2s)-azetidin-2-ylmethoxy]-5-[(1s,2r)-2-(2-methoxyethyl)cyclopropyl]pyridine
+c1ccc(cc1)COc2ccc(cc2)CC(=O)[C@H](Cc3c[nH]cn3)N	0VD	(3s)-3-amino-1-[4-(benzyloxy)phenyl]-4-(1h-imidazol-4-yl)butan-2-one
+CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O	0VE	3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol
+COc1ccc(cc1OC)Nc2c3c(nc(n2)N4CC[C@@H](C4)NC(=O)c5ccc(cc5)C(=O)O)scn3	0VF	4-{[(3s)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acid
+C[C@H]1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5	0VG	n-{6-[(2s)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine
+CCc1cccc(n1)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N	0VH	6-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide
+COc1ccc(cc1)CC2=C(C(=O)c3ccccc3C2=O)O	0VJ	2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione
+CCCc1cc(ccc1c2cc(ccc2C)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O	0VK	3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol
+c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F	0VM	2-[(4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-1h-benzimidazole-6-carbonitrile
+CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N	0VN	2-[(4-tert-butylphenyl)amino]-1h-benzimidazole-6-carbonitrile
+CCC(=CC=CC(CC)(CC)O)c1cccc(c1)OCc2ccc(c(c2)CO)CO	0VO	(4e,6z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol
+CCCc1cc(ccc1c2cc(ccc2CC)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O	0VP	3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol
+CC/C(=C\C=C\C(C(F)(F)F)(C(F)(F)F)O)/c1cccc(c1)CCc2ccc(c(c2)CO)CO	0VQ	(3e,5e)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol
+c1ccc(c(c1)C(=O)O)NC[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	0VR	1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate
+CC1=C(C(=O)c2ccccc2C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	0VS	l-gamma-glutamyl-s-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-l-cysteinylglycine
+CC(=CCCC(=O)C)C	0VT	6-methylhept-5-en-2-one
+c1cc(cc(c1)C(=O)N2CCCCC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N	0VU	4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide
+c1ccc2c(c1)CN/C(=N\S(=O)(=O)N)/N2	0VV	n-[(2e)-3,4-dihydroquinazolin-2(1h)-ylidene]sulfuric diamide
+C1CNC(=NS(=O)(=O)N)NC1	0VW	n-(tetrahydropyrimidin-2(1h)-ylidene)sulfuric diamide
+C1CO/C(=N\S(=O)(=O)N)/N1	0VX	n-[(2z)-1,3-oxazolidin-2-ylidene]sulfuric diamide
+C1CCN(C1)/C(=N/S(=O)(=O)N)/N	0VY	n'-sulfamoylpyrrolidine-1-carboximidamide
+CCOC(=O)[C@@H]1CS/C(=N\S(=O)(=O)N)/N1	0VZ	ethyl (2z,4r)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(=O)c2cc(no2)C3=CC(=O)C(=CN3O)O)NS(=O)(=O)O	0W0	(4r,5s,8z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid
+Cc1c2cc(sc2n(n1)C)C(=O)O	0W1	1,3-dimethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid
+C[C@@H](C(=O)N1CC[C@@H](N1c2ccccc2F)c3ccccc3Cl)NC(=O)NC4C5CC6CC(C5)CC4C6	0W2	1-{(2s)-1-[(3r)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-oxopropan-2-yl}-3-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]urea
+C[C@H](CCC(=O)O)C[C@H](C)C[C@H](C)C(=O)CC(=O)[C@H](C)C[C@H](C)C/C=C\[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O	0W3	(4r,6s,8s,12r,14r,16z,18r,19r,20s,21s)-19,21-dihydroxy-22-{(2s,2'r,5s,5's)-5'-[(1r)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid
+c1ccc(c(c1)CNc2c(nccn2)C(=O)NCc3ccccc3Cl)Cl	0W4	~{n}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
+CC(C)CCCCC/C=C/C=C/C(=O)O	0W5	(2e,4e)-11-methyldodeca-2,4-dienoic acid
+C[C@@H](CCC(=O)O)N	0W6	(4s)-4-aminopentanoic acid
+c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3	0W7	2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-n-phenylacetamide
+CCN1c2ccccc2NC1=O	0W8	1-ethyl-1,3-dihydro-2h-benzimidazol-2-one
+c1cc(c(cc1F)Nc2nc(cs2)c3ccncc3)O	0WA	4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol
+c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#N	0WB	3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile
+C[C@@](C#Cc1ccc2c(c1)N(CC2)c3c(cnc(n3)N)Cl)(c4nccs4)O	0WC	(2r)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1h-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)OP(=O)(O)O)O)N	0WD	[[(2r,3s,4r,5r)-5-(3-aminocarbonyl-4h-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4	0WE	n-methyl-n-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide
+C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)Oc5ccccc5	0WF	1-cyclopentyl-6-[(1r)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CN1c2c(c(c(c(n2)N)CN)c3ccccc3Br)C(=O)N(C1=O)C	0WG	7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione
+Cn1cc(c2c1ncnc2N)c3ccc4c(c3)CCN4C(=O)Cc5cccc(c5)C(F)(F)F	0WH	1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
+C1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O	0WK	1,5-anhydro-6-o-phosphono-d-glucitol
+C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)c5ncccn5	0WL	1-cyclopentyl-6-{(1r)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F	0WM	(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
+CN(C)CCCC(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F	0WN	n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
+Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O	0WO	(2r,4s)-2-[(r)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid
+CC(C)(C#N)c1cccc(c1)C(=O)Nc2ccc(c(c2F)C(=O)Nc3cc4c([nH]nc4nc3)OC)F	0WP	3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-n-(3-methoxy-2h-pyrazolo[3,4-b]pyridin-5-yl)benzamide
+CC(C)(C1CCN(CC1)Cc2nc3c(n2C)nc(nc3N4CCOCC4)n5c6ccccc6nc5N(C)C)O	0WR	2-[1-({2-[2-(dimethylamino)-1h-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9h-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol
+c1c[nH]nc1c2cc(ccn2)C(=O)O	0WS	2-(1h-pyrazol-3-yl)pyridine-4-carboxylic acid
+CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Oc5cncnc5)Cl	0WT	(1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
+CC1=CC[C@@H](CC1=O)C(=C)C	0WU	(5s)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
+Cc1ccc(cc1O)C(=C)C	0WV	2-methyl-5-(prop-1-en-2-yl)phenol
+c1cc(sc1)CNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O	0WW	4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1c2c(c(c3c1nc([nH]3)NCCN4CCOCC4)CCNCC5CCCCC5)N=CNC2=O	0WX	4-{2-[(cyclohexylmethyl)amino]ethyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=C(NC4=O)N	0WY	6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1cnn(c1)c2cc(ccc2O)C[C@@H](C(=O)O)N	0WZ	3-(1h-pyrazol-1-yl)-l-tyrosine
+Cc1ccc(cc1)S(=O)(=O)[N@@](CC(=O)NC(C(C)C)C(C)C)c2ccc(c(c2)OC)OC	0X0	2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-n-(2,4-dimethylpentan-3-yl)ethanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N4C2=NNC4=O)Oc5ccccc5)O	0X1	(5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate
+c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl	0X2	2,6-dichloro-n-(2-oxo-2,5-dihydropyridin-4-yl)benzamide
+c1cc(c(c2c1non2)[N+](=O)[O-])Nc3cc(cc(c3)Cl)F	0X3	n-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
+c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl	0X5	2,6-dichloro-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
+c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)C3CC3	0X6	2,6-dichloro-4-cyano-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
+Cc1ccccc1CNc2c(nccn2)C(=O)N	0X7	3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
+CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)OC/C=C/C(=O)O)C=CC(O4)(C)C)C	0X8	(~{e})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NS(=O)(=O)N	0X9	n~2~-sulfamoyl-l-arginine
+Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/CCCC2=O)[C@@H](CNC(C)(C)c3ncc(o3)C(C)(C)C)O	0XA	(4s,8e)-4-[(1r)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione
+c1cc(cc(c1)F)Nc2ccc3c(c2[N+](=O)[O-])non3	0XB	n-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
+[H]/N=C(\CCCCN)/C(=O)O	0XC	(2e)-6-amino-2-iminohexanoic acid
+[H]/N=C(\CCSC)/C(=O)O	0XD	(2e)-2-imino-4-(methylsulfanyl)butanoic acid
+c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2	0XE	5,6-dihydroxy-4-oxo-2-phenyl-4h-chromen-7-yl beta-d-glucopyranosiduronic acid
+Cc1ccc(nc1C)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N	0XF	6-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide
+CN(C)C(=O)c1ccc(cc1)Nc2ncc(c(n2)OC)c3cc(cs3)C(=O)O	0XG	5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid
+c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)[C@H]3C[C@H]3F)Cl	0XH	2,6-dichloro-n-[2-({[(1r,2r)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
+C/C(=C\COP(=O)(O)O)/c1ccccc1	0XI	(2e)-3-phenylbut-2-en-1-yl dihydrogen phosphate
+CCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C	0XJ	(6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione
+CCC(CC)(C(=O)O)N	0XL	2-amino-2-ethylbutanoic acid
+c1ccc(cc1)C(c2ccccc2)N	0XM	1,1-diphenylmethanamine
+c1cc(ccc1C(c2ccc(cc2)F)N)F	0XN	1,1-bis(4-fluorophenyl)methanamine
+C[C@@](CCCCN)(C(=O)O)N	0XO	2-methyl-d-lysine
+c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)[C@H]3C[C@H]3F	0XP	2,6-dichloro-4-cyano-n-[2-({[(1r,2r)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
+C[C@@](CCCCCCN)(C(=O)O)N	0XQ	(2r)-2,8-diamino-2-methyloctanoic acid
+CCOC(=O)/C=C/c1ccc(c(c1)O)O	0XR	ethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
+c1c2cc(c(nc2nc(c1C(=O)N)N)C(F)(F)F)Br	0XS	2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
+Cc1c(nc2c(n1)c(nc(n2)N)N)OC	0XT	7-methoxy-6-methylpteridine-2,4-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](/C(=C\[C@H](CC[C@@H](C(=O)O)N)N)/O3)O)O)N	0XU	(2s,5s,6e)-2,5-diamino-6-[(3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3h)-ylidene]hexanoic acid
+Cc1cc(cc(c1O)C)C(=O)c2c(oc3c2cccc3)C	0XV	(4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone
+C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C	0XW	(2s,4r)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate
+CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5	0XX	n-(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-n'-(4-{[(3s)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1O)(CO)F)O)O	0XY	5-fluoro-n-acetyl-alpha-d-glucosamine
+c1cc(ccc1[C@H](CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	0XZ	4-amino-n-[(1s)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC[C@@H](C(=O)O)N)O)O)N	0Y0	5'-{[(3s)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine
+c1ccc2c(c1)c(c[nH]2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	0Y1	5'-{[(3s)-3-amino-3-carboxypropyl][2-(1h-indol-3-yl)ethyl]amino}-5'-deoxyadenosine
+c1ccc2c(c1)c(cs2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	0Y2	5'-{[(3s)-3-amino-3-carboxypropyl][2-(1-benzothiophen-3-yl)ethyl]amino}-5'-deoxyadenosine
+CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5	0Y3	n,n'-bis(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide
+Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)Nc4cn(cn4)C	0Y4	n-[5-({3-cyano-7-[(1-methyl-1h-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3)Oc4cccc(c4)C(F)(F)F)C(=O)O	0Y5	4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid
+CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	0Y7	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2s)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid
+c1cc(cc2c1ccnc2O[C@@H]3C[C@H](NC3)C(=O)O)Br	0Y8	(4r)-4-[(7-bromoisoquinolin-1-yl)oxy]-l-proline
+C=C[C@@H]1C[C@@]1(C(=O)O)N	0Y9	(1r,2s)-1-amino-2-ethenylcyclopropanecarboxylic acid
+C1CC1S(=O)(=O)N	0YA	cyclopropanesulfonamide
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)(C)C)c3ccc(c(c3)Oc4cccc(c4)Br)C(=O)O	0YB	2-(3-bromophenoxy)-4-{(1r)-3,3-dimethyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
+c1cc(cnc1)CN	0YC	1-(pyridin-3-yl)methanamine
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)O	0YD	3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoic acid
+c1ccc(cc1)c2cc(on2)CCC(=O)O	0YE	3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
+c1ccc(cc1)c2ccc(cc2)CCC(=O)O	0YF	3-(biphenyl-4-yl)propanoic acid
+c1cc(ccc1/C=C(/C(=O)NCC(=O)O)\N)O	0YG	n-[(2z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cc(n[nH]3)c4ccc(cc4C)OC	0YH	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1h-pyrazol-5-yl]urea
+c1ccc(c(c1)CNc2c(nccn2)C(=O)N)Cl	0YI	3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc4c3[nH]c(c4)C(=O)NC(C)C	0YJ	7-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)-n-(propan-2-yl)-1h-indole-2-carboxamide
+CC1=CN2CCS(=O)(=O)N=C2C(=N1)c3ccc(cc3)OC4CCCCC4	0YK	7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)O	0YL	(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoic acid
+Cc1c(csc1CCO)Cc2cnc(nc2N)C	0YN	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol
+COc1cnc(nc1c2cc3c([nH]2)CCNC3=O)c4cc5ccccc5nc4	0YO	2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+COc1ccccc1C(=C(C(=O)N2CCCCC2)NC(=O)c3ccc(cc3)[N+](=O)[O-])Br	0YP	n-[(1e)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)NCCNC(=O)CN(CC(=O)O)CC(=O)O)O)O	0YQ	2,2'-[(2-{[2-({[(2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name)
+C([C@H]([C@H]([C@H](C(=O)NO)O)O)O)O	0YR	(2r,3r,4r)-n,2,3,4,5-pentakis(oxidanyl)pentanamide
+c1c(cc(c(c1Cl)O)Cl)C(=O)N[C@@H](C[C@H]2CC[C@@](N2)([C@H]([C@H](C(=O)O)N)O)C(=O)O)C(=O)O	0YS	(5r)-2-[(1s,2r)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2s)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-l-proline
+CC(=O)NC1C(C(C(SC1O)CO)O)O	0YT	2-acetamido-2-deoxy-5-thio-beta-d-glucopyranose
+c1cc(ccc1c2[nH]ccn2)NC(=O)c3ccc(cc3[N+](=O)[O-])C(=O)Nc4ccc(cc4)C5=NCCN5	0YU	n~4~-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]-n~1~-[4-(1h-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide
+c1cc(cc(c1)C#Cc2cc(cc(c2)Br)CCN)C#Cc3cc(cc(c3)Br)CCN	0YV	2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine
+CCCCCCCCCCOc1cccc(c1)C(=O)Nc2ccc(cc2C(=O)O)[N+](=O)[O-]	0YW	2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid
+CCCCCCCCOc1cccc(c1)COc2ccc(cc2P(=O)(O)O)Br	0YX	(5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid
+CCCCCCCCOc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O	0YY	(2z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid
+CCCCCCCCCCOc1cccc(c1)C(=O)/C=C(/C(=O)O)\O	0YZ	(2z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid
+	0Z0	n-(trifluoroacetyl)-l-phenylalanyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
+CC(C)c1ccc(cc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F	0Z1	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-prolinamide
+CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)C(F)(F)F)NC(=O)C(F)(F)F	0Z2	n-(trifluoroacetyl)-l-leucyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
+CC(C)c1ccc(cc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F	0Z3	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-phenylalaninamide
+CC(C)C[C@@H](C(=O)Nc1ccc(cc1)C(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F	0Z4	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-leucinamide
+c1ccc(cc1)C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N	0Z6	d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O	0Z7	n-acetyl-d-phenylalanyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide
+CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)NO)NC(=O)OCc1ccccc1	0Z9	n-[(benzyloxy)carbonyl]-l-leucyl-n-hydroxy-l-alaninamide
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)ON4)Cl)C	0ZA	3-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2h)-one
+	0ZB	n-benzyl-n~2~-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-alpha-asparagine
+	0ZC	(3r)-2-[n-(furan-2-ylcarbonyl)-l-leucyl]-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid
+CC(C)[C@H](C(=O)O)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)O)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5	0ZD	n,n'-bis(2-[(biphenyl-4ylsulfonyl)[(2r)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-amino]ethyl)benzene-1,3-dicarboxamide
+c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](c4nc5ccccc5s4)O)N	0ZE	[[[(4s,5s)-4-[[(3s,6s,8ar)-6-azanyl-5-oxo-6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizin-3-yl]carbonylamino]-5-(1,3-b enzothiazol-2-yl)-5-hydroxy-pentyl]amino]-azanyl-methylidene]azanium
+[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)\N	0ZG	3-[(2s)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
+	0ZI	amino{[(4s)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)C(CCl)O)NC(=O)CS	0ZJ	n-(sulfanylacetyl)-d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-prolinamide
+CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O	0ZL	n-(ethoxycarbonyl)-l-leucyl-n-[(1r,2s,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-l-leucinamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O	0ZN	n-[(1r)-1-carboxy-3-phenylpropyl]-l-leucyl-l-tryptophan
+C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](CCl)O)NC(=O)CCC(=O)O	0ZO	n-(3-carboxypropanoyl)-l-alanyl-l-alanyl-n-[(2s,3s)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-l-prolinamide
+CC[C@H](C)CNC(=O)[C@H](CC(C)C)C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)O	0ZP	n-[(1r,2r,4r)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2r)-2-methylbutyl]carbamoyl}heptyl]-3-(1h-imidazol-3-ium-4-y l)-n~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-l-alaninamide
+CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N)Cc3ccccc3	0ZQ	n-{(3s)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O	0ZR	n-{(2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-glutaminyl-l-phenylalaninamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O	0ZS	n-{(2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O	0ZT	n-{(2s,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide
+B([C@H](CCCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(O)OCCCO	0ZW	n-(tert-butoxycarbonyl)-l-alanyl-n-{(1s)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-l-valinamide
+	0ZX	n-(tert-butoxycarbonyl)-l-alanyl-n-[(1s)-5-amino-1-(diethoxyboranyl)pentyl]-l-valinamide
+B([C@H](CCCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(O)OC	0ZY	n-(tert-butoxycarbonyl)-l-alanyl-n-{(1r)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-l-valinamide
+CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)[C@@H](CSCc1ccccc1)O)NC(=O)Cc2cc(ccc2OC)Br	0ZZ	5-s-benzyl-3-({n-[(5-bromo-2-methoxyphenyl)acetyl]-l-valyl}amino)-2,3-dideoxy-5-thio-d-erythro-pentonic acid
+c1cc2c(cc1Cl)c(c[nH]2)C(=O)/C=C(/c3n[nH]nn3)\O	100	1-(5-chloroindol-3-yl)-3-hydroxy-3-(2h-tetrazol-5-yl)-propenone
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N	101	2'-deoxy-adenosine 3'-monophosphate
+c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N	102	gamma-deoxy-gamma-sulfo-guanosine-5'-triphosphate
+C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O	103	2',5'-dideoxy-adenosine 3'-monophosphate
+C(CNCCNCCN)N	104	n,n'-bis(2-aminoethyl)-1,2-ethanediamine
+B(CNC(=O)c1c(onc1c2ccccc2Cl)C)(O)O	105	n-[5-methyl-3-o-tolyl-isoxazole-4-carboxylic acid amide] boronic acid
+c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N	106	4-[(2z)-2-(5-bromo-2-oxo-1,2-dihydro-3h-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide
+c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)NCC3=C4c5c(ncs5)C=CC4=NC3=O	107	4-[(7-oxo-7h-thiazolo[5,4-e]indol-8-ylmethyl)-amino]-n-pyridin-2-yl-benzenesulfonamide
+C[C@@H](C(=O)O)NCc1cc(ccc1O)C(=N)N	108	2-(5-carbamimidoyl-2-hydroxy-benzylamino)-propionic acid
+C[C@@H](C(=O)O)NCc1ccc(cc1O)C(=N)N	109	2-(4-carbamimidoyl-2-hydroxy-benzylamino)-propionic acid
+CCCCCCCCCC[N+](C)(C)CCCCCCCCCC	10A	didecyl-dimethyl-ammonium
+CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2	10B	n-2-(biphenyl-4-ylsulfonyl)-n-2-(isopropyloxy)-acetohydroxamic acid
+C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=NC3=O)N)O)COP(=O)(O)O	10C	4-amino-1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}pyrimidin-2(1h)-one
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CF	10D	(2e)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CN	10E	(2e)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate
+c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CN[C@@H]3[C@@H](N2)[C@@H](N[C@@H](N3)N)O)C=O	10F	n-({4-[{[(2r,4s,4ar,6s,8as)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-d-glutamic acid
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CS	10G	(2e)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate
+C[C@@H]1CCCCN1S(=O)(=O)c2ccc(cc2)N3C=CCC3=O	10H	1-(4-{[(2r)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2h-pyrrol-2-one
+[H]/N=C(\NCCC)/NC(=O)Nc1c(cccc1CC)CC	10I	n-(2,6-diethylphenyl)-n'-(n-propylcarbamimidoyl)urea
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)C(=O)c3ccccc3)c4cc(cs4)c5cccc(c5)C#N	10J	3-{5-[(2e,4ar,7ar)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+c1cc(sc1)c2ccc(cc2)CC(=O)Nc3cc(n[nH]3)C4CC4	10K	n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide
+c1cc2cn[nH]c2c(c1)N	10L	1h-indazol-7-amine
+CCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	10M	decyl 4-o-alpha-d-glucopyranosyl-1-thio-beta-d-glucopyranoside
+CN(c1c(cccn1)CNc2c3cc([nH]c3ncc2C#N)c4ccccc4)S(=O)(=O)C	10N	n-(3-{[(5-cyano-2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-n-methylmethanesulfonamide
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3cccc(n3)OC)c4cc(cs4)c5cccc(c5)C#N	10O	3-{5-[(2e,4ar,7ar)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+C[n+]1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	10P	d-phenylalanyl-n-[(1-methylpyridinium-3-yl)methyl]-l-prolinamide
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)C#N)c4cc(cs4)c5cccc(c5)C#N	10Q	2-{(2e,4ar,7ar)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile
+[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@@H](CCO)O)CCCCC(CC)(CC)O	10R	1-(2-[(r)-2,4-dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane
+[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@H](CCO)O)CCCCC(CC)(CC)O	10S	1-(2-[(s)-2,4-dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane
+Cc1ccc(cc1)c2c(c(nc(c2C(=O)O)C)CC(C)C)CN	10T	5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid
+c1cc(ccc1CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCC3)C(=N)N	10U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)OC)c4cc(cs4)c5cccc(c5)C#N	10V	3-{5-[(2e,4ar,7ar)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ccccc3)c4ccc(s4)c5ccc(c(c5)C#N)F	10W	2-fluoro-5-{5-[(2e,4ar,7ar)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile
+CC/C=C\C[C@H]1[C@@H](O1)C/C=C\CCCCCCCC(=O)O	10X	(9z)-11-{(2s,3s)-3-[(2z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid
+CC/C=C\C[C@H]1[C@H](O1)C/C=C\CCCCCCCC(=O)O	10Y	(9z)-11-{(2r,3s)-3-[(2z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid
+COCCNCc1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4	10Z	n-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine
+CCCCOC(=O)[C@H]([C@H](C1CCC(CC1)N)NC(=O)c2ccc3n2C(=O)CN(C3)S(=O)(=O)Cc4ccccc4)O	110	3-(4-amino-cyclohexyl)-2-hydroxy-3-[(4-oxo-2-phenylmethanesulfonyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carbonyl)-amino]-propionic acid butyl ester
+CCCCOc1ccc(cc1)S(=O)(=O)[N@@]2C[C@H](C[C@@H]2C(=O)NO)NS(=O)(=O)C	111	(1n)-4-n-butoxyphenylsulfonyl-(2r)-n-hydroxycarboxamido-(4s)-methanesulfonylamino-pyrrolidine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)SCC(=O)N)O)O)N	112	thiophosphoric acid o-((adenosyl-phospho)phospho)-s-acetamidyl-diester
+C[C@H]1CC2=C([C@@H](O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2	113	7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1h,3h-pyrano[4,3-b]chromene-9-carboxylic acid
+CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O	114	(3r,5r)-3,5-dihydroxy-7-[(1s,2s,8s,8ar)-2-methyl-8-{[(2s)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h eptanoic acid
+CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)O)O)O)c3ccc(cc3)F	115	(3r,5s,6e)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1h-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
+CC(C)c1c(c(c(c(n1)C(C)C)COC)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O	116	7-[4-(4-fluoro-phenyl)-5-hydroxymethyl-2,6-diisopropyl-pyridin-3-yl]-3,5-dihydroxy-heptanoic acid
+CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4	117	7-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]- 3,5-dihydroxy-heptanoic acid
+c1ccc(cc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4	118	tetraphenylantimonium ion
+c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4	119	tetraphenylphosphonium ion
+CCCCCCCCCCC(=O)O	11A	undecanoic acid
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](CCCCC)NC(=O)OCc2ccccc2)O	11B	(5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-3-oxo-5-pentyl-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+C(C[C@H](C(=O)O)N)CC(=O)O	11C	(2r)-2-aminohexanedioic acid
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O	11D	11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid
+c1cc2c(cc1C(=O)NCC(=O)O)sc(n2)N	11E	n-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine
+Cc1c(c(nc(n1)N)N)C#C[C@@H](C)c2ccc(c(c2)OC)c3ccccc3	11F	5-[(3s)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+CC[C@@H]1C(=O)N(c2cncnc2N1C3CCCC3)C	11G	(7r)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5h)-one
+c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O	11H	9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid
+Cc1ccccc1CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O	11I	methyl (z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3I	11J	n-biphenyl-3-yl-2-iodobenzamide
+c1cc(ccc1CC(=O)Nc2cc([nH]n2)C3CC3)OCCN4CCCC4	11K	n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
+CSc1c2ccccc2c(s1)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN	11M	1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine
+c1ccc(cc1)C=CC(=O)N2CCC3(CC2)COc4c3cc(cc4)CN	11N	1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine
+CCCCC[C@@H]1[C@H](O1)[C@H](\C=C/CCCCCCCC(=O)O)O	11O	(trans-12,13-epoxy)-11-hydroxy-9(z)-octadecenoic acid
+c1cncc2c1CC[C@H]2C(O)(P(=O)(O)O)P(=O)(O)O	11P	[(7r)-6,7-dihydro-5h-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)
+C1CCC(CC1)CN2CCC[C@H]2C(=O)O	11Q	1-(cyclohexylmethyl)-l-proline
+CN(C)c1cccc(c1)OCCCCCCCCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24	11R	ruthenium wire, 11 carbon linker
+c1cc2c(cc[nH]2)cc1Cl	11S	5-chloro-1h-indole
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCC3)\N	11U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide
+c1ccc(cc1)[C@H](Cn2c3c(cn2)c(nc(n3)SCCN4CCOCC4)Nc5ccccc5)Cl	11V	1-[(2r)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-n-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C[C@H](C[C@@H](C(=O)O)N)C(=O)O	11W	(4r)-4-[(2e)-3-{4-[(e)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-l-glutamic acid
+c1ccc(cc1)NCc2cccnc2	11X	n-(pyridin-3-ylmethyl)aniline
+c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3cc(cs3)Br)c4ccc(c(c4)C(=O)O)Cl)O	11Y	5-[(2r)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-chlorobenzoic acid
+C1CCC(CC1)CCCCCCCCCCC(=O)O	11Z	11-cyclohexylundecanoic acid
+c1cc2c(cc1C(=[NH2+])N)nc([nH]2)C3=CC=CNC3=O	120	2-(2-oxo-1,2-dihydro-pyridin-3-yl)-1h-benzoimidazole-5-carboxamidine
+c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O	121	2-(3-hydroxy-pyridin-2-yl)-1h-benzoimidazole-5-carboxamidine
+c1ccc(c(c1)c2[nH]c3cc(ccc3n2)C(=[NH2+])N)O	122	2-(2-hydroxy-phenyl)-3h-benzoimidazole-5-carboxamidine
+COc1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O	123	2-(2-hydroxy-5-methoxy-phenyl)-1h-benzoimidazole-5-carboxamidine
+c1ccc(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)O	124	2-(2-hydroxy-phenyl)-1h-indole-5-carboxamidine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCF	125	2'-o-fluoroethyl-5-methyl-uridine-5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCOCCOC	126	2'-o-methyl-[tri(oxyethyl)]-5-methyl-uridine-5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON	127	2'-o-aminooxy-ethyl-5-methyl-uridine-5'-monophosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N	128	spiro(2,4,6-trinitrobenzene[1,2a]-2o',3o'-methylene-adenine-triphosphate
+C(CP(=O)(O)O)N(C=O)O	129	[2(formyl-hydroxy-amino)-ethyl]-phosphonic acid
+C[C@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O	12A	2-methylthio-n6-(aminocarbonyl-l-threonyl)-adenosine-5'-monophosphate
+c1cc2cccc3c2c(c1)C(=O)N3	12B	benzo[cd]indol-2(1h)-one
+c1ccc2c(c1)[nH]c(n2)C3=C(c4cc(ccc4NC3=O)Cl)N[C@@H]5CN6CCC5CC6	12C	4-[(3s)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1h-benzimidazol-2-yl)-6-chloroquinolin-2(1h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[C@@]5(O4)[C@@H](C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N	12D	2',3'-o-[(1r,6r)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)
+c1cnccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	12E	n-{[(2e)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-d-glucopyranosylamine
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34[N@@]2[C@@H](C[C@@H]4c5cccc(c5OCc6ccccc6)F)O)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)O)O)O)O)O	12F	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(1r,3r,3as)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+c1ccc(c(c1)[C@H]2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4ccccc4Cl)Cl	12G	{4-[(2r)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid
+C(CCCCCC(=O)O)CCCCCO	12H	12-hydroxydodecanoic acid
+CN1CCN(CC1)c2c3ccccc3ncn2	12I	4-(4-methylpiperazin-1-yl)quinazoline
+CC(C)Oc1cccc(c1)NC(=O)c2ccccc2I	12J	2-iodo-n-[3-(1-methylethoxy)phenyl]benzamide
+CC1(CCCCC1)NC(=O)O	12K	(1-methylcyclohexyl)carbamic acid
+CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)O)C	12L	(1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
+CCc1ccccc1CO	12M	(2-ethylphenyl)methanol
+C1CC(C1)C[C@@H]([C@H](C(=O)O)O)N	12N	(2r,3s)-3-amino-4-cyclobutyl-2-hydroxybutanoic acid
+c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@H]5C(=O)O	12O	(1r,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	12P	dodecaethylene glycol
+CN1c2ccccc2C=CC1=O	12Q	1-methylquinolin-2(1h)-one
+c1ccc(cc1)NNc2c3cn[nH]c3ncn2	12R	4-(2-phenylhydrazinyl)-1h-pyrazolo[3,4-d]pyrimidine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN	12S	6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)
+c1cc(c(cc1C(=O)O)N)C(=O)O	12T	2-aminobenzene-1,4-dicarboxylic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCC3)\N	12U	n-cycloheptylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	12V	(2s,3r,4r,5s,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C1CCC(C1)OC(=O)O	12W	cyclopentyl hydrogen carbonate
+CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](NC4)C(=O)O	12X	(4r)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-proline
+CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](NC4)C(=O)O	12Y	(4r)-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-proline
+c1cc(cnc1)C(=O)c2c(nc(s2)NC3CCCCC3)N	12Z	[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
+[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3cccc(c3O)c4ccccc4)/N	130	2-(2-hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine
+c1ccc(cc1)c2cccc(c2O)c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N	132	6-chloro-2-(2-hydroxy-biphenyl-3-yl)-1h-indole-5-carboxamidine
+[H]/N=C(\c1cc2c(cc1F)[nH]c(n2)c3cccc(c3O)OCC(C)C)/N	133	6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1h-benzoimidazole-5-carboxamidine
+[H]/N=C(\c1cc2cc([nH]c2cc1F)c3cccc(c3O)O[C@H]4CCCC[C@@H]4C)/N	134	6-fluoro-2-[2-hydroxy-3-(2-methyl-cyclohexyloxy)-phenyl]-1h-indole-5-carboxamidine
+[H]/N=C(\c1ccc(cc1)NC(=O)c2ccccc2O)/N	135	n-(4-carbamimidoyl-phenyl)-2-hydroxy-benzamide
+[H]/N=C(\c1ccc(cc1Cl)NC(=O)c2cc(cc(c2O)I)C)/N	136	n-(4-carbamimidoyl-3-choro-phenyl)-2-hydroxy-3-iodo-5-methyl-benzamide
+c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	137	1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@](Cc2ccc3c(c2)c(nc(n3)N)O)(CNCC(=O)N[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)O	138	n-[5'-o-phosphono-ribofuranosyl]-2-[2-hydroxy-2-[4-[glutamic acid]-n-carbonylphenyl]-3-[2-amino-4-hydroxy-quinazolin-6-yl]-propanylamino]-acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=O)NC5=O)O)O)N	139	adenosine-5'-[trihydrogen diphosphate] p'-3'-ester with 2'-deoxyuridine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NS(=O)(=O)NC2=O	13A	7-(3,4-dihydroxy-5r-hydroxymethyltetrahydrofuran-2-yl)-2,2-dioxo-1,2r,3r,7-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-4s-one
+c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O	13C	(5e)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2h,12h)-dione
+C(CN)CN	13D	1,3-diaminopropane
+CSCC[C@@H](C(=O)O)NC[C@H](Cc1ccccc1)N	13E	n-[(2s)-2-amino-3-phenylpropyl]-l-methionine
+CN1Cc2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3	13F	3-methyl-2-oxo-n-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
+CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O	13H	(9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid
+CCO[C@H]([C@H]1CCC\C=C\CCNC(=O)c2c(cc(c(c2CC1=O)Cl)O)O)O	13I	(e)-ethyl 13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydrobenzo[c][1]azacyclotetradecine-10-carboxylate
+CCC(=O)N1CCC[C@@H](C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N	13J	3-{4-amino-1-[(3s)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide
+COc1ccc(cc1OC)Nc2cc(nc(n2)N3CCOCC3)c4cnc(nc4)N	13K	n~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N	13L	3-{4-amino-1-[(3r)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide
+CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)OC)C(=O)O	13M	(2s)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid
+c1ccc(cc1)CNC(=O)[C@@H]2CCC\C=C\CCNC(=O)c3c(cc(c(c3CC2=O)Cl)O)O	13N	(5e,10r)-n-benzyl-13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydro-2-benzazacyclotetradecine-10-carboxamide
+C(C(=O)COP(=O)(O)O)O	13P	1,3-dihydroxyacetonephosphate
+c1cc(cc(c1)Cl)[C@H]2C[C@@H](C(=O)N([C@@H]2c3ccc(cc3)Cl)CC4CC4)CC(=O)O	13Q	[(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid
+CCCCC[C@H](\C=C\C=C/CCCCCCCC(=O)O)OO	13R	13(r)-hydroperoxy-9(z),11(e)-octadecadienoic acid
+CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)OO	13S	13(s)-hydroperoxy-9(z),11(e)-octadecadienoic acid
+C\C=C/[C@H](C)[C@@H]1[C@@](O1)(C)[C@H]([C@H]2COC(=O)[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H](/C(=C/[C@@H](C(=O)CC[C@H](C2=O)C)C)/C)O)C)C)OC)O)O	13T	13-deoxytedanolide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCCC3)\N	13U	n-cyclooctylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3c(cnc(n3)N)OCCOC)O	13V	4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1h-indol-5-yl}-2-methylbut-3-yn-2-ol
+[H]/N=C/1\N[C@](CC(=O)N1C)(C)c2cc(cs2)c3cccc(c3)C#N	13W	3-{5-[(2e,4s)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile
+c1c(cc(cc1O)O)O	13X	benzene-1,3,5-triol
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3)Oc4cccc(c4)Cl)C(=O)O	13Y	2-(3-chlorophenoxy)-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
+CC(C)(C)c1nnc(o1)[C@@H]([C@@H]2C[C@@H](CN2C(=O)CNC(C)(C)CO)F)O	13Z	2-[(2-{(2s,4s)-2-[(r)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol
+CCCCCCCCCCCCCCCC(=O)NCC(=O)O	140	n-palmitoylglycine
+C1=C2C(=NC(=O)NC2=O)NN1	141	oxypurinol
+C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN	142	carbidopa
+C1=C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	143	s-2,3-dihydro-5-glycin-2-yl-isoxazol-3-yl-cysteine
+C[N+](CO)(CO)CO	144	tris-hydroxymethyl-methyl-ammonium
+c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	145	2-nitrophenyl beta-d-galactopyranoside
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4[nH]c5ccccc5n4)Cc6cccc(c6)C(=O)Nc7[nH]c8ccccc8n7)Cc9ccccc9)O)O	146	[4r-(4alpha,5alpha,6alpha,7alpha)]-3,3'-{{tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]bis(methylene)]bis[n-1h-benzimidazol-2-ylbenzamide]
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	147	4-nitrophenyl beta-d-galactopyranoside
+C(CO)N(CCO)C(CO)(CO)CO	148	2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
+C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O	149	d-galactonolactone
+C=CCN(C1CCCC1)C(=O)c2cc(cc(c2)Cl)OCCCONC(=N)N	14A	n-allyl-5-amidinoaminooxy-propyloxy-3-chloro-n-cyclopentylbenzamide
+Cc1cc(c(c(c1)C(=O)O)N)C	14B	2-amino-3,5-dimethylbenzoic acid
+Cc1cccc2c1C(=O)N(C2=O)c3ccnc(c3)Cl	14C	2-(2-chloropyridin-4-yl)-4-methyl-1h-isoindole-1,3(2h)-dione
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3cccc(c3)Oc4cccc(c4)C(F)(F)F	14D	5-methyl-1-[(3s)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)O	14E	(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoic acid
+COc1cc(c(cc1OC)N)C(=O)O	14F	2-amino-4,5-dimethoxybenzoic acid
+CCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO	14H	n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
+c1cc2c(cc(o2)C(=O)O)c3c1ccc4c3cc(o4)C(=O)O	14I	naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid
+c1cc(oc1C(=O)O)Br	14J	5-bromofuran-2-carboxylic acid
+Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)OC)F)[C@@H](C)N4CCN(CC4)S(=O)(=O)C	14K	4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1r)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
+c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@@H]([C@H]([C@H](C6)O)O)O	14L	(11s,12s,13s)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol
+CCCSc1c(ccc(n1)N2CCC[C@H](C2)CC(=O)O)C(=O)NC3CCCCC3	14M	{(3s)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid
+CN1CCN(CC1)c2ccc(cc2)C(=O)O	14N	4-(4-methylpiperazin-1-yl)benzoic acid
+c1cc2c(cc[nH]2)cc1F	14O	5-fluoro-1h-indole
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc4c(c3)OCO4	14Q	5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine
+CCc1nc2c(n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C(=O)N(C=C2)Cc7ccccc7	14R	5-benzyl-2-ethyl-3-{(1s)-5-[2-(1h-tetrazol-5-yl)phenyl]-2,3-dihydro-1h-inden-1-yl}-3,5-dihydro-4h-imidazo[4,5-c]pyridin-4-one
+COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	14S	4-(cyclopentylamino)-2-[(2-methoxybenzyl)amino]-n-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
+c1cc(c(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C(F)F)F)F	14T	3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-d-glucopyranoside
+CCCCCCCCCCCCCCCC(=O)C(C)C(=O)O	14U	(2s)-2-methyl-3-oxooctadecanoic acid
+CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O	14V	3,5-dioxoicosanoic acid
+[H]/N=C(/C)\NCc1cccc(c1)CN	14W	n-(3-(aminomethyl)benzyl)acetamidine
+CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3	14X	3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1h)-one
+CCCCCCCC\C=C\CCCCCCCC(=O)OC	14Y	methyl(e)-octadec-9-enoate
+CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)N2)C	14Z	n-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
+Cc1cc(c(cc1C)N)N	150	4,5-dimethyl-1,2-phenylenediamine
+CC(C)[C@@H]([C@H]1[C@@H](CCN1C(=O)c2coc(n2)CN3CCCC3)NS(=O)(=O)C)C(=O)O	151	(2s)-3-methyl-2-((2r,3s)-3-[(methylsulfonyl)amino]-1-{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}pyrrolidin-2-yl)butanoic acid
+C[N+](C)(C)C[C@@H](CC(=O)O)O	152	carnitine
+c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(cc3Cl)Cl	153	(2s)-2-[(2,4-dichloro-benzoyl)-(3-trifluoromethyl-benzyl)-amino]-3-phenyl-propionic acid
+c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2ccc(s2)c3cc4ccccc4o3)C(=O)c5ccc(cc5Cl)Cl	154	(2s)-2-[(5-benzofuran-2-yl-thiophen-2-ylmethyl)-(2,4-dichloro-benzoyl)-amino]-3-phenyl-propionic acid
+CC(C)C1=NCCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N	155	6-[(z)-amino(imino)methyl]-n-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)-2-naphthamide
+CC1(CCC(c2c1ccc(c2)C(=O)\C=C\c3ccc(cc3)C(=O)O)(C)C)C	156	4-[3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid
+C1C[C@@H]([C@H](C1)O)[C@@H](CCCCC(=N)N)C=O	157	6-(2-hydroxy-cyclopentyl)-7-oxo-heptanamidine
+CC(=O)[C@H](CC(=O)O)NC(=O)CS	158	3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid
+c1cc(c(cc1S(=O)(=O)NCCS)C(=O)O)O	159	2-hydroxy-5-(2-mercapto-ethylsulfamoyl)-benzoic acid
+C(C/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)N	15A	(2z,3r,4s,5r,6r)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol
+c1c(cc(cc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN	15B	n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamide
+Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=O)C	15C	2-(4-acetylphenyl)-4-methyl-1h-isoindole-1,3(2h)-dione
+CN1Cc2cc(ccc2NC1=O)Br	15E	6-bromo-3-methyl-3,4-dihydroquinazolin-2(1h)-one
+[H]/N=C(/C(Cl)(Cl)Cl)\OCc1cc[n+](cc1)Cc2ccccc2	15F	1-benzyl-4-({[(1e)-2,2,2-trichloroethanimidoyl]oxy}methyl)pyridinium
+COc1cnc(cc1c2cc3c([nH]2)CCNC3=O)COc4ccc(c(c4)F)F	15G	2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+C[C@@H](C1CCN(CC1)c2c(nccn2)Oc3ccc(cc3)Nc4nc5ccccc5s4)O	15H	(1s)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol
+c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	15I	6-(2,9-diazaspiro[5.5]undecan-9-yl)-9h-purine
+c1ccc2c(c1)[nH]c(n2)Nc3ccc(cc3)Oc4cccnc4N5CCC(CC5)CO	15J	(1-{3-[4-(1h-benzimidazol-2-ylamino)phenoxy]pyridin-2-yl}piperidin-4-yl)methanol
+[C@@H]1([C@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O	15L	d-galactaro-1,5-lactone
+CCNC(=O)CCC\C=C/C[C@H]1[C@H](C[C@H]([C@@H]1\C=C\[C@H](CCc2ccccc2)O)O)O	15M	(5z)-7-{(1r,2r,3r,5s)-3,5-dihydroxy-2-[(1e,3s)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl}-n-ethylhept-5-enamide
+c1ccc2c(c1)OC[C@@H](O2)C(=O)O	15N	(2r)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
+c1ccc2c(c1)cccc2Cl	15O	1-chloronaphthalene
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	15P	polyethylene glycol (n=34)
+c1cc(c(cc1c2ccc(c(c2Cl)/C=N/O)O)F)O	15Q	2-chloro-3'-fluoro-3-[(e)-(hydroxyimino)methyl]biphenyl-4,4'-diol
+c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCC(CC4)C(=O)N5CCc6cccc7c6[C@@H]5CNC7=O)F	15R	(9ar)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7h-benzo[de][1,7]naphthyridin-7-one
+C[C@@H](C(=O)N1CCC(=CC1)c2ccc(cc2)F)NC(=O)CN3CCc4cccc5c4[C@@H]3CNC5=O	15S	n-{(2s)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2h)-yl]-1-oxopropan-2-yl}-2-[(9ar)-7-oxo-2,3,7,8,9,9a-hexahydro-1h-benzo[de][1,7]naphthyridin-1-yl]acetamide
+C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CCC#N)cc[nH]3)O	15T	3-(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)propanenitrile
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CC[C@H](C[C@@H]1C(=O)O)C)NS(=O)(=O)c2cccc3c2NC[C@H](C3)C	15U	(2r,4r)-4-methyl-1-(n~2~-{[(3s)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-l-arginyl)piperidine-2-carboxylic acid
+Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4	15V	n-[1-(3-chlorophenyl)-3-methyl-1h-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+COc1ccc(cc1)C2=CC(=O)c3ccc(cc3O2)O	15W	7-hydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one
+COc1ccc(c(c1c2cccc(c2)N(=O)=O)F)Cc3ccc(cc3)NC(=O)N	15X	1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea
+C[C@H]1Cc2cccc(c2NC1)S(=O)(=O)O	15Y	(3s)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonic acid
+c1cc(c(cc1C2=CC(=O)c3ccc(cc3O2)O)O)O	15Z	2-(3,4-dihydroxyphenyl)-7-hydroxy-4h-chromen-4-one
+CC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1cccc(c1)CSSCCNC(=O)c2ccc(s2)S(=O)(=O)C	160	3-(3-{2-[(5-methanesulfonyl-thiophene-2-carbonyl)-amino]-ethyldisulfanylmethyl}- benzenesulfonylamino)-4-oxo-pentanoic acid
+CC(=O)[C@H](CC(=O)O)NC(=O)c1ccc(cc1)CNS(=O)(=O)c2ccc(c(c2)C(=O)O)O	161	5-[4-(1-carboxymethyl-2-oxo-propylcarbamoyl)-benzylsulfamoyl]-2-hydroxy-benzoic acid
+Cn1cc(cc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O	162	(2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-3-ylmethyl)-carbamoyl]-pyrrol-1-yl} -1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid
+Cn1c(ccc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O	163	(2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-2-ylmethyl)-carbamoyl]-pyrrol-1-yl}- 1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid
+C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)O)C(=O)O)O	164	2-(3-carboxypropionyl)-6-hydroxy-cyclohexa-2,4-diene carboxylic acid
+c1ccc(cc1)CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)Nc4ccc5c(c4)sc(n5)N	165	n-(benzylsulfonyl)-3-cyclohexylalanyl-n-(2-amino-1,3-benzothiazol-6-yl)prolinamide
+c1cc(ccc1c2ccc3c(c2)[C@@H]([C@H](C3)O)[C@@H](CCCCC(=N)N)C(=O)O)O	166	6-carbamimidoyl-2-[2-hydroxy-6-(4-hydroxy-phenyl)-indan-1-yl]-hexanoic acid
+COc1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O	167	6-carbamimidoyl-2-[2-hydroxy-5-(3-methoxy-phenyl)-indan-1-yl]-hexanoic acid
+CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COC(=O)C(C)(C)C)O	168	pantothenyl-aminoethanol-acetate pivalic acid
+CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N[C@@H]([C@@H](CCCNC(=N)N)C=O)C(=O)O	169	1-(4-tert-butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid
+CCCCCCCCCCCCCCCC[N+](C)(C)C	16A	cetyl-trimethyl-ammonium
+C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	16B	n-hydroxycytidine 5'-(dihydrogen phosphate)
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O	16C	n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)palmitamide
+C(CCCN)CCN	16D	hexane-1,6-diamine
+C(CCCCCCCC(=O)O)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	16E	n-(16-carboxyhexadecanoyl)-l-glutamic acid
+c1cc(cc(c1)O)/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	16F	n-({(2z)-2-[(3-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O	16G	2-acetamido-2-deoxy-6-o-phosphono-alpha-d-glucopyranose
+CCCCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO	16H	n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)NC(=O)c4cccs4	16I	n-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide
+c1cc(ccc1N2CCN(CC2)C(=O)N3CCOCC3)Cl	16J	[4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-]	16K	4-(2,4-dimethyl-1,3-thiazol-5-yl)-n-(3-nitrophenyl)pyrimidin-2-amine
+Cc1cc(cc(c1O)C)/C=C/c2cccc(c2)NC(=O)C=C	16L	n-{3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide
+CCSc1ccccc1	16M	(ethylsulfanyl)benzene
+c1ccc2c(c1)CCC2	16N	2,3-dihydro-1h-indene
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br	16O	n-({(2e)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+CCOCCOCCOCCOCCOCCOCC	16P	3,6,9,12,15,18-hexaoxaicosane
+CCOc1ccccc1	16Q	ethoxybenzene
+CSc1ccccc1	16R	(methylsulfanyl)benzene
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(c(c3)O)O	16S	2-(3,4-dihydroxyphenyl)-4h-chromen-4-one
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)S(=O)(=O)c3ccc(c(c3)Oc4cccc(c4)Cl)O	16T	1-[(3s)-1-{[3-(3-chlorophenoxy)-4-hydroxyphenyl]sulfonyl}piperidin-3-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl	16U	n-(3-chlorobenzyl)-1-(4-methylpentanoyl)-l-prolinamide
+Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O	16V	3-[3-(3,5-dimethyl-1h-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid
+c1cc(cc(c1)Cl)OCc2c3c(ncnc3n(n2)C4CCOCC4)N	16W	3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)n4oo4	16X	4-(2-amino-4-methyl-1,3-thiazol-5-yl)-n-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine
+C(CCCCCCCC(=O)O)CCCCCCCO	16Y	16-hydroxyhexadecanoic acid
+C[C@H]1[C@H]([C@H]([C@@H](N1C)c2ccc(cc2)OC)O)O	16Z	(2s,3s,4r,5s)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol
+c1cc[n+](c(c1)C(CNC2=NC=C(N(C2=O)CC(=O)NCc3cc(ccc3n4cnnn4)Cl)Cl)(F)F)[O-]	170	(2-[6-chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-2-oxopyrazin-1(2h)-yl]-n-[5-chloro-2-(1h-tetrazol-1-yl)benzyl]acetamide
+c1ccc(cc1)NCCS(=O)(=O)O	171	2-phenylamino-ethanesulfonic acid
+c1cc2c(cc1O)nc([nH]2)N	172	2-amino-5-hydroxy-benzimidazole
+c1ccc(cc1)C(=O)C(=O)O	173	benzoyl-formic acid
+c1cc(ccc1C(=O)O)Cl	174	4-chloro-benzoic acid
+C[C@@H](C1NC(C(=O)N1CC(=O)O)CN)N	175	3,5-dihydro-5-methylidene-4h-imidazol-4-on
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4Cl)Cl)N	176	1-(2-amino-3,3-diphenyl-propionyl)-pyrrolidine-3-carboxylic acid 2,5-dichloro-benzylamide
+CCNC(=O)COc1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C3CCCCC3)N)Cl	177	1-[2-amino-2-cyclohexyl-acetyl]-pyrrolidine-3-carboxylic acid 5-chloro-2-(2-ethylcarbamoyl-ethoxy)-benzylamide
+CC(C)c1cc(ccc1O)Sc2ccc(c(c2)C(C)C)O	178	4-(4-hydroxy-3-isopropylphenylthio)-2-isopropylphenol
+c1ccc2cc(ccc2c1)NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	179	n-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-d-glucopyranosylamine
+CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O	17A	(2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-{(1r)-1-[(biphenyl-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid
+C(CC/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)CN	17B	(2z,3r,4s,5r,6r)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol
+c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O	17C	2,2'-iminodibenzoic acid
+c1ccc(cc1)Cc2ccccc2C(=O)O	17D	2-benzylbenzoic acid
+CC1=CNC(=O)N=C1N	17E	5-methylcytosine
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC	17F	o-[(s)-({(2r)-2,3-bis[(9z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-l-serine
+c1cc(cc(c1)N2c3c4cc(ccc4ncc3C=CC2=O)c5ccc(nc5)N)C(F)(F)F	17G	9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1h)-one
+CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O	17H	17-hydroxy-18a-homo-19-nor-17alpha-pregna-4,9,11-trien-3-one
+[H]/N=C(\NC)/NC(=O)Nc1c(cccc1CC)CC	17I	n-(2,6-diethylphenyl)-n'-(n-methylcarbamimidoyl)urea
+c1ccc(cc1)c2nc(sn2)N3CCN(CC3)C(=O)Nc4cccnc4	17J	4-(3-phenyl-1,2,4-thiadiazol-5-yl)-n-(pyridin-3-yl)piperazine-1-carboxamide
+C[C@](COC(=O)Cc1ccccc1)([C@H](C(=O)O)Nc2c(cc3n2cccc3)C=O)S(=O)O	17K	(3r)-n-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-d-valine
+CCOc1cc2ccccc2c(c1)CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC	17L	(9as)-8-acetyl-n-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
+C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@]2(C)O)O	17M	17-methyl-17-alpha-dihydroequilenin
+COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)C(=O)O	17N	8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid
+c1c2n(nc1C3C(=CNC(=CS3)C(=O)O)C=O)CSC2	17O	(7r)-6-formyl-7-(4h-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid
+Cn1cc(cn1)c2ccc3c(c2)[nH]c4c3c(ncc4C(=O)N)NC5CCCCC5	17P	1-(cyclohexylamino)-7-(1-methyl-1h-pyrazol-4-yl)-5h-pyrido[4,3-b]indole-4-carboxamide
+CN(C)CCCCCOC1CCCCCCCCCCC1	17Q	1.7.6 5-cyclododecyloxy-n,n-dimethyl-pentan-1-amine
+C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2cccc(c2)n3cncn3)c4ccc(cc4C(F)(F)F)F	17R	(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1h-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine
+COc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	17S	n-({(2e)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl	17T	n-({(2e)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+CC(C)C[C@@H]([C@H](C(=C)C)O)N	17U	(3s,4s)-4-amino-2,6-dimethylhept-1-en-3-ol
+CC(C)n1c(ncn1)c2cc3c(s2)-c4ccc(cc4OCC3)C(=O)N	17V	2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide
+c1ccc(cc1)OCCSc2[nH]c3ccccc3n2	17W	2-[(2-phenoxyethyl)sulfanyl]-1h-benzimidazole
+c1ccc(cc1)Cn2c3ccccc3nc2N4CCC(CC4)C(=O)OC[C@H](C5CCNCC5)n6c7ccccc7nc6c8ccccc8	17X	(2s)-2-(2-phenyl-1h-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1h-benzimidazol-2-yl)piperidine-4-carboxylate
+C1C[C@H]([C@H](C1)O)O	17Y	(1r,2s)-cyclopentane-1,2-diol
+Cc1cc(c2ccccc2c1O)O	17Z	2-methylnaphthalene-1,4-diol
+c1cc(cnc1)S(=O)(=O)N[C@H](CNC(=O)c2cc3cc(sc3s2)CCC4CCNCC4)C(=O)O	180	2-(s)-[n-(3-pyridylsulfonyl)amino]-3-[[2-carbonyl-5-[2-(piperidin-4-yl)ethyl]-thieno[2,3-b]thiopheneyl]amino]-propionic acid
+c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO	181	1-((2-hydroxyethoxy)methyl)-5-(phenylthio)pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO	182	1-((2-hydroxyethoxy)methyl)-5-(phenylselanyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO	183	1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)pyrimidine-2,4(1h,3h)-dione
+CC1(CCC(c2c1ccc(c2)[C@H](c3ccc4cc(ccc4c3)C(=O)O)O)(C)C)C	184	6-[hydroxy-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic acid
+Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)CO)Br)C)C#N	185	(6-[4-(aminomethyl)-2,6-dimethylphenoxy]-2-{[4-(aminomethyl)phenyl]amino}-5-bromopyrimidin-4-yl)methanol
+C[C@@H](\C=C\C(=O)C=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2	186	[1-(1-methyl-4,5-dioxo-pent-2-enylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
+c1ccc2c(c1)ncn2c3ccc(c(c3)F)NC(=O)c4cc(nn4c5cccc(c5)C(=N)N)C(F)(F)F	187	1-{3-[amino(imino)methyl]phenyl}-n-[4-(1h-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
+C[N@@]12[C@H]3CS[C@@H]1[C@H]4CSC5=[N]4[Fe]2(Oc6c5cccc6)OC3=O	188	pyochelin fe(iii)
+Cc1cccc(c1OCC(=O)N(Cc2ccccc2)C[C@H]3CNC[C@@H]3C[N@@](CC(C)C)S(=O)(=O)c4ccccc4)C	189	n-benzyl-2-(2,6-dimethylphenoxy)-n-[((3r,4s)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide
+CCC(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C	18A	n-{4-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide
+CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C	18B	3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O	18C	n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)stearamide
+CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	18D	3,5-dideoxy-5-(propanoylamino)-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+Cc1cnc(c2c1[nH]c3c2ccc4c3ccc(c4)O)Cl	18E	7-chloro-10-methyl-11h-benzo[g]pyrido[4,3-b]indol-3-ol
+c1ccc(cc1)Cn2c3ccccc3nc2c4ccccc4	18F	1-benzyl-2-phenyl-1h-benzimidazole
+Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(c(cc2OC)c3ccccc3)OC	18G	5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2ccc(cc2OC)c3ccccc3	18H	5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F	18I	3,3'-difluoro-n-[(2s)-3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide
+CCS(=O)(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C	18J	n-{4-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide
+Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N(C)C	18K	n'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n,n-dimethylbenzene-1,4-diamine
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	18L	(2r)-2-hydroxy-3-(phosphonooxy)propyl (9z,12z)-octadeca-9,12-dienoate
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)COP(=O)(O)O)OP(=O)(O)O	18M	2'-o-methylguanosine 3',5'-bis(dihydrogen phosphate)
+c1cc2cccc3c2c(c1)C(=O)NC3=O	18N	1h-benzo[de]isoquinoline-1,3(2h)-dione
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]	18O	n-({(2e)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+C[C@]1(C(=O)N(CC(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)Cl	18P	n-{3-[(2r)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide
+c1cc(sc1)CNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	18Q	2'-deoxy-5-[(thiophen-2-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
+CC(C)(C)c1cccc(c1)NC(=O)c2cccc(c2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N	18R	3-{1-[(3r)-1-acryloylpiperidin-3-yl]-4-amino-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-(3-tert-butylphenyl)benzamide
+Cc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	18S	n-({(2e)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O	18T	[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl (2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+c1cc(ccc1CNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O	18U	3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid
+CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N	18V	2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
+Cc1c(c(c([nH]1)/C=C\2/C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	18W	3-[(5z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]propanoic acid
+COC(=O)/C(=C\1/N(C(=O)CS1)c2ccc(cc2F)c3ccccc3)/C#N	18X	methyl (2z)-cyano[3-(3-fluorobiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
+Cc1cc2c(c(c3c(c2OC)CCCC3=O)O)c4c1[C@H]5[C@H]6[C@@](O4)([C@]([C@@](O5)(O6)C(OC)OC)(C)O)O[C@H]7C[C@H]([C@]([C@@H](O7)C)(C(=O)C)O)O	18Y	trioxacarcin a analogue, bound form
+c1c(c(cc(c1[N+](=O)[O-])NCCN2CCNCC2)NCc3cnc(nc3)N)C(=O)N	18Z	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2cccc(c2)Br)[C@@H](C[C@H](CC(C)C)S(=O)(=O)c3ccc(cc3)F)O)C	190	n-{(1s)-1-(3-bromobenzyl)-4-[(4-bromophenyl)sulfonyl]-6-methyl-2-oxoheptyl}-2-(2,6-dimethylphenoxy)acetamide
+CCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]2cnc-3c([nH]cnc23)N)O)OP(=O)(O)O)O	191	propionyl coenzyme a
+C1CC(C1)(C(=O)O)N	192	1-aminocyclobutanecarboxlic acid
+C(CNC(=O)CCN)[C@@H](C(=O)O)N	193	(2s)-4-(beta-alanylamino)-2-aminobutanoic acid
+c1ccc(c(c1)NC(=O)c2cccc(c2)[N+](=O)[O-])Oc3ccc(c(c3)C(=O)O)C(=O)O	194	4-{2-[(3-nitrobenzoyl)amino]phenoxy}phthalic acid
+c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc(c(c2)NC(=O)c3cccc(c3)[N+](=O)[O-])Oc4ccc(c(c4)C(=O)O)C(=O)O	195	4-{2,4-bis[(3-nitrobenzoyl)amino]phenoxy}phthalic acid
+c1cc(cc2c1cc(cc2C#N)c3ccc(c(c3)F)O)O	196	3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile
+CC(=O)N[C@@H](Cc1ccc(c(c1)C=O)C(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	197	4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-formyl-benzoic acid
+C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O	198	r-bicalutamide
+CN1CCN(CC1)c2ccc(cc2)c3cc4c(c[nH]c4nc3)NC(=O)c5cccnc5	199	n-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide
+CN(C)C(=O)c1cc(c[nH]1)c2c(c[nH]n2)c3ccccc3	19A	n,n-dimethyl-4-(4-phenyl-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide
+Cc1ccc(cc1c2ccc3c(c2)onc3C4CCNCC4)C(=O)Nc5cccc(c5)N6CCOCC6	19B	4-methyl-n-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide
+c1cc(c(cc1CN2Cc3ccc(c(c3C2=O)O)O)Cl)F	19C	2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)F)O	19D	(1r,2r,3r,4r,5r,7r)-2-(acetylamino)-7-[(1r)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
+Cc1cnc(c2c1[nH]c3c2c4ccc(cc4cc3)O)Cl	19E	11-chloro-8-methyl-7h-benzo[e]pyrido[4,3-b]indol-3-ol
+Cc1c2n(c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC	19F	2-(3,4-dimethoxybenzyl)-7-[(2r,3r)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3h)-one
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O	19G	3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(cc3[nH]c2C(=O)O)Cl	19H	6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1h-indole-2-carboxylic acid
+c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)NCC(=O)NCC(=O)O	19J	2-[2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)[N+](=O)[O-])N(C)C	19K	n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n~1~,n~1~-dimethyl-2-nitrobenzene-1,4-diamine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)c3cnc4c(n3)NC(=NC4=O)N	19L	(2s)-2-[[(2s)-2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]-3-oxidanyl-propanoyl]amino]-3-(1h-indol-3-yl)propanoic acid
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)CNC(=O)c3cnc4c(n3)NC(=NC4=O)N	19M	(2s)-2-[[(2s)-2-[2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
+[H]/N=C(\N)/NCCCC[C@H](N)P(=O)(O)O	19N	[(1r)-1-amino-5-carbamimidamidopentyl]phosphonic acid
+	19O	natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-octahydro-5,22:7,20:9,18:11,16-tetramethanononacen-8,19-bisphosphate
+Cc1ccc(cn1)c2ccc3c(n2)c4c(cn3)N(C(=O)N4C5CCN(CC5)C(=O)[C@H](C)O)C	19P	1-{1-[(2s)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2h-imidazo[4,5-c][1,5]naphthyridin-2-one
+C[C@@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	19Q	2-cyclopropyl-n-[(2s)-3-hydroxy-3-methylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+C[C@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	19R	2-cyclopropyl-n-[(2r)-3-hydroxy-3-methylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+C[C@H](C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	19S	2-cyclopropyl-n-[(2r)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CCc1c(nc(nc1Nc2ccc(cc2)CC(=O)O)c3ccc(s3)Cl)C	19T	(4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid
+CC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N	19U	1-[(2r)-2-aminobutanoyl]-n-(3-chlorobenzyl)-l-prolinamide
+CC(C)(C)N1CCN(CC1)c2ccc(nc2)N3CCN(c4c3cccc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)C(=O)N	19V	4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-n-[(1r,2s,3s,5s,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2h)-carboxamide
+C(C[C@@H](C(=O)O)N)CON	19W	5-(aminooxy)-l-norvaline
+CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4ccc5c(c4)C(=O)N=C5)Cl	19X	6-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1h-isoindol-1-one
+CCc1c(c2c([nH]1)nc(nc2OC)Sc3cccnc3)C=O	19Y	6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
+c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])O	19Z	2-[(4-hydroxybenzyl)amino]-5-nitrobenzamide
+CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nccn5)nc4)Cl	1A0	(3r)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
+c1cc(cnc1)c2nc3c(nc(nc3s2)NC(=O)C4CC4)n5ccnc5	1A1	n-[7-(1h-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide
+CCN1c2c(ccc(c2C(=NC13CCN(CC3)C(=O)C4=CN=C(CC4)C#N)N)F)F	1A2	5-(4'-amino-1'-ethyl-5',8'-difluoro-1'h-spiro[piperidine-4,2'-quinazoline]-1-ylcarbonyl)picolinonitrile
+c1ccc(cc1)CS(=O)(=O)Nc2cccc(c2)C3=CSC(=O)N3	1A3	n-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide
+c1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3	1A4	n-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
+c1cc(ccc1C(=O)N)N2CCOC2=O	1A5	4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
+Cc1cc(on1)CSc2nnc3n2cccc3	1A6	3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine
+c1ccc(c(c1)C2=CSC(=O)N2)F	1A7	4-(2-fluorophenyl)-1,3-thiazol-2(3h)-one
+CCCC(=O)Nc1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3	1A8	n-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide
+c1cc(sc1)S(=O)(=O)Nc2cc(cc(c2)NC(=O)CCC3CCCCC3)C4=CSC(=O)N4	1A9	3-cyclohexyl-n-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide
+c1ccc(c(c1)C(=O)OCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N	1AA	5'-o-[({[(2-{[(2-aminophenyl)carbonyl]oxy}ethyl)oxy]phosphinato}oxy)phosphinato]cytidine
+C1[C@H]([C@@H]([C@H](N1)CO)O)O	1AB	1,4-dideoxy-1,4-imino-d-arabinitol
+C1CC1(C(=O)O)N	1AC	1-aminocyclopropanecarboxylic acid
+CC#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN	1AD	(1s)-2-[(2s,5r)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
+CCCC(=O)/C(=C/OP(=O)(O)O)/O	1AE	(1z)-2-hydroxy-3-oxohex-1-en-1-yl dihydrogen phosphate
+c1cc(ccc1c2cc(oc2)c3ccc(cc3)C(N)NC4CCCC4)C(N)NC5CCCC5	1AF	2,4-bis{[4-(n-cyclopentyldiaminomethyl)phenyl]}furan
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)O	1AG	(2s)-2,3-dihydroxypropyl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)Br)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	1AH	3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one
+Cc1ccccc1CNc2c(nccn2)C(=O)NCc3ccccc3C	1AI	~{n}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
+c1csc2c1CN(CC2)C(=O)n3ccnc3	1AJ	6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl(1h-imidazol-1-yl)methanone
+CS(=O)(=O)c1ccc(nc1)c2nnc(n2c3ccccc3Cl)/C=C/c4nnc(o4)c5ccc(cc5)C#N	1AK	4-{5-[(e)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4h-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile
+C(C(=O)[O-])(NC(=O)N)NC(=O)N	1AL	allantoate ion
+COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5	1AM	2-(6-methoxy-1-oxo-1,3-dihydro-2h-isoindol-2-yl)-n-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
+c1ccc(c(c1)N)F	1AN	2-fluoroaniline
+c1ccc2c(c1)cnn2c3nc(cs3)C(=O)Nc4ccccc4N5CCNCC5	1AO	2-(1h-indazol-1-yl)-n-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
+c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)N	1AP	2,6-diaminopurine nucleotide
+CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]3CCOc4c3cccc4)C(=O)[C@H](C5CCC(CC5)(F)F)NC(=O)[C@H](C)NC	1AQ	(3s,7r,8ar)-2-{(2s)-2-(4,4-difluorocyclohexyl)-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide
+C[C@H]1[C@@H]([C@@](C[C@H](O1)O)(C)O)OC(=O)C	1AR	4-o-acetyl-2,6-dideoxy-3-c-methyl-alpha-l-arabino-hexopyranose
+CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OC/C=C/C(=O)O)C=CC(O5)(C)C)C	1AS	(~{e})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O	1AT	beta-d-fructofuranosyl 6-o-decanoyl-alpha-d-glucopyranoside
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc4c3cccc4	1AU	1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-naphthalen-1-ylurea
+c1cc(cnc1)c2nc3c(nc(nc3s2)N)n4ccnc4	1AV	7-(1h-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccccc3	1AW	1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-phenylurea
+C([C@H](COC[C@@H](CO)O)O)O	1AX	(2r,2'r)-3,3'-oxydipropane-1,2-diol
+Cc1c(c(nc(n1)c2ccc(cn2)Cl)NC[C@@H](c3ccccc3)NCCCCc4ccccc4)Cl	1AY	(1r)-n~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-n~1~-(4-phenylbutyl)ethane-1,2-diamine
+Cn1c2c(nc1N3CCOCC3)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C	1AZ	1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1h-purine-2,6-dione
+Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c4ccccc4	1B0	n-methyl-nalpha-[(2-methyl-1h-indol-3-yl)acetyl]-n-phenyl-l-phenylalaninamide
+CC#Cc1cc(cnc1)c2cccc(c2)[C@@]3(N=C(C(=N3)N)C)C4CC4	1B1	(2r)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2h-imidazol-4-amine
+C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)c[nH]n3)N)O	1B2	n-{[3-(2h-indazol-5-yl)phenyl]sulfonyl}-l-threoninamide
+C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)nc(nc3N)Cl)N)O	1B3	n-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide
+CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3cc(c(c(c3)OC)OC)OC	1B4	n-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4ccc(cc4n(n3)C)Cl	1B5	2-(6-chloro-1-methyl-1h-indazol-3-yl)-n-(propan-2-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CC(C)(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4n(cn3)CCCC4	1B6	n-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CCCc1cscc1C[C@@H](C(=O)O)NC2=NC(Cc3c2ccc(c3)Cl)(C)C	1B7	n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-l-alanine
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3c(csc3Br)c4c[nH]nc4)C(=O)O)Cl)C	1B8	3-[2-bromo-4-(1h-pyrazol-4-yl)thiophen-3-yl]-n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-alanine
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3Br)C(=O)O)Cl)C	1B9	3-(4-bromothiophen-3-yl)-n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-alanine
+CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O	1BA	4-hydroxy-n'-(4-isopropylbenzyl)benzohydrazide
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)C(=CN4)C#N)Cl)C	1BB	2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
+CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C3=NC(=O)CC=N3)/N=C\4/c5ccc(cc5CC(N4)(C)C)Cl	1BC	2-{(1s)-1-{[(1z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]amino}-2-[2-propyl-4-(1h-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5h)-one
+c1ccc(c(c1)\C=N\OCCC(=O)O)C(F)(F)F	1BD	3-[({(1e)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid
+CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C(=O)O)NC3=NC(Cc4c3ccc(c4)Cl)(C)C	1BE	n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1h-pyrazol-4-yl)thiophen-3-yl]-l-alanine
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3c4c[nH]nc4)C(=O)O)Cl)C	1BF	n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1h-pyrazol-4-yl)thiophen-3-yl]-l-alanine
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCCc5c4cccc5)NC	1BG	(3s,8ar)-2-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
+C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)OCc3ccccc3)O	1BH	n-benzyloxycarbonyl-ala-pro-3-amino-4-phenyl-butan-2-ol
+c1ccc(cc1)S(=O)(=O)NC(=O)c2ccc3c(c2)n(c(c3C4CCCCC4)c5ccoc5)CC(=O)N6CCOCC6	1BI	3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-n-(phenylsulfonyl)-1h-indole-6-carboxamide
+c1ccc2c(c1)cnn2c3ccnc(n3)NC4CCC(CC4)O	1BJ	trans-4-{[4-(1h-indazol-1-yl)pyrimidin-2-yl]amino}cyclohexanol
+CS(=O)(=O)CCCOc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O	1BK	trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1h-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
+CC(C)(C)c1cccc(c1)C2(CCCCC2)NC[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)CC[C@H](C(=O)O)O)O	1BL	(2r)-5-{[(2s,3r)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid
+CCN(CC)CCNc1cc(nc(n1)n2cnc3c2cccc3)Nc4cc(ccc4C)O	1BM	3-{[2-(1h-benzimidazol-1-yl)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-yl]amino}-4-methylphenol
+c1ccc(cc1)Cn2ccnc2	1BN	1-benzyl-1h-imidazole
+CCCCO	1BO	1-butanol
+C[C@H](CBr)O	1BP	1-bromopropane-2-ol
+CN1c2ccc(cc2-c3c(cn[nH]3)S1(=O)=O)c4ccc(cc4)C(=O)N5CCC(CC5)CCO	1BQ	[4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone
+CC(C)(C)c1ccc(cc1)CNc2ccc3c(c2)-c4c(cnn4C)S(=O)(=O)N3C	1BR	n-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)c5cnccc5N4)Cl)C	1BS	2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1h)-one
+Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc5c(c4)ncs5)nc[nH]3)C)/C=C/C#N	1BT	(2e)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9h-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile
+Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)N	1BU	1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea
+Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CC/C=C/C/C=C/[C@@H](C(=O)N4C3)NC(=O)c6ccn(n6)C)C(=O)NS(=O)(=O)C7(CC7)C)OC(C)C)OC	1BV	(2r,6s,7e,10e,13ar,14ar,16as)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-n-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1h-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5h)-carboxamide
+CCCC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO	1BW	n-[(3s,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide
+CC1=CC(=O)N(C(=C1)Cc2ccc(cc2)O)O	1BX	1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1h)-one
+c1ccnc(c1)NCC(P(=O)(O)O)P(=O)(O)O	1BY	[2-(pyridin-2-ylamino)ethane-1,1-diyl]bis(phosphonic acid)
+CC1=CC(=O)N(C(=C1)Cc2ccccc2)O	1BZ	6-benzyl-1-hydroxy-4-methylpyridin-2(1h)-one
+B1(c2c(cc(cc2F)CN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O	1C0	5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide
+c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=[NH2+])N	1C1	amino({[(1r,2r)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1h-inden-2-yl]methyl}amino)methanimi nium
+CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@H]1C(=O)NC)NS(=O)(=O)O	1C2	3(s)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester
+COc1cc(cc(c1OC)OC)CN2CCC[C@H]2C(=O)O	1C3	1-(3,4,5-trimethoxybenzyl)-l-proline
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)N[C@@H](CCC(=O)O)C(=O)O)O	1C4	(2s)-2-({(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name)
+CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCC2CCCCC2)C(=O)N	1C5	[[o-phosphono-n-acetyl-tyrosinyl]-glutamyl-3[cyclohexylmethyl]alaninyl]-amine
+Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC	1C6	6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1h-benzimidazole
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C	1C7	(7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1h-imidazol-1-yl)-7,8-dihydropteridin-6(5h)-one
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5cscn5)C	1C8	(7r)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1h-imidazol-1-yl]-7,8-dihydropteridin-6(5h)-one
+COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	1C9	(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C	1CA	desoxycorticosterone
+C1CCC(C1)N	1CB	cyclopentanamine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C(=O)O)COP(=O)(O)O)O	1CC	5-carboxy-2'-deoxycytidine monophosphate
+C[C@@H]1C[C@H]2C[N@]1CCN3C(=O)c4cccc(c4N3)C5=Nc6c(cccc6O2)NC5=O	1CD	(13r,15s)-13-methyl-16-oxa-8,9,12,22,24-pentaazahexacyclo[15.6.2.16,9.1,12,15.0,2,7.0,21,25]heptacosa-1(24),2,4,6,17(25 ),18,20-heptaene-23,26-dione
+C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1	1CE	3-(1h-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCCO)O)O)O	1CF	2-hydroxyethyl 6-deoxy-beta-l-galactopyranoside
+c1ccc2c(c1)nc(o2)[C@H](Cc3ccc(cc3)NC(=O)C(=O)O)S(=O)(=O)Nc4ccc(cc4)F	1CG	[(4-{(2s)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid
+CC1(Cc2ccccc2C(=N1)N[C@@H](Cc3ccccc3)C(=O)O)C	1CH	n-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-phenylalanine
+c1cc(ccc1n2ccnc2)Cl	1CI	1-(4-chlorophenyl)-1h-imidazole
+CCO[C@H](c1cnn2c1cccc2)O	1CJ	(r)-ethoxy(pyrazolo[1,5-a]pyridin-3-yl)methanol
+Cc1cc(n[nH]1)NC(=O)c2ccc(cc2)Br	1CK	4-bromo-n-(5-methyl-1h-pyrazol-3-yl)benzamide
+[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58	1CL	fe(8)-s(7) cluster, oxidized
+CC[C@H](c1ccccc1)C(=O)Nc2ccncc2	1CM	(2r)-2-phenyl-n-pyridin-4-ylbutanamide
+c1c(cc(c(c1F)N)Cl)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N	1CN	5-{[(4-amino-3-chloro-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide
+C[C@@](CCS)(CC(=O)O)O	1CO	(3s)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid
+Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C	1CP	coproporphyrinogen i
+c1cc(ccc1c2c([nH]nc2Nc3ccc(cc3)O)c4ccc(cc4)O)O	1CQ	4,4'-{3-[(4-hydroxyphenyl)amino]-1h-pyrazole-4,5-diyl}diphenol
+COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O	1CR	popo-2-[4-(2-(4-(methoxy)-1h-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1h-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-a
+Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2Cl	1CS	1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea
+c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccccc2P(=O)(O)O	1CT	[2-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid
+[OH2][Cu+2]	1CU	copper ion, 1 water coordinated
+C[C@@](C[C@H](S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(CC(=O)O)O	1CV	(3r,5r,9r,19r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
+c1cc(c(c(c1)N)O)C(=O)O	1CW	3-amino-2-hydroxybenzoic acid
+c1cc(c(cc1I)F)N=C2C(C(=CC=C2C(=O)NOCCO)F)F	1CX	(5s)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-n-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide
+CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C	1CY	1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
+C[C@](CC(=O)O)(CC(=S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	1CZ	 (3s,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CNc2ccccc2O)/C(=O)O)O	1D0	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)c4ccc[nH]4)C	1D1	(7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(1h-pyrrol-2-yl)-7,8-dihydropteridin-6(5h)-one
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCC2)O)N(C)C	1D2	cyclododecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCCC2)O)N(C)C	1D4	cyclotridecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+c1cc(ccc1CC(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc(cs4)Br	1D5	(4-{(2r)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}phenyl)acetic acid
+Cc1cccc(c1)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5ccc(cc5)CC(=O)O)O	1D6	{4-[(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-3-(3-methylbenzoyl)-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid
+c1cc(cc(c1)C(F)(F)F)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5cccc(c5)C(=O)O)O	1D8	3-{(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid
+c1cc(cc(c1)C(F)(F)F)[C@H]2C(=C(C(=O)N2c3cccc(c3)C(=O)O)O)C(=O)c4cccc(c4)C(F)(F)F	1D9	3-{(5s)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid
+c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	1DA	1-deaza-adenosine
+CCCCCCCCCCS(=O)(=O)O	1DB	1-decane-sulfonic-acid
+C[C@@H](c1ccncc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1DC	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(pyridin-4-yl)ethyl]propanamide
+Cc1nc2ccccc2n1S(=O)(=O)c3ccc(cc3)F	1DD	1-[(4-fluorophenyl)sulfonyl]-2-methyl-1h-benzimidazole
+c1cc(cc(c1)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc5c(c(c4)Cl)OCO5)C(=O)O	1DE	3-{(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid
+COc1cc(cc(c1O)[N+](=O)[O-])C(=O)O	1DF	4-hydroxy-3-methoxy-5-nitrobenzoic acid
+c1cnccc1C(=O)[C@@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O	1DG	(4r)-isonicotinic-acetyl-nicotinamide-adenine dinucleotide
+c1c(sc(n1)N)Cl	1DH	5-chloro-1,3-thiazol-2-amine
+c1ccc2c(c1)CN(C2)C(=O)[C@@H](Cc3ccc(cc3Cl)Cl)N	1DI	(2r)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2h-isoindol-2-yl)propan-1-one
+C#C[C@H](c1ccccc1)O	1DJ	(1r)-1-phenylprop-2-yn-1-ol
+Cc1cc(c(cc1C)C2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4cccs4)C	1DK	{4-[(5r)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid
+Cc1ccc(cc1C(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccccc3)c4cc(cs4)Br	1DL	5-[(2r)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-methylbenzoic acid
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NC(CN3CCOCC3)CN4CCOCC4	1DM	n-(2-morpholin-4-yl-1-morpholin-4-ylmethyl-ethyl)-3-nitro-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide
+COc1cc2c(cc1OC)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N	1DN	7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
+CCCCCCCCCCCCO	1DO	1-dodecanol
+c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	1DP	n1-deaza-adenosine-5'-monophosphate
+c1c([nH]cn1)C(F)(F)F	1DQ	5-(trifluoromethyl)-1h-imidazole
+c1ccc2c(c1)c3ccc4c(c[nH]c4c3[nH]2)C=O	1DR	1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
+CCCCCCCCCC(=O)OC[C@@]1([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O	1DS	1-o-decanoyl-beta-d-tagatofuranosyl beta-d-allopyranoside
+C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccccc4	1DT	n-[(1s)-1-cyclopropylethyl]-2-phenoxy-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+c1cnn(c1)CCO	1DU	2-(1h-pyrazol-1-yl)ethanol
+Cc1cc(n[nH]1)C(F)(F)F	1DV	5-methyl-3-(trifluoromethyl)-1h-pyrazole
+c1cc(c(cc1O)C=O)Br	1DW	2-bromo-5-hydroxybenzaldehyde
+c1cc(ccc1C[N@@](CCCCC(=O)O)CCc2cc(ccc2OCc3ccc(cc3)c4ccc(cc4)C(F)(F)F)F)C(=O)O	1DX	4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid
+COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3	1DY	n-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide
+Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccccc3	1DZ	1-(3-methylphenyl)-5-phenyl-1h-pyrazole-3-carboxylic acid
+CCCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N	1E0	4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide
+C1CC1C[C@@H]([C@H](C(=O)N)O)N	1E1	(2r,3s)-3-amino-4-cyclopropyl-2-hydroxybutanamide
+CC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)O	1E2	(2s)-3-(acetyloxy)-2-hydroxypropyl 6-deoxy-6-sulfo-beta-d-glucopyranoside
+C(CCC[C@@H](C(=O)O)N)CCCN	1E3	(2s)-2,9-diaminononanoic acid
+COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O	1E4	1-o-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-o-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-d-mannitol
+c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O	1E5	6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid
+COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O	1E6	6-({2-[(5-chloro-4-{[(2s)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
+COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl	1E7	6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
+C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N	1E8	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one
+CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC3=NS(=O)(=O)c4c3ccc(c4)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl	1E9	n-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide
+Cc1cc(c(cc1c2cc(c3cc(ccc3n2)F)C(=O)O)C(C)C)Oc4ccccc4	1EA	6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid
+c1cc(ccc1NC(=O)C2CC2)[N+](=O)[O-]	1EB	n-(4-nitrophenyl)cyclopropanecarboxamide
+[B-](CCCC[C@@](CCCO)(C(=O)O)N)(O)(O)O	1EC	[(5r)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-)
+c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	1ED	(3s,6s)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione
+[B-](CCCC[C@@](CCN1CCC(CC1)O)(C(=O)O)N)(O)(O)O	1EE	[(5r)-5-amino-5-carboxy-7-(4-hydroxypiperidin-1-yl)heptyl](trihydroxy)borate(1-)
+Cc1ccc(cc1)C(=O)NCc2cn(nn2)[C@H](Cc3ccc4ccccc4c3)CC(=O)NO	1EF	n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)NC(=NC2=O)N	1EG	5'-o-(l-alpha-glutamylsulfamoyl)guanosine
+c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCc4ccnc(c4)Cl	1EH	4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N=CNC2=O	1EI	5'-o-(l-alpha-glutamylsulfamoyl)inosine
+c1cc(ccc1c2nnc(n2c3ccc4c(c3)sc(c4Cl)C(=O)O)S)F	1EJ	3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid
+c1ccc(cc1)n2c(nnc2SCC(=O)O)c3c(c4ccccc4s3)Cl	1EK	{[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid
+Cc1c2c(c(c3c1[nH]c4c3cc(cc4)O)C)C(=O)N=CC2	1EL	9-hydroxy-5,11-dimethyl-4,6-dihydro-1h-pyrido[4,3-b]carbazol-1-one
+CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCC	1EM	(1s)-2-hydroxy-1-[(nonanoyloxy)methyl]ethyl myristate
+c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F	1EN	3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine
+c1ccc(c(c1)Oc2cccn3c2nnc3C45CCC(C4)(CC5)O)F	1EO	(1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol
+CC(C)[C@H]1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C	1EP	(5s)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione
+c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5	1EQ	3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine
+CC(C)(C)c1cccc(c1)C2=CC=CNC2=O	1ER	3-(3-tert-butylphenyl)pyridin-2(1h)-one
+Cn1cc(c2c1cccc2)CCN	1ES	2-(1-methyl-1h-indol-3-yl)ethanamine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3cc(cc(n3)N)C	1ET	6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)
+CCNC(=O)Nc1[nH]c2cc(cc(c2n1)C(=O)C)c3cccnc3	1EU	1-(4-acetyl-6-pyridin-3-yl-1h-benzimidazol-2-yl)-3-ethylurea
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)N)C	1EV	3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile
+Cc1cc(nc(c1)N)CCc2ccc(c(c2)CCc3cc(cc(n3)N)C)CCCN	1EW	6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)
+CC/C=C\C=C/CCCCCCCCCCO	1EX	(11z,13z)-hexadeca-11,13-dien-1-ol
+CC/C=C\C=C/CCCCCCCCCC=O	1EY	(11z,13z)-hexadeca-11,13-dienal
+c1cc(ccc1NC(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N	1EZ	n-(4-sulfamoylphenyl)-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
+CCOc1cc(ccc1C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)c4ccc(cc4)Cl)(C)c5ccc(cc5)Cl)C(C)(C)C	1F0	[(4s,5r)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1h-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone
+c1cc(cc2c1cc[nH]2)C(=O)O	1F1	1h-indole-6-carboxylic acid
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CCC[C@@H]3c4cccnc4)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C	1F2	(3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3C=CC[C@@H]3c4ccc(cc4)NC(=O)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C	1F3	(3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-2-[4-(acetylamino)phenyl]-2,3-dihydro-1h-pyrrole-1-carboxylate
+CC[C@@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CC(C[C@@H]3c4cccnc4)(C)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C	1F4	(3as,4r,7r,8s,9s,10r,11r,13r,15s,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-4,4-dimethyl-2-(pyridin-3-yl)pyrrolidine-1-carboxylate
+C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O)C(C)C)C)(COC)O	1F5	(1r,3as,4r,5r,6r,9ar,10e)-6-({(1s,2r,4s,5r,6r,8s,9s)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2s)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol
+CN1c2ccc(cc2N(C(=O)/C(=C\NCCOC)/C1=O)c3ccccc3)C(F)(F)F	1F6	(3z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1h-1,5-benzodiazepine-2,4(3h,5h)-dione
+CCCCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O)O	1F7	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3r)-3-hydroxytetradecanethioate
+Cc1c(c2ccccc2o1)C(=O)NCCS	1F8	2-methyl-n-(2-sulfanylethyl)-1-benzofuran-3-carboxamide
+c1cc(ccc1C#Cc2cc(cc(n2)C#CCN3CCOCC3)Sc4ccc(c5c4CCC5)OCC(=O)O)C(F)(F)F	1FA	[(7-{[2-(3-morpholin-4-ylprop-1-yn-1-yl)-6-{[4-(trifluoromethyl)phenyl]ethynyl}pyridin-4-yl]thio}-2,3-dihydro-1h-inden- 4-yl)oxy]acetic acid
+CC(C)(C)n1c2c(c(ncn2)N)c(n1)Oc3cccc(c3)Cl	1FB	1-tert-butyl-3-(3-chlorophenoxy)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C(=O)O	1FC	4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid
+c1cc(ccc1CN)OC(F)(F)F	1FD	1-[4-(trifluoromethoxy)phenyl]methanamine
+c1cc2c(cc1NC(=O)CN)NC(=O)N2	1FE	n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)glycinamide
+Cn1c(c(cn1)C(=O)O)c2ccccc2	1FF	1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid
+CN(CC1=NC(=O)c2ccccc2N1)CC(=O)N3CCCc4c3cccc4	1FG	2-({[2-(3,4-dihydroquinolin-1(2h)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1h)-one
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe+2]36[N]7=C(C(C(C7=C2)C=C)C)C(=C8N6C(=C5)C(=C8C=C)C)c9ccccc9)C)CCC(=O)O	1FH	12-phenylheme
+c1ccc(c(c1)CNc2c(nccn2)C(=O)N)C(F)(F)F	1FI	3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide
+Cc1cccc(c1C)NC(=O)C2=C3NC(=O)c4c(ccs4)N3C(=S)S2	1FJ	~{n}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide
+CC(=O)c1cc(c2n1ccc(c2)N)c3ncccn3	1FK	1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone
+c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O	1FL	5-(2,4-difluorophenyl)-2-hydroxy-benzoic acid
+C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O1)O)OC)O)O	1FM	(3s,5z,8s,9s,11e)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
+c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)F	1FN	1-(4-fluorophenyl)-n-[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
+c1cc(cc(c1)F)C(=O)c2cc([nH]c2)C=CC(=O)C=C(C(=O)O)O	1FO	6-[4-(3-fluorobenzoyl)-1h-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
+C1CN(CCN1)C=O	1FP	piperazine-1-carbaldehyde
+c1cc(ccc1C(=O)c2cc([nH]c2)/C=C/C(=O)/C=C(/C(=O)O)\O)F	1FQ	(2z,5e)-6-[4-(4-fluorobenzoyl)-1h-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
+C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4cc(cc(c4)Cl)CCCO	1FR	3-[3-chloro-5-(5-{[(1s)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol
+c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])Cl	1FS	2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile)
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O)O)O	1FT	4-s-(6-o-phosphono-alpha-l-idopyranosyl)-4-thio-beta-d-glucopyranose
+c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5	1FV	n-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
+c1cc2c(cc1F)C(=O)N(C=N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4	1FW	(2s)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4h)-yl)-n-(1,3-thiazol-2-yl)propanamide
+c1cc2c(cc1F)C(=O)N(C(=O)N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4	1FX	(2s)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl)-n-(1,3-thiazol-2-yl)propanamide
+CS(=O)(=O)N1CCN(C(=O)C1)[C@@H](CC2CCCCC2)C(=O)Nc3nccs3	1FY	(2s)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-n-(1,3-thiazol-2-yl)propanamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O	1FZ	5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine
+c1ccc(cc1)Oc2ccc(cc2)c3c4c(nccn4c(n3)C5CC(C5)O)N	1G0	cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
+CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N]=N	1G1	n3phe-leu-leu-phe(4-nh2ch2)-methyl vinyl sulfone, bound form
+c1ccc(cc1)C[C@@H](C(=O)O)N=[N+]=[N-]	1G2	(2s)-2-azido-3-phenylpropanoic acid
+CS(=O)(=O)CC[C@H](Cc1ccc(cc1)CN)N	1G3	(2s)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)butan-2-amine
+c1cc(ccc1C[C@H]2CN[C@H](C(=O)N2)Cc3ccc(cc3)O)O	1G4	(3s,6s)-3,6-bis(4-hydroxybenzyl)piperazin-2-one
+Cc1c(cccc1O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](CCS(=O)(=O)C)Cc2ccc(cc2)CN	1G5	hmb-val-ser-phe(4-nh2ch2)-methyl vinyl sulfone, bound form
+CC(C)C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@@H](Cc2ccc(cc2)CN)NC(=O)[C@H](Cc3ccccc3)N=[N]=N	1G6	n3phe-phe(4-nh2ch2)-leu-phe(4-nh2ch2)-methyl vinyl sulfone, bound form
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)O)O)O	1G7	(3s,6s)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione
+c1cc(ccc1C[C@H](C(=O)O)N)CN	1G8	4-(aminomethyl)-d-phenylalanine
+C[C@H]1C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O	1G9	(3s,6s)-3-(4-hydroxybenzyl)-6-methylpiperazine-2,5-dione
+CC1=CCc2ccc(cc2)NC/C(=C/CC1)/C	1GA	geraniline
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4ccc(cc4)O	1GB	(3s,6s)-3-(4-hydroxybenzyl)-6-(1h-indol-3-ylmethyl)piperazine-2,5-dione
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N	1GC	2'-deoxy-5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine
+c1ccc(cc1)CC(=O)NCc2ccc(cc2)S(=O)(=O)N	1GD	2-phenyl-n-(4-sulfamoylbenzyl)acetamide
+[H]/N=C(\c1ccc2c(c1)[C@H]3c4ccccc4C[C@H]3[C@@H](N2)c5cc(c(cc5c6ccc(cc6)C(=O)O)O)OC)/N	1GE	2'-[(6r,6ar,11br)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5h-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid
+CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OC/C=C\C(=O)O)C=CC(O5)(C)C)C	1GF	(~{z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)C2CC(C3=C(N=C(C(=O)N23)NC4CCC4)Cl)(CC)CC)\N	1GG	(6s)-n-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)NC(=O)N4[C@H](C)c5ccccn5	1GH	7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1r)-1-(pyridin-2-yl)ethyl]-1h,2h,3h-imidazo[4,5-c]quinolin-2-one
+C[C@H](C1CC1)Nc2c3c(nc(n3Cc4ccc(cc4)Cl)c5ccc6c(c5)ccs6)nc(n2)C(=O)O	1GI	8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1r)-1-cyclopropylethyl]amino}-7h-purine-2-carboxylic acid
+c1ccc(cc1)Cn2c(c3cccc(c3n2)C(F)(F)F)c4ccc(cc4O)O	1GJ	4-[2-benzyl-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3	1GK	n-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1h-pyrrole-2-carboxamide
+C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC	1GL	2,6-dideoxy-4-o-methyl-alpha-d-galactopyranose
+CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O	1GM	4-[2-ethyl-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O	1GN	2-amino-2-deoxy-beta-d-galactopyranose
+c1cc(sc1)CC(=O)Nc2nnc(s2)S(=O)(=O)N	1GO	n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
+C([C@@H](COP(=O)(O)O)O)O	1GP	sn-glycerol-1-phosphate
+CCCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	1GQ	4-[1-butyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+CC(C)Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	1GR	4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+CC(C)Cn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O	1GS	4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+C=CCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	1GT	4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+C=CCCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O	1GU	4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+Cc1cc(ccc1c2ccc(s2)c3ccc(cc3C)O)O	1GV	4,4'-thiene-2,5-diylbis(3-methylphenol)
+c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O	1GW	5-(2-formylthien-5-yl)-uridine-5'-diphosphate-alpha-d-galactose
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/SC)O	1GZ	methylthioacryloyl-coa
+CCOC(=O)C[C@@H](CC#N)O	1H1	ethyl (3r)-4-cyano-3-hydroxybutanoate
+Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](c3ccccc3)O	1H2	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(r)-hydroxy(phenyl)methyl]phenol
+Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3ccccc3)O	1H3	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(s)-hydroxy(phenyl)methyl]phenol
+c1cc(cc(c1)N2CCCC2=O)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5	1H4	n-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
+c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3([C@H](COC(=N3)N)F)CF)F	1H5	n-{3-[(4s,5r)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1([C@@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1H6	n-{3-[(4r,5s)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1([C@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1H7	n-{3-[(4r,5r)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1H8	n-{3-[(4s)-2-amino-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+c1cc(cc(c1)Br)COc2ccc3c(c2)-c4ccsc4NC3=O	1H9	8-[(3-bromophenyl)methoxy]-4~{h}-thieno[2,3-c]isoquinolin-5-one
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O	1HA	1-hydroxy-2-naphthoyl-coa
+CN(C)C(=O)CC[C@@H](CO)N	1HB	(4s)-4-amino-5-hydroxy-n,n-dimethylpentanamide
+C=CC(=O)N	1HC	prop-2-enamide
+CC(=O)NC[C@@H](CO)N	1HD	n-[(2s)-2-amino-3-hydroxypropyl]acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCSC)O	1HE	3-methylmercaptopropionate-coa (mmpa-coa)
+c1cc(oc1)/C=C\2/C(=O)N/C(=N/N=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/S2	1HF	(3e)-3-{(2z)-[(5z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene}-2-oxo-2,3-dihydro-1h-indole-5-sulfonic acid
+C[C@]1([C@H]([C@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HG	n-{3-[(4r,5r,6s)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1([C@H]([C@@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HH	n-{3-[(4r,5r,6r)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1(C[C@@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HJ	n-{3-[(4s,6r)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+COc1cc(ccc1O)CCc2c3c(n[nH]2)-c4ccccc4C3	1HK	4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol
+C[C@]1(C[C@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HL	n-{3-[(4s,6s)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C[C@H](OC(=N3)N)C(F)(F)F)CF)F	1HM	n-{3-[(4s,6s)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+c1ccc2c(c1)ccc(c2O)C(=O)O	1HN	1-hydroxynaphthalene-2-carboxylic acid
+c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C(COC(=N3)N)(F)F)CF)F	1HO	n-{3-[(4s)-2-amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+Cn1c2cc(cnc2nc1N)c3ccc(cc3)O	1HP	4-(2-amino-1-methyl-1h-imidazo[4,5-b]pyridin-6-yl)phenol
+c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(CCOC(=N3)N)C(F)F)F	1HQ	n-{3-[(4s)-2-amino-4-(difluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+c1cc(c(cc1C(=O)[C@H]2C[C@@H]2C(=O)O)Cl)Cl	1HR	(1s,2s)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid
+C[C@@H](CSCCS(=O)(=O)O)O	1HS	2-{[(2s)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid
+CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)C(=CC)C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)OC(=O)CCC	1HT	(3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate
+CNCCc1c[nH]c2c1cccc2	1HU	2-(1h-indol-3-yl)-n-methylethanamine
+CNC(=O)c1ccc(cc1)n2c3ccccc3c(n2)c4ccc(cc4)C(=O)NCCCN	1HV	4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1h-indazol-1-yl)-n-methylbenzamide
+COc1ccc2c(c1)C3=NN([C@@H]([C@@H]3CC2)c4ccc(c(c4)F)OC(F)(F)F)C(=O)CO	1HW	1-{(3s,3as)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2h-benzo[g]indazol-2-yl}-2-hydroxyethanone
+C[C@@H](c1c(cccc1Cl)F)NC(=O)c2ccc(n2C)C#N	1HX	n-[(1s)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1h-pyrrole-2-carboxamide
+c1cc(c(c(c1)O)O)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	1HZ	5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine
+CC1CCC(CC1)Cn2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2N6CCO[C@H]7[C@H]6CCC7	1I0	3-[4-(5-chloropyridin-3-yl)-2-[(4ar,7ar)-hexahydrocyclopenta[b][1,4]oxazin-4(4ah)-yl]-3-{[(1r,4r)-4-methylcyclohexyl]methyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one
+c1nc(c2c(n1)n(cn2)CCN[C@@H](CO)C(=O)NP(=O)(O)O)N	1I1	((2-(6-amino-9h-purin-9-yl)ethyl)-l-seryl)phosphoramidic acid
+CC1CCC(CC1)[C@@H](C)n2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2[C@H](C)COC	1I3	3-[4-(5-chloropyridin-3-yl)-2-[(2s)-1-methoxypropan-2-yl]-3-{(1r)-1-[(1r,4r)-4-methylcyclohexyl]ethyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one
+C[C@H](Cn1cnc2c1ncnc2N)N(CCP(=O)(O)O)CC(=O)O	1I4	(r)-n-(1-(6-amino-9h-purin-9-yl)propan-2-yl)-n-(2-phosphonoethyl)glycine
+COc1cccc(c1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O	1I6	methyl (z)-4-(4-(4-chlorobenzyl)-1-(3-methoxybenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+c1ccc2c(c1)C[C@@H](NC2)C(=O)N[C@H](Cc3ccc(cc3)Cl)C(=O)N4CCC(CC4)(Cn5cncn5)C6CCCCC6	1I8	(3r)-n-[(2r)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
+CCO[C@@H](c1nc2cc(nc(c2n1[C@H](C)C3CCC(CC3)C)c4cc(cnc4)Cl)C5=NOC(=O)N5)C6CC6	1I9	3-[4-(5-chloropyridin-3-yl)-2-[(r)-cyclopropyl(ethoxy)methyl]-3-{(1r)-1-[(1r,4r)-4-methylcyclohexyl]ethyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one
+c1nc(c2c(n1)n(cn2)CCN[C@@H](CP(=O)(O)O)C(=O)O)N	1IA	(2~{r})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid
+CCCCCCCC(=O)OC[C@H](C(=O)O)N	1IC	o-octanoyl-d-serine
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(S3)(C)C)CCNC(=O)C	1IG	n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzothiazin-4-yl]ethyl}acetamide
+c1nc(c2c(n1)n(cn2)CCN[C@H](CP(=O)(O)O)C(=O)O)N	1IH	(s)-2-((2-(6-amino-9h-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid
+c1nc(c2c(n1)n(cn2)CCCN[C@H](CP(=O)(O)O)C(=O)O)N	1IK	(s)-2-((3-(6-amino-9h-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid
+C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)CCc4cccnc4)O)O	1IN	1-[2-hydroxy-4-(2-hydroxy-5-methyl-cyclopentylcarbamoyl)5-phenyl-pentyl]-4-(3-pyridin-3-yl-propionyl)-piperazine-2-carb oxylic acid tert-butylamide
+c1nc(c2c(n1)n(cn2)CCO[C@H](CP(=O)(O)O)C(=O)O)N	1IO	(s)-2-(2-(6-amino-9h-purin-9-yl)ethoxy)-3-phosphonopropanoic acid
+C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)N	1IP	n~2~-(phosphonoacetyl)-l-asparagine
+CC(C)[C@@]1(C(=O)NC(=N1)c2c(cc3ccccc3n2)C(=O)O)C	1IQ	2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)quinoline-3-carboxylic acid
+COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4	1IR	n-[cis-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
+COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4	1IS	n-[trans-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
+c1ccc2c(c1)c3ccccc3o2	1IT	dibenzofuran
+C[C@H](CP(=O)([C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2[nH]nnn2)N)O)C(=O)N[C@@H](C)C(=O)N	1IU	[3-[[(2s)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]-[(1r)-1-[[(2r)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid
+COc1ccc(nn1)[C@H](c2cc(c(cc2Cl)F)c3c4ccc(cc4ncn3)N5CCOCC5)O	1IX	(~{s})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
+CC1=Cc2cc3c(c(c2C(=O)O1)O)[C@]4(C(=C5C(=C([C@]4(CC3)O)O)C(=O)C6=C(C5=O)C(=O)C(=CC6=O)OC)O)O	1J0	collinone
+C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N	1J1	n~6~-[(2r)-3,4-dihydro-2h-pyrrol-2-ylcarbonyl]-l-lysine
+CS(=O)(=O)C1CCN(CC1)c2cccc3c2ccn3c4ccnc(n4)NC5CCC(CC5)O	1J2	trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1h-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
+CN1CCN(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(C[C@@](C(=O)N4C)(C=C)F)C5CCCC5	1J3	4-{[(7r)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-n-(4-methylpiperazin-1-yl)benzamide
+CN1CCC(CC1)NC(=O)c2cc(c(cc2F)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC	1J4	4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O	1J5	trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexanecarbonitrile
+C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CC#N)cc[nH]3)O	1J6	(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)acetonitrile
+c1ccc(c(c1)n2c3c(cn2)c(ncn3)O[C@@H](COCCO)C(=O)Nc4ccc(cn4)Cl)Cl	1J9	(2s)-2-{[1-(2-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-n-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O	1JB	[[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4s,5r,6r)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+c1ccnc(c1)CNS(=O)(=O)Cc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6	1JC	1-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-n-(pyridin-2-ylmethyl)methanesulfonamide
+Cc1ccc(nc1)NC(=O)[C@H](COC(C)C)Oc2c3cnn(c3ncn2)c4c(cccn4)Cl	1JD	(2s)-2-{[1-(3-chloropyridin-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-n-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide
+CCC[C@]1(c2c(c3c(ccc(c3[nH]2)Cl)Cl)CCO1)CC(=O)O	1JE	[(1r)-5,8-dichloro-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
+c1cc(c(cc1Cl)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl)C(=O)O	1JF	4-chloro-2-{[(2,4,5-trichlorophenyl)sulfonyl]amino}benzoic acid
+c1cc(c(cc1Cl)NS(=O)(=O)c2ccc(s2)Br)C(=O)O	1JG	2-{[(5-bromothiophen-2-yl)sulfonyl]amino}-4-chlorobenzoic acid
+Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccccc3	1JH	2-{[(4-methylphenyl)sulfonyl]amino}-5-phenoxybenzoic acid
+CC[C@@H](O)P(=O)(O)O	1JJ	[(1s)-1-hydroxypropyl]phosphonic acid
+C[C@@H](Cc1cc(no1)c2ccccc2)C(=O)O	1JK	(2s)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
+Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C(=O)O)Oc3ccccc3	1JL	2-{[(4-methylphenyl)sulfonyl]amino}-4-phenoxybenzoic acid
+CN[C@H](Cc1ccc(cc1)C(=O)O)C(=O)O	1JM	4-carboxy-n-methyl-d-phenylalanine
+Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCC4	1JN	1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
+c1ccc(cc1)CCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N	1JO	d-gamma-glutamyl-s-(4-phenylbutyl)-l-cysteinylglycine
+c1ccc(cc1)CC[C@H](CSC[C@@H](C(=O)/N=C\C(=O)O)NC(=O)CC[C@H](C(=O)O)N)O	1JP	d-gamma-glutamyl-(z)-n-(carboxymethylidene)-s-[(2r)-2-hydroxy-4-phenylbutyl]-l-cysteinamide
+C[C@H](Cc1cc(no1)c2ccccc2)C(=O)O	1JQ	(2r)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
+c1ccc(cc1)c2c3c(n[nH]2)C(=O)N[C@H]3c4cccnc4	1JR	(4s)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2h)-one
+c1ccc(cc1)C#Cc2ccc(cc2)C(=O)N[C@@H](CCC(=O)NCCCO)C(=O)NO	1JS	n~1~-hydroxy-n~5~-(3-hydroxypropyl)-n~2~-[4-(phenylethynyl)benzoyl]-l-glutamamide
+Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCCC4	1JT	1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1h-naphtho[2,3-d]imidazole
+c1cc2c(cc1Cn3cnc4c3cc5c(c4)CCCC5)OCO2	1JU	1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1h-naphtho[2,3-d]imidazole
+CC(C)(Cn1cc(cn1)c2ccc-3c(c2)OCCc4c3nc(s4)c5ncnn5CC(F)(F)F)O	1JV	2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1h-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1h-pyrazol-1-yl)propan-2-ol
+C(CCO)C[C@@H](CO)O	1JW	(2s)-hexane-1,2,6-triol
+C[C@@H]1C(=O)Nc2c(cccn2)N1	1JX	(2r)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2h)-one
+C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO	1JY	n-(4-{[(6s)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1h-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-l-gamma-glutamyl-d-glutamic acid
+[H]/N=C(\N)/Nc1ccc(cc1)CO	1JZ	1-[4-(hydroxymethyl)phenyl]guanidine
+Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC	1K0	2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3h)-one
+CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)OC	1K3	5-(4-methoxyphenyl)-n-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine
+CCCCCCCCCC(=O)N[C@@H](CCO)C(=O)O	1K4	n-decanoyl-l-homoserine
+c1ccc2c(c1)C(=O)c3ccccc3N2CC(=O)O	1K5	(9-oxoacridin-10(9h)-yl)acetic acid
+CC[C@H](C)[C@H](C=O)[C@H](C(=O)O)O	1K6	(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoic acid
+c1ccc(cc1)CC[C@H](C[C@@H]2C[C@@H]2N)N	1K7	(1s,2s)-2-[(2r)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine
+c1ccc2c(c1)cc(c(n2)N3CCNCC3)Cl	1K8	3-chloranyl-2-piperazin-1-yl-quinoline
+c1cc(cc(c1)NC(=O)Nc2cc(ccc2c3ccsc3)S(=O)(=O)NC4CC4)C(F)(F)F	1K9	1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea
+C(COCC=O)O	1KA	(2-hydroxyethoxy)acetaldehyde
+CSCCC=C[C@H](CC(=O)O)O	1KC	(3s)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid
+CC(C)(C(=O)N[C@H](COCc1ccccc1)C(=O)N2CCC3(CC2)CN(c4c3cccc4)S(=O)(=O)C)N	1KD	1-(methanesulfonyl)-1'-(2-methyl-l-alanyl-o-benzyl-d-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine]
+c1c(cnc(c1Cl)N2CCNCC2)I	1KE	1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine
+CCC(=O)OC[C@H](C)CC[C@@H]1[C@H]([C@H]2[C@@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)C	1KG	(3beta,9beta,22r,25r)-3-hydroxyfurost-5-en-27-yl propanoate
+C([C@H]([C@@H]([C@H](C(O)O)O)O)O)[As](=O)(O)O	1KH	arsenoribose
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOC	1KJ	n~5~-(n-methoxycarbamimidoyl)-l-ornithine
+c1nc(c2c(n1)n(cn2)CCCO[C@H](CP(=O)(O)O)C(=O)O)N	1KK	(s)-2-(3-(6-amino-9h-purin-9-yl)propoxy)-3-phosphonopropanoic acid
+CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(cc2)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC	1KL	methyl (2z)-(3-{4-[(4-tert-butylphenyl)carbamoyl]phenyl}-4-oxo-1,3-thiazolidin-2-ylidene)(cyano)acetate
+C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O	1KM	(2r)-2-azanyl-3-[(1r,2s)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid
+C[C@H]1[C@H]([C@H]([C@@H](N1)c2ccc(cc2)OC)O)O	1KN	(2s,3s,4r,5s)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
+c1cc(ccc1c2cn3c(n2)c(cnc3C(=O)N)N[C@H]4CCCNC4)Cl	1KO	2-(4-chlorophenyl)-8-[(3s)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide
+c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl	1KP	(3e)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2h-indol-2-one
+Cc1cc(ncn1)c2ccc3c(c2)CC[C@H]3N4CC5(C4)CCN(CC5)C(=O)Cc6cn7cc(sc7n6)C	1KQ	 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1r)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
+CC[C@H](C)[C@H](C=O)[C@H](C(=O)N[C@H]1C[C@H]1C[C@@H](CCc2ccccc2)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O	1KR	benzyl [(2s)-1-({(2r)-1-[(1s,2s)-2-{[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)F	1KS	4-fluoro-n-methyl-n-{1-[4-(1-methyl-1h-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide
+COc1cc2c(c(c1)OC)[C@@H]3[C@H]4CCC[C@H](N4C(=O)C(=O)c5cc(c(c(c5)OC)OC)OC)C(=O)N3CC2	1KT	1-[(9s,13r,13ar)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6h-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
+COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)scn5	1KU	(1s,6r)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
+CO[C@@H]1CC[C@@H]([C@H](C1)NC(=O)CN2CCN(CC2)Cc3ccc4c(c3)OCO4)OC	1KV	2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-n-[(1s,2s,5s)-2,5-dimethoxycyclohexyl]acetamide
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612	1KW	ortho-carborane
+c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4	1KX	{(1s,4r)-4-[2-amino-6-(cyclopropylamino)-9h-purin-9-yl]cyclopent-2-en-1-yl}methanol
+COc1ccc(cc1OC)OCCN2C[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5	1KY	6-({(1s,5r)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3h)-one
+COc1ccc(cc1OC)OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c3ccc4c(c3)SC(=O)N4	1KZ	2-(3,4-dimethoxyphenoxy)ethyl (2s)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate
+CN(C)C(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O	1L0	4-azanyl-~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
+C1CCC(CC1)C[C@H](C(=O)O)NS(=O)(=O)N	1L1	3-cyclohexyl-n-sulfamoyl-d-alanine
+CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC	1L2	(2s)-3-(alpha-d-galactopyranosyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl (9z,12z)-octadeca-9,12-dienoate
+CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	1L3	menaquinone-4
+c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4	1L4	n-[(2r)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
+C/C(=C\N(=O)=O)/c1ccccc1	1L5	[(1e)-1-nitroprop-1-en-2-yl]benzene
+CCC(C)(C)c1c2c(n(n1)CCO)C(=O)NCC(=N2)c3ccc(cc3)n4ccnc4C	1L6	1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1h-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1h)-one
+c1ccc(cc1)CNC(=O)/C(=C/c2ccncc2)/C#N	1L7	(2e)-n-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide
+c1cc(cc(c1)C(F)(F)F)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4	1L8	8-fluoro-n-{(2r)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2ccc(cc2)Cl)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	1L9	n-[(2s,3s,4r)-1-({6-o-[(4-chlorophenyl)carbamoyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2ccncc2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	1LA	n-[(2s,3s,4r)-3,4-dihydroxy-1-{[6-o-(pyridin-4-ylcarbamoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
+c1cc2c(cc1C[C@@H](C#N)C(=O)N)cn[nH]2	1LB	(2s)-2-cyano-3-(1h-indazol-5-yl)propanamide
+c1cc(cc(c1)C(=O)c2c[nH]c3c2cccn3)C[C@H](C#N)C(=O)N	1LC	(2r)-2-cyano-3-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide
+C1=C(C(=NC(=O)N1)N)F	1LD	5-fluorocytosine
+CC(C)(CO)NC(=O)[C@@H](Cc1ccc2c(c1)c(n[nH]2)c3cc(c(c(c3)OC)OC)OC)C#N	1LE	(2s)-2-cyano-n-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]propanamide
+Cc1nc(nc(n1)N2CCC(CC2)C(=O)NCc3ccccc3C(F)(F)F)NC	1LF	1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-n-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide
+c1c(c(cc(c1S(=O)(=O)N2CCOCC2)Cl)Cl)C(=O)Nc3c(c4c(s3)CCCC4)C#N	1LG	2,4-dichloro-n-(3-cyano-4,5,6,7-tetrahydro-benzothiophen-2yl)-5-(morpholine-4-sulfonyl)-benzamide
+CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)NCC[NH3+]	1LH	(2s)-4-[(2-ammonioethyl)amino]-n-[(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CCCCC2)c3cccc(c3)C(C)(C)C)O	1LI	n-[(1s,2r)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(nc3)N	1LJ	1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea
+C1[C@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)F	1LK	1,4-anhydro-2-deoxy-2-fluoro-5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-d-arabinitol
+C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S[C@H]2[C@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O	1LL	thioditaloside
+c1ccc2c(c1)c(ccn2)N	1LM	quinolin-4-amine
+C1=CC=[N](C(=C1)N)CCO	1LN	2-(2-aminopyridin-1-ium-1-yl)ethanol
+C[C@H](C=O)c1ccccc1	1LP	tranylcypromine
+c1ccc2c(c1)c(ncn2)N	1LQ	quinazolin-4-amine
+c1ccc(cc1)C(=O)Nc2cccc(c2O)C(=O)O	1LR	3-(benzoylamino)-2-hydroxybenzoic acid
+c1cc(cnc1)CNC(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3	1LS	1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea
+Cc1c(sc(n1)NC(=O)N2CCC[C@H]2C(=O)N)c3ccnc(c3)C(C)(C)C(F)(F)F	1LT	(2s)-n~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide
+CC(C)C[C@@H](C(=O)O)O	1LU	(2s)-2-hydroxy-4-methyl-pentanoic acid
+c1csc2c1c(c3c(n2)CCCC3)N	1LW	5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine
+c1cc(n2ccnc2c1)N	1LX	imidazo[1,2-a]pyridin-5-amine
+c1cc2nccn2cc1N	1LY	imidazo[1,2-a]pyridin-6-amine
+c1c[nH]c2c1ncc(c2)CO	1LZ	1h-pyrrolo[3,2-b]pyridin-6-ylmethanol
+C=CC[C@H](COc1ccc(cc1)c2nc3ccccc3n2Cc4ccccc4)n5c6ccccc6nc5c7ccccc7	1M0	1-benzyl-2-(4-{[(2r)-2-(2-phenyl-1h-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1h-benzimidazole
+c1ccc2c(c1)-c3nc4ccccc4n3[C@@H](N2)c5ccccn5	1M1	(6r)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
+CNc1[nH]c2ccccc2n1	1M2	n-methyl-1h-benzimidazol-2-amine
+Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C	1M3	n-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide
+CC1(C[C@@]2(c3cc(ccc3O1)Br)C(=O)N(C(=N2)N)C)C	1M4	(4r)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'h)-one
+CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)Cl)C(=O)N(C(=N2)N)C)C	1M5	(4r)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'h)-one
+CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)C#N)C(=O)N(C(=N2)N)C)C	1M6	3-[(4r)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile
+CC1(Cc2ccc(cc2[C@]3(C1)C(=O)N(C(=N3)N)C)c4cncnc4)C	1M7	(4r)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'h-spiro[imidazole-4,1'-naphthalen]-5(1h)-one
+Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4	1M8	5-(2-chlorophenyl)-n-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
+CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3C(F)(F)F)C(C)C	1M9	2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid
+[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C	1MA	6-hydro-1-methyladenosine-5'-monophosphate
+c1cc(c(nc1)Oc2ccc3c(c2)C(=O)N=CN3Cc4ccc(cc4F)F)C(F)(F)F	1MB	1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1h)-one
+CN1C=CC(=NC1=O)N	1MC	1-methylcytosine
+Cc1c(c(c2c(n1)CN(C2=O)CC(=O)N(C)C)c3ccc(cc3Cl)Cl)CN	1MD	2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-n,n-dimethylacetamide
+CC([C@H](C(=O)O)N)SC	1ME	(2s)-2-amino-3-methylsulfanyl-butanoic acid
+c1ccc(cc1)Oc2ccc(cc2)c3ccc(cc3)COc4ccccc4CCN(CCCCC(=O)O)Cc5ccc(cc5)C(=O)O	1MF	4-{[(4-carboxybutyl)(2-{2-[(4'-phenoxybiphenyl-4-yl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid
+CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C1N	1MG	1n-methylguanosine-5'-monophosphate
+c1cc(cnc1)C[C@@H](C(=O)O)N	1MH	3-pyridin-3-yl-l-alanine
+C(CO)C(CO)CO	1MI	2-(hydroxymethyl)butane-1,4-diol
+c1c[nH]c2c1ncc(c2)C=O	1MJ	1h-pyrrolo[3,2-b]pyridine-6-carbaldehyde
+CC(C)C12=CC=C([Os]1([N]3=C(C=CC=C3)C(=S)Nc4ccc(cc4)F)Cl)(C=C2)C	1MK	chlorido(eta-6-p-cymene)(n-fluorophenyl-2-pyridinecarbothioamide)osmium(ii)
+CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC)C(C)C	1ML	5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid
+Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC	1MM	methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate
+CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Br)c4ccc(cc4)Br	1MN	(2s,5r,6s)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
+CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Cl)c4ccc(cc4)Cl	1MO	(2s,5r,6s)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one
+C/C=C/[C@H](C(=O)O)N1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccc(cc2)F)c3ccc(cc3)Cl)c4ccc(cc4)Cl	1MQ	(2r,3e)-2-[(2s,3r,6s)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid
+CNc1ccccc1	1MR	n-methylaniline
+Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-]	1MS	n-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide
+CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NCCN)c4cccc(c4F)Cl	1MT	(2's,3r,4's,5'r)-n-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
+c1cc(ccc1CCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O	1MU	3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid
+Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O	1MV	({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)
+c1cc(ccc1CCCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O	1MW	3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid
+c1ccc(cc1)NC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N	1MX	2-amino-4-oxo-n-{2-[(phenylcarbamoyl)amino]ethyl}-3,4-dihydropteridine-7-carboxamide
+CC[C@@H](CO)N1[C@@H]([C@@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	1MY	{(2s,5r,6s)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2s)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
+Cn1cc[nH+]c1	1MZ	1-methylimidazole
+[H]/N=C(/N)\Nc1ccc(cc1)N[C@H]2C[C@H]([C@@H](C[C@@H]2Oc3ccc(cc3)N/C(=N\[H])/N)Oc4ccc(cc4)N/C(=N/[H])/N)N/C(=N/[H])/N	1N	1-[(1~{r},2~{r},4~{s},5~{s})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
+C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O	1N0	1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	1N1	n-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide
+C1CC(=O)N(C1=O)CCN2C(=O)CCC2=O	1N2	1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione
+COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4(CC4)CN	1N3	1-(aminomethyl)-n-(3-{[6-bromo-2-(4-methoxyphenyl)-3h-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide
+CCCc1cnn(c1[C@H](C(=O)O)N)O	1N4	(2r)-amino(1-hydroxy-4-propyl-1h-pyrazol-5-yl)ethanoic acid
+C(C[C@@H](C[C@H](C(=O)O)O)O)CO	1N5	(2r,4s)-2,4,7-trihydroxyheptanoic acid
+c1cc(cc(c1)Nc2c3c(nc(n2)NC4CCC(CC4)N)C=CNC3=O)C(F)(F)F	1N6	2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6h)-one
+C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	1N7	chapso
+CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c2ccc(c(c2)c3ccc4c(c3)cnc(n4)NC)C)C(F)(F)F	1N8	n-{2-[(n,n-diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
+Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	1N9	2,6-dimethylphenyl 2-(3,5-dimethoxy-4-(3-(4-methylpiperazin-1-yl)propoxy)phenylamino)pyrimidin- 4-yl(2,4-dimethoxyphenyl)carbamate
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O	1NA	n-acetyl-o-methyl-d-glucosamine
+C=CC[C@@H](C=O)[C@H]1CCC[C@@H]1O	1NB	2-(2-hydroxy-cyclopentyl)-pent-4-enal
+c1cc(ccc1C(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4	1ND	1-[4-(1-pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole
+CN(C)C(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3	1NE	n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide
+c1cc(c(cc1n2c3c(c(n2)C(F)(F)F)CCCC3)F)CN4CCCC4=O	1NF	n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide
+c1cc(ccc1CC(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4	1NG	1-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-( trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole
+C/C(=C\CO[P@](=O)(O)OP(=O)(O)O)/CC\C=C(/C)\COCc1cccc(c1)C(=O)c2ccccc2	1NH	(2e,6e)-8-[(3-benzoylbenzyl)oxy]-3,7-dimethylocta-2,6-dienyl trihydrogen diphosphate
+CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O	1NI	4-[2-(2-acetylamino-3-naphthalen-1-yl-propionylamino)-3-methyl-butyrylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide
+[H]/N=C(\c1ccc(cc1)NC(=O)c2c(ccc(n2)OC)c3ccc(cc3C(=O)O)C(=O)N[C@H](CO)C(C)(C)C)/N	1NJ	2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
+CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc4c(c3)ccnc4N)OC	1NK	2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
+CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3cccc(c3)C(=O)N)OC	1NL	2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
+COc1ccc(cc1OCCF)c2nc(cs2)CSc3nc(cc(n3)N)N	1NM	2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
+CCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N	1NN	2-[({5-ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
+Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N	1NO	2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
+c1ccc2c(c1)cccc2O	1NP	1-naphthol
+CCNC(=O)c1ccc(s1)C(=O)NCCC2CCN(CC2)c3c4c(cc(s4)C(=O)N)ncn3	1NQ	n-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-n'-ethylthiophene-2,5-dicarboxamide
+CC(C)(C)C(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2	1NR	4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
+CS(=O)(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2	1NS	4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[C@@](C(=O)O)(O)OP(=O)(O)O	1NT	(2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-bis(phosphonooxy)octanoic acid
+c1ccc(c(c1)C(F)(F)F)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F	1NU	1-(2,4,6-trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]quinazolin-4(1h)-one
+c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)N	1NV	3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-2-(trifluoromethyl)benzamide
+c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)Nc5cccnc5	1NW	3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-n-(pyridin-3-yl)-2-(trifluoromethyl)benzamide
+C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)[C@@H](CC5)NC(=O)C	1NX	2-[[(3r)-3-acetamido-2,3-dihydro-1h-inden-5-yl]oxy]-n-[(1s)-1-cyclopropylethyl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CC1(CC=C(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4ccccc4)C	1NY	4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid
+c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)c5nc6c(o5)cccn6	1NZ	6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1h)-one
+c1ccnc(c1)c2cccc(c2C(F)(F)F)Oc3ccc4c(c3)C(=O)N=CN4Cc5c(cc(cc5F)F)F	1O0	6-[3-(pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1h)-one
+Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccc(cc3)C(=O)O	1O1	5-(4-carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid
+CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\CCCCCCCC	1O2	(2s)-3-(alpha-d-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9z)-octadec-9-enoate
+c1ccc(cc1)Oc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc(cc3F)Br	1O3	2-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid
+c1cc2cc[n+](cc2c(c1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1O4	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CCOc1cc2c(cc1c3cnn(c3)C)[nH]nc2c4ccc(c(c4)S(=O)(=O)N)C	1O5	5-[5-ethoxy-6-(1-methyl-1h-pyrazol-4-yl)-1h-indazol-3-yl]-2-methylbenzenesulfonamide
+CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3)C(C)C	1O6	2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid
+CCOc1ccc2c(c1)-c3ccsc3NC2=O	1O7	8-ethoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
+C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCc2c1cccc2	1O8	(2e,4e,6z,8e)-8-(3,4-dihydronaphthalen-1(2h)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid
+CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)c4cnccn4)C(=O)O	1O9	(4s,5r)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-l-proline
+c1cc(ccc1NC(=O)c2cnn3c2nc(cc3O)C4CCNCC4)F	1OA	n-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1cc(ccc1Cc2cc(n3c(n2)c(cn3)C(=O)Nc4ccc(cc4)F)O)C#N	1OB	5-(4-cyanobenzyl)-n-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(c(c1)c2cc3c(c[nH]c3nc2)NC(=O)c4cnn5c4nc(cc5)NC[C@H]6CCNC[C@@H]6F)F	1OC	n-[5-(2-fluorophenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3r,4r)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCCNC(=O)c3cccc(c3O)O)CCCNC(=O)c4cccc(c4O)O	1OD	(4s,5r)-n,n-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
+c1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl	1OE	2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid
+c1c[n+](cc2c1C=CNC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1OF	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{h}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate
+CC(=O)OC/C/1=C(/N=C\[C@H]([C@@H](S(=O)(=O)C1)C(=O)OC(C)(C)C)C=O)\C(=O)O	1OG	 7-alkylidenecephalosporin dcm-1-10, bound form 
+CC(C)(c1ccccc1)c2ccc(cc2)O	1OH	4-(1-methyl-1-phenylethyl)phenol
+COc1ccc2c(c1)-c3ccsc3NC2=O	1OI	8-methoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2cccc(c2)S(=O)(=O)N)Nc3ccc4cnccc4c3	1OJ	(2r)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-n-[(3-sulfamoylphenyl)sulfonyl]ethanamide
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2ccccc2)Nc3ccc4c(c3)ccnc4N	1OK	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(phenylsulfonyl)ethanamide
+C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O	1OL	(2r,4s,5s)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
+CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)O	1OM	4-{bis[4-(dimethylamino)phenyl]methyl}phenol
+c1ccc2c(c1)CCC2=O	1ON	2,3-dihydro-1h-inden-1-one
+c1cc(ccc1C(F)(F)F)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)Cl)F	1OO	n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide
+c1cc(ccc1C[C@@H](C(=O)O)N)OCCCCCO	1OP	o-(5-hydroxypentyl)-l-tyrosine
+c1cc(nc(c1)C(F)(F)F)[C@@H](C#N)c2ccc(cc2)F	1OQ	(2s)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile
+CCCN(CCC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O	1OR	(2r,4ar,6r,7r,7as)-6-[6-(dipropylamino)-9h-purin-9-yl]tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
+[H]/N=C(\c1ccc(cc1)[C@H](N)P(=O)(O)O)/N	1OS	[(r)-amino(4-carbamimidoylphenyl)methyl]phosphonic acid
+c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O	1OT	{(r)-amino[4-(1h-pyrazol-1-yl)phenyl]methyl}phosphonic acid
+[H]/N=C(/N)\Nc1ccc(cc1)[C@H](N)P(=O)(O)O	1OU	[(r)-amino(4-carbamimidamidophenyl)methyl]phosphonic acid
+[H]/N=C(/N)\NCCC[C@H](N)P(=O)(O)O	1OV	[(1r)-1-amino-4-carbamimidamidobutyl]phosphonic acid
+c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3	1OX	2-(1h-benzimidazol-1-ylmethyl)-4h-pyrido[1,2-a]pyrimidin-4-one
+CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2F)Cl)(C#N)c3ccc(cc3F)Cl	1OY	(3s,4r,5s)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-n-[(3s)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-d-prolinamide
+CN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5	1OZ	n-[(3s)-1-methyl-2-oxidanylidene-5-phenyl-3h-1,4-benzodiazepin-3-yl]-1h-indole-2-carboxamide
+c1c(nnn1CCO)CN(Cc2cn(nn2)CCO)Cc3cn(nn3)CCO	1P0	2,2',2''-[nitrilotris(methanediyl-1h-1,2,3-triazole-4,1-diyl)]triethanol
+Cn1cc2cc1C(=O)NCC[C@H](C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NCC[C@H](C(=O)Nc7cn(c(n7)C(=O)Nc8cn(c(n8)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)C)N)C)C)N	1P1	(22r,51r)-22,51-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,6 5-docosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10( 65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone
+Cn1cc2cc1C(=O)NC[C@@H](CC(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NC[C@@H](CC(=O)Nc7cn(c(n7)C(=O)Nc8cc(n(c8)C)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)N)C)N	1P2	(23r,52r)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone
+C[C@@H]1CCCN(C1)C(=O)C	1P3	(3r)-1-acetyl-3-methylpiperidine
+c1c(nnn1CCCO)CN(Cc2cn(nn2)CCCO)Cc3cn(nn3)CCCO	1P4	3,3',3''-[nitrilotris(methanediyl-1h-1,2,3-triazole-4,1-diyl)]tripropan-1-ol
+CCN(CC)C(=O)[C@H]1CCC[N@@](C1)c2cc(ncn2)c3c(nn4c3nccc4)N	1P5	(3s)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-n,n-diethylpiperidine-3-carboxamide
+C[C@@H](c1ccc(cc1)F)Nc2cc(ncn2)c3c(nn4c3nccc4)N	1P6	3-(6-{[(1s)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
+c1cc2c(cc1Cl)C(=O)NC2	1P7	6-chloro-2,3-dihydro-1h-isoindol-1-one
+c1cc2c(cc1Br)NC(=O)C2	1P8	6-bromo-1,3-dihydro-2h-indol-2-one
+CCC[C@@H](CC(=O)O)N1c2ccccc2N(C1=O)Cc3cc(cc4c3CC(=O)N4)Br	1P9	(3s)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1h-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}hexanoic acid
+c1cc(ccc1C[C@@H](C(=O)O)N)CC(=O)O	1PA	4-(carboxymethyl)-l-phenylalanine
+c1ccc(cc1)CC\C=C\c2ccccc2	1PB	1,4-diphenyl-2-butene
+c1ccc(cc1)C2(CCCCC2)N3CCCCC3	1PC	1-(phenyl-1-cyclohexyl)piperidine
+CC(C)CCN1C(=O)C(=C(C(=N1)c2cncs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N	1PD	2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothia diazin-7-yl}oxy)acetamide
+C(COCCOCCOCCOCCO)O	1PE	pentaethylene glycol
+CN1CCC(CC1)Oc2ccc(cc2)c3c4c(cccc4OCC5CCCCC5)n[nH]3	1PF	4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2h-indazole
+COCCOCCOCCOCCOCCO	1PG	2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol
+c1ccc(cc1)CC(=O)Nc2ccc3c(c2)c([nH]n3)c4cccc(c4)S(=O)(=O)N	1PH	2-phenyl-n-[3-(3-sulfamoylphenyl)-2h-indazol-5-yl]acetamide
+[H]/N=C(/N)\N1CCC[C@@H](C1)C[C@@H](C=O)N	1PI	(3r)-3-[(2s)-2-amino-3-oxopropyl]piperidine-1-carboximidamide
+COc1ccc(cc1)C2(CC2)C(=O)O	1PJ	1-(4-methoxyphenyl)cyclopropanecarboxylic acid
+c1cc2cccc3c2c(c1)NC(=N3)N	1PK	1h-perimidin-2-amine
+C[C@H]1CC[C@H]2[C@@]13CC(C[C@@H]3C=C2C(=O)O)(C)C	1PL	(1s,3as,5ar,8as)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid
+COC(=O)N1CCN([C@H](C1)CC(=O)NCc2ccc3c(c2)OCO3)c4ccnc(n4)n5ccnc5	1PM	methyl (3s)-3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
+C[C@H]([C@@H](C=O)[C@H]1NC(=CS1)C(=O)OCC=C)OC(=O)C	1PN	prop-2-en-1-yl (2s)-2-[(2s,3r)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate
+C[C@H]1CO[C@@H](O[C@@H]1[C@@H](C)[C@H]([C@@H](C)/C=C/C(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)c2ccc(cc2)OC	1PO	n-{(1e,4r,5r,7e,9s,10s,11s)-4,10-dimethoxy-11-[(2s,4s,5s)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-n-methylformamide
+CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3cccc(c3Cl)Cl	1PP	1-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea
+C[C@@H](CCCN)Nc1cc(cc2c1nccc2)OC	1PQ	(4s)-n~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NCNCC([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)N	1PR	phosphoric acid mono-[5-({[5-carbamoyl-3-(5-phosphonooxy-5-deoxy-ribofuranosyl)- 3h-imidazol-4-ylamino]-methyl}-amino)-2,3,4-trihydroxy-pentyl] ester
+c1cc[n+](cc1)CCCS(=O)(=O)[O-]	1PS	3-pyridinium-1-ylpropane-1-sulfonate
+C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2	1PT	cyclohexane-1(r),2(r)-diamine-platinum(ii)
+c1ccnc(c1)NC(=O)Nc2cccc3c2[C@H]4CCCN4C3=O	1PU	1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-pyridin-2-yl-urea
+B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O	1PV	[4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O	1PW	(2s,3r,4e)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
+CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	1PX	(2s,3r,4e)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
+c1ccc(cc1)CC(=O)C(=O)O	1PY	2-oxo-3-phenylpropionic acid
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O	1PZ	(2s,3r,4e)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
+CCCCCCCCCCCCCC=CC([C@H](COP(=O)(O)O)NC(=O)CCCCCCCC=CCCCCCCCC)O	1Q0	(2s,3r,4z)-3-hydroxy-2-[(9e)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate
+CC(=O)C[C@@H]1CC(=NO1)c2ccc(c(c2)F)O	1Q1	1-[(5s)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one
+[H]/N=C(/C[C@H](CC(=O)C)O)\c1ccc(c(c1)F)O	1Q2	(4r,6z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one
+c1c(cn[nH]1)c2nc3c(c(n2)N[C@H]4CCC[C@H]4C#N)CC=NC3=O	1Q3	(1r,2s)-2-{[8-oxo-2-(1h-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile
+c1nc2c(c(n1)NC3CCCCC3)C=CNC2=O	1Q4	4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7h)-one
+CCC(CC)Nc1cc(nc(c1C)Oc2c(cc(cc2C)C)C)C	1Q5	3,6-dimethyl-n-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
+Cc1cc(nc(c1)N)COC[C@H](CN)OCc2cc(cc(n2)N)C	1Q6	6,6'-{[(2s)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)COC[C@@H](CN)OCc2cc(cc(n2)N)C	1Q7	6,6'-{[(2r)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
+c1ccc(cc1)C(=O)NCO	1Q8	n-(hydroxymethyl)benzamide
+CCOc1c(cc(cc1CNc2[nH]nnn2)C)C	1Q9	n-(2-ethoxy-3,5-dimethylbenzyl)-1h-tetrazol-5-amine
+c1ccc(cc1)[C@@H](C(=O)O)NC(=O)Cc2csc(n2)c3c(cc(cn3)C#N)O	1QA	(2s)-({[2-(5-cyano-3-hydroxypyridin-2-yl)-1,3-thiazol-4-yl]acetyl}amino)(phenyl)ethanoic acid
+CC(=O)NC1=CCC2=C(C1)CC=C2	1QB	n-(4,7-dihydro-1h-inden-6-yl)acetamide
+CCCc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)CSc3nc(cc(n3)N)N	1QC	n-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide
+c1cc2c[n+](ccc2c(c1)I)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1QD	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+[H]/N=C(\Nc1cc(ccc1)CCc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4	1QE	n,n'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide
+[H]/N=C(\c1cccs1)/Nc2ccc(cc2)CCN(CC)Cc3cccc(c3)N/C(=N/[H])/c4cccs4	1QF	n-(4-{2-[ethyl(3-{[(e)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
+Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)[C@H]4COCCN4	1QG	(3s)-3-{4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridin-2-yl}morpholine
+CC(C)[C@@H]([C@H](C[C@@H](Cc1ccccc1)C(=O)O)O)N	1QI	(2r,4s,5s)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid
+c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)CO)F	1QJ	{4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridin-2-yl}methanol
+CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO	1QK	3-[({3-ethyl-5-[(2s)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium
+CO[C@@](C=O)([C@@H]1NC(=C(CS1)COC(=O)N)C(=O)O)NC(=O)Cc2cccs2	1QL	(2r)-5-[(carbamoyloxy)methyl]-2-{(1s)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3OCCNC4	1QM	9-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine
+CNCc1cc(ccn1)c2cn(nc2c3ccc(cc3)F)C	1QN	1-{4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridin-2-yl}-n-methylmethanamine
+c1ccc(cc1)CNc2nccc(n2)c3cccnc3	1QO	n-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine
+CCOC(=O)c1cnn2c1cccc2	1QP	ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
+CC[C@H](C)C(=O)C(=O)O	1QQ	(3s)-3-methyl-2-oxopentanoic acid
+c1cc(ccc1CNC(=O)c2cc3cnccc3[nH]2)S(=O)(=O)N4CCCCC4	1QR	n-[4-(piperidin-1-ylsulfonyl)benzyl]-1h-pyrrolo[3,2-c]pyridine-2-carboxamide
+c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F	1QS	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide
+CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCCC(=O)N4)O	1QT	(3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one
+c1ccc(cc1)C[C@@H]([C@@H](CNCc2cccc(c2)C(F)(F)F)O)NC(=O)C3=CN(C(=O)C(=C3)N4CCCC4=O)C5CCCC5	1QU	1-cyclopentyl-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide
+c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F	1QV	4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide
+CCCCCCCCCCCC(=O)OC[C@@H](CO)O	1QW	(2r)-2,3-dihydroxypropyl dodecanoate
+CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O	1QX	dodecyl hydrogen (s)-(3-azidopropyl)phosphonate
+CCCCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])O	1QY	tetradecyl hydrogen (r)-(3-azidopropyl)phosphonate
+CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3cccc4c3ccnc4	1QZ	6-ethyl-5-{(3s)-3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3cccc4c3ccnc4	1R0	6-ethyl-5-{3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
+CCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O	1R1	hexadecyl hydrogen (r)-(3-azidopropyl)phosphonate
+c1cc(cc(c1)Oc2cc(cc(c2)O)C(=O)O)[N+](=O)[O-]	1R2	3-hydroxy-5-(3-nitrophenoxy)benzoic acid
+CCCCCCCCCS(CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)(O)O	1R3	n-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1cc(ccc1C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	1R4	l-gamma-glutamyl-s-[2-(4-nitrophenyl)-2-oxoethyl]-l-cysteinylglycine
+c1cc(ccc1c2ccc3c(c2)NC(=O)C(=C3)O)F	1R5	7-(4-fluorophenyl)-3-hydroxyquinolin-2(1h)-one
+CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCN6C=C(C=CC6=O)C(=O)N4)O	1R6	(12s)-12-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione
+c1cc(ccc1CNC(=O)n2cc3ccncc3c2)S(=O)(=O)C4CCN(CC4)C5CCOCC5	1R7	n-(4-{[1-(tetrahydro-2h-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2h-pyrrolo[3,4-c]pyridine-2-carboxamide
+CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCC(=O)N4)O	1R8	(3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one
+Cc1ccc(cc1NC(=O)c2cnc(s2)c3ccccc3Cl)C(=O)NC4CC4	1R9	2-(2-chlorophenyl)-n-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
+CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4	1RA	ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1h-indole-1-carboxylate
+c1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	1RB	1-alpha-d-ribofuranosyl-benzimiazole-5'-phosphate
+CCNC(=O)[C@H]1c2ccccc2CN1C(=O)c3cc(c(cc3O)O)Cl	1RC	(1r)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-n-ethyl-2,3-dihydro-1h-isoindole-1-carboxamide
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NCCCCNC(=O)OCc2cncs2	1RD	n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-l-valinamide
+CC(C)CCOc1cc(ccc1C#N)Nc2nc(nc(n2)OCCN3CCOCC3)OC	1RE	4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile
+C(COCCO[V](O)(O)(O)O)O	1RF	vanadium(5+) hydroxide 2-(2-hydroxyethoxy)ethanolate (1:4:1)
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@H](C=O)[C@@H](C)O	1RG	(4r,5s)-3-({(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid
+C[C@@H](C(=O)N[C@H]1CN(c2ccccc2N(C1=O)Cc3c4ccccc4ccc3OC)C(=O)c5ccc(cc5)N)NC	1RH	n-{(3s)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepin-3-yl}-n~2~-methyl-l-alaninamide
+c1ccc(cc1)Oc2cccc(c2)C(=O)N/N=C/c3ccc(o3)Sc4ncccn4	1RI	3-phenoxy-~{n}-[(~{e})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
+C[C@@H](C(=O)N[C@@H]1C(=O)N(c2ccccc2OC13CCOCC3)Cc4c5ccc(cc5ccc4OC)C(=O)O)NC	1RK	6-methoxy-5-({(3s)-3-[(n-methyl-l-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5h-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid
+CCN(CC)CCOc1cccc2c1N=C3c4c5c(c(c6c4C(=O)[C@](O6)(O/C=C/C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C3O2)C5=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O	1RL	benzoxazinorifamycin-2b
+Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C5C3=Nc6c(cccc6OCCCCN7CCN(CC7)CCn8ccnc8)O5)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O	1RM	benzoxazinorifamycin-2c
+C1=C(C(=O)NC(=S)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/C=N/CC(=O)O	1RN	(e)-n-{[4-oxo-1-(5-o-phosphono-beta-d-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methylidene}glycine
+c1cc2cc(ccc2nc1)/C=C/3\C(=O)N=C(S3)NCc4cccs4	1RO	(5e)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5h)-one
+C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N)F	1RP	6-fluoro-3-oxo-4-(5-o-phosphono-beta-d-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide
+c1ccc2cc(ccc2c1)c3nc4ccc(cc4n3c5ccnc(n5)N[C@@H]6CCCN(C6)C(=O)C7CC7)O	1RQ	cyclopropyl[(3r)-3-({4-[6-hydroxy-2-(naphthalen-2-yl)-1h-benzimidazol-1-yl]pyrimidin-2-yl}amino)piperidin-1-yl]methanone
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)O)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)NC(C)(C)C	1RR	n-(tert-butylcarbamoyl)-3-methyl-l-valyl-(4r)-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-prolinamide
+c1c[nH]c2c1c3c(cn2)ncn3C4CCNCC4	1RS	1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
+C1=C(C(=NC(=O)N1)N)C(=O)O	1RT	4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid
+C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2c3c(cnc2N)c(co3)c4cnn(c4)C5CCNCC5	1RU	7-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine
+c1csc(c1C(=O)N)NC(=O)CSc2[nH]ncn2	1RV	2-{[(1h-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F	1RY	[[(2r,5s)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	1RZ	lamivudine triphosphate
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	1S0	4-amino-1-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-l-erythro-pentofuranosyl}pyrimidin-2(1h)-one
+CCC(CC)(C#N)Nc1nc(nc(n1)n2cncn2)NC	1S1	2-ethyl-2-{[4-(methylamino)-6-(1h-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile
+Cc1c(c(nn1C)c2cc(nc(n2)N)Cl)Cc3ccccc3	1S2	4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine
+C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OP(=O)(O2)O)O)O)O	1S3	(2r,3ar,5r,6s,7s,7ar)-5-(hydroxymethyl)tetrahydro-3ah-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N	1S4	alpha-muramic acid
+CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N	1S5	5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium
+Cc1c(c(no1)c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	1S6	(2r,4s)-5,5-dimethyl-2-[(1r)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid
+CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)Cc2cccs2	1S7	(2r)-2-{(1s)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+COc1cc2c(cc1O)nc(nc2Nc3ccc(cc3)NC(=O)c4ccccc4)Cc5ccccc5	1S8	n-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide
+COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4	1S9	[(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid
+c1(nnc(s1)S(=O)(=O)N)N	1SA	5-amino-1,3,4-thiadiazole-2-sulfonamide
+COc1cccc(c1)CC(=O)N/N=C/c2ccc(cc2)O	1SB	n'-[(1e)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)S)O)O	1SC	5'-o-thiophosphonocytidine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)O)O)O)O	1SD	(1s)-1,5-anhydro-1-sulfamoyl-d-galactitol
+c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O	1SE	n-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide
+c1cc(cc(c1)[N+](=O)[O-])N2CCC(=O)NC2=O	1SF	1-(3-nitrophenyl)dihydropyrimidine-2,4(1h,3h)-dione
+COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O	1SG	n-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide
+CNCCOP(=O)(O)O	1SH	2-(methylamino)ethyl dihydrogen phosphate
+c1ccnc(c1)Sc2ccc(o2)/C=N/NC(=O)c3cccc(c3)F	1SI	3-fluoranyl-~{n}-[(~{e})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
+[H]/N=C(\N)/N[C@H]1C=C(C[C@H]([C@@H]1NC(=O)C)OC(CC)CC)C(=O)O	1SJ	(3s,4r,5r)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CCCO)C(=O)O	1SL	(3s,4r,5r)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1h-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)C	1SM	methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate
+CC[C@H](c1cn(nn1)[C@H]2C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O)O	1SN	(3s,4r,5r)-4-(acetylamino)-3-{4-[(1r)-1-hydroxypropyl]-1h-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)C(C)(C)O)C(=O)O	1SO	(3s,4r,5r)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1h-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+CCC[C@@H](CO)O	1SP	(2s)-pentane-1,2-diol
+c1ccc2c(c1)ccnc2N	1SQ	isoquinolin-1-amine
+CC(=C)[C@H]1CC[C@]2(CCC[NH+]([C@@H]2C1)C)C	1SS	(1r,4as,7s,8ar)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccc(cc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)O)NC)OC	1ST	(5s,6r,7r,9r)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5h,14h-5,9-epoxy-4b,9a,15-triazadibenzo[ b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
+c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5	1SU	n-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide
+CC(=C)[C@H]1CC[C@]2(CCC[NH+]=C2C1)C	1SV	(4as,7s)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium
+c1cc(cc(c1)NC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5)C(F)(F)F	1SW	n-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide
+CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3n2CCS3	1SX	4-tert-butyl-n-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N	1SY	cgamp
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCCN(C)C)C	1SZ	n-[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxamide
+CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4	1T4	n-(pyren-1-yl)acetamide
+[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cc(cc(c3)NC(=O)CC(C)C)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)\N	1T5	3'-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid
+[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cccc(c3)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)\N	1T6	5-aminocarbonyl-2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]phenyl]benzoic acid
+[H]/N=C(\c1ccc2c(c1)[C@H](C[C@H](N2)c3cc(cc(c3)N)c4ccccc4C(=O)O)c5ccccc5)/N	1T7	3'-amino-5'-[(2s,4r)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid
+CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccnc4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	1T8	methyl [(2s)-1-(2-{3-[(3r,6s,10z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCC)O	1T9	(2s,3r,4e)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate
+C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O	1TA	triamcinolone acetonide
+Cc1nc(nc(n1)OC)N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC	1TB	methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate
+Cc1ncc(o1)C(=O)Nc2ccc(c(c2)Cl)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC	1TC	n-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide
+c1ccc2c(c1)/C(=C\c3cccc(c3)C(=O)O)/C(=O)N2	1TD	3-[(e)-(2-oxidanylidene-1h-indol-3-ylidene)methyl]benzoic acid
+C[C@@H]1[C@@H]2[C@H](C(=O)N2[C@H]([C@@H]1SC3CN(C3)c4nccs4)C(=O)O)[C@@H](C)O	1TE	tebipenem
+c1ccc(cc1)C2=NNC(=S)N2CCSCc3ccc(cc3)F	1TH	4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1h-1,2,4-triazole-5-thione
+Cc1cc2c(c(c1)O)C3=C(C(=O)C2)C(=O)c4c(cccc4O)C3=O	1TJ	1,8-dihydroxy-3-methyltetraphene-6,7,12(5h)-trione
+C[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	1TL	1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione
+c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3)O)O	1TM	4,4'-(3-amino-1h-pyrazole-4,5-diyl)diphenol
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-]	1TN	5-hexyl-2-(2-nitrophenoxy)phenol
+Cc1ncc(c(n1)N)C[N@@]2C([C@@H](S[C@@H]2[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O)C	1TP	1-(2-{(2s,4r,5r)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1s)-1-carboxy-1-hydroxyethyl]-4-methyl-1,3-thiazolidin-5-yl}ethoxy)-1,1,3,3-tetrahydroxy-1lambda~5~-diphosphox-1-en-2-ium 3-oxide
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NC=O	1TQ	6-(formylamino)-7-hydroxy-l-tryptophan
+CN(C)Cc1ccn2c(c1)nc(c2c3ccnc(n3)N)c4ccc(cc4)F	1TR	4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)NCc3ccc(cc3)C#N)NS(=O)(=O)c4ccc(c(c4)Cl)OC)\N	1TS	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2s)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide
+C[C@@H]1COCCN1C2=NC3N(CC[C@H](N3Cc4cc(cnc4)Cl)C(F)(F)F)C(=O)C2	1TT	(8s)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3r)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3h-pyrimido[1,2-a]pyrimidin-4-one
+Cc1nc(c(n1C)O)Cc2cc(c(c(c2)F)O)F	1TU	4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1h-imidazol-5-ol
+C[Se][C@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O	1TW	2-amino-9-(2-se-methyl-5-o-phosphono-2-seleno-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one
+COC(=O)CCCC[C@@H](C(=O)O)N	1TX	(2s)-2-amino-7-methoxy-7-oxoheptanoic acid
+c1ccc(cc1)CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N	1TY	3-{(3e)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}alanine
+Cc1cc(c(c(c1)C)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C	1TZ	(2s)-2-azanyl-3-(3h-indol-3-yl)-n-[(e)-(2,4,6-trimethylphenyl)methylideneamino]propanamide
+Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](CO)O)CCOP(=O)(O)OP(=O)(O)O	1U0	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate
+c1c(c(sc1Cl)C(=O)O)S(=O)(=O)N	1U1	5-chloro-3-sulfamoylthiophene-2-carboxylic acid
+[H]/N=C(/c1ccc2cc(ccc2c1)NC(=O)Nc3ccccc3)\N	1U2	6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide
+Cc1c(c(no1)c2ccccc2Cl)C(=O)NCC(=O)O	1U3	n-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)N[P@](=O)(CNC(=O)OCc2ccccc2)O	1U4	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-phenylalanyl-l-leucine
+C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)O	1U5	(1r,4s)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
+CCN1C(=O)CC(=O)N(C1=S)CC	1U6	1,3-diethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
+c1ccc(cc1)[C@]2(CCN[C@@H]3[C@@H]2CCCC3)O	1U7	(4r,4as,8as)-4-phenyldecahydroquinolin-4-ol
+Cc1cccc(c1C(=O)OCC(=O)[C@H](CC(=O)O)N)C	1U8	(3s)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid
+[H]/N=C(/c1ccc2cc(ccc2c1)/C=C/c3cccc(c3)CCO)\N	1U9	6-{(e)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide
+Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2	1UA	2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4h-cyclopenta[d]pyrimidin-4-one
+C(=C/C(=C(/C(=O)O)\N)/C(=O)O)C=O	1UC	(2e)-2-amino-3-[(1e)-3-oxoprop-1-en-1-yl]but-2-enedioic acid
+CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)OC)N=C(NC3=O)N	1UD	methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-3-o-methyl-beta-d-ribo-hexofuranoside
+c1ccc(cc1)Sc2cccc3c2c4c([nH]3)N=C(NC4=O)N	1UE	2-amino-5-(phenylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-b]indol-4-one
+Cc1c(c2c([nH]1)N=C(NC2=O)N)Sc3ccc(c(c3)Cl)C(=O)NC(CCC(=O)O)C(=O)O	1UF	n-{4-[(2-amino-6-methyl-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chlorobenzoyl}-l-glutamic acid
+c1ccc2c(c1)cccc2Sc3cccc4c3c5c([nH]4)N=C(NC5=O)N	1UG	2-amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-b]indol-4-one
+c1cc2ccsc2c(c1)c3cc4c(cnc(c4o3)N)c5cnn(c5)C6CCNCC6	1UH	2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine
+CC(=O)Nc1nc2ccc(cc2s1)C(=O)OC	1UJ	methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate
+CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F	1UK	n-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide
+CC(=O)N1CCC(CC1)n2cc(cn2)c3cnc(c4c3cc(o4)c5cccc6c5snn6)N	1UL	1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1h-pyrazol-1-yl}piperidin-1-yl)ethanone
+Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O	1UN	2-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl sulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide
+c1cc(c2c(c1)nns2)c3c(c4c(cnc(c4o3)N)c5cnn(c5)C6CCC(CC6)O)Cl	1UO	trans-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1h-pyrazol-1-yl}cyclohexanol
+[H]/N=C(/c1ccc2ccc(c(c2c1)OCC(=O)N)OC)\N	1UP	2-[(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxy]acetamide
+CN(C(=O)CS[C@@H](c1ccccc1)P(=O)(O)O)O	1UQ	[(s)-({2-[hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)O	1UR	4-(4-oxo-4h-chromen-2-yl)benzoic acid
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2Cl	1US	2-(2-chloranylphenoxy)-5-hexyl-phenol
+CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2	1UT	2-[4-(dimethylamino)phenyl]-4h-chromen-4-one
+c1c2c(c3c(c1F)N4CC[C@H]([C@H]4COC3)N)N(C=C(C2=O)C(=O)O)C5CC5	1UV	(3as,4r)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1h,3h-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid
+CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2	1UW	ethyl 4-(4-oxo-4h-chromen-2-yl)benzoate
+CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3nc(cc(n3)N)N	1UX	1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N	1UZ	4-(4-oxo-4h-chromen-2-yl)benzonitrile
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-]	1V0	2-(4-nitrophenyl)-4h-chromen-4-one
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Cl	1V1	2-(4-chlorophenyl)-4h-chromen-4-one
+c1cc(ccc1CCN2CC[C@@H](C[C@@H]2CO)O)Nc3nc(cs3)c4ccc(c(c4)Cl)Cl	1V2	(2r,4s)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol
+c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)Cl	1V3	6-chloro-2-phenyl-4h-chromen-4-one
+c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)F	1V4	6-fluoro-2-phenyl-4h-chromen-4-one
+c1cc(ccc1C2(CC2)NC(=O)c3ccc4c(c3)n5ccnc5c(n4)NC6CCC(CC6)O)F	1V5	n-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide
+c1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N	1V6	4-(4-benzylphenyl)-1,3-thiazol-2-amine
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc4c(c3)OCO4	1V8	2-(1,3-benzodioxol-5-yl)-4h-chromen-4-one
+CC[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1V9	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-phenylpropyl]propanamide
+c1ccc(cc1)C[C@@H](CO)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1VA	n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
+C[C@@H](c1ccc(cc1)S(=O)(=O)N)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1VB	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(4-sulfamoylphenyl)ethyl]propanamide
+COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1VC	methyl n-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-l-phenylalaninate
+C[C@@H](c1ccc(cc1)n2ccnc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3	1VD	n-{(1s)-1-[4-(1h-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
+c1ccc2c(c1)[nH]c(n2)COc3cccc(c3)C(=O)c4c(non4)N	1VE	(4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1h-benzimidazol-2-ylmethoxy)phenyl]methanone
+CN1CCN(CC1)C(=O)c2ccc(cc2)C3=CC(=O)c4ccccc4O3	1VF	2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4h-chromen-4-one
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)c4[nH]nnn4	1VG	2-[4-(1h-tetrazol-5-yl)phenyl]-4h-chromen-4-one
+COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC	1VI	3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{h}-imidazol-5-yl]pyridin-2-yl]propanamide
+CCOC(=O)COc1cccc(c1)C(=O)c2c(non2)N	1VJ	ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate
+c1ccc(cc1)C(=O)c2c(non2)N	1VK	(4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone
+c1ccc2c(c1)[C@@H](C(=O)N2CN3CCN(CC3)Cc4ccc5c(c4)OCO5)O	1VL	(3s)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2h-indol-2-one
+Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N	1VM	7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
+Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4cc5c(cc4Cl)c(nc(n5)N)N	1VN	6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
+Cc1cc2c(cc1C)n(c(n2)c3cscn3)c4ccc5c(c4)nc(nc5N)N	1VO	7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
+CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc1ccccc1	1VP	n-(phenylacetyl)glycyl-n~6~-acetyl-l-lysine
+Cc1ncc(n1CCOS(=O)(=O)N)[N+](=O)[O-]	1VQ	2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl sulfamate
+CC(C)[C@@H](CC(=O)O)N	1VR	(3r)-3-amino-4-methylpentanoic acid
+CCNC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4	1VS	n-ethyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide
+c1ccc(cc1)CNCCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4	1VT	n-benzyl-2-[(n-benzyl-beta-alanyl)amino]-4-phenylthiophene-3-carboxamide
+CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	1VU	propionyl coenzyme a
+c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O	1VV	(1s,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
+c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5c6[nH]nnn6	1VW	2-{[(1s)-2-{[(1r,2s)-2-(1h-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1h-isoindole-1,3(2h)-dione
+Cc1cccc2c1CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O	1VX	(1s,2r)-2-{[(1s)-5-methyl-1-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
+CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O	1VY	1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl)-d-ribitol
+c1cc(ccc1CCN2CCCC2)N3CCC(CC3)N4CCCC4	1VZ	4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine
+c1cc(cc(c1)[C@]23CCOC[C@H]2OC(=N3)N)c4cncnc4	1W0	(3as,7ar)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4h-pyrano[4,3-d][1,3]oxazol-2-amine
+c1cc(c(nc1)N2CC[C@]3([C@@H](C2)OC(=N3)N)c4ccc(cc4F)F)C#N	1W1	2-[(3ar,7ar)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4h)-yl]pyridine-3-carbonitrile
+c1cc(c(nc1)N2CC[C@@H]3[C@](C2)(N=C(O3)N)c4ccc(cc4F)F)C#N	1W2	2-[(3as,7ar)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4h)-yl]pyridine-3-carbonitrile
+Cc1cc(cc(c1O)C)/C=C/C2=C(c3ccc(cc3OC2=O)O)C	1W3	7-hydroxy-3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2h-chromen-2-one
+Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)Sc3ccc(cc3)F	1W4	s-(4-fluorophenyl) 3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate
+c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	1W5	(1r)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol
+CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2	1W6	ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate
+Cc1ccc(cc1)CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C	1W7	n-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide
+CCO/N=C(/c1nc(sn1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Sc4nc(cs4)c5cc[n+](cc5)C)C(=O)O	1W8	ceftaroline
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](CO)C(=O)O)O	1W9	(2r)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid
+c1c[n+]-2c(nc([nH]c2[n+]1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)O	1WA	2-amino-8-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroxy-1h-imidazo[1,2-a][1,3,5]triazine-5,8-diium
+COc1cc(cc(c1)C(=O)O)C(=O)O	1WB	5-methoxybenzene-1,3-dicarboxylic acid
+Cc1c(cn[nH]1)c2ccccc2Cl	1WC	4-(2-chlorophenyl)-5-methyl-1h-pyrazole
+c1cc(c(nc1)C(=O)O)S	1WD	3-sulfanylpyridine-2-carboxylic acid
+C[C@@H](Cc1ccccc1)N	1WE	(2s)-1-phenylpropan-2-amine
+C[C@@H](Cc1ccc(cc1)O)NC	1WF	4-[(2s)-2-(methylamino)propyl]phenol
+C1=C(C(=O)C=C(C1=O)O)O	1WG	2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
+Cc1c(c(c2c(n1)CN(C2=O)CCOC)c3ccc(cc3Cl)Cl)CN	1WH	3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5h-pyrrolo[3,4-b]pyridin-5-one
+CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)O)N=C(NC3=O)N	1WJ	methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-2-o-methyl-beta-d-ribo-hexofuranoside
+CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)O)N=C(NC3=O)N	1WK	methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-beta-d-ribo-hexofuranoside
+c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)NO	1WL	nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n-hydroxy-l-histidinamide
+c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H]([C@H](c3ccc(cc3)O)O)C(=O)NO	1WM	(betas)-nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n,beta-dihydroxy-l-tyrosinamide
+C[C@](c1ccc(cc1)O)([C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#Cc3ccc(cc3)N)O	1WN	(betas)-nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n,beta-dihydroxy-beta-methyl-l-tyrosinamide
+CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C	1WO	(5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione
+c1cc(cc(c1)[C@]23CCCC[C@H]2OC(=N3)N)c4cc(cnc4)Cl	1WP	(3ar,7ar)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine
+C[C@H]1C(=O)Nc2cc(ccc2O1)CN3CCC(=CC3)c4ccc(cc4)Cl	1WQ	(2s)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2h)-yl]methyl}-2-methyl-2h-1,4-benzoxazin-3(4h)-one
+c1cc(cc(c1)F)Nc2c-3c(n[nH]2)CCc4c3[nH]nc4C(=O)NCCCN	1WS	n-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide
+CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCOC4=CC=[N](c5c4cccc5)O)C	1WT	11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one
+B1(c2cc(ccc2CO1)Oc3ccc(cc3F)CN)O	1WU	6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3h)-ol
+CCCCCCC=CCCCCCC(=O)OC[C@H](CO)O	1WV	(2s)-2,3-dihydroxypropyl (7z)-tetradec-7-enoate
+c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)I	1WW	{5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2F)F)Br)F)F	1WX	{2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
+CCC(=O)Nc1ccc(c(c1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl)OC	1WY	n-(3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide
+Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)O	1WZ	3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid
+C=CCCCC[C@@H](C(=O)O)N	1X0	(2s)-2-aminooct-7-enoic acid
+c1ccc2c(c1)CCN(C2)C(=O)O	1X1	3,4-dihydroisoquinoline-2(1h)-carboxylic acid
+c1ccc(cc1)CCCCCCN=C=S	1X2	6-isothiocyanatohexylbenzene
+c1ccc2c(c1)CCN(C2)C(=O)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CCCCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCC6)C(=O)NS(=O)(=O)C7CC7	1X3	(2r,6s,13ar,14ar,16as)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1h)-carboxylate
+C1C[C@H](O[C@@H]1COP(=O)(O)O)O	1X4	2,3-dideoxy-5-o-phosphono-alpha-d-ribofuranose
+CN(Cc1cccnc1)c2ccc(c(c2)C(=O)O)NC(=O)C3CC3	1X5	2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
+C([C@@H](C(=O)O)N)OC(=O)/C=C/N	1X6	o-[(2e)-3-aminoprop-2-enoyl]-l-serine
+c1c2c(c(cnc2N)C(=O)N)sc1Br	1X7	4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide
+c1c2c(c(cnc2N)C(=O)N)sc1C(=O)N	1X8	4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide
+C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N	1X9	cerulenin
+Cc1c(c(on1)N)c2ccccc2	1XA	3-methyl-4-phenyl-1,2-oxazol-5-amine
+Cc1c(sc-2c1C(=N[C@H](c3c2c(no3)C)CC(=O)N)c4ccc(cc4)Cl)C	1XB	2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide
+c1cc(ccc1CNC(=O)c2ccc3n(c2)cc[n+]3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)S(=O)(=O)c5cc(cc(c5)F)F	1XC	6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium
+c1cc(ccc1CNC(=O)c2ccn3ccnc3c2)S(=O)(=O)c4cc(cc(c4)F)F	1XD	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide
+CC(C)(COP(=O)(O)OP(=O)(O)OCc1c(c(c(o1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N/C=C/SCC(O)O)O	1XE	[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3r)-4-{[3-({(e)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
+c1ccc(c(c1)C(=O)O)NC(=O)CSC(=O)N	1XF	2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid
+C/C=C/C/C=C/CCC(=O)[C@@H](CC(=O)N)O	1XG	(3r,7e,10e)-3-hydroxy-4-oxododeca-7,10-dienamide
+C[C@@H]1CC[C@]2([C@@H]([C@@]1(C)CC3=CC(=O)C=CC3=O)CCCC2=C)C	1XH	2-{[(1s,2r,4as,8ar)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione
+CC(=O)N[C@H]1CN\2[C@H](CS/C2=N\Cc3ccccc3)[C@H]([C@@H]1O)O	1XI	~{n}-[(3~{z},6~{s},7~{r},8~{r},8~{a}~{s})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide
+CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C	1XJ	4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-[(4-{[(2r)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide
+C1=C(N=C2C(=O)NC(=O)N=C2N1C[C@H]([C@@H]([C@@H](CO)O)O)O)CO	1XL	1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl]-d-arabinitol
+c1c2c([nH]n1)NC(=S)N=C2N	1XM	4-amino-1,7-dihydro-6h-pyrazolo[3,4-d]pyrimidine-6-thione
+c1ccc2c(c1)c([nH]c2N)N	1XN	2h-isoindole-1,3-diamine
+c1ccc(cc1)CCC(=O)N(Cc2cccs2)CC3=Nc4ccccc4C(=O)N3	1XO	n-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-n-(thiophen-2-ylmethyl)propanamide
+COc1cc(c(cc1C(=O)NCCN2CCC(CC2)C(=O)c3ccc(cc3)F)C#N)Cl	1XP	4-chloro-5-cyano-n-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide
+c1cc(sc1)CN(CC2=NC3=C(COCC3)C(=O)N2)C(=O)CN4CCC(CC4)C(=O)c5ccc(cc5)F	1XQ	2-[4-(4-fluorobenzoyl)piperidin-1-yl]-n-[(4-oxo-3,5,7,8-tetrahydro-4h-pyrano[4,3-d]pyrimidin-2-yl)methyl]-n-(thiophen-2-ylmethyl)acetamide
+c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)F	1XS	5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid
+Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccc(cc3)OCc4ccc(cc4)c5ccc(o5)C(=O)O	1XT	5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1h-pyrazole-3-carboxylic acid
+c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4ccnn4c5ccc(c(c5)Cl)Cl	1XU	5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1h-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid
+c1cc(ccc1C2=C(COCC2)CN3CCN(CC3)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NC6CCOCC6)Cl	1XV	4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2h-pyran-3-yl]methyl}piperazin-1-yl)-n-{[3-nitro-4-(tetrahydro-2h-pyran-4-ylamino)phenyl]sulfonyl}benzamide
+C1[C@@H]2C[C@@H]2N3[C@H]1CN[C@@H](C3)C(=O)O	1XW	(1as,4s,6ar,7as)-octahydro-1h-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxylic acid
+C[C@@H]1C(=O)C(=C(O1)C)O	1XX	(2r)-4-hydroxy-2,5-dimethylfuran-3(2h)-one
+c1ccc2c(c1)[C@@H](CCO2)N	1XY	(4r)-3,4-dihydro-2h-chromen-4-amine
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3C[C@@H]4C[C@@H]4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC	1Y0	(4s,6ar,7as)-5-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]octahydro-1h-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide
+CN(C)CCOc1cccc(c1CN2CCN(CC2)c3ccc(c(c3)Oc4ccc5c(c4)cc[nH]5)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])NCC7CCOCC7)c8ccc(cc8)Cl	1Y1	4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1h-indol-5-yloxy)-n-({3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide
+C1CC(CCC1[C@@H](C(=O)O)N)(F)F	1Y2	(2s)-amino(4,4-difluorocyclohexyl)ethanoic acid
+CCO[C@@H]1C[C@@H]2CN[C@@H](CN2C1)C(=O)O	1Y3	(3s,7r,8ar)-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
+C1C[C@@H]2CN[C@@H](CN2C1)C(=O)O	1Y4	(3s,8ar)-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
+c1ccc2c(c1)CCC[C@H]2N	1Y5	(1r)-1,2,3,4-tetrahydronaphthalen-1-amine
+c1cc(ccc1C(=O)O)F	1Y6	4-fluorobenzoic acid
+C([C@@H]([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O)O	1Y7	(2r,3r,4s,5r,6s)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate
+C[As](C)(C)CCO	1Y8	2-(trimethyl-lambda~5~-arsanyl)ethanol
+CC(=CC[C@]1(C=C(C[C@@H]1O)CO)C=O)C	1Y9	vibralactone, bound form
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O	1YA	n-{4-[{[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-l-glutamic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O)N	1YC	2-amino-9-[(1r,3r,6r,8r,9r,11s,14r,16r,17r,18r)-16-(6-amino-9h-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6h-purin-6-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]4[C@@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N	1YD	2-amino-9-[(2r,3r,3ar,5s,7as,9r,10r,10ar,12r,14as)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6h-purin-6-one
+Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O	1YE	(5,6-dimethyl-9-oxo-9h-xanthen-4-yl)acetic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O	1YF	 [(2r,3r,4s,5s,6r)-4-formamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+C[C@@H](c1ccccc1)C(=O)Nc2ncc(s2)SCc3ncc(o3)C(C)(C)C	1YG	(2s)-n-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC	1YH	(3s,8ar)-n-((r)-chroman-4-yl)-2-((s)-2-cyclohexyl-2-((s)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N	1YJ	n-[4-({[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)c5cc(c(c(c5)OC)OC)OC)O)(C(=O)C=CC3(C)C)C)O	1YK	territrem b
+Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OC[C@@H]4C	1YL	dihydrotanshinone i
+CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C(=O)O)c3nc(cs3)C(F)(F)F	1YM	6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid
+CC[C@@H](C)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl	1YN	2-[(2r)-butan-2-yl]-4-{4-[4-(4-{[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3h-1,2,4-triazol-3-one
+Cc1ccccc1CSc2nncn2N	1YO	3-[(2-methylbenzyl)sulfanyl]-4h-1,2,4-triazol-4-amine
+CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C3=NNC(=O)O3)c4nc(cs4)C(F)(F)F	1YP	1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea
+c1cc(cc(c1)Oc2ccc(cc2OCCN3C=CC(=O)NC3=O)Cl)/C=C/C#N	1YQ	(2e)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Br)/C=C/C#N	1YR	(2e)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F	1YS	(1r,3s,4s,5r)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide
+CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)O[C@H](COC)C(F)(F)F	1YT	(1r,3s,4s,5r)-3-(4-amino-3-fluoro-5-{[(2r)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}benzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide
+CC(C)(C)c1cccc(c1)CN[C@H]2C[S@@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F	1YU	(1s,3s,4s,5r)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide
+C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N	1YV	n-[(2r)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide
+CC(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CCCC3	1YW	n-({(5s)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)acetamide
+CC(C)S(=O)(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CC[C@@H](C3)NC(=O)C	1YX	n-[(3s)-1-{2-fluoro-4-[(5s)-5-{[(propan-2-ylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}pyrrolidin-3-yl]acetamide
+C[C@H]1COCCN1C[C@H]2CN(CCN2c3ccc(cc3)[C@](C)(C(F)(F)F)O)S(=O)(=O)c4cccs4	1YY	(2r)-1,1,1-trifluoro-2-{4-[(2s)-2-{[(3s)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol
+CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N	1YZ	4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)c1nc2ccc(cc2s1)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)NC	1Z0	n-methyl-d-phenylalanyl-n-{(1s)-4-carbamimidamido-1-[(6-carboxy-1,3-benzothiazol-2-yl)carbonyl]butyl}-l-prolinamide
+CC[C@H](C)CNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=S)NC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N(C)C)O	1Z1	n-(dimethylsulfamoyl)-l-phenylalanyl-n-[(1s,2s)-2-hydroxy-4-{[(2s)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-n~6~-(methylcarbamothioyl)-l-lysinamide
+Cc1c(c[nH]n1)c2ccc(cc2)F	1Z6	4-(4-fluorophenyl)-3-methyl-1h-pyrazole
+CC(C)C[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC	1Z7	n-(3-methylbutanoyl)-l-valyl-n-{(1s)-1-[(r)-[(1r)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-l- valinamide
+c1ccc(cc1)c2c[nH]nc2C(F)(F)F	1Z8	4-phenyl-3-(trifluoromethyl)-1h-pyrazole
+c1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)CN	1ZB	n-[(1s)-1-benzyl-3-diazen-1-iumylidene-2-oxopropyl]glycinamide
+COc1cccc(c1)C(=O)c2c(non2)N	1ZC	(4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone
+CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C	1ZD	n-{(2s)-2-[(n-acetyl-l-threonyl-l-isoleucyl)amino]hexyl}-l-norleucyl-l-glutaminyl-n~5~-[amino(iminio)methyl]-l-ornithinamide
+CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O	1ZG	n-(3-carboxypropanoyl)-l-valyl-n-{(1r)-1-[(s)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-l-prolinamide
+CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@H](C(C)C)[C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)COc4cccc5c4cccc5)O)O	1ZK	4-[(2r)-3-{[(1s,2s,3r,4s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1s,2r)-2-methyl-1-[(pyridin-2-ylmethyl)carba moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1h-imidazol-3-ium
+C[C@@H](C=C(C)/C=C/[C@@H]([C@H](C)C(=O)O)N)[C@H](Cc1ccccc1)OC	1ZN	(2s,3s,4e,6e,8s,9s)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
+c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F	1ZQ	5,6-bis(4-fluorophenyl)pyridine-2,3-diol
+CC(=O)N[C@@H](CS)C(=O)O	1ZT	n-acetyl-l-cysteine
+c1ccc(cc1)CC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)[C@H](NCCCCCCC[C@H](N2)O)O)CCCNC(=[NH2+])N	1ZV	amino({3-[(3r,5r,14s,16s,21ar)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1h-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium
+c1cc(ccc1CNC=S)C#N	1ZW	n-[(4-cyanophenyl)methyl]methanethioamide
+CCCCCCCCCCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	1ZZ	5'-o-[(s)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine
+c1cc(ccc1C[C@@H](C(=O)O)N)Cl	200	4-chloro-l-phenylalanine
+c1ccc(cc1)c2ccc(cc2)c3cc(cc(c3)C(=O)O)C(=O)N	201	3-amido-5-biphenyl-benzoic acid
+OBr(=O)=O	202	bromic acid
+c1[nH]c2c(n1)NS(=O)(=O)NC2=O	203	1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4(3h)-one 2,2-dioxide
+CCOC(=O)c1cnc(nc1O)N	204	2-amino-4-hydroxypyrimidine-5-carboxylic acid ethyl ester
+c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl	205	2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
+c1c2c(c(nc1N)OCC3CCCCC3)nc[nH]2	207	1-amino-6-cyclohex-3-enylmethyloxypurine
+CCO[C@@H](Cc1ccc2c(c1)ccn2Cc3c(oc(n3)c4ccccc4Cl)C)C(=O)O	208	(2s)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1h-indol-5-yl)-2-ethoxypropanoic acid
+CN1c2c(nc([nH]2)N)C(=O)N(C1=O)C	209	8-amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione
+CCn1c2c(cn1)c(c(cn2)C(=O)NCc3ccccc3)NC4CCOCC4	20A	1-ethyl-n-(phenylmethyl)-4-(tetrahydro-2h-pyran-4-ylamino)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
+c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O	20B	2-(3-hydroxyphenyl)-4h-chromen-4-one
+Cc1cccc2c1C(=O)N(C2=O)c3ccc(c(c3)O)C(=O)O	20C	2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzoic acid
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)F	20D	2-(4-fluorophenyl)-4h-chromen-4-one
+C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O	20E	(2beta,3beta,5beta,22r)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one
+c1cc(ccc1c2[nH]nnn2)C3=C(C=C(C(=O)N3)O)c4ccc(cc4)F	20F	5-(4-fluorophenyl)-3-hydroxy-6-[4-(1h-tetrazol-5-yl)phenyl]pyridin-2(1h)-one
+c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)NC(=O)CCCS	20G	n-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide
+c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)C(=O)NCCS	20H	1-[(2,4-dichlorophenoxy)acetyl]-n-(2-sulfanylethyl)piperidine-4-carboxamide
+CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl	20J	7-chloro-3-methyl-2h-1,2,4-benzothiadiazine 1,1-dioxide
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)Cl)N(C)C	20K	2-chloro-n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n~1~,n~1~-dimethylbenzene-1,4-diamine
+c1ccc(cc1)Oc2ccc(cc2)C[NH3+]	20L	(4-phenoxyphenyl)methylazanium
+c1cc(ccc1CNC2=Nc3ccncc3S(=O)(=O)N2)S(=O)(=O)N4CCC(CC4)N5CCCC5	20M	n-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2h-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide
+CC(=O)Nc1ccc(cc1)NC(=O)C2CC2	20N	n-[4-(acetylamino)phenyl]cyclopropanecarboxamide
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)[C@H]3C[C@@H]3c4cccnc4	20O	(1s,2s)-n-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide
+c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3ccncc3	20P	(1s,2s)-2-phenyl-n-(pyridin-4-yl)cyclopropanecarboxamide
+CC(=O)N1CCC[C@@H](C1)[C@]2(c3ccc(cc3NC2=O)Cl)Cc4cccc(c4)Cl	20Q	(3s)-3-[(3r)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2h-indol-2-one
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3	20R	n-[4-(phenylsulfonyl)benzyl]-2h-pyrazolo[3,4-b]pyridine-5-carboxamide
+CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O	20S	beta-d-fructofuranosyl 6-o-octanoyl-alpha-d-glucopyranoside
+c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnn(c4nc3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(F)(F)F	20T	1-(5-o-phosphono-beta-d-ribofuranosyl)-n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
+CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4)C(=O)N)c5cccc(c5F)Cl	20U	(2's,3r,4's,5'r)-n-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
+Cc1c(c(c(c(n1)/N=N/c2cc3c(cc(cc3S(=O)(=O)O)[N+](=O)[O-])c(c2)S(=O)(=O)O)COP(=O)(O)O)C=O)O	20V	3-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid
+CC(C)(C)C[C@H]1[C@]2(c3c(cc(s3)Cl)NC2=O)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4OC)C(=O)N)c5cccc(c5F)Cl	20W	(2s,3r,4r,5r)-n-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F	20X	n-({(2e)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3	20Y	4-(acetylamino)-n-[2-amino-5-(thiophen-2-yl)phenyl]benzamide
+c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)Nc4ccc(cc4)S(=O)(=O)N)N	20Z	4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+C(CN)C(O)(P(=O)(O)O)P(=O)(O)O	210	pamidronate
+C(CO)N(CCO)CCO	211	2,2',2''-nitrilotriethanol
+C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN	212	alendronate
+c1ccc(cc1)[C@@](Cc2ccc(cc2)c3cccc(c3)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)n5c6ccccc6nn5	213	4'-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)-1,1'-biphenyl-3-ylphosphonic acid
+Cc1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6	214	6-[4-((2r)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl]-2-methylquinolin-8-ylphosphonic acid
+CN(C)CCOc1ccc(cc1)c2[nH]c(c(n2)c3ccc\4c(c3)CC/C4=N/O)c5ccncc5	215	(1z)-5-(2-{4-[2-(dimethylamino)ethoxy]phenyl}-5-pyridin-4-yl-1h-imidazol-4-yl)indan-1-one oxime
+C=CCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CC=C)Cc2ccccc2)O)O)Cc3ccccc3	216	[4-r-(4-alpha,6-beta,7-beta]-hexahydro-5,6-di(hydroxy)-1,3-di(allyl)-4,7-bisphenylmethyl)-2h-1,3-diazepinone
+C=CCC[C@@H](CO)O	217	(2s)-hex-5-ene-1,2-diol
+Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO	218	1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
+c1ccc(c(c1)C=O)O[P@@](=O)(O)OCC2CCCCC2	219	cyclohexylmethyl 2-formylphenyl hydrogen (s)-phosphate
+c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)c4[nH]nnn4	21A	6-(4-fluorophenyl)-5-[4-(1h-tetrazol-5-yl)phenyl]pyridine-2,3-diol
+CNCCC=C1c2ccccc2CCc3c1cccc3	21B	nortriptyline
+CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2O)Cl)Cl	21C	n-{1-[n-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
+c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O	21D	naphthalene-1,5-disulfonic acid
+CC(C)(C)n1c(c(c(n1)c2ccc3ccccc3n2)C(=O)N)N	21E	5-amino-1-tert-butyl-3-(quinolin-2-yl)-1h-pyrazole-4-carboxamide
+CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)I	21F	n-{1-[n-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
+c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F	21G	(2s,3s)-3-[[5-fluoranyl-2-(5-fluoranyl-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
+C(O)OCO	21H	oxydimethanol
+CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2c(cc(c3c2OC(O3)(C)C)Cl)Cl	21J	n-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide
+CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(cc2Cl)Cl	21K	n-{1-[n-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide
+CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCC(=O)OC)OC)O)C)O	21L	methyl 3-{4-[({[(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}propanoate
+CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl	21M	n-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F	21N	n-{[(2e)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-d-glucopyranosylamine
+c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)C(F)(F)F)C(C(=O)O)C(=O)O	21O	{(1r)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}propanedioic acid
+C[Si]1(C[Si](c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C	21P	4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1h-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid
+CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)C	21Q	4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide
+CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl	21R	n-{1-[n-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
+CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2c(cc(c3c2nsn3)Cl)Cl	21S	n-{1-[n-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide
+CC(C)(C)c1c(cnn1c2ccc(cc2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5	21T	4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid
+CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N	21U	d-leucyl-n-(3-chlorobenzyl)-l-prolinamide
+c1cc(ccc1CC[C@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	21V	n-(4-{2-[(6s)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-l-glutamic acid
+c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4	21W	n-(4-{[(1h-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+c1cc(ccc1CN)CNC(=O)c2csc3c2C(=O)NC=N3	21X	n-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+CCC(=O)N1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)Cl	21Y	1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one
+c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)S(=O)(=O)N)N	21Z	3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
+C(CC=C(CCC=C(CCC=O)C=O)C=O)CC=O	220	undeca-3,7-diene-1,3,7,11-tetracarbaldehyde
+c1c(cc(cc1C(F)(F)F)NC(C(C#N)C(=O)N)S)C(F)(F)F	221	(2r,3r)-3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-cyano-3-thioxopropanamide
+c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccc(cc3Cl)F)C4=NN(C(=O)C=C4)c5ccccc5Cl	222	2-(3-{(2-chloro-4-fluorophenyl)[1-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]amino}propyl)-1h-isoindole-1,3(2h)-dione
+c1c(c2c([nH]1)c(ncn2)N)C[N@@]3C[C@@H]([C@H](C3)O)CO	223	(3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol
+c1cc(ccc1CCC2(OCCO2)Cn3ccnc3)Cl	224	1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1h-imidazole
+CCOC(=O)C1=C(NC(=C([C@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C	225	felodipine
+c1c(cc(c2c1c(c(cc2O)O)O)O)O	226	naphthalene-1,2,4,5,7-pentol
+CN1CCN(CC1)S(=O)(=O)c2cccc3c2C[N@](CC3)c4c5cc(c(cc5ncn4)OC)OC	227	6,7-dimethoxy-4-{8-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydroisoquinolin-2(1h)-yl}quinazoline
+Cc1cc(nc(n1)n2ccnc2)N3CCC[C@@H]3C(=O)NCCc4ccc5c(c4)OCO5	228	n-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1h-imidazol-1-yl)-6-methylpyrimidin-4-yl]-d-prolinamide
+c1c(c2c([nH]1)C(=O)NC=N2)CN[C@H](CO)[C@@H](CO)O	229	7-({[(1r,2s)-2,3-dihydroxy-1-(hydroxymethyl)propyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+c1c(c2c([nH]1)C(=O)NC=N2)CNC(CO)CO	22A	7-({[2-hydroxy-1-(hydroxymethyl)ethyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H](CCC(C)(C)O)C(C)(C)O	22B	bacterioruberin
+CCC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl	22C	1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one
+c1cc(ccc1C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	22D	4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid
+CC1=C2c3cc(ccc3N=C2C(=C4C1C(=O)NC=C4)C)OC(=O)c5ccccc5	22E	5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate
+c1cc(ccc1C(=O)c2ccncc2)F	22F	(4-fluorophenyl)(pyridin-4-yl)methanone
+c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccc(cc2)O)C(=O)O)N	22G	n-[(2s)-2-amino-3-phenylpropyl]-l-tyrosine
+C[C@H](C(=O)O)O[C@H]([C@H](CO)NC(=O)C)[C@@H]([C@@H](COP(=O)(O)O)O)O	22H	2-(acetylamino)-3-o-[(1r)-1-carboxyethyl]-2-deoxy-6-o-phosphono-d-glucitol
+c1ccc(c(c1)C(=O)[C@@H](/C=C/C(=O)C(=O)O)F)F	22J	(3e,5r)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid
+Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)[C@@H]4CCC[C@@H](C4)N	22K	5-[(1r,3s)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
+c1ccc(cc1)c2csc3c2C(=O)NC=N3	22L	5-phenylthieno[2,3-d]pyrimidin-4(3h)-one
+[H]/N=C(\c1ccc2cc([nH]c2c1)c3ccccc3C)/N	22M	2-(2-methylphenyl)-1h-indole-6-carboximidamide
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@@H]1NC(=O)C)N)C(=O)O	22N	(3r,4s,5s)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+c1cc(cc(c1)Br)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	22O	n-({(2e)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+c1ccc(cc1)CC[C@@](CN)(C(=O)O)O	22P	(2r)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid
+CC(C)CC1=N/C(=C\S)/C(=O)NC1=O	22Q	(3z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1h,3h)-dione
+c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl	22S	n-({(2e)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+c1c2c(cc(c1O[C@H]3CCNC3)Cl)C(=O)NC=C2	22T	7-chloranyl-6-[(3s)-pyrrolidin-3-yl]oxy-2h-isoquinolin-1-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl)N	22U	d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide
+CC[C@H](C)[C@@H](C1=NC(=C=S)C(=O)O1)N	22W	2-[(1s,2s)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4h)-one
+CC(=O)NCCC[C@@](c1cccc(c1)Cl)([C@@H]2CCCN(C2)C(=O)N[C@@H](CC3CCCCC3)CNC)O	22X	(3r)-3-[(1s)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-n-{(1s)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide
+C[C@H](c1ccccc1)Nc2c(ncc(n2)c3cc(ccc3Cl)C(=O)O)N	22Y	3-(5-amino-6-{[(1r)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid
+CCCCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2	22Z	4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O	230	(2r,4r)-n~1~-(4-chlorophenyl)-n~2~-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
+c1ccc(cc1)c2c[nH]cn2	231	4-phenyl-1h-imidazole
+COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)CCCC6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC	232	1,3-di[[[10-methoxy-7h-pyrido[4,3-c]carbazol-2-iumyl]-ethyl]-piperidin-4-yl]-propane
+COC(=O)NCCCCCC(=O)N[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	233	[5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylcarbamoyl)-pentyl]-carbamic acid methyl ester
+COC(=O)c1c(cccc1OC\C=C\c2ccc(c(c2)c3cc(no3)C(=O)O)F)O	234	5-{2-fluoro-5-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)-propenyl]-phenyl}-isoxazole-3-carboxylic acid
+CC(C)[C@H](NS(=O)(=O)c1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	235	(2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-hydroxy{(1r)-2-methyl-1-[(phenylsulfonyl)amino]propyl}phosphoryl]propanoic acid
+CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C	237	(2r,4r)-n~1~-(4-chlorophenyl)-n~2~-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-4-methoxypyrrolidine-1,2-dicarboxamide
+Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)Cl)C(=O)O	238	6-chloro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid
+[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)\N	239	6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-2-naphthamide
+c1cc(c(c(c1)O)O)C=O	23A	2,3-dihydroxybenzaldehyde
+C[C@H]([C@@](C)(C(=O)O)O)O	23B	(2s,3r)-2,3-dihydroxy-2-methylbutanoic acid
+c1ccc2c(c1)cccc2C[C@H](C(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O	23C	2-[(1r)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid
+CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@H]4N	23D	n2-[(1r,2s)-2-aminocyclohexyl]-n6-(3-chlorophenyl)-9-ethyl-9h-purine-2,6-diamine
+c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7	23E	(2e)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid
+c1ccc(cc1)\C=C(\C(=O)O)/N	23F	(2z)-2-amino-3-phenylacrylic acid
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N	23G	guanosine-5'-phosphate-2',3'-cyclic phosphate
+CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(c2ccc(cc2)NC(=O)C)C(=O)Cn3c4ccccc4nn3	23H	n-[4-(acetylamino)phenyl]-2-(1h-benzotriazol-1-yl)-n-[(1r)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1h-pyrrol-2-yl)-2-oxoethyl]acetamide
+CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)O)NC(=O)c1cc(cc(c1)[N@@](C)S(=O)(=O)C)C(=O)N[C@H](C)c2ccccc2	23I	n-[(1s,2s,4r)-2-hydroxy-1-isobutyl-5-({(1s)-1-[(isopropylamino)carbonyl]-2-methylpropyl}amino)-4-methyl-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]isophthalamide
+c1ccc(c(c1)C(=O)C(=O)O)S	23J	oxo(2-sulfanylphenyl)acetic acid
+CC(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)NC(C)(C)C)O)F	23K	1-tert-butyl-3-{(2s,3r)-4-[(4r)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea
+CC(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F	23L	(3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4r)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+[H]/N=C(\c1ccc2c(c1)cc([nH]2)c3cccc(c3)C)/N	23M	2-(3-methylphenyl)-1h-indole-5-carboximidamide
+c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)O	23N	(2r)-2-benzyl-3-nitropropanoic acid
+CCC(=O)NC[C@@H](C(=O)O)N	23P	3-(propanoylamino)-l-alanine
+COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)c4cccc(c4)CF)N	23Q	(2s,3s,11bs)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-amine
+C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O	23R	(1s,2s,3r,5z,7e,14beta,17alpha,23r)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
+c1c[se]c2c1c(c[nH]2)C[C@@H](C(=O)O)N	23S	(s)-2-amino-3-(6h-selenolo[2,3-b]-pyrrol-4-yl)-propionic acid
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	23T	2',3'-dideoxy-thymidine-5'-triphosphate
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cccc(c4)Cl)N	23U	beta-phenyl-d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide
+c1cc(cc(c1)Cl)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	23V	n-({(2e)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+COC(=O)C(=C)CO	23W	methyl 2-(hydroxymethyl)prop-2-enoate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3	23X	n~2~-acetyl-n-[(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-l-isoleucinamide
+c1cc(ccc1/C=C/c2cc(cc3c2[C@@H]([C@H](O3)c4ccc(cc4)O)c5cc(cc(c5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O	23Y	(2s,3s)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(e)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl beta-d-glucopyranoside
+CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)n5cccc5)C(F)(F)F)C1	23Z	(2r)-1-{5-acetyl-3-[3-{[2-oxo-2-(1h-pyrrol-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazo lo[4,3-c]pyridin-1-yl}-3-[4-(1-hydroxy-1-methylethyl)piperidin-1-yl]propan-2-ol
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4ccccc4O[C@@H](C)C(=O)O	240	(2s)-2-(2-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]methyl}phenoxy)propanoic acid
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4cccc(c4)O[C@@H](C)C(=O)O	241	(2s)-2-(3-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]methyl}phenoxy)propanoic acid
+Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F	242	3-(2-aminoquinazolin-6-yl)-4-methyl-n-[3-(trifluoromethyl)phenyl]benzamide
+CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O	243	(9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid
+c1cc(ccc1c2cc3cc(cc(c3o2)CC#N)O)O	244	[5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile
+c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl	245	1-(2-chloropyridin-4-yl)-3-phenylurea
+c1ccc(cc1)CNC(=O)Nc2ccnc(c2)Cl	246	1-benzyl-3-(2-chloropyridin-4-yl)urea
+c1cc(ccc1[C@H](C(C(=O)O)(F)F)N)O	247	(3r)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid
+CCn1cnc2c1nc(nc2Nc3ccc(cc3)[P@](=O)(CP(=O)(O)O)O)C4CCC(CC4)N	24A	{[(4-{[2-(4-aminocyclohexyl)-9-ethyl-9h-purin-6-yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acid
+c1cc(c(cc1F)F)CO	24B	(2,4-difluorophenyl)methanol
+c1cnc(nc1)OC2CCN(CC2)C(=O)NCc3ccc(cc3Cl)Cl	24D	n-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide
+c1ccc2c(c1)C(=O)c3c(c([nH]c3c4cccs4)Cc5ccc(cc5)O)O2	24E	3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2h)-one
+CCOc1ccc(cc1)c2ccc(s2)S(=O)(=O)N[C@H](C3CCN(CC3)C(=O)OC(C)C)C(=O)O	24F	(2r)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid
+CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O	24G	uridine-5'-diphosphate-3-o-(r-3-hydroxymyristoyl)-glucosamine
+c1nc2c(n1C[C@@H](CO)OCP(=O)(O)O)N=C(NC2=O)N	24H	{[(1s)-2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid
+c1cc(ccc1C[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)I	24I	(2s)-2-{[hydroxy(4-iodobenzyl)phosphoryl]methyl}pentanedioic acid
+CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	24K	trans-4-{[2-(butylamino)-5-(pyridin-2-yl)pyrimidin-4-yl]amino}cyclohexanol
+CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCCC(=O)O)OC)O)C)O	24L	4-{4-[({[(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid
+CC(C)C[C@@H]([C@H]([C@@H]1CCC[C@H]1C(=O)O)O)N	24M	(1r,2r)-2-[(1s,2s)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid
+CC(C)C[C@@H]([C@H]([C@@H]1CC(=O)C[C@H]1C(=O)O)O)N	24O	(1r,2r)-2-[(1s,2s)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid
+c1ccc(cc1)Cc2ccc(cc2)OC[C@H]3CCCN3	24P	(2r)-2-[(4-benzylphenoxy)methyl]pyrrolidine
+CS(=O)(=O)NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3cccc(n3)CC4CCCCC4	24Q	6-(cyclohexylmethyl)-n-[4-(methylsulfonylcarbamoyl)-2-(phenylmethyl)phenyl]pyridine-2-carboxamide
+Cn1cc(cn1)c2cnc3c(cnn3c2)c4cc(sc4)C(=O)N[C@H]5CCCC[C@H]5N	24R	n-[(1s,2r)-2-aminocyclohexyl]-4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
+c1ccc(c(c1)/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]	24S	n-({(2z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+Cc1csc(n1)N	24T	2-amino-4-methylthiazole
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC)\N	24U	1-butanoyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	24V	9-cyclopentyl-n-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine
+c1cc2c(c(c1)N)CCNC2	24W	1,2,3,4-tetrahydroisoquinolin-5-amine
+[H]/N=C(/c1ccc(nc1)NCc2cc(ccc2c3ccc(cc3C(=O)O)C(=O)NCC(C)C)C=C)\N	24X	2'-((5-carbamimidoylpyridin-2-ylamino)methyl)-4-(isobutylcarbamoyl)-4'-vinylbiphenyl-2-carboxylic acid
+Cc1cccnc1n2c(nc(n2)c3ccccc3)C4=CNC(=O)C(=C4)Cl	24Y	3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1h-1,2,4-triazol-5-yl]pyridin-2(1h)-one
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCC(=O)O	24Z	4-({4-carbamoyl-2-nitro-5-[(pyridin-3-ylmethyl)amino]phenyl}amino)butanoic acid
+C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O	250	(2r)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
+[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3	251	n-[amino(imino)methyl]-2-(2,5-diphenyl-1h-pyrrol-1-yl)acetamide
+CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O	252	(1-hydroxynonane-1,1-diyl)bis(phosphonic acid)
+Cc1c(ccc2c1nc(c3c2c4cc(c(cc4nc3)OC)OC)N)N	253	10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine
+CC1(CCC(c2c1ccc(c2)/C(=N/O)/c3ccc4cc(ccc4c3)C(=O)O)(C)C)C	254	6-[hydroxyimino-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic acid
+CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(cccc3Nc4ccccn4)nc2	255	n-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
+c1ccc(cc1)[C@H](C(=O)O)S(=O)(=O)O	256	phenyl(sulfo)acetic acid
+c1ccc(cc1)OCCCl	258	(2-chloroethoxy)benzene
+CSc1ccc(cc1)[N+](=O)[O-]	259	1-(methylsulfanyl)-4-nitrobenzene
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N	25A	5'-o-monophosphoryladenylyl(2'->5')adenylyl(2'->5')adenosine
+CCCC[C@@H](CCS(=O)(=O)c1ccccc1)NC(=O)[C@@H]2CCCC[C@H]2C(=O)c3ccc(cc3)Cl	25B	(1r,2r)-2-[(4-chlorophenyl)carbonyl]-n-{(1s)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide
+Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@](C)(C4CCCCC4)C(=O)O)C	25D	2-cyclohexyl-n-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-d-alanine
+c1cc(ccc1/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	25E	n-({(2z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br	25F	2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one
+c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)c5[nH]nnn5	25G	n-[2-benzyl-4-(1h-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide
+c1nc2c(n1CCOCCP(=O)(O)O)N=C(NC2=O)N	25H	{2-[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethoxy]ethyl}phosphonic acid
+Cc1ccc(cc1)CN(C)c2cc(nc3n2ncn3)C	25K	n,5-dimethyl-n-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)O)O)N	25L	[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
+B(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(O)O	25N	(3,5-di-tert-butylphenyl)boronic acid
+Cc1cc(n2c(n1)nc(n2)N)c3ccccc3	25O	5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
+c1cc(ccc1OC[C@@H]2CCC[N@@]2CCCC(=O)[O-])Oc3ccc(cc3)Cl	25P	4-[(2s)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate
+COc1cccc(c1)n2c(c(c3c2nc4ccccc4n3)C(=O)N)N	25Q	2-amino-1-(3-methoxyphenyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide
+Cc1cnc(cn1)C	25R	2,5-dimethylpyrazine
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(c(c6)F)F	25S	(r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide
+Cc1c[nH+]c(s1)N	25T	2-amino-5-methylthiazole
+CCc1c(c(nc(n1)N)N)C#CCc2cccc(c2)c3cncnc3	25U	6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
+Cc1cc(c2ccccc2[n+]1[O-])c3cccc(c3)NC(=O)C	25V	n-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N	25W	(1r,2s,3s,4r,5s)-5-aminocyclohexane-1,2,3,4-tetrol
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CNS(=O)(=O)N	25X	1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane
+B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CNS(=O)(=O)N	25Y	1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane
+c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccc(c3)C(F)(F)F)N	25Z	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone
+c1cc(c(c(c1)F)CBr)F	260	2-(bromomethyl)-1,3-difluorobenzene
+CCOc1ccccc1O	261	2-ethoxyphenol
+c1ccc(c(c1)C=O)OP(=O)(O)O	262	2-formylphenyl dihydrogen phosphate
+Cc1cccc(c1)CN=[N+]=[N-]	263	1-(azidomethyl)-3-methylbenzene
+c1ccc(cc1)NCC#N	264	(phenylamino)acetonitrile
+c1cc(sc1)[N+](=O)[O-]	265	2-nitrothiophene
+CCCSCCO	266	2-(propylsulfanyl)ethanol
+Cc1cccc(c1)CN=[N+]=[N-]	267	1-(azidomethyl)-3-methylbenzene
+c1ccc(cc1)OCCO	268	2-phenoxyethanol
+c1ccc(cc1)[C@@H](CCCl)O	269	(1r)-3-chloro-1-phenylpropan-1-ol
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	26A	6n-dimethyladenosine
+Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)O)C	26B	o-tert-butyl-n-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-l-threonine
+c1cc(c(c(c1)F)c2ccc(cc2)C(=O)O)F	26C	2',6'-difluorobiphenyl-4-carboxylic acid
+c1cc(nc(c1)N)N	26D	pyridine-2,6-diamine
+B123B45B167B289B31B823B966B744B622[C@]45C321CNS(=O)(=O)N	26E	7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane
+COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4cc(nc(n4)OC)OC	26F	(2r)-4-(2,6-dimethoxypyrimidin-4-yl)-n-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
+Cc1ncc(c(n1)N)Cc2cccc(c2)CCO	26G	2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol
+c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C(F)(F)F	26J	2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4h-benzo[e][1,3]thiazin-4-one, bound form
+CN(C)CCNc1ccn2c(n1)c(cn2)c3c[nH]nc3	26K	n,n-dimethyl-n'-[3-(1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
+c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)N[C@@H]5CCCC[C@H]5N	26L	(1r,2r)-n-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine
+c1ccc(cc1)c2ccc(cc2)OCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	26M	n-[(biphenyl-4-yloxy)acetyl]-beta-d-glucopyranosylamine
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)C(F)(F)F	26N	nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-n-pyridin-4-yl-d-tryptophanamide
+c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	26O	n-({(2e)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+C(C[C@@H](C(=O)O)N)CC(=O)C(=O)O	26P	2-amino-6-oxopimelic acid
+c1ccc(cc1)c2ccc(cc2)/C=C/C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	26Q	n-[(2e)-3-(biphenyl-4-yl)prop-2-enoyl]-beta-d-glucopyranosylamine
+C[C@H](Cc1ccc(cc1)C(C)C)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	26R	n-{(2r)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-d-glucopyranosylamine
+CCc1ccc(cc1)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(cc3)OC)c4cc(nc(n4)OC)OC	26S	(2r)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-n-(4-methoxybenzyl)piperazine-2-carboxamide
+CC(=O)[C@H](C(=O)COP(=O)(O)O)O	26T	(3r)-3-hydroxy-2,4-dioxopentyl dihydrogen phosphate
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC(C)C)\N	26U	n-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-l-prolinamide
+c1cc2c(cc1CCCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CCCC2	26V	n-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-beta-d-glucopyranosylamine
+CCc1ccc(cc1)[C@H](C)CC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	26W	n-[(3r)-3-(4-ethylphenyl)butanoyl]-beta-d-glucopyranosylamine
+CC(C)c1ccc(cc1)/C=C/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	26Y	n-{(2e)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-d-glucopyranosylamine
+c1cc(cc(c1)N)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	26Z	4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+C1=CC2=NC(N=C2C=C1)N	270	2h-benzoimidazol-2-ylamine
+CNCc1ccccc1	271	n-methyl-1-phenylmethanamine
+c1cc2c(cc1O)onc2c3ccc(cc3O)O	272	4-(6-hydroxy-benzo[d]isoxazol-3-yl)benzene-1,3-diol
+[H]/N=C(\C1CCCC1)/N	273	cyclopentanecarboximidamide
+Cc1c([nH]c(c1C(=O)N2CCN(CC2)C)C)\C=C/3\c4cc(ccc4NC3=O)S(=O)(=O)N(C)c5cccc(c5)Cl	274	(3z)-n-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-2-yl}methylene)-n-methyl-2-oxoindoline-5-sulfonamide
+Cc1ccc(c[n+]1C)N	275	5-amino-1,2-dimethylpyridinium
+CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)[nH]c(n3)Nc4ccc(c(c4)C(F)(F)F)Cl	276	4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3h-benzimidazol-5-yl]oxy]-n-methyl-pyridine-2-carboxamide
+C[C@@H](C1CCC(CC1)N(C)C(=O)C)[C@@H](C(=O)N2CC[C@@H](C2)F)N	277	n-(trans-4-{(1s,2s)-2-amino-3-[(3s)-3-fluoropyrrolidin-1-yl]-1-methyl-3-oxopropyl}cyclohexyl)-n-methylacetamide
+Cn1cccc1CN	278	1-(1-methyl-1h-pyrrol-2-yl)methanamine
+CCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NOC	279	n-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+CN1CCN(CC1)c2ccccc2C/N=N\C(=S)N	27A	(z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide
+c1ccc2c(c1)ccc(c2Br)C(=O)O	27B	1-bromonaphthalene-2-carboxylic acid
+CCCCO[P@](=O)(O)OC[C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O	27C	5-o-[(s)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-d-arabinofuranose
+Cc1cccc(n1)CC(=O)n2ccc3c2ccc(c3F)c4cn(c5c4c(ncn5)N)C	27D	1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1h-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone
+C1(=O)C2([C@@]3([C@@]4(C1([C@@]5([C@]2(C3(C(C54Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl	27E	chlordecone
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C#N	27F	4-(4-oxo-1,4-dihydroquinazolin-2-yl)benzonitrile
+CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2	27G	benzyl butyl benzene-1,2-dicarboxylate
+CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)OC(=O)c3ccc(cc3)O)(C(C)C)O)C	27H	ferutinine
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N3CCCCCC3)N	27I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide
+C[C@H]1CCC[C@@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O	27J	alpha-zearalanol
+CCCCOC(=O)c1ccc(cc1)O	27K	butyl 4-hydroxybenzoate
+CC(C)(C)CC(C)(C)c1ccc(cc1)O	27L	4-(2,4,4-trimethylpentan-2-yl)phenol
+c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O	27M	bis(2,4-dihydroxyphenyl)methanone
+c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O	27N	4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol
+C[C@H](c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O	27O	(2r)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid
+c1ccc(cc1)Cc2ccc(cc2)OCCN3CCCC3	27P	1-[2-(4-benzylphenoxy)ethyl]pyrrolidine
+CCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	27Q	n-heptyl-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)O	27R	[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid
+CCC(CC)O[C@@H]1CC(=C[C@@]2([C@H]1NC(=O)C)C(=O)N=C(S2)N)C(=O)O	27S	(5r,9r,10s)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)\N	27U	n-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-l-prolinamide
+[H]/N=C/1\NC(=O)[C@]2(S1)C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O	27V	(2e,5s,9r,10s)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid
+CC[C@@H](C)[C@@H]([C@H](CC(C)C)N)O	27W	(3r,4s,5s)-5-amino-3,7-dimethyloctan-4-ol
+CN1c2c(cc(c3c2c(cc(n3)C(=O)OC)C1=O)N)N	27X	ammosamide 272
+C1=C(C(=O)NC=C1Br)O	27Y	5-bromo-3-hydroxypyridin-2(1h)-one
+c1cc(ccc1Nc2nc(c(s2)C(=O)N)N)S(=O)(=O)N	27Z	4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
+Cn1cncc1C=O	280	1-methyl-1h-imidazole-5-carbaldehyde
+CC(C)[C@H](NS(=O)(=O)c1cccc2c1nsn2)[P@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O	281	(2s)-2-[3-(aminomethyl)phenyl]-3-[(s)-{(1r)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid
+COc1cccnc1	282	3-methoxypyridine
+CC#CCOc1ccc(cc1)S(=O)(=O)[N@]2CC[C@@H](C2)S	283	(3s)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol
+C[C@H]1CCNC(=C1)N	284	(4s)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine
+CC1[C@H](O[C@@H](N1)C)C	285	(2r,4r,5r)-2,4,5-trimethyl-1,3-oxazolidine
+C[n+]1ccccc1C=C	286	2-ethenyl-1-methylpyridinium
+Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)C(=O)NOC	287	4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-n-[(1s)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+c1cc2c(cc1Cl)cc([nH]2)C(=O)NCC(N(CCO)C3CCCC3)O	288	5-chloro-1h-indole-2-carboxylic acid{[cyclopentyl-(2-hydroxy-ethyl)-carbamoyl]-methyl}-amide
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O	289	d-glycero-alpha-d-manno-heptopyranose
+COc1cccc(c1)C2=NC(=O)C(=CC2)O	28A	3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5h)-one
+c1cc(cc(c1)C2=CNC(=O)C(=C2)O)C#N	28B	3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile
+Cc1cc(c2nncn2n1)NCCc3ccc(cc3)O	28C	4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol
+COc1cc(cc(c1OC)OC)c2c3cc(ccc3[nH]n2)C=C(C#N)n4cncn4	28D	(2z)-2-(1h-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]prop-2-enenitrile
+c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O	28E	(2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol
+CCNC(=O)Nc1nc2cc(c(nc2s1)OC[C@@H]3CCOC3)c4cncnc4	28F	1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3r)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea
+C=CCNC(=O)Nc1nc2cc(c(nc2s1)OCCN3CCOCC3)c4cccnc4	28G	1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea
+C[C@H]([C@@H](C(C)C)O)C(=O)O	28H	(2r,3r)-3-hydroxy-2,4-dimethylpentanoic acid
+[H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2ccoc2)N3CCCCCC3)N	28I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide
+CC[C@H](C)[C@H](C(=O)O)N	28J	d-alloisoleucine
+C[C@@H]([C@@]1(CO1)/C=C/C(=O)O)O	28K	(2e)-3-{(2s)-2-[(1r)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid
+CC(C)(C)c1cc(c2c(c1OC)cc(cn2)c3ccc(cc3)NS(=O)(=O)C)C4=CCC(=NC4=O)OC	28L	n-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide
+CC(C)(C)c1cc(c2c(c1OC)cc(cn2)N3CC[C@@H](C3)CNS(=O)(=O)C)C4=CC=CNC4=O	28M	n-({(3s)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide
+c1cc2c(cc1Br)N3C(=NOC3=O)CO2	28N	8-bromo-4h-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one
+CC(C)(C)c1cc(ccc1OC)C2=CC=CNC2=O	28O	3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1h)-one
+C[N@@](CCCOc1ccc(cc1)Cc2ccccc2)CCC(=O)O	28P	n-[3-(4-benzylphenoxy)propyl]-n-methyl-beta-alanine
+CC(C)(C)c1cc(cc(c1OC)CCc2ccc(cc2)NS(=O)(=O)C)C3=CC=CNC3=O	28Q	n-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide
+CC(C)(C)c1cc(cc(c1OC)c2nc3cc(ccc3o2)NS(=O)(=O)C)C4=CC=CNC4=O	28R	n-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide
+C=CCNc1c2cc(ccc2ncn1)Br	28S	6-bromo-n-(prop-2-en-1-yl)quinazolin-4-amine
+C1C[C@H](NC1)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O	28T	1-{4-oxo-4-[(2s)-pyrrolidin-2-yl]butanoyl}-l-proline
+CC(=CCCC(=CCC[C@](C)(C=C)O)C)C	28U	(3r,6e)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
+CC(C)(C)c1cc(cc(c1OC)/C=C/c2ccc(cc2)NS(=O)(=O)C)C3=CC=NNC3=O	28V	n-(4-{(e)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide
+CC(C)C[C@@H](C(=O)NO)NC(c1c2ccc(cc2[nH]c1C(=O)NO)Cl)C(=O)NCc3ccccc3	28W	3-[(1r)-2-(benzylamino)-1-{[(2s)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-n-hydroxy-1h-indole-2-carboxamide
+C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)OCC[C@H](CO)O	28X	o-[(r)-{[(3r)-3,4-dihydroxybutyl]oxy}(hydroxy)phosphoryl]-l-threonine
+c1cn-2c(n1)NC(=O)c3c2nc[nH]3	28Y	3h-imidazo[2,1-b]purin-4(5h)-one
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	28Z	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-glutamic acid
+CC1=NC(=O)Nc2c1nc[nH]2	290	6-methyl-3,9-dihydro-2h-purin-2-one
+C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COC(=O)N)O)O)O)O	291	prop-2-en-1-yl 7-o-carbamoyl-l-glycero-alpha-d-manno-heptopyranoside
+c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4	292	n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-(2-naphthyl)acetamide
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)[C@H](CO)O)O)O	293	2-deoxy-beta-l-galacto-heptopyranose
+c1cc(ccc1C(F)(F)F)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)C(=O)NO	294	n-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2h-pyran-4-carboxamide
+c1cc(ccc1[C@@H]([C@@H](C(=O)O)O)O)F	295	(2s,3s)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid
+COc1ccc(cc1)[C@H](C(C(=O)O)(F)F)N	296	(3r)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid
+C(CCCCCCN)CCCCCN	297	dodecane-1,12-diamine
+C\C=C\C=NCCCC/N=C/C=C\C	298	n-[(1e,2z)-but-2-en-1-ylidene]-n'-[(2e)-but-2-en-1-ylidene]butane-1,4-diamine
+Cc1cc(c(c(c1)C=O)OP(=O)(O)O)C=O	299	2,6-diformyl-4-methylphenyl dihydrogen phosphate
+Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO	29A	3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6h)-yl}-n-(2-hydroxyethyl)-4-methylbenzamide
+c1cc(ccc1c2c[nH]nc2c3ccncc3)F	29B	4-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]pyridine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	29C	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	29D	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid
+CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3	29E	(3s)-n-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine
+CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	29F	2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one
+c1c2c(nc(nc2ncn1)N)N	29G	pyrimido[4,5-d]pyrimidine-2,4-diamine
+c1c2c(ncn1)N=C(NC2=O)N	29H	2-aminopyrimido[4,5-d]pyrimidin-4(3h)-one
+CN(C)C[C@@H](c1ccc(cc1)O)C2(CCCCC2)O	29J	4-[(1r)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
+CC(C)C[C@H]1c2c3c4ccccc4n(c3c5c(c2C(=O)N1)c6ccccc6[nH]5)CCCCN	29K	(7s)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
+c1cc\2c(cc1c3cn(nc3c4ccncc4)CCO)CC/C2=N\O	29L	2-{4-[(1e)-1-(hydroxyimino)-2,3-dihydro-1h-inden-5-yl]-3-(pyridin-4-yl)-1h-pyrazol-1-yl}ethanol
+CC(C)c1cc2c(c([nH]c2c(c1)NS(=O)(=O)C)CN(C)Cc3ccccc3)c4ccc(cc4OC)F	29M	n-[2-{[benzyl(methyl)amino]methyl}-3-(4-fluoro-2-methoxyphenyl)-5-(propan-2-yl)-1h-indol-7-yl]methanesulfonamide
+CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC	29N	1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one
+c1c(cc(cc1NC(=O)CBr)NC(=O)CBr)NC(=O)CBr	29O	n,n',n''-benzene-1,3,5-triyltris(2-bromoacetamide)
+Cc1c(c(c([nH]1)C[C@H]2C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	29P	3-[(5s)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]propanoic acid
+c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O	29Q	(5r)-5-(4-chlorophenyl)-2,5-dihydro-3h-imidazo[2,1-a]isoindol-5-ol
+Cn1c[n+](c2c1C(=O)NC(=N2)NCCCCC(=O)O)CCCCC(=O)O	29R	2,9-n,n-di(4-carboxybutyl)-7-n-methylguanine
+Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O	29S	bazedoxifene
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccn4c3cc(c4)C#N	29T	8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC)N)\N	29U	1-[(2r)-2-aminobutanoyl]-n-(4-carbamimidoylbenzyl)-l-prolinamide
+C[C@H]1CC/C(=C\C(=C/C/C=C(\C)/CC(=O)O)\C)/c2c1cccc2	29V	(3e,6z,8e)-3,7-dimethyl-8-[(4s)-4-methyl-3,4-dihydronaphthalen-1(2h)-ylidene]octa-3,6-dienoic acid
+Cc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	29W	(5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)C=NC4=O)F	29X	5-{[(3s,4r)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-1h-isoindol-1-one
+CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5c[nH]nc5	29Y	(1s,2s)-2-{4-[(dimethylamino)methyl]phenyl}-n-[6-(1h-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
+CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5cccnc5	29Z	(1s,2s)-2-{4-[(dimethylamino)methyl]phenyl}-n-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
+CCCC[C@@H](CN[C@@H](CCCC)C(=O)O)N	2A0	n-[(2s)-2-aminohexyl]-l-norleucine
+C[C@@H](CO)N	2A1	(2s)-2-aminopropan-1-ol
+c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCCS	2A2	4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol
+C[C@H](CO)N	2A3	(2r)-2-aminopropan-1-ol
+CC1([C@](O[C@@](O1)(C(=O)Nc2cccc(c2)C(=O)N3CCC(CC3)c4cccc(c4)CN)C(C)(C)O)(C(=O)Nc5cccc(c5)C(=O)N6CCC(CC6)c7cccc(c7)CN)O)C	2A4	(2r,4s)-n,n'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)CCO)N	2A5	2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate)
+c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	2A6	2-anilino-6-cyclohexylmethoxypurine
+COc1cc(cc(c1)O)O	2A7	5-methoxy-benzene-1,3-diol
+c1ccc2c(c1)CCc3cc(ccc3C2=O)Nc4ccccc4N	2A8	2-amino-phenylamino-dibenzosuberone
+COc1ccc(cc1O)CO	2A9	5-(hydroxymethyl)-2-methoxyphenol
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O	2AA	5'-o-{[({[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]oxy}phosphinato)oxy]phosphinato}cyt
+c1cc(ccc1CCN)[S@@](=O)O	2AB	4-(2-aminoethyl)benzenesulfonic acid
+Cc1ccc(c(c1)N)O	2AC	2-amino-p-cresol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)N)N	2AD	2'-amino-2'-deoxyadenosine
+c1ccc(c(c1)C(=O)N)N	2AE	2-amino-benzamide
+c1ccc(c(c1)N)O	2AF	2-aminophenol
+C=CC[C@@H](C(=O)O)N	2AG	(2s)-2-aminopent-4-enoic acid
+CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2ccccn2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC	2AH	{(1s)-1-[n'-[(2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-n'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester
+c1cnc([nH]1)N	2AI	1h-imidazol-2-amine
+C[Si](C)(c1coc2c1cc(cc2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5coc6c5cc(cc6)C(=O)N7CCC(CC7)c8cccc(c8)CN	2AJ	[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
+Cc1cc2c(c(c1)Br)NC(=O)C2=O	2AK	7-bromo-5-methyl-1h-indole-2,3-dione
+C1(=O)C(=NC(=O)N1)NC(=O)N	2AL	1-(2,5-dioxo-2,5-dihydro-1h-imidazol-4-yl)urea
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N	2AM	adenosine-2'-monophosphate
+c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O	2AN	8-anilino-1-naphthalene sulfonate
+CCCC[C@@H](CO)N	2AO	(2s)-2-aminohexan-1-ol
+c1cc[nH+]c(c1)N	2AP	2-aminopyridine
+c1ccc2c(c1)ccc(n2)N	2AQ	quinolin-2-amine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](C3)O)COP(=O)(O)O)N	2AR	2'-deoxyaristeromycin-5'-phosphate
+C[C@H]([C]O)[C@@H](C(=O)(=O)O)N	2AS	(2s,3s)-3-methyl-aspartic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC=C	2AT	2'-o-allyl thymidine-5'-monophosphate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N	2AU	2'-aminouridine
+C[Si](C)(c1cccc2c1cc(s2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5cccc6c5cc(s6)C(=O)N7CCC(CC7)c8cccc(c8)CN	2AV	[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
+C[C@](COC(=O)CCCCC(=O)O)([C@H](C(=O)O)NCCC=O)S(=O)O	2AW	6-({(2r,3s)-3-carboxy-2-methyl-3-[(3-oxopropyl)amino]-2-sulfinopropyl}oxy)-6-oxohexanoic acid
+C[C@H]1CS[C@@H]2[C@H](C[C@H]1C(=O)O)C(=O)c3ccncc3C2=O	2AX	(3r,4r,5ar,11ar)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid
+CC(C)(C)c1cc(cc(c1OC)C2=Cc3ccc(cc3C(=O)O2)NS(=O)(=O)C)C4=CC=CNC4=O	2AY	n-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1h-isochromen-7-yl}methanesulfonamide
+Cc1ccc(cc1)C(=O)N(CCCN)[C@H](C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl	2AZ	n-(3-aminopropyl)-n-[(r)-(3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl]-4-methylbenzamide
+Cc1c(c(c(cn1)CCP(=O)(O)O)C=O)O	2B0	[2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethyl]phosphonic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/c2nc3ccccc3s2)O	2B1	(4-{[(e)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	2B2	4-(2-methyl-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzamide
+CCCS(=O)(=O)NCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	2B3	4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzamide
+c1cc(ccc1OC(C(=O)O)C(=O)O)Br	2B4	2-(4-bromanylphenoxy)propanedioic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)CNC(=O)c3cc4ccccc4o3	2B5	2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1h-indol-1-yl)acetic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/C(=O)c2nc3ccccc3s2)O	2B6	(4-{[(e)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+CC(C)CCN1c2c(nc(s2)NC(=O)NCC=C)C=C(C1=O)c3cccnc3	2B7	1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea
+CCCn1cnc2c1CC[C@@](C2)(CCCN)C(=O)O	2B8	(5r)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1h-benzimidazole-5-carboxylic acid
+CC1=C(/C(=C\N=N\C(=O)c2ccncc2)/C(=CN1)COP(=O)(O)O)O	2B9	[(4z)-5-hydroxy-6-methyl-4-{[(e)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N	2BA	(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9h-purin-9-yl)octahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide
+CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C	2BB	(2s,3r)-n~4~-[(1s)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-n~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
+c1ccc2cc(ccc2c1)C(=O)N/N=C/c3cc(c(c(c3O)Br)O)Br	2BC	n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
+C=C[C@@H](CO)N1C=Nc2c(ncn2[C@H]3CC([C@H](O3)COP(=O)(O)O)O)C1=O	2BD	n1-(1-hydroxy-3-buten-2(s)-yl)-2'-deoxyinosine mono phosphoric acid
+c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Cl	2BE	4-chloro-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
+c1ccc(cc1)CN[C@@H](c2ccccc2)P(=O)(O)O	2BF	alpha-benzyl-aminobenzyl-phosphonic acid
+c1ccc2c(c1)nc(s2)CN	2BG	1-(1,3-benzothiazol-2-yl)methanamine
+[B-](\C=C\CC[C@@H](C(=O)O)N)(O)(O)O	2BH	[(1e,5s)-5-amino-5-carboxypent-1-enyl](trihydroxy)borate(1-)
+Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl	2BI	2,4,5-trichloro-n-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
+Cc1ccc(cc1C)Oc2cccc(c2)NC(=O)c3cc(ccc3C(=O)O)[N+](=O)[O-]	2BJ	2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@H](C)O)C(=O)O)O	2BK	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-allothreonine
+CC[C@H]([C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C(=O)O	2BL	(3r)-3-ethyl-n-[(4-methylphenyl)sulfonyl]-l-aspartic acid
+C(Br)Br	2BM	dibromomethane
+CC1([C@@H]2CC[C@]1(NC2)C)C	2BN	(1r,4s)-2-azabornane
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@@H](C)O)C(=O)O)O	2BO	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-threonine
+c1c2c([nH]cn2)nc(n1)N	2BP	9h-purin-2-amine
+c1cc(ccc1[C@](CN)(CS(=O)(=O)O)O)Cl	2BQ	2-hydroxysaclofen
+c1ccc(c(c1)O)Br	2BR	2-bromophenol
+CCOC(=O)c1ccc2c(c1)sc(n2)N	2BS	ethyl 2-amino-1,3-benzothiazole-6-carboxylate
+CCCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O	2BT	2'-o-butyl-thymidine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC[C@H]([C@H](CO)O)O	2BU	(2s,3s)-n6-(2,3,4-trihydroxybutyl)-2'-deoxyadenosine mono phosphoric acid
+C[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(CC2CCCCC2)O)O	2BV	(r)-(cyclohexylmethyl)[(2s)-3-{[(1s)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid
+CCOC(OCC)P(=O)(CCCN)O	2BW	(s)-(3-aminopropyl)(diethoxymethyl)phosphinic acid
+CC1(CO[C@H](CN1)CC(=O)O)C	2BX	[(2s)-5,5-dimethylmorpholin-2-yl]acetic acid
+c1cc(ccc1[C@H](CN)CP(=O)(O)O)Cl	2BY	phaclofen
+Cc1c-2nc(c3cc(ccc3nc2nn1)[N+](=O)[O-])c4ccccc4Cl	2BZ	5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine
+c1cc(ccc1[C@@H](CC(=O)O)CN)Cl	2C0	baclofen
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br	2C1	n-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
+c1ccc2c(c1)C=C[C@](O2)(C(=O)O)O	2C2	(2s)-2-hydroxy-2h-chromene-2-carboxylic acid
+COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c4cccc(c4)Cl	2C3	n-(5-{[(1r)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
+COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)OC	2C4	methyl 4-chloro-3-{[(2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)carbonyl]amino}benzoate
+Cn1cncc1[C@@H](c2ccc(cc2)C#N)OCc3c(cc(c(n3)Cl)C#N)c4cccc(c4)Cl	2C5	2-chloro-5-(3-chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3h-imidazol-4-yl)- methoxymethyl]-nicotinonitrile
+c1ccc(cc1)c2nnc(o2)C3CCC(CC3)NC(=O)CCSC4=Nc5ccccc5C(=O)N4	2C6	3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-n-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
+c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3	2C7	2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)NC(=O)CCC4=Nc5ccccc5C(=O)N4	2C8	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
+Cc1cccc(c1N)N	2C9	3-methylbenzene-1,2-diamine
+CC(C)C[C@@H](C(=O)N[C@H]1CCC[N@](CC1=O)S(=O)(=O)c2ccccn2)NC(=O)c3cc4ccccc4o3	2CA	benzofuran-2-carboxylic acid {(s)-3-methyl-1-[3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-ylcarbamoyl]butyl}amide
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2ccc(nc2)NCCN3CCN(CC3)C	2CB	6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)pyridine-3-sulfonamide
+c1cc2c(c[nH]c2c(c1)Cl)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5Cl	2CC	3,4-bis(7-chloro-1h-indol-3-yl)-1h-pyrrole-2,5-dicarboxylic acid
+CCN(CC)Cc1cccc(c1)c2cc(c(c(c2)Cl)S(=O)(=O)Nc3c(nn(c3C)C)C)Cl	2CD	3,5-dichloro-3'-[(diethylamino)methyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)biphenyl-4-sulfonamide
+[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)NCCOCCOCC(=O)N)NC(=O)CSc2ccc(cc2)Cl	2CE	n-[2-(2-carbamoylmethoxy-ethoxy)-ethyl]-2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide
+CC(=CCC/C(=C/CC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)/C)C	2CF	(2e,6e)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
+C1([C@H]([C@@H]1C(=O)O)C(=O)O)[C@@H](C(=O)O)N	2CG	(1r,2r)-3-[(s)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
+c1ccc(c(c1)O)Cl	2CH	2-chlorophenol
+c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C(=O)CC4(CCCC4)CC(=O)O	2CJ	(1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid
+c1ccc2c(c1)CCNC2	2CK	1,2,3,4-tetrahydroisoquinoline
+c1cc(c(c(c1)Cl)CC(=O)O)Cl	2CL	(2,6-dichlorophenyl)acetic acid
+Cc1cccc(c1N)Cl	2CM	2-chloro-6-methyl-aniline
+CCCCCCCCOc1cccc(c1)CSc2ccc(cc2C(=O)O)Br	2CN	5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid
+C([C@@H](C(=O)O)N)SOO	2CO	s-hydroperoxycysteine
+C[C@@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O	2CP	2-carboxypropyl-coenzyme a
+Cc1cc(c(cc1Cl)N)N	2CQ	4-chloro-5-methylbenzene-1,2-diamine
+C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)/C#N)O)C)C	2CR	(1r,2r)-2-[(2s,4e,6e,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid
+CC(C)(C)Sc1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)Cl)OCc4ccc5ccccc5n4	2CS	3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1h-indol-2-yl]-2,2-dimethylpropanoic acid
+COc1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)OC	2CT	(2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+Cc1c2c(c(sc2nc(c1Cl)OCC(=O)N3CCN(CC3)C)C(=O)NC4CC4)N	2CU	3-amino-5-chloro-n-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide
+CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O	2CV	hega-10
+C[C@H]([C@@](C)(C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O	2CW	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide
+CS(=O)(=O)N(Cc1ccco1)C[C@H](Cn2c3ccccc3c4c2cccc4)O	2CX	n-[(2s)-3-(9h-carbazol-9-yl)-2-hydroxypropyl]-n-(furan-2-ylmethyl)methanesulfonamide
+c1cc(cc(c1)F)OCCCOc2cccc3c2c(nc(n3)N)N	2CY	5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine
+CC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O	2CZ	n-[(3s,4r,5r,6s)-4,5,6-trihydroxyazepan-3-yl]acetamide
+c1cc2c(c(c1)Cl)nc(s2)N	2D0	4-chloro-1,3-benzothiazol-2-amine
+Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C	2D1	n-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
+Cc1c(cc(o1)c2ccccc2)C(=O)O	2D2	2-methyl-5-phenylfuran-3-carboxylic acid
+Cc1c(c(n[nH]1)c2ccno2)C(=O)OC	2D3	methyl 3-isoxazol-5-yl-5-methyl-1h-pyrazole-4-carboxylate
+c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O	2D4	n-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]thiophene-2-sulfonamide
+c1ccc2c(c1)C[C@@H](NC2)C(=O)NCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	2D5	5'-s-(3-{[(3r)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine
+c1ccc2c(c1)C(=O)NC(=N2)SCCC(=O)NC3CCC(CC3)Oc4ccc(cc4)C#N	2D6	n-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide
+CC(=O)c1ccc(cc1)NC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl	2D7	n-(4-acetylphenyl)-5-(5-chloro-2,4-dihydroxyphenyl)-1h-pyrazole-4-carboxamide
+C[C@@H](CP(=O)([C@@H](C)N)O)C(=O)O	2D8	(2r)-3-[(r)-[(1s)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+CS(=O)(=O)c1ccc(cc1)CN2CCN(CC2)c3cn[nH]c3c4cc(c(cc4O)O)Cl	2D9	4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1h-pyrazol-5-yl)benzene-1,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)COP(=O)(O)O)N	2DA	2',3'-dideoxyadenosine-5'-monophosphate
+[B-](O)(O)(O)OC[C@H](CO)O	2DB	(s)-(2,3-dihydroxypropoxy)trihydroxyborate
+CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O	2DC	(3alpha,8alpha,22r)-cholest-5-ene-3,20,22-triol
+c1cc(ccc1CNC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl)S(=O)(=O)N	2DD	3-(5-chloro-2,4-dihydroxy-phenyl)-1h-pyrazole-4-carboxylic acid 4-sulfamoyl-benzylamide
+CC(=CCC/C(=C/CC/C=C/CO[P@](=O)(O)OP(=O)(O)O)/C)C	2DE	(2e,6e)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
+C1[C@@H]([C@H](O[C@H]1NC=O)COP(=O)(O)O)O	2DF	n-(2-deoxy-beta-d-erytho-pentofuranosyl-5-phosphate) formamide
+C1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O	2DG	2-deoxy-alpha-d-galactopyranose
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3)C(F)(F)F	2DH	[5-methoxy-2-({[4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid
+c1nc2c(n1[C@H]3CC[C@H](O3)CO)N=CNC2=O	2DI	9-[(2r,5r)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6h-purin-6-one
+CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	2DJ	(2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1h-indol-1-yl)acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)N3CCOCC3	2DK	{5-methoxy-2-[(morpholin-4-ylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid
+CCN(CC)C(=O)c1ccc(c(c1)OC)O	2DL	2-methyl-4-diethylamide-phenol
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)COC[C@@H](COP(=O)(O)O)O	2DM	2-hydroxy-3-(pyren-1-ylmethoxy)propyl dihydrogen phosphate
+CC(=O)Nc1nnc(s1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	2DN	[2-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfonyl}carbamoyl)-5-methoxy-1h-indol-1-yl]acetic acid
+CCCC[C@@H](C(O)O)N	2DO	(2s)-2-aminohexane-1,1-diol
+CC(C)CCCC(C)CCCC(C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](CO[P@@](=O)(O)OC)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C	2DP	3-[[3-methylphosphono-glycerolyl]phosphonyl]-[1,2-di[2,6,10,14-tetramethyl-hexadecan-16-yl]glycerol
+COc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	2DQ	(5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid
+C1[C@@H]([C@H](O[C@H]1O)CO)O	2DR	2-deoxy-beta-d-erythro-pentofuranose
+c1cc(c(c(c1)O)O)C(=O)N[C@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O	2DS	n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2r)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-l-serine
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O	2DT	3'-deoxythymidine-5'-monophosphate
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccccc3	2DU	{2-[(benzylsulfonyl)carbamoyl]-5-methoxy-1h-indol-1-yl}acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccc(cc3)C(F)(F)F	2DV	[5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc4ccccc4c3	2DW	{5-methoxy-2-[(naphthalen-2-ylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid
+CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC	2DX	(3s,8ar)-2-[(2s)-2-cyclohexyl-2-{[(2s)-2-(methylamino)butanoyl]amino}acetyl]-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
+CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@@H]3Cc4ccccc4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC	2DY	(3s,10as)-2-[(2s)-2-cyclohexyl-2-{[(2s)-2-(methylamino)butanoyl]amino}acetyl]-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3[N+](=O)[O-])C(F)(F)F	2DZ	[5-methoxy-2-({[2-nitro-4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid
+CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)N3CCNCC3	2E1	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-piperazin-1-yl-1h-pyrazole-3-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)C(=O)O)P(=O)(O)O	2E2	1-{3,5-o-[(4-carboxyphenyl)(phosphono)methylidene]-2-deoxy-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+Cc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C	2E3	(2e)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid
+c1cc(cnc1)COP(=O)(O)OP(=O)(O)O	2E4	pyridin-3-ylmethyl trihydrogen diphosphate
+c1cnccc1COP(=O)(O)OP(=O)(O)O	2E5	pyridin-4-ylmethyl trihydrogen diphosphate
+c1ccnc(c1)COP(=O)(O)OP(=O)(O)O	2E6	pyridin-2-ylmethyl trihydrogen diphosphate
+c1cc(ncc1COP(=O)(O)OP(=O)(O)O)Cl	2E7	(6-chloropyridin-3-yl)methyl trihydrogen diphosphate
+CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N	2E8	3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C=CCc1cc(cc(c1O)CNCCCNC(=O)Nc2ccsc2)Cl	2E9	1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea
+c1ccc2c(c1)C(C=N2)C[C@@H](COc3cc(cnc3)c4ccc5cnccc5c4)N	2EA	(1s)-2-(1h-indol-3-yl)-1-{[(5-isoquinolin-6-ylpyridin-3-yl)oxy]methyl}ethylamine
+c1cscc1NC(=O)NCCCNCc2cc(cc(c2O)I)Cl	2EB	1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea
+CCn1cnc2c1ncnc2N	2EC	9-ethyl-9h-purin-6-ylamine
+CCCCCCCCCCCCC\C=C\[C@H]([C@@H](CO)NC(=O)C)O	2ED	n-[(1r,2r,3e)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide
+C=CCc1cc(cc(c1OCc2ccccc2)CNCCCNC(=O)Nc3ccsc3)Cl	2EE	1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea
+CCOc1c(cc(cc1I)Cl)CNCCCNC(=O)Nc2ccsc2	2EF	1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea
+CCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	2EG	2'-deoxy-n-ethylguanosine 5'-phosphate
+CCCC[C@H](CC)CO	2EH	(2s)-2-ethylhexan-1-ol
+C#Cc1cccc(c1)CNCCCNC(=O)Nc2ccsc2	2EJ	1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea
+c1cscc1NC(=O)NCCCNCc2cc(sc2Cl)Cl	2EK	1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCOCCO	2EL	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3- ol
+Cc1c(c2ccccc2s1)CNCCCNC(=O)Nc3ccsc3	2EM	1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea
+C=CCc1cc(cc(c1OCC=C)CNCCCNC(=O)Nc2ccsc2)Cl	2EN	1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea
+CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)oc5c4CCCC5	2EO	2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-3-yl)acetamide
+CC[C@H]1CCCCN1	2EP	2-ethylpiperidine
+CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)CN4CCOCC4	2EQ	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N\C=N/CC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)N	2ER	[(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[[(z)-[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
+CC1=CC(=O)Oc2c1ccc(c2CN[C@@H](CC(C)C)C(=O)O)O	2ET	n-[(7-hydroxy-4-methyl-2-oxo-2h-chromen-8-yl)methyl]-l-leucine
+c1cc(sc1)S(=O)(=O)N2CCN(CC2)c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O	2EU	1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol
+[H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3Cl	2EV	(3s,4s)-1-[(2-chlorophenyl)sulfonyl]-n-[(2e)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide
+[H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3	2EW	(3s,4s)-n-[(2e)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide
+CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2COCC4)c5cccnc5F)N=C1N	2EX	(4r,4a's,10a's)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'h-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1h)-one
+C[C@H](c1cn(nn1)c2ccc(cc2)Cl)OC3=CC(=O)Nc4c3cccc4	2EY	4-{(1r)-1-[1-(4-chlorophenyl)-1h-1,2,3-triazol-4-yl]ethoxy}quinolin-2(1h)-one
+CCc1[nH]ccn1	2EZ	2-ethylimidazole
+C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N)Cl	2F0	2-chloro-5-{[(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br	2F1	1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
+COC	2F2	dimethyl ether
+Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4cc5ccccc5nc4Cl	2F3	1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid
+CNc1cc(ccn1)c2cccnc2Oc3ccc(cc3)Nc4[nH]c5c(n4)ccc(c5F)F	2F4	2-{4-[(6,7-difluoro-1h-benzimidazol-2-yl)amino]phenoxy}-n-methyl-3,4'-bipyridin-2'-amine
+c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5	2F5	1h-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone
+Cc1c(cn(n1)C)c2cc[nH]n2	2F6	1',3'-dimethyl-1h,1'h-3,4'-bipyrazole
+CC[C@@H](C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F	2F7	n-(4-fluorobenzoyl)-l-alloisoleucyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O	2F8	methyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
+CC(C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F	2F9	n-(4-fluorobenzoyl)-l-valyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N	2FA	2-(6-amino-2-fluoro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+Cc1nc2c(s1)[C@@](N=C2N)(c3ccc(cc3)OC)c4cccc(c4)c5cncnc5	2FB	(6r)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine
+CN1CCN(CC1)C(=O)Nc2ccc3c(c2)[C@@H](CCC3)NC(=O)c4ccccc4	2FC	n-[(8r)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide
+c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)F)N	2FD	5-(6-amino-2-fluoro-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol
+c1cn2cnc3c(c2n1)ncn3[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F	2FE	2'-fluoro-2'-deoxy-1,n6-ethenoadenine
+c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN	2FF	(5-(aminomethyl)-2h-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O	2FG	2-deoxy-2-fluoro-beta-d-galactopyranose
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)c(c8[n+]7c(c6)C(=C8CCC(=O)O)C)c9ccccc9)C)C=C)C(=C3C=C)C	2FH	2-phenylheme
+c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=CNC2=O	2FI	2'-fluoro-2'-deoxyinosine
+C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C(C=CC=C6)C7=[N]4C=CC=C7)[N]8=C9C(=CC=C8)c1c(nc2c3c4c6c(c2n1)C=CC=[N]6[Ru+2]12([N]4=CC=C3)([N]3=C(C=CC=C3)C3=[N]1C=CC=C3)[N]1=C(C=CC=C1)C1=[N]2C=CC=C1)C1=C9[N]5=CC=C1	2FJ	tetrakis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~13~,n~14~)diruthenium(4+) l enantiomer
+[O-]=O	2FK	superoxo ion
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)F)O)O)O	2FL	2-fluoro-2-deoxy-lactose
+C(CSC(F)F)[C@@H](C(=O)O)N	2FM	s-(difluoromethyl)homocysteine
+CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	2FN	n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-d-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide
+C(=CO)C=C(C(=N)C(=O)O)C(=O)O	2FO	(2z,3z)-2-[(2z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid
+C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O	2FP	1,6-fructose diphosphate (linear form)
+Cc1ncc2c(n1)N(C(=O)C(=C2)N)C	2FQ	6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1c2cnc(cc2n(n1)c3cccc(c3)CCC(=O)N)N[C@@H](C)c4ccccc4	2FR	3-[3-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
+c1ccc2c(c1)CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O	2FS	(1s,2r)-2-{[(1s)-1-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
+C(CC(C(=O)O)(F)F)C(=O)O	2FT	2,2-difluoropentanedioic acid
+C(=CC=O)C=O	2FU	but-2-enedial
+c1ccc2c(c1)cc(s2)CC(=O)O	2FX	1-benzothiophen-2-ylacetic acid
+CCC(=O)c1ccc(cc1O)O	2FY	1-(2,4-dihydroxy-phenyl)-propan-1-one
+CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c3ccc(cc3)F)N4CCN(CC4)C5COC5	2FZ	(3r,4s)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2h-chromen-3-yl methylcarbamate
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N)O)O)O	2G0	(2s)-1-[(2s)-6-amino-2-({[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl]acetyl}amino)hexanoyl]-n-[(1s)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide
+Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F	2G1	4-(2-methyl-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzenesulfonamide
+C(CC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)[C@@H](C(=O)O)N	2G2	l-gamma-glutamyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
+CC(C)(C)CCN	2G3	3,3-dimethylbutan-1-amine
+c1ccc(cc1)CCCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	2G4	n-[(s)-hydroxy(4-phenylbutoxy)phosphoryl]-l-glutamic acid
+c1ccc(cc1)C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	2G5	n-[(s)-[(2s)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-l-glutamic acid
+CC(C)C[C@@H](C(=O)NCCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G6	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
+CC(C)C[C@@H](C(=O)NCC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G7	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-(isobutylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
+CCCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G8	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid
+CC[C@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G9	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(((s)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid
+Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC	2GA	2-[(3,5-dimethyl-1h-pyrazol-4-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
+c1ccc(cc1)c2ccc(cc2)COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	2GB	n-[(s)-(biphenyl-4-ylmethoxy)(hydroxy)phosphoryl]-l-glutamic acid
+CC(C)C[C@@H](C(=O)NCCc1ccccc1)NP(=O)(CNC(=O)OCc2ccccc2)O	2GC	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl)phosphonamidic acid
+CNc1cc(nc(n1)N)c2cccc(c2Cl)Cl	2GD	6-(2,3-dichlorophenyl)-n~4~-methylpyrimidine-2,4-diamine
+c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3	2GE	n~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
+C1[C@@H](O[C@@H](C1=O)COP(=O)(O)O)N2C=C(C(=NC2=O)N)Cl	2GF	[(2r,5r)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2h)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate
+CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	2GG	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide
+CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	2GH	n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-pentyl-beta-alaninamide
+CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)C(C)C)c3ccc(cc3)CN4CCOCC4	2GJ	5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
+B(c1c(c2ccccc2s1)/C=C/C(=O)O)(O)O	2GK	(2e)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid
+C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)OC(=O)C	2GL	4-o-acetyl-2,6-dideoxy-beta-d-galactopyranose
+C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C	2GM	dihydroergotamine
+c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)c6n[nH]nn6	2GN	n-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide
+CCC1=C(C2=Cc3c(c(c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(=C(C8=C7C)O)C(=O)OC)C9=[N]6C(=C4)C(=C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C	2GO	[methyl 9-acetyl-14-ethyl-20-hydroxy-4,8,13,18-tetramethyl-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,20,21-tetradehydrophorbine-21-carboxylatato(2-)-kappa~4~n~23~,n~24~,n~25~,n~26~]zinc
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N	2GP	guanosine-2'-monophosphate
+c1ccc2c(c1)C=C(NC2=O)N3CCCC3	2GQ	3-(pyrrolidin-1-yl)isoquinolin-1(2h)-one
+c1ccc(cc1)C(=O)NCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	2GR	n-[(s)-[2-(benzoylamino)ethoxy](hydroxy)phosphoryl]-l-glutamic acid
+CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O	2GS	2-o-methyl-alpha-d-galactopyranose
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC#C	2GT	2'-o-propargyl thymidine-5'-monophosphate
+CC1(CC(=O)Nc2c1ccc(c2)NC(=O)c3cc(ccc3F)c4ccc5c(c4)cnc(n5)N)C	2GU	5-(2-aminoquinazolin-6-yl)-n-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide
+CC1([C@@H](N(C(=O)O1)c2ccc(cc2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C	2GV	(4s)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
+c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O	2GW	5-phenyl-uridine-5'-alpha-d-galactosyl-diphosphate
+c1ccc(cc1)C(c2ccccc2)[C@@H](C(=O)O)N	2GX	beta-phenyl-l-phenylalanine
+CC1([C@@H](N(C(=O)O1)C2CCC(CC2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C	2GY	(4s)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
+CC(C)C[C@@H](C(=O)NCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2GZ	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid
+CC(C)CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2H0	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
+Cc1cc(cc2c1nc(cc2)OCc3ccccc3)c4c5c(ncnc5n(n4)C(C)C)N	2H1	3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)C(=O)NCCC(F)(F)F	2H2	4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-n-(3,3,3-trifluoropropyl)benzamide
+C1(C(C(C(C(C1O)O)O)O)O)O	2H3	(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
+c1cc(c(cc1C[C@H]2c3cc(c(cc3CCN2)O)O)O)O	2H4	(1s)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O	2H5	3-deoxy-3-fluoro-beta-d-galactopyranose
+c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(cc4)F	2H7	4-fluoro-n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide
+CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)N)C(=O)O	2H8	(3s,4r,5r)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+c1ccc(cc1)C(=O)N[C@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	2H9	n-[(s)-[(2r)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-l-glutamic acid
+C(C(=O)CO)O	2HA	dihydroxyacetone
+c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5	2HB	n-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
+c1ccc(c(c1)\C=C\C(=O)O)O	2HC	(2e)-3-(2-hydroxyphenyl)acrylic acid
+CCCCCCCC[P@@H](=O)OC[C@@H](COCCCC)OCCCC	2HD	(2r)-2,3-dibutoxypropyl (r)-octylphosphinate
+C(CP(=O)(O)O)O	2HE	(2-hydroxyethyl)phosphonic acid
+c1c([nH+]c([nH]1)F)C[C@@H](C(=O)O)N	2HF	2-fluoro-l-histidine
+C(CC(=O)O)[C@H](C(=O)O)O	2HG	(2r)-2-hydroxypentanedioic acid
+Cn1c(ccn1)C(=O)Nc2cccnc2	2HH	1-methyl-n-(pyridin-3-yl)-1h-pyrazole-5-carboxamide
+c1cc(ccc1[C@@H]2[C@H](Oc3cc(ccc3C2=O)O)O)O	2HI	(2s,3r)-2,7-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4h-chromen-4-one
+CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3	2HJ	4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-n-(pyridin-3-yl)benzamide
+COc1cc2cc-3c([nH][nH]c3c2cc1OCCN4CCCCC4)c5ccc(cc5)c6ccc(cc6)O	2HK	4'-{6-methoxy-7-[2-(piperidin-1-yl)ethoxy]-1,2-dihydroindeno[1,2-c]pyrazol-3-yl}biphenyl-4-ol
+c1ccc(cc1)C(=O)N2CCC(CC2)Cn3cnc4c3ccc(c4)C(=O)Nc5cccnc5	2HL	1-[(1-benzoylpiperidin-4-yl)methyl]-n-(pyridin-3-yl)-1h-benzimidazole-5-carboxamide
+CC(C)C[C@H](CC(=O)NO)C(=O)O	2HM	(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid
+C1[C@H]([C@@H](C(=O)[C@H]([C@]1(C(=O)O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O	2HN	(1r,2s,4s,5r)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
+c1cc(c(cc1C(=O)N)F)F	2HO	3,4-difluorobenzamide
+OP(=O)(O)[O-]	2HP	dihydrogenphosphate ion
+c1cc2c(cc1Cl)C(=O)C(=O)N2	2HQ	5-chloro-1h-indole-2,3-dione
+CCCCCC[P@@](=O)(O)OC[C@H](C)Cc1ccccc1	2HR	hexylphosphonic acid (r)-2-methyl-3-phenylpropyl ester
+CCCCCC[P@@](=O)(O)OC[C@@H](C)Cc1ccccc1	2HS	hexylphosphonic acid (s)-2-methyl-3-phenylpropyl ester
+Cc1cccc(c1)C#N	2HT	3-methylbenzonitrile
+c1cc2c(cc[nH]2)cc1[N+](=O)[O-]	2HU	5-nitro-1h-indole
+CC(=O)Nc1nc(cs1)C(=O)Nc2ccccc2N3CCCCC3	2HV	2-(acetylamino)-n-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
+c1cncc(c1N2CCC[C@@H](C2)N)NC(=O)c3c(nccn3)N	2HW	3-amino-n-{4-[(3s)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide
+C[C@H]1CN(C[C@H]([C@@H]1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	2HX	n-{4-[(3r,4r,5s)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
+CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3)C#N)C(=O)OCCO	2HY	2-hydroxyethyl (4r)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
+c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])/C=C\C(=O)O	2HZ	(2z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)I)N	2IA	2'-deoxy-2'-iodoadenosine 5'-(dihydrogen phosphate)
+Cc1ccccc1I	2IB	2-iodobenzyl group
+CN1C(=O)N(C(=O)[C@]12C[N@](C[C@H]2c3ccc(cc3)C#N)Cc4cc(cs4)C(=O)O)c5cc(cc(c5)Cl)Cl	2IC	5-[(5s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid
+CNc1c2c(nc(n1)I)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)O)OP(=O)(O)O	2ID	[(1r,2s,4s,5s)-4-[2-iodo-6-(methylamino)-9h-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
+CCC(=O)N1CCC[C@@H](C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N	2IE	2-(4-phenoxyphenoxy)-5-[(3r)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide
+c1cc(cc(c1)C(=O)NCCCC(=O)NCCC[C@H](C(=O)NO)NS(=O)(=O)c2ccc(cc2)OCc3cc(cc(c3)Br)Br)C(=O)NCCCC(=O)NCCC[C@H](C(=O)NO)NS(=O)(=O)c4ccc(cc4)OCc5cc(cc(c5)Br)Br	2IF	~{n}1,~{n}3-bis[4-[[(4~{r})-4-[[4-[[3,5-bis(bromanyl)phenyl]methoxy]phenyl]sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]amino]-4-oxidanylidene-butyl]benzene-1,3-dicarboxamide
+CCc1c(c(nc(n1)N)N)c2ccc3c4ccccc4n(c3c2)CCCOC	2IG	6-ethyl-5-[9-(3-methoxypropyl)-9h-carbazol-2-yl]pyrimidine-2,4-diamine
+c1cn(cn1)CCCCCCn2ccnc2	2IH	1,1'-hexane-1,6-diylbis(1h-imidazole)
+[H]/N=C\N1CCC[C@H](C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N	2IJ	5-{(3s)-1-[(z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
+Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N	2IK	6-[(2s)-2-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethyl]-4-methylpyridin-2-amine
+CCCCCCCCCCC[C@H](CC(=O)O)OC(=O)CCCCCCCCCCC	2IL	(3r)-3-(dodecanoyloxy)tetradecanoic acid
+C1CCNC(=N)C1	2IM	piperidin-2-imine
+c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N	2IN	n-(benzylsulfonyl)seryl-n~1~-{4-[amino(imino)methyl]benzyl}glycinamide
+CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C	2IO	(3s,6s)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
+[C@@H]1([C@H](C([C@@H]([C@H](C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O	2IP	d-myo-inositol-1,4-bisphosphate
+Cc1ccc(cc1Oc2nccc(n2)c3c(ncn3[C@@H]4CCN(C4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C(C)C	2IR	n,n-dimethyl-2-[(3r)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
+[H]/N=C(/CCC(=O)O)\C(=O)O	2IT	(2z)-2-iminopentanedioic acid
+Cc1ccnc2c1cccc2NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6	2IW	4-[(3ar,4s,7r,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(4-methylquinolin-8-yl)benzamide
+CN(CC(=O)N1CCN(CC1)c2nc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)F)N)C(=O)C5CCN(CC5)C(=O)C=C	2IX	n-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-n-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide
+Cc1cccc2c1nc3c(n2)C4=CC=C[N]5=C4C6=C3C=CC=[N]6[Ru+2]578([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81	2J0	(10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+)
+c1c2c(cc(c1Cl)C(=O)O)[nH]c3c2CCCC3	2J1	6-chloro-2,3,4,9-tetrahydro-1h-carbazole-7-carboxylic acid
+c1cc2c(cc1Cl)c3c([nH]2)[C@@H](CCC3)C(=O)O	2J2	(1r)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1-carboxylic acid
+C[C@H](CO)OC[C@@H](C)OC[C@@H](C)O	2J3	(2r)-2-{[(2r)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
+C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)SC(=N2)N)O)O)O	2J4	(3ar,5r,6s,7r,7ar)-2-amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+Cc1cccnc1NCc2ccccc2O	2J5	2-{[(3-methylpyridin-2-yl)amino]methyl}phenol
+c1cc(c(nc1)NCc2ccc(cc2O)F)c3ncccn3	2J6	5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol
+c1ccc(c(c1)CNc2cc(ncn2)NCc3ccccc3O)O	2J7	2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol
+CC(C)[C@H]1c2nc(c[se]2)C(=O)N[C@H](c3nc(c[se]3)C(=O)N[C@H](c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C	2J8	(4s,11s,18s)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
+c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3	2J9	4-cyclopropyl-7-fluoro-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+C/C(=C\CCP(=O)(O)OP(=O)(O)O)/CO	2JA	[(e)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid
+CCNCC(=O)O	2JC	n-ethylglycine
+CC(C)(COP(=O)(O)O)[C@H](C(=O)O)O	2JD	(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoic acid
+c1c(nc[nH]1)C(=O)SCCN	2JE	s-(2-aminoethyl) 1h-imidazole-4-carbothioate
+CC(C)C[C@@H](C(=O)NCCCC(=O)OC[C@@H](C=O)N)O	2JF	(2s)-2-amino-3-oxopropyl 4-{[(2s)-2-hydroxy-4-methylpentanoyl]amino}butanoate
+CCCCCC(=O)OC[C@@H](C=O)N	2JG	(2s)-2-amino-3-oxopropyl hexanoate
+C1CC(C1)C[C@@H](C(=O)O)N	2JH	3-cyclobutyl-l-alanine
+CCc1ccc2c(c1)c(c([nH]2)C)CC(=O)O	2JI	(5-ethyl-2-methyl-1h-indol-3-yl)acetic acid
+C(C[C@H](C(=O)O)N)CP(=O)(O)O	2JJ	5-phosphono-d-norvaline
+Cc1cc(c2c(c1)nc(cc2O)C(=O)O)C	2JK	4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid
+c1ccc2c(c1)ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O	2JL	(2s,3r)-1-(phenanthren-2-ylcarbonyl)piperazine-2,3-dicarboxylic acid
+c1cc(c(c(c1)Br)O)c2c(c(c([nH]2)Br)Br)Br	2JM	2-bromo-6-(3,4,5-tribromo-1h-pyrrol-2-yl)phenol
+CCCC[C@](C)(C(=O)O)N	2JN	2-methyl-d-norleucine
+c1ccc2cnc(cc2c1)NC(=O)CCC(=O)O	2JP	4-(isoquinolin-3-ylamino)-4-oxobutanoic acid
+Cc1cccc(n1)NC(=O)c2ccc(cc2C(=O)O)C(F)(F)F	2JQ	2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid
+c1cc2c(cc[nH]2)cc1c3ncc(s3)C4(CCCCC4)N5CCCC5	2JR	5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole
+CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO	2JT	1,3-dihydroxypropan-2-yl octadecanoate
+c1ccc2c(c1)cccc2CNC(=O)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	2JU	2'-deoxy-5-[(naphthalen-1-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
+c1cc2ccc(c3c2c4c1ccc(c4cc3)N)NC5=Nc6c(ncn6[C@H]7C[C@@H]([C@H](O7)COP(O)(O)O)O)C(=O)N5	2JV	n-(8-aminopyren-1-yl)-2'-deoxy-5'-o-(trihydroxy-lambda~5~-phosphanyl)guanosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)[N+](=O)[O-])P(=O)(O)O	2JW	1-{2-deoxy-3,5-o-[(4-nitrophenyl)(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)OC[C@H](O2)C3=NNC(=S)N3	2JX	5-[(2r)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione
+c1cc(c(c(c1)Cl)Cl)OCc2ccc(o2)C(=O)O	2JY	5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid
+COc1ccc(cc1OC)Nc2nc(nc(n2)Nc3ccc4c(c3)cccn4)NCCc5ccccc5F	2JZ	n~2~-(3,4-dimethoxyphenyl)-n~4~-[2-(2-fluorophenyl)ethyl]-n~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
+c1cc(c(cc1CO)C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl	2K0	[2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl}methanone
+Cc1ccc(o1)C(=O)O	2K1	5-methylfuran-2-carboxylic acid
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC	2K2	pkc412
+CC(C)CC(=O)CC(=O)O	2K3	3-oxo-5-methylhexanoic acid
+c1cc2cn[nH]c2cc1O	2K4	1h-indazol-6-ol
+Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4cc(cc(c4)OC)OC	2K5	n~4~-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl}-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
+CC(=O)C[C@@H](CC#N)c1ccc(cc1)OC	2K6	(3r)-3-(4-methoxyphenyl)-5-oxohexanenitrile
+Cc1cc(on1)CNc2nccc(n2)Nc3cc(n[nH]3)CCc4ccc(c(c4)OC)OC	2K7	n~4~-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
+C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O	2K8	(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid
+c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5	2K9	9-phenyl-4h-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one
+c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O	2KA	2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCCCC#N)O)C	2KB	4-{[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}butanenitrile
+CC1(CCN(CC1)Cc2ccn3c2c(ncn3)Nc4cc(cc(c4)Br)O)N	2KC	3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol
+COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)c2cc(c3cc(ccc3n2)c4cccc(c4)Cl)C(=O)O	2KD	6-(3-chlorophenyl)-2-{[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2cccc(c2)S(=O)(=O)N)Nc3ccc4c(c3)ccnc4N	2KE	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2ccccc2S(=O)(=O)C(C)C)Nc3ccc4c(c3)ccnc4N	2KF	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-[2-(propan-2-ylsulfonyl)benzyl]ethanamide
+CC1([C@@H](N(C1=O)c2cccc(c2)S(=O)(=O)C)c3ccccc3OC)C	2KG	(4s)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O	2KH	5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOCC	2KJ	n~5~-(n-ethoxycarbamimidoyl)-l-ornithine
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)F	2KK	n~6~-(4-fluorobenzoyl)-l-lysine
+CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN4CCCC4	2KL	2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide
+CCNC(=O)c1cc(cc(c1)C(=O)NCC)C(=O)NCC	2KN	n,n',n''-triethylbenzene-1,3,5-tricarboxamide
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCOCCn5cc(nn5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC	2KO	2-{2-[2-(2-{4-[(alpha-d-mannopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)Br	2KP	n~6~-(4-bromobenzoyl)-l-lysine
+C[C@](CC(=O)O)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	2KQ	 (3s)-3-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxidanyl-butanoic acid
+Cc1ccc(nc1)Nc2ccc(cc2)n3c4c(cccn4)nc3OC	2KR	n-[4-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine
+c1ccc(cc1)/C=C/COC2CCC(CC2)(CN)c3ccccc3	2KS	1-(cis-1-phenyl-4-{[(2e)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine
+CCC(=O)C(=O)O	2KT	2-ketobutyric acid
+COCCCNc1c2c([nH]cn2)ncn1	2KU	n-(3-methoxypropyl)-9h-purin-6-amine
+c1cc(cc(c1)Cl)C2(CCC(CC2)N3CCCCC3=O)CN	2KV	1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one
+CN1C(=NNC1=O)CN2C=CC(=C(C2=O)Oc3cc(cc(c3)Cl)C#N)C(F)(F)F	2KW	3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile
+c1ccc2c(c1)cc(c(n2)CCCCC[C@@H]3CCC[C@H]3OC(=O)O)O	2KX	(1r,2r)-2-[5-(3-hydroxyquinolin-2-yl)pentyl]cyclopentyl hydrogen carbonate
+C1CCC(C1)[C@@H](C(=O)O)N	2KY	(2s)-amino(cyclopentyl)ethanoic acid
+C(=C(\C(=O)O)/N)\C(=O)O	2KZ	2-amino maleic acid
+C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O	2L0	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-leucinamide
+Cc1c([nH]cn1)CN2CCc3ccccc3C2	2L1	2-[(4-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
+Cc1c([nH]cn1)CN2CCc3cccc(c3C2)N	2L2	2-[(4-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+C[C@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O	2L3	(2r)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
+C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)/N=C/C=O	2L4	1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
+c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl	2L5	2-chloro-l-phenylalanine
+C1C[C@]2(C=C[C@@H]3CC[C@H](N3C2=O)C(=O)O)NC1	2L6	(3s,6r,8as)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
+CC(C)(C(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N)Br	2L7	4-[(2-bromo-2-methylpropanoyl)amino]-l-phenylalanine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)Cn3cc(nn3)CO[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O	2L8	[(2r,3s,5r)-3-[(1-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate 
+C1CN[C@H]2[C@H]1C=C[C@H]3C=C[C@H](N3C2=O)C(=O)O	2L9	(3ar,5as,8s,10as)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid
+c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N)CN	2LA	2-amino-5-(aminomethyl)-7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C[C@@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O	2LB	(2s)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc(c(c(c3)F)C(=O)N)N[C@H]4CCOC4	2LC	2-fluoro-6-[(3s)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide
+c1ccc(cc1)CCC2=CNC(=O)C(=C2)O	2LD	3-hydroxy-5-(2-phenylethyl)pyridin-2(1h)-one
+CCCCC[C@H]1CC[C@@H](O1)O	2LE	(2r,5s)-5-pentyltetrahydrofuran-2-ol
+C1[C@@H]([C@H]2[C@H](c3nc4c(n3[C@@H]1O2)N=C(NC4=O)N)OP(=O)(O)O)O	2LF	(6s,7s,8s,10r)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4h-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate
+CCN(CC)S(=O)(=O)c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCC3)C#N)Cl	2LG	2-chloro-n-(3-cyano-5,6-dihydro-4h-cyclopenta[b]thiophen-2-yl)-5-diethylsulfamoyl-benzamide
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@]2(CCc3c(cn[nH]3)C2)c4cccc(c4)C(C)(C)C)O	2LI	n-[(1s,2r)-3-{[(5s)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1h-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
+CC/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O	2LJ	1-deoxy-1-({2,6-dioxo-5-[(e)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
+Cc1c(c(on1)C)c2ccc3c(c2)ncn3Cc4ccc(cc4)Cl	2LK	1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1h-benzimidazole
+Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5	2LL	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1h-benzimidazole
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CCSC)/C(=O)O)O	2LM	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-4-(methylsulfanyl)butanoic acid
+CCC(=O)N1CCOc2c(cc(cc2OC[C@@H]3CCCN(C3)C)c4ccc(c(c4)OC)OC)C1	2LN	1-[7-(3,4-dimethoxyphenyl)-9-{[(3r)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5h)-yl]propan-1-one
+Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C[C@H](C)N4CCOCC4)CCc5ccc(c(c5)Cl)OC	2LO	2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2s)-2-(morpholin-4-yl)propyl]-1h-benzimidazole
+C=CCc1ccccc1O	2LP	2-allylphenol
+c1cc(ccc1C[C@@H](C(=O)O)N)NC(=O)[C@@H]2CCC/C=C/CC2	2LQ	4-{[(1r,4e)-cyclooct-4-en-1-ylcarbonyl]amino}-l-phenylalanine
+CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	2LR	n-[(benzyloxy)carbonyl]-l-leucyl-n-{(1r,2s)-1-hydroxy-4-methyl-1-[(2r)-2-methyloxiran-2-yl]pentan-2-yl}-l-leucinamide
+CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)N	2LS	(1r,2s)-2-amino-4-methyl-1-[(2r)-2-methyloxiran-2-yl]pentan-1-ol
+c1c(cc(c(c1Cl)O)Cl)C[C@@H](C(=O)O)N	2LT	3,5-dichloro-l-tyrosine
+CC(C)C[C@@H](C)N	2LU	2-amino-4-methyl-pentanyl group
+CC(C)C[C@@H]([C@@H](C(=O)Nc1ccccc1)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	2LV	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s,3s)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-l-leucinamide
+CC(=O)N1CCc2c(c3cc(ccc3[nH]2)Cl)C1	2LW	1-(8-chloro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)ethanone
+CNC(=O)c1ccccc1OC2CCOCC2	2LX	n-methyl-2-(tetrahydro-2h-pyran-4-yloxy)benzamide
+CNC(=O)c1c2c(cs1)OCCO2	2LY	n-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
+c1cc2c(cc1F)c(c[nH]2)CC(=O)O	2LZ	(5-fluoro-1h-indol-3-yl)acetic acid
+CC(C)C[C@@H](CCS(=O)(=O)C)N	2M0	(3s)-5-methyl-1-(methylsulfonyl)hexan-3-amine
+CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	2M1	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(3s)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-l-leucinamide
+Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4	2M2	n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-n~4~-[5-(2-phenylethyl)-1h-pyrazol-3-yl]pyrimidine-2,4-diamine
+Cc1c(c2cccnc2[nH]1)[C@@H]3CCN(C3)C(=O)C4(CC4)c5ccccn5	2M3	2-methyl-3-{(3s)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1h-pyrrolo[2,3-b]pyridine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	2M4	2-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose
+C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O)O	2M5	methyl 7-deoxy-l-glycero-alpha-d-manno-heptopyranoside
+C[C@H]1[C@H]([C@H]([C@@H](N1)C#Cc2ccccc2)O)O	2M7	(2s,3r,4s,5s)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O	2M8	(2r)-3-hydroxy-2-(alpha-d-mannopyranosyloxy)propanoic acid
+COc1cc(c2ccc3c(cc(c4c3c2c1cc4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	2M9	8-methoxypyrene-1,3,6-trisulfonic acid
+CC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=N)N1	2MA	2-methyladenosine-5'-monophosphate
+CC=C(C)C	2MB	2-methyl but-2-ene
+CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	2MC	methacrylyl-coenzyme a
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@@H]([C@@H]([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N	2MD	guanylate-o'-phosphoric acid mono-(2-amino-5,6-dimercapto-4-oxo-3,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester
+CCOC	2ME	methoxyethane
+CNC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1	2MG	2n-methylguanosine-5'-monophosphate
+CC1CCC(CC1)N	2MH	cis-4-methylcyclohexanamine
+Cc1cc2ccccc2[nH]1	2MI	2-methyl-1h-indole
+CC(C)C[C@@H]([C@H](CO)O)N	2MJ	(2r,3s)-3-amino-5-methylhexane-1,2-diol
+CC(C)C[C@@H]([C@H](CO)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	2MK	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2r,3s)-1,2-dihydroxy-5-methylhexan-3-yl]-l-leucinamide
+CC(C)C[C@@](C)(C(=O)O)N	2ML	2-methylleucine
+CN(C)[C@@H](CCSC)C(=O)O	2MM	n,n-dimethyl-l-methionine
+Cc1ncc(n1CCO)[N+](=O)[O-]	2MN	metronidazole
+O=[Mo]=O	2MO	molybdenum (iv)oxide
+Cc1ccc(cc1C)O	2MP	3,4-dimethylphenol
+CNc1[nH]c2c(n1)cc3c(c2CCN)N=C(NC3=O)N	2MQ	6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CN/C(=N/C)/NCCC[C@@H](C(=O)O)N	2MR	n3, n4-dimethylarginine
+CC1(N[C@@H](CS1)C(=O)O)C	2MT	(4r)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	2MU	2',5-dimethyluridine-5'-monophosphate
+C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O	2MV	(1s,2s,3r,5z,7e,14beta,17alpha)-17-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol
+CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)c4ccc(cc4)N(C)Cc5cnc6c(n5)c(nc(n6)N)N)C(=O)O	2MX	(2s,2's)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name)
+Cc1cccc(c1O)C	2MY	2,6-dimethylphenol
+Cc1[nH]ccn1	2MZ	2-methylimidazole
+CCc1cc2c(n1Cc3ccccc3)CCCC2=O	2N0	1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4h-indol-4-one
+c1cc(c(cc1NC(=S)NCCCCCC=O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O	2N2	2-(3,6-dihydroxy-9h-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid
+CC(C)Oc1cc2c(cc1NS(=O)(=O)C)oc(c2C(=O)NC)c3ccc(cc3)F	2N5	2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide
+Cc1ccc(c(c1)C)c2c3c(c[nH]c3nc(n2)SC)C#N	2N6	4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]34C[C@H]3c5cc(ccc5-c6c(c7ccc(cc7n6C4)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8)OC	2N7	(1ar,12bs)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1r,5s)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide
+CS(=O)(=O)c1ccc(cc1Cl)[C@@H](C[C@H]2CCC(=O)C2)C(=O)Nc3cnccn3	2N8	(2r)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1r)-3-oxocyclopentyl]-n-(pyrazin-2-yl)propanamide
+CCOC(=O)c1cnc2ccccc2c1N	2N9	ethyl 4-aminoquinoline-3-carboxylate
+c1ccc2cc(ccc2c1)CO	2NA	naphthalen-2-ylmethanol
+c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])N	2NB	3-nitroquinolin-4-amine
+CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C	2NC	n-{(2s)-2-[(n-acetyl-l-threonyl-l-isoleucyl)amino]hexyl}-l-norleucyl-l-glutaminyl-n~5~-[amino(iminio)methyl]-l-ornithinamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC2=O	2ND	2'-deoxyinosine
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O	2NE	salicylyl coa
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)F)C(=O)N	2NF	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate
+Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O	2NG	4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)NC(=O)C	2NH	n-acetyl-s-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]-l-cysteinyl-d-valyl-l-isoleucyl-l-methionine
+CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO	2NI	n-{2-[(4'-cyano-1,1'-biphenyl-4-yl)oxy]ethyl}-n'-hydroxy-n-methylurea
+CN1c2ccccc2N[C@@H](CC1=O)c3ccccc3	2NJ	(4s)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+CN1CCN(CC1)c2ccc(cc2)c3ccncc3c4cc(c(c(c4)F)O)F	2NK	2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol
+CNC(=O)COc1cccc(c1)Nc2cc(ccn2)Cl	2NL	2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-n-methylacetamide
+COc1cccc(c1)c2cc([nH]n2)C(F)(F)F	2NM	3-(3-methoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole
+N(=O)[O]	2NO	nitrogen dioxide
+C=C(CCC[C@@H](C(=O)O)N)C(=O)O	2NP	l-2-amino-6-methylene-pimelic acid
+c1cc(ccc1F)S(=O)(=O)Nc2cc(cnc2Cl)c3ccc4c(c3)c(ccn4)N5CCOCC5	2NQ	n-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide
+COc1cccc(c1c2cccc3c2oc(n3)Nc4cc(c(c(c4)OC)OC)OC)F	2NR	7-(2-fluoro-6-methoxyphenyl)-n-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
+COc1cc(cc(c1OC)OC)Nc2nc3cccc(c3o2)c4cccc5c4[nH]cn5	2NS	7-(1h-benzimidazol-7-yl)-n-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCONCO	2NT	2'-o-[2-[hydroxy(methyleneamino)oxy]ethyl thymidine-5'-monophosphate
+CN(C1CC1)C(=O)Cn2cc(cn2)Br	2NU	2-(4-bromanylpyrazol-1-yl)-~{n}-cyclopropyl-~{n}-methyl-ethanamide
+CCOCCOCCOCCOCCOC[C@@H](C)N	2NV	3,6,9,12,15-pentaoxaoctadecan-17-amine
+c1ccc2c(c1)c(c(cn2)Br)N	2NW	3-bromoquinolin-4-amine
+COP(=O)(NC(=O)c1ccccc1)OC	2NX	dimethyl benzoylphosphoramidate
+CCN(CC)c1nc2ccccc2c(n1)N	2NY	n~2~,n~2~-diethylquinazoline-2,4-diamine
+CC(=O)Cn1cnc2c1cccc2	2NZ	1-(1h-benzimidazol-1-yl)propan-2-one
+c1ccc2c(c1)ncn2CCC(=O)N	2O0	3-(1h-benzimidazol-1-yl)propanamide
+c1ccc2c(c1)c3c(cn2)C(=O)CCN3	2O1	2,3-dihydrobenzo[h][1,6]naphthyridin-4(1h)-one
+c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/P(=O)(O)O)P(=O)(O)O	2O2	1-{2-deoxy-3,5-o-[phenyl(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-[(e)-2-phosphonoethenyl]pyrimidine-2,4(1h,3h)-dione
+C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cccc4	2O3	(3r)-n-[3-(3,4-dihydroquinolin-1(2h)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
+C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC	2O4	(3r)-n-[3-(7-methoxy-3,4-dihydroquinolin-1(2h)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
+c1cc(cc(c1)Cl)c2nc(nc(n2)Nc3ccc(cc3)CC(=O)O)C4CC4	2O5	(4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid
+c1cc2c(cc1C(F)(F)F)c(no2)N	2O6	5-(trifluoromethyl)-1,2-benzoxazol-3-amine
+c1cc(ccc1C[C@]23CCCN2C(=O)C(=C3C#N)c4cc(cc(c4)Cl)Cl)C#N	2O7	7a-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1h-pyrrolo[1,2-a]pyrrole-7-carbonitrile
+c1cc(ccc1C(=O)N)SC(F)(F)F	2O8	4-[(trifluoromethyl)sulfanyl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N	2OA	2'deoxyadenosine-5'-triphosphate
+CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C	2OB	cholesteryl oleate
+COc1cc2c(cc1OCCCN3CCCC3)N=C(C24CCC4)N	2OD	5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine
+Cc1cc(cc(n1)c2ccccc2)Oc3cccc(c3)O	2OE	3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol
+[OH2][Fe+2][OH2]	2OF	ferrous ion, 2 waters coordinated
+C(CC(=O)O)C(=O)C(=O)O	2OG	2-oxo-glutaric acid
+CC(C)(c1ccc(cc1)O)c2ccc(cc2)O	2OH	4,4'-propane-2,2-diyldiphenol
+CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	2OJ	n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide
+Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC	2OK	4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
+COCCNc1nc2ccc(cc2n1c3ccnc(n3)N)C#CC4(CCCCC4)O	2OL	1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1h-benzimidazol-6-yl}ethynyl)cyclohexanol
+C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O	2OM	5,6-dihydroorotidine 5'-monophosphate
+c1[nH]c2c(n1)C(=O)NC(=N2)S	2ON	2-sulfanyl-1,9-dihydro-6h-purin-6-one
+CCNc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC(C)(C)O	2OO	4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1h-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol
+C[C@@H](C(=O)O)O	2OP	(2s)-2-hydroxypropanoic acid
+Cc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC4(CCCCC4)O	2OQ	1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1h-benzimidazol-6-yl]ethynyl}cyclohexanol
+C([C@H]([C@@H]([C@@H](C(=O)O)N)O)O)NC(=[NH2+])N	2OR	amino{[(2r,3r,4s)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium
+CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)CO)O	2OS	3-n-octanoylsucrose
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON(C)C	2OT	2'-o-[2-(n,n-dimethylaminooxy)ethyl] thymidine-5'-monophosphate
+c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	2OU	(2-{[(1s,2r,3r,4r,5s,6s)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid
+c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OCc3ccccc3)OP(=O)(O)O)OP(=O)(O)O	2OV	(1r,2r,3r,4s,5s,6s)-3,6-bis(benzyloxy)cyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)]
+Cc1ccc(cn1)NC(=O)Nc2cccc(c2F)CN3CCN(CC3)C(=O)OC	2OW	methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate
+C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)c3ccccc3)O)O	2OX	(2s,3r,4s,5s)-2-methyl-5-(1-phenyl-1h-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol
+Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)[C@@H](CCl)O	2OY	n-[(2s,3s)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (bound form)
+c1cc(ccc1NC(=S)N2C[C@@H]([C@H]([C@H]([C@H]2CO)O)O)O)F	2OZ	(2r,3s,4r,5s)-n-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide
+C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O	2P0	1-({[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-l-proline
+c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3)C(F)(F)F	2P1	n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2h-pyrazolo[3,4-b]pyridine-5-carboxamide
+CC(C)(C)[C@H]1CC[C@H](N1C(=O)CCCc2ccccc2)C(=O)N3CCC[C@H]3[C@H](CO)O	2P2	1-[(2r,5s)-2-tert-butyl-5-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
+c1ccc2c(c1)OC[C@@H](O2)C3=NNC(=S)N3	2P3	5-[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione
+c1ccc(cc1)CNC(=O)C2=CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O	2P4	(5r)-n-benzyl-5-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)[nH]cn4	2P5	4-tert-butyl-n-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7h-purin-2-yl)phenyl]benzamide
+c1ccc(cc1)CCCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N	2P6	(2s)-1-[1-(4-phenylbutanoyl)-l-prolyl]pyrrolidine-2-carbonitrile
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)O	2P7	[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-(3-oxidanylazetidin-1-yl)methanone
+c1ccc(cc1)CNC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O	2P8	(2s)-n-benzyl-2-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
+c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	2P9	5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+NP(=O)(N)O	2PA	diamidophosphate
+c1ccc(c(c1)C(=O)[O-])O[P@H](=O)[O-]	2PB	2-[(dioxidophosphino)oxy]benzoate
+C1CC(=[NH+]C1)C(=O)[O-]	2PC	3,4-dihydro-2h-pyrrolium-5-carboxylate
+CC(C)CCN1C(=O)C(=C(C(=N1)c2ccccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OC	2PD	5-hydroxy-4-(7-methoxy-1,1-dioxido-2h-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2h)-one
+C(COCCOCCOCCOCCOCCOCCOCCOCCO)O	2PE	nonaethylene glycol
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34[N@@]2[C@@H](C[C@@H]4c5c(c(c(c(c5F)F)F)F)F)O)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O	2PF	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(1r,3r,3as)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]pentyl dihydrogen diphosphate
+C([C@H](C(=O)O)OP(=O)(O)O)O	2PG	2-phosphoglyceric acid
+C1C(=NC2=C(N1)N=C(NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O	2PH	[7,8-dihydro-pterin-6-yl methanyl]-phosphonophosphate
+CCC[C@@H](C(=O)O)N	2PI	2-amino-pentanoic acid
+CC(C)(C)OC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)F	2PJ	tert-butyl [(2s)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
+[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)O)/S1	2PK	(5~{e})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
+C(C(=O)O)OP(=O)(O)O	2PL	phosphoglycolic acid
+CN(C)CCOC(c1ccccc1)c2ccccc2	2PM	n-[2-(benzhydryloxy)ethyl]-n,n-dimethylamine
+N(P(=O)(O)O)P(=O)(O)O	2PN	imidodiphosphoric acid
+[O-]P(=O)[O-]	2PO	phosphonate
+CCCC(CCC)C(=O)O	2PP	2-propyl-pentanoic acid
+CCCc1cc(ccc1OCCCN2CCCc3c2cccc3OC(C)(C)C(=O)O)C(=O)c4ccc(cc4)c5ccccc5	2PQ	2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid
+c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	2PR	2-amino-9-[2-deoxyribofuranosyl]-9h-purine-5'-monophosphate
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)N	2PS	phenyl (3s)-3-amino-5-phenylpentane-1-sulfonate
+CNC(=[S][Pt+2]1[NH2]CC[NH2]1)N(C)CCNc2c3ccccc3[nH+]c4c2cccc4	2PT	1-[2-(acridin-9-ylamino)ethyl]-1,3-dimethylthiourea-platinum(ii)-ethane-1,2-diamine
+c1cc2c(c(c1)NC(=O)Nc3cc([nH]n3)[C@@H]4CCCN4)[C@@H]5CCCN5C2=O	2PU	1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-(5-pyrrolidin-2-yl-1h-pyrazol-3-yl)-urea
+[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)N)/S1	2PV	(5~{e})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one
+CC[C@@H](C)N1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S	2PW	(5~{e})-3-[(2~{r})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+Cc1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N	2PX	n-{1-[(5-methyl-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide
+c1cc2c(cc1c3cc(cnc3)OC[C@H](CC4=C5C=CC=CC5N=C4)N)cn[nH]2	2PY	(2s)-1-{[5-(1h-indazol-5-yl)pyridin-3-yl]oxy}-3-[(7as)-7ah-indol-3-yl]propan-2-amine
+c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN	2PZ	n-[1-(1h-indol-3-ylmethyl)piperidin-4-yl]glycinamide
+CC(C)CN1C(=O)/C(=C/c2ccc(cc2)O)/SC1=S	2Q0	(5~{z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
+C([C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O)O	2Q2	l-galactonic acid
+CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC(C)(C)O	2Q4	n-{(2r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide
+C[C@H](CO)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O	2Q5	(2r)-2-{[(2r)-2-{[(2s)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol
+COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3ccc(cc3)OCCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N	2Q6	methyl [(2s)-2-[4-({5-[4-({(2s)-2-[(3s)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate
+C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N2CCN(CC2)c3nc(nc(n3)N4CCOCC4)c5cnc(nc5C(F)F)N	2Q7	n-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide
+CC1(Cc2c(c3c(n2c4ccc(cc4)C(=O)N)CN(CC3)C)C(=O)C1)C	2Q8	4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9h-beta-carbolin-9-yl)benzamide
+CC(C)Nc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C	2Q9	2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5h-beta-carbolin-5-one
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)C5CCCC5)C(=O)NCC4	2QA	8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)-3,4-dihydroisoquinolin-1(2h)-one
+Cc1ncc(c(n1)N)CN=[N+]=[N-]	2QB	5-(azidomethyl)-2-methylpyrimidin-4-amine
+c1cc(ccc1CN)c2csnn2	2QC	1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine
+CNC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O	2QD	(4r)-4-[3-(methylamino)-3-oxopropyl]-l-glutamic acid
+COC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O	2QE	(2s,4r)-4-(3-methoxy-3-oxopropyl) glutamic acid
+c1cc2cc(ccn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F	2QF	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide
+c1cc(ccc1OCCCCCC/N=C(\NC#N)/Nc2ccncc2)Cl	2QG	2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
+Cc1cc(ccc1OC)[C@]2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(c(c4)c5cccnc5)F	2QH	(8r)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
+C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2cccc(c2)Br)(C(F)(F)F)O	2QJ	(2r)-n-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
+CC[C@H](c1ccccc1Cl)NC(=O)c2ccc3c(c2)c(n[nH]3)c4ccc(cc4)OC5CCN(CC5)C	2QK	n-[(1r)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1h-indazole-5-carboxamide
+c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@H]([C@@H]([C@@H](C6)O)O)O	2QL	(11r,12r,13r)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol
+c1cc(ccc1[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O)O	2QM	n~2~-{[(s)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](Cc2ccncc2)C(=O)O)I	2QN	n~2~-{[(1s)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+C=CCc1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O	2QO	(2e)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid
+c1cc(oc1)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O	2QP	n~2~-{[(1s)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+C#CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O	2QQ	n~2~-{[(1s)-1-carboxybut-3-yn-1-yl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H]2CO[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O	2QR	(2r,3r,4s,5s)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2h-pyr an-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](C[C@H]2CO2)C(=O)O)I	2QS	(2s)-2-[({(1s)-1-carboxy-2-[(2s)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid (non-preferred name)
+c1cc2c(cc1c3cc(cc(c3)F)NC(=O)CN4CCCC4)c(ncn2)N	2QT	n-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide
+c1cc(nc2c1ncnc2N)c3ccnc(c3)F	2QU	6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine
+c1cc(cc(c1)Cl)c2ccc3c(c2)c(ncn3)N	2QV	6-(3-chlorophenyl)quinazolin-4-amine
+Cc1ccc(cc1)NC(=O)[C@H](C2CCCCC2)NC(=O)[C@H](CC[Se]C)N	2QW	(2s)-2-amino-n-{(1s)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide
+COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)CCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N	2QX	methyl [(2s)-2-(5-{5-[4-({(2s)-2-[(3s)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
+CN/C(=C\c1ccc(cc1)O)/C(=O)O	2QY	(2z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid
+C[C@H]([C@@H](C(=O)O)N(C)C)O	2QZ	n,n-dimethyl-l-threonine
+C1[C@H](O1)/C(=C(\C(=O)O)/N)/CO	2R1	(2e)-2-amino-4-hydroxy-3-[(2r)-oxiran-2-yl]but-2-enoic acid
+Cc1c(cc2c(c1[N+](=O)[O-])sc(n2)C(=O)N3CCN(CC3)CCOC)C(F)(F)F	2R2	[4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone
+COc1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O	2R3	(betar)-beta-hydroxy-o-methyl-l-tyrosine
+c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6	2R4	8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4h-chromen-4-one
+Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCn4cccc4	2R5	n-tert-butyl-3-{[5-methyl-2-({4-[2-(1h-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)CC(C)C)C(=O)NCC4	2R6	8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)-3,4-dihydroisoquinolin-1(2h)-one
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)NC2(CC2)C(=O)O)I	2R7	n~2~-[(1-carboxycyclopropyl)carbamoyl]-n~6~-(4-iodobenzoyl)-l-lysine
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5ccc(cc5ccn4)OC)NC(=O)OC(C)(C)C	2R8	n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-l-prolinamide
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C	2R9	n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-l-prolinamide
+C([C@H](C(=O)O)N)N	2RA	3-amino-d-alanine
+COc1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	2RB	n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
+CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C	2RC	[6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
+CCCCCCCCCCCCSc1c(nn[nH]1)C(=O)O	2RD	5-(dodecylthio)-1h-1,2,3-triazole-4-carboxylic acid
+c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O	2RE	4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1h-imidazol-2-yl]phenol
+c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O	2RF	3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1h-pyrrole-2,5-dione
+C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O	2RG	(2s,3r,4s)-4-({(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1s,2r)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+CC(C)C[C@H](C(=O)O)O	2RH	(2r)-2-hydroxy-4-methylpentanoic acid
+C[C@@H](c1ccc(cc1)F)NC(=O)[C@@H](c2cccnc2)N(c3ccc4c5ccccc5oc4c3)C(=O)[C@@H](C)O	2RI	(2~{r})-~{n}-dibenzofuran-3-yl-~{n}-[(1~{r})-2-[[(1~{s})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide
+Cc1cccc(c1C)Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F	2RJ	2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidine
+C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2	2RK	4-[(5z)-5-(1-nitroso-2,3-dihydro-5h-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4h-imidazol-4-ylidene]-1,4-dihydropyridine
+COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)OCCN4C(=O)Nc5ccc(cc5)Cl	2RL	n-(4-chlorophenyl)-7-[(6,7-dimethoxyquinolin-4-yl)oxy]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
+c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F	2RM	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide
+c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O	2RN	3-[2-phenyl-4-(pyridin-4-yl)-1h-imidazol-5-yl]phenol
+CC(C)(C)c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O	2RO	5-[2-(4-tert-butylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CCC[C@@H](C)O	2RP	(2r)-pentan-2-ol
+COc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F	2RQ	4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine
+c1ccc2c(c1)nc(n2CC(=O)c3ccc(cc3)N)c4c(non4)NCCC#N	2RR	3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1h-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile
+Cc1cc(c(c(c1)C)Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C	2RS	4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
+Cc1cc(c(c(c1)C)Nc2ncnc(n2)Nc3ccc(cc3)C#N)C	2RT	4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
+CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F	2RU	1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
+CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)OC(F)(F)F	2RV	1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H](CCO4)O)O)O)N	2RW	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s)-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C([C@@H](C(=O)O)N)OP(=O)(O)S	2RX	o-thiophosphono-l-serine
+c1ccc(c(c1)CC(=O)N2CCN(CC2)c3c4c5c(sc4ncn3)CCC5)C(F)(F)F	2RY	1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
+[H]/N=C(\N[C@H](Cc1ccccc1)C(=O)NCc2ccc(c(c2)OC)OC)/NC(=O)Cc3ccc(c(c3)OC)OC	2RZ	n-(3,4-dimethoxybenzyl)-nalpha-{n-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-d-phenylalaninamide
+CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)OC(=O)C	2S0	[(8s,11r,13s,14s,17r)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen ta[a]phenanthren-17-yl] acetate
+COc1cc(c(cc1OC)Br)C(=O)N[C@@H](Cc2cccc(c2)Oc3ccccc3)[C@H](CN(CCc4ccc(cc4Cl)Cl)C(=O)CCN5C(=O)c6ccccc6C5=O)O	2S1	2-bromo-n-[(2s,3s)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide
+CCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	2S2	(2s)-2-(1h-indol-3-yl)hexanoic acid
+CCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	2S3	(2s)-2-(1h-indol-3-yl)pentanoic acid
+[H]/N=C(/NCc1ccc(cc1)C)\NC(=O)Cc2ccc(c(c2)OC)OC	2S4	2-(3,4-dimethoxyphenyl)-n-[n-(4-methylbenzyl)carbamimidoyl]acetamide
+c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2S6	4-(3-{4-[(r)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
+c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2S7	4-(3-{4-[(s)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile
+CC(C)(C)OC(=O)NCCCCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	2S8	(2s)-8-[(tert-butoxycarbonyl)amino]-2-(1h-indol-3-yl)octanoic acid
+c1cc(cc(c1)F)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2S9	4-(3-{4-[(r)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N[C@@H](CC(=O)O)C(=O)O	2SA	2-[9-(3,4-dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-9h-purin-6-ylamino]-succinic acid
+c1ccc(cc1)[C@@H](C(=O)N/N=C/c2ccc(c(c2)Br)O)N	2SB	(2s)-2-amino-n'-[(1e)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)CO)NCc4cccnc4	2SC	(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
+c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)S(=O)(=O)N)O	2SE	4-(3-{4-[(s)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide
+c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)N	2SF	4-(3-{4-[(r)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)(S)S)O)O)N=C(NC2=O)N	2SG	guanosine phosphorodithioate
+c1cc(c(cc1[C@@H](CO)NC(=O)N2CCc3cnc(nc3C2)NC4CCOCC4)Cl)F	2SH	n-[(1s)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2h-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6h)-carboxamide
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O	2SI	2-o-sulfo-a-l-iduronic acid
+CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)O)OC)OC)OC	2SJ	n-[(7s)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
+CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)NCc2ccccc2	2SK	(1r,2r,3r,4s,5r)-4-(benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol
+CCC[C@H](C)O	2SL	(2s)-pentan-2-ol
+Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC	2SM	methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
+CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N	2SN	7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine
+c1ccc(cc1)CCCCCCCCn2c[n+](cc2C[C@@H](C(=O)O)N)CC[C@H](CO)O	2SO	3-{3-[(3r)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1h-imidazol-3-ium-5-yl}-l-alanine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC	2SP	(1s)-2-(phosphonooxy)-1-[(stearoyloxy)methyl]ethyl stearate
+Cc1c(cc(c2c1CCCO2)F)C3=C(N(C(=O)c4c3cccc4)C)[C@@H](C(=O)O)OC(C)(C)C	2SQ	(2s)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2h-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid
+Cc1cc(c2c(c1)C(=C[C@H](O2)C3CCOCC3)O)c4ccc(c(c4)OC)OC	2SR	(2r)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2h-pyran-4-yl)-2h-chromen-4-ol
+C=CCN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	2SS	(2s)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)[Se]C	2ST	5-methyl-2'-se-methyl-2'-selenouridine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)c(c[nH]2)C[C@](CF)(C(=O)O)N	2SU	alpha-(fluoromethyl)-d-tryptophan
+CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	2SW	[(3r,5r,6s)-1-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
+c1cc2c(cc1Br)c(c[nH]2)CC(=O)O	2SX	(5-bromo-1h-indol-3-yl)acetic acid
+c1ccc2c(c1)c(cn2Cc3cccc(c3)Cl)CC(=O)O	2SY	[1-(3-chlorobenzyl)-1h-indol-3-yl]acetic acid
+CN1CCN(CC1)Cc2ccc(cn2)C#Cc3ccc(cc3)c4cc(cnc4n5cnc6c5cccc6)C(=O)NO	2SZ	6-(1h-benzimidazol-1-yl)-n-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide
+c1cc2c(cc1OP(=O)(O)O)-c3c(sc(n3)N)CC2	2T0	2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate
+c1ccc(c(c1)C2CCN(CC2)C(=O)Nc3ccccc3C(=O)O)C(F)(F)F	2T1	2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
+C#Cc1cccc(c1)Cn2cc(c3c2cccc3)CC(=O)O	2T2	[1-(3-ethynylbenzyl)-1h-indol-3-yl]acetic acid
+c1ccc(cc1)NC(=O)[C@@H]([C@H](C(=O)O)O)O	2T3	(2r,3r)-4-anilino-2,3-dihydroxy-4-oxobutanoic acid
+c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2	2T4	{[(2-amino-8h-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
+c1cc2c(c(c1)OCP(=O)(O)O)-c3c(scn3)C2	2T5	[(8h-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
+c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O	2T6	{[(7-carbamoyl-8h-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
+COc1ccc(cc1Cn2cc(c3c2cccc3)CC(=O)O)[N+](=O)[O-]	2T7	[1-(2-methoxy-5-nitrobenzyl)-1h-indol-3-yl]acetic acid
+C(#[O+])[Ir]([O-])(Cl)(Cl)(Cl)Cl	2T8	carbonyl(tetrachloro)oxidoiridium
+COc1ccc(cc1Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O)[N+](=O)[O-]	2T9	[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1h-indol-3-yl]acetic acid
+Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4	2TA	n-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
+C1[C@H]([C@@H](C([C@@H]([C@H]1[NH3+])O)O)O)[NH3+]	2TB	1,3-diamino-4,5,6-trihydroxy-cyclohexane
+C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C#N)O)N(C)C	2TC	(4s,4as,6s,8as)-6-[(1s)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonitrile
+CC(=O)CCCCCCCCCC=C	2TD	tridec-12-en-2-one
+CC#CC[C@@](c1ccc(cc1)[N@@]2CC[N@](C[C@@H]2C#CC)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O	2TE	(2r)-2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1-trifluorohex-4-yn-2-ol
+CC#C[C@H]1CN(CCN1c2ccc(cc2)[C@](CO)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N	2TF	(2s)-2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol
+CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=N)(=O)C(F)(F)F)S(=O)(=O)c3ccc(nc3)N	2TG	5-{[(3s)-3-(prop-1-yn-1-yl)-4-{4-[s-(trifluoromethyl)sulfonimidoyl]phenyl}piperazin-1-yl]sulfonyl}pyridin-2-amine
+c1ccc2c(c1)C[C@H]([C@@H]2O)NC(=O)c3cc4cc(sc4[nH]3)Cl	2TH	2-chloro-n-[(1r,2r)-1-hydroxy-2,3-dihydro-1h-inden-2-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide
+CCNC(=O)[C@@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)NC(=O)C	2TI	(2~{s})-2-[[[(3~{r})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
+CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=O)(=O)NC)S(=O)(=O)c3ccc(nc3)N	2TJ	4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]-n-methylbenzenesulfonamide
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br	2TK	2-(2-bromophenoxy)-5-hexylphenol
+C[C@H]([C@H](C(=O)O)N)O	2TL	d-allothreonine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O	2TM	5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine
+CC(C)NCC(COc1ccc(cc1)CC(=O)N)O	2TN	2-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)ethanamide
+c1cc(cnc1)c2cc(cnc2N3CCN(CC3)S(=O)(=O)c4ccc(nc4)N)C(C(F)(F)F)(C(F)(F)F)O	2TO	2-(2-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
+Cc1c(sc[n+]1Cc2cnc(nc2NO)C)CCO[P@](=O)(O)OP(=O)(O)O	2TP	2-(3-{[4-(hydroxyamino)-2-methylpyrimidin-5-yl]methyl}-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethyl trihydrogen diphosphate
+C1C[C@H](N2[C@@H]1CC2=O)C(=O)O	2TQ	(2s,5s)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+CN(C)C(=O)c1c(ccc(c1F)c2cnc3c(c2Cl)[C@@]4(CC[C@H](C4)O)CN3)N	2TR	6-amino-3-[(1s,3r)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-n,n-dimethylbenzamide
+[H]/N=C(\N)/NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	2TS	(2s)-n-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2r)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide
+c1ccc(c(c1)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl	2TT	2-chloro-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
+C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	2TU	1-(beta-d-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
+CC(=O)O/C=C/1\CSC(N=C1C(=O)O)C(C=O)NC=O	2TV	(2r,5z)-5-[(acetyloxy)methylidene]-2-[(1r)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N2[C@@H]([C@H](O[C@@H](C2=O)CC(=O)O)c3cccc(c3)Cl)c4ccc(cc4)Cl	2TW	[(2r,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
+CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CC[C@H]1C(O1)(C)C)/C)/C)C	2TX	(3s)-2,2-dimethyl-3-[(3e,7e,11e,15e)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
+c1ccc(cc1)C\C=N\c2cc(c(cc2O)O)C[C@@H](C(=O)O)N	2TY	2-hydroxy-5-{[(1e)-2-phenylethylidene]amino}-l-tyrosine
+CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	2TZ	[(2r,5r,6r)-4-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
+C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)Cc5ncc(s5)CC(=O)O	2U0	(2-{[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid
+C[C@@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O	2U1	6-{[(2s,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid
+c1c(nc(s1)N)/C(=N/OCC2=CC(=O)C(=CN2O)O)/C(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C=O	2U2	(2e)-2-({[(2s)-2-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid
+CC(C)([C@@H](CO)NC(=O)/C(=N\OCC1=CC(=O)C(=CN1O)O)/c2csc(n2)N)NOS(=O)(=O)O	2U3	(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-n-{(2s)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO/N=C(\C[C@@H](C(=O)O)N2C(=O)c3cc(c(cc3C2=O)O)O)/C(=O)O)C=O	2U4	(4z,8s,11e,14s)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid
+C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(cc3)Cl)c4cccc(c4)Cl)Cc5ccc(cn5)C(=O)O	2U5	6-{[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid
+C[C@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O	2U6	6-{[(2r,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid
+CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	2U7	[(2s,5r,6r)-4-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
+Cc1cccc(c1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC)O	2U8	mavoglurant
+Cc1ccc(cc1)OCc2nc(cs2)C(=O)N[C@H]3CCS(=O)(=O)C3	2U9	n-[(3s)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
+C1CNC(=O)[C@@H]1C[C@@H](CCC(=O)C2CC2)N	2UA	(3s)-3-[(2r)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one
+c1cc(ccc1/C=C(\C(=O)O)/S)Cl	2UB	(z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid
+[H]/N=C(\N)/NCc1cccc(c1)CC=O	2UC	1-[3-(2-oxoethyl)benzyl]guanidine
+c1cc2c(cc1Br)c(c[nH]2)CC(=S)C(=O)O	2UD	3-(5-bromo-1h-indol-3-yl)-2-thioxopropanoic acid
+[H]/N=C(/N)\NCc1ccc(cc1)CC=O	2UE	1-[4-(2-oxoethyl)benzyl]guanidine
+C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O	2UF	l-gulonate
+c1cnccc1Nc2nccc(n2)c3cnc(nc3CC4CC4)N	2UG	4'-(cyclopropylmethyl)-n~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine
+CCC(=O)NCCCNC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)C(=O)N1	2UH	n-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate)
+C[C@H](CC[C@H](CCO)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C	2UI	(3r,6r)-6-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol
+CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N1	2UJ	n-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate)
+CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N1	2UK	5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-n-[3-(propanoylamino)propyl]guanosine
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)[C@@H](c2ccccc2)N)(O)O	2UL	3-[(2r)-2-{[(2r)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid
+COC(=O)C(Cc1ccccc1)(Cc2ccc(cc2)NS(=O)(=O)O)C(=O)OC	2UN	{4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid
+CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O	2UO	mevastatin, compactin
+[H]/N=C(\c1ccc2ccccc2c1)/N	2UP	naphthalene-2-carboximidamide
+[H]/N=C/c1ncc(cn1)C(=O)NCc2ccccc2	2UQ	n-benzyl-2-[(z)-iminomethyl]pyrimidine-5-carboxamide
+C[C@@H]1Cc2cc(cc(c2O1)C(=O)N)F	2UR	(2r)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
+c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3O)O)/C2=O	2US	(2z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
+c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)OCCN4CCOCC4)/C2=O	2UT	(2z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
+Cc1ccc(c2c1cccc2)c3ccc(c(c3)NS(=O)(=O)c4ccc(cc4)Oc5ccccc5)C(=O)O	2UU	4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid
+CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O	2UV	4-hydroxy-4'-propylbiphenyl-3-carboxylic acid
+C[C@](c1cc(c(nc1)c2ccc(s2)S(=O)(=O)c3ccc(nc3)N)Cl)(C(F)(F)F)O	2UW	(2s)-2-(6-{5-[(6-aminopyridin-3-yl)sulfonyl]thiophen-2-yl}-5-chloropyridin-3-yl)-1,1,1-trifluoropropan-2-ol
+C[C@](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O	2UX	(2s)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol
+C[C@](c1ccc(nc1)c2ccc(nc2Nc3ccccc3)S(=O)(=O)c4ccc(nc4)N)(C(F)(F)F)O	2UY	(2s)-2-{6'-[(6-aminopyridin-3-yl)sulfonyl]-2'-(phenylamino)-2,3'-bipyridin-5-yl}-1,1,1-trifluoropropan-2-ol
+C1C=C(NC(S1)C(C(=O)O)N)C(=O)O	2UZ	(2r)-2-[(r)-amino(carboxy)methyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)N)C(=O)O	2V0	(2r)-2-[(r)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6	2V1	4-(methylsulfonyl)-n-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide
+Cc1c(cccc1N2C=Nc3cc(ccc3C2=O)C(C)(C)C)C4=CN(C(=O)C(=C4)NC(=O)NC)C	2V2	1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4h)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea
+CCN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7	2V3	6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2h)-one
+C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O)O)O	2V4	rabelomycin
+[H]/N=C(\N)/NOCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C	2V5	n-[(2s)-5-(carbamimidamidooxy)-1-oxo-1-{[(1e,3s)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
+Cc1cc(n2c(n1)nc(n2)C(F)(F)F)Nc3cc(c(c(c3)F)C(F)(F)F)F	2V6	n-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+C[C@@H]([C@H](c1ccc2cc(ccc2c1)OC)O)O	2V7	(1s,2s)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
+Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O	2V8	1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1h-imidazole-4-carboxylic acid
+C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)(CO)O	2V9	lestaurtinib
+CC(C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N	2VA	2'-(l-valyl)amino-2'-deoxyadenosine
+[H]/N=C(/N)\NOCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)/C=C/S(=O)(=O)c2ncccn2)NC(=O)N3CCN(CC3)C	2VC	n-[(2s)-5-(carbamimidamidooxy)-1-oxo-1-{[(1e,3s)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
+c1ccc(cc1)C[C@H](C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2C[C@@H](CC4)C(=O)O)Br	2VD	(2r)-6-bromo-9-(2-{[(1r)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+c1cc2c(cc1Br)c3c(n2CC(=O)NCC(=O)O)C[C@@H](CC3)C(=O)O	2VE	(2r)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+c1cc2c(cc1Cl)c3c(n2CC(=O)N)C[C@@H](CC3)C(=O)O	2VF	(2r)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+c1cc2c(cc1Cl)c3c([nH]2)C[C@@H](CC3)C(=O)O	2VG	(2r)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+CS(=O)(=O)n1cc2c(n1)CN(C2)[C@@H]3C[C@@H]([C@H](OC3)c4cc(c(cc4F)F)F)N	2VH	(2r,3s,5r)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4h)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2h-pyran-3-amine
+CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)Sc4[nH]c(cn4)C(=O)O	2VJ	2-[(2-{(1s,2s)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1h-imidazole-5-carboxylic acid
+c1ccc(cc1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2VK	4-(3-{4-[(s)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
+Cc1c(cccc1NC(=O)c2cc3c(s2)CCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)[C@@H]6C(=O)N(CCN6C)C)C	2VL	n-{3-[6-({4-[(2r)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2C[C@@H](CC4)C(=O)O)Br	2VM	(2r)-6-bromo-9-(2-{[(1s)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3	2VN	2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid
+CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C	2VO	phytochromobilin, bound form
+Cc1ccc2c(c1)/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2	2VP	(2e,4e,6z,8e)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
+Cc1ncc(n1CCNS(=O)(=O)N)[N+](=O)[O-]	2VQ	n-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]sulfamide
+Cc1cccc2c1/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2	2VR	(2e,4e,6z,8e)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
+C(=C/C=O)\C=C(\C(=O)O)/O	2VS	(2z,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid
+c1ccc2c(c1)c([nH]n2)C(=O)Nc3cnn(c3)Cc4cccc(c4)C#N	2VT	n-[1-(3-cyanobenzyl)-1h-pyrazol-4-yl]-2h-indazole-3-carboxamide
+c1cc(cc(c1)C#N)Cn2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5	2VU	n-[1-(3-cyanobenzyl)-1h-pyrazol-4-yl]-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide
+CN(C)CC[C@@H](c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5	2VV	n-{1-[(1s)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide
+CN(C)CC[C@H](c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5	2VW	n-{1-[(1r)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide
+CCCS(=O)(=O)Nc1ccc(c(c1F)N(C)c2ccc3c(c2)C(=O)N(C=N3)C)F	2VX	n-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide
+Cc1c(csc1C=O)Cc2cnc(nc2N)C	2VY	4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde
+Cc1ccc\2c(c1)CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C	2VZ	(2e,4e,6z,8e)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
+Cc1cccc\2c1CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C	2W0	(2e,4e,6z,8e)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
+c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(cccn4)C5CCOCC5	2W1	1h-benzimidazol-2-yl(4-{[3-(tetrahydro-2h-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](CCC(=O)O)C(=O)O	2W2	n-[(1s)-4-carbamimidamido-1-carboxybutyl]-d-glutamic acid
+CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)C4=NC(=C(C(=O)N4)C(=O)N)O	2W3	2-[2-[(1s,2s)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1h-pyrimidine-5-carboxamide
+c1cc(ccc1c2ccc3c(c2)cco3)N4C(=NNC4=O)C[C@@H]5CCN(C5)C(=O)C6CC6	2W4	4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3s)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3h-1,2,4-triazol-3-one
+COc1cc(nc(n1)[C@@H]2CCCC[C@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)OC	2W5	(1r,2r)-n-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide
+CC1(CCc2c([nH]nc2C(=O)Nc3cnn(c3)[C@@H](CCN(C)C)c4ccccc4)C1)C	2W6	n-{1-[(1s)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxamide
+c1ccc(c(c1)C(=O)NCC(=O)NC23CC4CC(C2)CC(C4)C3)S	2W7	n-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide
+c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])CCC(=O)O	2W8	3-(3'-nitrobiphenyl-3-yl)propanoic acid
+c1cc(cc(c1)c2ccc(o2)[N+](=O)[O-])CCC(=O)O	2W9	3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid
+CCCCCCCCCCCCCC[C@@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCC)O	2WA	(1s,8e)-1-{[(2s)-1-hydroxy-3-{[(1s)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol
+c1ccc(c(c1)CC(=O)O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-]	2WB	{2-[5-(3-nitrophenyl)furan-2-yl]phenyl}acetic acid
+Cc1c(cccc1C(=O)O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N	2WC	3-[2-azanyl-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methyl-benzoic acid
+CCCCC[C@H](O)OC[C@H](CO)O[C@H](CCCC)O	2WD	(1r)-1-{[(2s)-3-hydroxy-2-{[(1r)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol
+COc1c(sc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N	2WE	2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide
+c1cc(cc2c1ccnc2)c3ccnc(c3)NC(=O)C4CC4	2WF	n-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide
+COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N	2WG	2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide
+CCCn1cc(nc1)CCNC(=O)Nc2nc3ccc(cc3s2)c4cc(cnc4)OC	2WH	1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1h-imidazol-4-yl)ethyl]urea
+Cc1c(cnc2c1C3(CC3)C=N2)c4ccc(c(c4F)C(=O)N(C)C)N	2WI	6-amino-2-fluoro-n,n-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide
+CC(=O)Nc1nc2ccc(cc2s1)c3cccnc3	2WJ	n-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
+CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)OC)OC	2WK	n-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
+c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl	2WL	(1-benzyl-1h-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone
+CCCCCCCCCCCCCCCCC[C@@H](O)O[C@@H](CO)CO[C@@H](CCCCCC/C=C/CCCCCCCCC)O	2WM	(1s,8e)-1-{[(2s)-3-hydroxy-2-{[(1s)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol
+c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)OS(=O)(=O)F	2WN	4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate
+C(CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)[C@@H](C(=O)O)N	2WP	s-ribosylhomocysteine
+C#CCNC(=O)c1ccc(cc1OCC(=O)O)F	2WQ	[5-fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy]acetic acid
+c1cc(c(cc1F)OCC(=O)O)C(=O)N	2WR	(2-carbamoyl-5-fluorophenoxy)acetic acid
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O)O)O)O	2WS	beta-d-xylopyranosyl-(1->4)-beta-d-xylopyranosyl-(1->4)-beta-d-xylopyranose
+Cn1c2cc(c(cc2c(c1c3cccc(c3)NC(=O)CCC(=O)NCc4ccc5c(c4)OCO5)I)C(=O)O)O	2WT	2-[3-({4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoyl}amino)phenyl]-6-hydroxy-3-iodo-1-methyl-1h-indole-5-carboxylic acid
+CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N	2WU	6-amino-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@H](CC[C@@H](CCO)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C	2WV	(3s,6r)-6-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol
+CC(C)C[C@@H](N)P(=O)(O)O	2WW	[(1s)-1-amino-3-methylbutyl]phosphonic acid
+c1ccc2c(c1)cc(s2)[C@@H](c3ccccc3Cl)NS(=O)(=O)c4ccc5c(c4)OCCCO5	2WX	n-[(r)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonamide
+c1ccc(cc1)[C@H](c2cc3ccccc3o2)NS(=O)(=O)c4ccc5c(c4)OCCCO5	2WY	n-[(r)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonamide
+CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)[C@@H](c4c(cnc(c4F)N)Cl)NS(=O)(=O)C5CC5)O	2WZ	n-[(r)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide
+c1ccc(cc1)CC[C@H](N)P(=O)(O)O	2X0	[(1r)-1-amino-3-phenylpropyl]phosphonic acid
+[H]/N=C(/c1ccc(cc1)NC(=O)Nc2cccc(c2)CN)\N	2X1	4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide
+C(C1C2(C(C(O1)N3C2NC4=C3N=C(NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	2X3	(8s)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate
+c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@@H]5CCOC[C@H]5O2	2X4	(4r,4a's,10a's)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'h-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine
+c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@H]5CCOC[C@@H]5O2	2X5	(4r,4a'r,10a'r)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'h-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine
+c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)N[C@@H]5CCCC[C@@H]5N)N=CNC4=O	2X6	7-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3h)-one
+[H]/N=C/1\C=CC=COC1=O	2X7	(3e)-3-iminooxepin-2(3h)-one
+Cc1c(cc(c(n1)C)CC(=O)O)Cc2nc3c(c(cc(c3s2)F)F)F	2X9	{2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid
+c1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)Cl)SC[C@@H](C(=O)O)N	2XA	(2r)-2-amino-3-[(4-chlorophenyl)-diphenyl-methyl]sulfanyl-propanoic acid
+c1cc(ccc1Cc2c[nH]c3c2c(nc(n3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2XB	n-{4-[(2-amino-4-hydroxy-7h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-l-glutamic acid
+c1ccc(cc1)[C@H]2CCCN(C2)/C=C/C(=O)c3ccccc3O	2XC	(2e)-1-(2-hydroxyphenyl)-3-[(3r)-3-phenylpiperidin-1-yl]prop-2-en-1-one
+c1ccc(c(c1)C(=O)/C=C/N2CCc3c[nH]nc3C2)O	2XD	(2e)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one
+c1cc(ccc1S)Br	2XE	4-bromobenzenethiol
+CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC1)C(=O)N(Cc2cccc(c2Cl)Cl)C3CC3	2XF	tert-butyl {(3s,5r)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]piperidin-3-yl}carbamate
+c1cc(c(cc1S)F)F	2XG	3,4-difluorobenzenethiol
+c1ccc2c(c1)cccc2S	2XH	naphthalene-1-thiol
+C[C@H](C(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C)O	2XI	(2~{r})-~{n}-[(1~{r})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{n}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide
+CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3cc(nc(n3)N)N	2XJ	1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol
+COc1cc(c(cc1OC)[N+](=O)[O-])CC(=O)c2ccc(cc2)C#N	2XK	4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile
+CCCc1c(nc(s1)c2ccc(c(c2)O)OC)CSc3nc(cc(n3)N)N	2XL	5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol
+CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OCCO)CSc3nc(cc(n3)N)N	2XM	2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol)
+Cc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)[C@@H](C)Sc3nc(cc(n3)N)N	2XN	n-{2-[5-(4-{(1r)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide
+c1ccc2c(c1)[nH]c(n2)CS	2XO	1h-benzimidazol-2-ylmethanethiol
+[H]/N=C(/C/C=C\C=O)\C(=O)O	2XP	(2z,4z)-2-imino-6-oxohex-4-enoic acid
+Cc1c(oc2c1c(ccc2)OCCCNCc3cccnc3)COc4ccc(c(c4F)F)F	2XQ	3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-n-(pyridin-3-ylmethyl)propan-1-amine
+c1ccc2c(c1)c(c[nH]2)C(=O)CCl	2XR	2-chloro-1-(1h-indol-3-yl)ethanone
+c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6	2XS	4-[(3ar,4r,7s,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide
+CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4ccccc4)O)O)NC(=O)C	2XT	propyl 2-(acetylamino)-4-o-{3-o-[(1-benzyl-1h-1,2,3-triazol-4-yl)methyl]-beta-d-galactopyranosyl}-2-deoxy-beta-d-glucopyranoside
+CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)CC(=O)c4cccc(c4)O)O)O)NC(=O)C	2XU	propyl 2-(acetylamino)-2-deoxy-4-o-[3-o-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1h-1,2,3-triazol-4-yl}methyl)-beta-d-galactopyranosyl]-beta-d-glucopyranoside
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)c4nc([nH]n4)N)O)O	2XW	prop-2-en-1-yl 2-(acetylamino)-4-o-(3-o-{[1-(5-amino-1h-1,2,4-triazol-3-yl)-1h-1,2,3-triazol-4-yl]methyl}-beta-d-galactopyranosyl)-2-deoxy-beta-d-glucopyranoside
+CC[C@@H]1C(=O)C(=C(O1)C)O	2XX	(2r)-2-ethyl-4-hydroxy-5-methylfuran-3(2h)-one
+c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NN2CCOCC2	2XY	n-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine
+CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OC)CSc3nc(cc(n3)N)N	2XZ	2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol
+CCCc1c(nc(s1)c2cccc(c2)OCCNS(=O)(=O)C)CSc3nc(cc(n3)N)N	2Y0	n-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide
+CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N	2Y1	(r)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
+CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@@H](C[C@@H](CC#C)C(=O)NCCN2CCOCC2)O)NC(=O)c3[nH]c4ccccc4n3	2Y2	n-[(2r)-1-{[(2s,3r,5r)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1h-benzimidazole-2-carboxamide
+CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)C(=O)NC	2Y3	n-(tert-butoxycarbonyl)-l-phenylalanyl-n-[(2s,3s,5r)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-l-histidinamide
+CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C(C(=O)NC)(F)F)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3	2Y4	n-[(2s)-1-[[(2s)-1-[[(2s,3r)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC	2Y5	(2r)-1-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)[C@@H](c4ccccc4Cl)NS(=O)(=O)C5CC5)O	2Y6	n-[(r)-(2-chlorophenyl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide
+Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@H](C)Sc3nc(cc(n3)N)N	2Y7	(s)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
+Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N	2Y8	(r)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
+CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3	2Y9	(3s,4r,5r)-n-cyclopropyl-n'-[(2r)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-n-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide
+C[C@H](c1cn(nn1)c2ccc(cc2)Cl)Oc3cc[n+](c4c3cccc4)[O-]	2YA	4-[(1r)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline
+Cc1cc(cc(c1c2cccc(c2)COc3ccc4c(c3)OC[C@H]4CC(=O)O)C)OCCCS(=O)(=O)C	2YB	[(3s)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
+C[C@H]1CC=N[C@@H]1C(=O)NCCCC[C@@H](C(=O)O)N	2YC	n~6~-{[(2s,3s)-3-methyl-3,4-dihydro-2h-pyrrol-2-yl]carbonyl}-l-lysine
+C[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C3=C(C(=O)C(=C4[C@@H]3C[C@@](O4)([C@H](C[C@@H](C/C(=C1)/C)C)C)O)C)O)C)O)C	2YD	(5r,6r,7s,8r,9r,12s,13e,16s,18s,19r,20ar)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5h)-one
+CN(C)C(=O)c1cc(ccc1N)c2cc3cc[nH]c3nc2	2YE	2-amino-n,n-dimethyl-5-(1h-pyrrolo[2,3-b]pyridin-5-yl)benzamide
+C1CC=N[C@H](C1)C(=O)NCCCC[C@@H](C(=O)O)N	2YF	n~6~-[(2r)-2,3,4,5-tetrahydropyridin-2-ylcarbonyl]-l-lysine
+C(CCN)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)N	2YG	n~6~-l-lysyl-l-lysine
+C(C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N)CN	2YH	n~5~-d-ornithyl-l-ornithine
+CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br	2YI	methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate
+C(CCN)C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N	2YJ	n~5~-d-lysyl-l-ornithine
+Cn1cc(cn1)c2nnc3n2nc(cc3)Sc4cc(ccc4OC)OC	2YK	6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine
+c1ccc(cc1)C2=NC(=O)NC(=N2)N	2YL	6-amino-4-phenyl-1,3,5-triazin-2(1h)-one
+c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC(=NC2=O)N	2YM	6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O	2YN	(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]
+c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC=NC2=O	2YO	2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C	2YP	(2r)-2-[[(1r,2s,3r,4r,5r)-4-acetamido-2-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid
+Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F	2YQ	(8s,9r)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1h-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3h-pyrido[4,3,2-de]phthalazin-3-one
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCCS)COP(=O)(O)O)O	2YR	2'-deoxy-n-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)
+CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)[C@@H](CCl)O)NC(=O)[C@@H](C(C)C)N	2YS	d-valyl-n-[(2s,3s)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-l-leucinamide
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](CCl)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)N	2YT	l-phenylalanyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide
+CC1=CC(=S)N(C=C1)O	2YU	1-hydroxy-4-methylpyridine-2(1h)-thione
+c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N	2YV	6-amino-2-[(2-phenylethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+COC(=O)c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N	2YW	methyl 4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoate
+c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C#N	2YX	4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzonitrile
+c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C(=O)O	2YY	4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoic acid
+c1ccc(cc1)CNC(=O)c2ccc(cc2OCC(=O)O)F	2YZ	[2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid
+CN(C)c1cccc2c1ccc(c2)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)CCl	2Z0	n-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-l-alpha-glutamyl-n-[(1s)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide
+	2Z3	n-(morpholin-4-ylcarbonyl)-l-phenylalanyl-n-[(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-l-norleucinamide
+CC(C)[C@@H](C(=O)NCc1ccc(cc1O)OC)NC(=O)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OCc3ccccc3)O)NCc4ccc(cc4)OC	2Z4	benzyl [(1r)-1-({(1s,2s,3s)-1-benzyl-2-hydroxy-4-({(1s)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate
+	2Z5	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
+c1cc(ccc1CCN)S(=O)(=O)OC[C@@H](C(=O)O)N	2ZC	o-{[4-(2-aminoethyl)phenyl]sulfonyl}-l-serine
+C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O	2ZE	(3r,4r,4ar,6as,8r,9r,11as,11bs)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale ne-3,9-diol
+	2ZF	n-(tert-butoxycarbonyl)-l-alpha-glutamyl-n-[(1r)-1-(carboxycarbonyl)-3,3-difluoropropyl]-l-leucinamide
+Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F	2ZI	8-methyl-2-[4-(trifluoromethyl)phenyl]-3h-quinazolin-4-one
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO	2ZL	n~2~-benzyl-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+c1cc2c(cc1[N+](=O)[O-])nc[nH]2	2ZM	5-nitro-1h-benzimidazole
+C[N+](C)(C)CCCC=O	2ZO	n,n,n-trimethyl-4-oxobutan-1-aminium
+c1cc2cccnc2c(c1)[N+](=O)[O-]	2ZQ	8-nitroquinoline
+CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3)O	2ZS	n-(morpholin-4-ylcarbonyl)-l-phenylalanyl-n-[(1r,2s)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-s-methyl-l-cysteinamide
+c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3	2ZT	2-[(quinolin-7-yloxy)methyl]quinoline
+Cc1nc2cc(ccc2s1)OCc3ccc4ccccc4n3	2ZU	2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline
+Cc1ccnc(c1[N+](=O)[O-])N	2ZV	4-methyl-3-nitropyridin-2-amine
+Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C	2ZW	3-(2-chlorophenyl)-5-methyl-n-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
+c1c(nc(nc1Cl)N)N	2ZX	6-chloropyrimidine-2,4-diamine
+CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(F)(F)F	2ZY	(5z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4h-imidazol-4-one
+CC1=N/C(=C\c2cccc(c2)Br)/C(=O)N1C	2ZZ	(5z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one
+COc1cccc(c1OP(=O)(O)O)C=O	300	2-formyl-6-methoxyphenyl dihydrogen phosphate
+C\C=C/C\C=N\c1c2c([nH]cn2)ncn1	301	n6-(penta-2,3-dienyl)adenine
+c1cc(ccc1\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2)C(=O)O	302	4-[(1e,7e)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
+CC(C)[C@H]1c2cc(ccc2CCN1)NC(=O)c3ccc4cc(ccc4c3)C(=N)N	303	6-[(z)-amino(imino)methyl]-n-(1-isopropyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-naphthamide
+CC[C@@H](C)Nc1ncc(s1)C(=O)Nc2cc(ccc2C)C(=O)NC	304	n-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1r)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
+c1cc2c(cc1CN3CCCCC3)cc([nH]2)C4=Cc5cc(ccc5NC4=O)c6c[nH]nc6	306	3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-pyrazol-4-yl)quinolin-2(1h)-one
+Cc1cc2c(cc1C)OC=C(C2=O)CN(C)CCN(C)Cc3cn(c4c3cccc4)c5cccc(c5)C(F)(F)F	307	6,7-dimethyl-3-[(methyl{2-[methyl({1-[3-(trifluoromethyl)phenyl]-1h-indol-3-yl}methyl)amino]ethyl}amino)methyl]-4h-chromen-4-one
+C1C2CC3CC1CC(C2)(C3)N	308	(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-amine
+c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C(=O)O)Cl	30A	6-benzyl-5-chloro-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
+Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC	30B	(2r,3ar,10z,11as,12ar,14ar)-n-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1h)-carboxamide
+CC[C@H]1C[N@@](CC[C@H]1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N	30E	(3r,4r)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid
+C(=C(/C(=O)O)\N)\[SeH]	30F	(2z)-2-amino-3-selanylprop-2-enoic acid
+c1ccc2c(c1)N3CC(=O)NN=C3CO2	30G	3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccnc2)[C@H](C)C(=O)NO	30H	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(pyridin-3-ylmethyl)-d-alaninamide
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N3CCCCCC3)N	30I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide
+C[C@@H]1CN(CCN1c2ccc(cn2)C#N)c3c4cc(ccc4c(nn3)Cc5ccccc5)Cl	30J	6-[(2r)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
+CCN1CCC(CC1)Nc2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]c6ccc(cc6n5)OC)/C(=O)N3	30K	(3z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1h-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2h-indol-2-one
+c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)F	30L	{5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid
+CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O	30M	n-[4-(1-oxo-1,2,3,4-tetrahydro-5h-pyrido[4,3-b]indol-5-yl)butyl]acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS(=O)O)O	30N	(3r,5s,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name)
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)[N+](=O)[O-])[C@H](C)C(=O)NO	30O	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(4-nitrobenzyl)-d-alaninamide
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)N)[C@H](C)C(=O)NO	30P	n~2~-(3-aminobenzyl)-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+CCC(=O)NCCSC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C	30Q	s-[2-(propanoylamino)ethyl] (2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl]propanethioate (non-preferred name)
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)CN)[C@H](C)C(=O)NO	30R	n~2~-[4-(aminomethyl)benzyl]-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+c1ccc(c(c1)COc2cccc3c2c(nc(n3)N)N)S(=O)(=O)O	30S	2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
+c1ccc(cc1)c2cc(n[nH]2)Nc3cc(cc(n3)NC4CCC(CC4)O)S(=O)(=O)c5ccccc5	30T	trans-4-({6-[(5-phenyl-1h-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol
+c1cc2c(c(c1)OCc3ccc(cc3)S(=O)(=O)O)c(nc(n2)N)N	30U	4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
+c1ccc(c(c1)C(=O)N)[Se]SC[C@@H](C(=O)O)N	30V	s-[(2-carbamoylphenyl)selanyl]-l-cysteine
+CC(=O)NC1=Nc2c(nc(cn2)C=O)C(=O)N1	30W	n-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide
+C[C@@H](C(=O)N(C)C)[N@@](CC(F)(F)F)c1ccc(c(c1)C(F)(F)F)C#N	30X	n~2~-[4-cyano-3-(trifluoromethyl)phenyl]-n,n-dimethyl-n~2~-(2,2,2-trifluoroethyl)-l-alaninamide
+C[C@@H](Cc1ccc(c(c1)O)O)[C@@H](C)Cc2ccc(c(c2)O)O	30Z	4-[(2r,3s)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl]benzene-1,2-diol
+[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2Cl)c3ccc(cc3)Oc4ccc(cc4)C(=O)C	310	n-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide
+Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C3)(C)C	311	(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
+COc1ccccc1c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-]	312	2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-methoxy-6-oxido-1,1'-biphenyl-3-yl)succinate
+CS(C)CC(=O)O	313	(dimethyl-lambda~4~-sulfanyl)acetic acid
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)Cc4ccccc4)O)C	314	n'-[(1s,2r)-2-[(2r,4s)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+CS(=O)(=O)c1ccc(c(c1)F)C2NC(ON2)[C@@H](CC3CC3)[C@@H](C(=O)N4CC[C@@H](C4)F)N	315	(2s,3s)-4-cyclopropyl-3-{(3r,5r)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CCN3)Cc4ccccc4)O)C	316	n'-[(1s,2s)-2-[(2s)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+CS(=O)(=O)c1ccc(c(c1)Cl)c2nc(on2)[C@@H](CC3CC3)[C@@H](C(=C4CCCC4)F)N	317	(2s,3s)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CN3)Cc4ccccc4)O)C	318	n'-[(1s,2s)-2-[(4s)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)F	319	n-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
+[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccccc2OC3CCNCC3	31A	n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1[C@H]([C@H]([C@H](O1)c2[nH]c3c(n2)c(ncn3)N)O)O)[C@H](C(=O)NCCC(=O)NCCOC(=O)c4ccccc4)O	31B	benzoyl-oxydephosphocoenzyme a
+CC(C)(C)c1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)C(=O)O	31D	4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid
+c1cc(oc1)C/N=C\S	31E	(z)-[(furan-2-ylmethyl)imino]methanethiol
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N	31F	4-(4-oxidanylidene-3h-quinazolin-2-yl)benzenesulfonamide
+c1cc(cc(c1)S(=O)(=O)O)COc2cccc3c2c(nc(n3)N)N	31G	3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
+CSCC[C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O	31H	3'-deoxy-3'-[(n-formyl-l-methionyl)amino]adenosine 5'-(dihydrogen phosphate)
+CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	31I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(propan-2-yl)phthalazin-2(1h)-yl]prop-2-en -1-one
+Cc1c(c(cc2c1OC(=O)C(=C2C)CCOCCOC)OC)O	31J	7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2h-chromen-2-one
+Cc1cc(cc(c1O)OC)c2ccc3c(c2)OCCN3C	31K	2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2h-1,4-benzoxazin-7-yl)phenol
+Cc1cc(cc(c1O)OC)c2ccc(cc2)N3CCOCC3	31L	3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol
+CSCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N	31M	3'-deoxy-3'-[(l-methionyl-l-phenylalanyl)amino]adenosine 5'-(dihydrogen phosphate)
+COc1ccc2c(n1)c(c(cn2)F)C[C@@H](C34CCC(CC3)(CO4)NCc5ccc6c(n5)NC(=O)CO6)O	31N	6-[({(1r,4s)-1-[(1s)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC	31O	methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate
+CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC	31P	methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate
+c1cc(ccc1C(=O)O)[Hg]SC[C@@H](C(=O)O)N	31Q	(4-carboxyphenyl)(l-cysteinato-kappas~3~)mercury
+c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O	31R	3-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)propanoic acid
+c1ccc(cc1)c2ccc(cc2)/C(=C\C(=O)O)/CCc3ccc(cc3)Cl	31S	(2z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid
+c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC4=NNC(=O)C(=C4)O	31T	4-hydroxy-6-[2-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)ethyl]pyridazin-3(2h)-one
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N)\N	31U	d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+Cc1cn(cn1)c2ccc(cc2OC)c3cn(nn3)CC(=O)Nc4cc(nn4c5ccccc5)C6CC6	31V	n-(3-cyclopropyl-1-phenyl-1h-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1h-imidazol-1-yl)phenyl]-1h-1,2,3-triazol-1-yl}acetamide
+c1cc(cc(c1)c2nccs2)CN(C3CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F	31W	1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
+c1ccc(cc1)c2nc(no2)Cn3c4ccnc(c4cc3C(=O)O)c5cccc6c5cccc6	31X	4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1h-pyrrolo[3,2-c]pyridine-2-carboxylic acid
+c1cc(cnc1)CNc2ccc3c(n2)c(ncn3)Nc4ccc(cc4)N5CCOCC5	31Y	n~4~-[4-(morpholin-4-yl)phenyl]-n~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O	31Z	2-(3-chlorophenoxy)-3-fluoro-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}benzoic acid
+c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc[nH]4)F	320	2-(4-fluorophenyl)-n-{[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide
+CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)C3)NS(=O)(=O)C	321	n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,4-benzothiazin-7-yl}methanesulfonamide
+CCOc1cc(c(c(c1O)Br)Br)C[C@@H]2C(=O)N(C(=S)S2)CC(=O)O	322	[(5r)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)[O-])C=O	323	2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F	324	n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
+CCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cccnc4)F	325	n-{2,4-difluoro-3-[(5-pyridin-3-yl-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide
+Cc1cc(ccc1n2c(c(c(n2)C)/N=N/c3cc(ccc3C(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	326	2-{(e)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1h-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid
+[H]/N=C/1\c2c(ccs2)OC[C@@H](N1)CCC	327	(3s,5e)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2h)-imine
+COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N	328	4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile
+C[C@H]1CN=C(c2c(ccs2)O1)N	329	(2s)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
+CCCCC#Cc1ccc(o1)C(=O)NNC(=S)NC	32A	2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-n-methylhydrazinecarbothioamide
+CC[C@H](c1ccc(c(c1OC)Oc2cccc(c2)Cl)C(=O)O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C	32B	2-(3-chlorophenoxy)-3-methoxy-4-{(1r)-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]propyl}benzoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O	32C	2-(3-chlorophenoxy)-3-fluoro-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
+c1cc(cc(c1)[C@@]2(c3cccc(c3C(=N2)N)F)c4ccnc(c4)C(F)F)c5cncnc5	32D	(1s)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1h-isoindol-3-amine
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O	32E	2-(3-chlorophenoxy)-3-fluoro-4-{(1s)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O	32F	2-[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenoxy]ethanoic acid
+c1c(nnn1CCCCn2cnc3c2ncnc3N)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5	32G	(3as,4s,6ar)-4-(5-{1-[4-(6-amino-9h-purin-9-yl)butyl]-1h-1,2,3-triazol-4-yl}pentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one
+c1cc(ccc1c2c3c(sc2Br)NC(=O)C(=C3O)C#N)Br	32H	2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2OC)OC)N3CCCCCC3)N	32I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide
+c1ccc(c(c1)c2ccc(cc2)c3c4c(sc3Cl)NC(=O)C(=C4O)C#N)O	32J	2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3OC)Oc4cccc(c4)Cl)C(=O)O	32K	2-(3-chlorophenoxy)-3-methoxy-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}benzoic acid
+CCOC(=O)C[C@@H]([C@H](CC(C)C)N)O	32L	ethyl (3s,4s)-4-amino-3-hydroxy-6-methylheptanoate
+CCCCCCCCOCCOCCOCCOCCOCCOCCO	32M	3,6,9,12,15,18-hexaoxahexacosan-1-ol
+C([C@H]1[C@@H]([C@@H]([C@H](O1)O)O)O)O	32O	beta-l-ribofuranose
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)OS(=O)(=O)Cc3ccccc3)OCC(=O)NCCCCCN	32P	3-{2-[(5-aminopentyl)amino]-2-oxoethoxy}-5-({[1-(4-fluorophenyl)ethyl]amino}carbonyl)phenyl phenylmethanesulfonate
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccc(cc2)CN)C(=O)O)O	32Q	(2s)-2-[4-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@H](Cc2ccc(cc2)CN)C(=O)O)O	32R	(2r)-2-[4-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
+c1c[se]c2c1[nH]cc2C[C@@H](C(=O)O)N	32S	(s)-2-amino-3-(4h-selenolo[3,2-b]-pyrrol-6-yl)-propionic acid
+c1csc2c1[nH]cc2C[C@@H](C(=O)O)N	32T	(s)-2-amino-3-(4h-thieno[3,2-b]-pyrrol-6-yl)-propionic acid
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)C(=[NH2+])N)N	32U	d-phenylalanyl-n-{4-[amino(iminio)methyl]benzyl}-l-prolinamide
+CCN1C(=O)c2c(c(cs2)C#C)N=C1NC3CCCC3	32V	2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3h)-one
+COCCNC(=O)c1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4	32W	n-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
+c1cc2c(c(c1)N)CC=NC2=O	32X	5-aminoisoquinolin-1(4h)-one
+c1cc2c(c(c1N)I)C=CC(=O)O2	32Y	6-amino-5-iodo-2h-chromen-2-one
+c1cc2c(c(c1)OCCCCN3CCCCC3)CCNC2=O	32Z	5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2h)-one
+COc1ccccc1c2cc3c(c4cc(ccc4n3CCCO)O)c5c2C(=O)NC5=O	330	9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione
+CCCCCCCN(CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)C(=O)Nc2ccc(cc2F)F	331	(2s)-2-(4-[2-(3-[2,4-difluorophenyl]-1-heptylureido)ethyl]phenoxy)-2-methylbutyric acid
+c1cc2c(cc1OC[C@@H]3COc4ccsc4C(=N3)N)CNCC2	332	(3r)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
+c1cc(ccc1n2ccnc2)Oc3nccc(n3)Oc4ccc5c(c4)OCO5	333	4-(1,3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]pyrimidine
+Cc1cc(c(c(c1)Br)[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N	334	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-bromo-4-methylbenzenolate
+c1ccc(cc1)C(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4	335	[4-(2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl](difluoro)methylphosphonic acid
+c1c(cc(c2c1CCc3cc(cnc3[C@@H]2C4CCN(CC4)C(=O)CC5CCN(CC5)C(=O)N)Br)Br)Cl	336	4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide
+Cc1ccc(cc1n2cc(nn2)C(=O)NCc3ccccc3)C(=O)Nc4cc(cc(c4OC)NS(=O)(=O)C)C(C)(C)C	337	n-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1h-1,2,3-triazole-4-carboxamide
+c1cc2c(cccc2O)c(c1)c3nc4ccc(cc4o3)O	338	2-(5-hydroxy-naphthalen-1-yl)-1,3-benzooxazol-6-ol
+CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)N)C(=O)c1nccs1)NC(=O)[C@H](CCCNC(=O)N)NC(=O)N[C@H](C)c2ccc(cc2)Br	339	(s)-2-(3-((r)-1-(4-bromophenyl)ethyl)ureido)-n-((s)-1-((s)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-5-ureidopentanamide
+c1ccc(cc1)CNC(=O)c2cc(c[nH]2)c3c(c[nH]n3)c4cccc(c4)Cl	33A	n-benzyl-4-[4-(3-chlorophenyl)-1h-pyrazol-3-yl]-1h-pyrrole-2-carboxamide
+c1cc(c(cc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl	33B	3,3'-(e)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}
+c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O	33C	4-[(3ar,4r,7s,7as)-1,3-dioxooctahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide
+CC(C)(C)CCO	33D	3,3-dimethylbutan-1-ol
+c1cc(c(cc1C(=O)N)[N+](=O)[O-])I	33E	4-iodo-3-nitrobenzamide
+CC[C@H](C)NC(=O)c1ccc(nn1)N2CCN([C@H](C2)C(=O)NCc3ccc(cc3)OC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC(F)(F)F	33F	n-[(2s)-butan-2-yl]-6-[(3r)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4cccc(c4)F)C#N)C5CCC5)C#N)N	33G	(4s)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
+C[C@H](C[C@@H]1C(=O)N([C@@H](CO1)C2CCCCC2)c3cc(sc3C(=O)O)C#CC(C)(C)C)O	33H	3-{(2r,5r)-5-cyclohexyl-2-[(2r)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid
+CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4)Cl)C(=O)N2)N	33I	6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1ccc(cc1)c2cc(c(s2)C(=O)O)N3[C@H](CCC3=O)C4CCCCC4	33J	3-[(2r)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid
+c1ccc(cc1)CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)CC(=O)O	33K	n-benzyl-n-(carboxymethyl)glycyl-l-histidine
+c1ccc(cc1)C[C@@H](C(=O)NCCN)NC(=O)c2ccccc2	33L	n-(2-aminoethyl)-nalpha-benzoyl-l-phenylalaninamide
+CN(c1cccc2c1cccc2)c3cc4c(nc(nc4nc3)N)N	33M	n~6~-methyl-n~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
+c1ccc(cc1)C(CCNC(=O)c2cccnc2)c3ccccc3	33N	n-(3,3-diphenylpropyl)pyridine-3-carboxamide
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	33O	3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H](C)OP(=O)(O)O)O	33P	{3-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-propyl}-phosphonic acid
+c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(c(c3)Cl)Cl)/C(=O)O)N(=O)=O	33R	(2e)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
+c1cc(cc(c1)I)C[C@@H](C(=O)O)N	33S	3-iodo-l-phenylalanine
+C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F	33T	3-chloro-4-({(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(c3ccccc3)c4ccccc4)N)\N	33U	beta-phenyl-d-phenylalanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+C1CSCN2[C@@H]1C[C@@H](N2)[C@@H]3[C@H](CN[C@@H](CS3)C(=O)O)CO	33V	(3r,6r,7s)-7-[(2r,3ar)-hexahydropyrazolo[1,5-c][1,3]thiazin-2-yl]-6-(hydroxymethyl)-1,4-thiazepane-3-carboxylic acid
+c1cc(sc1C[C@@H](C(=O)O)N)Br	33W	3-(5-bromothiophen-2-yl)-l-alanine
+C[C@H](C(=O)O)NC	33X	n-methyl-d-alanine
+CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F	33Y	1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
+[H]/N=C(/N)\Nc1cccc(c1)[C@H](C[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)O	33Z	(2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(r)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl]propanoic acid
+Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3	340	5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione
+c1c(cc(cc1F)F)CO	341	(3,5-difluorophenyl)methanol
+c1cc(ccc1n2ccnc2)O[C@H]3CCC[N@@](C3)Cc4ccc5c(c4)OCO5	342	(3s)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1h-imidazol-1-yl)phenoxy]piperidine
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)OCc3ccccc3)O	343	(2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-tyrosyl}amino)-2-methylpropyl](hydroxy)phosphoryl]oxy}acetic acid
+c1c2c(cc3c1nc[nH]3)N=C(NC2=O)N	344	6-amino-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one
+c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO	345	4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-4-methyl-tetrahydro-pyran;compound with n-hydroxy-acetamide
+[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)O[C@@H]3CCOC3)OCC)C(=O)O)/N	346	(r)-(4-carbamimidoyl-phenylamino)-[5-ethoxy-2-fluoro-3-[(r)-tetrahydro-furan-3-yloxy]-phenyl]-acetic acid
+CC#CCNc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO	347	tert-butyl 4-({[4-(but-2-yn-1-ylamino)phenyl]sulfonyl}methyl)-4-[(hydroxyamino)carbonyl]piperidine-1-carboxylate
+[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)OC)C(C)C)/N	348	4-[(1r,3as,4r,8as,8br)-1-isopropyl-2-(4-methoxybenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
+c1ccc(c(c1)CNc2c(cnc(n2)NC3=CC4=CC(=O)N=C4C=C3)C(F)(F)F)S(=O)(=O)N5CCCC5	349	5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2h-indol-2-one
+Cc1ccc(cc1C)N	34A	3,4-dimethylaniline
+[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612Cc1c(nc(nc1N)N)C	34B	2,4-diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine
+CCCOc1ccc(cc1Cl)CC(=O)O	34C	(3-chloro-4-propoxy-phenyl)-acetic acid
+c1c(cc(cc1O)O)C(=O)O	34D	3,5-dihydroxybenzoate
+C[C@H](CN1CCN(CC1)CCOC)[C@@H](C(=O)O)NC	34E	(3r)-4-[4-(2-methoxyethyl)piperazin-1-yl]-n-methyl-l-valine
+c1cc(c(cc1[C@H](CCN(C=O)O)P(=O)(O)O)Cl)Cl	34F	(1s)-1-(3,4-dichlorophenyl)-3-[formyl(hydroxy)amino]propyl}phosphonic acid
+CC[C@@H]1CN2CCc3cc(c(cc3[C@H]2C[C@H]1C[C@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC	34G	emetine
+c1cc(ccc1C[C@H](C(=O)O)O)O	34H	(2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
+c1ccc2c(c1)CCC(=O)N2CC(=O)Nc3c(c(cs3)C#N)c4[nH]ncn4	34I	n-[4-cyano-3-(1h-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2h)-yl)acetamide
+c1cc(c(cc1C[C@@H](C(=O)O)NNc2nc(cs2)c3ccc(c(c3)Cl)Cl)N(=O)=O)N	34J	(2s)-3-(4-amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinyl}propanoic acid
+c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(cc3)Br)/C(=O)O)N(=O)=O	34K	(2e)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
+c1cc2c(c3c1ncs3)/C(=C/c4cnc[nH]4)/C(=O)N2	34L	(8z)-8-(1h-imidazol-5-ylmethylidene)-6,8-dihydro-7h-[1,3]thiazolo[5,4-e]indol-7-one
+Cc1nnc(n1c2ccc(cc2)OC)SCc3nc(no3)c4ccc(cc4)OC	34M	3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
+CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c2ccc(cc2)C#N)c3ccc(cc3)F	34N	4-cyano-n-{(3s)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide
+COc1ccc(cc1F)CSc2nnc(o2)c3ccc4c(c3)OCO4	34O	2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole
+[H]/N=C(/c1csc(n1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N	34P	n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({4-[(e)-amino(imino)methyl]-1,3-thiazol-2-yl}methyl)-l-prolinamide
+c1ccc2c(c1)ncc(n2)C(=O)N3C[C@H]([C@H](C3)N)C(=O)N4CCCC4	34Q	(3r,4r)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@@H](c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N	34R	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-phenylphthalazin-2(1h)-yl]prop-2-en-1-one
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N	34S	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-phenylphthalazin-2(1h)-yl]prop-2-en-1-one
+C[C@@H]1Cc2cccc(c2NC1)S(=O)=O	34T	(3r)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline
+COCCOc1ccc2c(c1)ncn2c3ccc4cccc(c4n3)N5CCC(CC5)N	34U	1-{2-[5-(2-methoxyethoxy)-1h-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine
+C1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O	34V	beta-l-ribulofuranose
+CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F	34W	n-{2-[(1s,4r)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide
+c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccccc3F	34X	1-(2-amino-4-phenylimidazol-1-yl)-3-(2-fluorophenyl)urea
+Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	34Y	4-[(4-methylpiperazin-1-yl)methyl]-n-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1h-pyrazol-5-yl}benzamide
+c1cc(c(cc1C(=O)O)Cl)Cl	34Z	3,4-dichlorobenzoate
+c1ccc(cc1)Oc2ccccc2NC(=O)Nc3cccc(c3)c4c[nH]c5c4cc(cn5)c6ccc(cc6)CN	351	1-(3-{5-[4-(aminomethyl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea
+C[C@@H](c1ccc(cc1)F)NC2=NC(=O)[C@](S2)(C)C(C)(C)O	352	(5s)-2-{[(1s)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5h)-one
+CCOC1=C(C(=O)N(C=C1)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4Cl)N	353	n-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
+c1cc(ccc1C(N[C@@H](CCC(=O)O)C(=O)O)O)NS(c2ccc3c(c2)c(nc(n3)N)O)(O)O	354	n-[(s)-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl)(hydroxy)methyl]-l-glutamic acid
+CC1=CC=CC2=NC(=CC(=O)N12)CN3c4ccccc4C(=O)N(C3=O)CC5CCC(CC5)C(=O)NCc6ccccc6	355	trans-n-benzyl-4-({1-[(6-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl}methyl)cyclohexanecarboxamide
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)Cc4nc(c5ccccc5n4)C)C	356	8-[(3r)-3-aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1h-purine-2,6-d ione
+CCC1=C(NC(=O)C(=C1Cc2cccc(c2)C)[N@@](C)CCOC)C	357	5-ethyl-3-[(2-methoxyethyl)methylamino]-6-methyl-4-(3-methylbenzyl)pyridin-2(1h)-one
+c1cc(c(c(c1)Cl)N2c3cc(cc(c3CCC2=O)c4ccc(cc4F)F)C5CCNCC5)Cl	358	1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperidin-4-yl-3,4-dihydroquinolin-2(1h)-one
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cc(cc3)OCc4cccc(c4)C(=O)O)NS(=O)(=O)CC)\N	359	3-[[3-[(2r)-3-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1h-indol-5-yl]oxymethyl]benzoic acid
+C[C@@H]1CCc2cccc(c2)C[C@@](C(=O)OCc3cc(nc(c3)[N@](C)S(=O)(=O)C)CC1)(C)N	35A	n-[(5r,14r)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-n-methylmethanesulfonamide
+CNC(=O)N(c1cccc(c1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)C3CCCCC3	35B	4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid
+c1c(cc(c(c1O)O)Cl)Cl	35C	3,5-dichlorobenzene-1,2-diol
+CC(=O)N1CCC(CC1)c2c(nc3ccccc3n2)OC4CN(C4)c5ccc6ccccc6n5	35D	1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone
+c1ccc2c(c1)ccc(n2)N3CC(C3)Oc4c(nccn4)N5CCC(CC5)CO	35E	[1-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}pyrazin-2-yl)piperidin-4-yl]methanol
+c1cc(cc(c1)NC(=O)c2ccco2)c3c4cc(ccc4[nH]n3)c5nc[nH]n5	35F	n-{3-[5-(1h-1,2,4-triazol-3-yl)-1h-indazol-3-yl]phenyl}furan-2-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N	35G	guanosine-3',5'-monophosphate
+CN(Cc1ccc(cc1)[C@@H](CO)O)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3	35H	n-{4-[(1s)-1,2-dihydroxyethyl]benzyl}-n-methyl-4-(phenylsulfamoyl)benzamide
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N	35I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(3,3,3-trifluoropropyl)phthalazin-2(1h)-yl ]prop-2-en-1-one
+c1cc(cnc1)CNC=S	35J	n-(pyridin-3-ylmethyl)thioformamide
+c1cc2c(cc1CC[C@@H](C(=O)O)N)NC(=O)C(=O)N2	35K	(2s)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid
+c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O	35M	2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
+c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4	35N	copper(ii) tetrapyrrole 
+C[C@H](C(=O)Nc1ccc(cc1)OC)NC2=NC(=O)c3cnn(c3N2)C4CCCC4	35O	n~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl)-n-(4-methoxyphenyl)-d-alaninamide
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)COc2ccccc2)C(=O)O)C	35P	(2r,4s)-5,5-dimethyl-2-{(1r)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid
+CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cccc(c4)CN5CCOCC5	35Q	n-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
+c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5	35R	1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1h-benzimidazol-2-yl]-1h-pyrazol-4-yl}urea
+CC[C@@H](c1cccc(n1)C2CC2)N3[C@@H]([C@H](C[C@](C3=O)(C)CC(=O)O)c4cccc(c4)Cl)c5ccc(cc5)Cl	35S	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
+C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)N2CCCC2)C3CC3)c4ccc(cc4)Cl)c5cccc(c5)Cl)CC(=O)O	35T	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
+COc1cc(ccc1OCCS)CCNC[C@@H](c2ccc(c(c2)O)O)O	35V	4-[(1r)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol
+c1ccc(cc1)Cn2cc(cn2)c3c[nH]c4c3nc(cn4)c5ccncc5	35W	7-(1-benzyl-1h-pyrazol-4-yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine
+CCCn1cc(cn1)c2c[nH]c3c2nc(cn3)c4ccncc4	35X	7-(1-propyl-1h-pyrazol-4-yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine
+C([C@@H](C(=O)O)N)NC(=O)c1[nH]nnn1	35Y	3-[(1h-tetrazol-5-ylcarbonyl)amino]-l-alanine
+COc1cccc(c1)c2nccc(n2)c3cc4c([nH]3)C5(CCN(CC5)C(=O)C=C)CNC4=O	35Z	2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{h}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
+c1cncc2c1n3c(n2)C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F	361	(7r,8r)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine
+c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4	362	2-(1h-pyrazol-4-yl)-7-(pyridin-3-yl)-5h-pyrrolo[2,3-b]pyrazine
+c1c[nH]c2c1nc(cn2)c3c[nH]nc3	363	2-(1h-pyrazol-4-yl)-5h-pyrrolo[2,3-b]pyrazine
+c1ccc(cc1)c2cccc(c2)c3ccc[n+](c3)CC(O)(P(=O)(O)O)P(=O)(O)O	364	3-biphenyl-3-yl-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium
+[B-]12(c3c(cccc3OCCCO)[C@H](O1)CN)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	365	[(1s,5r,6r,7's,8r)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate
+[H]/N=C(/c1ccc2cccc(c2c1)NC(=O)c3cccc(c3)S(=O)(=O)OCCCO)\N	367	3-hydroxypropyl 3-[({7-[amino(imino)methyl]-1-naphthyl}amino)carbonyl]benzenesulfonate
+[H]/N=C(/N)\NC[C@@H](c1ccc(cc1)B2OC[C@H](O2)CO)OC(=O)c3cccnc3	368	(1r)-2-{[amino(imino)methyl]amino}-1-{4-[(4r)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl nicotinate
+Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O	369	5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol
+c1cc(cc(c1)Cl)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCC[C@@H](C(=O)O)N)O)O	36A	(s)-2-amino-4-(((2s,3s,4r,5r)-5-(6-(3-chlorobenzylamino)-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid
+c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)F	36C	3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+CCC[C@@H](C(=O)O)NC(=O)[C@@H]([C@H](Cc1cccs1)N)O	36D	n-[(2r,3s)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-l-norvaline
+c1ccc2c(c1)[nH]c(n2)C(F)(F)F	36E	2-(trifluoromethyl)-1h-benzimidazole
+Cc1ccc2c(c1)N(C(=O)O2)CCCCn3cc(nn3)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5	36F	5-methyl-3-[4-(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3h)-one
+COc1ccccc1NC(=O)N2CCCc3c2cccc3	36G	n-(2-methoxyphenyl)-3,4-dihydro-2h-quinoline-1-carboxamide
+Cc1cnc(nc1c2cnn(c2)C(C)C)Nc3ccc(c(c3)F)N4CCC(CC4)N(C)CCO	36H	2-((1-(2-fluoro-4-((4-(1-isopropyl-1h-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol
+c1ccc(cc1)c2nc3ccsc3c(n2)N4CCOCC4	36I	4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine
+C[C@H]1CCC[C@@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O	36J	(3s,7r,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one
+CCn1c2ccccc2nc1NC(=O)Nc3ccccc3OC	36K	1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea
+Cc1nc(co1)/C=C(\C)/C=C/C=C(\C)/[C@@H]([C@@H](C)[C@@H]2C[C@@H]([C@@]3([C@H](O3)/C=C/[C@H]([C@H]4C[C@@H](C/C=C/C(=O)O2)CC(=O)O4)C)C)O)OC	36L	(1r,2r,3e,5r,7r,8s,10s,13e,16r)-8-hydroxy-10-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione
+CCCOC(=O)c1ccc(cc1)O	36M	propyl 4-hydroxybenzoate
+c1c[nH]c2c1nccn2	36N	5h-pyrrolo[2,3-b]pyrazine
+c1[nH]c2c(n1)c(ncn2)NC3CCCCC3	36O	n-cyclohexyl-9h-purin-6-amine
+c1ccc2c(c1)CCN2C(=O)c3csc(n3)c4ccsc4	36P	2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
+c1ccc(cc1)C[C@@H](CO)Nc2c3c([nH]cn3)ncn2	36Q	(2s)-3-phenyl-2-(9h-purin-6-ylamino)propan-1-ol
+c1cc2c(cc1Cl)nc(o2)N	36R	5-chloro-1,3-benzoxazol-2-amine
+CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)Cl	36S	2-{4-[3-chloro-2-(2-methoxyphenyl)-1h-indol-5-yl]piperidin-1-yl}-n-methylethanamine
+c1ccc(c(c1)SC2=C(C[C@@H](CC2=O)c3c(cccc3Cl)Cl)O)Cl	36U	(5s)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one
+c1ccc(cc1)C2CC(=O)C(C(=O)C2)Sc3ccccc3[N+](=O)[O-]	36V	trans-2-[(2-nitrophenyl)sulfanyl]-5-phenylcyclohexane-1,3-dione
+CN1C2=C(CCC2)C(=N)C3=C1CCC3	36X	4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1h)-imine
+c1cc(ccc1c2c[nH]cn2)Br	36Y	4-(4-bromophenyl)-1h-imidazole
+Cc1c(c(on1)C)c2cc(cc(c2)N)C(=O)OC	36Z	methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
+Cc1c(c(n[nH]1)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5	370	4-[(2-{5-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine
+Cc1cc2c(c(c1)N3CCCS3(=O)=O)OC(=C(C2=O)O)c4ccc(c(c4)O)O	371	2-(3,4-dihydroxyphenyl)-8-(1,1-dioxidoisothiazolidin-2-yl)-3-hydroxy-6-methyl-4h-chromen-4-one
+CC(=O)Nc1ccc2c(c1)[C@H](C(=O)N2C)CC#N	372	n-[(3r)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1h-indol-5-yl]acetamide
+c1ccc2c(c1)C=C(C(=O)N2)c3cc4cc(ccc4[nH]3)CN5CCC(CC5)CN	373	3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)quinolin-2(1h)-one
+C[C@@H]1CN(C[C@H](N1C(=O)c2ccc(cc2F)OC)C)C(=O)c3ccc(cc3F)OC	374	(2-fluoranyl-4-methoxy-phenyl)-[(3~{r},5~{r})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
+c1ccc2c(c1)cccc2NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	376	n-[(naphthalen-1-ylamino)(oxo)acetyl]-beta-d-glucopyranosylamine
+C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C	377	memantine
+CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2cccs2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O	378	methyl ~{n}-[(2~{s})-3,3-dimethyl-1-[2-[(4~{r})-5-[[(2~{s})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate
+c1ccc(cc1)C[C@H](CP(=O)([C@H](CCc2cccnc2)N)O)C(=O)O	379	3-{[(r)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(s)-2-benzylpropanoic acid
+c1ccc(cc1)c2ccc(cc2)CNC(=O)[C@H]3[C@@H]4CN(C[C@@H](O4)O3)C(=O)NO	37A	(1s,5s,7r)-n~7~-(biphenyl-4-ylmethyl)-n~3~-hydroxy-6,8-dioxa-3-azabicyclo[3.2.1]octane-3,7-dicarboxamide
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O	37B	(2s)-3-[(s)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
+Cc1c(c([nH]n1)c2ccco2)C(=O)OC	37D	methyl 5-furan-2-yl-3-methyl-1h-pyrazole-4-carboxylate
+C1CCC(CC1)NC[C@H](N)P(=O)(O)O	37E	[(1r)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid
+CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cc5ccccc5nc4	37F	n-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)[nH]cc5C(=O)O	37G	6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1h-indole-3-carboxylic acid
+[H]/N=C(/N)\NC[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	37H	(5s)-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-n~6~-carbamimidoyl-l-lysine
+CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4ccnc(c4Cl)NC)N	37I	4-[6-(4-amino-4-methylpiperidin-1-yl)-1h-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-n-methylpyridin-2-amine
+c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F)OC(F)(F)F	37J	2-{[2-(trifluoromethoxy)benzoyl]amino}-n-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@H](c5cc(c(c(c5)OC)OC)OC)[C@H]6CCCC=C6	37K	(1r)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2s)-1-[(2s)-2-[(1s)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](CC=C)c4cc(c(c(c4)OC)OC)OC	37L	(3-{(1r)-3-(3,4-dimethoxyphenyl)-1-[({(2s)-1-[(2s)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)NCc3c(ccc4c3OC5=CC(=O)C=CC5=C4c6ccccc6C(=O)O)O)OC(=O)[C@@H]7CCCCN7C(=O)[C@H](c8cc(c(c(c8)OC)OC)OC)[C@H]9CCCC=C9	37M	2-(5-{[({3-[(1r)-1-[({(2s)-1-[(2s)-2-[(1s)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid
+Cc1c(c(on1)C)c2cc(cc(c2)NS(=O)(=O)c3ccccc3)C(=O)O	37N	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid
+CCC(=O)Nc1ccc(cc1)CN2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)CN(C2=O)c6cc(cc(c6)OC)OC	37O	n-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]methyl}phenyl)propanamide
+c1cc2c(cc1O)OC3=CC(=O)C(=CC3=N2)CCCCC(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@H](O4)n5cnc6c5ncnc6N)O)O	37P	5'-o-{[5-(7-hydroxy-3-oxo-3h-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine
+C=CC(=O)Nc1ccc2c(c1)n(cn2)c3cncc(n3)Nc4ccccc4	37Q	n-{1-[6-(phenylamino)pyrazin-2-yl]-1h-benzimidazol-6-yl}prop-2-enamide
+c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O	37R	5-(3,7-dihydroxy-10h-phenoxazin-2-yl)pentanamide
+Cn1cnc2c1C(=O)NC(=O)N2C	37T	theobromine
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)F)N	37U	d-phenylalanyl-n-(3-fluorobenzyl)-l-prolinamide
+c1ccc2c(c1)nc(s2)CNC(=O)c3ccc(cc3OCC(=O)O)F	37V	{2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid
+Cc1ccc(cc1C)c2c(sc(c2C(=O)N)NC(=O)CCCC(=O)O)C	37W	5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid
+CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O	37X	octyl glucose neopentyl glycol 
+C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3	37Y	n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide
+C(CCNCCCCN)CN	37Z	sym-homospermidine
+COc1ccc(cc1OC)[C@H](C(=O)NCc2ccccc2)Nc3ccc(cc3)C(=N)N	380	(2r)-2-({4-[amino(imino)methyl]phenyl}amino)-n-benzyl-2-(3,4-dimethoxyphenyl)acetamide
+C1CCC(CC1)CP(=O)(CCCN)O	381	(s)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid
+c1ccc(c(c1)Cc2nc3c(o2)ccnc3NCC([C@H]4CCCCN4)(F)F)n5cncn5	382	(r)-2-(2-(1h-1,2,4-triazol-1-yl)benzyl)-n-(2,2-difluoro-2-(piperidin-2-yl)ethyl)oxazolo[4,5-c]pyridin-4-amine
+c1cc(ccc1C[C@@H](C(=O)N[C@@H]([C@H]2[C@@H]([C@@]3(CO[C@@H]([C@@H]3O)[N@@]2O)O)O)C(=O)O)N)O	383	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (2,4,5,8-tetrahydroxy-7-oxa-2-aza-bicyclo[3.2.1]oct-3-yl)- acetic acid
+COCCN1C[C@@H]([C@H]2CCC[C@@H](C1=O)N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)OCCOC	384	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
+Cc1nc(cs1)COc2ccc(cc2)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)O)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6	385	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzyl}propyl]carbamate
+c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc5c(cc4n3)OC(O5)(F)F)OC(F)(F)F	386	n-(2,2-difluoro-5h-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide
+c1cc(cc(c1)O)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl	387	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br	388	(2-{[(4-bromo-2-fluorobenzyl)amino]carbonyl}-5-chlorophenoxy)acetic acid
+C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(c2ccccc2)c3ccccc3)N	389	l-alanyl-l-valyl-n-(2,2-diphenylethyl)-l-prolinamide
+Cc1c(c(c(c(c1CO)C)CO)C)CO	38A	(2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol
+CC1=Nc2c(c(no2)c3ccccc3OC)C(=O)N1	38B	3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5h)-one
+COc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O	38C	3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+c1cc(c(cc1C(=O)N/N=C/c2ccc(cc2Cl)Cl)O)O	38D	n'-[(e)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide
+CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1C	38E	(5z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one
+Cc1ccc(cc1C)OC[C@H](CNC2Cc3ccccc3C2)O	38F	(2s)-1-(2,3-dihydro-1h-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
+CN(C)CCN[C@@H](c1cccc(c1)c2cnc3n2nc(cc3)c4ccc(c(c4)OC)O)O	38G	4-(3-{3-[(r)-{[2-(dimethylamino)ethyl]amino}(hydroxy)methyl]phenyl}imidazo[1,2-b]pyridazin-6-yl)-2-methoxyphenol
+c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O	38H	2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1h)-yl]-5-{3-[4-(1h-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid
+[B-](CCCC[C@@](C1C[C@H]2CC[C@@H](C1)N2Cc3ccc(c(c3)Cl)Cl)(C(=O)O)N)(O)(O)O	38I	{(5r)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	38J	alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-beta-d-glucopyranose
+COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)S(=O)(=O)N	38K	3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid
+c1cc(c(c(c1)O)[N+](=O)[O-])O	38L	2-nitrobenzene-1,3-diol
+CCCC[C@@H](C(=O)N1CCC[C@@]2(C1)CCCNC2)SC3=Nc4ccccc4C(=O)N3c5cccc(c5)Cl	38M	3-(3-chlorophenyl)-2-({(1s)-1-[(6s)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3h)-one
+C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3	38N	n-(morpholin-4-ylacetyl)-l-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide
+CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)C4=C(c5c(cccc5F)NC4=O)N	38O	4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]quinolin-2(1h)-one
+CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NC4CC4	38P	4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-n-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)C(=O)N	38Q	3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid
+c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc(n[nH]3)C4CCCC4	38R	[4-({4-[(3-cyclopentyl-1h-pyrazol-5-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO	38S	1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	38T	5-methyluridine
+CC1=C(Cc2c1cccc2)C(=O)O	38U	3-methyl-1h-indene-2-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)O)N	38V	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3-[[(2r,3s,4r,5r)-5-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
+CC(C)(C)Nc1nnc(o1)c2ccc3c(c2)c(c[nH]3)c4nccc(n4)C5CC5	38W	n-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1h-indol-5-yl]-1,3,4-oxadiazol-2-amine
+CC1=C(Cc2c1cccc2)C(=O)N[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](CC5CCCCC5)C(=O)[C@H](C)CO	38X	n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-l-tryptophanamide
+B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)O[C@H](CN)c5cc(ccc5Br)OCC	38Y	3-(aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3h)-ol-modified adenosine
+c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7	38Z	(3r)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-n-[3-(pyridin-4-yl)-2h-indazol-5-yl]pyrrolidine-3-carboxamide
+Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl)Nc4ccc(cc4Cl)F	390	4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-1h-pyrrole-2-carboxamide
+Cc1cc(nc(n1)Oc2ccc(cc2)n3ccnc3)Oc4ccc5c(c4)OCO5	391	4-(1,3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]-6-methylpyrimidine
+c1ccc(c(c1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl)O	392	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea
+c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl	393	(5-chloro-2-{[(3-nitrobenzyl)amino]carbonyl}phenoxy)acetic acid
+CC1(CCC(c2c1ccc(c2)[C@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C	394	r-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid
+CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C	395	s-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid
+Cn1c2cc(c3c(c2c4c1cc(c(c4)O)C(=O)NCCN5CCCC5)C(=O)NC3=O)c6ccccc6Cl	396	4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-n-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide
+c1cc(ccc1c2cc3cc(ccc3o2)O)O	397	2-(4-hydroxy-phenyl)benzofuran-5-ol
+CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl	398	n,n-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1h-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide
+Cn1cnc2c1[n+](cnc2N)C	39A	6-amino-3,9-dimethyl-9h-purin-3-ium
+[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@H]54)Cc1c(nc(nc1N)N)C	39B	(s)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine
+C[C@H](CO)C(=O)[C@H](Cc1ccccc1)N	39C	(2s,4r)-2-amino-5-hydroxy-4-methyl-1-phenylpentan-3-one
+c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc(cc3)C(=O)N)NC(=O)C4CCC(CC4)CN	39D	4-{2-[(1s)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1h-imidazol-4-yl}benzamide
+[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@@H]54)Cc1c(nc(nc1N)N)C	39E	(r)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine
+c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)n[nH]c4N)Cl)NC(=O)C5CCC(CC5)CN	39F	trans-n-{(1s)-1-[4-(3-amino-2h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide
+CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(ccc3C)S(=O)(=O)N(C)C	39G	n-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1h-pyrazole-4-carboxamide
+CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)c5c(o4)CCCC5	39H	2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide
+c1ccc(cc1)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CC5	39I	~{n}4-(3-cyclopropyl-1~{h}-pyrazol-5-yl)-~{n}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
+CC[C@@H](C(=O)O)Cl	39J	(2s)-2-chlorobutanoic acid
+CC(C)CN(Cc1ccc(s1)c2ccc(cc2)S(=O)(=O)C)S(=O)(=O)Cc3ccccc3	39K	n-(2-methylpropyl)-n-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide
+c1ccn2c(c1)ncc2CC(F)(P(=O)(O)O)P(=O)(O)O	39L	[1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	39N	beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose
+Cc1cc2c(cc1N)N(C(=O)N2C)C	39O	5-amino-1,3,6-trimethyl-1,3-dihydro-2h-benzimidazol-2-one
+CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)Nc4ccon4	39P	4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-n-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+C[C@H](CO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3	39Q	n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-o-methyl-l-tyrosinamide
+c1ccc(cc1)c2[nH]c(nn2)c3cccc(c3)N	39R	3-(5-phenyl-4h-1,2,4-triazol-3-yl)aniline
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N	39S	n-[4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid
+CC1(Cc2c(sc(n2)N)C(=O)NC1)C	39U	2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[5,4-c]azepin-4-one
+CC1=C(Cc2c1cccc2)C(=O)N[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)[C@H](C)CO	39V	n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-l-tryptophanamide
+CC(C)c1csc(n1)c2cc(c3ccc(c(c3n2)F)OC)O[C@H]4C[C@H]5C(=O)N(CCCC/C=C\[C@@H]6C[C@]6(NC(=O)N5C4)C(=O)NS(=O)(=O)C7(CC7)C)C	39W	(2s,3as,10z,11as,12ar)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-n-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12ah-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide
+c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3[nH]c4cc(ccc4n3)F)C(=O)O	39X	3-(6-fluoro-1h-benzimidazol-2-yl)-n-(naphthalen-2-ylcarbonyl)-d-alanine
+CC[C@H](C)C/C=C/C(=O)O	39Y	(2e,5s)-5-methylhept-2-enoic acid
+CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)O	39Z	5-hydroxy-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-2-one
+C[C@H]1CCN[C@@H](C1)C(=O)O	3A0	(2s,4s)-4-methylpiperidine-2-carboxylic acid
+C[C@H](C[P@](=O)([C@H](Cc1ccccc1)NC(=O)Cc2ccccc2)O)C(=O)NC(CCCCN)C(=O)N[C@H](CO)C(=O)O	3A1	n~2~-{(2s)-3-[(r)-hydroxy{(1r)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-l-lysyl-d-serine
+CCCCC(C(=O)O)NC(=O)C1CCCN1C(=O)CC[P@](=O)([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)CN)O	3A2	1-{3-[(r)-{(1r)-1-[(glycyl-l-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-l-prolyl-d-norleucine
+c1cc-2c(cc1OCC(=O)O)C(=NO)c3c2ccc(c3)OCC(=O)O	3A3	2,2'-{[9-(hydroxyimino)-9h-fluorene-2,7-diyl]bis(oxy)}diacetic acid
+c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@H]3CN[C@@H](Cc5cnc[nH]5)C=O	3A4	(2s)-2-({[(3s,4as,8ar)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
+C/C(=N\[C@@H](CC(=O)O)C(=O)OC)/C(=O)O	3A5	(2z,4s)-3-aza-5-carboxyl-2-methyl-4(methylcarboxy)pent-2-enoyl
+Cc1cc(ccn1)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)NS(=O)(=O)C)N	3A6	3-amino-6-fluoro-2-[4-(2-methylpyridin-4-yl)phenyl]-n-(methylsulfonyl)quinoline-4-carboxamide
+c1cc(ccc1C(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O)Br	3A7	(2s)-2-({[(3s,4ar,8as)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
+c1ccc(cc1)c2c3c([nH]n2)C(=O)N[C@H]3c4ccc(cc4)O	3A8	(4s)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1h)-one
+c1cc2c(cc1C(=O)O)CCO2	3A9	2,3-dihydro-1-benzofuran-5-carboxylic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)N	3AA	3-aminopyridine-adenine dinucleotide phosphate
+c1cc(cc(c1)N)C(=O)N	3AB	3-aminobenzamide
+CCC1=C(NC(=O)C(=C1Oc2cccc(c2)C=CC#N)I)C	3AC	(2e)-3-{3-[(5-ethyl-3-iodo-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)oxy]phenyl}acrylonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N	3AD	3'-deoxyadenosine
+c1cc(ccc1C(=O)O)C(F)(F)F	3AE	4-(trifluoromethyl)benzoic acid
+CCC[C@@H](C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)N[C@H](C)CCC)N	3AF	2,5-bis{[4-(2-pentyl)diaminomethyl]phenyl}furan
+CC(=CCC[N@](C)CCO[P@](=O)([O-])OP(=O)([O-])[O-])C	3AG	2-[methyl-(4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate
+c1c(ncn1c2[nH]nc(n2)N)C[C@@H](C(=O)O)N	3AH	[histidin-1-yl-4h-[1,2,4]triazol-5-yl]-amine
+CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](CCSC)NC[C@H](Cc1ccccc1)N	3AI	n-[(2s)-2-amino-3-phenylpropyl]-d-methionyl-l-alanyl-l-isoleucine
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCC4(CC4)C#N)O)C	3AJ	1-({[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile
+c1ccc(cc1)CN2c3ccccc3C(=O)C2=O	3AK	1-benzyl-1h-indole-2,3-dione
+[C@H]1(C(=O)NC(=O)N1)NC(=O)N	3AL	1-[(4s)-2,5-dioxoimidazolidin-4-yl]urea
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N	3AM	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N)O)N	3AN	3'-deoxy 3'-amino adenosine-5'-diphosphate
+CC(=O)c1cccc(c1)N	3AO	1-(3-aminophenyl)ethanone
+c1cc(c[nH+]c1)N	3AP	3-aminopyridine
+c1cc(ccc1CC#N)O	3AQ	(4-hydroxyphenyl)acetonitrile
+CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N	3AR	n-omega-propyl-l-arginine
+COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CC(C3)(F)F)c4ccc(cc4)O)O	3AS	(3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N	3AT	3'-deoxyadenosine-5'-triphosphate
+C1=CN(C(=O)N(C1=O)CC[C@@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3AU	3-[(3s)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate)
+Cc1ccc2c(c1)C=CC(=O)O2	3AV	6-methyl-2h-chromen-2-one
+Cc1nc(nc(n1)N)N	3AW	6-methyl-1,3,5-triazine-2,4-diamine
+c1cn[nH]c1N	3AX	1h-pyrazol-5-amine
+c1c(nc(nc1N)N)N	3AY	pyrimidine-2,4,6-triamine
+c1cc(cc(c1)C(=O)O)CN	3AZ	3-(aminomethyl)benzoic acid
+c1cc(ncc1C(F)(F)F)N	3B0	5-(trifluoromethyl)pyridin-2-amine
+c1ccc(cc1)[C@H](C#N)N2CCOCC2	3B1	(2r)-morpholin-4-yl(phenyl)ethanenitrile
+Cc1cc(no1)CSCc2cc(no2)CSCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	3B2	(14r)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate
+c1cc2c(ccc(c2nc1)NC[C@H](CN)O)[N+](=O)[O-]	3B3	(2s)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol
+c1ccc(c(c1)C(=O)O)NC2CCCCC2	3B4	2-(cyclohexylamino)benzoic acid
+CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC(=O)c4cccnc4)C(=O)NCCC[NH+](C)C	3B5	aik-18/51
+C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)I)C#N)O	3B6	(2s)-n-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O	3B7	beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose
+c1cc2c(cc1F)C(=O)c3cc(c(nc3O2)N)C(=O)N	3B8	2-amino-7-fluoro-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxamide
+CC(C)(CNC(=O)c1ccc(cc1)Oc2ccccc2)c3ccc4c(nc(nc4n3)N)N	3B9	n-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide
+CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)NCCc3c[nH]cn3	3BA	7-amino-2-tert-butyl-4-{[2-(1h-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide
+C=C(CCO)Br	3BB	3-bromobut-3-en-1-ol
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)N(C)C)C	3BC	tert-butyl [(1s)-1-({(1r,2s,5s)-2-[(3s,10s)-3-(cyclopropylmethyl)-12-methyl-4,5,8,11-tetraoxo-10-phenyl-2,6,9,12-tetraazatridecan-1 -oyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}carbonyl)-2,2-dimethylpropyl]carbamate
+CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)N3CCN(CC3)c4ncccn4	3BD	7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
+c1cc(cc(c1)Br)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	3BE	3-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
+CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3nc(cn3C)NC(=O)C)C(=O)NCCC[NH+](C)C	3BF	thiazotropsin b
+Cc1cc(c(cc1Oc2cc(nc(n2)N3CCN(CC3)C(=O)C)NCc4[nH]c5ccccc5n4)OC)OC	3BG	1-(4-{4-[(1h-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone
+c1nc(c2c(n1)n(c(n2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	3BH	(2r,3r,4s,5r)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
+C[N@](Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CC[P@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	3BI	(2s)-2-{[(r)-[(3r)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid
+c1ccc2c(c1)[nH]c(n2)CNc3nc(nc(n3)N4CCOCC4)Nc5ccc(cc5Cl)Cl	3BJ	n-(1h-benzimidazol-2-ylmethyl)-n'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
+c1cc(c(cc1CNc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl)Cl	3BK	(2r,3r,4s,5r)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
+c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@H]4CCCC[C@@H]4C[C@H]3CN[C@@H](Cc5cnc[nH]5)C=O	3BL	(2s)-2-({[(3s,4ar,8as)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
+c1cc(c(cc1I)Cl)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O	3BM	2-[(2-chloro-4-iodophenyl)amino]-n-{[(2r)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide
+CN(c1cc(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNC3CC3)O)C(=O)c4ccccc4)S(=O)(=O)C	3BN	3-benzoyl-n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]benzamide
+c1ccc2c(c1)c(c[nH]2)CC#N	3BO	1h-indol-3-ylacetonitrile
+CCS(=O)(=O)N[C@H](Cc1ccc(cc1)c2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N	3BP	2-(3-biphenyl-4-yl-2-ethanesulfonylamino-propionylamino)-pentanedioic acid 5-amide 1-(4-carbamimidoyl-benzylamide)
+c1cc2cnccc2cc1NC(=O)NCCC3(CCCCC3)CN	3BQ	1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea
+CCCBr	3BR	1-bromopropane
+CC1(CC(CC(N1O)(C)C)NC(=S)Nc2ccc(cc2Cl)S(=O)(=O)N)C	3BS	3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide
+[H]/N=C(\N)/SCCc1cccc(c1)CCSC(=N)N	3BT	2-{2-[3-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea
+C([C@@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O	3BU	l-allose
+C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3)O	3BV	n-{(2s)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-phenylalaninamide
+c1cc(ccc1Oc2ccc(cc2)Cl)SCC3(CCOCC3)C(=O)NO	3BW	4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-n-hydroxytetrahydro-2h-pyran-4-carboxamide
+c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)OCC4(CCOCC4)C(=O)NO	3BX	n-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2h-pyran-4-carboxamide
+CN1CCC[C@H]1C(=O)O	3BY	1-methyl-l-proline
+c1cc(cc(c1)Cl)C(=O)O	3BZ	3-chlorobenzoate
+C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)C	3C0	n-methyl scopolamine
+CCN1CNS(=O)(=O)c2c1ccnc2	3C1	4-ethyl-3,4-dihydro-2h-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
+CCN1CNS(=O)(=O)c2c1cccn2	3C2	4-ethyl-3,4-dihydro-2h-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide
+CCCn1c(nc(n1)C2=C(NON2)N)C3=C(NON3)N	3C3	4,4'-(1-propyl-1h-1,2,4-triazole-3,5-diyl)bis(2,5-dihydro-1,2,5-oxadiazol-3-amine)
+c1cc(c(cc1CC(=O)O)Cl)O	3C4	(3-chloro-4-hydroxyphenyl)acetic acid
+CNCc1cccc(c1)c2cccnc2	3C5	n-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
+c1cc(cnc1)c2ccc(cc2)C(=O)N[C@@H](CCCCN)C(=O)N	3C6	n~2~-[4-(pyridin-3-yl)benzoyl]-l-lysinamide
+C1[C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O	3C7	(3r,5r,7as)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
+Cc1c[nH]nc1[C@H]2CCCN(C2)c3ccc4c(n3)c(ncn4)N	3C8	6-[(3s)-3-(4-methyl-1h-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
+CC(C)CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	3C9	1-{(3s)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5h-pyrrolo[2,3-b]pyrazin-2-yl)urea
+c1cc(c(cc1c2ccc(cc2Cl)Cl)C(=O)O)O	3CA	2',4'-dichloro-4-hydroxy-1,1'-biphenyl-3-carboxylic acid
+CC[C@@H](C)[C@H](C(=O)N[C@@H](CCC(=N)N)C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc2cccc(c2)C(=O)O	3CB	n-[(3-carboxybenzyl)sulfonyl]isoleucyl-n~1~-{4-[amino(imino)methyl]benzyl}-5-iminoornithinamide
+CCCC(CCC)C(=O)N[C@@H]1Cc2ccc(cc2C1)S(=O)(=O)N	3CC	n-[(2r)-5-(aminosulfonyl)-2,3-dihydro-1h-inden-2-yl]-2-propylpentanamide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)CCl	3CD	3-(chloroacetyl) pyridine adenine dinucleotide
+c1cc(c(c(c1)Cl)O)O	3CE	3-chlorobenzene-1,2-diol
+c1cc(cc(c1)C#N)C[C@@H](C(=O)O)N	3CF	3-cyano-l-phenylalanine
+c1cc(cc(c1)[Sb](=O)(O)O)C=CC(=O)O	3CG	(2z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid
+c1cc(cc(c1)Cl)O	3CH	3-chlorophenol
+CCCC1=CC(=O)NC(=S)N1	3CJ	6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@H]([C@H](O2)CO)O)O)CO)O)O)O)O	3CK	beta-d-tagatofuranosyl alpha-d-glucopyranoside
+C(CO)CCl	3CL	3-chloropropanol
+C1CCC(CC1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	3CM	3-cyclohexylpropyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CCCN	3CN	3-aminopropane
+[Co+3]	3CO	cobalt (iii) ion
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC(=O)O)O	3CP	3-carboxypropyl-coenzyme a
+CN(C)CC#Cc1ccc(c(c1)F)OCCCc2c(nc(s2)N3CCc4cccc(c4C3)C(=O)Nc5nc6ccccc6s5)C(=O)O	3CQ	2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1h)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid
+c1ccc(cc1)C/C(=N\O)/C(=O)O	3CR	(2e)-2-(hydroxyimino)-3-phenylpropanoic acid
+CC(C)(C)CC(=O)c1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)I)OCc4ccc5ccccc5n4	3CS	3-[3-(3,3-dimethylbutanoyl)-1-(4-iodobenzyl)-5-(quinolin-2-ylmethoxy)-1h-indol-2-yl]-2,2-dimethylpropanoic acid
+c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O	3CT	3-chloro-l-tyrosine
+C1[C@@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@H]2O)O)CO)O)O	3CU	casuarine
+Cc1c(nc(c(n1)N2CCC(CC2)(C)N)CO)c3cccc(c3Cl)Cl	3CW	[3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
+C1CCC(CC1)NCC(CS(=O)(=O)O)O	3CX	(2s)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
+CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@@H](C3)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc4ccccc4	3CY	(3s)-3-[({(2s)-5-[(n-acetyl-l-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid
+C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)C(C)(C)C)c3ccc(cc3)[N+](=O)[O-]	3CZ	(2r)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
+C[C@@H]([C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N)NC[C@@H](COCc2cccnc2)NC(=O)[C@@H](CCCCN)NC(=O)C)O	3D0	n-[(2s)-2-[(n~2~-acetyl-d-lysyl)amino]-3-(pyridin-3-ylmethoxy)propyl]-l-allothreonyl-d-phenylalaninamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N	3D1	(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol
+c1cc(cc(c1)c2cccnc2)CN[C@@H](CCCCN)C(=O)N	3D2	n~2~-[3-(pyridin-3-yl)benzyl]-l-lysinamide
+c1nc(c2c(n1)nc([nH]2)SCC(=O)N)N	3D3	2-[(6-amino-7h-purin-8-yl)thio]acetamide
+C[C@H]([C@@H]([C@H](N[C@H](Cc1ccccc1)C(=O)N)O)NC(=O)CNC(=O)[C@H](CCCCN)NCc2ccc(cc2)c3cccnc3)O	3D4	n~2~-[4-(pyridin-3-yl)benzyl]-l-lysyl-n-[(1r,2s,3r)-1-{[(2r)-1-amino-1-oxo-3-phenylpropan-2-yl]amino}-1,3-dihydroxybutan-2-yl]glycinamide
+c1cc(cnc1)c2ccc(cc2)CN[C@H](CCCCN)C(=O)N	3D5	n~2~-[4-(pyridin-3-yl)benzyl]-d-lysinamide
+c1cc(cnc1)c2ccc(cc2)CN[C@@H](CCCCN)C(=O)N	3D6	n~2~-[4-(pyridin-3-yl)benzyl]-l-lysinamide
+Cn1cc(cn1)C2=CNC(=O)C(=C2)N	3D7	3-amino-5-(1-methyl-1h-pyrazol-4-yl)pyridin-2(1h)-one
+c1cc(cnc1)Nc2c3cccn3ncn2	3D8	n-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
+c1ccc(cc1)c2cc3c(ncnn3c2)Nc4ccncc4	3D9	6-phenyl-n-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N	3DA	3'-deoxyadenosine-5'-monophosphate
+c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N	3DB	5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
+c1cnccc1Nc2c3cc(cn3ncn2)c4c[nH]nc4	3DC	6-(1h-pyrazol-4-yl)-n-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
+c1cnc(c2c1n(cn2)C[C@H]([C@H](C(=O)O)O)O)N	3DD	(2r,3r)-4-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxybutanoic acid
+CCOC(=O)c1c([nH+]n(c1C)c2ccccc2)C	3DE	3,5-dimethyl-1-phenyl-1h-pyrazole-4-carboxylic acid ethyl ester
+c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO)O)N=C(NC2=O)N	3DG	9-(3-deoxy-beta-d-ribofuranosyl)guanine
+CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	3DH	5'-s-ethyl-5'-thioadenosine
+c1cc(c(c(c1)O)N)C(=O)C[C@@H](C(=O)O)N	3DJ	(2s)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
+Cn1cc(cn1)c2cc3c(c[nH]c3nc2)c4cnn(c4)Cc5cc(ccc5F)F	3DK	3-[1-(2,5-difluorobenzyl)-1h-pyrazol-4-yl]-5-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
+c1cc(cc(c1)O)c2cncc(n2)c3ccc(cc3)C(=O)O	3DL	4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid
+COc1cccc(c1O)OC	3DM	2,6-dimethoxyphenol
+Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCC(CC4)N(C)C	3DN	3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2h)-one
+C1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O	3DO	3-deoxy-beta-d-glucopyranose
+CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]	3DP	3-(n,n-dimethyloctylammonio)propanesulfonate
+COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O	3DQ	(1r,2s,4s,5r)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
+C1CO[C@@H]([C@H]1O)COP(=O)(O)O	3DR	1',2'-dideoxyribofuranose-5'-phosphate
+C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O	3DS	(4s,5r)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
+CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)CO)O	3DT	3-methylthymidine
+C1=CN(C(=O)C=C1O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3DU	4-hydroxy-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-2(1h)-one
+c1cc(cc(c1)O)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N	3DV	4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid
+CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C(=O)O	3DW	3-[4-(4-methylpiperazin-1-yl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid
+CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C#N	3DX	3-[4-(4-methylpiperazin-1-yl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
+C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@H](O2)O)O)O	3DY	3,6-anhydro-beta-l-galactopyranose
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cccc(c2)CN)C(=O)O)O	3DZ	(2s)-2-[3-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
+COc1c(cccc1F)c2csc(n2)N3CCOCC3	3E0	4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
+CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O	3E1	n,n'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide
+c1ccc2c(c1)C3=NNC(=S)N=C3N2CC(=O)O	3E2	(3-thioxo-2,3-dihydro-5h-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid
+Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)N)O	3E3	(2s,3s)-3-amino-n-(2,4-dimethylphenyl)-2-hydroxy-5-methylhexanamide
+Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC5CCC(CC5)N)NS(=O)(=O)c6ccccc6Cl	3E4	n-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide
+Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)O	3E5	n-[(benzyloxy)carbonyl]-l-leucyl-n-{(2s,3s)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-l-leucinamide
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O	3E6	rebaudioside a2
+CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)ccn3S(=O)(=O)c4cccc5c4cccc5	3E7	1-(naphthalen-1-ylsulfonyl)-n-[(1s)-1-phenylpropyl]-1h-indole-5-carboxamide
+CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)CN4C(=O)C=CC(=N4)c5cccc(c5)C#N	3E8	3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile
+C[C@@H](CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O	3E9	(3s,6e)-3,7,11-trimethyldodeca-6,10-dien-1-yl trihydrogen diphosphate
+CCCc1c(ccc2c1onc2C(F)(F)F)OCCCOc3ccc4c(c3)ccn4CC(=O)O	3EA	2-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]indol-1-yl}ethanoic acid
+c1cc(cc(c1)C(=O)O)CCC(=O)O	3EB	3-(2-carboxyethyl)benzoic acid
+c1cc(oc1CSCCN)C=O	3EC	5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde
+C[C@H]1[C@H](C2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(c4Cl)Cl)CO1)N	3ED	6-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3h)-one
+c1ccc(c(c1)C(=O)CC(=O)C(=O)O)N	3EE	4-(2-aminophenyl)-2,4-dioxobutanoic acid
+c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)P(=O)(C[C@@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O	3EF	n-{(2s)-3-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-tyrosine
+C([C@@H](C(=O)O)N)C(F)(F)F	3EG	(2s)-2-amino-4,4,4-trifluorobutanoic acid
+CCN(CC)CCCOC(=O)Nc1cccc(c1)CN2C(=O)SCC(=N2)c3ccc(c(c3)OC)OC	3EH	3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2h-1,3,4-thiadiazin-3(6h)-yl]methyl}phenyl)carbamate
+c1cc(cc(c1)F)CNC(=O)c2cc(ccn2)c3nnn(n3)Cc4ccc(cc4)C(=O)O	3EJ	4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2h-tetrazol-2-yl)methyl]benzoic acid
+Cc1cc(cc(n1)C(=O)NCc2ccc(cc2)F)c3ncn(n3)CC4CCC(CC4)C(=O)O	3EK	trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1h-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid
+c1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)Oc4c(cccn4)c5ccnc(n5)NC6CCC(CC6)N	3EL	n-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide
+CCN(CC)c1ccc2c(c1)OC(=O)C=C2COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C[C@@H]([C@H](Cc4ccccc4)NC(=O)OCc5cncs5)O	3EM	n~2~-({[7-(diethylamino)-2-oxo-2h-chromen-4-yl]methoxy}carbonyl)-n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)N	3EN	n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide
+CC(C)c1csc(n1)c2cc(c3ccc(cc3n2)OC)OC[C@@H]4C[C@@H]5N4C(=O)N[C@@]6(C[C@H]6/C=C\CCCCN(C5=O)C)C(=O)NS(=O)(=O)C7(CC7)C	3EO	(4r,6s,7z,15s,17s)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-n-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide
+CCP(CC)CC	3EP	triethylphosphane
+CCCC[N@@](c1cccc(c1C)c2ccc(cc2)SC)S(=O)(=O)c3ccc(c4c3cccc4)OCC(=O)O	3EQ	[(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid
+CS(=O)(=O)N[C@@H](c1cccc(c1)Cl)C(=O)O	3ER	(2s)-(3-chlorophenyl)[(methylsulfonyl)amino]ethanoic acid
+c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)[P@](=O)(C[C@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O	3ES	[(2s)-2-({3-[hydroxyl(2-phenyl-(1r)-1-{[(benzyloxy)[(2s)-2-({3-[hydroxyl(2-phenyl-(1r)-1-carbonyl]-amino}ethyl)phosphinyl]-2-[(3-phenylisoxazol-5-yl)methyl]-1-oxo-propyl}amino)-3-(4-hydroxy-phenyl)
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@@H](COC(=O)[C@@H](CO)N)N)C(=O)O	3ET	o-[(2r)-2-amino-3-(d-seryloxy)propanoyl]-n-[(2,3-dihydroxyphenyl)carbonyl]-l-serine
+c1c(cc(cc1Cl)Cl)CC(=O)O	3EU	(3,5-dichlorophenyl)acetic acid
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@@H](C3=C)O)O)C	3EV	(1s,3s,5z,7e,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
+Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO	3EW	5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-n-(2-hydroxyethoxy)-1-methyl-1h-benzimidazole-6-carboxamide
+c1cc(c(cc1C2CC2)F)Nc3c4cnccc4oc3C(=O)NOCCO	3EX	3-[(4-cyclopropyl-2-fluorophenyl)amino]-n-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
+c1cc(c(cc1C2CC2)F)Nc3c(ccn4c3cnc4)C(=O)NOCCO	3EY	8-[(4-cyclopropyl-2-fluorophenyl)amino]-n-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide
+c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCCN5)C6=NCCCN6	3EZ	n,n'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
+c1cc(c(c(c1)F)N)C(=O)O	3F0	2-azanyl-3-fluoranyl-benzoic acid
+Cc1ccc(cc1)S(=O)(=O)N=[S@](C)c2ccc(cc2)OCc3ccccc3	3F1	n-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide
+c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCN5)C6=NCCN6	3F2	n,n'-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
+COc1cccc(c1)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5	3F3	4-[(2-{5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O	3F4	2-(4-hydroxyphenyl)-3h-quinazolin-4-one
+CNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCC(=O)N)O)O)N	3F5	5'-o-(2-amino-2-oxoethyl)-8-(methylamino)adenosine
+c1cc(ccc1c2cc3ccc(cc3[nH]2)C4=NCCCN4)c5cc6ccc(cc6[nH]5)C7=NCCCN7	3F6	2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1h-indole]
+c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O	3F7	1,1'-benzene-1,4-diylbis(1h-pyrrole-2,5-dione)
+C1=CC(=O)N(C1=O)CCOCCOCCN2C(=O)C=CC2=O	3F8	1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1h-pyrrole-2,5-dione)
+COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4	3F9	n-{[(3r)-1-(2,3-dihydro-1h-inden-2-yl)piperidin-3-yl]methyl}-n-(2-methoxyethyl)naphthalene-2-carboxamide
+c1cc(c(c(c1)F)O)O	3FA	3-fluorobenzene-1,2-diol
+c1ccc(cc1)C[C@@H](CC(=O)O)N	3FB	(3s)-3-amino-4-phenylbutanoic acid
+CCCC[C@@H](C(=O)C(=O)NN1CCOC1=O)NC(=O)O[C@H](Cc2nnc(o2)c3ccc(cc3)C(F)(F)F)C(C)(C)C	3FC	(1r)-2,2-dimethyl-1-({5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl)propyl (1s)-1-{oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetyl}pentylcarbamate
+c1cc(ccc1COC[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(c(ncn4)N)nc3NCc5ccc(c(c5)Cl)Cl)O)O)C#N	3FD	4-[[(2r,3s,4r,5r)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
+c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCOCC4)C#N	3FE	3-[4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
+c1cc2c(cc1Nc3ccc(cc3F)F)CCc4ccc(cc4C2=O)OC[C@@H](CO)O	3FF	2-[(2,4-difluorophenyl)amino]-7-{[(2r)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-one
+c1c(cc(cc1O)O)[C@@H](C(=O)O)N	3FG	(2s)-amino(3,5-dihydroxyphenyl)ethanoic acid
+C1=CN(C(=S)C(=C1)C(F)(F)F)O	3FH	1-hydroxy-3-(trifluoromethyl)pyridine-2(1h)-thione
+c1cc(cc(c1)C(=O)O)\C=N\OCCCNCC2=CC(=O)NC(=O)N2	3FI	3-{(e)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid
+CN(C)[C@H](c1cc(cc(c1)Cl)Cl)C(=O)O	3FK	(2r)-(3,5-dichlorophenyl)(dimethylamino)ethanoic acid
+c1cc(cc(c1)C(=O)O)CNCCCCNCC2=CC(=O)NC(=O)N2	3FL	3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)OC(=O)N)O)O	3FM	3-o-carbamoyl-alpha-d-mannopyranose
+CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccc(cc4F)F	3FN	6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+[H]/N=C\CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](c2cccc(c2)Cl)NS(=O)(=O)C	3FO	n-{(2s)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-l-phenylalanyl-n-[(2z)-2-iminoethyl]glycinamide
+CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3cc(ccc3F)C(F)(F)F)O	3FP	(2r)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
+CN(C)C[C@@H](COc1ccc(cc1)NC2=CC(N=CN2)(Nc3cc(ccc3F)C(F)(F)F)O)O	3FQ	(2s)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
+Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)N[C@@H](C)c5ccccc5	3FR	3'-chloro-5'-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide
+[H]/N=C\CNC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)Cc1cc(cc(c1)Cl)Cl	3FS	n-[(3,5-dichlorophenyl)acetyl]-l-threonyl-n-[(2z)-2-iminoethyl]glycinamide
+c1cc(cc(c1)OC(F)(F)F)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O	3FT	2-({[3-fluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopent-1-ene-1-carboxylic acid
+[H]/N=C\c1nccc(n1)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](c2cc(cc(c2)Cl)Cl)N(C)C	3FU	n~2~-[(2r)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-n-({2-[(z)-iminomethyl]pyrimidin-4-yl}methyl)-l-isoleucinamide
+c1ccnc(c1)c2c(c[nH]n2)NC(=O)c3c(cn(n3)C4CCNCC4)Cl	3FV	4-chloro-1-(piperidin-4-yl)-n-[3-(pyridin-2-yl)-1h-pyrazol-4-yl]-1h-pyrazole-3-carboxamide
+[H]/N=C\c1nccc(n1)CN	3FW	1-{2-[(z)-iminomethyl]pyrimidin-4-yl}methanamine
+C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O	3FX	(2r)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
+Cc1ccccc1C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)Br)S(=O)(=O)c4cn(cn4)C	3FY	n-(2-{(4-bromophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-n-(2-methylbenzyl)-1h-imidazole-4-sulfonamide
+[H]/N=C(\c1cccc(c1)C=O)/N	3FZ	3-formylbenzenecarboximidamide
+C(#N)[Pt-2](C#N)(C#N)C#N	3G0	tetracyanoplatinate(ii)
+c1ccc(cc1)C[S@](=O)c2ccccc2C(=O)O	3G1	2-[(s)-benzylsulfinyl]benzoic acid
+c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3	3G3	2-[2-(1h-tetrazol-5-yl)ethyl]-1h-isoindole-1,3(2h)-dione
+CCN(CC)C(=O)Cc1cccc(n1)NS(=O)(=O)c2cccc(c2C)Cl	3G4	2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-n,n-diethylacetamide
+c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Br)Br)O)C(=O)O	3G5	4-(6,8-dibromo-3-hydroxy-4-oxo-4h-chromen-2-yl)benzoic acid
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)O	3G6	(2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name)
+CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O	3G7	(3r)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-n-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)c3cccs3	3G8	7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2h-chromen-2-one
+CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(c3)Cl	3G9	1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone
+[H]/N=C(\N)/N1CCC[C@H](C1)C[C@@H](C=O)N	3GA	(3s)-3-[(2s)-2-amino-3-oxopropyl]piperidine-1-carboximidamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	3GB	n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->4)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
+C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N	3GC	gamma-glutamylcysteine
+CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	3GD	n-[(2s,3r,4e)-1-{[4-o-(beta-d-galactopyranosyl)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide
+CC(C)([C@H](C(=O)O)NCC(CO)CO)[S](=O)=O	3GE	(2s)-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-2-[[2-(hydroxymethyl)-3-oxidanyl-propyl]amino]-3-methyl-butanoic acid
+CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5	3GF	6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
+c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3[nH]nnn3	3GG	1-phenyl-3-[4-(1h-tetrazol-5-yl)phenyl]urea
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O)[C@@H](CCCCCCCCCCCCCCC)O	3GH	n-{(2s,3r)-1-[(3-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
+CCc1cc(on1)COc2cc(ccc2OC)C(=O)Nc3c(cncc3Cl)Cl	3GJ	n-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide
+c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4	3GK	n-[3-(2h-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1h-benzimidazole-4-carboxamide
+C([C@@H](C(=O)O)N)[C@@H](C(=O)O)O	3GL	(2s,4s)-2-amino-4-hydroxy-pentanedioic acid
+c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCN	3GM	(2s)-6-[[(1r,2s)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+C[C@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N	3GN	2-[(2s)-2-methylpyrrolidin-2-yl]-1h-benzimidazole-7-carboxamide
+c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)COCc6ccc(cc6)C#N)O)O)N	3GO	4-[[(2r,3s,4r,5r)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri le
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N	3GP	guanosine-3'-monophosphate
+c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O	3GQ	benzene-1,2,3-tricarboxylic acid
+C([C@H](C=O)O)O	3GR	d-glyceraldehyde
+COC(=O)c1c2n(c(c1C(=O)OC)c3cccc(c3)F)C[S@](=O)C2	3GS	dimethyl (2r)-5-(3-fluorophenyl)-1h-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)C)C)\C)OC)(NC(=O)O2)O	3GT	(3beta,4beta,5beta,10beta,11e,13e)-maytansine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC4CCCC4	3GU	n6-cyclopentyladenosine
+c1ccc(c(c1)N2C[C@H](CC2=O)C(=O)O)O	3GV	(3s)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)c4ccc(s4)C=O)O)O)CO)O)O	3GW	5-(5-formylthiophen-2-yl)uridine-5'(2-(acetylamino)-2-deoxy-alpha-d-galactosyl)-diphosphate
+CN1CCCC2=C1C=C(NC2=O)c3ccccc3	3GX	1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1h)-one
+CC[C@@H](C)c1ccccc1	3GY	(2r)-butan-2-ylbenzene
+CCCCCCc1ccccc1	3GZ	hexylbenzene
+CCCc1ccccc1	3H0	propylbenzene
+Cc1c(c(c(c(c1Cl)O)C\C=C(/C)\C=C\[C@]2([C@@H](CCC(=O)[C@@H]2C)C)C)O)C=O	3H1	3-chloro-4,6-dihydroxy-2-methyl-5-{(2e,4e)-3-methyl-5-[(1r,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde
+CCCCCc1ccccc1	3H2	pentylbenzene
+C[C@H]1/C=C/C=C\CC/C=C/C(=O)O[C@H]1/C(=C/[C@H](C)C(=O)C[C@@H](CC2CC(=O)NC(=O)C2)O)/C	3H3	4-{(2r,5s,6e)-2-hydroxy-5-methyl-7-[(2r,3s,4e,6z,10e)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-en-1-yl}piperidine-2,6-dione
+C/C=C\C[C@@H](C/C=C\NC(=O)[C@H](C(C)(C)C)NC(=O)/C=C\C=C/C(=C/[C@H](C)[C@@H]1CC=C(C(=O)O1)OC)/C)OC(=O)N	3H4	(1z,4s,6z)-1-[(n-{(2z,4z,6e,8s)-8-[(2s)-5-methoxy-6-oxo-3,6-dihydro-2h-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy l-l-valyl)amino]octa-1,6-dien-4-yl carbamate
+Cc1c(cn(n1)C)C(=O)Nc2[nH]c3ccccc3n2	3H5	n-(1h-benzimidazol-2-yl)-1,3-dimethyl-1h-pyrazole-4-carboxamide
+c1ccc2c(c1)[nH]c(n2)NC(=O)c3c[nH]nc3c4ccc(cc4)F	3H6	n-(1h-benzimidazol-2-yl)-3-(4-fluorophenyl)-1h-pyrazole-4-carboxamide
+c1c(cc2c(c1F)nc(s2)N)F	3H7	4,6-difluoro-1,3-benzothiazol-2-amine
+Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	3H8	3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide
+CCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O	3H9	(s)-3-hydroxyhexanoyl-coa
+c1cc(c(c(c1)O)N)C(=O)O	3HA	3-hydroxyanthranilic acid
+c1cc(cc(c1)O)C(=O)O	3HB	3-hydroxybenzoic acid
+CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	3HC	3-hydroxybutanoyl-coenzyme a
+CO[C@@H]1[C@@H](CO[C@@H]([C@H]1O)CO)O	3HD	1,5-anhydro-3-o-methyl-d-mannitol
+C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C	3HE	4-{(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione
+CCCCN(CCCC)C(=O)n1cc(c2c1cccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O	3HF	n~3~-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~,n~1~-dibutyl-1h-indole-1,3-dicarboxamide
+C(C(CC(=O)O)O)C(=O)O	3HG	3-hydroxypentanedioic acid
+CCCCN(C)C(=O)n1cc(c2c1ccc(c2)C#N)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H](CNCc4cccc(c4)OC)O	3HH	n~1~-butyl-5-cyano-n~3~-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~-methyl-1h-indole-1,3-dicarboxamide
+CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O	3HI	(3r,5r)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1h-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
+Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4	3HJ	n-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-1-yl}benzamide
+COc1cc-2c(cc1OCCCN3CCOCC3)Cc4c2[nH]nc4c5ccc(cc5)C#N	3HK	4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile
+C[C@@H](CC(=O)O)O	3HL	(3s)-3-hydroxybutanoic acid
+Cc1c(cc(cn1)C(=O)O)O	3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid
+Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccc(cc4)F	3HN	3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide
+CCCCC[C@@H](CC(=O)O)O	3HO	(3s)-3-hydroxyoctanoic acid
+c1cc(cc(c1)O)CC(=O)O	3HP	3-hydroxyphenylacetate
+Cc1ccc(cc1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4ccnc(c4)C	3HQ	3-(4-{[(4-methylphenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide
+C[C@H](CC(=O)O)O	3HR	(3r)-3-hydroxybutanoic acid
+c1cc(ccc1CNC(=O)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	3HS	5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+COc1ccc(cc1)n2cnc3c2cc(cc3)C4=NNC(=S)O4	3HT	5-[1-(4-methoxyphenyl)-1h-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3h)-thione
+c1csc(c1CN2C(=O)c3cscc3N(C2=O)C[C@@H](C(=O)O)N)C(=O)O	3HU	(s)-1-(2'-amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione
+c1cc(ccc1CN2CCc3cc(ccc3C2=S)c4ccc(o4)C(=O)O)c5cc(nn5c6ccc(c(c6)Cl)Cl)C(=O)O	3HV	5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1h)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+c1cc(ccc1CNC(=S)c2ccc(cc2)c3cc(nn3c4ccc(c(c4)Cl)Cl)C(=O)O)c5ccc(o5)C(=O)O	3HW	5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]carbamothioyl}phenyl)-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+[H]/N=C(/NCCC[C@@H](CN(CCN)O)N)\N[N+](=O)[O-]	3HX	(4s)-n-{4-amino-5-[(2-aminoethyl)(hydroxyamino]-pentyl}-n'-nitroguanidine
+c1cc(cc(c1)O)CO	3HY	3-(hydroxymethyl)phenol
+CC(=O)N(Cc1ccc(cc1)c2ccc(o2)C(=O)O)Cc3ccc(cc3)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	3HZ	5-[4-({acetyl[4-(5-carboxyfuran-2-yl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+c1c2cc(cc(c2c(cc1S(=O)(=O)O)N)O)S(=O)(=O)O	3I0	4-amino-5-hydroxynaphthalene-2,7-disulfonic acid
+CS(=O)(=O)c1cccc2c1[nH]cc2c3c(cnc(n3)N[C@H]4CCCNC4)C(F)(F)F	3I3	4-[7-(methanesulfonyl)-1h-indol-3-yl]-n-[(3s)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
+C[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br	3I6	4-((5-bromo-4-(prop-2-yn-1-ylamino)pyrimidin-2-yl)amino)benzenesulfonamide
+c1ccc(cc1)NC(=O)c2ccc(cc2OCCC[NH3+])c3c[nH]nc3	3I7	3-[2-(phenylcarbamoyl)-5-(1h-pyrazol-4-yl)phenoxy]propan-1-aminium
+c1ccc2c(c1)c(c[nH]2)CCCC(=O)O	3IB	3-indolebutyric acid
+c1c[nH]c2c1cc(c(c2)O)O	3ID	3h-indole-5,6-diol
+C[C@@H](COC)N	3IE	(2~{s})-1-methoxypropan-2-amine
+CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CC5	3IF	n-[(3s)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4h-1,2,4-triazole-3-carboxamide
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCNC(=O)C	3IG	n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl]ethyl}acetamide
+Cc1cc(no1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=CC(=O)OCc3ccccc3	3IH	n-[(5-methylisoxazol-3-yl)carbonyl]alanyl-l-valyl-n~1~-((1r,2z)-4-(benzyloxy)-4-oxo-1-{[(3r)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide
+COc1ccc(c(c1)OC)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCCc5ccc(cc5Cl)Cl	3II	n-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide
+C[C@H](CO[C@H](C)CO[C@@H](C)CO[C@@H](C)COCCOC)N	3IK	(2~{r})-1-[(2~{r})-1-[(2~{s})-1-[(2~{s})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-amine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)O	3IL	3-(indol-3-yl) lactate
+C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)c4cnc(c(n4)Cl)N5CCN(CC5)C)O)O	3IN	n-[2(s)-cyclopentyl-1(r)-hydroxy-3(r)methyl]-5-[(2(s)-tertiary-butylamino-carbonyl)-4-(n1-(2)-(n-methylpiperazinyl)-3-chloro-pyrazinyl-5-carbonyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethyl-pentanamide
+c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O	3IO	3-(1h-indol-3-yl)-2-oxopropanoic acid
+c1ccc(cc1)COc2cccnc2N	3IP	3-(benzyloxy)pyridin-2-amine
+c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Nc3nccs3	3IR	(1~{r},2~{r})-2-phenyl-~{n}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
+c1cc2c(cc1Cl)CC(=O)N2	3IS	5-chloranyl-1,3-dihydroindol-2-one
+CC(=C)C1=C(C(=O)C=CC=C1)O	3IT	2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one
+CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CCOCC5	3IU	n-[(3s)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4h-1,2,4-triazole-3-carboxamide
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	3IX	s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenethioate
+C[C@H](CO[C@H](C)CO[C@H](C)COCCOC)N	3IZ	(2~{r})-1-[(2~{r})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
+c1cc(ccc1CNC(=S)c2ccc(cc2)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	3J0	5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+Cn1cc(cn1)c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO	3J1	8-(hydroxymethyl)-2-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]quinazolin-4(3h)-one
+CC(C)C1=C2[C@H]([C@@H]3[C@H]4[C@]([C@H]([C@@H]5[C@H]([C@@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O	3J2	nagilactone c
+C1CN(CCC1OS(=O)(=O)N)S(=O)(=O)[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	3J3	(1r)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-d-galactitol
+C1CN(C[C@@H]1OS(=O)(=O)N)S(=O)(=O)[C@H]2[C@H]([C@H]([C@@H](C(O2)CO)O)O)O	3J4	(6s)-2,6-anhydro-6-{[(3r)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-d-glucitol
+Cc1cc(ncc1c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO)N5CCN([C@H](C5)C)C	3J5	2-(4-{6-[(3s)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3h)-one
+CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO	3J6	(3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
+CC(C)(CNc1c2ccncc2nc(n1)c3ccc4c(c3)cn[nH]4)N	3J7	n~1~-[2-(1h-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine
+CN1c2ccccc2N=C3C1=CC=CC3=O	3J8	5-methylphenazin-1(5h)-one
+C[C@]12CCCO[C@@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F	3J9	(4r,4a's,10a'r)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine
+Cn1cc(cn1)c2c[nH]c3c2c(ncn3)N4CCOCC4	3JA	5-(1-methyl-1h-pyrazol-4-yl)-4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidine
+Cc1nc(no1)[C@H]2CN(CCO2)c3c4c(c[nH]c4ncn3)c5cccc(c5)C#N	3JB	3-{4-[(2r)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
+Cc1c2c(nc(n1)N)C[C@@H](CC2=O)c3ccccc3	3JC	(7s)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6h)-one
+c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)[C@@H]4CCCNC4	3JD	2-{4-[(3s)-piperidin-3-yl]phenyl}-2h-indazole-7-carboxamide
+c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4	3JE	triphenyl(phenylethynyl)phosphonium
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O	3JF	n-acetyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O	3JG	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(1,3-oxazol-5-yl)benzyl]-l-prolinamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)O	3JH	n-acetyl-l-leucyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+c1ccc(cc1)CCCC(=O)NC2=C(C=C[N](=C2)O)C(=O)O	3JI	3-(4-phenylbutanamido)pyridine-4-carboxylic acid
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)C)O	3JJ	n-acetyl-3-methyl-l-valyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+Cc1c(ocn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O	3JK	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-l-prolinamide
+c1cc(c(c(c1)C(=O)O)C(=O)O)CCCC(=O)O	3JL	3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid
+c1cc(c(c(c1)C(=O)O)C(=O)O)CCC(=O)O	3JM	3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid
+c1cc(c(c(c1)C(=O)O)C(=O)O)/C=C/CC(=O)O	3JN	3-[(1e)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)C)O	3JO	n-acetyl-l-phenylalanyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CCOc4ccc(c(c4)OC)OC	3JP	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one
+COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@H](CO)O	3JQ	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1r)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
+COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@@H](CO)O	3JR	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1s)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H]4C[C@H](CN4C(=O)C)O)O	3JS	(4r)-1-acetyl-4-hydroxy-l-prolyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cncs3)O	3JT	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(1,3-thiazol-5-yl)benzyl]-l-prolinamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O	3JU	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+Cc1cc(ccc1c2cncs2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O	3JV	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-l-prolinamide
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3	3JW	baricitinib
+Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C	3JX	4'-[(2,3-dimethyl-5-{[(1s)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](C2)O[C@@H](C(=O)OC)P(=O)(O)O	3JY	[(1r)-2-methoxy-1-{[(1s,3r)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}-2-oxoethyl]phosphonic acid
+CN(c1ccccc1CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C	3JZ	n-methyl-n-{2-[({2-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide
+C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N	3K0	n-sulfamoyl-l-glutamic acid
+c1cc(ccc1c2[nH]nnn2)C3=NC=C(C(=O)N3)O	3K1	5-hydroxy-2-[4-(1h-tetrazol-5-yl)phenyl]pyrimidin-4(3h)-one
+Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C	3K2	4'-[(2,3-dimethyl-5-{[(1r)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid
+c1cc2c(cc1C(F)(F)F)nc([nH]2)[C@H]3[C@H]4[C@@H]3Oc5c4cc(cc5)Oc6ccnc7c6CCC(=O)N7	3K3	5-({(1r,1as,6br)-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]-1a,6b-dihydro-1h-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1h)-one
+C[C@H]1[C@H](N1)C(=O)O	3K4	(2s,3s)-3-methylaziridine-2-carboxylic acid
+C[C@@H]1CO[C@]2(C[C@@H]1OC(=O)/C=C/c3ccccc3)[C@]4(CO4)[C@@H]5CC[C@@H](C[C@@H]5O2)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)OC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)OC(=O)C)O	3K5	3-o-acetyl-2-o-(3-o-acetyl-6-deoxy-beta-d-glucopyranosyl)-6-deoxy-1-o-{[(2r,2's,3a'r,4''s,5''r,6's,7a's)-5''-methyl-4''-{[(2e)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-d-glucopyranose
+C[C@@H]1Cn2c(c(cn2)c3ccc(cc3)S(=O)(=O)N(C)C)CN1c4ccnc5c4cc[nH]5	3K6	n,n-dimethyl-4-[(6r)-6-methyl-5-(1h-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
+Cc1c(n2c(n1)c(cc(n2)Cl)N)c3ccc(c(c3)OC)OC	3K7	6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
+COc1ccc2c(c1)c3cc(c(cc3c4c2CN5CCCC[C@@H]5C4)OC)OC	3K8	(14ar)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9h-dibenzo[f,h]pyrido[1,2-b]isoquinoline
+COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5	3K9	1-[2-fluoro-4-(1h-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	3KA	1-(2-deoxy-5-o-phosphono-beta-l-erythro-pentofuranosyl)pyrimidine-2,4(1h,3h)-dione
+COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4cccc(c4)C(F)(F)F	3KB	5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1h)-one
+c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(=N2)c5ccc(cc5Cl)O	3KC	3-chloro-4-(4h-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol
+c1c2c(cc3c1OCO3)[C@@H]4[C@@H]([C@H](C=C5[C@H]4N(C2)CC5)O)O	3KD	(1s,2s,12bs,12cs)-2,4,5,7,12b,12c-hexahydro-1h-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol
+COc1ccc(cc1)Cn2nc(nn2)c3cccc(c3)C(=O)NCc4ccc(cc4)C(=O)O	3KE	4-{[({3-[2-(4-methoxybenzyl)-2h-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid
+c1c2c(c(c3c1OCO3)O)C(=O)N[C@@H]4C2=C[C@@H]([C@H]([C@H]4O)O)O	3KF	(2s,3r,4s,4ar)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one
+c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)C(F)(F)F	3KG	3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1h)-one
+c1cc2c(cc1c3nnc(s3)N)[nH]nn2	3KH	5-(1h-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)O	3KJ	n~5~-(n-hydroxy-n-methylcarbamimidoyl)-l-ornithine
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(C)(C)O)O	3KK	s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C	3KL	(5beta,9beta)-3-oxocholan-24-oic acid
+[H]/N=C(\c1cccc(c1)OC[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3ccc4ccccc4c3)/N	3KM	3-({(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide
+c1cncc(c1N)c2nnc(s2)N	3KN	3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCN(C3)C(=O)CC4CCCC4	3KO	(2e,5r)-5-(2-cyclohexylethyl)-5-{[(3r)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one
+C(C(CCl)Cl)Cl	3KP	1,2,3-trichloropropane
+COc1ccc(c(c1OC)OCC(=O)NCc2ccccc2)C(=O)Cc3c(cncc3Cl)Cl	3KQ	n-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide
+COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F	3KR	1-(2-methoxyethyl)-n-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)NC(=O)C	3KS	n-acetyl-l-alanyl-n-[(1s,5r)-5-amino-1,5-dicarboxypentyl]-d-glutamine
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC4CCCC4	3KT	(2e,5r)-5-(2-cyclohexylethyl)-5-{[(1s,3r)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)c4ccncc4	3KU	n-[(1r,3s)-3-{[(2e,4r)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	3KV	retinoic acid
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)Nc4ccc5ccccc5n4	3KW	(2e,5r)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1s,3r)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one
+c1ccc(cc1)C2=C(C=C(NC2=O)CC3CCCCC3)O	3KX	6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1h)-one
+CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O)C	3KY	6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1h)-one
+C[C@@H]1CN(CC[C@@H]1c2cc3c(cc2c4ccccc4F)OCC5=NNC(=O)[C@H](N35)C)C	3KZ	(1r)-9-[(3s,4s)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
+C[C@@H]1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)N(C)C5(CN(C5)C)C	3L0	(1r)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)CO)O)N	3L1	(2s,3r,5s)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol
+C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4	3L2	(4s,5r,10e,12z,16r,16as,17s,18r,19ar,23ar)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3h,18h,19ah-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione
+C(CN(CCO/C=C/P(=O)(O)O)/C=C/P(=O)(O)O)n1c2c(nc1Br)C(=O)NC(=N2)N	3L3	[(e)-2-(2-{[2-(2-amino-8-bromo-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl][(e)-2-phosphonoethenyl]amino}ethoxy)ethenyl]phosphonic acid
+c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N	3L4	[(2-{[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl][(e)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid
+c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N	3L5	(2-{[2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid
+c1nc2c(n1CCN(CCCN)CCP(=O)(O)O)N=C(NC2=O)N	3L6	(2-{[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid
+c1nc2c(n1CCN(CCO/C=C/P(=O)(O)O)CCP(=O)(O)O)N=CNC2=O	3L7	(2-{[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](2-{[(e)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid
+c1nc2c(n1CCN(CCOCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O	3L8	[(2-{[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)Oc3c(cc(cc3O)C4=C(C(=O)c5c(cc(cc5O4)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)/C=C/c8ccc(c(c8)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O	3L9	montbretin a
+CCCCCCCCCC(=O)CC(=O)O	3LA	3-oxododecanoic acid
+CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)N[C@H](C=O)[C@@H](CC=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=CC(=O)C(C=N3)O)CCCS(=O)(=O)C	3LB	(3r,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5r)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@H](C=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C	3LC	(3s,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
+c1ccc(cc1)CCC2=CC(=O)C(=NN2)O	3LD	3-hydroxy-6-(2-phenylethyl)pyridazin-4(1h)-one
+C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C	3LE	(3s,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
+COc1cc(cc(c1OC)OC)CCC(=O)O	3LF	3-(3,4,5-trimethoxyphenyl)propanoic acid
+COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5c(c4)ccn5CC(=O)O	3LG	(5-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetic acid
+CCC(=O)Nc1cc(ccc1C)N2c3c4cc(ccc4ncc3C=CC2=O)c5c[nH]nc5	3LH	n-{2-methyl-5-[2-oxo-9-(1h-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2h)-yl]phenyl}propanamide
+Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NCC(=O)NO)C(=O)NC	3LI	(4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OS(=O)(=O)O	3LJ	2-amino-2-deoxy-6-o-sulfo-alpha-d-glucopyranose
+CC[C@@]1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CS[C@H]4CCCN(C4)C(=O)[C@H](C(C)C)N)C	3LK	bc-3205
+CC1(COC1)C#Cc2cc3c(nc2)Oc4ccc(cc4[C@@]35COC(=N5)N)c6cccnc6F	3LL	(5s)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CSC)/C(=O)O)O	3LM	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-(methylsulfanyl)but-2-enoic acid
+CC(C)(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5	3LN	(4s)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine
+c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(cc(c5O3)F)C6=CCOCC6	3LO	(4s)-2'-(3,6-dihydro-2h-pyran-4-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine
+Cc1ccc2c(c1)c3c(n2C[C@H](CNC4CCCCC4)O)CCCC3	3LP	1-(cyclohexylamino)-3-(6-methyl-3,4-dihydro-1h-carbazol-9(2h)-yl)propan-2-ol
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccc4c3ccc(c4)C#N	3LQ	5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile
+C[C@@H]([C@@H](C[C@H](C(=O)O)O)O)O	3LR	3,6-dideoxy-l-arabino-hexonic acid
+c1cc(sc1c2c(cc(s2)c3ccc(s3)C(=O)O)CC(=O)O)c4c(cc(s4)c5ccc(s5)C(=O)O)CC(=O)O	3LS	3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid
+C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	3LT	(4r)-4-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid
+c1ccc(cc1)[C@H](C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O)S(=O)(=O)O	3LU	1-({(2r)-4-carboxy-2-[(r)-carboxy{[(2r)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2h-1,3-thiazin-5-yl}methyl)pyr idinium
+CCCN(CCC)Cc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O	3LV	4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(dipropylamino)methyl]benzoic acid
+c1cc(sc1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br	3LW	(3s,5s,7s)-n-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium
+CCCCCCCCCCCCC=S	3LX	tridecanethial
+CCc1c(cccn1)Oc2cc(cnc2NC(=O)NC)Sc3ccccn3	3LZ	1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea
+Cc1cccc(c1N)C(=O)O	3M0	2-azanyl-3-methyl-benzoic acid
+c1ccc(c(c1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F	3M1	(3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone
+CN1/C(=C\c2cc(c(c(c2)Br)O)Br)/C(=O)N=C1N	3M2	(5z)-2-amino-5-(3,5-dibromo-4-hydroxybenzylidene)-1-methyl-1,5-dihydro-4h-imidazol-4-one
+Cc1c(c(n[nH]1)C)CCCOc2ccccc2F	3M3	4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1h-pyrazole
+CCOc1ccccc1c2nc(no2)c3ccncc3	3M4	4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
+CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O	3M5	3-oxo-n-[(3s)-2-oxotetrahydrofuran-3-yl]decanamide
+C[C@@H]1CN(C(=O)c2cccc(c2O[C@@H]1CN(C)C(=O)Nc3ccc(cc3)C(F)(F)F)NS(=O)(=O)c4ccc(cc4)F)[C@@H](C)C(=O)O	3M6	(2s)-2-[(2s,3r)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-5(6h)-yl]propanoic acid
+CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c5cc(ccc5c(cn4)OC)Cl)C(=O)NS(C6CC6)(O)O	3M7	tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-{[cyclopropyl(dihydroxy)-lambda~4~-sulfanyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+c1c(cc(c(c1F)C#N)SCCS(=O)(=O)O)O	3M8	2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid
+c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3c(cnn3)CNC(=O)c4ccc(cc4)F	3M9	4-fluoro-n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-5-yl}methyl)benzamide
+C[n+]1cnc(c2c1[nH]cn2)N	3MA	6-amino-3-methylpurine
+COc1cccc(c1)C(=O)N	3MB	3-methoxybenzamide
+C[N+]1=C(C=CNC1=O)N	3MC	3-methylcytosine
+C[C@@H]([C@@H](C(=O)O)N)C(=O)O	3MD	2s,3s-3-methylaspartic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCN(C)C	3ME	2'-o-{2-[2-(dimethylamino)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate)
+CO[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO	3MF	3-o-methylfructose in linear form
+CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O	3MG	3-o-methyl-beta-d-glucopyranose
+CC1=CC=CN(C1=S)O	3MH	1-hydroxy-3-methylpyridine-2(1h)-thione
+c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl	3MI	2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
+CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O	3MJ	1-(3,4,5-trihydroxyphenyl)dodecan-1-one
+C([C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	3MK	beta-l-altropyranose
+CC1=CC(=O)O[C@H]1CC(=O)O	3ML	[(2s)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
+C[N+](C)(C)[C@H](CCSC)C(=O)O	3MM	(1r)-1-carboxy-n,n,n-trimethyl-3-(methylsulfanyl)propan-1-aminium
+C[C@]1(C(=O)N(C(=O)N1Cc2cccc(c2)C#N)CCCn3ccnc3)c4cccc5c4cccc5	3MN	3-({3-[3-(1h-imidazol-1-yl)propyl]-5-methyl-5-(1-naphthyl)-2,4-dioxoimidazolidin-1-yl}methyl)benzonitrile
+CN1CCOC1=O	3MO	3-methyl-1,3-oxazolidin-2-one
+Cc1cccnc1	3MP	3-methylpyridine
+c1cc(sc1)c2cc(no2)CO	3MQ	(5-thiophen-2-ylisoxazol-3-yl)methanol
+CN(C1CCCCC1)C(=O)CC[C@@H](C2CCCCC2)N3Cc4cc(ccc4N=C3N)Oc5ccccc5	3MR	(4s)-4-(2-amino-6-phenoxyquinazolin-3(4h)-yl)-n,4-dicyclohexyl-n-methylbutanamide
+CC(C)CCN1C(=O)C(=C(c2n1ccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C	3MS	n-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide
+C[n+]1ccsc1	3MT	3-methylthiazolium ion
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3MU	3-methyluridine 5'-(dihydrogen phosphate)
+CC[C@@H](C)C[C@@H](CC)C(C)C	3MV	(3r,5r)-3-ethyl-2,5-dimethylheptane
+c1cnn(c1)c2ccc(cc2)[C@H](C(=O)NO)NC(=O)c3ccc(cc3)N	3MW	4-amino-n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}benzamide
+CCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O	3MX	1-(3,4,5-trihydroxyphenyl)decan-1-one
+c1cc(c(cc1C[C@H](C(=O)O)N)Cl)O	3MY	3-chloro-d-tyrosine
+CCCCCCCCC(=O)c1ccc(c(c1O)O)O	3MZ	1-(2,3,4-trihydroxyphenyl)nonan-1-one
+CCCCCC(=O)c1cc(c(c(c1)O)O)O	3N0	1-(3,4,5-trihydroxyphenyl)hexan-1-one
+Cc1c2cc(ccc2sc1CC(=O)O)Cl	3N1	(5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid
+c1cc2c(cc1Cl)c(cs2)CC(=O)O	3N2	(5-chloro-1-benzothiophen-3-yl)acetic acid
+c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2C(=O)O	3N3	(2s)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid
+c1ccc2c(c1)ccc3c2c(cs3)CC(=O)O	3N4	naphtho[2,1-b]thiophen-1-ylacetic acid
+c1ccc(cc1)COC(=O)N2c3ccccc3C[C@@H]2C(=O)O	3N5	(2r)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid
+c1ccc2c(c1)CN(C(=O)N2)C3CCN(CC3)C(=O)N[C@H](Cc4cc(c(c(c4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)c6ccncc6	3N6	n-{(1s)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2h)-yl)piperidin-1-yl]carbonyl}-d-tyrosinamide
+Cc1cc(nc(n1)Nc2ccc3c(c2)cn[nH]3)Nc4cc([nH]n4)C5CC5	3N7	n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-n~2~-1h-indazol-5-yl-6-methylpyrimidine-2,4-diamine
+c1cc(c(cc1F)O)O	3N8	4-fluorobenzene-1,2-diol
+C1=CC(=O)[C@@](C=C1F)(O)OO	3N9	(6s)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one
+c1ccc2c(c1)c(cn2CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F	3NA	{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1h-indol-1-yl}acetic acid
+CCCCCCCC(=O)c1cc(c(c(c1)O)O)O	3NB	1-(3,4,5-trihydroxyphenyl)octan-1-one
+c1c2c(cc(c1NC(=O)C3CCC(CC3)N)Cl)C(=O)NC=C2	3NC	cis-4-amino-n-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide
+c1cc(ccc1[C@@H]2CNC[C@H]2C(=O)Nc3cc4c(cc3Cl)C(=O)N=CC4)Cl	3ND	(3s,4r)-n-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
+c1cc(cc(c1)C(F)(F)F)c2c3c([nH]n2)NC(=O)C=C3C(F)(F)F	3NE	4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
+CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O	3NF	n-acetyl-l-tyrosine
+c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O	3NG	5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
+c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(CN2)[C@H]3c4ccccc4C[C@H]3OC(N)O)Cc5ccccc5)O)NC(=O)OC6CCOC6	3NH	(3s)-tetrahydrofuran-3-yl (1r,2s)-3-[4-((1r)-2-{[(s)-amino(hydroxy)methyl]oxy}-2,3-dihydro-1h-inden-1-yl)-2-benzyl-3-oxopyrrolidin-2-yl]-1-benzyl-2-hydroxypropylcarbamate
+[Ni+3]	3NI	nickel (iii) ion
+C1=CC(=O)OC(=O)C=C1F	3NJ	4-fluorooxepine-2,7-dione
+CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC	3NK	1-(6-methoxynaphthalen-2-yl)butane-1,3-dione
+c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cnn(c4)[C@H]5CCNC5)Cl	3NL	3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-{1-[(3s)-pyrrolidin-3-yl]-1h-pyrazol-4-yl}benzamide
+Cc1c(sc(n1)C(=O)O)CCOP(=O)(O)O	3NM	4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid
+C(C[N+](=O)[O-])C(=O)O	3NP	3-nitropropanoic acid
+C[C@]12CC[C@@H](C[C@@H]1/C(=N/O)/C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O	3NQ	6-oxime-17-(3-pyridyl)-androst-16-en-3-ol
+C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C#N)O	3NR	6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol
+Cc1nc2ccccc2n1CCNC(=O)C[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)CO	3NS	(3s)-4-hydroxy-3-{[(2s)-4-{[2-(2-methyl-1h-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid
+Cc1cccc(c1)[N+](=O)[O-]	3NT	3-nitrotoluene
+CC(C)c1c(c[nH]n1)c2ccnc(n2)NC3CCN(CC3)C	3NU	4-[3-(1-methylethyl)-1h-pyrazol-4-yl]-n-(1-methylpiperidin-4-yl)pyrimidin-2-amine
+CC(C)c1c(c([nH]n1)Cl)c2ccnc(n2)Nc3ccc(cn3)N4CCNCC4	3NV	4-[5-chloro-3-(1-methylethyl)-1h-pyrazol-4-yl]-n-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine
+CCNC(=O)NCc1ccccc1c2cc(nc(n2)NCCN(C)C)c3cnc(s3)NC(C)C	3NW	1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea
+C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C(=O)N)O	3NX	3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide
+c1cc2c(cc1[N+](=O)[O-])nn[nH]2	3NY	5-nitro-1h-benzotriazole
+COc1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N	3NZ	3'-deoxy-3'-[(o-methyl-l-tyrosyl)amino]adenosine
+c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)Cl)N	3O0	{4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone
+CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(=O)(=O)N	3O1	tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate
+COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c2ccc(cc2)OCCCn3nc(nn3)c4ccc(cc4)OC(F)(F)F	3O2	n-hydroxy-1-(2-methoxyethyl)-4-{[4-(3-{5-[4-(trifluoromethoxy)phenyl]-2h-tetrazol-2-yl}propoxy)phenyl]sulfonyl}piperidine-4-carboxamide
+C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N	3O3	n-[(3s)-3-amino-3-carboxypropyl]-l-glutamic acid
+CC(=O)Nc1ccc(cc1)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4	3O4	n-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide
+c1cc(ccc1OCCCCN)S(=O)(=O)N	3O5	4-(4-sulfamoyl-phenoxy)-butylammonium
+Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)F)NC(=O)Nc3ccc(cc3)F	3O6	1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]urea
+c1cc(c2c(c1O)C(=O)c3c(ccc(c3C2=O)O)O)O	3O7	1,4,5,8-tetrahydroxyanthracene-9,10-dione
+c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO	3O8	1-amino-5,8-dihydroxy-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione
+c1cc(c2c(c1NCCOCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCOCCO	3OA	1,4-dihydroxy-5,8-bis{[2-(2-hydroxyethoxy)ethyl]amino}anthracene-9,10-dione
+CN(C)C1=C(C=C(NC1=O)CC(=O)N2CCc3ccccc3C2)Oc4cc(cc(c4)Cl)C#N	3OB	3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1h)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile
+C1C[C@H](CC(=O)C1)C(=O)O	3OC	(1r)-3-oxocyclohexanecarboxylic acid
+CC(=O)O[C@@H]1[C@@H](O[C@@H]([C@@H]1O)O)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	3OD	(2s,3s,4r,5s)-2-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4,5-dihydroxytetrahydrofuran-3-yl acetate
+Cc1ccsc1CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc4ccccc4	3OE	4-(benzyloxy)-n-[(2s,3r)-3-hydroxy-1-{[(2s)-1-{[(3-methylthiophen-2-yl)methyl]amino}-1-oxo-4-phenylbutan-2-yl]amino}-1-oxobutan-2-yl]benzamide
+[OH2][Fe+3][OH2]	3OF	hydrated fe (iii) ion, 2 waters coordinated
+CCCCCCCCCC[C@@H]([C@H]1CCCC(=O)O1)OC(=O)C	3OG	(1s)-1-[(2r)-6-oxotetrahydro-2h-pyran-2-yl]undecyl acetate
+C(CO)C(=O)O	3OH	3-hydroxy-propanoic acid
+B1(c2ccc(cc2CO1)Oc3ccc(c(c3)C#N)C#N)O	3OJ	4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile
+c1cc(c2c(c1NCCN)C(=O)c3c(ccc(c3C2=O)O)O)NCCN	3OK	1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthracene-9,10-dione
+CCCCC[C@H](C=C)O	3OL	(3r)-oct-1-en-3-ol
+CCCCC[C@@H](C=C)O	3OM	(3s)-1-octen-3-ol
+CC1=C(C(C[C@@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C/C=C/C=C(/C)\C=C\C=C(/C)\CO)\C)\C	3ON	(3r)-3-hydroxy-8'-apocarotenol
+CC(C)(C)NCCCNC(=O)c1cccc(c1)Br	3OO	3-bromo-n-[3-(tert-butylamino)propyl]benzamide
+c1cc(cnc1)Oc2cccnc2	3OP	3,3'-oxydipyridine
+C[C@](c1ccc(cc1)S(=O)(=O)c2ccc(cc2CCF)C#N)(C(F)(F)F)O	3OQ	3-(2-fluoroethyl)-4-({4-[(2s)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile
+c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)CN3C(=O)CCCO3)C(=O)NOCCO	3OR	3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide
+C#Cc1ccc(c(c1)F)Nc2c(cc(c(c2F)F)C=NOCCO)C(=O)NOCCO	3OS	2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide
+COC1=CC(=CC=CC1=O)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5	3OT	2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1h-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5CCc6cc(ccc6C5=O)N(C)C	3OU	6-(dimethylamino)-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-3,4-dihydroisoquinolin-1(2h)-one
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)N(C)C	3OV	6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2h)-one
+CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C	3OW	(2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4s,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide
+CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C	3OX	(2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4r,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide
+CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5ccn4)Br	3OY	n-propanoyl-d-alanyl-(4r)-4-[(7-bromoisoquinolin-1-yl)oxy]-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-l-prolinamide
+Cc1cc(ccc1OCC(=O)O)C[N@@]2Cc3ccccc3[C@H]2C(=O)Nc4ccc(cc4Cl)Cl	3OZ	[4-({(1s)-1-[(2,4-dichlorophenyl)carbamoyl]-1,3-dihydro-2h-isoindol-2-yl}methyl)-2-methylphenoxy]acetic acid
+CC(C)(C#N)c1cc2c(c(c1)F)C(=O)N(CC2)c3cccc(c3CO)C4=CN(C(=O)C(=C4)Nc5ccc(cn5)N6CCN(CC6)C)C	3P0	2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile
+c1ccc2c(c1)ccc(n2)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N	3P1	8-[(quinolin-2-ylmethyl)amino]adenosine
+Cc1c(c(on1)C)c2ccc(cc2)c3c(n4ccncc4n3)NC(C)(C)C	3P2	n-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)O	3P3	n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide
+CCc1c2c([nH][n+]1C3CN(C3)CC)C(=O)NC(=N2)c4cc(cnc4OCCC=C)C(=C)O	3P4	5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyvinyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-1,2,6,7a-tetrahydro-7h-pyrazolo[4,3-d]pyrimidin-7-one
+c1cc(cc(c1)C2CC2)CN[C@H]3CS(=O)(=O)C[C@H]([C@@H]3O)Cc4ccc(c(c4)Br)O	3P5	(3s,4s,5r)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+C[C@@]12Cc3c(c(n[nH]3)C(=O)Nc4cnn(c4)[C@H](c5ccccc5)[C@H]6CCCCS6(=O)=O)C[C@@H]1C2(F)F	3P6	(4as,5ar)-n-{1-[(r)-[(2r)-1,1-dioxidotetrahydro-2h-thiopyran-2-yl](phenyl)methyl]-1h-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide
+CO[C@@](C=O)([C@@H]1N=C(C(=C)CO1)C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O	3P7	(2r)-2-[(1r)-1-{[(2r)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3 -oxazine-4-carboxylic acid
+C[NH3+]	3P8	methylammonium ion
+C[C@@H](CO)OC[C@H](C)OC[C@@H](C)O	3P9	(2s)-2-{[(2s)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
+C1CCC(C1)CCC(=O)O	3PA	3-cyclopentyl-propionic acid
+C[C@H](CC(=O)O)OP(=O)(O)O	3PB	(3r)-3-(phosphonooxy)butanoic acid
+CCCCCC(=O)OC[C@H](CCP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC	3PC	(3s)-3,4-di-n-hexanoyloxybutyl-1-phosphocholine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N=C(NC2=O)N	3PD	2-amino-9-(2-deoxy-3-o-phosphonopentofuranosyl)-1,9-dihydro-6h-purin-6-one
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	3PE	1,2-distearoyl-sn-glycerophosphoethanolamine
+CN1Cc2ccccc2NC1=O	3PF	3-methyl-3,4-dihydroquinazolin-2(1h)-one
+C([C@H](C(=O)O)O)OP(=O)(O)O	3PG	3-phosphoglyceric acid
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC	3PH	1,2-diacyl-glycerol-3-sn-phosphate
+CCC[C@H](O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC	3PI	(1s)-2-(1-hydroxybutoxy)-1-{[(hydroxy{[(2r,3s,5r,6s)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}ethyl butyrate
+C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(CCC(=O)N)c4ccccc4)(C(F)(F)F)O	3PJ	n-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
+CCCCCC(=O)O[C@@H](C)COC(=O)CCCC	3PK	(2s)-1-(pentanoyloxy)propan-2-yl hexanoate
+c1ccc(cc1)CCC=O	3PL	3-phenylpropanal
+CC(C)(C)OC[C@H](C(=O)O)N	3PM	o-tert-butyl-d-serine
+OP(=O)(O)OP(=O)(O)OP(=O)(O)O	3PO	triphosphate
+C(CP(=O)(O)O)C(=O)O	3PP	3-phosphonopropanoic acid
+C[C@]1(C(=O)NC(=O)N1)CNC(=O)COc2ccc(cc2)Cl	3PQ	2-(4-chlorophenoxy)-n-{[(4r)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide
+Cc1nc2c(cccc2C(=O)Nc3ccc(nc3)OC)c(n1)N	3PS	4-amino-n-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide
+CCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC	3PT	(2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate
+c1cc2c(cc1Cl)cc(o2)C(=O)NC[C@@]3(C(=O)NC(=O)N3)c4nccs4	3PU	5-chloro-n-{[(4r)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide
+Cn1ccnc1[C@]2(C(=O)NC(=O)N2)CNC(=O)c3cc4cc(ccc4o3)Cl	3PW	5-chloro-n-{[(4s)-4-(1-methyl-1h-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide
+CC(C)O[C@H]1CCN[C@@H]1C(=O)O	3PX	(3s)-3-(propan-2-yloxy)-l-proline
+C(C(=O)C(=O)O)O	3PY	3-hydroxypyruvic acid
+Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccccc5	3PZ	(3r)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile
+CCNc1cc(nc(n1)N)c2ccc3c(c2)n[nH]c3N	3Q0	6-(3-amino-2h-indazol-6-yl)-n~4~-ethylpyrimidine-2,4-diamine
+c1cc2c(cc1c3cc(nc(n3)N)N4CCOCC4)n[nH]c2N	3Q1	6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2h-indazol-3-amine
+C[C@@H]1COCC[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N	3Q2	6-{2-amino-6-[(3r)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2h-indazol-3-amine
+c1ccc(cc1)NC(=O)[C@@H]2C[N@@](CCO2)c3cc(nc(n3)N)c4ccc5c(c4)n[nH]c5N	3Q3	(2s)-4-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-n-phenylmorpholine-2-carboxamide
+C[C@@H]1CC[C@@H](C[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)C(=O)Nc5ccccc5	3Q4	(3s,6r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-6-methyl-n-phenylpiperidine-3-carboxamide
+C[C@H]1CC[C@H](C[N@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C	3Q5	tert-butyl {(3r,6s)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate
+C[C@@H]1C[C@H](C[N@](C1)c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C	3Q6	tert-butyl {(3r,5r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate
+C[As+](C)(C)CC(=O)[O-]	3Q7	(trimethylarsonio)acetate
+CCC1=C(C(=NC1=O)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC\4=NC(=O)[C@H](/C4=C\C)C)C)CCC(=O)O)CCC(=O)O)C)C	3Q8	3-[2-[[5-[[(3e,4s)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CCSCCOCCO	3QA	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol
+CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O	3QB	lincomycin
+Cc1ccc2c(c1C)CN(C[C@@H]2c3cccc(c3)O)C(=O)N(C)C	3QC	(4r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide
+B(CC)(O)O	3QD	ethylboronic acid
+c1nc2c(n1C[C@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N	3QE	{[(2r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
+c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CC=O)CCP(=O)(O)O)N=C(NC2=O)N	3QF	[2-([2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid
+c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O)NC=NC2=O	3QG	[2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9h-purin-9-yl)ethyl]amino)ethyl]phosphonic acid
+Cc1ccc(cc1)[C@@H](C)Nc2c3cc(ccc3ncc2C(=O)N)C#N	3QH	6-cyano-4-[[(1r)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide
+Cc1ccnc(c1)N2C(=O)c3c(c(sc3N=C2S)C)C	3QI	5,6-dimethyl-3-(4-methyl-2-pyridinyl)-2-thioxo-2,3-dihydrothieno[2,3- d]pyrimidin-4(1h)-one
+[B-](CCCCCC)(O)(O)O	3QJ	hexyl(trihydroxy)borate(1-)
+[B-](CCCCCCCC)(O)(O)O	3QK	trihydroxy(octyl)borate(1-)
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O	3QL	n-[(1r,2s,3r,4r,5r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide
+C[C@H](Cc1ccccc1)N=O	3QM	[(2r)-2-nitrosopropyl]benzene
+Cc1ccc(c(c1O)/C=N/CCCC[C@@H](C(=O)O)N)COP(=O)(O)O	3QN	(e)-n~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-l-lysine
+c1ccc(cc1)Cc2ccncc2	3QO	4-benzylpyridine
+Cc1ccc(c(c1O)/C=N/[C@@H](CC(=O)O)C(=O)O)COP(=O)(O)O	3QP	(e)-n-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-l-aspartic acid
+CC(C)CN(Cc1ccc(cc1)F)S(=O)(=O)c2ccc(nc2)NC3CCN(CC3)S(=O)(=O)C	3QQ	n-(4-fluorobenzyl)-n-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide
+c1cc2c(cc1n3cc(nn3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)S(=O)(=O)NC2=O	3QR	[1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1h-1,2,3-triazol-4-yl]methyl alpha-l-idopyranoside
+COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3	3QS	1-cyclopentyl-n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1h-pyrrolo[3,2-c]pyridin-6-amine
+Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5	3QT	6-{[6-(1-methyl-1h-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline
+c1cc(ccc1Cc2ccncc2)[N+](=O)[O-]	3QU	4-(4-nitrobenzyl)pyridine
+c1cc2c(cc1O)OC(=O)C(=C2)C#N	3QV	7-hydroxy-2-oxo-2h-chromene-3-carbonitrile
+CC(C)n1c2cc(ncc2cc1c3c[nH]nc3)Nc4ccnc(n4)N5CCC(CC5)OC	3QW	n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
+C[C@@]1(CCC[C@H]1Nc2c3cccn3ncc2C(=O)N)F	3QX	4-{[(1r,2s)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide
+COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3	3QY	n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
+CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O	3QZ	(9beta)-17-hydroxypregn-4-ene-3,20-dione
+COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)[nH]c(n4)c5c[nH]nc5	3R0	n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1h-pyrazol-4-yl)-3h-imidazo[4,5-c]pyridin-6-amine
+Cc1cc(nc(n1)N[C@@H](C)CO)Nc2cc(ccn2)NC(=O)c3c(cccc3Cl)Cl	3R1	2,6-dichloro-n-{2-[(2-{[(2s)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide
+C[C@H]1C[C@@H](C[C@H]([C@@H]1O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O	3R2	2'-deoxy-5'-o-[(r)-{[(r)-{[(1s,3r,4r,5s)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(NP(=O)(O)O)O)O)O)OP(=O)(O)O	3R3	[[[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
+c1cc2c(cc1F)sc(c2Cl)C(=O)O	3R4	3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
+COc1ccc(c(c1)C=O)OCc2cccnc2	3R5	5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
+CSc1ccc(c(c1)C(=O)O)O	3R6	2-hydroxy-5-(methylsulfanyl)benzoic acid
+C=Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2)C(=O)O	3R7	4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid
+C1[C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O	3R9	(3s,5s,7ar)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
+c1ccc(cc1)NC2=NC(=O)C(=N2)Cc3ccc4c(c3)OCO4	3RA	5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4h-imidazol-4-one
+C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCCc2c1cccc2	3RB	(2e,4e,6z,8e)-3,7-dimethyl-8-(6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylidene)octa-2,4,6-trienoic acid
+c1ccc(cc1)Cn2cc(nn2)c3c[nH]c4c3cccn4	3RC	3-(1-benzyl-1h-1,2,3-triazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
+Cc1c(c(c(c(n1)/N=N/c2ccc(cc2)C(=O)O)COP(=O)(O)O)C=O)O	3RD	4-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid
+Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc[nH]n3)C4CCC(CC4)OC	3RE	2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1h-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8h)-one
+c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)N)Nc4cc([nH]n4)C5CC5	3RF	n~2~-(4-aminophenyl)-n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)quinazoline-2,4-diamine
+c1ccc(c(c1)C(=O)O)NCC(=O)O	3RG	2-[(carboxymethyl)amino]benzoic acid
+c1ccc(cc1)[C@@H]2Cc3cnc(nc3-c4c2cccc4)N	3RH	(6s)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
+C1[C@@H]([C@H]([C@@H]([C@H](CN1CCO)O)O)O)O	3RI	(3s,4r,5r,6s)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol
+c1ccc2c(c1)c(nc(n2)Nc3ccc4c(c3)[nH]cn4)Nc5cc([nH]n5)C6CCC6	3RJ	n~2~-(1h-benzimidazol-6-yl)-n~4~-(5-cyclobutyl-1h-pyrazol-3-yl)quinazoline-2,4-diamine
+C1[C@@H]([C@H]([C@@H]([C@H](CN1)O)O)O)O	3RK	(3s,4r,5r,6s)-azepane-3,4,5,6-tetrol
+COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O	3RL	pterostilbene
+c1cc(ccc1OCCN2CCN(CC2)c3[nH]c(nn3)N)Br	3RM	5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4h-1,2,4-triazol-3-amine
+C1CC(=O)C(=C1)CO	3RN	2-(hydroxymethyl)cyclopent-2-en-1-one
+c1cc(cc(c1)Cl)CCC2=C(NC(=O)NC2=O)C(=O)O	3RO	5-[2-(3-chlorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1cc(nc(n1)N)c2cc(c(cc2Cl)Cl)OC	3RP	4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine
+Cc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)Cl)OC	3RQ	4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1c(c2c(nc(nc2[nH]1)C)c3cc(c(cc3Cl)Cl)OC)C#N	3RR	4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)N[C@@H]4CCOC(C4)(C)C	3RS	(2r)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-[(4r)-2,2-dimethyltetrahydro-2h-pyran-4-yl]-2-methylpropanamide
+c1cc(n2c(c1)nc(n2)Nc3ccc4c(c3)[nH]nc4NC5CCOCC5)CC6CCOCC6	3RT	n~3~-(tetrahydro-2h-pyran-4-yl)-n~6~-[5-(tetrahydro-2h-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1h-indazole-3,6-diamine
+c1ccc2c(c1)cc(c(n2)N)CCC(=O)NCC3CCCCC3	3RU	3-(2-aminoquinolin-3-yl)-n-(cyclohexylmethyl)propanamide
+c1ccc2c(c1)cccc2/C=C\3/C(=O)N=C(S3)Nc4ccc(cc4C(=O)O)F	3RV	5-fluoro-2-{[(5z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid
+CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)NCCc4cccnc4	3RW	[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone
+CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C	3RX	n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-n'-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine
+c1ccc2c(c1)cccc2CC3=SC(=NC3=O)Nc4ccccc4C(=O)O	3RY	2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4h-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid
+Cc1nc2c(cccc2C(=O)Nc3cc[nH]n3)c(n1)N	3RZ	4-amino-2-methyl-n-(1h-pyrazol-3-yl)quinazoline-8-carboxamide
+CO/N=C(/c1ccco1)\C(=O)N[C@@H]([C@@H]2N=C([C@H](CS2)COC(=O)N)C(=O)O)C(=O)O	3S0	(2r,5s)-5-[(carbamoyloxy)methyl]-2-[(r)-carboxy{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1ccc(c(c1)CO)c2ccc3c(c2)C=CNC3=O	3S1	6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2h)-one
+CNCCCCNC(=O)N1CC[C@H]([C@H]1C=O)NS(=O)(=O)O	3S2	[(2s,3r)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid
+C[C@@H]1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)[NH3+]	3S3	(1r)-2-({(r)-carboxy[(2r,5s)-4-carboxy-5-methyl-5,6-dihydro-2h-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium
+C[C@@](CCO)(CC(=O)O)OP(=O)(O)O	3S4	(3r)-5-hydroxy-3-methyl-3-(phosphonooxy)pentanoic acid
+[H]/N=C(/N)\NCCS(=O)(=O)O	3S5	taurocyamine
+C=CCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O	3S6	prop-2-en-1-yl beta-d-galactofuranoside
+c1ccc(cc1)COC(=O)NCC#N	3S9	benzyl (cyanomethyl)carbamate
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O)CO	3SA	acarbose derived trisaccharide
+Cc1cc(cc(c1/C=N/NC(=O)[C@H](c2ccccc2)N)O)O	3SB	(2s)-2-amino-n'-[(1e)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide
+c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)c(cn3)SC#N)NCc4ccncc4	3SC	5-(2,3-dichlorophenyl)-n-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine
+Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c3cc(on3)C	3SD	n~4~-(2,2-dimethylpropyl)-n~1~-{(2s)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-n~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-l-aspartamide
+c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F	3SE	4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one
+c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCCC(F)(F)F	3SF	5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one
+COC(=O)c1ccc(c(c1)NC(=O)c2cccc(c2)c3cc(ccc3CN)C(=O)Nc4ccncc4F)F	3SG	methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate
+CCOC(=O)c1c(nc(s1)Nc2ccc(c(c2)Cl)C)c3ccccc3	3SH	ethyl 2-[(3-chloro-4-methylphenyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
+Cn1cc(c(n1)COc2ccc(cc2)c3ccc4ccccc4n3)C5=CN(C(=O)C=C5)C	3SJ	1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1h-pyrazol-4-yl)pyridin-2(1h)-one
+Cc1ccccc1C(=O)O	3SK	2-methylbenzoic acid
+C([C@@H](C(=O)O)O)S(=O)(=O)O	3SL	(2r)-3-sulfolactic acid
+CNc1c2c(c3cc([nH]c3n1)c4cccc(n4)CNC(=O)COC)n(cn2)C	3SM	2-methoxy-n-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide
+CC(=O)N1CCN(CC1)c2ccc(c(c2)F)CN(C3CCC3)S(=O)(=O)c4ccccc4	3SN	n-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-n-cyclobutylbenzenesulfonamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)Cc2c[nH]c3c2cccc3)O	3SO	{5-hydroxy-4-[(1e)-4-(1h-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate
+[H]/N=C(/c1ccc(s1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N	3SP	n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({5-[(e)-amino(imino)methyl]thien-2-yl}methyl)-l-prolinamide
+c1cc(ccc1c2c[nH]cn2)F	3SQ	4-(4-fluorophenyl)-1h-imidazole
+CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)c4ccco4	3SR	8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1h-purine-2,6-dione
+C(CSS)C(=O)O	3SS	3-disulfanylpropanoic acid
+CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C(=O)N	3ST	1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl]methyl}piperidine-4-carboxamide
+c1cc2c(cc1Br)[nH]cc2/C=C(/C(=O)O)\S	3SU	(2z)-3-(6-bromo-1h-indol-3-yl)-2-sulfanylprop-2-enoic acid
+CCC1=C(/C(=C/C(C)CCCC(C)CC(=O)O)/CCC1)CCC(C)C	3SV	(3s,7s,8e)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid
+CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C2CC2	3SW	(2e,4e,6z,8e)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid
+CC(C)CN(Cc1ccc(cc1)N2CCN(CC2)C(=O)C)S(=O)(=O)Cc3ccccc3	3SX	n-[4-(4-acetylpiperazin-1-yl)benzyl]-n-(2-methylpropyl)-1-phenylmethanesulfonamide
+C(C(CO)(CO)CO)O	3SY	2,2-bis(hydroxymethyl)propane-1,3-diol
+c1cc(cc(c1)S(=O)(=O)[N@]2CCC[N@](CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)N	3SZ	3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline
+Cc1ccc(cc1)CN2C(=O)/C(=C/c3cc(ccc3OC)Br)/SC2=O	3T0	(5z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione
+COc1cc(cc(c1O)Cl)C2C3=C(CC(CC3=O)c4ccccc4)Nc5ccccc5N2	3T1	(3s,11s)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
+CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C(C)C	3T2	(2e,4e,6z,8e)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid
+c1cc2c(cc1O)c3c4n2[Ru]56([N]7=C4C(=CC(=C7)F)C8=C3C(=O)NC8=O)([S]9CC[S]5CC[S]6CC9)[N]CS	3T3	[(amino-kappan)methanethiolato](3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h,12h)-dionato-kappa~2~n,n')(1,4,7-trithionane-kappa~3~s~1~,s~4~,s~7~)ruthenium
+c1cc(c(cc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)[N+](=O)[O-])C#N	3T4	{5-chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C	3T5	(11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate
+c1ccc(cc1)n2cc(nn2)CN(Cc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)c5nnc(s5)S(=O)(=O)N	3T7	2-({[1-(beta-d-glucopyranosyl)-1h-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole
+CNC(=O)c1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccc(cc4Cl)C(=O)N5CCN(CC5)C	3T8	n~2~-{2-chloro-4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-n~2~,n~8~-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide
+COc1cc(ccc1O)c2ccc3c([nH]nc3n2)c4ccccc4	3T9	2-methoxy-4-(3-phenyl-2h-pyrazolo[3,4-b]pyridin-6-yl)phenol
+Cc1c(cc(cn1)CCCN(C)C)Nc2ncc3c(n2)-c4ccc(cc4NC(=S)C3)Cl	3TA	9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6h-pyrimido[5,4-d][1]benzazepine-6-thi one
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]\1CCC/C1=C\[C@H](COP(=O)(O)O)NC(=O)[C@H](Cc2ccccc2)N	3TB	n-[(1e,2r)-1-[(2r)-2-{[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-l-phenylalaninamide
+C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N	3TC	4-amino-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1h)-one
+CN1C(=O)C(=CNC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3TD	(1s)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-o-phosphono-d-ribitol
+Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cccc4)C	3TE	2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-n-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC	3TF	(2s)-1-(alpha-d-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11z)-octadec-11-enoate
+c1ccc(cc1)C(CC(=O)Cn2ccnc2)c3ccccc3	3TG	1-(1h-imidazol-1-yl)-4,4-diphenylbutan-2-one
+c1ccc2c(c1)C[C@H](C(=O)N2)NC(=O)c3cc4cc(sc4[nH]3)Cl	3TH	2-chloro-n-[(3r)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide
+c1ccc2c(c1)ccc(c2/C=N/c3ccc(cc3)O)O	3TI	1-{(e)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol
+CCN1CNS(=O)(=O)c2c1ccc(c2)F	3TJ	4-ethyl-7-fluoro-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3ccccc3)C	3TK	n-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
+C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4	3TL	benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
+CC1(CCC(c2c1cc(c(c2)OC)c3cc(ccc3O)\C=C\C(=O)O)(C)C)C	3TN	(2e)-3-[4-hydroxy-3-(3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acid
+C[N@@](Cc1cccc(c1)CCc2cccnc2N)Cc3ccco3	3TO	3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine
+C[C@H](c1nc(no1)c2ccc(cc2)S(=O)(=O)C)[C@@H](C(=O)N3CCCC3)N	3TP	(2s,3s)-3-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-oxo-1-pyrrolidin-1-ylbutan-2-amine
+CC(C)CN1CCC(CC1)S(=O)c2ccc(cc2)CNC(=O)c3cc4ccncc4o3	3TQ	n-(4-{(s)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide
+c1[nH]nc(n1)N	3TR	3-amino-1,2,4-triazole
+c1cc(ccc1CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N)N)CO)Cl	3TS	(2s,3s,4r,5r,6r)-2-(aminomethyl)-5-azanyl-6-[(2r,3s,4r,5s)-5-[(1r,2r,3s,5r,6s)-3,5-bis(azanyl)-2-[(2s,3r,4r,5s,6r)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=CC(=NC2=O)N	3TT	[[[[(2r,5s)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
+c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O	3TU	(2s)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2h-isoindol-2-yl)pentanedioic acid
+CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	3TV	2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide
+COCCOc1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O	3TW	4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1h-1,2,3-triazol-1-yl}phenol
+c1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O	3TX	4-[4-(quinolin-2-yl)-1h-1,2,3-triazol-1-yl]phenol
+c1ccc(cc1)CN/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N	3TY	3-[(3e)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine
+c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc(cc4)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3TZ	n-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-l-glutamic acid
+c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)O[C@H]5CNCCC56CC6)F	3U1	3-{6-[(4r)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1h-indazole
+C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)c2ccccc2	3U2	n-[(1s,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide
+C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)C	3U3	n-[(1s,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide
+c1ccc(c(c1)C(=O)O)F	3U4	2-fluorobenzoic acid
+c1ccc2c(c1)cc(cn2)c3c4cc(ccc4n[nH]3)c5cnc(s5)N	3U5	5-[3-(quinolin-3-yl)-2h-indazol-5-yl]-1,3-thiazol-2-amine
+c1cc(nc(c1)NC2CCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N	3U6	6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1h-indol-3-yl]-n-cyclopentylpyridin-2-amine
+c1cc(c(c(c1C(=O)CCc2[nH]ccn2)Cl)Cl)OCCCC(=O)O	3U7	4-{2,3-dichloro-4-[3-(1h-imidazol-2-yl)propanoyl]phenoxy}butanoic acid
+c1cc(c(cc1C(=O)CCc2[nH]ccn2)Cl)OCCCC(=O)O	3U8	4-{2-chloro-4-[3-(1h-imidazol-2-yl)propanoyl]phenoxy}butanoic acid
+C[C@H](c1cc(ccc1OC)F)Oc2cc(cnc2N)c3cnnn3C	3U9	3-[(1r)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-methyl-1h-1,2,3-triazol-5-yl)pyridin-2-amine
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@@H](O3)[C@@H](CO)O)(F)F)(F)F)O)O	3UA	(2r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydrofuran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+C[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)OC(C)C	3UB	propan-2-yl hydrogen (s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@H]([C@H](O3)CO)O)(F)F)(F)F)O)O	3UC	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,5s,6r)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate (non-preferred name)
+C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)CC(=O)Nc5ccc(c(c5)OC)C(=O)O	3UD	4-({[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid
+Cc1cc(ccc1[N+](=O)[O-])C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4	3UE	[4-(diphenylmethyl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone
+c1cc(ccc1SCCO)S(=O)(=O)N	3UF	4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
+C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F	3UG	2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide
+c1ccc(cc1)c2ccc(c(c2)C(=O)NCc3cccc(c3)[N+](=O)[O-])OCC(=O)O	3UH	({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid
+Cc1cn(c2c1cccc2)CCN3CCN(CC3)c4ccccc4c5cc(cc(c5)C(=O)NCCCN6CCCC6)C#N	3UJ	5-cyano-2'-{4-[2-(3-methyl-1h-indol-1-yl)ethyl]piperazin-1-yl}-n-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide
+c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	3UK	5'-o-[(s)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine
+c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3	3UL	n-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide
+C[C@@H]1[C@@H]2C[C@H]([C@@]3([C@@]([C@H]2CC=C1C=C)(CCC[C@]3(C)C(=O)O)C)O)O	3UM	(5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid
+CCOC(=O)C(CCNC(=O)OC(C)(C)C)(Cc1ccc(cc1)NS(=O)(=O)O)C(=O)OCC	3UN	(4-{4-[(tert-butoxycarbonyl)amino]-2,2-bis(ethoxycarbonyl)butyl}phenyl)sulfamic acid
+COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3	3UO	2-[(cyclopropylcarbonyl)amino]-n-(4-methoxypyridin-3-yl)pyridine-4-carboxamide
+c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(c3)NC(=O)C4CC4	3UP	2-[(cyclopropylcarbonyl)amino]-n-(4-phenylpyridin-3-yl)pyridine-4-carboxamide
+C1=CC23=C4([Ru+]2567892%10([CH]3=[CH]5[CH]6=[CH]74)[CH]3=[CH]8C9[CH]2=[CH]%103)C=C1	3UQ	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+)
+c1cc(c(c(c1)F)c2ccc3c(c2)c([nH]n3)c4cncc(n4)N5CCC[C@@H](C5)N)F	3UR	(3s)-1-{6-[5-(2,6-difluorophenyl)-2h-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine
+CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4NCCCCNC(=O)C)O)O	3US	n-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine
+c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(nc(c5O3)F)C6=CCCOC6	3UT	(5s)-3-(5,6-dihydro-2h-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
+CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2OCCC4)c5cccnc5F)N=C1N	3UW	(4s,4a's,10a'r)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1h)-one
+C[C@@]12CCCO[C@H]1[C@@]3(c4cc(ccc4O2)c5cccnc5F)C(=O)N(C(=N3)N)C	3UX	(4s,4a'r,10a's)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'h-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1h)-one
+C[C@@]12CCCO[C@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F	3UY	(4r,4a'r,10a's)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine
+COc1cc(ccc1OCC#C)CCNC(=O)[C@H](c2ccc(cc2)Cl)OCC#C	3UZ	(2s)-2-(4-chlorophenyl)-n-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide
+c1cc(c(cc1I)F)Nc2c3cnccc3oc2C(=O)NOC[C@@H](CO)O	3V0	n-{[(2r)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide
+Cc1c(sc(n1)Cl)C(=O)Nc2cccc(c2)Oc3ccc(cc3)NC(=O)/C(=C(/C4CC4)\O)/C#N	3V1	2-chloro-n-[3-(4-{[(2z)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enoyl]amino}phenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
+CC[C@H](N)P(=O)(O)O	3V2	[(1r)-1-aminopropyl]phosphonic acid
+C(COCCOCCOCCOCCN)C(=O)O	3V3	1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid
+CC1=CC[C@H]2[C@@H](C1)C2(C)C	3V4	(+)-3-carene
+CC(=O)[C@H](C=O)[C@@H]1C[C@@H]([C@H](N1)C(=O)O)SCNCN	3V5	(3s,5s)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2s)-1,3-dioxobutan-2-yl]-l-proline
+C[C@@H]1CC(=C2[C@@H]([C@H]1O)[C@H]([C@@](OC2=O)(C)C(Cl)Cl)NC(=O)[C@H](C)N)O	3V6	bactobolin a
+c1c(nnn1CCCO)CO	3V7	3-[4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl]propan-1-ol
+c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CCC(=O)O	3V8	(4s)-4-[4-(2-carboxyethyl)-1h-1,2,3-triazol-1-yl]-l-proline
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O	3V9	n-(1,3-benzodioxol-5-ylmethyl)-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+C([C@H]([C@@H](CO)O)O)O	3VB	d-threitol
+CC(c1cc2ccc(cc2nc1c3ccccn3)F)Nc4c5c([nH]cn5)ncn4	3VC	n-{(1s)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine
+C[C@@H](c1cc2cccc(c2nc1c3cccc(c3)F)Cl)Nc4c5c([nH]cn5)ncn4	3VD	n-{(1s)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9h-purin-6-amine
+Cc1c(cccn1)c2c(cc3cccc(c3n2)Cl)[C@H](C)Nc4c5c([nH]cn5)ncn4	3VE	n-{(1s)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine
+CC(C)(c1cc(cc(c1)Cl)Cl)C(=O)c2cc(ccc2OC)C(=O)NCc3ccnc(n3)C#N	3VF	n-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@@H](C=C6)C=C[C@H]7C(=O)O	3VH	 (3ar,5as,8s,10as)-1-[(3s,6r,8as)-1'-[(2s)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid
+c1c(cc[n+](c1)C[n+]2ccc(cc2)/C=N/O)/C=N/O	3VI	1,1'-methylenebis{4-[(e)-(hydroxyimino)methyl]pyridin-1-ium}
+[H]/N=C\CNC(=O)CNC(=O)c1ccc(c(c1)C(=O)C(C)(C)c2cc(cc(c2)Cl)Cl)OC	3VJ	3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-n-(2-{[(2z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide
+CCN[C@@H](c1cc(cc(c1)Cl)Cl)C(=O)N[C@H](C(=O)NCC(=O)NCCCS(=O)(=O)C)C(C)(C)C	3VK	n-[(2s)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-l-valyl-n-[3-(methylsulfonyl)propyl]glycinamide
+CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O	3VL	methyl (1r,2r,4s)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
+c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)n[nH]c4N)NC(=O)C5CCC(CC5)CN	3VM	trans-n-{(1s)-1-[4-(3-amino-2h-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide
+C(CCN)C[C@@](CC[C@](CCCCN)(C(=O)O)N)(C(=O)O)N	3VN	(2r,5r)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid
+c1cc(c(cc1F)F)[C@]23COCC[C@H]2CSC(=N3)N	3VO	(4ar,8as)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF	3VP	(4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+c1ccnc(c1)c2ccc(s2)C(=O)N	3VQ	5-(pyridin-2-yl)thiophene-2-carboxamide
+CNCc1ccc(cc1)Cn2cccn2	3VR	n-methyl-1-[4-(1h-pyrazol-1-ylmethyl)phenyl]methanamine
+c1cc(ccc1C(=O)N)n2ccnc2	3VS	4-(1h-imidazol-1-yl)benzamide
+B1(c2cc(c(c(c2[C@H](O1)CC(=O)O)C)C)Oc3cnccn3)O	3VT	[(3r)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid
+B1(c2cc(c(c(c2[C@H](O1)CC(=O)O)C)C)Oc3nc(ns3)N)O	3VU	{(3r)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	3VV	s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9z)-octadec-9-enethioate (non-preferred name)
+c1ccc(cc1)C(=O)C2CCNCC2	3VW	phenyl(piperidin-4-yl)methanone
+CC(=O)Nc1ccc2c(c1)C=CC2=O	3VX	n-(1-oxo-1h-inden-5-yl)acetamide
+Cn1cc(c2c1cccc2)CC(=O)O	3VY	(1-methyl-1h-indol-3-yl)acetic acid
+CC(C)c1ccc(cc1)Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O	3VZ	{6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1h-indol-3-yl}acetic acid
+c1cc(ccc1CN)Cn2cc(cn2)Cl	3W1	1-{4-[(4-chloro-1h-pyrazol-1-yl)methyl]phenyl}methanamine
+CC(C)(C)n1cc2c(n1)C(=O)CC3(O2)CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5	3W2	2'-tert-butyl-1-(2h-indazol-5-ylcarbonyl)-2'h-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'h)-one
+C=CCOc1ccc(cc1)S(=O)(=O)N	3W3	4-(allyloxy)benzenesulfonamide
+c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@@H]5CCCS(=O)(=O)C5	3W4	n-[(3r)-1,1-dioxidotetrahydro-2h-thiopyran-3-yl]-4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide
+c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@H]5CCCS(=O)(=O)C5	3W5	n-[(3s)-1,1-dioxidotetrahydro-2h-thiopyran-3-yl]-4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide
+CCCOc1ccc(cc1)S(=O)(=O)N	3W6	4-propoxybenzenesulfonamide
+CC(C)n1c2c(cn1)CC3(CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5)CC2=O	3W7	1'-(2h-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6h)-one
+CCOc1ccc(cc1)S(=O)(=O)N	3W8	4-ethoxybenzenesulfonamide
+CCN(CC)c1ccc(cc1)C=O	3W9	4-(diethylamino)benzaldehyde
+c1nc(c2c(n1)NC=CC2=O)N	3WA	4-aminopyrido[2,3-d]pyrimidin-5(8h)-one
+Cc1cc(c2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81)C	3WB	(10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium
+Cc1cc(nc2c1cccc2)N3CCNCC3	3WC	4-methyl-2-(piperazin-1-yl) quinoline
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)c3nccs3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N	3WD	2-methyl-l-alanyl-n-[(3r,4s,5s)-3-methoxy-1-{(2s)-2-[(1r,2r)-1-methoxy-2-methyl-3-oxo-3-{[(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+[H]/N=C/1\N[C@@H]2[C@@]3(N1)CCCN3C(=O)c4n2c5ccccc5c4Br	3WE	(2e,3ar,14as)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4h,8h-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O	3WF	ethinyl estradiol
+[C@@H]12[C@@H]([C@H](C([C@H]1Cl)Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	3WG	trans-nonachlor
+CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)I	3WH	n-ethyl-4-{[4-(1h-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide
+c1cc(ccc1N)N2C=CC(=O)c3c2ncnc3N	3WJ	4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8h)-one
+c1cc(ccc1N)Nc2c3c(ncn2)N=CCC3=O	3WK	4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6h)-one
+c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2	3WL	5,6,7-trihydroxy-2-phenyl-4h-chromen-4-one
+CCCCCCCCC/C=C\CCCCCC[C@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCCC)O	3WM	(1s,8e,1'r,8'z)-1,1'-{[(2s)-3-hydroxypropane-1,2-diyl]bis(oxy)}bisoctadec-8-en-1-ol
+c1cc(cc(c1)Nc2c3c(ncn2)NC=CC3=O)N	3WN	4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8h)-one
+c1cc(cc(c1)Nc2c3c(ncn2)N=CCC3=O)N	3WO	4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6h)-one
+C[C@]1(CCSC(=N1)N)c2ccc(cc2F)F	3WP	(4s)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine
+CCCOc1ccn2c(c1)c(cc2C(=O)C)c3ccccc3S(=O)(=O)C	3WQ	1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone
+c1cc(ccc1NC(=O)Nc2cc(ccc2F)C(F)(F)F)N3C=CC(=O)c4c3ncnc4N	3WR	1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5h)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
+CC(C)(C(=O)O)NC	3WS	n,2-dimethyl-l-alanine
+CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)NC	3WT	(3r,4s,5s)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid
+C[C@H]([C@H]([C@@H]1CCCN1)OC)C(=O)O	3WU	(2r,3r)-3-methoxy-2-methyl-3-[(2s)-pyrrolidin-2-yl]propanoic acid
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC	3WV	n,2-dimethyl-l-alanyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+c1ccc(cc1)C[C@@H](c2nccs2)N	3WW	(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
+C[C@]1(CCCN1)C(=O)O	3WX	2-methyl-l-proline
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@]3(CCCN3)C	3WY	2-methyl-l-prolyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N	3WZ	2-methyl-l-alanyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+Cc1nnc2n1-c3ccccc3N(C[C@H]2C)c4ccc(cc4)Cl	3X0	(4r)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
+CCCCCCCCC/C=C/C(=O)O	3X1	(2e)-dodec-2-enoic acid
+c1ccc(c(c1)/C=N/Nc2nc(cs2)c3ccccc3Cl)C(=O)O	3X2	2-[(e)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid
+c1ccc(cc1)n2nc(nn2)c3ccccc3OCc4ccco4	3X3	5-[2-(furan-2-ylmethoxy)phenyl]-2-phenyltetrazole
+CC(C)(C(=O)NCCCC[C@H](C(=O)O)N)NC(=O)CN1C(=O)c2ccccc2C1=O	3X4	n~6~-{n-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]-2-methyl-d-alanyl}-d-lysine
+c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@@H]3CN[C@@H](Cc5cnc[nH]5)C=O	3X5	(2s)-2-({[(3r,4as,8ar)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N	3X6	(2e)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+c1cc(ccc1CN2CCCCC2)c3cc4c5cc(ncc5[nH]c4nc3)C#N	3X7	3-[4-(piperidin-1-ylmethyl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
+c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	3X8	biphenyl-4-yl alpha-d-mannopyranoside
+CC1(C=C(C(N1O)(C)C)CSSC[C@@H](C(=O)O)N)C	3X9	3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl]disulfanyl}-l-alanine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC(c3cccc(c3)F)(F)F	3XA	6-{[(3s,4s)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)F)(F)F	3XB	6-{[(3r,4r)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccc(cc3)F)(F)F	3XC	6-{[(3r,4r)-4-(2-{[2,2-difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F	3XD	6-{[(3r,4r)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C[C@H]1C[C@H](N=C(C1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F	3XE	(4s,6s)-6-{[(3r,4r)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methyl-3,4,5,6-tetrahydropyridin-2-amine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC([C@H]3CCCCN3)(F)F	3XF	6-({(3s,4s)-4-[2-({2,2-difluoro-2-[(2r)-piperidin-2-yl]ethyl}amino)ethoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine
+CCOC(=O)CSC1=Nc2c3ccccc3sc2C(=O)N1CCCN4CCCC4	3XG	ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
+c1cc(cc(c1)O)C(=O)NCC(=O)O	3XH	3-hydroxyhippuric acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)C2CCCCC2	3XI	n-[(2s)-3-methyl-1-[[(2s)-4-methyl-1-oxidanylidene-1-[[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide
+c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O	3XJ	4-{[3-chloro-4-(alpha-d-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid
+CC(=O)Nc1cccc(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N	3XK	n-[3-(6-cyano-9h-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
+c1ccc(c(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N)O	3XL	3-(2-hydroxyphenyl)-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
+CCCCCC(=O)C1=C(C(=CNC1=O)c2ccc(cc2)O)O	3XM	3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1h)-one
+c1cc(ccc1n2ccc3c2ccc(c3)[N+](=O)[O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	3XN	4-(5-nitro-1h-indol-1-yl)phenyl alpha-d-mannopyranoside
+CN1CCN(CC1)C2=C(C(=O)C2=O)Nc3ccc(c(c3)Cl)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	3XO	2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-d-mannopyranoside
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O	3XQ	(2s)-2,3-dihydroxypropyl octadecanoate
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](C[NH2+]1)C(=O)O)O)O	3XR	(2s,3r,4s,5s)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium
+COc1cccc(c1)c2csc(n2)N/N=C/c3ccccc3C(=O)O	3XS	2-[(e)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid
+[H]/N=C\CNC(=O)C1(CCCCC1)NC(=O)c2ccc(c(c2)F)N	3XT	4-amino-3-fluoro-n-(1-{[(2z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide
+CCCCCCCCCCCCC/C=C\[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	3XU	(4s,7s,23z)-4-hydroxy-7-[(1s,2z)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide
+c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cc(ncn3)NC4COC4)O	3XV	n-[(2s)-3-(3,4-dihydroisoquinolin-2(1h)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
+Cc1c(ccc2c1cc(n2Cc3c[nH]nc3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F	3XW	4-methyl-1-(1h-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+C/C=C/1\C(=O)C(=C(O1)C)O	3XX	(2e)-2-ethylidene-4-hydroxy-5-methylfuran-3(2h)-one
+c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N	3XY	5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5ncnc6N)O)O)N	3XZ	bis{[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate
+CCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H](O[C@@H]1S)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	3Y0	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r)-3-oxidanyl-5-sulfanyl-4-tridecoxy-oxolan-2-yl]methyl hydrogen phosphate
+c1cc(c(cc1Br)N)C(=O)NC2(CCCCC2)C(=O)NCC#N	3Y1	2-amino-4-bromo-n-{1-[(cyanomethyl)carbamoyl]cyclohexyl}benzamide
+[H]/N=C/CNC(=O)C1(CCCCC1)NC(=O)c2ccc(cc2N)Cl	3Y2	2-amino-4-chloro-n-(1-{[(2e)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide
+c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5CN)Cl	3Y3	1-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea
+COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)CCc4cc(ccc4n5cnnn5)Cl)Cl	3Y4	methyl (4-{4-chloro-2-[(1s)-1-({3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate
+c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5n6cnnn6)Cl	3Y5	1-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)benzyl]urea
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)NC(=O)N3C=CN(C(=O)C3=O)CC)(O)O	3Y6	3-[(2r)-2-(dihydroxyboranyl)-2-{[(2r)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2h)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid
+c1cc(c2c(c1N)non2)N3CCOCC3	3Y7	7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine
+CC1=C2[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@]([C@@H](N3)CC4=N[C@@](CC5=NC1[C@@](C5CCC(=O)O)(C)CC(=O)O)(C(=C4CCC(=O)O)CC(=O)O)C)(C)C=CC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O	3Y8	3-[(1r,2s,3s,7s,11s,16s,17r,18r,19r)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid
+c1cc(ccc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3Y9	n-{4-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-l-glutamic acid
+c1cc(ccc1CCCCc2cc3c(s2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3YA	n-{4-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-l-glutamic acid
+c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCCc2cc3c([nH]2)N=C(NC3=O)N	3YB	n-({4-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-l-glutamic acid
+c1c(csc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3YC	(s)-2-({5-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-3-carbonyl}amino)pentanedioic acid
+c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	3YD	(s)-2-(7-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)heptanamido)pentanedioic acid
+c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	3YE	(s)-2-(8-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)octanamido)pentanedioic acid
+c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCc2cc3c([nH]2)N=C(NC3=O)N	3YF	(s)-2-({4-[3-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid
+c1c(csc1CCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3YG	(s)-2-({5-[3-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid
+[H]/N=C(\c1cccc(c1)c2c(con2)C(=O)Nc3ccc(cc3)c4ccccc4S(=O)(=O)N)/N	3YH	3-(3-carbamimidoylphenyl)-n-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide
+Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)C=O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O	3YI	(2s,12z,14e,16s,17s,18r,19r,20r,21s,22r,23s,24e)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
+COc1cc(ccc1O)C[C@@H](C(=O)O)N	3YM	3-methoxy-l-tyrosine
+C[C@@H]1C(=O)[C@@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O	3YN	[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl (2r,4r,6r)-4-hydroxy-6-methyl-5-oxotetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+Cc1c(ccc(c1NC(=O)c2cc3ccccc3s2)F)C4=NNC(=O)C(=C4)Nc5cc6n(n5)CCN(C6)C	3YO	n-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide
+C1CCC(C1)CCC(=O)NO	3YP	3-cyclopentyl-n-hydroxypropanamide
+Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O	3YQ	{[(3-methylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid)
+c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3O[C@H]4CCNC4)F	3YR	2-(2,6-difluorophenyl)-n-{4-[(3s)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide
+c1cc(c(cc1NC(=O)c2ccc(cn2)F)[C@]34COC[C@H]3CSC(=N4)N)F	3YS	n-{3-[(4as,7as)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
+c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N	3YT	2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-{[3-(2h-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide
+c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc4c(c3)[nH]nc4N)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl	3YU	(2e)-n-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enamide
+c1cc(cc(c1)n2nccn2)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N	3YV	3-{[(1r,2s)-2-aminocyclohexyl]amino}-5-{[3-(2h-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](CO)O)CO)O)O	3YW	(2s)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
+c1cc2cc[nH]c2c(c1)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N	3YX	3-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)-1,2,4-triazine-6-carboxamide
+c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)[C@@H]4C(=O)NC(=O)N4	3YY	(5r)-5-[3-(4-fluorophenyl)-1-phenyl-1h-pyrazol-4-yl]imidazolidine-2,4-dione
+Cn1c2c(cc(cc2OC)C(=O)N3CC[C@H]([C@H](C3)N)O)nc1c4cc5cccnc5n4CC6CC6	3YZ	[(3s,4r)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1h-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1h-benzimidazol-5-yl}methanone
+CCn1c(cc2c1nccc2)c3nc4cc(cc(c4n3C)OC)C(=O)N5CCC[C@H](C5)N	3Z0	[(3r)-3-aminopiperidin-1-yl][2-(1-ethyl-1h-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1h-benzimidazol-5-yl]methanone
+Cc1ccc(c(c1c2ccc3c(c2)cnc(n3)NC)N)C(=O)Nc4ccc(c(c4)C(F)(F)F)OC	3Z1	2-amino-n-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
+CN1C(=C(C(=O)N1c2ccccc2)C(=O)Nc3ccc(cn3)Oc4ccnc5c4cc(c(c5)OC)OC)c6ccncc6	3Z2	n-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1h-pyrazole-4-carboxamide
+Cc1ccc(c(c1c2ccc3c(c2F)cnc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6	3Z3	4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
+Cc1ccc(c(c1c2ccc3c(c2)sc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6	3Z4	4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
+Cc1ccc(c(c1c2ccc3c(c2)ccc(n3)C)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6	3Z5	4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
+Cc1nc(c2c(cn(c2n1)C)c3ccc4c(c3)CCN4C(=O)Cc5cc(cc(c5)F)C(F)(F)F)N	3Z6	1-[5-(4-amino-2,7-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
+COc1cc(ccc1O)Br	3Z7	4-bromo-2-methoxyphenol
+c1cc2c(cc1Cl)C(=O)NCC2	3Z8	7-chloro-3,4-dihydroisoquinolin-1(2h)-one
+CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccc(c(c3)OC)OC)Nc4ccc5c(c4)C(=O)NCC5)NC(=O)OC	3Z9	methyl {3-[(2r)-1-{(2r)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate
+CN(C(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O)O	3ZA	(4r)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-l-glutamic acid
+c1cc2c(cc1Cl)cc([nH]2)C(=O)O	3ZB	5-chloro-1h-indole-2-carboxylic acid
+CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC	3ZC	6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-n-methylnaphthalene-1-carboxamide
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N	3ZD	(2r)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide
+c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N	3ZE	{2-[(3s,4r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
+c1nc2c(n1[C@H]3CCN(C3)C(=O)CP(=O)(O)O)N=C(NC2=O)N	3ZF	{2-[(3s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
+c1cc2cnccc2cc1NC(=O)NCC(=O)N3CCCC3	3ZG	1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea
+c1ccc(cc1)CCCCCCCCN2CN(C=C2C[C@@H](C(=O)O)N)CCCCCCCCCCC(=O)O	3ZH	11-{4-[(2s)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1h-imidazol-1-yl}undecanoic acid
+CC(C)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC	3ZJ	n-({(3s,4s)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-n-(propan-2-yl)benzamide
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CNC[C@H]2CN(C(C)C)C(=O)c3ccc(c(c3)OCCCOC)OC	3ZK	4-methoxy-3-(3-methoxypropoxy)-n-{[(3s,4s)-4-{[(4-methylphenyl)sulfonyl]amino}pyrrolidin-3-yl]methyl}-n-(propan-2-yl)benzamide
+C=C(C(=O)/C=C\NCCCC[C@@H](C(=O)O)N)N	3ZL	n~6~-[(1z)-4-amino-3-oxopenta-1,4-dien-1-yl]-l-lysine
+Cc1c(sc(n1)[C@H]([C@H]2CCCCN2)NC(=O)c3ccc([nH]3)c4ccc(cc4)Cl)CO	3ZM	5-(4-chlorophenyl)-n-{(s)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2r)-piperidin-2-yl]methyl}-1h-pyrrole-2-carboxamide
+CC(C)N(C[C@@H]1CNC[C@H]1OC(=O)NCc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC	3ZN	(3s,4s)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC(=O)NC2=O	3ZO	2'-deoxy-xanthosine-5'-monophosphate
+CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)O)OC	3ZP	2-[(4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-[(2r,3r,4r,5s,6r)-4-(dimethylamino)-5-[(2s,4r,5s,6s)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2r,3r,4r,5s,6r)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal
+C1CC[C@@H]([C@H](C1)O)O	3ZQ	(1s,2s)-cyclohexane-1,2-diol
+CCOP(=O)([C@H]([C@H](CC1=CC=NC1=O)NC(=O)[C@H](CC2CCCCC2)NC(=O)OCc3cccc(c3)Cl)O)OCC	3ZR	diethyl [(1r,2s)-2-[(n-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-l-alanyl)amino]-1-hydroxy-3-(2-oxo-2h-pyrrol-3-yl)propyl]phosphonate
+C1C[C@@H]2[C@H](C1)O2	3ZS	(1r,5s)-6-oxabicyclo[3.1.0]hexane
+COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(cc3)N	3ZU	(2s)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3h-indol-3-one
+COc1ccc(cc1)C2=Nc3ccc(cc3C2=O)OC	3ZV	5-methoxy-2-(4-methoxyphenyl)-3h-indol-3-one
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[In]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O	3ZZ	protoporphyrin ix containing indium
+CC[C@H](c1ccccc1)NC(=O)c2cc3c(s2)c(n[nH]3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	400	3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-n-[(1r)-1-phenylpropyl]-1h-thieno[3,2-c]pyrazole-5-carboxamide
+CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc(cc2F)C(F)(F)F)OC)C(=O)O	401	(2s)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid
+C1NC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	402	dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethanethiolatato-1kappas:2kappas)-mu-(oxomethylidene)diiron(2+)
+c1ccc(c(c1)N2CCN(CC2)C(=O)[C@@H]([C@H](C(=O)NCCc3cccs3)O)O)Cl	403	(2r,3r)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-n-(2-thiophen-2-ylethyl)butanamide
+CC[C@H](CO)Nc1nc2c(c(n1)NCc3ccccc3)[nH]nc2C(C)C	404	(2r)-2-{[7-(benzylamino)-3-(propan-2-yl)-1h-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol
+c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F	405	(3s)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
+Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)C[N@@]5CC[C@@H](C5)N(C)C	406	n-[3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3s)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl) benzamide
+Cc1cc(ccc1F)S(=O)(=O)N[C@H](C)C(=O)NO	407	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+c1ccc(cc1)[C@@H](CCN)Oc2ccc(cc2)C(F)(F)F	408	(3r)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
+C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)ncnc3N)N)O	409	n-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide
+C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1ncnc2N)N	40A	n-[(2s)-2-aminopropyl]-n-[(6-amino-9h-purin-9-yl)acetyl]glycine
+c1ccc(cc1)c2cccc(c2)c3cccc(c3)C(O)(P(=O)(O)O)P(=O)(O)O	40B	[hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid)
+C[C@@H](CN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N)N	40C	n-[(4-amino-2-oxopyrimidin-1(2h)-yl)acetyl]-n-[(2s)-2-aminopropyl]glycine
+CNCCC(c1ccccc1)Oc2ccc(cc2Br)C(F)(F)F	40D	3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-n-methyl-3-phenyl-propan-1-amine
+CC(C)NC(=O)C(=O)O	40E	oxo(propan-2-ylamino)acetic acid
+C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N	40F	(1s,2s,5r,6s)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
+C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1N=C(NC2=O)N)N	40G	n-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)acetyl]-n-[(2s)-2-aminopropyl]glycine
+C1CC12C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N	40H	(1r,4s,5s,6s)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O	40J	1,6-dichloro-1,6-dideoxy-beta-d-fructofuranosyl 4-chloro-4-deoxy-alpha-d-galactopyranoside
+c1cc(sc1)c2nnc3n2N=C([C@@H](S3)CC(=O)O)c4ccc(cc4)Cl	40K	[(7s)-6-(4-chlorophenyl)-3-(thiophen-2-yl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
+CC[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4	40L	5-fluoro-3-phenyl-2-[(1s)-1-(7h-purin-6-ylamino)propyl]quinazolin-4(3h)-one
+CCC(=O)Nc1cccc(c1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl)C	40M	n-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide
+c1ccc(c(c1)C2=CC(=O)c3cc4c(cc3N2)OCO4)F	40N	6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one
+C1CC[C@H]([C@@H](C1)O)O	40O	(1r,2r)-cyclohexane-1,2-diol
+C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O	40P	pinnatoxin a
+c1cc(ccc1C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N	40Q	4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid
+CCCCn1cncn1	40R	1-butyl-1h-1,2,4-triazole
+CC(CCO)CCO	40S	3-methylpentane-1,5-diol
+CC1=CN(C(=O)NC1=O)CC(=O)N(C[C@H](C)N)CC(=O)O	40T	n-[(2s)-2-aminopropyl]-n-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]glycine
+CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC3CC3	40U	n-{(2r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide
+COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4cc(c5cccnc5c4O)[N+](=O)[O-]	40V	n-{[(3r)-1-(2,3-dihydro-1h-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-n-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(cc3)C(=O)N	40W	4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide
+CCC[C@H]1Cc2c(c3c(n2-c4cc(c(cc4O1)C(=O)N)Cl)CC(CC3=O)(C)C)C	40X	(6s)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(cc4OCC2)C(=O)N	40Y	8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4cc(c(cc4N(CC2)Cc5ccco5)C(=O)N)Cl	40Z	2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5h-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide
+c1ccc(cc1)C(=O)N(c2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C4CCCCC4	410	4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid
+[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccc(cc2)NC(=O)c3cccc(c3)Br)c4ccccc4	411	3-bromo-n-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide
+[H]/N=C(\N)/NCCc1ccc(cc1)B2OC[C@H](O2)CO	412	(r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine
+COc1cc(ccc1OCc2ccccc2)[C@H](C(=O)N[C@@H](c3ccccc3)C(=O)O)Nc4ccc(cc4)C(=N)N	413	(s)-[(r)-2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoyl-phenylamino)-acetylamino]-phenyl-acetic acid
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@@](=O)([C@H](C2CCCCC2)NC(=O)OCc3ccccc3)O	414	(5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccccc2	415	1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea
+CC(C)(C)c1cc2c(cc1Cl)C=C([C@H](O2)C(F)(F)F)C(=O)O	416	(2s)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid
+c1c(c(cc(c1F)F)F)[C@H]2CC[C@@H](C[C@@H]2N)[N@@]3CCn4c(nnc4C(F)(F)F)C3	417	(1s,2r,5s)-5-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-2-(2,4,5-trifluorophenyl)cyclohexanamine
+COC(=O)c1c(cccc1OCCCCNC(=O)[C@H](Cc2ccc(cc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)OCC=C)O	418	2-{4-[2-(s)-allyloxycarbonylamino-3-{4-[(2-carboxy-phenyl)-oxalyl-amino]-phenyl}-propionylamino]-butoxy}-6-hydroxy-benz oic acid methyl ester
+C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)C(c3ccccc3)c4ccccc4)C(C)(C)C)NC	419	n-[(3ar,6s,6as)-1-(n-methyl-l-alanyl-3-methyl-l-valyl)octahydrocyclopenta[b]pyrrol-6-yl]-2,2-diphenylacetamide
+CC1(Cc2c(sc(n2)N3CCOCC3)C(=O)C1)C	41A	5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4h)-one
+c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)NC4CCOCC4)F)Cl	41B	1-[(1s)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1h)-one
+c1cc[n+](c(c1)CCO)CCCS(=O)(=O)[O-]	41D	3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate
+CC(=O)c1ccc(s1)C(=O)N2CCC(CC2)CCC(=O)Nc3cccc(c3)OC	41E	3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-n-(3-methoxyphenyl)propanamide
+c1ccc(cc1)N2CCN(CC2)C(=O)Nc3ccc4c(c3)nns4	41F	n-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide
+Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)O)O	41G	5-[2-(2-azanyl-7-methyl-6-oxidanylidene-1h-purin-9-ium-9-yl)ethanoyl]-2-oxidanyl-benzoic acid
+C[C@@H](c1ccccc1)[C@@H](C(=O)O)N	41H	(betas)-beta-methyl-l-phenylalanine
+c1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl	41I	4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide
+C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C	41J	pinnatoxin g
+C[C@]1(N[C@@H](CS1)C(=O)O)C(=O)O	41K	(2r,4r)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
+c1ccc(cc1)CC(=O)Nn2cnc3c2cccc3	41L	n-(1h-benzimidazol-1-yl)-2-phenylacetamide
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)N)N)NC(=O)N2	41M	n~6~-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}-l-lysinamide
+CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)OCO4	41N	1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone
+c1cc(cc(c1)Cl)C(=O)N2CCN(CC2)c3ccc4c(c3)C=CC4=O	41O	5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1h-inden-1-one
+COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)OC	41P	2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide
+[H]/N=C(/C[C@@H](C(=O)O)N)\O	41Q	4-imino-l-homoserine
+Cc1cc(ccc1F)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO	41R	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(2-methylpropyl)-d-valinamide
+CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(c(c1)OC)F	41S	n~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-n-hydroxy-n~2~-(2-methylpropyl)-d-valinamide
+CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1cccc(c1)COC	41T	n-hydroxy-n~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-n~2~-(2-methylpropyl)-d-valinamide
+CNCC[C@@H](c1ccccc1)Oc2ccccc2OC	41U	nisoxetine
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C/C=C3C[C@H](C[C@@H](C3)O)O)C	41V	(1r,3r,7z,14beta,17alpha)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C3C[C@H](C[C@@H](C3)O)O)C	41W	(1r,3r)-5-[(2z)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
+CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CNCCO3	41X	(2r)-2-[(r)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine
+C[C@@H]1c2ccc(c(c2CCN1[C@@H](C)c3ccc(cc3)C(C)C)c4cc(c(c(c4)F)O)NCC(C)C)OC	41Y	2-fluoro-4-[(1r)-6-methoxy-1-methyl-2-{(1s)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol
+Cc1cccc(c1CNc2cc(nc3c2cccc3C(=O)N)C)C	41Z	4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI	420	n-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]-2-iodoacetamide
+[H]/N=C(\c1ccc2cc(cc(c2c1)NC(=O)c3cccc(c3C)O)C(=O)OC)/N	421	6-carbamimidoyl-4-(3-hydroxy-2-methyl-benzoylamino)-naphthalene-2-carboxylic acid methyl ester
+c1cc2c(cc1CN3CCC(CC3)CN)cc([nH]2)c4c5ccc(cc5[nH]n4)C#N	422	3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)-1h-indazole-6-carbonitrile
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2cn(nn2)CCN(CCn3cc(nn3)CO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O	423	(1-{2-[bis(2-{4-[({(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl}oxy)methyl]-1h-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)methyl (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)Cl)S(=O)(=O)c5ccccc5Cl	424	(2s,4r)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCCc2cn(nn2)CCN(CCn3cc(nn3)CCO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CCO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O	425	2-(1-{2-[bis(2-{4-[2-({(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1h-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)ethyl (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid
+[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)\N	426	6-[(z)-amino(imino)methyl]-n-[3-(cyclopentyloxy)phenyl]-2-naphthamide
+[H]/N=C(\N)/Nc1ccc(cc1)B2OC[C@H](O2)CO	427	(r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenyl)guanidine
+CC(C)c1cn2c(n1)ccc(n2)O	428	2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol
+CC(=O)N[C@@H](Cc1ccc(c(c1)O)OCC(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O	429	2-{4-[2-acetylamino-3-(4-carboxymethoxy-3-hydroxy-phenyl)-propionylamino]-butoxy}-6-hydroxy-benzoic acid methyl ester
+c1cc2c(c[nH]c2nc1)C#N	42A	1h-pyrrolo[2,3-b]pyridine-3-carbonitrile
+C(CN)[C@H](C(=O)O)O	42B	4-amino-2-hydroxybutanoic acid
+CN(C)c1c2c(nc[nH]2)ncn1	42C	n,n-dimethyl-7h-purin-6-amine
+COC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	42D	3,5-dideoxy-5-[(methoxycarbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=CC(=NC2=O)N	42E	[(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
+CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)I)C(=O)OC	42F	methyl (1r,2s,3s,5s)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
+CC(C)NC[C@H](COc1ccc(cc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N)O	42G	4-{(2r)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-n-[2-(4-sulfamoylphenyl)ethyl]benzamide
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O	42H	(4r,7r,18z)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide
+c1ccc(cc1)C(=O)Nc2c3ccc(cc3[nH]n2)c4ccc(cc4)O	42I	n-[6-(4-hydroxyphenyl)-1h-indazol-3-yl]benzamide
+c1cc(c(cc1CCN)Cl)Cl	42J	2-(3,4-dichlorophenyl)ethanamine
+c1cc(ccc1N/N=C\2/c3c(ccc4c3nn[nH]4)NC2=O)S(=O)(=O)N	42K	4-[(2z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide
+CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)F)C(=O)OC	42L	methyl (1r,2s,3s,5s)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
+COc1cc(ccc1Oc2ccc(cc2[N+](=O)O)[N+](=O)O)CO	42M	{4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzene-1,3-diyl}bis[hydroxy(oxo)ammonium]
+c1ccc2c(c1)cccc2CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O	42O	(3~{r})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+COCCCNc1nc(c(c(n1)Cl)c2nc3ccccc3s2)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO	42P	(1r,2s,3r,5r)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol
+Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F	42Q	1-{2-fluoro-4-[(5-methyl-5h-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
+C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O	42R	(3s)-6-(4-bromophenyl)-3-hydroxy-1,3-dimethyl-2,3-dihydropyridin-4(1h)-one
+c1ccc(cc1)N/C(=N\O)/c2cccc(c2)C(F)(F)F	42S	n'-hydroxy-n-phenyl-3-(trifluoromethyl)benzenecarboximidamide
+c1ccc(cc1)/N=C(\c2cc(cc(c2)NC(=O)Nc3c(cccc3Cl)Cl)C(F)(F)F)/NO	42T	3-{[(2,6-dichlorophenyl)carbamoyl]amino}-n-hydroxy-n'-phenyl-5-(trifluoromethyl)benzenecarboximidamide
+c1cc(ccc1c2c(c[nH]n2)c3ccc(c(c3)C(F)(F)F)NCCN4CCNCC4)F	42U	4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]-n-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline
+CN1C(=O)/C(=C\C2=CNC(=O)C=C2)/NC1=S	42V	5-[(e)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1h)-one
+CN1C(=O)C(=CC2=CN(C(=O)C=C2)Cc3ccccc3)NC1=S	42W	(e)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1h)-one
+CCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	42X	n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-[2-(propanoylamino)ethyl]-beta-alaninamide
+CCC(=O)OC[C@@H](C(=O)O)N	42Y	o-propanoyl-l-serine
+c1c2c(cc(c1Cl)Cl)nc([nH]2)C(=O)NCC(=O)O	42Z	n-[(5,6-dichloro-1h-benzimidazol-2-yl)carbonyl]glycine
+C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cccc4	430	5-(1h-benzimidazol-1-yl)-3-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide
+Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2	431	2-(4-methylphenyl)-4h-chromen-4-one
+CCCC(=O)OC[C@@H](C(=O)O)N	432	o-butanoyl-l-serine
+CC(C)(C(=O)O)Oc1ccc(cc1)CCCN(CCc2c(cccc2Cl)F)C(=O)Nc3cccc(c3Cl)Cl	433	2-(4-{3-[1-[2-(2-chloro-6-fluoro-phenyl)-ethyl]-3-(2,3-dichloro-phenyl)-ureido]-propyl}-phenoxy)-2-methyl-propionic acid
+Cc1ccc2c(c1)C(=O)[C@]3(C2=O)[C@@H]([C@@H]([C@@H](O3)c4ccc(c(c4)Cl)Cl)C(=O)Nc5ccc(cc5)c6csnn6)C(=O)O	434	spiro[3-carboxy-4-{(4-[1,2,3]thiadiazol-4-yl-phenyl)-amino-carbonyl} -5-[3,4-dichloro-phenyl]-tetrahydrofuran-2,2'-5-methyl-indan-1,3-dione]
+Cc1cc(cc(c1O)C)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3	435	4-[(e)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide
+CC[C@H](C(=O)N1C[C@H](C[C@H]1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)F)O)NC(=O)[C@H](C)NC	436	(2s)-n-{(2r)-1-[(2r,4s)-2-{[6,6'-difluoro-3'-({(2r,4s)-4-hydroxy-1-[(2s)-2-{[(2s)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1h,1'h-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide
+CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3cccc4c3cccc4	437	1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1h-pyrazol-5-yl}-3-naphthalen-1-ylurea
+CN(C)c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)c4cccc(c4)CN)F)N5CC[C@H](C5)N(C)C)F)C(=O)O	438	2-[(6-{[3'-(aminomethyl)biphenyl-3-yl]oxy}-4-[(3r)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-difluoropyridin-2-yl)oxy]-4-(dimethylamino)benzoic acid
+CN(C)[C@@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl	439	6-chloro-n-{(3s)-1-[(1s)-1-(dimethylamino)-2,3-dihydro-1h-inden-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide
+COc1cc(ccc1O)c2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4	43A	(3z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1h-pyrrol-2-ylmethylene)-1,3-dihydro-2h-indol-2-one
+c1ccc(cc1)CCc2nc3cc(ccc3s2)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NCCSc6ccccc6	43B	3-nitro-n-{4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]benzoyl}-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide
+Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4ccccc4	43C	4-{1-[2-(4-methyl-1h-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1h-imidazol-5-yl}benzonitrile
+Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C	43D	4-{4-(1-methyl-1h-pyrazol-4-yl)-1-[2-(4-methyl-1h-1,2,3-triazol-1-yl)ethyl]-1h-imidazol-5-yl}benzonitrile
+c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl	43E	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea
+COc1cc(ccc1Oc2ccc(cc2Cl)Cl)CCl	43F	2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene
+c1ccc(cc1)c2cccc(c2)N3C=CC(=O)C(=C3)O	43G	1-(biphenyl-3-yl)-3-hydroxypyridin-4(1h)-one
+B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O	43H	[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
+CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3	43J	2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3h)-one
+c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)c6ccnc(c6)F	43K	(5s)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
+c1cc(cc(c1)Br)[C@@H]2C[C@@H](n3c(nnn3)N2)c4cccc(c4)Br	43L	(5s,7r)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
+Cc1cc(ccc1Cl)O	43M	4-chloro-3-methylphenol
+CCNc1cc(cc(c1C(=O)O)Oc2cccc(c2)Cl)[C@@H](c3ccccc3)N4CCC[C@@H](C4)N5C=C(C(=O)NC5=O)C	43N	2-(3-chlorophenoxy)-6-(ethylamino)-4-[(r)-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid
+Cc1c(c2cc(ccc2[nH]1)O)CCNC(=O)COC	43O	n-[2-(5-hydroxy-2-methyl-1h-indol-3-yl)ethyl]-2-methoxyacetamide
+CCc1cc(c(cc1O)O)c2c(c[nH]n2)c3c[nH]cn3	43P	4-(1h-imidazol-4-yl)-3-(5-ethyl-2,4-dihydroxy-phenyl)-1h-pyrazole
+C[C+](CO)[C@@H](COP(=O)(O)OP(=O)(O)O)O	43Q	(3s)-1,3-dihydroxy-4-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate
+CC(=O)Nc1nc2c(s1)CN(CC2)c3cc(cnc3)OC	43R	n-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
+c1coc2c1cc(cc2c3c4c([nH]cn4)nc(n3)N)Br	43S	6-(5-bromo-1-benzofuran-7-yl)-9h-purin-2-amine
+C[C@@H](c1ccccc1)NC(=O)c2cc(cc(c2)F)CN3C(=O)C[C@@](N=C3N)(C)C(C)C	43T	3-{[(4s)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4h)-yl]methyl}-5-fluoro-n-[(1s)-1-phenylethyl]benzamide
+COc1ccc(cc1c2c3c([nH]cn3)nc(n2)N)Br	43U	6-(5-bromo-2-methoxyphenyl)-9h-purin-2-amine
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)c3ccccc3)c4cc(ccc4Cl)Cl	43V	n-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide
+C#CCCOP(=O)(O)OP(=O)(O)O	43W	but-3-yn-1-yl trihydrogen diphosphate
+C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=C(C(=NC2=O)N)F	43X	[(2r,5s)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
+CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC	43Y	[(2r)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate
+c1cc(c(c(c1)F)Cl)CNC(=O)C2C[C@H]([C@H](C2)O)O	43Z	optactamide
+CC#CCOc1ccc(cc1)S(=O)(=O)CCCS	440	3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol
+c1ccc(cc1)CCNC(c2cc(ccc2O)Oc3c(cc(cc3Br)CC(O)O)Br)O	442	2-[3,5-dibromo-4-(4-hydroxy-3-{hydroxy[(2-phenylethyl)amino]methyl}phenoxy)phenyl]ethane-1,1-diol
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)C[C@H](C(=O)N3CCC(CC3)N4CCCNC4=O)O	443	1-(1-{(2s)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1h)-one
+c1ccc(cc1)S(=O)(=O)[N@@](CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O	444	n-(2,2,2-trifluoroethyl)-n-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide
+c1ccc(cc1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	445	n-[oxo(phenylamino)acetyl]-beta-d-glucopyranosylamine
+COC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)NC(=O)CCC(=O)O)Br)c4ccccc4	446	4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1h)-yl]methyl}phenyl)amino]-4-oxobutanoic acid
+COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5	447	n-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide
+C[C@@H]1c2nc(nn2CCN1C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F	448	(2r)-4-[(8r)-8-methyl-2-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrazin-7(8h)-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine
+C[N+]1(CCC(CC1)C(=O)O)C	449	4-carboxy-1,1-dimethylpiperidin-1-ium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)N	44A	9-beta-d-ribofuranuronosyl-9h-purin-6-amine
+c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)NCC(F)(F)F	44B	1,1,1,3,3,3-hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O	44C	4'-(4-{4-[(2-carboxyphenyl)amino]phenoxy}butoxy)-1,1'-biphenyl-4-carboxylic acid
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2O)O[C@H]3C[C@@](Cc4c3c(c5c(c4O)C(=O)c6ccccc6C5=O)O)(C(=O)CO)O)C)N)O	44D	7-[5-(4-amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-4-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy]-6,9,11-trihydroxy-9-(2-hydroxy-acetyl)-7,8,9,10-tetrahydro-naphthacene-5,12-dione
+CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC	44E	(2r)-3-(phosphonooxy)propane-1,2-diyl dihexanoate
+COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccsc2	44F	1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea
+CCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC	44G	(2s)-3-{[(r)-{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
+C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN(C2)CCNC)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl	44I	6-chloro-n-{(3s)-1-[(2s)-1-{(1r,5s)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@@H]([C@@H]3O)O)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N	44J	n-({[(1r,2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](C3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N	44K	n-({[(1r,3s)-3-(6-amino-9h-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N	44L	2',5'-dideoxy-2'-fluoro-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N	44M	2'-azido-2',5'-dideoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
+C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O	44N	2'-c-methyl-5'-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3CNC[C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N	44O	[(2s,6r)-6-(6-amino-9h-purin-9-yl)morpholin-2-yl]methyl {5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(CP(=O)(O)O)O)O)O	44P	5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N	44Q	3',5'-dideoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
+c1nc(c2c(n1)n(cn2)COCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N	44R	n-({2-[(6-amino-9h-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+C1[C@H]([C@@H](O[C@H]1O)[C@@H](COP(=O)(O)O)O)O	44S	2-deoxy-6-o-phosphono-beta-d-lyxo-hexofuranose
+CCc1ccncc1CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O	44T	7-[5-s-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N	44U	beta-phenyl-d-phenylalanyl-n-propyl-l-prolinamide
+C[C@H]1CNC2=C(N1)C(=O)NC(=N2)N	44V	(6s)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3h)-one
+CC1=NC2=C(NC1)N=C(NC2=O)N	44W	2-amino-6-methyl-7,8-dihydropteridin-4(3h)-one
+Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)F	44X	6-{(1s)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)OC)OC	44Z	4-[[(4s,5r)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(N2Cc3cccc(c3)N)O)Cc4cccc(c4)N)Cc5ccccc5)O)O	450	{[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([3-amino)phenyl]methyl-4,7-bia(phenylmethyl)-2h-1,3-diazepinone
+CC(=O)Nc1ccc2c(c1)OCCOCCOc3ccccc3OCCOCCO2	451	n-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide
+CC(=O)c1cc(c(cc1NCC(=O)Nc2ccccc2C(=O)O)Cl)F	452	2-{[n-(2-acetyl-5-chloro-4-fluorophenyl)glycyl]amino}benzoic acid
+CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3ccccn3)F)C(=O)Nc4ccc5c(c4)cn[nH]5	453	(4s)-4-{4-fluoro-3-[(pyridin-2-ylmethyl)carbamoyl]phenyl}-n-(1h-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
+c1ccc(cc1)C2(C3=NCCCN3C(=N2)N)c4ccccc4	454	8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
+c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)N)Cl	455	(3r,4r)-1-sulfamoyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+CC(=O)Nc1nc2c(s1)CN(CC2)c3cncc(n3)OC	456	n-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
+CC1=CC[C@]2(C[C@@H]1[C@H](OC2)c3ccc(cc3)O)CO	458	4-[(1s,2s,5s)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
+CC1CC[C@@]2(CO[C@@H]([C@H]1[C@H]2C)c3ccc(cc3)O)CO	459	4-[(1s,2s,5s,9r)-5-(hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
+CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	45A	5'-o-[(s)-hydroxy(methyl)phosphoryl]adenosine
+CC(=O)N1CCN(CC1)C(=O)Cc2ccc(cc2)Nc3ncc(c(n3)Nc4ccc(cc4)C(=O)Nc5ccccc5Cl)F	45B	4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-n-(2-chlorophenyl)benzamide
+c1c(c(cc(c1Cl)Cl)O)O	45C	4,5-dichlorobenzene-1,2-diol
+CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C	45D	beta,beta-carotene-4,4'-dione
+Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC	45E	1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
+C#CCO[C@H]1C[C@H](NC1)C(=O)O	45F	(4s)-4-(prop-2-yn-1-yloxy)-l-proline
+CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C	45H	beta,beta-carotene-4,4'-dione
+c1ccc(cc1)CCNS(=O)(=O)c2cc(ccc2C(=O)O)S(=O)(=O)N	45I	2-[(2-phenylethyl)sulfamoyl]-4-sulfamoylbenzoic acid
+B1(c2c(ccs2)C(=NN1C)Cl)O	45J	4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2h)-ol
+c1cc2c(cc1N/C=C\3/c4c(ccc5c4scn5)NC3=O)CS(=O)(=O)C2	45K	(8z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7h-[1,3]thiazolo[5,4-e]indol-7-one
+Cc1cccc(c1)C(=O)NN	45L	3-methylbenzohydrazide
+c1cc(ccc1C(=O)NNC2=NCCC2)Br	45M	4-bromo-n'-(3,4-dihydro-2h-pyrrol-5-yl)benzohydrazide
+c1cc2c(cc1CNC3CCCC3)OCO2	45N	n-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
+C[C@@H]1C[C@@H](CN(C1)Cc2nc(nc(n2)N(C)C)N)C	45O	6-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]methyl}-n,n-dimethyl-1,3,5-triazine-2,4-diamine
+c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)NCc4cc(cc(c4)Cl)Cl	45P	3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-n-(3,5-dichlorobenzyl)-benzamide
+Cc1cc(ccc1N)c2cc([nH]n2)NC(=O)c3ccc(cc3)CN4CCN(CC4)C	45Q	n-[3-(4-amino-3-methylphenyl)-1h-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+COc1cc(ccc1C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)c4c[nH]nc4	45R	7-{[2-methoxy-4-(1h-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1h-3-benzazepinium
+Cc1ccc([nH]1)C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CN)Cl	45S	n-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1h-pyrrol-2-yl)carbonyl]-l-prolinamide
+c1nc2c(n1C[C@@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N	45T	{[(2s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCC3)\N	45U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide
+CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C	45V	2-[(1s)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-n,n-dimethylacetamide
+C#CO[C@H]1C[C@@H](NC1)C(=O)O	45W	(4s)-4-(ethynyloxy)-d-proline
+c1cc(cnc1)CCN	45X	2-(pyridin-3-yl)ethanamine
+c1cc(ccc1CC(=O)NN)F	45Y	2-(4-fluorophenyl)acetohydrazide
+c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])F	45Z	2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile)
+Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4	460	2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1h-pyrazol-4-yl]-1,5-naphthyridine
+C[C@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl)N(C)C	461	(e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-{4-[(1r)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide
+[H]/N=C(\N)/NC(=O)Cc1c(csc1c2ccccc2Cl)c3ccc(cc3)OCCC	462	n-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide
+CC(=O)Nc1cccc(c1)CN	463	n-[3-(aminomethyl)phenyl]acetamide
+c1cc(cc(c1)C(=O)NCCN2CCCCC2)c3cc([nH]c3)CC4=C5C=C(C=CC5=NC4=O)NC(=O)N	464	3-[5-({5-[(aminocarbonyl)amino]-2-oxo-2h-indol-3-yl}methyl)-1h-pyrrol-3-yl]-n-(2-piperidin-1-ylethyl)benzamide
+CN1c2c3c(cc(nc3c(c(c2N)Cl)N=C)C(=O)N)C1=O	465	8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide
+CCOc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)c4ccccc4	466	n-[6-(3-ethoxyphenyl)-1h-indazol-3-yl]benzamide
+CC(C)(C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F	467	n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-n-(2,2,2-trifluoroethyl)-d-alaninamide
+Cc1c(cccc1Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3	468	(3s)-n-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
+C[C@@H]1C[N@]([C@H](CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F	469	2-(6-chloro-5-{[(2r,5s)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1h-indol-3-yl)-n,n-dimethyl-2-oxoacetamide
+CCCCN(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)c4nc(cc(n4)C)C	46A	n-butyl-4,6-dimethyl-n-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}pyrimidin-2-amine
+CCCCNc1c(nc2n1cc(cc2)Br)c3ccc(cc3)OCC(=O)O	46B	{4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy}acetic acid
+CCC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)C(=O)O)Cl)c4ccccc4	46C	4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1h)-yl)methyl]benzoic acid
+C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O	46D	(4ar,6r,7s,8r,8ar)-8-((5r,6r)-3-carboxy-tetrahydro-4,5,6-trihydroxy-2h-pyran-2-yloxy)-hexahydro-6,7-dihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid)
+CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC	46E	(2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate
+COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)Cl	46F	(2r)-4-(6-chloropyridazin-3-yl)-n-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
+Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@](C)(c4ccc5c(c4)cc(cn5)OC)F)F	46G	6-{(1r)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline
+C1CCN(CC1)C(=O)[C@H]2CCCNC2	46H	(3s)-piperidin-3-yl(piperidin-1-yl)methanone
+C1CCN(CC1)C(=O)[C@@H]2CCCNC2	46J	(3r)-piperidin-3-yl(piperidin-1-yl)methanone
+CC(=O)NS(=O)(=O)c1ccc(cc1)N/C=C\2/c3c(ccc4c3scn4)NC2=O	46K	n-[(4-{[(z)-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide
+CN(C)c1ccc(cn1)C(=O)O	46L	6-(dimethylamino)pyridine-3-carboxylic acid
+C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O)O)O)C(=O)O	46M	(4ar,6r,7s,8r,8as)-hexahydro-6,7,8-trihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid
+c1cc2c(cc1[C@H]3CCCN3)OCCO2	46O	(2r)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
+Cc1c(sc(n1)N)c2nccn2C	46P	4-methyl-5-(1-methyl-1h-imidazol-2-yl)-1,3-thiazol-2-amine
+CC[C@](C)(CN)N1CCOCC1	46Q	(2r)-2-methyl-2-(morpholin-4-yl)butan-1-amine
+c1conc1C(=O)NCC(F)(F)F	46R	n-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
+Cc1cc(ncn1)N2CCCCCC2	46S	1-(6-methylpyrimidin-4-yl)azepane
+CC(C)/N=C/1\CC=CC=C\C1=N/C(C)C	46T	(1e,2e)-n,n'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCCC3)\N	46U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide
+CNC(=S)Nc1ccc(cc1Cl)Br	46V	1-(4-bromo-2-chlorophenyl)-3-methylthiourea
+[H]/N=C(\N)/N1CCC(CC1)C	46W	4-methylpiperidine-1-carboximidamide
+C1CCN(C1)c2c(c(n[nH]2)N)C#N	46X	3-amino-5-(pyrrolidin-1-yl)-1h-pyrazole-4-carbonitrile
+Cc1cc(nc(c1C#N)NCCCN2CCOCC2)C	46Y	4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile
+c1ccc(cc1)CCO[P@](=O)(O)O[C@@H]2[C@H]([C@@H]([C@H](O2)O)F)O	46Z	(2r,3r,4s,5s)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (s)-phosphate
+CCC/C=C(\CCC)/C1=C([C@@]2(CCC[C@@H]2C1)Nc3ccccc3)c4ccccc4	470	(3as,6ar)-5-[(4e)-oct-4-en-4-yl]-n,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1h)-amine
+CCC(=O)NC[C@H](Cc1ccc(cc1)OCCc2c(oc(n2)c3ccccc3)C)N/C(=C\C(=O)c4ccc(cc4)C(F)(F)F)/C	471	n-((2s)-2-({(1z)-1-methyl-3-oxo-3-[4-(trifluoromethyl) phenyl]prop-1-enyl}amino)-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl)propanamide
+CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cccnc4	472	(5s)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4h-imidazol-4-one
+CN(C)C(=O)[C@@H](C1CCC(CC1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CCC(C4)(F)F)N	474	(2s,3s)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-n,n-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-6-ylcyclohexyl)butanamide
+c1ccnc(c1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	475	n-[oxo(pyridin-2-ylamino)acetyl]-beta-d-glucopyranosylamine
+CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	476	3-butyl-1-(2,2-diphosphonoethyl)pyridinium
+CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)C(F)F)n[nH]3)O	477	3-{2-[5-(difluoromethyl)-2h-thieno[3,2-c]pyrazol-3-yl]-1h-indol-6-yl}pentan-3-ol
+CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N	478	{3-[(4-amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester
+C[C@@H](c1cccnc1)NC(=O)CCC(=O)c2cccs2	479	4-oxo-n-[(1s)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide
+c1cc(ccc1C(=O)CN)Br	47A	2-amino-1-(4-bromophenyl)ethanone
+c1cc(c(cc1c2cn3ccnc3nn2)F)F	47B	3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine
+C=CCONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	47C	2'-deoxy-n-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate)
+c1cc2c(cc1Cl)nc(s2)CN3C(=O)C=CN(C3=O)CC(=O)O	47D	{3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}acetic acid
+c1cc(cc(c1)Cl)[C@H](C(=O)O)O	47E	(2r)-(3-chlorophenyl)(hydroxy)ethanoic acid
+COc1ccc(cc1O)CN	47G	5-(aminomethyl)-2-methoxyphenol
+CC1=CC(Nc2c1cc3c(c2)OCO3)(C)C	47H	6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline
+c1cc(ccc1c2c3ccc(cc3[nH]n2)c4ccc(cc4)O)N5CC[NH2+]CC5	47I	4-[3-(4-piperazin-4-ium-1-ylphenyl)-1h-indazol-6-yl]phenol
+Cc1cc(n(n1)C)CN	47J	1-(1,3-dimethyl-1h-pyrazol-5-yl)methanamine
+CC1CCN(CC1)CC(=O)Nc2cc(no2)C(C)C	47K	2-(4-methylpiperidin-1-yl)-n-[3-(propan-2-yl)-1,2-oxazol-5-yl]acetamide
+C1CCC(CC1)C(=O)NC[C@H]2CCCO2	47L	n-[(2r)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide
+c1cc(oc1CN)C(F)(F)F	47M	1-[5-(trifluoromethyl)furan-2-yl]methanamine
+C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O	47N	neoagarobiose
+C[C@@H](C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2	47P	2-({[(1s)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3h)-one
+c1ccnc(c1)CNc2ccc3c(c2)NC(=O)N3	47Q	5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2h-benzimidazol-2-one
+[H]/N=C(/C)\N(CC)CC	47R	(1z)-n,n-diethylethanimidamide
+CN(C)c1cccc(c1)C(=O)NN	47S	3-(dimethylamino)benzohydrazide
+CC1CCC(CC1)NC(=O)[C@H]2CCCO2	47T	(2r)-n-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide
+Cc1c(c(n(n1)C)C)CC(=O)Nc2ccccn2	47U	n-(pyridin-2-yl)-2-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide
+Cc1cc(c(o1)C)C(=O)Nc2ccncc2	47V	2,5-dimethyl-n-(pyridin-4-yl)furan-3-carboxamide
+COc1cc(ccc1C[NH+]2CC[NH2+]CC2)OCC#Cc3ccc4ccncc4c3	47W	1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium
+c1cc(c(cc1C2=COc3cc(ccc3C2=O)O)O)O	47X	3-(3,4-dihydroxyphenyl)-7-hydroxy-4h-chromen-4-one
+[H]/N=C/1\c2c(c(oc2N=CN1CCCN(C)C)C)C	47Y	3-[(4e)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4h)-yl]-n,n-dimethylpropan-1-amine
+CCCCCCCC(=O)OC[C@H](CO)O	480	(2s)-2,3-dihydroxypropyl octanoate
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCN(CC6)C	481	4-tert-butyl-n-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide
+CCCC(=O)CC(=O)N[C@H]1CCOC1=O	482	3-oxo-n-[(3s)-2-oxotetrahydrofuran-3-yl]hexanamide
+CC1CCC(CC1)NC(=O)Cn2ccnc2	483	2-(1h-imidazol-1-yl)-n-(trans-4-methylcyclohexyl)acetamide
+CCCc1cc(ccc1c2cc(ccc2C)CCc3ccc(c(c3)CO)CO)C(CC)(CC)O	484	3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N)O)O)O	485	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)- acetic acid
+CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O	486	11-(4-dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodec ahydro-cyclopenta[a]phenanthren-3-one
+C[C@@H](c1nc(nc(n1)N(C)C)N)N2CCCCCC2	487	6-[(1s)-1-(azepan-1-yl)ethyl]-n,n-dimethyl-1,3,5-triazine-2,4-diamine
+CN1[C@@H](CS[C@@H]1[C@H]2CSC(=N2)c3ccccc3O)C(=O)O	488	(2r,4r)-2-[(4r)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid
+c1cc(ccc1[C@@H](CN)O)F	489	(1s)-2-amino-1-(4-fluorophenyl)ethanol
+c1ccc(c(c1)C(=O)Nc2ccc(cc2)Nc3c(cnc(n3)Nc4ccc(cc4)O)F)Cl	48B	2-chloro-n-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide
+C[C@H](C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N	48C	5'-(d-alanylamino)-5'-deoxyuridine
+C[C@H]1/C=C(/CCC(=O)CCCC/C=C/[C@@H]([C@H]1O)OC)\C	48D	(4e,6s,7s,8s,9e)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
+c1ccc(cc1)c2cn(nn2)[C@H](CO)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O	48E	5'-deoxy-5'-{[(2r)-3-hydroxy-2-(4-phenyl-1h-1,2,3-triazol-1-yl)propanoyl]amino}uridine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H](C(=O)CO)O)O)O)O)N	48F	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] hydrogen phosphate
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	48G	n-[(2s,3s,4r)-3,4-dihydroxy-1-{[6-o-(naphthalen-1-ylcarbamoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
+C/C(=N\CC(=O)O)/C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	48H	2-[(e)-[(4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid
+c1cc(c(cc1CN2C(=O)C=CN(C2=O)CC(=O)O)[N+](=O)[O-])Cl	48I	[3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl]acetic acid
+C(C(=O)O)(O)O	48J	dihydroxyacetic acid
+CN(C)CCNS(=O)(=O)c1ccc(cc1)N/C=C\2/c3ccccc3NC2=O	48K	n-[2-(dimethylamino)ethyl]-4-{[(z)-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}benzenesulfonamide
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cc(ccc5F)Br)OC	48L	4-({(4s,5r)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)C#N	48M	4-[(4s,5r)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile
+C[C@@H](C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)/N=C/C(=O)O	48N	(2e)-2-[(2s,4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-yl]iminoethanoic acid
+CC(C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N=[N+]=N	48O	5'-deoxy-5'-{[(2s)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine
+C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)CO)O)O	48P	(1r,4r,5r)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid
+CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCC2)C(=O)N/C(=C\c3ccccc3)/[C@@H](CNC(C)(C)c4cccc(c4)OC)O	48Q	~{n}1-[(~{z},3~{r})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{n}3,~{n}3-dipropyl-benzene-1,3-dicarboxamide
+C[C@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)NS(=O)(=O)C	48R	(2r)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methyl-n-(methylsulfonyl)propanamide
+Cc1ccc(cc1)[C@@H](CC(=O)N(C)O)CP(=O)(O)O	48S	[(2r)-4-[hydroxy(methyl)amino]-2-(4-methylphenyl)-4-oxobutyl]phosphonic acid
+c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	48T	l-gamma-glutamyl-s-(2-biphenyl-4-yl-2-oxoethyl)-l-cysteinylglycine
+CN(C)C(=O)c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl	48U	4-[(3s)-3-({[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-n,n-dimethylbenzamide
+C([C@@H](C(=O)N)N)SCC(=O)O	48V	{[(2r)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid
+C[C@@H](C(=O)N1CCC(=O)N(CC1)C)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl	48W	6-chloro-n-{(3s)-1-[(2s)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide
+C(COP(=O)(O)O)C(=O)O	48X	3-(phosphonooxy)propanoic acid
+C(CC(=O)O)[C@@H]([C@H](C(=O)O)O)C(=O)O	48Y	(1r,2s)-1-hydroxybutane-1,2,4-tricarboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O[P@](=O)(O)S	48Z	2-deoxy-2-fluoro-5-o-thiophosphono-alpha-d-arabinofuranose
+Cn1cc(c(n1)COc2ccc(cc2)c3cccc4c3ncn4C)C5=CN(C(=O)C=C5)C	490	1-methyl-5-(1-methyl-3-{[4-(1-methyl-1h-benzimidazol-4-yl)phenoxy]methyl}-1h-pyrazol-4-yl)pyridin-2(1h)-one
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C	491	2-acetamido-3-o-[(1r)-1-carboxyethyl]-2-deoxy-1-o-phosphono-alpha-d-glucopyranose
+c1cc(sc1)c2ccc(s2)CN	492	1-(2,2'-bithiophen-5-yl)methanamine
+CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)OCC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	493	{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-phosphono-phenoxy}-acetic acid
+c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N	494	(2e)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+c1ccc2c(c1)C(=O)NN=C2Cl	495	4-chlorophthalazin-1(2h)-one
+c1c(c(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F)CO	496	2-({[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CC[C@H]1CNCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N	497	6-[amino(imino)methyl]-n-[(4r)-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl]-2-naphthamide
+c1cc(ccc1n2c(cnn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N	498	p-(5-ruthenocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide
+c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N	499	5-[5-(1h-indol-3-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)N	49A	4,9-amino-2,4-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
+c1ccc2c(c1)cc(cn2)c3cc(c(nc3)N)C4=NNC(=S)O4	49B	5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3h)-thione
+c1ccc2c(c1)CC[C@@]23CC(=C(C(=O)O3)Sc4ccccc4Cl)O	49C	(1r)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'h)-one
+C[C@@H](c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2	49D	6-{[(1s)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CC(c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2	49E	6-{[(1r)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+COCC[C@@H]1CCCN1	49F	(2s)-2-(2-methoxyethyl)pyrrolidine
+Cn1ccc(n1)CNCCc2ccccc2	49G	n-[(1-methyl-1h-pyrazol-3-yl)methyl]-2-phenylethanamine
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)OC	49H	4-({(4s,5r)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one
+COc1cc(ccc1N)c2cc3c(c(sn3)N4CCOCC4)nc2	49J	2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline
+CN(CCN)Cc1cn[nH]c1c2ccc(cc2)F	49K	n-{[5-(4-fluorophenyl)-1h-pyrazol-4-yl]methyl}-n-methylethane-1,2-diamine
+CNCCN(C)Cc1c[nH]nc1c2ccc(cc2)OC3CC(C3)OCCC4CCOCC4	49L	n,n'-dimethyl-n-({3-[4-({trans-3-[2-(tetrahydro-2h-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1h-pyrazol-4-yl}methyl)ethane-1,2-diamine
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](/C=C/[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	49M	(1r)-1,5-anhydro-1-[(1e,3s,4s,5r)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-d-galactitol
+c1cc(c(nc1)N2CCNCC2)C(F)(F)F	49N	1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
+c1cc(c(nc1)N2CCNCC2)C#N	49O	2-(piperazin-1-yl)pyridine-3-carbonitrile
+c1cc(cc(c1)n2cc(cn2)O)C(F)(F)F	49P	1-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-ol
+c1ccc(cc1)COc2ccc(cc2)CCCO	49Q	3-[4-(benzyloxy)phenyl]propan-1-ol
+CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2NC1	49R	tert-butyl (3r)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O	49S	2-acetamido-2-deoxy-beta-d-mannopyranuronic acid
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C)O)O	49T	2-acetamido-2-deoxy-alpha-d-fucopyranose
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCC3)/N	49U	(s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
+CC(=O)N[C@H]1[C@H](C=C(OC1O)C(=O)O)O	49V	2-acetamido-2,4-dideoxy-alpha-l-erythro-hex-4-enopyranuronic acid
+CCCN(CCC)C(=O)c1cc(cc(c1)N2CC=CC=C2)C(=O)N[C@@H](Cc3ccccc3)[C@H](CNC(C)(C)c4ccccn4)O	49W	n'-[(2s,3s)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-n,n-dipropyl-5-(pyridin-1(2h)-yl)benzene-1,3-dicarboxamide
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](/C=C/[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O	49X	(1r)-1,5-anhydro-1-{(1e,3s,4s,5r)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-d-galactitol
+CCCCCCCCCCCCCC[C@@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CC/C=C\CCCC[C@@H]2C[C@H]2CCCCCCCCCC)O)O	49Y	(4z)-9-[(1r,2r)-2-decylcyclopropyl]-n-[(2s,3s,4s)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide
+Cc1ccc(s1)CNCCc2ccccc2F	49Z	2-(2-fluorophenyl)-n-[(5-methylthiophen-2-yl)methyl]ethanamine
+c1ccc(c(c1)CNCCC23CC4CC(C2)CC(C4)C3)O	4A0	2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol
+CCCS(=O)(=O)Nc1ccccc1C(=O)O	4A1	2-[(propylsulfonyl)amino]benzoic acid
+COc1ccc(cc1F)/N=C/2\Nc3cc(ccc3N2Cc4ccccc4C(F)(F)F)C(=O)O	4A2	(2e)-2-(3-fluoranyl-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl]-3h-benzimidazole-5-carboxylic acid
+c1cc(c(cc1C(=O)O)O)N	4A3	4-amino-3-hydroxybenzoic acid
+c1c(c(nn1CC(=O)O)C2CC2)Br	4A5	(4-bromo-3-cyclopropyl-1h-pyrazol-1-yl)acetic acid
+CC(=C12=C3[Ru]1456C2=C4C5(=C63)=C)C	4A6	[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]ruthenium
+CN1c2ccc(cc2CCC1=O)NS(=O)(=O)c3ccc(cc3OC)OC	4A7	2,4-dimethoxy-n-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
+CN1c2ccc(cc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3)OC	4A8	n-(1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
+Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F	4A9	2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-n-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide
+c1cc(c(c(c1C(=O)O)N)O)Cl	4AA	4-chloro-3-hydroxyanthranilic acid
+C[C@@H]([C@@H]([C@H]1CNc2c(c(nc(n2)N)N)N1)O)O	4AB	2,4-diamino-6-[2,3-dihydroxy-prop-3-yl]-5,6,7,8-tetrahydropteridine
+CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	4AC	n(4)-acetylcytidine-5'-monophosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)N)[NH3+])O)O)N	4AD	4-amino-1,4-dioxobutan-2-aminium adenosine-5'-monophosphate
+CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccccc4	4AE	n-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]benzenesulfonamide
+CC(=O)c1ccc(cc1)C[C@@H](C(=O)O)N	4AF	4-acetyl-l-phenylalanine
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC	4AG	(2r)-3-hydroxypropane-1,2-diyl dihexadecanoate
+CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2cccnc2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC	4AH	{(1s)-1-[n'-[(2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-n'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester
+c1cc(cc(c1)O)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl	4AJ	2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
+C(CCNS(=O)(=O)O)C[C@@H](C(=O)O)N	4AK	n~6~-sulfo-l-lysine
+c1cc(ccc1CN)CO	4AL	[4-(aminomethyl)phenyl]methanol
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N	4AM	4-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
+c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N	4AN	6-amino-benzo[de]isoquinoline-1,3-dione
+CCOc1c2cccc(c2nc(n1)N=C(N)N)C	4AO	2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine
+c1c[nH+]ccc1N	4AP	4-aminopyridine
+Cn1cccc1CNCCc2c[nH]c3c2cccc3	4AQ	2-(1h-indol-3-yl)-n-[(1-methyl-1h-pyrrol-2-yl)methyl]ethanamine
+Cc1cccc(c1C(=O)OCC(=O)[C@H](CCCNC(=[NH2+])N)N)C	4AR	amino({(4s)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium
+CNCc1nccn1C	4AS	n-methyl-1-(1-methyl-1h-imidazol-2-yl)methanamine
+CC(=O)CCCC(=O)O	4AT	5-oxohexanoic acid
+c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc[nH]3	4AU	1h-benzimidazol-2-yl(1h-pyrrol-2-yl)methanone
+CNCc1cc(ccc1Cl)[N+](=O)[O-]	4AV	1-(2-chloro-5-nitrophenyl)-n-methylmethanamine
+c1cc2c(c(c[nH]2)C[C@@H](C(=O)O)N)nc1	4AW	4-azatryptophan
+C1[C@H](C(=O)NO1)N	4AX	(r)-4-amino-isoxazolidin-3-one
+c1cc(ccc1CBr)C(=O)O	4AY	4-(bromomethyl)benzoic acid
+c1cc(ccc1CN)C(=O)O	4AZ	4-(aminomethyl)benzoic acid
+C(Cn1c2c(c(c(c(c2Br)Br)Br)Br)nn1)CO	4B0	3-(4,5,6,7-tetrabromo-1h-benzotriazol-1-yl)propan-1-ol
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4cccc(c4)[N+](=O)[O-])S(=O)(=O)c5ccc(cc5)[N+](=O)[O-]	4B1	n-benzyl-n-[(3s,4s)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide
+C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)c3cncnc3	4B2	(4s)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine
+CC1(CC(CC(C1)(C)C)Nc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C	4B3	4-bromo-3-(carboxymethoxy)-5-{3-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}thiophene-2-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	4B5	n-{(2r,4s,5s)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-l-leucyl-l-phenylalaninamide
+Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4ccc(cc4)Oc5ccccc5	4B7	2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-n-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
+c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)O	4B8	2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
+c1cc(ccc1CNCCC(=O)O)C(=O)O	4BA	4-[(2-carboxy-ethylamino)-methyl]-benzoic acid
+CC(C)(C)c1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	4BB	4-tert-butyl-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
+CCc1cc(c(cc1O)O)c2c(c([nH]n2)C(=O)O)c3ccc4c(c3)OCO4	4BC	4-(1,3-benzodioxol-5-yl)-5-(5-ethyl-2,4-dihydroxyphenyl)-2h-pyrazole-3-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O	4BD	5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine
+c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Br	4BE	4-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
+c1cc(ccc1C[C@@H](C(=O)O)N)Br	4BF	4-bromo-l-phenylalanine
+c1ccc(cc1)COc2ccc(cc2)NC(=O)CN	4BG	n-[4-(benzyloxy)phenyl]glycinamide
+c1c(c(cc(c1Cl)O)O)c2c(cn[nH]2)N3CCNCC3	4BH	4-chloro-6-(4-piperazin-1-yl-1h-pyrazol-5-yl)benzene-1,3-diol
+Cc1c(c(c2ccccc2n1)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C	4BI	(2s)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid
+CN1c2cc(c(cc2N(C1=O)C)Oc3cccc(c3)OCc4ccccc4)NS(=O)(=O)c5ccc(c(c5)OC)OC	4BJ	n-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide
+Cc1nc(cn1C)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OCC(C)C)N(C(=O)N3C)C	4BK	n-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl}-1,2-dimethyl-1h-imidazole-4-sulfonamide
+Cc1ccc2cc([nH]c2c1)C(=O)O	4BL	6-methyl-1h-indole-2-carboxylic acid
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O	4BM	n-{[(2r)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O	4BN	3-oxo-4-pregnene-20-carboxyl-coenzyme a
+c1ccc(cc1)COc2ccc(cc2)NC(=O)[C@H](CC(=O)O)N	4BO	(3s)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid
+c1cc(ccc1CBr)c2ccc(cc2)CBr	4BP	4,4'-bis(bromomethyl)biphenyl
+c1ccc(cc1)COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N	4BQ	(2s)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
+Cc1ccc(cc1)OCC[P@H](=O)[O-]	4BR	2-(4-methylphenoxy)ethylphosphinate
+c1ccc(cc1)COc2ccc(cc2)NC(=O)CCCN	4BS	4-amino-n-[4-(benzyloxy)phenyl]butanamide
+[H]/N=C(/N)\SCCc1ccc(cc1)CCSC(=N)N	4BT	2-{2-[4-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea
+c1ccc(cc1)[C@@H](COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N)O	4BU	(2s)-2-amino-5-[[4-[(2s)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid
+Cn1cc(nc1)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OC[C@H]5CCOC5)N(C(=O)N3C)C	4BV	n-(1,3-dimethyl-2-oxo-6-{3-[(3s)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1h-benzimidazol-5-yl)-1-methyl-1h-imidazole-4-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N	4BW	2-amino-9-[(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6h-purin-6-one
+c1ccc2c(c1)[nH]c(n2)CCC(=O)O	4BX	3-(1h-benzimidazol-2-yl)propanoic acid
+Cc1ccc2c(c1)cc([nH]2)C(=O)O	4BY	5-methyl-1h-indole-2-carboxylic acid
+[H]/N=C(\c1ccc(cc1)CO)/N	4BZ	4-(hydroxymethyl)benzamidine
+c1ccc(cc1)CCC(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O	4C0	3-(1h-benzimidazol-2-yl)-n-(3-phenylpropanoyl)-d-alanine
+CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCCN(C)C	4C1	n-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
+Cc1c(c(on1)C)S(=O)(=O)NC2=C(C(=O)C2=O)N3CCC(CC3)NCc4ccc(cc4)C(F)(F)F	4C2	n-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
+CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C	4C4	myxopyronin b
+COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N	4C5	(2r)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid
+Cc1ccc(cc1)CC2CCN(CC2)C3=C(C(=O)C3=O)NS(=O)(=O)c4c(noc4C)C	4C6	3,5-dimethyl-n-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide
+C[C@H](CCC[C@@H](C)CCOP(=O)(O)OP(=O)(O)O)CCCC(C)C	4C7	(3r,7s)-3,7,11-trimethyldodecyl trihydrogen diphosphate
+c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br	4C8	2,4-dibromophenyl 2,4,6-tribromophenyl ether
+CC(C)(C)CC(C#N)C(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N	4C9	(2s)-2-({(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCc4ccc(cc4)O)O	4CA	4-hydroxybenzyl coenzyme a
+B(c1ccc(cc1)C(=O)O)(O)O	4CB	4-carboxyphenylboronic acid
+[H]/N=C(\c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N	4CC	n-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1h-benzimidazol-5-yl)carbonyl]-n-pyridin-2-yl-beta-alanine
+Cc1ccccc1[C@H]2CCCN2C(=O)c3cc(c(cc3O)O)Cl	4CD	4-chloro-6-{[(2r)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
+CN1CCN(CC1)C(=O)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)C(=CC(=O)N4)O)Cl)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl	4CE	(2e)-n-[(1s)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1h-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enamide
+c1cc(ccc1C[C@@H](C(=O)O)N)C#N	4CF	4-cyano-l-phenylalanine
+C1C[C@H](/C(=C\[C@H](COP(=O)(O)O)N)/C1)C(=O)O	4CG	(1r,2z)-2-[(2r)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid
+c1cc(ccc1O)Cl	4CH	4-chlorophenol
+c1cc(ccc1C(=O)Nc2cc([nH]n2)C3CC3)C(=O)O	4CK	4-[(5-cyclopropyl-1h-pyrazol-3-yl)carbamoyl]benzoic acid
+c1cc(c(cc1Cl)O)O	4CL	4-chlorobenzene-1,2-diol
+C[P@](=O)(c1ccc(cc1)C(=N)N)O	4CM	(4-carbamimidoylphenyl)-methyl-phosphinic acid
+Cc1nc(cs1)c2ccc3c(c2)CC(=O)N3C	4CN	1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2h-indol-2-one
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O	4CO	4-hydroxyphenacyl coenzyme a
+[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)N)NC(=O)CSc2ccc(cc2)Cl	4CP	2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@H](O2)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O3)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)O)O)O)O)O)O	4CQ	6-o-alpha-d-glucosyl-beta-cyclodextrin
+CCN(C)C(=O)Oc1cccc2c1CC[C@H]2/[N+](=C/C=C)/C	4CR	(1r)-4-({[ethyl(methyl)amino]carbonyl}oxy)-n-methyl-n-[(1e)-prop-2-en-1-ylidene]indan-1-aminium
+CC1=N[C@@H](CCN1)C(=O)O	4CS	(4s)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(ccc1SC[C@H]2C[N@](C[C@@H]2O)Cc3c[nH]c4c3ncnc4N)Cl	4CT	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol
+CCCOc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)CC=C	4CU	(~{e})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid
+CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Br)N4CCOCC4	4CV	3-[(5-bromo-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-n-methyl-4-(morpholin-4-yl)benzenesulfonamide
+CNS(=O)(=O)c1cccc(c1)Nc2c3c([nH]cn3)ncn2	4CW	n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(c(c2)C(F)(F)F)c3ccc(c(c3)C#N)CC(C)C	4CX	n-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide
+C(CSC#N)[C@@H](C(=O)O)N	4CY	nitrilo-l-methionine
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3CC(C)C)c4ccccc4	4CZ	2-[4-(ethylsulfonyl)phenyl]-n-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide
+c1ccc(cc1)c2ccc(cc2)CCC(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	4D0	n-{[3-(biphenyl-4-yl)propanoyl]carbamoyl}-beta-d-glucopyranosylamine
+CC(C)c1ccc(cc1)/C=C/C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	4D1	n-({(2e)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamoyl)-beta-d-glucopyranosylamine
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3cccnc3	4D2	5-[(2s)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid
+COC(=O)/C=C(\C#N)/c1ccc(cc1)F	4D3	methyl (2z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate
+[H]/N=C(/N)\NCC[C@H]([C@@H](C(=O)O)N)O	4D4	(2s,3r)-2-azanyl-5-carbamimidamido-3-oxidanyl-pentanoic acid
+COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](CC(=O)N3CCOCC3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl	4D5	methyl (4-{4-chloro-2-[(1s)-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1h-imidazol-5-yl}phenyl)carbamate
+B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O	4D6	vaborbactam
+Cc1c(cco1)C(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O	4D7	3-(1h-benzimidazol-2-yl)-n-[(2-methylfuran-3-yl)carbonyl]-d-alanine
+C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C	4D8	(3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid
+c1ccc2c(c1)cc(s2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O	4D9	3-(1h-benzimidazol-2-yl)-n-(1-benzothiophen-2-ylcarbonyl)-d-alanine
+CN(C)c1ccc2c(c1)C(=O)N(C2=O)CC[C@@H](C(=O)O)N	4DB	(2s)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl]butanoic acid
+CS(=O)(=O)c1ccc(cc1)[C@@H](CC2CCCC2)C(=O)Nc3nccs3	4DC	(2r)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-n-(1,3-thiazol-2-yl)propanamide
+C[C@H](CCc1ccccc1)N	4DD	(2r)-4-phenylbutan-2-amine
+CCOC(=O)c1c(nn(c1C)c2ccc(cc2)OC)C	4DE	1-(4-methoxyphenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
+CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)Cl	4DF	5-chloro-n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-n~4~-ethyl-n~4~-(1h-indazol-4-yl)pyrimidine-2,4-diamine
+c1nc2c(n1COCCOP(=O)(O)O)N=C(NC2=O)N	4DG	2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy]ethyl dihydrogen phosphate
+Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O	4DH	3-(1h-benzimidazol-2-yl)-n-[(1-methyl-3-phenyl-1h-pyrazol-5-yl)carbonyl]-d-alanine
+[H]/N=C(\N)/SCCCCN(C)C	4DI	4-(dimethylamino)butyl imidothiocarbamate
+Cn1c2ccc(cc2cn1)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5	4DJ	3-(1h-indazol-4-yl{2-[(1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol
+Cc1c(ocn1)c2cccc(c2)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5	4DK	3-[1h-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol
+c1cc2c(cn[nH]2)c(c1)N(CCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5	4DL	2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1h-indazol-4-yl)amino]ethanol
+Cc1c2cccc(c2c(c3c1C[C@H]4CC(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)O)O	4DM	(4as,12as)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
+c1cc2c(cn[nH]2)c(c1)N(CCCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5	4DN	3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1h-indazol-4-yl)amino]propan-1-ol
+CN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F	4DO	n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-n~4~-(1h-indazol-4-yl)-n~4~-methylpyrimidine-2,4-diamine
+CN(C)c1ccc2c(c1)C(=O)N(C2=O)C[C@@H](C(=O)O)N	4DP	3-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl]-l-alanine
+CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F	4DQ	n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-n~4~-ethyl-5-fluoro-n~4~-(1h-indazol-4-yl)pyrimidine-2,4-diamine
+c1cc(c(cc1N=C=S)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)N=C=S	4DS	4,4'-diisothiocyano-2,2'-stilbenedisulfonic acid
+CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)NC4=CCC5=CNN(C5=C4)CCCO)F	4DT	3-[6-({4-[ethyl(1h-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1h-indazol-1-yl]propan-1-ol
+c1cnc(c2c1n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	4DU	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazo[4,5-c]pyridin-4-amine
+Cc1ccccc1c2ccc(cc2F)c3ccc4c(c3)c(c(n4Cc5ccc(cc5)Cl)CC(C)(C)C(=O)O)C	4DV	3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1h-indol-2-yl]-2,2-dimethylpropanoic acid
+c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O	4DW	n-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-l-glutamic acid
+C[C@H]1CCCC[C@@H]1O	4DX	(1s,2s)-2-methylcyclohexanol
+CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O	4DY	(6e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide
+c1ccc2c(c1)c3cc(ccc3c4c2nc([nH]4)c5c(cccc5C#N)C#N)Cl	4DZ	2-(9-chloro-1h-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile
+CCCCCCCCCCCCCCCCOP(=O)(CCCC)F	4E0	1-[butyl(fluoranyl)phosphoryl]oxyhexadecane
+c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O	4E1	10-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid
+c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl	4E2	10-chloro-2-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid
+c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br	4E3	10-bromo-2-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid
+CCC(CC)(CO)C(=O)Nc1ccc(nc1)C	4E4	2-ethyl-2-(hydroxymethyl)-n-(6-methylpyridin-3-yl)butanamide
+c1c(cc(cc1C(=O)O)O)[C@H]2CCN[C@@H]2C(=O)O	4E5	(3r)-3-(3-carboxy-5-hydroxyphenyl)-l-proline
+CCCCCCCCC/C=C/C=C/CC=C	4E6	(4e,6e)-hexadeca-1,4,6-triene
+CCC[C@@H]1CN[C@@H]([C@H]1c2cccc(c2)C(=O)O)C(=O)O	4E7	(3r,4s)-3-(3-carboxyphenyl)-4-propyl-l-proline
+c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3	4E8	3-(3-fluorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
+c1ccc2c(c1)-c3ccc(c4c3c(ccc4)C2=O)Nc5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N	4E9	2'-deoxy-8-[(7-oxo-7h-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)\C=C\c4ccncc4)N	4EA	(1s)-2-(1h-indol-3-yl)-1-[({5-[(e)-2-pyridin-4-ylvinyl]pyridin-3-yl}oxy)methyl]ethylamine
+Cc1ccc(c(c1)C)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F	4EB	4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitrobenzenesulfonamide
+Cc1cc2c(cc1C)sc(n2)/C=C/c3cccnc3	4ED	5,6-dimethyl-2-[(e)-2-(pyridin-3-yl)ethenyl]-1,3-benzothiazole
+CCOc1ccc(cc1)C2=Nn3c(nnc3SC2)c4ccccc4OC	4EE	6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
+CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Cl)N4CCOCC4	4EF	3-[(5-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-n-methyl-4-(morpholin-4-yl)benzenesulfonamide
+COC(=O)/C=C(\C#N)/c1ccccc1	4EG	methyl (2z)-3-cyano-3-phenylprop-2-enoate
+c1cnc(cn1)SC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N	4EH	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol
+c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	4EJ	4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
+c1ccnc(c1)c2cnc3n2nc(cc3)N4CCC[C@@H]4c5cccc(c5)F	4EK	6-[(2r)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine
+Cc1nnc(s1)NS(=O)(=O)c2ccc(cc2)NCc3cc(cc(c3)C(=O)O)c4ccc(nc4)OC	4EL	3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)c1ccc[nH]1)O	4EM	(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1h-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate
+c1c2c(ncnc2nn1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	4EN	[(2r,3s,5r)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CCc1cc(c(cc1O)O)N2c3ccccc3NC2=O	4EO	1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2h-benzimidazol-2-one
+CCCc1cc(c(cc1O)O)N2c3ccccc3NC2=O	4EP	1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2h-benzimidazol-2-one
+c1cc(cnc1)S(NCc2ccc3c(c2)NC(=O)N3c4cc(c(cc4O)O)Cl)(O)O	4EQ	1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2h-benzimidazol-2-one
+c1ccc(c(c1)c2nc(nc(n2)N)N)Cl	4ER	6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
+Cc1cc(nc(n1)N)c2ccc(cc2Cl)[N+](=O)[O-]	4ES	4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine
+c1cc(ccc1C(=O)c2cc(ccc2O)Cl)O	4ET	(5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone
+c1cc(ccc1C(=O)c2ccc(cc2O)O)O	4EU	(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone
+c1cc(cc(c1)O)C(=O)c2ccc(cc2O)O	4EV	(2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone
+c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)c6[nH]nnn6)F)Cl	4EW	2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-n-[(1r,2s,3s,4r)-3-(1h-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine
+B1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O	4EX	(3~{a}~{s},6~{s},6~{a}~{r})-3~{a}-methyl-2,2-bis(oxidanyl)-6,6~{a}-dihydro-5~{h}-furo[2,3-d][1,3,2]dioxaborol-6-ol
+C1=C(C=[N](C=C1C=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)S	4EY	1-[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-5-methanethioyl-pyridine-3-carbothioic s-acid
+CCCCCCN(Cc1c[nH]c2c1ncnc2N)CO	4EZ	{[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol
+CSC[C@@H]1CN(C[C@H]1O)Cc2c[nH]c3c2ncnc3N	4F0	(3s,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
+c1ccc2c(c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc(cc4)C(=O)O	4F1	4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1h-indazol-3-yl}benzoic acid
+CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C4CCCC4	4F2	1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea
+C[C@@H]([C@@H](c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2c(ccc3)F)N)O	4F3	[2-(1-amino-2-hydroxy-propyl)-4-(4-fluoro-1h-indol-3-ylmethyl)-5-hydroxy-imidazol-1-yl]-acetic acid
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)c5cccs5	4F4	n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide
+CC(=O)Nc1ccc(cc1)N([C@H](c2ccsc2)C(=O)NC(C)(C)C)C(=O)Cn3c4ccccc4nn3	4F5	n-[4-(acetylamino)phenyl]-2-(1h-benzotriazol-1-yl)-n-[(1r)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide
+c1cc(cc(c1)F)[C@@H]2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N	4F6	4-{6-[(3r)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile
+c1ccc(cc1)c2c[nH]c(n2)CCc3cnc4ccccc4n3	4F7	2-[2-(4-phenyl-1h-imidazol-2-yl)ethyl]quinoxaline
+c1ccc(cc1)c2[nH]c(c(n2)C(=O)O)C(=O)O	4F8	2-phenyl-1h-imidazole-4,5-dicarboxylic acid
+c1cnccc1c2cnc[nH]2	4F9	4-(1h-imidazol-5-yl)pyridine
+c1cc(ccc1CCO)F	4FA	4-fluorophenethyl alcohol
+C1[C@@H](CN[C@@H]1C(=O)O)F	4FB	(4s)-4-fluoro-l-proline
+c1cc(ccc1c2ccc(cc2)F)C(=O)O	4FC	4'-fluoro-1,1'-biphenyl-4-carboxylic acid
+c1ccc(cc1)CNc2ccc(cn2)C(=O)N	4FD	6-(benzylamino)pyridine-3-carboxamide
+COc1ccc(cc1O)\C=C\C(=O)O	4FE	(2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
+Cc1c(nc([nH]1)c2ccccc2)C(=O)O	4FF	5-methyl-2-phenyl-1h-imidazole-4-carboxylic acid
+c1cc(ncc1C(=O)N)N	4FG	6-aminopyridine-3-carboxamide
+C1=CN(C(=S)C=C1C(F)(F)F)O	4FH	1-hydroxy-4-(trifluoromethyl)pyridine-2(1h)-thione
+Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)O	4FI	(2r)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid
+Cc1c(c2ccc(cc2nc1c3ccccn3)F)N4CC5(CCOCC5)c6c4cc(cn6)N7CCOCC7	4FJ	1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine]
+c1cnccc1c2[nH]ccn2	4FL	4-(1h-imidazol-2-yl)pyridine
+c1cc(ccc1CNC(=O)c2c(non2)N)Cl	4FM	4-amino-n-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide
+CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCCC2)NC(=O)c3cccc4c3con4	4FN	n-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide
+C(CN)[C@H](C(=O)O)N	4FO	(2r)-2,4-diaminobutanoic acid
+c1cc(ccc1CC2CCNCC2)F	4FP	4-(4-fluorobenzyl)piperidine
+CC(C)C(=O)c1c2ccccn2nc1Cc3cccc(c3)/N=N/c4ccc5c(cc(c(c5c4O)N)S(=O)(=O)O)S(=O)(=O)O	4FQ	4-amino-5-hydroxy-6-[(e)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid
+Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C	4FR	3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1h-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide
+c1ccc2c(c1)cc(cn2)N	4FS	quinolin-3-amine
+c1ccc2cnncc2c1	4FT	phthalazine
+C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O	4FU	(1r,2s)-cyclohexane-1,2-dicarboxylic acid
+C1C[C@@H](C[C@@H]1NC(=O)c2c(non2)N)O	4FV	4-amino-n-[(1r,3s)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide
+c1cc2c(c(c1)F)c(c[nH]2)C[C@@H](C(=O)O)N	4FW	4-fluorotryptophane
+COc1ccccc1CNc2ccc(cn2)C(=O)N	4FX	6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide
+c1ccc(cc1)c2[nH]c(c(n2)C(=O)N3CCOCC3)C(=O)O	4FY	4-(morpholin-4-ylcarbonyl)-2-phenyl-1h-imidazole-5-carboxylic acid
+[H]/N=C(\c1ccc(cc1)C=O)/N	4FZ	4-formylbenzenecarboximidamide
+CN(C)c1cccc(c1)CNc2ccc(cn2)C(=O)N	4G0	6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
+Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4	4G1	n-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
+Cc1c(nc([nH]1)c2cccc(c2)Cl)C(=O)O	4G2	2-(3-chloro-phenyl)-5-methyl-1h-imidazole-4-carboxylic acid
+c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N	4G3	6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide
+CN(C)c1ccccc1CNc2ccc(cn2)C(=O)N	4G4	6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
+CN(CC(=O)N)C(=O)c1c([nH]c(n1)c2ccccc2)C(=O)O	4G5	4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1h-imidazole-5-carboxylic acid
+CC(C)(CN)N	4G6	2-methylpropane-1,2-diamine
+c1cc(cc(c1)C(=O)O)CNC(=O)c2ccc(cc2OCC(=O)O)F	4G7	3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid
+c1ccc(cc1)CN(CC(=O)O)C(=O)c2c([nH]c(n2)c3ccccc3)C(=O)O	4G8	4-[benzyl(carboxymethyl)carbamoyl]-2-phenyl-1h-imidazole-5-carboxylic acid
+CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl	4G9	2-chloro-n-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
+CCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O	4GA	1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1h-imidazol-3-ium
+CCSCOc1ccc(cc1NC(=O)C)S(=O)(=O)N2CCCCCC2	4GB	n-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O	4GC	beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose
+Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4	4GD	n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O	4GE	5-[benzyl(methyl)carbamoyl]-2-(3-chlorophenyl)-1h-imidazole-4-carboxylic acid
+CC(C)N1CCC(CC1)c2cc(n(n2)c3ccc(cc3F)C4CC4)NC(=O)c5cnn6c5nccc6	4GF	n-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1h-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CCSCC(=O)N(C)Cc1cnn(c1)c2ccccc2	4GG	2-(ethylsulfanyl)-n-methyl-n-[(1-phenyl-1h-pyrazol-4-yl)methyl]acetamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H](C[C@H](O1)CO)O)O)[C@@H](CCCCCCCCCCCCCCC)O	4GH	n-{(2s,3r)-1-[(4-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
+c1cc(cc(c1)S(=O)(=O)N2CCCC[C@H]2C(=O)OCCCc3cccnc3)[N+](=O)[O-]	4GI	3-(pyridin-3-yl)propyl (2s)-1-[(3-nitrophenyl)sulfonyl]piperidine-2-carboxylate
+c1cnccc1SSC[C@@H](C(=O)O)N	4GJ	3-(pyridin-4-yldisulfanyl)-l-alanine
+Cc1cnc(c2n1nc(n2)CCc3nc4c5cccnc5ccc4n3C)C	4GK	2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3h-imidazo[4,5-f]quinoline
+C([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O	4GL	alpha-d-gulopyranose
+c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)O	4GM	6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide
+c1cc(ncc1C(=O)N)NCC2CCCC2	4GN	6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide
+c1cc(ncc1C(=O)N)NC2CCCC2	4GO	6-(cyclopentylamino)pyridine-3-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(=O)O)O)O)O)O	4GP	n-(carboxycarbonyl)-beta-d-glucopyranosylamine
+c1cc(c2c(c1)NC(=O)CO2)[C@H](CNCCN(C3CCCCC3)C(=O)CCNCCc4ccc(c(c4)Cl)Cl)O	4GQ	n-cyclohexyl-n~3~-[2-(3,4-dichlorophenyl)ethyl]-n-(2-{[(2r)-2-hydroxy-2-(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide
+COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl	4GR	methyl (4-{4-chloro-2-[(1s)-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate
+C1CNCCC1NC(=O)c2c(non2)N	4GS	4-amino-n-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide
+c1c(c(nc(n1)NC2CCCC2)N)C(=O)N	4GT	4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
+c1ccc(c(c1)Nc2c3cn[nH]c3ncn2)F	4GU	n-(2-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	4GW	5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate)
+c1ccnc(c1)CN2CCN(CC2)C(=O)c3c(non3)N	4GX	(4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
+C1CCC(CC1)CNC(=O)c2c(non2)N	4GY	4-amino-n-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide
+Cc1cccc(c1)C(=O)NCCC2(CCCCC2)CNc3ccc(cn3)C(=O)N	4GZ	6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-3-carboxamide
+c1c(c(c(c(c1F)F)OCC(=O)C(CC(=O)O)N)F)F	4H0	(3s)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
+c1cc(ncc1C(=O)N)NC[C@@H]2CCC[C@@H](C2)CN	4H1	6-({[(1r,3s)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide
+CC1=CC(=S)NC=C1	4H2	4-methylpyridine-2(1h)-thione
+c1cc(ncc1C(=O)N)N[C@@H]2C[C@@H]([C@H](C2)O)CO	4H3	6-{[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide
+c1cc(ccc1[C@H]2C[C@@H]2NC(=O)c3c(non3)N)S(=O)(=O)N	4H4	4-amino-n-[(1s,2r)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide
+COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl	4H5	(1-chloro-7-methoxy-9h-beta-carbolin-9-yl)acetonitrile
+c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)N3CCOCC3	4H6	6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide
+CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(=O)N	4H7	6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide
+CC(C)(C)CNc1ncc(c(n1)N)C(=O)N	4H8	4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide
+COc1ccc(cc1)C(=O)n2c(ncn2)N	4H9	(5-amino-1h-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone
+C(CCO)C[NH3+]	4HA	4-hydroxybutan-1-aminium
+c1cc(ccc1c2ccc(cc2)O)O	4HB	4,4'-dihydroxybiphenyl
+c1ccc2c(c1)C(=CC(=O)O2)O	4HC	4-hydroxy-2h-chromen-2-one
+CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@H](CCC(=O)O)O	4HD	(4s,5e,7z,10z,13z,16z,19z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccc(cc9)Cl)C=C)C	4HE	(4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)]iron
+c1cc(sc1CC[C@@H]2CC3=C(NC2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	4HF	n-[(5-{2-[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}-2-thienyl)carbonyl]-l-glutamic acid
+c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I	4HG	n-[(4-hydroxy-8-iodoisoquinolin-3-yl)carbonyl]glycine
+CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCS)O	4HH	o-[(s)-hydroxy{[(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-l-serine
+CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NCc3ccccc3	4HI	(3r,5r)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1h-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
+CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O)O	4HJ	o-[(r)-hydroxy{[(3r)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-l-serine
+CCc1cc-2c(cc1O[C@H]3CCOC3)Cc4c2n[nH]c4c5ccc(nc5)C#N	4HK	5-{7-ethyl-6-[(3s)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile
+c1cc(ccc1CN/[NH+]=C/2\C=C(C(=O)C=C2[O-])C[C@@H](C(=O)O)N)O	4HL	(6e)-4-[(2s)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate
+COc1cc(ccc1O)OO	4HM	4-hydroperoxy-2-methoxy-phenol
+CCOc1ccccc1c2ccc(cc2)c3c(c(c4cnccc4n3)O)C#N	4HN	2-(2'-ethoxybiphenyl-4-yl)-4-hydroxy-1,6-naphthyridine-3-carbonitrile
+CC1=CC(=O)N(C=C1)O	4HO	1-hydroxy-4-methylpyridin-2(1h)-one
+c1cc(ccc1CC(=O)O)O	4HP	4-hydroxyphenylacetate
+CN1CCN(CC1)C(=O)c2c(non2)N	4HQ	(4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone
+c1ccc(c(c1)CO)Br	4HR	(2-bromophenyl)methanol
+C1=CC(=O)NC=C1Br	4HS	5-bromopyridin-2(1h)-one
+c1cc2c(c(c1)O)c(c[nH]2)C[C@@H](C(=O)O)N	4HT	4-hydroxytryptophan
+c1cc(nc(c1)Br)CO	4HU	(6-bromopyridin-2-yl)methanol
+COc1ccc(cc1OC)c2cc(co2)C(=O)N[C@H](Cc3cccc(c3)C#N)CO	4HV	n-[(2r)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide
+c1ccc(cc1)Nc2cc(ncn2)n3c(nc(n3)Nc4ccccc4)N	4HW	n~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1h-1,2,4-triazole-3,5-diamine
+[H]/N=C(/NCCC[C@@H](C(=O)N([C@@H]1C[C@H](NC1)C(=O)N)O)N)\N[N+](=O)[O-]	4HX	(4r)-4-(hydroxy{n~5~-[imino(nitroamino)methyl]-l-ornithyl}amino)-l-prolinamide
+c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O	4HY	[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-acetic acid
+C[C@@H](C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F	4HZ	n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-n-(2,2,2-trifluoroethyl)-l-alaninamide
+[H]/N=C(/[C@@H]1CCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)CCCc3ccccc3)N=[N+]=N)\O	4I4	(5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N	4I5	(6s)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide
+COc1ccc(cc1OCc2ccccc2C(F)(F)F)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6	4I7	(4~{a}~{s},8~{a}~{r})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
+COC(=O)c1ccc2c(c1)OC(=O)N2	4I8	methyl 2-oxidanylidene-3~{h}-1,3-benzoxazole-6-carboxylate
+Cc1c(cncc1Cl)OC(=O)c2cccc3c2cc[nH]3	4I9	5-chloro-4-methylpyridin-3-yl 1h-indole-4-carboxylate
+CC(C)c1ccc(cc1)C(=O)O	4IA	4-propan-2-ylbenzoic acid
+CC(C)(c1cc(c(c(c1)I)O)I)c2cc(c(c(c2)I)O)I	4IB	tetraiodobisphenola
+c1c(nc[nH]1)/C=C/CC(=O)O	4IC	(3e)-4-(1h-imidazol-4-yl)but-3-enoic acid
+Cc1ccc(c(c1)C)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)Nc3ccccc3C(F)(F)F	4ID	2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-n-[2-(trifluoromethyl)phenyl]acetamide
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)c4cc(cc(c4)F)F)CCCOC	4IG	(2s)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2h-1,4-benzoxazin-3(4h)-one
+CS(=O)(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2	4IH	~{n}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide
+c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=[N-]	4II	(2~{s})-2-azanyl-3-(4-azidophenyl)propanoic acid
+c1cc(c2c(c1)NCC2)C(=O)Oc3cc(cnc3)Cl	4IJ	5-chloropyridin-3-yl 2,3-dihydro-1h-indole-4-carboxylate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)CN)O)O)N	4IK	(2s,5s)-2,6-diamino-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid
+c1cc(c2c(c1)[nH]cc2C[C@@H](C(=O)O)N)N	4IN	4-amino-l-tryptophan
+c1cc(cc(c1)S(=O)(=O)n2ccc3c2ccc(c3)C(=O)Oc4cc(cnc4)Cl)[N+](=O)[O-]	4IO	5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1h-indole-5-carboxylate
+[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	4IP	inositol-(1,3,4,5)-tetrakisphosphate
+Cc1ccc(cc1)CN2CCS(=O)(=O)N(C2)CCc3ccc(cc3)S(=O)(=O)N	4IQ	4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide
+C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C	4IR	{n-(4-{[2-(amino-kappan)ethyl]sulfamoyl-kappan}phenyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(iii)
+[H]/N=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c([nH]2)cccc3OC	4IT	n-[(2s)-1-({(1e,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+Cn1c2cc(ccc2nc1CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)C(=O)O	4IU	2-[[(2r,3r,4r)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2h-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid
+c1cc(c(nc1CCCn2cc(nn2)CCCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C=N\O)O	4IX	(2r,3r,4s,5s,6r)-2-[4-[1-[3-[6-[(z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
+c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CCCO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CCCO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O	4J0	(2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol]
+c1ccc2cc(ccc2c1)C[C@H](C(=O)O)N	4J2	(2r)-2-amino-3-(naphthalen-2-yl)propanoic acid
+NOS(=O)(=O)N	4J3	amino(aminooxy)sulfane dioxide
+c1cc(ccc1CNC(=O)CSC[C@@H](C(=O)O)N)c2ccc(cc2F)F	4J4	s-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-l-cysteine
+C(CNC(=[NH2+])N)[C@@H](C(=O)O)N	4J5	amino{[(3s)-3-amino-3-carboxypropyl]amino}methaniminium
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@H](C=O)[C@@H](C)O	4J6	(4r,5s)-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1h-pyrrole-2-carboxylic acid
+Cc1cc([nH]n1)Nc2c(c(nc(n2)Sc3ccc(cc3F)S(=O)(=O)Cc4cccc(c4F)[N+](=O)[O-])N5CCOCC5)OC	4J7	2-({2-fluoro-4-[(2-fluoro-3-nitrobenzyl)sulfonyl]phenyl}sulfanyl)-5-methoxy-n-(3-methyl-1h-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-4-amine
+Cc1ccc(cc1)S(=O)(=O)N	4J8	4-methylbenzenesulfonamide
+c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O	4J9	(2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol]
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](COP(=O)(O)O)O)O)O)O	4JA	(2s)-3-[(6-deoxy-beta-d-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate
+CCc1ccc(cc1)S(=O)(=O)N	4JC	4-ethylbenzenesulfonamide
+CCCc1ccc(cc1)S(=O)(=O)N	4JE	4-propylbenzenesulfonamide
+CC[C@@]1([C@H](C(=O)C2=C3C(=O)c4c(ccc(c4C(=O)C3=C(C2[C@H]1O[C@@H]5C[C@@H]([C@H]([C@@H](O5)C)N(C)C)O)NN)O)O)[C@H]6C(=O)C7=C8C(C(=C7[C@H]([C@@]6(CC)O[C@H]9C[C@@H]([C@H]([C@@H](O9)C)O)OC)O[C@@H]1C[C@@H]([C@H]([C@@H](O1)C)N(C)C)O)NN)C(=O)C1=C(CC=C(C1C8=O)O)O)O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O)OC	4JF	(1r,1'r,2s,2's,3r,3'r,5ar,10ar,11a's)-2'-[(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11 '-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-l-arabino -hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1h,1'h-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranoside
+Cc1c(sc(n1)Nc2ccc3ccccc3c2)C(=O)C	4JG	1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone
+c1cc(cc(c1)Br)CN	4JH	1-(3-bromophenyl)methanamine
+c1cc(c(cc1Cl)N)N	4JJ	4-chlorobenzene-1,2-diamine
+[H]/N=C(\CO)/NCCC[C@@H](C(=O)O)N	4JK	(s)-2-amino-5-(2-hydroxyacetimidamido)pentanoic acid
+c1cc(ccc1CO)Cl	4JL	(4-chlorophenyl)methanol
+CSc1ccc(cc1)N	4JM	4-(methylsulfanyl)aniline
+c1cc(ncc1N)Br	4JN	6-bromopyridin-3-amine
+Cc1c(ccc(n1)N)Br	4JO	5-bromo-6-methylpyridin-2-amine
+c1cc2c(cc[nH]2)nc1	4JP	1h-pyrrolo[3,2-b]pyridine
+c1cc2c(cc1N)C=CC(=O)O2	4JQ	6-amino-2h-chromen-2-one
+Cn1ccnc1CN2CCC3(CC2)CCN(C3=O)c4ccc(cc4)c5ccccc5	4JR	2-(biphenyl-4-yl)-8-[(1-methyl-1h-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
+CCC(=O)Nc1cc2ccccc2nc1	4JS	n-(quinolin-3-yl)propanamide
+c1ccc2c(c1)N=C(CS2)N	4JT	2h-1,4-benzothiazin-3-amine
+CC1CCC(CC1)N	4JU	trans-4-methylcyclohexanamine
+Cc1ccc(cc1)COc2cccc3c2c(nc(n3)N)N	4JV	5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine
+CN(c1ccccc1)C(=O)[C@@H]2COc3ccccc3O2	4JW	(2s)-n-methyl-n-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
+Cc1cc(n2c(n1)c(cn2)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O)C	4JX	n-[(1r,2s,3s,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4)/N	4JY	4-[[(r)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1h-imidazol-2-yl)methyl]amino]benzenecarboximidamide
+Cc1ccc(cc1)N2C(=NC(=O)Nc3cc(n[nH]3)COc4cccnc4)C=C(N2)C(C)(C)C	4JZ	1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3h-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1h-pyrazol-5-yl}urea
+c1cc2c(c[nH]c2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)C#N	4K0	4-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile
+[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4C(=O)N)/N	4K1	2-[2-[(r)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1h-imidazol-4-yl]benzamide
+c1cc2cccnc2c(c1)OC(=O)N3CCCCC3	4K2	quinolin-8-yl piperidine-1-carboxylate
+c1ccc(cc1)NC(=O)CCS	4K3	n-phenyl-3-sulfanylpropanamide
+CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C	4K4	2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+COc1cc(c(cc1Nc2ncc(c(n2)NC3CC3)C(F)(F)F)F)C(=O)N4CCOCC4	4K5	(4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone
+Cc1cc2c(cc1C)nc([nH]2)CCNC(=O)c3ccc(cc3)n4cnnc4	4K6	n-[2-(5,6-dimethyl-1h-benzimidazol-2-yl)ethyl]-4-(4h-1,2,4-triazol-4-yl)benzamide
+Cc1ccc(cc1)CNC(=O)N2CCC[C@@]3(C2)CCN(C3)Cc4ccc(c(c4)Cl)Cl	4K7	(5r)-2-(3,4-dichlorobenzyl)-n-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
+c1ccc2cnc(cc2c1)C(=O)O	4K8	isoquinoline-3-carboxylic acid
+c1ccc2c(c1)CCCN2C(=O)c3ccc(cc3)S(=O)(=O)N	4K9	4-(3,4-dihydroquinolin-1(2h)-ylcarbonyl)benzenesulfonamide
+Cc1c2c(c[nH]n2)[nH]n1	4KA	3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole
+c1cc(ccc1C(=O)N2CCc3cc(c(cc3C2)O)O)S(=O)(=O)N	4KB	4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1h)-yl)carbonyl]benzenesulfonamide
+c1ccc2c(c1)CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N	4KC	4-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)benzenesulfonamide
+COc1cc2c(cc1OC)CN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N	4KD	4-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)carbonyl]benzenesulfonamide
+c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@@H]2O)O)C(=O)O)O	4KE	(3r,4s,5r)-3,4-dihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid
+CC[C@H](C)[C@@H]([C@H](C(=O)NCc1cc(cc(c1)OC)OC)O)C(=O)O	4KF	(2s,3s)-2-{(1r)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid
+c1ccc(cc1)c2ccc3c(c2)N=C(N(C3=O)C[C@H]4CC[C@H](O4)c5ccccc5)N	4KG	2-amino-7-phenyl-3-{[(2r,5s)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3h)-one
+c1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccncc3)F	4KH	2-fluoro-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide
+[H]/N=C(/N=C/CC[C@@H](C(=O)O)N)\N(C)OC	4KJ	(5e)-5-[(n-methoxy-n-methylcarbamimidoyl)imino]-l-norvaline
+COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccncc3	4KK	2-(3-methoxyphenyl)-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide
+c1cc2c(cc(nc2c(c1)O)C(=O)O)O	4KL	xanthuric acid
+CC(=O)N(C)c1ccc(cc1)OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F	4KM	tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate
+c1cc(ccc1OCC(=O)c2ccc(c(c2O)O)O)F	4KN	2-(4-fluorophenoxy)-1-(2,3,4-trihydroxyphenyl)ethanone
+Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O	4KO	(6r,7s)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia -1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+c1ccc(cc1)P(CCCCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5)(c6ccccc6)c7ccccc7	4KP	8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9h-purin-6-amine
+CC(C)(C)OC(=O)c1c(ccc(c1O)C(F)(F)F)COc2ccc(cc2)c3ccc(cc3)CC(=O)O	4KQ	2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O	4KR	7-aminocephalosporanic acid
+COc1ccc(cc1)O	4KS	4-methoxyphenol
+COc1ccc(cc1c2ccnc(c2)Nc3ccc(c(c3)OC)N4CCOCC4)C#N	4KT	4-methoxy-3-[2-[(3-methoxy-4-morpholin-4-yl-phenyl)amino]pyridin-4-yl]benzenecarbonitrile
+c1cc(c(cc1NCS)S(=O)(=O)O)CCc2ccc(cc2S(=O)(=O)O)NCS	4KU	2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}
+CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)(S(C)(C)O)Cl	4KV	3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O	4KX	1,5 dienoyl-coa
+CC(=O)N1C[C@@H](C[C@H]1C(=O)O)OCCCCCCC=C	4KY	(4r)-1-acetyl-4-(oct-7-en-1-yloxy)-l-proline
+B([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O	4KZ	n-[(1r)-1-(dihydroxyboranyl)-2-phenylethyl]-nalpha-(pyrazin-2-ylcarbonyl)-l-phenylalaninamide
+CCCCCCO[C@@H]1C[C@H](N(C1)C(=O)C)C(=O)O	4L0	(4r)-1-acetyl-4-(hexyloxy)-l-proline
+CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccccn6	4L1	5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1h,1'h-2,5'-bibenzimidazole
+CC1=CC(=O)N(c2c1ccc(c2)N3CCCCC3=O)C	4L2	1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1h)-one
+CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NC(=O)OC(C)(C)C)c4ccccc4)C	4L3	tert-butyl [(2r,3s)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate
+C/C(=C\c1ccc(c(c1)O)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@H]([C@@H]([C@H]4[C@@H]([C@H]3O)OCO4)O)O	4L4	hygromycin a
+CC(C)Nc1ccc2ncc(n2n1)c3ccc(c(c3)OC)C(=O)N	4L5	2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
+Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N	4L6	4-amino-8-(5-methyl-1h-indazol-6-yl)cinnoline-3-carboxamide
+c1cc2c(cc1[C@H]3CNC[C@@H]3C(=O)c4ccc(s4)Br)N=CNC2=O	4L7	7-{(3s,4r)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3h)-one
+CC(C)C[C@H](CN)C(=O)O	4L8	(2r)-2-(aminomethyl)-4-methylpentanoic acid
+C[C@@H](C(=O)N[C@H]1CC=C[C@@H](N(C1=O)C)c2ccccc2)NC(=O)Cc3cc(cc(c3)F)F	4L9	n~2~-[(3,5-difluorophenyl)acetyl]-n-[(3s,7r)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1h-azepin-3-yl]-l-alaninamide
+B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C	4LA	(r)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1h-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate
+c1ccc(c(c1)COC(=O)NCC2CCC(CC2)C(=O)O)Cl	4LB	trans-4-[({[(2-chlorobenzyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid
+Cn1c2cc(ccc2nc1c3c[nH]c4c3ccc(c4)C#N)C(=O)N5CCO[C@H]([C@@H]5CO)c6ccccc6	4LC	3-(6-{[(2s,3s)-3-(hydroxymethyl)-2-phenylmorpholin-4-yl]carbonyl}-1-methyl-1h-benzimidazol-2-yl)-1h-indole-6-carbonitrile
+Cc1c(c(n[nH]1)C2CC2)c3c4c(ccn3)[nH]c5c4cc(c(c5)c6c(noc6C)C)OC	4LD	1-(3-cyclopropyl-5-methyl-1h-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5h-pyrido[4,3-b]indole
+[C@@H](C(F)(F)F)(OC(F)F)Cl	4LE	(2r)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
+c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O	4LF	n-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide
+COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5ccn(c5c4)CC(=O)OC	4LG	methyl (6-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetate
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	4LH	n-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide
+Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NC)C(=O)NC	4LI	(4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-methyl-1,3-thiazolidine-4-carboxamide
+C(CN)CBr	4LJ	1.7.6 3-bromanylpropan-1-amine 
+COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O	4LK	3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
+CCCCNc1ccc2cccc(c2n1)O	4LL	2-(butylamino)quinolin-8-ol
+C/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	4LM	(2e)-2-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid
+Cc1ccc(c2n1nc3c2C[C@](CC3)(C)NC(=O)c4ccc(cc4)n5cnnc5)O	4LN	n-[(2r)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4h-1,2,4-triazol-4-yl)benzamide
+Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3nc4c(c[nH]n4)c(n3)Nc5ccccc5S(=O)(=O)C(C)C	4LO	n~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-n~4~-[2-(propan-2-ylsulfonyl)phenyl]-2h-pyrazolo[3,4-d]pyrimidine-4,6-diamine
+CC1(c2c(ccc(c2F)N3C=C(C(=O)C(=N3)c4ccnn4c5ccccc5)OC)N(C1=O)CC6CC6)C	4LP	1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one
+CCn1c(nnc1CCC(=O)Nc2cccc3c2cccc3)CCC4CCCCC4	4LQ	3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-n-naphthalen-1-yl-propanamide
+CC(=CCOP(=O)(O)O)C	4LR	dimethylallyl monophosphate
+Cc1cc2c(cc1C)N(C3=C(N2CC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	4LS	1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono -d-ribitol
+C[C@H](C(=O)O)F	4LT	(2r)-2-fluoropropanoic acid
+Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C	4LU	1-deoxy-5-o-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7h-quinolino[1,8-fg]pteridin-12-ium-7-y l)-d-ribitol
+C/C(=C\c1ccccc1)/C(=O)O	4LV	(2e)-2-methyl-3-phenylprop-2-enoic acid
+c1ccc(cc1)/C=C(/C(=O)O)\F	4LW	(2z)-2-fluoro-3-phenylprop-2-enoic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=S)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	4LX	n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanethioamide
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5cc(c(c(c5)F)C6=CCN(CC6)C)F	4LY	[3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}-1h-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile
+c1cc(ccc1C[C@@H](C(=O)O)N)OCCN=[N+]=N	4LZ	o-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-l-tyrosine
+Cc1ccc(c(c1)N)C(=O)O	4M0	2-azanyl-4-methyl-benzoic acid
+Cc1cc2c(cc1C)nc([nH]2)[C@@H](CNC(=O)c3c(cc(cc3Cl)n4cnnc4)Cl)c5ccccc5	4M1	2,6-dichloro-n-[(2r)-2-(5,6-dimethyl-1h-benzimidazol-2-yl)-2-phenylethyl]-4-(4h-1,2,4-triazol-4-yl)benzamide
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC/C(=C/2\[C@H]([C@@H]([C@H](O2)Oc3ccc(cc3)/C=C(\C)/C(=O)N[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5ncnc6N(C)C)CO)O)O)/OC)O)OC)OC	4M2	3'-deoxy-3'-{[(2e)-3-(4-{[(4z)-6-o-(6-deoxy-3,4-di-o-methyl-alpha-d-mannopyranosyl)-5-o-methyl-alpha-d-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-n,n-dimethyladenosine
+[H]/N=C(\c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](c2ccccc2)C(=O)O)/N	4M3	n-(4-carbamimidoylbenzoyl)-beta-alanyl-n-[(s)-carboxy(phenyl)methyl]-l-alpha-asparagine
+COc1cc(ccc1O)C=C	4M4	2-methoxy-4-vinylphenol
+CC/C=C\CC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O	4M5	(4~{z},7~{z},10~{z},13~{z},19~{z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid
+c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5	4M6	1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid
+c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O	4M7	(1r)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2h-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide
+CO[P@](=O)(CC[C@@H](C(=O)O)N)O	4M8	(2s)-2-amino-4-[(s)-hydroxy(methoxy)phosphoryl]butanoic acid
+[H]/N=C(/CCC(=O)N)\C1=N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1CC=O	4M9	(4z)-4-imino-4-[(4z)-4-(1h-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1h-imidazol-2-yl]butanamide
+Cc1ccc(cc1)C(=O)O	4MA	4-methylbenzoic acid
+CS(=O)(=O)Nc1ccc(cc1)C(=O)O	4MB	4-[(methylsulfonyl)amino]benzoic acid
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C	4MC	(z)-n-(5-guanidino-1-oxo-1-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)pentan-2-yl)-4-methylpiperazine-1-carboxamid e
+C[N@@](Cc1ccc(cc1)Cl)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N	4MD	n-(4-chlorobenzyl)-n-methylbenzene-1,4-disulfonamide
+COC(=O)c1cccc2c1cc[nH]2	4ME	methyl 1h-indole-4-carboxylate
+Cc1cccc2c1ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4MF	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methyl-1h-indole
+Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C	4MG	1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1h-indol-5-yl)amino]pyrimidin-4-yl}-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)S(=O)(=O)N	4MH	2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-n-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide
+CSc1ccc(cc1)C(=O)O	4MI	4-methylsulfanylbenzoic acid
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)C(=O)Cc5ccccc5)(C)C	4MJ	1-deoxy-5-o-phosphono-1-[(1s)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1h,7h-quinolino[1 ,8-fg]pteridin-7-yl]-d-ribitol
+Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	4MK	5-chloro-n~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-n~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine
+C[C@@]1(C=CC(=O)O1)CC(=O)O	4ML	[(2s)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
+C[N+](C)(C)[C@@H](CCSC)C(=O)O	4MM	n,n,n-trimethylmethionine
+Cc1ccc(cc1)N	4MN	4-methylaniline
+[Mo+4]	4MO	molybdenum(iv) ion
+COc1ccc(cc1)C(=O)N2CCCC2=O	4MP	1-(4-methoxybenzoyl)-2-pyrrolidinone
+CN1CCCN(CC1)c2c3ccccc3ncn2	4MQ	4-(4-methyl-1,4-diazepan-1-yl)quinazoline
+c1ccc(cc1)Oc2ccc(cc2)C3(C(=O)NC(=O)NC3=O)N4CCN(CC4)c5ncccn5	4MR	5-(4-phenoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-2,4,6(2h,3h)-trione
+CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)Cl)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O	4MS	n-({3-[(5s)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide
+c1cc(ccc1CCNC=S)O	4MT	n-[2-(4-hydroxyphenyl)ethyl]thioformamide
+CC1=CC(=O)Oc2c1ccc(c2)O	4MU	7-hydroxy-4-methyl-2h-chromen-2-one
+CC(C)CCC(=O)O	4MV	4-methyl valeric acid
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C	4MW	2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(4-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide
+CCCCCc1cc(cc(c1C(=O)O)O)O	4MX	2,4-bis(oxidanyl)-6-pentyl-benzoic acid
+[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	4MY	myo inositol 3,4,5,6 tetrakisphosphate
+Cc1c[nH]cn1	4MZ	4-methylimidazole
+Cc1c[n+](c(c(c1OC)C)CS)c2[nH]c3c(n2)ccc(n3)OC	4N1	4-methoxy-1-(5-methoxy-3h-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium
+C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	4N2	beta-l-idopyranose
+CCCCCCCC(=O)N[C@H](C(C)C)C(=O)O	4N3	n-octanoyl-d-valine
+CC(=O)c1cccc(c1)n2c(nnn2)S(=O)(=O)Cc3cccc(c3)Cl	4N5	1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1h-tetrazol-1-yl}phenyl)ethanone
+c1c(c(c2c(c1Cl)non2)[N+](=O)[O-])NCCO	4N6	2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol
+Cc1ccc(cc1)C(=O)/C=C(/c2ccccc2)\N3CCC[C@H]3C(=O)O	4N7	1-[(1z)-3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-1-yl]-l-proline
+c1cc(oc1)CNC(=S)N2CCC[C@H]2C(=O)O	4N8	1-[(furan-2-ylmethyl)carbamothioyl]-l-proline
+c1cc(ccc1CNC(=S)N2CCC[C@H]2C(=O)O)C#N	4N9	1-[(4-cyanobenzyl)carbamothioyl]-l-proline
+c1cc(ccc1c2ccc3c(c2)ccc(c3Cl)O)O	4NA	1-chloro-6-(4-hydroxyphenyl)-2-naphthol
+c1cc(ccc1C(=O)O)[N+](=O)[O-]	4NB	4-nitrobenzoic acid
+c1cc(c(cc1[N+](=O)[O-])O)O	4NC	4-nitrocatechol
+c1ccc(cc1)N(c2ccccc2)C(=O)NNC(=N)N	4ND	n4-(n,n-diphenylcarbamoyl)-aminoguanidine
+CCCC[P+](CCCC)(CCCC)CCCC	4NE	tetrabutylphosphonium
+c1cc(ccc1NC=S)[N+](=O)[O-]	4NF	n-(4-nitrophenyl)thioformamide
+C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O	4NG	[(3s,5s)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid
+CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)OCC#CCN)C(=O)NO)C	4NH	4-({4-[(4-aminobut-2-ynyl)oxy]phenyl}sulfonyl)-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
+C(CC(=O)O)C[N+](=O)[O-]	4NI	4-nitrobutanoic acid
+CN1C(=O)C(=C([C@]1(Cc2ccc(cc2)Cl)O)c3c[nH]c4c3ccc(c4)Cl)Cc5ccc(cc5)Cl	4NJ	(5s)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1h-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2h-pyrrol-2-one
+C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O	4NK	(1s)-1-carboxy-4-({(1r)-1-carboxy-2-[(s)-{4-[(2s)-2-carboxy-2-(trimethylammonio)ethyl]-1h-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium
+c1cc(ccc1N)O	4NL	4-aminophenol
+c1cc(ccc1CS)[N+](=O)O	4NM	4-nitrophenyl methanethiol
+CC(=O)NC1=C[C@@H]([C@H](OC1=O)CO)O	4NN	n-[(5s,6r)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2h-pyran-3-yl]acetamide
+c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O	4NO	4-nitro-2-phosphonobenzoic acid
+c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O	4NP	4-nitrophenyl phosphate
+c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F	4NR	5-(4-fluorophenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O	4NS	4-nitrophenyl sulfate
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N)O	4NT	[(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C[C@H]([C@@H](C1=N/C(=C\C2C=C(C(=O)C(=C2)Cl)Cl)/C(=O)N1CC(=O)O)N)O	4NU	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc(ccc1CC2=C([C@](OC2=O)(Cc3ccc(cc3)Cl)O)c4c[nH]c5c4ccc(c5)Cl)Cl	4NX	(5r)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1h-indol-3-yl)-5-hydroxyfuran-2(5h)-one
+c1cc(ccc1Cn2cc(c3c2cc(cc3)Cl)/C=C(\C#N)/c4ccc(cc4)C(=O)O)F	4NY	4-{(z)-2-[6-chloro-1-(4-fluorobenzyl)-1h-indol-3-yl]-1-cyanoethenyl}benzoic acid
+c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N	4NZ	4-nitrobenzenesulfonamide
+Cc1c(c2ccc(c(c2n1CC(=O)N3CC4(CC4)c5c3cccc5)F)Cl)Sc6cccc(c6F)C(=O)O	4O0	3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'h)-yl)ethyl]-1h-indol-3-yl}sulfanyl)-2-fluorobenzoic acid
+C[C@@H](C(=O)N1CCCN(CC1)C)N2CC[C@@H](C2=O)N(CC(=O)N)S(=O)(=O)c3ccc4cc(ccc4c3)Cl	4O1	n~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-n~2~-{(3s)-1-[(2s)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide
+c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)N(C5=O)CCC(=O)O	4O2	3-[(11as)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1h-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3h)-yl]propanoic acid
+c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)NC5=O	4O3	(11as)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1h-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2h)-dione
+CCC(=O)CN([C@H]1C=CN(C1=O)[C@@H](C)C(=O)N2CCOCC2)S(=O)(=O)c3ccc4cc(ccc4c3)Cl	4O4	6-chloro-n-{(3s)-1-[(2s)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1h-pyrrol-3-yl}-n-(2-oxobutyl)naphthalene-2-sulfonamide
+CNC(=O)c1ccc(c(c1)F)N2C=C[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl	4O5	4-[(3s)-3-({[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1h-pyrrol-1-yl]-3-fluoro-n-methylbenzamide
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(cc3)Cl	4O6	(e)-2-(4-chlorophenyl)-n-{(3s)-1-[(2s)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3-c6n2c7ccccc7c6[C@@H]8[C@H]5[C@H](NC8)O)NC)OC	4O7	(5s,6r,7r,9r,13cr,14r,16as)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5h,13ch-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)Br)F	4O8	{2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)I)F	4O9	{5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C	4OA	(3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid
+c1ccc(cc1)/N=C(\c2cccc(c2)C(F)(F)F)/NO	4OB	n-hydroxy-n'-phenyl-3-(trifluoromethyl)benzenecarboximidamide
+CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	4OC	4n,o2'-methylcytidine-5'-monophosphate
+c1cc(cc(c1)Br)/N=C(\c2ccc(c(c2)C(F)(F)F)F)/NO	4OD	n'-(3-bromophenyl)-4-fluoro-n-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
+c1cc(ccc1c2c(cn[nH]2)c3ccc(c(c3)C(F)(F)F)F)F	4OE	5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1h-pyrazole
+CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc2c(cnc(n2)Nc3ccc(c(c3)F)C4CCN(CC4)C)C(F)(F)F	4OF	n-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
+c1ccc2c(c1)c(cs2)C[C@@H](C(=O)O)N	4OG	3-(1-benzothiophen-3-yl)-l-alanine
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1[C@H]([C@H]([C@@H]2O)O)O)O	4OH	(14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol
+c1cc(cnc1)[C@@H]2C[C@H]2C(=O)Nc3c[nH]nc3	4OI	(1~{r},2~{r})-~{n}-(1~{h}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide
+Cc1ccccc1OP(=O)(O)O	4OJ	(2-methylphenyl) dihydrogen phosphate
+c1cc(c(cc1c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5)Cl)Cl	4OK	3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9h-carbazole-1-carboxamide
+C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O	4OL	n,n'-butane-1,4-diylbis[1-hydroxy-n-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide]
+CCCC[C@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)F	4ON	5-[(2s,7r)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol
+c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=N	4OO	4-triaza-1,2-dien-2-ium-1-yl-l-phenylalanine
+C[N+]1(C[C@@H](C[C@@H]1C(=O)O)O)C	4OP	(2s,4s)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium
+CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl	4OQ	2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine
+CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N[C@H]4CCN(C4)C(=O)NC(C)(C)C)Cl	4OR	(s)-n-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
+COc1ccc(cc1)S(=O)(=O)O	4OS	4-methoxybenzenesulfonic acid
+Cc1nc(c(s1)c2ccccc2F)C(=O)N3CCC[C@H]3Cc4nnc(o4)c5ccccc5	4OT	[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2s)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone
+C=CC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N	4OU	4-(acryloylamino)-l-phenylalanine
+CC1=C(N[C@H](SC1)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)[C@@H](c2ccccc2)N)C(=O)O	4OV	(2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C4CCN(CC4)C	4OW	n-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
+C(CCC(=O)CCC(=O)O)CCC(=O)O	4OX	4-oxodecanedioic acid
+COC(=O)[C@H](COC=O)NC(=O)c1cccc(c1O)O	4OZ	methyl n-(2,3-dihydroxybenzoyl)-o-formyl-l-serinate
+CC(=O)C1=CCC[C@@H]2CC[C@H]1N2	4P0	1-[(1r,6r)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
+CNC(=O)c1ccc(c(c1)c2ccc3c(c2)CCCN3C(=O)c4c(cccc4Cl)F)Cl	4P1	4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-n-methylbenzamide
+C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5CCCCCc6c(cc7ccccc7n6)O4)C8CCCC8	4P2	(3ar,7s,10s,12r,24ar)-7-cyclopentyl-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10h-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide
+CN(c1ccc(cc1OCC(F)(F)F)c2cc(ccc2Cl)C(=O)N)C(=O)c3c(cccc3Cl)F	4P3	6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide
+c1cc(cc(c1)F)c2ccc3c(cnc(c3n2)N)C(=O)NC4CN(C4)C(=O)C5CC5	4P4	8-amino-n-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide
+c1coc2c1[nH]c(c2)C(=O)O	4P5	4h-furo[3,2-b]pyrrole-5-carboxylic acid
+c1cc(cnc1)C\2=NCCC/C2=C\c3cccs3	4P6	(3e)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine
+c1cc(cnc1)C\2=NCCC/C2=C\c3cc[nH]c3	4P7	(3e)-3-(1h-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine
+c1ccc(c(c1)Cc2cc(c(c(c2)[N+](=O)[O-])O)C=O)Cl	4P8	5-(2-chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde
+c1cc(ccc1N/N=C/c2ccc(c(c2O)O)O)Cl	4P9	4-{(e)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol
+CCCOC(=O)C	4PA	propyl acetate
+C(CC(=O)NO)CP(=O)([O-])[O-]	4PB	n-hydroxy-4-phosphono-butanamide
+CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4PC	3-(2'-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3,7-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one
+CC1=CC2=CN(C(=O)NC2=N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4PD	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-1,3-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one
+Cc1cc-2cn(c(nc2n1)O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4PE	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3h-pyrrolo[2,3-d]pyrimidin-2-ol
+C[C@H](COC[C@@H](C)OCCOC)N	4PF	(2r)-1-[(2r)-2-(2-methoxyethoxy)propoxy]propan-2-amine
+[H]/N=C(/N)\Nc1ccc(cc1)CC(=O)c2ccccc2	4PG	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine
+Cc1ccc(cc1)C[C@@H](C(=O)O)N	4PH	4-methyl-l-phenylalanine
+Cc1ccc(cc1)C(=O)N2CCC(CC2)Cc3ccccc3	4PI	n-(4-methylbenzoyl)-4-benzylpiperidine
+CCCC[C@@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)c2c(cc(cc2O)C[C@@H](C)CCCC[C@@H](CCCC)F)O	4PJ	2-[(5s,10s)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2s,7r)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol
+[H]/N=C(/N)\NOCC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc1ccccc1)O)NC(=O)OCc2ccccc2	4PK	n-[(benzyloxy)carbonyl]-o-carbamimidamido-l-homoseryl-n-{(3s,4s)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]heptan-4-yl}-l-valinamide
+Cc1c(c2c(cn1)COC2=O)O	4PL	7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3h)-one
+C1CCN(CC1)C2CCNCC2	4PN	4-piperidino-piperidine
+CC(C)(C)/[N+](=C/c1cc[n+](cc1)[O-])/[O-]	4PO	alpha-(4-pyridyl-1-oxide)-n-tert-butylnitrone
+c1cc(cc(c1)[C@H](CCCNc2ccncc2)C(=O)O)c3cccc(c3)C(=N)N	4PP	(2s)-(3'-amidino-3-biphenyl)-5-(4-pyridylamino)pentanoic acid
+c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N	4PQ	5-hydroxy-l-tryptophan
+CCCC[C@@H]([C@@H](C(=O)N[C@H](C)c1ccccc1)O)NC(=O)O[C@@H]2CN(CC2(C)C)C(=O)Nc3c(noc3C)C	4PR	(3s)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl{(1s)-1-[1-hydroxy-2-oxo-2-{[(1r)-1-phenylethyl]amino}ethyl]pentyl}carbamate
+CC(C)(CO[P@](=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	4PS	4'-diphospho pantetheine
+CCC[C@@H](O)O[C@H](COC(=O)CCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	4PT	(2r)-3-{[(s)-{[(2s,3r,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-2-(1-hydroxy butoxy)propyl butyrate
+[Pu+4]	4PU	plutonium ion
+CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cc(cc4)F)F	4PV	2,8-difluoro-11-(4-methylpiperazin-1-yl)-5h-dibenzo[b,e][1,4]diazepine
+C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O	4PW	levoglucosan
+CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O	4PX	3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1h-imidazo[4,5-c][1,8]naphthyridine-2,4-dione
+c1c(cncc1OC[C@H](CC2=C3C=CCC=C3N=C2)N)C4=NCC5=NN=CC5=C4	4PY	(2s)-1-(6h-indol-3-yl)-3-{[5-(7h-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxy}propan-2-amine
+Cc1c[nH]nc1	4PZ	4-methyl-1h-pyrazole
+CC(C)Oc1cccc2c1C(=O)N(C2=O)CCC3=Nc4ccccc4C(=O)N3c5ccc(cc5)OC	4Q0	2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1h-isoindole-1,3(2h)-dione
+CC(=CCn1c2cc(ccc2c3c1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4([C@H]3O)O)C=C(C)C)OC)C	4Q1	fumitremorgen b
+C[C@@H]1CCN([C@@H]1C(=O)N)C(=O)Nc2nc3c(s2)-c4c(cnc(n4)C(C)(C)C)CC3	4Q2	(2s,3r)-n~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide
+CC(C)n1c(cc(n1)NC(=O)C)c2ccc(c(c2)N3C[C@H]4C[C@H]4C3)N(C)C(=O)c5c(cccc5Cl)F	4Q3	n-{4-[3-(acetylamino)-1-(propan-2-yl)-1h-pyrazol-5-yl]-2-[(1r,5s)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-n-methylbenzamide
+Cc1c(nc(c(n1)N2CCC3(CC2)CO[C@H]([C@H]3N)C)CO)c4cccc(c4Cl)Cl	4Q4	{3-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](c2ccccc2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC	4Q5	n-methyl-l-valyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s,2r)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+COc1ccccc1OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	4Q7	2-methoxyphenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+Cc1ccccc1OS(=O)(=O)[C@@H]2CC3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	4Q9	2-methylphenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+CC(C)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5	4QA	4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one
+CC[C@H](CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)C(=O)N[C@@H](CC(=O)O)C=O	4QB	3-{2-ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid
+CN(C)Cc1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C(=O)N)C3=O	4QC	3-[6-{2'-[(dimethylamino)methyl]biphenyl-4-yl}-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridin-1-yl]benzamide
+C[C@@H](CN)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5	4QD	8-(3-{[(2s)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
+Cc1ccccc1c2[nH]c3c(n2)c(nc(n3)N)OCC4CCCCC4	4QE	6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9h-purin-2-amine
+C[C@H]1C[C@]2(CCN1Cc3ccccc3)C(=NC(=O)N2c4cccc(c4)F)NC5CCCCC5	4QF	(5r,7s)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
+c1cc(ccc1c2ncc(o2)c3ccc(cc3)Cl)C(=O)N	4QG	4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide
+CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccc(c(c4)OC)OC	4QH	3,4-dimethoxy-n-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]benzenesulfonamide
+c1ccc2c(c1)nc(o2)NC3=N[C@H](C4=C(N3)CCCC4=O)c5c(cn[nH]5)Cl	4QI	(4r)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1h-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1h)-one
+CN1C(=O)c2c(nn(c2Nc3ccccc3)Cc4ccc(cc4)c5cccc(n5)F)N6C1=N[C@H]7[C@@H]6CCC7	4QJ	(11r,15s)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
+c1c(nnn1CCCC[C@@H](C(=O)O)N)CCN	4QK	6-[4-(2-aminoethyl)-1h-1,2,3-triazol-1-yl]-l-norleucine
+CCCCCCCC(=O)Nc1c(c(c(c(c1I)C(=O)O)I)C(=O)O)I	4QL	2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid
+CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	4QM	(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-10,13-dimethyl-17-[(2r)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N(C)C)Cl	4QO	2-chloro-n,n-dimethyl-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzamide
+CC(C)C[C@@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O	4QP	(2r)-2-{[(r)-[(r)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid
+[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)/N	4QQ	4-[(2s)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide
+C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)C)C)OC)OC(=O)N)C)C)O)OC	4QS	[(3r,5s,6r,7r,10r,11s,12e)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
+c1(c(c(c(c(c1Br)OO)Br)OO)Br)N	4QT	5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide
+c1ccc2c(c1)[nH]c(n2)N3c4ccc(cc4NC3=O)O	4QV	5-hydroxy-1'h-1,2'-bibenzimidazol-2(3h)-one
+Cn1cncc1/C=C/2\CCN=C2c3cccnc3	4QW	3-{(4e)-4-[(1-methyl-1h-imidazol-5-yl)methylidene]-3,4-dihydro-2h-pyrrol-5-yl}pyridine
+CC(C)NC(=O)n1c(nc(n1)N)Nc2ccc(cc2)Cl	4QX	3-amino-5-[(4-chlorophenyl)amino]-n-(propan-2-yl)-1h-1,2,4-triazole-1-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O	4QY	2-acetamido-2-deoxy-6-o-phosphono-beta-d-glucopyranose
+C[C@@H](c1ccccc1)NC(=O)n2c(nc(n2)N)Nc3ccc(cc3)Cl	4QZ	3-amino-5-[(4-chlorophenyl)amino]-n-[(1s)-1-phenylethyl]-1h-1,2,4-triazole-1-carboxamide
+Cc1cc(ccc1Cl)Nc2nc(nn2C(=O)NC(C)C)N	4R0	3-amino-5-[(4-chloro-3-methylphenyl)amino]-n-(propan-2-yl)-1h-1,2,4-triazole-1-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OP(=O)(O)O	4R1	2-amino-2-deoxy-6-o-phosphono-beta-d-glucopyranose
+[H]/N=C(/N)\NC/C=C/C(=O)N1c2cc(c(cc2N(C3=C1C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)C)C	4R2	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[5-[(~{e})-4-carbamimidamidobut-2-enoyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+COc1cccc(c1)c2cc(c(c(c2)F)NC(=O)Nc3cncs3)F	4R5	1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea
+[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	4R7	methyl 6-[4-[[n-[2-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCC(=O)O	4R8	(6e,10z,13z,16z,19z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NC(=O)C)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O	4RA	[(2r,3r,4r,5s,6r)-3-acetamido-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C(=O)O	4RB	4-(6-{[(1r)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid
+c1cc(nc2c1nc([nH]2)NCCCN[C@@H]3CCNc4c3cc(cc4Cl)Cl)F	4RC	n-[(4r)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-n'-(5-fluoro-3h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+c1cc(nc2c1[nH]c(n2)NCCCN[C@@H]3CCOc4c3cc(cc4Cl)Cl)F	4RD	n-[(4r)-6,8-dichloro-3,4-dihydro-2h-chromen-4-yl]-n'-(5-fluoro-1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	4RF	tripalmitoylglycerol
+c1ccc(cc1)OCc2cccc(c2)C(=O)O	4RG	3-(phenoxymethyl)benzoic acid
+C[C@H](COCCOC)N	4RH	(2~{r})-1-(2-methoxyethoxy)propan-2-amine
+CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cn4)C(=O)O)/S2)C	4RJ	6-({4-[(z)-{(2z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid
+CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cc4)c5[nH]nnn5)/S2)C	4RK	(2z,5z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1h-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one
+CC[C@H](C)[C@@H](C(=O)NC(C)(C)C)NC(=O)C[C@H]1C(=O)N([C@H](C(=O)N1)CNC(=O)[C@H](CC(=O)O)N)Cc2ccccc2	4RL	n-{[(2s,5s)-1-benzyl-5-(2-{[(2s,3s)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-l-alpha-asparagine
+CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccncc3)/S2)CCOC	4RM	(2z,5z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
+C[C@@H](CNCc1cc(cc(c1)Cl)Cl)CNc2[nH]c3cccnc3n2	4RN	(2s)-n-(3,5-dichlorobenzyl)-n'-(1h-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine
+c1cc2c(nc1)nc([nH]2)NCC(CNCc3cc(cc(c3)Cl)Cl)(F)F	4RO	n-(3,5-dichlorobenzyl)-2,2-difluoro-n'-(1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+c1cc2c(nc1)nc([nH]2)NCCCNCc3cc(cc(c3)Cl)Cl	4RP	n-(3,5-dichlorobenzyl)-n'-(1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+c1cc(nc2c1[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl)F	4RQ	n-(3,5-dichlorobenzyl)-n'-(5-fluoro-1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3	4RR	(4r)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
+CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	4RS	trehalose mono-butyrate
+CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2[C@]14CC[C@H]5[C@@]4(C5)CO)O)Cc6ccc(c(c6)Cl)F	4RT	(1r,2s,5r)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione
+c1ccc2c(c1)c(c(nn2)C(=O)N)N	4RU	4-aminocinnoline-3-carboxamide
+Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N	4RV	4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide
+C1CC[C@@H]2[C@H](C1)CSC(=N2)N	4RW	(4as,8ar)-4a,5,6,7,8,8a-hexahydro-4h-3,1-benzothiazin-2-amine
+c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@H]([C@H]3C2)SC(=N4)N	4RX	n-[(4s,4as,6s,8ar)-10-aminohexahydro-3h-4,8a-(epithiomethenoazeno)isochromen-6(1h)-yl]-3-chlorobenzamide
+c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@@]3(C2)CSC(=N4)N	4RY	n-[(4as,6s,8ar)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4h)-yl]-3-chlorobenzamide
+c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@@H]3[C@H](C2)CSC(=N3)N	4RZ	n-[(4as,6s,8ar)-2-amino-4a,5,6,7,8,8a-hexahydro-4h-3,1-benzothiazin-6-yl]-3-chlorobenzamide
+c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)COCC(COCc4cn(nn4)[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)(COCc7cn(nn7)[C@@H]8[C@@H]([C@@H]([C@H]([C@H](O8)CO)O[C@H]9[C@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)N	4S0	dendron d2-1
+CCCNc1ncc(c(n1)N[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO)c3nc4ccccc4s3	4S1	(1r,2s,3r,5r)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol
+c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)NC4CC4)N[C@@H]5C[C@@H]([C@H]([C@H]5O)O)CO	4S2	5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3h)-one
+c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)N[C@@H]5CCCNC5	4S3	5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3r)-piperidin-3-ylamino]pyrimidin-4(3h)-one
+c1cc(ccc1C(=O)NCC(=O)O)NC(=O)c2cc(c([nH]2)Br)Br	4S4	n-(4-{[(4,5-dibromo-1h-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine
+CCCCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=N)O	4S7	1-{3-[(r)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium
+CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	4S8	n~3~-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-(2-sulfanylethyl)-beta-alaninamide
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)Br)C(=O)NO	4S9	tert-butyl [(1s)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2ccccc2)C(=O)NO	4SA	tert-butyl [(1s)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate
+c1ccc(cc1)[C@@H](CCN)C(=O)N/N=C/c2ccc(c(c2)Br)O	4SB	(2r)-4-amino-n'-[(1e)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](S2)COP(=O)(O)O)O	4SC	2'-deoxy-5-methyl-4'-thiocytidine 5'-(dihydrogen phosphate)
+C(C#N)C(CC#N)O	4SD	3-hydroxypentanedinitrile
+CC(C)[C@@H](/C=C(/C)\C(=O)O)NC	4SF	(2z,4s)-2,5-dimethyl-4-(methylamino)hex-2-enoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S)O	4SG	4-thio-alpha-d-glucopyranose
+c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CN4CCOCC4)CCCC3	4SH	n-benzyl-2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CC(C)(c1ccccc1)[C@@H](C(=O)O)NC	4SJ	n,beta,beta-trimethyl-l-phenylalanine
+CC(C)[C@@H](/C=C(/C)\C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)c1ccccc1)NC	4SL	n,beta,beta-trimethyl-l-phenylalanyl-n-[(3s,4z)-5-carboxy-2-methylhex-4-en-3-yl]-n,3-dimethyl-l-valinamide
+[S-][Mo](=S)(=S)[S-]	4SM	tetrathiomolybdate
+CC(=O)OC[C@H]1[C@H](C([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C	4SN	(6s)-1,3,4,5-tetra-o-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-l-altritol
+c1cc(ccc1C(=O)O)S(=O)(=O)N	4SO	4-sulfamoylbenzoic acid
+c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N	4SP	o6-cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
+C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O	4SQ	tetraglycine phosphinate
+COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3	4SR	(4s)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
+CCOc1cc2c(cc1OCC)[C@@H](N(C(=O)C2)c3ccc(cc3OCc4[nH]nnn4)C)c5ccc(cc5)Cl	4SS	(s)-2-(2-((2h-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4h)-one
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)CCCC4)NC)OC	4ST	1,2,3,4-tetrahydrogen-staurosporine
+C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	4SU	4-thiouridine-5'-monophosphate
+c1cncc(c1C(=O)O)N	4SV	3-aminopyridine-4-carboxylic acid
+C[C@@H](CO[C@H](C)COCCOC)N	4SW	(2~{s})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
+c1cc(c(cc1S(=O)(=O)O)O)O	4SX	3,4-dihydroxybenzenesulfonic acid
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO	4SY	tert-butyl {(1s)-2-(hydroxyamino)-1-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO	4SZ	tert-butyl [(1s)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate
+CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccccc3)Nc4ccc5c(c4)ccnc5N)NC(=O)C	4T0	n-{3-[(2r)-1-{(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide
+c1cc2cc(c1)NC(=O)CCCc3ccc(cc3)[C@H](C(=O)NC2)Nc4ccc5c(c4)ccnc5N	4T1	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO	4T2	tert-butyl {(1s)-2-(hydroxyamino)-1-[3'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate
+c1csc2c1nc(nc2Nc3cc([nH]n3)C4CC4)N5CCC(CC5)N	4T3	2-(4-aminopiperidin-1-yl)-n-(5-cyclopropyl-1h-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
+CC(C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C	4T4	(s)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4s)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4h)-one
+c1cnc(nc1Nc2cc(n[nH]2)C3CC3)NCC4CCC(CC4)N	4T5	n~2~-[(trans-4-aminocyclohexyl)methyl]-n~4~-(3-cyclopropyl-1h-pyrazol-5-yl)pyrimidine-2,4-diamine
+c1cc2c(c(c1CNc3nccc(n3)Nc4cc([nH]n4)C5CC5)Cl)[nH]cn2	4T6	n~2~-[(7-chloro-1h-benzimidazol-6-yl)methyl]-n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine
+c1ccc2cc(ccc2c1)[C@H](CO)O	4T7	(1r)-1-(naphthalen-2-yl)ethane-1,2-diol
+CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@@H](CO)N)O	4T8	5'-({[(2r,3r)-3-amino-2-({2-[(n-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-hydroxybutyl]sulfonyl}amino)-5'-deoxyadenosine
+COc1ccc(cc1OC)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2	4T9	n-(3,4-dimethoxyphenyl)-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	4TA	p1-(5'-adenosyl)p4-(5'-(2'-deoxy-thymidyl))tetraphosphate
+c1cc(sc1)CCCC(=O)O	4TB	4-(2-thienyl)butyric acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)O)N	4TC	p1-(5'-adenosine)p4-(5'-uridine)-beta,gamma-methylene tetraphosphate
+C[C@H](COCC(COC[C@H](C)O)(COC[C@H](C)O)COC[C@H](C)O)O	4TD	(2s)-1-[3-[(2s)-2-oxidanylpropoxy]-2-[[(2s)-2-oxidanylpropoxy]methyl]-2-[[(2r)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol
+C[C@H]1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O	4TE	(1s,2r,3s,4r,5s)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
+CCCOC[C@@H]1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O	4TF	(1r,2s,3r,4s,5s)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC=O	4TG	dtdp-4,6-dideoxy-4-formamido-glucose
+CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)Cc5ccncc5	4TH	(s)-7-((r)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4h)-one
+[Ti+4]	4TI	titanium ion
+CC[N+]1=C(C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C)C=CC=CC=C3C(c4ccc(cc4N3CCCCCC(=O)NCCOCCOCCNC(=O)CCCc5[nH]c6c(n5)N(C(=O)N(C6=O)C)C)S(=O)(=O)O)(C)C	4TJ	2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2h-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3h-indolium-5-sulfonate
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO	4TK	n-[(1r)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO	4TL	n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO	4TM	n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide
+CCOc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C	4TN	(2e)-3-[3-(3-ethoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-4-hydroxyphenyl]acrylic acid
+c1cc(cc(c1)C(F)(F)F)c2ccc3c(n2)N([C@H]4CC[N@@]3C4)C(=O)Nc5cccc(c5)c6cnco6	4TO	(4s)-n-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2h)-carboxamide
+C([C@H]([C@@H](C(=O)O)N)O)OP(=O)(O)O	4TP	4-hydroxy-l-threonine-5-monophosphate
+C[C@H]1CN(c2ccc(nc2N1C(=O)Nc3cccc(c3)c4cnco4)c5cccc(c5)C(F)(F)F)C	4TQ	(3s)-1,3-dimethyl-n-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1h)-carboxamide
+c1cc(ccc1C#N)N(Cc2ccc(c(c2)Br)OS(=O)(=O)N)n3cnnc3	4TR	2-bromo-4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate
+c1ccc2c(c1)c3c([nH]2)-c4c(cn[nH]4)CCC3	4TT	4,5,6,11-tetrahydro-1h-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole
+c1cc2c(cc1Cl)CCN2C(=O)N	4TU	5-chloranyl-2,3-dihydroindole-1-carboxamide
+Cn1cc(cn1)c2ccc(cc2)c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl	4TV	8-{3-chloro-5-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one
+CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2cc(cs2)c3ccnc(c3)F	4TW	n-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide
+Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C	4TX	5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
+CC(C)(C)OC(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO	4TY	tert-butyl [(1r)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
+c1cc(ccc1CN(c2ccc(cc2)C#N)n3cnnc3)OS(=O)(=O)N	4TZ	4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)O)O)O)O	4U0	(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal  actopyranosyl-(1->4)-beta-d-glucopyranose
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O	4U1	(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal  actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O	4U2	(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->3)-beta-d-gal  actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Cl)COP(=O)(O)O)O	4U3	5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate)
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO	4U5	n-{(1r)-2-(hydroxyamino)-1-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO	4U6	n-{(1r)-2-(hydroxyamino)-1-[3'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide
+[B-](CCCC[C@@](C(F)F)(C(=O)O)N)(O)(O)O	4U7	[(5s)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-)
+CC(C)Oc1ccc(cc1)n2c3ccc(cc3cc2C(=O)O)c4ccc(cc4)C(C)(C)C	4U8	5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1h-indole-2-carboxylic acid
+c1cc(c(c(c1)Cl)c2[nH]c(c(n2)Br)c3ccc(nc3)C#Cc4ccc(cc4)C(F)(F)F)F	4U9	5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1h-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine
+Cc1ccc(cc1)CNC(=O)N2CCC(CC2)(CNS(=O)(=O)c3cc(ccc3OC)C)c4ccccc4	4UA	4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-n-(p-tolylmethyl)piperidine-1-carboxamide
+c1ccc(cc1)c2cnc3n2cc(nc3)c4c[nH]nc4	4UB	3-phenyl-6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine
+CCOc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)Nc4ccc(cc4)S(=O)(=O)NC(=O)C	4UC	n-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
+C1C=NO[C@@H]1[C@@H](C(=O)O)N	4UD	(2s)-amino[(5s)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
+CCOC(=O)c1cc2cc(ccc2[nH]1)c3cncn3C	4UE	ethyl 5-(1-methyl-1h-imidazol-5-yl)-1h-indole-2-carboxylate
+CCOC(=O)c1cc2cc(ccc2[nH]1)c3cc(nn3C)C(=O)NCc4ccc(cc4)C(=O)O	4UF	4-{[({5-[2-(ethoxycarbonyl)-1h-indol-5-yl]-1-methyl-1h-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid
+C1C[C@H](C(=O)NC1)C[C@@H]([C@H](C#N)O)N	4UG	(2~{r},3~{s})-3-azanyl-2-oxidanyl-4-[(3~{s})-2-oxidanylidenepiperidin-3-yl]butanenitrile
+C[C@H]1/C=C/C/C=C/CCCCCCCCC[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O	4UH	(1r,3s,5r,6r,9r,11r,15s,16r,17r,18s,19e,22e,33s,35s,36r,37s)-33-[(3-amino-3,6-dideoxy-beta-d-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,22-diene-36-carboxylic acid
+c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl	4UJ	2-chloro-n-(4-phenyl-1,3-thiazol-2-yl)benzamide
+CC(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]cc(n2)c3ccc(cc3)Cl)C(F)F	4UK	n-[4-(4-chlorophenyl)-1h-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide
+Cc1c(nc([nH]1)NC(=O)c2cc(cnc2C(F)F)CNC(=O)C(C)C)c3ccc(cc3)C(F)(F)F	4UL	2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-n-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-2-yl}pyridine-3-carboxamide
+CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)N	4UM	ethyl 5-carbamoyl-1h-indole-2-carboxylate
+Cc1nc(no1)C(Cc2ccccc2)(Cc3ccc(cc3)NS(=O)(=O)O)c4nc(on4)C	4UN	{4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O	4UO	2,3-dihydroxanthosine
+[H]/N=C(/c1ccc2cc(ccc2c1)[C@H]3[C@@H](O3)c4ccccc4)\N	4UP	6-[(2s,3s)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide
+CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]2CCCN(C2)c3ccc(c(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)C(=O)N	4UQ	6-{(3r)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N	4UR	3'2'-cgamp
+CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5Cl	4US	4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9h-carbazole-1-carboxamide
+CCN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4ccc(cc4n[nH]3)c5cccc(c5)OC	4UT	4-(4-ethylpiperazin-1-yl)-n-[6-(3-methoxyphenyl)-2h-indazol-3-yl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CCC(=O)C=C4)O)O)N	4UU	5'-o-[(r)-hydroxy{[(2e)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CC(=O)C(=O)C=C4)O)O)N	4UV	5'-o-[(r)-{[(2e)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine
+COC1=CC(=CCC1=O)/C=C/C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	4UW	5'-o-[(r)-hydroxy{[(2e)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)N	4UX	(3r,3as,4r,6ar)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)OC	4UY	(3r,3as,4r,6ar)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1ccc(cc1)COC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O	4UZ	2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-d-glucopyranose
+C1C=C(C=CN=C1)C[C@@H](C(=O)O)N	4V0	3-(3h-azepin-5-yl)-l-alanine
+Cc1cc(cc(c1O)C)C2=Nc3c(c4c(s3)CN(CC4)C)C(=O)N2	4V1	2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3h)-one
+c1cc(cc(c1)O)c2nnc(o2)S	4V2	3-(5-mercapto-1,3,4-oxadiazol-2-yl)-phenol
+c1ccc2c(c1)C=C(S2(=O)=O)COC(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O)CO)O)O	4V3	2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-d-glucopyranose
+Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC	4V4	n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)-n1,n2-dimethylethane-1,2-diamine
+c1cc(ccc1CCC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)O	4V5	2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-d-glucopyranose
+C[C@@H]1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C	4V6	(3r)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+c1c(cnc2c1c(c([nH]2)CO)c3ncc(c(n3)N[C@H]4CCC[C@H](C4)NC(=O)N5CCCC5)F)F	4V7	n-[(1r,3s)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide
+c1ccc(cc1)CN2C=CC(=CC2=O)N3CCc4c(c([nH]n4)c5ccncc5)C3	4V8	1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1h)-one
+c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2	4V9	3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine
+CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)N	4VA	(2s)-4-amino-n-[(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium
+c1cnccc1c2c3c(n[nH]2)CCN(C3)C4=CC(=O)NC=C4	4VB	4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1h)-one
+c1ccc(c(c1)NC(=O)NCc2cccnc2)Cl	4VC	1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea
+Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F	4VD	n-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
+Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)[C@H](C)Nc4nc5cc(ccc5o4)F	4VE	n-(5-{(1s)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
+c1cc(cc(c1)Cl)[C@@H](CO)N2CCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5	4VF	2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2h)-one
+c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5	4VG	2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepin-1-one
+c1ccc(cc1)OCC(=O)N[C@@H](Cc2cn(nn2)CCNC(=O)c3ccc(cc3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)NCCO	4VH	n-[2-[4-[(2s)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide
+[H]/N=C(/C/C=C/N/C(=N\[H])/N)\C(=O)O	4VI	(2z,4e)-5-carbamimidamido-2-iminopent-4-enoic acid
+c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)N[C@H]5CC[C@H](C5)O	4VJ	2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1s,3r)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepin-1-one
+c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)c3cccc(c3)CO	4VK	n-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide
+c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)F	4VL	1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid
+c1cc2cc(ccc2nc1)CNC(=O)C3CCN(CC3)c4ccc(cn4)c5cc(ccc5F)CO	4VM	1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-n-(quinolin-6-ylmethyl)piperidine-4-carboxamide
+c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)Cl	4VN	1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid
+C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@H]2c7ccccc7)OC	4VO	(2s,3s,3ar,5ar,6r,11br,11cs)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1h-6,11b-(epiminoethano)-3,5a-m ethanonaphtho[2,1-g]indol-10-ol
+C=Cc1ccc(cc1)O	4VP	4-ethenylphenol
+Cc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N	4VQ	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid
+CCCC1=CC(=O)n2c(nc(n2)NCc3ccc(cc3)Br)N1	4VR	2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4h)-one
+CCC1=CC(=O)n2c(c(c(n2)C)C#N)N1	4VS	5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1ccc(cc1)CC2=CC(=O)n3c(c(cn3)C#N)N2	4VT	5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1cc(cnc1)[C@H]2CC3CCN2CC3	4VU	(2r)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane
+C1N(/C(=C/NO)/N=C1)CCCCCCCN2/C(=C/NO)/N=CC2	4VV	(z,z)-[heptane-1,7-diylbis(1h-imidazol-1-yl-2-ylidene)]bis(n-hydroxymethanamine)
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccc(cc3)N	4VW	5-[(2s)-2-[[(4-aminophenyl)carbonylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid
+CN(CCO)c1ccc(cn1)Br	4VY	2-[(5-bromo-2-pyridyl)-methyl-amino]ethanol
+CCOc1cc(ccc1O)/C=C\2/C(=O)NC(=S)S2	4VZ	(5~{z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+CC1=C(Nc2cccc(c2C1=O)F)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F	4W0	5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1h)-one
+c1ccc2c(c1)c(cs2)CO	4W1	1-benzothiophen-3-ylmethanol
+CCCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3F)Cl)C#N)N1	4W4	5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CCOC(=O)c1ccc2c(c1)c[nH]n2	4W5	ethyl 2h-indazole-5-carboxylate
+CCCC1=CC(=O)n2c(c(c(n2)CC(=O)N3CCCC3)C#N)N1	4W6	7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)c3cc4c([nH]3)cccc4OC)C(=O)N[C@@H](C[C@@H]5CCNC5=O)[C@@H](c6nc7ccccc7s6)O)C	4W8	(1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1h-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+CC[C@@H]1C[C@@]2(C=C([C@@H](C[C@@]23C(=C(C(=O)[C@@]4([C@@H](CC[C@H]5[C@H]4CCC[C@@H]5O)C[C@H]1O)C)C(=O)N3)O)C)C)C	4W9	(4s,4as,6as,8r,9r,10ar,13r,14as,18ar,18br)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1h-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15h,17h)-dione
+c1cc(ccc1N)N=Nc2ccc(cc2)S(=O)(=O)N	4WA	4-[(e)-(4-aminophenyl)diazenyl]benzenesulfonamide
+C1CCC(CC1)C[C@@H](C(=O)O)O	4WC	(s)-cyclohexyl lactic acid
+COc1ccc(cc1C#C)/C=C\2/C(=O)NC(=S)S2	4WD	(5~{z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)NCCN4CCCCC4)F	4WE	4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)-n-[2-(piperidin-1-yl)ethyl]benzamide
+c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O	4WF	5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione
+CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O	4WG	2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+Cc1cc(c(cc1OC)OC)n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C(C)(C)C)C	4WH	4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1h-1,2,3-triazole
+[H]/N=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F	4WI	(1r,2s,5s)-n-{(1e,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-(trifluoroacetyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
+c1c(cn(n1)C2CC[NH2+]CC2)Br	4WJ	4-(4-bromo-1h-pyrazol-1-yl)piperidinium
+C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)[NH3+]	4WK	(2s)-1-{[(2s)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium
+c1csc2c1[nH]c(c2)C(=O)O	4WL	4h-thieno[3,2-b]pyrole-5-carboxylic acid
+CC(C)(C)O[C@@H](N[C@H](CCC(O)O)C[Se][C@H]1CCCC=C1)O	4WM	(4r)-4-{[(s)-tert-butoxy(hydroxy)methyl]amino}-5-[(1s)-cyclohex-2-en-1-ylselanyl]pentane-1,1-diol
+Cn1ccnc1CCN2CCc3cccc(c3C2)N	4WN	2-[2-(1-methyl-1h-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+COC(=O)CCN1CCc2cccc(c2C1)N	4WO	methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1h)-yl)propanoate
+COC(=O)CCN1CCc2ccccc2C1	4WP	methyl 3-(3,4-dihydroisoquinolin-2(1h)-yl)propanoate
+CC(C)(C)CCCC[C@@H](C(=O)O)N	4WQ	(2s)-2-amino-7,7-dimethyloctanoic acid
+C1=C(C(=O)NC(=O)N1C[C@@H](CN)N)F	4WR	1-[(2r)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1h,3h)-dione
+CC(=O)NC[C@@H]1[C@H]([C@@H]([C@@H]2N1CC[C@@H]2O)O)O	4WS	n-{[(1r,2r,3r,7s,7ar)-1,2,7-trihydroxyhexahydro-1h-pyrrolizin-3-yl]methyl}acetamide
+CC1(CNCc2c1cccc2)C	4WT	4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
+c1cc2c(c(c1)N)CNCC2	4WU	1,2,3,4-tetrahydroisoquinolin-8-amine
+C1OC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	4WV	bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(oxydimethanethiolate-1kappas:2kappas)diiron(2+)
+C1C[S]2[Fe]3(C(=O)[Fe]2([S]3C1)(C#N)C#[O+])(C#N)C#[O+]	4WW	bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~s~1~,s~3~:2kappa~2~s~1~,s~3~] diiron(2+)
+C1SC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	4WX	bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappas:2kappas)diiron(2+)
+C(C(=O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O	4WY	{[(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
+C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	4WZ	{[(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid)
+c1ccc2c(c1)CCN(C2)CCCN	4X1	3-(3,4-dihydroisoquinolin-2(1h)-yl)propan-1-amine
+c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=CNC2=O	4X2	(2-{[(2s)-1-hydroxy-3-(6-oxo-1,6-dihydro-9h-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid
+CCN1CCc2c(cccc2N)C1	4X3	2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine
+COc1ccc2c([nH]1)c(c3n2cc4c3nccc4)CCNC(=O)c5ccco5	4X4	n-[2-(2-methoxy-1h-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide
+CN1CCc2c(cccc2N)C1	4X6	2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
+c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=C(NC2=O)N	4X7	(2-{[(2s)-1-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid
+Cc1c(ccnc1CN2CCc3cccc(c3C2)N)N	4X8	2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+Cc1c(c(c(c(n1)C)Cl)O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F	4X9	3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol
+Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)N/N=C/c4ccco4	4XA	3-(5,6-dimethyl-2h-isoindol-2-yl)-n'-[(e)-furan-2-ylmethylidene]benzohydrazide
+Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC	4XB	3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate
+CNC(=O)CCN1CCc2cccc(c2C1)N	4XC	3-(8-amino-3,4-dihydroisoquinolin-2(1h)-yl)-n-methylpropanamide
+COCCN1CCc2cccc(c2C1)N	4XD	2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
+C1CCN(CC1)C(=O)CN2CC[NH2+]CC2	4XE	4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium
+C[C@@H](C(=O)Nc1cccc(n1)N)[NH3+]	4XF	(2s)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium
+CN(C)CCCN1CCc2cccc(c2C1)N	4XG	2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+c1cc2c(cccn2)c(c1)Br	4XH	5-bromoquinoline
+COCC(COC)N1CCc2cccc(c2C1)N	4XJ	2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine
+c1cc2c(c(c1)N)CCN(C2)CCCOC3CCOCC3	4XK	2-[3-(tetrahydro-2h-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
+c1cc2c(c(c1)N)CN(CC2)CCCN3CCOCC3	4XL	2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+c1cc2c(c(c1)N)CN(CC2)CCCOC3CCOCC3	4XM	2-[3-(tetrahydro-2h-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+Cn1c2ccc(cc2cn1)c3ccc(cc3)C4=NC5(CC5)C(=O)N4C[C@@H]6CCN(C6)C(=O)C7CC7	4XN	6-{[(3r)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1h-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
+Cc1cc2cc(cn2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N	4XO	6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile
+Cn1cc(nn1)CCCc2cn(nn2)C	4XP	4,4'-propane-1,3-diylbis(1-methyl-1h-1,2,3-triazole)
+CCCn1cc(nn1)CCCCCc2cn(nn2)CCC	4XQ	4,4'-pentane-1,5-diylbis(1-propyl-1h-1,2,3-triazole)
+C1C=C(O[C@@H]([C@@H]1N)O)CN	4XR	(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-ol
+Cc1c(nc(nc1Cl)C2CC2)Cl	4XS	4,6-dichloro-2-cyclopropyl-5-methylpyrimidine
+Cc1c(nc(nc1Cl)OCCCc2ccc3ccccc3n2)NCc4c(nc(s4)C)C	4XU	6-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine
+Cc1c(nc(nc1Cl)C2CC2)N	4XV	6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
+C[C@H]1CC=CC([C@H]1CC[C@H](C)CCC[C@@H](C)CC(=O)O)(C)C	4XW	(5s,6s,9r,13r)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid
+CC1=C(C(=O)CO1)O	4XX	4-hydroxy-5-methylfuran-3(2h)-one
+CCCNc1c(c(nc(n1)C2CC2)Cl)C	4XY	6-chloro-2-cyclopropyl-5-methyl-n-propylpyrimidin-4-amine
+COc1ccc(cc1OC)C(=O)Nc2cc([nH]n2)c3ccccc3	4Y0	3,4-dimethoxy-n-(5-phenyl-1h-pyrazol-3-yl)benzamide
+Cc1c(nc(nc1Cl)OCCc2ccccn2)NCc3c(nc(s3)C)C	4Y1	6-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine
+Cc1c(nc(nc1Cl)C2CC2)NCc3c(nc(s3)C)C	4Y2	6-chloro-2-cyclopropyl-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine
+C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F	4Y3	[[(2s,5r)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CCCNC[C@H](COc1ccccc1C(=O)CCc2ccccc2)O	4Y4	1-[2-[(2r)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one
+c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)c4ccc(cc4F)C(=O)O)F)C(F)(F)F	4Y5	4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1h-indazol-3-yl}-3-fluorobenzoic acid
+C[C@@]1(CCC(=CC1)c2c3c(cccc3F)n(n2)C(=O)c4c(cccc4Cl)C(F)(F)F)C(=O)O	4Y6	(1s)-4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1h-indazol-3-yl}-1-methylcyclohex-3-ene-1-carboxylic acid
+c1cc(c(c(c1)Cl)C(=O)n2c3cccnc3c(n2)c4cc(c(cc4F)C(=O)O)O)C(F)(F)F	4Y7	4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1h-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid
+CC(=O)CO	4Y8	1-hydroxypropan-2-one
+CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O	4YA	hexyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside
+c1ccc(c(c1)C(=O)CCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(=O)O	4YB	5'-o-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine
+C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CC(c3c2cc(cc3)Cl)(C)C	4YC	(2r)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1h-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium
+C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCCC2	4YD	(2r)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium
+C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cccc3	4YE	(2r)-4-[2-(2,3-dihydro-1h-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium
+C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cc(nc3)Cl	4YF	(2r)-4-[2-(6-chloro-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium
+CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C2(C)C)NS(=O)(=O)C	4YG	(1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[n-(methanesulfonyl)-l-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+CC(C)[C@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC	4YH	(2s)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
+COc1cc(ccc1NC(=O)c2ccccc2Cl)/N=N/c3ccccn3	4YI	2-chloranyl-~{n}-[2-methoxy-4-[(~{e})-pyridin-2-yldiazenyl]phenyl]benzamide
+COc1ccc-2c(c1)NC(=O)c3c2c4ccccc4s3	4YK	3-methoxy[1]benzothieno[2,3-c]quinolin-6(5h)-one
+C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cl)(C)C	4YL	(2r,5r)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium
+CCOC(=O)c1cnc2c(c1[N@]3CCO[C@@H](C3)CN)c(n[nH]2)c4cccc(c4)C#N	4YM	ethyl 4-[(2r)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxylate
+C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cc4ccccc4)(C)C	4YN	(2r,5r)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium
+c1cc2c(cc1Br)NCC(=O)N2	4YO	6-bromo-3,4-dihydroquinoxalin-2(1h)-one
+CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CCC=C(C)C	4YP	2-amino-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
+C1CC1c2c(sc(n2)OCCO)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O	4YQ	4-cyclopropyl-2-(2-hydroxyethyloxy)-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide
+c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N[C@@H]4CCN(C4)CC5CC5)F	4YR	n-[(3r)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-[(2,4-dioxo-3,4-dihydroquinazolin-1(2h)-yl)methyl]-2-fluorobenzamide
+c1ccc2c(c1)C=CNC2=O	4YS	isoquinolin-1(2h)-one
+CCc1nnc2n1c3cc(ccc3c(c2)C)OC	4YT	1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline
+Cc1c(c2cc(ccc2n1C)OC)C(=O)NCC=CC(=O)OC	4YU	methyl (2e)-4-{[(5-methoxy-1,2-dimethyl-1h-indol-3-yl)carbonyl]amino}but-2-enoate
+COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)ncn4C5CCCC5	4YV	1-cyclopentyl-n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1h-imidazo[4,5-c]pyridin-6-amine
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)S(=O)(=O)C	4YW	2-methyl-n-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)(CCN)OC	4YX	n-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O	4YY	n-[(1-fluorocyclopropyl)carbonyl]-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+c1cc(ccc1SCCC(=O)O)Cl	4YZ	3-[(4-chlorophenyl)sulfanyl]propanoic acid
+c1cc(sc1)C(=O)OC=CC(=O)C(=O)O	4Z0	(3e)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid
+c1cc(c(cc1Cl)Cl)NNC(=O)C(=O)O	4Z1	[2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid
+c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3ccnc(c3)NC4CCC4)O	4Z2	2-(cyclobutylamino)-n-[(2s)-3-(3,4-dihydroisoquinolin-2(1h)-yl)-2-hydroxypropyl]pyridine-4-carboxamide
+c1ccc(c(c1)NC(=O)C=NO)Br	4Z3	(2e)-n-(2-bromophenyl)-2-(hydroxyimino)acetamide
+c1c(c(cc(c1F)Cl)Cl)C(=O)O	4Z4	2,4-dichloro-5-fluorobenzoic acid
+Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	4Z5	1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)C(=O)N	4Z8	2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)O	4Z9	(2r)-2-hydroxy-3-(1h-indol-3-yl)propanoic acid
+c1csc2c1cc([nH]2)C(=O)O	4ZA	6h-thieno[2,3-b]pyrrole-5-carboxylic acid
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@](C4)(C)C(=O)N	4ZB	(3r)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide
+c1cc(c(cc1Cl)C#N)O	4ZC	5-chloro-2-hydroxybenzonitrile
+c1ccc(cc1)SC=CC(=O)O	4ZD	(2e)-3-(phenylsulfanyl)prop-2-enoic acid
+Cc1cc(ccc1O)N	4ZE	4-amino-2-methylphenol
+c1ccc2c(c1)/C(=C\3/C=C(NN3)C(=O)O)/C=N2	4ZF	(5e)-5-(3h-indol-3-ylidene)-2,5-dihydro-1h-pyrazole-3-carboxylic acid
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)S(=O)(=O)C	4ZG	n~2~-[2-methyl-2-(methylsulfonyl)propyl]-n~4~-[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)OCC(C)(C)S(=O)(=O)C	4ZH	2-methyl-n-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC	4ZJ	n-[2-[(3r,4s)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
+c1c(cc(c(c1c2cc(cnc2)O)Cl)Cl)C[C@@H](C(=O)O)N	4ZK	3,4-dichloro-5-(5-hydroxypyridin-3-yl)-l-phenylalanine
+CCOC(=O)CNC(=O)NCc1ccccc1	4ZL	ethyl n-(benzylcarbamoyl)glycinate
+CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2	4ZM	ethyl n-{[3-(pyridin-4-yl)benzyl]carbamoyl}glycinate
+CC(C)C[C@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O	4ZN	(2s)-2-{[(r)-[(r)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid
+CCOC(=O)CNC(=O)NCc1ccc(cc1)NC(=O)C	4ZO	ethyl n-{[4-(acetylamino)benzyl]carbamoyl}glycinate
+CCOC(=O)CNC(=O)NCc1cccc(c1)c2cccnc2	4ZP	ethyl n-{[3-(pyridin-3-yl)benzyl]carbamoyl}glycinate
+C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC)O	4ZQ	(1r)-1-{6-({2-[(3r,4s)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2s)-1,1,1-trifluoropropan-2-yl]-1h-imidazo[4,5-c]pyridin-2-yl}ethanol
+C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@H]([C@H](C4)F)OC)O	4ZR	(1r)-1-{6-({2-[(3s,4r)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2s)-1,1,1-trifluoropropan-2-yl]-1h-imidazo[4,5-c]pyridin-2-yl}ethanol
+Cc1cn2c(cc1CN(C)C)nc(c2c3ccnc(n3)NCC4CC4)c5ccc(c(c5)NS(=O)(=O)C)F	4ZS	n-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide
+CCOC(=O)[C@H](CCSC)NC(=O)NCc1ccc(cc1)N	4ZT	ethyl n-[(4-aminobenzyl)carbamoyl]-l-methioninate
+c1cc(cc2c1cc([nH]2)C(=O)O)Br	4ZU	6-bromanyl-1h-indole-2-carboxylic acid
+c1cc2c(cc[nH]2)cc1C(=O)O	4ZV	1h-indole-5-carboxylic acid
+c1cc2c(cc1C(=O)NC3CCNCC3)CC(=O)N2	4ZW	2-oxidanylidene-n-piperidin-4-yl-1,3-dihydroindole-5-carboxamide
+c1ccc(cc1)CNC2CCN(CC2)S(=O)(=O)N3[C@@H]4CC[C@H]3CC(C4)NC(=O)c5cc6c(cc5Cl)NC(=O)C6	4ZX	6-chloranyl-2-oxidanylidene-n-[(1s,5r)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide
+c1cc(ccc1CN)N	4ZY	4-(aminomethyl)aniline
+CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2N	4ZZ	ethyl n-{[3-(3-aminopyridin-4-yl)benzyl]carbamoyl}glycinate
+CCCCNc1cc(nc2n1nc(n2)Nc3cc(ccc3C)Cl)C	501	n7-butyl-n2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
+CCOC(=O)CNC(=O)NCc1ccnc(c1)N	502	ethyl n-{[(2-aminopyridin-4-yl)methyl]carbamoyl}glycinate
+COc1c(c2cc(ccc2[nH]1)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)c4ccccc4	503	[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{h}-indole-3-carboxylate
+c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5	504	2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-n-[4-(1h-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
+Cc1cccc(c1OC[C@@H](C)N)C	505	(2r)-1-(2,6-dimethylphenoxy)propan-2-amine
+c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N	506	(2e)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile
+CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NC4CCOCC4	507	1-{3-[6-(tetrahydro-2h-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone
+c1ccc(cc1)[C@@H]2CCN([C@@H](C2)c3ccccc3)C(=O)[C@@H]4CNC[C@]45CCCc6c5cccc6	508	(1r,4's)-3,4-dihydro-2h-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2s,4r)-2,4-diphenylpiperidin-1-yl]methanone
+c1ccc(cc1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br	509	4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-carboxylic acid
+C([C@@H]1[C@H]([C@H]([C@H](O1)O)F)O)OP(=O)(O)O	50A	2-deoxy-2-fluoro-5-o-phosphono-alpha-d-ribofuranose
+COc1ccc2c(c1OC)c[n+]3c(c2CCCC(c4ccccc4)c5ccccc5)-c6cc7c(cc6CC3)OCO7	50B	13-diphenylalkyl berberine
+Cc1c(n[nH]c1N)c2ccc(cc2)F	50C	3-(4-fluorophenyl)-4-methyl-1h-pyrazol-5-amine
+c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5	50D	2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile
+CC(C)n1c(cc(n1)Nc2cc(ccn2)C(F)(F)F)C3CCNCC3	50E	n-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
+c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	50F	2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile
+c1c(nnn1[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)CO)COCC(COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)(COCc5cn(nn5)[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)N	50G	dendron-d1
+COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)N	50H	3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzamide
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N4CCCCCC4)N	50I	3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-ncarbamimidoyl-pyrazine-2-carboxamide
+CNC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(c(c5)OC)OC	50J	3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}-n-[4-(methylcarbamoyl)phenyl]benzamide
+[H]/N=C(/c1ccc2c(c1)cc([nH]2)c3cccc(n3)C4(CCCCC4)O)\N	50K	2-[6-(1-hydroxycyclohexyl)pyridin-2-yl]-1h-indole-5-carboximidamide
+C1=C[N]2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=NC2=O)N	50L	[(2r,3s,4r,5r)-5-(4-azanyl-2-oxidanylidene-1$l^{4},3,5,7-tetrazabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H]1CN2c3ccc(cc3C[C@]4([C@H]2[C@@H](O1)C)C(=O)NC(=O)N=C4O)[N+](=O)[O-]	50M	(2r,4s,4as,5r)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'h)-dione
+c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	50N	(1s)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-o-phosphono-d-ribitol
+CNc1c2c(c3cc(n(c3n1)C[C@@H](CO)O)C(=O)N(C4CC4)C5CC5)n(cn2)C	50O	n,n-dicyclopropyl-6-[(2s)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
+CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3ccccc3	50P	7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl	50Q	5-(3,4-dichloro-phenoxy)-benzene-1,3-diol
+CNC(=O)c1cc2c(cncc2s1)Oc3ccc(cc3)I	50R	4-(4-iodophenoxy)-n-methylthieno[2,3-c]pyridine-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N	50T	adenosine-5'-phosphovanadate
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3)\N	50U	(s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide
+CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6	50V	n,n-dicyclopropyl-4-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
+CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6	50W	n,n-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
+c1ccc2c(c1)nc(n2Cc3ccc(s3)CNC(=O)[C@@H]([C@H](C(=O)N4CCC[C@@H]4c5cccc(c5)Cl)O)O)C(F)(F)F	50X	(2r,3r)-4-[(2r)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-n-[(5-{[2-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide
+CCn1c(cc2c1nc(c3c2n(cn3)C)NCCCOC)C(=O)N(C4CC4)C5CC5	50Y	n,n-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
+C=CCNc1nc(c(s1)C(=O)c2ccccn2)N	50Z	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone
+COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)OS(=O)(=O)N	510	methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox  ylate
+COc1ccc2c(c1)c(cn2C(=O)c3ccc(cc3)Cl)CC(=O)O	511	[1-(4-chlorobenzoyl)-5-methoxy-1h-indol-3-yl]acetic acid
+c1c(c(c(s1)C(=O)O)OCC(=O)O)Br	512	4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
+c1cc2c(cc1Br)c(cs2)CN	513	1-(5-bromo-1-benzothiophen-3-yl)methanamine
+CC(=O)[N+]1=CC\2=C(C1)N=N/C2=N/C(=O)c3ccccc3	514	(3z)-5-acetyl-3-(benzoylimino)-3,6-dihydropyrrolo[3,4-c]pyrazol-5-ium
+CC(=O)N[C@@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)C(=O)NCCCCCOc4cc5ccccc5cc4C(=O)O	515	3-({5-[(n-acetyl-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-1-naphthyl}-l-alanyl)amino]pentyl}oxy)-2-naphthoic acid
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc(cs3)c4cccc5c4cccc5)NC	516	n-{(1s)-1-cyclohexyl-2-[(2s)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-n~2~-methyl-l-alaninamide
+CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)NC(=O)N	517	1-{2-oxo-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-5-yl}urea
+CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)NC(=O)c4cc5ccccc5o4	518	n-[4-(5-{[(1s)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
+CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C(C)C	519	1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea
+c1ccc(cc1)C(=O)Nc2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F	51A	n-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide
+CNc1ncc(cn1)CN2CCC[C@@H](C2)C3=NC(=O)C=C(N3)c4cccs4	51B	2-[(3s)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4(1h)-one
+CCCCCCCO[C@H]1CO[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO	51C	(6r)-1,6-anhydro-2-o-heptyl-6-(hydroxymethyl)-d-galactitol
+c1cnn(c1)c2cc(ncn2)c3cc(cc(c3F)Cl)C#N	51D	3-chloro-4-fluoro-5-[6-(1h-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile
+c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N	51E	3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile
+Cc1nccn1CCO	51F	2-(2-methyl-1h-imidazol-1-yl)ethanol
+C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC	51G	gentamicin c1
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O[C@H]5[C@@H](C[C@@H]([C@H]([C@@H]5O)O[C@@H]6[C@@H](C[C@@H]([C@H](O6)CN)O)N)N)N)CO)O)N)O)O)N	51H	adenylyl-2"-tobramycin
+CC#CCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N	51J	2-(but-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)CCc3nnco3	51K	2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole
+Cc1cc(c(c(c1C)S(=O)(=O)Nc2ccc(c3c2cccc3)N4CC[C@@H](C4)C(=O)O)C)C	51M	(3s)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)OP(=O)(O)O	51N	5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-1-o-phosphono-alpha-d-ribofuranose
+Cn1c2c([n+](c1[Au+]c3n(c4c([n+]3C)N(C(=O)N(C4=O)C)C)C)C)N(C(=O)N(C2=O)C)C	51O	au(caffein-2-ylidene)2
+C/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	51P	5-[(1z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+C[C@@H](C(=O)O)SC1=NN=C(NC1=O)O	51Q	(2s)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid
+c1cc(cc(c1)N)C(F)(F)F	51R	3-(trifluoromethyl)aniline
+Cc1ccc(c(c1)C)N	51S	2,4-dimethylaniline
+c1c(c(c(c(c1F)C[C@@H](C(=O)O)N)F)F)O	51T	2,3,6-trifluoro-l-tyrosine
+Cc1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	51U	d-phenylalanyl-n-(3-methylbenzyl)-l-prolinamide
+Cc1ccccc1N	51V	2-methylaniline
+c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCN)I	51W	n-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide
+c1ccc2c(c1)C(=O)N(C2=O)CC(=O)O	51X	(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetic acid
+Cc1c(ccc(c1Cl)C#N)N[C@@H]2CCC[C@@]2(C)O	51Y	2-chloro-4-{[(1r,2r)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile
+c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)C(=O)c3ccc(cc3)N	520	4'-(4-aminobenzoyl)biphenyl-4-sulfonamide
+c1ccc(cc1)c2c(c(cs2)N3CC(=O)NS3(=O)=O)Cl	521	5-(4-chloro-5-phenyl-3-thienyl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)[C@H](C)OO)C)CCC(=O)O)C	522	peroxidized heme
+CC1=C(NC(=O)[N+](=C1)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N	523	2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate)
+CN(C)C(=O)[C@@H](C1CCC(CC1)c2cccc3n2ncn3)[C@@H](C(=O)N4CC[C@@H](C4)F)N	524	(2s,3s)-3-amino-4-[(3s)-3-fluoropyrrolidin-1-yl]-n,n-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-5-ylcycloh exyl)butanamide
+CC(C)(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F	525	(3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4r)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+CC(C)(C)[C@@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F	526	(3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4s)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)C(=O)O)OCC(=O)O)Br	527	5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
+CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	528	(2s)-2-[3-(aminomethyl)phenyl]-3-{(r)-hydroxy[(1r)-2-methyl-1-{[(3-phenylpropyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid
+C[C@@H](c1ccc(cc1)N2CCNC2=O)C(=O)/N=C/3\C=C(N=N3)C4CC4	529	(2s)-n-[(3z)-5-cyclopropyl-3h-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
+C1[C@@H](NC[C@]1(C(=O)O)N)C(=O)O	52A	(2r,4r)-4-aminopyrrolidine-2,4-dicarboxylic acid
+c1c(cc(c2c1C=C([C@H](O2)C(F)(F)F)C(=O)O)Cl)Cl	52B	(2s)-6,8-dichloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid
+c1ccc(c(c1)c2[nH]nnn2)Cl	52C	5-(2-chlorophenyl)-1h-tetrazole
+c1cc(ccc1C(=O)c2ccncc2)OCCN3CCCC3	52D	pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
+CN([C@@H](C[C@H](CO)O)COC(=O)Nc1cc2ccccc2cn1)C(=O)NCc3cccc(c3Cl)F	52E	4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-o-(isoquinolin-3-ylcarbamoyl)-d-erythro-pentitol
+c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O	52F	3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid
+[H]/N=C(\CCNC(=O)c1csc(n1)[C@H]2CSC(=N2)CCNC(=O)[C@H](C(C)(C)O)NC(=O)[C@@H](C)[C@@H]([C@@H](CCO)NC(=O)[C@H]([C@H](c3c[nH]cn3)O[C@H]4[C@H]([C@H]([C@@H]([C@@H](O4)C)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)OC(=O)N)O)NC(=O)c6c(c(nc(n6)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O)/N	52G	zorbamycin
+CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	52H	5'-o-{[(2r)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine
+CC(C)C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	52I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-(2-methylpropyl)phthalazin-2(1h)-yl]prop-2 -en-1-one
+CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	52J	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylpropyl)phthalazin-2(1h)-yl]prop-2-en-1-one
+C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Cl	52K	n-{3-[(3r)-5-amino-3-methyl-3,6-dihydro-2h-1,4-oxazin-3-yl]phenyl}-5-chloropyridine-2-carboxamide
+C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)/C(=N\O)/C(=O)O	52L	dahp oxime
+c1cc(c(cc1NC(=O)S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O	52M	2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H]([C@H]([C@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC	52N	1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate
+CC(C)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	52O	pivalyl-coenzyme a
+c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl	52P	5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6h-pyrimido[1,6-b]pyridazin-6-one
+c1[nH]nc(n1)S[C@@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N	52Q	(1r,2s,4r,5r,6r)-2-amino-4-(1h-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
+Cn1ccc(n1)N(C)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F	52R	n5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-n8-methyl-n8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine
+CC(C)NC(=O)O[C@@H]1CC[C@@](c2c1nnn2Cc3ccc(cc3)OC)(C)O	52T	(4r,7r)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	52U	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+Cc1cccc(c1c2cc(cc(c2)OC)[C@H](C)C#Cc3c(nc(nc3N)N)C)C	52V	5-[(3s)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC	52W	(3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CC(=O)NCCc1c2cc(ccc2[nH]c1I)NC(=O)OC	52X	methyl {3-[2-(acetylamino)ethyl]-2-iodo-1h-indol-5-yl}carbamate
+COc1ccc(cc1)c2ccc(c(c2)F)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC	52Y	methyl (2z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC	52Z	(3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
+c1cc(c(cc1F)F)Oc2ncc3c(n2)[nH]nc3NC4CCOCC4	530	6-(2,4-difluorophenoxy)-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-amine
+CC(=O)[C@H]1CCCN(C1)Cc2ccccc2	531	1-[(3s)-1-benzylpiperidin-3-yl]ethanone
+CN1C(=O)[C@](N=C1N)(c2cccc(c2)c3cccnc3)c4ccsc4	532	(5s)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4h-imidazol-4-one
+C[C@H](Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C	533	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1r)-1-methyl-2-(2h-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+CC(C)c1ccc(cc1)c2c(nccn2)N3CCN(CC3)S(=O)(=O)c4cccc(c4)c5cnc(nc5)N	534	5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine
+CCOC(=O)c1c(n2ccnc2s1)C	535	ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate
+c1ccc(cc1)CN2CCCC(=C2)C(=O)N	536	1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide
+c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O	537	2,6-dihydroanthra/1,9-cd/pyrazol-6-one
+CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4)c5ccccc5C(=O)O)C)C	538	4'-[(2,3-dimethyl-5-{[(1s)-1-phenylpropyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid
+c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCCC4)Cl)Cl	539	6,7-dichloro-n-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine
+CCOC(=O)C1=C2N=C(c3ccccc3N2NN1)S[C@H](C(=O)C)C(=O)OCC	53A	ethyl 5-{[(1r)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
+c1cc(nc(c1)O)C(=O)O	53B	6-hydroxypyridine-2-carboxylic acid
+CC(=O)c1cccc(c1)O	53C	1-(3-hydroxyphenyl)ethanone
+CCN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3C4CC4)C(=O)NCCCN(C)C	53D	1-cyclopropyl-n-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide
+c1cc(c2c(c1)OCCO2)C(=O)O	53E	2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)N	53F	(3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate
+CN(C)C(=O)c1ccc2c(c1)nccn2	53G	n,n-dimethylquinoxaline-6-carboxamide
+CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	53H	5'-o-[(3-methyl-d-valyl)sulfamoyl]adenosine
+CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C	53I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-y l]prop-2-en-1-one
+CC(=C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C	53J	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-y l]prop-2-en-1-one
+Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4	53K	2-(2-methylphenoxy)-5-[(4-phenyl-1h-1,2,3-triazol-1-yl)methyl]phenol
+C[C@@H]1CN2c3ccc(cc3C[C@@]4([C@H]2[C@@H](O1)C)C(=O)NC(=O)N=C4O)N(=O)=O	53L	(2r,4s,4as,5s)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'h)-dione
+C[C@@H]1CN2c3ccc(cc3CC4([C@H]2[C@@H](O1)C)C(=NC(=O)N=C4O)O)[N+](=O)[O-]	53M	(2r,4s,4as)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one
+c1cc(cc(c1)[N+](=O)[O-])c2ccc(s2)CCC(=O)O	53N	3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid
+c1ccc(cc1)c2cccc(c2)n3ccnc3	53O	1-(biphenyl-3-yl)-1h-imidazole
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F	53P	(10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo(4,3-h)(2,5,11)benzoxadiazacyclotetradecine-3-carbonitrile
+CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3	53Q	clomifene
+Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccccc3	53R	5-[(3r)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+Cc1ccc(cc1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C	53S	5-[(3r)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+Cc1cc(cc(c1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C	53T	5-[(3r)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccc3)N	53U	d-phenylalanyl-n-benzyl-l-prolinamide
+Cc1cccc(c1c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C	53V	5-[(3r)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccc(cc5)OC	53W	5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1h-benzimidazole
+CCn1cc(c2c1cccc2)c3cc(n(n3)C)C(=O)O	53X	3-(1-ethyl-1h-indol-3-yl)-1-methyl-1h-pyrazole-5-carboxylic acid
+c1ccc-2c(c1)NC(=O)c3n2ccc3	53Y	pyrrolo[1,2-a]quinoxalin-4(5h)-one
+c1cc(ccc1CNC(=O)NCC(=O)N2CCCC2)N	53Z	1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea
+Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)OC)F)C	540	8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline
+Cc1cc(c2ccccc2n1)COc3ccc(cc3)[C@@]4(CCN(C4=O)[C@H](C)C(=O)NO)C	541	(2r)-n-hydroxy-2-[(3s)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	542	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+CC[O@@H][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]	543	calcium ion, 6 waters plus ethanol coordinated
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)N/C(=C\C(=O)c4ccccc4)/C	544	2-(1-methyl-3-oxo-3-phenyl-propylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
+CCCCOC(=O)[C@H]([C@H]1[C@@H]([C@@]([C@H](C[N@@]1O)O)(CO)O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N	545	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid butyl ester
+Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C	546	2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine
+c1ccc(cc1)c2c3c(ccnc3oc2c4ccccc4)NCCN5CCNCC5	547	2,3-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
+Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)Cl)C(F)(F)F)C	548	6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline
+CC(C)n1cnc2c1ccc(c2)C(=O)O	549	1-(propan-2-yl)-1h-benzimidazole-5-carboxylic acid
+CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2N3[C@@H]4CC[C@H]3CN(C4)C)C5=NNC(=O)O5)c6nc(cs6)C(F)(F)F	54B	1-ethyl-3-[5-[2-[(1s,5r)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3h-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea
+CC(C)([C@@H]1CO1)n2cc(c3c2cccc3)[C@H]([C@@H](C(=O)O)N)O	54C	(betar)-beta-hydroxy-1-{2-[(2r)-oxiran-2-yl]propan-2-yl}-l-tryptophan
+COC(=O)c1cccs1	54D	methyl thiophene-2-carboxylate
+c1ccc(cc1)c2ccc(cc2Cl)CN	54E	1-(2-chlorobiphenyl-4-yl)methanamine
+c1ccnc(c1)Oc2cccc(c2)N	54F	3-(pyridin-2-yloxy)aniline
+Cc1ccc(c(c1)C(=O)O)O	54G	2-hydroxy-5-methylbenzoic acid
+CC(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	54H	5'-o-(d-valylsulfamoyl)adenosine
+C(/C=N/O)C(=O)O	54I	(3e)-3-(hydroxyimino)propanoic acid
+CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)CC)c5cncnc5)F	54J	n-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1h-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide
+Cc1cnc(c2c1nc[nH]2)N	54K	7-methyl-3h-imidazo[4,5-c]pyridin-4-amine
+C#CCCC(=O)O	54L	pent-4-ynoic acid
+COc1ccc(cc1)[C@]2(CCC(=N2)N)c3cccc(c3)c4cncnc4	54M	(5r)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine
+Cc1c(ccc(n1)CN(C)C)c2cnc(c3c2C(=O)NN=C3)NCc4c(ccc5c4CCO5)F	54N	8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2h-pyrido[3,4-d]pyridazin-1-one
+C(CO)CS(=O)(=O)O	54O	3-hydroxypropane-1-sulfonic acid
+c1ccc(cc1)c2ccc(cc2Cl)CNCCCO	54P	3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol
+C[C@@H]1CN2c3ccc(cc3CC4([C@H]2[C@@H](O1)C)C(=O)NC(=O)NC4=O)[N+](=O)[O-]	54Q	(2r,4s,4as)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'h,3'h)-trione
+CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2	54R	n-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide
+c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCC(=O)Nc3cccc(c3)C(=O)O	54S	n-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-n-(3-carboxyphenyl)-beta-alaninamide
+c1cc2c(cc1Cl)sc(n2)N	54T	6-chloro-1,3-benzothiazol-2-amine
+CC(=O)N1CCN(CC1)c2ccc(cc2)O	54U	1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)OC	54V	methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
+CC(=O)NCCc1ccccc1	54W	n-(2-phenylethyl)acetamide
+c1cc(sc1)c2csc3c2C(=O)N=CN3	54X	5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1h)-one
+CNC(=O)c1cnn(c1Cl)C	54Y	5-chloro-n,1-dimethyl-1h-pyrazole-4-carboxamide
+c1cc(c(cc1CN)Cl)OC(F)(F)F	54Z	1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine
+Cc1cc(c2ccccc2n1)COc3ccc(cc3)C[C@@]4(C[C@@H]4C(=O)NO)C(=O)OC	550	methyl (1r,2s)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
+COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2	551	methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate
+c1cc(ccc1COC2=NC(=C3C=C[C@H](N3C2=O)C(=O)N4CCCC4)Cl)F	552	(6s)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6h)-one
+c1cnc(nc1c2cc3c([nH]2)[C@H](CNC3=O)CCF)N	553	(7s)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1ccc2c(c1)c(ccc2c3ccc(cc3)O)\C=N\O	555	4-(4-hydroxyphenyl)-1-naphthaldehyde oxime
+c1cc(sc1)c2cnc3n2CCC3	556	3-(thiophen-2-yl)-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole
+C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)n2cc(c(n2)C(F)(F)F)CO	557	n-[(2s)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}propyl]propane-2-sulfonamide
+Cc1nnc2n1-c3ccc(cc3N(C[C@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N	558	5-[(4r)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine
+Cc1nnc2n1-c3ccc(cc3N(C[C@@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N	559	5-[(4s)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3	55A	n~2~-acetyl-n-[(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-l-leucinamide
+COc1cc(cc(c1O)OC)/C=C/CO	55B	4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol
+C/C(=C\C(=O)Nc1ccccc1C(=O)O)/c2ccc3ccccc3c2	55C	2-{[(2e)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid
+CCCC(=O)Nc1c(ccs1)C(=O)N	55D	2-(butanoylamino)thiophene-3-carboxamide
+Cc1cc(ccc1O)C2=NC(=O)N=C(C2)c3ccccc3	55E	4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5h)-one
+Cc1c(ccc(n1)c2c([nH]c(n2)NC(=O)C)c3ccc4c(c3)nccn4)F	55F	n-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1h-imidazol-2-yl]acetamide
+c1ccc(cc1)C2=CC(=O)Nc3c2c([nH]n3)c4cnc(s4)c5cccnc5	55G	4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
+c1cc(cnc1)c2ncc(s2)c3c4c(n[nH]3)NC(=O)C=C4	55H	3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
+c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)F	55I	4-(trifluoromethyl)-l-phenylalanine
+Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F	55J	1-methyl-5-({2-[5-(trifluoromethyl)-1h-imidazol-2-yl]pyridin-4-yl}oxy)-n-[4-(trifluoromethyl)phenyl]-1h-benzimidazol-2-amine
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4(CCCC4)C(=O)O	55K	1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	55L	(r)-4-(((s)-1-(((s)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate
+C[C@H]([C@@H]1CC(=O)NC1)Oc2c3c(cc(n2)c4ccc(c(c4)OC)OC)ncs3	55M	(4r)-4-[(1r)-1-{[6-(3,4-dimethoxyphenyl)[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy}ethyl]pyrrolidin-2-one
+CC(C)[C@@H](C[C@H](C(=O)O)OC(=O)C)NC	55N	(2r,4r)-2-(acetyloxy)-5-methyl-4-(methylamino)hexanoic acid
+C[C@H](C[C@H](Cc1ccccc1)N)C(=O)O	55P	(2r,4r)-4-amino-2-methyl-5-phenylpentanoic acid
+CC[C@@H](C)[C@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@@H]3CCCCN3C	55Q	(2r,4r)-4-{[(2-{(1r,3r)-1-(acetyloxy)-4-methyl-3-[methyl(n-{[(2s)-1-methylpiperidin-2-yl]carbonyl}-d-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid
+c1ccc(c(c1)C(=O)O)NN=C2C=CC(=O)C=C2	55R	2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid
+CCS(=O)(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3	55S	6-(cyclohexylmethoxy)-n-[4-(ethylsulfonyl)phenyl]-9h-purin-2-amine
+CC(=O)Nc1cccc(c1)[C@@H](OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)P(=O)(O)O	55T	5'-o-[(r)-[(s)-[3-(acetylamino)phenyl](phosphono)methoxy](hydroxy)phosphoryl]cytidine
+CN(C)c1ccc(cc1)c2cc3c(cccn3)c(n2)NCCCN	55U	n-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine
+Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC	55V	6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine
+Cc1ccc(c(c1)C)[P@](=O)(Nc2c(cn(n2)c3ccc(cc3)c4cc5nc(cc(n5n4)N)C)C(=O)O)OC	55W	1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(r)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1h-pyrazole-4-carboxylic acid
+C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C	55X	s-{1-[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2s,6r)-6-[(8s,9s,10r,13r,14s,17r)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name)
+C[C@H]([C@H]1CNC(=O)O1)Oc2cc(cc3c2csn3)c4cnn(c4)C	55Y	(5r)-5-[(1r)-1-{[6-(1-methyl-1h-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one
+CC(C)(C)NC(=O)c1c(c2c(nc(nc2s1)SC)c3cccc(c3)NC(=O)CN4CCOCC4)N	55Z	5-azanyl-n-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
+c1ccc2c(c1)cccc2NC(=O)CCC[N@]3C[C@H](NN3)c4coc5c4cc(c(c5)O)C(=O)O	561	6-hydroxy-3-{(4r)-1-[4-(1-naphthylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofuran-5-carboxylic acid
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCOCCOCCN=[N+]=N	562	n~5~-[n-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-l-ornithine
+Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C	563	n-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide
+CC1(CCC(c2c1ccc(c2)C(=O)c3ccc4cc(ccc4c3)C(=O)O)(C)C)C	564	6-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalene-2-carbonyl)-naphtalene-2-carboxylic acid
+C[C@@H]1C(=O)NCCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N	565	(3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one
+c1ccc(cc1)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3	566	(3s)-1-cyclohexyl-5-oxo-n-phenylpyrrolidine-3-carboxamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)NS(=O)(=O)CC(=O)O)\N	567	2-[[(2r)-1-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid
+c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5C[C@H](OC5)CO	568	n,n-[2,5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol]
+CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)(F)F)c3ccc(c(c3)c4cncnc4)F	569	(5r)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4h-imidazol-4-one
+c1ccc(cc1)CCCCCCCCn2cncc2C[C@@H](C(=O)O)N	56A	3-(8-phenyloctyl)-l-histidine
+c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@H]4C=C[C@@H]([C@@H]4O)O	56B	2-amino-5-({[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-o-phosphono-beta-d-ribofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCOCCOCCOCCN=[N+]=N	56C	n~5~-{n-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-l-ornithine
+C[C@H](c1ccccc1)C(=O)C(=O)O	56D	(3r)-2-oxo-3-phenylbutanoic acid
+CCOC(=O)CNC(=O)c1cc(sc1)C	56E	ethyl n-[(5-methylthiophen-3-yl)carbonyl]glycinate
+CNS(=O)(=O)Cc1ccc(cc1)Cl	56F	1-(4-chlorophenyl)-n-methylmethanesulfonamide
+Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3cccc(c3)NC(=O)C=C)N4CCN(CC4)C	56G	n-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide
+CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3	56H	n-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide
+c1ccc2c(c1)-c3ccccc3C2CCC=O	56J	3-(9h-fluoren-9-yl)propanal
+Cc1nc(cs1)c2cccc(c2)N	56K	3-(2-methyl-1,3-thiazol-4-yl)aniline
+CC(C)C1C(=O)NC(=S)NC1=O	56L	5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
+CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c(c(c([nH]2)C)C(=O)C)C)O	56M	4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	56N	phenyl beta-d-galactopyranoside
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)NO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	56O	n-[(2r)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-l-alpha-glutamyl-l-alpha-glutamine
+Cc1cc(ccc1F)S(=O)(=O)N(CCCCCCN)[C@H](C)C(=O)NO	56P	n~2~-(6-aminohexyl)-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+Cc1cc(ccc1F)S(=O)(=O)N(C)[C@H](C)C(=O)NO	56Q	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-methyl-d-alaninamide
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)CN)[C@H](C)C(=O)NO	56R	n~2~-[3-(aminomethyl)benzyl]-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+CCCCCCCCCCCC(=O)OC(C)C	56S	propan-2-yl dodecanoate
+c1cc(oc1)CCN	56T	2-(furan-2-yl)ethanamine
+c1ccc2c(c1)[nH]c(n2)C(F)F	56U	2-(difluoromethyl)-1h-benzimidazole
+c1ccc2c(c1)nc3n2[C@@H](CS3)O	56V	(3r)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol
+CC(=O)N[C@H](CCP(=O)(C[C@H](CCC[C@H](C(=O)O)N)C(=O)O)O)C(=O)O	56W	(2r,6r)-2-{[(r)-[(3r)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid
+CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C	56Y	4-acetyl-n-(3-carbamoylbenzyl)-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide
+COc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	56Z	4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)Nc4ccccc4C(=O)c5ccccc5	570	2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
+CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)[C@@H](c5ccccc5)O	571	5-[(2r)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium 
+CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO	572	4-[2-(hydroxymethyl)pyrimidin-4-yl]-n,n-dimethylpiperazine-1-sulfonamide
+C[C@@H](CONC(=O)c1c(c2cncc(c2o1)F)Nc3ccc(cc3F)I)O	573	7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-n-{[(2s)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide
+B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)c5ccccc5[C@@H](CN)O	574	[(3as,4r,6r,6ar)-2-{2-[(1s)-2-amino-1-hydroxyethyl]phenyl}-6-(6-amino-9h-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphite
+c1cc(ccc1CN2CCCC2)N\C=C/3\c4cc(ccc4C(=O)NC3=O)Br	575	(4z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2h,4h)-dione
+c1ccc-2c(c1)Cc3c2ccc(c3)CC[C@@H](CC(=O)O)O	576	(3s)-5-(9h-fluoren-2-yl)-3-hydroxypentanoic acid
+CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4	577	4-[5-(4-fluoro-phenyl)-2-[4-methanesulfinyl-phenyl]-3h-imidazol-4-yl]-pyridine
+CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)O[C@@H](c2cccc(c2)CN)C(=O)O	578	(5r,6s,8s)-8-[3-(aminomethyl)phenyl]-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+CCc1c(c([nH]c1C(=O)Nc2ccc(c(c2)S(=O)(=O)N3CCOCC3)F)C)C(=O)C	579	4-acetyl-3-ethyl-n-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1h-pyrrole-2-carboxamide
+CCCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N3CCCCCC3)C)C(=O)C	57C	4-acetyl-n-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O	57D	chrysin
+CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C	57E	1-[(4-acetyl-3-ethyl-5-methyl-1h-pyrrol-2-yl)carbonyl]-n-methyl-1h-indole-6-sulfonamide
+CCc1c(c([nH]c1C(=O)Nc2cc(c(cc2O)C)S(=O)(=O)N(CC)CC)C)C(=O)C	57F	4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide
+CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)CO	57G	n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1h-pyrrole-2-carboxamide
+C=CCP(=O)(O)O	57H	prop-2-en-1-ylphosphonic acid
+Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CC(=O)c5cc(c(cc5O4)C)C	57J	6,7-dimethyl-1'-[(7-methyl-1h-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3h)-one
+Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CN(C4)C(=O)OC(C)(C)C	57K	tert-butyl 7-[(7-methyl-1h-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
+Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CCN([C@H]4C)C(=O)OCC(C)(C)C	57L	2,2-dimethylpropyl (1s)-1-methyl-8-[(7-methyl-1h-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
+CC(C)C[C@@H](C(=O)NCCCN[C@@H]([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)C(=O)O)NC(=O)[C@H]([C@@H]4CCN=C(N4)N)NC(=O)N[C@@H](C(C)C)C(=O)O	57M	muraymycin d2
+c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3Cc4ccccc4C3=O	57N	(2r)-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)-2-phenyl-n-(1,3-thiazol-2-yl)acetamide
+Cc1c(nc(c(c1O)C)O)CC(=O)O	57O	(4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid
+c1ccc(cc1)c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5	57P	3-(5-cyclopropyl-2,3-diphenyl-1h-indol-1-yl)propanoic acid
+c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O	57Q	3-(2-phenyl-1h-indol-1-yl)propanoic acid
+CC(C)NC(=O)O[C@H]1CC[C@@](c2c1nnn2Cc3ccc(cc3)OC)(C)O	57R	(4s,7r)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](COP(=O)(O)O)[C@H]([C@H](CO)O)O)CO)O)O	57S	4-o-[2-acetamido-2-deoxy-beta-d-glucopyranosyl]-5-o-phosphono-d-ribitol
+c1cc(ccc1/C=C(\C(=O)O)/SS/C(=C\c2ccc(cc2)I)/C(=O)O)I	57T	(2e,2'z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid]
+CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)CO	57U	1-ethyl-3-[4-(hydroxymethyl)-5-(1h-pyrrol-2-yl)-1,3-thiazol-2-yl]urea
+CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)/C=C/c3cccnc3	57V	1-ethyl-3-{4-[(e)-2-(pyridin-3-yl)ethenyl]-5-(1h-pyrrol-2-yl)-1,3-thiazol-2-yl}urea
+CCNC(=O)Nc1cn(c2c1ncc(c2)c3cccnc3)c4ccccn4	57W	1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1h-pyrrolo[3,2-b]pyridin-3-yl]urea
+CCCN1c2c(c(n[nH]2)c3cnc(s3)c4cccnc4)C=CC1=O	57X	7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
+CCCc1c(ccc2c1n[nH]c2c3cnc(s3)c4cc(c(nc4)C(=O)O)O)O	57Y	3-hydroxy-5-[5-(6-hydroxy-7-propyl-2h-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
+Cc1cc(c2c(c1)C=C(C(=O)N2)CN(CCO)C(=S)Nc3ccc(cc3)O)C	57Z	1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea
+Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc(cc4)F	580	3-(4-fluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole
+CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O	581	2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+CCN1c2ccccc2-c3c(c(n[nH]3)C)C1=O	582	5-ethyl-3-methyl-1,5-dihydro-4h-pyrazolo[4,3-c]quinolin-4-one
+c1cc(ccc1c2c[nH]nc2c3ccc(cc3)O)O	583	4,4'-(1h-pyrazole-3,4-diyl)diphenol
+C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C	584	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5h)-one
+CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C	585	6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one
+CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H](C[C@@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O)OC	586	n-[4-(1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanes ulfonyl-methyl-amino)-n'-(1-phenylethyl)-isophthalamide
+CC[C@@H]1C=C([C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6C)/C)O)C)OC)OC)C)O)C	587	c32-o-(1-methyl-indol-5-yl) 18-hydroxy-ascomycin
+CCCCCNC(=O)[C@H](Cc1ccc(c(c1)\C=C\C(=O)N)N(c2ccccc2C(=O)O)C(=O)C(=O)O)NS(=O)(=O)C	588	2-{[2-(2-carbamoyl-vinyl)-4-(2-methanesulfonylamino-2-pentylcarbamoyl-ethyl)-phenyl]-oxalyl-amino}-benzoic acid
+c1ccc2cc(ccc2c1)N3C(=NN(C3=O)C4CCOCC4)c5ccnc(c5)NC6CCCCC6	589	5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2h-pyran-4-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCC=CCCCCCCCC	58A	5'-o-[(r)-{[(s)-{(2r)-2,3-bis[(9e)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)N	58B	l-alanyl-d-alpha-glutamine
+c1cc2cnc(nc2c(c1)OC3CCC(CC3)O)Nc4ccc5c(c4)nc[nH]5	58C	cis-4-{[2-(1h-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol
+CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccc(cc3)OC	58D	(3s)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione
+C[C@H]1[C@@H]2CCc3c(n(nc3[C@]2(CC(=C1O)C#N)C)C)c4cccnc4	58E	(5as,6s,9as)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2h-benzo[g]indazole-8-carbonitrile
+CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)I	58F	p-iodo hoechst
+c1ccc(cc1)[C@H]2CC[C@H](C2)Nc3ccc(cn3)C(=O)N	58G	6-{[(1r,3s)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide
+COC(=O)C1=C(NC(=NC1c2ccc(cc2Cl)F)c3ccccn3)CN4CCC(CC4)C(C#C)(C#C)O	58H	methyl (4r)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate
+C(CC[NH3+])C[NH3+]	58I	4-azaniumylbutylazanium
+CN1/C(=C\c2ccc(cc2)OC)/C(=O)Nc3ccccc3C1=O	58J	4-methoxydehydrocyclopeptin
+CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3	58K	cyclopeptin
+c1ccc(cc1)C[C@H]2C(=O)Nc3ccccc3C(=O)N2	58L	demethylated cyclopeptin
+C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cnn(c3)C(C)(C)C	58N	(4r)-6-(1-tert-butyl-1h-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+COc1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N	58O	6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@@H](CO)O)C#N	58P	1-[(2s)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 h-indole-2-carbonitrile
+Cc1c2cc(n(c2cc(c1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)OC)Cc6c[nH]nc6)C#N	58Q	6-methoxy-4-methyl-1-(1h-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2CC(=O)N)C#N	58R	2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indol-1-yl}aceta mide
+CNc1c2c3nc(n1)OCCOCCOc4cccc(c4)CN3C(=O)N2	58T	13-(methylamino)-23,24,25-trioxa-17,18,19,21-tetrazatetracyclo-tricosa-1(3),2(10),4(11),12(14),13(18),16(19)-hexan-15-one
+C[C@@H](CC(=O)C(=O)O)C(=O)CC=O	58U	(4s)-4-methyl-2,5,7-trioxoheptanoic acid
+c1cc(c(cc1Nc2c3ncc(n3cc(n2)C4CC4)c5c[nH]nc5)Cl)C(=O)N6CCOCC6	58V	(2-chloro-4-{[6-cyclopropyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone
+c1ccc(cc1)C2(CCC2)C(=O)Nc3cc(c(cc3O)O)Cl	58W	n-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide
+CC(=CCC/C(=C/C(=O)O)/C)C	58X	(2e)-3,7-dimethylocta-2,6-dienoic acid
+C[C@@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O	58Y	(2r,3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methylhexahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+c1cc2c(cc[nH]2)cc1OCCN3CCC(CC3)C(=O)O	58Z	1-[2-(1h-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N	590	9-[2-azido-2-deoxy-5-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-d-arabinofuranosyl]-9h-purin-6-amine
+CCn1cc(cn1)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4	591	(5s)-2-amino-5-(1-ethyl-1h-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4h-imidazol-4-one
+Cc1c(cccc1OC)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5	592	n-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide
+CN1C(=O)[C@@](N=C1N)(c2ccccc2)C34CC5CC(C3)CC(C5)C4	593	(5s)-2-amino-3-methyl-5-phenyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4h-imidazol-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N	594	9-[2-deoxy-2-fluoro-5-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-d-arabinofuranosyl]-9h-purin-6-amine
+C[C@@H](CCC[C@@H](C=O)[N@@](CCC(C)C)S(=O)(=O)c1ccc(cc1)N)NC(=O)[C@H](C(c2ccccc2)c3ccccc3)NC(=O)OC	595	n-[(1s,5s)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c5ccccc5[nH]n4)/C2=O	596	(2z)-2-(1h-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2h)-one
+c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3ccc4c(c3)sc5c4sc(c5OCC(=O)O)C(=O)O	598	6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid
+c1cc(ccc1C#Cc2cc(ccc2Cl)c3c4c(n(n3)CCCN5CCOCC5)CCN(C4)C(=O)CO)Cl	599	2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol
+CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC	59A	n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucine
+c1ccc2c(c1)nc(c3n2nnn3)Nc4ccc(cc4)C(=O)N5CCOCC5	59B	morpholin-4-yl[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
+C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCC=C)C)C)OC)OC(=O)N)C)C)O)OC	59C	[(3r,5s,6r,7r,12e)-5,11-dimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
+C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5	59D	(7r)-1-(4-fluorobenzyl)-n-{3-[(1s)-1-hydroxyethyl]phenyl}-7-methyl-5-(1h-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine-3-carboxamide
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)OC)c4cccc5c4cc[nH]5)OC	59E	methyl [(4s)-6-(1h-indol-4-yl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H](C=O)[C@@H]3N[C@H]([C@H](CS3)C)C(=O)O	59F	(2r,4r,5r)-2-[(1r)-1-{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)scc5C(=O)O	59G	6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NC(=O)N3CCNC3=O)C(=O)O)C	59H	(2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-{[(2r)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@@H]([C@@H]3N=C([C@H](CS3)C)C(=O)O)C(=O)O	59J	(2r,5r)-2-[(r)-carboxy{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1nnc(s1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F	59K	4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
+Cc1cccc(c1Nc2cc(ccc2C(=O)O)[N+](=O)[O-])C(=O)O	59L	2-[(2-carboxy-5-nitrophenyl)amino]-3-methylbenzoic acid
+c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)CF)CC(F)(F)F	59M	4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
+CCNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cncc(n4)C)CC5CCC(CC5)N	59N	8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)F)CC(F)(F)F	59Q	4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
+c1cc(cc(c1)F)CCNCCO[C@H]2CNC[C@H]2Cc3cccc(n3)N	59R	6-{[(3r,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)/C=C/c2ccc(cc2)OC	59S	(2s)-2-[[(2s)-2-[[(e)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide
+Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC	59T	8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+CCN1c2c(cnc(n2)NCCC3CCN(CC3)C)C=C(C1=O)c4ccc(cc4Cl)c5cncc(n5)C	59U	6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)(F)F)CC(F)(F)F	59V	6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine
+c1cc(cc(c1)F)CCNCCO[C@@H]2CNC[C@@H]2Cc3cccc(n3)N	59W	6-{[(3s,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
+CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CCF)C	59X	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine
+c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O	59Y	8-(naphthalen-1-yl)quinoline-2-carboxylic acid
+c1ccc2c(c1)ccc3c2n(c(c3)C(=O)NCP(=O)(O)O)CC(=O)O	59Z	{2-[(phosphonomethyl)carbamoyl]-1h-benzo[g]indol-1-yl}acetic acid
+CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)F)C	5A0	6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
+CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)C(C(F)(F)F)(F)F)C	5A1	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine
+C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	5A2	3,5-di-methylenebisphosphonate inositol tetrakisphosphate
+C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	5A3	methylenebisphosphonate inositol pentakisphosphate
+C(CCc1nnc(o1)CC[C@@H](C(=O)O)N)CCN	5A6	(2s)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid
+CC(=O)Nc1cc2ccc(nc2c(c1)c3cccc4c3cccc4)/C=C/P(=O)(O)O	5A7	{(e)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid
+c1ccc2c(c1)c(c[nH]2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N	5A8	5'-azido-5'-deoxy-8-[(2-{[2-(1h-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
+c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N	5A9	5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O	5AA	n6-dimethyl-3'-amino-adenosine-5'-monophosphate
+[B-](CCCC[C@@](C)(C(=O)O)N)(O)(O)O	5AB	[(5s)-5-amino-5-carboxyhexyl](trihydroxy)borate
+c1[nH]c(c(n1)C(=O)N)N	5AC	5-amino-1h-imidazole-4-carboxamide
+C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	5AD	5'-deoxyadenosine
+C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N	5AE	4-amino-1-(beta-d-ribofuranosyl)-1,3,5-triazin-2(1h)-one
+CCC(CC)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(CC)CC)N	5AF	2,5-bis{[4-(3-pentyl)diaminomethyl]phenyl}furan
+C#Cc1cccc(c1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N	5AG	5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
+CC(C)(C)[C@@H](C(=O)N[N@](CC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)c5ccccn5)NC(=O)OC	5AH	methyl [(1s)-1-({2-[(3s)-3-benzyl-3-hydroxy-4-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-4-oxobutyl]-2-(4-pyridin-2-ylbenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate
+c1ccc2c(c1)[nH]c(n2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N	5AJ	5'-azido-8-[(2-{[2-(1h-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine
+c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N	5AK	8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
+C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	5AL	5'-o-[(r)-{[(2s)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine
+c1ccc(cc1)CCCC(=O)N2CCN(CC2)Cc3nc(no3)[C@H]([C@H](CCCCN)NC(=O)OCc4ccccc4)O	5AM	benzyl {(1s)-5-amino-1-[(s)-hydroxy(5-{[4-(4-phenylbutanoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)methyl]pentyl}carbamate
+c1c(cc(cc1F)F)N	5AN	3,5-difluoroaniline
+c1cc(cc(c1)N)c2cnco2	5AO	3-(1,3-oxazol-5-yl)aniline
+COc1cc(cc(c1)OC)c2nc(c(c(n2)N)CN)c3ccc(cc3Cl)Cl	5AP	5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine
+c1ccc(cc1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N	5AQ	8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine
+C(CCN)Cc1nnc(o1)CC[C@@H](C(=O)O)N	5AR	(2s)-2-amino-4-[5-(4-aminobutyl)-1,3,4-oxadiazol-2-yl]butanoic acid
+CCNS(=O)(=O)OC[C@@H]1[C@H]([C@H](C(O1)n2cnc3c2ncnc3N)O)O	5AS	5'-o-(n-ethyl-sulfamoyl)adenosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN)O	5AT	5'-amino-5'-deoxythymidine
+c1ccc(cc1)[As](SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	5AU	di-glutathione-phenylarsine
+Cc1c(sc(n1)C)CNc2cc(nc3n2ncc3)Cl	5AV	5-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
+C[C@@H](CC[C@H](C)NC(=O)OCc1cncs1)NC(=O)[C@@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C	5AW	n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2s,5s)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-d-valinamide
+CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO	5AX	2-(acetylamino)-1,5-anhydro-2-deoxy-d-glucitol
+Cn1cc(cn1)CNc2cc(nc3n2ncc3)OC[C@H]4C[C@@H]4c5ccccn5	5AY	n-[(1-methyl-1h-pyrazol-4-yl)methyl]-5-{[(1s,2s)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine
+C1=NC(=O)NC(=N1)N	5AZ	6-amino-1,3,5-triazin-2(1h)-one
+Cc1c(c(c(cn1)CCP(=O)(O)O)CO)O	5B0	{2-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid
+c1cc2c(cc1Br)c(n[nH]2)N	5B1	5-bromo-1h-indazol-3-amine
+c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N	5B2	5-phenyl-1h-indazol-3-amine
+CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N	5B3	4-(3-amino-1h-indazol-5-yl)-n-tert-butylbenzenesulfonamide
+Cn1cc(cn1)c2cc(ccn2)Oc3cc(c(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F)F	5B4	n-(2,5-difluoro-4-{[2-(1-methyl-1h-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide
+CCN[C@H]1CO[C@H]2[C@@H]1[C@H](CCO2)OC(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O	5B5	(3r,3as,4s,7as)-3-(ethylamino)hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/c2cc(cc(n2)c3ccccn3)O)O	5B6	[5-hydroxy-4-({(e)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC	5B7	(3r,3ar,4s,7as)-3-methoxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+C[C@H]([C@H](C1CCCCC1)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCCN5CCOCC5)O	5B8	(1r)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2s)-1-[(2s,3r)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate
+c1ccc2c(c1)cccc2COc3ccccc3C(=O)O	5B9	2-(naphthalen-1-ylmethoxy)benzoic acid
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)C(C)C)C(=O)CN3CCN(CC3)C	5BA	5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3h)-one
+CCCCCCCCC1=C(C(=O)NC(=N1)c2cc(ccc2OCC)S(=O)(=O)N3CCN(CC3)C)Br	5BB	5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3h)-one
+CCCc1cc(ccc1OCCCOc2ccc3c(c2)ccn3CC(=O)O)C(=O)c4ccc(cc4)c5ccccc5	5BC	(5-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propoxy}-1h-indol-1-yl)acetic acid
+CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c3cc(ccc3C2=O)NC(=O)CN(C)C	5BD	n,n'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]
+Cc1c(c([nH]n1)c2[nH]c3ccc(cc3n2)C(C)C)C(=O)NC4CCN(CC4)C	5BE	3-methyl-5-[5-(1-methylethyl)-1h-benzimidazol-2-yl]-n-(1-methylpiperidin-4-yl)-1h-pyrazole-4-carboxamide
+c1ccc(cc1)C[C@@H](C=O)NC(=O)[C@@H]2Cc3ccc(cc3)OCCCCOc4ccc(cc4)CCC(=O)c5ccc([nH]5)C(=O)N2	5BF	(11s)-4,9-dioxo-n-[(2s)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)NC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)OC)C5CCCCC5	5BG	{3-[(1r)-1-[({(2s)-1-[(2s)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
+COc1cc(cc(c1OC)OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)NC4(CCCC4)C(=O)N	5BH	(2s)-n-(1-carbamoylcyclopentyl)-1-[(2s)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
+c1ccc2c(c1)cccc2c3cccc4c3cc([nH]4)C(=O)O	5BJ	4-(naphthalen-1-yl)-1h-indole-2-carboxylic acid
+c1cc(c2cc[nH]c2c1)c3cccc4c3cc([nH]4)C(=O)O	5BK	1h,1'h-4,4'-biindole-2-carboxylic acid
+c1ccc2c(c1)cccc2c3cc(cc4c3nc(cc4)C(=O)O)c5ccc[nH]5	5BL	8-(naphthalen-1-yl)-6-(1h-pyrrol-2-yl)quinoline-2-carboxylic acid
+c1ccc(c(c1)N)S/C(=C(\C#N)/C(=C(N)Sc2ccccc2N)C#N)/N	5BM	(2z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile
+c1cc([nH]c1)c2cc(c3c(ccc4c3c2C(=O)N4)F)NCCN	5BN	5-[(2-aminoethyl)amino]-6-fluoro-3-(1h-pyrrol-2-yl)benzo[cd]indol-2(1h)-one
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)CC)S(=O)(=O)N3CCN(CC3)C	5BO	5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+c1cc2c(cnn2nc1)c3ccnc(n3)NC4CC4	5BP	n-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
+CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)C2C(=O)CCCC2=O	5BQ	2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione
+CCCCCBr	5BR	1-bromopentane
+CN1c2ccsc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)S(=O)(=O)N)C	5BS	4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5h-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)CO)O	5BT	5-bromo-2'-deoxycytidine
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)Br	5BU	5-bromo-uridine-5'-monophosphate
+CCCCCC[C@H]([C@@H](C)C(=O)O)OC(=O)CN	5BV	(2r,3r)-3-(glycyloxy)-2-methylnonanoic acid
+c1ccc(c(c1)C(=O)/C=C/N2C[C@H]3C[C@@H]2CN3c4ccccn4)O	5BW	(2e)-1-(2-hydroxyphenyl)-3-[(1r,4r)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one
+C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)NC	5BX	(5s)-5-[(1r)-1-(1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5h)-one
+B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C/C=C/c2cn(nn2)CCOCCOCCOCC(=O)O)(O)O	5BY	{2-[2-(2-{4-[(1e)-4-{[(2s)-1-{[(1r)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid
+B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC#C)(O)O	5BZ	[(1~{r})-1-[[(2~{s})-2-(hex-5-ynoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid
+c1ccc(c(c1)C(=O)/C=C/N2[C@H]3CC[C@@H]2c4c(c(ncn4)NC5CC5)C3)O	5C0	(2e)-3-[(6s,9r)-4-(cyclopropylamino)-6,7,8,9-tetrahydro-5h-6,9-epiminocyclohepta[d]pyrimidin-10-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one
+c1ccc(c(c1)c2cnc(o2)C(=O)NO)Cl	5C1	5-(2-chlorophenyl)-n-hydroxy-1,3-oxazole-2-carboxamide
+CC(C)n1c2c(cc(cn2)C(=O)NCc3coc(n3)c4cccs4)cn1	5C2	1-(propan-2-yl)-n-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
+c1ccc(cc1)S(=O)(=O)NC(=O)C2CCC(CC2)CN	5C3	4-(aminomethyl)-n-(benzenesulfonyl)cyclohexanecarboxamide
+CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4	5C4	4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol
+COc1ccc(cc1)C2(c3ccccc3CCc4c2cccc4)SC[C@@H](C(=O)O)N	5C5	(2r)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid
+CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc5c4cccc5	5C6	4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol
+CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)C(C)(C)C	5C7	4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol
+CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc4ccccc4c3	5C8	4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol
+CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc(c4)C	5C9	4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CS)N)O)O)N	5CA	5'-o-(n-(l-cysteinyl)-sulfamoyl)adenosine
+c1ccnc(c1)CCNC2=NCC(N(C2O)CC(=O)NCc3csc4c3cc(cc4)Cl)Cl	5CB	n-(5-chloro-benzo[b]thiophen-3-ylmethyl)-2-[6-chloro-oxo-3-(2-pyridin-2-yl-ethylamino)-2h-pyrazin-1-yl]-acetamide
+CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4	5CC	4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N	5CD	5'-chloro-5'-deoxyadenosine
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3C(F)(F)F)O	5CE	(1s,3ar,5s,7as)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1h-inden-1-ol
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)F	5CF	5-fluorocytidine 5'-(dihydrogen phosphate)
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N=C(NC2=O)N	5CG	5'-chloro-5'-deoxy-guanosine
+Cc1ccc(cn1)c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C	5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC(=O)C(CC(=O)O)(CC(=O)O)O)O)O)N	5CI	8-bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3cc(c(c(c3F)F)O)F	5CJ	(1s,3ar,5s,7as)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1h-inden-1-ol
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(c(c3F)F)O	5CK	(1s,3ar,5s,7as)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol
+c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	5CL	1,2,3,4,5-pentachlorobenzene
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5CM	5-methyl-2'-deoxy-cytidine-5'-monophosphate
+CC1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(o3)C#N)CO	5CN	5-cyano-furan-2-carboxylic acid [5-hydroxymethyl-2-(4-methyl-piperidin-1-yl)-phenyl]-amide
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Cl)CC)S(=O)(=O)N3CCN(CC3)C	5CO	5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+CNc1cc(nc(n1)Nc2ccc(cc2)CC#N)Nc3cc([nH]n3)C4CC4	5CP	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
+Cc1cc(ccc1[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]3O)C)O	5CQ	(1s,3ar,5s,7as)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1h-inden-1-ol
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)O	5CR	n-acetyl-l-phenylalanine
+C1C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	5CS	2-amino-3-(cystein-s-yl)-isoxazolidin-5-yl-acetic acid
+C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N	5CT	hypusine
+C1=C(C(=O)NC(=O)N1)C(=O)O	5CU	2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
+CC(C)(CN(C)C)COc1ccc2c(c1)cc([nH]2)C3=CC(=CNC3=O)NC(=O)c4cnn(c4)Cc5ccccc5	5CV	1-benzyl-n-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1h-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1h-pyrazole-4-carboxamide
+c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)O)N	5CW	5-chloro-l-tryptophan
+CC(C)c1ccccc1c2ccc(cc2)S(=O)(=O)N	5CX	2'-(propan-2-yl)biphenyl-4-sulfonamide
+CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3CCCO)(C)C)CCCO)C	5CY	1-(3-hydroxypropyl)-2-{(1e,3e,5e)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2h-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3h-indolium
+[H]/N=C(\c1ccc(cc1)Oc2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N	5CZ	2-[4-(4-carbamimidoylphenoxy)phenyl]-1h-indole-6-carboximidamide
+c1cc(ccc1C2=NCCCN2)OCCCCCOc3ccc(cc3)C4=NCCCN4	5D0	2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine
+Cc1cccc(c1)CN2CCC(CC2)CNC(=O)CCCOC3=CC(=O)N(c4c3cccc4)C	5D1	n-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
+Cc1nnc2n1nc(cc2)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(c5)Cl	5D2	n-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
+CC(=O)NCCCCCCNC(=O)C	5D4	n-(6-acetamidohexyl)acetamide
+C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	5D5	2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
+C/C(=C\c1ccc(cc1)N(C)C)/C(=O)N[C@H]2[C@H]([C@H]3[C@@H]([C@@H]([C@H]2O)O)O[C@@H](O3)O[C@@H]([C@H](CO)O)C(=O)O)N(C)C	5D6	orthoformimycin
+[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)C(=O)OCC=C)N	5D7	prop-2-en-1-yl 2-[(1s)-1-amino-4-carbamimidamidobutyl]-1,3-thiazole-4-carboxylate
+[H]/N=C(\N)/NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)N	5D8	ethyl 2-(2-{2-[(1s)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate
+[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)NC	5D9	ethyl 2-(2-{2-[(1s)-4-carbamimidamido-1-(methylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate
+[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)c4nc(c(o4)C)c5ncc(o5)C)NC	5DA	1-[(4s)-4-(4-{4-[4-(5,5'-dimethyl-2,4'-bi-1,3-oxazol-2'-yl)-1,3-thiazol-2-yl]-5-methyl-1,3-oxazol-2-yl}-1,3-thiazol-2-yl)-4-(methylamino)butyl]guanidine
+CC1=CN(C(=O)N=C1OC)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5DB	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methoxy-5-methylpyrimidin-2(1h)-one
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	5DD	[(2~{r},3~{s},4~{s})-5-[(4~{a}~{r})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CCOC(=O)c1c(nn(c1C)c2ccc(cc2)N)C	5DE	1-(4-aminophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
+CS(=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(cc3)O	5DF	4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol
+CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(cc4)F	5DG	4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol
+c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N	5DH	3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile
+C1C(=O)[C@H]([C@@H]([C@@](O1)(CO)F)O)O	5DI	alpha-d-threo-hexo-2,5-diulo-2,6-pyranosyl fluoride
+c1ccc(cc1)C=C(c2ccc(cc2)O)c3ccc(cc3)O	5DJ	4,4'-(2-phenylethene-1,1-diyl)diphenol
+[H]/N=C(\N)/NCCC[C@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	5DK	(e)-n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-d-arginine
+c1ncn(n1)C[C@@H](CP(=O)(O)O)O	5DL	[(2s)-2-hydroxy-3-(1h-1,2,4-triazol-1-yl)propyl]phosphonic acid
+CSCC[C@H](C(=O)O)NC[C@H](Cc1ccccc1)N	5DM	n-[(2s)-2-amino-3-phenylpropyl]-d-methionine
+c1cc(cc(c1)Br)c2cc(c3cccc(c3n2)F)C(=O)O	5DN	2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid
+C1CC(=O)N(C1=O)CCCCC(=O)NCCOCCOCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)O)O	5DP	5-(2,5-dioxopyrrolidin-1-yl)-n-[2-(2-{2-[(4-o-alpha-d-idopyranosyl-alpha-d-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide
+c1cc(ccc1c2[nH]c3c(ccnc3n2)S(=O)(=O)NC4CCCC4)C(F)(F)F	5DQ	n-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-imidazo[4,5-b]pyridine-7-sulfonamide
+CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccccc3	5DR	6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
+CN(C)c1nnc(s1)[C@H](N)S(=O)(=O)N	5DS	(r)-1-amino-1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide
+c1ccc(cc1)CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NCc3ccccc3)F	5DT	2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide
+c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)N)F)F)SCCO)F	5DU	2-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
+Cc1cc(cc(c1)[P@](=O)(c2c3cc(ccc3[nH]c2C(=O)N)Cl)OC)CCC#N	5DV	methyl (r)-(2-carbamoyl-5-chloro-1h-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate
+C#Cc1ccc(cc1)C[C@@H](C(=O)O)N	5DW	4-ethynyl-l-phenylalanine
+c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)Br	5DX	5-[(2r)-2-amino-2-carboxyethyl]-1-(4-bromophenyl)-1h-pyrazole-3-carboxylic acid
+c1cc(ccc1CCCF)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N	5DY	5-[(2r)-2-amino-2-carboxyethyl]-1-[4-(3-fluoropropyl)phenyl]-1h-pyrazole-3-carboxylic acid
+c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)F	5DZ	5-[(2r)-2-amino-2-carboxyethyl]-1-(4-fluorophenyl)-1h-pyrazole-3-carboxylic acid
+c1ccc(cc1)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N	5E0	5-[(2r)-2-amino-2-carboxyethyl]-1-phenyl-1h-pyrazole-3-carboxylic acid
+c1ccc2c(c1)c(cc(n2)c3cccc(c3)Br)C(=O)O	5E1	2-(3-bromophenyl)quinoline-4-carboxylic acid
+c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O	5E2	2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid
+c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Br	5E4	2-[(3-bromophenyl)amino]benzoic acid
+Cc1c2cc(ncc2n[nH]1)c3cccnc3	5E5	3-methyl-5-(pyridin-3-yl)-2h-pyrazolo[3,4-c]pyridine
+c1cc(nc(c1)N[C@H]2CCC[C@@H](C2)N)c3c4cc(ncc4[nH]n3)c5cccnc5	5E6	(1s,3s)-n-{6-[5-(pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)O	5E7	n-[(2s,3r)-3-hydroxy-4-({(2s,3s)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](C)Cc2ccccc2	5E8	ethyl (2z,4s)-4-{[(2s)-2-methyl-3-phenylpropanoyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)N	5E9	ethyl (2z,4s)-4-{[(2r,5s)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN4CCOCC4	5EA	5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-n-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC3CC3	5EB	ethyl (2z,4s)-4-{[n-(3-cyclopropylpropanoyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(C)C	5EC	ethyl (2z,4s)-4-{[n-(3-methylbutanoyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCCC3CC3	5ED	ethyl (2z,4s)-4-[(n-{[(2-cyclopropylethyl)amino](oxo)acetyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+c1cc(sc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(c(c3)Cl)Cl	5EE	5r-(3,4-dichlorophenylmethyl)-3-(2-thiophenesulfonylamino)-4-oxo-2-thionothiazolidine
+c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	5EF	3-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+c1ccc(c(c1)OCc2nnnn2CC(=O)NNC(=O)Nc3ccc(cc3)Cl)Cl	5EG	2-({5-[(2-chlorophenoxy)methyl]-1h-tetrazol-1-yl}acetyl)-n-(4-chlorophenyl)hydrazinecarboxamide
+CN(C)CC/C=C/1\c2ccccc2COc3c1cccc3	5EH	(3e)-3-(dibenzo[b,e]oxepin-11(6h)-ylidene)-n,n-dimethylpropan-1-amine
+CCOC1=NC(=O)N(C=C1C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5EJ	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-ethoxy-5-methylpyrimidin-2(1h)-one
+c1ccc(c(c1)c2nnnn2CC(=O)NNC(=O)Nc3ccc4ccn(c4c3)c5ccccc5Cl)Cl	5EK	n-[1-(2-chlorophenyl)-1h-indol-6-yl]-2-{[5-(2-chlorophenyl)-1h-tetrazol-1-yl]acetyl}hydrazinecarboxamide
+c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)NCc5ccncc5	5EL	4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)-n-(pyridin-4-ylmethyl)benzamide
+CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)N	5EM	n-[(2s)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide
+C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)(C(F)F)O	5EN	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3s)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
+CCCOc1ccc(cc1C2=NC(=CC(=O)N2)CC)S(=O)(=O)N3CCN(CC3)C	5EO	6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+CC[C@H](C)[C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N	5EP	n~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n-hydroxy-l-isoleucinamide
+c1cc2c(cc[nH]2)cc1C(=O)C=C(C(=O)O)O	5EQ	(2z)-2-hydroxy-4-(1h-indol-5-yl)-4-oxobut-2-enoic acid
+c1ccc2c(c1)c(c[nH]2)C(=O)/C=C(/C(=O)O)\O	5ER	(2z)-2-hydroxy-4-(1h-indol-3-yl)-4-oxobut-2-enoic acid
+c1cc(cc(c1)Nc2ccc(cc2)F)C=C(c3ccc(cc3)O)c4ccc(cc4)O	5ES	4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
+c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O	5ET	4,4'-thiene-2,5-diylbis(3-chlorophenol)
+Cc1cc(sc1c2ccc(cc2Cl)O)c3ccc(cc3Cl)O	5EU	4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol)
+Cc1cc2ccc(cc2n1c3ccccc3Oc4ccccc4)Nc5nccc(n5)NC	5EV	n~4~-methyl-n~2~-[2-methyl-1-(2-phenoxyphenyl)-1h-indol-6-yl]pyrimidine-2,4-diamine
+Cc1cc2ccc(cc2n1c3cc(cnc3Cl)C4=C(C=CN(C4=O)C)C)Nc5nccc(n5)NC	5EW	6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1h-indol-1-yl)-3,3'-bipyridin-2(1h)-one
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCC3CCC3	5EX	ethyl (2z,4s)-4-[(n-{[(cyclobutylmethyl)amino](oxo)acetyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+c1ccc\2c(c1)C[C@H](/C2=C/c3ccc4c(c3C(=O)O)O[C@@H](CO4)CCC(=O)O)O	5EY	(3r)-3-(3-hydroxy-3-oxopropyl)-6-[(e)-[(2r)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1c2c(cc(c1OC[C@@H]3CCNC3)Cl)C(=O)NC=C2	5EZ	7-choro-6-[(3r)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CF)O)N	5F1	5'-fluoro-2',5'-dideoxyadenosine
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C	5F2	ethyl (2z,4s)-4-[(n-acetyl-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3	5F3	3,5-di(pyridin-4-yl)benzoic acid
+CNC(=O)c1cc(c[nH]1)C(=O)c2c(cccc2Cl)Cl	5F4	4-(2,6-dichlorobenzoyl)-n-methyl-1h-pyrrole-2-carboxamide
+c1cc(cc(c1)C(=O)O)c2nccs2	5F5	3-(1,3-thiazol-2-yl)benzoic acid
+c1cc(c(c(c1)Cl)C(=O)c2ccc3c(c2)cccn3)Cl	5F6	(2,6-dichlorophenyl)(quinolin-6-yl)methanone
+CN(c1ccc2c(c1)c(ccn2)OC)c3c(cccc3Cl)Cl	5F7	n-(2,6-dichlorophenyl)-4-methoxy-n-methylquinolin-6-amine
+c1cc(cc(c1)C(=O)O)c2cccnc2	5F8	3-(pyridin-3-yl)benzoic acid
+CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	5F9	arachinoyl-coa
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N	5FA	adenosine-5'-pentaphosphate
+COc1cc(ccc1Oc2ccc(cc2C(F)(F)F)C#N)C[C@@H]3C(=O)NC(=O)S3	5FB	4-(4-{[(5r)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)O)O	5FC	5-formyl-2'-deoxy-cytidine-5'-monophosphate
+[H]/N=C/1\C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O	5FD	5'-fluoro-5'-deoxyadenosine
+C[C@@H](C(=O)N[C@H]([C@H](CC(=O)OC)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	5FE	5,5,5-trifluoro-3-hydroxy-4-[2-(5,5,5-trifluoro-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid methyl ester
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)OC)N2)C(F)(F)F	5FF	(5r,7s)-5-(4-ethylphenyl)-n-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(cc1)C[C@H]2C(=O)NC(=O)N2	5FH	(5s)-5-benzylimidazolidine-2,4-dione
+CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F	5FI	2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1h-benzimidazole
+CC(C)(C)NC(=O)c1cncn1C2CCN(CC2)c3ccc(cn3)c4nnc(o4)C(F)(F)F	5FJ	n-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1h-imidazole-5-carboxamide
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cn4)F)N2)C(F)(F)F	5FK	(5r,7s)-5-(4-ethylphenyl)-n-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1cc(cc(c1)C(=O)O)c2ccncc2	5FL	3-(pyridin-4-yl)benzoic acid
+CC1=N[C@@H]2[C@H]([C@@H]([C@](O[C@@H]2O1)(CO)F)O)O	5FN	(3as,5s,6s,7r,7ar)-5-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]oxazole-6,7-diol
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)F)CC)S(=O)(=O)N3CCN(CC3)C	5FO	6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+C[C@@H](C(=O)N[C@H]([C@H](CC(=O)O)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	5FP	5,5,5-trifluoro-3-hydroxy-4-[2-(5,5,5-trifluoro-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid
+CCCCCNC(=O)[C@H](C)N	5FQ	n-pentyl-l-alaninamide
+Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)CCC(=O)N)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C	5FR	4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1h-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-n-(1-methylpipe ridin-4-yl)benzamide
+Cc1cc(ccc1C2=CS(=O)(=O)C=C2c3ccc(cc3C)O)O	5FS	3,4-bis(4-hydroxy-2-methylphenyl)-1h-1lambda~6~-thiophene-1,1-dione
+Cc1cc(ccc1O)C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(c(c5)C)O	5FT	phenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F	5FU	5-fluoro-uridine-5'-monophosphate
+Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(cc5C)O)O	5FV	phenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
+CC(C)NC[C@@H](c1ccc(c(c1)O)O)O	5FW	isoprenaline
+C([C@H]([C@@H](C(=O)CO)O)O)F	5FX	5-deoxy-5-fluoro-d-xylulose
+Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccc(cc4)O)c5ccc(cc5C)O)O	5FY	4-hydroxyphenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
+CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	5G0	(z)-[(3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] n-phenylcarbamate
+c1ccc(c(c1)C(=O)NN)Cl	5G1	2-chlorobenzohydrazide
+c1cc(c(cc1O)Cl)C2=CS(=O)(=O)C=C2c3ccc(cc3Cl)O	5G2	3,4-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~6~-thiophene-1,1-dione
+c1ccc(c(c1)/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O)Cl	5G3	4-[(e)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
+Cc1ccccc1/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O	5G4	4-{(e)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol
+c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3)O)Cl	5G5	4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol
+c1ccc(cc1)N=C(c2ccc(cc2)O)c3ccc(cc3)O	5G6	4,4'-(phenylcarbonimidoyl)diphenol
+Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3)O	5G7	4,4'-[(2-methylphenyl)carbonimidoyl]diphenol
+c1cc(c(cc1Cl)Cl)OCCCCCn2ccnc2	5G8	1-[5-(2,4-dichlorophenoxy)pentyl]-1h-imidazole
+c1cc(cc(c1)Cl)c2c(sc(n2)N)c3ccc4c(n3)cccn4	5G9	4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
+c1cc2c(ccc(n2)c3c(nc(s3)N)c4ccc(c(c4)Cl)F)nc1	5GA	4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
+Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4	5GB	4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
+CC(C)S(=O)(=O)c1c(n[nH]c1SC)N	5GC	5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1h-pyrazol-3-amine
+Cc1cc(cc(c1OCCN2CCCC2)C)C3=Nc4cc(cc(c4C(=O)N3)OC)OC	5GD	2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3h)-one
+C([C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O	5GF	5-fluoro-beta-d-glucopyranose
+C(CCNCCCCN)C[C@@H](C(=O)O)N	5GG	deoxyhypusine
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)CCc2ccccc2	5GH	ethyl (4s)-5-[(3s)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate
+Cc1cc(no1)C(=O)N[C@@H](Cc2ccc(cc2)F)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C=O	5GI	~{n}-[(2~{s})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
+c1ccc(cc1)C2(CC2)C(=O)N3CCC[C@H](C3)O	5GJ	[(3r)-3-hydroxypiperidin-1-yl](1-phenylcyclopropyl)methanone
+c1cc(cc(c1)C(F)(F)F)C2CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4	5GK	5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1h)-one
+CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C	5GL	4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{h}-cyclopenta[d]pyrimidin-2-one
+CC[C@H](C)C[C@@](C)(C(=O)O)N	5GM	(4s)-2,4-dimethyl-l-norleucine
+Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cc(cc4)Br)C	5GN	n-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)OS(=O)(=O)O)O)O	5GO	4-o-(3-o-sulfo-beta-d-galactopyranosyl)-beta-d-glucopyranose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	5GP	guanosine-5'-monophosphate
+CC1=CN2CC(CN=C2C=C1)O	5GQ	7-methyl-3,4-dihydro-2~{h}-pyrido[1,2-a]pyrimidin-3-ol
+Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4cn(nn4)Cc5ccccc5)C	5GR	n-(5-{3-[(1-benzyl-1h-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
+C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)O	5GS	2'-c-methyluridine 5'-(trihydrogen diphosphate)
+c1cc2c(cc1C(F)(F)F)NC(=O)CN2	5GT	7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1h)-one
+c1cc2c(cc1Br)NC(=O)CN2	5GU	7-bromo-3,4-dihydroquinoxalin-2(1h)-one
+CC[C@@H]1C(=O)Nc2cc(ccc2N1)C(=O)O	5GV	(2r)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
+c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	5GW	5-phenyluridine 5'-(trihydrogen diphosphate)
+Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5ccccc5	5GX	7-(1-benzyl-1h-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridine
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CF)O)CCOP(=O)(O)OP(=O)(O)O	5GY	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1r)-2-fluoro-1-hydroxyethyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Oc2c(cccc2Cl)[N+](=O)[O-]	5GZ	4-(2-chloro-6-nitrophenoxy)-n-[2-(diethylamino)ethyl]benzenesulfonamide
+c1ccc(cc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(cc3)Br	5H	5r-(4-bromophenylmethyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine
+CC(=O)O[C@H]1[C@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC	5H0	(2r,3r)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate
+c1cc2c(cc[nH]2)cc1O	5H1	1h-indol-5-ol
+COC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)c4nncn4c5ccccc5Cl	5H2	methyl {2-[4-(2-chlorophenyl)-4h-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate
+[H]/N=C(\c1cccs1)/Nc2cccc(c2)CNCCc3cccc(c3)F	5H3	n-[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide
+[H]/N=C(\c1cccs1)/Nc2cccc(c2)CN(CC)CCc3cccc(c3)F	5H4	n-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide
+C[C@@H](C(=O)N)Oc1ccc-2c(c1)OCCn3c2nc(c3)c4ncnn4C(C)C	5H5	(2s)-2-({2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide
+c1cc(sc1c2cc(no2)C(=O)O)Cl	5H6	5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
+C[C@H]1C[C@H](C[C@H](C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	5H7	n-{4-[(1r,3s,5s)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
+CC(C)C[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	5H8	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-3-methyl-l-valine
+CC(C)C[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	5H9	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-4-methyl-l-leucine
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CC4)O	5HA	n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]isophthalamide
+CN(C[C@@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3	5HB	n-{[(3r)-1-benzylpiperidin-3-yl]methyl}-n-methylnaphthalene-2-sulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)O)O	5HC	2'-deoxy-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)
+C(CCO)CC(CCCCO)CCO	5HD	5-(2-hydroxyethyl)nonane-1,9-diol
+CC\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@@H](CCCC(=O)O)O	5HE	(5r,6e,8z,11z,14z,17z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid
+COCCN(C[C@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3	5HF	n-{[(3s)-1-benzylpiperidin-3-yl]methyl}-n-(2-methoxyethyl)naphthalene-2-sulfonamide
+c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)O)N	5HG	{[2-(6-amino-9h-purin-9-yl)ethoxy]methyl}phosphonic acid
+c1ccc(cc1)CN2CCC[C@H](C2)CNS(=O)(=O)c3ccc4ccccc4c3	5HH	n-{[(3r)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide
+CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)N[C@H](CO)c3ccccc3	5HI	(3r,5r)-7-[2-(4-fluorophenyl)-4-{[(1s)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1h-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
+COc1ccc(cc1)[C@@H]2N(C(=O)CS2)C3CC3	5HJ	(2r)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
+CN(C)C(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)c4ccc(c(c4)OC)[N+](=O)[O-]	5HK	2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]-n,n-dimethylacetamide
+CCc1cccc2c1NC(=O)C(=C2)CNC3CC3	5HL	3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1h)-one
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)CO	5HM	5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)
+c1c(cncc1O)C(=O)O	5HN	5-hydroxypyridine-3-carboxylic acid
+c1cc(ncc1Cl)NC(=O)C(=O)N2CCCC2	5HO	n-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide
+C1CC(=O)N[C@@H]1C(=O)O	5HP	pyroglutamic acid
+c1cc(oc1)c2ccc(cn2)CN	5HQ	1-[6-(furan-2-yl)pyridin-3-yl]methanamine
+c1ccc(cc1)CNC[C@H](N)P(=O)(O)O	5HR	[(1r)-1-amino-2-(benzylamino)ethyl]phosphonic acid
+Cc1conc1CCc2cccnc2	5HS	3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)O	5HT	5-hydroxy-thymidine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O	5HU	5-hydroxymethyluridine-2'-deoxy-5'-monophosphate
+CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCc5ccc(cc5)F	5HV	n-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1h-cyclopenta[d]pyrimidin-1-yl}-n-{[ 4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide
+C[C@@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1	5HW	4,4'-{[(3r)-3-methylcyclohexylidene]methanediyl}diphenol
+c1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O	5HX	4-[(e)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol
+C([C@@H]1C(=O)NC(=O)N1)C(=O)O	5HY	[(4r)-2,5-dioxoimidazolidin-4-yl]acetic acid
+c1cc(ccc1C(=C2C3CCCC2CCC3)c4ccc(cc4)O)O	5HZ	4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol
+CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CCC[C@H](C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl	5I1	n-[4-[(3r)-3-[[5-chloranyl-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
+c1cc(c(c(c1)NS(=O)(=O)c2cc(ccc2F)F)F)c3c(sc(n3)[C@@H]4COCCN4)c5ccnc(n5)N	5I4	~{n}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{s})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide
+C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c3c2ncnc3N)I)O)O	5I5	7-(5-deoxy-beta-d-ribofuranosyl)-5-iodo-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+COc1ccc(cc1NC(=O)c2cccc3c2oc4c3cccc4)C(=O)NO	5IB	~{n}-[2-methoxy-5-(oxidanylcarbamoyl)phenyl]dibenzofuran-4-carboxamide
+C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)I	5IC	5-iodo-cytidine-5'-monophosphate
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I	5ID	(2r,3r,4s,5r)-2-(4-amino-5-iodo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCCOC	5IG	6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2,2-dimethyl-2h-1,4-benzoxazin-3(4h)-one
+C[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O	5II	methyl 2-deoxy-2-methyl-alpha-d-mannopyranoside
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)C)\C)OC)(NC(=O)O2)O	5IJ	(1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate
+CN(Cc1ccccc1)Cc2ccc(cc2)COc3ccc4c(c3)OC(=O)C=C4CO	5IK	4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one
+c1c(nc(s1)N2CCCCC2)N	5IM	2-(1-piperidinyl)-1,3-thiazol-4-amine
+c1ccc(cc1)COC[C@@H](C(=O)NCc2ccc(cc2)C(=N)N)NC(=O)[C@@H](CO)NS(=O)(=O)Cc3ccccc3	5IN	n-(benzylsulfonyl)-l-seryl-n~1~-{4-[amino(imino)methyl]benzyl}-o-benzyl-l-serinamide
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)I)CC)S(=O)(=O)N3CCN(CC3)C	5IO	6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+C1([C@@H]([C@H](C([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	5IP	(1r,2r,3r,4r,5s,6s)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]
+c1cc2cnccc2c(c1)N	5IQ	isoquinolin-5-amine
+c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)[N-]4CC[NH2][Ir+3]4	5IR	[n-(4-{[2-(amino-kappan)ethyl]sulfamoyl-kappan}phenyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(iii)
+C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)OC	5IS	(1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O	5IT	5-iodo-thymidine-5'-phosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O	5IU	5-iodo-2'-deoxyuridine-5'-monophosphate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3	5IW	(2s)-4-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2s)-3-phenyl-2-[[(e)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)Cc5ccccc5)C)\C)OC)(NC(=O)O2)O	5IX	(1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate
+CC[C@H](C)[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	5IZ	(2s,3s)-3-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(e)-3-phenylprop-2-enoyl]amino]pentanamide
+c1cc(cc(c1)O)C(=C2C3CCCC2CCC3)c4ccc(cc4)O	5J0	3-[(e)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol
+c1cc(ccc1C(c2ccc(cc2)O)C3C4CCCC3CCC4)O	5J1	4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol
+c1cc(ccc1/C(=N\c2ccc(cc2)F)/c3ccc(cc3O)O)O	5J2	4-[(e)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
+c1cc2c(cc1NC3=CC=C3)sc(n2)c4nc(cs4)O	5J4	2-[6-(cyclobuta-1,3-dien-1-ylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-ol
+c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O	5J5	2-[(chloroacetyl)amino]-5-[(e)-(4-sulfophenyl)diazenyl]benzenesulfonic acid
+COC(=O)c1c(nc(nc1c2ccc(cc2Br)F)c3nccs3)CN4CCOCC4	5J6	methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4cc(c(c(c4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/c6ccc(c(c6)O)O)O)O)O)O)O	5J7	5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4h-chromen-3-yl 6-deoxy-2-o-{6-o-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-d-glucopyranosyl}-alpha-l-mannopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CCCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N	5J8	[[(2r,3s,4r,5r)-5-(5-aminocarbonyl-3,4-dihydro-2h-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)CN5C=CC(=NC5=O)N	5J9	3'-{4-[(4-amino-2-oxopyrimidin-1(2h)-yl)methyl]-1h-1,2,3-triazol-1-yl}-3'-deoxyadenosine
+C[C@@H]1Cc2c(c(n(n2)C)c3ccccc3)-c4c1cnc(n4)Nc5ccn(n5)CCN6CCN(CC6)CCOC	5JA	(5r)-n-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1h-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5h-pyrazolo[3,4-h]quinazolin-2-amine
+C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C	5JB	(25s)-3-oxocholest-4-en-26-oyl-coa
+c1cc(c(cc1Cl)Cl)O	5JC	2,4-dichlorophenol
+c1cc(c(cc1O)Cl)Cl	5JD	3,4-dichlorophenol
+c1ccc2c(c1)[nH]c(n2)n3ccnc3	5JE	2-imidazol-1-yl-1h-benzimidazole
+c1cc(c(c(c1)Cl)Cl)O	5JF	2,3-dichlorophenol
+COc1cc(c(cc1OC)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	5JG	6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-n-(piperidin-4-ylmethyl)-3h-imidazo[4,5-b]pyridin-7-amine
+CCCCCCC(=O)O[C@H]1CC(=O)N(c2cc(cc(c2Cl)OC)C/C(=C/C=C/[C@H]([C@]3(C[C@H]([C@H]([C@H]4[C@]1(O4)C)C)OC(=O)N3)O)OC)/C)C	5JH	(1r,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate
+CCC#CCN(c1ccc2c(c1)c(ccn2)N)c3c(cccc3Cl)Cl	5JJ	n~6~-(2,6-dichlorophenyl)-n~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C	5JK	7alpha-hydroxycholesterol
+C12=C(NC(=S)N1)NC(=S)NC2=O	5JL	2,8-dithioxo-1,2,3,7,8,9-hexahydro-6h-purin-6-one
+c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)C(=O)O)NC(=O)/C=C/c3cc(ccc3n4cnnn4)Cl	5JM	4-[(n-{(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}-l-phenylalanyl)amino]benzoic acid
+Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)OCCO[N+](=O)[O-])C	5JN	2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate
+C#CCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	5JO	2'-o-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate)
+CN[C@@H](CO)C(=O)O	5JP	n-methyl-l-serine
+C12=C(NC(=O)N1)NC(=S)NC2=O	5JQ	2-thioxo-2,3,7,9-tetrahydro-1h-purine-6,8-dione
+CCC(=O)Nc1ccccc1Nc2ncc3c(n2)N(C(=O)N(C3)c4cc(cc(c4)OC)OC)CCCN5CCN(CC5)C(=O)CC	5JR	n-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4h-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide
+C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)Cc5ccccc5)C)\C)OC	5JS	(1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate
+c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)N	5JT	(3r)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
+Cc1c(cccn1)c2c3cc(ccc3sc2Cl)NC(=O)NCC(=O)NCCCN(C)[C@@H]4CCCN(C4)c5c6c(ncn5)N=CC6	5JU	n~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-n-(3-{methyl[(3r)-1-(5h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)CCC(=O)O)O	5JV	4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-4-enoic acid
+c1cc-2c(cc1Cl)C(=NOCC(=O)O)c3c2ccc(c3)Cl	5JW	{[(2,7-dichloro-9h-fluoren-9-ylidene)amino]oxy}acetic acid
+c1cc(ccc1C(=C2CCC(CC2)CF)c3ccc(cc3)O)O	5JX	4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol
+CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1	5JY	4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol
+CCOc1nc(nc(n1)n2cnc3c2cc(cc3)C(=O)N4CCCc5c4cccc5)N[C@@H](Cc6ccc7c(c6)COC(O7)(C)C)C(=O)NC	5JZ	n~2~-{4-[6-(3,4-dihydroquinolin-1(2h)-ylcarbonyl)-1h-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4h-1,3-benzodioxin-6-yl)-n-methyl-l-alaninamide
+CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1	5K0	4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol
+CS[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1	5K1	4,4'-{[(3s)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol
+c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2	5K2	4,4'-(3,4-dihydronaphthalen-2(1h)-ylidenemethanediyl)diphenol
+CO[C@@H](CCc1ccc(cc1)O)O	5K3	4-[(3s)-3-hydroxy-3-methoxypropyl]phenol
+CC[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1	5K4	4,4'-{[(3s)-3-ethylcyclohexylidene]methanediyl}diphenol
+c1cc(ccc1C(=C2CC[C@H]3CCCC[C@@H]3C2)c4ccc(cc4)O)O	5K5	4,4'-[(4ar,8ar)-octahydronaphthalen-2(1h)-ylidenemethanediyl]diphenol
+COC(=O)CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1	5K7	methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate
+COC(=O)C([C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1)C(=O)OC	5K8	dimethyl {(1s)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate
+c1cc(ccc1C(=C2CCC(CC2)CCOCCCCF)c3ccc(cc3)O)O	5KA	4,4'-({4-[2-(4-fluorobutoxy)ethyl]cyclohexylidene}methanediyl)diphenol
+c1ccc(cc1)[C@@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2	5KB	4,4'-{[(3r)-3-phenylcyclohexylidene]methanediyl}diphenol
+C([C@@H]([C@@H](C(=O)O)N)O)NCC(=O)O	5KC	(2s,3s)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid
+COc1ccc(cc1)[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2	5KD	4,4'-{[(3s)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol
+c1cc(ccc1[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2)O	5KE	4,4'-{[(3s)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol
+c1cc(ccc1C(=C2CCC[C@@H](C2)CCO)c3ccc(cc3)O)O	5KF	4,4'-{[(3s)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol
+c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O	5KG	4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol
+Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)c4cccc(c4)C(F)(F)F)O	5KH	n-(1-acetyl-1h-indol-3-yl)-n-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide
+C[C@@H]1[C@@H]2C=C([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)C)\C)OC)NC(=O)O2	5KI	(1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate
+[H]/N=C(\NO)/N(C)CCC[C@@H](C(=O)O)N	5KJ	n~5~-(n-hydroxycarbamimidoyl)-n~5~-methyl-l-ornithine
+C1CNCN2CNCCNCN(CN1)CNCCNC2	5KK	1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane
+CN(C)/C=C/C(=O)c1ccccc1O	5KL	(2e)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
+c1cc(cc2c1ccc(n2)CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)C(=O)O	5KM	2-[[(2~{r},3~{r},4~{r})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{h}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid
+c1cc(c(cc1N2CCOCC2)N3CCOCC3)N	5KN	2,4-di(morpholin-4-yl)aniline
+C[C@H](CC=O)O	5KO	(3r)-3-hydroxybutanal
+Cc1c(cccc1Cl)NC(=O)CCCN2C(=O)c3c(c(n(n3)c4ccccc4)C)C(=N2)C	5KP	n-(3-chloro-2-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6h-pyrazolo[3,4-d]pyridazin-6-yl)butanamide
+CC(=O)NC[C@@H]([C@@H]([C@H]1[C@@H]([C@H](C[C@@](O1)(C(=O)O)O)O)NC(=O)C)O)O	5KQ	(6r)-5-acetamido-6-[(1s,2s)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-l-threo-hex-2-ulopyranosonic acid
+Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)Br)C(=O)Nc3ccccc3C(=O)O	5KR	2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid
+c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6ccc(cc6)F)O)CO)O)F	5KS	3-deoxy-3-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-1-thio-beta-d-galactopyranoside
+c1cscc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6ccsc6)O)CO)O	5KT	3-deoxy-3-[4-(thiophen-3-yl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranoside
+CC(=O)N[C@H]1[C@@H](C=C(O[C@H]1[C@@H]([C@H](CO)O)OC(=O)NCCOCCOC)C(=O)O)N=C(N)N	5KU	(6r)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11r,12s)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-d-threo-hex-2-enonic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O	5KV	2-deoxy-6-o-sulfo-2-(sulfoamino)-beta-d-glucopyranose
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4ccccc4NC(=O)CCl)Cl	5KW	2-chloro-n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide
+c1cnc([nH]1)Cl	5KX	2-chloro-1h-imidazole
+Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)C(F)(F)F)C(=O)O	5KY	2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid
+CC(=O)OC[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C	5KZ	(1s)-2,3,4,6-tetra-o-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-d-allitol
+CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4cccc5n4ccn5	5L0	1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone
+CC(=O)OC[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)S(=O)(=O)N2C[C@@H](C[C@H]2C(=O)OC)OS(=O)(=O)N)O)O)O	5L2	methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carb  oxylate
+CC(=O)O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)CO)O)O	5L3	(6r)-5-o-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-l-glucitol
+c1cc(ccc1CCO)c2cnc(c(n2)C(=O)Nc3cnccc3N4CCOCC4)N	5L4	3-amino-6-[4-(2-hydroxyethyl)phenyl]-n-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide
+C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)CCCCC#C)C)\C)OC	5L5	(1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate
+CC(C)Oc1ccc(cc1)c2c[nH]cc2CN(C)CCN	5L6	n-methyl-n-({4-[4-(propan-2-yloxy)phenyl]-1h-pyrrol-3-yl}methyl)ethane-1,2-diamine
+Cc1c(cccc1OCc2cccnc2c3ccnn3C(C)C)O	5L7	2-methyl-3-({2-[1-(propan-2-yl)-1h-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol
+c1ccc(c(c1)C[C@@](Cn2cncn2)(C3(CC3)Cl)O)Cl	5L8	(2~{r})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
+c1ccc(c(c1)C[C@](Cn2cncn2)(C3(CC3)Cl)O)Cl	5L9	(2~{s})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
+c1c2cc(sc2[nH]c1C(=O)O)Cl	5LA	2-chloranyl-6~{h}-thieno[2,3-b]pyrrole-5-carboxylic acid
+c1c(nnn1CCN)C[C@@H](C(=O)O)N	5LB	(2~{s})-2-azanyl-3-[1-(2-azanylethyl)-1,2,3-triazol-4-yl]propanoic acid
+c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O	5LC	n,n'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)
+c1ncn(n1)C[C@H](CP(=O)(O)O)O	5LD	[(2r)-2-hydroxy-3-(1h-1,2,4-triazol-1-yl)propyl]phosphonic acid
+c1c(nnn1CCCN)C[C@@H](C(=O)O)N	5LE	(2~{s})-2-azanyl-3-[1-(3-azanylpropyl)-1,2,3-triazol-4-yl]propanoic acid
+c1c(nnn1CCCCCCN)C[C@@H](C(=O)O)N	5LF	(2~{s})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoic acid
+CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCn2cc(nn2)C[C@@H](C(=O)N1)NC(=O)OCc3ccccc3)CO	5LG	(phenylmethyl) ~{n}-[(8~{s},11~{s},14~{s})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate
+CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCn2cc(nn2)C[C@@H](C(=O)N1)NC(=O)OCc3ccccc3)CO	5LH	(phenylmethyl) ~{n}-[(9~{s},12~{s},15~{s})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate
+c1cc(c(c(c1)Cl)Cl)C(=O)NCCN(C=O)O	5LI	2,3-dichloro-n-{2-[formyl(hydroxy)amino]ethyl}benzamide
+c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO	5LJ	(phenylmethyl) ~{n}-[(12~{s},15~{s},18~{s})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate
+CN1CCN(CC1)c2cccc(c2)c3cnn4c3N=C[C@H](C4N)c5ccc(cc5)O	5LK	4-{(6r,7r)-7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl}phenol
+c1cc(oc1)/C=C/C=C2C(=O)NC(=O)NC2=O	5LL	5-[(e)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
+c1cc(sc1)/C=C/C=C2C(=O)NC(=O)NC2=O	5LM	5-[(e)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
+C(O)[Ru](CO)(O)(O)Cl	5LN	chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium
+CC1(CCC(c2c1cc3c(c2)O[C@H]4[C@@]3(CCC4)c5ccc(cc5)C(=O)O)(C)C)C	5LO	4-[(11s,15r)-4,4,7,7-tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid
+Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)Cl)C(=O)O	5LP	2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid
+CC1=C(S(=O)(=O)N=C1NCCCN2CCOCC2)c3cccc(c3)Cl	5LQ	5-(3-chlorophenyl)-4-methyl-~{n}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine
+CC1=C(S(=O)(=O)N=C1NCCCN2CCc3ccccc3C2)c4ccc(cc4)Cl	5LR	5-(4-chlorophenyl)-~{n}-[3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O	5LS	2,4-di-o-sulfo-alpha-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	5LT	3,4-di-o-sulfo-alpha-d-glucopyranose
+CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2	5LU	prochloraz
+CC1=Cc2c(cnc(c2NC1=O)NC3CCN(CC3)CCCN)c4cc(cnc4)CO	5LV	8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{h}-1,7-naphthyridin-2-one
+C[C@H]1CO[C@@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl	5LW	1-[[(2~{s},4~{s})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
+C[C@H]1CO[C@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl	5LX	1-[[(2~{r},4~{s})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
+C[C@@H]1CO[C@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl	5LY	1-[[(2~{r},4~{r})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
+C[C@@H]1CO[C@@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl	5LZ	1-[[(2~{s},4~{r})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
+Cc1ccc(c(c1)C(=O)O)N	5M0	2-azanyl-5-methyl-benzoic acid
+Cc1ccc([nH]1)C(=O)O	5M1	5-methyl-1h-pyrrole-2-carboxylic acid
+Cc1c2cc[nH]c2ccc1C(=O)/C=C(/C(=O)O)\O	5M2	(~{z})-4-(4-methyl-1~{h}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid
+Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)NC[C@H]4CCCO4	5M6	1-(4-chlorophenyl)-3-methyl-~{n}-[[(2~{r})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide
+c1ccc(cc1)c2c3cc(ccc3nc(c2C(=O)O)N4CCCCC4)Cl	5M7	6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
+Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O	5M8	6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid
+Cc1cc(c(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C)Cl	5M9	6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
+c1cc2c([nH]nc2nc1)Cn3c4ccc(c(c4nn3)Oc5cc(cc(c5Cl)CN)Cl)Cl	5MA	1-(2,5-dichloro-3-{[5-chloro-1-(2h-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1h-benzotriazol-4-yl]oxy}phenyl)methanamine
+Cc1ccc2c(c1)[nH]cn2	5MB	5-methylbenzimidazole
+CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	5MC	5-methylcytidine-5'-monophosphate
+CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O	5MD	2'-deoxy-1-methyl-pseudouridine
+C[C@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	5ME	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1r)-1-(pyridin-2-yl)ethyl]propanamide
+CCc1cnc(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C	5MF	8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
+c1ccc(cc1)c2c(nc([nH]2)Cl)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F	5MG	3-(2-chloranyl-5-phenyl-1~{h}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one
+CC1=CN(C(=S)C=C1)O	5MH	1-hydroxy-5-methylpyridine-2(1h)-thione
+Cc1ccc2c(c1)cc[nH]2	5MI	5-methyl indole
+CC1=C(CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(cc3)OC	5MJ	3-chloranyl-~{n}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide
+c1cc(c(cc1Cl)C(=O)N)N	5MK	2-azanyl-5-chloranyl-benzamide
+Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4cc5ccccc5nc4	5ML	3-methyl-~{n}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide
+CO[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	5MM	2-o-methyl-1,6-di-o-phosphono-d-mannitol
+Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4ccc5c(c4)cc[nH]5	5MN	~{n}-[5-(1~{h}-indol-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide
+Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4ccc5c(c4)CCO5	5MO	n-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
+Cc1cc[nH]c1	5MP	5-methylpyrrole
+Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4cccc5c4OCC5	5MQ	n-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
+c1ccc(cc1)c2cc(on2)C[C@H](C[P@@](=O)(c3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N	5MR	nalpha-{(2s)-3-[(s)-hydroxy(phenyl)phosphoryl]-2-[(3-phenylisoxazol-5-yl)methyl]propanoyl}-l-tryptophanamide
+Cc1ccc(cc1NS(=O)(=O)C)Nc2cc(ncn2)c3ccccc3	5MS	n-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
+C[C@@H](c1nc2ccc(cc2n1c3cccc(c3)S(=O)(=O)C)F)Nc4c(c(ncn4)N)C#N	5MT	4-azanyl-6-[[(1~{s})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	5MU	5-methyluridine 5'-monophosphate
+C[C@@H](c1ccc(cc1)C(=O)NCCC(=O)O)n2c(cc(n2)c3cc(cc(c3)Cl)Cl)c4ccc5cc(ccc5c4)OC	5MV	3-[[4-[(1~{s})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid
+c1c(nnn1CCC[C@@H](C(=O)O)N)CN	5MW	(2~{s})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid
+c1ccc(cc1)COC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N	5MX	benzyl (2-{[(2-amino-4-oxo-3,4-dihydropteridin-7-yl)carbonyl]amino}ethyl)carbamate
+C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	5MY	myo-inositol-(1,3,4,5,6)-pentakisphosphate
+c1cc(cc(c1)N)c2nc(on2)CCl	5MZ	3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline
+Cn1ccnc1C(=O)Nc2cn(c(n2)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCC[C@H](C(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCCN(C)CCCNC(=O)c9cccc(c9)C(=O)O)C)N)C	5N0	3-({3-[(3-{[4-({4-[(4-{[4-({(2r)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1h-imidazole-2-carbonyl)amino]-1h-imidazole-2-carbonyl}amino)-1h-pyrrole-2-carbonyl]amino}-1h-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1h-imidazole-2-carbonyl]amino}-1-methyl-1h-pyrrole-2-carbonyl)amino]-1-methyl-1h-pyrrole-2-carbonyl}amino)-1-methyl-1h-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc3c2OCO3)c4ccncc4	5N1	6-ethyl-5-[(3~{s})-3-(6-pyridin-4-yl-1,3-benzodioxol-4-yl)but-1-ynyl]pyrimidine-2,4-diamine
+c1ccc2c(c1)C(=NNC2=O)Cc3cccc(c3)C(=O)N4CCN(CC4)c5c(cccn5)C#N	5N2	2-[4-[3-[(4-oxidanylidene-3~{h}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile
+CC1(c2c(c(nc(n2)c3c[nH]nc3)Nc4c5cccc(c5[nH]n4)Cl)CO1)C	5N3	~{n}-(7-chloranyl-1~{h}-indazol-3-yl)-7,7-dimethyl-2-(1~{h}-pyrazol-4-yl)-5~{h}-furo[3,4-d]pyrimidin-4-amine
+CC1(c2c(c(nc(n2)c3ccnn3C)Nc4c5ccccc5[nH]n4)CO1)C	5N4	~{n}-(1~{h}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{h}-furo[3,4-d]pyrimidin-4-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N	5N5	5'-amino-5'-deoxyadenosine
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)O)O	5N6	9-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN4CCN(CCC(=O)Nc5ccc(cc5)C[C@H](C(=O)N2)NS(=O)(=O)NC6CCCCC6)CC4)/N	5N7	(13s,16r)-n-(4-carbamimidoylbenzyl)-16-((n-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide
+C[C@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)c3cccc(c3)C(C4=NNC(=O)c5c4cccc5)(F)F	5N8	4-[bis(fluoranyl)-[3-[[(6~{s})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{h}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{h}-phthalazin-1-one
+Cc1cccc2c1ccc(c2C(=O)O)O	5NA	2-hydroxy-5-methyl naphthoic acid
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N	5NB	5'-amino-8-bromo-5'-deoxyadenosine
+C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)COP(=O)(O)O)O	5NC	5-aza-cytidine-5'monophosphate
+c1ccc2cc(ccc2c1)C[C@@H]3C(=O)NC(=O)N3	5ND	5-(2-naphthylmethyl)-d-hydantoin
+Cc1cccc2c1cccc2C(=O)O	5NE	5-methylnaphthalene-1-carboxylic acid
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O	5NG	[[(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-4-[[3-[2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+CCCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N(C)C)NC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)[C@H](C4CCCCC4)NC(=O)OC(C)(C)C	5NH	1,1-dimethylethyl [1-cyclohexyl-2-[3-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]pentyl]amino]carbonyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]carbamate
+c1cc2c(cc1[N+](=O)[O-])cn[nH]2	5NI	5-nitroindazole
+Cc1c(c(c(cn1)COP(=O)(O)O)CCC(=O)CCC(=O)O)O	5NJ	6-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-4-oxidanylidene-hexanoic acid
+Cc1cccc2c1nc(n2Cc3c(ccc(n3)C)O)NC4CCN(CC4)CCN	5NK	2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
+c1ccc2cc(ccc2c1)C[C@H]3C(=O)NC(=O)N3	5NL	5-(2-naphthylmethyl)-l-hydantoin
+CS(=O)(=O)CCCn1c2ccc(cc2nc1CN3c4cnccc4N(C3=O)C5CC5)Br	5NM	3-[[5-bromanyl-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-imidazo[4,5-c]pyridin-2-one
+c1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2	5NN	5-amino-3-phenyl-1,2-dihydroisoquinolin-1-one
+c1ccc2c(c1)nc(n2CCCCO)CN3c4cnccc4N(C3=O)C5CC5	5NO	1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
+c1cc(cnc1)C(=O)N2CCN3[C@]2(c4cnccc4C3=O)c5ccc(cc5)Cl	5NP	(9~{b}~{r})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one
+CCCCc1c(nc2nc(nn2c1C)SCc3nc4c(n3CC)C(=O)NC(=O)N4CCCC)C	5NQ	3-butyl-8-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione
+c1ccc(cc1)CC2CCN(CC2)CCN	5NR	2-[4-(phenylmethyl)piperidin-1-yl]ethanamine
+c1cc2c(cccc2S(=O)(=O)O)c(c1)N	5NS	5-aminonaphthalene-1-sulfonic acid
+c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H](C[C@H](N3)CO)O	5NT	2-azanyl-7-[(2~{s},3~{r},5~{s})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
+C1=C(C(=O)NC(=O)N1)[N+](=O)[O-]	5NU	5-nitrouracil
+CCn1c(nc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl)CSc4[nH]nc(n4)N	5NV	8-[(3-azanyl-1~{h}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione
+CC(C)(C)CNc1c2c(ccn1)cnc(n2)Nc3ccc(cc3OC)c4cnn(c4)C	5NW	n2-(2-methoxy-4-(1-methyl-1h-pyrazol-4-yl)phenyl)-n8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
+c1cc(cc(c1)Cl)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNC5=C(C(=O)C5=O)O)O)O	5NX	3-[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{h}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione
+Cc1ccc2c(c1)c(c3n2C[C@](CC3)(c4ccccc4)NC(=O)c5ccc(cc5Cl)n6cnnc6)c7[nH]nnn7	5NY	2-chloranyl-~{n}-[(7~{s})-2-methyl-7-phenyl-10-(1~{h}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{h}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide
+c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N	5NZ	6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine
+c1cc(cc(c1)S(=O)(=O)Oc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl	5O0	4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid
+Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)NC5CCCCC5	5O1	~{n}8-cyclohexyl-~{n}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
+c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N	5O2	6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine
+c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl	5O3	4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid
+c1ccc(cc1)c2c3c(ccnc3c4ccoc4)n[nH]2	5O4	4-(furan-3-yl)-3-phenyl-2~{h}-pyrazolo[4,3-c]pyridine
+c1cc(c(cc1OCc2[nH]nnn2)Cl)Cl	5O5	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{h}-1,2,3,4-tetrazole
+C/C(=C\C(=O)O)/c1ccc(cc1)OC	5O6	(~{e})-3-(4-methoxyphenyl)but-2-enoic acid
+Cn1cc(cn1)c2c3c(ccn2)cnc(n3)Nc4ccc(cc4OC)OC	5O7	~{n}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
+c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNS(=O)(=O)C(F)(F)F)O)O	5O8	~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-1~{h}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-1,1,1-tris(fluoranyl)methanesulfonamide
+C[C@@H]1CN(C[C@@H](N1)C)c2ncc(c(n2)N)c3cccc(c3Cl)Cl	5OA	5-[2,3-bis(chloranyl)phenyl]-2-[(3~{r},5~{s})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine
+COc1ccc2c(c1)[nH]cn2	5OB	5-methoxybenzimidazole
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)O)COP(=O)(O)O)O	5OC	2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate)
+CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N	5OD	6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine
+Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)c5cnn(c5)C	5OE	~{n}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
+c1ccc2c(c1)C(=NNC2=O)CC(=O)O	5OF	2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanoic acid
+c1ccc(cc1)NS(=O)(=O)c2cccc(c2)/C=C/C(=O)NO	5OG	belinostat
+C1[C@@H](NC(=N[C@H]1O)N)[C@@H](C(=O)O)N	5OH	(2s)-amino[(4r,6s)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid
+CCc1c2cc(ccc2nc(n1)[C@H](CC(C)C)N)c3cnco3	5OI	(1s)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
+c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO	5OJ	4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{n}-oxidanyl-benzamide
+c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C#C/C=C/C(=O)NO	5OK	oxamflatin
+CC(NCCCC[C@@H](C(=O)O)N)(O)O	5OL	n~6~-(1,1-dihydroxyethyl)-l-lysine
+C1[C@H](O1)C(CCCCC[C@@H](C(=O)O)N)(O)O	5OM	(2s)-2-amino-8,8-dihydroxy-8-[(2s)-oxiran-2-yl]octanoic acid
+c1cc(cc(c1)COc2cccc(c2)/C=C/C(=O)O)CC(=O)O	5ON	(~{e})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid
+c1cc(c(cc1Cl)Cl)/C=C/C(=O)O	5OO	(~{e})-3-(2,4-dichlorophenyl)prop-2-enoic acid
+CCCCCC(=O)\C=C\[C@@H]1[C@@H](CC(=O)[C@H]1CC=CCCCC(=O)O)O	5OP	(5e,13e)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid
+Cn1cc(cn1)c2cccc3c2cc(nc3)Nc4ccc(cc4OC)OC	5OQ	~{n}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
+c1cc(ccc1c2c(n3cc(ccc3n2)O)I)O	5OR	2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol
+c1cc(c(cc1O)Cl)c2cocc2c3ccc(cc3Cl)O	5OS	3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol
+c1cc(cc(c1)I)NC(=S)Nc2ccc(cc2)S(=O)(=O)N	5OT	1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea
+CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl	5OU	3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione
+Cc1c(c(c(cn1)COP(=O)(O)O)/C(=N/[C@@H](CS)C(=O)O)/NCCCC[C@@H](C(=O)O)N)O	5OW	(2~{s})-2-azanyl-6-[[(~{z})-~{c}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{n}-[(2~{r})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid
+CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCC(=O)O	5OX	(7e,11z,14z,17z,20z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid
+C(C[C@@H](C(=O)O)N)CP(=O)(O)O	5OY	5-phosphono-l-norvaline
+CC(C)C=O	5OZ	2-methylpropanal
+c1cc(ccc1c2c(n3cc(ccc3n2)O)C(F)(F)F)O	5P1	2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol
+CCN1CC(C1)n2c(ccn2)c3cc(ccc3Oc4ccc(cc4C#N)S(=O)(=O)Nc5ncns5)C(F)(F)F	5P2	3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{n}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
+c1ccc(cc1)c2cc(c(c(c2)Cl)O)C(=O)O	5P3	5-chloro-4-hydroxybiphenyl-3-carboxylic acid
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccco3)NC(=O)OC(C)C	5P4	propan-2-yl ~{n}-[(2~{s},4~{r})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{h}-quinolin-4-yl]carbamate
+CCCC(=O)OC[C@H](CO[P@](=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC	5P5	(2r)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate
+CC(C)C[C@@H](c1cc(c2cc(ccc2n1)c3ccncc3)C#N)N	5P6	2-[(1s)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile
+c1ccc2c(c1)c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO	5P7	(1s,2r,3r,5r)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F	5P8	(10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile
+c1ccc2c(c1)[C@@H](CC2=O)C(=O)Nc3ccc(cn3)Cl	5P9	n-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1h-indene-1-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O	5PA	n-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-y-lmethyl]-1-amino-cyclopropanecarboxylic acid
+c1ccc(cc1)COc2ccc(cc2)N3C(=O)NN=C3SCC(=O)c4ccc(cc4)Cl	5PB	4-[4-(benzyloxy)phenyl]-5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,4-dihydro-3h-1,2,4-triazol-3-one
+CC#CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5PC	5(1-propynyl)-2'-deoxycytidine-5'-monophosphate
+CC(C)(COP(=O)O)[C@H](C(=O)NCCC(=O)NCCS)O	5PD	(r)-3-hydroxy-4-((3-((2-mercaptoethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl hydrogen phosphonate
+COc1cc(ccc1O)[C@@H]2N(C(=O)CS2)Cc3ccccn3	5PE	(2r)-2-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
+c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@H](C4CCCCC4)O	5PF	(1~{r})-1-cyclohexyl-2-[(5~{s})-6-fluoranyl-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanol
+CN[C@@H](c1ccc(cc1)O)C(=O)O	5PG	(2s)-(4-hydroxyphenyl)(methylamino)ethanoic acid
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCCCNS(=O)(=O)c1ccc(c(c1)C(=O)O)O)c2ccccc2	5PH	5-[5-(1-carboxymethyl-2-oxo-propylcarbamoyl)-5-phenyl-pentylsulfamoyl]-2-hydroxy-benzoic acid
+CCCOc1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N)NS(=O)(=O)CC	5PI	n-(ethylsulfonyl)-5-propoxy-l-tryptophyl-n~1~-{4-[amino(imino)methyl]benzyl}-l-glutamamide
+c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)CC(=O)C4CCCCC4	5PJ	1-cyclohexyl-2-[(5~{s})-6-fluoranyl-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanone
+c1ccc2c(c1)-c3cncn3[C@H]2C[C@H](C4CCCCC4)O	5PK	(1~{r})-1-cyclohexyl-2-[(5~{s})-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanol
+CCCCCCCCCCCCCCCCCCCNC(=O)[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)OP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C	5PL	(1r,4s,6r)-6-({[2-(acetylamino)-2-deoxy-alpha-d-glucopyranosyl]oxy}methyl)-4-hydroxy-1-{[(15-methylhexadecanoyl)oxy]methyl}-4-oxido-7-oxo-3,5-dioxa-8-aza-4-phosphaheptacos-1-yl 15-methylhexadecanoate
+c1ccnc(c1)\C=N\c2ccc(cc2)Sc3ccc(cc3)/N=C/c4ccccn4	5PM	4,4'-sulfanediylbis{n-[(1e)-pyridin-2-ylmethylidene]aniline}
+Cc1c(c2c(cn1)C(=O)OC2)O	5PN	7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1h)-one
+CCCCCc1ccc(c(c1)O)Oc2ccccc2	5PP	5-pentyl-2-phenoxyphenol
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC4=C(C(=O)C4=O)O)O)O	5PQ	3-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione
+Cc1c(c(c(cn1)C(=O)O)CO)O	5PR	5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F	5PS	(r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide
+c1cc(ccc1C[C@@H](CCC(=O)NO)C(=O)O)C(=O)O	5PU	4-[(2~{r})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid
+c1ccc(cc1)CCCCC(=O)O	5PV	5-phenylvaleric acid
+CC(=O)Nc1nc2ccc(cc2s1)[N+](=O)[O-]	5PW	n-(6-nitro-1,3-benzothiazol-2-yl)ethanamide
+c1cc2c(cc1O)S(=O)(=O)NCN2C3CC3	5PX	4-cyclopropyl-3,4-dihydro-7-hydroxy-2h-1,2,4-benzothiadiazine 1,1-dioxide
+CC1=CN(C(=O)N=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5PY	1-(2'-deoxy-5'-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methylpyrimidin-2(1h)-one
+[H]/N=C\1/N(c2ccccc2N1C[C@@H](c3ccc(c(c3)Cl)Cl)O)Cc4ccccc4C	5PZ	(1~{r})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol
+c1cc2c(cccn2)c(c1)O	5Q0	quinolin-5-ol
+c1cc(ccc1C[C@H](CCC(=O)NO)C(=O)O)C(=O)O	5Q1	4-[(2~{s})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid
+CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)NCCc4ccc(cc4)Cl	5Q2	4-[2-(4-chlorophenyl)ethylamino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide
+CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccnc(n4)N	5Q3	4-[(2-azanylpyrimidin-4-yl)amino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide
+CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccccc4OC	5Q4	4-[(2-methoxyphenyl)amino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide
+Cc1ccccc1NC(=S)N	5Q5	1-(2-methylphenyl)thiourea
+c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3cccc(c3O)O	5Q6	[2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone
+CC(C)Cc1nc(c(o1)N)C#N	5Q7	5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
+c1ccc(cc1)Cc2nc(c(o2)N)C#N	5Q8	5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile
+CC(=O)N(C)Cc1c(cccc1Cl)Cl	5Q9	~{n}-[[2,6-bis(chloranyl)phenyl]methyl]-~{n}-methyl-ethanamide
+c1cc(c(c(c1)Cl)CNC(=O)CO)Cl	5QA	~{n}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide
+CC(=O)NCc1c(cccc1OC)OC	5QB	~{n}-[(2,6-dimethoxyphenyl)methyl]ethanamide
+c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6ccc7c(c6)c(no7)N)C4=O	5QC	1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-{[(3r)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one
+CC(=O)NCc1c(cccc1Cl)Cl	5QD	~{n}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide
+C[C@@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C)C#N)CC(OC3)(C)C	5QE	~{n}-[4-[2-[[5-cyano-8-[(2~{s},6~{r})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]ethanamide
+CC1(Cc2c(c(nc(c2C#N)SCCc3ccc(c(c3)OC)OC)N4CCN(CC4)CCOC)CO1)C	5QF	6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
+CC1(Cc2c(c(nc(c2C#N)SCCc3ccccc3)N4CCOCC4)CO1)C	5QG	3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
+c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cccc(c3)c4ccccn4)O	5QH	~{n}-[(2~{s})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-pyridin-2-yl-benzamide
+CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC(F)F)c2cnco2)N	5QI	n-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-d-leucinamide
+Cn1cnc2c1cc(cc2)c3ccnc(c3)NC[C@@H](CN4CCc5ccccc5C4)O	5QJ	(2~{s})-1-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol
+c1ccc2c(c1)CCN(C2)C[C@@H](CNC(=O)COc3cccc4c3nccc4)O	5QK	~{n}-[(2~{r})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-2-quinolin-8-yloxy-ethanamide
+c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cccc(c3)NC4CCOCC4)O	5QL	~{n}-[(2~{s})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(oxan-4-ylamino)benzamide
+c1cc(cc2c1ccnc2)C#CCO	5QM	3-(isoquinolin-7-yl)prop-2-yn-1-ol
+CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCN=CC3)C(=O)C	5QN	methyl 2-[2-(3,5-dihydro-2~{h}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate
+Cc1c2nc3c(cccc3n1)-c4cc5c([nH]4)[C@@H](C/C=C\[C@H](N2)C)CNC5=O	5QO	 macrocyclic quinoxaline-pyrrolodihydropiperidinone
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O	5QP	(1r,2r,3s,5r,6s)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-d-glucopyranoside
+c1cc2cc(ccc2nc1)C(c3nnc4n3nc(cn4)c5ccc(cc5)F)(F)F	5QQ	6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
+CN1C=C(C=CC1=O)C(=O)Nc2cccc(c2)C(=O)O	5QR	3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid
+CC(C)(CNc1ncc(c(n1)CC2CC2)c3ccnc(n3)Nc4ccncc4)O	5QS	1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol
+CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S	5QT	2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{h}-1,2,4-triazin-6-yl)amino]ethanoate
+Cc1c(c(on1)C)[C@@H]2C[C@H](N[C@H](S2)N)c3cc(c(cc3F)F)c4cncnc4	5QU	(2~{r},4~{s},6~{s})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine
+Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3cc(c(cc3F)F)c4cncnc4	5QV	(4~{s},6~{s})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
+C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)N3CCOCC3	5QW	~{n}-[(2~{s})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{h}-1,5-benzothiazepine-7-carboxamide
+CN1c2ccccc2NCC1=O	5QX	1-methyl-3,4-dihydroquinoxalin-2-one
+C[C@H]1C(=O)Nc2ccccc2N1	5QY	(3~{s})-3-methyl-3,4-dihydro-1~{h}-quinoxalin-2-one
+CN(C)C(=O)c1cccc(c1)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	5QZ	5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid
+CC(C)(C)c1ccc(cc1)C(=O)O	5R0	4-~{tert}-butylbenzoic acid
+COc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N	5R1	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid
+CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@@H]5/C=C/CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6CC6	5R2	2-methyl-2-propanyl {(2r,6s,12z,13as,14ar,16as)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+COC(=O)[C@H](CO)N	5R5	methyl l-serinate
+C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7C[C@@H]([C@@H]([C@@]6(O7)C)O)N(C)C)O)C4=O)O)C(=O)OC)(C)O)O)O	5R6	nogalamycin ro
+C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N	5R7	(2~{s},3~{r})-3-methyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(sulfamoylamino)meth yl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CN1CCCN(CC1)Cc2ccc(cc2)CN	5R8	[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
+CN1CCCN(CC1)Cc2ccc3c(c2)cccn3	5R9	6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline
+CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(cc3C#N)CN4CCCN(CC4)C	5RA	5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile
+CCC[C@@H]1CCCCN1C(=O)c2cccc(c2)c3cccc(c3)n4c(c(cn4)C(=O)O)[C@@H]5C[C@H]5c6cn(nn6)C	5RB	5-[(1~{r},2~{r})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{r})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid
+CCc1c(cc(s1)C(=O)N[C@@H]2[C@@H](CCCC2(F)F)N)c3cnn4c3ncc(c4)C(F)(F)F	5RC	~{n}-[(1~{r},6~{r})-6-azanyl-2,2-bis(fluoranyl)cyclohexyl]-5-ethyl-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
+CCCCNCc1ccc(cc1)S(=O)(=O)N	5RD	4-(butylaminomethyl)benzenesulfonamide
+C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)F)NC(=O)Cc3cccc(c3)O	5RE	(2~{s})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{n}-[(1~{s})-1-phenylethyl]propanamide
+C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccccc2Br)NC(=O)Cc3ccc(cc3)OC	5RF	(2~{s})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{n}-[(1~{s})-1-phenylethyl]propanamide
+c1cc(c(cc1F)C(=O)O)N	5RG	2-amino-5-fluorobenzoic acid
+C[C@@H]1CCC[C@H](/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)Cc4ccccc4)C)O)O	5RH	cytochalasin b
+CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC	5RI	n-methyl-2-[[4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]benzamide
+CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O	5RL	6-methyl-5,6,6~{a},7-tetrahydro-4~{h}-dibenzo[de,g]quinoline-10,11-diol
+CCCOc1cc(ccc1OC)[C@@]2(CNC(=O)O2)C	5RM	(5r)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one
+CC(=O)c1c[nH]c2c1cccc2	5RN	1-(1~{h}-indol-3-yl)ethanone
+Cc1cccc2c1[nH]cc2C(=O)C	5RO	1-(7-methyl-1~{h}-indol-3-yl)ethanone
+C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O	5RP	ribulose-5-phosphate
+CCCC[C@@H]1CCCN1C(=O)[C@H]2CCC[C@H](C2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5	5RQ	1-[3-[(1~{r},3~{s})-3-[(2~{r})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid
+CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@]4(C[C@H]4CC)C(=O)NS(=O)(=O)C5CC5	5RS	~{tert}-butyl ~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[(1~{r},2~{r})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+Cn1ccc2c1cccc2S(=O)(=O)N(CC(F)(F)F)c3ccc4c(c3)CCCN4C(=O)c5cccs5	5RT	1-methyl-~{n}-(1-thiophen-2-ylcarbonyl-3,4-dihydro-2~{h}-quinolin-6-yl)-~{n}-[2,2,2-tris(fluoranyl)ethyl]indole-4-sulfonamide
+c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)F	5RU	2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one
+c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)N=C(N3)N)C#N	5RV	2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile
+c1cc(ccc1CSc2[nH]c3c(n2)N=C(NC3=O)N)F	5RW	2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one
+c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Cl	5RX	2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one
+c1cc(c(cc1C#N)F)CSc2[nH]c3c(n2)C(=O)NC(=N3)N	5RY	4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile
+c1cc(ccc1C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Br	5RZ	2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one
+CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)N	5S4	[(3~{r})-4-[[3-[2-[[(2~{s})-2-azanyl-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
+Cc1cc(c(cc1OC)C)CNC[C@H](c2ccccc2)NC(=O)c3cc(on3)C	5S5	~{n}-[(1~{s})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide
+Cc1cc(c(cc1OC)C)CNC[C@H](c2ccc(cc2)C#CCO)NC(=O)c3cc(on3)C	5S6	~{n}-[(1~{s})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
+CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)N)O)O	5S7	(2~{r},3~{r},4~{s},5~{s})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
+Cc1c(sc(n1)NC(=O)C2CCCC2)c3ccc(c(c3)S(Nc4ccc(cc4)O)(O)O)OC	5S8	~{n}-[5-[3-[[(4-hydroxyphenyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-4-methoxy-phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
+Cn1c(ccn1)C(=O)Nc2ccc(cc2F)F	5S9	~{n}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO	5SA	acarbose derived pentasaccharide
+CC(=O)Nc1ccc(c2c1nccc2)c3c[nH]nc3	5SB	~{n}-[5-(1~{h}-pyrazol-4-yl)quinolin-8-yl]ethanamide
+Cc1ccccc1c2cc(n3c(n2)c(cn3)Br)NCc4ccc[n+](c4)[O-]	5SC	3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide
+C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	5SD	5alpha-androstan-3,17-dione
+C[Se]C1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5SE	2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate)
+CC(C)NCCN(c1ccc2c(c1)nc(cn2)c3cnn(c3)C)c4cc(cc(c4)OC)OC	5SF	~{n}'-(3,5-dimethoxyphenyl)-~{n}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{n}-propan-2-yl-ethane-1,2-diamine
+c1cc2cnccc2c(c1)O	5SG	isoquinolin-5-ol
+c1ccc(cc1)c2ccncc2	5SH	4-phenylpyridine
+Cc1ccc2c(c1)C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O	5SI	2-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-6-methylisoquinoline-1(2h)-thione
+CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](N2)C	5SJ	ethyl (2~{r})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{h}-quinoxaline-6-carboxylate
+CC[C@@H](C)Nc1c2nnc(n2c3ccccc3n1)C	5SK	~{n}-[(2~{r})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
+Cc1ccc(cc1)Cc2nc(on2)[C@H]3CC[C@@H](C3)Nc4c5cn[nH]c5ncn4	5SL	~{n}-[(1~{s},3~{s})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{h}-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1nccn1Cc2cc(cnn2)c3ccc(c(c3)C(F)F)F	5SM	5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine
+Cc1cc2nnc(n2c3c1cccc3)C	5SN	1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@H]4[C@@H]([C@H]([C@H]5[C@H](O4)COC(O5)(C)C)O)O)C(C)C)C)COC	5SO	fusicoccin a-thf derivative
+C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O	5SP	5-o-phosphono-d-xylulose
+c1cc(ccc1C=C2C(=O)N(C(=N2)[C@H](Cc3c[nH]cn3)N)CC(=O)O)O	5SQ	2-[2-[(1s)-1-azanyl-2-(1h-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)O)CCOP(=O)(O)OP(=O)(O)[O-]	5SR	[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-carboxy-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate
+c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)c(n[nH]4)O)NC(=O)C5CCC(CC5)CN	5SS	4-(aminomethyl)-~{n}-[(1~{s})-1-[4-(3-oxidanyl-1~{h}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide
+COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)C4CCC(CC4)CN	5ST	methyl ~{n}-[4-[2-[(1~{s})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
+COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	5SU	methyl ~{n}-[4-[2-[(1~{s})-1-[[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
+CCCCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	5SV	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl icosyl hydrogen phosphate
+CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC	5SW	4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one
+CC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)OCC2=Cc3ccccc3OC2=O	5SY	[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate
+Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)N4C=Cc5c(cccn5)C4=O)F	5SZ	6-[(1~{r})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
+CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3	5T0	3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one
+C[C@H](c1nnc2n1cc(cc2F)c3cnn(c3)C)N4C=Cc5c(cc(cn5)OCCOC)C4=O	5T1	6-[(1~{r})-1-[8-fluoranyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one
+c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3	5T2	2-(pyridin-4-ylmethylamino)-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CCN(CCCC[C@@H](C(=O)O)N)C(C)C	5T3	n~6~-ethyl-n~6~-propan-2-yl-l-lysine
+c1cnc(nc1)N2CCC(CC2)CNC(=O)N3CCCC3	5T4	~{n}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
+c1cc(ccc1[C@]2(COC(=N2)N)[C@@H]3C[C@H]3C(=O)c4cc(cnc4)Cl)OC(F)F	5T5	[(1~{r},2~{r})-2-[(4~{s})-2-azanyl-4-[4-[bis(fluoranyl)methoxy]phenyl]-5~{h}-1,3-oxazol-4-yl]cyclopropyl]-(5-chloranylpyridin-3-yl)methanone
+Cc1cc(ccc1OC(F)F)[C@]2(COC(=N2)N)c3cccc(c3)c4cc(cnc4)Cl	5T6	(4~{s})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{h}-1,3-oxazol-2-amine
+C[C@]1(C(COC(=N1)N)(F)F)[C@@H]2C[C@H]2C(=O)Nc3cccc4c3ncc(c4)Cl	5T7	(1~{r},2~{r})-2-[(4~{r})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{h}-1,3-oxazin-4-yl]-~{n}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide
+C[C@]1(COCC(=N1)N)c2cccc(c2)Nc3cccc4c3ncc(c4)Cl	5T8	(5~{r})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
+[H]/N=C\C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CNC3)c4ccc(cn4)Cl)S(c5ccc(cc5Cl)OC)(O)O	5T9	(2~{s},4~{r})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{n}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+c1cc(cc(c1)OC[C@@H]2CN(C(=O)O2)c3cccc(c3)C#Cc4cccnc4Cl)CN	5TA	(5~{s})-5-[[3-(aminomethyl)phenoxy]methyl]-3-[3-[2-(2-chloranylpyridin-3-yl)ethynyl]phenyl]-1,3-oxazolidin-2-one
+CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3	5TB	3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one
+c1cc(ccc1CNC(=O)CCC2CCN(CC2)c3ccc(cc3)C#N)N4CCCCC4	5TC	3-[1-(4-cyanophenyl)piperidin-4-yl]-~{n}-[(4-piperidin-1-ylphenyl)methyl]propanamide
+c1cc(ccc1C#N)N2CCC(CC2)CCC(=O)N3CCCC3	5TD	4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile
+c1cc(cc(c1)N2CCCCC2)NC(=O)CCC3CCCC3	5TE	3-cyclopentyl-~{n}-(3-piperidin-1-ylphenyl)propanamide
+C[C@@H](c1c[nH]c2c1cccn2)c3nnc4n3nc(cc4)NC(C)C	5TF	(s)-3-(1-(1h-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-n-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3	5TG	~{tert}-butyl ~{n}-methyl-~{n}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)OSO)O	5TH	[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate
+COc1ccc(cc1)C=CC=C2C(=O)NC(=O)NC2=O	5TI	5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)OS(=O)(=O)O)OSO)O	5TJ	[(2r,3r,4r,5r,6s)-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OSO)O	5TK	(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol
+c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)N	5TL	2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OSO)O)O	5TM	[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate
+CCCOc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C	5TN	(2e)-3-[4-hydroxy-3-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acid
+C1CCC(C1)CCC(=O)N2CCCC2	5TO	3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one
+c1csc(n1)C(=O)CC[C@H]2CCCCN2	5TP	3-[(2r)-piperidin-2-yl]-1-(1,3-thiazol-2-yl)propan-1-one
+c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)CCCC(=O)O	5TQ	4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C	5TR	[(2~{e},6~{e},10~{e},14~{e},18~{z},22~{e},26~{z},30~{e},34~{e},38~{e})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate
+c1cc(sc1c2ccno2)S(=O)(=O)O	5TS	5-(1,2-oxazol-5-yl)thiophene-2-sulfonic acid
+CNCc1ccc(cc1)N2CCCCC2	5TT	~{n}-methyl-1-(4-piperidin-1-ylphenyl)methanamine
+CC1=CC(=CN(C1=O)C)c2ccc(cc2)C(=O)N	5TU	4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O	5TW	3-oxo-23,24-bisnorchol-4-en-22-oyl-coa
+C[C@@]1(C[C@@H](N(C1=O)O)O)P(=O)(O)O	5TX	((3s,5s)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid
+CN1C=Cc2c(cnc(n2)N(C)C)C1=O	5TY	2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one
+c1cnc(cc1C(=O)O)c2csc(n2)N	5TZ	2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
+CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)OC)N)/C)/C)C	5U0	s-farnesyl-l-cysteine methyl ester
+Cc1c[n+]2c([nH]c(n2)N)nc1OC(C)C	5U1	2-amino-6-methyl-5-(propan-2-yloxy)-3h-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
+CC1=CC(=CN(C1=O)C)c2cc(c(c(c2)OC)CN3CC(C3)O)OC	5U2	5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one
+C[C@@H](C(C)C)N1C=C(c2c(c(n[nH]2)N)C1=O)c3cc(n(n3)C)C(C)(C)O	5U3	3-azanyl-5-[(2~{s})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{h}-pyrazolo[4,3-c]pyridin-4-one
+Cc1ccccc1N2C=C(c3c(c(n[nH]3)N)C2=O)c4ccn(n4)C	5U4	3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{h}-pyrazolo[4,3-c]pyridin-4-one
+CCNC(=O)C#Cc1ccc\2c(c1)NC(=O)/C2=C(/c3ccccc3)\Nc4ccc(cc4)CN(C)C	5U5	3-[(3~{z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{h}-indol-6-yl]-~{n}-ethyl-prop-2-ynamide
+CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC	5U6	4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one
+Cc1cc(ccc1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3cc(cc(c3)C(=O)NC)C(=O)NC	5U7	5-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{n}1,~{n}3-dimethyl-benzene-1,3-dicarboxamide
+CN(CCc1cnn(c1)c2c3c(ccn2)C(=O)NC=N3)Cc4ccc(cc4)F	5U8	8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CC(=O)c1csc(n1)NC(=O)C2C[NH2+]C2	5U9	~{n}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COC(=O)O)O)N	5UA	5'-o-carboxy-2'-deoxyadenosine
+c1cnc(c2c1C(=O)NC=N2)c3cscn3	5UB	8-(1,3-thiazol-4-yl)-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C1=C(C(=O)NC(=O)N1)Cl	5UC	5-chloropyrimidine-2,4(1h,3h)-dione
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F	5UD	5-fluorouridine
+C[C@H](C(=O)Nc1nc(cs1)C(=O)C)[NH3+]	5UE	[(2~{r})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium
+CCCCCCC[C@@H](CC(=O)O)O	5UF	(3~{s})-3-oxidanyldecanoic acid
+CC(C)(COP(=O)(O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O	5UG	[(3~{s})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphono hydrogen phosphate
+COc1ccc(cc1c2ccccc2)CC(=O)O	5UH	2-(4-methoxy-3-phenyl-phenyl)ethanoic acid
+CC(C)Oc1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F	5UI	1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
+c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl	5UJ	8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O	5UK	2-imino,3-carboxy,5-oxo,6-hydroxy hexanoic acid 
+c1cc(ccc1CC2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl	5UL	8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1cc(sc1)CC(=O)Nc2ccc(cc2F)S(=O)(=O)N	5UM	n-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
+c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N	5UN	n-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
+c1cc(ccc1C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl	5UO	8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1cnc(cc1C(=O)N)c2csc(n2)N	5UP	2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide
+Cc1cc(ccc1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3cccc(c3)C(=O)NC	5US	3-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{n}-methyl-benzamide
+CC1(CC1)c2cc(c(cc2Cl)O)NCC(=O)N3CCN(CC3)C4CN(C4)C(=O)C=C	5UT	1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
+c1cc(ccc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)F	5UU	6-chloranyl-~{n}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine
+c1cc(c(cc1Nc2c3cc(ccc3nc4c2CCCC4)Cl)Cl)F	5UV	7-chloranyl-~{n}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine
+c1ccc(cc1)C(CCNC2CCNCC2)c3ccccc3	5UW	~{n}-(3,3-diphenylpropyl)piperidin-4-amine
+c1cc(c(cc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)Cl)F	5UX	6-chloranyl-~{n}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine
+COC(=O)c1cnc(cc1NC[C@H]2CNCCO2)Nc3cnc(cn3)C#N	5UY	methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{r})-morpholin-2-yl]methylamino]pyridine-3-carboxylate
+CCC[C@@H]1CCCCN1C(=O)c2cccc(c2F)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5	5UZ	5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{r})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid
+c1cc(oc1)CNCc2cc(ccn2)C(=O)O	5V0	2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid
+c1ccc(cc1)CNCc2cc(ccn2)C(=O)O	5V1	2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid
+CN1C=C(c2c(cc(s2)C(=N)NC3CCS(=O)(=O)CC3)C1=O)c4cccc(c4)C(F)(F)F	5V2	n-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
+c1ccc(cc1)CNCc2c3c(ccn2)C(=O)N=CN3	5V3	8-[[(phenylmethyl)amino]methyl]-1~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1ccc2c(c1)C[C@H]([C@@H]2O)O	5V4	(1~{r},2~{r})-2,3-dihydro-1~{h}-indene-1,2-diol
+COc1ccc(cc1c2cccs2)CC(=O)O	5V5	2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid
+COc1ccc(cc1c2ccsc2)CC(=O)O	5V6	2-(4-methoxy-3-thiophen-3-yl-phenyl)ethanoic acid
+c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N	5V7	8-(2-azanyl-1,3-thiazol-4-yl)-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CNC(=O)c1c2c(ccc(c2CN3CCCCC3)O)oc1c4ccc(cc4)O	5V8	2-(4-hydroxyphenyl)-~{n}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
+c1cc(nc(c1)Nc2nccs2)CC3(CCC(CC3)Oc4cccc(c4F)Cl)C(=O)O	5VC	4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid
+C[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(ccc(c4C3=O)O)O)[C@H]1C(=O)OC)O)O	5VD	methyl (1~{r},2~{r},4~{s})-2-methyl-2,4,5,7,10-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{h}-tetracene-1-carboxylate
+[H]/N=C(/N)\NC[C@H]1Cc2ccc(cc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC	5VE	~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
+[H]/N=C(/N)\NC[C@H]1Cc2cc(ccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CN(C)/C(=N\[H])/N	5VF	~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-5-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
+[H]/N=C(/N)\NC[C@H]1Cc2cc(ccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC	5VG	~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
+[H]/N=C(/N)\N(C)Cc1ccc2c(c1)[C@@H]([C@H](C2)CNC(=N)N)NC(=O)C(=O)Nc3ccc(c(c3)F)Cl	5VH	~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
+CCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCC=C	5VI	(2s)-2-azanyl-3-[[(2s)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid
+c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2	5VJ	6~{h}-benzo[c][1,2]benzothiazine 5,5-dioxide
+CCOC(=O)CCc1ccc(c(c1)O)c2ccccc2O	5VK	ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate
+c1ccc(c(c1)c2ccccc2O)O	5VL	2-(2-hydroxyphenyl)phenol
+c1cc2c(cc1Cl)NC(=S)O2	5VM	5-chloranyl-3~{h}-1,3-benzoxazole-2-thione
+C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)CO)O	5VN	caulophyllogenin
+c1ccc(cc1)C(=O)CCCCC(=O)O	5VO	6-oxidanylidene-6-phenyl-hexanoic acid
+C=CCO	5VQ	2-propen-1-ol
+CC(=O)NNC(=O)[C@@H]1CC[C@H](CN1C=O)NOS(=O)(=O)O	5VR	[[(3~{r},6~{s})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
+CC1(NC(=O)c2ccc(cc2N1Cc3ccccc3)N4c5cccnc5NC4=O)C	5VS	2,2-dimethyl-7-(2-oxidanylidene-3~{h}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{h}-quinazolin-4-one
+COc1ccc(cc1)CCNC(=O)[C@@H]2CCCN2C(=O)NCc3cccc4c3cccc4	5VT	(2~{s})-~{n}2-[2-(4-methoxyphenyl)ethyl]-~{n}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide
+c1cc(c(cc1F)F)NC(=O)N2CCCC2	5VU	n-(2,4-difluorophenyl)pyrrolidine-1-carboxamide
+C([C@@H](C=O)NC(=O)O)C(=O)N	5VV	n-carbamoyl-l-asparagine
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NO[C@H]2CCNC2	5VW	[[(3~{r},6~{s})-1-methanoyl-6-[[(3~{s})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate
+CN(C)C(=O)c1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F	5VX	1-[6-[3-(dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
+Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C	5VY	2-methyl-~{n}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(cc3)N4CCN(CC4)C	5VZ	~{n}-[2-chloranyl-5-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
+Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(c(c3)F)N4CCN(CC4)C	5W0	~{n}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)N4CCN(CC4)C	5W1	~{n}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C	5W2	4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{n}-(1-methylpiperidin-4-yl)benzamide
+Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NCCO)OC	5W3	~{n}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethy l]ethanamide
+Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C3=O)C)c4ccccc4	5W4	(3~{s})-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-phenyl-3~{h}-isoindol-1-one
+COC(=O)c1ccccc1CNC(=O)N2CCC[C@H]2C(=O)Nc3cccc(c3)OC(F)(F)F	5W5	methyl 2-[[[(2~{s})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate
+Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)N4CCC(CC4)CO)OC	5W6	~{n}-[2-[[6-chloranyl-3-[3-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide
+Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NC4CCC(CC4)N)OC	5W7	~{n}-[2-[[3-[3-[(4-azanylcyclohexyl)sulfamoyl]-4-methoxy-phenyl]-6-chloranyl-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide
+CC[C@H](CO)NS(=O)(=O)c1cc(ccc1OC)c2c(nc3n2nc(cc3NCCNC(=O)C)Cl)C	5W8	~{n}-[2-[[6-chloranyl-3-[4-methoxy-3-[[(2~{r})-1-oxidanylbutan-2-yl]sulfamoyl]phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide
+Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)N4CCOCC4)OC	5W9	~{n}-[2-[[6-chloranyl-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide
+Cc1c(c(nc(n1)N)N)C#C[C@@H](c2cc(c(c(c2)OC)OC)OC)O	5WA	(1r)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol
+Cc1c(c(nc(n1)N)N)C#C[C@H](c2cc(c(c(c2)OC)OC)OC)OC	5WB	5-[(3s)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+C[C@H](c1cccc(c1F)Cl)NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn4c5cnccc5c(n4)C(=O)N	5WC	1-[2-[(1~{r},3~{s},5~{r})-3-[[(1~{r})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide
+c1cc(cc(c1)C(=O)O)COc2ccc3c(c2)cc([nH]3)C(=O)N	5WD	3-[(2-aminocarbonyl-1~{h}-indol-5-yl)oxymethyl]benzoic acid
+CN(C)CCCC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5	5WE	4-[8-azanyl-3-[(2~{s})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{n}-(1,3-thiazol-2-yl)benzamide
+CC1(COC1)C(=O)N2CCC[C@H](C2)c3nc(c4n3ccnc4N)c5ccc(cc5)C(=O)Nc6cc(ccn6)C(F)(F)F	5WF	4-[8-azanyl-3-[(3~{r})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{n}-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+C[C@H]1CC[C@H](CN1C(=O)C2CC2)c3nc(c4n3ccnc4N)c5ccc(cc5F)C(=O)Nc6cc(ccn6)C(F)(F)F	5WH	4-[8-azanyl-3-[(3~{r},6~{s})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{n}-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCC4	5WJ	~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+c1ccc(c(c1)c2cc([nH]n2)C(C(F)F)(F)F)O	5WK	2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{h}-pyrazol-3-yl]phenol
+CS(=O)(=O)NC(=O)c1c(c2ccc(cc2[nH]1)Cl)CCCOc3cccc4c3cccc4	5WL	6-chloranyl-~{n}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxamide
+c1ccc2c(c1)C(=CS2(=O)=O)CNS(=O)(=O)N	5WM	1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene
+c1ccc2c(c1)c(cs2)CNS(=O)(=O)N	5WN	3-[(sulfamoylamino)methyl]-1-benzothiophene
+c1ccn(c1)c2cccc(c2)c3cccc(c3)C(=O)Nc4c5c(nc[nH]5)ncn4	5WO	~{n}-(7~{h}-purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide
+CCOc1c(c(c2c3c1[C@@H](O/C=C/[C@@H]([C@H]([C@H]([C@H]([C@@H]([C@H]([C@H]([C@@H](/C=C/C[C@@H](C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)OP(=O)(O)O)C)O)C)O[C@@H](C)O)C)OC)O)O)C	5WP	rifampin-phosphate
+CCOc1c(c(c2c3c1[C@@H](O/C=C\[C@H]([C@H]([C@H]([C@H]([C@@H]([C@H](C(=O)[C@@H](/C=C/C[C@@H](C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)C)O)C)OC(=O)C)C)OC)O)O)C	5WQ	rifampin
+C[C@@H]1CN(Cc2c1ccc(c2)C(=O)Nc3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5	5WR	(4~{s})-4-methyl-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{h}-isoquinoline-7-carboxamide
+CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C	5WS	~{n}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide
+CC1=CC(=O)N(c2c1ccc(c2)NC(=O)C)C	5WT	~{n}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)ethanamide
+Cc1c2c(n(n1)CCO)CCCC2=O	5WU	1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{h}-indazol-4-one
+CN1Cc2ccccc2C1=O	5WV	2-methyl-3~{h}-isoindol-1-one
+COc1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2	5WW	5-amino-3-(4-methoxyphenyl)isoquinolin-1(2h)-one
+COc1cccc2c1c(no2)N	5WX	4-methoxy-1,2-benzoxazol-3-amine
+c1cc(c2c(c1)OCCO2)C(=O)N	5WY	2,3-dihydro-1,4-benzodioxine-5-carboxamide
+C1CC1C(=O)N2CCC(CC2)N	5WZ	(4-azanylpiperidin-1-yl)-cyclopropyl-methanone
+C/C(=C\c1ccccc1)/C[C@@H]2C(=O)N(C(=S)S2)NS(=O)(=O)c3ccccc3	5X	5r-(2e-methyl-3-phenyl-allyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine
+CNC(=O)c1cc(ccc1OC2CCOCC2)OCC(=O)Nc3ccccc3	5X0	~{n}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide
+C[C@H]1CN(Cc2c1ccc(c2)NC(=O)c3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5	5X1	3-[(4-methylpiperazin-1-yl)methyl]-~{n}-[(4~{r})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{h}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3[nH]c2C(=O)NS(=O)(=O)c4ccccc4	5X2	3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{n}-(phenylsulfonyl)-1~{h}-indole-2-carboxamide
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)NS(=O)(=O)c4ccc(o4)C(=O)O)c5c([nH]nc5C)C)Cl	5X3	5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{h}-pyrazol-4-yl)-1~{h}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid
+CCC(=O)N1CCCC[C@H](C1)n2c3c(cccc3nc2NC(=O)c4cccc(c4)C(F)(F)F)C	5X4	~{n}-[7-methyl-1-[(3~{r})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC[C@@H](C(=O)O)N)O)O)N	5X8	s-adenosyl-l-cysteine
+Cn1cc(nn1)[C@@H]2C[C@H]2c3c(cnn3c4cccc(c4)c5cccc(c5)C(=O)N(C)C)C(=O)O	5X9	1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-5-[(1~{r},2~{r})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid
+C(CCN)CC(=O)NO	5XA	5-amino-n-hydroxypentanamide
+C1[C@H](N[C@H](S1)C(=O)O)C(=O)O	5XB	(2~{r},4~{r})-1,3-thiazolidine-2,4-dicarboxylic acid
+c1cc2c(cc1C=O)OCO2	5XC	1,3-benzodioxole-5-carbaldehyde
+CCc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C	5XD	4-ethyl-~{n}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide
+Cc1cc(ccc1S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C)Br	5XE	4-bromanyl-~{n}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide
+CN1c2cc(c(cc2N(C1=O)C)N3CCCC3)NC(=O)c4ccccc4OC	5XF	~{n}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide
+c1cc2c(cc1c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl)n[nH]c2N	5XG	8-[3-(3-azanyl-2~{h}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
+Cc1cccc2c1n(c(n2)NC(=O)c3ccnc(c3)C)[C@@H]4CCCCN(C4)C(=O)C=CCN(C)C	5XH	~{n}-[1-[(3~{r})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide
+CN(C)S(=O)(=O)Nc1ccc(c(c1F)Nc2c(cccn2)c3c4c(nc[nH]4)ncn3)F	5XJ	6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{h}-purine
+CCC(CC)Cc1ccn-2c1NC(=O)c3c2cccc3Cl	5XK	6-chloranyl-3-(2-ethylbutyl)-4~{h}-pyrrolo[1,2-a]quinazolin-5-one
+CN(C)Cc1ccn-2c1NC(=O)c3c2cccc3Cl	5XL	6-chloranyl-3-[(dimethylamino)methyl]-4~{h}-pyrrolo[1,2-a]quinazolin-5-one
+c1ccc2c(c1)C(=O)N=C3N2CC[C@@H]3CN4CCCCC4	5XM	(3~{r})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{h}-pyrrolo[1,2-a]quinazolin-5-one
+c1cc(cc(c1)Cl)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)[NH3+]	5XN	(1s)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2h-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium
+Cc1cccc(c1)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)N	5XO	(s)-2-amino-3-(5-(2-(3-methylbenzyl)-2h-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid
+c1cc(cc(c1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N)CN	5XP	(2~{s})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid
+Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccccc3OC	5XQ	~{n}-[5-[2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
+C(C=O)[C@@H](N[C@@](CC(=O)O)(C(=O)O)O)O	5XR	2-hydroxy-n-[(1s)-1-hydroxy-3-oxopropyl]-l-aspartic acid
+COC(=O)c1cccc(c1)C(=O)Nc2c3c(nc[nH]3)ncn2	5XS	methyl 3-(7~{h}-purin-6-ylcarbamoyl)benzoate
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3ccc(c(c3)O)O	5XT	~{n}-[3,4-bis(oxidanyl)phenyl]-4-phenyl-benzenesulfonamide
+C[C@@H](C=O)N	5XU	(2~{s})-2-azanylpropanal
+C[C@@H](C(F)(F)F)Oc1c(ncc(n1)c2ccc3nc(cn3c2)NC(=O)C)N	5XV	~{n}-[6-[5-azanyl-6-[(2~{s})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide
+C(C=O)C(/N=C(/CC(=O)O)\C(=O)O)O	5XW	(2~{z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5	5XX	2-phenyl-~{n}-[5-[[(3~{r})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5	5XY	2-phenyl-~{n}-[5-[[(3~{s})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@@H](C3)Oc4nnc(s4)NC(=O)Cc5ccccc5	5XZ	2-phenyl-~{n}-[5-[(3~{s})-3-[[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanamide
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@H](CO)O	5Y0	n-[(2s)-2,3-bis(oxidanyl)propoxy]-3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide
+Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	5Y2	~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide
+CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	5Y3	~{n}-[2-[2-azanylethyl(methyl)amino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide
+CC(=O)Nc1cc(ccc1N(C)CCN(C)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	5Y4	~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethanamide
+Cc1cc(n2c(n1)nc(n2)C(C)(F)F)N[C@H]3CCc4ccc(cc4C3)Br	5Y5	2-[1,1-bis(fluoranyl)ethyl]-~{n}-[(2~{s})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CC4)CNC(=O)O5)Cl	5Y6	8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{h}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
+CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CCCN5CCOC)CC4)Cl	5Y7	5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{h}-2,1-benzothiazole 2,2-dioxide
+Cn1c2ccc(cc2cn1)c3cnc(c(c3N4CCC5(CCNC5=O)CC4)Cl)N	5Y8	8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
+CC(=O)N(C)C	5Y9	~{n},~{n}-dimethylethanamide
+c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO	5YA	4-naphthalen-1-yl-~{n}-oxidanyl-benzamide
+[H]/N=C(/c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)\N	5YB	n-(4-carbamimidoylbenzoyl)-beta-alanyl-l-alpha-aspartyl-l-phenylalanine
+CCN(CC1=CC(=O)N2C(=N1)SC(=N2)C)c3ccccc3	5YC	7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
+c1cc(cnc1)CNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(cc3)F	5YD	4-[[(4-fluorophenyl)sulfonylamino]methyl]-~{n}-(pyridin-3-ylmethyl)benzamide
+CCN(CC1=CC(=O)N2C3=C(CCC3)SC2=N1)c4ccc(cc4)F	5YE	6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{h}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one
+CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@H]4C[C@@H]4CO	5YF	7-[(4-fluoranylphenoxy)methyl]-3-[(1~{s},2~{s})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
+CCC(CC)(CS[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O	5YI	(1r,2z,3r,5e,7e)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol
+Cc1c(cc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl	5YJ	6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+C(CCC1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O	5YL	5-(6-d-ribitylamino-2,4(1h,3h)pyrimidinedione-5-yl) pentyl-1-phosphonic acid
+c1c(cc(c(c1Cl)Cl)Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3	5YN	6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+c1cc(cnc1)CNc2nccc(n2)c3cc(ccn3)C(=O)O	5YQ	2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid
+CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4ccsc4	5YU	n-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)NC(=O)C#Cc4ccccc4	5YW	n-[[5-(3-phenylprop-2-ynoylamino)-2-propoxy-phenyl]methyl]-4-pyrimidin-2-yl-benzamide
+CC(C)(C)c1nc(c(s1)c2ccnc(n2)CCS(=O)(=O)C)c3cccc(c3F)NS(=O)(=O)c4cc(ccc4F)F	5YX	n-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide
+CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5ccc(cc5)N=[N+]=N	5YY	ethyl 2-(2-(4-azido-n-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate
+CC1=CC(=CN(C1=O)C)c2nc3ccc(cc3n2CC4CCOCC4)N(C)CCOCCOCCN(CC(=O)NCCOCCOCC#C)C(=O)c5ccc(cc5)C(=O)c6ccccc6	5Z1	4-benzoyl-n-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-n-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)C(F)(F)F)Cl	5Z3	6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1h,3h)-dione
+CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5c(c(c(c(c5F)F)N=[N+]=N)F)F	5Z4	ethyl 2-(2-(4-azido-n-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate
+Cc1c([nH]c(c1C(=O)NC)C)\C=C/2\c3cc(ccc3NC2=O)Cl	5Z5	5-[(z)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n-(diethylamino)ethyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Br	5Z7	6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+c1cc2c(c(c1)[N+](=O)[O-])non2	5Z8	4-nitro-2,1,3-benzoxadiazole
+CC[C@](C)(C#N)O	5Z9	(2r)-2-methyl-2-oxidanyl-butanenitrile
+C[C@H]([C@@H](C1=N/C(=C\c2c[nH]c3c2c(ccc3)N)/C(=O)N1CC(=O)O)N)O	5ZA	(5z)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-5-[(4-amino-1h-indol-3-yl)methylene]-3-(2-hydroxyethyl)-3,5-dihydro-4h-imidazol-4-one
+C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)n4cccc4)C(=O)C	5ZB	(2r)-2-{acetyl[4-(1h-pyrrol-1-yl)phenyl]amino}-n-[(1s)-1-phenylethyl]-2-(pyridin-3-yl)acetamide
+Cc1cc(nc(n1)N)C	5ZE	4,6-dimethylpyrimidin-2-amine
+C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)CCl	5ZF	n-([1,1'-biphenyl]-4-yl)-2-chloro-n-[(1r)-2-oxo-2-{[(1s)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide
+c1ccc2c(c1)C(=O)NC(=N2)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5	5ZI	4-[3-(4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-n-(quinolin-8-yl)benzamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)C(F)(F)F	5ZJ	6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1h,3h)-dione
+Cc1c2c(c(ncn2)NC)[nH]n1	5ZK	~{n},3-dimethyl-1~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+c1c[n+](c(nc1OP(=O)(O)O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	5ZL	[[(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(2-oxidanyl-4-phosphonooxy-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CC1(c2cc(ccc2NC1=O)c3ccc(cc3)F)C	5ZM	5-(4-fluorophenyl)-3,3-dimethyl-indolin-2-one
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)C=O	5ZN	2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde
+COc1ccc(cc1)/C=C(\CC(=O)O)/c2nc3ccccc3s2	5ZO	(~{e})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid
+Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)c5nnc(o5)[C@@H](CC(=O)N[C@H](C)c6ccccc6)C(C)C	5ZP	(3~{s})-3-[5-(8-cyclopropyl-2-methyl-9~{h}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{n}-[(1~{r})-1-phenylethyl]pentanamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)CO	5ZT	6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3h,5h)-dione
+c1cc(ccc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl	5ZW	6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+C[C@]1(N[C@@H](C(S1)(C)C)C(=O)O)C(=O)O	5ZZ	(2~{r},4~{r})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid
+CC(C)C[C@@H](c1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6)OC	600	6-[4-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl]-2-[(1s)-1-methoxy-3-methylbutyl]quinolin-8-ylphosphonic acid
+CN(C)c1ccc(cc1)C(=O)NN	601	4-(dimethylamino)benzohydrazide
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)C2CNC2	602	[[(3~{r},6~{s})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
+c1ccc(cc1)c2cccc(c2)C(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3O)CNS(=O)(=O)c4ccc(cc4)C#N)O)O	603	~{n}-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide
+Cc1c(cc(o1)S(=O)(=O)NC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)c3cccc(c3)Br)O)O)C(=O)O	604	2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-d-glucopyranos  e
+c1cc(cc(c1)C(=O)N)c2ccc(cc2)[C@@H](Cc3cc(ccc3F)F)N	605	4'-[(1r)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide
+[H]/N=C(/N)\Nc1cccc(c1)[C@H](C[P@](=O)(CCCc2ccccc2)O)C(=O)O	606	(2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(s)-hydroxy(3-phenylpropyl)phosphoryl]propanoic acid
+c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-])N	607	2-(2'-amino-5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-oxido-1,1'-biphenyl-3-yl)succinate
+c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4	608	n-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide
+c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O	609	7-oxo-7h-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid
+C[C@H](COCCO)OCO	60A	2-[(2~{r})-2-(hydroxymethyloxy)propoxy]ethanol
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5	60B	~{n}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
+c12c3c4c5c1c6c7c8c2c9c1c3c2c3c4c4c%10c5c5c6c6c7c7c%11c8c9c8c9c1c2c1c2c3c4c3c4c%10c5c5c6c6c7c7c%11c8c8c9c1c1c2c3c2c4c5c6c3c7c8c1c23	60C	(c_{60}-i_{h})[5,6]fullerene
+CC(C)n1cc(c2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5)C(=O)NC6CCOCC6	60D	6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{n}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide
+CC[C@H](C)n1c2cc(ncc2c(n1)N3CC(C3)C(C)(C)O)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6	60E	2-[1-[1-[(2~{s})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol
+c1cc(ccc1/C=C/C(=O)SC[C@@H](C(=O)O)N)O	60F	(2~{r})-2-azanyl-3-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid
+COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC	60G	methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate
+c1ccc(cc1)C(c2ccccc2)[C@@H]3CCCN3	60H	(2~{s})-2-(diphenylmethyl)pyrrolidine
+Cc1c(c(n(n1)C)C)C(=O)N2CCN(CC2)Cc3nc4ccccc4n3CC(C)(C)C	60I	[4-[[3-(2,2-dimethylpropyl)-1~{h}-benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
+c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)O)S(=O)(=O)N	60K	(3z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxylic acid
+CNCc1cccc(c1)c2cccs2	60L	~{n}-methyl-1-(3-thiophen-2-ylphenyl)methanamine
+c1cc(nc(c1)C(=O)O)CP(=O)(O)O	60M	6-(phosphonomethyl)pyridine-2-carboxylic acid
+c1cc(nc(c1)C(=O)O)[C@@H](O)P(=O)(O)O	60N	6-[(~{s})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid
+c1cc(cc(c1)OC[C@H]2CCCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	60O	7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-[[(2~{r})-oxan-2-yl]methoxy]phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
+Cc1ccsc1C(=O)O	60P	3-methylthiophene-2-carboxylic acid
+c1ccc(c(c1)C(=O)O)n2cccc2	60Q	2-pyrrol-1-ylbenzoic acid
+c1ccc\2c(c1)COc3cc(ccc3/C2=C/c4ccc5c(c4)NC(=O)CO5)F	60R	6-[(~{e})-(3-fluoranyl-6~{h}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{h}-1,4-benzoxazin-3-one
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)NC)F)C)c4ccc(s4)C#N	60S	5-{(2e,4ar,7ar)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4c(cccc4F)F	60T	(2e,4ar,7as)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OCC)F)C)c4ccc(s4)C#N	60U	5-[(2e,4ar,7ar)-6-(4-ethoxy-5-fluoro-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(s4)C#N	60V	5-[(2e,4ar,7ar)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(c(n3)OC)F)c4cc(cs4)c5cccc(c5)C#N	60W	3-{5-[(2e,4ar,7ar)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(cc4F)F	60X	(2e,4ar,7as)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(cn3)F)c4cc(cs4)c5cccc(c5)C#N	60Y	3-{5-[(2e,4ar,7ar)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+CC[C@H](Cc1ccccc1)[C@@H]2/C=C/C/C=C/C[C@H]([C@@H]([C@H]([C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)C)O)C	60Z	(3r,4e,7e,10r,11s,12r,13s,16r,17r,24as)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2r)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3h-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21h)-trione
+c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4)O)O)O)O)[N+](=O)[O-]	610	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+c1cnccc1S[C@H]2[C@@H]([C@@H]([C@H](O2)/C=C/CNC(=O)c3cc(cc(c3O)O)[N+](=O)[O-])O)O	611	n-[(e)-3-[(2r,3s,4r,5s)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2CCCCC2	612	6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1h,3h)-dione
+[H]/N=C(\N)/N1CCN(CC1)c2ccc(cc2)Cl	613	4-(4-chlorophenyl)piperazine-1-carboximidamide
+Cc1cc([nH]n1)NC2=NN(C(=O)c3c2ccc(c3)CN4CCN(CC4)C)C5CCOCC5	614	7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1h-pyrazol-5-yl)amino]-2-(tetrahydro-2h-pyran-4-yl)phthalazin-1(2h)-one
+c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)CC5(C[C@@H]5C(=O)NO)C(=O)N	615	(1r,2s)-n~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide
+CC(C)[C@H](C=O)[C@H]1[C@@H](CCN1C(=O)\C=C\CN2CCCCC2)NS(=O)(=O)C	616	n-[2-(1-formyl-2-methyl-propyl)-1-(4-piperidin-1-yl-but-2-enoyl)-pyrrolidin-3-yl]-methanesulfonamide
+c1ccc(c(c1)C(=O)O)NC(=O)COc2ccc(cc2)Cl	617	2-{[(4-chlorophenoxy)acetyl]amino}benzoic acid
+Cc1cc(n(n1)c2ccccc2)NC(=O)[C@@H]3C(S[C@H]4N3C(=O)[C@@H](C=CC4)NC(=O)[C@H](C)NC)(C)C	618	(3r,6r,9ar)-2,2-dimethyl-6-[(n-methyl-l-alanyl)amino]-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)-5-oxo-2,3,5,6,9,9a-hexahydro[1,3]thiazolo[3,2-a]azepine-3-carboxamide
+CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	619	n-[(e)-3-[(2r,3s,4r,5r)-5-(6-ethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+c1ccc2c(c1)c3ccccc3n2CCN[Pt](N)(N)Cl	61C	platinum(4+) chloride azanide [2-(9h-carbazol-9-yl)ethyl]azanide (1:1:2:1)
+OI	61D	hypoiodous acid
+Cn1c2cc(c3c(c2c4c1cc(c(c4)O)OCCCN(C)C)C(=O)NC3=O)c5ccccc5Cl	61E	4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione
+CC(=C)C=C	61G	2-methylbuta-1,3-diene
+c1ccc2c(c1)ccc3c2ccc(c3)[C@H]4C[C@@H]([C@H](O4)COP(=O)O)O	61H	(1r)-1,4-anhydro-2-deoxy-5-o-[(s)-hydroxy(oxido)-lambda~5~-phosphanyl]-1-phenanthren-2-yl-d-erythro-pentitol
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CCOP(=O)O)O)O)O	61J	(6s)-2,6-anhydro-1-deoxy-6-(2-{[(s)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-d-galactitol
+c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)NCCc4c[nH]cn4)S(=O)(=O)N	61K	(3z)-n-[2-(1h-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxamide
+Cc1ccc(c(c1)Nc2c(cccc2SC)C)C(=O)O	61L	4-methyl-2-{[2-methyl-6-(methylsulfanyl)phenyl]amino}benzoic acid
+c1ccc(c(c1)C(=O)CC(=O)O)N	61M	3-(2-aminophenyl)-3-oxopropanoic acid
+c1cc2cc(ccc2c(c1)C(=O)O)O	61N	6-hydroxynaphthalene-1-carboxylic acid
+c1ccc(c(c1)c2cccnc2)C(=O)O	61O	2-(pyridin-3-yl)benzoic acid
+c1ccc2c(c1)cc([nH]2)CC(C(=O)NN=Cc3cccc(c3)/C=N/NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N)N	61P	2-amino-n'-{3-[(e)-{2-[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1h-indol-2-yl)propanehydrazide (non-preferred name)
+c1cc2c(cc(nc2c(c1)NC(=O)c3cc(c4cccc(c4n3)NC(=O)c5cc(c6cccc(c6n5)[N+](=O)[O-])OCCCN)OCCCN)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)O)OCCCN	61Q	4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-nitroquinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinoline-2-carboxylic acid
+CC(C)(C)OC(=O)[C@@H](CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N	61S	tert-butyl (2r)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl}amino)-4-phenylbutanoate
+c1cc(cc(c1)SC(F)(F)F)c2cc3nccc(n3n2)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N	61T	[(1~{r},2~{r},3~{s},4~{r})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
+C[C@](c1ccc2cnc(cc2n1)Nc3cc(c(cc3F)C#N)N4CCOCC4)(C5CCN(CC5)C)O	61U	5-fluoranyl-4-[[2-[(1r)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile
+c1ccc(cc1)CN2CCC(CC2)NC(=O)c3ccc(cc3)I	61V	n-(1-benzylpiperidin-4-yl)-4-iodobenzamide
+CCCN1CCC=C(C1)c2cc(no2)c3ccc(cc3)C	61W	3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2h-pyridin-5-yl)-1,2-oxazole
+CS(=O)(=O)c1cccc(c1)Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F	61X	4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline
+CCc1cc(nc(n1)N)c2c[nH]c3c2cc(cn3)c4c[nH]nc4	61Y	4-ethyl-6-[5-(1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
+c1ccc(cc1)COc2cccc(c2)CNn3c(nnn3)N	620	n~1~-[3-(benzyloxy)benzyl]-1h-tetrazole-1,5-diamine
+CC(C)C[C@@H](C(=O)CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)C	621	n-acetylglycyl-n-[(3s)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-l-serinamide
+Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F	622	6-fluoro-n-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
+[H]/N=C(/c1cccc(c1)Oc2c(c(c(c([nH+]2)Oc3cccc(c3)/C(=N/[H])/N)F)C)F)\N	623	3,3'-[3,5-difluoro-4-methyl-2,6-pyridylenebis(oxy)]-bis(benzenecarboximidamide)
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)NC(C)C)c3ccc(c(c3)Cl)Cl	624	2-(2-(3,4-dichlorophenyl)-5-(isopropylamino)-6-oxopyrimidin-1(6h)-yl)-n-((s)-1-oxo-1-(thiazol-2-yl)-5-guanidinopentan-2-yl)acetamide
+c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)OCCCC#N)Cl	625	4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1h-pyrrol-2-yl}phenoxy)butanenitrile
+CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cn(cc4[nH]n3)C(=O)Cc5cccs5	626	4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
+CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC	627	n-[(3e)-5-[(2r)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3(5h)-ylidene]-4-(4-methylpiperazin-1-yl)benzamide
+c1cc(c(c(c1)Cl)C(=O)c2ccc3nc(cn3c2)Nc4ccc(cc4)S(=O)(=O)N)Cl	628	4-{[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino}benzenesulfonamide
+c1cc(ccc1C[C@@H](C(=O)N[C@@H]([C@H]2[C@@H]([C@@]([C@H](C[N@@]2O)O)(CO)O)O)C(=O)O)N)O	629	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)N)c3cccc(c3)C	62A	2-(5-amino-6-oxo-2-m-tolyl-6h-pyrimidin-1-yl)-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
+C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CS[C@@H]4CC[C@H](C[C@H]4O)N)C	62B	lefamulin
+c1cc(c(cc1/C=C/C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)Cl)Cl	62C	2-deoxy-2-{[(2e)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-d-glucopyranose
+CCNC1=Nc2cc3c(cc2C(=O)N1)nc([nH]3)NC	62D	6-(ethylamino)-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CCN1CCC(CC1)CCNC(=O)Nc2nc3ccc(cc3s2)Sc4nnc5n4nc(cc5)c6cccs6	62E	1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea
+Cc1cc2c(cc1C)N(c3c(nc(nc3O)O)N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O	62F	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[5-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7,8-dimethyl-2,4-bis(oxidanyl)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+Cc1c-2c(on1)[C@@H](N=C(c3c2cccc3)c4ccc(cc4)Cl)CC(=O)N	62G	cpi-0610
+C[C@@H](CN)C(=O)O	62H	(2s)-3-amino-2-methylpropanoic acid
+CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)O)O)O	62I	(6r)-1-o-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-l-glucitol
+CC(C)COC(=O)c1ccc2c(c1)/C(=N/Nc3ccc(cc3)S(=O)(=O)N)/C(=O)N2	62K	2-methylpropyl (3z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxylate
+Cc1ccc(c(c1)Nc2c(cccc2S(=O)(=O)C)C)C(=O)O	62L	4-methyl-2-{[2-methyl-6-(methylsulfonyl)phenyl]amino}benzoic acid
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N4CC[C@@H](C4)O	62M	[6-hydroxy-3-(3-methylbenzyl)-1h-indazol-5-yl][(3s)-3-hydroxypyrrolidin-1-yl]methanone
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F	62N	n-{[4-(trifluoromethyl)benzoyl]carbamoyl}-beta-d-glucopyranosylamine
+COc1ccc2c(c1)[nH]c(n2)c3ccn[nH]3	62O	6-methoxy-2-(1h-pyrazol-5-yl)-1h-benzimidazole
+Cc1c2cc(ccc2oc1S(=O)(=O)C3=NNC(=O)C=C3)Cl	62P	6-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3(2h)-one
+CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5ccc(cc5)C(F)(F)F	62Q	{4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2r,3s)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone
+CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCCC(=O)O)Oc5cc(sc5)C(F)(F)F	62R	4-[2-(4-{[(2r,3s)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cc(no2)c3ccccc3O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)O	62S	[(2~{s})-3-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid
+CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5cc(sc5)C(F)(F)F	62T	{4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2r,3s)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone
+C[C@H]1C[C@@H]([C@@H](C(C=C([C@H]([C@H](C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccco3)C)OC)OC(=O)N)C)C)O)OC	62U	(8s,9r,13r,14s,16r)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate
+Cc1c-2c(on1)CN=C(c3c2cccc3)c4ccc(cc4)Cl	62V	6-(4-chlorophenyl)-1-methyl-4h-[1,2]oxazolo[5,4-d][2]benzazepine
+C([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)O	62W	l-glucitol
+CN(C)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	62X	5'-{[(3s)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine
+c1ccc(cc1)P(=O)(O)Oc2cccc(c2)Br	62Y	3-bromophenyl hydrogen (s)-phenylphosphonate
+CCC(=O)N1C[C@@H]([C@H](C1)OC)COc2c3c(c[nH]c3nc(n2)Nc4cnn(c4)C)Cl	630	1-{(3r,4r)-3-[({5-chloro-2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one
+CN(C)Cc1ccc(cc1)/C=C/c2c3ccc(cc3n[nH]2)[C@@H]4C[C@]45c6cc(ccc6NC5=O)OC	631	(1r,2s)-2-{3-[(e)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2h-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'h)-one
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=O)C(=CN=C2SC)NCc3ccccc3	632	2-(5-benzylamino-2-methylsulfanyl-6-oxo-6h-pyrimidin-1-yl)-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
+CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4ccc(cc4)N5CCN(CC5)C	633	n-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide
+CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C	634	n-[3-({2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide
+CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2ccc(c3)F)(C)C)C(=O)c4ccc(cc4)OCCCN5CCOCC5	635	1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
+Cc1ccc(c(c1)Nc2c(cccc2C(=O)O)C)C(=O)O	636	2-[(2-carboxy-5-methylphenyl)amino]-3-methylbenzoic acid
+Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	637	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O	638	[4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]bis(methylene)]bis[n-2-thiazolylbenzamide]
+Cc1cc2cc(ccc2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N	639	6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile
+CCC(=O)N1C[C@@H]([C@H](C1)C(F)(F)F)COc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C	63A	1-[(3r,4r)-3-[({2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrr olidin-1-yl]propan-1-one
+COC(=O)Nc1[nH]c2cc(ccc2n1)Sc3nnc4n3nc(cc4)c5ccc(cc5)F	63B	methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1h-benzimidazol-2-yl)carbamate
+CNC(=O)CN1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl	63C	(3r,4r)-1-methylcarbamoylmethyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+CCCCCCCCCCOc1cc(cc(c1)O)COc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl	63D	4-chloro-2-{[3-(decyloxy)-5-hydroxybenzyl]oxy}-5-sulfamoylbenzoic acid
+CCCCc1cc(nc(n1)N)c2c[nH]c3c2cccn3	63E	4-butyl-6-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
+c1cc(ccc1CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)C(=O)NC5CC5)OC(F)(F)F	63F	n-cyclopropyl-6-[(3r)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N[C@H](CCN4C2=O)O	63G	(6s)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N[C@@H](CCN4C2=O)O	63H	(6r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one
+C[C@](c1ccc2cnc(cc2n1)Nc3ccc(cc3F)n4cccn4)(C5CCN(CC5)C)O	63I	(1r)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
+c1ccnc(c1)CC(=O)Nc2nnc(s2)CCCCc3ccc(nn3)NC(=O)Cc4cccc(c4)OC(F)(F)F	63J	2-(pyridin-2-yl)-n-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide
+c1cc(ccc1c2ccc3nnc(n3n2)Sc4ccc5c(c4)sc(n5)NC(=O)NCCN6CCOCC6)F	63K	1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea
+CSc1c(c(n(n1)C(=O)N)N)C(=O)N	63L	5-amino-3-(methylsulfanyl)-1h-pyrazole-1,4-dicarboxamide
+CC(C)(C)NC(=O)c1cnn2c1nc(cc2)NS(=O)(=O)c3ccnn3C	63M	n-tert-butyl-5-{[(1-methyl-1h-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC(C)n1cnc2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5	63N	n-{2-[1-(cyclopropylsulfonyl)-1h-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine
+Cn1c(ccn1)C(=O)N[C@@H](Cc2ccccc2F)C(=O)Nc3ccc(cc3)CCNC(=O)CC4(CCCC4)CC(=O)N(C)C	63O	n-(4-{2-[({1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl}acetyl)amino]ethyl}phenyl)-2-fluoro-nalpha-[(1-methyl-1h-pyrazol-5-yl)carbonyl]-l-phenylalaninamide
+CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@H](Cc3cc(ccc3Cl)Oc4ccc(cc4)C5(CCCC5)CC(=O)N1)NC(=O)c6ccnn6C	63P	(9's,17'r)-6'-chloro-n-methyl-9'-{[(1-methyl-1h-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide
+CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@H](Cc3cc(ccc3Cl)-c4cccc(c4)CCC(=O)N1)NC(=O)c5ccnn5C	63Q	(4s,20r)-7-chloro-n-methyl-4-{[(1-methyl-1h-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide
+CC(=O)N(c1ccccc1)[C@@H]2CCCN(C2)C(=O)c3ccc(cc3)N4CCOCC4	63R	n-{(3r)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-n-phenylacetamide
+C1[C@@H]([C@H](OC1=O)COP(=O)(O)O)O	63T	[(2r,3s)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)
+CC1=C(N[C@@H](SC1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O	63U	(2s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C=C1CS[C@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2	63V	(2s)-5-methylidene-2-{(1r)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1c2c(nc(nc2sc1Sc3ccc(cc3)C(F)(F)F)N)N	63W	5-methyl-6-{[4-(trifluoromethyl)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine
+COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O	63X	mofezolac
+Cc1c2c(nc(nc2sc1Sc3ccc(c(c3F)F)F)N)N	63Y	5-methyl-6-[(2,3,4-trifluorophenyl)sulfanyl]thieno[2,3-d]pyrimidine-2,4-diamine
+CC(C)(C)c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O	640	(2e)-4-{n'-[4-(4-tert-butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid
+c1c(cc(cc1Cl)Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3	641	(3s)-1-cyclohexyl-n-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
+c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)[C@@H]5C[C@@]6(C[C@@H]6C(=O)O)C(=O)N5	642	(1s,3r,6s)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid
+Cc1cc(ccc1c2ccc3c(c2)n(cc3C(=O)O)C)OCc4c(noc4C(C)C)c5c(cncc5Cl)Cl	643	6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1h-indole-3-carbox ylic acid
+c1ccc(c(c1)C(=O)O)Nc2cccc(c2C(=O)O)Nc3ccccc3C(=O)O	644	2,6-bis[(2-carboxyphenyl)amino]benzoic acid
+CC(C)(C)n1c(c(c(n1)c2ccc(cc2Cl)Cl)C(=O)c3ccc(cc3Cl)S(=O)(=O)C)O	645	[1-tert-butyl-3-(2,4-dichlorophenyl)-5-hydroxy-1h-pyrazol-4-yl][2-chloro-4-(methylsulfonyl)phenyl]methanone
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl	646	2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+c1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F	647	5-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-n-[4-(trifluoromethyl)benzyl]pyridin-2-amine
+c1ccc(cc1)OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	649	5'-o-[(11-phenoxyundecanoyl)sulfamoyl]adenosine
+CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](C2)OC(C(=O)O)C(=O)O	64A	{[(1s,3r)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}propanedioic acid
+COc1ccc(c(c1)F)N\2C(=O)CS/C2=C(/C#N)\C(=O)OC	64B	methyl (2z)-cyano[3-(2-fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
+CCc1c-2c([nH]n1)OC(=O)c3c2cccc3	64C	1-ethylisochromeno[3,4-c]pyrazol-5(3h)-one
+c1cc(ccc1S(=O)(=O)NCC2CCN(CC2)C(=O)O)Cl	64D	4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid
+CCCc1c-2c([nH]n1)OC(=O)c3c2cccc3	64E	1-propylisochromeno[3,4-c]pyrazol-5(3h)-one
+CCCCc1c-2c([nH]n1)OC(=O)c3c2cccc3	64F	1-butylisochromeno[3,4-c]pyrazol-5(3h)-one
+c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F	64I	2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol
+Cc1c2c(nc(nc2sc1Sc3ccc(cc3)OC(F)(F)F)N)N	64J	5-methyl-6-{[4-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine
+C1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O	64K	alpha-d-arabinopyranose
+CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)NC(=O)CC(=O)O)Br	64L	kb2115
+COc1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F	64M	5-[(5-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]-n-[4-(trifluoromethyl)benzyl]pyridin-2-amine
+CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)C(=O)N)O)Cl	64N	5'-[2,6-dichloro-4-(propanoylamino)phenoxy]-2'-hydroxybiphenyl-4-carboxamide
+CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)NC(=O)N)O)Cl	64O	n-(4-{[4'-(carbamoylamino)-6-hydroxybiphenyl-3-yl]oxy}-3,5-dichlorophenyl)propanamide
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N	64P	5-aminothymidine 5'-(dihydrogen phosphate)
+Cc1ccccc1Nc2cc(nc3n2cnn3)C	64Q	7-methyl-n-(o-tolyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
+Cc1ccc2c(c1)NC(=O)[C@H](O2)C	64R	(2r)-2,6-dimethyl-2h-1,4-benzoxazin-3(4h)-one
+CCNc1c2cc(c(cc2ncn1)OC)OC	64S	n-ethyl-6,7-dimethoxyquinazolin-4-amine
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O	64T	5-hydroxy-thymidine-5'-monophosphate
+c1cc(cc(c1)Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N	64U	3-cyclohexyl-d-alanyl-n-(3-chlorobenzyl)-l-prolinamide
+CN1CCC(CC1)N(CC(=O)O)c2ccc3cnc(cc3n2)Nc4ccc(cc4F)n5ccc(n5)CO	64V	2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid
+CC(=CCC/C(=C/CO)/C)C	64Z	geraniol
+C/C=C(\C)/CCC=C(C)C	650	beta-myrcene
+c1ccc(cc1)c2ccc(cc2)[C@]3(CN4CCC3CC4)O	651	(3r)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol
+CC(C)(c1ccccc1Cl)c2nc(cn2c3ccc(cc3)c4cccc(c4)S(=O)(=O)C)C(C)(C)O	652	2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1h-imidazol-4-yl}propan-2-ol
+c1ccc(cc1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)CC[NH3+]	653	5-(2-aminoethyl)-3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate
+Cc1ccc(cc1)Cn2cc(nc2)c3cccs3	654	4-(2-thienyl)-1-(4-methylbenzyl)-1h-imidazole
+c1cc(c(c(c1)OC2CCCC2)[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N	655	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-(cyclopentyloxy)benzenolate
+CC(C)COc1cccc(c1[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N	656	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate
+c1cc2c(cc1OC(F)(F)F)sc(n2)N	657	6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
+Cc1cc(n(n1)c2nccc(n2)Nc3ccc(cc3)Cl)C	658	n-(4-chlorophenyl)-2-(3,5-dimethyl-1h-pyrazol-1-yl)pyrimidin-4-amine
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)F)O	659	n-[(e)-3-[(2r,3r,4s,5r)-3-fluoro-4-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+Cc1c2c(c3c(nc2[nH]n1)CC(CC3=O)(C)C)c4ccccc4OC	65A	4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one
+Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N	65B	4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
+Cc1c[nH]c(n1)c2cnc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(cn4)C#N	65C	chir99021
+CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O	65D	octyl 3,4,5-trihydroxybenzoate
+Cc1c2c(nc(nc2n(c1Sc3ccc(cc3)OC)C)N)N	65H	6-[(4-methoxyphenyl)sulfanyl]-5,7-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC)COP(=O)(O)OCCN	65I	(9r,12r)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate
+CCn1c2c(c(c1Sc3cccc(c3)OC)C)c(nc(n2)N)N	65J	7-ethyl-6-[(3-methoxyphenyl)sulfanyl]-5-methyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+[H]/N=C(/c1ccc(cc1)C(=O)O)\N	65K	4-carbamimidoylbenzoic acid
+c1cc(c(cc1n2ccc(n2)CO)F)Nc3cc4c(ccc(n4)OC5CCNCC5)cn3	65L	[1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol
+CN(c1ccc(cc1)OC(F)(F)F)c2ccc3c(n2)c(nc(n3)N)N	65N	n~6~-methyl-n~6~-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine
+Cc1c2c(nc(nc2sc1Sc3cccc4c3cccc4)N)N	65O	5-methyl-6-(naphthalen-1-ylsulfanyl)thieno[2,3-d]pyrimidine-2,4-diamine
+Cc1c(ccc2c1CCCO2)c3c4ccn(c4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)Cc5ccc(c(c5)F)F	65P	(2s)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2h-chromen-6-yl)-1h-pyrrolo[2,3-b]pyridin-5-yl]acetic acid
+Cc1c2c(nc(nc2sc1Sc3cccc(c3)OC(F)(F)F)N)N	65Q	5-methyl-6-{[3-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine
+c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4ccncc4	65R	2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide
+C(C(=O)C(=O)O)F	65S	3-fluoro-2-oxopropanoic acid
+CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3cc(on3)Cc4ccccc4	65U	5-benzyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
+c1cc(cc(c1)Oc2cccc3c2ccc(n3)c4cn(nn4)c5ccc(c(c5)F)O)C(=O)O	65V	3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid
+CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3	65W	2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid
+c1ccc(cc1)c2c3cc(ccc3nc(c2c4[nH]nnn4)N5CCCCC5)Cl	65X	6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1h-tetrazol-5-yl)quinoline
+CC(C)c1cccc(c1)c2c3cc(ccc3nc(c2C(=O)O)C(C)C)Cl	65Y	6-chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid
+c1ccc(cc1)c2c3cc(cc(c3nc(c2C(=O)O)N4CCCCC4)Cl)Cl	65Z	6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	660	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid
+CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)C)O	662	5-(4-fluorophenyl)-2,3-dihydroxy-n-[(e)-3-[(2r,3r,4r,5r)-4-hydroxy-3-methyl-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]benzamide
+Cn1ccnc1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl	663	3-chloro-n-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1h-imidazol-2-yl)methyl]thiophene-2-carboxamide
+Cn1c(cc2c1CCNC2=O)c3ccnc(n3)Nc4cc(ccc4OC(F)(F)F)N5CCN(CC5)C	664	1-methyl-2-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1cc(cc(c1)Br)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3	665	(3s)-n-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
+C[C@@H]1CC(=O)NN=C1c2ccc(cc2)NC3=C(C(=O)CCC3)Cc4cccc(c4)I	666	6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one
+c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3	667	6-oxo-8,9,10,11-tetrahydro-7h-cyclohepta[c][1]benzopyran-3-o-sulfamate
+CC(C)[C@@](C(=O)N1CCC(CC1)C2CCN(CC2)c3ccc(c(c3)Cl)C(=O)N(C)C)(C(F)(F)F)O	668	2-chloro-4-{1'-[(2r)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-n,n-dimethylbenzamide
+c1cc(c(c(c1)Cl)COc2ccc3c(c2)cc(n3CCCCCC(=O)O)C(=O)O)Cl	669	1-(5-carboxypentyl)-5-(2,6-dichlorobenzyloxy)-1h-indole-2-carboxylic acid
+c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	66A	7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCCC(=O)O	66B	(8e,12z,15z,18z,21z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid
+c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)c5ccc(cc5)C[C@@H](C(=O)O)N)C(=O)CCN	66C	4-[8-(beta-alanyl)-8,9-dihydro-1h-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-l-phenylalanine
+CC[C@@H](C)C[C@@](C)(C(=O)O)N	66D	(4r)-2,4-dimethyl-l-norleucine
+CCN[C@@H](C(C)C)C(=O)O	66E	n-ethyl-l-valine
+C[C@]1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F	66F	n-{3-[(5r)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2h-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
+C1C[C@H](NC1)C2=N/C(=C(/O)\S)/C(=O)O2	66G	(4z)-4-[hydroxy(sulfanyl)methylidene]-2-[(2s)-pyrrolidin-2-yl]-1,3-oxazol-5(4h)-one
+[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)NC(=O)c4ccco4	66H	n-{3-[(2e,4r)-2-imino-1-methyl-5-oxo-4-phenylimidazolidin-4-yl]phenyl}furan-2-carboxamide
+[H]/N=C/1\N[C@](CS(=O)(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl	66J	(3e,5s)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide
+Cc1ccc(cc1OC2CCN(CC2)C(=O)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	66K	4-[(4-methylpiperazin-1-yl)methyl]-n-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide
+c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cnc(c5)OCCN6CCOCC6)F	66L	n-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCCCCC(=O)N[C@H](CC(=O)O)C(=O)O)O)O)N	66M	(2r)-2-{[6-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name)
+C[C@@H](C(=O)N)N	66N	l-alaninamide
+C[C@H]1[C@H](C([C@@H]([C@@H](O1)O)O)O)O	66O	alpha-l-6-dexoy-gulopyranose
+c1ccc2c(c1)[nH]c(n2)C3=C(C=CNC3=O)NC4CCC(CC4)N	66P	4-[(4-aminocyclohexyl)amino]-3-(1h-benzimidazol-2-yl)-1h-pyridin-2-one
+COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[C@@H]4c5c(c6ccccc6[nH]5)C[C@H](N4)C(=O)O	66R	trans-ned 19
+CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	66S	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate
+C[C@@H]1CN(C[C@@H](N1)C)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)CCc4cc(cc(c4)OC)OC	66T	n-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]benzamide
+C([C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N)O	66U	(1r,2s,3s,4r,5s,6r)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+C(CCCCN=[N+]=N)CCCN[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)CO	66V	1-(8-{[(1s,2r,3s,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium
+CNc1nccc(n1)N2CC[C@@H](C2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCOCC4	66X	n-{(3s)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl}-n'-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}urea
+C1[C@@H]2C=C[C@H]1NC2=O	66Y	(1s,4r)-2-azabicyclo[2.2.1]hept-5-en-3-one
+C1[C@H]2C=C[C@@H]1NC2=O	66Z	(1~{s},4~{r})-3-azabicyclo[2.2.1]hept-5-en-2-one
+c1cc(ccc1n2cc(nn2)C34C5=C6[Fe]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N	670	p-(4-ferrocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide
+c1ccc2c(c1)cccc2[C@H]3CCCN3C(=O)CNC(=O)NCc4ccc(cc4)N	671	1-(4-aminobenzyl)-3-{2-[(2r)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)/C(=N\[H])/N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)/N	672	(s)-4-(4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carbonyl)piperidine-1-carboximidamide
+CC(C)NCCCOc1ccc(cc1CC=C)c2ccccc2	673	n-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine
+c1cc(ccc1C2=COc3cc(c(cc3C2=O)O)O)O	674	6,7-dihydroxy-3-(4-hydroxyphenyl)-4h-chromen-4-one
+[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)\N	675	6-[(z)-amino(imino)methyl]-n-phenyl-2-naphthamide
+c1ccc(cc1)[C@@H](CN)NC(=O)C[C@H]2CNC(=O)c3n2cc(c3)c4ccnc(c4)F	676	n-[(1s)-2-amino-1-phenylethyl]-2-[(4s)-7-(2-fluoro-4-pyridinyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide
+CS(=O)(=O)c1ccc2c(c1)nc3n2C[C@@H]([C@H](C3)c4cc(c(cc4F)F)F)N	677	(2r,3r)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine
+c1cc2c(cc1C(=[NH2+])N)cc([nH]2)c3cc(cc(c3[O-])Br)CC(=O)[O-]	678	(3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-5-bromo-4-oxidophenyl)acetate
+c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)C(=O)O)Cl	679	2-chloro-5-[4-(3-chloro-phenyl)-2,5-dioxo-2,5-dihydro-1h-pyrrol-3-ylamino]-benzoic acid
+c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F	67A	3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1h)-one
+CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C	67B	n,n-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)benzamide
+CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C	67C	3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl]-n,n-dimethylbenzamide
+c1ccc2c(c1)c(c[nH]2)CCC(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncn6c5ncc6)O)O	67D	3-(5-o-{[3-(1h-indol-3-yl)propanoyl]sulfamoyl}-beta-d-ribofuranosyl)-3h-imidazo[2,1-i]purine
+CC(C)[C@@H](C(=O)O)N(CCNC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3	67F	(2s)-2-{[2-({[(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name)
+c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)[C@H]4C[C@@H]4C#N)C(F)(F)F	67G	(1s,2s)-2-[7-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-5-oxo-2-(trifluoromethyl)-5h-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile
+CCN(CC1=CC(=O)N2C(=C(SC2=N1)C)C(=O)NC)c3ccc(cc3)F	67H	7-{[ethyl(4-fluorophenyl)amino]methyl}-n,2-dimethyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
+CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cc3cccc(c3F)C(F)(F)F)C	67J	n-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
+c1ccnc(c1)c2cc(cc(n2)C=O)O	67K	4-hydroxy[2,2'-bipyridine]-6-carbaldehyde
+c1ccnc(c1)c2cc(cc(n2)CO)O	67L	6-(hydroxymethyl)[2,2'-bipyridin]-4-ol
+CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4	67M	(2r)-2-[({1-[3-({(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2h-pyran-2-yl}oxy)propyl]-1h-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name)
+CN1C=Cc2cc[nH]c2C1=O	67N	6-methyl-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+Cc1cc2ccc1[C@H](COC(=O)Nc3cc(c(c(c3)F)O)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C	67O	(2r,15r)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
+c1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(c(c3)Cl)F	67P	n-({4-[2-(benzenecarbonyl)hydrazinecarbonyl]phenyl}methyl)-3-chloro-4-fluorobenzene-1-sulfonamide
+Cc1c(ncc(n1)C(=O)NCC2=SC(=NC2)C)CNS(=O)(=O)c3ccc(c(c3)F)F	67Q	5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-n-[(2-methyl-4h-1lambda~4~,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
+Cc1ncc(s1)CNC(=O)c2cnc(cn2)CNS(=O)(=O)c3ccc(c(c3)Cl)F	67R	5-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
+CC(C)[C@@H]1CN(CCN1c2ncc(c(n2)C(F)(F)F)CO)c3ccc(c(c3)S(=O)(=O)C)CO	67S	{2-[(2r)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol
+C[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(nc(n4)N)N)C#N	67T	2,4-diamino-6-{[(1s)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile
+CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br	67U	6-bromo-2-[1-methyl-3-(propan-2-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridine
+Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)C(=O)OC	67V	methyl 8-cyclopropyl-2-methyl-9h-pyrido[2,3-b]indole-3-carboxylate
+c1ccc(c(c1)CC(=O)O)C(=O)Nc2ccc(cc2)c3cc[nH]n3	67W	(2-{[4-(1h-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid
+C[C@@H]1Cc2cccc(c2NC1)S(=O)(=O)N	67X	(3r)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
+c1ccc2c(c1)CCC[C@H]2NC(=O)CO	67Y	2-hydroxy-n-[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
+COc1ccc(c(c1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)OC	67Z	1-(4-aminobenzyl)-3-{2-[(2r)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea
+CNC1=C(C(=O)NC(=N1)N)[N+](=O)[O-]	680	6-methylamino-5-nitroisocytosine
+CC(C)[C@@H]([C@@H](c1nnc(o1)C(C)(C)C)O)NC(=O)CN2C(=NC=C(C2=O)N)c3ccccc3	681	2-(5-amino-6-oxo-2-phenyl-6h-pyrimidin-1-yl)-n-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-(methylethyl)-2-hydroxyethyl]acetamide
+[H]/N=C(\N)/NCCC[C@@H]([C@@H](c1nccs1)O)NC(=O)[C@H](C(C)C)NC(=O)N	682	n~2~-(aminocarbonyl)-n~1~-{4-{[amino(imino)methyl]amino}-1-[hydroxy(1,3-thiazol-2-yl)methyl]butyl}valinamide
+Cc1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O	683	2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid
+c1ccc2c(c1)C=Cc3cc(ccc3N2Cc4cnc5c(n4)c(nc(n5)N)N)OCCCC(=O)O	684	4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5h-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid
+Cc1cc(cc(c1)Nc2nccc(n2)c3nc(c(s3)C(=O)N[C@@H](C)CO)C)C	685	2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-n-[(1s)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
+c1cc(ccc1CN(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)c2ccc(nc2)N3CCN(CC3)c4ccc(cc4)N5CCN(CC5)C(=O)c6ccc(c(c6)C7=C8C=CC(=O)C=C8Oc9c7ccc(c9)O)C(=O)O)Br	686	n-({(1s)-5-[(4-bromobenzyl)({6-[4-(4-{4-[4-carboxy-3-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoyl]piperazin-1-yl}phenyl)piperazin-1-yl]pyridin-3-yl}carbonyl)amino]-1-carboxypentyl}carbamoyl)-l-glutamic acid
+CC(=O)N[C@@H](Cc1ccc(c(c1)C=O)OP(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	687	n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3-formyl-o-phosphonotyrosinamide
+c1cc(cc(c1)Oc2cc(cc(n2)Oc3cc(ccc3O)C(=N)N)C(=O)O)c4[nH]ccn4	688	2-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1h-imidazol-2-yl)phenoxy]pyridine-4-carboxylic acid
+C[C@H]1C=C([C@@H]2[C@@H]([C@]1(CO[C@@H]2c3ccc(cc3)O)CO)C)C	689	4-[(1s,2s,5s)-5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
+Cc1c2c(sc1C(=O)O)N=CN(C2=O)C	68A	3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
+c1ccc(cc1)C(=O)Nc2cncnc2	68B	n-(pyrimidin-5-yl)benzamide
+Cc1c2c(sc1C(=O)Nc3nncs3)N=CNC2=O	68C	5-methyl-4-oxo-n-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
+Cc1c2c(sc1C(=O)Nc3ccccc3CC(=O)O)N=CNC2=O	68D	{2-[(5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl}acetic acid
+Cc1cc(c(cc1C(=O)NS(=O)(=O)c2cccc3c2nccc3)c4ccc(s4)C#CCO)OC	68E	5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-n-[(quinolin-8-yl)sulfonyl]benzamide
+C[C@H]1[C@H]([C@H]([C@@H](N1)CCCC[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O)O)O	68F	(2s,3s,4r,5s,2's,3's,4'r,5's)-2,2'-(butane-1,4-diyl)bis(5-methylpyrrolidine-3,4-diol)
+CCc1c(c2n3c1C=C4C(=C5C6=[N]4[Mg]37[N]8=C(C=C9N7C(=C6[C@](C5=O)(C(=O)OC)O)C(=C9C)CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)CC)C)C)C	68G	13'2-hydroxyl-chlorophyll a
+CC(C)(C)NC[C@@H](c1ccc(c(c1)CO)O)O	68H	salbutamol
+CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3C#CCC4(CC4)NC(=O)c5ccc(cc5)F	68J	n-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide
+CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3CCc4ccc(cn4)NC(=O)c5ccc(cc5)F	68K	n-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide
+c1cc2c(cc1NC(=O)c3ccc(cn3)Cl)[C@@]4(COC(=N4)N)c5cc(ncc5O2)C6=CCCOC6	68L	n-[(5s)-2'-amino-3-(5,6-dihydro-2h-pyran-3-yl)-5'h-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-7-yl]-5-chloropyridine-2-carboxamide
+Cc1cccnc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)NCCC(C)(C)C	68M	(2r)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-n-(3,3-dimethylbutyl)-2-methylpropanamide
+c1ccc2c(c1)CCN[C@@H]2CO	68N	[(1s)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
+CCc1cc(c(cc1F)Oc2ccccc2F)O	68O	5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol
+CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F	68P	(1s)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
+c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O	68Q	3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid
+C[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(ncn4)N)C#Cc5c[nH]nc5	68R	2-[(1s)-1-({6-amino-5-[(1h-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3h)-one
+COc1cccc(c1)S(=O)(=O)NC(=O)c2cc(c(cc2OC)OC)c3ccc(s3)C#CCO	68T	5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-n-[(3-methoxyphenyl)sulfonyl]benzamide
+CNC(=O)c1ccc2cncc(c2n1)c3ccc4c(c3)CS(=O)(=O)N4C	68U	n-methyl-8-(1-methyl-2,2-dioxo-2,3-dihydro-1h-2lambda~6~,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide
+c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Br)C(=O)O	68V	3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid
+c1ccc(cc1)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)O	68W	3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid
+C[C@@H]1CC(=O)Nc2ccc(cc2N1)O[C@H](C)c3ccccc3	68Y	(4r)-4-methyl-7-[(1r)-1-phenylethoxy]-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C3=C(C(=O)NC(=N3)N)NC2=O	68Z	1r,2s,4r)-4-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-2-oxidanyl-cyclopentyl]methyl dihydrogen phosphate
+B1(c2ccccc2[C@H](O1)CCN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)O	690	5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3r)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-n-methyl-1-benzofuran-3-carboxamide
+CC(=O)Nc1cc2ccccc2nc1	691	n-(quinolin-3-yl)acetamide
+CNCc1ccccc1c2cccs2	692	n-methyl-1-(2-thiophen-2-ylphenyl)methanamine
+c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-])F	693	2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-fluoro-6-oxido-1,1'-biphenyl-3-yl)succinate
+c1cc(ccc1c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)O	694	4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thiophene-2-carboxylic acid
+CC(=O)NCCc1cccc2c1cc(cc2)S(=O)(=O)NC	695	n-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide
+c1ccc(cc1)c2cccc(c2[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N	696	3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-1,1'-biphenyl-2-olate
+c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O	697	5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile
+CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)C(=O)O)C(=O)O	698	(2s,4s,5r)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid
+CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(F)(F)F)c3cccs3)C(=O)O)C(=O)O	699	(2s,4s,5r)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid
+C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCc3ccccc3	69A	(4r)-n-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-6-carboxamide
+C[C@@H]1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)C5CC5	69B	(4r)-6-(3-cyclopropyl-1-methyl-1h-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+CSc1c2c(c(s1)c3cc[nH]n3)C[C@@H](NC2=O)c4ccccc4	69C	(6r)-3-(methylsulfanyl)-6-phenyl-1-(1h-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5h)-one
+CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)Br	69D	(1s)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile
+C[C@@H]1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)c5cnn(c5)C	69E	(4r)-4-methyl-6-[1-methyl-3-(1-methyl-1h-pyrazol-4-yl)-1h-indazol-5-yl]-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cccc(c3)OCc4ccccc4	69F	(4r)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+C/C=C/CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C	69G	3-{6-[(2e)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl}-n,n-dimethylbenzamide
+CCCCCCc1cc(c(cc1F)Oc2ccccc2C)O	69H	4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol
+CCc1cc(c(cc1F)Oc2ccccc2[N+](=O)[O-])O	69J	5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol
+CCc1cc(c(cc1F)Oc2cccnc2C)O	69K	5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol
+c1cc(cc(c1)c2c(n[nH]c2N)c3ccc(cc3)O)c4cccc(c4)N	69M	4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1h-pyrazol-3-yl]phenol
+CCCC(=O)C(=O)O	69O	2-oxopentanoic acid
+c1[nH]c2c(n1)c(ncn2)N3CCNCC3	69P	6-piperazin-1-yl-9h-purine
+CC(C)(CNc1nc(nc(n1)Nc2ccnc(c2)C(F)(F)F)c3cccc(n3)C(F)(F)F)O	69Q	2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol
+c1cc(ccc1c2c(n[nH]c2NCc3c[nH]cn3)c4ccc(cc4)O)O	69R	4,4'-(5-{[(1h-imidazol-4-yl)methyl]amino}-1h-pyrazole-3,4-diyl)diphenol
+c1cc(cc(c1)N)c2cc(ccc2O)c3c(n[nH]c3N)c4ccc(cc4)O	69S	3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1h-pyrazol-4-yl][1,1'-biphenyl]-2-ol
+c1cc(ccc1c2cc([nH]n2)Nc3ccc(cc3)O)O	69T	4-{5-[(4-hydroxyphenyl)amino]-1h-pyrazol-3-yl}phenol
+c1cc(ccc1CNc2c(c(n[nH]2)c3ccc(cc3)O)c4ccc(cc4)O)O	69U	4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1h-pyrazole-3,4-diyl)diphenol
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)NC(=O)Cc5ccccc5	69V	2-phenyl-n-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+c1cc(cc(c1)c2cn[nH]c2N)c3cccc(c3)N	69W	4-(3'-amino[1,1'-biphenyl]-3-yl)-1h-pyrazol-5-amine
+c1ccc(cc1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(F)(F)F	69Y	4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one
+Cc1ncc2n1nc(s2)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl	69Z	[(2s)-2-(4-chlorophenyl)pyrrolidin-1-yl](5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone
+C(CC[C@@H](C(=O)O)N)CCC(=O)NO	6A0	(2s)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid
+C[N+](C)(CCNC1CCc2c3c1c(c4cc(ccc4n3cn2)OC)O)O	6A1	hydroxy(2-{[(5s)-6-hydroxy-8-methoxy-4,5-dihydro-3h-imidazo[4,5,1-de]acridin-5-yl]amino}ethyl)dimethylammonium
+CCCCCCCCCCCCCC(=O)OC[C@H]1COP(=S)(O1)[S-]	6A4	(4s)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate
+Cc1c(c(n2cc(nc2n1)C(=O)N3CCOCC3)c4ccc(cc4Cl)Cl)CN	6A5	sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone
+c1cc(ccc1[C@@H]2CCCCN2C(=O)c3ccc4c(c3)c(n[nH]4)N)F	6A6	(3-amino-1h-indazol-5-yl)[(2s)-2-(4-fluorophenyl)piperidin-1-yl]methanone
+Cc1c2cc(cnc2[nH]n1)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl	6A7	[(2s)-2-(4-chlorophenyl)pyrrolidin-1-yl](3-methyl-1h-pyrazolo[3,4-b]pyridin-5-yl)methanone
+[H]/N=C(\N)/NCCC[C@@H](B1OC[C@@H](O1)CO)NC(=O)[C@H](Cc2ccc(cc2)CN)NC(=O)c3ccccc3	6A8	((r)-1-((s)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol
+COCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O	6A9	 n-9'-methoxynonyl-1-deoxynojirimycin
+c1ccc(c(c1)C(=O)O)N	6AB	6-aminobenzoic acid
+C=CC#N	6AC	prop-2-enenitrile
+CSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N	6AD	2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate)
+C[C@H]([C@@H](C)O)Nc1ccnc(n1)Nc2ccc(cc2)S(=O)(=O)N	6AE	4-[(4-{[(2r,3r)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide
+C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)Br)O	6AF	(2r,3r)-3-[(5-bromo-2-{[4-(s-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol
+C(CCCO)CCN	6AH	6-aminohexan-1-ol
+c1cc2cn[nH]c2cc1N	6AI	1h-indazol-6-amine
+CN1C(=O)CN2C1=Nc3c(n(c(n3)N4CCC[C@H](C4)N)Cc5cc(ccc5C#N)F)C2=O	6AJ	2-({2-[(3r)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1h-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cc(cc6c5ccn6C)C(=O)O)c7c(nn(c7C)C)C)Cl	6AK	4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}-1-methyl-1h-indole-6-carboxylic acid
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)Nc4cccc(c4)C(=O)O)c5c(nn(c5C)C)C)Cl	6AL	3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-1h-indole-2-carbonyl}amino)benzoic acid
+c1(nc(nc(n1)O)N)N	6AM	4,6-diamino-1,3,5-triazin-2-ol
+c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=C3C=CCC=C3	6AN	6-[(1e)-cyclohexa-2,4-dien-1-ylideneamino]naphthalene-2-sulfonate
+[H]/N=C/[C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](CC)N	6AO	(2s)-2-azanyl-n-[(2s)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide
+c1[nH]c2c(n1)c(nc(n2)N)N	6AP	9h-purine-2,6-diamine
+c1cc(ccc1n2ccnc2)F	6AQ	1-(4-fluorophenyl)-1h-imidazole
+c1cc(ccc1n2ccnc2)Br	6AR	1-(4-bromophenyl)-1h-imidazole
+CCCCCCSC1=C([C@@](C(CC1=O)(C)C)(/C=C/C(=C\C(=O)O)/C)O)C	6AS	(2z,4e)-5-[(1s)-3-(hexylsulfanyl)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
+CSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N	6AT	2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate)
+CC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	6AU	6-acetyluridine 5'-phosphate
+c1cc(c(cc1Cl)N)n2ccnc2	6AV	5-chloro-2-(1h-imidazol-1-yl)aniline
+CC[C@@H](CC[C@H](CC)NC(=O)OCc1cncs1)NC(=O)[C@H](CO)NC(=O)N(C)Cc2csc(n2)C(C)C	6AW	1,3-thiazol-5-ylmethyl [(3s,6s)-6-{[n-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-seryl]amino}octan-3-yl]carbamate
+c1cc(ccc1Cc2nnc(o2)N)Cl	6AX	5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
+Cn1c2c(cn1)c(ncn2)NCc3ccc(cc3)Cl	6AY	n-[(4-chlorophenyl)methyl]-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N=[N+]=[N-]	6AZ	6-azidouridine 5'-(dihydrogen phosphate)
+c1cc(c(c(c1)Cl)Cl)CO	6B0	(2,3-dichlorophenyl)methanol
+c1c2c(cc(c1Cl)Cl)nc([nH]2)CO	6B1	(5,6-dichloro-1h-benzimidazol-2-yl)methanol
+CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NS(=O)(=O)CC(C)C)c4ccc(cc4)Cl)C	6B2	n-[(2r,3s)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide
+c1ccc2c(c1)-c3ccc(cc3NC2=O)NC(=O)c4ccccc4c5ccccc5C(=O)O	6B3	2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid
+CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N	6B4	1-(4-aminobenzyl)-3-(2-{(2r)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea
+COc1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O	6B5	2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4h-1-chromen-4-one
+O[Pt](O)(O)O	6B6	platinum(4+) tetrahydroxide
+CCCOC(=O)CS[C@@H]1[C@@H](C(=N[C@@H]1C(=O)O)[C@H](C=O)[C@@H](C)O)C	6B7	(2~{r},3~{r},4~{r})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-2-carboxylic acid
+C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)SC	6B8	(2s,3r,4r)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+c1cc(c(cc1/N=C/S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O	6B9	2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[(e)-(sulfanylmethylidene)amino]benzoic acid
+c1ccc(c(c1)n2cc(cn2)c3ccncc3OCC4CCNCC4)F	6BB	4-[1-(2-fluorophenyl)-1h-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine
+c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C#N)Cl	6BC	5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+C[C@@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)O	6BD	(2s)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid
+CC(C)COc1cnccc1c2cnn(c2)c3ccc(cc3)N4CCN(CC4)C	6BE	1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1h-pyrazol-1-yl}phenyl)piperazine
+CN1CCN(CC1)c2ccc(cc2)n3cc(cn3)c4ccncc4OCC5CCNCC5	6BF	1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1h-pyrazol-1-yl)phenyl]piperazine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)Br	6BG	6-bromo-6-deoxy-beta-d-glucopyranose
+c1ccc(cc1)COc2cccc(c2)NC(=O)c3cccc(c3)[N+](=O)[O-]	6BH	n-[3-(benzyloxy)phenyl]-3-nitrobenzamide
+c1ccnc(c1)CNC(=O)c2ccc(cc2)n3cc(cn3)c4ccncc4	6BJ	n-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1h-pyrazol-1-yl]benzamide
+c1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O	6BK	2-(3,4-dihydroxyphenyl)-5-hydroxy-4h-1-benzopyran-4-one
+Cc1c-2c([nH]n1)OC(=O)c3c2cccc3	6BL	1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3h)-one
+C1C[C@@H](C(=O)N(C1)O)P(=O)(O)O	6BM	[(3s)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid
+CCC1=C(C(=O)NC(=C1)C)CN2CCc3c(cc(c(c3C2=O)Cl)OC4CCN(CC4)C(=O)[C@@H](C)O)Cl	6BN	5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2r)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2h)-one
+Br[Pt](Br)(Br)(Br)(Br)Br	6BP	hexabromoplatinate(iv)
+C[C@@H]1CC/C=C/C[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)OP(=O)(O)O)CCO)C)O	6BQ	phosphorylated josamycin
+C[C@H]([C@@H](C(=O)O)N)O[V](=O)([O-])([O-])[O-]	6BR	threoninevanadate
+Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NCCC(C)(C)C	6BS	3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-(3,3-dimethylbutyl)propanamide
+c1ccc2c(c1)CCN[C@H]2CO	6BT	[(1r)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
+c1cc(cc(c1)NS(=O)(=O)C2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5	6BU	n-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1h-indazol-3-yl)cyclopropanecarboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	6BV	(2~{r},3~{s},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol
+C[C@@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C	6BW	(2r,5s,10r)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene
+C1COCCN1C[C@@H](CS(=O)(=O)O)O	6BX	(2s)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid
+C1COCCN1C[C@H](CS(=O)(=O)O)O	6BY	(2r)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid
+CC1=NC=CN(C1=O)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCN)NC	6BZ	8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2h)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(o3)Cl)Cl)O)O	6C0	methyl 3-chloro-2-(2-{1-[(5-chlorofuran-2-yl)methyl]-1h-imidazol-2-yl}ethyl)-4,6-dihydroxybenzoate
+B(c1ccccc1OCc2cccc(c2)Cl)(O)O	6C1	{2-[(3-chlorophenyl)methoxy]phenyl}boronic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)C(=O)O)O)O	6C2	methyl 2-acetamido-2-deoxy-beta-d-glucopyranosiduronic acid
+Cc1cc(on1)C2=C(c3cc(ccc3NC2=O)Cl)c4ccccc4	6C3	6-chloro-3-(3-methylisoxazol-5-yl)-4-phenylquinolin-2(1h)-one
+C1CCC(C1)CNC(=O)C2CCCC2	6C4	n-(cyclopentylmethyl)cyclopentanecarboxamide
+C1CCC(C1)CNC(=O)N2CCCC2	6C5	n-(cyclopentylmethyl)pyrrolidine-1-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC4CCCC4	6C6	 n-cyclopentyladenosine 5'-(dihydrogen phosphate)
+CC(=CCSP(=O)(O)OP(=O)(O)O)C	6C7	s-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate
+c1cocc1/C=C/C(=O)N2CCCC2	6C8	(2e)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
+C1CCN(C1)C(=O)NC[C@@H]2CCOC2	6C9	n-{[(3s)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O	6CA	4'-{6-[4-(2-carboxyphenylamino)-phenoxy]-hexyloxy}-biphenyl-4-carboxylic acid
+Cc1cc(cc(n1)N)c2ccncc2NC(=O)c3c(ccc(n3)c4ccccc4F)N	6CB	3-amino-n-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide
+c1cc(c(cc1c2csc(n2)N)S(=O)(=O)N)Cl	6CC	5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide
+C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C)NC(C)(C)C)C(=O)N1	6CD	2-(tert-butylamino)-3-methyl-8-[(6r)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3h)-one
+c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)SC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4NC(=NC5=O)N)O)O	6CE	5'-s-[(s)-hydroxy{[2-(1h-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O	6CF	2'-deoxy-5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O)O)O)NC(=NC2=O)N	6CG	5'-s-phosphono-5'-thioguanosine
+CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@]1C[C@@H]2c3cc(nn3C)c4ccc(cc4)OC	6CH	[(1~{s},2~{r},4~{s},5~{r})-5-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl ~{n}-propylcarbamate
+c1ccc(cc1)C2=CC(=C3N(C2=O)c4cc(ccc4S3)OC5CCCCC5)C(=O)N[C@@H](Cc6ccc(cc6)O)C(=O)O	6CJ	n-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1h-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-l-tyrosine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)O)O)N=C(NC2=O)N	6CK	[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(trifluoromethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate (non-preferred name)
+C(C[C@H](C(=O)O)[NH3+])C[C@@H](C(=O)O)N	6CL	6-carboxylysine
+CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO)NC(=O)CCCCC)O	6CM	n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)hexanamide
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N	6CN	6-cyanouridine 5'-phosphate
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccccc9)C=C)C	6CO	[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)](phenyl)iron
+c1cc(cc(c1)Cl)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	6CP	6-cyclohexylmethoxy-2-(3'-chloroanilino) purine
+Cc1cccc(c1)[Fe]234n5c6c(c(c5C=C7[N]2=C(C=C8N3C(=CC9=[N]4C(=C6)C(=C9C)C=C)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C=C)C	6CQ	[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)](3-methylphenyl)iron
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)nc(nc2Cl)N	6CR	6-chloro-9-(beta-d-ribofuranosyl)-9h-purin-2-amine
+CC1=N[C@@H]([C@H](CN1)O)C(=O)O	6CS	(4s,5s)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@@H]1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C	6CT	phosphoric acid mono-[5-hydroxymethyl-2-methyl-3-thyminyl-cyclopentylmethyl]ester group
+CC[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c4ccccc4[nH]c3C2(C)C)C	6CU	(6as,9r,10r,10as)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole
+c1cc(cc(c1)Br)C[C@@H](C(=O)O)N	6CV	3-bromo-l-phenylalanine
+c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)O)N	6CW	6-chloro-l-tryptophan
+c1c(nc[nH]1)CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	6CX	5'-{[(3s)-3-amino-3-carboxypropyl][(1h-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine
+CC(=O)N1CCN(CC1)C(=O)c2cccc(c2)c3c4cc(ccc4ncn3)c5cc(c(nc5)OC)C#N	6CY	5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile
+CCOC(=O)C(=O)CN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6CZ	5'-{[(3s)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CC(=O)CBr)O)O)N	6D0	5'-{[(3s)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCCl)O)O)N	6D1	5'-{[(3s)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine
+[H]/N=C(/N)\NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6D2	5'-{[(3s)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine
+c1c(nnn1CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C[C@@H](C(=O)O)N	6D3	(2s)-2-amino-4-[(3-{4-[(2s)-2-amino-2-carboxyethyl]-1h-1,2,3-triazol-1-yl}propyl){[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCNNN)O)O)N	6D4	5'-{[(3s)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN=[N+]=[N-])CC[C@@H](C(=O)O)N)O)O)N	6D5	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN)CC[C@@H](C(=O)O)N)O)O)N	6D6	5'-{[(3s)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine
+CNC(=O)c1ccc2cc(ccc2c1)[C@@]3(CCn4c3cnc4)O	6D7	(r)-orteronel
+CC(C)[C@](c1ccc2cc(c(cc2c1)OC(F)F)OC(F)F)(c3c[nH]nn3)O	6D8	vt-464
+c1ccc(cc1)c2cc3c(cn2)ncc4c3n(cn4)c5ccc6c(c5)sc(n6)NCCN7CCOCC7	6DA	n-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1h-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O	6DB	octopine
+CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(=O)N(C=N3)C	6DC	n-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(c2)c(nc(n3)N)O)C=O	6DD	n-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)methyl](formyl)amino}benzoyl)-l-glutamic acid
+CCOC(=O)c1c(nn(c1C)c2ccccc2Cl)C	6DE	1-(2-chlorophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](C)c2ccccc2)O	6DF	[6-methyl-5-oxidanyl-4-[(~{e})-[(1~{r})-1-phenylethyl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
+c1cnc2c3c(nn2c1)CN(C3)[C@@H]4C[C@@H]([C@H](OC4)c5cc(ccc5F)F)N	6DG	(2r,3s,5r)-2-(2,5-difluorophenyl)-5-(7h-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9h)-yl)oxan-3-amine
+c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO	6DH	3-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]propan-1-ol
+CCCC/N=C\1/N2C[C@@H]([C@H]([C@H]([C@H]2CS1)O)O)O	6DJ	(3z,6s,7r,8s,8as)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol
+c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O	6DK	9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{n}-phenyl-nonanamide
+c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F	6DL	5-(5-bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O	6DM	6-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose
+C(CCNCC(=O)O)C[C@@H](C(=O)O)N	6DN	(2~{s})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC	6DO	(2~{s})-2-[[(2~{r},3~{r})-3-methoxy-3-[(2~{s})-1-[(3~{r},4~{s},5~{s})-3-methoxy-5-methyl-4-[methyl-[(2~{s})-3-methyl-2-[[(2~{s})-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid
+CS(=O)(=O)Nc1cccc2c1cn[nH]2	6DP	~{n}-(1~{h}-indazol-4-yl)methanesulfonamide
+c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3	6DQ	2-pyridin-3-yl-1,3-benzothiazin-4-one
+CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccncc3	6DR	6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
+CCC(CC)(c1ccc(c(c1)C)/C=C/C(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O	6DS	(4s)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid
+Cn1ccc2c1c(ncn2)Oc3ccc(cc3)Nc4[nH]c5ccccc5n4	6DT	n-(4-((5-methyl-5h-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1h-benzimidazol-2-amine
+c1ccc(c(c1)C[C@@H](C(=O)O)N)Br	6DU	2-bromo-l-phenylalanine
+c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCN4CCN(CC4)c5ccc(cc5F)F	6DV	n~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
+c1ccc(cc1)n2c(ccn2)C3=NN(C=C(C3=O)OCCN4CCn5c4nc6c5cccc6)CC7CC7	6DW	1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1h-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one
+c1ccc(cc1)N2CCN(CC2)CCCNc3nc(n4c(n3)nc(n4)c5ccco5)N	6DX	2-(furan-2-yl)-n~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
+c1ccc(cc1)C2CCN(CC2)CCNc3nc(n4c(n3)nc(n4)c5ccco5)N	6DY	2-(furan-2-yl)-n~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
+CN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco4)N	6DZ	2-(furan-2-yl)-n~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
+CCCCCCCCCCCCCCCCCCP(=O)(O)O	6E0	octadecylphosphonic acid
+COc1c(c(c(c(c1F)F)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4c(c(c(c(c4F)F)OC)F)F)O)CO)O)F)F	6E1	3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-d-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-d-galactopyranoside
+COc1c(ccc2c1N=C(N3C2=NCC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5	6E2	2-azanyl-~{n}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide
+CC1=C(N2C(=C(C(=O)N2C1=O)C)C)C	6E3	2,3,5,6-tetramethyl-1h,7h-pyrazolo[1,2-a]pyrazole-1,7-dione
+C(CC(=O)N)[C@@H](C(=O)N)N	6E4	l-glutamamide
+[H]/N=C(/c1cccs1)\Nc2cccc(c2)COC[C@@H]3C[C@@H](CN3)OCc4cccc(c4)N/C(=N\[H])/c5cccs5	6E5	n-[3-({[(3s,5s)-5-{[(3-{[(z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide
+c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@H](CO)O)C#N	6E6	1-[(2r)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+c1ccc(cc1)CCNC(=O)c2ccnc(c2)c3cc(ccn3)C(=O)O	6E7	4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid
+CC1=C(C(=O)n2c(c(cn2)C#N)N1)C(C)C	6E8	5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CN(c1cccc(c1)OC)S(=O)(=O)c2ccc3c(c2)NC(=O)C(=O)N3	6E9	n-(3-methoxyphenyl)-n-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
+c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cncc4c3ccc(n4)c5ccncc5)N	6EA	(1s)-1-(1h-indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine
+Cn1cc(nc1)c2c3c(ccn2)c(nc(n3)OCCCC(F)(F)F)O	6EB	8-(1-methyl-1h-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol
+c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)C(=O)O)O	6EC	5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid
+c1cc2c(cc1F)c(nn2CCN3CCC(CC3)(F)F)Nc4cnccc4C(=O)O	6ED	3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1h-indazol-3-yl}amino)pyridine-4-carboxylic acid
+c1cc(ccc1[C@@H](c2cc(cc(c2)F)F)[C@@H](C(=O)Nc3cncc(c3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCC(F)(F)F)F)N)Cl	6EE	(betas)-4-chloro-beta-(3,5-difluorophenyl)-n-(5-fluoro-4-{2-[(2r,5s)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-l-phenylalaninamide
+COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCc5ccccc5	6EF	n-(2-{2-[(2r,5s)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[C@@H](CO)NCc4ccc(cc4)N	6EG	n-{2-[(3s)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)NCCC[C@@H]3CNCCO3	6EH	nalpha-(methoxycarbonyl)-n-{3-[(2r)-morpholin-2-yl]propyl}-beta-phenyl-l-phenylalaninamide
+Cc1ccc(cc1)OS(=O)(=O)O	6EI	(4-methylphenyl) hydrogen sulfate
+c1cc(c2c3c1C=CC(=O)N3C[C@H]2CN4CCC(CC4)NCc5cc6c(nn5)OCCO6)F	6EJ	(1r)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-4-one
+c1c([nH]c(n1)N)C[C@@H](C(=O)N[C@@H]([C@@H](c2cnc([nH]2)Cl)O)C(=O)O)NC(=O)[C@H](C[C@@H](COC(=O)N)O)NC(=O)[C@@H]3[C@H](CCCN3)O	6EK	(2s,3s)-2-{[(2s)-3-(2-amino-1h-imidazol-5-yl)-2-{[(2s,4s)-5-(carbamoyloxy)-4-hydroxy-2-({[(2s,3s)-3-hydroxypiperidin-2-yl]carbonyl}amino)pentanoyl]amino}propanoyl]amino}-3-(2-chloro-1h-imidazol-5-yl)-3-hydroxypropanoic acid
+c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O	6EL	2-[(3~{r})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione
+CC[C@@H](C(=O)N)[N+](C)(C)C	6EM	(2s)-1-amino-n,n,n-trimethyl-1-oxobutan-2-aminium
+Cn1cc(c2c1nccc2)Nc3cnccc3C(=O)O	6EN	3-[(1-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid
+c1cc(ccc1CC(=O)Nc2cnccc2C(=O)O)Cl	6EO	3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid
+Cc1cc(ccc1COc2ccnn2c3cc(ccn3)C(=O)O)Cl	6EP	2-{5-[(4-chloro-2-methylphenyl)methoxy]-1h-pyrazol-1-yl}pyridine-4-carboxylic acid
+c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)O)C(=O)O	6EQ	4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid
+CCCCCC(=O)OC[C@@H](COP(=O)([OH-])OCC[N+](C)(C)C)OC(=O)CCCCC	6ER	(s)-2,3-bis(hexanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate
+CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)O)O)O	6ES	(2s)-1-{[(r)-hydroxy{[(1r,2r,3s,4s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate
+c1cc(ccc1CCNC(=S)N2CCCc3cc(c(cc3C2)O)O)Cl	6ET	capsazepine
+C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)Cc6ccc(c(c6)OC)O)O)C)O[C@](O3)(O2)Cc7ccccc7)C(=C)C	6EU	resiniferatoxin
+CSc1c2c(cs1)C=CC(=C)C2=O	6EV	5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5h)-one
+CCN1c2ccc(cc2OCC(C1=O)(C)C)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C	6EW	n-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-n-(2,2,2-trifluoroethyl)benzene-1-sulfonamide
+CC(=O)n1ccnc1	6EX	1-(1h-imidazol-1-yl)ethan-1-one
+c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl	6EY	(6r)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1h)-one
+c1cc(ccc1c2ccc(c(c2)NC(=O)C3C[C@H]4CC[C@@H](C3)O4)N)F	6EZ	(3-exo)-n-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide
+c1cc(c(c(c1)F)C(=O)O)N	6F0	2-azanyl-6-fluoranyl-benzoic acid
+CCN1c2ccc(cc2OCC1=O)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C	6F1	n-(4-ethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-3,4-dimethyl-n-(2,2,2-trifluoroethyl)benzene-1-sulfonamide
+Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N6CCN(CC6)C	6F2	[3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
+CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O	6F3	n-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide
+c1cc(sc1)CNc2nnc(s2)N	6F4	n~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine
+CC(C)CCCCC(=O)O	6F5	6-methylheptanoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)COP(=O)(O)O)O	6F7	3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate)
+CCC/C=C\C/C=C\CCCCCCCc1cccc(c1O)O	6F8	3-[(8z,11z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol
+CCC(=O)N1CCOc2c(cc(cc2C(=O)N[C@H]3CCCN(C3)C)c4cc(cc(c4)OC)OC)C1	6F9	7-(3,5-dimethoxyphenyl)-n-[(3s)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
+Cc1cc2c(c(c1C)O)N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	6FA	6-hydroxy-flavin-adenine dinucleotide
+c1cncc2c1cc3c(c2)cnc(n3)N	6FB	pyrido[3,4-g]quinazolin-2-amine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)(O)O)O)SC(F)(F)F	6FC	2'-trifluoromethylthio-2'-deoxycytidine
+c1cncc2c1c(c3c(c2)cnc(n3)N)N	6FD	pyrido[3,4-g]quinazoline-2,10-diamine
+CN(C)c1ccc(cc1)C(=C2C=CC(C=C2)N(C)C)c3ccc(cc3)OC	6FE	4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-n,n-dimethyl-aniline
+CCCN(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F	6FF	5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methyl-n-propylbenzene-1-sulfonamide
+c1cocc1CCC(=O)N2CCCC2	6FG	3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one
+CC[C@H](C)CCCCC(=O)O	6FH	(6~{s})-6-methyloctanoic acid
+CN(Cc1ccco1)C(=O)c2cc(c(cc2O)O)C3=NNC(=O)N3c4ccccc4F	6FJ	5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-n-[(furan-2-yl)methyl]-2,4-dihydroxy-n-methylbenzamide
+CC(=O)N(c1ccccc1)c2nc3c(n2[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)NC(=NC3=O)N	6FK	[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+C([C@@H](C(=O)O)N)C(C(F)(F)F)C(F)(F)F	6FL	5,5,5,5',5',5'-hexafluoro-l-leucine
+C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)O	6FM	2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate)
+C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O	6FN	2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate)
+c1c(nc2c(n1)N=C(NC2=O)N)C=O	6FP	2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde
+c1cc(cc(c1)N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)c5[nH]nnn5	6FQ	2,4-dioxo-10-[3-(1h-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile
+C1CCC(C1)CCS(=O)(=O)N2CCCC2	6FR	1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine
+COc1ccc(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC	6FS	n-[2-methoxy-5-({[(e)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine
+c1cc(ccc1CN2C=C(C(=O)C(=C2)O)C(=O)O)c3ccc(cc3)S(=O)(=O)N	6FT	5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)(O)O)O)SC(F)(F)F	6FU	2'-trifluoromethylthio-2'-deoxyuridine
+c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O	6FV	10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile
+c1cc(ccc1Sc2nc3c(n2[C@H]4[C@@H]([C@H]5[C@H](O4)COP(=O)(O5)O)O)NC(=NC3=O)N)Cl	6FW	2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6h-purin-6-one
+COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O	6FX	methyl 5-(4-oxidanylidene-5~{h}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate
+CC[C@H](C(=O)NCC(=O)O)O[P@H](=O)CC[C@@H](C(=O)O)N	6FY	(2~{s})-2-azanyl-4-[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid
+c1ccc2c(c1)CC(C2)C(=O)O	6FZ	2,3-dihydro-1h-indene-2-carboxylic acid
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	6G0	5'-o-[(r)-hydroxy{[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCC4	6G1	cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
+c1cnccc1COc2cc(cnc2N)c3cnc(s3)C4CCNCC4	6G2	5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine
+CC(C)c1nc(c2n1ccnc2N)c3ccc(c4c3cccc4)NC(=O)Nc5cccc(c5)C(F)(F)F	6G3	n-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-n'-[3-(trifluoromethyl)phenyl]urea
+CCCCCC(=O)CCC(=O)NCCCC[C@@H](C(=O)O)N	6G4	4-oxononanoyl lysine
+C[n+]1cn(c2c1c(nc(n2)N)[O-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)OP(=O)(O)O)(Cl)Cl)O)O)OC	6G6	2-amino-9-{5-o-[(r)-{[(s)-{dichloro[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-o-methyl-beta-d-ribofuranosyl}-7-methyl-9h-purin-7-ium-6-olate
+c1ccc(c(c1)N2C(=NNC2=O)c3ccc(cc3O)O)F	6G7	5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+c1cc2c(cc1NC(=O)C(=O)O)sc(n2)NC(=O)c3cc(c([nH]3)Br)Br	6G9	2-[[2-[[4,5-bis(bromanyl)-1~{h}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid
+c1ccc(cc1)CNC(=O)[C@H](Cc2ccc(cc2)F)C(=O)NO	6GA	(2s)-n~1~-benzyl-2-[(4-fluorophenyl)methyl]-n~3~-hydroxypropanediamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O	6GB	6-o-(6-o-phosphono-beta-d-glucopyranosyl)-beta-d-glucopyranose
+CCCCN(C)C(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F	6GC	n-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methylbenzamide
+CC(C)(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3c4cc(ccc4n[nH]3)F	6GD	6-(tert-butylsulfonyl)-n-(5-fluoro-2h-indazol-3-yl)quinolin-4-amine
+Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O	6GE	4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol
+COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4	6GF	6-(4-methoxyphenyl)-n~4~,n~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine
+c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl	6GG	4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1h-imidazol-5-yl}-1h-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid
+c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4	6GH	n~4~,n~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine
+c1ccn2cc(nc2c1)COc3ccc(cc3)C4NC(=Nc5n4c6cc7c(cc6n5)OCCCO7)N	6GI	13-[4-({imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine
+CCCC/N=C/1\N2[C@H](CS1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O	6GJ	(3e,5s,6r,7s,8s,8as)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol
+COc1ccccc1c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4	6GK	6-(2-methoxyphenyl)-n~4~,n~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine
+C(C[C@@H](C(=O)O)N)COP(=O)(O)O	6GL	5-(phosphonooxy)-l-norvaline
+c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O	6GM	4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol
+c1ccc2c(c1)c(cc[n+]2CCCNC(=O)CCC(=O)NCCOCCOCCN)Cc3[n+](c4ccccc4s3)CCCS(=O)(=O)O	6GN	1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium
+COc1c2c(nc[nH]2)nc(n1)N	6GO	6-o-methylguanine
+COC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	6GP	n-[methoxy(oxo)acetyl]-beta-d-glucopyranosylamine
+Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)c3ccccn3	6GQ	n,4-dimethyl-n-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide
+c1ccc(c(c1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O	6GR	2-(alpha-l-altropyranosyloxy)benzoic acid
+C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)F	6GS	2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate)
+C(CCC(=O)O)CC(=O)C(=O)O	6GT	2-oxoheptanedioic acid
+c1[nH]c2c(n1)c(nc(n2)N)Cl	6GU	6-chloroguanine
+CC(C)N(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F	6GV	5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methyl-n-(propan-2-yl)benzene-1-sulfonamide
+Cc1ccccc1N2C(=NNC2=O)c3cc(c(cc3O)O)C(=O)N(C)Cc4cccs4	6GW	2,4-dihydroxy-n-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-n-[(thiophen-2-yl)methyl]benzamide
+Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC)CNCCNC(=O)C	6GX	n-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide
+CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	6GY	5-chloro-n~4~-[2-(dimethylphosphoryl)phenyl]-n~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine
+Cc1c(cccc1c2ccccc2)COc3ccc(cc3Br)CN4CCCC[C@@H]4C(=O)O	6GZ	(2r)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid
+c1cc(cc(c1)OCCCCNC=O)CNC(=O)c2ccc(cc2)S(=O)(=O)N	6H0	~{n}-[[3-(4-formamidobutoxy)phenyl]methyl]-4-sulfamoyl-benzamide
+c1cc(ccc1Cc2cc3c(cc2O)OCO3)C(F)(F)F	6H1	6-{[4-(trifluoromethyl)phenyl]methyl}-2h-1,3-benzodioxol-5-ol
+c1ccn2cc(nc2c1)c3ccc(c(c3)O)O	6H2	4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)Cl	6H3	n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4ccccc4NC(=O)C=C)Cl	6H4	n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
+[H]/N=C(/NCc1c(cccc1Oc2cccc(c2)OC)N3CCCCC3)\NC(=O)c4ccc(cc4)C[C@@H](C(=O)O)N	6H5	4-[(n-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-l-phenylalanine
+c1ccc2c(c1)N(C(=O)O2)CCC(=O)O	6H6	3-(2-oxo-1,3-benzoxazol-3(2h)-yl)propanoic acid
+[H]/N=C(/N)\Nc1ccc2c(c1)[nH]c(n2)NC	6H8	n-[2-(methylamino)-1h-benzimidazol-6-yl]guanidine
+CNc1[nH]c2ccc(cc2n1)C(=O)NN	6H9	2-(methylamino)-1h-benzimidazole-5-carbohydrazide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N	6HA	1',5'-anhydro-2',3'-dideoxy-2'-(adenin-9-yl)-6'-o-phosphoryl-d-arabino-hexitol
+C=C[C@@H](CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)O	6HB	2'-deoxy-n-[(2s)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate)
+C1[C@@H](CO[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N	6HC	1',5'-anhydro-2',3'-dideoxy-2'-(cytosin-1-yl)-6'-o-phosphoryl-d-arabino-hexitol
+CNc1[nH]c2ccc(cc2n1)C(=O)N	6HD	2-(methylamino)-1h-benzimidazole-5-carboxamide
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Fe@@]3(N45)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)C	6HE	6-methy-6-depropionatehemin
+CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cc[nH]4)c(n3)Oc5ccc(cc5)NC(=O)C=C	6HF	n-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N=C(NC2=O)N	6HG	1',5'-anhydro-2',3'-dideoxy-2'-(guanin-9-yl)-6'-o-phosphoryl-d-arabino-hexitol
+c1cc(ccc1c2cc(c(nc2)N)c3ccc(cc3)Cl)C4(CCCC4)C(=O)O	6HH	1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid
+CC(C)n1c(c(nc1C(=O)NCc2ccc(cc2)F)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O	6HI	(3r,5r)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1h-imidazol-5-yl}-3,5-dihydroxyheptanoic acid
+Cn1cc(c2c1cccc2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N	6HJ	(r)-1-(3-(4-amino-3-(1-methyl-1h-indol-3-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
+Cn1cncc1c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)OC	6HK	methyl [3-(1-methyl-1h-imidazol-5-yl)-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]acetate
+C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cccc5c4cccc5)c(ncn3)N	6HL	(r)-1-(3-(4-amino-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
+c1ccc(cc1)c2ccccc2CC(C(=O)O)C(=O)O	6HM	[([1,1'-biphenyl]-2-yl)methyl]propanedioic acid
+C(CC[N+](=O)[O-])C[C@@H](C(=O)O)N	6HN	6-nitro-l-norleucine
+c1cc(cc(c1)F)C(=O)N2CC=CC2	6HO	(2,5-dihydro-1h-pyrrol-1-yl)(3-fluorophenyl)methanone
+CC(C)COC1=CC(=O)N(C(=O)N1C)C	6HP	1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1h,3h)-dione
+CC1(C(=O)NC(=O)N1C)C	6HQ	1,5,5-trimethylimidazolidine-2,4-dione
+Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO	6HR	3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CO)N)N)N)O	6HS	(1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](OC2)COP(=O)(O)O)O	6HT	1',5'-anhydro-2',3'-dideoxy-2'-(thymin-1-yl)-6'-o-phosphoryl-d-arabino-hexitol
+Cc1ccccc1c2cc(c(cc2C)OCCN)Nc3ccn(n3)C[C@@H](CO)OC	6HU	(2s)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1h-pyrazol-1-yl)-2-methoxypropan-1-ol
+Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3	6HV	(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone
+Cc1ccccc1c2cc(ccc2C)Nc3nccs3	6HW	n-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine
+Cc1ccc(cc1c2ccccc2Cl)N	6HX	2'-chloro-6-methyl[1,1'-biphenyl]-3-amine
+C1=CC(=O)NC=C1C(=O)CCC(=O)O	6HY	4-oxidanylidene-4-(6-oxidanylidene-1~{h}-pyridin-3-yl)butanoic acid
+Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3	6HZ	(2,5-dihydro-1h-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone
+Cc1ccc2c3cccc(c3[nH]c2n1)C4CC4	6I4	8-cyclopropyl-2-methyl-9h-pyrido[2,3-b]indole
+CC1(CC(CC(O1)(C)C)c2cc(n(n2)c3ccccc3OC)c4ccc(cc4)Cl)C	6I7	5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole
+CC(C)CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	6IA	n6-isopentenyl-adenosine-5'-monophosphate
+CNCCc1ccc(c(c1)Cc2cc(cc(c2OC)Cc3cc(ccc3OC)CCNC)CCNC)OC	6IB	2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{n}-methyl-ethanamine
+C#Cc1c(ccc2c1c(cc(c2)O)c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)F	6IC	4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2r,4r,7as)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol
+[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCN/C(=N\[H])/N)C(=O)N[C@H](CCCN/C(=N\[H])/N)C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c2c3cc[nH]c3ncn2	6ID	~{n}-[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-azanyl-5-[[$l^{1}-azanyl($l^{2}-azanylidene)methyl]-$l^{2}-azanyl]-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide
+C[C@@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)[C@@H]2[C@H]3[C@@H](C[C@@H](CCO3)CC(C)C)CN2)Cl	6IF	methyl 7-chloro-6,7,8-trideoxy-6-{[(4s,5as,8s,8ar)-4-(2-methylpropyl)octahydro-2h-oxepino[2,3-c]pyrrole-8-carbonyl]amino}-1-thio-l-threo-alpha-d-galacto-octopyranoside
+CCc1c(c(nc(n1)N)NCCc2ccccc2)c3ccc4c(c3)N(CCC4)CCCOC	6IG	6-ethyl-5-[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]-n~4~-(2-phenylethyl)pyrimidine-2,4-diamine
+COc1cc(c(cc1OC)[N+](=O)[O-])C[S@@+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	6IH	4,5-dimethoxy-2-nitro benzyme s-adenosyl-methionine
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@@](C3)(CNC(=O)c4ccc(cc4)CN5CC6([C@@H]5C7CC7)CCC6)O	6IK	4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3s)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCC(=O)O)CC(=O)N	6IN	4-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-butyric acid
+c1cnc(nc1NC2CCC(CC2)Nc3ccnc(n3)C(F)(F)F)C(F)(F)F	6IO	~{n}1,~{n}4-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
+c1cc(nc(c1)N)CCc2ccc3cc[nH]c3c2	6IP	6-[2-(1h-indol-6-yl)ethyl]pyridin-2-amine
+c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)NCCN	6IR	5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide
+c1cc2nnc(n2nc1NC3CCC(CC3)Nc4ccnc(n4)C(F)(F)F)Cl	6IT	~{n}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{n}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
+CC(=O)NCCNC(=O)C[N+](=O)[O-]	6IU	n-(2-acetamidoethyl)-2-nitro-ethanamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OCc2ccccc2)C(=O)NC(C)(C)C)N(C)Cc3ccc(cc3)C(C)(C)C	6IX	(2~{s})-~{n}-[(2~{s})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)OCCN	6IY	(10r,13s)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate
+c1cc(cc(c1)F)CCNCCNc2ccnc(n2)n3ccnc3	6J0	n-[2-(3-fluorophenyl)ethyl]-n'-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
+Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]	6J1	2,6-dinitro-p-cresol
+C[C@@H](C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	6J2	coenzyme f420-0
+Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O	6J3	2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
+C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	6J4	coenzyme f420-3
+c1ccc(c(c1)OCc2[nH]nnn2)Cl	6J5	5-[(2-chloranylphenoxy)methyl]-1h-1,2,3,4-tetrazole
+c1cc(c(cc1[C@H]2CC(=O)c3cc(ccc3O2)O)O)O	6J6	(2~{r})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(nc3Br)C(=O)NC(=N4)N)O)OP(=O)(O1)O	6J7	2-amino-8-bromo-9-[(2r,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6h-purin-6-one
+CN(C(=O)C[C@@H](CCCc1ccc(cc1)OC)CP(=O)(O)O)O	6J8	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methoxyphenyl)pentyl]phosphonic acid
+c1c[nH]c2c1c(ncn2)N3CCNCC3	6J9	4-(piperazin-1-yl)-7h-pyrrolo[2,3-d]pyrimidine
+CCC1(C(=O)NC(=O)NC1=O)CC[Se]C#N	6JA	2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl selenocyanate
+CN(C(=O)C[C@@H](CCCc1cccc(c1)OC)CP(=O)(O)O)O	6JB	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methoxyphenyl)pentyl]phosphonic acid
+Cc1c(c(on1)C)c2cc3cc[nH]c3nc2	6JC	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
+c1cc(ccc1O)S(=O)(=O)c2ccc(cc2)O	6JD	4-(4-hydroxyphenyl)sulfonylphenol
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)O)c5ccc(cc5)Cl)C	6JE	2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(4-hydroxyphenyl)acetamide
+Cc1c(c(on1)C)c2cc3c(c(cn3[C@@H](C)c4ccccn4)c5ccc(cc5)C(=O)O)nc2	6JF	4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s)-1-(pyridin-2-yl)ethyl]-1h-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid
+CC(=O)Nc1ccc(cc1)Oc2ccccc2c3nc4ccncc4s3	6JG	n-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide
+c1ccc(cc1)Oc2c(cccn2)c3nc4ccncc4s3	6JH	2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O	6JI	5-[(1r,2s,4r,6r,7r,10s,11s,14s,16r)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
+c1ccc(cc1)Oc2ccccc2c3nn4cnnc4s3	6JJ	6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
+c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O	6JM	2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4h-1-benzopyran-4-one
+C(C(=O)CC(=O)O)C(=O)O	6JN	3-oxopentanedioic acid
+c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O	6JO	3,6-dihydroxy-2-(3-hydroxyphenyl)-4h-1-benzopyran-4-one
+COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O	6JP	(2s)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4h-1-benzopyran-4-one
+Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)CCCN4CCCC4)NC(=O)c5ccc6c(c5)OCCO6	6JQ	n-{5-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-2-methylphenyl}-2-[3-(pyrrolidin-1-yl)propyl]quinoline-6-carboxamide
+c1ccc(cc1)c2cn3c(n2)Nc4c(ncn4[C@H]5[C@@H]([C@H]6[C@H](O5)COP(=O)(O6)O)O)C3=O	6JR	3-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9h-imidazo[1,2-a]purin-9-one
+COc1ccc(cc1Nc2c3c(n[nH]c3ncn2)c4ccco4)c5ccco5	6JS	3-(furan-2-yl)-n-[5-(furan-2-yl)-2-methoxyphenyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc2c(c1)c(co2)Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO	6JT	(3r)-3-{3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-n-hydroxybutanamide
+c1ccc(cc1)Cc2cn(c3c2cc(cc3)Br)CC(=O)NO	6JU	2-(3-benzyl-5-bromo-1h-indol-1-yl)-n-hydroxyacetamide
+CN1CCN(CC1)CCCNC(=O)c2ccc(c(c2)OC)NC(=O)c3csc4c3N=CNC4=O	6JV	n-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
+CCC1(C(=O)NC(=O)NC1=O)CCBr	6JW	5-(2-bromoethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
+CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)NC(=O)OCC=C	6JX	allyl (2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-6-yl)carbamate
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1ccccc1	6JY	n~2~-(benzenecarbonyl)-l-arginine
+CCOCCOCCOCCOCCOCC	6JZ	3,6,9,12,15-pentaoxaheptadecane
+CC(C)n1cc(c2c1ncnc2N)C(=O)c3ccnc(c3)NC(=O)Nc4ccc(cc4F)F	6K0	n-{4-[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-n'-(2,4-difluorophenyl)urea
+CC(C)n1cc(c2c1ncnc2N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)Cl	6K1	n-{5-[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide
+CC(C)n1cc(c2c1ncnc2)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)C#N	6K2	2-(4-cyanophenyl)-n-{5-[7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide
+CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)F)O)O	6K3	heptyl 4-deoxy-4-fluoro-alpha-d-mannopyranoside
+CC(C)(CO)n1cc(c2c1nc(nc2)N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cn4)Cl	6K4	n-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide
+c1c(c(cnc1N)c2nc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F	6K5	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
+c1cc(oc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	6K6	n-(furan-2-ylmethyl)adenosine 5'-(dihydrogen phosphate)
+c1c(c(cnc1N)c2cc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F	6K7	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)CNC(=O)c1ccccc1	6K8	n-(benzenecarbonyl)glycyl-l-arginine
+C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O	6K9	(1s,3s,6s,9s,12s,14r,16r,18s,20r,21r,22s,26r,29s,31r,32s,33r,35r,36s)-20-[(2s)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name)
+Cc1ccn(n1)[C@@H](C)c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4Cl)F	6KA	n-{1-[(2-chloro-6-fluorophenyl)methyl]-1h-pyrazol-3-yl}-5-[(1s)-1-(3-methyl-1h-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)OCCCC(=O)O)O)O)O)OP(=O)(O)O)N	6KB	4-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxybutanoic acid
+CN1CCN(CC1)C(=O)c2ccc(c(c2)c3ccccc3)NC(=O)c4csc5c4N=CNC5=O	6KC	n-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
+CC(C)Oc1c(cccc1NC(=O)c2csc3c2N=CNC3=O)C(=O)N4CCN(CC4)C	6KD	n-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
+C[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl	6KE	(2s)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide
+C[C@H](CO)[C@@H]([C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)c3ccccc3)NC(=O)[C@H](Cc4ccccc4)N=[N+]=[N-])O	6KF	(2s)-2-azido-n-[(2s)-3-(biphenyl-4-yl)-1-{[(2s)-1-{[(2s,3s,4r)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name)
+C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)[C@H](Cc3ccccc3)N=[N+]=[N-])O	6KG	nalpha-[(2s)-2-{[(2s)-2-azido-3-phenylpropanoyl]amino}-4-cyclohexylbutanoyl]-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-phenylalaninamide
+CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)F)O	6KH	heptyl 3-fluoro-alpha-d-mannopyranoside
+[H]/N=C(\NOC(C)(C)C)/N=C/CC[C@@H](C(=O)O)N	6KJ	(5e)-5-[(n-tert-butoxycarbamimidoyl)imino]-l-norvaline
+CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)S(=O)(=O)c6ccc(cc6)OC	6KK	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate
+CC(=O)N[C@H]1C[C@@](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)(C(=O)O)OC	6KL	methyl 4,5-bisacetamido-3,4,5-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+CCC(=O)SC[C@@H](C(=O)O)N	6KM	s-propanoyl-l-cysteine
+Cc1cnccc1c2cc(cc3c2cn[nH]3)C(F)(F)F	6KN	4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1h-indazole
+COc1ccccc1C(=O)OC[C@H]2CCCN2c3ccnc4n3ncn4	6KO	[(2r)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate
+Cc1c(cc2c(n1)[nH]cn2)n3c4ccc(cc4c5c3c[nH]n5)F	6KP	7-fluoro-4-(5-methyl-3h-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole
+COc1ccc(cc1)S(=O)(=O)N(Cc2ccccc2)C[C@H]([C@H](CC34CC5CC(C3)CC(C5)C4)NC(=O)O[C@H]6CO[C@@H]7[C@H]6CCO7)O	6KQ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate
+CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCCO5)O)S(=O)(=O)c6ccc(cc6)OC	6KR	(3r,3as,7ar)-hexahydro-4h-furo[2,3-b]pyran-3-yl {(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate
+CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F	6KS	heptyl 2-fluoro-alpha-d-mannopyranoside
+c1cc2c(cc1C(=O)N)sc(n2)N	6KT	2-amino-1,3-benzothiazole-6-carboxamide
+CCCCCCCO[C@@H]1[C@H]([C@H](C[C@H](O1)CO)O)O	6KU	heptyl 4-deoxy-4-deoxy-alpha-d-mannopyranoside
+CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N	6KV	3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
+CCCCCCCO[C@@H]1[C@H](C[C@@H]([C@H](O1)CO)O)O	6KW	heptyl 3-deoxy-alpha-d-mannopyranoside
+CC1=C(C(CCC1)(C)C)C=O	6KX	beta-cyclocitral
+CN(C)[C@@H](CC[Se]C)C(=O)O	6KY	(2s)-2-(dimethylamino)-4-(methylselanyl)butanoic acid
+CC[C@@H]([C@H](c1nc(on1)c2ccccc2)O)NC(=O)[C@H](CC(C)C)NC(=O)N3CCOCC3	6KZ	n-[(2s)-4-methyl-1-oxidanylidene-1-[[(1r,2s)-1-oxidanyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide
+C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(C/C=C/CCNC(=O)CCC(=O)N(CC1)O)O)O	6L0	(8e)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone
+C[C@@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	6L1	5'-o-[(r)-{[(3s)-3-aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine
+COc1cc(c(cc1c2ccc(s2)C#CCO)C(=O)NS(=O)(=O)[C@@H]3CCC[C@H](C3)OC)OC	6L2	5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-n-{[(1r,3r)-3-methoxycyclohexyl]sulfonyl}benzamide
+Cc1cc(c(c(c1)C)C(=O)OC)C	6L3	methyl 2,4,6-trimethylbenzoate
+Cn1cc(cn1)Nc2ncc(c(n2)Oc3ccccc3NC(=O)C=C)Cl	6L4	~{n}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCCCCC(=O)N[C@H](CC(=O)O)C(=O)N)O)O)N	6L5	(3r)-4-amino-3-{[6-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name)
+CSC(=S)/C=C(/c1cccc(c1)O)\O	6L6	methyl (2z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[NH+](CC[C@@H](C(=O)O)[NH3+])CC[NH3+])O)O)N	6L7	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azaniumylethyl)-[(3~{s})-3-azaniumyl-4-oxidanyl-4-oxidanylidene-butyl]azanium
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C[C@@H](c3cncnc3)C(=O)N	6L8	(2r)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide
+C([C@@H](C(=O)N)N)C(C(=O)O)C(=O)O	6L9	[(2s)-2,3-diamino-3-oxopropyl]propanedioic acid
+CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O	6LA	methyl 2-(acetylamino)-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranoside
+CCN1CCOCC1	6LB	4-ethylmorpholine
+[H]/N=C(/N)\NC/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6LC	9-[(5e)-7-carbamimidamido-5,6,7-trideoxy-beta-d-ribo-hept-5-enofuranosyl]-9h-purin-6-amine
+C[C@H](C[C@@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)O)C(=O)O	6LD	sacubitrilat
+c1cc(ccc1[C@@H](CN)O)Cl	6LE	(1s)-2-amino-1-(4-chlorophenyl)ethan-1-ol
+C[C@H](c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)/C=C/c4cnn(c4)CCO	6LF	2-[4-[e-2-[5-[(1r)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1h-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
+C[C@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)[N+](=O)[O-])OP(=O)(N3CC3)N4CC4	6LG	(1r)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis[(aziridin-1-yl)]phosphinate
+c1cc(ccc1CN)S(=O)(=O)N	6LH	4-(aminomethyl)benzene-1-sulfonamide
+c1cc(ccc1OCC[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)Cl	6LI	7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate)
+c1ccc(c(c1)C#N)c2cc(c3ccccc3n2)NCCCN4CCCCC4	6LJ	2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile
+Cc1c2cc(ccc2n(n1)c3cc(c(nc3)OC)Cl)C(=O)NS(=O)(=O)C	6LK	1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-n-(methylsulfonyl)-1h-indazole-5-carboxamide
+O=[Mo]12(=O)(=O)O[Mo](=O)(=O)(O1)(O2)O[Mo](=O)(=O)(=O)(=O)=O	6LL	tetrakis-(mu-oxo)-deca-oxo-trimolybdenum
+C[C@@H](CC(=O)O)/C=C/[C@@]1([C@@]2(CC(=O)C[C@]1(OC2)C)C)O	6LM	(3s,4e)-5-[(1r,5r,8s)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid
+C(CS)S	6LN	ethane-1,2-dithiol
+CC(=O)NCC1CC(C1)n2cc(c3c2ncnc3N)c4cccc(c4)OCc5ccccc5	6LO	n-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide
+c1cc(cc(c1)Cl)Nc2nccc(n2)c3ccnc(c3)NCCN	6LP	n~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cc(c(nc3)N)C(=O)Nc4cnccc4CN5CCCC5	6LQ	2-amino-5-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-n-[4-(pyrrolidin-1-ylmethyl)pyridin-3-yl]pyridine-3-carboxamide
+C1COCCN1	6LR	morpholine
+CCCCCCCO[C@@H]1C[C@H]([C@@H]([C@H](O1)CO)O)O	6LS	heptyl 2-deoxy-alpha-d-mannopyranoside
+CC(C)n1c(cc(n1)C(F)F)C(=O)Nc2ccc(c(c2)c3ccccc3)[C@H]4[C@H](CCCc5n4cnc5)O	6LT	3-(difluoromethyl)-n-{6-[(5s,6s)-6-hydroxy-6,7,8,9-tetrahydro-5h-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-yl}-1-(propan-2-yl)-1h-pyrazole-5-carboxamide
+Cc1cc(cc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N)C	6LU	4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide
+COc1cc(cc(c1)OC)Cc2nc3ccccc3c4n2nc(n4)N	6LV	5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
+C([C@H]1[C@@H]([C@H](/C(=N/O)/O1)O)O)O	6LW	(z)-l-arabinonhydroximo-1,4-lactone
+Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C	6LX	n-(3-aminopropyl)-n-[(1r)-1-(3-benzyl-7-chloro-4-oxo-4h-chromen-2-yl)-2-methylpropyl]-4-methylbenzamide
+c1cc(ccc1[C@@H](CN)O)Br	6LY	(1s)-2-amino-1-(4-bromophenyl)ethan-1-ol
+c1cc(ccc1C(=O)CN)F	6LZ	2-amino-1-(4-fluorophenyl)ethan-1-one
+O[Mo]1O[Mo](O[Mo](O1)(O)(O)(O)O[Mo]2(OO2)(O)(O)O[Mo]3(OO3)(O)(O)O)(O)(O)(O)O[Mo](O)(O)(O)O	6M0	mo(6)-o(26) cluster
+Cc1cccc(c1C(=O)O)N	6M1	2-amino-6-methylbenzoic acid
+c1ccc(c(c1)c2cc(ccc2[C@H]3[C@H](CCCc4n3cnc4)O)C#N)Cl	6M3	2'-chloro-6-[(5s,6s)-6-hydroxy-6,7,8,9-tetrahydro-5h-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile
+[B-]1(c2ccccc2CO1)(O)O	6M4	1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium
+COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(=O)[C@H]5[C@@H]4CC=CC5)C6CCCCCC6	6M5	(4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
+c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)O)N	6M6	s-[(2-phenylethyl)carbamothioyl]-l-cysteine
+CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N	6M8	7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine
+B1(c2ccccc2CO1)O	6M9	2,1-benzoxaborol-1(3h)-ol
+CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6MA	n6-methyl-deoxy-adenosine-5'-monophosphate
+Cc1c(noc1NS(=O)(=O)c2ccc(cc2)NCc3cnc4c(n3)C(=O)NC(=N4)N)C	6MB	4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-n-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide
+CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6MC	cis-n6-methyl-deoxy-adenosine-5'-monophosphate
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	6MD	n-methyladenosine
+C[C@H]1CCc2c(c(nc(n2)N)N)C1	6ME	(6s)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
+C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C	6MG	n~2~-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-[(2s)-2,3,3-trimethylbutyl]-l-leucinamide
+CC1=CC=CC(=S)N1O	6MH	1-hydroxy-6-methylpyridine-2(1h)-thione
+CC1=NC2=C(NC(=NC2=O)N)N(C1=O)[C@H]3CC(C(O3)COP(=O)(O)O)O	6MI	6-methyl-8-(2-deoxy-ribofuranosyl)isoxanthopteridine
+CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O	6MJ	methyl beta-d-xylopyranoside
+c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O	6MK	(2e)-4-[n'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid
+O1[Fe](O[Fe]2S[Fe]3[S]2[Fe]1S3)[S]	6ML	oxygen-damaged sf4
+CC1(OC[C@]2(O1)[C@H]3[C@@H]([C@H](O2)CNc4[nH]c5cc6c(cc5n4)N=C(NC6=O)N)OC(O3)(C)C)C	6MM	6-amino-2-({[(3a'r,4s,6'r,6a'r)-2,2,2',2'-tetramethyldihydro-3a'h-spiro[1,3-dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl]methyl}amino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one (non-preferred name)
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)N)O)O)OP(=O)(O)O	6MN	2-amino-2-deoxy-6-o-phosphono-alpha-d-mannopyranose
+[Mo+6]	6MO	molybdenum(vi) ion
+Cc1c2c(nc[nH]2)ncn1	6MP	6-methylpurine
+CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N)C	6MQ	methyl 5-[(6-amino-8-oxo-7,8-dihydro-3h-imidazo[4,5-g]quinazolin-2-yl)amino]-5-deoxy-2,3-o-(1-methylethylidene)-beta-d-ribofuranoside
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)NS(=O)(=O)c3ccc(cc3)c4ccc(cc4)I	6MR	n-[(4'-iodobiphenyl-4-yl)sulfonyl]-d-tryptophan
+c1nc2c(n1CCCCCCP(=O)(O)O)N=C(NC2=O)N	6MS	[6-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)hexyl]phosphonic acid
+CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6MT	trans-n6-methyl-deoxy-adenosine-5'-monophosphate
+Cc1cc(nc(n1)O)O	6MU	6-methylpyrimidine-2,4-diol
+CC(C)(c1ccc2c(c1)[nH]c3c2c(ccc3C(=O)N)c4cccc(c4F)N5C=Nc6ccccc6C5=O)O	6MV	4-[2-fluoro-3-(4-oxoquinazolin-3(4h)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9h-carbazole-1-carboxamide
+c1cnccc1[C@H]2N[C@H](CS2)C(=O)O	6MW	(2s,4s)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid
+c1cc(nc(c1C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)SC5CCCCC5)N6CC[C@@H](C6)CC(=O)O	6MX	2-[(3~{r})-1-[6-cyclohexylsulfanyl-5-[[(1~{r},3~{s})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid
+c1ccc(cc1)c2cnc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	6MY	(1s)-1,5-anhydro-1-(5-phenyl-1h-imidazol-2-yl)-d-glucitol
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	6MZ	n6-methyladenosine-5'-monophosphate
+c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F	6N0	n-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide
+c1cc2c(cc1C(=O)NN)[nH]c(n2)NCCN3CCOCC3	6N1	2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazole-6-carbohydrazide
+[H]/N=C(/N)\Nc1ccc2c(c1)nc([nH]2)NCCN3CCOCC3	6N2	n-(2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazol-5-yl)guanidine
+CC(C)CCOc1c(ccc(n1)N2C[C@@H]3[C@H](C2)C3C(=O)O)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O	6N3	(1~{r},5~{s})-3-[6-(3-methylbutoxy)-5-[[(1~{r},3~{s})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
+c1ccc2c(c1)[nH]c(n2)SCCO	6N4	2-(1h-benzimidazol-2-ylsulfanyl)ethanol
+CC1=C2C=CCC=C2C=C1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N[C@@H](Cc4ccccc4)[C@H]([C@H](C)CO)O	6N5	~{n}-[(2~{s})-1-[[(2~{s})-3-(4-methoxyphenyl)-1-[[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{h}-indene-2-carboxamide
+c1cc(sc1)c2nnc(s2)N	6N6	5-(2-thienyl)-1,3,4-thiadiazol-2-amine
+c1ccc(cc1)C(CCNC(=O)n2cccc2)c3ccccc3	6N8	n-(3,3-diphenylpropyl)pyrrolidine-1-carboxamide
+CCCS(Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OC)F)(O)O	6N9	(3-{[dihydroxy(propyl)-lambda~4~-sulfanyl]amino}-2,6-difluorophenyl)[5-(4-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]methanone
+CCCCCC(=O)O	6NA	hexanoic acid
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OCCOCCOCCOc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(=O)(=O)CCC)F)F	6NB	n,n'-{ethane-1,2-diylbis[oxyethane-2,1-diyloxy-4,1-phenylene-1h-pyrrolo[2,3-b]pyridine-5,3-diylcarbonyl(2,4-difluoro-3,1-phenylene)]}di(propane-1-sulfonamide)
+CCCS(Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)CNC(=O)COCC(=O)NCc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(CCC)(O)O)F)F)(O)O	6NC	2,2'-oxybis[n-({4-[3-(3-{[dihydroxy(propyl)-lambda~4~-sulfanyl]amino}-2,6-difluorobenzene-1-carbonyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]phenyl}methyl)acetamide]
+Cc1c(ncc(n1)C(=O)NCc2cnc(s2)C)CNS(=O)(=O)c3ccc(c(c3)F)F	6ND	5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
+c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	6NE	(1s)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]-d-glucitol
+c1cnccc1c2cc(n[nH]2)NCC3CCCCC3	6NF	n-(cyclohexylmethyl)-3-(4-pyridyl)-1h-pyrazol-5-amine
+C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C	6NG	n~2~-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-[(2r)-2,3,3-trimethylbutyl]-l-leucinamide
+[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3c(c([nH]n3)c4ccccc4)O)/N	6NH	2-(4-hydroxy-5-phenyl-1h-pyrazol-3-yl)-1h-benzoimidazole-5-carboxamidine
+c1cc2cn[nH]c2cc1[N+](=O)[O-]	6NI	6-nitroindazole
+c1ccc(cc1)CCc2c3ccccc3[nH]n2	6NJ	3-(2-phenylethyl)-1h-indazole
+c1cc2c(cc1C(=O)N)[nH]c(n2)NCCN3CCOCC3	6NK	2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazole-6-carboxamide
+C/C(=C\c1ccc(c(c1)O)OC)/C(=O)c2cc3c(c(c2)OC)OCO3	6NL	(2e)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2h-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one
+c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3	6NM	4-[5-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-yl]pyridine
+CC[C@@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	6NN	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(((r)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid
+Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)O[C@@H]2[C@H](O[C@H](C[C@H]2O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H](C[C@]5(O4)C)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)C)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@@]([C@H](O1)C)(C(=O)C)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C	6NO	avilamycin
+c1ccc(cc1)C[C@H]2C[N@@](CCN2)c3cc(c(nn3)c4ccc5ccccc5c4)c6ccncc6	6NP	6((s)-3-benzylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyrazine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)Br)N	6NQ	2'-bromo-2'-deoxyadenosine 5'-[beta,gamma-imide]triphosphoric acid
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)C#N	6NR	(2~{s})-2-azanyl-4-[[(2~{s},3~{s},4~{r},5~{r})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
+CC(C)(C)[C@@H](CC(=O)O)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)F)F	6NS	(3~{r})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid
+c1cc2c(cc1[N+](=O)[O-])[nH]nn2	6NT	6-nitrobenzotriazole
+CC1(CCC1)[C@@H](CC(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cn4)F)F	6NU	(3~{r})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid
+CC1=C2C=CCC=C2C=C1C(=O)N[C@H](C)C(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N[C@@H](Cc4ccccc4)[C@H]([C@H](C)CO)O	6NV	~{n}-[(2~{r})-1-[[(2~{s})-3-(4-methoxyphenyl)-1-[[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{h}-indene-2-carboxamide
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)S)O	6NW	2'-o-methyl-5'-o-thiophosphonoadenosine
+CNC(=O)NC1CCCCC1	6NX	1-cyclohexyl-3-methyl-urea
+C[C@@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)NO)O	6NY	3-{2-(hydroxyamino)-5-[(1s)-1-hydroxyethyl]phenoxy}-n,n-dimethylbenzamide
+CCCC1=CC(=CNC1=O)C2CCCCC2	6NZ	5-cyclohexyl-3-propyl-1h-pyridin-2-one
+CCCCN1C=CN(C1=[Au]Cl)C	6O0	(1-butyl-3-methyl-1,3-dihydro-2h-imidazol-2-ylidene)(chloro)gold
+Cc1cc(cc(c1C(=O)O[C@@H]2CO[C@]3([C@H]4[C@H]2OCO4)O[C@H]5CO[C@H]([C@@H]([C@@H]5O3)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)COC)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)OC)O[C@H]8[C@H]([C@@]9([C@@H]([C@H](O8)C)O[C@@]1(O9)C[C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)O[C@@H]1C[C@@](C(C(O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)OC)O)O	6O1	evernimicin
+C#Cc1cccc(c1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)N)O)O	6O2	[(2~{r},3~{s},4~{r},5~{r})-5-[6-[(3-ethynylphenyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate
+Cc1ccc(cc1)c2c(c3cncnc3s2)CP(=O)(O)O	6O3	{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl}phosphonic acid
+c1cc(oc1)CCC(=O)O	6O5	3-(furan-2-yl)propanoic acid
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)OC)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O)O	6O6	plicamycin, mithramycin analogue mtm sa-trp
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)N[C@@H](Cc4ccccc4)C(=O)OC)OC)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O	6O7	plicamycin, mithramycin analogue mtm sa-phe
+CCCCCC(=O)O[C@@H](COC(=O)CCCC)COP(=O)(O)OCC[N+](C)(C)C	6O8	(4r,7s)-4-hydroxy-n,n,n-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium
+CCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)C	6O9	(2s)-2-(acetyloxy)-3-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
+C(/C=C/C=C(/C(=O)O)\O)O	6OA	(2z,4e)-2,6-dihydroxyhexa-2,4-dienoic acid
+CCCCC\C=C/C[C@@H](\C=C\CC(=O)CCCCC(=O)O)O	6OB	(8e,10s,12z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid
+CCCCC\C=C/C\C=C/[C@@H](CC(=O)CCCCC(=O)O)O	6OC	(8r,9z,12z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid
+C(=C/C=O)\C=C(/C(=O)O)\N	6OD	(2e,4e)-2-amino-6-oxohexa-2,4-dienoic acid
+CCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCC	6OE	(2s)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
+COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6OG	6-o-methyl guanosine-5'-monophosphate
+C(=C/C=O)\C=C(/C(=O)O)\O	6OH	(2e,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid
+Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NCC3	6OJ	7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2h-pyrido[3,4-b]indol-1-one
+c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)CCO	6OK	6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[As](O)O	6OL	methylarsonous acid
+C/C(=C/CO)/CO	6OM	(2z)-2-methylbut-2-ene-1,4-diol
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C	6ON	2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{n}-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O	6OO	2'-o-methyl-5'-o-thiophosphonocytidine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)/C=C/P(=O)(O)O)O)OCCOC	6OP	1-[(5e)-5,6-dideoxy-2-o-(2-methoxyethyl)-6-phosphono-beta-d-ribo-hex-5-enofuranosyl]-5-methylpyrimidine-2,4(1h,3h)-dione
+B1(C=CC=CN1)CC	6OQ	2-ethyl-1,2-dihydro-1,2-azaborinine
+c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O	6OR	3,5-dichloro-4-hydroxybenzene-1-sulfonic acid
+c1nc(c2c(n1)n(cn2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N	6OS	neplanocin-a
+c1c(cc(cc1Cl)Cl)S(=O)(=O)N	6OT	3,5-dichlorobenzene-1-sulfonamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC	6OU	[(2~{r})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{z})-octadec-9-enoate
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)/N	6OV	3-cyclohexyl-d-alanyl-n-[(4-carbamimidoylphenyl)methyl]-l-prolinamide
+Cc1ccn2c(c1)nc(c2c3ccn[nH]3)C	6OW	2,7-dimethyl-3-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridine
+CC(C)(c1cn(c(n1)C(C)(C)c2c(cccc2Cl)Cl)c3ccc(cc3F)c4cc(c(c(c4)S(=O)(=O)C)CO)F)O	6OX	2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl] phenyl]imidazol-4-yl]propan-2-ol
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C)c4ccccc4	6OY	ethyl (4r)-4-[[(2s,4s)-1-[(2s)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
+Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)(C)c3ccccc3	6OZ	2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1h-pyrazol-5-yl]-1,3-thiazole
+Cc1c(cn(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC	6P0	5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'h,2h-3,4'-bipyrazole
+Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccc(cc3)OC	6P1	5-{3-[(1r)-1-(4-methoxyphenyl)ethyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
+Cc1c(sc(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC	6P2	5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
+c1ccc(cc1)c2ccc(cn2)C(=O)O	6P3	6-phenylpyridine-3-carboxylic acid
+Cc1ccc2nc(c(n2c1)c3ccn[nH]3)C	6P4	2,6-dimethyl-3-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridine
+Cc1ccc(cc1)c2nc(c(s2)c3ccn[nH]3)C	6P5	4-methyl-2-(4-methylphenyl)-5-(1h-pyrazol-5-yl)-1,3-thiazole
+CC(=O)c1ccc2c(c1)ncnc2Nc3ccccc3	6P6	1-(4-phenylazanylquinazolin-7-yl)ethanone
+CC(=O)Nc1ccc2c(c1)ncnc2Nc3ccccc3	6P8	~{n}-(4-phenylazanylquinazolin-7-yl)ethanamide
+c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6	6P9	[2-(phenylamino)-1,4-phenylene]bis({4-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}methanone)
+c1cc(cc(c1)Br)c2c3c(nc[nH]3)nc(n2)N	6PB	6-(3-bromophenyl)-7h-purin-2-amine
+c1ccnc(c1)C(=O)O	6PC	pyridine-2-carboxylic acid
+c1cc(ccc1Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6)OCN7CCCC7	6PD	[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]carbonyl-3-[[4-(pyrrolidin-1-ylmethoxy)phenyl]amino]phenyl]methanone
+CCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCC	6PE	1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine
+COc1c(cc(cn1)c2cc3cocc3c(c2)NC(=O)CN4CCOCC4)NS(=O)(=O)C	6PF	n-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide
+C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O	6PG	6-phosphogluconic acid
+CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O	6PH	(1r)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate
+CCCOCCOCCOCCCNC(=O)CCCCN\1c2ccc3c(c2C(/C1=C/C=C\C/C=C/4\C(c5c(ccc6c5cc(cc6S(=O)(=O)O)S(=O)(=O)O)N4CC)(C)C)(C)C)cc(cc3S(=O)(=O)O)S(=O)(=O)O	6PJ	cy5.5-peg2
+[H]/N=C(\c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N	6PK	o-benzyl-n-(benzylsulfonyl)-d-seryl-n-[(4-carbamimidoylphenyl)methyl]glycinamide
+CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C	6PL	(4s,7r)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide
+Cc1c(cn(n1)C)c2cc(n[nH]2)[C@@H](C)c3ccc(cc3)OC	6PM	5-[(1s)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'h,2h-3,4'-bipyrazole
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2	6PN	5-hexyl-2-phenoxyphenol
+CCCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6PO	9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-propoxy-9h-purin-2-amine
+CC/C(=C\Cc1cccc(c1O)O)/C	6PP	3-[(2z)-3-methylpent-2-en-1-yl]benzene-1,2-diol
+Cc1c(sc(n1)C)c2cc(n[nH]2)Cc3ccc(cc3)OC	6PQ	5-{3-[(4-methoxyphenyl)methyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
+C([C@@H](C(=O)N)NC(=O)CP(=O)(O)O)C(=O)O	6PR	(s)-4-amino-4-oxo-3-(2-phosphonoacetamido)butanoic acid
+Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccccc3	6PS	2,4-dimethyl-5-{3-[(1r)-1-phenylethyl]-1h-pyrazol-5-yl}-1,3-thiazole
+CCN1C(=O)C(=C(C(=N1)c2ccccc2)C(=O)C)Nc3ccc(cc3)C(=O)O	6PT	4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid
+CN(C)[C@H]1CN(C[C@@H]1c2ccc(cc2)N3CCN(CC3)S(=O)(=O)C)[C@H]4CCc5c4c(ccc5)F	6PU	(3r,4s)-1-[(1s)-7-fluoro-2,3-dihydro-1h-inden-1-yl]-n,n-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine
+COc1cccc(c1)Nc2ncc(c(n2)OCC3CCNCC3)c4ccc(cc4)C(=O)NCC(=O)Nc5ccccc5	6PV	4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-n-[2-oxo-2-(phenylamino)ethyl]benzamide
+Cc1cccc2c1nc(cc2)N3CC[C@@H](C(C3)(C)C)C(=O)N[C@H]4CCO[C@@H](C4)CO	6PW	1,5-anhydro-2,3,4-trideoxy-3-{[(4s)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-d-erythro-hexitol
+[H]/N=C(/N)\NCCC[C@@H](C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)OC)N	6PX	methyl n-[4-amino-3-(l-arginylamino)benzene-1-carbonyl]-l-tyrosinate
+[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC(=O)NCCOC)C(=O)O	6PY	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-[(2-methoxyethyl)carbamoyl]-d-glycero-d-galacto-non-2-enon  ic acid
+C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)NC(=O)C)NC(=O)C)O	6PZ	5,7-bisacetamido-3,5,7,9-tetradeoxy-l-glycero-alpha-l-manno-non-2-ulopyranosonic acid
+Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3ccccc3	6Q0	~{n}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide
+CN1CCN(CC1)Cc2ccc(cc2)c3cn4c5c3cnc(n5)NCCCCC(=O)NCCC4	6Q1	15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3h)-one
+COc1cccc(c1)Nc2cc(nc3c2C(=O)NCC3)c4ccccc4	6Q2	4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6h)-one
+Cc1cc(nc(n1)N)OCCCO	6Q3	3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropan-1-ol
+CC(C)NC(=O)[C@H]1CCC[C@H]1Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)N(C)C4CCN(CC4)C)C(F)(F)F	6Q4	n-methyl-n-(1-methylpiperidin-4-yl)-4-{[4-({(1r,2s)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	6Q5	ursolic acid 
+C[C@@H]1C[C@@H](CN(C1)C(=O)C[C@@H](c2ccc3c(c2)OCO3)c4c(cc(cc4OC)OC)O)C	6Q6	(3s)-3-(2h-1,3-benzodioxol-5-yl)-1-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
+CC(C)(C)c1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)c4ccc(cc4)C(=O)O	6Q7	4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1h-pyrazol-3-yl}benzoic acid
+Cc1c(c([nH]c1C(=O)Nc2ccc(cc2)F)C)S(=O)(=O)Nc3ccc4c[nH]nc4c3	6Q8	~{n}-(4-fluorophenyl)-4-(2~{h}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{h}-pyrrole-2-carboxamide
+Cc1c(c(n[nH]1)C)S(=O)(=O)Nc2ccc3c[nH]nc3c2	6Q9	~{n}-(2~{h}-indazol-6-yl)-3,5-dimethyl-1~{h}-pyrazole-4-sulfonamide
+C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)(O)O)O)O)O	6QA	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 5-[(2~{r},3~{r},5~{r},6~{s})-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxypentanethioate
+Cn1c(ccn1)Nc2nccc(n2)C3=CC(=O)N(C=C3)[C@H](CO)c4ccc(c(c4)F)Cl	6QB	1-[(1~{s})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
+C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C	6QC	~{n}-[(2~{s})-1-[[(2~{r})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+c1nc2c(n1CCCCCP(=O)(O)O)NC=NC2=O	6QD	5-(6-oxidanylidene-3~{h}-purin-9-yl)pentylphosphonic acid
+Cc1c(c(on1)COc2cccc(c2F)F)c3ccc(cc3)CNS(=O)(=O)C4(CC4)C	6QE	~{n}-[[4-[5-[[2,3-bis(fluoranyl)phenoxy]methyl]-3-methyl-1,2-oxazol-4-yl]phenyl]methyl]-1-methyl-cyclopropane-1-sulfonamide
+c1ccc2c(c1)nc3cccc(c3n2)O	6QF	phenazin-1-ol
+Cc1c-2c(on1)COc3cccc(c3)CCCS(=O)(=O)NCc4ccc2cc4	6QG	3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene-17,17-dione
+COc1ccc(cc1Cl)c2c(nco2)C(=O)NCCCn3cncn3	6QH	5-(3-chloranyl-4-methoxy-phenyl)-~{n}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide
+Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(c(c3)O)F	6QJ	(4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone
+COc1cc(nc(n1)Sc2cccc(c2C(=O)O)Cl)OC	6QK	2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid
+COc1cc(nc(n1)Oc2cccc(c2C(=O)O)Oc3nc(cc(n3)OC)OC)OC	6QL	2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
+CCc1cc(c(cc1O)O)c2c(snn2)c3ccc(cc3)OCC	6QM	4-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-6-ethylbenzene-1,3-diol
+CCNC(=O)C1=C(c2ccncc2NC1=O)O	6QN	~{n}-ethyl-4-oxidanyl-2-oxidanylidene-1~{h}-1,7-naphthyridine-3-carboxamide
+c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3)O)F	6QO	(4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone
+c1cc(c(c(c1)Cl)C(=O)Nc2ccc3c(c2)N(C[C@@H](O3)CO)S(=O)(=O)c4ccc(cc4)F)F	6QP	2-chloranyl-6-fluoranyl-~{n}-[(2~{r})-4-(4-fluorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide
+[B-]1(c2ccc(cc2CO1)Oc3c(cc(c(n3)OCCCC(=O)C)C#N)Cl)(O)O	6QQ	6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile
+C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@H](C)O)C(=O)O)Sc2c[nH]c3c2cccc3	6QR	(2~{s},3~{r},4~{r})-4-(1~{h}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{s},3~{s})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CCn1c2ccccc2c3c1ccc(c3)[C@@H]4C5=C(CCCC5=O)NC(=C4C(=O)OC[C@H]6CCCO6)C	6QS	[(2~{r})-oxolan-2-yl]methyl 4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{h}-quinoline-3-carboxylate
+c1cc(cc(c1)O)[C@H]2CC(=O)c3cc(ccc3O2)O	6QT	(2~{r})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one
+c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3O)O)F	6QU	[4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone
+c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)[N+](=O)[O-]	6QV	(4-nitrophenoxy)-phenyl-phosphinic acid
+Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)CN(CC(C)C)S(=O)(=O)Cc3ccccc3	6QW	~{n}-[[3-methyl-4-(4-methylsulfonylphenyl)phenyl]methyl]-~{n}-(2-methylpropyl)-1-phenyl-methanesulfonamide
+CN(C)C1CCC(CC1)Nc2c3c4c(sc3ncn2)CCC4	6QX	~{n}1-(7,8-dihydro-6~{h}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{n}4,~{n}4-dimethyl-cyclohexane-1,4-diamine
+CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4	6QY	~{n}4,~{n}4-dimethyl-~{n}1-[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
+CN1[C@H]2CCN(C[C@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6	6QZ	(3~{a}~{r},7~{a}~{s})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one
+CN1[C@@H]2CCN(C[C@@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6	6R0	(3~{a}~{s},7~{a}~{r})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one
+c1c(c2c([nH]1)ncnc2NC3CCC(CC3)N4CCOCC4)C5CCOCC5	6R1	~{n}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(=CCC/C(=C/CC/C(=C/COP(=O)(C(P(=O)(O)O)(Cl)Cl)O)/C)/C)C	6R2	[bis(chloranyl)-[oxidanyl-[(2~{e},6~{e})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid
+C=CC(=O)C(=C)N	6R3	2-azanylpenta-1,4-dien-3-one
+CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC	6R4	methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate
+Cc1c(c(cs1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C	6R5	methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate
+c1cc(c(cc1[N+](=O)[O-])C(=O)O)N	6R6	5-nitroanthranilic acid
+c1cc(c(cc1[N+](=O)[O-])C(=O)O)O	6R7	5-nitrosalicylic acid
+C1C=C(C=C([C@]1(N)O)C(=O)O)[N+](=O)[O-]	6R8	(6~{r})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid
+CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6R9	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate
+COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)NCc5ccccc5)C3	6RB	1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{n}-(phenylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide
+COCCn1cc(cn1)c2cnc(c3n2cc(n3)COc4ccc5ccccc5n4)N6CCOCC6	6RC	4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
+Cn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5c[nH]c6c5cccc6	6RD	5-(1~{h}-indol-3-ylmethyl)-1-methyl-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCNC(=[NH2+])N)O)O)N	6RE	[[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]-azanyl-methylidene]azanium
+C[C@@H](c1c(c(c2cc(ccc2n1)F)C(=O)N3CCNCC3)c4ccccc4)Nc5c(c(ncn5)N)C#N	6RF	4-azanyl-6-[[(1~{s})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
+c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccccc4)N	6RG	2-phenyl-n~4~-(2-phenylethyl)quinazoline-4,7-diamine
+c1nc2c(n1CCCCP(=O)(O)O)N=CNC2=O	6RH	4-(6-oxidanylidene-1~{h}-purin-9-yl)butylphosphonic acid
+c1cc(ccc1c2cnc(cc2CO)C(F)(F)F)C3(COC3)C(=O)Nc4ccc(cc4)F	6RI	n-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide
+c1cc(c(cc1S(=O)(=O)Nc2nccs2)C#N)Oc3ccc(cc3c4c[nH]nc4)Cl	6RJ	4-[4-chloranyl-2-(1~{h}-pyrazol-4-yl)phenoxy]-3-cyano-~{n}-(1,3-thiazol-2-yl)benzenesulfonamide
+C1CC(CCC1C(=O)O)N	6RK	4-azanylcyclohexane-1-carboxylic acid
+CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N	6RL	2-[[6-[(3~{r})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile
+CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@@H]4C[C@H]4CO	6RM	7-[(4-fluoranylphenoxy)methyl]-3-[(1~{r},2~{r})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
+COc1ccc(cc1)NCc2ccccn2	6RN	4-methoxy-n-[(pyridin-2-yl)methyl]aniline
+CS(=O)(=O)Nc1ccc(cc1)Cl	6RO	~{n}-(4-chlorophenyl)methanesulfonamide
+c1cnn(c1)C(C(=O)O)n2cccn2	6RP	bis(pyrzol-1-yl)acetate scorpionate
+Cc1cc2c(cc1C)nc([nH]2)N	6RQ	5,6-dimethyl-1~{h}-benzimidazol-2-amine
+Cc1c(cccn1)N[C@@H]2CCCS(=O)(=O)C2	6RR	~{n}-[(3~{r})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
+Cc1c(cccn1)N[C@@H](C)c2ccc3c(c2)OCCCO3	6RS	~{n}-[(1~{s})-1-(3,4-dihydro-2~{h}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine
+c1ccc(cc1)n2cccc2c3nc(nc(n3)N4CC4)N5CC5	6RT	2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine
+CN(C)c1nc(nc(n1)N(C)C)c2cccn2c3ccccc3	6RU	~{n}2,~{n}2,~{n}4,~{n}4-tetramethyl-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine-2,4-diamine
+c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)[C@@H]4C[C@H]4C#N)C(F)(F)F	6RV	(1~{r},2~{r})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile
+Cc1c(cccn1)NC2CCC[C@@H]2S(=O)(=O)C	6RW	2-methyl-~{n}-[(2~{s})-2-methylsulfonylcyclopentyl]pyridin-3-amine
+CCN1C2=C([C@@H](C3=C(N2)COC3=O)c4ccc(cc4)C)C(=O)NC1=O	6RX	(5~{s})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{h}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione
+Cc1c(cccn1)N[C@@H](C)c2ccc3c(c2)OCCO3	6RY	~{n}-[(1~{s})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine
+Cc1c(cccn1)N[C@H](C)CS(=O)(=O)C	6RZ	2-methyl-~{n}-[(2~{r})-1-methylsulfonylpropan-2-yl]pyridin-3-amine
+Cc1c(cccn1)N[C@@H](C)c2cc3c(ccs3)nc2	6S0	2-methyl-~{n}-[(1~{s})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine
+c1ccc(cc1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)C6(CCC6)N	6S1	3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COS(=O)(=O)O)O)O	6S2	methyl 2-acetamido-2-deoxy-6-o-sulfo-beta-d-glucopyranoside
+Cn1c(cc2c1nc(cc2Cl)C(=O)N)c3ccc(cc3)N4CCN(CC4)C	6S3	4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide
+CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1	6S4	(3~{s})-~{n}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
+c1ccc2c(c1)C[C@H](NC2)C(=O)N3CCC(CC3)C(=O)NCc4ccco4	6S5	(s)-n-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
+C(CCCCN=[N+]=[N-])CCCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O	6S6	(1~{s},2~{r},3~{s},4~{s},5~{s},6~{r})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid
+CN(C)CCOc1cc(cnc1)N2C[C@@H]3C[C@H](C2)CNC3	6S7	2-((5-(3,7-diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-n,n-dimethylethanamine
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O	6S8	(~{z})-~{n}-[(~{e},2~{s},3~{r})-1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide
+Cc1cc(ccn1)c2c3cnc(cc3[nH]n2)NC(=O)NCc4ccccc4	6S9	1-[3-(2-methylpyridin-4-yl)-1~{h}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO	6SA	acarbose derived hexasaccharide
+C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	6SB	taurodeoxycholate
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4ccncc4	6SC	3-bromo-5-phenyl-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+COc1ccc(cc1)c2cc([nH]n2)N	6SD	3-(4-methoxyphenyl)-1~{h}-pyrazol-5-amine
+[SeH][Se][SeH]	6SE	triselane
+c1cc(c(cc1OCCN)Cl)Cl	6SF	2-[3,4-bis(chloranyl)phenoxy]ethanamine
+C(C[C@@H](N/C(=C\SCC(=O)NCC12C3=C4[Fe]3156789(C4=C52)C1C6=C7C8=C91)/C(=O)NCC(=O)O)O)[C@@H](C(=O)O)N	6SG	s-[n-(ferrocenylmethyl)carbamoylmethyl]-glutathione
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N)N	6SH	5-azanyl-~{n}-[[4-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+c1cc(cc(c1)Cl)[C@H]2[C@H]3[C@H](CCN3CC(=O)O)N([C@]24c5ccc(cc5NC4=O)Cl)CC6CC6	6SJ	2-[(3~{s},3'~{a}~{s},6'~{s},6'~{a}~{s})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{h}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{h}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid
+CC(C)(C)CN1C[C@H]([C@@H]([C@@]12c3ccc(cc3NC2=O)Cl)c4cccc(c4)Cl)N	6SK	(3~{s},3'~{s},4'~{s})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{h}-indole-3,2'-pyrrolidine]-2-one
+c1ccc2c(c1)[nH]c(n2)c3cccnc3	6SL	2-pyridin-3-yl-1~{h}-benzimidazole
+c1c(c(ncn1)C(=O)O)Cl	6SM	5-chloranylpyrimidine-4-carboxylic acid
+c1cc(c(cc1c2cc(n[nH]2)N)Cl)Cl	6SN	5-(3,4-dichlorophenyl)-1~{h}-pyrazol-3-amine
+c1cc2c(cc1Cl)c(c[nH]2)CCN	6SO	2-(5-chloranyl-1~{h}-indol-3-yl)ethanamine
+C1CNC[C@H]1O	6SP	(3s)-pyrrolidin-3-ol
+CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(c3)Cl	6SQ	1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone
+c1cc2c(cc1C(=O)N3CCN(CC3)c4ccc5c(c4)CCC5=O)OCO2	6SR	5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one
+CCOc1cccc(c1)CN2[C@H]([C@H]([C@@H]([C@@]23c4ccc(cc4NC3=O)Cl)c5cccc(c5F)Cl)N)C	6SS	(3~{s},3'~{s},4'~{s},5'~{s})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{h}-indole-3,2'-pyrrolidine]-2-one
+c1cc(c(c(c1)Cl)F)[C@H]2[C@H]3[C@H](C[C@@H](N3)c4ccc(cc4)C(=O)O)N([C@]25c6ccc(cc6NC5=O)Cl)CC7CC7	6ST	4-[(2~{r},3~{a}~{s},5~{s},6~{s},6~{a}~{s})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{h}-indole]-2-yl]benzoic acid
+COC(=O)c1cccc(c1)NS(=O)(=O)C	6SU	methyl 3-(methylsulfonylamino)benzoate
+C1CCC(CC1)NC(=O)NC[C@H]2CCCO2	6SV	1-cyclohexyl-3-[[(2~{r})-oxolan-2-yl]methyl]urea
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N=CNC2=O	6SW	inosine-3',5'-cyclic monophosphate
+c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O	6SX	purine riboside-3',5'-cyclic monophosphate
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O1)O	6SY	uridine-3',5'-cyclic monophosphate
+c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O	6SZ	2-aminopurine riboside-3',5'-cyclic monophosphate
+CC(C)Cn1cnc2c1c3ccccc3nc2N	6T0	1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
+c1ccc(c(c1)c2cc(ccn2)C(=O)NCCCN3CCCC3)OC4CN(C4)CCc5ccc(c(c5)Cl)Cl	6T1	2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
+CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N	6T2	1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1h-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine
+c1cc2cc(c1)-c3ccnc(n3)Nc4ccc(c(c4)COC/C=C/COC2)OCCN5CCCC5	6T3	11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene
+Cc1csc(n1)NC(=O)C	6T4	~{n}-(4-methyl-1,3-thiazol-2-yl)ethanamide
+CC1=NNC(=O)N=C1Nc2ccc(cc2)C(C)C	6T5	6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{h}-1,2,4-triazin-3-one
+C[C@]1(NC(=C(N1)N)c2ccccc2)c3cccc(c3)c4cccnc4	6T6	(2r)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1h-imidazol-4-amine
+c1cc(cnc1)C2=NN(C(=O)C=C2)CCC(=O)O	6T7	3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid
+[H]/N=C(/N)\NCCC[C@@H](B1OCC(CO1)O)NC(=O)[C@H](Cc2ccc(cc2)CN)NC(=O)c3ccccc3	6T8	n-((s)-3-(4-(aminomethyl)phenyl)-1-(((r)-4-guanidino-1-(5-hydroxy-1,3,2-dioxaborinan-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide
+CCOc1ccc(nc1)C(=O)Nc2ccc(c(c2)[C@@]3(C(COC(=N3)N)(F)F)C)F	6T9	5-ethoxy-pyridine-2-carboxylic acid [3-((r)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4h-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
+CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N3Cc4ccncc4C3	6TA	~{tert}-butyl (2~{s})-2-[(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylcarbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)N(C)c4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C	6TB	4-[[(7~{r})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{h}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{n}-(1-methylpiperidin-4-yl)benzamide
+CC(C)Oc1ccc(cc1)CN(CCC(=O)N)C(=O)c2cnn(c2c3ccc4c(c3)ccs4)Cc5ccccc5	6TC	~{n}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{n}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
+COc1ccc(cc1)Cc2nnc3n2nc(s3)c4cc5ccccc5[nH]4	6TD	2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1h-indole
+CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C	6TE	~{n}-[3-[methyl(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
+C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O	6TF	n-[(4-fluorophenyl)methyl]-2-{(1r)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'h-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-n-[(2s)-1,1,1-trifluoropropan-2-yl]acetamide
+Cc1cc(cc(c1OC)C)[C@]2(N=C(C(=N2)N)C)c3cccc(c3)c4cncnc4	6TG	(2s)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2h-imidazol-4-amine
+c1cc(c(cc1Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)CO	6TH	(2~{s})-1-[(2~{r})-2-azanyl-3-cyclohexyl-propanoyl]-~{n}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
+c1ccc(cc1)N2Cc3cccc(c3C2=O)C(=O)O	6TJ	3-oxidanylidene-2-phenyl-1~{h}-isoindole-4-carboxylic acid
+c1ccc2c(c1)c(c[nH]2)CCN3CCN(CC3)c4ccccc4c5cc(cnc5)C(=O)NCCCN6CCCC6	6TL	5-[2-[4-[2-(1~{h}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
+c1ccc(c(c1)c2cc(c3c[nH]nc3n2)C(=O)NCCCN4CCCC4)N5CCN(CC5)CCc6ccc(c(c6)Cl)Cl	6TM	6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxamide
+CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C	6TN	[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{h}-pyrido[4,3-d]pyrimidin-6-yl)methanone
+c1cc(ccc1/C=C/C(=O)O[C@@H]2C=C(C[C@H]([C@@H]2O)O)C(=O)O)O	6TO	(3~{r},4~{s},5~{r})-3-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid
+CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	6TP	4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-n-methylthieno[3,2-c]pyridine-7-carboxamide
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccnc(c3)C#CCCNC(=O)O[C@@H]4CCC/C=C\CC4)Cl	6TS	[(1~{r},4~{z})-cyclooct-4-en-1-yl] ~{n}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3cc(cnc3)OC)C(F)(F)F	6TT	~{n}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide
+COc1cccc(c1)N2[C@H](c3cccc(c3C2=O)C(=O)O)CC=C	6TU	(1~{s})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{h}-isoindole-4-carboxylic acid
+CCCNCCNS(=O)(=O)c1cccc2c1ccnc2	6TV	~{n}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide
+CC(=O)Nc1cc2ccccc2cc1NC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(O)O)O)C(=O)N3	6TW	[(2~{r},3~{s},5~{r})-5-[2-[(3-acetamidonaphthalen-2-yl)amino]-6-oxidanylidene-1~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
+CCCN(CC[NH3+])S(=O)(=O)c1cccc2c1ccnc2	6TX	2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium
+C[C@@H]1CNCCN1S(=O)(=O)c2cccc3c2ccnc3	6TY	5-[(2~{r})-2-methylpiperazin-1-yl]sulfonylisoquinoline
+c1cc(cc(c1)F)c2cc[nH]n2	6TZ	3-(3-fluorophenyl)-1h-pyrazole
+c1ccc(cc1)c2[nH]c(cn2)Cn3cc(nn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	6U0	[(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[1-[(2-phenyl-1~{h}-imidazol-5-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate
+CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2nc(cs2)c3c[nH]c4c3cccn4	6U1	2-[3-(methylsulfonylamino)phenyl]-~{n}-[4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide
+CN1CCN(CC1)CCCOc2cccc(c2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5	6U2	2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{n}-[4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide
+Cc1c2c(sc1c3ncco3)N(C(=O)N(C2=O)C(C)(C)C(=O)N)C[C@@H](c4ccccc4OC)OC5CCOCC5	6U3	2-[1-[(2~{r})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide
+C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	6U4	[[(2r,3s,5r)-5-(6-azanyl-2-oxidanylidene-1h-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C	6U5	~{n}-(1-methylindazol-6-yl)butane-1-sulfonamide
+c1cc2c(cc1Cl)nc(s2)CCC(=O)O	6U6	3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid
+Cc1cc(ccc1Nc2c3cc(c(cc3ncn2)OC)OC)Oc4ccccc4	6U7	6,7-dimethoxy-~{n}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine
+CC(C)[C@@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccccc2Br	6U8	(2~{r})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile
+CC1=C([C@@H](C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC	6U9	nimodipine
+C1C(=NC(=O)NC1=O)N	6UA	6-aminopyrimidine-2,4(3h,5h)-dione
+CCOC(=O)C1=C(NC(=C([C@@H]1c2ccccc2Cl)C(=O)OC)C)COCCN	6UB	amlodipine
+CCOC(=O)C1=C(NC(=C([C@H]1c2ccccc2Br)C(=O)OC)C)COCCN(C)C	6UC	o3-ethyl o5-methyl (4r)-4-(2-bromophenyl)-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CNNN)O)O)C(=O)O)O	6UD	5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-d-glycero-d-galacto-non-2-enonic acid
+Cc1ncc(c(n1)c2ccccc2)NC(=O)NC3c4ccccc4-c5c3cccc5	6UE	1-(9~{h}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea
+c1ccc2c(c1)cc(n2CC(=O)NCc3ccccn3)c4cccs4	6UF	~{n}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide
+Cc1ccc(c(n1)c2ccc(cc2)F)NC(=O)c3ccc(cc3F)C(F)(F)F	6UG	2-fluoranyl-~{n}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide
+Cc1c(c(no1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F	6UH	1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
+COc1ccc2cc(ccc2c1)c3c([nH]cn3)c4ccncc4	6UI	4-[4-(6-methoxynaphthalen-2-yl)-1h-imidazol-5-yl]pyridine
+Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3cccc4c3cccc4	6UJ	1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea
+Cc1ncc(c(n1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F	6UK	1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
+CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC	6UL	tetracosyl palmitate
+Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3ccccn3	6UM	1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea
+C(=C/C(=O)C(=O)O)\C=C\O	6UN	(3~{e},5~{e})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid
+c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCOC(=O)c3cccnc3	6UO	2-[(2~{s})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate
+[H]/N=C(\c1ccc2cccc(c2c1)N)/N	6UP	8-aminonaphthalene-2-carboximidamide
+Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)O[C@@H]2[C@H](O[C@H](C[C@H]2O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H](C[C@]5(O4)C)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)C)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@]([C@H](O1)C)([C@H](C)O)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C	6UQ	(2r,3s,4r,6s)-4-hydroxy-6-{[(2r,3ar,4r,4'r,5's,6s,6'r,7ar)-4'-hydroxy-6-{[(2s,3r,4r,5s,6r)-3-hydroxy-2-{[(2r,3s,4s,5s,6s)-4-hydroxy-6-({(2r,3as,3a'r,6s,6'r,7r,7'r,7ar,7a'r)-7'-hydroxy-7'-[(1s)-1-hydroxyethyl]-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4h-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-5-methoxy-2-(methoxymethyl)tetrahydro-2h-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2h-pyran-4-yl]oxy}-4,6',7a-trimethyloctahydro-4h-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-2-methyltetrahydro-2h-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name)
+c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	6UR	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[2-(1~{h}-indol-3-yl)ethyl]p hosphonamidic acid
+c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	6US	[(2~{r},3~{s},4~{s},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[2-(1~{h}-indol-3-yl)ethyl]phosphonamidic acid
+CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O	6UT	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~ {s})-3-(1~{h}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid
+c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)O	6UU	[2-(1~{h}-indol-3-yl)ethylamino]phosphonic acid
+CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O	6UV	(2~{r})-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
+c1cc2c(c(c1)C(=O)O)C(=O)N(C2)Cc3c(cccc3Cl)F	6UW	2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{h}-isoindole-4-carboxylic acid
+CN(c1ccc(cc1)NC(=O)Nc2ccc(cc2)OC(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N	6UX	1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea
+c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N	6UY	[(1~{r})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate
+C=CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	6UZ	omega-undecylenyl-beta-d-maltopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(=C5)C(=O)N)O)O)O)O)N	6V0	[[(2~{r},3~{s},4~{r},5~{r})-5-(5-aminocarbonyl-2~{h}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)O)N	6V1	(2~{r})-2-azanyl-3-[(3~{r})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid
+[H]/N=C(\c1ccc(cc1)CNC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N	6V2	(2r)-2-(benzylsulfonylamino)-n-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-n-methyl-3-phenyl-propanamide
+CN1CCN(CC1)c2cccc3c2ccc(c3)NC(=O)Nc4ccc(cc4)Oc5ccnc6c5cc[nH]6	6V3	1-(4-((1h-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea
+CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)NC(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C	6V4	n-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide
+CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)C(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C	6V5	n-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCCC=CCCCCCC	6V6	[(2~{s})-3-[[(2~{r})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadec-9-enoyloxy-propyl] hexadecanoate
+B([C@H](CC(C)C)NC(=O)[C@H]([C@H](C)O)NC(=O)c1cccc(n1)c2ccccc2)(O)O	6V7	[(1~{r})-3-methyl-1-[[(2~{s},3~{s})-3-oxidanyl-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]butyl]boronic acid
+B([C@H](CC(C)C)NC(=O)CNC(=O)c1cc(ccc1Cl)Cl)(O)O	6V8	[(1~{r})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid
+Cc1ncc(s1)C(=O)O	6V9	2-methyl-1,3-thiazole-5-carboxylic acid
+CC(C)([C@@H]([C@H](Cc1ccccc1)N)O)O	6VA	(3~{r},4~{s})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)Br)S(=O)(=O)O)O)S(=O)(=O)O	6VB	bromo-trisulfonatocalix[4]arene
+CC(C)CCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)[C@H]([C@](C)(CO)O)O	6VC	~{n}-[(2~{s})-1-[[(2~{s},3~{r},4~{s})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide
+CCc1cc(c2ccccc2n1)O	6VD	2-ethyl-4(1h)-quinolinone
+c1cc(ccc1C[C@@H]([C@H](CO)O)N)O	6VF	(2~{r},3~{s})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol
+CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	6VG	~{s}-[2-[3-[[(2~{r})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate
+C[C@]12CCCC(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)[C@@H]1CC[C@@H]2[C@H](CC#CC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O	6VH	(1~{r},3~{s},5~{z})-5-[2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(6~{r})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+c1ccc(cc1)c2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O	6VJ	phenyl-trisulfonatocalix[4]arene
+C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)C4CC4)c5ccccc5	6VK	(4~{s})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
+CC[C@@]1(c2c[nH]nc2NC3=C1C(=O)CC(C3)(C)C)c4ccccc4	6VL	(4~{s})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
+C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)CC(C)(C)C)c4ccccc4	6VM	(4~{s})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
+C[C@@H]1C[C@@H](CC(C1)(C)C)n2c3ccc(cc3nc2Nc4ccc(cc4)C(C)C)C(=O)O	6VN	2-[(4-propan-2-ylphenyl)amino]-1-[(1~{s},5~{s})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid
+CC(C)C[C@@H]([C@H](C(C)(C)O)O)N	6VO	(3~{r},4~{s})-4-azanyl-2,6-dimethyl-heptane-2,3-diol
+c1cc(c(cc1[N+](=O)[O-])C#N)O	6VP	5-nitro-2-oxidanyl-benzenecarbonitrile
+C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[n+](c6c5NC(=NC6=O)N)C)O)O)S)S)O)O	6VQ	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
+CC(C)CN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C(C)(C)C	6VR	2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{n}-(2-methylpropyl)-~{n}-[(3~{s})-piperidin-3-yl]pyrimidine-5-carboxamide
+CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3cnc(nc3NCCCOC)C(C)(C)C	6VS	2-~{tert}-butyl-4-(3-methoxypropylamino)-~{n}-(2-methylpropyl)-~{n}-[(3~{s},5~{r})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide
+c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O)C4(CCC4)O	6VT	6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{h}-indole-3-carboxylic acid
+CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3nc4ccccc4n3CCCCOC	6VU	1-(4-methoxybutyl)-~{n}-(2-methylpropyl)-~{n}-[(3~{s},5~{r})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide
+C1C[C@H]([C@@H](C1)O)O	6VV	(1~{r},2~{r})-cyclopentane-1,2-diol
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34	6VW	(8~{r},9~{s},10~{r},13~{s},14~{s},17~{s})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{h}-cyclop enta[a]phenanthren-3-one
+c1ccc(cc1)[C@@H](C(=O)Nc2nc3ccccc3s2)S(=O)(=O)O	6VX	(1~{s})-2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethanesulfonic acid
+c1ccc(cc1)[C@@H](C(=O)Nc2ccccc2)S(=O)(=O)O	6VY	(1~{s})-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethanesulfonic acid
+CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccc(c(c2)OC)CN)N3CCc4c(ncnc4OCCC5CC5)C3	6VZ	(2~{s},4~{s})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidin-7-yl]-~{n}-methyl-pyrrolidine-2-carboxamide
+Cn1c2ccsc2cc1C(=O)Nc3cccc(c3)COC	6W0	~{n}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
+Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC[C@@H]5CCNC5	6W1	4-methyl-~{n}-[2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
+COc1ccc(cc1)S(=O)(=O)Nc2nccs2	6W2	4-methoxy-n-(1,3-thiazol-2-yl)benzenesulfonamide
+Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC5CCN(CC5)C	6W3	4-methyl-~{n}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
+c1ccc(cc1)C(CNC(=O)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)CN)n4cc(nn4)C5CC5)c6ccccc6	6W4	(2~{s},4~{s})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{n}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCNC(=O)C=C)O	6W5	[(3~{s})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate
+c1cc(n(c1Cl)c2ccsc2C(=O)O)Cl	6W6	3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid
+c1nc2c(n1[C@@H]3CNC[C@@H]3OCP(=O)(O)O)N=CNC2=O	6W7	[(3~{s},4~{r})-4-(6-oxidanylidene-1~{h}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid
+c1nc2c(n1[C@@H]3CNC[C@@H]3OCP(=O)(O)O)N=C(NC2=O)N	6W8	[(3~{s},4~{r})-4-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid
+c1nc2c(n1CCN(CCCCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O	6W9	2-[2-(6-oxidanylidene-1~{h}-purin-9-yl)ethyl-(4-phosphonobutyl)amino]ethylphosphonic acid
+c1c(c2c([nH]1)C(=O)NC=N2)CN(CCCP(=O)(O)O)CCCP(=O)(O)O	6WA	3-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methyl-(3-phosphonopropyl)amino]propylphosphonic acid
+c1nc2c(n1CCN(CCP(=O)(O)O)C[C@@H](CO)O)N=CNC2=O	6WB	2-[[(2~{s})-2,3-bis(oxidanyl)propyl]-[2-(6-oxidanylidene-1~{h}-purin-9-yl)ethyl]amino]ethylphosphonic acid
+c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)N=CNC2=O	6WC	[2-[(6-oxidanylidene-1~{h}-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid
+C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(cc3F)F	6WD	(4~{s},6~{s})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine
+Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3ccc(cc3F)F	6WE	(4~{s},6~{s})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
+c1ccc2c(c1)ccc3c2C=[N+]4NC(=[S-][Fe]4O3)N5CCCCC5	6WF	14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene
+c1ccc(cc1)[C@H]2CCCCN2C=O	6WG	(2~{r})-2-phenylpiperidine-1-carbaldehyde
+COc1cc(ccc1CN)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3c4ccccc4)n5cc(nn5)C6CC6	6WH	(2~{s},4~{s})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{n}-[(1~{s},2~{r})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H](C(=O)O)O)O)O)N=C(NC2=O)N	6WI	3-(guanosine-5'-diphospho)-d-glycerate
+Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)CC4CC4)S(NC5(CC5)C)(O)O	6WJ	1-(cyclopropylmethyl)-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-2,4-dione
+C([C@H]([C@@H](CSSC[C@@H](C(=O)O)N)O)O)S	6WK	(2~{r})-2-azanyl-3-[[(2~{s},3~{s})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid
+Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	6WL	4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccccc5)O	6WM	(8~{r},9~{s},13~{s},14~{s},16~{r},17~{s})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C/C(=C\c5ccccc5)/C2=O)O	6WN	(8~{r},9~{s},13~{s},14~{s},16~{e})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[ a]phenanthren-17-one
+O=[W+4]	6WO	oxo-tungsten(vi)
+c1ccc2c(c1)cccc2OS(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O	6WP	naphthalen-1-yl (1~{s},2~{r},4~{s})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1cc(ccc1C(=C2CCc3c2ccc(c3)Br)c4ccc(cc4)O)O	6WQ	4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol
+c1cc(c(cc1O)Cl)C2=CC[C@H]3[C@@H](C2)CC[C@@H]3O	6WR	(1~{s},3~{a}~{r},7~{a}~{s})-5-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,7,7~{a}-hexahydro-1~{h}-inden-1-ol
+c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)Cl)Cl	6WS	1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene
+c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl	6WT	1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene
+C[C@]12CC=C(C[C@H]1CC[C@@H]2O)c3cc(c(cc3F)O)F	6WU	(1~{s},3~{a}~{r},7~{a}~{s})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O	6WV	(8~{r},9~{s},13~{s},14~{s},17~{s})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2N(C)c5ccccc5)O	6WW	(8~{r},9~{s},13~{s},14~{s},17~{s})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
+CCCN1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	6WX	1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione
+CCN1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	6WY	1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione
+C[C@@H]1CN(CCN1CC(F)(F)F)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	6WZ	1-[[4-fluoranyl-3-[(3r)-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione
+CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OC[C@@H]5CCNC5)COC	6X0	4-ethyl-~{n}-[3-(methoxymethyl)-2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
+c1ccc(c(c1)C(=O)O)NC(=O)Nc2cc(cc(c2)Cl)Cl	6X1	2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid
+CCCN1CCN(C[C@H]1C)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	6X2	1-[[4-fluoranyl-3-[(3r)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione
+Cn1c2ccsc2cc1C(=O)Nc3ccc(cc3)COc4ccc(cc4)OC5CCN(CC5)C	6X3	4-methyl-n-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
+C[C@H](C(=O)N)NC(=O)C(CCCC[NH3+])NC(=O)CC[C@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O	6X4	[6-[[(2~{r})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{r})-5-oxidanyl-5-oxidanylidene-4-[[(2~{s})-2-[[(2~{r})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium
+CCOCc1cccc(c1COc2ccc(cc2)OC[C@@H]3CCNC3)NC(=O)c4cc5c(n4C)ccs5	6X5	~{n}-[3-(ethoxymethyl)-2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
+COc1cccc(c1OC)C(=O)O	6X6	2,3-dimethoxybenzoic acid
+Cc1cc(cc(c1C(=O)O)O)O	6X7	2,4-dihydroxy-6-methyl benzoic acid
+c1ccc(c(c1)O)I	6X8	2-iodanylphenol
+CCC1=C(Nc2c(c(nn2C1=O)C)C#N)C	6X9	6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+C(CCC(=O)NO)CCN	6XA	6-amino-n-hydroxyhexanamide
+CC(=O)N1CCc2c(c(n[nH]2)Nc3ccccc3)C1	6XB	1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
+CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3	6XC	3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
+c1cn(cn1)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3	6XD	1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea
+c1cc2cc(ccc2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)F	6XE	6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
+CC(C)N(Cc1nc(no1)c2ccc(cc2)OC)C(=O)Cc3ccc(cc3)N(=O)=O	6XF	~{n}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{n}-propan-2-yl-ethanamide
+CC(C)NC(=O)c1cccc(c1)Nc2c3c(n(n2)CC4CC4)CCN(C3)C(=O)C	6XG	3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{n}-propan-2-yl-benzamide
+CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)Nc4ccc(cc4F)c5cnn(c5)C)C1	6XH	1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{s})-oxolan-3-yl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-5-yl]ethanone
+c1ccn(c1)c2ccsc2C(=O)O	6XI	3-pyrrol-1-ylthiophene-2-carboxylic acid
+CNC(=O)C[C@@H](Cc1ccc(c(c1)Cl)Cl)NC(=O)CN2c3ccccc3CC[C@@H](C2=O)NC(=O)C[C@H](Cc4ccc(cc4)Br)N	6XJ	(3~{s})-3-azanyl-4-(4-bromophenyl)-~{n}-[(3~{s})-1-[2-[[(2~{r})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{h}-1-benzazepin-3-yl]butanamide
+CC(=O)Nc1cc(ccc1[C@H]2C[C@@H]2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5	6XK	~{n}-[2-[(1~{s},2~{s})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)Nc5ccncn5)C)CO	6XL	6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one
+c1cc2c3c(c1)N(c4cccc5c4C3c6c(cccc6O5)N2CCN7CCOCC7)CCN8CCOCC8	6XM	8,12-bis(2-morpholinoethyl)-8h-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate
+C[C@@H](c1ccc(cc1)Cl)NC(=O)CCc2nc3cccnc3n2Cc4ccc(cc4)OC(F)(F)F	6XN	~{n}-[(1~{s})-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethyloxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
+CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O	6XO	(2~{s})-3-cyclohexyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid
+Cc1ccc(c2c1NC(=O)C2NNC(=O)[C@@H](C)c3ccc(cc3)O)Cl	6XP	(2s)-n'-[(3r)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1h-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide
+Cc1cccc(n1)N(CC(C)(C)C)C(=O)c2ccc(cc2N3CCC(CC3)c4cc5ccc(cc5o4)[C@@H](CC(=O)O)C6CC6)OC	6XQ	(3~{s})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid
+c1ccc(c(c1)c2nc(cs2)C3=N[C@@H](CS3)C(=O)O)O	6XR	(4~{r})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+CN1CCN(CC1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cc(cc(c3Cl)N4CCCCC4=O)F	6XS	5-chloro-thiophene-2-carboxylic acid [(s)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide
+Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)ccn3)NC4CC4	6XT	~{n}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide
+C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F	6XU	(2s)-4,4-difluoro-1-[[(4s)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1h-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid
+c1cc(ccc1C(=O)Nc2ccc(cc2)N=C3NCCN3)N=C4NCCN4	6XV	4-((4,5-dihydro-1h-imidazol-2-yl)amino)-n-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)benzamide dihydrochloride
+CC1=Cc2c(cnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4)c5cc(cnc5)N	6XW	5-(5-aminopyridin-3-yl)-8-(((3r,4r)-3-((1,1-dioxidotetrahydro-2h-thiopyran-4-yl)methoxy)piperidin-4-yl)amino)-3-methyl-1,7-naphthyridin-2(1h)-one
+Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4[C@H](CNC[C@H]4OCC5CCC(CC5)(F)F)OC	6XX	8-(((3r,4r,5s)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1h)-one
+CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Br	6XY	bromopromazine
+COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c3ccc(c4O)O	6XZ	4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one
+CCCCC1=CC(=O)Oc2c1ccc(c2O)O	6Y0	4-butyl-7,8-bis(oxidanyl)chromen-2-one
+c1ccc(c(c1)C(=O)NC23CC4CC(C2)CC(C4)C3)[SeH]	6Y1	~{n}-(1-adamantyl)-2-selanyl-benzamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O	6Y2	~{n}-[(2~{s},3~{r},4~{r},5~{r},6~{r})-2-[(2~{r},3~{s},4~{r},5~{r},6~{s})-5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
+c1ccc(c(c1)C(=O)Nc2ccc(cc2)N)[SeH]	6Y3	~{n}-(4-aminophenyl)-2-selanyl-benzamide
+CC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4ncc(c(n4)C(F)(F)F)CO	6Y4	[2-[(6~{r})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
+C(CC(=O)C(=O)O)CF	6Y5	5-fluoranyl-2-oxidanylidene-pentanoic acid
+CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)COC	6Y6	2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1h-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-d-glycero-d-galacto  -non-2-enonic acid
+CCn1cc(cn1)n2c3c(ccc(c3F)Cl)c(c2C4CC4)Sc5cccc(c5F)C(=O)O	6Y7	3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid
+CC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4c(cnc(n4)OC)F	6Y8	(6~{r})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole
+C[C@@]1(CCCN1C)C(=O)O	6Y9	(2~{r})-1,2-dimethylpyrrolidine-2-carboxylic acid
+CS(=O)(=O)CCCn1c2ccc(cc2cc1CN3c4cnccc4N(C3=O)CC(F)(F)F)Cl	6YA	3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one
+[H]/N=C(\N)/NCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6YB	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-carbamimidamidoethyl)amino]-2-azanyl-butanoic acid
+COCCN(C[C@H]1CCCN(C1)CC#C)C(=O)c2ccc3ccccc3c2	6YC	~{n}-(2-methoxyethyl)-~{n}-[[(3~{s})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide
+Cn1cc(cn1)c2cccc(n2)C(=O)Nc3cn(nc3C(=O)N)C	6YD	~{n}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
+Cn1cc(c(n1)C(=O)N)NC(=O)c2cnn3c2nc(cc3)N4CCNCC4	6YE	~{n}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
+COc1cc(cc(c1Oc2ccc(c(c2)Cl)C#N)OC)NS(=O)(=O)C(F)(F)F	6YF	n-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide
+COc1ncc(cn1)CN2CCC[C@@H](C2)C3=NC(=O)C=C(N3)c4cccs4	6YG	2-[(3~{s})-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]-6-thiophen-2-yl-1~{h}-pyrimidin-4-one
+c1ccc2c(c1)ncn2CC(=O)c3ccc(cc3)S(=O)(=O)N	6YH	4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide
+C[C@@H](C[C@H](Cc1ccc(cc1)N)N)C(=O)O	6YJ	(2~{s},4~{r})-5-(4-aminophenyl)-4-azanyl-2-methyl-pentanoic acid
+CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)N)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@]3(CCCN3C)C	6YK	(2~{s},4~{r})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-3-[[(2~{s},3~{s})-2-[[(2~{r})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid
+Cc1c(cn(n1)C)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3C(=O)N(C)C)F	6YL	2-[(1~{r})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{n},~{n}-dimethyl-benzamide
+c1cc(c(c(c1)F)c2ccc3cnc(n3n2)Nc4cnccc4N5CCC[C@@H](C5)N)F	6YN	~{n}-[4-[(3~{s})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
+CCCCc1ccc(cc1)S(=O)(=O)N	6YP	4-butylbenzenesulfonamide
+c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)Cl)S(=O)(=O)N	6YQ	4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)OC)O)O	6YR	methyl 1-seleno-2-o-methyl-beta-l-fucopyranoside
+c1cc(c(cc1SC[C@@H]2[C@H]([C@H]3[C@@H]([C@H]3[C@@]2(C(=O)O)N)C(=O)O)O)F)F	6YS	(1~{s},2~{r},3~{s},4~{s},5~{r},6~{r})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
+c1ccnc(c1)CSC[C@@H](C(=O)O)NC(=O)c2c(cccn2)O	6YT	n-(3-hydroxypicolinoyl)-s-(pyridin-2-ylmethyl)-l-cysteine
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)/C(=C/C=NCCCCNCC=C=C)/C	6YU	fad-mdl72527 adduct
+B(c1ccccc1/C=C/C(=O)O)(O)O	6YV	(~{e})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	6YW	[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	6YX	[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	6YY	bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N	6YZ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]phosphinic acid
+[H]/N=C\1/N[C@](C(CO1)(F)F)(C)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	6Z0	n-[3-[(4r)-2-azanylidene-5,5-bis(fluoranyl)-4-methyl-1,3-oxazinan-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+Cc1cc(no1)C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O	6Z1	2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
+C[C@@H](c1ccc(cc1)F)N2c3c(cnc(n3)Nc4cccnc4)C(C2=O)(C)C	6Z2	7-[(1~{s})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C#N)O	6Z3	(2~{s},4~{r})-1-[(2~{s})-2-[(1-cyanocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1ccc(cc1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(=O)O)Cl	6Z4	(3~{s})-8-[2-azanyl-6-[(1~{r})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
+CC1(c2cnc(nc2N(C1=O)[C@H]3C=Cc4c3cccc4O)Nc5ccccc5)C	6Z5	5,5-dimethyl-7-[(1~{s})-4-oxidanyl-1~{h}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one
+COc1ccc(cc1)C2C(=C(OC3=C2C(=O)C[C@H](C3)c4cccc5c4cccc5)N)C#N	6Z6	2-amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4h-chromene-3-carbonitrile
+COc1cc(cc(c1)O)Nc2ccc(cc2)C(=O)Nc3ccc4c(c3)C[NH2+]CC4	6Z7	7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium
+CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C	6Z8	8-[(3~{r})-3-azanylpiperidin-1-yl]-7-[(2-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
+c1ccc2c(c1)CCC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	6Z9	3-[(1s)-1,2,3,4-tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=S)(O4)O)O)NC(=NC2=O)N	6ZA	2-amino-9-[(2r,4ar,6r,7r,7as)-2,7-dihydroxy-2-sulfanylidenetetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6h-purin-6-one
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NO)N	6ZB	n-hydroxy-l-tryptophanamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O	6ZC	4-nitrophenyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CS(=O)(=O)NCCNC(=O)CCl)O)O)O)NC(=NC2=O)N	6ZD	5'-o-[(r)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine
+CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C	6ZE	2,3,5-trimethyl-6-propyl-7h-furo[3,2-g][1]benzopyran-7-one
+CN(C)c1ccc(cn1)c2cc3c(c(n2)NC[C@H]4CCCNC4)nccn3	6ZF	7-[6-(dimethylamino)pyridin-3-yl]-~{n}-[[(3~{s})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
+Cc1ccc(cc1)c2cc3c(c(n2)NCCCCN)nccn3	6ZG	~{n}'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=[NH2+])N)O)O)N	6ZH	[[[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azanium
+c1cc(ccc1c2ccc(nc2)C3CC3)C4(COC4)C(=O)Nc5ccc(cc5)F	6ZI	3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-n-(4-fluorophenyl)oxetane-3-carboxamide
+C1C(=O)O[Fe]234(OC(=O)CC1(C(=O)O2)O)OC(=O)CC(CC(=O)O3)(C(=O)O4)O	6ZJ	iron(iii) dicitrate
+c1cc(cnc1)CNc2cc(nc3n2ncc3Br)c4ccc(cc4)c5ccc(cc5)C(=O)N	6ZK	4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
+CCCCCCCCC(CCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O	6ZL	2-{[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CC(=O)N1CCc2c(cnc(n2)NC3Cc4ccccc4C3)C1	6ZM	1-{2-[(2,3-dihydro-1h-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5h)-yl}ethan-1-one
+c1ccc2c(c1)CC(C2)Nc3ncc4c(n3)CCN(C4)CCC(=O)c5ccc6c(c5)OC(=O)N6	6ZN	6-(3-{2-[(2,3-dihydro-1h-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5h)-yl}propanoyl)-1,3-benzoxazol-2(3h)-one
+c1cc2c(cc1C(=O)CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)OC(=O)N2	6ZO	(3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
+c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4	6ZP	2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile
+CCN(CC)Cc1cccc(n1)CCC2=Nc3ccc(cc3C(=O)N2c4ccccc4Cl)F	6ZQ	3-(2-chlorophenyl)-2-(2-{6-[(diethylamino)methyl]pyridin-2-yl}ethyl)-6-fluoroquinazolin-4(3h)-one
+C[C@@H]1[C@@H](N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC	6ZR	(3r,4r)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
+CC[C@@](C)(C(=O)O)N	6ZS	l-isovaline
+Cc1cc(ccc1[C@H]2c3c(nn(c3C(C)C)c4ccccc4OC)C(=O)N2c5cc(ccc5OCCN(C)C)Cl)Cl	6ZT	(4~{s})-5-[5-chloranyl-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloranyl-2-methyl-phenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-c]pyrazol-6-one
+CC1=C(C(=O)Oc2c1ccc(c2)OS(=O)(=O)C)Cc3ccccc3	6ZU	3-benzyl-4-methyl-2-oxo-2h-1-benzopyran-7-yl methanesulfonate
+CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F	6ZV	n-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1h-benzimidazol-6-yl]py rimidin-2-amine
+CCN(CC)c1ccc2c(c1)OC(=O)C=C2C	6ZW	7-(diethylamino)-4-methyl-2h-1-benzopyran-2-one
+C/C(=C\C(=O)O)/c1ccc(cc1)Cl	6ZX	(e)-3-(4-chlorophenyl)but-2-enoic acid
+Cc1c(oc2c1cc3c(c2)OC(=O)C(=C3C)CCC(=O)N4CCCCC4)C	6ZY	2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7h-furo[3,2-g][1]benzopyran-7-one
+CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5	6ZZ	7-cyclopentyl-n,n-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl	700	[5-chloro-1h-indol-2-carbonyl-phenylalaninyl]-azetidine-3-carboxylic acid
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C(/C)\c3ccc(s3)Cl	701	(2r)-2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}propene-1-sulfonamide
+c1ccc(cc1)Cc2ccccc2Oc3cccc(c3)CCC[C@H](P(=O)(O)O)S(=O)(=O)O	702	(1r)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid
+c1cc(cc(c1)[N+](=O)[O-])c2cc3c(s2)cc4n3C(=S)N(C4=O)CCCN5CCOCC5	703	5-(3-morpholin-4-yl-propyl)-2-(3-nitro-phenyl)-4-thioxo-4,5-dihydro-1-thia-3b,5-diaza-cyclopenta[a]pentalen-6-one
+C[C@@H](C(=O)N(C)C)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F	704	n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-n,n-dimethyl-l-alaninamide
+CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	705	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-propylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C	706	n-(3,3-dimethyl-2,3-dihydro-1h-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide
+COc1ccc(cc1Br)C(=O)NCCC(=O)O	707	n-(3-bromo-4-methoxybenzoyl)-beta-alanine
+CC(C)c1c(c(no1)C[S@H](c2c(cccc2Cl)Cl)O)COc3ccc(c(c3)Cl)\C=C\c4cccc(c4)C(=O)O	708	3-[(e)-2-(2-chloro-4-{[3-{[(r)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
+[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)c3cccc(c3C)O)/N	709	n-(7-carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide
+Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C6(CC6)c7[nH]nnn7)C	70A	(2r,15r)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1h-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
+COc1cccc(c1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4cccc(c4)OC)O)CO)O	70B	bis-(3-deoxy-3-(3-methoxy-benzamido)-b-d-galactopyranosyl)-sulfide
+Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCCCC6)C(=O)O)C	70C	1-[(2r,15r)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid
+Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCC6)C(=O)O)C	70D	1-[(2r,15r)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid
+CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	70E	6-o-[(2r,3r)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-l-idopyranose
+Cc1cccc2c1[C@H](CCC2)CCC(=O)O	70G	3-[(1r)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid
+Cc1cccc2c1c(ccc2)/C=C/CC(=O)O	70H	(3e)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid
+CC1(CC1)NS(c2ccc3c(c2)C(=O)N(C(=O)N3Cc4ccccc4)C)(O)O	70J	3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione
+CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCCC5	70K	6-hydroxy-3-(piperidine-1-carbonyl)-1h-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide
+CCNC(=O)C1(CCC1)c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4	70L	1-[2-amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide
+c1cc(ccc1C#N)N2CCN(CC2)CCCCc3c[nH]c4c3cc(c(c4)O)C#N	70M	3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{h}-indole-5-carbonitrile
+CN1CCN(CC1)S(=O)(=O)c2cc(c(cc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5)F)F	70N	[2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
+CC(C)(C)CCc1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)C4CCN(CC4)C	70O	3-(3,3-dimethylbutyl)-~{n}-methyl-~{n}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{h}-indazole-5-carboxamide
+C[C@@H](c1ccccc1)Nc2nccc(n2)N3[C@H](COC3=O)C(C)C	70P	(4s)-3-(2-{[(1s)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one
+CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C2=NN(C(=O)c3c2cccc3)Cc4ccccc4	70Q	3-benzyl-n-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7CC(F)(F)F)C(=O)O	70R	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid
+c1cc2c(cc1N)c[nH]n2	70S	2h-indazol-5-amine
+Cc1cc2cc(ccc2[nH]1)[N+](=O)[O-]	70T	2-methyl-5-nitro-1h-indole
+COC(=O)CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	70U	5-(o-methylaceto)-2-thio-2-deoxy-uridine-5'-monophosphate
+CC1C(=O)CCCC1=O	70V	2-methylcyclohexane-1,3-dione
+CC(C)(C)OC(=O)N1CCC(CC1)N	70W	tert-butyl 4-aminopiperidine-1-carboxylate
+[H]/N=C\1/N[C@](CC(=O)N1Cc2cccc(c2)C(=O)NCc3ccccc3)(C)C(C)C	70X	n-benzyl-3-{[(2z,4s)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2h)-yl]methyl}benzamide
+[H]/N=C\1/N[C@](CC(=O)N1Cc2cccc(c2)N3C[C@H](CC3=O)c4ccccc4)(C)C(C)C	70Y	(2z,6s)-2-imino-6-methyl-3-{3-[(4r)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1h)-one
+CCCCN(C)C(=O)c1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)N4CCOCC4	70Z	~{n}3-butyl-~{n}3,~{n}5-dimethyl-~{n}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{h}-indazole-3,5-dicarboxamide
+c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c(n[nH]n6)CO	710	(5-{3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazol-6-yl}-2h-1,2,3-triazol-4-yl)methanol
+Cc1[nH]c2ccc(cc2[n+]1Cc3ccc4ccc(cc4c3)C(=N)N)OC5CCN(CC5)C(=N)C	711	7-[[6-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-2-methyl-benzimidazol-1-yl]methyl]naphthalene-2-carboximidamid
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)COC(=O)[C@@](C)(Cc3ccccc3)N	712	3-({[(1r)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(methylsulfonyl)amino]benzyl alpha-methyl-d-phenylalaninate
+Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)C	713	n-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]benzamide
+CCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	714	1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium
+c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N	715	(2r)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-1-(2,4,5-trifluorophenyl)butan-2-a mine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)[C@H](C(C)C)NC(=O)C(=O)c2cccc(c2)Cl	716	2-[2-(3-chloro-phenyl)-2-hydroxy-acetylamino]-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide
+c1csc2n1cc(n2)CO	717	imidazo[2,1-b][1,3]thiazol-6-ylmethanol
+c1cc2c(cc1O)CCCC2=O	718	6-hydroxy-3,4-dihydronaphthalen-1(2h)-one
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NC\C=C\[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5NCCO)O)O)F	719	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(2-hydroxyethylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+c1cc(cnc1)O	71A	pyridin-3-ol
+COc1ccc(cc1F)N	71B	3-fluoro-4-methoxyaniline
+c1ccc(cc1)Oc2cccc(c2)CN(C3CCCc4c3cccc4)C(=O)c5cc(c(cc5C(=O)O)C(=O)O)C(=O)O	71C	5-{[(3-phenoxyphenyl)methyl][(1s)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
+CC(C)NC(=O)[C@H](Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)C#N	71D	(2r)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)propanami de
+CC(C)[C@H](C(=O)N[C@H]1Cc2ccc3c(c2)[C@@]4(c5cc(ccc5N[C@@H]4O3)F)c6c(nc(o6)[C@@H](NC1=O)C(C)(C)C)c7nc(co7)CO)O	71E	dz 2384
+COc1ccccc1C(=O)O	71F	2-methoxybenzoic acid
+c1cc(cc(c1)N)C#N	71G	3-aminobenzonitrile
+CCN(CC)CCN(CC12CC(C1)(C2)c3ccc(cc3)C(F)(F)F)C(=O)CN4C5=C(CC=C5)C(=O)N=C4SCc6ccc(cc6)F	71H	~{n}-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5~{h}-cyclopenta[d]pyrimidin-1-yl]-~{n}-[[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]methyl]ethanamide
+CCCCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	71I	(3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d] [1,3]thiazole-6,7-diol
+C1CC(CCC1O)O	71J	trans-cyclohexane-1,4-diol
+Cc1c(cccc1N)N	71K	2-methylbenzene-1,3-diamine
+Cc1cc(nc(c1)N)C	71L	4,6-dimethylpyridin-2-amine
+Cc1cccc(n1)N	71M	6-methylpyridin-2-amine
+c1cc2c(cc1N)nc([nH]2)C(F)(F)F	71N	2-(trifluoromethyl)-1h-benzimidazol-5-amine
+c1cnc(nc1)O	71O	pyrimidin-2-ol
+CC(=O)N[C@@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	71P	~{n}-[(7~{r})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{h}-benzo[a]heptalen-7-yl]ethanamide
+c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)Nc3cc(ccc3Cl)C(F)(F)F	71Q	n-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
+[H]/N=C(\N)/N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(CO)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N\[H])/N)O	71R	dihydrostreptomycin
+Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@H](Cc3cc(cc(n3)N)C)CN	71S	6-[(2s)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine
+COc1ccc(cc1)N2CCN(CC2)C(=O)c3cc4c(s3)-c5ccccc5S(=O)(=O)C4	71T	2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4h)-dione
+c1cc(c(cc1Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)CN	71U	(2~{s})-~{n}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{r})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(nc2S)N	71V	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4	71W	(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
+CCc1c(c([nH]c1C(=O)N[C@@H]2c3cc(ccc3CC[C@H]2O)Cl)C)C(=O)C	71X	~{n}-[(1~{r},2~{r})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide
+CCc1c(c([nH]c1C(=O)N[C@H]2c3cc(ccc3CC[C@@H]2O)Cl)C)C(=O)C	71Y	~{n}-[(1~{s},2~{s})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole -2-carboxamide
+CCCn1cc(nc1)C[C@H](CCCN)C(=O)O	720	(2s)-5-amino-2-[(1-propyl-1h-imidazol-4-yl)methyl]pentanoic acid
+CCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	721	3-butoxy-1-(2,2-diphosphonoethyl)pyridinium
+CCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	722	1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium
+c1ccc(cc1)C2=C(C(=O)Nc3c2cc(cc3)Cl)CC(=O)O	723	(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid
+C[C@]1(C(=O)NC(=O)N1)CN2C(=O)c3cc(ccc3N2)OC	724	(5r)-5-[(5-methoxy-3-oxo-1,3-dihydro-2h-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
+CNc1[nH]c2c(n1)cc3c(c2CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)OC)N=C(NC3=O)N	725	6-amino-2-(methylamino)-4-(2-((2r,3r,4r,5r)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1h-imidazo[4,5-g]quinazolin-8(7h)-one
+CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OC)OC)OC)OC)N=C(NC3=O)N	726	6-azanyl-2-(methylamino)-4-[2-[(2~{r},3~{r},4~{s},5~{r},6~{s})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
+COc1ccc2c(c1)C(=O)N(N2)C[C@@]3(C(=O)NC(=O)N3)c4ccccc4	727	(5r)-5-[(5-methoxy-3-oxo-1,3-dihydro-2h-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
+c1ccc(c(c1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br	728	1-(4-aminobenzyl)-3-{2-[(2r)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea
+Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	729	n-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1h-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+CNC1C[S]2CC[S]3[Ru]24(n5c6ccc(cc6c7c5c8c(c9c7C(=O)NC9=O)C=C(C=[N]48)F)OC)([S](C1)CC3)[N]CS	72B	[(amino-kappan)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h,12h)-dionato-kappa~2~n,n')(n-methyl-1,4,7-trithiecan-9-amine-kappa~3~s~1~,s~4~,s~7~)ruthenium
+CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CCc3c4c(cc5c3N=C(NC5=O)N)[nH]c(n4)NC)C	72C	4-[2-[(3~{a}~{r},4~{r},6~{r},6~{a}~{r})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N	72D	4-(phenyl)-benzenesulfonamide
+Cc1ccccc1c2ccc(cc2)S(=O)(=O)N	72E	4-(2-methylphenyl)-benzenesulfonamide
+Cc1ccc(cc1C#Cc2c3cncnc3n(c2C[C@@H](C#N)C(=O)NC)CCOC)NC(=O)c4cccc(c4)C(F)(F)F	72F	n-[3-({6-[(2s)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
+c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)N)C=O	72G	4-(3-formylphenyl)-benzenesulfonamide
+c1ccc2c(c1)cc(cn2)c3ccc(cc3)S(=O)(=O)N	72H	4-(3-quinolinyl)-benzenesulfonamide
+I[Hg-2](I)(I)I	72I	tetraiodomercurate(2-)
+c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)/C=C/CCCNC(=O)CCCCCCCCCO	72J	7-(n-(10-hydroxydecanoyl)-aminopentenyl)-7-deaza-2'-datp
+Cc1c2c(cccc2n(n1)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)c5cc6ccccc6nc5	72K	4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide
+c1ccc(cc1)c2cccc(c2)c3c4c(nc[nH]4)nc(n3)Nc5ccc(cc5)S(=O)(=O)N	72L	4-[[6-(3-phenylphenyl)-7~{h}-purin-2-yl]amino]benzenesulfonamide
+Cc1ccc(cc1)Cc2cc(c(c(c2)O)O)C(=O)NC/C=C/[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	72M	~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamide
+Cc1nnc(n1c2ccccc2)C3CC3	72N	3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole
+Cc1c(sc(n1)COc2cccc(c2)Cl)c3ccn[nH]3	72O	2-[(3-chloranylphenoxy)methyl]-4-methyl-5-(1~{h}-pyrazol-5-yl)-1,3-thiazole
+Cc1c(c2ccc(cc2n1c3ccccc3)Cl)Sc4cccc(c4)C(=O)O	72P	3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid
+CS(=O)(=O)c1ccc(c2c1[C@@H]([C@@H]([C@@H]2F)F)O)Oc3cc(cc(c3)F)C#N	72Q	3-{[(1s,2s,3r)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1h-inden-4-yl]oxy}-5-fluorobenzonitrile
+c1cc2c(cc1F)C(=O)C(=O)N2	72R	5-fluoranyl-1~{h}-indole-2,3-dione
+Cc1cccc2c1NC(=O)C2=O	72S	7-methyl-1~{h}-indole-2,3-dione
+c1cc2c(c(c1)C(F)(F)F)NC(=O)C2=O	72T	7-(trifluoromethyl)-1~{h}-indole-2,3-dione
+COC(=O)c1cccc2c1NC(=O)C2=O	72U	methyl 2,3-bis(oxidanylidene)-1~{h}-indole-7-carboxylate
+CN1c2ccccc2C(=O)C1=O	72V	1-methylindole-2,3-dione
+CCc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	72W	~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide
+CNC[C@H](CC1CCCCC1)NC(=O)N2CCC[C@H](C2)[C@@](CCCCOC)(c3cccc(c3)Cl)O	72X	(3r)-3-[(1s)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-n-{(1s)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide
+Cc1cnc(c(c1Cl)C)Cn2ccc3c2nc(nc3Cl)N	72Y	4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN/C(=N\[H])/N)NS(=O)(=O)c3ccc4ccccc4c3)/N	730	(s)-3-(3-(4-(2-guanidinoethyl)piperidin-1-yl)-2-(naphthalene-2-sulfonamido)-3-oxopropyl)benzimidamide
+Cc1c(sc(n1)C)c2cc(n[nH]2)C(=O)N3CCN(CC3)c4ccccc4	731	[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1~{h}-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
+CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)Cl	732	5-(4-chlorophenyl)-n-[(1s)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
+Cc1cc(c2cc(cc(c2n1)C(=O)N)F)NCc3c(ccc(c3Cl)Cl)Cl	733	6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide
+c1ccnc(c1)N[C@@H](c2ccco2)c3cc(c4cccnc4c3O)Cl	734	5-chloro-7-[(r)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol
+Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NCc3ccc(cc3)OC(C)(C)C(=O)O	735	2-methyl-2-(4-{[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)amino]methyl}phenoxy)propanoic acid
+CS(=O)(=O)N1CCC(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)N5CCNCC5)Cl	736	(11s)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11h-benzo[5,6]cyclohepta[1,2-b]pyridine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)NCc3cccc4c3nccc4)c5cccc(c5)C	737	n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]-2-m-tolyl-6h-pyrimidin-1-yl}-acetamide
+c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C#N)F	738	n-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
+CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)O)NC[C@H](CS)N	739	2(s)-{2(s)-[2(r)-amino-3-mercapto]propylamino-3(s)-methyl}pentyloxy-3-phenylpropionylmethionine sulfone
+CC(C)NC(=O)/C(=C/c1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)/C#N	73A	(2e)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)prop-2-enamide
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl	73B	4-[(2s,4r)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid
+CCCCOC[C@@H](C(=O)O)N	73C	(2~{s})-2-azanyl-3-butoxy-propanoic acid
+CCN1c2ccccc2C(=O)C1=O	73D	1-ethylindole-2,3-dione
+c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	73E	(1s)-1,5-anhydro-1-(5-phenyl-4h-1,2,4-triazol-3-yl)-d-glucitol
+c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O	73F	1-(2-phenylethyl)indole-2,3-dione
+CCCCOC(=O)CN1c2ccccc2C(=O)C1=O	73G	butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate
+c1ccc(cc1)CCN2c3ccc(cc3C(=O)C2=O)F	73H	5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)O)c5ccc(cc5)O)O	73I	(1s,2r,4s,5s,6s)-n,5,6-tris(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7ccc(cc7n6)F	73J	~{n}-[(9~{r})-4-(5-fluoranyl-1~{h}-benzimidazol-2-yl)-9~{h}-fluoren-9-yl]-1~{h}-pyrrolo[2,3-b]pyridine-4-carboxamide
+CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4ccco4	73K	n-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+Cc1c(sc(n1)C)CN2c3ccc(cc3C(=O)N(C2=O)Cc4cnn(c4)C)S(NC5(CC5)C)(O)O	73L	1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione
+N[Pt](N)(O)Cl	73M	bis(azanyl)-chloranyl-oxidanyl-platinum
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)O	73N	(2~{s})-5-carbamimidamido-2-(carboxyamino)pentanoic acid
+c1cc(ccc1CC[C@@H](C(=O)O)N)O	73O	(2~{s})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid
+C(CCN)C[C@@H](C(=O)O)NC(=O)O	73P	(2~{s})-6-azanyl-2-(carboxyamino)hexanoic acid
+Cc1c2c(n(n1)C)N(c3ccc(cc3C2=O)Cl)O	73Q	6-chloro-9-hydroxy-1,3-dimethyl-1,9-dihydro-4h-pyrazolo[3,4-b]quinolin-4-one
+CCC[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)Nc3c4cc(ccc4ncn3)C(F)(F)F)N(C)C(C)C	73R	(3s)-1-{(1s,2r,4r)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4c(cnc(n4)N)Cl)c5[nH]c6ccncc6n5	73S	2-azanyl-5-chloranyl-~{n}-[(9~{r})-4-(1~{h}-imidazo[4,5-c]pyridin-2-yl)-9~{h}-fluoren-9-yl]pyrimidine-4-carboxamide
+Cc1c(cccc1N2C(=O)c3cccc(c3N(C2=O)C)F)c4c(cc(c5c4c6c([nH]5)C[C@H](CC6)C(C)(C)O)C(=O)N)F	73T	6-fluoro-5-(r)-(3-(s)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4h)-yl)-2-methylphenyl)-2-(s)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide
+Cc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccc(cc3)NC	73U	5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione
+CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OCc3ccccc3	73V	benzyl n-({(2s,3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)S)O)O	73W	5'-o-[(dithiophosphono)]cytidine
+c1cc(c(cc1N2CCN(CC2)c3cnc(nc3N)N)Cl)Cl	73X	5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine
+c1ccc2c(c1)cc(cn2)c3cccc4c3-c5ccccc5[C@H]4NC(=O)c6c(cnc7c6nc[nH]7)Br	73Y	6-bromanyl-~{n}-[(9~{r})-4-quinolin-3-yl-9~{h}-fluoren-9-yl]-3~{h}-imidazo[4,5-b]pyridine-7-carboxamide
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(=O)CC4)C(=O)N	73Z	2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide
+c1cc(ccc1CC(=O)Nc2c3cc(ccc3[nH]n2)N4CCCS4(=O)=O)N5CCCCC5	740	n-[5-(1,1-dioxidoisothiazolidin-2-yl)-1h-indazol-3-yl]-2-(4-piperidin-1-ylphenyl)acetamide
+Cn1ccnc1Sc2ccc(cc2Cl)Nc3c4cc(c(cc4ncc3C#N)OCCC[N@@](C)CCO)OC	741	4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile
+CCCCCCCCCCCC[P+](C)(C)CC(P(=O)(O)O)P(=O)(O)O	742	(2,2-diphosphonoethyl)(dodecyl)dimethylphosphonium
+CCC/C(=N/OCc1ccc(cc1)c2ccc(cc2)F)/[C@@H]3C(=O)CC([C@@H](C3=O)C#N)(C)C	743	(1r,5r)-5-{(1z)-n-[(4'-fluorobiphenyl-4-yl)methoxy]butanimidoyl}-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile
+Cc1ccc(cc1NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3)Cl	744	(3s)-n-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
+[H]/N=C(/c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4)\N	745	trans-6-(2-phenylcyclopropyl)-naphthalene-2-carboxamidine
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=N3)Nc4ccc(cc4)C(=O)N5CCOCC5)C	746	4-tert-butyl-n-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide
+CN1C(=N/C(=C\c2cc(c(c(c2)F)O)F)/C1=O)/C=N/O	747	(5z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(e)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4h-imidazol-4-one
+Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN(CCN(C)C)C(=O)c5cccnc5	748	n-[2-(dimethylamino)ethyl]-n-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]pyridine-3-carboxamide
+CC(=CCC/C(=C/CC(P(=O)(O)O)(P(=O)(O)O)C/C=C(/CCC=C(C)C)\C)/C)C	749	[(6e,11e)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid)
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3CN(CCN3)C(=O)c4ccccc4)O)C	74A	n'-{(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+c1c(c(cc(c1[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF)F)F)CNCC(F)(F)F	74B	(4ar,6r,8as)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+[CH3]	74C	methyl radical
+Cc1c(c2ccccc2n1[C@H](C)C3CCN(CC3)CC(C)(F)F)C(=O)NCC4C(=CC(=NC4=O)C)OC	74D	1-[(1~{r})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{n}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{h}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N	74E	2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide
+C[C@@H](c1nc(nn1C)c2cnc(c(n2)n3c4ccccc4nn3)N)N5CCOCC5	74F	3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{s})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine
+C[n+]1ccc(c2c1cccc2)C[C@H]3N(c4ccccc4S3)CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	74G	4-{[(2s)-3-{2,16-dioxo-20-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2,3-dihydro-1,3-benzothiazol-2-yl]methyl}-1-methylquinolin-1-ium
+Cn1c(nc(n1)c2cnc(c(n2)n3ccc(n3)C(=O)N)N)C4(CC4)c5ccccc5	74H	1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide
+Cn1c(nc(n1)c2cnc(c(n2)n3cc(cn3)C(=O)N)N)C4(CC4)c5ccccc5	74J	1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide
+Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)C(=O)N)N)C4(CC4)c5ccccc5	74K	4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide
+Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)S(=O)(=O)N(C)C)N)C4(CC4)c5ccccc5	74L	4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-~{n},~{n}-dimethyl-pyrazole-1-sulfonamide
+CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OC	74M	methyl n-({(2s,3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate
+Cn1c(nc(n1)c2cnc(c(n2)c3ccc(cc3)C(=O)N)N)C4(CC4)c5ccccc5	74N	4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide
+Cn1c(nc(n1)c2cnc(c(n2)c3c[nH]nc3)N)C4(CC4)c5ccccc5	74O	5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{h}-pyrazol-4-yl)pyrazin-2-amine
+CC(=O)C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	74P	(e)-n~6~-(1-carboxy-3-oxobutylidene)-l-lysine
+Cn1c(nc(n1)c2cnc(c(n2)n3c4ccccc4nn3)N)C5(CC5)c6ccccc6	74Q	3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine
+C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)Cn4c5ccccc5c6c4cccc6)CCc7ccccc7	74S	9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole 
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC6CCN(CC6)C7CCCC7	74T	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate
+c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4	74U	n-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine
+CCN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C	74V	n-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-n-[(3s)-piperidin-3-yl]pyrimidine-5-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O	74W	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2r,3s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O	74X	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2r,3s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea
+Cc1ccc(c(n1)NCc2ccco2)C(=O)N3CCCCCC3	74Y	(azepan-1-yl)(2-{[(furan-2-yl)methyl]amino}-6-methylpyridin-3-yl)methanone
+c1cc(oc1)CNc2c3c4c(sc3ncn2)CCCC4	74Z	n-[(furan-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+CC(C)C[C@@H](C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc2cccc(c2)c3ccccn3)NC(=O)c4cc5cc(ccc5o4)OCCN6CCOCC6	750	5-(2-morpholin-4-ylethoxy)benzofuran-2-carboxylic acid ((s)-3-methyl-1-{(s)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-ylcarbamoyl}butyl)amide
+COc1ccc(cc1)c2cccc(c2)S(=O)(=O)N3CCN(CC3)c4c(nccn4)c5ccc(cc5)OC	751	2-{4-[(4'-methoxybiphenyl-3-yl)sulfonyl]piperazin-1-yl}-3-(4-methoxyphenyl)pyrazine
+c1ccc(c(c1)c2[nH]c(nn2)SCC(=O)Nc3nc4ccccc4s3)C(=O)O	752	2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4~{h}-1,2,4-triazol-3-yl]benzoic acid
+Cc1c2c(nc(nc2sc1C(=O)O)CCc3ccccc3)NC	753	5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid
+CCCOc1cc2c(cc1/C(=C\C=C\C(=C\C(=O)O)\C)/C)C(CCC2(C)C)(C)C	754	(2e,4e,6z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid
+CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc2cc(ccc2C(=O)O)Cl	755	4-chloro-2-[({(1s,2s)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid
+Cc1cc2cc(ccc2o1)C(=O)N3CCC[C@@H](C3)c4[nH]c5ccccc5n4	756	[(3s)-3-(1h-benzimidazol-2-yl)piperidin-1-yl](2-methyl-1-benzofuran-5-yl)methanone
+CC(C)[C@@H](C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)NC(=O)C[C@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O	757	5-[[(2s)-2-[[(3r,4s)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1r)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid
+CC(C)(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]ccn2)Cl	758	2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-n-(1h-imidazol-2-yl)benzamide
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)NCc5ccc(cc5)C6=C(NCS6)C)O)C(C)(C)C)c7ccc(cc7)Cl)C	759	(2~{s},4~{r})-1-[(2~{s})-2-[2-[2-[2-[2-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c2cccc(c2)I)C(=O)N	75A	n-acetyl-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithinamide
+c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	75B	5-selenophen-2-yluridine 5'-(dihydrogen phosphate)
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](CO)N)O	75C	5'-({[(2r,3s)-3-amino-4-hydroxy-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine
+CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)O)C(C)C	75D	2,4,6-tri(propan-2-yl)benzenesulfonic acid
+c1csc(c1C2=CNC(=O)C=C2)c3cc(n4c(n3)c(cn4)C#N)NC5CC5	75E	7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CC[C@@]1(c2cn[nH]c2N=C3[C@H]1C(=O)CC(C3)(C)C)c4ccccc4	75F	(4s,4as)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5h-pyrazolo[3,4-b]quinolin-5-one
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)S)O)Cl)N	75G	(2s,4ar,6r,7r,7as)-6-(6-amino-2-chloro-9h-purin-9-yl)-7-hydroxy-2-sulfanyltetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
+CC1=C(C(=O)N(N1CC(C)(C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC	75H	n-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5ccccc5C#N	75J	2-({2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5h-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile
+Cc1nc2c(o1)C=C(OC2=O)C	75K	2,6-dimethyl-4h-pyrano[3,4-d][1,3]oxazol-4-one
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N4CCCN(C4=NC2=O)Cc5nc(c6ccccc6n5)C	75L	2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3h)-one
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5ccc(cc5)C#N	75M	4-({2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5h-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5nc(c6ccccc6n5)C	75N	2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]-3h-imidazo[2,1-b]purin-4(5h)-one
+CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)O	75O	6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1h-indole-3-carboxylic acid
+COc1cc2c(cc1OCCN)nc(nc2NCCCCCN3CCCC3)N4CCCC4	75P	7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-n-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine
+Cc1ccc(c(n1)C)COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl	75Q	1-(4-{3,5-dichloro-4-[(2,6-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine
+Cc1ccnc(c1COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl)C	75R	1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine
+Cc1c(cccn1)COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl	75S	1-(4-{3,5-dichloro-4-[(2-methylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine
+Cc1c(cccn1)COc2ccc(cc2)c3cccc(c3)C4CCNCC4	75T	2-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine
+CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3	75U	ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1h-indole-3-carboxylate
+CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC	75V	n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-alanine
+[H]/N=N/c1ccc(cc1)S(=O)(=O)N	75W	4-[(e)-diazenyl]benzene-1-sulfonamide
+Cc1c(cccc1O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N	75X	3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methylphenol
+c1cc(ccc1NC(=O)CN2C(=O)C=CC2=O)S(=O)(=O)N	75Y	2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{n}-(4-sulfamoylphenyl)ethanamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccc5c(c4)nc[nH]5)F	75Z	n-[2-[5-(1h-benzimidazol-5-yl)-4h-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1ccc(cc1)CNc2c3ccccc3nc4c2CCCC4	760	9-(3-phenylmethylamino)-1,2,3,4-tetrahydroacridine
+c1ccc2cc(c(cc2c1)C(=O)O)NC(=O)C(=O)O	761	3-(oxalyl-amino)-naphthalene-2-carboxylic acid
+c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)Cl	762	3-{5-[amino(iminio)methyl]-6-chloro-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCOCn3ccc4c3ccnc4)F	763	5-(4-fluorophenyl)-2,3-dihydroxy-n-[3-(pyrrolo[3,2-c]pyridin-1-ylmethoxy)propyl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[N+]4(CC4)CC[C@@H](C(=O)O)N)O)O)N	765	5'-{1-[(3s)-3-amino-3-carboxypropyl]aziridin-1-ium-1-yl}-5'-deoxyadenosine
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCc3cc4cnccc4s3)F	766	5-(4-fluorophenyl)-2,3-dihydroxy-n-(4-thieno[3,2-c]pyridin-2-ylbutyl)benzamide
+CN(C)CCCNc1nc2cc(c(cc2c(n1)N(C)C)OC)OC	767	n2-(3-(dimethylamino)propyl)-6,7-dimethoxy-n4,n4-dimethylquinazoline-2,4-diamine
+[H]/N=C/1\N(c2ccccc2N1C[C@H](COc3ccc(cc3Cl)Cl)O)CCN4CCCCC4	768	(2r)-1-(2,4-dichlorophenoxy)-3-[(2e)-2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1h-benzimidazol-1-yl]propan-2-ol
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCC/C=C/Cn3ccc4c3ccnc4)F	769	5-(4-fluorophenyl)-2,3-dihydroxy-n-[(e)-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide
+c1cc(ccc1c2ccc(cc2)O)c3c4c([nH]n3)-c5ccc(cc5C4)C(=O)NC6CCC(CC6)O	76A	3-(4'-hydroxybiphenyl-4-yl)-n-(4-hydroxycyclohexyl)-1,4-dihydroindeno[1,2-c]pyrazole-6-carboxamide
+Cc1cc(ccn1)c2nc([nH]n2)CCNC(=O)c3cc(cc(c3O)O)c4ccc(cc4)F	76B	5-(4-fluorophenyl)-2,3-dihydroxy-n-[2-[5-(2-methylpyridin-4-yl)-4h-1,2,4-triazol-3-yl]ethyl]benzamide
+Cc1c(cncc1F)N2C(=O)c3c(cccc3Cl)N=C2[C@H](C)Nc4c(c(nc(n4)N)N)C#N	76C	2,4-bis(azanyl)-6-[[(1~{s})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
+CC(C)c1cc(c(c(c1)C(C)C)C(=O)O)C(C)C	76D	2,4,6-tri(propan-2-yl)benzoic acid
+c1cc(cc(c1)S(=O)(=O)N2CCOc3ccc(cc3C2)NC(=O)c4c(cccc4Cl)F)C(F)(F)F	76E	2-chloro-6-fluoro-n-[4-[3-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2h-1,4-benzoxazepin-7-yl]benzamide
+CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC	76F	(7e,21r,24s)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9z,12e)-octadeca-9,12-dienoate
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCc3cc4ccncc4s3)F	76G	5-(4-fluorophenyl)-2,3-dihydroxy-n-(4-thieno[2,3-c]pyridin-2-ylbutyl)benzamide
+CCC[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	76H	[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-propyl-azanium
+CCCCC[NH2+][C@@H](CC[C@@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	76J	[(2~{s},5~{s})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-pentyl-azanium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@H](C(=O)O)[NH3+])[NH2+]CCCO)O)O)N	76K	[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(3-oxidanylpropyl)azanium
+C[C@H](C[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	76L	[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-[(2~{r})-2-oxidanylpropyl]azanium
+CC(C)C[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	76M	[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(2-methylpropyl)azanium
+c1ccc(cc1)C[NH2+][C@H](CC[C@@H](C(=O)O)[NH3+])C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	76O	[(2~{r},5~{s})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium
+CN(C)C1CCC(CC1)Oc2c3cc(ccc3ncn2)[N+](=O)[O-]	76P	~{n},~{n}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine
+Cc1cc(cc(c1)c2cnc3ccc(cc3c2CCCCNC)c4cc(cnc4)O)C	76Q	5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CCC(=O)O)C)CCC(=O)O)C	76R	[3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~n~21~,n~22~,n~23~,n~24~)tetra(propanoato)(2-)]manganese
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccncc4)F	76S	5-(4-fluorophenyl)-2,3-dihydroxy-n-[2-(3-pyridin-4-yl-1h-1,2,4-triazol-5-yl)ethyl]benzamide
+c1cc(cc(c1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F)CNc4ccc5c(c4)cn[nH]5	76T	5-(4-fluorophenyl)-2,3-dihydroxy-n-[[3-[(1h-indazol-5-ylamino)methyl]phenyl]methyl]benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)CF)O	76U	(4s)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
+CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC	76V	n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-isoleucine
+c1cc(c(nc1)N)N	76X	pyridine-2,3-diamine
+c1ccc(c(c1)Cn2cccc2C(=O)N)Cl	76Y	1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide
+CC(C)(C#Cc1ccc2c(c1)-c3nc(cn3CCO2)C(=O)N)O	76Z	10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
+c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)NC=O)c5c2C(=O)NC5=O)Cl	770	n-[4-(2-chlorophenyl)-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazol-9-yl]formamide
+COc1cc(c(cc1OCc2ccccc2)NS(=O)(=O)C)CNc3ccc(cc3)C(=N)N	771	4-(4-benzyloxy-2-methanesulfonylamino-5-methoxy-benzylamino)-benzamidine
+c1cc2ccc(nc2c(c1)OP(=O)(O)O)C#N	772	2-cyanoquinolin-8-yl dihydrogen phosphate
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC\C=C\c4cc5ccccc5nc4)C)C)NC(=O)O2)C	773	cethromycin
+c1cc(nc-2c1OCCc3c2scc3)C(=O)N	774	6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide
+CCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3)Cl)C#N)N1	775	2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CCNP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O	777	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-ethyl-phosphonamidic acid
+c1cc(cc(c1)Cl)N2CC[N@@](CC2=O)Cc3cncn3Cc4ccc(cc4)C#N	778	4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1h-imidazol-1-yl)methyl]benzonitrile
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)Nc4ccccc4	779	1-[(1r,3s)-3-{[(2e,4r)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea
+C[C@@H](CN(C)C)Oc1cncc(n1)NC(=O)Nc2cc(ccc2OC)Cl	77A	1-(5-chloro-2-methoxyphenyl)-3-{6-[2-(dimethylamino)-1-methylethoxy]pyrazin-2-yl}urea
+CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OCc2ccccc2)NC(=O)[C@@H]3[C@H](O3)C(=O)NCc4ccccc4	77B	benzyl n-({(2s,3s)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate
+c1cc(cnc1)N2C(=O)c3c(ccc(c3N=C2[C@H](C4CC4)Nc5c(c(nc(n5)N)N)C#N)F)Cl	77C	2,4-diamino-6-{[(s)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile
+CC1(Cc2c(c(sc2C(=O)NC1)Nc3ccc(cc3F)I)C(=O)N[C@@H]4CCCNC4)C	77D	2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-n-[(3r)-piperidin-3-yl]-5,6,7,8-tetrahydro-4h-thieno[2,3-c]azepine-3-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CC[C@H](CCC(=O)O)N)O	77E	(4r)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid
+COc1ccc(cc1)S(=O)(=O)[N@@](CC2CCCCC2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O)O	77F	n-[(2s,3r)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3cnc4c3ncnc4N)F	77G	n-[5-(6-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3cnc4c3nc(nc4)N)F	77H	n-[5-(2-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O	77I	(1s,2r,4s,5r,6s)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
+c1ccc(cc1)C2=CC(=O)NC(=N2)SCCC(=O)NO	77J	n-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide
+Cn1cc(nc1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F	77K	5-(4-fluorophenyl)-2,3-dihydroxy-n-[(1-methylimidazol-4-yl)methyl]benzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCO)F	77L	5-(4-fluorophenyl)-2,3-dihydroxy-n-(2-hydroxyethyl)benzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCSCC(=O)c3ccc(c(c3)O)O)F	77M	n-[2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCOCCn3cnc4c3ncnc4N)F	77N	n-[2-[2-(6-aminopurin-9-yl)ethoxy]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1cc(oc1)CNc2cncc(n2)Cl	77O	6-chloro-n-[(furan-2-yl)methyl]pyrazin-2-amine
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCNC(=O)c3cc(ncn3)O)F	77P	n-[2-[[5-(4-fluorophenyl)-2,3-dihydroxybenzoyl]amino]ethyl]-6-hydroxypyrimidine-4-carboxamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccc4c3ccnc4)F	77Q	5-(4-fluorophenyl)-2,3-dihydroxy-n-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)benzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccnc3)F	77R	5-(4-fluorophenyl)-2,3-dihydroxy-n-(5-imidazol-1-ylpentyl)benzamide
+c1ccc(cc1)Cc2nc([nH]n2)CCNC(=O)c3cc(cc(c3O)O)c4ccc(cc4)F	77S	n-[2-(5-benzyl-1h-1,2,4-triazol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+Cc1c(ccc(c1F)C#N)N2CC[C@]([C@@H]2C)(C)O	77T	2-fluoro-4-[(2s,3s)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile
+Cc1c(ccc(c1Cl)C#N)N2CC[C@@H]([C@@H]2C)O	77U	2-chloro-4-[(2s,3s)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile
+Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5	77V	n~4~-cyclopropyl-n~2~-(3-methyl-1h-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
+C[C@]1(c2ccc(cc2CCN1c3ccc(cc3)F)O)c4ccc(cc4)/C=C/C(=O)O	77W	(2e)-3-{4-[(1r)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid
+CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1	77X	1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
+c1ccc2c(c1)c(c[nH]2)CC(=O)NC/C=C/C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	77Y	 5-(3-(2-(1h-indol-3-yl)acetamide-n-yl)-1-propen-1-yl)-2'-deoxyuridine
+CC(C)CCN1c2ccccc2C(=O)C(C1=O)[C@@H]3Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N	77Z	2-({(3r)-3-[(3s)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2h-1,2,4-benzothiadiazin-7-yl}oxy)acetamide
+c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N	780	3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate
+CCC(=O)Nc1ccc2c(c1)cccc2O	781	n-(5-hydroxynaphthalen-2-yl)propanamide
+CC(C)c1ccc(cc1)N2CCc3cc(ccc3[C@@]2(C)c4ccc(cc4)/C=C/C(=O)O)O	782	(2e)-3-(4-{(1r)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid
+COc1cc(c(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)[O-])c4ccccc4	783	3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-5-methoxy-1,1'-biphenyl-2-olate
+C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ccc(cc4)C(=N)N	784	[amino (4-{(3as,4r,8as,8br)-1,3-dioxo-2- [3-(trimethylammonio) propyl]decahydropyrrolo[3,4-a] pyrrolizin-4-yl}phenyl) methylene]ammonium
+c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])OC(F)(F)F	785	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-4-(trifluoromethoxy)benzenolate
+C[C@H](c1ccc(cc1)n2cccn2)NC(=O)[C@@H]([C@H](C(=O)N3CCC[C@@H]3c4c(sc(n4)NC)S(=O)(=O)C)O)O	786	(2r,3r)-2,3-dihydroxy-4-{(2r)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-n-{(1r)-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}butanamide
+c1ccc(cc1)C(P(=O)(O)O)P(=O)(O)O	787	(phenyl-phosphono-methyl)-phosphonic acid
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCc4ccccc4)c5ccccc5	788	n-benzyl-4-methyl-1-phenyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+c1cc(ccc1C2=C(c3ccc(cc3C2=O)O)Br)O	789	3-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1h-inden-1-one
+CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]2[C@H](O2)C(=O)NCc3ccccc3	78A	n-({(2s,3s)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-proline
+CCOC(=O)c1ccc(cc1)CN	78B	ethyl 4-(aminomethyl)benzoate
+c1ccc(cc1)[C@@H]2CC(=O)N2C(=O)OC3CCCC3	78C	cyclopentyl 2-oxo-4-phenylazetidine-1-carboxylate
+C1C[C@H](NNC1)C(=O)OCC/C=C/C=C/CCCCC(=O)O	78D	(6e,8e)-11-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}undeca-6,8-dienoic acid
+CC(C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H](N2)C(=O)OCC/C=C/C=C/CCCCC(=O)N1)Cc3cccc(c3)O	78E	3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
+C[C@@H]([C@H](/C=C/C=C/CCOC(=O)[C@@H]1CCCNN1)OC)[C@H]([C@@H](C)C(=O)O)OC	78F	(2r,3r,4s,5s,6e,8e)-11-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}-3,5-dimethoxy-2,4-dimethylundeca-6,8-dienoic acid
+COCN1C=C(C(=NC1=O)N)C[NH+](CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)CC[C@@H](C(=O)O)N	78G	2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{s})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium
+c1cc(ccc1C(=O)O)NCC2=NC3=C(NC2)N=C(NC3=O)N	78H	7,8-dihydropteroate
+CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCCCC4	78J	(3r,4r)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one
+COCN1C=C(C(=NC1=O)N)CN(CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	78K	(2~{r})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid
+c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6	78L	~{n}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide
+CCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O	78M	(2s)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate
+CCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O	78N	(2r)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate
+C[C@H](c1cccc(c1)/C=C/CC[C@H]([C@@H](C)C(=O)O)OC)OC(=O)[C@@H]2CCCNN2	78O	(2r,3r,6e)-7-{3-[(1r)-1-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}ethyl]phenyl}-3-methoxy-2-methylhept-6-enoic acid
+C[C@@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N	78P	(2r)-2-(7-carbamoyl-1h-benzimidazol-2-yl)-2-methylpyrrolidinium
+C[C@H]([C@@H](CC/C=C/c1cccc(c1)COC(=O)[C@@H]2CCCNN2)OC)C(=O)O	78Q	(2r,3r,6e)-7-[3-({[(3s)-hexahydropyridazine-3-carbonyl]oxy}methyl)phenyl]-3-methoxy-2-methylhept-6-enoic acid
+C[C@@H]1[C@@H](CC/C=C/c2cccc(c2)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc4cccc(c4)O)OC	78R	11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone
+CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C	78S	(2r)-3-dimethoxyphosphoryloxy-2-[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid
+OP(=O)[O-]	78T	oxidanylphosphinate
+C[C@@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N	78U	(betas)-beta-methyl-l-tryptophan
+COCN1C=CC(=NC1=O)NCCNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	78V	4-[2-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-one
+CC(=O)CS/C(=N/c1ccc(cc1)Cl)/NC(=O)c2c(cccc2Cl)F	78W	2-oxidanylidenepropyl ~{n}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{n}'-(4-chlorophenyl)carbamimidothioate
+C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)Cc4cccc(c4)O)C(C)C)C)OC	78X	11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone
+Cc1c(nn(n1)c2ccccc2)C(=O)N	78Y	5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide
+Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(nc3)C(F)(F)F	78Z	2-(1,1-difluoroethyl)-5-methyl-n-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+c1cc2c(c(c1)OP(=O)(O)O)NCCC2	790	1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate
+c1ccc(cc1)C(C(=O)O)C(=O)O	791	2-phenylmalonic acid
+CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc2c[nH]c3c2cc(cc3)C)C(=O)O	792	n-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-d-tryptophan
+C[C@H](c1ccccc1)NC2=C(C(=O)C2=O)Nc3ccncc3	793	3-{[(1r)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
+c1ccc2c(c1)cccc2N(c3ccccc3C(=O)O)C(=O)C(=O)O	794	2-[(carboxycarbonyl)(1-naphthyl)amino]benzoic acid
+c1cc(cnc1)c2nc(cs2)C=O	795	2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde
+CNc1nccc(n1)c2ccc(s2)C(=O)N[C@@H](Cc3ccc(cc3Cl)Cl)CN	796	n-[(1s)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
+c1cc(cc2c1cc(cc2)O)c3c4ccc(cc4on3)O	797	3-(6-hydroxy-naphthalen-2-yl)-benzo[d]isooxazol-6-ol
+c1cc(ccc1c2ccsc2)C(=O)c3ccc(cc3)OC[C@H]4CCCN4	798	{4-[(2r)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone
+Cc1nc(n(n1)C(C)C)c2cn3c(n2)-c4ccc(cc4OCC3)c5cnn(c5)C(C)(C)C(=O)N	799	2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1h-pyrazol-1-yl)propanamide
+CS(=O)(=O)c1ccc(c2c1[C@@H](C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N	79A	3-{[(1s)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1h-inden-4-yl]oxy}-5-fluorobenzonitrile
+c1ccc2c(c1)c(nc(n2)c3cccnc3)N[C@@H]4Cc5ccc(cc5C4)C#CCCCCCCCCC(=O)O	79B	11-[(2~{r})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{h}-inden-5-yl]undec-10-ynoic acid
+CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5	79C	4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+CC[C@@H]1c2c(ncn2-c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C)C#N	79D	4-{[(6r)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	79E	jc96
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NP(=O)(CNC(=O)OCc1ccccc1)O	79F	(2~{s})-4-methyl-2-[[(2~{s})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid
+CC(C)CN(C[C@@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@H](CCO3)N)O)S(=O)(=O)c4ccc(cc4)OC	79G	(4s)-4-amino-n-[(2s,3s)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3,4-dihydro-2h-chromene-6-carboxamide
+CC(C)C1C(=Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCN(C)C	79H	5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+[H]/N=C/[C@H](C[C@@H]1CCNC1=O)N	79I	3-[(2s)-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](CO)O)O)(C(=O)O)O)OC(=O)C	79J	4-o-acetyl-5-acetamido-3,5-dideoxy-l-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3cc[n+](cc3)[O-])Cl	79K	vercirnon
+C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3)O	79L	(2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{r})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O	79M	(2r)-2,3-dihydroxypropyl (7z)-hexadec-7-enoate
+CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O	79N	(2s)-2,3-dihydroxypropyl (7z)-hexadec-7-enoate
+c1ccc(c(c1)C2=Nc3c4cc(ccc4oc3C(=O)N2)Br)Cl	79O	8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3h)-one
+C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@@H](C)NC(=O)CN4CCOCC4)O	79P	(2~{s})-3-(1~{h}-indol-3-yl)-~{n}-[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{r})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6	79Q	3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{n}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide
+C[C@@H]1CCCC[C@@H]1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)/C=C(/C#N)\C(=O)N(C)C	79R	(~{z})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide
+C[C@@H]1CCCC[C@@H]1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)C[C@@H](C#N)C(=O)N(C)C	79S	(2~{s})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide
+CN(C)C(=O)C(=Cc1ccc(o1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)C#N	79T	2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{n},~{n}-dimethyl-prop-2-enamide
+CN(C)C(=O)c1ccc2c(c1)c(nn2c3ccc(cc3)C(=O)O)Oc4c(cccc4Cl)C(F)(F)F	79U	4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid
+c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F	79V	(2r,3s,4r)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile
+c1cc(cc(c1)[C@@H]2CC(=O)CS2(=O)=O)C=O	79W	3-[(2s)-1,1-dioxido-4-oxotetrahydrothiophen-2-yl]benzaldehyde
+COc1cc-2c(cc1OC)C(=O)n3c2cc4c3ccc(c4)O	79X	2-hydroxy-8,9-dimethoxy-6h-isoindolo[2,1-a]indol-6-one
+CS(=O)(=O)N1CCO[C@@H](C1)c2csc(n2)c3ccccc3NC(=O)c4[nH]ccn4	79Y	n-(2-{4-[(2s)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}phenyl)-1h-imidazole-2-carboxamide
+CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(CCO)S(=O)(=O)C)C4CC4	79Z	5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-n-methyl-1-benzofuran-3-carboxamide
+CCNc1c(ccc(n1)c2ccc(c(c2)F)NC(=O)NCc3ccc([n+](c3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N)C(=O)NCCN5CCCCC5	7A0	[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CCNc1c(ccc(n1)c2ccc(c(c2)F)NC(=O)NCc3ccc(nc3)N)C(=O)NCCN4CCCCC4	7A1	6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{n}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
+C(C(=O)O)[C@]([C@H](C(=O)O)O)(C(=O)O)O	7A2	3-c-carboxy-2-deoxy-l-threo-pentaric acid
+C(C(=O)O)[C@]([C@@H](C(=O)O)O)(C(=O)O)O	7A3	3-c-carboxy-2-deoxy-d-erythro-pentaric acid
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)C(C)C)F)CC(=O)O	7A4	[(1z)-5-fluoro-2-methyl-1-{[4-(propan-2-yl)phenyl]methylidene}-1h-inden-3-yl]acetic acid
+C[C@@H]1COCCN1C2=CC(=O)N3CC[C@H](N(C3=N2)CC(=O)C(C)C)C(F)(F)F	7A5	(8s)-2-[(3r)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one
+CCCSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2ncnc3N)O)O	7A6	(2s,3s,4r,5s)-2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(propylsulfanyl)methyl]pyrrolidine-3,4-diol
+[H]/N=C(\c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC	7A7	methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
+CC1=CC[C@@H](CC1)N(C)C	7A8	(1r)-dimethyl-(4-methyl-cyclohex-3-enyl)-amine
+c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5	7A9	palonosetron
+COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl	7AA	methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/2\CC/C(=C\C=O)/C=C2)/C	7AB	(2e)-{(4e)-4-[(3e)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene}acetaldehyde
+Cn1cnc2c1c(c(c(c2)C#N)c3ccccc3Cl)CN	7AC	7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1h-benzimidazole-5-carbonitrile
+CN(C)CCCNC(=O)c1cccc2c1nc3ccccc3c2N	7AD	9-amino-n-[3-(dimethylamino)propyl]acridine-4-carboxamide
+CS(=O)(=O)N1CCO[C@@H](C1)c2csc(n2)c3cc(ccc3NC(=O)c4[nH]ccn4)N5CCOCC5	7AE	n-[2-{4-[(2s)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}-4-(morpholin-4-yl)phenyl]-1h-imidazole-2-carboxamide
+C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C	7AF	~{n}-[(2~{s})-1-[[(2~{s})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+C[C@@H](Cn1cc(nn1)CNC(=O)CCCC(=O)Nc2cccc(c2)C(=O)N)c3ccccc3	7AG	~{n}'-(3-aminocarbonylphenyl)-~{n}-[[1-[(2~{r})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide
+c1cc(ccc1CC(=O)Nc2ccc3c(c2)c(c[nH]3)C4CCNCC4)F	7AH	2-(4-fluorophenyl)-n-(3-piperidin-4-yl-1h-indol-5-yl)ethanamide
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O)O	7AI	(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CN1CCN(CC1)CCn2cc(c3c2cc(c(c3)OC)OC)c4cc5c(ccnc5[nH]4)Cl	7AJ	4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1h-indol-3-yl}-1h-pyrrolo[2,3-b]pyridine
+C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)N)O)O)O	7AK	(+)-discodermolide
+C[C@]12C[C@H](CC([C@@H]1C[C@@H](C(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)O)(C)C)Cl	7AL	chlorolissoclimide
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)C(=O)NP(=O)(O)O	7AM	[[(2~{s})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid
+CC(=O)NCCc1c[nH]c2c1cccc2	7AN	~{n}-[2-(1~{h}-indol-3-yl)ethyl]ethanamide
+C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])O)O)O	7AO	[(3~{z},5~{s},6~{s},7~{s},8~{r},9~{s},11~{z},13~{s},14~{s},15~{s},16~{z},18~{s})-19-[(2~{s},3~{r},4~{s},5~{r})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] ~{n}-[3-[(3-azidophenyl)carbonylamino]propyl]carbamate
+C[C@@H]([C@H](c1cnc2c(n1)c(nc(n2)N)N)O)O	7AP	(1s,2s)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol
+c1ccc(cc1)C[C@H](C(=O)O)N2C(=O)c3cc(c(cc3C2=O)Cl)Cl	7AR	(2r)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-phenylpropanoic acid
+[H]/N=C\C1(CC1)NC(=O)[C@H](CC(C)(C)F)N[C@@H](c2ccc(cc2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F	7AS	4-fluoro-n-{1-[(z)-iminomethyl]cyclopropyl}-n~2~-{(1s)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl }-l-leucinamide
+c1c([nH]nn1)c2c3c(ncnc3n(n2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N	7AT	1-(5-o-phosphono-beta-d-ribofuranosyl)-3-(1h-1,2,3-triazol-5-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cn1c(c(c2c1nccc2Cl)c3ccc(cc3)CO)c4ccc(cc4)N5CCNCC5	7AU	(4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol
+CNc1nc(cs1)c2ccc3c(c2)CCN3C(=O)c4ccccc4OCc5ccc(cc5)Cl	7AV	{2-[(4-chlorophenyl)methoxy]phenyl}{5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydro-1h-indol-1-yl}methanone
+CCC[C@@H](CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C)NC(=O)OCc3cncs3	7AW	n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2r,5s)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-l-valinamide
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3ccc4ccc(cc4c3)C#N	7AX	7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy)phenoxy)-2-naphthonitrile
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)Cl)C#N	7AY	5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)O)P(=O)(O)O	7AZ	phosphonato-calix[6]arene
+C(CCN)C[C@@H](C(=O)O)NS(=O)(=O)N	7B0	(2~{s})-6-azanyl-2-(sulfamoylamino)hexanoic acid
+c1ccc(cc1)C(=O)Nc2nc3cc(ccc3o2)S(=O)(=O)N	7B1	n-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide
+Cc1c2cnn3c(c2c(n1C)C[n+]4cc5c(n(c(c5c(n4)Cl)C)C)C)nnc3c6c(n(c(c6C=O)C)C)C	7B2	4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde
+Cc1c2cnnc(c2c(n1C)C)OC	7B3	4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine
+Cc1c2cnnc(c2c(n1C)C)Cl	7B4	4-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine
+CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(OC)OC)C(=O)OC)/C)/C)C	7B5	methyl (2r)-3-dimethoxyphosphoryloxy-2-[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate
+C1CCC(CC1)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)NC(=O)N[C@@H](CCCCN)C(=O)O	7B6	(2~{s})-6-azanyl-2-[[(2~{r})-1-[[(1~{r},2~{s},4~{s})-2-bicyclo[2.2.1]heptanyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid
+COc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N	7B7	1-(4-aminobenzyl)-3-{2-[(2r)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea
+c1cc(cc(c1)NC(=O)CCC(=O)NCCc2cn(nn2)CCNS(=O)(=O)c3cccc(c3)C(=O)O)C(=O)N	7B8	3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CNC(=CC2=O)CCCO)O	7B9	[5-hydroxy-4-({[6-(3-hydroxypropyl)-4-oxo-1,4-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+COc1ccc(cc1O)/C=C\c2cc(c(c(c2)OC)OC)OC	7BA	combretastatin a4
+C1CC(CCC1C(=O)O)OC(=O)N(CCCCC(=O)O)/C(=C/S)/N	7BB	trans-4-({[(e)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid
+C=CC(=O)OCCC(=O)O	7BC	3-(acryloyloxy)propanoic acid
+c1ccc2c(c1)-c3ccccc3C2=NOCCC(=O)O	7BD	3-[(9h-fluoren-9-ylideneamino)oxy]propanoic acid
+CC1(CCC(c2c1cc3c(c2)O[C@@]4(CCc5cc(ccc5O4)C(=O)O)CC3)(C)C)C	7BE	(2~{r})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid
+c1cc2cnccc2c(c1)OC[C@H]3CCCN3c4ccnc5n4ncn5	7BF	5-[[(2~{r})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline
+c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F	7BG	2-amino-7-benzyl-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-6-oxo-6,9-dihydro-1h-purin-7-ium
+Cc1ccccc1OC[C@H]2CCCN2c3c4c(nc[nH]4)ncn3	7BH	6-[(2~{r})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{h}-purine
+c1cc(ccc1OCCN2C(=O)C3(CCCCC3)NC2=O)F	7BJ	3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
+C[C@@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3	7BK	2-fluoranyl-5-[2-[(4~{r})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
+C/C=C/C/C(=C\[C@H]1C/C=C/C=C/C[C@@H](/C=C(/[C@H](C/C=C/[C@H](CC(=O)O1)O)OC)\C)C)/C	7BL	(4s,5e,8s,9e,11s,13e,15e,18r)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1z,4e)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O	7BN	(2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O	7BO	(2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+CC(C)(C)[C@@H]1CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F	7BP	5-[2-[(4~{s})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O	7BQ	(2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[(2~{r})-3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+CC1(CCS(=O)(=O)CC1)[C@@H]2CC(=O)N(C2)CCOc3ccc(c(c3)C#N)F	7BR	2-fluoranyl-5-[2-[(4~{s})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
+C/C=C/C/C(=C\[C@H]1C/C=C/C=C/C[C@@H](/C=C(/[C@H](C/C=C/[C@H](CC(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC)O)OC)\C)C)/C	7BS	(4s,5e,8s,9e,11s,13e,15e,18r)-8-methoxy-9,11-dimethyl-18-[(1z,4e)-2-methylhexa-1,4-dien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-o-methyl-beta-d-glucopyranoside
+COc1cc(cc(c1OC)OC)/C=C\C(=O)NCC[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	7BT	(~{z})-~{n}-[2-[(2~{r},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
+c1cc2n3c1C(=C4C=CC5=[N]4[Zn]36N7C(=C5C(F)(F)F)C=CC7=C(C8=[N]6C(=C2C(F)(F)F)C=C8)C(F)(F)F)C(F)(F)F	7BU	[5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]zinc
+c1cc2c(cc1N3CCCCCC3)sc(n2)C4=N[C@H](CS4)C(=O)O	7BV	(4s)-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+CC1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)C	7BW	5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile
+c1cc(cc(c1)S(=O)(=O)NC2CC2)C#N	7BX	3-cyano-~{n}-cyclopropyl-benzenesulfonamide
+CCC(=O)NCCCNc1c2cc(c(cc2nc(n1)N3CCCC3)OC)OC	7BY	n-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide
+BN(C)C	7BZ	n,n-dimethylboranamine
+c1cc(cc(c1)Cl)[C@H](CCCCCN)OC(=O)O	7C0	(1s)-6-amino-1-(3-chlorophenyl)hexyl hydrogen carbonate
+[H]/N=C(\c1ccc(cc1)N2C(=O)c3cccc(c3C2=O)C)/N	7C1	4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzenecarboximidamide
+CCCCC[C@H](CCCCCN)OC(=O)O	7C2	(6r)-1-aminoundecan-6-yl hydrogen carbonate
+C(CCN)CC(=O)C(=O)O	7C3	6-azanyl-2-oxidanylidene-hexanoic acid
+CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C)Cc4ccc(cc4)OC)C)CC(C)C)C)C(C)C)O	7C4	(2~{s})-~{n}-[(2~{r})-1-[[(3~{s},6~{s},8~{s},12~{s},13~{r},16~{s},17~{r},20~{s},23~{s})-13-[(2~{s})-butan-2-yl]-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-~{n}-methyl-1-[(2~{s})-2-oxidanylpropanoyl]pyrrolidine-2-carboxamide
+c1c(nc2c(n1)NC(=NC2=O)N)C(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	7C5	5'-o-(2-amino-4-oxo-1,4-dihydropteridine-6-carbonyl)adenosine
+C[C@H]1[C@@H]2[C@H](CN1S(=O)(=O)c3ccc4c(c3)OCO4)c5cnccc5N(C2=O)C	7C6	(3s,3as,9bs)-2-[(2h-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4h-pyrrolo[3,4-c][1,6]naphthyridin-4-one
+CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](COC)C(=O)NCc1cccc2c1cccc2)NC(=O)CCc3ccccc3	7C7	n,n-diethyl-n~2~-(3-phenylpropanoyl)-l-asparaginyl-o-methyl-n-[(naphthalen-1-yl)methyl]-l-serinamide
+C[C@H](CCCN1CCN(CC1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C	7C8	[3,5-bis(chloranyl)phenyl]methyl 4-[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentyl]piperazine-1-carboxylate
+COC[C@@H](C(=O)O)N	7C9	o-methyl-l-serine
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3c(c(cc(c3C2=O)O)O)CCC(C)C)c4ccc(cc4)OC)O)O)O	7CA	5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside
+c1cc2cnccc2c(c1)S(=O)(=O)N	7CB	isoquinoline-5-sulfonamide
+CCN(CC)C(=O)C[C@@H](C(=O)O)N	7CC	n,n-diethyl-l-asparagine
+c1ccc2c(c1)cccc2CN	7CD	1-(naphthalen-1-yl)methanamine
+COc1ccccc1Nc2cc3c(cc([nH]3)c4cnco4)cn2	7CE	n-(2-methoxyphenyl)-2-(1,3-oxazol-5-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
+C[C@H](CCC(=O)N[C@@H]1CCN(C1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C	7CF	[3,5-bis(chloranyl)phenyl]methyl (3~{r})-3-[[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pyrrolidine-1-carboxylate
+c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cc(ccc3Br)Br	7CG	2,5-dibromo-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O	7CH	(2s,4ar,6r,7r,7as)-6-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
+c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O)C#N	7CI	7-cyano-7-deazainosine
+c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cccc(c3)F	7CJ	3-fluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
+c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)c([nH]c4C(=O)O)O	7CK	7-carboxy-5-hydroxy-12,13-dihydro-6h-indolo[2,3-a]pyrrolo[3,4-c]carbazole
+CCCCCCl	7CL	1-chloropentane
+c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3ccc(c(c3)Cl)F	7CM	3-chloro-4-fluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
+c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br	7CN	3-bromo-n-[3-(2-oxo-2,3-dihydro-1h-pyrrol-1-yl)phenyl]benzene-1-sulfonamide
+c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F	7CO	2,6-difluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
+Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C	7CP	(4r)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
+COc1ccc(cc1S(Nc2cccc(c2)N3CCCC3=O)(O)O)Br	7CQ	5-bromo-2-methoxy-n-(3-(2-oxopyrrolidin-1-yl)phenyl)benzenesulfonamide
+c1cc2c(cc1[C@@H](CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)O)OC(=O)N2	7CR	[3,5-bis(chloranyl)phenyl]methyl 4-[(3~{r})-3-oxidanyl-3-(2-oxidanylidene-3~{h}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
+CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccn4	7CS	(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1h-pyrrolo[2,3-b]pyridine-3-carboxylate
+CNS(=O)(=O)c1cccc2c1ccnc2	7CT	~{n}-methylisoquinoline-5-sulfonamide
+C[C@@H](CNc1cnc(c(n1)c2cc3ccccc3[nH]2)C(=O)N)N	7CU	5-{[(2s)-2-aminopropyl]amino}-3-(1h-indol-2-yl)pyrazine-2-carboxamide
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)OC)OC)O	7CV	6-deoxy-2,3-di-o-methyl-alpha-l-mannopyranose
+C[C@H](CCC(=O)NCCNC(=O)OCc1cc(cc(c1)Cl)Cl)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C	7CW	[3,5-bis(chloranyl)phenyl]methyl ~{n}-[2-[[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO)N	7CY	(1r,2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
+C1=CC=C(C(=S)C=C1)O	7CZ	2-hydroxycyclohepta-2,4,6-triene-1-thione
+c1c(cc(cc1F)F)O[C@H]2[C@H]3C[C@]3([C@@H]([C@@H]([C@H]2O)O)O)CO	7D0	(1~{r},2~{s},3~{s},4~{r},5~{s},6~{s})-5-[3,5-bis(fluoranyl)phenoxy]-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol
+C1CO[C@@H]([C@H]([C@@H]1O)O)CO	7D1	1,5-anhydro-2-deoxy-d-arabino-hexitol
+C1[C@H]2[C@@]1([C@@H]([C@@H]([C@H]([C@H]2O)O)O)O)CO	7D2	(1~{r},2~{s},3~{s},4~{s},5~{s},6~{s})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)CO)N	7D3	[(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CO)N	7D4	[[(2~{s},3~{r},4~{r})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)O)CO)N	7D5	[(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate
+CNC(=O)c1ccc2cc(ccc2c1)[C@]3(CCn4c3cnc4)O	7D6	(s)-orteronel
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)CO)CO)N	7D7	[(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)oxetane-2,3-diyl]dimethanol
+C1[C@H]2C[C@]2([C@@H]([C@@H]([C@H]1F)O)O)CO	7D8	(1~{r},2~{s},3~{s},4~{s},6~{r})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)S(=O)(=O)O)(C)C	7D9	(16~{r})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{s},3~{s},4~{r})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid
+c1cn(c2c1c(ncn2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	7DA	7-deaza-2'-deoxyadenosine-5'-monophosphate
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O	7DB	(2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[(2~{s})-3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)/N=N/c2ccc(cc2)C(=O)N[C@H](C=O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)N	7DC	4-[(~{e})-[4-[[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{n}-[(2~{s})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	7DD	7-deazaadenosine-5'-diphosphate
+CCOC(=O)c1c(nn(c1C)c2cccc(c2)[N+](=O)[O-])C	7DE	3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester
+CC1(C[C@H]2C[C@H]([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C	7DF	dihydropentalenolactone f
+C1C=NC2=C1C(=O)NC(=N2)N	7DG	7-deazaguanine
+C(C=CC(=O)C(=O)O)O	7DH	(3e)-5-hydroxy-2-oxopent-3-enoic acid
+[H]/N=C/[C@H](CCC(=O)NCC)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F	7DI	pf-07321332, bound form
+C[C@@](CNC(=O)c1cnc2n1nc(cc2NC)Nc3c(c(cc(c3F)F)F)F)(CO)O	7DJ	n-[(2r)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
+COC(=O)Nc1ccc-2c(c1)NC(=O)CCCCC[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	7DK	methyl ((15s)-15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8,17,19-triazatricyclo[14.2.1.0~2,7~]n onadeca-1(18),2,4,6,16(19)-pentaen-5-yl)carbamate
+COC(=O)Nc1ccc-2c(c1)CCCCCCC[C@@H](c3[nH]c(c2n3)Cl)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	7DL	((15s)-18-chloro- 15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2- propenoyl)amino)-17,19-diazatricyclo[14.2.1.0~2,7~]nonadeca-1(18),2,4,6,16(19)-pentaen-5-yl)carbamate
+c1cc2c(cc1C(=O)O)C(=CC(=O)N2)O	7DM	4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid
+Cc1cccc2c1nc(cc2)N3CCC(CC3)C(=O)N[C@H]4CCC[C@H]4CCc5ccccc5C(=O)O	7DN	2-{2-[(1s,2s)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid
+CC(=O)NCCc1ccc(c(c1)O)O	7DP	~{n}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide
+CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N	7DQ	6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccccc3	7DR	6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
+COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	7DS	methyl ((12e,15s)-15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8,17,19-triazatricyclo[14.2.1.0~2, 7~]nonadeca-1(18),2,4,6,12,16(19)-hexaen-5-yl)carbamate
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	7DT	7-deazaadenosine-5'-triphosphate
+[H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)/N=N/c2ccc(cc2)CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)N	7DU	(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{n}-[(2~{s})-1-[[4-[(~{e})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide
+Cc1cc(ccc1O)O	7DV	2-methylbenzene-1,4-diol
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCc2ccc(cc2)F)O)O	7DW	11-(4-fluorophenyl)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide
+c1ccc(cc1)c2csc(n2)c3ccc4ccc(nc4c3)NC(=O)C[C@@H](C5CCCCC5)C(=O)O	7DX	(2~{s})-2-cyclohexyl-4-oxidanylidene-4-[[7-(4-phenyl-1,3-thiazol-2-yl)quinolin-2-yl]amino]butanoic acid
+C[C@@H]([C@@H](Cc1ccc(cc1)Cl)c2cccc(c2)C#N)NC(=O)C(C)(C)Oc3ccc(cn3)C(F)(F)F	7DY	n-[(2s,3s)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide
+C[C@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C	7DZ	(7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5h)-one
+CC1=C[C@@H]2[C@](CC1)([C@]3(CC[C@H]([C@@]34CO4)O2)C)C	7E0	trichothecene
+c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CCCCC(=O)O)c5ccc(cc5)O	7E1	6-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid
+c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCC(=O)O)c5ccc(cc5)O	7E3	5-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid
+c1ccc2c(c1)c(nc(n2)c3cccnc3)N[C@H]4Cc5ccc(cc5C4)C#CCCCCCCCCC(=O)O	7E4	11-[(2~{s})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{h}-inden-5-yl]undec-10-ynoic acid
+c1ccc(c(c1)C(=O)O)O[C@@H]2C[C@H](NC2)C(=O)O	7E5	(2~{s},4~{r})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid
+Cc1nnc2n1nc(cc2)c3cnn(c3Oc4ccccc4)C	7E7	3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
+CCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O	7E8	(2r)-2,3-dihydroxypropyl (7z)-tetradec-7-enoate
+CCCCCC/C=C\CCCCCC(=O)OC(CO)CO	7E9	1,3-dihydroxypropan-2-yl (z)-tetradec-7-enoate
+Cc1nnc2n1nc(cc2)c3ccc(c(c3)OC)OC	7EA	6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
+CN(C)CCOc1ccc(cc1)C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O	7EB	4-bromophenyl (1s,2r,4s)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCN6CCCCC6)O	7EC	4-bromophenyl (1s,2r,4s)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+CC[C@H](c1ccc(cc1)O)[C@H](c2ccc(cc2)O)C(=O)OCCCCCCCCOC(=O)C(c3ccc(cc3)O)C(CC)c4ccc(cc4)O	7ED	8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2r,3s)-2,3-bis(4-hydroxyphenyl)pentanoate
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5ccc(cc5)N)O)O	7EE	(14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol
+CC(=CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O)C	7EF	4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)/C=N/O)O)O	7EG	2~3~-[(e)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol
+Cn1c2c(cc(cn2)c3ccccc3)nc1N	7EH	3-methyl-6-phenyl-3h-imidazo[4,5-b]pyridin-2-amine
+COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O	7EI	(1r,2s,4r)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3ccc(n3CCCCOC)c4ccccc4	7EJ	1-(4-methoxybutyl)-n-(2-methylpropyl)-n-[(3s,5r)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1h-pyrrole-2-carboxamide
+CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3c(n(nn3)c4ccccc4)CCCCOC	7EK	5-(4-methoxybutyl)-n-(2-methylpropyl)-n-[(3s,5r)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1h-1,2,3-triazole-4-carboxamide
+c1cc(ccc1c2ccc(c(c2Cl)O)/C=N/O)O	7EL	2-chloro-4-[(e)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol
+c1cc(ccc1c2cc(sc2c3ccc(cc3)O)c4ccc(cc4)O)O	7EM	4,4',4''-(thiene-2,3,5-triyl)triphenol
+c1cc(c(cc1O)Cl)C2=C(S(=O)C=C2)c3ccc(cc3Cl)O	7EN	(1s)-2,3-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one
+c1cc(c(cc1O)Cl)C2=CC=C(S2=O)c3ccc(cc3Cl)O	7EO	2,5-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C	7EP	(2r,4s)-2-[(1r)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1cc(c(cc1O)F)C2=CC=C(S2=O)c3ccc(cc3F)O	7EQ	2,5-bis(2-fluoro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one
+c1cc(c(cc1O)F)C2=CS(=O)(=O)C=C2c3ccc(cc3F)O	7ER	3,4-bis(2-fluoro-4-hydroxyphenyl)-1h-1lambda~6~-thiophene-1,1-dione
+c1cc(c(cc1O)F)c2ccsc2c3ccc(cc3F)O	7ES	4,4'-(thiene-2,3-diyl)bis(3-fluorophenol)
+c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O	7ET	3-fluorophenyl (1s,2r,4s)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1cc(ccc1C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCC(=O)O)O	7EV	5-{4-[(1s,4s,5r)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid
+C1CC[C@H]2[C@@H](C1)O2	7EX	(1r,6s)-7-oxabicyclo[4.1.0]heptane
+Cc1ccc(cc1)c2csc3c2c(ncn3)SCCC(=O)O	7EY	3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid
+CC/C=C\CC([C@@H](C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O)O	7EZ	(4z,7z,10z,13z,16r,17r,19z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)/C=C/S(=O)(=O)C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)CN5CCOCC5	7F1	(2s)-n-[(e,2s)-1-(1h-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2s)-3-(1h-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide
+CCCCCC[C@H](CO)O	7F2	(2r)-octane-1,2-diol
+c1cc2c(c(c1)F)C(=N[C@@]2(c3ccc(c(c3)c4cncnc4)F)c5ccnc(c5)C(F)(F)F)N	7F3	(1s)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1h-isoindol-3-amine
+C1CCNC(=O)[C@@H](C1)N	7F4	(3~{r})-3-azanylazepan-2-one
+Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F	7F5	3-(3-fluorophenyl)-n-{2-[2-(5-methyl-1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
+c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O	7F6	(1r,2r)-1,2-diphenylethane-1,2-diol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2CCCCNC2=O)O	7F7	[6-methyl-5-oxidanyl-4-[(~{e})-[(3~{r})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
+CCNC(=O)CN(c1ccc(cc1)OC)C(=O)c2ccc(cc2O)O	7F9	~{n}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{n}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide
+CCCCCC=CC/C=C\C/C=C\CCCCC[P@@](=O)(OC)F	7FA	methyl (r)-(6z,9z,12z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
+CCCC[C@H](CO)O	7FB	(2r)-hexane-1,2-diol
+c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Cl)Cl)O)C(=O)O	7FC	4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid
+CCOC(=O)C=Cc1ccc(cc1)C(=C2CCCCC2)c3ccc(cc3)O	7FD	ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate
+Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CN4CCCC4)C(=O)c5ccc(cc5O)O)Cl	7FE	~{n}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)-~{n}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
+COC(=O)N1CCCc2c1ccc(c2)N	7FF	methyl 6-azanyl-3,4-dihydro-2h-quinoline-1-carboxylate
+CCOC(=O)C=Cc1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O	7FG	ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate
+C1=CC(=S)N(C=C1C(F)(F)F)O	7FH	1-hydroxy-5-(trifluoromethyl)pyridine-2(1h)-thione
+c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2	7FJ	4,4'-[(1,3-dihydro-2h-inden-2-ylidene)methylene]diphenol
+CN1CC/C=C/CCCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O	7FK	15-chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydrobenz[c][1]azacyclohexadecine-1,13(2h,14h)-dione
+c1cc(ccc1C(=C2CCCCCC2)c3ccc(cc3)O)O	7FL	4,4'-(cycloheptylidenemethylene)diphenol
+CS(=O)(=O)N1CCCCC(=O)N2CCc3c2ccc(c3)Nc4ncc(c(n4)NCc5c1nccc5)C(F)(F)F	7FM	25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12h-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6h)-one
+c1cc(oc1C(=O)O)C(=O)O	7FN	2,5 furan dicarboxylic acid
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)I)c5ccc(cc5)O)O	7FO	4-iodophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+CC(=O)Nc1ccc(cc1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	7FP	4-(acetylamino)phenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccc(cc5)OC)O	7FQ	(9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol
+CC(C)c1ccc(cc1)/N=C\2/CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C	7FR	(9beta,13alpha,17z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol
+CC(C)c1ccc(cc1)N[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C	7FS	(9beta,13alpha,17beta)-17-{[4-(propan-2-yl)phenyl]amino}estra-1(10),2,4-trien-3-ol
+Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)Cc4ccccc4	7FT	4-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-5-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine
+c1cc2c(cc1C(=O)NN)sc(n2)NN	7FU	2-hydrazino-1,3-benzothiazole-6-carbohydrazide
+Cc1cc2ccccc2nc1c3ccc4c(c3)CC[C@@H](N4C(=O)c5ccc(cc5O)O)C	7FV	[2,4-bis(oxidanyl)phenyl]-[(2~{s})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{h}-quinolin-1-yl]methanone
+CN(Cc1ccc2c(c1)nccn2)C(=O)c3ccc(cc3)N(Cc4ccccc4)C(=O)c5ccc(cc5O)O	7FW	~{n}-[4-[methyl(quinoxalin-6-ylmethyl)carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{n}-(phenylmethyl)benzamide
+c1cc(c(cc1O)O)C(=O)N2CC[C@H](n3c2ccn3)C(F)(F)F	7FX	[2,4-bis(oxidanyl)phenyl]-[(7~{s})-7-(trifluoromethyl)-6,7-dihydro-5~{h}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC3=CCC(=O)C(=O)C3	7FY	~{n}-[4,5-bis(oxidanylidene)cyclohexen-1-yl]-4-phenyl-benzenesulfonamide
+Cc1cc(cc(c1O)C)c2ccc3c(c2)CC[C@@H]3O	7FZ	(1s)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1h-inden-1-ol
+C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]2O)c3ccc(cc3)O	7G0	(1s,3as,5s,7as)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol
+C[C@]12CC[C@@]3(CCc4c3ccc(c4)O)C[C@@H]1CC[C@@H]2O	7G1	(1s,1's,3a's,7a's)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol
+c1cc(c(cc1c2ccc(c(c2)F)O)/C=N/O)O	7G2	3-fluoro-3'-[(e)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol
+c1cc(ccc1c2ccc(c(c2)/C=N\O)O)O	7G3	3-[(z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol
+C12C3[Ru]1456789(C2C4C53)C1C6C7C8C91	7G4	ruthenocene
+c1cc(ccc1C2=C(CS(=O)(=O)C2)c3ccc(cc3)O)O	7G5	3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1h-1lambda~6~-thiophene-1,1-dione
+CN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7	7G6	6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C6CCN(CC6)C)C)CO	7G7	6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one
+CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)Oc4ccnc(c4)C(=O)NC)F	7G8	4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{n}-methyl-pyridine-2-carboxamide
+CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)OCCOC)F	7G9	~{n}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide
+C[C@@H](CC(C)C)C(=O)O	7GA	2,4-dimethylpentanal
+C/C=C/C(=O)N1CC[C@H](C1)N2c3c(c(ncn3)N)N(C2=O)c4ccc(cc4)Oc5ccccc5	7GB	6-azanyl-9-[(3~{r})-1-[(~{e})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one
+Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nccs2	7GC	4-methyl-n-(thiazol-2-ylcarbamoyl)benzenesulfonamide
+c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N	7GD	7-benzyl-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+c1ccc2c(c1)c[n+]([nH]2)[Ru-](Cl)(Cl)(Cl)(Cl)Cl	7GE	pentakis(chloranyl)-(1~{h}-indazol-2-ium-2-yl)ruthenium(1-)
+COC(=O)/C(=C\1/N(C(=O)CS1)c2ccc(cc2)Br)/CN	7GF	methyl (2z)-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate
+CCN(CC)/C=C\c1c2c(nc[nH]2)nc(n1)Nc3ccccc3	7GG	6-[(~{z})-2-(diethylamino)ethenyl]-~{n}-phenyl-7~{h}-purin-2-amine
+C[C@H]1CNC(=O)c2cnn3c2nc(cc3)N[C@@H](c4cc(ccc4O1)F)C	7GI	repotrectinib
+CN(C)C(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	7GJ	3-[[6-(cyclohexylmethoxy)-7~{h}-purin-2-yl]amino]-~{n},~{n}-dimethyl-benzamide
+c1cc(ccc1c2cc3c(ccnc3[nH]2)C#N)N4CCNCC4	7GK	2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile
+Cc1cc(cc(c1)Nc2cc(c3ncc(n3n2)C(=O)N)NC)C	7GL	6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
+C[C@]1(CCN(C1)CC2CC2)Oc3ccc(cc3)SC	7GM	(3r)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine
+CCOC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	7GP	n-[ethoxy(oxo)acetyl]-beta-d-glucopyranosylamine
+Cc1ncn(n1)c2ccc(c(c2)Cl)C(=O)N[C@@H]3[C@H]4CC[C@@H]3N(C4)c5c6c(c(cn5)Cl)c(no6)N	7GQ	n-[(1s,4s,7r)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1h-1,2,4-triazol-1-yl)benzamide
+CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)(CNC(=O)OCc1ccccc1)O	7GR	(2~{s})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid
+CCc1cc(c(cc1c2ccc3c(c2)n[nH]c3c4[nH]c5c(n4)CCN(C5)C(=O)c6cnc(cn6)N7CCCCC7)F)O	7GS	{2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-2h-indazol-3-yl]-3,4,6,7-tetrahydro-5h-imidazo[4,5-c]pyridin-5-yl}[5-(piperidin-1-yl)pyrazin-2-yl]methanone
+C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CC[C@H](C4)S(=O)(=O)c5ccccc5	7GT	{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3r)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone
+c1cn(c2c1C(=O)NC(=N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	7GU	7-deaza-2'-deoxyguanosine-5'-monophosphate
+C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CCCC4	7GV	{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone
+C([C@H]1[C@H]([C@H]([C@@H](O1)C(O)O)O)O)O	7GW	(2~{r},3~{r},4~{s},5~{s})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
+CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)Nc4ccc(nc4)C)O	7GX	6-(2-ethyl-4-hydroxyphenyl)-n-(6-methylpyridin-3-yl)-1h-indazole-3-carboxamide
+CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)N)O	7GY	6-(2-ethyl-4-hydroxyphenyl)-1h-indazole-3-carboxamide
+CCc1cc(ccc1c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4)O	7GZ	4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-3-ethylphenol
+CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cn3c(cc(n3)C(F)(F)F)Cl)C	7H0	7-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-n-ethyl-2-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
+c1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	7H1	2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{n}-oxidanyl-~{n}'-phenyl-octanediamide
+CC1=C(N2C(=NC(=CC2=O)Cn3c(cc(n3)C(F)(F)F)Cl)C=C1)[C@@H]4C[C@H]4C#N	7H2	(1r,2r)-2-(2-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile
+c1cc(c(cc1NC(=O)c2ccc(cn2)Br)[C@@]34[C@@H](CCO3)CSC(=N4)N)F	7H3	n-{3-[(4ar,7ar)-2-amino-4,4a,5,6-tetrahydro-7ah-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide
+CCC(=O)N1C[C@@H](CC[C@@H]1C)Nc2c3cc[nH]c3ncn2	7H4	1-{(2s,5r)-2-methyl-5-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
+CS(=O)(=O)c1cccc(c1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(=O)O)Cl	7H5	(3s)-8-(2-amino-6-{(1r)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
+CC1=CC[C@]2(C[C@@H]1O)[C@@H](CC[C@@H]2C(=O)O)C(C)C	7H6	(1s,4s,5s,9s)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid
+Cc1nnc2n1nc(c3c2cccc3)N[C@@H](C)[C@H](c4ccccc4)N(C)C	7H7	(1s,2s)-n~1~,n~1~-dimethyl-n~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine
+C[C@@H]1CN([C@H](C[NH2+]1)CN2CCCC2=O)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C	7H8	1-[[(2~{r},5~{r})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one
+C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(cn4)Cc5ccc(cc5)F)(C)C	7H9	1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[[(3~{r})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone
+Cc1c(nc(o1)c2ccc(cc2)Cl)COc3cccc(c3)CN(CC(=O)O)C(=O)OC	7HA	n-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-n-(methoxycarbonyl)glycine
+CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NC4CCC(CC4)O)c5cccc(c5F)Cl	7HC	(2's,3r,4's,5'r)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-n-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
+Cc1cc(no1)Cn2cc(cn2)c3c(cnc4c3[nH]c(n4)c5cn(nc5C)C)Cl	7HD	3-((4-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)-1h-pyrazol-1-yl)methyl)-5-methylisoxazole
+Cc1c(c2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Fe@]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)C=C)C)C=C)C)C	7HE	7-methyl-7-depropionatehemin
+CCOc1c(c(n(n1)c2ccccc2)NC(=O)N[C@@H]3CN(C[C@H]3c4ccc(c(c4)F)F)CCOC)C	7HF	1-[(3s,4r)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea
+C[C@H]1[C@H](/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1OC)C)C(C)C)Cc3cccc(c3)O)OC	7HG	3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
+c1ccc(cc1)C(=O)Nc2cc(ccc2OCc3ccc(cc3)Cl)C(=O)NCC(=O)O	7HH	n-{3-[(benzenecarbonyl)amino]-4-[(4-chlorophenyl)methoxy]benzene-1-carbonyl}glycine
+CCc1c(c2c(n1CC[C@H](C[C@H](CC(=O)O)O)O)CCCCC2)C(=O)Nc3ccc(cc3)c4ccccc4	7HI	(3r,5r)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4h)-yl]-3,5-dihydroxyheptanoic acid
+CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)NCc2cccc3c2cccc3)NC(=O)/C=C/c4ccccc4	7HJ	n,n-diethyl-n~2~-[(2e)-3-phenylprop-2-enoyl]-l-asparaginyl-4-fluoro-n-[(naphthalen-1-yl)methyl]-l-phenylalaninamide
+COC(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)Nc4ccncc4	7HK	methyl [11-oxo-3-(pyridin-4-ylamino)-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]acetate
+c1ccc(cc1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O	7HL	2-[(benzenecarbonyl)amino]-3-[(4-chlorophenyl)methoxy]benzoic acid
+c1ccc2c(c1)CN(C2=O)c3c(cccc3OCc4ccc(cc4)Cl)C(=O)O	7HM	3-[(4-chlorophenyl)methoxy]-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)benzoic acid
+c1cc(c(c(c1C(=O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O	7HN	3,4-dihydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methyl]benzoic acid
+c1ccc(c(c1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O)OCC(=O)O	7HO	2-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-3-[(4-chlorophenyl)methoxy]benzoic acid
+c1c2c(c(ncn2)O)[nH]n1	7HP	7-hydroxy-pyrazolo[4,3-d]pyrimidine
+c1ccc2c(c1)ncn2CO	7HQ	benzimidazol-1-ylmethanol
+CCc1c(n2cc(ccc2n1)C3CCN(CC3)S(=O)(=O)CCCN(C)C)N(C)c4nc(cs4)c5ccc(cc5)F	7HR	~{n}-[6-[1-[3-(dimethylamino)propylsulfonyl]piperidin-4-yl]-2-ethyl-imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-~{n}-methyl-1,3-thiazol-2-amine
+[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)C	7HS	(s)-2-acetamido-6-amino-n-((s)-5-guanidino-1-oxopentan-2-yl)hexanamide
+Cc1cnn(c1)C[C@H]2C[NH2+][C@@H](CN2CC(=O)N3CC(c4c3cc(nc4)Cc5ccccc5)(C)C)C	7HT	1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone
+C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(cn3)Cc4ccccc4)(C)C	7HU	1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone
+c1cc(c(cc1CNCCS(=O)(=O)O)Cl)Cl	7HV	2-[(3,4-dichlorobenzyl)amino]ethanesulfonic acid
+CC[C@H]([C@@H](C/C=C\C/C=C\C/C=C\CC=CC/C=C\CCC(=O)O)O)O	7HW	(4z,7z,10z,13z,16z,19r,20r)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid
+c1c[nH]c2c1c(ncn2)O	7HX	7h-pyrrolo[2,3-d]pyrimidin-4-ol
+CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](C)C(=O)NCc1cccc2c1cccc2)NC(=O)CCc3ccccc3	7HY	n,n-diethyl-n~2~-(3-phenylpropanoyl)-l-asparaginyl-n-[(naphthalen-1-yl)methyl]-l-alaninamide
+Cc1cc(no1)C(=O)N[C@@H](CC(=O)NOC(C)(C)C)C(=O)N[C@@H](COC)C(=O)NCc2cccc3c2cccc3	7HZ	n-tert-butoxy-n~2~-(5-methyl-1,2-oxazole-3-carbonyl)-l-asparaginyl-o-methyl-n-[(naphthalen-1-yl)methyl]-l-serinamide
+CC/C(=C(/c1ccc(cc1)/C=C/C(=O)O)\c2ccc3c(c2)c[nH]n3)/c4ccc(cc4Cl)F	7I0	(2e)-3-{4-[(1e)-2-(2-chloro-4-fluorophenyl)-1-(2h-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid
+Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)NCc4cccc5c4cccc5	7I1	3-methyl-n-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide
+c1cc2cn(nc2c(c1)[N+](=O)[O-])C(=N)N	7I2	7-nitroindazole-2-carboxamidine
+c1cc(ccc1/C=C/C(=O)O)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	7I5	(2e)-3-(4-{[(1s,2r,4s,5s,6s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid
+CSCC[C@@H](C(=O)N1CCC[C@@H]1c2ccccc2SC)NC(=O)NCc3ccc(cc3)N	7I6	1-(4-aminobenzyl)-3-[(2s)-4-(methylsulfanyl)-1-{(2r)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea
+COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)OCCCCN5CCCCC5)c6ccc(cc6)O	7I9	(1r,2s,4r,5r,6r)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-(4-propoxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
+c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)O	7IA	[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N	7ID	(2~{s})-4-[[(2~{s})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid
+c1cc(ncc1CN(CC(F)F)C2=CC(=O)OC2)Cl	7IE	flupyradifurone
+COCCNc1cc(ncc1CN)NC(=O)N2CCCc3c2nc(cc3)C(=O)C(F)(F)F	7IF	n-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide
+CCc1c(c(nc(n1)N)N)c2ccc(cc2)NCc3cc(cc(c3)F)F	7IG	5-{4-[(3,5-difluorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine
+CC(C)[C@@H]1CNC(=O)c2n1nc(c2)c3ccnc(c3)NC(=O)C4CC4	7IH	n-{4-[(7r,8r)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide
+CC(c1ccc(nc1)C(F)(F)F)[S@](=NC#N)(=O)C	7II	sulfoxaflor
+C[C@@H]1COCCN1c2cc3n(n2)[C@@H](CNC3=O)C(C)C	7IK	(7r,8r)-2-[(3r)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
+C[C@H]([C@@H](C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)[C@H](CCO)O)NC(=O)[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)O	7IM	n-[(2s)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-2-methyl-3-oxopropanoyl]-l-threonyl-n-[(3s,4s)-1,3-dihydroxy-6-methylheptan-4-yl]-l-allothreoninamide
+c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)NCc2ccc(cc2)C(=N)N	7IN	n-(benzylsulfonyl)seryl-n~1~-{4-[(z)-amino(imino)methyl]benzyl}serinamide
+COc1cccc(c1)c2cccc(c2)CCc3cccc(n3)N	7IP	6-[2-(3'-methoxybiphenyl-3-yl)ethyl]pyridin-2-amine
+C[C@@H]1COCCN1c2cc3n(n2)[C@@H]4CCC[C@@H]4NC3=O	7IQ	(5as,8ar,9s)-2-[(3r)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4h-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one
+CN1CCC[C@H]1COc2nc3c(cnc(c3F)c4cccc5c4c(ccc5)Cl)c(n2)N6CCNCC6	7IZ	7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine
+COC[C@@H](C(=O)NCc1cccc2c1cccc2)NC(=O)[C@H](CC(=O)N3CCCCC3)NC(=O)CCc4ccccc4	7J0	(2~{s})-~{n}-[(2~{s})-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-2-(3-phenylpropanoylamino)-4-piperidin-1-yl-butanamide
+COC[C@@H](C(=O)NCc1cccc2c1cccc2)NC(=O)[C@H](CC(=O)n3cccc3)NC(=O)CCc4ccccc4	7J1	(2s)-n-{(2s)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1h-pyrrol-1-yl)butanamide (non-preferred name)
+Cc1cc(ccc1F)c2cnc(nc2)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)C(C)C	7J2	(4s)-3-[2-({(1s)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one
+C1CCN(CC1)C(=O)C[C@@H](C(=O)O)N	7J3	(2s)-2-amino-4-oxo-4-(piperidin-1-yl)butanoic acid
+CC(C)(C)ONC(=O)C[C@@H](C(=O)O)N	7J4	n-tert-butoxy-l-asparagine
+CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)C(=O)N	7J5	4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide
+C[C@@H]1CN([C@H](C[NH2+]1)C(=O)N2CCOCC2)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C	7J6	1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone
+Cc1c(c(c([nH]1)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c[nH]4)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	7J8	3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{h}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{h}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{h}-pyrrol-2-yl]methyl]-1~{h}-pyrrol-3-yl]propanoic acid
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCC(=O)O)O	7J9	6-{4-[(1s,4s,6r)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic acid
+CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O	7JA	n-({(1r,2s)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetyl)-l-isoleucine
+CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c3ccccc3C2=O	7JB	~{n}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide
+Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)C)S(=O)(=O)NC4(CC4)C	7JC	1-methyl-~{n}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide
+c1cc(ccc1c2cc3c(c(c2)O)N=CNC3=O)F	7JD	6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+Cn1c2ccc(cc2cn1)[C@@H](c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O	7JE	5-(4-fluorophenyl)-~{n}-[[3-[(~{r})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide
+c1cc(ccc1c2c(c(c(c3c2C(=O)NC=N3)O)F)c4ccc(cc4)F)F	7JF	7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+c1cc(ccc1c2cc(c3c(c2c4ccc(cc4)F)C(=O)NC=N3)O)F	7JG	5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+Cc1c(sc(n1)C)c2cc3c(c(c2)O)N=CNC3=O	7JH	6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{h}-quinazolin-4-one
+CC1=CC=CN2C1=[N+](C(=C(C2=O)c3cc(cc(c3)Cl)Cl)[O-])Cc4cnc(s4)Cl	7JI	3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione
+c1cc(ccc1c2cc(c3c(c2Cl)C(=O)NC=N3)O)F	7JJ	5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+Cc1cc(sc1c2cc3c(c(c2)O)N=CNC3=O)C(=O)N4CCN(CC4)C	7JK	6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{h}-quinazolin-4-one
+c1c(cc(c2c1C(=O)NC=N2)O)Br	7JL	6-bromanyl-8-oxidanyl-3~{h}-quinazolin-4-one
+Cc1c(cccn1)c2cc3c(c(c2)O)N=CNC3=O	7JM	6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{h}-quinazolin-4-one
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)[C@@H]4C[C@H]4CNC(=O)c5cc(cc(c5O)O)c6ccc(cc6)F)O	7JN	4'-fluoro-4,5-dihydroxy-n-{[(1r,2r)-2-{(2s,4r,5r)-4-hydroxy-5-[6-(methylamino)-9h-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide
+C[C@H](C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)NC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F	7JO	n-[1-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1cc(ccc1c2cc3c(c(c2)O)N=CN(C3=O)CCCCCn4ccc5c4ccnc5)F	7JP	6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one
+c1cc(ccc1c2cc3cncnc3c(c2)O)F	7JQ	6-(4-fluorophenyl)quinazolin-8-ol
+CN1C=C(C=C(C1=O)O)c2ccccc2	7JR	1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one
+c1cc2cc(cc(c2nc1)O)c3ccc(cc3)F	7JS	6-(4-fluorophenyl)quinolin-8-ol
+c1cc2c(cc1Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO)OCO2	7JT	(3r)-3-{3-[(2h-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-n-hydroxybutanamide
+c1cc(ccc1c2cc3c(c(c2F)O)N=CNC3=O)F	7JU	7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+COCc1ccccc1c2cc3c(c(c2)O)NC=NC3=O	7JV	6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{h}-quinazolin-4-one
+c1cc(ccc1c2cc3c(c(c2)O)nccn3)F	7JW	7-(4-fluorophenyl)quinoxalin-5-ol
+c1c2cc(cnc2c(cc1Br)O)Cl	7JX	6-bromanyl-3-chloranyl-quinolin-8-ol
+c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCCCC(=O)O)c5ccc(cc5)O	7JY	7-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid
+C([C@@H]1[C@@H]([C@@H](C([C@@H](O1)O)(F)F)O)O)O	7JZ	2-deoxy-2,2-difluoro-beta-d-lyxo-hexopyranose
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CN)NP(=O)(CNC(=O)OCc1ccccc1)O	7K0	(2~{s})-2-[[(2~{s})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid
+Cc1ccc(c(c1)c2ccccc2)c3c(c4cccnc4[nH]3)CCC(=O)N5CCOC[C@H]5c6[nH]c7ccccc7n6	7K1	1-[(3~{r})-3-(1~{h}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one
+C1[C@@H]([C@H]([C@@H](CN1)O)O)CS[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	7K2	[(3s,4r,5r)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-d-mannopyranoside
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)S)O)O)O)O	7K3	1-thio-alpha-d-mannopyranose
+C[C@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3	7K4	2-fluoranyl-5-[2-[(4~{s})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCCC(=O)O)O	7K6	7-{4-[(1s,4s,6r)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid
+C[C@@H]1C[NH2+]CCCN1S(=O)(=O)c2cccc3c2ccnc3	7K7	5-[[(2~{r})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline
+C\1CN(C(=O)N/C1=N/O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	7K8	[(2~{r},3~{s},5~{r})-5-[(4~{e})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1cc(c(c(c1)O)O)C(=O)NCCCN(CCCCN(CCCNC(=O)c2cccc(c2O)O)C(=O)c3cccc(c3O)O)C(=O)c4cccc(c4O)O	7K9	n,n'-(butane-1,4-diyl)bis(n-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide)
+C[C@@H](C1=Nn2cccc2C(=O)N1c3ccccc3)Nc4c(c(ncn4)N)C#N	7KA	4-azanyl-6-[[(1~{s})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
+Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3	7KB	5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline
+Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C	7KC	pf-3758309
+CNC(=O)c1ccc(cc1)Nc2ncc(c(n2)NCc3c(nccn3)N(C)S(=O)(=O)C)C(F)(F)F	7KD	~{n}-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
+c1cc(ccc1c2nc(on2)CCCO)Cl	7KE	3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
+Cc1cccc(c1)Nc2c3c(nc(n2)N[C@@H]4CCCC[C@@H]4N)CNC3=O	7KF	2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5h-pyrrolo[3,4-d]pyrimidin-5-one
+Cn1cc(cn1)c2c3c(c(c(n2)N[C@@H]4CCCC[C@@H]4N)F)CNC3=O	7KG	6-{[(1r,2s)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1h-pyrazol-4-yl)-1,2-dihydro-3h-pyrrolo[3,4-c]pyridin-3-one
+[H]/N=C/c1nc(nc(n1)N(Cc2cn3ccccc3n2)C4CCCC4)N5CCOCC5	7KH	~{n}-cyclopentyl-~{n}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
+Cc1c(c(on1)C)CN[C@@H]2CCc3c(sc4c3C(=O)N(C=N4)Cc5ccc(c6c5cccc6)OC)C2	7KJ	(7~{r})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
+c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4cc(c(cc4F)Br)F)Cl	7KK	4-bromo-n-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide
+c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CC(=O)O)c5ccc(cc5)O	7KL	3-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccc3	7KM	4-fluoro-5-methyl-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
+c1cnc(cn1)CN(c2nc(nc(n2)N3CCOCC3)C=[N-])C4CCCC4	7KN	[4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide
+c1cc(cnc1)CN(Cc2cccnc2)c3cc(nc(n3)N)Cl	7KO	6-chloro-n~4~,n~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
+c1cc(ccc1/C=C/c2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	7KP	(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[3-[(~{e})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4 ,5-triol
+CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)OCCc4cccc(c4)[C@H](C1=O)Nc5ccc6c(c5)ccnc6N	7KQ	(5r)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione
+CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)CCc4cccc(c4)[C@H](C1=O)Nc5ccc6c(c5)ccnc6N	7KR	(11r)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione
+C[C@@H]1CC(=O)Nc2ccc(c(c2)CN(C(=O)[C@@H](c3ccc(c1c3)OCC(F)F)Nc4ccc5c(c4)c(cnc5N)F)C)S(=O)(=O)C6CC6	7KS	(5r,11r)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione
+Cc1cc(c(c(c1)C)S(=O)(=O)NC)C	7KT	~{n},2,4,6-tetramethylbenzenesulfonamide
+CCC(=O)N1CCC[C@H](C1)Nc2c3cc[nH]c3ncn2	7KU	1-{(3r)-3-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
+CCC(=O)N1CC[C@H]2CCN([C@H]2C1)c3c4cc[nH]c4ncn3	7KV	1-[(3ar,7ar)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6h-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one
+c1ccc(cc1)c2c(c[nH]n2)c3ccnc(n3)Nc4ccccc4	7KW	n-phenyl-4-(5-phenyl-1h-pyrazol-4-yl)pyrimidin-2-amine
+CCC(=O)Nc1cccc(c1)c2c3cc[nH]c3ncn2	7KX	n-[3-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide
+COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(cc3)Br)Cl)O)O	7KY	methyl 2-(2-{1-[(4-bromophenyl)methyl]-1h-imidazol-2-yl}ethyl)-3-chloro-4,6-dihydroxybenzoate
+CCCCCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC	7KZ	n4-(1-methylpiperidin-4-yl)-n2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine
+CC(=O)Nc1nc2ccc(cn2n1)c3cc(cnc3)S(=O)(=O)C	7L0	n-[6-(5-methylsulfonylpyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamide
+CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O	7L1	s-{(3s,5r,9r)-1-[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate
+CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3c[n+](c4c3N=C(NC4=O)N)C)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6NC(=NC7=O)N)O)O)S)C	7L2	[[[(3~{a}~{r},4~{r},6~{r},6~{a}~{r})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CC(C)(C)c1ccc(cc1)S(=O)(=O)/N=C\2/N(N=C(S2)S(=O)(=O)N)C	7L3	(5z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide
+c1ccc(cc1)c2cc(c3ccccc3n2)O	7L4	2-phenylquinolin-4-ol
+Cc1c(c(n(n1)C)C)N(C(F)F)S(=O)(=O)c2c(cc(cc2Cl)CCCC3CCNCC3)Cl	7L5	2,6-dichloro-n-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC	7L6	6,7-dimethoxy-n-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine
+COC(=O)/C(=C\1/N(C(=O)CS1)c2ccccc2F)/C#N	7L7	methyl (2~{z})-2-cyano-2-[3-(2-fluorophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate
+CN1CCC[C@H]1COc2nc3c(cnc(c3F)c4cc(cc5c4cccc5)O)c(n2)N6C[C@H]7CC[C@@H](C6)N7	7L8	4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
+c1cc(cc(c1)C(=O)O)c2cc(ncc2C(=O)O)C(=O)O	7L9	4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid
+C[C@@H](C/C=C/c1cc(cnc1)Oc2ccccc2)NC	7LB	(e,2s)-n-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine
+CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C	7LD	(8alpha)-n,n-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide
+CC/C=C\C[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O	7LE	(5z,8z,11z,14r,15r,17z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid
+Cc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(cc4)F	7LF	1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium
+CCCCCCN([C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)F)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]3CCCCN3C	7LG	(2~{s},4~{r})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-3-[hexyl-[(2~{s},3~{s})-3-methyl-2-[[(2~{r})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid
+c1cc(c(cc1CCC(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O)O	7LH	(1r,3r,4s,5r)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid
+CC(C)Oc1cccc(c1[N@]2CCC[C@H](C2)N)/C=C\3/C(=O)NC(=O)S3	7LI	(5z)-5-{2-[(3r)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione
+Cn1c(cc2c1nccc2C#N)c3ccc(cc3)N4CCNCC4	7LK	1-methyl-2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile
+c1ccc2c(c1)ccc(c2/C=N\NC(=O)c3ccccc3O)O	7LL	2-hydroxy-n'-[(z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCc2ccccc2)O)O	7LM	n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide
+c1cc(cc(c1)NC(=N)c2cccs2)CO[C@@H](CN)COCc3cccc(c3)/N=C(\c4cccs4)/N	7LN	n,n''-{[(2s)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
+C[n+]1cn(c2c1c(nc(n2)N)O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)n5cnc6c5N=C(NC6=O)N)O)O)[SeH])O)OC	7LO	[[[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-selanyl-phosphoryl] [(2~{r},3~{s},4~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CCCCCCCC(=O)NC(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	7LP	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(6-phenylhexyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide
+C1C=C[C@H]([C@@H]([C@H]1CO)O)O	7LQ	(1~{r},2~{r},6~{r})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol
+CS(=O)(=O)N(CC(=O)N)c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N	7LR	n-(2-amino-1h-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-5-chlorophenyl]acetamide
+c1ccc2c(c1)C(=O)c3cc(ccc3N2)NC4=NC(=O)N(C=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	7LS	2-[[1-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{h}-acridin-9-one
+CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)CCc5ccccc5)Cl)Cc6ccc(cc6)Cl	7LT	(5~{r},13~{s},17~{s})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone
+c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)Cl)O)O)O	7LU	2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one
+CN1Cc2cnc3ccc(nc3c2N(C1=O)C4CCC(CC4)CN(C)C)c5cc(c(c(c5)Cl)O)Cl	7LV	9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3-methyl-3,4-dihydropyrimido[5,4-c][1,5]naphthyridin-2(1h)-one
+CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)Cl)Cl)Cc5ccc(cc5)S(=O)(=O)C	7LW	(5~{r},13~{s},17~{s})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone
+CCOc1ccc(cc1OC)[C@H](C(=O)O)Nc2ccc3cnccc3c2	7LX	(2~{r})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid
+c1ccc(cc1)COc2cc(ccc2C(=O)Nc3ccc4c(c3)CCNCC4)c5c[nH]nc5	7LY	2-(benzyloxy)-4-(1h-pyrazol-4-yl)-n-(2,3,4,5-tetrahydro-1h-3-benzazepin-7-yl)benzamide
+C[C@H]1CC[C@H]([C@@H]([C@@H](OC(=O)/C=C\C=C\[C@H]([C@H](C[C@@H](/C=C\[C@@H]([C@@H]([C@H](C1)C)O)C)O)O)C)[C@@H](C)/C=C\C=C)C)O	7LZ	(3~{z},5~{e},7~{r},8~{s},10~{s},11~{z},13~{s},14~{r},15~{s},17~{s},20~{r},21~{s},22~{s})-22-[(2~{s},3~{z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one
+c1c2c(cc(c1Br)Br)nn[nH]2	7M0	5,6-dibromobenzotriazole
+c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O	7M1	phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
+c1ccc-2c(c1)N[C@@H](c3n2ccc3)c4cccnc4	7M2	(4~{r})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline
+CN(C)Cc1cccc(c1)OCc2ccc3ccc(nc3c2)N	7M3	7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
+c1cc(ccc1C=CCCCC(=O)O)C2=C([C@@H]3C[C@@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O	7M4	6-{4-[(1s,4s,6s)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid
+c1ccc2c(c1)nc(c3n2ccc3)c4cccnc4	7M5	4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline
+c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF	7M6	7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
+c1cc(ccc1c2ccc(cc2c3ccc(cc3)O)S(=O)(=O)Oc4ccc(cc4)Br)O	7M7	4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
+Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5CCCO)C3=O)N(C(=O)N2C)C	7M8	6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
+c1ccc2c(c1)ccc(c2c3c4cccn4c5ccccc5n3)O	7M9	1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol
+CCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C	7MA	n-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-n-(pyridin-3-ylmethyl)ethanamide
+CN1C(=O)N[C@@H]2[C@]1(C[C@@H]3[C@H]2NC(=O)c4n3c(cc4)Br)O	7MB	agelastatin a
+CC(=O)N[C@@H](CC(=O)O)C(=O)N[P@@](=O)(OCCCN)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	7MC	5'-o-[(r)-[(n-acetyl-l-alpha-aspartyl)amino](3-aminopropoxy)phosphoryl]adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(NC(=O)[C@H](CC(=O)O)N)OCCCN)O)O)N	7MD	5'-o-[(r)-(3-aminopropoxy)(l-alpha-aspartylamino)phosphoryl]adenosine
+C[C@H]1CCc2c(nc(nc2N)N)C1	7ME	(7s)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
+c1ccc(cc1)c2ccc(c3c2CC([C@H](CC3)[NH3+])(O)O)Br	7MF	[(7~{s})-1-bromanyl-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	7MG	7n-methyl-8-hydroguanosine-5'-monophosphate
+CC1=CC(=S)N(C(=C1)C)O	7MH	1-hydroxy-4,6-dimethylpyridine-2(1h)-thione
+C[C@@]12CCC(=O)C([C@H]1C(=O)[C@H]([C@]3([C@H]2CC(=C)[C@@]4([C@@H]3C(=O)O[C@](C4=O)(C)C(=O)OC)C)C)O)(C)C	7MI	methyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene) -5,6a,9,10,10b,11-hexahydro-4ah-naphtho[1,2-h]isochromene-2-carboxylate
+CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3[nH]nc(n3)Cc4ccccc4	7MJ	3-benzyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1h-1,2,4-triazole-5-carboxamide
+c1ccc2c(c1)CC[C@@H](C(C2)(O)O)[NH3+]	7MK	[(7~{s})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
+c1ccc(cc1)c2cccc3c2CC([C@H](CC3)[NH3+])(O)O	7ML	[(7~{s})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
+COC(=O)N[C@H]1CCC[C@@H]1[C@](CN2CCC2)(c3cccc(c3)F)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)C7CN(C7)C(=O)CCCN8CCCCC8	7MM	methyl [(1s,2r)-2-{(1s)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate
+CC1=C(/C(=C\[NH+]=C(/C[N@@]2CCc3c2cccc3)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	7MN	(z)-n-[(1e)-1-carboxy-2-(2,3-dihydro-1h-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methanaminium
+Cc1ccc(cc1N2C=C3C=NC(=NC3=[N+](C2=O)C)N)NC(=O)c4cccc(c4)C(F)(F)F	7MP	7-amino-1-methyl-3-(2-methyl-5-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	7MQ	menaquinone-7 (altered)
+c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C[C@@](C(=O)NO)(C(F)(F)F)N	7MR	(2r)-2-amino-3,3,3-trifluoro-n-hydroxy-2-{[(4-phenoxyphenyl)sulfonyl]methyl}propanamide
+CC[C@H]([C@@H](C/C=C\C/C=C\CC=CC/C=C\CCCC(=O)O)O)O	7MS	(5z,8z,11z,14z,17r,18r)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid
+c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9	7MT	tb-xo4
+CNC(=O)c1cc(ccn1)Cl	7MU	4-chloranyl-~{n}-methyl-pyridine-2-carboxamide
+c1ccc(cc1)CNC(=O)c2ccc3c(c2)ccn3Cc4ccc(c(c4)F)Cl	7MV	n-benzyl-1-[(4-chloro-3-fluorophenyl)methyl]-1h-indole-5-carboxamide
+CCC(=O)c1cc([nH]c1)C(=O)OC	7MW	methyl 4-propanoyl-1~{h}-pyrrole-2-carboxylate
+CCOC(=O)C1=CN(C(=O)C=C1Cl)C	7MX	ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
+CC1(c2cnc(nc2N(C1=O)[C@H]3CCc4c3cccc4O)Nc5cccc(c5)CN6CCCC6)C	7MY	7-[(1s)-4-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6h-pyrrolo[2,3-d]pyrimidin-6-one
+CC(=O)c1cccc(c1)Oc2ncccn2	7MZ	1-(3-pyrimidin-2-yloxyphenyl)ethanone
+C1C[C@H](C(=O)C1)CC(=O)O	7N0	2-[(1~{s})-2-oxidanylidenecyclopentyl]ethanoic acid
+c1cc2c(cc1C#N)cc(cc2Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F)F	7N1	5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile
+c1ccc2c(c1)-n3cccc3[C@H](N2S(=O)(=O)c4cccc(c4)C(F)(F)F)c5cccnc5	7N2	(4~{r})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{h}-pyrrolo[1,2-a]quinoxaline
+c1ccc2c(c1)C(=O)NC(=N2)SCC(=O)Nc3c(ccs3)C(=O)N	7N3	2-[2-[(4-oxidanylidene-3~{h}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide
+B(c1ccc(c(c1)Cl)OCc2ccccc2F)O	7N4	{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid
+CCCCC(=O)C(=O)O	7N5	2-ketohexanoic acid
+CCCC[C@H](C(=O)O)O	7N6	(2r)-2-hydroxyhexanoic acid
+B(c1ccc2ccccc2c1)(O)O	7N7	naphthalen-2-ylboronic acid
+B(c1ccc(cc1)C[C@@H](C(=O)O)N)(O)O	7N8	4-borono-l-phenylalanine
+COc1ccc(cc1C[NH3+])Cl	7N9	(5-chloranyl-2-methoxy-phenyl)methylazanium
+Cc1cc(cc2c1ccc(c2C(=O)O)O)OC	7NA	2-hydroxy-7-methoxy-5-methyl naphthoic acid
+CCc1c(n2cc(cc(c2n1)C)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)c5nc(c(s5)C#N)c6ccc(cc6)F	7NB	2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
+CC1=CC(=O)NC(=N1)SCC(=O)c2cccc3c2cccc3	7NC	4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{h}-pyrimidin-6-one
+B(c1cc(cc(c1)Br)Oc2ccccc2)(O)O	7ND	(3-bromo-5-phenoxyphenyl)boronic acid
+CCOC(=O)c1nc(cs1)C(=O)O	7NF	2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid
+CCNc1c(cc2c(c(oc2n1)c3ccc(cc3)F)C(=O)NC)c4cccc(c4)C(=O)NC(C)(C)C	7NG	5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-n-methylfuro[2,3-b]pyridine-3-carboxamide
+c1cc(cc(c1)c2cccc(c2O)c3cc4cnccc4[nH]3)CNC(=O)N	7NH	[2'-hydroxy-3'-(1h-pyrrolo[3,2-c]pyridin-2-yl)-biphenyl-3-ylmethyl]-urea
+c1cc2cn[nH]c2c(c1)[N+](=O)[O-]	7NI	7-nitroindazole
+B(c1ccc(c(c1)Br)C)(O)O	7NJ	(3-bromo-4-methylphenyl)boronic acid
+c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)O	7NL	4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2r,4r,7as)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
+B(c1ccc(c(c1)OCc2ccccc2)C)O	7NM	[3-(benzyloxy)-4-methylphenyl]borinic acid
+C[C@H]1CCc2ccc(cc2C1=O)OC	7NP	(2s)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2h)-one
+CCC(=O)Nc1nc2ccccc2c(n1)OCC	7NQ	~{n}-(4-ethoxyquinazolin-2-yl)propanamide
+B(c1cc(cc(c1)Br)N2CCCC2)O	7NS	[3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
+CCC(=O)Nc1nc(c2ccsc2n1)N3CCOCC3	7NT	~{n}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide
+c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)[C@H]3CO3)O)O)O	7NU	phenyl 6,7-anhydro-d-glycero-beta-d-galacto-heptopyranoside
+CCCCNC(=O)[C@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3	7NV	5-[[[(1s)-2-(butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+Cc1nc(cs1)C(=O)O	7NW	2-methyl-1,3-thiazole-4-carboxylic acid
+C1CCC(CC1)COC(=O)O	7NX	cyclohexylmethyl hydrogen carbonate
+c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OC[C@]56CCCN5C[C@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)O	7NZ	4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2s,4s,7ar)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
+c1ccc(cc1)Cc2cccc(c2)c3cc(ccc3O)/C=C/C(=O)O	7O0	(~{e})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](CC(c2ccccc2)c3ccccc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)O	7O2	[(2~{s})-2-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4,4-diphenyl-butyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid
+c1cc2c(cc1NC(=O)CCl)ncnc2Nc3cc(ccc3Cl)O	7O3	2-chloranyl-~{n}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide
+c1cc(oc1)c2cc([nH]n2)C(=O)O	7O4	3-(furan-2-yl)-1h-pyrazole-5-carboxylic acid
+C([C@@H](C(=O)O)N)NC(=O)CS	7O5	(2~{s})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid
+Cc1cc2c(cc1C=O)[n+](c3c(n2)C(=O)NC(=O)N3)C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O	7O6	[(2~{s},3~{r},4~{r})-5-[8-methanoyl-7-methyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	7O7	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1cc(ccc1CSc2ccc(s2)S(=O)(=O)N)Cl	7O8	5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide
+c1cc(cc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O	7O9	(2~{s},3~{s})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	7OA	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
+c1cc(cc(c1)C(F)(F)F)C2=C([N+](=C3C=CC=CN3C2=O)Cc4cncnc4)[O-]	7OB	4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate
+CCCCCCC/C=C/CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC/C=C/CCCCCCC	7OC	[3-[(~{e})-octadec-10-enoyl]oxy-2-oxidanyl-propyl] (~{e})-octadec-10-enoate
+CC[C@H](C/C=C(\C)/C(=O)O)O	7OD	(2e,5r)-5-hydroxy-2-methylhept-2-enoic acid
+C#Cc1c(ccc2c1c(ccc2)c3c(c4c(cn3)c(nc(n4)OCC56CCCN5CCC6)N7C[C@H]8CC[C@@H](C7)N8)F)F	7OE	4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidine
+c1cc(ncc1CN\2C=CC=C/C2=N\C(=O)C(F)(F)F)Cl	7OF	(~{n}~{e})-~{n}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide
+Cc1cc(n2c(n1)ncn2)[C@H]3CCCN(C3)C(=O)c4ccc5ccccc5c4	7OG	[(3s)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone
+c1ccc(cc1)COc2ccc(cc2)N(CC(F)(F)F)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O	7OI	(1s,2r,4s)-n-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F	7OJ	(3-bromo-4-fluorophenyl)[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
+C\1=CN(C(=O)N/C1=N/O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	7OK	n-hydroxycytidine 5'-(dihydrogen phosphate) tautomer
+c1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	7OL	(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol
+Cc1cc(n2c(n1)ncn2)N3CCC[C@H](C3)C(=O)Nc4ccc5ccccc5c4	7OM	(3~{r})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{n}-naphthalen-2-yl-piperidine-3-carboxamide
+CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](Cc1cc(cc(c1)c2ccccc2)c3ccccc3)CP(=O)([C@H](CCc4ccccc4)N)O	7OO	[(2~{s})-3-[[(2~{s})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(cc4)F)(F)F	7OP	[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone
+c1cc(ccc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	7OQ	(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-oxidanylphenoxy)oxane-3,4,5-triol
+COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCc5ccccc5)c6ccc(cc6)O	7OR	(1s,2r,4s)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+C[C@@H](c1cc(ccc1OC(F)(F)F)F)N2CCC(CC2)[C@H]3CCc4ccc(cc4O3)[C@H](C5CC5)[C@H](C)C(=O)O	7OS	(2s,3r)-3-cyclopropyl-3-[(2r)-2-(1-{(1s)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2h-1-benzopyran-7-yl]-2-methylpropanoic acid
+CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)/C)/C)/C)C	7OT	spheroidene
+c1c2c(cc(c1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)C=C2	7OU	6-[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)I)F)(F)F	7OV	[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)C(=O)[C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)OC(=O)/C=C/C=C/C=CC=CC(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C	7OX	7-oxo-simocyclinone d8
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Cl)F)(F)F	7OY	(3-chloro-4-fluorophenyl)[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
+C(CF)[C@@H](C(=O)O)N	7OZ	(s)-2-amino-4-fluorobutanoic acid
+c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O	7P0	n-[(1s)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCP(=O)(O)O	7P1	2-[(2-carboxyphenyl)amino]-5-(3-phosphonopropoxy)benzoic acid
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCP(=O)(O)O	7P2	2-[(2-carboxyphenyl)amino]-5-(4-phosphonobutoxy)benzoic acid
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCCP(=O)(O)O	7P3	2-[(2-carboxyphenyl)amino]-5-[(5-phosphonopentyl)oxy]benzoic acid
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)F)F)(F)F	7P4	[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](3,4-difluorophenyl)methanone
+[H]/N=C(/c1cc2c(s1)C(=CN(C2=O)C)c3ccc(c(c3)OC)OCC(=O)NCCCCCCOc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)\NC7CCS(=O)(=O)CC7	7P7	n-[6-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[n-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide
+CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)O	7P9	[(2r)-2-heptanoyloxy-3-phosphonooxy-propyl] nonanoate
+C(CP(=O)(O)O)CP(=O)(O)O	7PA	propane-1,3-diylbis(phosphonic acid)
+c1ccnc(c1)c2ccc(c(c2)O)Oc3ccc(cc3Cl)CN	7PC	2-[4-(aminomethyl)-2-chlorophenoxy]-5-pyridin-2-ylphenol
+C1=NC2=C(NC1=O)N=C(NC2=O)N	7PD	2-aminopteridine-4,7(3h,8h)-dione
+CCOCCOCCOCCOCCOCCOCCO	7PE	2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethanol
+CC1(C[C@H]2C=C([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C	7PF	pentalenolactone f
+COCCOCCOCCOCCOCCOCCOCCOCCO	7PG	2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol
+CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O	7PH	(1r)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate
+C(C(=O)O)Sc1[nH]c2c(n1)C(=O)NC(=N2)N	7PJ	[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]acetic acid
+c1ccc(cc1)[C@H](C(=O)O)Sc2[nH]c3c(n2)C(=O)NC(=N3)N	7PM	(2r)-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl](phenyl)acetic acid
+Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)C#CCC(C)(C)O	7PP	5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol
+c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CN	7PQ	4-[2-(aminomethyl)naphthalen-1-yl]-n-[2-(morpholin-4-yl)ethyl]benzamide
+CC(=O)O[Pr](OC(=O)C)OC(=O)C	7PR	praseodymium triacetate
+CNC(=O)CSc1[nH]c2c(n1)C(=O)NC(=N2)N	7PS	2-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]-n-methylacetamide
+C[C@H]1[C@H]2C=C([C@H]3[C@]2(C=C1C)[C@@]4(CO4)C(=O)OC3)C(=O)O	7PT	pentalenolactone
+c1cc(ccc1CCSc2[nH]c3c(n2)C(=O)NC(=N3)N)S(=O)(=O)N	7PV	4-{2-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5c(cc(cc5F)c6ccc(cc6)F)F	7PW	n-[(1r)-2-(1h-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
+COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4ccccn4	7PY	7-pyridin-2-yl-n-(3,4,5-trimethoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+c1ccc(cc1)[C@@H]2C(=O)NC(=O)O2	7Q1	(5r)-5-phenyl-1,3-oxazolidine-2,4-dione
+COC(=O)/C=C\c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	7Q5	methyl 3-(4-{[(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate
+COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4cccc5c4cc[nH]5	7Q7	2-(1h-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1h-imidazo[4,5-c]pyridine
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC	7Q9	[(2~{r})-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] (~{z})-octadec-9-enoate
+C[C@H](C(=O)O)NC(=O)[C@H](CCC[C@H](C(=O)O)N)NC(=O)O	7QA	(2r,6s)-2-amino-6-(carboxyamino)-7-{[(1r)-1-carboxyethyl]amino}-7-oxoheptanoic acid
+Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CN4CCN(CC4)c5ccc(c(c5)OC)Nc6cc(c(cn6)C(F)(F)F)Nc7ccccc7C(=O)NC)O	7QB	(2s,4r)-4-hydroxy-1-((s)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-n-((s)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
+C(C(=O)C(=O)O)[C@](CC(=O)O)(C(=O)O)O	7QD	(2s)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
+C(=N/O)(\C(=O)O)/C(F)(F)F	7QE	(2z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid
+C(=NNC(=O)N)(C(=O)O)C(F)(F)F	7QH	(2e)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid
+CN[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)CO)O	7QM	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-d-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside
+Cc1c(ccc2c1CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C)O	7QN	(e)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1h-isoquinolin-1-yl)phenyl]prop-2-enoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H]2C[C@@H](CC[C@H]2C)C(=O)O)O	7QP	(1r,3s,4r)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid
+CC(=O)Nc1nc2cc(ccc2s1)OC	7QQ	n-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide
+c1ccc(cc1)[C@@H]2C(=O)NC(=O)S2	7QS	(5r)-5-phenyl-1,3-thiazolidine-2,4-dione
+CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5ccc(c(c5)N)Cl	7QU	1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one
+COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=O)O2	7QV	(5r)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione
+COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=O)S2	7QY	(5r)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
+c1cc(ccc1/C=C/2\C(=O)N(C(=N2)[C@H](Cc3c[nH]cn3)N)CC(=O)O)O	7R0	2-[(4e)-2-[(1s)-1-azanyl-2-(1h-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=S)S2	7R1	(5r)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
+[H]/N=C(\c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC	7R2	n-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide
+c1cc(ccc1Cc2cc(ccc2Cl)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4CCOC4	7R3	(2s,3r,4r,5s,6r)-2-[4-chloranyl-3-[[4-[(3s)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
+c1ccc(cc1)C[C@@H]2C(=O)NC(=S)S2	7R4	(5r)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
+c1cc(ccc1/C=C/2\C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O	7R6	2-[(4e)-4-[(4-hydroxyphenyl)methylidene]-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=S)O2	7R7	(5r)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one
+CN(C)[C@H]1CCN(C1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cccc(c3OC(F)F)N4CCCCC4=O	7R9	5-chloro-thiophene-2-carboxylic acid [(s)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((s)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide
+c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)N	7RA	7-alpha-d-ribofuranosyl-2-aminopurine-5'-phosphate
+C1CN(C[C@@H](N1)C(=O)O)CCCP(=O)(O)O	7RC	(2r)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid
+C/C(=C\[C@@]1(C(=C(C(=O)S1)CCCCN=[N+]=[N-])O)C)/C=C	7RD	(r,e)-3-(4-azidobutyl)-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dien-1-yl)thiophen-2(5h)-one
+CC1=NC(=O)CC=C1	7RE	6-methyl-3h-pyridin-2-one
+C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C4CCOCC4)C(=O)N2)Cc5ncccn5	7RG	6-[(3s,4s)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2h-pyran-4-yl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CNC(=O)c1c2cc(ccc2[nH]n1)Br	7RI	5-bromanyl-n-methyl-1h-indazole-3-carboxamide
+CC(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	7RM	5'-o-(acetylsulfamoyl)adenosine
+Cc1ccc(s1)c2cc(n[nH]2)C(=O)NC	7RN	n-methyl-3-(5-methylthiophen-2-yl)-1h-pyrazole-5-carboxamide
+CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)C(=O)N(C)C	7RO	tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate
+c1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	7RP	7-alpha-d-ribofuranosyl-purine-5'-phosphate
+Cc1ccc(cc1NC(=O)CNc2ccc(c(c2)F)F)CN3CCNCC3	7RS	n~2~-(3,4-difluorophenyl)-n-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide
+CNC(=O)c1cccc2c1cc[nH]2	7RT	n-methyl-1h-indole-4-carboxamide
+CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl	7RU	3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea
+c1ccc(cc1)N2CCN(CC2)C3(CCOCC3)CNC(=O)c4cccnc4Sc5ccccc5	7RV	n-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide
+C1C[C@@H](NC1)CC(=O)O	7RX	(r)-homoproline
+c1cc2c(ccc(n2)NCCNCCO)c(c1)NC(=O)CC34CC5CC(C3)CC(C5)C4	7RY	n-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide
+C[C@H](c1ccccc1)N/C(=N/c2cccc3c2cccn3)/NC#N	7S1	n-cyano-n'-[(1r)-1-phenylethyl]-n''-quinolin-5-ylguanidine
+CC(C)(C)[C@@H](NC(=O)Cc1ccc(c(c1)OC)OC)N/C(=N\C#N)/Nc2cccc3c2cccn3	7S4	n-{(1r)-1-[n''-cyano-n'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide
+Cc1cc(nc(c1)N)CCc2cccc(n2)[C@H](Cc3cc(cc(n3)N)C)CN	7S7	6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)propyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCN(C)C	7S9	6-[2-[5-[2-(dimethylamino)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H]([C@H](C=C3CO)N[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O)CO)CO)C)O)O)CO)O)O)N[C@H]7C=C([C@H]([C@@H]([C@H]7O)O)O)CO	7SA	acarbose derived heptasaccharide
+c1cc(oc1)c2[nH]nc(n2)NCc3ccc(cc3)Cl	7SB	n-(4-chlorobenzyl)-5-(furan-2-yl)-1h-1,2,4-triazol-3-amine
+Cc1cc(nc(c1CNC(=O)c2cnn(c2)Cc3ccc(cc3)Cn4cccn4)C)N	7SD	n-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1h-pyrazol-1-yl)methyl]phenyl}methyl)-1h-pyrazole-4-carboxamide
+c1ccc2c(c1)nn(n2)[C@H]3CCC(=O)NC3=O	7SE	(3s)-3-(benzotriazol-2-yl)piperidine-2,6-dione
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O	7SG	(2r,3r,4s,5r,6r)-3,5-dihydroxy-4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+c1cc(c2c(c1O)[C@@H]3CC[C@H]2C3)O	7SI	(1r,4s)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol
+CC(C)n1c(ccn1)c2c(cccn2)COc3cnc(cc3C=O)OC	7SJ	2-methoxy-5-({2-[1-(propan-2-yl)-1h-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde
+CC(C)(C)O[C@@H](c1c(c2ccccc2n1C)c3ccc4c(c3)CCCO4)C(=O)O	7SK	(2s)-tert-butoxy[3-(3,4-dihydro-2h-1-benzopyran-6-yl)-1-methyl-1h-indol-2-yl]acetic acid
+CNC(=O)c1cc([nH]n1)c2ccco2	7SL	5-(furan-2-yl)-n-methyl-1h-pyrazole-3-carboxamide
+COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4	7SM	6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
+c1ccc(cc1)[C@H](C(=O)N/N=C/c2ccc(c3c2cccc3)O)N	7SP	(2r)-2-amino-n'-[(e)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylethanehydrazide
+COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4	7SS	6-(2-{[cyclopropyl(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F)OCCCCCC(=O)O	7SV	6-(2-{[cyclopropyl(2'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
+C[C@H](CCC(=O)NCCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C	7SW	3-((r)-4-((3r,5r,8r,9s,10s,13r,14s,17r)-3-(2-hydroxy-2-methylpropyl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanamido)propanoic acid
+Cc1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C	7SX	[(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccc(c4)F)OCCCCCC(=O)O	7SY	6-(2-{[cyclopropyl(3'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
+Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C	7T1	{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid
+c1ccc2c(c1)CN(C2)C(=O)Nc3ccc(cc3)C(=O)NC[C@@H]4CCOC4	7T7	n-[4-({[(3s)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2h-isoindole-2-carboxamide
+CC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)c5cccnc5)O)C)OC(=O)C)C)OC(=O)C)C	7T8	 (3s,4r,4ar,6s,6as,12r,12as,12bs)-4-[(acetyloxy)methyl]-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2h,11h-naphtho[2,1-b]pyrano[3,4-e]pyran-3,6-diyl diacetate
+CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(nc3)F	7T9	n-[(2s)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
+CC(C)C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccncc4c3	7TA	n-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2h-pyrrolo[3,4-c]pyridine-2-carboxamide
+CC#CCOc1ccc(cc1)C(=O)N[C@H](C(=O)NO)C(C)(C)N	7TD	n-[(2s)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide
+Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)(F)F)C(=O)c4ccc(cc4O)O)Cl	7TJ	n-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-n-(4-{[(trifluoroacetyl)amino]methyl}benzyl)benzamide
+COC(=O)C1=C(NC(=N[C@H]1c2ccc(cc2Cl)F)c3nccs3)CN4CC(C[C@H]4C(=O)O)(F)F	7TL	(2s)-1-[[(4r)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid
+CCCCCCNC(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C	7TM	4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate
+Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OS(=O)(=O)C(F)(F)F	7TO	4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate
+Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)O	7TP	5-{(3r)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde
+Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OC(=O)NCc6ccccc6	7TQ	4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate
+CCN(CC)C(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C	7TR	4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CONC2=O)O	7TS	(5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate
+c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O	7TV	6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+CC(C)CCN1CC[C@H](C1)NC(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	7TX	5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-n-[(3r)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide
+c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O	7TY	6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+c1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4	7U1	6-(2-{[([1,1'-biphenyl]-4-carbonyl)(cyclopropyl)amino]methyl}phenoxy)hexanoic acid
+Cc1c2c(nc(n1)NCC3CC3)[C@]4(CCN(C4)Cc5ccccc5F)COC2	7U2	(3'r)-n-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5h,7h-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine
+c1cc2c(cc1F)C(=O)NN=C2OC[C@@H]3CCNC3	7U3	7-fluoranyl-4-[[(3r)-pyrrolidin-3-yl]methoxy]-2h-phthalazin-1-one
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4)OCCCCCC(=O)O	7U4	6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+c1cc(c2c(c1)[nH]c(n2)C(=O)N3CCNCC3)C(=O)N	7U6	2-piperazin-1-ylcarbonyl-1h-benzimidazole-4-carboxamide
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O	7U7	6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+COC(=O)c1c(c(c[nH]1)c2c[nH]c3c2cc(c(c3)Cl)Cl)c4c[nH]c5c4cc(cc5)Cl	7U8	methyl 4-[5,6-bis(chloranyl)-1h-indol-3-yl]-3-(5-chloranyl-1h-indol-3-yl)-1h-pyrrole-2-carboxylate
+c1cc(c2c(c1)[nH]c(n2)C(=O)N3CC[C@H](C3)N)C(=O)N	7U9	2-[(3r)-3-azanylpyrrolidin-1-yl]carbonyl-1h-benzimidazole-4-carboxamide
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O	7UA	6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+COc1ccc(cc1)N2Cc3cnc(nc3[C@@]4(C2=O)CCN(C4)Cc5ccn[nH]5)NCC6CC6	7UB	(3'r)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1h-pyrazol-5-yl)methyl]-5,6-dihydro-7h-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one
+C[C@H](CC(=O)O)NCC(=O)O	7UC	(3~{r})-3-(2-hydroxy-2-oxoethylamino)butanoic acid
+c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccoc4	7UD	6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccsc4	7UG	6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+COc1ccc(cc1)N2C=C3C=NC(=NC3=C(C2=O)c4ccc(cc4)Br)NCC(F)(F)F	7UI	8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol
+CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccccc3	7UJ	6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid
+C1[C@H](CNC1=O)O	7UK	(r)-4-hydroxy-2-pyrrolidone
+c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N4CCN(CC4)CC(F)(F)F)F	7UL	1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione
+Cn1cc2cc(ccc2n1)N3C=C4C=NC(=NC4=C(C3=O)c5ccc(cc5)Cl)NCC(F)(F)F	7UN	(8r)-8-(4-chlorophenyl)-6-(2-methyl-2h-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6h)-one
+[H]/N=C(/c1ccc2cc(ccc2c1)C#Cc3ccc4c(c3)CCNC4)\N	7UP	6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide
+C[C@H](c1ccc(c2c1cccc2)F)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N	7UR	4-[4-cyano-2-[[(2r)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid
+Cc1c(c2c3c4c1O[C@@](C4=O)(OCC[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](CCC[C@H](C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CCn7c(ncc7[N+](=O)[O-])C)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O	7US	(3am,9s,10bp,14s,15r,16s,17r,18r,19r,20s,21s,25r)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate
+CN(CCCNC1=CC(=O)Oc2c1cccc2)C(=O)c3cccs3	7UU	~{n}-methyl-~{n}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
+B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)B(O)O)O	7UV	(3-{(e)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid
+CN1CCC(CC1)C(=O)Nc2ncc(s2)c3ccccc3	7UX	1-methyl-n-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
+CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccsc3	7UY	6-[2-({(propan-2-yl)[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+C1CCC(CC1)CC(C(=O)O)C(=O)O	7UZ	2-(cyclohexylmethyl)propanedioic acid
+CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccco3	7V1	6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid
+c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N	7V3	(s)-(4-chlorophenyl)-phenyl-methanamine
+CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccoc3	7V4	6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid
+C[NH+](C)CCCNc1c2ccccc2[nH+]c3c1[nH]c4c3cccc4	7V5	~{n}-(5~{h}-indolo[3,2-b]quinolin-11-yl)-~{n}',~{n}'-dimethyl-propane-1,3-diamine
+Bc1ccc(cc1)[C@@H](CCc2ccc(c(c2)C(=O)O)O)O	7V6	5-[(3r)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid
+CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3	7V7	n-phenyl-n-[1-(2-phenylethyl)piperidin-4-yl]propanamide
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)c1cccnc1)O	7V9	~{s}-[2-[3-[[(2~{s})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate
+Cn1c2cc(ccc2nc1COc3ccc(cc3)CC4C(=O)NC(=O)S4)OC	7VA	(5s)-5-({4-[(6-methoxy-1-methyl-1h-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
+Cc1cc(ccc1O)c2ccnc3c2ccc(c3)OC	7VC	4-(7-methoxyquinolin-4-yl)-2-methyl-phenol
+CC(=O)CP(=O)(O)O	7VD	(2-oxopropyl)phosphonic acid
+Cc1cc(ccc1O)c2ccnc3c2ccc(c3)O	7VF	4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol
+B(c1ccc(c(c1)Cl)/C=C/c2cc(cc(c2)O)O)(O)O	7VG	{3-chloro-4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid
+CNC1=C(C(=O)NC(=N1)N)N=O	7VJ	2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3h)-one
+Cc1cc(ccc1O)c2ccnc3c2ccc(c3)Cl	7VL	4-(7-chloranylquinolin-4-yl)-2-methyl-phenol
+CNCCN1CCC(CC1)c2cc(ccn2)CN(C)C(=O)c3cccc(c3)Oc4ccccc4	7VM	n-methyl-n-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide
+CC[C@H](C)[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	7VO	(2s,3s)-3-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid
+Cc1c[nH]c(n1)c2ccccc2	7VP	4-methyl-2-phenyl-1h-imidazole
+CCO/N=C/c1ccc(cc1)OCCCCCN2CCN(C2=O)c3ccncc3	7VR	4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde o-ethyl oxime
+c1ccc2c(c1)/C(=N/N)/C=CN2	7VS	(4e)-4-hydrazinylidene-1,4-dihydroquinoline
+Cc1cc(ccn1)NS(=O)(=O)c2cc(cnc2OC)C3=CCOCC3	7VT	5-[3,6-dihydro-2h-pyran-4-yl]-2-methoxy-n-[2-methylpyridin-4-yl]pyridine-3-sulfonamide
+CC(C)c1c2n(c(n1)N)C[C@@H](CC2)Cc3cc(ccc3F)OC	7VV	(6s)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
+C[C@@H]1[C@@H]2CC[C@]3([C@@H]([C@@]2(CCC1=O)C)CC=C4[C@]3(CC[C@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C	7VX	(4ar,6ar,6as,6bs,8as,9r,12ar,14br)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
+COc1cccc(c1)C[C@H]2CCCNC2	7VY	(3r)-3-[(3-methoxyphenyl)methyl]piperidine
+COC(=O)c1cc(c(cc1Cl)SC2CCCCC2)S(=O)(=O)N	7VZ	methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
+Cc1c(c2c(n1Cc3ccccc3c4ccccc4)cccc2OCC(=O)O)C(=O)C(=O)N	7W0	2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid
+Cc1cnc2ccccc2c1N	7W1	3-methylquinolin-4-amine
+Cc1c(c2c(n1Cc3ccccc3C(F)(F)F)cccc2OCC(=O)O)C(=O)C(=O)N	7W3	2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid
+Cc1c(n2ccccc2n1)N	7W4	2-methylimidazo[1,2-a]pyridin-3-amine
+Cc1c(c2c(n1Cc3cccc(c3)Br)cccc2OCC(=O)O)C(=O)C(=O)N	7W6	2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid
+[H]/N=C(/N)\N1CCC[C@@H](C1)Cc2cccc3c2OCO3	7W7	(3r)-3-[(2h-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide
+Cc1c(c2c(n1Cc3cccc4c3cccc4)cccc2OCC(=O)O)C(=O)C(=O)N	7W9	2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid
+c1cc(c2c(c1)[nH]cn2)N	7WA	1h-benzimidazol-4-amine
+c1ccc2c(c1)/C(=C/3\NC=CS3)/C=N2	7WB	(2z)-2-indol-3-ylidene-3h-1,3-thiazole
+c1cc(c2c(c1)OCO2)C[C@@H]3CCc4cnc(n4C3)N	7WD	(6s)-6-[(2h-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
+C1CN(CCN1C[C@H](CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O	7WF	2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid
+c1c([nH]c(n1)N)C2CC2	7WG	5-cyclopropyl-1h-imidazol-2-amine
+COCC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O	7WH	2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
+COCCNC(=O)Nc1cccc(c1)Cl	7WI	1-(3-chlorophenyl)-3-(2-methoxyethyl)urea
+c1ccnc(c1)c2cc(cc(n2)c3ccccn3)C(=O)NCC[C@@H](C(=O)O)N	7WJ	(2s)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid
+CCOc1ccc(cc1CSc2ccsc2C(=O)NS(=O)(=O)c3ccccc3)C(F)(F)F	7WL	3-{[2-ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-n-(phenylsulfonyl)thiophene-2-carboxamide
+c1ccc2c(c1)ccc(c2C=O)O	7WO	2-hydroxynaphthalene-1-carbaldehyde
+c1c(nc2c(nc(nc2n1)N)N)C=O	7WP	2,4-diaminopteridine-6-carbaldehyde
+COc1ccc(c(c1)C=O)O	7WQ	2-hydroxy-5-methoxybenzaldehyde
+COc1cc(cc(c1O)O)C(=O)O	7WR	3-methoxy-4,5-bis(oxidanyl)benzoic acid
+CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@@H]4[C@@]1(C(=O)[C@@](OC4=O)(C)C(=O)OC)C)C)O)(C)C)C	7WU	methyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-2,4b,7,7,10a,12,12a-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4a,5,6a,9,10,10b-hexahydronaphtho[1,2-h]isochromene-2-carboxylate
+c1ccc(c(c1)C(=O)O)Br	7WV	2-bromobenzoic acid
+CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@]4([C@@]1(C(=O)[C@](C4=O)(C)O)C)C(=O)OC)C)O)(C)C)C	7WX	methyl (5s,7s,8s,9s,10s,13r,14r,16s)-4,4,8,10,12,13,16-heptamethyl-7,16-bis(oxidanyl)-3,6,15,17-tetrakis(oxidanylidene)-2,5,7,9-tetrahydro-1h-cyclopenta[a]phenanthrene-14-carboxylate
+Cc1c-2n(nn1)CCN(c3c2ccc(c3)c4ccc(nc4)N)c5ccc(cc5)Cl	7WY	5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5h-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine
+CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@H]([C@]1(C)C(=O)[C@@](C)(C(=O)OC)O)C(=O)O)C)O)(C)C)C	7X0	(1r,2s,4as,4bs,8as,10s,10as)-2-[(2s)-3-methoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl]-2,3,4b,8,8,10a-hexamethyl-10-oxidanyl-7,9-bis(oxidanylidene)-1,4a,5,6,8a,10-hexahydrophenanthrene-1-carboxylic acid
+COc1cc2c(cc1OCCCN3CCCCC3)ncnc2Nc4c(ccc5c4OCO5)Cl	7X1	n-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
+COc1cc(cc(c1OC)OC)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl	7X2	n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3,4,5- trimethoxyphenyl)pyrimidine-2,4-diamine
+COc1ccc(cc1Cl)Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC	7X3	n'-(3-chloro-4-methoxy-phenyl)-n-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
+c1cc(cc(c1)S(=O)(=O)N)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl	7X4	3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide
+CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl	7X5	n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
+CS(=O)(=O)Nc1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl	7X6	n-[3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
+c1cc(cc(c1)N2CCOCC2)Nc3nccc(n3)Nc4c(ccc5c4OCO5)Cl	7X7	n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
+c1cc(cc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl)C(=O)N	7X8	3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
+C(CCCN)CCC(=O)NO	7XA	7-amino-n-hydroxyheptanamide
+Cc1cc(ccc1NC2=NC(=O)N(C(=O)N2Cc3cc(c(c(c3)F)F)F)CC(=O)NC)OC(F)F	7XB	2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-n-methyl-ethanamide
+[H]/N=C(\N)/Nc1ccc(cc1)C[C@H](C(=O)O)N	7XC	(2r)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid
+c1ccc(cc1)NC(=O)NCc2cccc(c2)c3cccc(c3O)c4cc5cnccc5[nH]4	7XD	1-[[3-[2-oxidanyl-3-(1~{h}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCS)C(=O)O)O	7XF	(2~{s})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid
+Cc1cccc(c1CN2C[C@@H]([C@H](C2)N(C)C)c3ccc(cc3)c4cnn(c4)CC(=O)N)F	7XG	2-[4-(4-{(3s,4r)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1h-pyrazol-1-yl]acetamide
+CC(C)N1CCN(CC1)Cc2ccc(c(c2)F)c3cc(ccn3)NS(=O)(=O)c4cc(cnc4OC)N5CCOCC5	7XH	~{n}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide
+c1ccc(cc1)CNC(=O)Nc2ccc3c(c2)ccnc3N	7XJ	1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(CCO)O)O)O	7XL	[[(2r,3s,4r,5r)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-(2-hydroxyethyl)phosphinic acid
+c1cc2c(ccnc2N)cc1N	7XM	isoquinoline-1,6-diamine
+CC(C)N1CCN(CC1)CC#Cc2cc(cnc2)NS(=O)(=O)c3cc(cnc3OC)C4=CCOCC4	7XN	5-(3,6-dihydro-2~{h}-pyran-4-yl)-2-methoxy-~{n}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide
+CC(C)n1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)nc1Nc5ccccc5	7XO	n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-9-propan-2-yl-purine-2,8-diamine
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N	7XP	(1r,2s,3s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-d-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	7XR	9-cyclopentyl-n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-purine-2,8-diamine
+CC(C)Cc1c2c(ncnc2N3CC(C3)Oc4ccc(cc4)OC)n(n1)C	7XS	4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)-1h-pyrazolo[3,4-d]pyrimidine
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCCC6	7XU	9-cyclohexyl-n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-purine-2,8-diamine
+CC(C)Cc1nnc2n1c(cnc2)OCCc3ccccc3OC	7XV	5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine
+COc1c(cc(cn1)C2=CCOCC2)NS(=O)(=O)c3ccccc3	7XW	n-[5-(3,6-dihydro-2h-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide
+Cn1cc(cc1C(=O)N)C(=O)c2cccc(c2Cl)Cl	7XX	4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide
+c1ccc(cc1)C(CCNS(=O)(=O)c2ccc(s2)CN(Cc3cccc(c3)Cl)C(=O)C(=O)O)c4ccccc4	7XY	{(3-chlorobenzyl)[(5-{[(3,3-diphenylpropyl)amino]sulfonyl}-2-thienyl)methyl]amino}(oxo)acetic acid
+Cn1cc(cc1C(=O)NCCNC(=O)c2cc(cn2C)C(=O)c3cccc(c3Cl)Cl)C(=O)c4cccc(c4Cl)Cl	7Y0	4-[2,3-bis(chloranyl)phenyl]carbonyl-n-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide
+CCCOc1cncc2n1c(nn2)c3cnn(c3c4ccc(cc4)CC)C	7Y1	3-[5-(4-ethylphenyl)-1-methyl-1h-pyrazol-4-yl]-5-propoxy[1,2,4]triazolo[4,3-a]pyrazine
+c1cnn(c1)S(=O)(=O)c2ccc(s2)Br	7Y3	1-(5-bromanylthiophen-2-yl)sulfonylpyrazole
+CCc1ccc(cc1)c2c(cnn2C)c3c4c(ncnc4N5CC[C@H](C5)N(C)C)n(n3)C	7Y4	(3r)-1-{3-[5-(4-ethylphenyl)-1-methyl-1h-pyrazol-4-yl]-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl}-n,n-dimethylpyrrolidin-3-amine
+[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccc(cc2OC3CCNCC3)Cl	7Y6	4-chloranyl-n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)C(=O)NC=N5)O	7Y7	5-hydroxy-n-(4-oxo-3h-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide
+[H]/N=C(\c1ccc(cc1)OCc2cccc(c2)COc3ccc(cc3)C(C)(C)c4ccc(cc4)O)/N	7Y9	4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide
+C[C@@H](C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O	7YA	(2s)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide
+c1c(cc(c(c1[N+](=O)[O-])O)O)/C=C(\C#N)/C(=O)N2CCCOC2	7YC	(e)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile
+[H]/N=C(/N)\NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@H]1C=CC(=O)N1	7YF	(2r)-n-[2-[[(2s)-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide
+CN(C)CCNS(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3cccnc3)N	7YG	3-amino-6-(4-{[2-(dimethylamino)ethyl]sulfamoyl}phenyl)-n-pyridin-3-ylpyrazine-2-carboxamide
+CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)c1cc(cc(c1)I)Br	7YH	2-[[(2r)-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
+CC(C)[C@H](C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O	7YJ	(2r)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide
+C1=CC(=O)N[C@H]1C(=O)O	7YL	(2r)-5-oxidanylidene-1,2-dihydropyrrole-2-carboxylic acid
+Cc1c(c(on1)C)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)[nH]c(n5)N)O	7YM	n-(2-amino-1h-benzimidazol-5-yl)-1-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]phenyl]-5-hydroxypyrazole-4-carboxamide
+CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CC=C4)CCC3)O	7YN	1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea
+C1CC(=O)N[C@H]1C(=O)O	7YO	(2r)-5-oxidanylidenepyrrolidine-2-carboxylic acid
+CO[C@@H](c1ccc(cc1)O)C(=O)NCc2ccc(cc2OCC(=O)N)CN	7YP	(2~{s})-~{n}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanami de
+[H]/N=C(\N)/NCCC[C@@H](C(=O)Nc1ccc(cc1)N(O)O)NC(=O)CNC(=O)[C@H]2CCC(=O)N2	7YR	(2r)-n-[2-[[(2s)-1-[[4-[bis(oxidanyl)amino]phenyl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide
+Cc1c-2c(n(n1)CCO)CN(C(=O)c3ccc(c(c3[C@H](Oc4c(ncc2n4)N)C)Cl)F)C	7YS	(10r)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1h-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one
+COc1cc2c(cc1O)cc([nH]2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c6c5cc([nH]6)C(=O)N7CCc8c7c(c(c9c8cc([nH]9)C(=O)SC)OC)O	7YU	(+)-yatakemycin
+Cc1cc(c(c(c1)C)NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C	7YV	(1s,2s,4r)-n-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid
+Cn1cc2cc(c(cc2n1)Cl)NC3=NC(=O)N(C(=O)N3Cc4cc(c(cc4F)F)F)Cc5ncn(n5)C	7YY	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
+COc1c2cc(cnc2[nH]n1)C#Cc3c(ccc(c3F)NS(=O)(=O)c4cccc(c4)Br)F	7Z0	n-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1h-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide
+CCOc1ccc(c(c1)[C@H](C(=O)N2CCC[C@@H]2c3ccccc3)Nc4ccc5c(c4)ccnc5N)F	7Z1	(2~{r})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{r})-2-phenylpyrrolidin-1-yl]ethanone
+c1cc(cc(c1)N2CCCC2)CN	7Z3	1-(3-pyrrolidin-1-ylphenyl)methanamine
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)C(=O)N=C5)O	7Z4	5-hydroxy-n-(1-oxo-1h-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1h-pyrazole-4-carboxamide
+CCC(=O)Nc1ccc(cc1C(=O)O)N(C)Cc2cccnc2	7Z5	5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid
+c1cc(cnc1)CNc2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl	7Z6	5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one
+c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)[C@H](CO)O	7Z7	(2s)-2,3-dihydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide
+Cc1ccc2c(c1Sc3ccncc3)C(=O)NC(=N2)N	7Z9	2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3h-quinazolin-4-one
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)N2CCC[C@@H]2c3ccccc3)Nc4ccc5c(c4)ccnc5N	7ZA	2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
+Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)Br)C	7ZB	4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]-n-(3,5-dimethylphenyl)pyrimidin-2-amine
+CN(C)Cc1c[nH]c2c1cc(cc2)OC	7ZC	1-(5-methoxy-1h-indol-3-yl)-n,n-dimethyl-methanamine
+c1ccc(cc1)C[C@@H](C(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O)O	7ZD	(2s)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide
+c1cc2c(cccn2)c(c1)[N+](=O)[O-]	7ZE	5-nitroquinoline
+c1ccc(cc1)Nc2ncnc(n2)N	7ZF	n-phenyl-1,3,5-triazine-2,4-diamine
+c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N	7ZG	n-(2-amino-1h-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide
+[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	7ZH	methyl 6-[4-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+CS(=O)(=O)N(CC(=O)N)c1cccc(c1)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N	7ZJ	n-(2-amino-1h-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]phenyl]acetamide
+Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3[C@@H]4CCN(C4)CCN)c5ccc(cc5)I)C	7ZK	2-[(3r)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1h-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
+c1ccc(cc1)Nc2c(cnc(n2)N)Cl	7ZL	5-chloro-n4-phenylpyrimidine-2,4-diamine
+c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(nc3)N)O	7ZM	n-(6-aminopyridin-3-yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide
+c1ccc(c(c1)CCN2C(=NNC2=S)c3cccc(c3)OCCN4CCOCC4)C(=O)O	7ZN	2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1h-1,2,4-triazol-4-yl]ethyl]benzoic acid
+c1cc2c(cc1Nc3c(cncn3)Cl)CC(=O)N2	7ZO	5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one
+c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)Nc5c(cccc5F)F	7ZP	1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea
+C[C@@H](c1ccccc1)NC(=O)CNC(=O)c2cccc(c2)Cl	7ZQ	3-chloranyl-n-[2-oxidanylidene-2-[[(1s)-1-phenylethyl]amino]ethyl]benzamide
+COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-]	7ZR	3,4-dimethoxy-n-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
+c1cc(c(c(c1)C(=O)O)O)C=O	7ZS	3-methanoyl-2-oxidanyl-benzoic acid
+Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3[C@H]4CCN(C4)CCN)c5ccc(cc5)I)C	7ZT	2-[(3s)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1h-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
+C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	7ZU	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5s)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr o-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+c1cc(c(c(c1)Cl)Nc2ccc(cc2CC(=O)O)O)Cl	7ZV	5-hydroxydiclofenac
+CC(C)C[C@@H]1C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)C(F)(F)F	7ZW	2-[(4~{r})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{n}-[4-(trifluoromethyl)phenyl]ethanamide
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O	7ZY	1-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea
+c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-]	801	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}pyridin-3-olate
+c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])F	802	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-4-fluorobenzenolate
+CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C	803	lovastatin
+c1cc(ccc1c2ccc(cc2)C3=NCCCN3)c4cc5ccc(cc5[nH]4)C6=NCCCN6	804	6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1h-indole
+[H]/N=C(/C)\N1CCC(CC1)Oc2ccc3c4ccccc4n(c3c2)Cc5ccc6ccc(cc6c5)C(=N)N	806	7-[[2-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-9h-carbozol-9-yl]methyl]naphthalene-2-carboximidamid
+CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cc3ccc(o3)C(F)(F)F	808	n-[(2s)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1h-inden-2-yl]propane-2-sulfonamide
+Cn1cc(c2c1cc(c3c2C(=O)NC3=O)c4ccccc4Cl)CCO	809	4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2h,6h)-dione
+c1cc(ccc1[C@H](c2ccncc2)O)OCCN3CCCC3	80A	(r)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
+COc1ccc(c(c1)Cl)c2cc3c(cc2F)ncc4c3n(cn4)C5CCNCC5	80C	8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C[C@@H](C(=C5)C(=O)N)SC[C@@H](C(=O)O)N)O)O)O)O)N	80F	(2r)-3-[[(4s)-3-aminocarbonyl-1-[(2r,3r,4s,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4h-pyridin-4-yl]sulfanyl]-2-azanyl-propanoic acid
+c1cc(sc1)c2ccc(cc2)CN	80G	1-(4-thiophen-2-ylphenyl)methanamine
+CN(c1c(cccn1)CNc2ccnc(n2)c3[nH]c4c(n3)ccc(c4F)Cl)S(=O)(=O)C	80H	~{n}-[3-[[[2-(6-chloranyl-7-fluoranyl-1~{h}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{n}-methyl-methanesulfonamide
+CC(C)(C)OC(=O)NCCSC[C@H](C(=O)NCc1cccnc1)Nc2ccccc2	80K	tert-butyl (2-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate
+c1cc2c(cc1Nc3cc(c(cc3Cl)[N+](=O)[O-])NCCC(=O)O)NC(=O)N2	80L	3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid
+c1c(cc2c(c1sc3cc(cc(c3O)sc4cc(cc(c4O)sc5cc(cc(c5O)s2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	80M	sulfonato-thiacalix[4]arene
+[H]/N=C(/Cc1cccc(c1)OC)\NC(=O)c2cccnc2OC3CCNCC3	80O	n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-pyridine-3-carboxamide
+CCN(CC)[C@H]1[C@@H]2C[C@@H]3Cc4c(c(cc(c4C(F)(F)F)[C@@H]5CCCN5)O)C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O	80P	(4s,4as,5ar,12as)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2s)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
+c1cc(ncc1C(F)(F)F)OC2CCNCC2	80Q	2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine
+c1cc2c(cc1Nc3ccc(cc3Cl)[N+](=O)[O-])NC(=O)N2	80R	5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one
+Cn1ccnc1COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N	80U	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
+CC1(CCN(c2c1cc(cc2)C#Cc3ccc(cc3)OS(=O)(=O)F)C(=O)CCC(=O)O)C	80V	4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2h)-yl]-4-oxobutanoic acid
+CC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc2cccc(c2)Cl	80X	n-(3-chlorophenyl)-2-[(2r)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide
+CC1=CC(=CN(C1=O)C)C(=O)N(C[C@H](c2ccccc2)c3ccccn3)[C@H](C4CCOCC4)C(=O)NC	80Z	1,5-dimethyl-~{n}-[(1~{r})-2-(methylamino)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{n}-[(2~{s})-2-phenyl-2-pyridin-2-yl-ethyl]pyridine-3-carboxamide
+CCOC(=O)NC1=Nc2cc3c(cc2C(=O)N1)[nH]c(n3)NC	810	ethyl [2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-6-yl]carbamate
+c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COc4ccc(c(c4)Cl)C5(CN(C5)c6cc(ccn6)C(=O)O)O)Cl	811	2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid
+c1ccc(cc1)CNc2ccc(cc2)OC[C@H]3CCCN3	812	n-benzyl-4-[(2r)-pyrrolidin-2-ylmethoxy]aniline
+C[C@H]1C[C@@H]([C@@H]([C@@H](C=C(C([C@H](/C=C\C=C(\C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccccc3)/C)OC)OC(=O)N)C)C)O)OC	814	[(3r,5s,6r,7r,11s,12z,14e)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
+c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4ccc5ccnc(c5c4)N)nc1	815	thieno[3,2-b]pyridine-2-sulfonic acid [1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrroldin-3-yl]-amide
+Cc1cccc(n1)COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N	816	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
+[H]/N=C(\N)/N/C(=N/[H])/SCc1cccc(c1)C(F)(F)F	817	1-{[n-(1-imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene
+CC[C@@H]1\C=C(\[C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)O)/C	818	18-hydroxyascomycin
+CCOC(=O)NCc1ccc(cc1)n2c(nnc2S)c3cc(c(cc3O)O)C(C)C	819	ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4h-1,2,4-triazol-4-yl}benzyl)carbamate
+[H]/N=C(\N)/NOCC1(CC1)COc2cc(cc(c2)OS(=O)(=O)c3ccccc3S(=O)(=O)C)C	81A	2-methanesulfonyl-benzenesulfonic acid 3-methyl-5-((1-amidinoaminooxymethyl-cyclopropyl)methyloxy)-phenylester
+C1CCC(C1)NC(=O)C(=O)O	81B	(cyclopentylamino)(oxo)acetic acid
+CCN1CCN(CC1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl)OC	81C	n-[5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]prop-2-enamide
+C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C/C=C/[C@H](CC(=O)O1)O)O)O)O)C)O	81E	(1r,3s,5e,7s,11r,13e,15e,17e,19e,21r,23s,24r,25s)-11,24-dimethyl-1,3,7,21,25-pentakis(oxidanyl)-10,27-dioxabicyclo[21.3.1]heptacosa-5,13,15,17,19-pentaen-9-one
+Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cc(cnc4)Br	81F	1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine
+Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC4(N3)CCC(CC4)(c5ccc(cc5)F)O	81G	(1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1h-pyrazol-4-yl)-1'h-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'h)-one
+c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OC(F)(F)F	81H	(2r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol
+c1cc(oc1)C(=O)N2CCN(CC2)[C@@H]3CC(=O)N(C3)c4ccc(cc4)c5ccc(cc5)F	81I	(4~{r})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one
+CCOc1ccc(cc1)C(=O)O	81J	4-ethoxybenzoic acid
+CCCCCC/C=C\CCCCCCCC=O	81K	(z)-hexadec-9-enal
+CCSc1ccc(cc1)C(=O)O	81M	4-(ethylsulfanyl)benzoic acid
+CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)c3c(c(cnc3C)C(=O)O)C	81O	5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid
+CNc1ccc(cc1)C(=O)O	81P	4-(methylamino)benzoic acid
+C([C@H](CS)S)[C@@H](C(=O)O)N	81R	(4r)-4,5-disulfanyl-l-norvaline
+C([C@@H](CS)S)[C@@H](C(=O)O)N	81S	(4s)-4,5-disulfanyl-l-norvaline
+c1ccc2c(c1)nc3cc(c(cc3n2)O)N	81U	3-azanylphenazin-2-ol
+C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)(C(F)F)O	81V	n-[(2s,3s)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide
+c1ccc2c(c1)C(=NNC2=O)CN	81X	4-(aminomethyl)phthalazin-1(2h)-one
+CC(C)Oc1ccc2c(c1)c(n[nH]2)c3ccnc(c3)N4CCOCC4	81Y	3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1h-indazole
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)C[C@H](CC)C(=O)O	820	(2s)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid
+CC(=O)N/C(=C\c1ccc(c(c1)C=O)CC(=O)O)/C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	821	[4-((1z)-2-(acetylamino)-3-{[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxoprop-1-enyl)-2-formylphenyl]acet ic acid
+CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	822	n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-4-[difluoro(phosphono)methyl]phenylalaninamide
+C(CN(CCCS)C(=O)C[C@@H](C(=O)O)N)CS	823	n,n-bis(3-sulfanylpropyl)-l-asparagine
+c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	824	9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione
+c1ccc(cc1)[C@@H](Cc2ccc(c(c2)Br)C(F)(F)P(=O)(O)O)C(=O)c3ccccc3	825	[{2-bromo-4-[(2r)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid
+c1ccc2c(c1)c3c(n2Cc4ccc(cc4)O)CN(CC3)C(=O)c5ccc(cc5)O	826	1,3,4,9-tetrahydro-2-(hydroxybenzoyl)-9-[(4-hydroxyphenyl)methyl]-6-methoxy-2h-pyrido[3,4-b]indole
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N)N)O	827	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+c1cnccc1C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O	829	5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine
+c1cc(cc(c1)Cl)c2c[nH]nc2c3cc([nH]c3)C(=O)N[C@H](CO)c4ccc(c(c4)Cl)F	82A	(s)-n-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide
+Cn1cc(cc1C(=O)Nc2c3c(n[nH]2)C4(CC4)N(C3)C(=O)N[C@H](CN5CCCC5)c6ccccc6)Br	82B	3'-{[(4-bromo-1-methyl-1h-pyrrol-2-yl)carbonyl]amino}-n-[(1s)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1',4'-dihydro-5'h-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxamide
+Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4c(cccc4Br)F	82D	(3r,4s)-1-[(2-bromo-6-fluorophenyl)methyl]-n,n-dimethyl-4-(1-methyl-1h-indol-3-yl)pyrrolidin-3-amine
+COc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N	82E	5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
+CCCN(CCC)C[C@@H]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4c2nccc4	82F	n-[2-[(2s)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5h-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
+Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)[C@H]4CCc5c4c(ccc5)F	82G	(3r,4s)-1-[(1s)-7-fluoro-2,3-dihydro-1h-inden-1-yl]-n,n-dimethyl-4-(1-methyl-1h-indol-3-yl)pyrrolidin-3-amine
+CNC1=C(C(=O)N(N=C1)C)Cl	82I	4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one
+CCc1cc2ccc1CCOC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4cccc(c4)C(=O)N)C)S(=O)(=O)C(C)C	82J	3-{[(2r)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide
+CCCCCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)C[C@H](CC)C(=O)O	82K	(2s)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid
+Cc1c(sc(n1)[C@H](CN)NC(=O)c2ccc([nH]2)c3ccc(c(c3)F)Cl)CO	82M	n-{(1s)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1h-pyrrole-2-carboxamide
+C(#N)[Ni]12[S@+]3[Fe]1456[S@@+]2[Fe]478[Fe]53([S+]67)S8	82N	nickel iron clsuter with cyanide bound
+Cc1ccc(c(c1)C)NC(=O)[C@H]2CN(C[C@@H]2c3nnc(n3C4CC4)C5CC(C5)CC(C)C)C(=O)C	82O	(3r,4r)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-n-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1	82R	(1r,2s,4s,5'r,6r,7s,8r,9s,10r,12s,13s,16s,18s)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol
+C[C@@]12CC[C@@H](C1(C)C)C[C@H]2Br	82S	(1r,2r,4r)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane
+c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCOCC5)OCCO2	82V	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7h-thieno[3,2-b]pyran-7-one
+C[C@@H]1/C=C(/[C@]23[C@@H](C[C@@H](C(=O)O[C@@H]1[C@@H](C)O)OC)C=C[C@@H]4[C@H]2[C@@H]([C@H]([C@H]([C@@H]4O3)OC(=O)c5ccc[nH]5)C)O)\C	82W	[(1~{s},3~{r},4~{r},5~{r},6~{r},7~{s},8~{r},11~{s},13~{s},16~{s},17~{r},18~{e})-13-methoxy-5,17,19-trimethyl-6-oxidanyl-16-[(1~{r})-1-oxidanylethyl]-14-oxidanylidene-2,15-dioxatetracyclo[9.8.0.0^{1,7}.0^{3,8}]nonadeca-9,18-dien-4-yl] 1~{h}-pyrrole-2-carboxylate
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4cc(sc4c3)c5cccc(c5)C(=O)O	82X	3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid
+c1cc(ccc1c2csc3c2OC(=CC3=O)N4CCOCC4)C(=O)NO	82Y	n-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]benzamide
+c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CP(=O)(O[K])O[K]	830	dipotassium (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonate
+CN(C)Cc1ccc(cc1)c2cnn3c2nccc3c4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F	831	n-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
+Cn1c(cc(n1)c2ccc3c(c2)OCO3)N	833	3-(1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-5-amine
+Cc1c(ccc2c1OCCO2)C(=O)Nn3c(c(nc3c4ccccc4Cl)C)C(C)C	834	n-[2-(2-chlorophenyl)-4-methyl-5-(1-methylethyl)-1h-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
+CC1=Nc2cccc(c2C(=O)N1[C@H]3CCC(=O)NC3=O)N	835	(3s)-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione
+Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)[N+](=O)[O-]	836	n-methyl-n-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide
+CCOC(=O)c1ccc(cc1)c2csc3c2OC(=CC3=O)N4CCOCC4	837	ethyl 4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]benzoate
+C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)C)C(C)C)C)OC	838	18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone
+c1ccc(cc1)c2cc3c(c4cc(ccc4n3CCC(=O)O)O)c5c2C(=O)NC5=O	839	3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1h)-yl)propanoic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCc2cc3c([nH]2)N=C(NC3=O)N	83A	n-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-l-glutamic acid
+C[C@@H](CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O	83B	[(3s)-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate
+c1cc(ccc1/C(=C/c2cc(cc(c2)O)O)/F)O	83D	5-[(z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
+CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCC(=O)N2[C@H](C(=CC2=O)OC)Cc3ccc(cc3)c4ccccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C	83E	n,n-dimethyl-l-valyl-l-leucyl-n-[(3s)-6-{(2s)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-l-leucinamide
+C[C@@H]1CN(CCN1C(=O)C(=O)c2c[nH]c3c2c(ccn3)OC)C(=O)c4ccccc4	83G	1-[(2r)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
+CCN1c2cc3c(cc2C(C1=O)(C)C)[nH]c-4c3CCCc5c4[nH]nc5C	83H	8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1h)-one
+CCOC(=O)CC(=O)CCl	83I	ethyl 4-chloranyl-3-oxidanylidene-butanoate
+Cc1ncn(n1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCN(CC4)C(=O)c5ccccc5)c(cn2)OC	83J	1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1h-1,2,4-triazol-1-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
+CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCC(=O)N2[C@H](C(=CC2=O)OC)Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C	83K	n,n-dimethyl-l-valyl-l-leucyl-n-[(3s)-6-{(2s)-2-[(1h-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-l-leucinamide
+c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7N=C8[N]5=C(C=C8)C(=C9N6C(=N4)C=C9)c1ccccc1	83L	10,20-diphenyl-5,15-diaza-porphyrin containing fe
+CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@H](Cc1ccc(cc1)O)C2=NCC[C@H](N2)C(=O)NCC(=O)N)C(=O)O	83M	n-[(1r)-1-{(6s)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-n~2~-tetradecanoyl-l-glutamine
+c1[nH]c(nn1)C[C@@H](C(=O)O)N	83O	(2s)-2-azanyl-3-(4h-1,2,4-triazol-3-yl)propanoic acid
+CNC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)c4c(cco4)CNc5ccc6c(c5)nccn6	83P	(r)-n-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole-3-carboxamide
+CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)CN	83Q	6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine
+c1ccc2c(c1)c3ccccc3s2	83R	dibenzothiophene
+CC(C)c1cc(c(cc1C=O)O)C(=O)N2Cc3ccccc3C2	83S	5-hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CNC)NC(=O)OC(C)C	83T	propan-2-yl n-[(2s,4r)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2h-quinolin-4-yl]carbamate
+c1ccc2c(c1)-c3ccccc3S2=O	83U	dibenzothiophene 5-oxide
+c1ccc(cc1)CC[C@@H](CCC(=O)O)N	83V	(4s)-4-amino-6-phenylhexanoic acid
+CC(=O)c1c(cc(cc1O)O)O	83X	1-[2,4,6-tris(oxidanyl)phenyl]ethanone
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O	83Y	3-o-sulfo-alpha-l-rhamnopyranose
+C[C@@]1([C@H]2[C@@]34C[C@]35CC2(C=CC1=O)[C@H]([C@@]5(O4)C)O)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O	840	platensimycin a1
+c1ccnc(c1)N2CCC(CC2)CNC(=O)N3CCCC3	841	~{n}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CCCCC2)c3cccc(c3)n4cccn4)O	842	n-[(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1h-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide
+CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	843	n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-o-phosphonotyrosinamide
+COc1cc(cc(c1OC)OC)c2cc(cnc2)c3ccc(cc3)N4CCNCC4	844	1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine
+C[C@@H](C(=O)NCc1cccc(c1)N2C(=C3NN=C(O3)c4cccc5c4cc[nH]5)C=C(N2)C(F)(F)F)N	845	n-(3-{5-[5-(1h-indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)-1h-pyrazol-1-yl}benzyl)-l-alaninamide
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)CC5CC5)Cc6ccccc6)O)O	846	[4r--(1alpha,5alpha,7beta)]-3-[(cycloprophylmethyl)hexahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepin] methyl-2-thiazolylbenzamide
+c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(cc(c3[O-])Br)[C@@H](CC(=O)[O-])C(=O)[O-]	847	2-(3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-5-bromo-4-oxidophenyl)succinate
+c1ccc(c(c1)N)OCc2cccnc2	848	2-(pyridin-3-ylmethoxy)aniline
+CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)F	849	2-{4-[3-fluoro-2-(2-methoxyphenyl)-1h-indol-5-yl] piperidin-1-yl}-n-methylethanamine
+c1cc(ccc1n2c(cnn2)C34C5=C6[Fe]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N	84A	p-(5-ferrocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide
+C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N	84D	dibekacin
+C[C@H]1[C@@H](N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC	84F	(3s,4r)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
+C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N	84G	arbekacin
+COC1=CC(=O)N[C@H]1Cc2ccc(cc2)c3ccccc3	84H	(5s)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2h-pyrrol-2-one
+COC(=O)c1cc(c(cc1Cl)SCCc2ccccc2)S(=O)(=O)N	84I	methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate
+C[C@@H](c1ccc(cc1)Br)N[C@@H](c2cccc3c2nc(c(n3)O)O)P(=O)(O)O	84J	[(r)-{[(1s)-1-(4-bromophenyl)ethyl]amino}(2,3-dihydroxyquinoxalin-5-yl)methyl]phosphonic acid
+c1ccn2c(c1)nnc2Sc3ccc4nc(cn4n3)NC(=O)C5CC5	84M	n-{6-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl}cyclopropanecarboxamide
+COC1=CC(=O)N[C@H]1Cc2c[nH]c3c2cccc3	84N	(5s)-5-[(1h-indol-3-yl)methyl]-4-methoxy-1,5-dihydro-2h-pyrrol-2-one
+COC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N	84O	methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate
+Cn1cc(cn1)c2ccc3c(c2)n(nn3)Cc4ccc5nc(cn5n4)NC(=O)C6CC6	84P	n-(6-{[6-(1-methyl-1h-pyrazol-4-yl)-1h-benzotriazol-1-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide
+c1csc2c1nc(nc2N3CCOCC3)c4cc(cc(c4)O)N	84R	3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
+Cn1cc(cn1)c2ccc3nnc(n3c2)C(c4ccc5nc(cn5n4)NC(=O)C6CC6)(F)F	84S	n-(6-{difluoro[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide
+CC(C)[C@H]([C@@H](C(=O)NP(=O)(O)OC[C@@H]1C[C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	84T	[(2s,4s,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-n-[(2s,3r)-4-methyl-2,3-bis(oxidanyl)pentanoyl]phosphonamidic acid
+c1cc(ccc1CNc2cc(cc(c2)O)c3nc4ccsc4c(n3)N5CCOCC5)F	84U	3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
+Cn1cc(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+]	84W	[7-(1-methyl-1h-pyrazol-4-yl)-4-oxo-3,4-dihydrophthalazin-1-yl]methanaminium
+c1ccc(cc1)CNc2cc(cc(c2)O)c3nc4ccoc4c(n3)N5CCOCC5	84X	3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol
+COC(=O)c1cc(c(cc1S(=O)(=O)c2ccccc2)Cl)S(=O)(=O)N	84Z	methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc4c(cccc4s3)c5ccccc5)NC	851	n-{(1s)-1-cyclohexyl-2-oxo-2-[(2s)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl}-n~2~-methyl-l-alaninamide
+CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)O)C(C(=O)O)C(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	852	2-{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid
+CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)O)CC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	853	5-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxymethyl-benzoic acid
+CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc2ccccc2	854	ethyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate
+Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccncc4	855	2-(6-methylpyridin-2-yl)-n-pyridin-4-ylquinazolin-4-amine
+COC(=O)c1ccc(cc1)C(=O)OCCO	856	o 4-(2-hydroxyethyl) o 1-methyl benzene-1,4-dicarboxylate
+CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OC[C@@H]5CCC[N@]5C)Cl	857	4-({2-[(4-chloro-3-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-n-methylpyridine-2-carboxamide
+CC[C@@H]1\C=C(\C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6CC)/C)O)C)OC)OC)C)/C	858	c32-o-(1-ethyl-indol-5-yl)ascomycin
+c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3cccc(c3)O	859	2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide
+c1cnccc1CNc2cc3c(cc2Cl)NC(=O)Nc4cnc(c(n4)OCCCCCO3)C#N	85A	18-chloro-2-oxo-17-[(pyridin-4-ylmethyl)amino]-2,3,11,12,13,14-hexahydro-1h,10h-4,8-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecine-7-carbonitrile
+Cc1cc(cc(c1OC(C)(C)C(=O)O)C)CN2C(=O)N(C=N2)c3ccc(cc3)OC(F)(F)F	85B	2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid
+Cc1ccc(cc1Cl)NC(=O)NCc2ccc3c(c2)CN(C3=O)[C@H]4CCC(=O)NC4=O	85C	1-(3-chloro-4-methylphenyl)-3-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1h-isoindol-5-yl}methyl)urea
+CC1([C@@H]2CC=C([C@H]1C2)CBr)C	85D	(1s,5r)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
+Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+])c4c(cc5ccccc5c4C#N)F	85E	{7-[(5m)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1h-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium
+C([C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N	85F	(2r)-2-azanyl-3-[(2r)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid
+CCNC(=O)CC[C@@H](C(=O)O)N	85G	n-ethyl-l-glutamine
+CCCNC(=O)CC[C@@H](C(=O)O)N	85J	n-propyl-l-glutamine
+Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+])c4c(c(cc(c4F)Cl)OC5CC5)C#N	85K	(7-{(5m)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1h-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium
+C[C@H]1c2ccc(cc2O[C@H]([C@@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O	85M	(2r,3s,4r)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2h-1-benzopyran-7-ol
+c1cc(ccc1c2cc(c3cc(ccc3n2)OS(=O)(=O)F)C(=O)O)Cl	85P	2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC	85R	[(2~{r})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{s},3~{s},5~{r},6~{s})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate
+CC(=O)N1CCN(CC1)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5C6CCOCC6	85S	1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1h-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H](C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#N	85T	4-amino-1-{2-cyano-2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}pyrimidin-2(1h)-one
+[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC/C=C/[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	85U	methyl 6-[4-[[~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+c1cc(ccc1c2cc3c(cc2Cl)[nH]c(n3)O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)C6(CC6)CO	85V	1,4:3,6-dianhydro-2-o-(6-chloro-5-{4-[1-(hydroxymethyl)cyclopropyl]phenyl}-1h-benzimidazol-2-yl)-d-mannitol
+Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6	85X	12-(2-cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole
+c1ccc2cc(ccc2c1)CNC(=O)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	85Y	2'-deoxy-5-{[(naphthalen-2-yl)methyl]carbamoyl}uridine 5'-(dihydrogen phosphate)
+Cc1cc(ccc1C2=C(c3ccc(cc3OC2=O)O)Cc4ccc(cc4)/C=C/C(=O)O)F	85Z	(e)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid
+c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl	860	2-(3-chlorophenyl)-n-(isoquinolin-4-yl)acetamide
+COc1cc(cc(c1OC)OC)CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3	861	3-(3,4,5-trimethoxyphenyl)propyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cn(nn4)c5ccc(cc5)C(=O)C)c(ncn3)N	862	1-[(3~{r})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
+CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OC3CCCC3)OC)(C)C	863	5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3h-pyrazol-3-one
+CC(C)[C@H](NC(=O)OCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	864	(2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl](hydroxy)phosphoryl]propanoic acid
+Cc1ccnc(c1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CC(=O)N6CCNCC6)n7ccnc7	865	7-[2-(1h-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1h-indole-2-carboxylic acid
+CCN(C[C@@](CNC(=O)c1cnn(c1N)c2ccc(cc2)F)(C(F)(F)F)O)C(=O)c3c(cccc3Cl)Cl	866	5-amino-n-[(2s)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1h-pyrazole-4-carboxamide
+[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NCCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	867	methyl 6-[4-[[~{n}-[3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+Cc1c(ccc(c1c2ccc(cc2)OC)S(=O)(=O)C)C(=O)c3cnn(c3O)C(C)(C)C	869	(1-tert-butyl-5-hydroxy-1h-pyrazol-4-yl)[6-(methylsulfonyl)-4'-methoxy-2-methyl-1,1'-biphenyl-3-yl]methanone
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)CCc2ccccc2)O	86A	(2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-hydroxy{(1r)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]oxy}acetic acid
+CC(C)NC[C@@H](COc1ccc(cc1)S(=O)(=O)N)O	86B	4-{(2s)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide
+Cc1c(cc2cnn(c2n1)c3cc(sc3)C(=O)NC4COC4)Nc5c(cccc5Cl)F	86C	4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1h-pyrazolo[3,4-b]pyridin-1-yl]-n-(oxetan-3-yl)thiophene-2-carboxamide
+c1cc(c2c(c1Oc3cc(cc(c3)F)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)F	86D	3-({(1s)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1h-inden-4-yl}oxy)-5-fluorobenzonitrile
+c1cc(c(c(c1)Cl)Cl)S(=O)(=O)Nc2ccc(cc2)c3cc(c4c[nH]nc4n3)C(=O)N[C@@H]5CCNC5	86H	6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{n}-[(3~{r})-pyrrolidin-3-yl]-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxamide
+Cc1c(n2cc(ccc2n1)F)N	86J	6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine
+CC(C)Oc1ccc(cc1Cl)CN	86L	(3-chloranyl-4-propan-2-yloxy-phenyl)methanamine
+COc1cc(c(cn1)OCc2cccn3c2ncc3)C=O	86M	5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde
+c1nc(c2c(n1)n(cn2)c3c(c(c(o3)COP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N)O)O)N	86N	(2s)-5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)furan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N	86P	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
+c1ccc-2c(c1)CCc3c2nnc(c3)N	86Q	5,6-dihydro-benzo[h]cinnolin-3-ylamine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N	86S	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1c2c(cc(c1F)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3	86U	6,7-bis(fluoranyl)-3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
+C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O	86V	(2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3s)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2h-1-benzopyran-7-ol
+c1c2c(cc(c1Cl)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3	86X	6-chloranyl-7-fluoranyl-3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
+C[C@@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O	86Y	(2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3r)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2h-1-benzopyran-7-ol
+COc1cc(c2c(c1)nc(o2)NS(=O)(=O)c3cc(ccc3Cl)Cl)c4cccc(c4)N	870	n-[7-(3-aminophenyl)-5-methoxy-1,3-benzoxazol-2-yl]-2,5-dichlorobenzenesulfonamide
+CC(C)c1cc(c(cc1CC#N)O)C(=O)N2Cc3ccccc3C2	871	2-(5-hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile
+c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCCNC(=O)C2CC(F)(F)F)N	872	(3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one
+c1ccc2c(c1)C(=O)N(C=N2)C[C@@H](C[C@@H]3[C@@H](CCCN3)O)O	873	3-[(2r)-2-oxidanyl-3-[(2r,3r)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one
+CC(C)c1cc(c(c(c1O)CO)O)C(=O)N2Cc3ccccc3C2	874	(2,4-dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone
+CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	876	n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3,4-diphosphonophenylalaninamide
+CCOc1c(c(cc(n1)NC(=O)Cc2cc(c(cc2OC)Br)OC)N)C#N	877	n-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide
+c1cc(c(cc1I)C(=O)O)NC(=O)C(=O)O	878	5-iodo-2-(oxalyl-amino)-benzoic acid
+c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)Oc5cncnc5)Cl	879	6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1h-pyrrol-1-yl}methyl)pyridin-2-amine
+C1CCC2=C(C1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@@H](CCCN3)O	87C	3-[2-oxidanylidene-3-[(2r,3r)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one
+CN1C=C(C(=CC1=O)OC)c2cc(ccc2Oc3ccccc3)NS(=O)(=O)C	87D	n-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
+C[C@H](C(=O)N[C@@H](CO)C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	87E	(2s)-2-[[(2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]-3-oxidanyl-propanoic acid
+c1ccc2c(c1)C(=O)N(C=N2)CCC[C@@H]3C(=O)CCCN3	87F	3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
+CCS(=O)(=O)Nc1ccc(c(c1)c2cn(c3c2C=CNC3=O)C)Oc4ccc(cc4F)F	87G	n-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide
+C[C@H](c1cccc(c1)F)C(=O)Nc2cncc3c2cccc3	87H	(2r)-2-(3-fluorophenyl)-n-(isoquinolin-4-yl)propanamide
+Cn1cncc1[C@](c2ccc3c(c2)c(c(c(n3)OC)c4ccc(cc4)S(=O)(=O)C)Cl)(c5ccc(nc5)C(F)(F)F)O	87J	(s)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
+c1ccc(cc1)[C@@H](C(=O)O)n2cccc2	87L	(2s)-2-phenyl-2-pyrrol-1-yl-ethanoic acid
+CCS(=O)(=O)Nc1ccc(c(c1)c2c3c(c([nH]2)C)C(=O)NN=C3)Oc4ccccc4	87M	n-[3-(7-methyl-1-oxo-2,6-dihydro-1h-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O	87N	[(2~{r},3~{r},4~{s},5~{s},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate 
+CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O	87O	phosphono hexadecanoate
+Cc1c2c(c([nH]1)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C)CCCC2=O	87P	n-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide
+CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C	87R	6-methyl-n-[(1r)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c(cc([nH]1)c2ccccc2Oc3ccc(cc3)Cl)C(=O)N	87S	5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1h-pyrrole-3-carboxamide
+Cn1cc(cn1)c2c[nH]c3c2cc(cc3)Oc4ccc(cc4)NC(=O)CN	87T	n-(4-{[3-(1-methyl-1h-pyrazol-4-yl)-1h-indol-5-yl]oxy}phenyl)glycinamide
+CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)N/C(=C\c3cccc(c3)C(=O)c4ccc(cc4)F)/C(=O)N2	87U	(3z,6z)-3-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]-6-[[3-(4-fluorophenyl)carbonylphenyl]methylidene]piperazine-2,5-dione
+Cc1c(cc([nH]1)c2ccccc2)C(=O)N	87V	2-methyl-5-phenyl-1h-pyrrole-3-carboxamide
+C1CCC(CC1)CCCCC(=O)O	87X	5-cyclohexylpentanoic acid
+C[C@@]1(C(=NC2=C(N1)N=C(NC2=O)N)CO)CCc3ccccc3	87Y	7,8-dihydro-6-hydroxymethyl-7-methyl-7-[2-phenylethyl]-pterin
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O	87Z	[(2~{r},3~{r},4~{s},5~{r},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CCCn1c(c(nc1C2CCNCC2)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CCCCC5	880	cyclohexyl-{4-[5-(3,4-dichlorophenyl)-2-piperidin-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine
+c1cc(ncc1)/C(=N/c2cc(c(cc2)c3oc(cc3)c4c(cc(cc4)/N=C(\N)/c5ncccc5)OC6CCNCC6)OC7CCNCC7)/N	881	n',n''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide
+CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O	882	(3r,5r)-7-[5-(anilinocarbonyl)-3,4-bis(4-fluorophenyl)-1-isopropyl-1h-pyrrol-2-yl]-3,5-dihydroxyheptanoic acid
+CCNC(=O)Nc1[nH]c2c(cc(cc2n1)c3cc(cnc3)F)c4ncccn4	883	1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1h-benzimidazol-2-yl]urea
+Cc1cc(c(cc1Cl)N)S(=O)(=O)[N@@]2CCC[C@H]2C(=O)O	885	1-[(2-amino-4-chloro-5-methylphenyl)sulfonyl]-l-proline
+CC(C)[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)COc3ccc(cc3)C(=O)C(C)C	886	n-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-d-valine
+COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)NC5CC5	887	n-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
+CC(C)CCN1c2ccccc2C(=C(C1=O)C3=NS(=O)(=O)c4ccccc4N3)O	888	3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1h)-one
+CC(C)CC(=O)Nc1c2c([nH]n1)C(N(C2)C(=O)C3CCN(CC3)C)(C)C	889	n-{6,6-dimethyl-5-[(1-methylpiperidin-4-yl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide
+CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5	88A	8-(4-methylsulfonylphenyl)-n-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
+C(CC(=O)O)C(=O)NN	88B	4-diazanyl-4-oxidanylidene-butanoic acid
+CCN(CC)S(=O)(=O)c1cc(ccc1Cl)Nc2nccc(n2)c3ccnc(c3)c4ccc(cc4)NC(=O)NC	88C	1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea
+Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccc[se]3	88D	n-(2-methylphenyl)-nalpha-(selenophene-2-carbonyl)-d-phenylalaninamide
+Cc1cc(nn1c2ccc3ccccc3c2)OCCN4CCOCC4	88E	4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine
+Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccccc3	88G	nalpha-(benzenecarbonyl)-n-(2-methylphenyl)-d-phenylalaninamide
+CCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCCCC[C@H]3C[C@@H](OC3=O)C)O)O	88I	(3~{s},5~{s})-5-methyl-3-[(13~{r})-13-oxidanyl-13-[(2~{r},5~{r})-5-[(2~{r},5~{r})-5-[(1~{r})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one
+Cn1cncc1[C@@](c2ccncc2)(c3ccc4c(c3)c(c(c(n4)N(C)C)c5ccccc5)Cl)O	88J	(s)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1h-imidazol-5-yl)(pyridin-4-yl)methanol
+CCc1ccc(cc1)OP(=O)(O)O	88L	(4-ethylphenyl) dihydrogen phosphate
+CCOC1=CC(=O)N(C=C1c2cc(ccc2Oc3ccc(cc3F)F)NS(CC)(O)O)C	88M	5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1h)-one
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O	88N	{4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid
+CCOC(=O)c1c2c(c([nH]1)C)C(=O)CCC2	88P	ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindole-1-carboxylate
+C1C[C@@](CO[C@@H]1[C@@H]2CC[C@@](CO2)(CO)O)(CO)O	88Q	1,5:6,10-dianhydro-3,4,7,8-tetradeoxy-2,9-bis-c-(hydroxymethyl)-l-manno-decitol
+COc1ccc(cc1OC)CC(C(=O)O)C(=O)O	88R	2-((3,4-dimethoxyphenyl)methyl))propanedioic acid
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N	88S	n-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide
+Cc1nc2ccccc2c(n1)N(C)c3ccc(cc3)OC	88U	n-(4-methoxyphenyl)-n,2-dimethyl-quinazolin-4-amine
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCc3ccc(cc3)CC(C(=O)O)C(=O)O	88V	(4-{2-[({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}carbamoyl)amino]ethyl}benzyl)propanedioic acid
+CCNC(=O)NCCC(=O)Nc1ccc2c(c1)sc(n2)C	88W	n~3~-(ethylcarbamoyl)-n-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide
+CCC1=CC(=O)N=C2N1C=C(N2)C(=O)c3ccccc3	88X	5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1h)-one
+Cc1c(cc([nH]1)c2ccccc2N)C(=O)C	88Y	1-[5-(2-aminophenyl)-2-methyl-1h-pyrrol-3-yl]ethan-1-one
+COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	88Z	n-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
+CN(c1ccc(c(c1)N)OC)C2=CC(=O)Oc3c2cccc3	890	4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one
+C[C@@H](CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C	891	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1s)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)N)C(=O)c4cc(c(c(c4)Br)O)Br	892	3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid (4-sulfamoyl-phenyl)-amide
+CCOc1c(ccc(n1)C(=O)NCc2cc(ccc2OC)OC)C#N	893	5-cyano-n-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)CCc3ccc(s3)Cl	894	2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl	895	2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethenesulfonamide
+CCN(C(C)C)C(=O)c1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C	896	n-ethyl-n-isopropyl-3-methyl-5-{[(2s)-2-(pyridin-4-ylamino)propyl]oxy}benzamide
+Cc1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C(=O)N(CCC(=O)NC(C)(C)C)C(C)C	897	n-[3-(tert-butylamino)-3-oxopropyl]-n-isopropyl-3-methyl-5-{[(2s)-2-(pyridin-4-ylamino)propyl]oxy}benzamide
+C[C@@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl)N(C)C	898	(e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-{4-[(1s)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide
+C[C@H](C(=O)NC(C)C(=O)N)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C	89A	2-[[(2r)-2-[[(1r,2s,3r,4r,5r)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide
+CN(c1ccc(c(c1)O)OC)C2=CC(=O)Oc3c2cccc3	89C	4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one
+CCS(Nc1ccc2c(c1)C3=CN(C(=O)C=C3OCCCCc4cc(cc(c4O2)F)F)C)(O)O	89D	17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2h)-one
+c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4	89E	3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole
+CN1CCN(CC1)[C@H]2Cc3ccccc3Sc4c2cc(cc4)SC	89F	1-methyl-4-[(5~{s})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
+CN1C(=O)C=C(C(=N1)c2ccccc2Oc3ccccc3)OC	89G	5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2h)-one
+CN(C)c1ccc(cc1)c2c(ncnc2N)C#Cc3ccc(nc3)N4CCOCC4	89I	5-[4-(dimethylamino)phenyl]-6-[(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine
+CNC1=CC(=O)N(N=C1c2ccccc2)C	89J	2-methyl-5-(methylamino)-6-phenylpyridazin-3(2h)-one
+C/C(=C\COc1ccccc1CN(C)C(=O)c2ccc(cc2)c3ccco3)/CCC(=O)O	89L	(e)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid
+CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccc3ccccc3n2)NC(=O)C4CCC(CC4)CN	89M	nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-n-octyl-o-[(quinolin-2-yl)methyl]-l-tyrosinamide
+C(/C=C/CO)O	89N	(2e)-but-2-ene-1,4-diol
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4	89O	(5s,5ar,8ar,9r)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5h-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)ccc(n5)C(=O)O	89P	6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid
+CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C(F)(F)F)C	89R	fluorinated heme
+CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccncc2)NC(=O)C3CCC(CC3)CN	89S	nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-n-octyl-o-[(pyridin-4-yl)methyl]-l-tyrosinamide
+COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4c2cccc4	89U	10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one
+CC(C)([C@@H](C(=O)O)O)O	89V	(2s)-2,3-dihydroxy-3-methylbutanoic acid
+c1ccc(cc1)C(=O)N[C@@H]2CCCNC2	89W	n-[(3r)-piperidin-3-yl]benzamide
+CC(C)C[C@@H](C(=O)N[C@H](c1ccccc1)C(=O)NO)NC(=O)NCc2ccccc2	89X	(2s)-4-methyl-n-[(1r)-2-(oxidanylamino)-2-oxidanylidene-1-phenyl-ethyl]-2-[(phenylmethyl)carbamoylamino]pentanamide
+C1[C@@]([C@H](C(=O)O1)O)(CO)O	89Y	(3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one
+Cc1ccccc1c2cc(cc(c2)C(F)(F)F)[C@@]3(c4c([nH]nc4OC(=C3C#N)N)C)C(C)C	8A0	(4~{s})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile
+C[C@](CO)(C(=O)O)O	8A1	(2s)-2,3-dihydroxy-2-methylpropanoic acid
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)CC(F)(F)F)C(C)C)C#N)N	8A3	4-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{n}-methyl-~{n}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide
+Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)c(c(c(n4)OC)Cc5ccc(cc5)n6cccn6)Cl)O	8A4	(r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methanol
+COc1ccc(cc1OC)CN2CCOCC2	8A5	4-[(3,4-dimethoxyphenyl)methyl]morpholine
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)Cc5ccccc5)C(C)C)C#N)N	8A6	4-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{n}-methyl-~{n}-(phenylmethyl)benzenesulfonamide
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5	8A7	(5r)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione
+CC(=O)N(c1ccc2cc3ccccc3cc2c1)c4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)O)O)NC(=NC5=O)N	8AA	8-[acetyl(anthracen-2-yl)amino]-2'-deoxy-5'-o-(dihydroxyphosphanyl)guanosine
+Cc1cccc(n1)N2CCN[C@H](C2)C	8AB	(3s)-3-methyl-1-(6-methylpyridin-2-yl)piperazine
+C(CCCC(=O)O)CCCN	8AC	8-aminooctanoic acid
+CN(C)CCCCNC(=O)c1cccc2c1nc3ccccc3c2N	8AD	9-amino-(n-(2-dimethylamino)butyl)acridine-4-carboxamide
+c1ccc-2c(c1)Cc3c2cc(cc3)Nc4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)O)O)NC(=NC5=O)N	8AF	[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-(9~{h}-fluoren-3-ylamino)-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
+CC(=O)N(c1ccc2cc3ccccc3cc2c1)C4NC5=C(N4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(NC5=O)N	8AG	8-[acetyl(anthracen-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate)
+Cc1nc(c2c(n1)n(c(n2)C)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	8AH	5'-o-(dihydroxyphosphanyl)-2,8-dimethyladenosine
+CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl	8AJ	2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-n,n-dimethylethan-1-amine
+Cc1cc(no1)C(=O)N(C2CC2)C(C)C	8AK	n-cyclopropyl-5-methyl-n-(propan-2-yl)-1,2-oxazole-3-carboxamide
+CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cn(nc4OC)C	8AM	n-[(3r,4r)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1h-pyrazol-4-yl)amino]-9-(propan-2-yl)-9h-purin-2-yl}pyrrolidin-3-yl]propanamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O)N	8AN	3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate)
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)Cc5ccccc5)C(C)C)C#N)N	8AO	(4~{s})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{h}-pyrano[2 ,3-c]pyrazole-5-carbonitrile
+c1ccc(cc1)CNc2cccnc2N	8AP	n~3~-benzylpyridine-2,3-diamine
+O[As](=O)([O-])[O-]	8AR	hydrogen arsenate
+C1COCCN1CCC(=O)O	8AS	3-(morpholin-4-yl)propanoic acid
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4Cl)C(C)C)C#N)N	8AU	(4~{s})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5- carbonitrile
+C1CCC(CC1)[C@@H](CN)N	8AV	(1s)-1-cyclohexylethane-1,2-diamine
+CC[C@H](C)C(=O)N[C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc2cncs2)Cc3ccccc3	8AW	1,3-thiazol-5-ylmethyl [(2r,5r)-5-{[(2s)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)Cl)(F)F	8AX	6-{[(3r,4r)-4-(2-{[2-(3-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC(C)c1ccc2c(c1)sc(n2)C[C@@H](C(=O)O)N	8AY	3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanine
+C1=Nc2c(nnn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)[C@H](N1)O	8AZ	8-aza-nebularine-5'-monophosphate
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4C#N)C(C)C)C#N)N	8B0	(4~{s})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)CCN3CCOCC3)C4CCCCC4	8B1	n-[(1s)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide
+C[C@H](c1ccc(cc1)N2CCOCC2)N	8B2	(1r)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4F)C(C)C)C#N)N	8B3	(4~{s})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5- carbonitrile
+C[C@@]1([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)OP(=O)(O)O)c2cnc3n2ncnc3N)F	8B4	(1s)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-d-ribitol
+c1coc2c1c(c3c(c2)OC(=O)C=C3)O	8B6	4-oxidanylfuro[3,2-g]chromen-7-one
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O)O	8B7	6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranose
+CC(=O)N[C@@H]1[C@H](C[C@H](O[C@@H]1O)CO)O	8B9	2-acetamido-2,4-dideoxy-alpha-d-xylo-hexopyranose
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3C[C@@H]([C@H](O3)COP(=O)(=O)O)O)N	8BA	8-bromo-deoxyadenosine-5'-monophosphate
+C1CC(CCC1C(=O)N/C(=C/S)/N)C(=O)O	8BB	trans-4-{[(e)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid
+CC(=O)Nc1cccc(c1C(=O)O)F	8BC	2-acetamido-6-fluorobenzoic acid
+COc1ccccc1\C=N/OCCC(=O)O	8BD	3-({[(1z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid
+C[C@H](CCC[C@H](c1ccc(cc1)O)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8BF	(1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{r})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{ a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CC(C)CN(C1(CC1)[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)S(=O)(=O)c5ccc(cc5)N	8BG	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2s)-1-(1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}cyclopropyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate
+C[C@@H]1CC(C[C@H]1NCc2cc[nH]n2)(C)C	8BI	(1r,2r)-2,4,4-trimethyl-n-[(1h-pyrazol-3-yl)methyl]cyclopentan-1-amine
+CC/N=C\1/N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	8BJ	(2z,3ar,5r,6s,7r,7ar)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+C[C@H](CCCC(=O)c1ccc(cc1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8BL	(5~{r})-5-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl)cyclohexyl idene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one
+CC(C)n1cnc2c1nc(nc2Nc3ccc(cc3)N4CCN(CC4)C)N[C@H]5CCN(C5)C(=O)C	8BM	4-(4-{[2-{[(3s)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9h-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
+Cc1[nH]c2cc(cc(c2n1)O[C@H]3CCOc4c3c(cc(c4)F)F)C(=O)N(C)C	8BN	tegoprazan
+C[C@H](CCC[C@@H](c1ccc(cc1)O)OC)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8BO	(1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{s})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cnn(c4)C	8BP	n-[(3r,4r)-4-fluoro-1-{6-[(1-methyl-1h-pyrazol-4-yl)amino]-9-(propan-2-yl)-9h-purin-2-yl}pyrrolidin-3-yl]propanamide
+c1cc(cc(c1)F)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O	8BQ	7-[(3s,4r)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	8BR	8-bromo-adenosine-5'-monophosphate
+CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C)Nc4cn(nc4OC)C	8BS	n-[(3r,4r)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1h-pyrazol-4-yl)amino]-9-methyl-9h-purin-2-yl}pyrrolidin-3-yl]propanamide
+CS(=O)(=O)NC1CCCC1	8BT	n-cyclopentylmethanesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([C@H](F)P(=O)(O)OP(=O)(O)O)O)O)O)N	8BU	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(s)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
+CC(C)Oc1ccccc1C(=O)N	8BV	2-[(propan-2-yl)oxy]benzamide
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3Cl)(F)F	8BX	6-{[(3r,4r)-4-(2-{[2-(2-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC(C)Oc1cc2c(cccc2c3ccc(cc3)C#N)cc1C(=O)N	8BY	5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide
+Cc1cccc2c1[C@@H](CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO	8BZ	n-(2-hydroxyethyl)-n,2-dimethyl-8-[[(4r)-5-methyl-3,4-dihydro-2h-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide
+CCCC[C@@H](CC[C@@H](c1ccc(cc1)O)OC)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8C0	(1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},3~{s})-3-[(3~{s})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CC(C)Oc1cc2c(ccnc2cc1C(=O)N)O[C@@H]3CCCNC3	8C1	4-{[(3r)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide
+Cc1c(c(n[nH]1)C)CNC2CCCCC2	8C2	n-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]cyclohexanamine
+CCN(CC)CCCNC(=O)CN1C(=O)c2cc3c(n2C(=N1)C)ccs3	8C3	n-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide
+CONC(=O)C1=CN(c2c(cnc(n2)Nc3ccc(cc3)CCN4CCCC4)C1=O)C5CCCCC5	8C5	8-cyclohexyl-n-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([C@@H](P(=O)(O)O)Cl)O)O)O)N	8C6	[(r)-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-chloranyl-methyl]phosphonic acid
+CCCC[C@@H](CCC(=O)c1ccc(cc1)O)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8C9	(4~{s})-4-[(1~{r})-1-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one
+c1ccc(cc1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3	8CA	9-benzyl-2,3,4,9-tetrahydro-1h-carbazole-8-carboxylic acid
+Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O	8CB	(1'r,2'r)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol
+CNC(=O)c1cc(c[nH]1)c2ccncc2	8CC	n-methyl-4-pyridin-4-yl-1h-pyrrole-2-carboxamide
+CC(C)Oc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)cc1C(=O)N	8CD	1-{[(2s)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide
+Cc1c(n2ccc3c(c2n1)N[C@@H]([C@H]([C@@H]3OCCOC)O)c4ccccc4)C	8CE	soraprazan
+CCC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	8CF	n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
+CC[C@H]1[C@H](NC(=O)[C@H]1F)COc2c3cc(c(cc3ccn2)C(=O)N)OC	8CG	1-{[(2s,3s,4s)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide
+C[C@@H]1CCCN([C@@H]1C(=O)OC)S(=O)(=O)C	8CH	methyl (2s,3r)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate
+Cc1c(nc(nc1N2CCc3ccccc3[C@H]2C)Nc4ccc(cc4)F)C	8CK	n-(4-fluorophenyl)-4,5-dimethyl-6-[(1r)-1-methyl-3,4-dihydro-1h-isoquinolin-2-yl]pyrimidin-2-amine
+c1ccc(cc1)Cl	8CL	chlorobenzene
+c1cc2c(c(c1)O)OC(=O)C=C2	8CM	8-hydroxycoumarin
+C[C@H]1CCCCN1C(=O)[C@@H](C)N	8CN	(2r)-2-amino-1-[(2s)-2-methylpiperidin-1-yl]propan-1-one
+CC(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	8CO	n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O	8CP	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine
+CC(C)(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	8CR	n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide
+C1[C@@H]2[C@@H](C(=O)[C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)O[P@@](=O)(O1)O	8CS	(2r,4ar,5ar,11ar,12as)-8-amino-2-hydroxy-4a,5a,9,11,11a,12a-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridine-10,12(4h,6h)-dione 2-oxide
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C/C=C\C=C(/C)\C=C/C=C(\C)/C=C/[C@H]2C(=CCCC2(C)C)C)\C)/C	8CT	(6'r,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene
+CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Br)c3ccc(cc3)OC	8CU	n-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide
+[H]/N=C(/N)\N/C(=N/[H])/NCCc1ccccc1	8CV	n-(2-phenylethyl)imidodicarbonimidic diamide
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNC[C@@H](c3cccc(c3)F)F	8CX	6-{[(3r,4r)-4-(2-{[(2r)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O	8CY	ruthenocenyl-7-aminodesacetoxycephalosporanic acid, bound form
+Cc1c(scn1)C(=O)N(C)[C@@H](C)C2CC2	8CZ	n-[(1s)-1-cyclopropylethyl]-n,4-dimethyl-1,3-thiazole-5-carboxamide
+CC1([C@@H]2CC[C@H](C[C@H]2c3c(cc(cc3O1)C(C)(C)CCCCCCN=C=S)O)CO)C	8D0	(6~{a}~{r},9~{r},10~{a}~{r})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol
+[H]/N=C(/c1c(nn(n1)c2cccc(c2)C)N)\NCc3ccccc3OC	8D1	5-amino-n-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2h-1,2,3-triazole-4-carboximidamide
+CC1=CC[C@@H]2[C@@H](C1)c3c(cc(cc3OC2(C)C)C(C)(C)CCCCCCBr)O	8D3	(6ar,10ar)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
+c1ccc(cc1)c2c(nn[nH]2)C(=O)O	8D4	5-phenyl-1h-1,2,3-triazole-4-carboxylic acid
+c1cnccc1c2c[nH]c(c2Cl)C(=O)N	8D6	3-chloranyl-4-pyridin-4-yl-1h-pyrrole-2-carboxamide
+CCCC(CCC)COc1cccc(c1)[C@@H](CCN)O	8D7	(1r)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol
+C[C@H](C1CC1)NC(=O)C2C=CC=NC2=O	8D8	(3s)-n-[(1r)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide
+C1[C@H]([C@@H](O[C@@H]1N2C3=NCNC(=C3NC2=O)N)CO)O	8DA	8-oxodeoxyadenosine
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N	8DD	8-oxo-7,8-dihydro-2'-deoxy-adenosine-5'-diphosphate
+c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4	8DE	2,2-diphenyl-~{n}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	8DG	8-oxo-2'-deoxyguanosine-5'-triphosphate
+CC(C)N(C)S(=O)(=O)N1CCNC(=O)C1	8DH	n-methyl-3-oxo-n-(propan-2-yl)piperazine-1-sulfonamide
+c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)OCO5	8DJ	5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(pyridin-2-yl)methyl]benzamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N	8DM	n-(4-aminobenzene-1-carbonyl)-l-glutamic acid
+Cc1cc(cc(c1)n2cc(nn2)C)C	8DN	1-(3,5-dimethylphenyl)-4-methyl-1h-1,2,3-triazole
+Cc1cc2c(cc1N)[n+](c3c(n2)C(=O)NC(=O)N3)CC(=O)[C@H]([C@H](COP(=O)(O)O)O)O	8DP	8-demethyl-8-aminoriboflavin-5'-phosphate
+c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4	8DQ	8-phenyl-2-piperazin-1-yl-chromen-4-one
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cccc3c2nsn3	8DR	(s)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid
+c1cc(ccc1CCNC(=O)c2cc3c(s2)cncc3Cl)Cl	8DS	4-chloranyl-n-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide
+CC(=O)NC/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	8DT	 5-(3-(acetamide-n-yl)-1-propen-1-yl)-2'-deoxyuridine
+COc1ccc(cc1)c2c(noc2NC(=O)C3CC3)c4cc(c(cc4O)O)Cl	8DU	n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C6CC6	8DV	(r)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1h-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine
+C1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O	8DX	(2r,3ar,6s,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-6-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
+C[C@@H](CN(C)C)S(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3ccccc3)N	8DY	3-amino-6-(4-{[(2s)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-n-phenylpyrazine-2-carboxamide
+COc1cc(cc(c1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)c3cc(c(c(c3)OC)OC)OC	8DZ	(1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)
+c1cc(ccc1N/C=C\2/c3c(ccc4c3scn4)NC2=O)S(=O)(=O)N	8E1	4-{[(z)-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide
+CC(C)(C)OC(=O)COCCOCCOCCOCCNC(=O)COc1ccc(cc1)N2CCN(CC2)CCn3c4c(cn3)c5nc(nn5c(n4)N)c6ccco6	8E2	preladenant conjugate psb-2113
+c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(o3)CNCC4)F	8E3	6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide
+CCC[C@@H](CCO)COc1cccc(c1)[C@@H](CCN)O	8E4	(3s)-3-({3-[(1r)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol
+c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CCNC4)F	8E6	6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide
+CCCCCCCCCCNCCS	8E7	2-(decylamino)ethane-1-thiol
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N	8E8	1-[(3~{r})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
+Cc1cccc(c1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)O	8E9	1-amino-4-(3-methylphenyl)amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
+CCCCCCCCCCNCCSSCc1ccc(cc1)Cl	8EA	n-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine
+c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CNCC4)F	8EC	6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide
+Cc1ncc(c(n1)N)CN2CS[C@H](C2=C)CCOP(=O)(O)OP(=O)(O)O	8EF	2-[(5s)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate
+Cc1ccc(cn1)C(=O)N	8EJ	6-methylpyridine-3-carboxamide
+c1cc(cc(c1)CSC2=NC(=C(C(=O)N2)C#N)c3cccs3)CC(=O)O	8EK	2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1h-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid
+Cc1ncc(c(n1)N)CN2CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O	8EL	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2h-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+CCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccco6)C(=O)c7ccccc7	8EM	n-[(furan-2-yl)methyl]-n-(4-oxo-2-propyl-3-{[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide
+Cc1ccc(cc1c2ccc3nc(cn3c2)NC(=O)C)NC(=O)c4cccc(c4)C(F)(F)F	8EN	~{n}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
+Cc1ncc(c(n1)N)C[N+]2=C([C@@H](SC2)CCOP(=O)(O)OP(=O)(O)O)C	8EO	2-[(5s)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
+C1[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O	8EP	(2r,3ar,6r,7s,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
+CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O	8EQ	3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid
+CCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccccc6)C(=O)c7cccs7	8ES	n-benzyl-n-(2-ethyl-4-oxo-3-{[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide
+c1cc2c(cccn2)c(c1)NC(=O)c3cccnc3	8ET	~{n}-quinolin-5-ylpyridine-3-carboxamide
+CCP(=O)(O)OCc1ccc(cc1)[N+](=O)[O-]	8EU	ethyl-[(4-nitrophenyl)methoxy]phosphinic acid
+CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N	8EV	3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile
+CC(=CC(=O)O)CC(=O)O	8EW	3-methylpent-2-enedioic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O)O	8EX	2-acetamido-2-deoxy-4,6-di-o-sulfo-beta-d-galactopyranose
+Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N	8EY	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile
+C[C@H]1CCCC[C@H]1C(=O)O	8EZ	(1~{r},2~{s})-2-methylcyclohexane-1-carboxylic acid
+Cc1ccc(cc1)[C@H](C)Nc2ccc3c(c2)N([C@H](C(=O)N3C)C)C4CC4	8F0	(3~{s})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{s})-1-(4-methylphenyl)ethyl]amino]-3~{h}-quinoxalin-2-one
+Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N	8F1	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile
+c1ccc(cc1)[C@@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O	8F2	(r)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1h-2-carbonyl)benzenesulfonamide
+c1ccc(cc1)[C@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O	8F3	4-[[(1~{s})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]benzenesulfonamide
+C1CCNC(=O)[C@H](C1)N	8F4	(3~{s})-3-azanylazepan-2-one
+C[C@@H]1C2=C(C(C(=N2)/C=C\3/[C@H]([C@](C(=N3)/C(=C\4/[C@H]([C@]([C@@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)/CC=C)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O	8F5	3-[(1~{r},2~{s},3~{s},4~{z},7~{s},8~{s},9~{z},15~{r},17~{r},18~{r},19~{r})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid
+C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)N[C@H](C)c4ccccc4)C	8F6	(3~{r})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{r})-1-phenylethyl]amino]-3~{h}-quinoxalin-2-one
+Cc1cc(nc2c1ccc(c2)CCc3cc(cc(c3)C#N)CNC)N	8F7	3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile
+Cc1ccc(cc1)[C@H](C)Nc2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CC4	8F9	(3~{r})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{s})-1-(4-methylphenyl)ethyl]amino]-3~{h}-quinoxalin-2-one
+C[C@H]1[C@@H](C(N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C	8FB	(3~{s},4~{r},5~{s})-5-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[(3~{s},5~{s})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-4-methyl-pyrrolidine-2-carboxylic acid
+Cc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)N(C(C(=O)N3C)(C)C)C4CC4	8FC	~{n}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide
+Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N	8FD	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2s)-2-(methylamino)propyl]benzonitrile
+CCCC[C@@H](CCC(=O)c1ccc[nH]1)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8FF	(4~{s})-4-[(1~{r})-1-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]ethyl]-1-(1~{h}-pyrrol-2-yl)octan-1-one
+CC(=O)N(c1ccc-2c(c1)Cc3c2cccc3)c4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(NC5=O)N	8FG	n-(5'-phospho-2'-deoxyguanosin-8-yl)-2-acetylaminofluorene
+C(C(Cl)(Cl)Cl)O	8FH	2,2,2-tris-chloroethanol
+CN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)[C@@H]4CCCO4	8FK	(2~{s})-~{n}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide
+Cc1ncc(c(n1)N)CN2[C@@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)O	8FL	2-[(2r)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2h-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc(cc5)OC	8FM	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1ccc2c(c1)C(=O)N(c3ccc(cc3S2)c4nc(on4)c5cnccn5)C6CC6	8FN	5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one
+Cc1csc(n1)[C@H]2CCCN2C(=O)c3cccc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CN(CC(C)C)S(=O)(=O)c5ccc(cc5)OC)O	8FP	n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3-[(2r)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide
+[H]/N=C(\CF)/NCCC[C@@H](c1nc2c(n1C)cccc2OC)NC(=O)c3cccc4c3C(=O)NC4	8FQ	~{n}-[(1~{s})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide
+Cn1cc(nc1)Nc2c3cc(ccc3nc(n2)N4CCC(CC4)N)Cl	8FR	2-(4-azanylpiperidin-1-yl)-6-chloranyl-n-(1-methylimidazol-4-yl)quinazolin-4-amine
+C#Cc1ccc(cc1F)F	8FS	1-ethynyl-2,4-difluorobenzene
+[H]/N=C(\CF)/NCCC[C@@H](c1nc2c(n1C)cccc2OC)NC(=O)c3cccc4c3C(=O)N(C4)CC	8FT	2-ethyl-~{n}-[(1~{s})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{h}-isoindole-4-carboxamide
+Cc1cc(n[nH]1)Nc2c3cc(ccc3nc(n2)C(=O)N4CCN[C@@H](C4)C)Cl	8FU	[6-chloranyl-4-[(5-methyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3r)-3-methylpiperazin-1-yl]methanone
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(nc(nc4[nH]3)C)c5ccnc6c5cccc6	8FV	7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9h-pyrimido[4,5-b]indole
+[H]/N=C(\C)/NCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3cccc4c3C(=O)N=C4	8FW	~{n}-[(1~{s})-1-(1~{h}-benzimidazol-2-yl)-4-(ethanimidoylamino)butyl]-3-oxidanylidene-isoindole-4-carboxamide
+C[C@@H]1CN(CCN1)C(=O)c2nc3ccc(cc3c(n2)Nc4cc([nH]n4)C5CC5)Cl	8FX	[6-chloranyl-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3r)-3-methylpiperazin-1-yl]methanone
+CNc1nc2c(c(c[nH]2)c3ccc4c(c3)cccn4)c(n1)NCc5ncccn5	8FY	n~2~-methyl-n~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+c1cc(cnc1)Oc2ccc(o2)CN	8FZ	(5-pyridin-3-yloxyfuran-2-yl)methanamine
+c1cc(cc(c1)C(=O)O)C(=O)O	8G0	benzene-1,3-dicarboxylic acid
+c1cc2c(c(c1)C#N)[C@]3(CC2)NC(=O)C4=C5CCN(C(=O)C5=C(C(=O)N34)O)Cc6ccc(c(c6)Cl)F	8G1	(3r)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2h-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile
+COC(=O)c1ccc(cc1)C[NH3+]	8G2	(4-methoxycarbonylphenyl)methylazanium
+Cc1cc2nc(cc(n2n1)O)CCc3nc4ncccn4n3	8G3	2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-ol
+c1cc(c(cc1CN2CCC3=C4C(=O)N([C@]5(N4C(=O)C(=C3C2=O)O)CC[C@H]6[C@@H]5C6)CCN7C(=O)C=CC7=O)Cl)F	8G4	(1s,2s,5r)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione
+c1c(nc(s1)N)[C@H]2CC(=O)OC23CCCCC3	8G5	(4r)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
+Cc1cc2nccc(n2n1)c3ccc(cc3)Cl	8G6	7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine
+CC(=C[C@@H]1C[C@](OC2=C1C(=O)N(c3c2cccn3)C)(C)CCO)C	8G7	(2r,4s)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one
+Cn1cnc2c1nc(nc2)Cl	8G8	2-chloranyl-9-methyl-purine
+C[Se]C[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O	8GA	5-se-methyl-5-seleno-alpha-d-ribofuranose
+CC(=O)c1cc(cc(c1O)CCl)Cl	8GB	1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone
+C[n+]1cccc(c1)C(=O)N	8GC	3-carbamoyl-1-methylpyridin-1-ium
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O	8GD	2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate)
+c1ccc2c(c1)cc([nH]2)c3ccc(cc3)S(=O)(=O)N	8GE	4-(1~{h}-indol-2-yl)benzenesulfonamide
+Cc1nccc(n1)N	8GF	2-methylpyrimidin-4-amine
+C[Se]C[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O	8GG	5-se-methyl-5-seleno-beta-d-ribofuranose
+c1cnn(c1)Cc2ccc(cc2)c3ccc(cc3)S(=O)(=O)N	8GH	4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
+CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)O	8GI	1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea
+C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C	8GJ	(2r)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+c1ccc2c(c1)cccc2C(=O)NO	8GK	~{n}-oxidanylnaphthalene-1-carboxamide
+C(C[C@](C(=O)O)(N)O)C(=O)O	8GL	(2s)-2-azanyl-2-oxidanyl-pentanedioic acid
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)O	8GM	[(2r,3s,4r,5r)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC(=O)Nc1cc(ccc1N2CC[C@H](C2)N(C)C)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5	8GN	~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{r})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide
+CCN1c2c(ccc(n2)C)C3=C(C1=O)[C@@H](C[C@](O3)(C)CCO)C=C(C)C	8GO	(2r,4s)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one
+C1CC1NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	8GP	n-[(cyclopropylamino)(oxo)acetyl]-beta-d-glucopyranosylamine
+c1c2cc(c3c1CCC(=O)N3)OC/C=C/CO[C@H]4C[C@H](N(C4)c5cc(n6c(n5)c(cn6)C#N)N2)CO	8GQ	pyrazolo-pyrimidine macrocycle
+COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4cccc5)/C2=O	8GR	(2z)-2-(1h-indol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
+CC(C)n1cnnc1c2cccc(n2)N3Cc4ccccc4C3=O	8GS	2-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1h-isoindol-1-one
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O	8GT	8-oxo-guanosine-5'-triphosphate
+COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4nccc5)/C2=O	8GU	(2z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1h-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one
+CC(C)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OC[C@@H]5CN(CCO5)C	8GV	6-{[(2s)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1h-isoindol-1-one
+COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4ccnc5)/C2=O	8GX	(2z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1h-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one
+C[C@H](CO)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OC(C)C	8GY	2-(6-{4-[(2r)-1-hydroxypropan-2-yl]-4h-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1h-isoindol-1-one
+CCCc1cc2cnc(nc2c(c1)OC3CCNCC3)Nc4ccc5cn[nH]c5c4	8H0	n-(1h-indazol-6-yl)-8-piperidin-4-yloxy-6-propyl-quinazolin-2-amine
+COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C@H](Cc5ccccc5)N	8H1	2-(5-{[(2s)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine
+c1cc2c(cc1N)cn[nH]2	8H4	1~{h}-indazol-5-amine
+CC(=C[C@@H]1n2c3cc(ccc3c4c2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)OC)C	8H5	verruculogen
+CCC(=O)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O	8H6	s-[2-[3-[[(2r)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2r)-2-methyl-3-oxidanylidene-pentanethioate
+c1cc(c(cc1O)F)C#N	8H8	2-fluoro-4-hydroxybenzonitrile
+C[C@@H](C(=O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	8HB	(2~{s})-2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid
+c1cc2ccc(nc2c(c1)O)C(=O)O	8HC	8-hydroxyquinoline-2-carboxylic acid
+Cc1coc(n1)CN(C)C(=O)c2cccc(c2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)CO)O	8HD	n~3~-{(2s,3r)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-n~1~-methyl-n~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide
+c1cc(ccc1C#N)c2ccc(cc2)S(=O)(=O)N	8HE	4-(4-cyanophenyl)benzenesulfonamide
+CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccc(cc4)C(C)(C)O	8HF	propyl (2~{r})-4-[4-chloranyl-2-[4-(2-oxidanylpropan-2-yl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O	8HG	2'-deoxy-8-oxoguanosine
+CCNc1cc(nc2n1ncc2)c3cccnc3	8HH	~{n}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine
+CC(C)n1c(c(c(c1C(=O)Nc2ccc(cc2)S(=O)(=O)N)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O	8HI	(3r,5r)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1h-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid
+c1cc2c(cc1O)NC(=O)CC2	8HJ	7-oxidanyl-3,4-dihydro-1~{h}-quinolin-2-one
+c1cc(cnc1)c2ccc(cc2)S(=O)(=O)N	8HK	4-pyridin-3-ylbenzenesulfonamide
+CCCCCCCc1cc(cc(c1C(=O)O)O)O	8HL	2-heptyl-4,6-bis(oxidanyl)benzoic acid
+COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)CC5CCOCC5)-c6ncnn6C2=O	8HM	6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one
+c1cc2c(cc1Nc3cc(nc4n3ncc4C#N)N5CCC[C@H]5CC(=O)O)CCC(=O)N2	8HN	2-[(2~{s})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid
+Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3	8HO	2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid
+c1cc(ccc1CN2c3c(c4c(s3)CCCC4)-c5ncnn5C2=O)Cl	8HP	6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one
+c1cc2c(ccnc2c(c1)O)C(=O)O	8HQ	8-hydroxyquinoline-4-carboxylic acid
+CCCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccccc4	8HR	propyl 4-(4-chloranyl-2-phenyl-quinolin-7-yl)carbonylpiperazine-1-carboxylate
+CC1(O[C@@H]([C@@H](O1)C(=O)NO)COP(=O)(O)O)C	8HS	[(4r,5r)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate
+[H]/N=C(\CF)/NCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3ccc(cc3)c4ccccc4	8HT	~{n}-[(1~{s})-1-(1~{h}-benzimidazol-2-yl)-4-(2-fluoranylethanimidoylamino)butyl]-4-phenyl-benzamide
+CC(C)(C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccc(cc4c3)F)O	8HV	5-fluoro-n-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2h-isoindole-2-carboxamide
+Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4F)CNCC(=O)CC(=O)O)F	8HW	4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid
+c12c([nH]c(n1)O)NC(=O)NC2=O	8HX	8-hydroxy-3,9-dihydro-1h-purine-2,6-dione
+c1ccc(cc1)CCCNC(=O)c2ccc(cc2)NC(=O)n3cc4ccccc4c3	8HY	n-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2h-isoindole-2-carboxamide
+Cc1ccc(cc1)Nc2c(nc3n2cccc3C)c4ccc(cc4)O	8HZ	4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol
+COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C@@H](Cc5ccccc5)N	8I1	2-(5-{[(2r)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine
+C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)Cc2ccc(cc2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)Cc4ccc(cc4)N5CCOCC5)CC(C)C)C	8I2	(3~{s},6~{r},9~{s},12~{r},15~{s},18~{r},21~{s},24~{r})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
+CCCCCCCCCc1cc(cc(c1C(=O)O)O)O	8I6	2-nonyl-4,6-bis(oxidanyl)benzoic acid
+CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	8I9	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] tridecanethioate
+c1cc(c(cc1C(=O)O)O)C(=O)O	8IB	2-hydroxyterephthalic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4I)O)O)O)O)C(=O)N	8ID	nicotinamide-8-iodo-adenine-dinucleotide
+Cc1nnc2n1c(nc3c2scc3)N4Cc5ccccc5[C@H](C4)C	8IE	(4r)-3-methyl-5-[(4r)-4-methyl-3,4-dihydroisoquinolin-2(1h)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
+c12c([nH]c(n1)I)N=C(NC2=O)N	8IG	8-iodo-guanine
+[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCCNC(=O)COCCOCCOCCOCCNC(=O)COc4ccc(cc4)N5CCN(CC5)CCn6c7c(cn6)c8nc(nn8c(n7)N)c9ccco9)C)C)(F)F	8IM	2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{n}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide
+Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N	8IN	[3-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-propyl-]-phosphonic acid
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCC	8IO	[(2r)-2-[(z)-hexadec-9-enoyl]oxy-3-[oxidanyl-[(2s,3r,5r,6s)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octadecanoate
+c1cc(cc(c1)c2cccnc2)CNc3cccnc3N	8IP	n~3~-(3-pyridin-3-ylbenzyl)pyridine-2,3-diamine
+COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccccc3Cl)c4ccncn4	8IR	n-{4-[(2-chlorophenyl)(pyrimidin-4-yl)carbamoyl]phenyl}-4-methoxybenzamide
+CN(C)[C@@H]1CCN(C1)c2cc(nc3n2ncc3)c4ccccc4	8IU	(3r)-n,n-dimethyl-1-[(8s)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine
+C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)N[C@H](Cc4ccccc4)C(=O)O)C	8IX	n-[(1r,3r,5s,7r)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl]-d-phenylalanine
+C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C	8J0	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,6s)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+Cc1cc(nc2c1ccc(c2)COc3cccc(c3)CNC)N	8J1	4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cccc(c3)NC(=O)C)NC(=O)OC(C)C	8J2	propan-2-yl ~{n}-[(2~{s},4~{r})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{h}-quinolin-4-yl]carbamate
+C[C@H](CC#C[C@@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C	8J3	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,6r)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC	8J4	7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine
+CC1(CC(CC(N1)(C)C)Nc2nc(cs2)c3cccc(c3)c4ccccc4)C	8J6	4-(3-phenylphenyl)-n-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine
+Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N	8J7	4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine
+Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CNCCNC(=O)C)OC	8J8	~{n}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide
+CCCC[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O	8J9	(2~{s})-2-[[(2~{s})-1-[[(2~{s})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid
+C1[C@H](ON=C1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	8JB	(2~{r})-2-azanyl-3-[[(5~{s})-5-[(1~{s})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic acid
+CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4cccc(c4)NC(=O)C=C)C(F)(F)F	8JC	n-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
+CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	8JD	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3r)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
+Cn1c2ccc(cc2cn1)[C@H](c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O	8JE	5-(4-fluorophenyl)-~{n}-[[3-[(~{s})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide
+Cc1cccc(c1C)c2c3cccnc3cc(n2)NC(=O)C	8JF	n-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)O)(C)C(=O)O	8JG	(7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid
+CC(C)C[C@@H](C(=O)NCCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O	8JH	~{n}-[(2~{s})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+c1ccc(cc1)[C@@H](C(=O)O)NC(=O)CCC(=O)O	8JI	n-succinyl-l-phenylglycine
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)O)(C)C(=O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O	8JJ	5'-o-[(r)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine
+COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cc(ccc3F)C(=O)O	8JL	4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
+CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc4c(c3)cn[nH]4	8JM	4-[2-amino-4-ethyl-5-(1h-indazol-5-yl)pyridin-3-yl]phenol
+CCCCN1C(=O)c2c(nc([nH]2)C34C[C@@H]5C[C@H](C3)CC4C5)N(C1=O)/C=C/CO	8JN	1-butyl-3-[(~{e})-3-oxidanylprop-1-enyl]-8-[(1~{r},5~{s})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{h}-purine-2,6-dione
+COc1ccc(c2c1cccc2)S(=O)(=O)Nc3ccc(c(c3)C(=O)O)F	8JO	2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
+CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc(nc3)C(=O)NC	8JP	6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-n-methyl[3,3'-bipyridine]-6-carboxamide
+CC(C)C[C@@H](C(=O)NCCN)NP(=O)(CNC(=O)OCc1ccccc1)O	8JQ	~{n}-[(2~{s})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cccc(c3F)C(=O)O	8JR	2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
+c1cc(ccc1NC(=S)Nc2ccc(cc2)S(=O)(=O)N)F	8JS	4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide
+c1cc2c(cc1C[NH2+]C3CCCC3)OCO2	8JT	1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium
+O1[Fe]S[Fe]2S[Fe]3[S]2[Fe]1S3	8JU	fe4-s4-o cluster
+Cc1ccc(cc1)[C@H]2CC[C@H](N2C(=O)CN[C@@H](CCc3ccccc3)C(=O)O)C(=O)O	8JV	(2~{s},5~{r})-5-(4-methylphenyl)-1-[2-[[(2~{s})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid
+C1=C(C(=O)NC=C1C(F)(F)F)N	8JW	3-azanyl-5-(trifluoromethyl)-1~{h}-pyridin-2-one
+COc1ccc(c2c1cccc2)S(=O)(=O)NCCCCC(=O)O	8JX	5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid
+CCCCCCC(=O)Oc1c(c(c(c(c1OP(=O)(O)OC[C@@H](COCCCCCC)OC(=O)CCCCC)O)O)O)O	8JY	[2-[[(2~{r})-2-hexanoyloxy-3-[(~{e})-hex-3-enoxy]propoxy]-oxidanyl-phosphoryl]oxy-3,4,5,6-tetrakis(oxidanyl)phenyl] (2~{e},4~{e})-hepta-2,4-dienoate
+CCCCOC(=O)C	8JZ	butyl acetate
+c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O)O	8K0	5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O	8K1	5'-o-[(r)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine
+c1cc(sc1S(=O)(=O)N)Cl	8K2	5-chloranylthiophene-2-sulfonamide
+COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F	8K4	2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone 
+c1cc(ccc1CSC(=[NH2+])N)Cl	8K5	[azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium
+CCCCCCCCCCCCCCCCCC	8K6	octadecane
+COC12C[C@H]3CC(C1)C[C@@H](C2)C3(CC(=O)N4CC(C4)O)c5ccc(cc5)F	8K7	1-(3-hydroxyazetidin-1-yl)-2-[(2s,5r)-2-(4-fluorophenyl)-5-methoxyadamantan-2-yl]ethan-1-one
+CCCCN1C(=O)c2c(nc([nH]2)C34C[C@@H]5C[C@H](C3)CC4C5)N(C1=O)CCCO	8K8	1-butyl-3-(3-oxidanylpropyl)-8-[(1~{r},5~{s})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{h}-purine-2,6-dione
+CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OC[C@@H](CN2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)O	8K9	(1~{r},9~{s})-11-[(2~{r})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one
+c1cc(ccc1c2ccc(cc2)F)C3(C4CC5CC3CC(C4)C5O)CC(=O)N6CC(C6)O	8KA	2-[(1r,3s,5r,7s)-2-[4-(4-fluorophenyl)phenyl]-6-hydroxyadamantan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one
+C1COC[C@@H](CN1)O	8KB	(6~{r})-1,4-oxazepan-6-ol
+CCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O	8KC	(2~{s})-2-[[(2~{s})-1-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid
+c1ccc(cc1)CC2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O	8KD	2-(2-benzyl-6-hydroxyadamantan-2-yl)-1-(3-hydroxyazetidin-1-yl)ethan-1-one
+c1ccc(cc1)C2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O	8KG	2-[(5r,7s)-6-hydroxy-2-phenyladamantan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCNC(=O)c4ccc(cc4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C6C(F)(F)F)N7CCN(CC7)C)O	8KH	n-[5-[4-[[5-[[(2s)-3,3-dimethyl-1-[(2s,4r)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1h-pyridine-3-carboxamide
+CC(C)C[C@@H](C(=O)NCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O	8KK	~{n}-[(2~{s})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+COc1ccc2cc-3[n+](cc2c1OCCC[n+]4cccc5c4cccc5)CCc6c3cc7c(c6)OCO7	8KL	9-o-3'-quinolinium propylberberine
+Cc1ccc(cc1)CS(=O)(=O)Nc2ccc(c(c2)C3CC3)C#N	8KM	n-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide
+CC(C)C[C@@H](C(=O)N[C@@H](CCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	8KN	(2~{s})-5-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid
+CC(C)C[C@@H](C(=O)NO)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O	8KO	(2s)-2-[[(2s,3r)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-n-oxidanyl-pentanamide
+CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(cc2)C	8KP	n-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide
+Cc1ccccc1NC(=O)N[C@H](CC(C)C)C(=O)NO	8KR	(2r)-4-methyl-2-[(2-methylphenyl)carbamoylamino]-n-oxidanyl-pentanamide
+c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O	8KS	(1s,2s,3s,4s)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid
+c1ccc2c(c1)C[C@H](O2)CNC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O	8KU	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-{[(2s)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide
+C[C@@H](c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3	8KV	n-{(1s)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-n'-phenylurea
+COc1cc(cc(c1)O)CCc2ccccc2O	8KW	3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)Nc4ccc(cc4)C(F)(F)F	8KX	3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{n}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OCC(=O)O)Cl	8KY	{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid
+CC(C)C[C@@H](C(=O)NO)NC(=O)NCc1cccc(c1)Cl	8L0	(2s)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)c3nc(cs3)C(F)(F)F)Cl	8L1	n-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-n'-(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)urea
+CC(C)C[C@@H](C(=O)N[C@@H](CN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	8L2	(2~{s})-3-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid
+c1cc(cnc1)OCC2(CCNCC2)Cc3ccc(c(c3)Cl)Cl	8L3	3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine
+[H]/N=C(/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Cl)\NO	8L4	3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-n-hydroxybenzene-1-carboximidamide
+[H].[H].[H].CC(C)C[C@@H](C(=O)NCN)NP(=O)(CNC(=O)OCc1ccccc1)O	8L5	~{n}-[(2~{s})-1-(aminomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid;hydrogen
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl	8L7	n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-d-ribofuranosylamine
+c1ccc(cc1)c2ccc(cc2)/C=C\C[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	8L8	(2r,3s,4r,5s,6r)-2-(hydroxymethyl)-6-[(z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol
+Cc1cc(c(cc1NS(=O)(=O)c2ccc(cc2C(=O)O)NS(=O)(=O)c3cc(cc(c3)Cl)Cl)Br)F	8L9	5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)O[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl	8LA	n-[4-chloro-3-(alpha-d-ribofuranosyloxy)phenyl]-n'-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
+CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	8LB	(2~{s})-6-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid
+c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=O)c2cccc(c2O)O	8LC	n,n'-octane-1,8-diylbis(2,3-dihydroxybenzamide)
+C(#COC#CO)O	8LD	2,2'-oxydi(ethyn-1-ol)
+CC(C)(C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	8LE	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate
+Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O	8LF	~{n}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide
+c1cc(c(nc1)O)O	8LG	pyridine-2,3-diol
+C[C@H](CO)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	8LH	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{r})-2-methyl-3-oxidanyl-propanoate
+CC(C)CC(=O)C1=N/C(=C(/O)\S)/C(=O)O1	8LI	(4z)-4-[hydroxy(sulfanyl)methylidene]-2-(3-methylbutanoyl)-1,3-oxazol-5(4h)-one
+C1C=CN[C@@H]1C(=O)O	8LJ	(2s)-2,3-dihydro-1h-pyrrole-2-carboxylic acid
+CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)CO)O	8LK	pyrrolo-dc
+CCCCCCOCCOCCNS(=O)(=O)c1cccc2c1cccc2N(C)C	8LL	5-(dimethylamino)-~{n}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide
+CC(C)C(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3)O	8LM	2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-d-galacto-non-2-enoni  c acid
+Cc1c(cn(n1)C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	8LN	5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-n-(3-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine
+CCc1cccc(c1NC(=O)N[C@H](CC(C)C)C(=O)NO)CC	8LO	(2r)-2-[(2,6-diethylphenyl)carbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+c1ccc(cc1)CN2C=C3CN(C(=O)NC3=CC2=O)c4cccc(c4)OCc5ccccc5	8LP	6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1h,3h)-dione
+C[C@@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	8LQ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (3~{s})-3-oxidanylbutanoate
+C(CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O	8LR	2-hydroxyethyl alpha-d-mannopyranoside
+Cc1cc2c(cc1N3CC4=CN(C(=O)CC4=NC3=O)Cc5ccccc5)O[C@H](CC2)c6c(cccn6)F	8LS	6-benzyl-3-[(2r)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2h-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3h,8h)-dione
+c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OCCCN4CCOCC4)NC(=O)[C@H]5CCCN5C(=O)CF)Cl)F	8LU	(2r)-n-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide
+c1cc(cc(c1)C(=O)O)c2ccc(o2)CC3=C(N4C(=NC3=O)S[C@@H](N4)C5CCCCC5)N	8LV	3-(5-{[(2r)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid
+Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5)C3=O)N(C(=O)N2C)C	8LW	2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
+CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3cc(ncn3)Oc4ccc(cc4)OC	8LX	(5s)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
+c1cc(c(cc1Cl)c2cc(ccn2)Nc3ccnc4c3nn(c4)CC5CCNCC5)F	8LY	n-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2h-pyrazolo[4,3-b]pyridin-7-amine
+c1cc2c(cc1[C@@H]3CCC[NH2+]3)OCCO2	8LZ	(2~{s})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium
+[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-]	8M0	bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (vi)
+CC(=O)N(c1ccc(cc1)c2cnn(c2)C)C3CCC(CC3)Nc4ncc5ccccc5n4	8M1	n-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-n-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide
+c1cscc1C(=[NH2+])N	8M2	[azanyl(thiophen-3-yl)methylidene]azanium
+COc1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O	8M4	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid
+Cn1cc(c2c1cccc2)C(=O)Nc3ccccc3	8M5	1-methyl-n-phenyl-indole-3-carboxamide
+Cc1c(cccn1)NC(=O)CSC2=Nc3c(c4c(s3)CN(CC4)C(=O)C)C(=O)N2Cc5ccco5	8M6	2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{n}-(2-methylpyridin-3-yl)ethanamide
+CCC(CC)C(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	8M7	n-[(2z,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2h-pyran-3-yl]-2-ethylbutanamide
+Cc1c(c(sc1C#N)c2nc[nH]n2)C	8M8	3,4-dimethyl-5-(1~{h}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile
+Cc1cnc(c(c1OC)C)Cn2c3c(cn2)c(nc(n3)N)Cl	8M9	4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
+c1cc(nc(c1)C(=O)Nc2ccc(cc2Nc3ccc(cc3)F)C(=O)O)CC4CCCCC4	8MA	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid
+Cc1ccc(cc1)/C=C/C(=O)O	8MB	(~{e})-3-(4-methylphenyl)prop-2-enoic acid
+COc1ccc2c(c1)OC(=O)C=C2CC(=O)O	8MC	(7-methoxy-2-oxo-2h-chromen-4-yl)acetic acid
+C=C[C@H]1CCC([C@H](C1)O)O	8MD	(1s,2s,4s)-4-ethenylcyclohexane-1,2-diol
+C[C@@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	8ME	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(pyridin-2-yl)ethyl]propanamide
+c1c(c(cc2c1OCO2)Br)Cn3c4c(cn3)c(nc(n4)N)Cl	8MF	1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine
+Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	8MG	8-methyl-2'-deoxyguanosine-5'-monophosphate
+CCCCCCOCCOCCNC(=O)CCN1C(=O)c2cccc3c2c(ccc3NNN)C1=O	8MH	3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-n-[2-(2-hexoxyethoxy)ethyl]propanamide
+C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2	8MI	n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)glycyl-l-arginine-n-phenylamide
+c1cc2ccc(nc2c(c1)O)C=O	8MJ	8-oxidanylquinoline-2-carbaldehyde
+CC(=O)/C=C/c1ccc(cc1)O	8MK	(~{e})-4-(4-hydroxyphenyl)but-3-en-2-one
+Cc1ncc(c(n1)N)CN2C(SC(C2=C)CCOP(=O)(O)OP(=O)(O)O)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O	8ML	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-2-[(2s,3s,4r,5r)-1,2,3,4,5-pentakis(oxidanyl)-6-phosphonooxy-hexan-2-yl]-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate
+CC(=O)N[C@@H]1CC[C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)CN	8MM	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranoside
+c1cc(ccc1SCC(=O)NN)Cl	8MN	2-(4-chlorophenyl)sulfanylethanehydrazide
+COc1c2c(cco2)cc3c1OC(=O)C=C3	8MO	methoxsalen
+CCCC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O	8MP	n-[(3s,4r,5r,6s)-4,5,6-trihydroxyazepan-3-yl]butanamide
+CC(C(=O)c1c[nH]c2c1cccc2)N3CCCCCC3	8MQ	2-(azepan-1-yl)-1-(1~{h}-indol-3-yl)propan-1-one
+COc1ccc(cc1)S(=O)(=O)[C@H](CC(=O)O)C(F)F	8MR	(3r)-4,4-difluoro-3-[(4-methoxyphenyl)sulfonyl]butanoic acid
+CCCCCCOCCOCCOCCN[C@@H](c1ccc(cc1)NNN)O	8MS	(r)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol
+c1c(c(sc1C(=O)NN)Br)Br	8MT	4,5-bis(bromanyl)thiophene-2-carbohydrazide
+CC(=O)OCc1ccc(o1)C=O	8MV	(5-formylfuran-2-yl)methyl acetate
+Cc1c2c(nc(nc2sc1C(=O)O)C3CC3)C	8MW	2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid
+Cc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O	8MX	1-cyclopropyl-6-fluoro-8-methyl-7-[(4as,7as)-octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(ccc1C#N)Nc2nc(cc(n2)n3ccc(n3)CO)N	8MY	4-({4-amino-6-[3-(hydroxymethyl)-1h-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile
+c1cc2c(cc1c3csc(n3)N)NC(=O)N2	8MZ	5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
+c1cc(c(nc1)Br)O	8N0	2-bromanylpyridin-3-ol
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)Cl	8N1	n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-xylofuranosylamine
+COc1cccc(c1OC)/C=C/C(=O)O	8N2	(~{e})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
+Cc1cccc(c1)CNC(=O)N[C@H](CC(C)C)C(=O)NO	8N3	(2r)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-n-oxidanyl-pentanamide
+c1cc(cc(c1)OC(F)(F)F)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O	8N4	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid
+c1ccc2c(c1)CSC3=C2NNC3=O	8N5	2,5-dihydro-1~{h}-isothiochromeno[4,3-c]pyrazol-3-one
+CCc1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3	8N6	(5s)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
+c1cc(nc(c1)C(=O)Nc2ccc(cc2OC3CCOCC3)c4[nH]nnn4)CC5CCCCC5	8N7	6-(cyclohexylmethyl)-n-{2-[(oxan-4-yl)oxy]-4-(1h-tetrazol-5-yl)phenyl}pyridine-2-carboxamide
+c1c(c(c(s1)C(=O)O)Br)Br	8N8	3,4-bis(bromanyl)thiophene-2-carboxylic acid
+Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\CO)/O)CCOP(=O)(O)OP(=O)(O)O)C	8N9	2-[(2e)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[1,2-bis(oxidanyl)ethylidene]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	8NA	alpha-diphosphopyridine nucleotide
+CC(=O)Nc1ccc(c(c1)Cl)OC	8NB	~{n}-(3-chloranyl-4-methoxy-phenyl)ethanamide
+COc1ccc(cc1F)NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)C	8NC	(3r,4r)-1-methanesulfonyl-pyrrolidine-3,4--dicarboxylic acid 3-[(3-fluoro-4-methoxy-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COCCN)OC(=O)CCCCCCCCCCCCCCC	8ND	(2s)-3-(2-aminoethoxy)propane-1,2-diyl dihexadecanoate
+c1cc(ccc1C(=[NH2+])N)C(F)(F)F	8NE	[azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium
+Cc1cc(ncc1N)C	8NF	5-amino-2,4-dimethylpyridine
+CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)Oc4ccc(cc4F)F	8NG	n-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide
+Cc1c(ccc(c1Cl)C#N)N2C(=O)[C@@H]3[C@@H](CCN3C2=O)O	8NH	2-chloro-4-[(7r,7as)-7-hydroxy-1,3-dioxotetrahydro-1h-pyrrolo[1,2-c]imidazol-2(3h)-yl]-3-methylbenzonitrile
+CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4	8NJ	6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	8NK	7-methylguanosine 5'-diphosphate
+Cc1c(cccc1c2ccccc2)COC(=O)[C@H]3C(C3(C)C)/C=C(\C(F)(F)F)/Cl	8NL	(2-methyl-3-phenyl-phenyl)methyl (1~{s})-3-[(~{e})-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
+CN1C=C(c2cc[nH]c2C1=O)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C	8NM	n-[3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide
+c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)O	8NN	(1-chloro-4-hydroxyisoquinoline-3-carbonyl)-l-tryptophan
+c1ccc(cc1)CCOc2cccc(c2)Nc3ccccc3C(=O)N	8NO	2-[[3-(2-phenylethoxy)phenyl]amino]benzamide
+CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3	8NP	3-methyl-5-(2-phenoxyphenyl)pyridin-2(1h)-one
+c1ccc2c(c1)c(nn2CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(n5)Br)C(=O)N	8NQ	1-[2-[(1~{r},3~{s},5~{r})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide
+CCOC(=O)N1CCN(CC1)C(=O)c2ccc3cc4c(nc3c2)CCCC4	8NR	ethyl 4-(5,6,7,8-tetrahydroacridin-3-ylcarbonyl)piperazine-1-carboxylate
+CCS(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C	8NS	7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one
+C1CSS[C@H]1CCCCC(=O)NCCCS(=O)(=O)O	8NT	3-[5-[(3~{s})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid
+CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F	8NU	3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
+CC(C)S(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C	8NV	7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one
+C1CSS[C@H]1CCCCC(=O)NCCCO	8NW	5-[(3~{s})-1,2-dithiolan-3-yl]-~{n}-(3-oxidanylpropyl)pentanamide
+c12c(nc([nH]1)[N+](=O)[O-])NC(=O)NC2=O	8NX	8-nitro-3,7-dihydro-1h-purine-2,6-dione
+c1cc2c(cc1I)cn[nH]2	8NY	5-iodanyl-1h-indazole
+c1cc2c(cc1Br)c(c[nH]2)C(=O)O	8NZ	5-bromanyl-1~{h}-indole-3-carboxylic acid
+C[C@@]1([C@@H](C[C@H]2[C@@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)Cl)C=C	8O0	hapalindole a
+CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)NCC4CC4	8O1	4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCNC(=O)C2)N	8O3	(r)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)piperazin-2-one
+CN1C=C2c3cc(ccc3N(Cc4c2c([nH]c4)C1=O)CC5CC5)CS(=O)(=O)C	8O4	7-(cyclopropylmethyl)-2-methyl-10-[(methylsulfonyl)methyl]-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one
+c1ccc(cc1)CNC(=O)[C@@H]([C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H](CC3CC3)NC(=O)/C=C/c4ccccc4)O	8O5	(2~{r},3~{s})-3-[[(2~{s})-3-cyclopropyl-2-[[(~{e})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-~{n}-(phenylmethyl)butanamide
+c1cc(ccc1CSC2=NC3=C(CCC3)C(=O)N2)c4ccc(cc4)S(=O)(=O)NCCN	8O7	n-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonami de
+CN(Cc1cccc2c1ccnc2)C(=O)c3ccccc3[C@H]4CCNC4	8O8	~{n}-(isoquinolin-5-ylmethyl)-~{n}-methyl-2-[(3~{r})-pyrrolidin-3-yl]benzamide
+CC(C)[C@H](C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3	8OA	(r)-n-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide
+c1cc(ccc1O)Oc2c(cc(cn2)Cl)Cl	8OB	4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N	8OD	[(2r,3s,4r,5r)-5-(6-azanyl-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
+c1cc(ccc1N)Oc2c(cc(cn2)Cl)Cl	8OE	4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline
+COc1ccc(cc1)Nc2ccnc3c2cccc3	8OF	n-(4-methoxyphenyl)quinolin-4-amine
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O	8OG	8-oxo-2'-deoxy-guanosine-5'-monophosphate
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cccs4)N	8OH	2-phenyl-~{n}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine
+CC(C)[C@@H](C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3	8OJ	(s)-n-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide
+c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccc(cc4)N5CCOCC5)N	8OK	2-(4-morpholin-4-ylphenyl)-~{n}4-(2-phenylethyl)quinazoline-4,7-diamine
+CC(C)(C)OC[C@H]1C(=O)NCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N	8OL	(s)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one
+CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3	8OM	(s)-3-methyl-2-(4'-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-ylsulfonamido)butanoic acid
+CC(=O)N1CCN(CC1)c2ccc(cc2)c3nc4cc(ccc4c(n3)NCCc5ccccc5)N	8ON	1-[4-[4-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]piperazin-1-yl]ethanone
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	8OP	[(2r,3s,4r,5r)-5-(6-azanyl-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H]1[C@]([C@H]([C@H](O1)O)O)(C(=O)O)O	8OQ	alpha-d-aceric acid
+CS(=O)(=O)c1ccc(cc1)Nc2c3c(nc(n2)N[C@H]4CCCC[C@@H]4N)C=CNC3=O	8OR	2-[[(1s,2s)-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6h-pyrido[4,3-d]pyrimidin-5-one
+Cc1c([nH]cn1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	8OS	5'-o-[(s)-hydroxy(4-methyl-1h-imidazol-5-yl)phosphoryl]guanosine
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NCCc4cccs4)N	8OT	2-phenyl-~{n}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine
+Cn1c2ccc(cc2cn1)Nc3c4c(nc(n3)N5CCC(CC5)O)CC=NC4=O	8OU	4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8h-pyrido[4,3-d]pyrimidin-5-one
+CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C(=O)C)C(F)(F)F	8OV	n-(3-{[2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]amino}phenyl)propanamide
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4ccc(cc4)F)N	8OW	~{n}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	8OX	6-azanyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7h-purin-8-one
+c1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O	8OY	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-(phenylamino)benzoic acid
+C=C(c1ccccc1)C(=O)O	8OZ	2-phenylacrylic acid
+c1cc2ccc3cccc4c3c2c(c1)cc4	8P0	pyrene
+c1cc2c(cc1N)CCCC2=O	8P1	6-azanyl-3,4-dihydro-2~{h}-naphthalen-1-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1O2)O)O)O)[N+]#N	8P2	[(1~{r},2~{r},3~{r},4~{s},5~{r},6~{s})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium
+c1ccc2c(c1)CC(=O)N2Cc3ccccc3C(=O)O	8P3	2-[(2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoic acid
+c1cc(ccc1NC(=S)N)F	8P4	1-(4-fluorophenyl)thiourea
+C(CCN=[N+]=N)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	8P5	azanylidene-[4-[[(1~{s},2~{r},3~{r},4~{r},5~{s},6~{s},7~{s})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-bicyclo[4.1.0]heptanyl]carbonylamino]butylimino]azanium
+C[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)C=C	8P6	hapalindole u
+Cc1[nH]c2ccccc2n1	8P7	2-methyl-1~{h}-benzimidazole
+[C+2]12345[Fe]6[S-]7[Fe]18S[Fe]29[S-]1[Fe]3[S-]2[Fe]1[S-]9[Fe]42S[Fe]51[S-]6[V]7[S-]81	8P8	c fe7 s8 v
+Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Cl	8P9	5-chloranyl-2-methoxy-n-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](\C=C\c3cccnc3)O)CCO[P@](=O)(O)OP(=O)(O)O	8PA	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1s,2e)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium
+c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	8PC	2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC	8PE	(2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate
+C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	8PF	pentadecafluorooctanoic acid
+CCCCC[C@@H](\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)O)O	8PG	(8s,12s)-15s-hydroxy-9-oxoprosta-10z,13e-dien-1-oic acid
+CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-]	8PH	hydrogen [(1r)-2-(3-decyl-1h-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate
+c1cc(c(nc1)O)[N+](=O)[O-]	8PJ	3-nitropyridin-2-ol
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OC)O)O[C@H](C)O	8PK	4-o-[(1r)-1-hydroxyethyl]-2-o-methyl-alpha-l-fucopyranose
+C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)F)C(=O)O	8PL	(2r)-2-(4-fluorophenyl)-2-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid
+CCCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1nsn2)N(C)C	8PM	n~2~-{[7-(dimethylamino)-2,1,3-benzothiadiazol-4-yl]sulfonyl}-n-hexyl-n~2~-methylglycinamide
+C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)O)C(=O)O	8PO	(2r)-2-(4-hydroxyphenyl)-2-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid
+CC(=CCCC(=CCC/C(=C/CC/C(=C/CCC(=CCC/C(=C/CCC(=CCCC(=CCc1ccccc1O)C)C)/C)C)/C)/C)C)C	8PP	2-[(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]phenol
+Cc1c(c(n[nH]1)C)Br	8PQ	4-bromanyl-3,5-dimethyl-1~{h}-pyrazole
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F	8PR	paroxetine
+CCCCCCCCc1ccc(c(c1)O)Oc2ccccc2	8PS	5-octyl-2-phenoxyphenol
+Cc1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)[nH]cn3)N5CCOCC5	8PT	~{n}6-cyclohexyl-~{n}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{h}-purine-2,6-diamine
+Cc1c2cc(c(cc2on1)O)NS(=O)(=O)c3cc(ccc3OC)Br	8PU	5-bromanyl-2-methoxy-n-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide
+c1ccc(cc1)CNC(=O)c2cccc(c2)NCc3[nH]c(nn3)c4ccncc4	8PV	n-benzyl-3-({[5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)benzamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C)S(=O)(=O)c4ccc(cc4C(F)(F)F)OCC(F)(F)F	8PW	(2s,4r)-n-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
+Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Br	8PX	5-bromanyl-2-methoxy-n-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide
+CC(=O)N(c1cc2ccc3cccc4c3c2c(c1)cc4)c5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N	8PY	[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	8PZ	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(3~{s})-3-azanyl-3-phenyl-propanoyl]sulfamate
+CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	8Q1	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate
+C#CCOc1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	8Q2	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(3~{s})-3-azanyl-3-(4-prop-2-ynoxyphenyl)propanoyl]sulfamate
+Cc1cc2c(cc1NS(=O)(=O)c3cc(ccc3OC)Br)c(no2)C	8Q3	5-bromanyl-n-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OC(=O)O)Cl	8Q4	2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate
+CC(C)CNc1c2ncc(n2ccn1)c3ccc(cc3)C(=O)NC4CC4	8Q5	~{n}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
+CCOc1ccc(cc1Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C(=O)C	8Q6	dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate
+COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)C(=O)[C@@H]5CC5(F)F)-c6ncnn6C2=O	8Q7	9-[(1s)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one
+CC(C)([C@@H](C(=O)NO)N[C@@H]1CCc2c1ccc(c2)C#Cc3ccc(cc3)Cn4ccnc4CO)N	8Q8	(2~{s})-3-azanyl-2-[[(1~{r})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{h}-inden-1-yl]amino]-3-methyl-~{n}-oxidanyl-butanamide
+Cc1c2cc(c(cc2on1)OCC(=O)NCCN3CCOCC3)NS(=O)(=O)c4cc(ccc4OC)Br	8Q9	2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-n-(2-morpholin-4-ylethyl)ethanamide
+c1cnc(nc1c2cc3n(c2)CCNC3=O)NC4CCOCC4	8QB	7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{h}-pyrrolo[1,2-a]pyrazin-1-one
+Cc1c2cc(c(cc2on1)NC)NS(=O)(=O)c3cc(ccc3OC)Br	8QC	5-bromanyl-2-methoxy-n-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide
+C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O	8QD	(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol
+CC(C)(C)Nc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N	8QE	4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide
+C[C@H](CCCC(C)(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(C[C@@H]([C@H](C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C	8QF	[(2~{s},3~{s},5~{s},6~{s},8~{s},9~{s},10~{r},13~{r},14~{r},17~{r})-17-[(2~{r})-6,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate
+c1cc(sc1c2c[nH]nc2)Cl	8QG	4-(5-chlorothiophen-2-yl)-1h-pyrazole
+Cc1ccc(cc1)N/C=C\2/c3c(c4cc(c(c(c4o3)Cl)Cl)O)CCC2=O	8QH	(4~{z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
+c1nc2c(n1C[C@@H](COCP(=O)(O)O)OC[C@@H](O)P(=O)(O)O)N=C(NC2=O)N	8QI	({(2s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2-[(2s)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid
+C[N](C)(C)[C@@H](Cc1c[nH]c(n1)SO)C(=O)O	8QJ	(2~{s})-3-(2-oxidanylsulfanyl-1~{h}-imidazol-4-yl)-2-(trimethyl-$l^{4}-azanyl)propanoic acid
+COc1ccc(cc1)/N=C/c2c(ccc3c2oc4c3c(c(c(c4)Cl)O)Cl)O	8QK	1,3-bis(chloranyl)-6-[(~{e})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol
+C[C@@]12CCC[C@@H]1[C@@H]3C[C@@H](C4=C[C@H](CC[C@@]4([C@H]3CC2)C)O)O	8QL	(3s,6s,8s,9s,10r,13s,14r)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6-diol
+c1cc(ccc1C2CC2)C(=O)O	8QM	4-cyclopropylbenzoic acid
+C[C@H]([C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O	8QN	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{s},3~{r})-2-azanyl-3-oxidanyl-butanoate
+C[C@@H]1CN=C(N1)c2ccc(cc2O)OC	8QO	5-methoxy-2-[(5r)-5-methyl-4,5-dihydro-1h-imidazol-2-yl]phenol
+CCc1cccc2c1[nH]c3c2CCO[C@@]3(CC)CC(=O)O	8QP	[(1s)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
+Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)C[C@H](c4ccccc4)C(F)(F)F)O)c5ccc(cc5)CN	8QQ	3-[4-(aminomethyl)phenyl]-2-methyl-6-[[4-oxidanyl-1-[(3~{r})-4,4,4-tris(fluoranyl)-3-phenyl-butanoyl]piperidin-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-one
+CCc1cccc2c1[nH]c3c2CCO[C@]3(CC)CC(=O)O	8QS	[(1r)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
+CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	8QT	(2~{r},3~{s})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
+CC#Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)C6=CCOCC6	8QV	(5s)-3-(3,6-dihydro-2h-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'h-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
+C[C@H](c1ccc(cc1)F)C(=O)Nc2ccc(cc2)c3ccc4nc(nn4c3)Nc5ccc(cc5OC)S(=O)(=O)C	8QW	(2~{r})-2-(4-fluorophenyl)-~{n}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
+CC1=Nc2ccc(nc2C(=O)N1C[C@H]3CCCN(C3)C(C)C)Oc4ccc(cc4F)Br	8QX	6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{s})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
+C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc2ccc(cc2)O)N(C)C	8QY	n-[(2s)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-n'-[(2s)-1-(thiophen-3-yl)propan-2-yl]urea
+CCc1c(c(n(n1)CCOCCOCCOC)CC)NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C(=O)COC	8QZ	~{n}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
+CN1[C@@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3	8R0	(3r)-4-methyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
+c1cc(ccc1NC(=O)[C@H](CO)N)Oc2ccc3c(c2)c(c([nH]3)N)C#N	8R2	(2s)-2-amino-n-[4-[(2-amino-3-cyano-1h-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide
+CN(C)/N=C\1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)C(=O)O	8R3	3-[2-[(3z,6r)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid
+c1ccc(cc1)c2cc3c(coc3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O	8R4	2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid
+C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O	8R5	3-[5-chloranyl-6-[(1~{r})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid
+CC1=C(C(=O)Oc2c1ccc(c2)N=[N+]=[N-])CC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O	8R6	(2s)-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid
+COc1ccc2c(ccnc2c1)c3ccc(c(c3)C4CCCC4)C(=O)O	8R7	2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid
+C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)N(C(=O)O3)CCC(=O)O	8R8	3-[5-chloranyl-2-oxidanylidene-6-[(1~{r})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid
+CC(=O)N1CCN(CC1)c2ccccn2	8RA	1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
+Cc1ccc(nn1)[C@@H](C)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O	8RB	3-[5-chloranyl-6-[(1~{r})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
+CCc1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C)O[C@@H]5CCN(C5)C(=O)C=C	8RC	6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3r)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide
+Cc1c(c(nn1C)C(=O)N2CCOCC2)CCOc3cc(ccc3c4ccc5nnc(n5c4)CNC)F	8RD	{4-[2-(5-fluoro-2-{3-[(methylamino)methyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}phenoxy)ethyl]-1,5-dimethyl-1h-pyrazol-3-yl}(morpholin-4-yl)methanone
+C(CN)[C@@H]([C@@H]([C@@H](C(=O)O)N)O)O	8RE	3,4-dihydroxylysine
+Cc1cc(ccc1C(=O)NC2CC2)c3cnc4n3nc(cc4NCCC(F)(F)F)Oc5ccc(c(c5F)F)OC	8RH	bay 1217389
+CN(C)[C@@H](Cc1ccc(cc1)O)CNC(=O)/C=C/c2cccc3c2cccc3	8RI	(2e)-n-[(2s)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide
+CC1=CN(C(=O)NC1=O)C[C@H](COP(=O)(O)O)O	8RJ	(r)-1'-(2',3'-dihydroxypropyl)-thymine
+Cc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O	8RK	3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid
+CNC(=O)c1cc2ccccc2nc1	8RM	n-methylquinoline-3-carboxamide
+C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3c(csc3C2=O)Br)O)c4ccccc4	8RN	7-bromanyl-3-[[4-oxidanyl-1-[(3~{r})-3-phenylbutanoyl]piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
+CC1=C2N(S2)C(=O)N(C1)[C@H]3C[C@@H]([C@H](O3)COP(O)O)O	8RO	[(2~{r},3~{s},5~{r})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
+CC(=O)N1CCc2cc(c(cc2C1)OC)OC	8RP	1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)ethan-1-one
+C/C(=C(\CCCN(CC1CCCCC1)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4)/C=N/C)/O	8RQ	~{n}4-[(4-chlorophenyl)methyl]-~{n}1-(cyclohexylmethyl)-~{n}4-cyclopentyl-~{n}1-[(~{z})-4-[(~{e})-methyliminomethyl]-5-oxidanyl-hex-4-enyl]benzene-1,4-disulfonamide
+Cc1cc(ccc1OCC(=O)O)SCc2c(nc([se]2)c3ccc(cc3)C(F)(F)F)C	8RR	2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid
+CC(=O)N1CCN(CC1)c2ccccc2	8RS	1-(4-phenylpiperazin-1-yl)ethan-1-one
+Cn1cc(c2c1cccc2)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F	8RT	(2~{s})-~{n}1-(1-methylindol-3-yl)-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
+CCc1ccc(c(c1)O)O	8RU	4-ethylbenzene-1,2-diol
+CC(=O)NC1CCN(CC1)Cc2ccccc2	8RV	n-(1-benzylpiperidin-4-yl)acetamide
+c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F	8RW	(2~{s})-~{n}1-(1-aminocarbonylindol-3-yl)-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
+CNC(=O)c1ncccn1	8RY	n-methylpyrimidine-2-carboxamide
+c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(c5)OC(F)(F)F	8RZ	(1~{r},3~{s},5~{r})-~{n}2-(1-aminocarbonylindol-3-yl)-~{n}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
+C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O	8S0	l-glucono-1,5-lactone
+c1ccc(c(c1)n2c(c(cn2)C#N)N)Cl	8S1	5-amino-1-(2-chlorophenyl)-1h-pyrazole-4-carbonitrile
+c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)N	8S2	(2~{s},4~{s})-~{n}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
+Cc1c(c(on1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)O)Cl	8S3	2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid
+COc1ccc(cc1)Cn2cnnn2	8S4	1-[(4-methoxyphenyl)methyl]-1h-tetrazole
+c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)F	8S5	(2~{s},4~{r})-~{n}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
+C[C@H](CC(=O)O)NC(=O)C(=O)O	8S6	(3r)-3-(oxaloamino)butanoic acid
+Cc1cc(on1)NC(=O)C2CC2	8S7	n-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide
+C[C@@H]1C=C[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4)C(=O)O	8S8	(3~{s},6~{s},7~{r},9~{a}~{r})-6-[[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonylamino]-7-methyl-5-oxidanylidene-1,2,3,6,7,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid
+c1ccc(cc1)c2c(nc(o2)c3cccc(c3)C(=O)O)c4ccc(c(c4)Cl)Cl	8S9	3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid
+Cc1cc(no1)NCc2cccs2	8SA	5-methyl-n-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CC[C@@H]3[C@@H]2C(=O)N4[C@@H](CC[C@@H]4C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6)C=C3	8SB	(3~{s},7~{r},10~{r},13~{s})-4-[[(3~{r},7~{s},10~{s},13~{r})-4-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+c1cc2c(cc1O)CC(=O)N2	8SD	5-hydroxy-1,3-dihydro-2h-indol-2-one
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CC[C@H]3[C@H]2C(=O)N4[C@H](CC[C@H]4C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6)C=C3	8SE	(3~{s},7~{r},10~{r},13~{s})-4-[[(3~{s},7~{r},10~{r},13~{s})-4-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+CC(C)Sc1nnnn1c2ccccc2	8SF	1-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole
+Cc1cc(on1)NC(=O)c2ccco2	8SG	n-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide
+CCOP(=O)([C@H](CCCc1ccccc1)CS)OCC	8SH	(2~{r})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol
+[H]/N=C(\N)/SCc1ccc(cc1)[N+](=O)[O-]	8SJ	(4-nitrophenyl)methyl carbamimidothioate
+c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O	8SK	benzo[a]pyren-3-ol
+CC(C)Cc1nnc(n1Cc2ccccc2)SCc3ccc(cc3)OC	8SL	3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methylpropyl)-4-(phenylmethyl)-1,2,4-triazole
+Cn1cc(c(n1)n2cccc2)c3ccccn3	8SM	2-[1-methyl-3-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]pyridine
+C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C(=O)O	8SN	(3~{s},7~{r},10~{r},11~{r},13~{s})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)CCNS(=O)(=O)C	8SO	n-[(2r)-2-[4-[4-[2-(methylsulfonylamino)ethyl]phenyl]phenyl]propyl]propane-2-sulfonamide
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC	8SP	o-[(r)-{[(2r)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine
+c1ccc2c(c1)cccc2CCC(=O)NO	8SQ	3-naphthalen-1-yl-~{n}-oxidanyl-propanamide
+Cc1cc(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F	8SR	2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+c1cc(ccc1c2c[nH]nc2N)Br	8SS	4-(4-bromophenyl)-1h-pyrazol-3-amine
+c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)NCc3ccncc3	8ST	n-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
+CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O	8SU	(~{z})-7-[(1~{r},5~{s})-2-oxidanylidene-5-[(~{e},3~{s})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid
+CNc1cc2c(cc1[N+](=O)[O-])N(C(=O)N2C)C	8SV	1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2h-benzimidazol-2-one
+C#CCNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O	8SW	~{n}-[2-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide
+C[C@@]12CCC(=O)OC([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C	8SX	preaustinoid a1
+CN1c2ccc(cc2CCC1=O)N	8SY	6-amino-1-methyl-3,4-dihydroquinolin-2(1h)-one
+C(CCN)C[C@@H](C(=O)NO)N	8SZ	(2~{s})-2,6-bis(azanyl)-~{n}-oxidanyl-hexanamide
+C[C@]12CC[C@H]3[C@]([C@@H]1C[C@@]4(C(=C)[C@]2(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)(C=CC(=O)OC3(C)C)C	8T0	preaustinoid a2
+CN1c2ccc(cc2C=CC1=O)N	8T1	6-amino-1-methylquinolin-2(1h)-one
+c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)NCCCCNC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O	8T2	~{n}-[(5~{s})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide
+C[C@]1(C[C@@H]2C[C@@H]2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)Cl	8T3	n-[3-[(1s,3s,6s)-5-azanyl-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carbox amide
+Cn1c(c(cn1)c2ccccc2)n3cccc3	8T4	1-methyl-4-phenyl-5-(1h-pyrrol-1-yl)-1h-pyrazole
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CCC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6	8T5	(1~{s},4~{s},7~{r},10~{r})-14-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-3,14-diazatricyclo[8.4.0.0^{3,7}]tetradec-8-ene-4-carboxylic acid
+Cn1c(c(c(n1)C(F)(F)F)c2ccccc2)N	8T7	1-methyl-4-phenyl-3-(trifluoromethyl)-1h-pyrazol-5-amine
+c1cc(ccc1CN[C@H]2CCCc3c2[nH]c4c3ccc(c4)OC(F)(F)F)Br	8T8	(1~{s})-~{n}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{h}-carbazol-1-amine
+CC1=C2C[C@@]3(C(=C)[C@]([C@]2(CC[C@@]14C=CC(=O)OC4(C)C)C)(C(=O)[C@@](C3=O)(C)O)C(=O)OC)C	8T9	preaustinoid a3
+c1ccnc(c1)c2cn[nH]c2n3cccc3	8TA	2-[5-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]pyridine
+C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)O	8TB	(3~{s},7~{r},10~{r},11~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+C[C@@]12CC[C@H](C([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C)O	8TC	berkeleyone a
+CN1c2ccc(cc2N(C1=O)C)N	8TD	5-amino-1,3-dimethyl-1,3-dihydro-2h-benzimidazol-2-one
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)O)CP(=O)(O)O	8TE	p-methylphosphonatocalix[4]arene
+CN1c2cc(c(cc2C=CC1=O)[N+](=O)[O-])Br	8TG	7-bromo-1-methyl-6-nitroquinolin-2(1h)-one
+CCCC12C3([Ir]1456(C3(C4(C52C)C)C)(N(CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)Cl)C	8TH	chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappan]methyl}azanide-kappan][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium
+CNC(=O)c1cc2cccnc2s1	8TJ	n-methylthieno[2,3-b]pyridine-2-carboxamide
+CC1=CSC2=CC(=C(C(=O)N12)c3ccccc3)[C@H](C)Nc4c(c(ncn4)N)C#N	8TK	4-azanyl-6-[[(1~{s})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile
+CC[C@@H]1C(=O)N2[C@H](CN(C(=O)[C@@H]2CCSC)CCC(C)C)N(O1)C(=O)OC(C)C	8TL	propan-2-yl (3r,6s,9as)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6h-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate
+c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)SC(F)(F)F	8TM	n-[4-(trifluoromethylsulfanyl)phenyl]quinazolin-4-amine
+CC1=CSC2=CC(=C(C(=O)N12)c3cccc(c3)CN(C)C)[C@H](C)Nc4c(c(ncn4)N)C#N	8TN	4-azanyl-6-[[(1~{s})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
+C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCCN(C)C)C)C)OC)OC(=O)N)C)C)O)OC	8TO	(4e,6e,8s,9r,10e,12r,13r,14s,16r)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
+CC(=O)NCCNc1ccccc1	8TP	n-[2-(phenylamino)ethyl]acetamide
+C1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C=O	8TQ	(3~{s},7~{r},10~{r},13~{s})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carbaldehyde
+OCl	8TR	hypochlorous acid
+CC(=O)N1CCN(CC1)c2ccc(cn2)C#N	8TS	6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile
+CCC[C@@H](CC(C)(O)O)[C@H](C[C@@H](CCCCC(=O)O)O)CO	8TU	(6r,8s,9s)-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid
+CC(=O)N1CCN(CC1)c2ccncc2	8TV	1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one
+C1=S[C@H]2[C@@H]([C@@H]1C(=O)O)C(C2(Cl)Cl)(O)O	8TW	(1~{s},4~{r},5~{s})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid
+C12=C(NC(=O)NC1=O)NC(=S)N2	8TX	8-thioxo-3,7,8,9-tetrahydro-1h-purine-2,6-dione
+CC(=O)N1CCN(CC1)S(=O)(=O)C	8TY	1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one
+CCCc1cc(ccc1[C@@H](c2[nH]ccn2)O)F	8TZ	(~{s})-(4-fluoranyl-2-propyl-phenyl)-(1~{h}-imidazol-2-yl)methanol
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Oc3ccc4ccccc4c3	8U0	n-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide
+CC(=O)NCc1ccc(cc1)OC	8U1	n-[(4-methoxyphenyl)methyl]acetamide
+COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCCCC3CC4Cc5c(c(c6ccc(cc6n5)Cl)N)C(C4)C3	8U2	2-{1-[4-(12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1h-1,2,3-triazol-4-yl}-n-[4-hydroxy-3-methoxybenzyl]acetamide
+CS(=O)(=O)Nc1ccc(c(c1)F)F	8U3	n-[3,4-bis(fluoranyl)phenyl]methanesulfonamide
+CC(=O)NCc1cccc(c1)Cl	8U4	n-[(3-chlorophenyl)methyl]acetamide
+CC1C[C@@H]2CC(C1)Cc3c2c(c4ccc(cc4n3)Cl)NCCCCCCCCCC(=O)NCc5ccc(c(c5)OC)O	8U5	e)-10-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)-6-decenamide
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc4ccccc4c3	8U6	n-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide
+CNC(=O)NC1CCN(CC1)Cc2ccccc2	8U7	n-(1-benzylpiperidin-4-yl)-n'-methylurea
+CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)O)O)O)O	8U8	(2~{r},3~{s},4~{s},5~{r},6~{s})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
+c1cc(ccc1C(=O)O)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc(c(c3)C(F)(F)F)Cl	8U9	4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid
+CC(=O)NCc1ccccn1	8UA	n-[(pyridin-2-yl)methyl]acetamide
+c1ccc2c(c1)NC(=O)C(=N2)C=Cc3cccs3	8UB	3-(2-thiophen-2-ylethenyl)-1~{h}-quinoxalin-2-one
+Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)c5ccncc5)C#N)N	8UC	(3~{s})-6'-azanyl-7-fluoranyl-2,2,3'-trimethyl-5-pyridin-4-yl-spiro[1~{h}-indene-3,4'-2~{h}-pyrano[2,3-c]pyrazole]-5'-carbonitrile
+CNC(=O)c1cccnc1N	8UD	2-amino-n-methylpyridine-3-carboxamide
+CC1=C[C@@H]2C[C@H](C1)Cc3c2c(c4ccc(cc4n3)Cl)NCc5ccc(cc5)CC(=O)NCc6ccc(c(c6)OC)O	8UE	 4-{[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-n-(4-hydroxy-3-methoxybenzyl)benzamide
+Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)N5CCC(CC5)CC(=O)O)C#N)N	8UF	2-[1-[(3~{s})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{h}-indene-3,4'-2~{h}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid
+CCOC(=O)[C@H]1CCc2c(c[nH]n2)C1	8UG	ethyl (5s)-4,5,6,7-tetrahydro-2h-indazole-5-carboxylate
+CC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1	8UH	6-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)hexanamide
+CS(=O)(=O)NC[C@@H]1CC(=O)N(C1)C2CCCC2	8UJ	n-{[(3r)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide
+CC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1	8UK	 7-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)heptanamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)C(=O)O)C(C)C)C#N)N	8UL	1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidine-4-carboxylic acid
+CC[C@]1(CC(=CNC1=O)c2ccc(s2)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O)C	8UM	5-[(5s)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-n-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide
+C[C@@H](C1CCCCC1)n2c3ccc(cc3nc2c4cc5c(cc4Br)OCO5)C(=O)Nc6ccc(cc6)C#N	8UN	2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{n}-(4-cyanophenyl)-1-[(1~{s})-1-cyclohexylethyl]benzimidazole-5-carboxamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CC(=O)O)C(C)C)C#N)N	8UO	2-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid
+[H]/N=C(/c1ccc2ccc(c(c2c1)OCCCBr)OC)\N	8UP	8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide
+CC1C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1	8UQ	8-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)octanamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)N4CCC(CC4)CC(=O)O)C(F)(F)F)C(C)C)C#N)N	8UR	2-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]ethanoic acid
+c1cc(sc1N2CC[C@H](C2)O)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O	8US	n-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3r)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)N4CCC(CC4)CCC(=O)O)C(F)(F)F)C(C)C)C#N)N	8UU	3-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid
+COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccnc(c3)N	8UV	n-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
+C[C@@H](C(=O)O)N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(=O)O)C(=O)O	8UX	(2~{s})-4-[[(2~{r})-3-(1~{h}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{s})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
+c1cc(n2c(c1)ncn2)c3ccc(cc3)C#N	8UY	4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)O)N	8UZ	tc007
+c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)CCN	8V0	(2~{s})-2-(3-azanylpropanoylamino)-3-(1~{h}-imidazol-4-yl)propanoic acid
+Cn1cc(c2c1ccc(c2)Oc3ccc(cc3)NC(=O)[C@@H]4CCCN4)c5cnn(c5)C	8V1	(2s)-n-[4-[1-methyl-3-(1-methylpyrazol-4-yl)indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)OC)C=C6	8V2	methyl (3~{s},7~{r},10~{r},13~{r})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylid ene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3, 7}]tridec-8-ene-13-carboxylate
+Cn1cncc1C[C@@H](C(=O)O)NC(=O)CCN	8V3	(2~{s})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
+CCn1cc(cn1)NC(=O)c2ccoc2	8V4	n-(1-ethyl-1h-pyrazol-4-yl)furan-3-carboxamide
+c1cc(sc1c2cnc(o2)C(=O)N3CCOCC3)S(=O)(=O)N	8V5	5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
+Cc1ccc(cc1)C#CCO[C@H]2CC([C@](C(=C2)C)(/C=C/C(=C\C(=O)O)/C)O)(C)C	8V6	(2z,4e)-3-methyl-5-[(1s,4s)-2,6,6-trimethyl-4-[3-(4-methylphenyl)prop-2-ynoxy]-1-oxidanyl-cyclohex-2-en-1-yl]penta-2,4-dienoic acid
+CC(C)n1cnnc1c2nc(cs2)C(=O)Nc3ccccn3	8V7	2-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]-n-(pyridin-2-yl)-1,3-thiazole-4-carboxamide
+Cc1ncc(o1)c2ccc(cc2)S(=O)(=O)N	8V8	4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccc(cc3)O)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	8V9	(4r)-3-[(2s,3s)-3-[[(2r)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+c1cc(cc(c1)NC(=O)c2ccc(s2)C(=O)c3cccc(c3)I)CC(C(=O)O)C(=O)O	8VB	2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid
+Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C)N(C)CCN(C)C	8VC	(4r)-3-[(2s,3s)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+c1c(ncnc1NC2CCNCC2)C(F)(F)F	8VD	n-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
+CN1[C@H]2CN[C@@H]([C@H]2C(=N1)C(=O)O)C(=O)O	8VE	(3~{a}~{r},4~{s},6~{a}~{r})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{h}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid
+CCN(CCN)c1cc(c(c(c1)C)OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C	8VF	(4r)-3-[(2s,3s)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+Cc1cccc(c1)C	8VH	1,3-dimethylbenzene
+CCN(c1cc2c(cc1N3CCNC[C@H]3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC	8VI	n-[1,3-dimethyl-6-[(2r)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-n-ethyl-2-methoxy-benzamide
+CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N	8VJ	7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
+CC[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)OCC	8VK	ethyl (3~{s},7~{r},10~{r},11~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate
+C[C@H](c1ccc(c2c1cccc2)Br)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N	8VL	4-[2-[[(2r)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid
+CCC(CC)(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)c2cc(c(s2)C(=O)Nc3[nH]nnn3)C	8VM	5-(3-{4-[(2s)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-3-methyl-n-(1h-tetrazol-5-yl)thiophene-2-carboxamide
+C1[C@H]2[C@@H]([C@H](N1)C(=O)O)C(=NO2)C(=O)O	8VN	(3~{a}~{s},4~{s},6~{a}~{r})-4,5,6,6~{a}-tetrahydro-3~{a}~{h}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccc(cc3)N)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	8VO	(4r)-3-[(2s,3s)-3-[[(2r)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O	8VR	(2r,4ar,6r,7r,8r,8ar)-2-methyl-6,7,8-tris(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
+CNC(=O)[C@H](Cc1cccc(c1)Br)NC(=O)[C@H](Cc2ccc(cc2)C(=O)N)NC(=O)[C@@H](c3ccccc3)C4CCCCC4	8VS	4-carbamoyl-n-[(2r)-2-cyclohexyl-2-phenylacetyl]-l-phenylalanyl-3-bromo-n-methyl-l-phenylalaninamide
+CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cccc(c3)OC)O)O)NC(=O)c4cccc(c4)OC	8VT	~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-2-acetamido-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide
+CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N	8VU	(r)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one
+C[N](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)N)C(=O)O	8VV	(2~{s})-3-[2-[(2~{r})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfinyl-1~{h}-imidazol-4-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid
+CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)NC(=O)c3cccc(c3)OC	8VW	~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-2-acetamido-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide
+CN(C)/N=C\1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)S(=O)(=O)C	8VX	(r)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-n-(3-(methylsulfonyl)phenyl)acetamide
+c1cc(cc(c1)CBr)CBr	8VY	1,3-bis(bromomethyl)benzene
+CCCOC(=O)N1CCN([C@H](C1)C)C(=O)c2ccc3cc4c(nc3c2)C[C@@H](CC4)CN	8W0	propyl (3~{s})-4-[[(6~{r})-6-(aminomethyl)-5,6,7,8-tetrahydroacridin-3-yl]carbonyl]-3-methyl-piperazine-1-carboxylate
+CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F	8W1	(5s)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2h)-one
+c1ccc2c(c1)C(=O)NC(=N2)NCCCNCc3cc4c([nH]3)cc(cc4Cl)Cl	8W2	2-[3-[[4,6-bis(chloranyl)-1~{h}-indol-2-yl]methylamino]propylamino]-3~{h}-quinazolin-4-one
+CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N2C/C(=N/Oc3ccccc3)/NC[C@H](C2=O)Cc4cc(ccc4OC)Cl	8W3	2-amino-4-((r)-1-((r,z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid
+CCc1cn2c3c1cc(cc3N(S(=O)(=O)C(C2)(C)C)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H]([C@H]5C(=O)N(CCN5)Cc6ccccc6)O	8W4	n-{(1s,2s)-1-[(2s)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide
+CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C	8W5	(1~{s},2~{s},4~{r},6~{r},8~{s},9~{s},11~{s},12~{s},13~{r})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one
+CC[C@H](c1ccc(cc1)C(=O)O)NC(=O)N2C/C(=N/OCC)/NC[C@H](C2=O)Cc3cc(ccc3OC)Cl	8W6	4-((r)-1-((r,z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid
+c1cc2c(c(c1)OCc3ccc(cc3)CN4CCOCC4)CN(C2=O)[C@H]5CCC(=O)NC5=O	8W7	(3s)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2h-isoindol-2-yl]piperidine-2,6-dione
+C[C@@H]([C@@H](c1cccc(c1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F	8W8	2,2,2-tris(fluoranyl)-~{n}-[(1~{r},2~{s})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide
+CN1c2ccc(cc2N(C1=O)C)CN	8W9	5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one
+CN(CCN[C@@H]1CCNc2c1cc(cc2Cl)Cl)c3[nH]c4ccc(nc4n3)Cl	8WA	n~1~-(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)-n~2~-[(4r)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-n~1~-methylethane-1,2-diamine
+COc1ccc(c(c1OC)OC)C2=CC=C(C(=O)C=C2)OC	8WB	2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
+Cc1ccc(cc1)c2c(cc(cn2)OCC3CCNCC3)c4ccc(cc4)C#N	8WC	4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile
+c1c(onc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)C4CCC(CC4)N)C5CC5	8WD	n-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
+C/C=C/C=C\C(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2C[C@@H](C[C@@H](O2)CCCC(=O)C[C@@H](CCCC(=O)O1)C)C)/C)O	8WE	(2~{z},4~{e})-~{n}-[(~{s})-oxidanyl-[(1~{s},2~{e},5~{s},11~{r},17~{s},19~{r})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide
+CCCCCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O	8WF	2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol
+c1cc(ccc1Cn2cc(cn2)CN3CC(C3)NC(=O)c4cn(nn4)C5CC5)Cl	8WG	n-[1-({1-[(4-chlorophenyl)methyl]-1h-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1h-1,2,3-triazole-4-carboxamide
+c1cc(cc(c1)C(=O)O)Cn2cc(nn2)c3cccc4c3N=C(CC4=O)N5CCOCC5	8WH	3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{h}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid
+c1csc(n1)NC(=O)[C@H](CC2CCCCC2)N3C=CC(=CC3=O)S(=O)(=O)C4CCCC4	8WJ	(2s)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2h)-yl]-n-(1,3-thiazol-2-yl)propanamide
+c1cc(ccc1n2c3c(cn2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C(F)F)n5ccc(n5)F)O)F	8WK	5-[[1-[(3~{s})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one
+c1cc2c(cnn2[C@@H](CC3CCOCC3)C(=O)Nc4ncc(s4)F)c(c1)S(=O)(=O)C5CC5	8WM	(2s)-2-[4-(cyclopropylsulfonyl)-1h-indazol-1-yl]-n-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
+CCS(=O)(=O)Nc1ccccc1c2ccc(cc2)C(=O)N3CCC(CC3)(CN4C=Nc5c(cnn5C)C4=O)O	8WN	~{n}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide
+CN1CC(=CC=C1OC)C(=O)N	8WO	6-methoxy-1-methyl-2h-pyridine-3-carboxamide
+c1c2n(nc1C(F)(F)F)C=C(NC2=O)CC(=O)N	8WP	2-[(8s)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide
+C1[C@@H]([C@@H]([C@H](N1)C(=O)O)C(=O)C(=O)O)O	8WQ	(2~{s},3~{r},4~{r})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid
+CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)N/C(=C\c3cccc(c3)C(=O)c4ccccc4)/C(=O)N2	8WR	(3z,6z)-3-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]-6-[[3-(phenylcarbonyl)phenyl]methylidene]piperazine-2,5-dione
+CC(=O)NCCCC[C@@H](C(=O)NC)NC(=O)C	8WS	(2s)-2,6-diacetamido-n-methyl-hexanamide
+CSc1[nH]c2c(ncnc2n1)N	8WT	8-methylsulfanyl-7~{h}-purin-6-amine
+CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)O)OC)OC)C	8WU	(e)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one
+CC(C)C12=C3[Os]1456(C2=C4C5(=C63)C)(Cl)Cl	8WV	dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium
+c1ccc(cc1)CCSc2c3c(nc[nH]3)nc(n2)N	8WW	6-(2-phenylethylsulfanyl)-7~{h}-purin-2-amine
+Cc1c(n2cccc(c2n1)OCc3ccccc3)CC#N	8WX	2-(2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-3-yl)ethanenitrile
+CC(CC[C@@H](C(=O)O)N)(O)O	8WY	5,5-dihydroxy-l-norleucine
+Cc1cc(c2c(c1)nc(o2)N)c3ccco3	8WZ	7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine
+CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(cc3)OC)OC)C	8X0	(e)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCN4)O)O)N	8X1	5'-o-{[(2s)-azetidine-2-carbonyl]sulfamoyl}adenosine
+CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4cc5c([nH]4)CCNC5=O	8X2	2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
+C(CS(=O)(=O)O)O	8X3	2-hydroxyethylsulfonic acid
+c1ccc(cc1)CN2CCc3c(cc([nH]3)c4ccnc(n4)NC5CCOCC5)C2=O	8X5	2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+c1ccc(cc1)c2csc(n2)N3CCN(CC3)C(=O)N	8X6	4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
+CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O	8X7	1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O	8X8	~{tert}-butyl ~{n}-[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]carbamate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)O)O)O)N	8XA	9-(5-o-phosphono-beta-d-xylofuranosyl)-9h-purin-6-amine
+Cc1cnc(nc1c2cc3c([nH]2)C[C@H](N(C3=O)CCOC)C)Nc4ccnn4C	8XB	(6~{r})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O	8XC	4-amino-1-(5-o-phosphono-beta-d-xylofuranosyl)pyrimidin-2(1h)-one
+Cn1c(ccn1)Nc2nccc(n2)c3cc4c([nH]3)CCN(C4=O)CCOC	8XE	5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+c1c(ncnc1N)C(F)(F)F	8XF	6-(trifluoromethyl)pyrimidin-4-amine
+c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	8XG	2-amino-9-(5-o-phosphono-beta-d-xylofuranosyl)-1,9-dihydro-6h-purin-6-one
+COCCN1CCc2c(cc([nH]2)c3ccnc(n3)NC4CCOCC4)C1=O	8XH	5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+Cc1ccc(cc1c2ccc3c(c2F)c(c(o3)c4ccc(cc4)F)C(=O)NC)C(=O)NC5(CC5)c6ncccn6	8XJ	4-fluoro-2-(4-fluorophenyl)-n-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
+Cn1c(ccn1)Nc2nccc(n2)c3cc4c(n3C)CCN(C4=O)CCOC	8XK	5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
+[C-]#[N+]/C=C\c1c[nH]c2c1cccc2	8XL	3-[(z)-2-isocyanoethenyl]-1h-indole
+CC(C)(C(=O)Nc1nncs1)NC(=O)c2cccc(c2)c3ccc4c(c3)c(c(o4)c5ccc(cc5)F)C(=O)NC	8XM	2-(4-fluorophenyl)-n-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide
+Cc1cnc(nc1c2cc3c([nH]2)C[C@@H](N(C3=O)CCOC)C)Nc4ccnn4C	8XN	(6~{s})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+C(CCCCCCN=[N+]=[N-])CCCCC/C=C/C(=O)/C=N/CC(=O)O	8XO	2-[e-(e-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid
+CC(C)(C)NC(=O)c1cccc(c1)c2ccc3c(c2)c(c(o3)c4ccc(cc4)F)C(=O)NC	8XP	5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide
+c1cc2c(ccc(c2nc1)O)C(=O)O	8XQ	8-hydroxyquinoline-5-carboxylic acid
+Cc1ccc(c(c1)C)NC(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CCCC4	8XR	(3~{r})-4-cyclopentyl-~{n}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{h}-quinoxaline-6-carboxamide
+CNC(=O)c1c2cc(ccc2oc1c3ccc(cc3)F)c4cccc(c4)C(=O)O	8XS	3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
+CCNC(=O)c1cc2c(ccnc2[nH]1)N3CCOC[C@@H]3C	8XT	~{n}-ethyl-4-[(3~{s})-3-methylmorpholin-4-yl]-1~{h}-pyrrolo[2,3-b]pyridine-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O	8XU	1-(5-o-phosphono-beta-d-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione
+c1cc2c(cc1OCC(=O)N)S(=O)(=O)N=C(N2)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O	8XV	2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide
+CC(=O)SC[C@@H](CCCCc1ccccc1)P(=O)(O)O	8XW	[(2~{r})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid
+Cc1ccc(cc1)N(C)C(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CC4	8XX	(3~{r})-4-cyclopropyl-~{n},1,3-trimethyl-~{n}-(4-methylphenyl)-2-oxidanylidene-3~{h}-quinoxaline-6-carboxamide
+c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br	8XY	6-bromo-n-(1h-indol-4-yl)-1-benzothiophene-2-carboxamide
+CC(=O)SC[C@@H](CCCc1ccccc1)P(=O)(O)O	8XZ	[(2~{r})-1-ethanoylsulfanyl-5-phenyl-pentan-2-yl]phosphonic acid
+c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)CCCCCCCCCCCC/C=C/C(=O)/C=N/CC(=O)O)C(=O)CCCCCNC(=O)C(F)(F)F	8Y0	(e)-n-[(3e)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1h-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine
+c1ccc(cc1)[C@H](CN)N2CCc3c(csc3C2=O)c4cccnc4	8Y1	6-[(1r)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccccc4	8Y2	2-(4-ethylsulfonylphenyl)-~{n}-[4-(2-phenylmethoxypyridin-3-yl)thiophen-2-yl]ethanamide
+Cn1c2c(nc1SCC(=O)Nc3ccccc3)C(=O)NC(=N2)N	8Y4	2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]-n-phenylacetamide
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4cccc(c4)C#N	8Y5	~{n}-[4-[2-[(3-cyanophenyl)methoxy]pyridin-3-yl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+c1coc2c1c(cc3c2c(c(n3Cc4cc5c(cc4F)N=CNC5=O)C(=O)O)C6=CC=CNC6=O)F	8Y6	4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3h-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1h-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
+Cn1c2c(nc1SCC(=O)O)C(=O)NC(=N2)N	8Y7	[(2-amino-9-methyl-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]acetic acid
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cc(ccc3OC)C#N	8Y8	~{n}-[4-(5-cyano-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+[H]/N=C(/N)\N[C@@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	8Y9	[(2~{r},3~{s},5~{r})-5-[(5~{s})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methy l dihydrogen phosphate
+Cc1ccc2c(c1c3c(cc4c(c3F)ncnc4N5CCN(CC5)C(=O)CCN)Cl)cn[nH]2	8YA	3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1h-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3Cl)c4cccc(c4)Cl	8YB	~{n}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+C1CCC(C1)(CO)NCC(=O)N2[C@H](CC[C@H]2C#N)C#N	8YC	(2s,5r)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile
+CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(ccc5c4cn[nH]5)C)Cl	8YD	1-{4-[6-chloro-8-fluoro-7-(5-methyl-1h-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one
+CCCc1cc(no1)C(=O)n2cc3cnn(c3c2)CCO	8YE	[1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
+[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O	8YF	(2r)-2-[(2s,3r)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1h-pyrrole -5-carboxylic acid
+CCCCNC(=O)N1CCC(CC1)C	8YH	~{n}-butyl-4-methyl-piperidine-1-carboxamide
+c1ccn(c1)[C@@H](Cc2cnc[nH]2)C(=O)O	8YI	(2s)-3-(1h-imidazol-5-yl)-2-(1h-pyrrol-1-yl)propanoic acid
+c1ccc(c(c1)C(=O)O)SCC(=O)c2ccc(cc2)Cl	8YJ	2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	8YL	(2s,3r)-2-[(2s,3r)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1h-pyrrole-5-carboxylic acid
+CC(=O)c1ccccc1Sc2ccccc2C(=O)O	8YM	2-[(2-acetylphenyl)sulfanyl]benzoic acid
+C1[C@@H]([C@H](O[C@H]1C2=CN=C(NC2=O)N)COP(=O)(O)O)O	8YN	pseudoisocytidine
+COc1cccc2c1oc(c2)C(=O)O	8YO	7-methoxy-1-benzofuran-2-carboxylic acid
+CCCCCCCCCC=O	8YP	decanal
+Cc1c(cccc1c2ccc3c(c2)OC=CO3)COc4cc(c(cc4Cl)C[C@@H]5[C@@H](C[C@H](N5)O)C(=O)O)OCc6cccc(c6)CN	8YQ	(2~{r},3~{r},5~{r})-2-[[2-[[3-(aminomethyl)phenyl]methoxy]-4-[[3-(1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-chloranyl-phenyl]methyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid
+C1COC[C@H]1[C@@H](C(=O)O)N	8YR	(2s)-2-azanyl-2-[(3r)-oxolan-3-yl]ethanoic acid
+C[C@@H]1C[C@H]1c2ccc(o2)CCC(=O)N3CCC(CC3)C(=O)N	8YT	1-[3-[5-[(1~{r},2~{r})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide
+Cc1cccc(c1CN)C	8YU	(2,6-dimethylphenyl)methanamine
+C([C@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O	8YV	2-keto-d-gluconic acid
+c1cc(ccc1[C@H](CNC(=O)c2ccc3c(c2)OCO3)O)[N+](=O)[O-]	8YW	~{n}-[(2~{r})-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide
+Cc1cc(c(cc1OCc2cccc(c2C)c3ccc4c(c3)OCCO4)OCc5cccc(c5)C#N)CN[C@H](CO)C(=O)O	8YZ	(2~{r})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid
+Cc1cccc(c1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H]([C@H]4CCOC4)NC(=O)c5cc6cccc(c6o5)OC)O)(C)C)C	8Z0	(4r)-n-[(2,6-dimethylphenyl)methyl]-3-[(2s,3s)-3-[[(2s)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3r)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+Cc1c2c([nH]n1)OC(=C([C@@]2(c3cc(cc(c3)N4CCCC4)C(F)(F)F)C(C)C)C#N)N	8Z1	(4r)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
+CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	8Z2	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{e})-dodec-2-enethioate
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)N5CC[C@H](C5)O)OC	8Z4	(4as,8ar)-4-(3-{4-[(3r)-3-hydroxypyrrolidine-1-
+c1cc(cc(c1)I)CBr	8Z5	alpha-bromo-3-iodotoluene
+C=C1C(=O)CC(CC1=O)c2cccs2	8Z6	2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione
+c1ccc(cc1)CN2CCC(CC2)NC(=O)Nc3cccc(c3)C(F)(F)F	8Z7	n-(1-benzylpiperidin-4-yl)-n'-[3-(trifluoromethyl)phenyl]urea
+COC1C[C@H]2CC[C@@H](C1)N2c3c(c(nc4n3ncn4)Cl)c5c(cc(cc5F)F)F	8Z8	5-chloranyl-7-[(1~{r},5~{s})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
+CCCCN1CCC(CC1)N(Cc2ccccc2)C(=O)Nc3ccc(c(c3)Cl)Cl	8ZA	n-benzyl-n-(1-butylpiperidin-4-yl)-n'-(3,4-dichlorophenyl)urea
+CCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	8ZB	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol
+CCC[C@@H](C)N1CCC(CC1)N(Cc2ccccc2NC(=O)CC)C(=O)Nc3cccc(c3)C(F)(F)F	8ZD	n-{2-[({1-[(2r)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide
+c1cc2c(cc1CO)OCCO2	8ZE	2,3-dihydro-1,4-benzodioxin-6-ylmethanol
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl	8ZG	1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCNCC4)Cl	8ZH	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide
+CNC(=O)c1ccn2c1nc(cc2O)c3ccccc3	8ZJ	4-hydroxy-n-methyl-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide
+CCc1cc(cc(c1)Nc2ncc(s2)C(=O)Nc3c(cccc3Cl)C)C(=O)NC4CCNCC4	8ZK	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide
+CNC(=O)CCC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@@H](NC2=O)C(=O)N(C)C	8ZL	(5s,8r)-n,n-dimethyl-8-[[(2s)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
+c1ccc(cc1)c2cc(n3c(n2)nnn3)O	8ZM	5-phenyltetrazolo[1,5-a]pyrimidin-7-ol
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(F)(F)F)C(=O)NC4CCNCC4)Cl	8ZN	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide
+C=CCOC(=O)[C@@H]1CS(=O)(=O)c2c1cccc2	8ZO	prop-2-enyl (3r)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
+c1ccc(cc1)c2cc(n3ccc(c3n2)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O	8ZP	(1r,2s)-2-[(4-hydroxy-2-phenylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]cyclohexane-1-carboxylic acid
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(=O)NC4CCNCC4)c5ccccc5N)Cl	8ZQ	2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+CC1=CC=CC2=[N]1[Cu]3[N](=C2)NC(=[S]3)N(C)C	8ZR	~{n},~{n},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine
+C[C@@H](CO)NC(=O)c1ccn2c1nc(cc2O)c3ccccc3	8ZS	4-hydroxy-n-[(2s)-1-hydroxypropan-2-yl]-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)Cl	8ZT	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide
+CCCc1ccc(cc1)C(=O)O	8ZU	4-propylbenzoic acid
+COCCOc1cc(cc(c1)OCCOC)C(=O)NCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3	8ZV	2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)Cl	8ZW	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide
+COc1ccc(cc1)C(=O)N	8ZX	4-methoxybenzamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNC[C@H]4F)Cl	8ZZ	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{r},4~{r})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
+COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)Nc5ccc(cc5)Cl	900	n-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
+CCc1cc(ccc1N(c2ccccc2C(=O)O)C(=O)C(=O)O)C[C@@H](C(=O)NCCCCC(=O)N[C@@H](CCSC)C(=O)O)NC(=O)C	901	2-[(4-{2-acetylamino-2-[4-(1-carboxy-3-methylsulfanyl-propylcarbamoyl)-butylcarbamoyl]-ethyl}-2-ethyl-phenyl)-oxalyl-am ino]-benzoic acid
+c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)c5n[nH]nn5)OCC(=O)O)Br	902	{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2h-tetrazol-5-yl)-3-thienyl]oxy}acetic acid
+CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)OC)C(C(=O)O)(C(=O)O)F)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	903	2-{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-methoxycarbonyl-phenyl}-2-fluoro-malonic acid
+CCN(C)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cnc(nc4)C5CC5)F	904	n'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-n-ethyl-n-methylsulfuric diamide
+[H]/N=C(/c1ccc(cc1O)N[C@H](c2cc(cc(c2F)OCC)OCC)C(=O)NS(=O)(=O)c3cccc(c3)N)\N	905	(r)-4-[2-(3-amino-benzenesulfonylamino)-1-(3,5-diethoxy-2-fluorophenyl)-2-oxo-ethylamino]-2-hydroxy-benzamidine
+CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)N	906	1-(2-aminopyridin-4-yl)-3-[(3s)-5-{4-[(e)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one
+Cc1cc(c(c(c1)Br)[O-])c2cc3cc(ccc3[nH]2)C(=[NH2+])N	907	2-{5-[amino(iminio)methyl]-1h-indol-2-yl}-6-bromo-4-methylbenzenolate
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)NCC(=O)N)OC	908	4-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(2-azanyl-2-oxidanylidene-ethyl)benzamide
+Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5ccc(cc5)NC(=O)C)C(=O)C	909	n-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-pyrrol-3-yl]phenyl]ethanamide
+CC(=O)NCCOCCOCCOCCOCCC(=O)O	90A	2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)Br)C(=O)NC4CCNCC4)Cl	90B	2-[[3-bromanyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+CC(C)N1CCN(CC1)c2ccc(cc2)C(=C(CCCO)c3ccccc3)c4ccc(cc4)O	90C	4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
+CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)CCCNC)O	90D	methyl [(4s)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3r)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNCC4(F)F)Cl	90E	2-[[3-[[(4~{r})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+CCC(=O)Nc1cc(cc(c1Nc2c3cc(ccc3[nH]n2)O[C@H](C)c4c(cncc4Cl)Cl)F)N5CCC(CC5)N6CCOCC6	90F	~{n}-[2-[[5-[(1~{r})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{h}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide
+c1cc(ccc1c2cc([nH]n2)NC(=O)CS)Cl	90G	n-[3-(4-chlorophenyl)-1h-pyrazol-5-yl]-2-sulfanylacetamide
+c1cc(ccc1c2c[nH]nc2NC(=O)CS)F	90J	n-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]-2-sulfanylacetamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4cccc(c4)N)Cl	90K	2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@@H]([C@@H](C3)O)CCCO)O)C	90L	(1r,2r,3r)-5-[(e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol
+Cc1c(n[nH]c1NC(=O)CS)c2ccc(cc2)F	90M	n-[3-(4-fluorophenyl)-4-methyl-1h-pyrazol-5-yl]-2-sulfanylacetamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4nc(nc(n4)N)C)Cl	90N	2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@H]([C@@H](C3)O)CCCO)O)C	90O	(1r,2s,3r)-5-[(e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol
+CCN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCCC4)OC)OC	90P	n~2~-cyclohexyl-n~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-n~2~-methylquinazoline-2,4-diamine
+CC1=CC(=O)c2c(cccc2O)C1=O	90R	5-hydroxy-2-methylnaphthalene-1,4-dione
+CC(C)c1cc([nH]n1)C(=O)N2CC[C@@H](C2)n3cc(cn3)Br	90S	[(3s)-3-(4-bromo-1h-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1h-pyrazol-5-yl]methanone
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CC[C@@H](C4)C(=O)O)Cl	90T	(3~{s})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid
+CC(C)c1cc([nH]n1)C(=O)N2CC[C@H](C2)NC(=O)C3CC3	90V	n-{(3r)-1-[3-(propan-2-yl)-1h-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)O)Cl	90W	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CC(N(C(C4)(C)C)O)(C)C)Cl	90Z	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
+c1ccc(cc1)CNc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br	910	5-[3-(benzylamino)phenyl]-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
+CC(O)(P(=O)(O)O)P(=O)(O)O	911	(1-hydroxyethane-1,1-diyl)bis(phosphonic acid)
+Cc1cccc(c1NC(=O)C2CN/C(=N/c3cccc(c3)C(=O)NC4CCC(CC4)(C)O)/S2)Cl	912	(2~{z})-~{n}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide
+c1cc(cc(c1)n2cccn2)CN	913	(3-pyrazol-1-ylphenyl)methanamine
+c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OC[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)F)N	914	[(2r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic  acid
+Cc1cc(ccc1F)S(=O)(=O)N[C@H](C2CCOCC2)C(=O)NO	915	(2r)-2-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-n-hydroxy-2-tetrahydro-2h-pyran-4-ylacetamide
+CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Oc3c2cc(s3)CC(C)(C)C)(C)C)O	916	n-[(2s,3r)-4-{[(4s)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2h-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3cncs3	917	n-({(5s)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide
+c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F	918	5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
+CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC	919	4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1h-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-n-methylpyridine-2-carboxamide 
+CC(C)C[C@H](CN)N1CCc2c(csc2C1=O)c3cccnc3	91A	6-[(2r)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one
+CN1CCN(CC1)c2cccc(c2)CN	91B	1-[3-(4-methylpiperazin-1-yl)phenyl]methanamine
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4ccccc4F)Cl	91D	n~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NCC(C)(C)CN)Cl	91E	2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	91F	2-(4-methylsulfanylphenyl)-3h-quinazolin-4-one
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4cc(cc5c4cccc5)O)Cl	91G	n~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)C(=O)O)Cl	91H	4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid
+CN1CCC(CC1)CNC2=Nc3c(c4c(s3)CCCC4)C(=O)N2	91J	2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CC[C@@H](C4)CC(=O)O)Cl	91K	2-[(3~{r})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)C(=O)O)O	91L	1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4cccc5c4non5	91M	(5s,8r)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
+c1cc(sc1)c2ccnc3c2ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	91N	[(2~{r},3~{s},5~{r})-3-oxidanyl-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate
+COc1ccc(cc1)C(=O)/C=C\Nc2cc(c(cc2Cl)C(=O)O)OC	91O	5-chloro-2-methoxy-4[(1z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid
+Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)O)O	91P	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CN(C)CCc1c[nH]c2c1c(ccc2)O	91Q	3-[2-(dimethylamino)ethyl]-1~{h}-indol-4-ol
+c1c(cn(c1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#CC[C@@H](CO)O	91R	[[(2~{r},3~{s},5~{r})-5-[4-[(4~{s})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(cccc4F)O)Cl	91S	 (s)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one
+c1c(cn(c1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#CC[C@H](CO)O	91T	[[(2~{r},3~{s},5~{r})-5-[4-[(4~{r})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CC(=O)N[C@H](CC1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl	91U	n-acetyl-3-cyclohexyl-d-alanyl-n-(3-chlorobenzyl)-l-prolinamide
+c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCCNc4ccc5nncn5n4	91V	n-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine
+C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@H]4CC[C@H](O4)C(C)(C)O	91W	(1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{r},5~{s})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+c1ccc2c(c1)C(=O)c3ccc(cc3S2(=O)=O)c4[nH]nnn4	91X	3-(1h-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione
+c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)C4CCCCC4	91Y	3-[(cyclohexanecarbonyl)amino]-n-(2,3-dihydro-1h-inden-2-yl)pyrazine-2-carboxamide
+Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@@H]6[C@@H](C[C@@]6(C5)C)N	920	4-[(1s,5r,6r)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-n-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9h-pyrimido[4,5-b]indol-8-amine
+CC(=CCN(c1cccc(c1)Oc2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C	921	n-methyl-n'-(3-methylbut-2-en-1-yl)-n'-(3-phenoxyphenyl)-n-[trans-4-(pyridin-4-yl)cyclohexyl]urea
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)OCc2ccccc2)O	922	(5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+CC(C)([C@H]1Cc2cc(ccc2O1)/C=C\3/C(=C(C(=O)O3)c4ccc5c(c4)C[C@@H](O5)C(C)(C)O)O)O	923	(5z)-4-hydroxy-3-[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5h)-one
+c1ccc(cc1)CC(=O)N2CCc3c2ccc(c3)c4csc5c4c(ncc5)N	924	1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1h-indol-1-yl]-2-phenylethanone
+CC1(CC(CC(N1O)(C)C)NC(=O)c2cccc(c2)c3cc4nccc(n4n3)Nc5cccc(c5)O)C	925	3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-n-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide
+Cn1ccnc1Sc2cccc(c2)C3=CC=CC(=O)N3	926	6-{3-[(1-methyl-1h-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1h)-one
+CC(=CCN(c1cccc(c1)NC(=O)c2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C	927	n-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide
+c1cc(ccc1n2c(c(cn2)C#N)N)Cl	928	5-amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile
+CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](C)C[C@@H]([C@H](COCc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O	929	n-[(2s,3s,5r)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2s)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+CC1CCN(CC1)C(=O)[C@@H](Cc2ccc(cc2)NC(=O)CCc3ccc(cc3)Cl)NC(=O)CCC(C)C	92A	n-[(2r)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide
+C1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C(=O)O	92B	(3~{s},7~{r},10~{r},13~{s})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+Cn1cc(cn1)/C=C\2/c3cc(ccc3NC2=O)Cl	92C	(3z)-5-chloro-3-[(1-methyl-1h-pyrazol-4-yl)methylidene]-1,3-dihydro-2h-indol-2-one
+Cc1ccc(cc1c2cc(ncn2)N3CCOCC3)C(=O)Nc4cccc(c4)C(C)(C)C	92D	n-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide
+CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)NC(=O)C)C(=O)C	92E	~{n}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(C(=NC3=NC2=O)N)C#N)COP(=O)(O)O)O	92F	7-amino-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-2-oxo-2,3-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
+c1cc(ccc1c2csc(n2)N)O	92G	4-(2-amino-1,3-thiazol-4-yl)phenol
+CN(C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4	92H	~{n}-[[(3~{r})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-3-yl]methyl]-~{n}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3C[S@](=O)C[C@@H](NC2=O)C(=O)N(C)C	92I	(3s,5s,8r)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
+Cc1c(cc(cn1)NC(=O)c2cccc(c2)C(F)(F)F)c3cc(c(nc3)OC4CCOCC4)N5CCOCC5	92J	n-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide
+c1ccc(c(c1)C(=O)C(=O)O)N	92K	isatinic acid
+CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O	92L	2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione
+CN1c2cnc(nc2N(CCC1=O)C3CCCC3)Nc4ccc(cc4OC)N5CCC(CC5)O	92M	9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5h-pyrimido[4,5-b][1,4]diazepin -6(7h)-one
+B1(c2ccc(cc2CO1)Oc3ccc(cc3)C=O)O	92N	4-[(1-oxidanyl-3~{h}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde
+CCc1cccc2c1[nH]cc2C3CCNCC3	92O	7-ethyl-3-(piperidin-4-yl)-1h-indole
+COC(=O)c1c[nH]c2c1cccn2	92P	1h-pyrrolo[2,3-b]pyridine-3-carboxylic acid
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@H]4CCNC4)Cl	92Q	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{s})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
+CN(C)Cc1ccc(cc1)C2=Cc3c(cccc3OC)C(=O)N2	92R	3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2h)-one
+CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCC(=O)c5ccc(cc5)F	92S	1-(4-fluorophenyl)-4-[(10~{r},15~{s})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
+c1ccc(c(c1)n2c(nnc2C3CC(C3)N4c5ccc(cc5NC4=O)C#N)c6ccncn6)Cl	92T	1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{h}-benzimidazole-5-carbonitrile
+CCN1c2ccc(cc2N(S1(=O)=O)CC)C(=O)c3cnn(c3O)C	92U	[1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
+COc1ccc(cc1)n2c(c(cn2)C(=O)NCCCS)C(F)(F)F	92V	1-(4-methoxyphenyl)-n-(3-sulfanylpropyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxamide
+Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCN(C[C@@H]3C)C(=O)CN	92W	2-amino-1-[(3s)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one
+Cc1ccccc1N2C(=O)c3c(c(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C	92X	1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
+CN(C)C[C@H]1[C@H]2CC[C@](C2)([C@H]1O)c3ccccc3	92Y	(1r,2s,3r,4s)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol
+C1C=C(C(=O)N=C1)N	92Z	5-azanyl-3~{h}-pyridin-6-one
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@@H]5CCCN5	930	6-chloro-n-((3s)-2-oxo-1-{4-[(2s)-2-pyrrolidinyl]phenyl}-3-pyrrolidinyl)-2-naphthalenesulfonamide
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@H]5CCCN5	931	6-chloro-n-((3s)-2-oxo-1-{4-[(2r)-2--pyrrolidinyl] phenyl}-3-pyrrolidinyl)-2-naphthalenesulfonamide
+Cc1csc(c1c2[nH]ncn2)NC(=O)CN3c4ccccc4CCC3=O	932	n-[4-methyl-3-(1h-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2h)-yl)acetamide
+C[C@@H](C(C)(C)C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	933	2-cyclopropyl-n-[(2s)-3,3-dimethylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CC(=O)N1CCC(CC1)Nc2cccc3c2nc(nc3)Nc4cnn(c4)C	934	1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone
+[H]/N=C/c1cccc(n1)c2ccc(c(c2)C(F)(F)F)OCCCN3CCN(CC3)C	935	(e)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine
+Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-]	936	5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione
+CN1CCN(CC1)c2ccc(c(c2)Nc3ncc4c(n3)-c5c(c(nn5CCO)C(=O)N)CC4)OC(F)(F)F	937	1-(2-hydroxyethyl)-8-[[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino]-4,5-dihydropyrimido[5,4-g]indazole-3-carboxamide
+c1c(c(ncn1)Cl)N	938	4-chloranylpyrimidin-5-amine
+Cn1cc(cc1c2ccnc(n2)Nc3cc(ccc3OC(F)(F)F)N4CCN(CC4)C)C(=O)N	939	1-methyl-5-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1h-pyrrole-3-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NS(=O)(=O)NC2=O	93A	[3,4-dihydroxy-5r-(2,2,4-trioxo-1,2r,3s,4r-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
+C1CNC(=S)NC1	93B	1,3-diazinane-2-thione
+c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O	93C	n-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrimidine-5-carboxamide
+c1c(c(nc(n1)N)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	93D	(1r)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-o-phosphono-d-erythro-pentitol
+c1cc(c(nc1)N)Cl	93E	3-chloranylpyridin-2-amine
+CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCc5ccccc5OC	93F	(10~{r},15~{s})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene
+Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)N)O	93G	9-n-(3-carboxy-4-hydroxyphenyl)ketomethyl-7-n-methylguanine
+COc1ccc(cc1)CCNCCc2ccc(c(c2)O)O	93H	4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol
+CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3)N4CCOCC4	93I	7-methyl-2-morpholin-4-yl-9-[(1~{r})-1-phenylazanylethyl]-3~{h}-pyrido[1,2-a]pyrimidin-4-one
+CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F	93J	(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide
+c1cc(c(cc1C(=O)N)N)N	93K	3,4-bis(azanyl)benzamide
+Cc1nnc2n1nc(cc2NC3CCN(CC3)C)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4CNC5=O	93L	(1r,9s)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O	93M	(3r,5s,9r,26s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name)
+CN1CCN(CC1)CCCOc2ccc(cc2C(F)(F)F)c3cccc(n3)C#N	93N	6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile
+Cc1c(c(c(c(n1)C)C(=O)OC/C=C/c2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OCCOC	93O	2-methoxyethyl (2e)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O	93P	(3r,5s,9r,23s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name)
+Cc1cccnc1N	93Q	3-methylpyridin-2-amine
+CCOC(=O)c1c(nc(c(c1c2cccc(c2Cl)Cl)C(=O)OC)C)C	93R	ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCOCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl	93S	n,n'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide)
+Cc1c(c(n2c(n1)cc(n2)c3ccc(cc3)Br)C)CCC(=O)O	93T	3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
+Cc1c(c(c(c(n1)C)C(=O)OCCN(C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC	93U	2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
+COc1ccc(cc1)c2c(c(co2)C(=O)O)C(=O)O	93V	2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
+c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@H](Cc3c[nH]c4c3cccc4)C(=O)O)O	93W	(2~{r})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{h}-indol-3-yl)propanoic acid
+COc1ccc(cc1O)[C@H]2[C@@H](C(=O)N2c3cc(c(c(c3)OC)OC)OC)CO	93X	(3~{r},4~{r})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl	93Y	n,n'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
+C([C@@H]1[C@H]([C@@H]([C@H](C([C@H]1OS(=O)(=O)O)O)O)O)O)O	93Z	[(1~{s},2~{r},3~{r},4~{s},5~{r})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate
+Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)NCCO4)C	940	(2s)-2-[2-(3,4-dihydro-2h-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O	941	2-(4-{2-tert-butoxycarbonylamino-2-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)-butylcarbamoyl]-ethyl}-phenoxy)-malonic acid
+CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)c2ccccc2)N	942	n-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-n-methyl-benzamide
+C([C@@H]1[C@H]([C@@H]([C@H](C([C@@H]1OS(=O)(=O)O)O)O)O)O)O	945	[(1~{r},2~{r},3~{r},4~{s},5~{r})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate
+c1ccc2cc(ccc2c1)CNC[C@@H](c3ccc(c(c3)O)O)O	946	4-[(1~{r})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol
+CCc1cc(ccc1c2ccccc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	947	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-ethyl[1,1'-biphenyl]-4-sulfonamide
+C([C@H]1[C@@H]2[C@@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O	948	(1~{r},2~{s},3~{s},4~{r},5~{r},6~{r})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
+CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C	949	4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide
+CC(C)NC(=O)O[C@@H]1CC[C@](c2c1nnn2Cc3ccc(cc3)OC)(C)O	94A	(4r,7s)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate
+C([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O	94B	(1~{s},2~{s},3~{s},4~{r},5~{r},6~{s})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
+CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4F)Cl	94C	1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
+CC(C)Cc1c(nc(s1)N)c2ccc(o2)P(=O)(O)O	94D	{5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)O2)O)O)O)O	94E	(3~{a}~{r},4~{r},5~{s},6~{r},7~{r},7~{a}~{s})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol
+CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4C(F)(F)F)Cl	94F	1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one
+c1cc(ccc1S(=O)(=O)NC(=O)Nc2cc(ccn2)Br)Cl	94G	n-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide
+c1ccc(cc1)[C@H](CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4	94H	~{n}-[(1~{r})-2-azanyl-1-phenyl-ethyl]-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
+[H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2cncnc2)N3CCCCCC3)N	94I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl	94J	n,n'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
+Cc1c(cc(s1)c2ccccc2Cl)C(=O)N[C@@H](CN)c3ccccc3	94K	~{n}-[(1~{r})-2-azanyl-1-phenyl-ethyl]-5-(2-chlorophenyl)-2-methyl-thiophene-3-carboxamide
+Cc1cccc(c1N2C(=O)c3cc(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C	94L	3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
+Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N	94M	6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9h-purin-2-amine
+c1cc(c(c(c1)Br)O)Br	94N	2,6-bis(bromanyl)phenol
+c1ccc2c(c1)C3=NC4=NC(=O)N(C=C4C=C3C2=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O	94O	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-2h-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,6(3h)-dione
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC4(N=N4)CCC#C)O	94Q	~{s}-[2-[3-[[(2~{s})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 9-(3-but-3-ynyl-1,2-diazirin-3-yl)nonanethioate
+C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	94R	(3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol
+CC(C)Cc1cc(ccc1OC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br	94S	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-methoxy-3-(2-methylpropyl)benzene-1-sulfonamide
+CCCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O	94T	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate
+CCN(CC)c1ccc(cc1)NC(=O)c2cc3c([nH]2)ncs3	94U	n-[4-(diethylamino)phenyl]-4h-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
+c1ccc(c(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl	94V	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide
+COc1ccc2c(c1)sc(n2)N	94W	6-methoxy-1,3-benzothiazol-2-amine
+C/C(=C/[C@H](Cc1ccc(cc1)Br)O)/C(=O)O	94X	(2z,4s)-5-(4-bromophenyl)-4-hydroxy-2-methylpent-2-enoic acid
+c1cc(c(cc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Cl	94Y	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4-dichlorobenzene-1-sulfonamide
+c1cc(cc(c1)NC(=O)CCC(=O)N2CCN(CC2)c3ccc(cc3)F)C(=O)N	94Z	3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butanoyl]amino]benzamide
+CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)F	950	2-{5-[amino(iminio)methyl]-6-fluoro-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate
+c1ccc(c(c1)c2ccc(o2)/C=N/Nc3ccccc3C(=O)O)Cl	951	2-[(2e)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3cccc(c3)Oc4ccccc4	952	5-methyl-1-[(3~{s})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione
+c1cc(c(cc1C(F)(F)F)c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl	953	5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1h-pyrrole-3-carboxamide
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)SC)F)C)c4ccc(s4)C#N	954	5-{(2e,4ar,7ar)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile
+CN1c2ccccc2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)c4cccs4	956	1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CC2)c3cc(cs3)CC(C)(C)C)O	957	n-[(1s,2r)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide
+Cc1cccc(c1)c2nnc(o2)Cn3c4c(nc3N(C)C)N(C(=O)N(C4=O)C)C	958	8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione
+CC(=O)CNC(=O)OCc1ccccc1	959	benzyl (2-oxopropyl)carbamate
+c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O	95B	azotochelin
+c1ccc(cc1)CC(=O)Nc2cc(ccc2C(=O)N)[N+](=O)[O-]	95C	4-nitro-2-[(phenylacetyl)amino]benzamide
+Cn1cc(c2c1c(ccc2)OCC(=O)N)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	95D	2-[(3-{[(5-bromo-1,3-thiazol-2-yl)carbamoyl]sulfamoyl}-1-methyl-1h-indol-7-yl)oxy]acetamide
+CC[C@@H](CO)NCCN[C@@H](CC)CO	95E	ethambutol
+CCc1c(nc(nc1N2CCOCC2)N)C	95F	5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine
+Cn1c(c(c(n1)Cl)Cl)Oc2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	95G	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1h-pyrazol-5-yl)oxy]benzene-1-sulfonamide
+C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)c2ccc(cc2)[N+](=O)[O-])O	95H	~{n}-[(1~{r},2~{r})-1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propy l]-4-nitro-benzamide
+c1ccc(cc1)CNC(=S)N[C@@H](Cc2c[nH]cn2)C(=O)O	95I	n-(benzylcarbamothioyl)-l-histidine
+c1cc(sc1c2ccon2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	95J	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
+CC(C)CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]c(nn3)N	95K	1-(5-azanyl-4~{h}-1,2,4-triazol-3-yl)-~{n}-[2-(4-bromophenyl)ethyl]-~{n}-(2-methylpropyl)piperidin-4-amine
+c1cc2c(cc1F)c(c(cn2)C(=O)NN)N	95L	4-amino-6-fluoroquinoline-3-carbohydrazide
+CC(C)Cc1ccc(s1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br	95M	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
+CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]nc(n3)N	95N	1-(3-azanyl-1~{h}-1,2,4-triazol-5-yl)-~{n}-[2-(4-bromophenyl)ethyl]-~{n}-methyl-piperidin-4-amine
+Cc1nnc2n1cc(cc2N)C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O	95O	(1r,9s)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
+c1c(c(sc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Br	95P	4-bromo-n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide
+c1ccc(cc1)CN(CCc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N	95Q	1-(3-azanyl-1~{h}-1,2,4-triazol-5-yl)-~{n}-[2-(4-chlorophenyl)ethyl]-~{n}-(phenylmethyl)piperidin-4-amine
+COc1ccccc1[C@H]2CC(=O)NC3=C2C(=O)CCC3	95R	(4r)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1h,3h)-dione
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br	95S	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
+Cc1ccc2c(c1)[nH]nc2c3cccc(c3)NC(=O)C=C	95U	n-[3-(6-methyl-1h-indazol-3-yl)phenyl]prop-2-enamide
+Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	95V	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide
+CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cccc(n3)Oc4ccccc4	95W	5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione
+Cc1c(ccc2c1cc(cc2)O[C@@H](C)c3c(ccc(c3Cl)F)Cl)/C=C/C(=O)O	95X	(2e)-3-{7-[(1s)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)N3CCOCC3)Br	95Y	n-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)N)O)O)O	95Z	2-amino-2-deoxy-alpha-d-mannopyranose
+Cn1cc(cn1)c2cc3c(cnn3S(=O)(=O)c4cnc5n4nc(cc5)Cl)nc2	960	1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1h-pyrazol-4-yl)-1h-pyrazolo[4,3-b]pyridine
+CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C	961	3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid
+C[C@@H](CN(CCO)C[C@H](C)O)O	962	(2~{s})-1-[2-hydroxyethyl-[(2~{s})-2-oxidanylpropyl]amino]propan-2-ol
+COc1cc(cc(c1O)OC)C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O	963	(1r,9s)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
+CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)c2c(nccn2)C(=O)O	964	3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid
+c1ccc(cc1)C(C[N@](CCCOc2cccc(c2)CC(=O)O)Cc3cccc(c3Cl)C(F)(F)F)c4ccccc4	965	[3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid
+CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@H]([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@@H]6C(=O)c7ccc(cc7)OC)O)OC)OC(=O)C)OC)OC)COC	966	[(1s,2r,3r,4r,5r,6s,8r,9s,13s,16s,17r,18r)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate
+c1ccc2c(c1)c(cs2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	967	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-1-benzothiophene-3-sulfonamide
+c1ccc(c(c1)C(=O)O)N(c2cccc3c2cc(cc3)O)C(=O)C(=O)O	968	2-[(7-hydroxy-naphthalen-1-yl)-oxalyl-amino]-benzoic acid
+CC[C@@](C)(C1=CC(=O)c2c(cc3c(c2O1)C(=O)c4c(cccc4O)C3=O)C)O	969	11-hydroxy-2-[(2s)-2-hydroxybutan-2-yl]-5-methyl-4h-anthra[1,2-b]pyran-4,7,12-trione
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)N)Br	96A	n-{[4-bromo-6-(carbamoylamino)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
+c1ccc(cc1)[C@H]2CCCN2	96B	(2r)-2-phenylpyrrolidine
+CCOc1ccc(cc1)c2cn(nc2c3cc(c(c(c3)OC)OC)OC)C	96C	4-(4-ethoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)-1h-pyrazole
+c1cc(cc(c1)S(=O)(=O)NC(=O)Nc2cnc(cn2)C#N)OC(F)F	96D	n-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
+CCCN(CCCCCO)CCO	96E	5-[2-hydroxyethyl(propyl)amino]pentan-1-ol
+CC[C@](C)(C(=O)CC(=O)c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)C)O	96F	1,8-dihydroxy-2-[(4r)-4-hydroxy-4-methyl-3-oxohexanoyl]-3-methylanthracene-9,10-dione
+COc1ccc(cc1)c2ccc(s2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	96G	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
+C[C@@H](CN(C[C@H](C)O)C[C@H](C)O)O	96H	triisopropanolamine
+CCc1c(c(nc(c1C#N)N2CCC(CC2)N)N[C@H](c3ccccc3)C(=O)N)C#N	96I	(2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide
+Cc1cccc(c1)S(=O)(=O)NC(=O)Nc2c(c(ns2)C)Br	96J	n-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
+CCCN(CCC)CCCCCCO	96K	6-dipropylamino-1-hexanol
+Cc1nnc2n1nc(cc2NC3CCN(CC3)CC(C)(C)F)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4[C@H](NC5=O)C(C)C	96L	(1r,9s,12r)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
+CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C	96M	6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+CCc1c(c([nH]c1C(=O)NCc2cccc3c2cccc3)C)C(=O)C	96N	4-ethanoyl-3-ethyl-5-methyl-~{n}-(naphthalen-1-ylmethyl)-1~{h}-pyrrole-2-carboxamide
+Cn1cc(nn1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	96O	(1-methyl-1h-1,2,3-triazol-4-yl)methyl alpha-d-mannopyranoside
+c1cc(cc(c1)OC(=O)NC[C@@H](COC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)C(F)(F)F	96P	(2s)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate)
+c1cc(ccc1c2cc3cc(oc3c(c2)c4ccc(cc4)F)CNC(=O)/C=C/c5ccc(nc5)N)C(=O)N6CCC(CC6)(F)F	96Q	(~{e})-3-(6-azanylpyridin-3-yl)-~{n}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide
+c1cc2c(cc(nc2c(c1)O)N)n3ccnc3	96R	2-amino-4-(1h-imidazol-1-yl)quinolin-8-ol
+CCN1C(=CN(C1=O)Cc2[nH]c3ccc(nc3n2)Cl)Cc4ccc(cc4Cl)OC	96S	1-[(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2h-imidazol-2-one
+CC1(c2ccccc2[N+](=C1/C=C/C=C\3/C(c4ccccc4N3CCCO)(C)C)CCCO)C	96T	3-[(2~{z})-2-[(~{e})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol
+c1cn(cn1)c2cc(nc3c2cc(cc3O)O)N	96U	2-amino-4-(1h-imidazol-1-yl)quinoline-6,8-diol
+Cc1cc2c([nH]1)C(=O)N(C=C2C(=O)N(C)C3CCN(CC3)[C@@H](C)c4ccccc4)CC=C	96V	n,2-dimethyl-7-oxo-n-{1-[(1s)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-4- carboxamide
+CC(=O)Nc1cc(c2cccc(c2n1)O)Cn3ccnc3	96X	n-{8-hydroxy-4-[(1h-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
+Cc1cncc(n1)c2cc3c(cn2)cnn3c4cccc(n4)[C@H]5CNCCC5(F)F	96Y	1-{6-[(3r)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1h-pyrazolo[4,3-c]pyridine
+C1C=CC2=CCC(=C2C=C1)C[C@@H](C(=O)O)N	96Z	(2~{s})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid
+CC(=C)[C@H]1Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O1	970	(2r,6as,12as)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6ah)-one
+CN1CCN(CC1=O)c2cc3c(cn2)[nH]nc3c4cccc(n4)N5CCNCC5	971	1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1h-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one
+CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)Cl	972	2-{5-[amino(iminio)methyl]-6-chloro-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate
+c1ccc2c(c1)cccc2\C=C/3\C(=C(C(=O)O3)c4ccc(cc4)Cl)O	973	(5z)-3-(4-chlorophenyl)-4-hydroxy-5-(1-naphthylmethylene)furan-2(5h)-one
+Cn1ccnc1c2cccc(c2)Oc3c(c(c(c([nH+]3)Oc4cc(ccc4O)C(=N)N)F)N5CCC[C@H](C5)C(=O)O)F	974	1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy] pyridin-4-yl]piperidine-3-carboxylic acid
+c1cc(c(cc1CCO)O)O	975	4-(2-hydroxyethyl)benzene-1,2-diol
+CCC[C@@H](c1c(nc2ccc(cc2c1c3ccccc3)Cl)C)C(=O)O	976	(2s)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid
+c1ccc(cc1)c2c(c(nc(n2)N)O)Br	977	2-amino-5-bromo-6-phenylpyrimidin-4-ol
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCN5CCNCC5	979	5,6-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
+CC[C@H]1[C@H](CC(=O)N1c2ccc(c(c2)C(F)(F)F)C#N)O	97A	4-[(2s,3s)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
+CN1CCN(CC1)C(=O)c2ccc(cc2)Nc3ncc4c(n3)-c5ccc(cc5C(=NC4)c6c(cccc6F)F)Cl	97B	9-chloro-7-(2,6-difluorophenyl)-n-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5h-pyrimido[5,4-d][2]benzazepin-2-amine
+CCCCC(=O)OCCOCCC[C@@H](CC)O	97C	2-{[(4r)-4-hydroxyhexyl]oxy}ethyl pentanoate
+c1ccc(c(c1)n2c(nnc2c3ccncn3)c4ccc(cc4)N5c6ccc(cc6NC5=O)C#N)Cl	97E	1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{h}-benzimidazole-5-carbonitrile
+c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)N	97H	2-(3-aminophenyl)-3~{h}-quinazolin-4-one
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc4c(c3)c[nH]n4	97K	2-(2~{h}-indazol-5-yl)-3~{h}-quinazolin-4-one
+Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)CN)c4c(c5ccccc5s4)C#N	97L	(2m)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1h-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile
+CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)O	97M	(2r)-2,3-dihydroxypropyl (9z)-hexadec-9-enoate
+CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O	97N	(2s)-2,3-dihydroxypropyl (9z)-hexadec-9-enoate
+COc1ccc(cc1)c2c-3c(n[nH]2)CCc4c3cc(c(c4OC)OC)OC	97O	6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{h}-benzo[e]indazole
+c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)O	97Q	2,8-bis(trifluoromethyl)quinolin-4-ol
+c1ccc(c(c1)c2ccno2)O	97T	2-(1,2-oxazol-5-yl)phenol
+C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl	97U	(2~{s})-2-[[(3~{r})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid
+CS(=O)(=O)c1cccc(c1)NC(=O)N(Cc2ccc(cc2)C(=O)Nc3[nH]nnn3)c4ccc(cc4)C5CCCCC5	97V	4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-n-(1h-tetrazol-5-yl)benzamide
+c1cc2c(ccnc2cc1C(F)(F)F)O	97W	7-(trifluoromethyl)quinolin-4-ol
+Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)CN)c4ccc5ccccc5c4C#N	97X	(2p)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1h-pyrazol-5-yl}naphthalene-1-carbonitrile
+CC1(CC(C1)[C@H](c2ccc(cc2)C(=O)NCCC(=O)O)Nc3ccc(nc3)n4cc(nc4)C(F)(F)F)C	97Y	n-{4-[(r)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1h-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOCC4	97Z	2-[4-morpholin-4-yl]-3,4-dihydroquinazolin-4-one
+C[C@@H]1CC(=O)Nc2ccccc2N1	98	(4r)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O	980	(2s)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one
+CCN1c2c(cnc(n2)Nc3ccc(c(c3)F)N4CCNCC4)C=C(C1=O)c5ccc(cc5Cl)Cl	981	6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(piperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+c1cc2c(c(sc2nc1)C(=O)O)OCC(=O)O	982	3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid
+CC(C)[C@H](NS(=O)(=O)C[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O	983	(5s,9r,10r,12s)-12-[3-(aminomethyl)phenyl]-5-benzyl-10-hydroxy-9-isopropyl-3-oxo-1-phenyl-2-oxa-7-thia-4,8-diaza-10-phosphatridecan-13-oic acid 7,7,10-trioxide
+CCCn1c(c(nc1C2CCN(CC2)C)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CC5	984	cyclopropyl-{4-[5-(3,4-dichlorophenyl)-2-[(1-methyl)-piperidin]-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine
+C[N@]1CCCN(CC1)c2cncc(n2)c3cccc(c3)\C=C\C(=O)O	985	(2e)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid
+C[C@@H]1CC(=O)Nc2ccccc2N1	986	(4r)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+C[C@@H](C(=O)N1CCC[C@@H](C1)N)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl	987	n-[(3s)-1-{(2s)-1-[(3s)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamid e
+c1cc(cc(c1)[N+](=O)[O-])c2cc(cc3c2nccc3)Cc4ccncc4	988	8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline
+CCCCCNC(=O)[C@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)C	989	2-{[4-(2-acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-yl]-oxalyl-amino}-benzoic acid
+C[C@@H](c1ccccc1)N	98B	(1s)-1-phenylethanamine
+COc1ccc(cc1)CNCC(=O)NCc2ccc(cc2)OC	98C	n,n~2~-bis[(4-methoxyphenyl)methyl]glycinamide
+C[C@@H](c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O	98D	1-{6-[(1s)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+Cc1c(cc(cc1NC(=O)c2cnc(nc2)C)Cl)CN3CCN([C@H](C3)C)C(=O)C4CCCC4	98E	(s)-n-(5-chloro-3-((4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl)methyl)-2-methylphenyl)-2-methylpyrimidine-5-carboxamide
+C[C@H](c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O	98G	1-{6-[(1r)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+C[C@H](CC/C=C(\C)/CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C	98H	(5r,10s,13r,14r,17r)-17-((r,e)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthrene-3,7(4h)-dione
+C(CO)C(=O)CC(=O)O	98J	5-hydroxy-3-oxopentanoic acid
+c1ccc2c(c1)[nH]c(n2)Cl	98K	2-chloranyl-1~{h}-benzimidazole
+CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(c(c4)Cl)N5CCN(CC5)C)C(=O)N2CC=C)O	98M	6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+CCS(=O)(=O)c1ccc(nc1)CNC(=O)c2cc3c(nc2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	98N	(s)-n-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4s)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5h-pyrrolo[3,4-b]pyridine-3-carboxamide
+C[n+]1ccc(c(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl	98P	d-phenylalanyl-n-[(4-chloro-1-methylpyridinium-3-yl)methyl]-l-prolinamide
+COc1cc2cc[nH]c2cc1C(F)(F)F	98Q	5-methoxy-6-(trifluoromethyl)-1~{h}-indole
+CCCCCCCC=CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC/C=C/CCCCCCC	98R	[(2s)-2-[(e)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate
+COC(=O)c1ccc(c(c1)I)O	98T	methyl 3-iodanyl-4-oxidanyl-benzoate
+COC(=O)c1cc(cc(c1)O)C(=O)OC	98W	dimethyl 5-oxidanylbenzene-1,3-dicarboxylate
+c1ccc2c(c1)c(c[nH]2)C#N	98Z	1~{h}-indole-3-carbonitrile
+Cc1c2c(nc(n1)N)C[C@@H](NC2=O)c3ccc(cc3c4cccc(n4)OC)F	990	(7r)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6h)-one
+c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N	991	2-{5-[amino(iminio)methyl]-6-chloro-1h-indol-2-yl}-6-(cyclopentyloxy)benzenolate
+Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl	992	5-[[6-chloranyl-5-(1-methylindol-5-yl)-1h-benzimidazol-2-yl]oxy]-2-methyl-benzoic acid
+CNc1nccn1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl	993	3-chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide
+COc1cc(cc(c1OC)OC)Nc2ncnc(n2)c3cccnc3Nc4ccccc4	994	4-(2-anilinopyridin-3-yl)-n-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
+CC(C)CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)N)C(=O)c1nccs1	995	4-methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide
+CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Cc3c2cn(n3)CC(C)(C)C)(C)C)O	996	n-[(2s,3r)-4-{[(4s)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2h-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide
+C[C@@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC	997	1-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-4-phenoxy-pyrrolidine-2-carboxylic acid(1,2,3,4-tetrahydro-naphthalen-1-yl)-amide
+C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]2CCCc3c2cccc3)C(C)(C)C)NC	998	n-methylalanyl-3-methylvalyl-n-(1,2,3,4-tetrahydronaphthalen-1-yl)prolinamide
+[C@@H]([C@@H](C(=O)O)O)(C(=O)O)N	999	(3s)-3-hydroxy-d-aspartic acid
+Cc1cc(c(cc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5)C)C(=O)N	99A	n-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
+CC[C@@H](C)Nc1cc(c(cc1C(=O)N)C)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)C5CC5	99B	5-[(2r)-butan-2-ylamino]-n-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide
+Cc1ccc(cc1)C/C(=C\COP(=O)(O)OP(=O)(O)O)/CO	99C	(2e)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate
+CCc1c(c([nH]c1C(=O)NCc2c(ccc3c2c(ccc3)O)O)C)C(=O)C	99E	~{n}-[[2,8-bis(oxidanyl)naphthalen-1-yl]methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(N(C4=O)CC=C)c5cccc(n5)[C@@H](C(F)(F)F)O	99J	6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1s)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+c1cc(c(nc1)Nc2c(cc(cn2)C(F)(F)F)Cl)[N+](=O)[O-]	99K	3-chloranyl-~{n}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@H](C4)O	99L	1-ethyl-6-[(3r)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one
+CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCOCC5)C(=O)N2CC=C)O	99M	1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo [3,4-d]pyrimidin-3-one
+C[C@H](CCC(=O)NCc1ccc(cc1)OCCN2CCOCC2)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OS(=O)(=O)O)C)C	99N	[(3~{s},8~{s},9~{s},10~{r},13~{r},14~{s},17~{r})-10,13-dimethyl-17-[(2~{r})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{h}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H](C4)O	99O	1-ethyl-6-[(3s)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccnc3)N	99P	d-phenylalanyl-n-(pyridin-3-ylmethyl)-l-prolinamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H](C4)N	99R	6-[(3s)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)C(=O)OC)C#N)C(C)C)C#N)N	99S	methyl 5-{3-[(4s)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate
+C(CC(=O)N[C@@H](CSCCC(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	99T	l-gamma-glutamyl-s-(2-carboxyethyl)-l-cysteinylglycine
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4	99U	1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one
+CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(c(c4)F)N5CCN(CC5)C)C(=O)N2CC=C)O	99V	6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H]4CO	99X	1-ethyl-6-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one
+c1cc(ccc1C[C@H](C(=O)O)N)C(=O)O	99Y	4-carboxy-d-phenylalanine
+Cc1ccccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	99Z	4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc3ccccc3	9A0	2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-n-phenylpropanamide
+c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O	9A3	(2s)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-{[4-(trifluoromethyl)phenyl]methyl}imidazo[1,2-a]pyrazin-3(2h)-one
+C/C=C\CO	9A4	(2z)-but-2-en-1-ol
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N	9A5	(2~{s})-2-azanyl-~{n}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{h}-indol-3-yl)propanamide
+Cc1cc(n[nH]1)Nc2c3ccc(cc3nc(n2)/C=C/c4ccccc4)N5CCN(CC5)C	9A6	7-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]quinazolin-4-amine
+C/C=C/CO	9A7	(2e)-but-2-en-1-ol
+CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	9A8	2-(4-propan-2-yloxyphenyl)-3~{h}-quinazolin-4-one
+COc1ccc(c(c1)OC)C[C@@]2(C(=O)NC(=S)N2)O	9AA	(5s)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one
+c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br	9AB	8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid
+c1ccc2c(c1)c(c3ccccc3n2)C=O	9AC	9-acridinecarbonyl
+CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2N	9AD	9-amino-(n-(2-dimethylamino)ethyl)acridine-4-carboxamide
+C[C@@H](CCCC(C)C)NC(C)C	9AE	(2~{s})-6-methyl-~{n}-propan-2-yl-heptan-2-amine
+CC1=C(C(C(=C(N1)C)C(=O)OC)c2cccc(c2)NC(=O)NCCCN3CCC(CC3)c4cccc(c4)OC)C(=O)OC	9AF	dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
+CNCc1ccc(cc1)Oc2ccccc2	9AG	n-methyl-1-(4-phenoxyphenyl)methanamine
+CCCN(CCC)CCCC#N	9AH	4-(dipropylamino)butanenitrile
+C=CCNC=S	9AI	n-prop-2-en-1-ylthioformamide
+C[C@H]1CN(CCN1c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8	9AJ	2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2s)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2h-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6h)-one
+CC(C)(CNCCO)N	9AK	n1-(2-hydroxyethyl)-2-methyl-1,2-propanediamine
+CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)N)O	9AL	(2s,3s)-3-amino-2-hydroxy-n-[(1r)-1-phenylpropyl]butanamide
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)O	9AM	9-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
+c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O	9AN	2-(3-hydroxyphenyl)-3~{h}-quinazolin-4-one
+CCC(=O)NCCNC(=O)/N=C(\N)/NCCC[C@H](C(=O)NCc1ccc(cc1)O)NC(=O)C(c2ccccc2)c3ccccc3	9AO	n~2~-(diphenylacetyl)-n-[(4-hydroxyphenyl)methyl]-n~5~-(n'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-d-ornithinamide
+c1ccc2c(c1)cc(c3c2cccc3)N	9AP	9-aminophenanthrene
+CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	9AQ	2-(4-ethoxyphenyl)-3~{h}-quinazolin-4-one
+COc1c(ccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O	9AR	9-hydroxy aristolochic acid
+C[C@H]([C@@H](C(=O)N)N)O	9AT	(2s,3r)-2-amino-3-hydroxy-butanamide
+CC(=CCC/C(=C/CC/C(=C/CC1=C(c2ccccc2OC1=O)O)/C)/C)C	9AU	4-oxidanyl-3-[(2~{e},6~{e})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)c4ccccn4	9AW	2-(4-pyridin-2-ylphenyl)-3~{h}-quinazolin-4-one
+C[C@H]1CC=C2[C@H]([C@]1(C)CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)CCCC2(C)C	9AX	(2e)-3-methyl-5-[(1r,2s,8as)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
+Cc1ccc(c(c1)N)N	9AY	4-methylbenzene-1,2-diamine
+CC[C@](C1=C(C(=O)N2Cc3cc4c(cccc4nc3C2=C1)N)CO)(C(=O)O)O	9AZ	(2s)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
+CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C4CCCCCC4)C)O)O	9B0	[(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{r})-6-methyl-6-oxidanyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate
+CC1(Cc2c3c(sc2C1)C(=O)N(CC3)c4cccc(c4CO)C5=CN(C(=O)C(=C5)Nc6ccncn6)C)C	9B1	2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2h-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5h)-one
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCCCC4	9B2	2-(4-piperidin-1-ylphenyl)-3~{h}-quinazolin-4-one
+c1c(cnc(c1Cl)N)C[C@H](C[SeH])C(=O)O	9B3	(2~{s})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid
+C[C@H](COCC(CO)(COC[C@@H](C)OC[C@@H](C)O)COC[C@@H](C)OC[C@@H](C)O)O	9B4	(2r,5r,13r,16r)-9-(hydroxymethyl)-9-{[(2r)-2-hydroxypropoxy]methyl}-5,13-dimethyl-4,7,11,14-tetraoxaheptadecane-2,16-diol
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C)NC(=O)C)O	9B5	(2~{s},4~{r})-1-[(2~{s})-2-acetamidopropanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(on1)C)c2cc3c(c4c(cn3)NC(=O)N4c5ccccc5OC(F)(F)F)nc2OC	9B6	7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6NC=NC7=O)O)O)NC=NC2=O	9B7	3',3'-cdimp
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4COC4)O	9B8	(2~{s},4~{r})-1-[(2~{s})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+[H]/N=C(\NC)/NCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC[C@@](C(=O)N1)(C)NC(=O)C(C)C)c2ccccc2)CC	9BA	n-{(3r,6s,9s,12r)-6-ethyl-12-methyl-9-[3-(n'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide
+C1CC(CCC1C(=O)O)OC(=O)N/C(=C/S)/N	9BB	trans-4-({[(e)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid
+COCCOc1cc2c(cc1OC)c3cc(nc(c3cn2)N)n4ccnc4	9BD	2-(1h-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
+c1ccc(cc1)CNC=S	9BE	n-benzylthioformamide
+CC(=O)CCc1c[nH]c2c1cccc2	9BF	4-(1~{h}-indol-3-yl)butan-2-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N	9BG	2',5'-gpap
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CCC4)O	9BH	(2~{s},4~{r})-1-[(2~{s})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+C1COP(=O)(O[C@@H]2[C@@H](COP(=O)(O[C@H]1[C@H]([C@H](N3C=CC(=O)NC3=O)O)O)O)O[C@H]([C@@H]2O)N4C=CC(=O)NC4=O)O	9BJ	3',3'-cdump
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)NC(=O)C)O	9BK	(2~{s},4~{r})-1-[(2~{s})-2-[(1-acetamidocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/C(=O)OC)O)C=O	9BL	methyl (2e,6e)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-2,6-dimethylocta-2,6-dienoate
+Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC	9BM	4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C(=O)C)O	9BN	(2~{s},4~{r})-1-[(2~{s})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/[C@H](C)OC(=O)C)O)C=O	9BO	(2s,3e,7e)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate
+CC(C)C(=O)N[C@](C)(CCN)C(=O)O	9BP	4-amino-n-(2-methylpropanoyl)-d-isovaline
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C=O	9BR	3-chloro-4,6-dihydroxy-2-methyl-5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde
+c1ccnc(c1)c2ncccn2	9BS	2-(pyridin-2-yl)pyrimidine
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CO)O	9BT	(2~{s},4~{r})-1-[(2~{s})-3,3-dimethyl-2-(2-oxidanylethanoylamino)butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C(=C/COC(=O)C(C)C)/C)O)C=O	9BU	(2e,6e)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate
+c1ccc2c(c1)c(n3c(n2)nnn3)O	9BV	tetrazolo[5,1-b]quinazolin-9-ol
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CC4)O	9BW	(2~{s},4~{r})-1-[(2~{s})-2-(cyclopropylcarbonylamino)-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(/C)\CC/C=C(/C)\C=C\C(=O)C(C)(C)O)O)C=O	9BX	3-chloro-4,6-dihydroxy-5-[(2z,6z,8e)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde
+c1ccc2c(c1)nc(n2CC(=O)O)c3cscn3	9BY	[2-(1,3-thiazol-4-yl)-1h-benzimidazol-1-yl]acetic acid
+CC1([C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O)C	9BZ	(3~{r},5~{r},7~{a}~{s})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
+CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3	9C0	9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
+C(/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O)Cl	9C1	2-{[(2e)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-d-glucopyranose
+C([C@H]([C@H]([C@@H](C(=O)NN)O)O)O)OP(=O)(O)O	9C2	[(2~{r},3~{r},4~{s})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate
+CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3	9C3	9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2h-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
+C1[C@H]([C@@H](C([C@@H]([C@]1(C(=O)O)O)O)O)O)O	9C4	(2s)-2-hydroxy-3-epiquinic acid
+CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	9C5	2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{h}-quinazolin-4-one
+c1ccc(cc1)Oc2ccc(cc2)C3=CC=CN4C3=NS(=O)(=O)CC4	9C6	9-(4-phenoxyphenyl)-3,4-dihydro-2h-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
+CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	9C8	2-[4-(diethylamino)phenyl]-3~{h}-quinazolin-4-one
+Cn1cc(cn1)c2cccc(c2)NC(=O)CN3C/C(=N/N(C)C)/NC[C@H](C3=O)Cc4c(cccc4Cl)Cl	9C9	2-[(3z,6r)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-n-[3-(1-methyl-1h-pyrazol-4-yl)phenyl]acetamide
+c1ccc2c(c1)c3ccccc3[nH]2	9CA	9h-carbazole
+CN(CCO)c1ccc(cc1)C2=Nc3cc(ccc3C(=O)N2)Cl	9CB	7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{h}-quinazolin-4-one
+C[C@@H]1CCC[C@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	9CC	(3r)-6,8-dihydroxy-3-{[(2s,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one
+C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O	9CD	2-{[(2e)-but-2-enoyl]amino}-2-deoxy-beta-d-glucopyranose
+c1ccc(c(c1)C2=Nc3ccccc3C(=O)N2)N	9CE	2-(2-aminophenyl)-3~{h}-quinazolin-4-one
+C[C@@H]1CCC[C@@H](O1)C[C@@H]2Cc3cc(cc(c3C(=O)O2)O)O	9CF	(3s)-6,8-dihydroxy-3-{[(2r,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one
+c1cc2cccc3c2c(c1)COC3=O	9CG	1h,3h-naphtho[1,8-cd]pyran-1-one
+CN1c2c(n(c(n2)N3CCNCC3)Cc4nnc(o4)c5ccc(c(c5)Cl)Cl)C(=O)N(C1=O)C	9CH	7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione
+COc1cccc(c1)CC(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O	9CJ	2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
+c1ccc(c(c1)N2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br	9CK	1-[(4-aminophenyl)methyl]-3-[2-[2-(2-bromophenyl)pyrazolidin-1-yl]-2-oxidanylidene-ethyl]urea
+c1ccc(cc1)CCl	9CL	(chloromethyl)benzene
+CC1=C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N	9CM	(2s,5r)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCO[C@]34C5=[N]6C(=CC=C5)C7=[N]([Co]68([N]9=CC=CC=C9C1=CC=CC3=[N]81)([N]1=CC=CC=C41)[O])C=CC=C7)NC(=O)N2	9CO	[cobr(appy)-biot]br
+CC1=C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N	9CP	(2s,5r)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide
+CN(C)C(=O)Cc1ccc(cc1)c2c3ccccc3nc(n2)N	9CQ	2-[4-(2-aminoquinazolin-4-yl)phenyl]-n,n-dimethyl-acetamide
+CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C	9CR	(9cis)-retinoic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N	9CS	(1r,2s,3s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-d-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside
+CCC(=O)Nc1ccccc1C(=O)Nc2cc(n[nH]2)CCc3cc(cc(c3)OC)OC	9CT	~{n}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{h}-pyrazol-5-yl]-2-(propanoylamino)benzamide
+C[C@@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	9CU	(3r)-6,8-dihydroxy-3-{[(2r,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one
+CNC(=O)c1cc(c(nc1)NC2CCN(CC2)c3ccccn3)NCc4ccc(c(c4)Oc5ccccc5)F	9CV	5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{n}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide
+C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@@H]4CC[C@H](O4)C(C)(C)O	9CW	(1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{s},5~{s})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+C[C@H]1CCC[C@@H](O1)C[C@@H]2Cc3cc(cc(c3C(=O)O2)O)O	9CX	(3s)-6,8-dihydroxy-3-{[(2r,6s)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one
+c1ccc(cc1)C[C@@H](CO)NC(=O)c2ccc(cc2)c3ccncc3	9CY	n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide
+C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@@H]4CC[C@@H](O4)C(C)(C)O	9CZ	(1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{s},5~{r})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+CCCCCCCCNCc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3	9D0	n-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+c1cc(cc(c1)O)CN(CCN2CCCC2)c3nc4ccc(cc4s3)c5ccncc5	9D1	3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol
+CCC(CO)(CO)CO	9D2	2-ethyl-2-(hydroxymethyl)propane-1,3-diol
+CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3	9D3	n-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+c1cc(cc(c1)F)CNc2nc3ccc(cc3s2)c4ccncc4	9D4	n-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine
+CN(CCO)c1ccc(cc1)C2Nc3ccccc3C(=O)N2	9D5	2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{h}-quinazolin-4-one
+CCN(Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3)C4CCCCC4	9D6	n-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+c1ccc(cc1)C2=C3C=CC4=CC5=[N]6C(=C(c7ccc8n7[Zn]6(N43)[N]9=C2C=CC9=C8)c1ccc(cc1)C(=O)O)C=C5	9D7	[4-(15-phenylporphyrin-5-yl-kappa~4~n~21~,n~22~,n~23~,n~24~)benzoato(2-)]zinc
+CCCN(Cc1ccccc1)C(=O)c2ccc(cc2)S(=O)(=O)Nc3cccc(c3)Cl	9D8	4-[(3-chlorophenyl)sulfamoyl]-~{n}-(phenylmethyl)-~{n}-propyl-benzamide
+c1c(c2c([nH]1)C(=O)NC(=N2)N)CCCCC(F)(F)P(=O)(O)O	9D9	[5-(2-amino-4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-1,1-difluoropentyl]phosphonic acid
+c1c[nH]c2c1ncnc2N	9DA	9-deazaadenine
+Cn1cc(cn1)c2c3c4c(cc(cc4[nH]2)NC(=O)[C@@H](C5CCCCC5)N)C(=O)NN=C3	9DB	(2~{r})-2-azanyl-2-cyclohexyl-~{n}-[2-(1-methylpyrazol-4-yl)-9-oxidanylidene-3,10,11-triazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13),11-pentaen-6-yl]ethanamide
+C([C@@H](CS)S)O	9DC	(2s)-2,3-disulfanylpropan-1-ol
+c1cc(ccc1NS(=O)(=O)c2ccc(cc2)Br)S(=O)(=O)N	9DE	4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide
+c1c[nH]c2c1N=C(NC2=O)N	9DG	9-deazaguanine
+CN(CC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2ccccc2	9DH	2-[methyl(phenyl)amino]-~{n}-(4-sulfamoylphenyl)ethanamide
+c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	9DI	9-deazainosine
+CN(c1ccccc1)c2ccc3c(c2)CCC[C@H]3CNc4cnccc4C(=O)O	9DJ	3-[({(1r)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid
+CC(C)(C(=O)NCCc1c[nH]cn1)C(=O)O	9DK	3-[2-(1~{h}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O	9DN	dansyl-l-asparagine
+CC(C)(C)c1cc(n(n1)c2ccc3c(c2)C[C@H](NC3)C(=O)O)NC(=O)Nc4cccc(c4Cl)Cl	9DP	(3s)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
+C(c1[nH]nnn1)[C@@H](C(=O)O)N	9DQ	(2~{s})-2-azanyl-3-(1~{h}-1,2,3,4-tetrazol-5-yl)propanoic acid
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccncc3	9DR	6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
+CN(C)c1cccc2c1cccc2S(=O)(=O)[N@@](C)CC(=O)O	9DS	dansyl-l-sarcosine
+C[C@](Cc1ccccc1F)(C(=O)O)N	9DT	(2~{s})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid
+C[C@@H](CS)C(=O)NCc1ccccc1	9DU	(2r)-2-methyl-n-(phenylmethyl)-3-sulfanyl-propanamide
+CCc1cc(ccc1c2ccc(cc2)C[C@@H](C(=O)O)N)OC	9DW	(2~{s})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid
+C1CO[C@@H]2C[C@](O[C@@H]2[C@@H]1O)(C[C@@H](C(=O)O)N)C(=O)O	9DX	(2r,3ar,7r,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-7-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
+c1cnccc1c2csnn2	9DY	4-(1,2,3-thiadiazol-4-yl)pyridine
+Cc1cc(cc(c1)CCC[C@@H](C(=O)N)N)C	9DZ	(2~{s})-2-azanyl-5-(3,5-dimethylphenyl)pentanamide
+C[C@H]1c2c[nH]c3c2c(ccc3)S[C@H]1C(=O)O	9E0	(5~{s},6~{r})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid
+CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)S(=O)(=O)N	9E1	2-methoxy-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide
+Cc1c(c(nn1CC(=O)Nc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-])Cl	9E2	2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{n}-(4-sulfamoylphenyl)ethanamide
+c1cc2c(ccc(c2nc1)O)Cn3cc(nc3)F	9E3	5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol
+CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)C(=O)NC	9E4	4-methoxy-n~1~-methyl-n~3~-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide
+Cc1ccc2c(c(oc2c1C)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C	9E5	3,6,7-trimethyl-~{n}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide
+c1c(csc1Cl)C(=O)O	9E6	5-chloro thiophene-3-carboxylic acid
+C(CCNCS)C[C@@H](C(=O)O)N	9E7	n~6~-(sulfanylmethyl)-l-lysine
+c1cc(ccc1CCNC(=O)Nc2ccc(cc2)Cl)S(=O)(=O)N	9E8	1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
+c1cc(sc1C(=O)O)Cl	9E9	5-chloro thiophene-2-carboxylic acid
+Cc1c(c(nn1C)COc2ccc(cc2)N3CCN(CC3)C(=O)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)Cc8cccnc8	9EA	7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1h-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1h-indole-2-carboxylic acid
+C[C@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl	9EB	4-chloranyl-~{n}-[(1~{r})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide
+C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)Nc4ccc(cc4c5cccs5)F)C	9EC	(1r,2r,4s,5s,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium
+C(CCC(=O)N)CC(=O)N	9EE	adipamide
+CC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	9EF	n-[2-(acetylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl	9EG	n-(4-chlorophenyl)-n'-(3,4-dichlorophenyl)urea
+c1ccc2c(c1)cccc2NC(=O)c3cc(cnc3)N	9EI	5-amino-n-(naphthalen-1-yl)pyridine-3-carboxamide
+CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)N2CC[C@H]2C(=O)NC)c3cnn4c3nc(cc4)c5cccs5	9EJ	n-[(2s)-2-(diethylamino)propyl]-2-[(2s)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide
+CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCC5	9EK	~{n}-methyl-~{n}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-pyrrolidin-1-ylcarbonyl-2~{h}-indazole-5-carboxamide
+COc1cc2c(ccc3c2C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N)cc1C#N	9EL	(2s,3r)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1h-naphtho[2,1-b]pyran-8-carbonitrile
+CC(=O)N1CCN(C(=O)C1(C)C)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5CC(F)(F)F	9EM	4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1h-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCSCC3	9EN	~{n}-[[(5~{s})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide
+c1ccc(cc1)[C@@H](CO)NC(=O)c2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]ccn5)/C(=O)N3	9EO	(3z)-n-[(1s)-2-hydroxy-1-phenylethyl]-3-[(1h-imidazol-2-yl)(phenyl)methylidene]-2-oxo-2,3-dihydro-1h-indole-5-carboxamide
+CC(=O)OCC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O	9EP	(2r)-5-[(acetyloxy)methyl]-2-{(1r)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CC(=O)c1c(cccc1O)O	9EQ	1-[2,6-bis(oxidanyl)phenyl]ethanone
+CC(C)c1cc(c(c(c1)C(C)C)c2csc(n2)N(CCN(C)C)Cc3cccnc3)C(C)C	9ER	n1,n1-dimethyl-n2-[(pyridin-3-yl)methyl]-n2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine
+CCC(=O)Nc1cc(ccc1Nc2cc(ncn2)N(C)C(=O)Nc3c(c(cc(c3Cl)OC)OC)Cl)N4CCN(CC4)CC	9ES	n-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide
+Cc1cc2c3ccc(cc3[nH]c2c4c1O[C@@](C=C4)(C)COC(=O)C)O	9ET	murrayamine-i
+Cc1nc2cnccc2n1Cc3ccc(cc3F)C(=O)c4cn(c5c4c(ccc5)C#C)C(=O)N(C)C	9EU	4-ethynyl-3-{3-fluoro-4-[(2-methyl-1h-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-n,n-dimethyl-1h-indole-1-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)[C@@H]2N(CC(=O)O2)CCCC[C@@H](C(=O)O)N)O	9EV	6-[(2r)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-l-norleucine
+c1ccc2c(c1)c(no2)O	9EW	1,2-benzoxazol-3-ol
+C[C@@H](CO)CS	9EX	(2s)-2-methyl-3-sulfanyl-propan-1-ol
+COC(=O)Nc1ccc-2c(c1)NC(=O)CCCC[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	9EY	methyl [(7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
+Cn1c(cc(n1)c2ccccc2)N	9EZ	2-methyl-5-phenyl-pyrazol-3-amine
+c1cc(ccc1c2cc[n+](cc2)[Pt]34[NH2+]CC[NH+]3CC[NH2+]4)N(c5ccc(cc5)c6cc[n+](cc6)[Pt]78[NH2+]CC[NH+]7CC[NH2+]8)c9ccc(cc9)c1cc[n+](cc1)[Pt]12[NH2+]CC[NH+]1CC[NH2+]2	9F0	4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-n,n-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline
+Cc1cc(c(c(c1)F)C(=O)N[C@H]2C/C=C/[C@@H](CC(=O)Nc3cc(ccc3-c4c([nH]c2n4)Cl)NC(=O)OC)C)F	9F1	methyl [(4r,5e,8s)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O	9F2	ceftriaxone
+C1[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H](O[C@]3(O1)CO)CO)O	9F3	(2r,3's,4's,4ar,5'r,6r,7r,7as)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane ]-3',4',7-triol
+c1ccc(cc1)[C@@H]2[C@H]([C@@H]2C(=O)NO)c3ccc(cc3)c4ncc(cn4)F	9F4	(1r,2r,3r)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide
+c1ccc(cc1)Oc2cccc(c2)[C@@H](C(=O)O)O	9F5	(2~{s})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid
+c1ccc(c(c1)C(=O)/C=C/c2cccnc2)O	9F6	(2e)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one
+CC[C@@H]1CCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	9F7	methyl [(3r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
+Cc1cn(c2c1cccc2)CCC(=O)O	9F8	3-(3-methylindol-1-yl)propanoic acid
+CN1c2cc(c(cc2N(C1=O)C)N3CCCCC3)NC(=O)c4ccccc4OC	9F9	n-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1h-benzimidazol-5-yl]-2-methoxybenzamide
+C[C@@H]\1CC(=O)Nc2cc(ccc2-c3c[nH]c(n3)[C@H](C/C=C1)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)NC(=O)OC	9FA	methyl [(4r,5e,8s)-8-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+C1C[C@@H]([C@@H](C1)N)C(=O)O	9FB	(1~{s},2~{r})-2-azanylcyclopentane-1-carboxylic acid
+Cc1cccc(c1)Nc2c(cc(c(n2)N[C@@H]3CCCC[C@@H]3N)C#N)C(=O)N	9FC	6-{[(1r,2s)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide
+C[C@H]1CCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3NC(=O)C1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	9FD	methyl [(4s,8s)-8-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+c1cc2c(cc1C(=O)O)c(n[nH]2)Br	9FE	3-bromanyl-1~{h}-indazole-5-carboxylic acid
+Cn1c(ccc1c2ccc(cc2F)O)C#N	9FG	5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1h-pyrrole-2-carbonitrile
+Cc1c(cnn1c2ccccc2)C(=O)O	9FH	5-methyl-1-phenyl-pyrazole-4-carboxylic acid
+COc1ccc2c(c1)CCC[C@H]2CNc3cnccc3C(=O)O	9FJ	3-({[(1r)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid
+c1ccc2c(c1)cccc2n3cc(nn3)c4ccc(s4)S(=O)(=O)N	9FK	5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide
+c1ccc-2c(c1)Cc3c2cccc3	9FL	9h-fluorene
+CCCCCCOCCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1non2)NC	9FM	n-{2-[2-(hexyloxy)ethoxy]ethyl}-n~2~-methyl-n~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
+c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)O	9FN	2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	9FO	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1OS(=O)(=O)O2)O)O)O)O	9FQ	(3~{a}~{s},4~{r},5~{s},6~{r},7~{r},7~{a}~{r})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol
+CC1=C2[C@](C[C@@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3(O2)C)(C)C)C)(C5=C(C1=O)C(=O)OC5)C	9FR	(6as,8ar,12as,12br,13ar)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,11,12,12a,12b,13,13a-decahydro-3h-benzo[a]furo[3,4-j]xanthene-3,4,10(1h,6ah)-trione
+CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3[C@H]4[C@@H]3CN(C4)C5COC5	9FS	5-{5-[(1r,5s,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1h-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine
+COc1ccc(cc1)[C@H]2CCC(=O)NC2=O	9FT	(3r)-3-(4-methoxyphenyl)piperidine-2,6-dione
+CC1=C2[C@](CC3[C@@](O2)(CC[C@@H]4[C@@]3(C=CC(=O)C4(C)C)C)C)(C5=C(C1=O)C(=O)OC5)C	9FU	(6as,8ar,12as,12br,13ar)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3h-benzo[a]furo[3,4-j]xanthene-3,4,10(1h,6ah)-trione
+CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3CCN(CC3)C4COC4	9FV	5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1h-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine
+c1cc(cc(c1)F)C(=O)N/N=C/c2ccc(o2)Sc3ncccn3	9FX	3-fluoro-n'-[(e)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide
+Cc1cn(nn1)CCC[C@@H](C(=O)O)N	9FZ	(2~{s})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid
+c1ccc(c(c1)c2cccc(c2O)O)N	9G0	2'-amino[1,1'-biphenyl]-2,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC[C@@H](C(C5)C(=O)N)[P+](CCC(=O)O)(CCC(=O)O)CCC(=O)O)O)O)O)OP(=O)(O)O)N	9G1	[(4~{s})-3-aminocarbonyl-1-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]piperidin-4-yl]-tris(3-hydroxy-3-oxopropyl)phosphanium
+CCc1cn(nn1)CCC[C@@H](C(=O)O)N	9G2	(2~{s})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid
+c1c2c(cc(c1F)Cl)N=CN(C2=O)CC(=O)C[C@@H]3CCCCN3	9G3	7-chloro-6-fluoro-3-{2-oxo-3-[(2s)-piperidin-2-yl]propyl}quinazolin-4(3h)-one
+CC(=O)NCc1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl	9G4	1-{4-[(acetylamino)methyl]phenyl}-4-(4-chlorophenoxy)-6-oxo-1,6-dihydropyridazine-3-carboxamide
+CN1CCCN(CC1)C(=O)c2cccc(c2)c3ccc(o3)/C=C/4\c5cc(ccc5NC4=O)Cl	9G5	(3~{e})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{h}-indol-2-one
+COc1cc2c(cc1OCCNc3nc4ccccc4s3)c(ncn2)N5CCOCC5	9G6	n-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine
+CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)CC4CCNCC4)O	9G7	methyl [(4s)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3r)-1-[(piperidin-4-yl)acetyl]piperidin-3-yl}butyl]carbamate
+C[C@H](Cc1ccc2c(c1)OCO2)[C@@H](C)Cc3ccc4c(c3)OCO4	9G9	5,5'-[(2r,3s)-2,3-dimethylbutane-1,4-diyl]bis(2h-1,3-benzodioxole)
+Cc1cn2c(c(cn2)C(=O)N[C@@H](c3ccc(cc3)OC(F)(F)F)C(C)(C)O)nc1n4cnc(n4)C	9GA	n-{(1s)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1h-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CCC/C(=C/COP(=O)(O)O)/C	9GB	[(~{e})-3-methylhex-2-enyl] dihydrogen phosphate
+c1cc(ccc1CN(C2CCCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(c(c4)N)C(=O)O)CC5CCNCC5)Cl	9GD	2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid
+CC(C)CCCCCCCCC/C=C/C(=O)O	9GE	(~{e})-13-methyltetradec-2-enoic acid
+CCCCCCC(C)(C)c1ccc(c(c1)O)[C@@H]2C[C@@H](CC[C@H]2CCCO)O	9GF	2-[(1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
+CCN(CC)c1nc2c(c(c(c(c2s1)n3cccc3)I)O)C(=O)O	9GH	2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid
+COC[C@H](c1ccc(c(c1)F)OC(F)(F)F)NC(=O)N2CC(=O)Nc3c2ncc(c3)OC	9GJ	n-{(1s)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1h)-carboxamide
+c1ccc(cc1)CCOc2cc(c(c(c2n3cccc3)I)O)C(=O)O	9GK	3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid
+CCc1c2cc(ccc2[nH]c1C(=O)NCCc3ccc(cc3)N4CCCCC4)Cl	9GL	5-chloro-3-ethyl-n-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1h-indole-2-carboxamide
+c1nc2c(n1[C@H]3[C@H]([C@@H]([C@@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N	9GM	2-amino-9-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-l-xylofuranosyl}-1,9-dihydro-6h-purin-6-one
+CCCSc1cc(c(c(c1n2cccc2)I)O)C(=O)O	9GN	3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CO)O)O)O)O	9GP	n-(hydroxyacetyl)-beta-d-glucopyranosylamine
+CCCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O	9GQ	5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
+CCS(=O)(=O)c1ccc(cc1)CNC(=O)N2CC3(CCCC3)c4c2ccc(n4)c5c(ncnc5OC)C6CC6	9GS	5'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-n-{[4-(ethylsulfonyl)phenyl]methyl}spiro[cyclopentane-1,3'-pyrrolo[3,2-b]pyridine]-1'(2'h)-carboxamide
+C=CCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O	9GT	3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid
+c1cc(ccc1C(F)(F)F)N2CCN(CC2)C(=O)n3ccnn3	9GU	(1h-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
+CNS(=O)(=O)c1ccc(cc1)CNC(=O)c2cnc(c3c2cnn3c4ccc(cc4)F)OC	9GV	1-(4-fluorophenyl)-7-methoxy-n-{[4-(methylsulfamoyl)phenyl]methyl}-1h-pyrazolo[3,4-c]pyridine-4-carboxamide
+CCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O	9GW	3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid
+COc1ccccc1N2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3	9GX	2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3h)-one
+C[C@H]1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4	9GY	3-[(2s)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-n-methylbenzamide
+c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)c3ccc(cc3)F	9GZ	5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
+c1ccn(c1)c2c(cc(c(c2I)O)CO)I	9H2	6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol
+c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2	9H3	1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2h-spiro[1-benzofuran-3,4'-piperidin]-2-one
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6(CC6)C	9H4	tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CN1CCN(CC1)C(=O)c2cc(c(c(c2O)I)n3cccc3)I	9H5	[3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone
+CN1c2ccccc2C3(C1=O)CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4	9H6	1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1h)-one
+CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccccc5n4)c6cccs6)C(=O)NS(=O)(=O)C7CC7	9H7	tert-butyl [(2r,6s,12z,13as,14ar,16as)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+C1C[C@H](NC1)CNS(=O)(=O)C(F)(F)F	9H8	1,1,1-tris(fluoranyl)-~{n}-[[(2~{s})-pyrrolidin-2-yl]methyl]methanesulfonamide
+c1c(cc(c2c1N(CC23CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CCO)F)F	9H9	2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3h)-one
+COC(=O)CCC(=O)OC	9HB	dimethyl fumarate
+Cc1c(c(c(cn1)COP(=O)([O-])[O-])CCC(=O)c2ccc(cc2)Br)O	9HC	[4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate
+C1CC(=O)N(C1)CC[C@H](C[C@@H](C[C@@H](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O	9HD	1-[(3r,5s,7r)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2h-pyrrol-2-one
+c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N	9HE	1-cyclopentyl-3-(1~{h}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1cc2c(cc1n3c4ccc(cc4nn3)C(=O)O)C(CCC2(C)C)(C)C	9HF	1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid
+CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCC4)OC)OC	9HG	n~2~-cyclopentyl-6,7-dimethoxy-n~2~-methyl-n~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
+CS(=O)(=O)Nc1ccccc1c2cccc3c2[nH]c4c3cccc4	9HH	~{n}-[2-(9~{h}-carbazol-1-yl)phenyl]methanesulfonamide
+CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)S(=O)(=O)Nc4ccc(cc4)C(=O)N	9HI	(3r,5r)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1h-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid
+CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC	9HJ	6,7-dimethoxy-n~2~-methyl-n~4~-(1-methylpiperidin-4-yl)-n~2~-propylquinazoline-2,4-diamine
+c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-]	9HK	4-[(4-nitrophenyl)methyl]benzenesulfonamide
+c1cc(cc(c1)F)[C@@H]2C[C@H]2CNCCc3ccnc(n3)n4ccnc4	9HL	n-{[(1r,2r)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethanamine
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC	9HN	~{tert}-butyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate
+CCCCC\C=C/C=C/[C@H](CCCCCCCC(=O)O)O	9HO	(9s,10e,12z)-9-hydroxyoctadeca-10,12-dienoic acid
+c1cc2c(cc(cn2)c3ccc(cc3)O)c4c1ccnc4	9HP	9-(4-hydroxyphenyl)-2,7-phenanthroline
+CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C	9HQ	(2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-propanamide
+CCc1cc(c(cc1c2cc3cnc(nc3c(c2)N[C@@H](C)CO)NCCCCCN(C)C)F)O	9HR	4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{s})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol
+C[C@@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)Cl)O)c4ccccc4	9HS	7-chloro-3-({4-hydroxy-1-[(3s)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3h)-one
+CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)NCC	9HT	(2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-butanamide
+CC(=O)Oc1ccccc1S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O	9HU	2-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl]phenyl acetate
+C(CP(=O)(O)O)N1[C@@H]([C@H]([C@@H]([C@H]1CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CO	9HV	{2-[(2r,3r,4r,5r)-3-(alpha-d-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid
+CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C	9HW	(2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-propanamide
+c1c[nH]c2c1N=CNC2=O	9HX	9-deazahypoxanthine
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)C)C#N	9HY	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylacetamide
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC)c4ccc(cc4)Cl)OC	9HZ	methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate
+CCc1cc(c(cc1c2cc3cnc(nc3c(c2)N[C@@H](C)CO)N)F)O	9I2	4-[2-azanyl-8-[[(2~{s})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol
+COc1cc(cc2c1nc(nc2)N)c3ccc(cc3)O	9I5	4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol
+[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F	9I7	(1r,2s,5s)-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-(trifluoroacetyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
+Cn1cc(cn1)Nc2ncc3cc(cc(c3n2)OC)c4ccc(cc4)O	9I8	4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4cccc(c4)C(=O)O	9IB	3-[(5s,8r)-5-(dimethylcarbamoyl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid
+Cn1cc(cn1)Nc2c(nc(cn2)C3=CCC[C@H](C3)NC(=O)c4ccccc4)C(=O)N	9ID	6-[(5r)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1h-pyrazol-4-yl)amino]pyrazine-2-carboxamide
+C[C@H](c1cccc(c1)OC)NCCCc2ccccc2Cl	9IG	3-(2-chlorophenyl)-n-[(1r)-1-(3-methoxyphenyl)ethyl]propan-1-amine
+c1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3	9IK	~{n}-(4-phenoxyphenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+CC1(c2ccc(cc2N(C1=O)Cc3c(cccc3Cl)F)C(=O)NCc4c(cc(cc4F)F)F)C	9IM	1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-n-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1h-indole-6-carboxamide
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)c2ccoc2	9IN	n-(3-furoyl)-d-valyl-l-valyl-n~1~-((1r,2z)-4-ethoxy-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-d-leucinamide
+COc1ccc(cc1)Nc2c3cc[nH]c3ncn2	9IO	~{n}-(4-methoxyphenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+COc1cc(cnc1)c2cccc(c2)CNc3cccnc3N	9IP	n~3~-[3-(5-methoxypyridin-3-yl)benzyl]pyridine-2,3-diamine
+COc1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3	9IS	~{n}-[4-(4-methoxyphenoxy)phenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+c1ccc(c(c1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3)Cl	9IV	~{n}-[4-(2-chloranylphenoxy)phenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(cc3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	9IY	[(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate
+Cc1cc(ccc1n2c3c(c(ccn3)n4cc(nc4)c5cnn(c5)C)c(n2)C(C)C)C(=O)N	9J0	3-methyl-4-{4-[4-(1-methyl-1h-pyrazol-4-yl)-1h-imidazol-1-yl]-3-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridin-1-yl}benzamide
+CCC(=O)N(C)c1cc(c(c2c1ccc(c2)C#N)C)Oc3ccccc3OCCN4C=CC(=O)NC4=O	9J1	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylpropanamide
+Cc1nnc2n1-c3cc(ccc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC	9J2	methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate
+CCOC(=O)CCC(=O)O	9J3	4-ethoxy-4-oxobutanoic acid
+C[C@@]1(CC[C@H](C1(C)C)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)N	9J4	4-{[(1r,3s)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
+CC[C@H]([C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC	9J5	methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate
+CCOC(=O)CCCCC(=O)O	9J6	6-ethoxy-6-oxohexanoic acid
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3F)F)C	9J7	1-(2,3-difluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+CCNC(=O)[C@H](CC=C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C	9J8	(2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-pent-4-enamide
+B1(c2cc(ccc2CNN1S(=O)(=O)CC)Oc3ccc(cc3/C=N/O)C(F)(F)F)(O)O	9JA	(~{n}~{e})-~{n}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine
+C[C@H](COCC(CO)(COC[C@@H](C)O)COC[C@H](C)O)O	9JB	3-[(2~{r})-2-oxidanylpropoxy]-2-[[(2~{r})-2-oxidanylpropoxy]methyl]-2-[[(2~{s})-2-oxidanylpropoxy]methyl]propan-1-ol
+CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)C[C@@H](CN)O)O	9JD	methyl [(4s)-4-{(3r)-1-[(3s)-4-amino-3-hydroxybutanoyl]piperidin-3-yl}-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxybutyl]carbamate
+C(CCO)CCO	9JE	pentane-1,5-diol
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccccc4O	9JF	n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-2-hydroxybenzene-1-sulfonamide
+CCNC(=O)Nc1cc2c(ccc(c2cn1)CNC(=O)OCC#C)c3ccncc3	9JG	prop-2-ynyl ~{n}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate
+c1ccc(cc1)Cc2ccc(cc2)C(=O)N	9JH	4-benzylbenzamide
+B1(c2cc(ccc2CO1)Oc3ccc(cc3)C(F)(F)F)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O	9JJ	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{h}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1ccc(cc1)NC(=O)c2ccccc2S	9JK	~{n}-phenyl-2-sulfanyl-benzamide
+B1(c2ccc(cc2CO1)Oc3ccc(cc3/C=N/O)C#N)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O	9JM	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{e})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{h}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1ccc(cc1)[C@@H](CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4	9JN	~{n}-[(1~{s})-2-azanyl-1-phenyl-ethyl]-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
+CCC(=O)NC1CCC(CC1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)CN(C2=O)c6ccccc6Cl	9JO	n-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]cyclohexyl}propanamide
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CF)C#N	9JP	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-2-fluoro-n-methylacetamide
+CN(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O	9JQ	2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol
+CCCCOc1nc(c2c(n1)N(CC(=O)N2)Cc3cccc(c3)CN4CCCC4)N	9JR	4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
+Cc1ccc(cc1O)NC2=NSN=C(C2=O)Nc3ccc(cc3)C(=O)N	9JS	4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4h-1,2,6-thiadiazin-3-yl}amino)benzamide
+c1ccc(cc1)NC(=O)c2ccccc2[SeH]	9JT	~{n}-phenyl-2-selanyl-benzamide
+Cc1c(n(nc1C(=O)NC23CC4CC(C2)CC(C4)C3)CCCCCO)c5ccccc5	9JU	n-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1h-pyrazole-3-carboxamide
+C=C(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O	9JW	2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol
+c1ccc(c(c1)c2cccc(c2)N3C[C@@H](CC3=O)N4CCN(CC4)C(=O)c5nccs5)Cl	9JX	(4r)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
+CCS(=O)(=O)N1CCC[C@H](C1)C[C@@H](CO)Nc2c3ncc(n3ccn2)c4ccc(cc4)C	9JY	(2s)-3-[(3s)-1-(ethylsulfonyl)piperidin-3-yl]-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}propan-1-ol
+C[C@H]1CCN([C@@H]1C(=O)Nc2ccccc2c3ncccn3)C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC	9JZ	(3s)-1-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-3-methyl-n-(2-pyrimidin-2-ylphenyl)-l-prolinamide
+C[C@H](CCC(=O)C=C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	9K0	(6r)-6-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]hept-1-en-3-one
+Cc1ccc(cc1)c2cnc3n2ccnc3N[C@@H](Cc4cccnc4)CO	9K1	(2s)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol
+Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F	9K2	1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{h}-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine
+CCNCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N	9K3	1-{4-amino-2-[(ethylamino)methyl]-1h-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol
+CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CN1CCN(CC1)C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N	9K4	2-{4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-n-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide
+c1cc(cc(c1)S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	9K5	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate
+C[C@H]1CNCCCN1S(=O)(=O)c2cccc3c2ccnc3	9K6	5-[[(2~{s})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CCl)C#N	9K7	2-chloro-n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylacetamide
+CCc1ccc(cc1S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	9K8	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)NC(=NC2=O)N	9K9	2-amino-9-[(2s,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2h-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6h-purin-6-one
+c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)F	9KB	1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)NC(=O)C=C)C#N	9KD	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide
+c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)Cl	9KE	1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one
+CCOC(=O)[C@@H](C)c1cccc(c1)C(=O)c2ccccc2	9KF	ethyl (2s)-2-[3-(benzenecarbonyl)phenyl]propanoate
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)C=C)C#N	9KG	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylprop-2-enamide
+Cc1c(cc(nc1CC(=O)O)O)O	9KH	6-carboxy methyl-4-hydroxy-2-pyridinol
+C([C@@H]1[C@H]([C@@H]([C@H](N1CP(=O)(O)O)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	9KJ	{[(2r,3r,4r,5r)-3-(alpha-d-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid
+CCCC[C@@H](C(=O)O)NC	9KK	n-methyl norleucine
+C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O	9KL	(2s)-2-[3-(benzenecarbonyl)phenyl]propanoic acid
+Cc1ccc(cc1N2Cc3cnc(nc3N(C2=O)C)Nc4ccc(nc4)N5CCN(CC5)C(=O)C)NC(=O)c6cccc(c6)C(F)(F)F	9KO	n-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2h)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
+c1ccc(c(c1)/C=C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O)C(=O)O	9KP	(e)-n~6~-[(2e)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-l-lysine
+c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4	9KQ	2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline
+C/C=C/C(=O)CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	9KR	(e,7r)-7-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-2-en-4-one
+CC(=O)Nc1ccccc1O	9KS	n-(2-hydroxyphenyl)acetamide
+CN1c2ccccc2N(C(=O)C1=O)C	9KT	1,4-dimethylquinoxaline-2,3-dione
+c1ccc2c(c1)cccc2OCC(=O)N3CCC[C@H]3C4=NC(=C(C(=O)N4)O)C(=O)O	9KU	5-hydroxy-2-[(2s)-1-{[(naphthalen-1-yl)oxy]acetyl}pyrrolidin-2-yl]-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+c1ccc(cc1)c2ccc(s2)c3nc4ccccc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6	9KV	(2s)-n,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1h-benzimidazol-1-yl]acetamide
+CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCOCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5	9KW	~{n}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
+C/C=C/C=C/C(=O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	9KX	(2s)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-4,6-diene-3-one
+c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)CO	9KY	(2s)-n,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1h-benzimidazol-1-yl}acetamide
+CCOC(=O)c1c(c2ccccc2nc1C)C	9KZ	ethyl 2,4-dimethylquinoline-3-carboxylate
+C[C@H](CCC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C	9L1	5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid
+c1ccc(cc1)c2c[nH]c(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N	9L2	(2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{h}-imidazol-2-yl)oxane-3,4-diol
+Cc1c[n+](cnc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	9L3	[(2r,3s,5r)-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5Cl)C(=O)O)F)F)Cl	9L4	3-chloro-4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
+CCN1c2ccc(cc2N=C(C1=O)C)C(=O)N[C@@H](C)c3cnn(c3C)C	9L5	~{n}-[(1~{s})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide
+c1ccc(cc1)C(=O)c2ccc(cc2)c3nc4ccccc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6	9L7	(2s)-2-{2-[4-(benzenecarbonyl)phenyl]-1h-benzimidazol-1-yl}-n,2-dicyclohexylacetamide
+c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N	9L8	(2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{h}-1,2,4-triazol-5-yl)oxane-3,4-diol
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N	9L9	(2s)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1h-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid
+c1cc(ccc1c2nc3cc(c(cc3n2[C@H](COc4ccc(cc4)C(=O)O)C5CCCCC5)F)F)Cl	9LA	4-{(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid
+c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N	9LB	(2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(5-phenyl-4~{h}-1,2,4-triazol-3-yl)oxane-3,4-diol
+CCOC(=O)c1ccc(cc1)NC(=O)c2c3c(nn2c4ccccc4)CCN(C3)S(=O)(=O)c5cccs5	9LD	ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate
+c1ccc2cc(ccc2c1)c3c[nH]c(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N	9LE	(2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{h}-imidazol-2-yl)oxane-3,4-diol
+Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)OC)C)OC(=O)C)C)O)C)O)C)/C)OC(=O)CO)O	9LF	(2s,12e,14e,16s,17s,18r,19r,20r,21s,22r,23s,24e)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate
+c1ccc(cc1)CNC(=O)c2cc3c(n2Cc4ccccc4)CN(CC3)S(=O)(=O)c5ccccc5F	9LG	n,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide
+CC(C)CCCCCCCCC/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O	9LH	tunicamycin
+Cc1c(c2c([nH]1)cc(cc2Cl)Cl)CCN	9LI	2-(4,6-dichloro-2-methyl-1h-indol-3-yl)ethanamine
+c1ccc(c(c1)C#N)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F	9LJ	(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-n-(2-cyanophenyl)-2-cyclohexylacetamide
+Cc1c(oc(n1)C)C(=O)Nc2ccc(nc2)Oc3ccc(cc3)Cl	9LK	~{n}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
+c1ccc2c(c1)CN(C2=O)[C@H](c3cc(ccc3O)F)C(=O)Nc4nccs4	9LL	(2r)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)-n-(1,3-thiazol-2-yl)acetamide
+CC(C)NC(=O)n1c(cc2c1CN(CC2)S(=O)(=O)c3cccs3)c4ccccc4	9LM	2-phenyl-n-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-1h-pyrrolo[2,3-c]pyridine-1-carboxamide
+CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N(C)Cc3cnn(c3)c4ccccc4	9LN	1-ethyl-~{n}-methyl-2,3-bis(oxidanylidene)-~{n}-[(1-phenylpyrazol-4-yl)methyl]-4~{h}-quinoxaline-6-carboxamide
+c1cc(ccc1C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N	9LO	4-[[2,4-bis(azanyl)-6-oxidanylidene-1h-pyrimidin-5-yl]carbamoylamino]benzoic acid
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)OS(=O)(=O)O)F)F)Cl	9LP	trans-4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate
+B(c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)O	9LQ	[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid
+c1ccc(c(c1)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)F	9LS	(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-(2-fluorophenyl)acetamide
+CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N[C@H](c3cccc(c3)F)c4nccn4C	9LT	1-ethyl-~{n}-[(~{r})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{h}-quinoxaline-6-carboxamide
+Cc1cnc(n1Cc2ccccc2OCCCCCC(=O)O)c3ccc(cc3)c4ccco4	9LU	6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1h-imidazol-1-yl}methyl)phenoxy]hexanoic acid
+c1ccc(c(c1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br)Cl	9LV	4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2h)-yl}methyl)benzoic acid
+CCON=Cc1ccc(cc1)OCCC(C)CCN2C=CN(C2=O)c3ccncc3	9LW	1-[5-[4-(ethoxyiminomethyl)phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazol-2-one
+COc1ccc(cc1)CNc2c(nc3n2cc(cc3)F)c4ccccc4O	9LX	2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol
+c1cnn(c1)c2ccc(cn2)c3nc4cc(c(cc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6)F)F	9LY	(2s)-n,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1h-pyrazol-1-yl)pyridin-3-yl]-1h-benzimidazol-1-yl}acetamide
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)c4ccc(nc4)F	9LZ	(2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{s})-2-[[(2~{r})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid
+c1cc2c(c(c1)F)C(=O)c3c(c([nH]c3c4nccs4)Cc5ccc6c(c5)OCO6)O2	9M0	3-[(2h-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2h)-one
+CCOC(=O)[C@H]1CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F	9M1	ethyl (5s)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
+Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c([nH]n4)CN(C)C)F	9M2	1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{h}-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc(nc(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)N	9M3	n-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide
+CC(=O)Nc1cccc(c1)N([C@@H](C2CCCCC2)C(=O)NC3CCCCC3)C(=O)c4ccc(cc4)Cl	9M4	n-[3-(acetylamino)phenyl]-4-chloro-n-[(1s)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide
+c1ccnc(c1)[C@H]2C[C@H]2c3cc(ccc3C4CCCC4)c5ccc(cc5)S(=O)(=O)CCO	9M6	2-[4-[4-cyclopentyl-3-[(1~{r},2~{s})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+Cc1c(c(no1)c2ccc(cc2Cl)Cl)C(=O)N(C3CCCCC3)C4CCCCC4	9M7	n,n-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
+Cc1c(c(n(n1)C)C)CCOc2c(cccc2F)c3ccc4c(c3)c(nn4C)CN(C)C	9M8	1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN	9M9	7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine
+Cc1cccc(c1Nc2c(nc3n2c(ccc3)C)c4c(cccc4F)F)C	9MA	2-(2,6-difluorophenyl)-n-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
+c1cc(c(c(c1)O)F)c2cccc(n2)Oc3ccc(c(c3)O)F	9MB	2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol
+c1ccnc(c1)[C@@H]2C[C@@H]2c3cc(ccc3C4CCCC4)c5ccc(cc5)S(=O)(=O)CCO	9MC	2-[4-[4-cyclopentyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H]([C@@H]4CCCCO4)C(=O)NC5CCCCC5)Cl)F)Cl	9MD	(2s)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1h-benzimidazol-1-yl]-n-cyclohexyl-2-[(2s)-oxan-2-yl]acetamide
+c1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F	9ME	(4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone
+Cn1cnc2c1nc(nc2O)N	9MG	9-methylguanine
+c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)NC(=O)CN	9MH	2-azanyl-~{n}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide
+c1cc(oc1)c2nc(n(n2)C(=O)N)N	9MJ	5-amino-3-(furan-2-yl)-1h-1,2,4-triazole-1-carboxamide
+Cc1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F	9MK	(4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone
+CCCCCc1ccc(cc1[C@H]2C[C@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO	9ML	2-[4-[4-pentyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+c1cc(ccc1c2nc3cc(c(cc3n2[C@H](COc4ccc(cc4F)C(=O)O)C5CCCCC5)F)F)Cl	9MM	4-{(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid
+C(CCC(=O)NCCCC[C@@H](C(=O)O)N)CCBr	9MN	(2~{s})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid
+CO[C@H](c1ccccc1)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)F)F	9MP	(2s)-n,2-dicyclohexyl-2-{5,6-difluoro-2-[(r)-methoxy(phenyl)methyl]-1h-benzimidazol-1-yl}acetamide
+[H]/N=C(\N)/N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N(Cc2ccccc2)CC(=O)O)NS(=O)(=O)c3ccc4ccccc4c3	9MQ	{benzyl-[(s)-3-[((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-amino}-acetic acid
+C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	9MR	(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-d-glucopyranoside
+Cc1cc(ccc1OCc2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)F)Cl	9MS	(2s)-2-{2-[(4-chloro-2-methylphenoxy)methyl]-6-fluoro-1h-benzimidazol-1-yl}-n,2-dicyclohexylacetamide
+CCCCc1c(nc2ccc(cc2c1SCCC#N)OC)C	9MT	3-(3-butyl-6-methoxy-2-methyl-quinolin-4-yl)sulfanylpropanenitrile
+[H]/N=C(\N)/N1CCC[C@H](C1)CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c3ccc4ccccc4c3	9MU	(r)-n-((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-2-(naphthalene-2-sulfonylamino)-3-phenyl-propionamide
+c1cc(sc1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br	9MV	4-({5-bromo-2-oxo-1'-[(thiophen-2-yl)sulfonyl]spiro[indole-3,4'-piperidin]-1(2h)-yl}methyl)benzoic acid
+CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccncc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O	9MW	methyl [(2s)-1-(2-{(4r)-4-hydroxy-5-{[(2s)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
+[H]/N=C(/N)\N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N2CC[C@H](C[C@@H]2C(=O)O)C)NS(=O)(=O)c3ccc4ccccc4c3	9MX	(r)-1-[(s)-3-[((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid
+CO[C@H](c1ccccc1)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F	9MY	(2s)-2-cyclohexyl-2-{5,6-difluoro-2-[(r)-methoxy(phenyl)methyl]-1h-benzimidazol-1-yl}-n-(trans-4-hydroxycyclohexyl)acetamide
+c1ccc(c(c1)/C=N/NC2=NC(=O)[C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O	9MZ	2-{(5s)-2-[(2e)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-n-[3-(trifluoromethyl)phenyl]acetamide
+CC(C)(C)c1cc(cc(c1)[C@@H]2C[C@@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO	9N0	2-[4-[3-~{tert}-butyl-5-[(1~{r},2~{s})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+COc1ccc(c(c1)OC)c2nc3ccccc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5	9N1	(2s)-n,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1h-benzimidazol-1-yl]acetamide
+c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)C#N	9N2	2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile
+CC(C)(C)c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)CCO)CCc3ccccn3	9N3	2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol
+Cc1cccc(c1NC(=O)[C@H](C2CCCCC2)n3c4ccccc4nc3c5ccc(cc5OC)OC)C	9N4	(2s)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1h-benzimidazol-1-yl]-n-(2,6-dimethylphenyl)acetamide
+CC(C)(/C=N/OC)NC(=O)[C@H](OC)Oc1ccc2c(c1)cc(cn2)C#C	9N5	(2~{r})-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-~{n}-[(1~{e})-1-methoxyimino-2-methyl-propan-2-yl]ethanamide
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F)F)c6nccs6	9N7	4-{[(2s)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1h-benzimidazol-1-yl}acetyl]amino}benzoic acid
+c1cc(c(c(c1)Br)C(=O)c2cc([nH]c2)C(=O)Nc3cccnc3)F	9N8	4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{n}-pyridin-3-yl-1~{h}-pyrrole-2-carboxamide
+C/C=C/C#CC(=O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	9N9	(e,2s)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-6-en-4-yn-3-one
+COc1ccc(c(n1)OC)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F	9NA	(2s)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1h-benzimidazol-1-yl]-n-(trans-4-hydroxycyclohexyl)acetamide
+CC(=O)c1ccc(cc1)NC(=O)CS	9NB	~{n}-(4-ethanoylphenyl)-2-sulfanyl-ethanamide
+c1ccc(cc1)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F	9ND	(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-phenylacetamide
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O	9NE	dansyl-l-glutamate
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O	9NF	dansyl-l-phenylalanine
+CCN(CC[C@@H]1c2cc(ccc2N(C1=O)Cc3ccc(cc3)c4[nH]nnn4)Br)S(=O)(=O)c5cccs5	9NG	n-{2-[(3r)-5-bromo-2-oxo-1-{[4-(1h-tetrazol-5-yl)phenyl]methyl}-2,3-dihydro-1h-indol-3-yl]ethyl}-n-ethylthiophene-2-sulfonamide
+Cc1ccc(cc1NC(=O)c2cnc(nc2OC)Nc3ccc(cc3)N4CCNCC4)C(=O)Nc5cccc(c5F)C(F)(F)F	9NH	n-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide
+COc1ccc(c(n1)OC)c2nc3cc(ccc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)C(=O)O)F	9NJ	trans-4-({(2s)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1h-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid
+c1ccc(cc1)C[C@H](CS)C(=O)N2CCCC[C@@H]2C(=O)O	9NK	(2~{r})-1-[(2~{s})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid
+c1ccc(cc1)C([C@@H](C(=O)O)O)(F)F	9NL	(2r)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid
+c1cc(ccc1/C=C/C(=O)N(C2CCCCC2)C(=O)NC3CCCCC3)F	9NM	(2e)-n-cyclohexyl-n-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide
+c1ccc(cc1)C(C(C(=O)O)(O)O)(F)F	9NO	3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid
+c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)c6[nH]nnn6	9NP	(2s)-n,2-dicyclohexyl-2-{2-[4-(1h-tetrazol-5-yl)phenyl]-1h-benzimidazol-1-yl}acetamide
+CCC(=O)N1CC[C@@H](C1)Nc2c3c(ncn2)CCN(C3)c4cc(c(nc4)OC)C(F)(F)F	9NQ	leniolisib
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O	9NR	dansyl-l-arginine
+C=CCN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	9NS	(2s)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1cc2c(cc1NC(=O)C[NH+]3CCCCC3)OCO2	9NT	~{n}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide
+C[C@H]([C@@H](C(=O)N[C@H]1C[C@H](N(C1)C(=O)c2ccccc2)C(=O)NC)NC(=O)c3ccc(cc3)Cn4cccn4)OC(C)(C)C	9NU	(2s,4s)-n-methyl-4-[[(2s,3r)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide
+CCC[C@@H](C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C	9NV	dansyl-l-norvaline
+c1cc(c(cc1Cl)S(=O)(=O)NCc2c(n[nH]n2)CNC3CCCCC3)Cl	9NW	2,5-bis(chloranyl)-~{n}-[[5-[(cyclohexylamino)methyl]-2~{h}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide
+COc1cc(c(cc1O)Br)/C=N/n2c(nnc2SC)c3ccccc3	9NX	5-bromanyl-2-methoxy-4-[(e)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
+[C@@H](C(=O)O)(C(F)(F)F)O	9O0	(2r)-3,3,3-trifluoro-2-hydroxypropanoic acid
+C[C@H](c1ccc2ccccc2c1)NC(=O)c3c(noc3C(C)C)c4ccccc4Cl	9O1	3-(2-chlorophenyl)-n-[(1r)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide
+CCC(=O)Nc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N	9O2	~{n}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide
+C(=O)(C(C(F)(F)F)(O)O)O	9O3	3,3,3-trifluoro-2,2-dihydroxypropanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@H](CO3)OP(=O)(O)O)N	9O4	(3r,5r)-5-(6-amino-9h-purin-9-yl)oxolan-3-yl dihydrogen phosphate
+CC(=O)CCc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N	9O5	4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one
+c1ccc(cc1)[C@@H]([C@@H](C(=O)O)O)F	9O6	(2r,3s)-3-fluoro-2-hydroxy-3-phenylpropanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N	9O7	[(3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
+CC(=O)OCc1c(n[nH]n1)CNS(=O)(=O)c2ccccc2	9O8	[5-(phenylsulfonylaminomethyl)-2~{h}-1,2,3-triazol-4-yl]methyl ethanoate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	9O9	1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-5-o-phosphono-d-ribitol
+c1ccc(cc1)CNCc2c(nn[nH]2)CNS(=O)(=O)c3ccccc3	9OB	~{n}-[[5-[[(phenylmethyl)amino]methyl]-1~{h}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)Cc4ccccc4	9OC	1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+CC(=O)CCCCC\C=C/C(=O)O	9OD	(2z)-9-oxodec-2-enoic acid
+COc1cc(ccc1O)/C=C\2/C(=NC(=O)S2)N	9OE	(5~{z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one
+CC1(Cc2cc(ccc2-c3c1c(ncn3)N)OC)C	9OF	8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine
+Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N	9OG	4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile
+CCCCC[C@@H]1[C@H](O1)\C=C\[C@H](CCCCCCCC(=O)O)O	9OH	(trans-12,13-epoxy)-9-hydroxy-10(e)-octadecenoic acid
+Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C	9OJ	4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
+c1cc(c(cc1CCO[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O	9OK	2-(3,4-dihydroxyphenyl)ethyl beta-d-fructofuranoside
+CC1(Cc2cc(ccc2-c3c1c(ncn3)N)C(=C)C4CCNCC4)C	9OL	5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine
+Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N	9OM	7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
+C[C@@H](CCC(=O)O)C(=O)O	9ON	(2~{s})-2-methylpentanedioic acid
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)c4ccc(nc4)F	9OQ	(2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{r})-2-[[(2~{r})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid
+Cc1cc2c(cc1C)[N](=C3C(=[N]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(=O)O	9OR	3-[7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2s,3s,4r)-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1h-benzo[g]pteridin-5-yl]-3-oxidanylidene-propanoic acid
+COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N	9OS	7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)c4ccc(nc4)F	9OT	(2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{s})-2-[[(2~{s})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)c4ccccc4	9OU	1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-1-deoxy-5-o-phosphono-d-ribitol
+C([C@@H](C(=O)N)N)[SeH]	9OW	3-selanyl-l-alaninamide
+C[C@H](c1cccc2c1cccc2)N3CC4(C3)CC(C4)C(=O)NCc5ccnc(c5)OC	9OZ	n-[(2-methoxypyridin-4-yl)methyl]-2-[(1r)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4ccc(cc4)C(=O)O	9P0	4-[(5s,8r)-5-(dimethylcarbamoyl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid
+CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N	9P1	7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine
+CCCCn1c(c(nc1c2ccccc2)c3ccccc3)CN(Cc4ccc5c(c4)OCO5)Cc6ccc7c(c6)OCO7	9P2	1-(1,3-benzodioxol-5-yl)-~{n}-(1,3-benzodioxol-5-ylmethyl)-~{n}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine
+Cc1cc2c(cc1C)[N@@+]3([C@]4(O3)C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)C	9P3	1-[(1ar,11r)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2h)-yl]-1-deoxy-5-o-phosphono-d-ribitol
+c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F	9P4	7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
+CC(C)(C)n1c(c(cn1)c2nc(cs2)CC(=O)NCC3CCOCC3)c4ccc(cc4)OC	9P6	2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{n}-(oxan-4-ylmethyl)ethanamide
+Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N	9P7	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
+c1ccnc(c1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O	9P8	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)C[C@@](CF)(C(=O)O)O	9P9	1-{5-[(3s)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-1-deoxy-5-o-phosphono-d-ribitol
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCCN	9PA	5-[(2s)-2-{[(5-aminopentanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid
+c1ccc2cc(ccc2c1)COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O	9PB	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-(naphthalen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+c1cc(c(c(c1OCc2nc3cc(cnc3s2)Cl)F)C(=O)N)F	9PC	3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
+CCCCCCCCCCCCP(=O)(C)C	9PD	dodecyldimethylphosphine oxide
+CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P@@](=O)(O)OCCN	9PE	(1r)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)[C@H](CF)O	9PF	1-deoxy-1-{5-[(1s)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-5-o-phosphono-d-ribitol
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	9PG	4-nitrophenyl alpha-d-galactopyranoside
+c1ccc(cc1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O	9PH	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	9PI	bis[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
+c1cc(sc1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O	9PK	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+CC[C@H]1[C@H](COC1=O)Cc2cncn2C	9PL	(3s,4r)-3-ethyl-4-[(1-methyl-1h-imidazol-5-yl)methyl]dihydrofuran-2(3h)-one
+c1cc(cc2c1ccc(n2)N)CNCCc3ccc(c(c3)Cl)C#N	9PM	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile
+c1cc[n+](cc1)CCCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O	9PN	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+c1cc[n+](cc1)[O-]	9PO	pyridine-n-oxide
+C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-]	9PP	2,6-diamino-(s)-9-[2-(phosphonomethoxy)propyl]purine
+c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CO	9PQ	4-[2-(hydroxymethyl)naphthalen-1-yl]-n-[2-(morpholin-4-yl)ethyl]benzamide
+CNC(=O)[C@@H]1CCCN1	9PR	n-methyl-l-prolinamide
+c1ccc2c(c1)ccc[n+]2CCCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O	9PT	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+c1cc(ccc1COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)[N+](=O)O	9PW	[4-[[1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]-1,2,3-triazol-4-yl]methoxymethyl]phenyl]-oxidanyl-oxidanylidene-azanium
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)OOC(=O)OC)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	9PX	1-deoxy-1-[(4as)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+C[C@H]1C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O	9PY	(2r)-2-methyl-3-dehydroquinic acid
+Cc1cc2c(cc1C)[n+](c3c([n+]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)[C@](c4ccccc4)(C(=O)N)O	9Q0	1-{5-[(1s)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-o-phosphono-d-ribitol
+c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)OCC5=Cc6c(ccc(c6F)F)OC5=O)O)CO)O	9Q5	5,6-bis(fluoranyl)-3-[[(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	9Q6	1-deoxy-1-[(4as)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+C(#[O+])[Ru](C#[O+])(C#[O+])(O)(O)O	9Q8	tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium
+C[C@H](C(=O)N1CC[C@@H](C1)F)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2	9Q9	1-cyclopentyl-6-({(2r)-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1ccc(cc1)CCC(=O)N2CCC(CC2)(CN3C=Nc4cc(ccc4C3=O)Cl)O	9QA	7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3h)-one
+C(#[O+])[Ru](C#[O+])(C#[O+])([OH2+])([OH2+])Cl	9QB	chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium
+C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)NC(=O)CCN4CCN(CC4)C)O)c5ccccc5	9QD	n-[3-({4-hydroxy-1-[(3r)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)OO)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	9QF	[(2~{r},3~{s},4~{s})-5-[(4~{a}~{s})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+C[C@H](C(=O)O)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)OC)CO)O	9QG	methyl 3-o-[(1r)-1-carboxyethyl]-beta-d-galactopyranoside
+[H]/N=C/1\C[C@H](C[C@H]1Cc2c(cnc(c2O)C)COP(=O)(O)O)C(=O)O	9QJ	(1s,3s,4e)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid
+c1ccc2c(c1)c(cc(n2)c3cccc(c3)F)C(=O)O	9QK	2-(3-fluorophenyl)quinoline-4-carboxylic acid
+c1ccnc(c1)CN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)CO	9QN	(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
+CCc1c(c(nc(n1)N)N)c2cccc(c2)OCCCOc3c(nc(nc3N)N)CC	9QO	5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
+CC1=C2[C@H]([C@]([C@]3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H]7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1cc(cc2)O)CO)C)(C)CC(=O)N)CCC(=O)N	9QQ	 6-hydroxybenzimidazolyl-norcobamide
+CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3c(nc(nc3N)N)CC	9QR	5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
+c1ccc2c(c1)c(cc(n2)c3cc(cc(c3)Cl)F)C(=O)O	9QT	2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid
+c1ccc2c(c1)cc([nH]2)CNCC(=O)NC3CCC(CC3)c4[nH]c5ccccc5n4	9QU	n-[(1s,4s)-4-(1h-benzimidazol-2-yl)cyclohexyl]-n~2~-[(1h-indol-2-yl)methyl]glycinamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OP(=O)(O)O	9QV	uridine 2',5'-bis(dihydrogen phosphate)
+CC(C)n1c2c(nc1c3cnc(nc3OC)OC)C(=O)N([C@H]2c4ccc(cc4)Cl)C5=CC(=CN(C5=O)C)Cl	9QW	(4~{s})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one
+COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O	9QY	methyl 2-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate
+C([C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	9QZ	[(2~{r},3~{s},4~{r},5~{r},6~{r})-2-[[(2~{s},3~{s},4~{r},5~{s},6~{r})-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methoxy  ]-6-(hydroxymethyl)-3,5-disulfooxy-oxan-4-yl] hydrogen sulfate
+c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4CC5(C4)CCN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl	9R0	2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid
+C(CC[C@@H](C(=O)O)N)CCC(=O)O	9R1	(2s)-2-aminooctanedioic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O	9R2	[(2~{r},3~{s},4~{s},5~{s},6~{s})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hexadecanoate
+c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4[C@@H]5CCC[C@H]4CN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl	9R3	2-[(1r,5s)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid
+CC(C)(C(=O)O)NC(=O)CC[C@H](C(=O)O)N	9R4	d-gamma-glutamyl-2-methyl-l-alanine
+c1cc2c(cc1Cl)OC[C@H](O2)CN	9R5	[(2~{r})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine
+C(CC(=O)NCC(=O)O)[C@@H](C(=O)O)N	9R7	l-gamma-glutamylglycine
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc(cc4)N5CCOCC5	9R8	6-hydroxy-3-(3-methyl-benzyl)-1h-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide
+c1c(cc2c(c1C3(CCCCC3)O)cn[nH]2)Cl	9R9	1-(6-chloro-1h-indazol-4-yl)cyclohexan-1-ol
+Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C	9RA	4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid
+Cc1c(c(n(n1)C)C)/N=N/c2ccc(cc2)/C=C/C(=O)NO	9RB	(2e)-n-hydroxy-3-{4-[(e)-(1,3,5-trimethyl-1h-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)Oc3ccc(cc3)[N+](=O)[O-])O	9RC	5'-o-[(s)-hydroxy(4-nitrophenoxy)phosphoryl]thymidine
+C1CCC2=C(C1)[NH2+][Pt+2][NH2+]2	9RD	(cyclohex-1-ene-1,2-diamine)platinum(2+)
+Cc1cc(ccc1OCC(=O)O)SCc2nnc(s2)c3ccc(cc3)C(F)(F)F	9RF	{2-methyl-4-[({5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}methyl)sulfanyl]phenoxy}acetic acid
+c1ccc(cc1)C(C(F)(F)F)(O)O	9RH	2,2,2-trifluoromethyl acetophenone hydrate
+CN(CCCC[C@@H](C(=O)O)N)[C@H]1C[C@@H]2CC[C@H]1C2	9RI	(2s)-2-amino-6-{[(1s,2s,4r)-bicyclo[2.2.1]heptan-2-yl](methyl)amino}hexanal
+c1ccc2c(c1)OC[C@H](O2)CNC(=O)c3ccco3	9RK	~{n}-[[(3~{r})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]furan-2-carboxamide
+C[C@@](c1ccccc1)([C@H](Cc2ccc(cc2)Cl)n3cncn3)O	9RL	(2r,3s)-4-(4-chlorophenyl)-2-phenyl-3-(1h-1,2,4-triazol-1-yl)butan-2-ol
+CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F	9RM	6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4h)-one
+C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)O)O	9RN	3,6-anhydro-d-galactose
+C[C@H](CCC[C@H](c1ccc(cc1)O)OC)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	9RO	(1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{r})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+c1ccc(cc1)n2c(c(cn2)c3cc4cnccc4[nH]3)O	9RP	1-phenyl-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-5-ol
+C[C@@H](c1ccccc1)P(=O)(O)Oc2ccc3c(c2)OC(=O)C=C3CS(=O)(=O)O	9RQ	[2-oxidanylidene-7-[oxidanyl-[(1~{s})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid
+CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3ccc(cc3)c4c(nc(nc4N)N)CC	9RR	5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine)
+Cc1c(c(n(n1)c2cccc(c2)CNC(=O)Nc3ccccc3)O)c4cc5cnccc5[nH]4	9RS	n-({3-[5-hydroxy-3-methyl-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea
+c1ccnc(c1)CNS(=O)(=O)c2ccc(cc2)CN	9RT	4-(aminomethyl)-~{n}-(pyridin-2-ylmethyl)benzenesulfonamide
+Cc1cc(c(c(c1)C)N2CC[N+](=C2[Ru](Cl)Cl)c3c(cc(cc3C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C)C	9RU	[1-[4-[[5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium
+CCCCC(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O	9RV	n-({3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-1-yl]phenyl}methyl)pentanamide
+C[C@@H](c1ccccc1)C(=O)O	9RW	(2~{s})-2-phenylpropanoic acid
+c1ccc(c(c1)c2[nH]nc(n2)SCC(=O)Nc3[nH]c4ccccc4n3)C(=O)O	9RX	2-[3-[2-(1h-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1h-1,2,4-triazol-5-yl]benzoic acid
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cncnc5[nH]4)O	9RY	n-({3-[5-hydroxy-4-(7h-pyrrolo[2,3-d]pyrimidin-6-yl)-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea
+CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)[nH]nc4C(=O)N5CCC[C@@H](C5)OC	9RZ	3-[(3~{s})-3-methoxypiperidin-1-yl]carbonyl-~{n}-methyl-~{n}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{h}-indazole-5-carboxamide
+CCCc1c2c([nH]n1)OC(=C([C@@H]2c3cc(c(c(c3)OC)O)N(=O)=O)C#N)N	9S0	(4r)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5c([nH]4)ccc(n5)N)O	9S1	n-({3-[4-(5-amino-1h-pyrrolo[3,2-b]pyridin-2-yl)-5-hydroxy-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CN4CCCCC4)Nc5ccccc5	9S3	1-[(2s,4r)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2h)-yl]ethanone
+CC(=O)N[C@H]1[C@@H]([O+]=C([C@@H]([C@@H]1O)F)C(=O)O)C[C@@H](CO)O	9S4	(2~{s},3~{r},4~{r},5~{r})-3-acetamido-2-[(2~{s})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
+C[C@@H](c1cnccn1)Nc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4	9S5	(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1s)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone
+CC(C)N1CCN(CC1)c2ccc(cc2)/C(=C(/CCCO)\c3ccccc3)/c4cccc(c4)O	9S6	3-[(~{e})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
+CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H](CCO)O)C(=O)O)F)O	9S7	5-acetamido-2,6-anhydro-3,5,8-trideoxy-3-fluoro-d-threo-l-galacto-nononic acid
+S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2	9S8	non-cubane [4fe-4s]-cluster
+C(CBr)S(=O)(=O)O	9SB	2-bromanylethanesulfonic acid
+c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4	9SC	7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1h-quinolin-2-one
+CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H](CCO)O)C(=O)O)F)O	9SD	(2~{r},3~{r},4~{r},5~{r})-3-acetamido-2-[(1~{r})-1,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
+C[C@]1(N[C@@H](C[Se]1)C(=O)O)C(=O)O	9SE	(2~{r},4~{r})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid
+c1ccc2c(c1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@H](CCCN3)O	9SF	3-{3-[(2r,3s)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3h)-one
+CC(=O)N[C@@H]1C[C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F	9SG	(2r,3r,5r,6r)-5-acetamido-2,3-bis(fluoranyl)-6-[(1r,2r)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+c1cc(ccc1CN)C[n+]2cnc3c(c2N)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	9SI	[(2r,3s,4r,5r)-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC(=O)N[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)F)C(=O)O)C[C@@H](CO)O	9SJ	5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-d-threo-l-galacto-nononic acid
+c1cc(c(c2c1OC(=O)C(=C2)CO[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F)O)CO)O)F)F	9SK	5,6-bis(fluoranyl)-3-[[(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one
+C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)N=C(N3)N)COC(=O)N)N	9SL	[(3as,4r,10as)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3h,8h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
+CC(=O)N[C@H]1[C@@H](O[C@]([C@@H]([C@@H]1O)F)(C(=O)O)F)C[C@@H](CO)O	9SM	(2r,3r,4r,5r,6s)-5-acetamido-6-[(2s)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
+c1cc(c(c(c1)F)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	9SN	6-fluoroanthraniloyl-amp
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H](CCO)O)(C(=O)O)F)F)O	9SP	(2r,3r,4r,5r,6r)-5-acetamido-6-[(1r)-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
+C1NC[Se]2[Fe]3([Se]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	9SQ	dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethaneselenato- 1kappas:2kappas)-mu-(oxomethylidene)diiron(2+)
+C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O	9SR	(1r,5r,6r,7r,9s,11s,12s,13s,14s)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name)
+c1c(cnc(n1)NC2(CC2)c3cncnc3)C(=O)N4CCC[C@H](C4)C#N	9SS	(3r)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile
+CN1C[C@H](C[C@H](C1)NC2=C(C(=O)N(N=C2)C)Br)c3ccccc3	9ST	4-bromo-2-methyl-5-[[(3~{r},5~{r})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one
+c1cc2c(c(c1)Cl)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CN2	9SU	2-(4-chloro-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3h)-one
+CN1CCN(CC1)C2=C(C(=O)c3ccccc3C2=O)Sc4ccccc4	9SV	2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione
+CCCCCCCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC	9SW	methoxy-[(3~{r})-3-[(2~{r})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
+c1ccc(cc1)C[n+]2cnc3c(c2N)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	9SY	[(2r,3s,4r,5r)-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O	9SZ	c42 h32 o8 p2
+c1cc(ccc1CP(=O)(O)O[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](COC(=O)CCCC(=O)O)NC(=O)C(Cl)Cl)NC(=O)C(F)(F)F	9T0	5-[(2r,3r)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-[oxidanyl-[[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]methyl]phosphoryl]oxy-propoxy]-5-oxidanylidene-pentanoic acid
+C[C@H]([C@H]([C@H]1[C@@H](C(=O)[C@H]([C@H](O1)C(=O)O)F)NC(=O)C)O)O	9T1	5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-d-erythro-l-gluco-non-4-ulosonic acid
+CCOC(=O)NC(=O)c1cc(sc1NC(=O)c2nc3ccccc3s2)F	9T2	ethyl ~{n}-[2-(1,3-benzothiazol-2-ylcarbonylamino)-5-fluoranyl-thiophen-3-yl]carbonylcarbamate
+c1c[nH]c2c1c(c(cn2)C(=O)N)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O	9T6	4-[[(1s,3r)-5-oxidanyl-2-adamantyl]amino]-1h-pyrrolo[2,3-b]pyridine-5-carboxamide
+C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)NC(=O)C)O)O	9T7	(2r,3r,4r,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
+C[NH+](C)CCCNC(=O)CC[NH3+]	9T8	3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium
+CN1CCN(CC1)CCNc2cc3c(c(c2)F)C(=O)c4c(c([nH]c4c5nccs5)Cc6ccc7c(c6)OCO7)O3	9T9	3-[(2h-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2h)-one
+c1ccc2c(c1)C(=O)c3ccccc3C2=O	9TA	1,4-bis-[2-(2-hydroxy-ethylamino)-ethylamino]-anthraquinone
+c1cc(ccc1CNC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F	9TB	(2~{s})-2-[[(2~{s})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+c1cnc(cn1)CNc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4	9TC	(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@@H]2c3ccccc3NC2=O)C(=O)O)O	9TD	1-carboxy-1-{[(e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]azaniumyl}-2-[(3r)-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-ide
+COc1cccc(c1)Oc2ccc3c(c2)S(=O)(=O)NCN3C4CC4	9TE	4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O	9TF	purpurin
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O	9TG	3-[(2r)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid
+C[C-]12C3(=C4([Ir+3]1356(C2(=C54C)C)([N-](CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)[Cl-])C)C	9TH	pentamethylcyclopentadienyl iridium [n-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride
+Cc1c(n2ccccc2n1)c3ccn[nH]3	9TI	2-methyl-3-(1~{h}-pyrazol-5-yl)imidazo[1,2-a]pyridine
+B([C@H](Cn1cc(nn1)c2cccc(c2)C(=O)O)NC(=O)Cc3cccs3)(O)O	9TJ	3-{1-[(2r)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1h-1,2,3-triazol-4-yl}benzoic acid
+Cn1ccnc1C(=O)O	9TK	1-methylimidazole-2-carboxylic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC	9TL	2-azaniumylethyl (2r)-2,3-bis{[(9z)-octadec-9-enoyl]oxy}propyl phosphate
+C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H](C(=[O+]1)C(=O)O)F)O)NC(=O)C)O)O	9TM	(2~{r},3~{r},4~{r},5~{r})-3-acetamido-2-[(1~{r},2~{r})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
+CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C/C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)O)([C@](C(=O)O3)(C)O)O	9TN	debutanoyl thapsigargin
+COc1ccc(cc1)Nc2nccc(n2)c3c[nH]nc3c4cccnc4	9TO	n-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1h-pyrazol-4-yl]pyrimidin-2-amine
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)c8cccs8)O)O)OCO4	9TP	(5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-o-(thiophen-2-ylmethylidene)-beta-d-glucopyranoside
+c1cc(c(cc1NC(=S)NCCO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)O)C3c4ccc(cc4OC5=C3C=CC(=O)C5)O	9TQ	5-[2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid
+c1cc(cc(c1)N=[N+]=[N-])COC(=O)NCCCC[C@@H](C(=O)O)N	9TR	n6-{[(3-azidophenyl)methoxy]carbonyl}-l-lysine
+CC/C=C/C(=O)O	9TS	(2e)-pent-2-enoic acid
+Cn1ccc2c1ccc(c2)N	9TT	1-methylindol-5-amine
+c1cc(cc(c1)C2(N=N2)C(F)(F)F)COC(=O)NCCCC[C@@H](C(=O)O)N	9TU	n6-[({3-[3-(trifluoromethyl)-3h-diaziren-3-yl]phenyl}methoxy)carbonyl]-l-lysine
+c1cnc(nc1)CCC(=O)Nc2cc(n[nH]2)c3ccc4c(c3)CCCC4	9TV	3-(pyrimidin-2-yl)-n-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1h-pyrazol-5-yl]propanamide
+c1cc(c(cc1C(=O)N)Cl)F	9TW	3-chloranyl-4-fluoranyl-benzamide
+C#Cc1cccc(c1)COC(=O)NCCCC[C@@H](C(=O)O)N	9TX	n6-{[(3-ethynylphenyl)methoxy]carbonyl}-l-lysine
+C1CC1(C(=O)O)C(=O)O	9TY	cyclopropane-1,1-dicarboxylic acid
+Cc1ccc(cc1C(=O)O)F	9TZ	5-fluoranyl-2-methyl-benzoic acid
+C1CCC=CC(CC1)OC(=O)NCCCC[C@@H](C(=O)O)N	9U0	n6-({[(1s,2e)-cyclooct-2-en-1-yl]oxy}carbonyl)-l-lysine
+CC(C)c1c(ncs1)C=O	9U2	5-propan-2-yl-1,3-thiazole-4-carbaldehyde
+CN(C)CCN(C)C	9U3	n,n,n',n'-tetramethylethane-1,2-diamine
+CNC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1	9U4	3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-n-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide
+CC(C)N1C=CC(c2c1ccc(c2)C#Cc3ccc(cc3)C(=O)O)(C)C	9U5	4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid
+c1ccc(cc1)COC(=O)NCC[Se]C[C@@H](C(=O)O)N	9U6	3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-l-alanine
+CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)N4CCCc5c4ccc(c5)c6cnn(c6)C)C1	9U7	1-{3-[6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-[(3s)-oxolan-3-yl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)c4ccccn4	9U8	ethyl 1-[[(2~{s})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{s})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate
+C1C[C@@H]2[C@@H](C2COC(=O)NCCCC[C@@H](C(=O)O)N)CCC#C1	9U9	n6-({[(1r,8s,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-l-lysine
+CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1	9UA	1-{3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-[(3s)-oxolan-3-yl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)/C)/C)/C)C	9UB	[(2~{s},3~{r},4~{r},5~{s},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{z},6~{z},10~{z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid
+c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)[N+](=O)[O-]	9UC	n6-{[(4-nitrophenyl)methoxy]carbonyl}-l-lysine
+CC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1	9UD	1-{3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+C[C@@H]\1C[C@@H](OC(=O)C[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H](C/C(=C1)/C)C)C)C)Cc2c3ccccc3[nH]c2Br)c4ccc(cc4)O)C	9UE	jasplakinolide
+c1cc(ncc1COC(=O)NCCCC[C@@H](C(=O)O)N)N	9UF	n6-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-l-lysine
+Cc1ccc2c(c1)O[C@@H](CN2C(=O)NC)C	9UG	(2r)-n,2,7-trimethyl-2,3-dihydro-4h-1,4-benzoxazine-4-carboxamide
+[B]1B234B5B6[Co]17891%10%11(B2[C@]72C866B55B33B65B432)B2B345B9C11(B33B446B522B%105B242C%1151B623)CNS(=O)(=O)N	9UK	cobaltcarborane
+CN\1CCC/C1=C\2/C=Nc3c2cccc3	9UL	(3~{z})-3-(1-methylpyrrolidin-2-ylidene)indole
+CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C	9UM	3-(bromomethyl)-2,5,6-trimethyl-1h,7h-pyrazolo[1,2-a]pyrazole-1,7-dione
+CN1CCC(CC1)NC(=O)c2cc(on2)c3c(cc(cc3Oc4ccc(cc4)[N+](=O)[O-])O)O	9UN	5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-n-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
+C[C@H](C(F)(F)F)Nc1nc(nc(n1)N[C@H](C)C(F)(F)F)c2cccc(n2)Cl	9UO	6-(6-chloropyridin-2-yl)-n2,n4-bis[(2r)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
+[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)OC)/N	9UP	methyl (7-carbamimidoylnaphthalen-1-yl)carbamate
+CC[C@@]1(CCC(=O)NC1=O)c2ccc(cc2)N	9UQ	(3~{r})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione
+C1=SC(=O)NC1=O	9UT	1,3-thiazole-2,4-dione
+c1cc(c(cc1OCCN2CCOCC2)OCCN3C=CC(=O)NC3=O)Oc4cc(cc(c4)Cl)/C=C/C#N	9UV	(2e)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+C1=NC(=S)NC1=O	9UW	2-sulfanylideneimidazol-4-one
+O=[MoH2]1S[MoH2](=O)S1	9UX	dioxo(di-mu-sulfide)dimolybdenum
+Cc1c(c([nH]c1CC2=NC(=O)[C@@H]([C@H]2C=C)C)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O	9UY	3-[5-[[(3~{r},4~{r})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+C1CC(=O)NC(=O)C1	9UZ	piperidine-2,6-dione
+c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)N=[N+]=[N-]	9V0	(2s)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid
+CC[C@@H]1[C@H](C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C	9V1	3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl] methyl]-5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]pro panoic acid
+CC[C@]1(CC(=O)NC1=O)C	9V2	(3~{s})-3-ethyl-3-methyl-pyrrolidine-2,5-dione
+Cc1cccc(n1)[C@H]2c3ccsc3CCN2C(=O)CNCC(C)C	9V3	2-(2-methylpropylamino)-1-[(4r)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl]ethanone
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2[N+](=O)[O-])Cl	9V5	4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene
+c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Cl	9V6	(2s)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid
+c1ccc(cc1)NC(=O)O	9V7	phenylcarbamic acid
+c1cc2c(cc1C(=O)NCC3[C@H]4[C@@H]3CN(C4)C(=O)OCc5cc(cc(c5)C(F)(F)F)C(F)(F)F)nn[nH]2	9V8	[3,5-bis(trifluoromethyl)phenyl]methyl (1~{s},5~{r})-6-[(1~{h}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
+CC1=CN(C(=S)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O	9V9	1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1h)-one
+C1=N[C@H](C(=O)N[C@H]1CCC(=O)N)CO	9VA	3-[(2s,5s)-5-(hydroxymethyl)-6-oxo-1,2,5,6-tetrahydropyrazin-2-yl]propanamide
+c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N	9VC	(2s)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid
+CC([C@@H](C=O)N)O	9VD	(2s,3s)-2-amino-3-hydroxybutanal
+CN(C)C(=O)c1cccc(c1)S(=O)(=O)N2CCC[C@H]2C(=O)O[C@@H](Cc3c(c[n+](cc3Cl)O)Cl)c4ccc(c(c4)OCC5CC5)OC(F)F	9VE	[(1~{s})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{s})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate
+C[Si](C)(C)COC(=O)NCCCC[C@@H](C(=O)O)N	9VF	(2s)-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid
+C/C(=C\C(=O)OC)/[C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6ccccc6C5=O)O)O	9VG	methyl (2e)-3-[(1as,11s,11as,14z,18r)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11ah-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate
+C1[C@@H]([C@H]([C@@H](CN1)O)O)CS(=O)(=O)O	9VH	[(3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid
+Cc1c(c(c(s1)c2ccccn2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C	9VK	(2~{s})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Br	9VL	(2s)-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid
+Cc1c(c(c(s1)c2ccncc2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C	9VN	(2~{s})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+c1ccc(cc1)CNc2ccccn2	9VO	n-(phenylmethyl)pyridin-2-amine
+CC(=O)N[C@@H]1C[C@H]([C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)F	9VP	5-acetamido-2,6-anhydro-3,4,5-trideoxy-3-fluoro-d-erythro-l-gluco-nononic acid
+c1cnn(c1)Cc2ccc(cc2)CO	9VQ	[4-(pyrazol-1-ylmethyl)phenyl]methanol
+c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)C2(N=N2)C(F)(F)F	9VR	(2s)-2-azanyl-6-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid
+CN1CCN(CC1)Cc2ccc(cc2)c3cnc(nc3NC4CCC(CC4)O)Nc5ccc(cc5)C#Cc6cc(ccn6)C7OCCO7	9VS	cis-4-[(2-[(4-{[4-(1,3-dioxolan-2-yl)pyridin-2-yl]ethynyl}phenyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}pyrimidin-4-yl)amino]cyclohexan-1-ol
+CCNc1nnc(s1)Cn2c(cc(n2)C)C	9VT	5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{n}-ethyl-1,3,4-thiadiazol-2-amine
+Cc1ccc2c(c1Br)[C@](C(=O)N2)(CC(=O)c3ccc4c(c3)OCO4)O	9VU	(3s)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1h-indol-2-one
+c1cc(cnc1)CNC(=O)NC2CCCCC2	9VW	1-cyclohexyl-3-(pyridin-3-ylmethyl)urea
+CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(C)S(=O)(=O)C)c4ccc5c(n4)-c6cc7c(n6CO5)cccc7F	9VY	2-(4-fluorophenyl)-5-(11-fluoro-6h-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-n-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
+CCOC(=O)[C@@H]1CCc2c(sc(n2)C)C1	9VZ	ethyl (6~{r})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
+Cc1cc(cc(n1)[C@@H]2CCN(C2)C(=O)c3c(non3)N)Nc4cccc(c4)OC	9W1	(4-amino-1,2,5-oxadiazol-3-yl)[(3r)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone
+CC(=O)NC1CCN(CC1)c2ncccn2	9W2	~{n}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide
+Cc1cc(cc(c1Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C)/C=C/C#N	9W3	4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile
+c1cc(ccc1CN2C(=O)C=NC2=O)C(=O)Nc3ccc4c(c3)sc(n4)N5CCOCC5	9W4	4-[(2,5-dioxo-2,5-dihydro-1h-imidazol-1-yl)methyl]-n-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide
+Cc1cc(n(n1)Cc2ccccc2)N	9W5	5-methyl-2-(phenylmethyl)pyrazol-3-amine
+CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3cnccc3s2	9W6	ethyl {2-[([1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl}carbamate
+CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O	9W7	2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol
+CC1=CC(=O)C(=C(N1)C)C2CCN(CC2)c3ncccn3	9W8	2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{h}-pyridin-4-one
+Cn1cncc1[C@@](c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6ccc(nc6)C(F)(F)F)O	9WA	(r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
+CC1=CC(=O)C(=C(N1)C)c2ccccc2	9WB	2,6-dimethyl-3-phenyl-1~{h}-pyridin-4-one
+CC(=O)N1CCC(CC1)[C@@](c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6cncn6C)O	9WD	1-{4-[(r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one
+c1cc(cnc1)CNC(=O)NC2CCN(CC2)c3ncccn3	9WE	1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
+Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C	9WG	4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]-6-methyl-6,7-dihydro-5h-pyrrolo[3,4-b]pyridin-5-one
+Cc1cc(n(n1)Cc2nnc(s2)Nc3ccn(n3)Cc4c(cccc4Cl)F)N	9WH	5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{n}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine
+Cc1cc2cc(cn2c(c1Nc3ccnc(n3)Nc4ccc(cc4)C#N)C)C#N	9WI	(4r)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)NC(=O)C	9WJ	4-acetamido-4,6-dideoxy-beta-d-mannopyranose
+Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)N	9WK	4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{n}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide
+CC(=O)N[C@@H]1C[C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)F	9WM	(2~{r},3~{r},5~{r})-3-acetamido-5-fluoranyl-2-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O	9WN	(2r)-2-(alpha-d-glucopyranosyloxy)-3-hydroxypropanoic acid
+c1ccc2c(c1)cc([nH]2)C(=O)N[C@H]3CCCN(C3)c4cc(n[nH]4)c5ccncc5	9WO	n-{(3s)-1-[3-(pyridin-4-yl)-1h-pyrazol-5-yl]piperidin-3-yl}-1h-indole-2-carboxamide
+Cc1c(c2c(o1)ccc(c2CN3CCCCCC3)O)C(=O)Nc4ccc(cc4)C(F)(F)F	9WP	4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-n-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide
+Cc1ccc(cc1O)c2cccc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC	9WR	[6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
+c1ccc(c(c1)NC(=O)c2cnn3c2cccc3)Cl	9WS	n-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
+C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)O	9WT	cefepime
+C(CN)C(=O)N[C@@H](CN)C(=O)O	9WV	beta-alanyl-3-amino-l-alanine
+CCOC(=O)Cn1cc(nc1)S(=O)(=O)n2ccc3c2nc(cn3)CCc4cc(cc(c4)OC)OC	9WX	ethyl [4-({3-[2-(3,5-dimethoxyphenyl)ethyl]-5h-pyrrolo[2,3-b]pyrazin-5-yl}sulfonyl)-1h-imidazol-1-yl]acetate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC([C@@H]([C@@H](CO)O)OP(=O)(O)O)O	9WY	1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-3-o-phosphono-d-ribitol
+c1cc(c(cc1CCO)O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO	9WZ	2-hydroxy-4-(2-hydroxyethyl)phenyl beta-d-fructofuranoside
+c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3	9X0	n-(cyclohexylmethyl)-4-oxo-4h-1-benzopyran-2-carboxamide
+CN(c1ccc(cc1)Cl)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c5ccc(cc5)C[n+]6ccc(c7c6cccc7)N(C)c8ccc(cc8)Cl	9X1	1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}
+c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCC(CC4)CNC(=O)[C@@H]5CCCN5	9X2	~{n}-(2,3-dihydro-1~{h}-inden-2-yl)-3-[[4-[[[(2~{s})-pyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide
+CNCc1cccc(c1)CN2CCOCC2	9X3	n-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine
+Cc1cnc(o1)C(C)(C)C#Cc2ccc3c(c2)-c4nc(c(n4C5CC3C5)C(=O)NC)C(=O)N	9X4	(5s,7s)-n~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5h-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide
+CC1=NCc2ccccc2-c3c1cccc3	9X5	5-methyl-7~{h}-benzo[d][2]benzazepine
+C(C(=O)O)SCC(=O)O	9X6	thiodiglycolic acid
+CCOC(=O)C(=O)C	9X7	ethyl 2-oxopropanoate
+CC(=S)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	9X8	 thioacetyl-adp-ribose
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N)N	9X9	3,5-bis(azanyl)-n-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide
+CC(C)(C)S(=O)(=O)c1cn2c(cc1OCCN3CCN(CC3)C)ncc2c4cc(nc(c4)Cl)N	9XA	4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine
+CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C(=O)O[C@H]([C@@H]([C@@H]3CC[C@@H](O3)[C@H](C(=O)O1)C)C)[C@H](C)[C@H]4CC[C@H](O4)C[C@@H](CCC)N(C)C)C	9XB	pamamycin 607
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2OC)OC)N)N	9XC	3,5-bis(azanyl)-n-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide
+CC1=C(Nc2cc(ccc2C1=O)OC)c3cc(cnc3)c4ccc(cc4)OC(F)(F)F	9XE	7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]-1~{h}-quinolin-4-one
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N)N	9XF	3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-n-carbamimidoyl-pyrazine-2-carboxamide
+Cc1cccc(c1)Nc2ccccc2	9XG	3-methyl-n-phenylaniline
+c1ccc2c(c1)CN(C2)C(=O)[C@H](CC(=O)N3CCN(CC3)C(c4ccc(cc4)F)c5ccc(cc5)F)N	9XH	(2~{s})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione
+c1cc(cc(c1)Cl)Oc2c3c(ncnc3n(n2)CC4CCNCC4)N	9XJ	3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1ccc2c(c1)sc(n2)NC(=O)CSC3=NC4=C(C(=O)N3c5ccccc5)SCC4	9XK	~{n}-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide
+c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCN(CC4)S(=O)(=O)NC(=O)O[C@H]5CCCN[C@@H]5CC(=O)CN6C=Nc7cc(c(cc7C6=O)Cl)Br	9XM	[(2~{r},3~{s})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidin-3-yl] ~{n}-[4-[[3-(2,3-dihydro-1~{h}-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperazin-1-yl]sulfonylcarbamate
+NP(=S)(O)O	9XN	phosphoramidothioic o,o-acid
+CC(C)(C)n1c2c(c(ncn2)N)c(n1)Nc3cccc(c3)Cl	9XP	1-tert-butyl-n~3~-(3-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine
+c1cc(cc(c1)NC(=[NH2+])N)C(=O)O	9XQ	[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium
+c1cc(cc(c1)N[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	9XR	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2r,3s,4r,5s)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O	9XS	(2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+Cc1cc(ccc1N)Cn2c3c(c(nc(n3)N)c4ccco4)nn2	9XT	3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
+CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Cl)c(ncn2)N	9XV	1-tert-butyl-3-[(3-chlorophenyl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC1(CCN(CC1)C(=O)Nc2nc3c(ccc(c3s2)N4CCOCC4)OC)O	9XW	~{n}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCC[C@@H](C)CCCCCCCC	9XX	(2s)-1-(hexadecanoyloxy)propan-2-yl (10s)-10-methyloctadecanoate
+CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3	9XY	endoxifen
+Cn1nc(nn1)c2cc(cnc2N)c3ccsc3	9XZ	3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN	9Y0	(2r)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (e)-octadec-9-enoate
+c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F	9Y1	2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
+CC(C)(C)CC(=O)Nc1c(cc(cc1F)C(=O)Nc2nccs2)F	9Y2	4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{n}-(1,3-thiazol-2-yl)benzamide
+c1ccc(cc1)/C=C\C=O	9Y3	(2z)-3-phenylprop-2-enal
+Cc1c2c(n(n1)c3cccc(c3)Cl)-c4ccccc4S(=O)(=O)N2	9Y5	1-(3-chlorophenyl)-3-methyl-4~{h}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide
+c1ccc(cc1)/C=C/C=O	9Y6	(2e)-3-phenylprop-2-enal
+c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N	9Y7	2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
+CN1c2c([nH]nc2c3ccc(cc3)F)-c4ccccc4S1(=O)=O	9Y8	3-(4-fluorophenyl)-4-methyl-1~{h}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide
+C[C@H]1Cc2cc(ccc2S(=O)(=O)[N@@](C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)F	9Y9	tert-butyl {(2s,3r)-4-[(4s)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1ccc(cc1)c2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(cc6)S(=O)(=O)N	9YA	2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
+COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@H](CC(=O)O)c5ccccc5)C3	9YB	(3~{r})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid
+c1cc(c(cc1c2cc(n(n2)c3nc(cs3)C(=O)O)O)F)F	9YD	2-[3-(3,4-difluorophenyl)-5-hydroxy-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
+CC(C)n1c2c(c3c1-c4c(cccc4OCC=C(C)C)C3=O)C(=O)CCC2	9YE	4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC[C@@H](C)CCCCCCCCC)COP(=O)(O)OC1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O	9YF	(2r)-2-(hexadecanoyloxy)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9s)-9-methyloctadecanoate
+CC(C)(C)n1c2c(c(n1)Cc3c[nH]c4c3cccc4)c(ncn2)N	9YG	1-tert-butyl-3-[(1h-indol-3-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+COc1cccc(c1O)CN(CCN(Cc2ccccc2SC)CC(=O)O)CC(=O)O	9YH	2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid
+CC(C)(C)n1c2c(c(ncn2)N)c(n1)Sc3cccc(c3)Cl	9YJ	1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CSc1ccccc1CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=O)O	9YK	2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid
+CCOC(=O)[C@@H](C)O	9YL	ethyl (2r)-2-oxidanylpropanoate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)N)O	9YM	[4-({[(1r,2s,3s,4r,5s)-5-amino-2,3,4-trihydroxycyclohexyl]amino}methyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+CC(C)C[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N	9YN	(2~{s})-~{n}-[(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-4-methyl-pentanamide
+Cc1ccc2c(c1)c(cn2S(=O)(=O)c3ccccc3Cl)[C@@H]4CNC(=N4)C	9YO	1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4r)-2-methyl-4,5-dihydro-1h-imidazol-4-yl]-1h-indole
+c1nc2c(n1C[C@H](COCCP(=O)(O)O)COCP(=O)(O)O)N=C(NC2=O)N	9YP	{[(2r)-2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methyl]-3-(2-phosphonoethoxy)propoxy]methyl}phosphonic acid
+CCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ncc4c(n3)N(c5ccc(cc5C(=O)N4C)C)C	9YQ	4-(propanoylamino)-~{n}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide
+CNC(=O)c1cnc(cc1N[C@@H](Cc2ccccc2)CO)Nc3ccc4c(c3)scn4	9YS	6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2s)-1-hydroxy-3-phenylpropan-2-yl]amino}-n-methylpyridine-3-carboxamide
+CC(=O)NCC[C@@H](C(=O)O)N	9YT	(2~{s})-4-acetamido-2-azanyl-butanoic acid
+COCCOCCOCCOCCOCCOCCOCCO	9YU	2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
+CN1CCC(CC1)NC(=O)c2ccc(cc2)Nc3cc(c(cn3)C(=O)N)NCc4ccccc4	9YV	4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)O)O)O)O)O	9YW	(alpha-d-glucopyranosyloxy)acetic acid
+c1ccc(cc1)CNc2cc(ncc2C(=O)N)Nc3ccc4c(c3)CC(=O)N4	9YY	4-(benzylamino)-6-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]pyridine-3-carboxamide
+CCC(=O)N1CCN(c2c1cccc2)C(=O)OC	9YZ	methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
+c1c(c([nH]c1C(=O)NCCCO)Br)Br	9Z0	4,5-dibromo-n-(3-hydroxypropyl)-1h-pyrrole-2-carboxamide
+CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)O	9Z1	(3e,7ar,12as)-6-hydroxy-3-[(1h-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1h,5h-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3h)-dione
+CCC(=O)Nc1ccc(cc1)c2ncccn2	9Z2	~{n}-(4-pyrimidin-2-ylphenyl)propanamide
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)O)O	9Z3	n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-l-cysteine
+CCC(=O)Nc1cccc(c1)CNc2c3cccn3ncc2C(=O)N	9Z4	4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CSSC[C@@H](C(=O)O)N)C(=O)O)O	9Z6	(5r,12r,17r)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name)
+CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)OC	9Z7	(3e,7ar,12as)-3-[(1h-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1h,5h-imidazo[1 ',2':1,2]pyrido[2,3-b]indole-2,5(3h)-dione
+c1ccc(cc1)NC(=O)CCCCCNC(=O)CS	9Z8	6-(2-mercaptoacetylamino)-n-phenylhexanamide
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(COC)COC)C)C)C)OC1	9Z9	(3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en
+C[C@@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	9ZA	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~{s})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
+CCC(=O)N1CCN(c2c1cccc2)CC	9ZB	1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
+CC(C)c1cc(c(cc1O)O)c2c(c([nH]n2)NC(=O)C)c3ccc(cc3)OC	9ZC	n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1h-pyrazol-5-yl}acetamide
+C[C@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	9ZD	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~{r})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
+CC(=O)c1ccc2c(c1)OCCO2	9ZE	1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
+c1cc(c(c(c1NC(=O)NC2C3CC4CC(C3)CC2C4)F)F)F	9ZF	1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea
+CN(CN)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2	9ZG	(phenylmethyl) ~{n}-[(2~{s})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
+C[C@@H]1Nc2ccc(cc2[C@@](O1)(C#CC3CC3)C(F)(F)F)Cl	9ZJ	(2r,4s)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2h-3,1-benzoxazine
+C[C@H]1CC/C=C(/C[C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](CC(=O)O1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCN)C)\C	9ZK	(4~{r},7~{r},10~{s},13~{s},15~{e},19~{s})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{h}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
+COC(=O)Nc1ccc-2c(c1)NC(=O)CCc3c(ccc(n3)C[C@@H](c4[nH]cc2n4)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl)F	9ZM	methyl [(11s)-11-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2h-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate
+CC[C@@H]1C2NN=CN2c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CC6	9ZP	4-[[(4r)-5-cyclopentyl-4-ethyl-3a,4-dihydro-3h-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-n-cyclopropyl-3-methoxy-benzamide
+Cc1cc2c(cc1C)nc3c4ccc[n+]5c4c6c(c3n2)ccc[n+]6[Ru]578([n+]9cccc1c9c2[n+]7cccc2cc1)[n+]1cccc2c1c1[n+]8cccc1cc2	9ZQ	ru(phen)2(dppz-11,12-me2)
+c1cc(c(c(c1)Cl)c2[nH]c3ccnc(c3n2)NC(=O)C4CC4)Cl	9ZS	n-[2-(2,6-dichlorophenyl)-1h-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
+COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O	9ZT	(1r,2s,4s,5r)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
+c1ccc(cc1)CC2=NN3C(=Nc4ccccc4C3=NC2=O)CCC(=O)O	9ZV	3-(3-benzyl-2-oxo-2h-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid
+CC1=C(C(=O)Oc2c1ccc(c2)O[C@H](C)c3ccccc3)CN4CCOCC4	9ZW	4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{r})-1-phenylethoxy]chromen-2-one
+CC1=C(C(=O)Oc2c1ccc(c2)OC[C@@H](C)c3ccccc3)CN4CCOCC4	9ZX	4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{s})-2-phenylpropoxy]chromen-2-one
+CC1=CC(=O)Oc2c1c(nn2c3ccc(c(c3)C(=O)O)Cl)c4ccccc4	9ZY	2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6h)-yl)benzoic acid
+c1ccc(c(c1)C2=C3C=C(C(=O)C(=C3Oc4c2cc(c(c4I)O)I)I)I)C(=O)O	9ZZ	erythrosin
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	A	adenosine-5'-monophosphate
+CC(C)CN([C@@H](CCCCNC(=O)[C@H](C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)N	A00	n-[(5s)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+[B-](CNC(=O)c1c(cccc1OC)OC)(O)(O)O	A01	[(2,6-dimethoxyphenyl)carbonylamino]methyl-trihydroxy-boron
+[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	A02	(10r,20r,23r)-10-(4-aminobutyl)-1-[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide
+[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](C)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	A03	(10r,20r,23r)-1-[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide
+c1ccc(c(c1)c2ccc(o2)C(=O)O)OC(F)(F)F	A04	5-[2-(trifluoromethoxy)phenyl]-2-furoic acid
+c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)O	A05	5-(2-chloro-4-nitrophenyl)-2-furoic acid
+c1cc(ccc1[C@@H](Cc2[nH]c3ccc(cc3n2)Cl)CC(=O)O)Cl	A06	(3s)-4-(5-chloro-1h-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid
+CCCC(=O)Nc1c2cc(c(cc2[nH]n1)Cl)c3ccccc3	A07	n-(6-chloro-5-phenyl-1h-indazol-3-yl)butanamide
+c1cc(nc(c1)Cl)[C@@H](C#N)c2ccc(cc2)Cl	A08	(2s)-(4-chlorophenyl)(6-chloropyridin-2-yl)ethanenitrile
+c1ccc(cc1)S(=O)(=O)NO	A09	n-hydroxybenzenesulfonamide
+C([C@@H](C(=O)O)N)C(=O)OC=O	A0A	(2s)-2-amino-4-(formyloxy)-4-oxobutanoic acid
+c1c2c(c(c(c1Br)[O-])Br)OC3=C(C(=O)C(=CC3=C2c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)O)Br)Br	A0B	phloxine b
+Cc1cc(nc(n1)SCc2cc(no2)C(=O)N)C	A0C	5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide
+CC[N@]1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4	A0D	n-adamantan-2-yl-1-ethyl-d-prolinamide
+C(=C(/C(=O)O)\N)\O	A0G	(2z)-2-amino-3-hydroxyprop-2-enoic acid
+CS(=O)(=O)NCc1cccc(c1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl	A0H	n-(3-{3-chloro-8-[(4-morpholin-4-ylphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzyl)methanesulfonamide
+C[C@]1(c2cc(ccc2NC1=O)c3cnn(c3)C)Cc4ccccc4	A0J	3-benzyl-3-methyl-5-(1-methylpyrazol-4-yl)indolin-2-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(CO)CO)O)O)O)O	A0K	1,3-dihydroxypropan-2-yl alpha-d-glucopyranoside
+CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)Cc5nc(no5)C(C)(C)C)C	A0L	2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3h)-one
+CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C	A0O	7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N	A0P	9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-l-arabinofuranosyl}-9h-purin-6-amine
+CN1CCN(CC1)c2ccc(c(c2)C(=O)Nc3cccnc3)OCc4ccccc4	A0Q	5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{n}-pyridin-3-yl-benzamide
+COc1ccccc1/C=C/C(=O)c2ccc(cc2O)O	A0R	2',4'-dihydroxy-2-methoxychalcone
+Cc1ccc2c(c1)[C@H](N(CC(=O)N2)C(=O)c3ccc(o3)Br)c4ccc(cc4)F	A0S	(5r)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one
+CCNc1c(cnc(n1)Nc2cc(c(cc2OC)C(=O)N3CCOCC3)F)C(F)(F)F	A0T	[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone
+[H]/N=C\N(CC(=O)N(C)Cc1ccccc1)NC(=O)OC(C)(C)C	A0U	~{tert}-butyl ~{n}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate
+B(Cn1cc(nn1)C(=O)O)(O)OP(=O)(O)O	A0V	1-{[hydroxy(phosphonooxy)boranyl]methyl}-1h-1,2,3-triazole-4-carboxylic acid
+C1CCC(CC1)N2C(=C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O)O	A0W	2-[[1,3-dicyclohexyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid
+B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)OP(=O)(O)O	A0Y	phosphonooxy-[[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid
+c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2I)I)I)I	A0Z	8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid
+CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)Cl	A11	ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N	A12	phosphomethylphosphonic acid adenosyl ester
+Cc1cc(nc(n1)N)C(F)(F)F	A13	4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
+CC1([C@@H]([C@@H]2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C	A14	(1s,4s,5s,7r)-7-{[(5s)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid
+c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O	A15	3'-3"-dichlorophenol-1,8-3h-benzo[de]isochromen-1-one
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3CC([C@H]([C@@H]([C@H]3O)O)O)CO	A16	4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranosyl)-beta-d-glucopyranose 
+Cc1ccccc1c2c3ccc(cc3cnn2)c4cc(ccc4C)C(=O)NC5CC5	A17	n-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
+c1ccc(c(c1)Cc2ccc(o2)C(=O)O)Cl	A18	5-(2-chlorobenzyl)-2-furoic acid
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)O)Br)Cl	A19	5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid
+CC(C)[C@@H](C(=O)N[N@](Cc1ccccc1)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	A1A	6-amino hexanoic acid
+[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O	A1B	1-deoxy-alpha-l-xylulofuranose-1,2-borate
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)Cl)C	A1C	1-(3-chloro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@@H]4CCCC5=C4C=CC(=O)N5	A1E	(5r)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1h)-one
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3F)C	A1F	1-(2-fluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+C1C2CC3CC1CC(C2)(C3)[C@@H](C(=O)O)N	A1G	(2s)-amino[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid
+c1cn(nn1)C2=CNN(C2=O)c3cc(ncn3)N4CCOCC4	A1H	2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{h}-pyrazol-3-one
+c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)C2CC=CC2	A1I	n-(cyclopent-3-ene-1-carbonyl)-l-histidine
+B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP(=O)(O)O	A1J	3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid
+CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)C(=O)N4CCOCC4)Cl	A1K	[4-[[5-chloranyl-4-(methylamino)-7~{h}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone
+[H]/N=C(\NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)C[N-][N+]#N)/NC(=O)NC	A1L	[2-[[(2s)-1-[bis(phenylmethyl)amino]-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide
+B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)OP(=O)(O)O	A1M	phosphonooxy-[[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid
+C[C@@H]1CN(C[C@@H](O1)C)c2cc(ncn2)c3c4cc(ccc4[nH]n3)OC5(CC5)C	A1N	(2~{r},6~{s})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{h}-indazol-3-yl]pyrimidin-4-yl]morpholine
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3)C	A1O	quinabactin
+c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@H](=O)O)O	A1P	9-{2-deoxy-5-o-[hydroxy(oxido)phosphino]-beta-l-erythro-pentofuranosyl}-9h-purin-2-amine
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O	A1Q	methyl l-glycero-alpha-d-manno-heptopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N	A1R	5'-o-[(s)-{[(s)-{[(2r,3r,4s)-3,4-dihydroxypyrrolidin-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
+CC(C)CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	A1S	isopentyl-coenzyme a
+CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6	A1T	5-pentyl-n-{[4'-(piperidin-1-ylcarbonyl)biphenyl-4-yl]methyl}-n-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-2-carboxamide
+Cc1cnc(c(n1)C)O	A1U	3,5-dimethylpyrazin-2-ol
+c1cc(nc(c1c2nc(cs2)C(=O)O)c3csc(n3)c4csc(n4)CN)c5nc(cs5)C(=O)O	A1V	2,2'-(6-(2'-(aminomethyl)-[2,4'-bithiazol]-4-yl)pyridine-2,5-diyl)bis(thiazole-4-carboxylic acid)
+CCOC(=O)[C@H](CC(=O)N(CC(C)C)N)O	A1X	ethyl (2s)-2-hydroxy-4-[1-(2-methylpropyl)hydrazino]-4-oxobutanoate
+Cc1cc(nc(c1C#N)N2CCOCC2)C	A1Y	4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
+c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O	A1Z	vadadustat
+C(CN)CS(=O)(=O)O	A20	3-aminopropane-1-sulfonic acid
+C[C@@H](c1ccccc1F)NC2=NC(=O)[C@@](S2)(C)C(F)(F)F	A21	(5s)-2-{[(1s)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O)N	A22	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N	A23	adenosine-5'-phosphate-2',3'-cyclic phosphate
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCN3CCOCC3	A24	(3-nitro-5-(2-morpholin-4-yl-ethylaminocarbonyl)phenyl)-galactopyranoside
+c1cc2c(cc1Cl)NC(=O)Nc3cncc(n3)OCCCCCO2	A25	18-chloro-11,12,13,14-tetrahydro-1h,10h-8,4-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecin-2-one
+C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/O	A26	(2z)-2-cyano-3-hydroxy-n-[4-(trifluoromethyl)phenyl]but-2-enamide
+CCCC(=O)Nc1c2cc(c(cc2[nH]n1)c3ccc(cc3)O)c4ccccc4	A27	n-[6-(4-hydroxyphenyl)-5-phenyl-1h-indazol-3-yl]butanamide
+CCCC(=O)Nc1c2cc(c(c(c2[nH]n1)F)F)c3ccccc3	A28	n-(6,7-difluoro-5-phenyl-1h-indazol-3-yl)butanamide
+c1cc(cc(c1)O)C(=O)C(=O)O	A29	2-(3-hydroxyphenyl)-2-oxo-ethanoic acid
+[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)CO)O)(O)O	A2B	l-xylulofuranose-1,2-borate
+[H]/N=C(\N)/c1cc(c(cc1)O)C=NCCN=Cc2c(ccc(c2)/C(=N\[H])/N)O	A2C	3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	A2D	bis{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@H]4CCCC5=C4C=CC(=O)N5	A2E	(5s)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1h)-one
+c1[nH]c2c(nc(nc2n1)F)N	A2F	2-fluoroadenine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O	A2G	2-acetamido-2-deoxy-alpha-d-galactopyranose
+[B-]12(c3c(ccc(c3[C@H](O1)CN)Cl)OCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-]	A2H	4-chloro-3-aminomethyl-7-[ethoxy]-3h-benzo[c][1,2]oxaborol-1-ol modified adenosine
+Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccccc3)C	A2I	2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-n-[3-(phenoxymethyl)phenyl]ethanamide
+c1ccc2c(c1)NC(=O)C(=N2)C(F)(F)F	A2J	3-(trifluoromethyl)quinoxalin-2(1h)-one
+C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]([C@@H]2C(=O)C5CC5)C=C)c6ccc(cc6)c7cccnc7	A2K	(8s,11r,13s,14s,16s,17s)-17-cyclopropylcarbonyl-16-ethenyl-13-methyl-11-(4-pyridin-3-ylphenyl)-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
+COCCO[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O	A2L	3'-o-methyoxyethyl-adenosine 5'-monophosphate
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	A2M	2'-o-methyladenosine 5'-(dihydrogen phosphate)
+CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1O)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	A2N	[(2r,3s,4r,5r)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccccc3	A2O	n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N	A2P	adenosine-2'-5'-diphosphate
+C1CC=CC(=O)C1	A2Q	cyclohex-2-en-1-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)N	A2R	[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)N(C)c3ccncc3)C4CCN(CC4)CCC(C)C	A2T	n-[1-(3-methylbutyl)piperidin-4-yl]-n-{4-[methyl(pyridin-4-yl)amino]benzyl}-4-pentylbenzamide
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3cc(c(c(c3)F)C)F	A2V	1-(3,5-difluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)Cn4ccnc4	A2W	3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole
+Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)Sc3ccccc3)C	A2X	2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-n-(4-phenylsulfanylphenyl)ethanamide
+c1cc(sc1)c2cc(no2)C[NH2+]C34CC5CC(C3)CC(C5)C4	A2Y	(3s,5s,7s)-n-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium
+CC1=CC(=O)N(c2c1ccc3c2OCO3)C	A2Z	6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)N2	A31	n-{15-oxo-19-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-n'-(8-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3	A32	(3-nitro-5-(3-morpholin-4-yl-propylaminocarbonyl)phenyl)-galactopyranoside
+C(C(=O)O)C(CC(=O)O)(C(=O)O)N	A33	2-(carboxymethyl)-d-aspartic acid
+CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	A34	n6-methyl deoxyadenosine 5'-monophosphate
+CNc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	A35	2-amino deoxyadenosine 5'-monophosphate
+CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F	A36	n-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide
+c1cc2c(cc1Cl)nc(o2)NS(=O)(=O)c3cc(ccc3Cl)Cl	A37	2,5-dichloro-n-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	A38	8-oxy deoxyadenosine-5'-monophosphate
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	A39	2'-o-methyl-adenosine 5'-monophosphate
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	A3A	2'deoxy-alpha-anomeric-adenosine-5'-phosphate
+C=C[C@H](C(=O)[O-])[NH3+]	A3B	d-vinylglycine
+C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC[N@@](C)CCO[P@](=O)(O)OP(=O)(O)O)(C)C	A3C	2-(methyl{2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate
+CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	A3D	3-acetylpyridine adenine dinucleotide
+CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(cc3)CN4CCOCC4	A3E	5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine
+COc1cc(cc(c1OC)OC)c2cc(cnc2N)c3cccc(c3)O	A3F	3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N	A3G	3'-deoxy-3'-(glycylamino)adenosine
+Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)Nc4ccn(n4)C	A3H	4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile
+CCc1cc2c([nH]1)c(c(c(n2)C(F)(F)F)C#N)N3CC[C@](C3)(C)O	A3J	2-ethyl-7-[(3s)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1h-pyrrolo[3,2-b]pyridine-6-carbonitrile
+Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)N	A3K	6-azanyl-4-(3-methylphenyl)-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile
+CC(C)[C@@H](C(=O)N1CCCC1)N	A3M	2-amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one
+C#CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	A3N	5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N	A3P	adenosine-3'-5'-diphosphate
+c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N	A3Q	4-(3-hydroxyphenyl)-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C[C@H](CN4)O)O)O)N	A3R	 adenosine diphosphate (hydroxymethyl)pyrrolidine monoalcohol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N	A3S	serine-3'-aminoadenosine
+C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O	A3T	3'-deoxy-3'-(l-threonylamino)adenosine
+c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCN)O	A3V	(1r)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
+c1c(c(cnc1N)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F	A3W	5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
+C/C(=N\NC(=S)N)/c1ccc(c(c1)OC)O	A3X	n-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone
+c1c(c(c(nc1N2CCN(CC2)CCO)N3CCC[C@@H](C3)CO)C#N)C(F)(F)F	A3Y	6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3s)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+CNc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	A40	n2-methyl 2'-deoxyadenosine 5'-monophosphate
+Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccccc2	A41	5-methyl-2-[(phenylsulfonyl)amino]benzoic acid
+COc1cc(c(cc1NC(=O)Nc2cnc(cn2)C#N)Cl)OC	A42	1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-yl)urea
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N	A43	3'-amino deoxyadenosine 5'-monophosphate
+COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	A44	2'-o-methyoxyethyl-adenosine 5'-monophosphate
+c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)O	A45	3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-benzoic acid
+c1cc(ccc1[C@H](CO)O)NC(=O)c2cc3cc(ccc3[nH]2)Cl	A46	5-chloro-n-{4-[(1r)-1,2-dihydroxyethyl]phenyl}-1h-indole-2-carboxamide
+CONc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	A47	n6-methoxy adenosine 5'-monophosphate
+B(c1c(cc(cc1C)C)C)(c2c(cc(cc2C)C)C)N(CC(F)(F)F)c3ccc(cc3)O	A48	4-[(dimesitylboryl)(2,2,2-trifluoroethyl)amino]phenol
+C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCN(CC3)CC4(CC4)C(=O)N)(C(F)(F)F)O	A49	n-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
+c1ccc2c(c1)cc3c4c2c5c(cc4C(=O)N3)OCO5	A4A	[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6h)-one
+COc1ccccc1c2ccc(cc2Cl)CN	A4B	[3-chloranyl-4-(2-methoxyphenyl)phenyl]methanamine
+CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C	A4C	9,9'-(hexane-1,6-diyldiimino)bis{n-[2-(dimethylamino)ethyl]acridine-4-carboxamide}
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CS)O)O)N	A4D	5'-thioadenosine
+C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(c(n4)CO)Cc5ccc(cc5)F)(C)C	A4E	1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[[(3~{r})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone
+c1cc(c(cc1N)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O	A4F	5-amino-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid
+Cc1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)CO	A4G	[(3r)-1-(5-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
+CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C2CC2)O)(C)C	A4H	(2~{z},4~{e})-3-cyclopropyl-5-[(1~{s})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid
+C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	A4I	(1r,2r,4s)-4-{(2r)-2-[(3s,6r,7e,9r,10r,12r,14s,15e,17e,19e,21s,23s,26r,27r,30s,34as)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3h-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
+C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@@H]([C@H](C3)O)O)C(F)(F)F)C#N)O	A4J	6-[(3s,4s)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3s)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+CC1=CC(=O)CC([C@]1(C#C/C(=C\C(=O)O)/C(F)(F)F)O)(C)C	A4K	(~{e})-3-(trifluoromethyl)-5-[(1~{s})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid
+CC(=O)N[C@H](CCCCNc1c2ccc(cc2[nH+]c3c1cc(cc3)OC)Cl)C(=O)N[C@H](CCCCN)C(=O)C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NN[C@@H](CCCCN)C=O	A4L	9-[(5-(acetylamino)-6-{[(1s,4r)-8-amino-4-[((2r)-6-amino-2-{2-[(1s)-5-amino-1-formylpentyl]hydrazino}hexanoyl)amino]-1-(4-aminobutyl)-2,3-dioxooctyl]amino}-6-oxohexyl)amino]-6-chloro-2-methoxyacridinium
+Cc1nc(c2c(n1)n(cn2)C3CN(C3)C(=O)c4cc(n(n4)C)CN5CCN(CC5)C6CCCCCC6)N	A4M	[3-(6-amino-2-methyl-9h-purin-9-yl)azetidin-1-yl]{5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-methyl-1h-pyrazol-3-yl}methanone
+Cc1ccccc1c2ccc(cc2Cl)CN	A4N	[3-chloranyl-4-(2-methylphenyl)phenyl]methanamine
+c1cc(c(cc1O)O)/C=N/NC(=S)N	A4O	n-(2,4-dihydroxybenzylidene)-thiosemicarbazone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OCC4=NC5=C(NC4)N=C(NC5=O)N)O)O)N	A4P	6-(adenosine tetraphosphate-methyl)-7,8-dihydropterin
+CCc1ccccc1c2ccc(cc2Cl)CN	A4Q	[3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine
+Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4cccs4)NC(=O)C5CCCC5)C(C)C	A4R	n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CCC=C(C)CNc1ccccc1	A4S	(2e,6e)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate
+c1ccc(c(c1)c2ccc(cc2Cl)CN)F	A4T	[3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine
+c1ccc(cc1)C[n+]2cnc(c3c2[nH]cn3)N	A4V	3-benzyladenine
+c1cc(c(c(c1)Cl)F)NC(=O)CCS	A4W	~{n}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide
+Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccsc4)NC(=O)C5CCC(CC5)(F)F)C(C)C	A4X	4,4-difluoro-n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide
+Cc1ncc2c(n1)N[C@]3(N(C2)[C@H]([C@H](S3)CCOP(=O)(O)OP(=O)(O)O)C)[C@](C)([C@@](C)(C(=O)O)O)O	A4Y	(2s,3s)-2,3-dihydroxy-3-[(7s,8r,9as)-8-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9ah-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid
+CCCCOc1ccc(cc1)CC(=O)NO	A4Z	2-(4-butoxyphenyl)-n-hydroxyacetamide
+CCCCCc1ccc(cc1CCc2ccccn2)c3ccc(cc3)S(=O)(=O)CCO	A50	2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol
+c1ccc(cc1)N\C=C\2/CCOC2=O	A51	(3e)-3-[(phenylamino)methylidene]dihydrofuran-2(3h)-one
+[B-]12(c3c(cccc3OCC)[C@H](O1)CN)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-]	A52	3-aminomethyl-7-(ethoxy)-3h-benzo[c][1,2]oxaborol-1-ol modified adenosine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)c4ccc5c(c4)/C(=C/c6ccc[nH]6)/C(=O)N5)N	A53	5-{5-[(s)-2-amino-3-(1h-indol-3-yl)-propoxyl]-pyridin-3-yl}-3-[1-(1h-pyrrol-2-yl)-meth-(z)-ylidene]-1,3-dihydro-indol-2-one
+c1ccc(cc1)[C@@H](CCN)Oc2cc(ccc2C#N)Cl	A54	2-[(1r)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile
+c1cc(c2c(c1F)C(=N[C@@H](N2)CCNC(=O)c3ccoc3)N)F	A55	n-[2-(4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl)ethyl]-3-furamide
+c1ccc2cc(c(cc2c1)c3nc(nc(n3)N)N)Br	A56	6-(3-bromo-2-naphthyl)-1,3,5-triazine-2,4-diamine
+Cc1cc([n+](c(c1)C(C)C)CCc2cnc[nH]2)C(C)C	A57	1-[2-(1h-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium
+CC1CCC(CC1)NCc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(cc5)C(=O)O	A58	4-(6-{[(4-methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid
+CCCCCc1ccc(cc1/C=C\c2ccccn2)c3ccc(cc3)S(=O)(=O)CCO	A59	2-({4'-pentyl-3'-[(z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol
+C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	A5A	'5'-o-(n-(l-alanyl)-sulfamoyl)adenosine
+COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F	A5B	alisertib 
+C([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O	A5C	alpha-l-talofuranose
+c1ccc(cc1)CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	A5D	(2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol
+c1cc(sc1)C2=NNC(=O)CC2	A5E	3-thiophen-2-yl-4,5-dihydro-1~{h}-pyridazin-6-one
+CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#C[C@@H]2C[C@H]2CO)N	A5F	n-[(2s)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1r,2r)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide
+CC1(CCN(CC1)c2nn3c(cnc3s2)c4ccc(cc4F)F)N	A5G	1-[(4s)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine
+c1cc(ccc1C2=CSC3=NCCN23)Cl	A5H	3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
+COc1cc(cc(c1O)OC)/C=N/NC(=S)N	A5I	n-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone
+c1c(c(nc(c1N(O)O)N)O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	A5J	(1r)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-d-erythro-pentitol
+c1c(cnc(c1Cl)N2CCCNCC2)C(F)(F)F	A5K	1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N	A5L	9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-9h-purin-6-amine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N	A5M	2'-amine-cytidine-5'-monophosphate
+[H]/N=C(\C[C@@H](C(=O)O)N)/OC(=O)O	A5N	o-carboxy-4-imino-l-homoserine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	A5O	adenine arabinose-5'-phosphate
+C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O	A5P	arabinose-5-phosphate
+c1cc(ccc1c2c(snn2)N)C(F)(F)F	A5Q	4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine
+C(CCC(=O)O)CC(=O)[C@H](CCCNC(=[NH2+])N)N	A5R	amino{[(4s)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium
+c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F	A5T	(1r,5s)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-n-cyclopropyl-n-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
+CC(C)(C)OC(=O)NC(C)(C)[C@@H](C(=O)OC)N	A5U	methyl (2s)-2-azanyl-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
+c1cc(cc(c1)OCC2CCCCC2)[C@H](CCN)O	A5V	(1s)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
+COc1ccccc1C2CCN(CC2)C(=O)C3CCC3	A5W	cyclobutyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)P(=O)O)CCOP(=O)(O)OP(=O)(O)O	A5X	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1s)-1-hydroxy-1-[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+c1ccc(cc1)N2C(=O)c3cn(nc3N=C2SCc4cccc(c4)F)C5COC5	A5Y	6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+Cc1c(c(no1)c2c(cccc2Cl)Cl)CO	A5Z	[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	A60	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5	A61	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate
+c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)O)Cl	A62	(3r)-4-(4-chlorophenyl)-1-[(3s,4r)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one
+COc1ccc(cc1)C2=CC(=O)c3ccccc3O2	A63	2-(4-methoxyphenyl)-4h-chromen-4-one
+CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2	A64	4'-isopropylflavone
+CSc1c(c(sn1)SC)CO	A65	[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol
+c1nc(c2c(n1)n(cn2)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O)N	A66	2-aminoethyllysine-carbonylmethylene-adenine
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)C	A68	n~2~-acetyl-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-l-isoleucinamide
+c1ccc(cc1)CCC[N@@](C[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)O)O)S(=O)(=O)c4ccc5c(c4)scn5	A69	n-{(2s,3r)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide
+c1nc(c2c(n1)n(cn2)[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)O)N	A6A	2-(6-amino-9h-purin-9-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)N2	A6B	(3s,5s,7s)-n-[6-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+C1[C@H]([C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)N2C=CC(=NC2=O)N	A6C	2-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol
+c1cc(cc(c1)[N+](=O)[O-])CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	A6D	(2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol
+c1cc(ccc1OCCC(=O)N2CCSCC2)F	A6E	3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one
+c1nc2c(n1[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)O)N=C(NC2=O)N	A6G	2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol
+c1cc(c(c(c1)Cl)Oc2ccc(cn2)N)Cl	A6H	6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine
+C[C@@H](C(=O)NCc1ccc(cc1)C(=O)NO)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	A6I	n-[(benzyloxy)carbonyl]-l-leucyl-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-l-alaninamide
+COc1c(c(c(c(c1F)F)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4c(c(c(c(c4F)F)OC)F)F)OS(=O)(=O)O)CO)O)F)F	A6J	(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-b-d-galactopyranosyl)-(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-2-o-sulfo-b-d-galactopyranosyl)-sulfide
+c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)N)Cl	A6K	(3r)-3-azanyl-4-(4-chlorophenyl)-1-[(3s,4r)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
+CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O	A6L	2,3-dihydroxypropyl (9z)-octadec-9-enoate
+c1cc(ccc1C[C@H](CC(=O)N2C[C@H]([C@@H](C2)c3ccc(cc3)Cl)CO)N)Cl	A6M	(3r)-3-amino-4-(4-chlorophenyl)-1-[(3r,4s)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
+c1ccc(cc1)n2cc(nn2)COc3ccc(cc3)S(N)(O)O	A6N	4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole
+CC[C@]1([C@H](CCC1=O)O)C/C=C/2\CCCc3c2ccc(c3)OC	A6O	(2r,3s)-2-ethyl-2-[(2e)-2-(6-methoxy-3,4-dihydro-2h-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one
+C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O	A6P	6-o-phosphono-alpha-d-allopyranose
+CCNC(=S)N/N=C/c1ccc(c(c1)O)O	A6Q	n-(3,4-dihydroxybenzylidene)-thiosemicarbazone
+CC1=N[Pt]2N=C(O[As]2(O1)(O)O)C	A6R	arsenoplatin-1
+COc1cccc(c1)c2cc(ccn2)n3cc(c4c3cc(cc4)F)CNCC5CCCCC5	A6S	1-cyclohexyl-n-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1h-indol-3-yl}methyl)methanamine
+c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@H]4CNC[C@@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F	A6T	(1s,5r)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-n-cyclopropyl-n-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
+C1[C@H]([C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)N2C=CC(=O)NC2=O	A6U	1,5-anhydro-2-deoxy-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-altritol
+CC1=C(C(CCC1)(C)C)COc2cccc(c2)[C@@H](CCN)O	A6V	(1r)-3-amino-1-{3-[(2,6,6-trimethylcyclohex-1-en-1-yl)methoxy]phenyl}propan-1-ol
+COC(=O)c1c(cc(s1)c2cccs2)N	A6W	methyl 3-azanyl-5-thiophen-2-yl-thiophene-2-carboxylate
+Cc1ccc(c(c1)Cn2c3ccccc3nc2[C@H](c4ccncc4)O)C	A6Y	(s)-{1-[(2,5-dimethylphenyl)methyl]-1h-benzimidazol-2-yl}(pyridin-4-yl)methanol
+c1cc(cc(c1)Cl)N2CC[NH+](CC2)CC#N	A6Z	2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile
+CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C[C@@H](C(C)C)C(=O)NCCCC)O)N2CCN([C@@H](C2=O)Cc3ccccc3)C(=O)N4CCN(CC4)C	A70	n-ethyl-n-[(4-methylpiperazin-1-yl)carbonyl]-d-phenylalanyl-n-[(1s,2s,4r)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hyd roxy-5-methylhexyl]-l-norleucinamide
+C(CCC[NH2][Pt]([NH3])([NH3])[NH3])CCN	A71	(6-aminohexylamine)(triammine) platinum(ii) complex
+CCCCCC[NH2][Pt]([NH3])([NH3])[NH2]CCCCCC	A72	trans-bis(hexylamine)-(diammine) platinum(ii) complex
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Br	A73	2-(4-bromophenyl)-4h-chromen-4-one
+COc1ccc(cn1)c2cc(cc3c2oc(n3)NS(=O)(=O)c4cc(ccc4Cl)Cl)OC	A74	2,5-dichloro-n-[5-methoxy-7-(6-methoxypyridin-3-yl)-1,3-benzoxazol-2-yl]benzenesulfonamide
+c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3	A75	2-[(phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4	A76	n-{1-benzyl-(2r,3r)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4	A77	n-{1-benzyl-(2r,3s)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3cccc[nH+]3)O)NC(=O)N(C)Cc4cccc[nH+]4	A78	n-{1-benzyl-3-hydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4	A79	n-{1-benzyl-(2s,3s)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+Cc1ccc(c(c1)Cn2c3cc(ccc3nc2[C@@H](c4ccncc4)O)c5cnn(c5)C)C	A7A	(r)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1h-pyrazol-4-yl)-1h-benzimidazol-2-yl}(pyridin-4-yl)methanol
+CC1=CC(=O)Nc2c1cccc2OC	A7B	8-methoxy-4-methylquinolin-2(1h)-one
+c1cc(ccc1n2cc(nn2)c3c4c(ncnc4n(n3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(O)(O)O)O)O)N)Br	A7C	3-[1-(4-bromophenyl)-1h-1,2,3-triazol-4-yl]-1-[5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-ribofuranosyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@H](CO)O)O)O)N	A7D	5'-s-[(3r)-3,4-dihydroxybutyl]-5'-thioadenosine
+C#Cc1c2c(ncnc2n(n1)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	A7E	3-ethynyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1nc2ccc(cc2n1Cc3ccccc3OC(F)F)c4ccc(nc4)N5CCNCC5	A7G	1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1h-benzimidazole
+CCOc1ccc2c(c1)sc(n2)C	A7H	6-ethoxy-2-methyl-1,3-benzothiazole
+CC(C)N1CCC(CC1)NS(=O)(=O)CCNC(=O)c2ccc(s2)Cl	A7I	5-chloro-thiophene-2-carboxylic acid [2-(1--isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide
+c1ccc(c(c1)C[NH3+])N2CCC(CC2)CO	A7K	[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylazanium
+CCNC(=S)N/N=C/c1cc(ccc1O)O	A7L	n-(2,5-dihydroxybenzylidene)-thiosemicarbazone
+Cc1ccc(c(c1)Cn2c3ccccc3nc2CO)C	A7M	{1-[(2,5-dimethylphenyl)methyl]-1h-benzimidazol-2-yl}methanol
+CCOc1ccc(cc1)[C@@H](C)N	A7N	(1~{r})-1-(4-ethoxyphenyl)ethanamine
+COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O	A7O	(3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2s)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone
+c1ccc(cc1)Oc2ccc(cn2)CO	A7Q	(6-phenoxypyridin-3-yl)methanol
+c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]3[C@H]([C@H]([C@H](O3)N4C=CC(=NC4=O)N)O)O)O)O)C(=O)N	A7R	[[(2s,3s,4r,5s)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4r,5s)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)F)C	A7S	1-(3-fluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+Cc1cccc(c1C)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)OCCOc6c(cc(cc6Cl)C)Cl	A7T	(1r,5s)-n-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-n-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
+c1cc2cc(cnc2c(c1)N)O	A7W	8-amino-3-quinolinol
+CN([C@@H]1CCN(C1)Cc2ccc(cc2)Cl)C(=O)c3cc(nc4c3cccc4)c5cccc(c5)OC	A7Y	n-{(3r)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-n-methylquinoline-4-carboxamide
+COc1cccc(c1)c2c(n(cn2)CC#C)c3ccc(cc3)OS(=O)(=O)F	A7Z	4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1h-imidazol-5-yl]phenyl sulfurofluoridate
+CC1(CCC(c2c1ccc(c2)NC(=O)c3ccc(cc3)C(=O)O)(C)C)C	A80	4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid
+C1=C(C=NC2=C(C(=O)NN21)Br)c3c(c(n[nH]3)C4=CN5C(=C(C(=O)N5)Br)N=C4)[N+](=O)[O-]	A81	6,6'-(4-nitro-1h-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1h)-one)
+CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3C(=O)O)N4CCOCC4	A82	2-[[(1r)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)n2cc(nn2)CNC(=O)c3ccc(cc3)CNC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC	A83	tert-butyl 4-[({[1-((1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1h-1,2,3-triazol-4-yl]methyl}amino)carbonyl]benzylcarbamate
+CN(C)C\C=C/c1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)F	A84	2-[({2-[(1z)-3-(dimethylamino)prop-1-enyl]-4-fluorophenyl}sulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(C([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)(F)F)(O)O)NC(=O)N(C)Cc4ccccn4	A85	n-{1-benzyl-2,2-difluoro-3,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O	A86	(3s,3's,5r,5'r,6s,6'r,8'r)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate
+CCCCN(CCc1c[nH]c2c1ccc(c2)O)CCC3CCCCCC3	A87	3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{h}-indol-6-ol
+COc1cc(ccc1O)CN2[C@@H]([C@@H](C[N@](N(C2=O)Cc3ccc(c(c3)OC)O)Cc4ccccc4)O)Cc5ccccc5	A88	(5r,6r)-2,4-bis-(4-hydroxy-3-methoxybenzyl)-1,5-dibenzyl-3-oxo-6-hydroxy-1,2,4-triazacycloheptane
+Cc1cc(ccc1Br)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c3cccc(c3)I)C(=O)N	A89	n-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithinamide
+c1ccc2c(c1)c(ccn2)NCCCCCCCCNc3c4ccccc4nc5c3CCCC5	A8B	n-quinolin-4-yl-n'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
+CSCCC(=O)O	A8C	3-(methylsulfanyl)propanoic acid
+COc1ccc2c(c1)cc([nH]2)C(=O)NS(=O)(=O)C	A8D	5-methoxy-n-(methylsulfonyl)-1h-indole-2-carboxamide
+C=C(C[C@@H](C(=O)O)N)Br	A8E	(2s)-2-amino-4-bromopent-4-enoic acid
+Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCCCC3	A8F	1-[1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one
+C1CO[C@@H]1C(=O)O	A8G	(2s)-oxetane-2-carboxylic acid
+c1ccc(cc1)[C@H]2CC[C@H]3[C@@H](C2)C(=O)NC3=O	A8H	(3~{a}~{r},5~{s},7~{a}~{s})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione
+c1cc(ccc1O)Sc2ccc(cc2)O	A8K	4-(4-hydroxyphenyl)sulfanylphenol
+Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCC(CC3)O	A8L	1-[1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCCN)O)O)N	A8M	5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine
+c1ccc2c(c1)c(c3c([nH+]2)CCCC3)NCCCCCCCC[NH3+]	A8N	n-9-(1',2',3',4'-tetrahydroacridinyl)-1,8-diaminooctane
+Cc1cc(c(n1c2ccc(cc2)C#N)C)C(=O)CN3CCC(CC3)O	A8O	4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1h-pyrrol-1-yl}benzonitrile
+CCCCCCCCNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C[NH2+]4)O)O)O)O)N	A8P	8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediol
+CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+]	A8Q	[3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium
+CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C	A8S	(2z,4e)-5-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
+CC(C)(c1ccc(nc1)N2CCN(CC2)c3c4ccccc4c(nn3)Cc5ccccc5)O	A8T	2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol
+CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(CC5)N	A8U	propyl (2~{r})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate
+c1cc(cc(c1)OCC2CCCCC2)[C@H](CCO)O	A8V	(1s)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C	A8W	pregnenolone sulfate
+c1ccc2c(c1)c3c(n2CCC(=O)O)CC[C@H](C3)NS(=O)(=O)c4ccc(cc4)F	A8X	3-[(3r)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
+C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O	A8Z	tetrahydrodeoxycorticosterone
+c1cc(ccc1CCNS(=O)(=O)c2ccc(cc2)Cl)CC(=O)O	A90	2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid
+Cc1cc(nc(n1)N)C#Cc2ccccc2CNN3C=COC3=O	A91	3-({2-[(2-amino-6-methylpyrimidin-4-yl)ethynyl]benzyl}amino)-1,3-oxazol-2(3h)-one
+c1cc(c2c(c1)nc([nH]2)c3ccc(cc3F)[C@@H]4CCCCN4)C(=O)N	A92	2-{2-fluoro-4-[(2s)-piperidin-2-yl]phenyl}-1h-benzimidazole-7-carboxamide
+Cc1cc(cc(c1O)C)\C=C\c2cccc(c2)C(=O)Oc3ccc(cc3)F	A93	4-fluorophenyl 3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate
+Cc1cc(nc(n1)N)CNS(=O)(=O)c2cccc(c2)N\C=C\3/CCOC3=O	A94	n-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-{[(e)-(2-oxodihydrofuran-3(2h)-ylidene)methyl]amino}benzenesulfonamide
+COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3)NC(=O)c4ccco4	A95	n-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)furan-2-carboxamide
+c1cc(cc(c1)Nc2c3ccc(c(c3on2)C(=O)Nc4cncnc4)Cl)C(F)(F)F	A96	6-chloro-n-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide
+CCCC1=C(C(=O)NC(=C1)C)CNC(=O)c2cc(cc3c2cnn3C(C)C)c4ccnc(c4)N5CCN(CC5)C	A97	n-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-(propan-2-yl)-1h-indazole-4-carboxamide
+CCSc1nnc(s1)NC(=O)OC	A98	methyl ~{n}-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate
+C[C@@H](c1ccccc1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	A99	5'-o-[(s)-hydroxy{[(r)-hydroxy({(s)-hydroxy[(1s)-1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl]adenosine
+c1cc(ccc1c2ccc(o2)C(=O)NN)Cl	A9B	5-(4-chlorophenyl)furan-2-carbohydrazide
+CC(C)(C)/C=C(\C#N)/C(=O)N[C@@H]1CCC[C@@H]1OCc2cccc(c2)CNC(=O)c3ccc(cc3)CN4CCN(CC4)C	A9C	n-{[3-({[(1s,2r)-2-{[(2e)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)O)C(=O)OC[C@@H](C(=O)O)N	A9D	(2s)-2-amino-2-carboxyethyl 1-carboxy-l-prolyl-l-prolinate
+CCc1ccc(cc1)OCC(=O)N2CCCCC2	A9E	2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone
+CC(C)(C)/C=C(\C#N)/C(=O)N[C@H]1CCC[C@H]1OCc2cccc(c2)CNC(=O)c3ccc(cc3)CN4CCN(CC4)C	A9F	n-{[3-({[(1r,2s)-2-{[(2e)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+CC[C@H](C)n1cc(c2c1cc(cc2C(=O)NCC3=C(C=C(NC3=O)C)C)c4ccc(nc4)N5CCNCC5)C	A9G	1-[(2s)-butan-2-yl]-n-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1h-indole-4-carboxamide
+CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C	A9H	abietic acid
+FP(F)(F)(F)(F)F	A9J	hexafluorophosphate anion
+c1ccc(c(c1)c2ccc(cc2Cl)CN)O	A9K	2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol
+CCOc1cc(ccc1OC)[C@@H](CS(=O)(=O)C)N2C(=O)c3cccc(c3C2=O)NC(=O)C	A9L	n-{2-[(1s)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}acetamide
+CCCCCCCCCCCCCCCCCCCC(=O)NCCO	A9M	n-(2-hydroxyethyl)icosanamide
+Cc1ccc(cc1S(=O)(=O)NC2C=C2)c3c(noc3C)C	A9N	n-cycloprop-2-en-1-yl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-benzenesulfonamide
+CCc1c(c(no1)C)c2ccccc2	A9O	5-ethyl-3-methyl-4-phenyl-1,2-oxazole
+Cc1c(c(on1)C)c2ccccc2	A9P	3,5 dimethyl-4-phenyl-1,2-oxazole
+COc1ccc(c(c1)CN2Cc3cc(c(cc3NC2=O)OS(=O)(=O)N)OC)OC	A9Q	3-(2,5-dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1h)-one
+Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4ccccn4	A9R	7-methoxy-6-(1-methyl-1h-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine
+CC1=CC(=O)CC([C@@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C	A9S	(2z,4e)-5-[(1r)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
+c1cc(ccc1CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5ccc(cc5n4)C(=O)N)Cl	A9T	2-(4-{[1-(4-chlorobenzyl)piperidin-4-yl]methoxy}phenyl)-1h-benzimidazole-5-carboxamide
+c1ccc(cc1)CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5cc(ccc5n4)C(=O)N	A9U	2-{4-[(1-benzylpiperidin-4-yl)methoxy]phenyl}-1h-benzimidazole-6-carboxamide
+c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCO)O	A9V	(1r)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol
+Cc1ccc(c(c1)c2ccc(cc2Cl)C[NH3+])O	A9W	[3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium
+Cc1c(c(n(n1)c2[nH]c3ccccc3n2)O)[C@H]4c5ccccc5C(=O)O4	A9Y	(3r)-3-[1-(1h-benzimidazol-2-yl)-5-hydroxy-3-methyl-1h-pyrazol-4-yl]-2-benzofuran-1(3h)-one
+CCc1cn(nn1)[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4N)COP(=O)(O)O)O	A9Z	2'-deoxy-2'-(4-ethyl-1h-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)c(c3ccccc3[nH+]2)N	AA	9-aminoacridine
+Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccnc(c5)N6CCOCC6	AA0	n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide
+CCOC(=O)CCC(=O)N(CC(=O)O)N	AA1	[1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid
+CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCOCC4)Cl)N	AA2	4-aryl-2-phenylamino pyrimidine
+CCC(C(=O)O)N	AA3	2-aminobutyric acid
+C(C[C@@H](C(=O)O)N)CO	AA4	2-amino-5-hydroxypentanoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCSC)C(=O)O)O	AA5	n-[(3-hydroxy-2-methyl-5-{[(trihydroxyphosphoranyl)oxy]methyl}pyridin-4-yl)methylene]methionine
+CN[C@@H](Cc1cc(c(cc1NCO)O)O)C(=O)O	AA6	3-[4,5-dihydroxy-2-2-(2-hydroxyethylamino)-phenyl]-2-methylamino-propionic acid
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCNc4c5ccccc5nc6c4CCCC6	AA7	n,n'-di-1,2,3,4-tetrahydroacridin-9-ylheptane-1,7-diamine
+C[C@H](C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C(/C)\C=C\[C@@H](CCCC(=O)O)O	AA8	anguinomycin a, bound form
+CCNc1cc(cc(c1)N(c2ccccc2)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O	AA9	n-((1s,2r)-3-(((1s)-2-(cyclohexylamino)-1--methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide
+Cc1ccc(c(c1)N[C@@H](c2c(cccc2Br)Br)C(=O)N)C(=O)C	AAA	(2-acetyl-5-methylanilino)(2,6-dibromophenyl)acetamide
+C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O	AAB	2'-deoxy-ribofuranose-5'-monophosphate
+CC(=O)NCC(=O)O	AAC	acetylamino-acetic acid
+C[S@@+](CCON)C[C@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	AAD	(2-aminooxy-ethyl)-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-methyl-sulfonium
+CC(=O)CC(=O)O	AAE	acetoacetic acid
+COC(=O)c1ccc(cc1)NC(=O)NC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN	AAF	methyl 4-{[({[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O	AAG	n-alpha-l-acetyl-arginine
+c1cc(ccc1C[N@@](CCCCC(=O)O)CP(=O)(O)O)[N+](=O)[O-]	AAH	1-[n-4'-nitrobenzyl-n-4'-carboxybutylamino]methylphosphonic acid
+CCCN1CCC(CC1)c2[nH]c3c(cccc3n2)C(=O)N	AAI	trans-4-(7-carbamoyl-1h-benzimidazol-2-yl)-1-propylpiperidinium
+CCC(=O)N1CCN(c2c1cccc2)C(=O)OC(C)(C)C	AAK	~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
+C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O	AAL	3,6-anhydro-alpha-l-galactopyranose
+c1nc(c2c(n1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	AAM	alpha-adenosine monophosphate
+c1cc(ccc1CC(=O)O)[N+](=O)[O-]	AAN	2-(4-nitrophenyl)acetic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO	AAO	acarbose derived hexasaccharide
+Cc1ccc(c(c1)N[C@@H](c2c(cccc2Cl)Cl)C(=O)N)C(=O)C	AAP	alpha-(2,6-dichlorophenyl)-alpha-(2-acetyl-5-methylanilino)acetamide
+CNc1[nH]c2cc3c(c(c2n1)CCNCc4ccccc4)N=C(NC3=O)N	AAQ	6-amino-4-[2-(benzylamino)ethyl]-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C(C[C@@H](C(=O)N)N)CNC(=[NH2+])N	AAR	arginineamide
+CC(=O)O[Hg]c1cc(ccc1N)S(=O)(=O)N	AAS	3-actoxymercuri-4-aminobenzenesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC(=CCN)CCCCCN)O)O)N	AAT	s-adenosyl-1,8-diamino-3-thiooctane
+COc1cc(ccc1O)CN2[C@@H]([C@@H](CN(N(C2=O)Cc3ccc(c(c3)OC)O)C(=O)CCc4ccc(cc4)O)O)Cc5ccccc5	AAU	(5r,6r)-5-benzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1-[3-(4-hydroxyphenyl)propanoyl]-1,2,4-triazepan-3-one
+Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)Nc5ccon5	AAV	n-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide
+COc1ccc(cc1Nc2ncc(o2)c3cccc(c3)c4cccnc4)S(=O)(=O)NCC5CC5	AAX	n-(cyclopropylmethyl)-4-(methyloxy)-3-({5-[3-(3-pyridinyl)phenyl]-1,3-oxazol-2-yl}amino)benzenesulfonamide
+CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H]3C[C@H](CC(=O)N3Cc4ccc5c(c4)ccc(c5CO)OC)O)C	AAY	8-[2-((2s)-4-hydroxy-1-{[5-(hydroxymethyl)-6-methoxy-2-naphthyl]methyl}-6-oxopiperidin-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate
+CCS(=O)(=O)c1ccc(c(c1)Nc2ncc(o2)c3cccc(c3)c4ccccn4)OC	AAZ	n-[5-(ethylsulfonyl)-2-methoxyphenyl]-5-[3-(2-pyridinyl)phenyl]-1,3-oxazol-2-amine
+COCO[C@H]1C[C@@H]2[C@H]([C@@H]([C@@H]3[C@@H](O2)CC=CCO3)O)O[C@@H]1CC(=O)O	AB0	3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-o-(methoxymethyl)-l-arabino-l-allo-tetradec-12-enonic acid
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C	AB1	n-{1-benzyl-4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-5-phenyl-pentyl}-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)n2cc(nn2)COC(=O)N[C@@H]3c4ccccc4C[C@H]3O)O)S(=O)(=O)c5ccc(cc5)OC	AB2	[1-((1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1h-1,2,3-triazol-4-yl]methyl (1r,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-ylcarbamate
+CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N	AB3	3-(4-amino-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)phenol
+c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cc(ccc4Cl)Cl)O	AB4	2,5-dichloro-n-[4-hydroxy-3-(2-hydroxy-1-naphthyl)phenyl]benzenesulfonamide
+[B-](CCCC[C@@H](C(=O)O)[NH3+])(O)(O)O	AB5	2(s)-amino-6-boronohexanoic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@@H](CCN)O)OCCNCCCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)N	AB6	(2r)-4-amino-n-((1r,2s,3r,4r,5s)-5-amino-4-[(2-amino-2-deoxy-alpha-d-glucopyranosyl)oxy]-2-{2-[(3-aminopropyl)amino]ethoxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide
+CC[C@@H](C(=O)O)N	AB7	alpha-aminobutyric acid
+CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@@H](N(C(=O)O3)Cc4ccc(c(c4)OC)O)CC(=O)NC)C	AB8	(1s,3r,8as)-8-(2-{(4s,6s)-3-(4-hydroxy-3-methoxybenzyl)-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl}ethyl)-3 ,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2r)-2-methylbutanoate
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@@H](CCN)O)OCCNCCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)N	AB9	(2r)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide
+CC[C@@H](C(=O)O)N	ABA	alpha-aminobutyric acid
+CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)O	ABB	(2s,4r)-1-acetyl-n-[(1s)-4-[(aminoiminomethyl)amino]-1-(2-benzothiazolylcarbonyl)butyl]-4-hydroxy-2-pyrrolidinecarboxamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)C)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)O)O)O)O)CO	ABC	modified acarbose hexasaccharide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O	ABD	acarbose derived hexasaccharide
+C[C@@H]1[C@@H](C[C@H]([C@H](O1)O)O)O	ABE	alpha-d-abequopyranose
+C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O	ABF	5-o-phosphono-beta-d-arabinofuranose
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N	ABG	adenosine 5'-[beta,gamma-methylene]triphosphate
+[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O	ABH	2(s)-amino-6-boronohexanoic acid
+c1cc2c(cc1C(=[NH2+])N)[nH]cn2	ABI	5-amidino-benzimidazole
+CC(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N	ABJ	3-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]phenol
+C([C@@H](C(=O)C(=O)O)N)C(F)F	ABK	3-amino-5,5-di-fluoro-2-keto-pentan-1-oic acid
+C([C@@H]1[C@H]([C@@H]([C@H](C(=O)N1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	ABL	(2r,3r,4r,5r)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-d-glucopyranoside
+C[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	ABM	methyl phosphonic acid adenosine ester
+c1ccc(cc1)CN	ABN	benzylamine
+COc1cc(ccc1O)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4	ABO	4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-2-methoxyphenol
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N	ABP	8-bromoadenosine-5'-diphosphate
+CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)N[C@@H]4COC[C@@H]4c5ccc(cc5)F	ABQ	[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[(3s,4r)-4-(4-fluorophenyl)tetrahydrofuran-3-yl]amino}pyrazin-2-yl)methanone
+c1ccc(cc1)[C@H](CNc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O	ABR	(r)-(n-phenyl-2-hydroxy-ethyl)-2'-deoxy-adenosine-5'-monophosphate
+c1ccc(cc1)[C@@H](CNc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O	ABS	(s)-(n-phenyl-2-hydroxy-ethyl)-2'-deoxy-adenosine-5'-monophosphate
+B=P(O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])O[P@](=O)(O)OP(=O)(O)O	ABT	3'-azido-3'-deoxy-thymidine-5'-alpha borano triphosphate
+C(CC(=O)O)CN	ABU	gamma-amino-butanoic acid
+c1ccc2c(c1)nc(s2)N	ABV	1,3-benzothiazol-2-amine
+CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](O1)C(=O)O)C(=O)OC)NC(=O)C	ABW	5-[1-(acetylamino)-3-methylbutyl]-2,5-anhydro-3,4-dideoxy-4-(methoxycarbonyl)pentonic acid
+CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)O)C(=O)OC)NC(=O)C	ABX	5-[1-(acetylamino)-3-methylbutyl]-4-(methoxycarbonyl)proline
+COc1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CCCN	ABY	n-(4-aminobutanoyl)-s-(4-methoxybenzyl)-l-cysteinylglycine
+c1cc(ccc1C#N)Nc2nc(nc(n2)N)Cc3c4cc[nH]c4ccc3Cl	ABZ	4-[4-amino-6-(5-chloro-1h-indol-4-ylmethyl)-[1,3,5]triazin-2-ylamino]-benzonitrile
+CC(=O)c1ccccc1	AC0	1-phenylethanone
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO	AC1	4,6-dideoxy-4-{[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-glucopyranose
+c1nc2c(n1COCCO)N=C(NC2=O)N	AC2	9-hyroxyethoxymethylguanine
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N	AC4	aminoimidazole 4-carboxamide ribonucleotide
+C1CCC(C1)(C(=O)O)N	AC5	1-aminocyclopentanecarboxylic acid
+CC(=O)c1ccc(cc1)O	AC6	p-hydroxyacetophenone
+COc1c(cc(cc1C(=O)OC)C(=CCCCC(=O)OC)c2cc(c(c(c2)C(=O)OC)OC)C#N)C#N	AC7	dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate)
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	AC8	[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-bis(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate
+CC1=CC(=O[Cr]23(O1)(OC(=CC(=O2)C)C)OC(=CC(=O3)C)C)C	AC9	trisacetylacetonatochromium(iii)
+C(CCC(=O)O)CCN	ACA	6-aminohexanoic acid
+C[C@@H]([C@H](C(=O)O)N)C(=O)O	ACB	3-methyl-beta-d-aspartic acid
+CSC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)[NH3+]	ACC	n-[n-[2-amino-6-oxo-hexanoic acid-6-yl]cysteinyl]-s-methylcysteine
+CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O	ACD	arachidonic acid
+CC=O	ACE	acetyl group
+c1cc(c(cc1C(=O)O)OC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN)Cl	ACF	3-{[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-4-chlorobenzoic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C)O)O)O)CO	ACG	modified acarbose pentasaccharide
+CC(=O)OCC[N+](C)(C)C	ACH	acetylcholine
+C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO	ACI	6-amino-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol
+c1cc(c(cc1C(F)(F)F)Cl)Oc2ccc(c(c2)C(=O)O)[N+](=O)[O-]	ACJ	5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N	ACK	2',3'- cyclic amp
+C(C[C@@H](C(=O)CCl)N)CNC(=N)N	ACL	deoxy-chloromethyl-arginine
+CC(=O)N	ACM	acetamide
+CC(=O)C	ACN	acetone
+CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	ACO	acetyl coenzyme *a
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N	ACP	phosphomethylphosphonic acid adenylate ester
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N	ACQ	diphosphomethylphosphonic acid adenylate ester
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO	ACR	alpha-acarbose
+C[S@](=O)C[C@H](C(=O)O)N1[C@@H]([C@@H](C1=O)NC(=O)CCC[C@@H](C(=O)O)N)S	ACS	1-[(1s)-carboxy-2-(methylsulfinyl)ethyl]-(3r)-[(5s)-5-amino-5-carboxypentanamido]-(4r)-sulfanylazetidin-2-one
+CC(=O)[O-]	ACT	acetate ion
+CC=O	ACU	acetaldehyde
+CC(C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	ACV	l-d-(a-aminoadipoyl)-l-cysteinyl-d-valine
+CC1(CC1)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	ACW	d-(l-a-aminoadipoyl)-l-cysteinyl-b-methyl-d-cyclopropylglycine
+C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O	ACX	alpha-cyclodextrin (cyclohexa-amylose)
+CC(=O)O	ACY	acetic acid
+C1=CC(C=CC1CC[C@@H](C(=O)O)N)N	ACZ	cis-amiclenomycin
+CN1C[C@H](C2=CC(=O)C(=O)C=C21)O	AD1	(3s)-3-hydroxy-1-methyl-2,3-dihydro-1h-indole-5,6-dione
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N	AD2	2'-deoxy-adenosine-3'-5'-diphosphate
+c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	AD3	3-deaza-adenosine
+CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)([C@](C(=O)O3)(C)O)O	AD4	(3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl 12-[(tert-butoxycarbonyl)amino]dodecanoate
+c1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)nc[nH]3)N5CCOCC5	AD5	n~6~-cyclohexyl-n~2~-(4-morpholin-4-ylphenyl)-9h-purine-2,6-diamine
+CNC(=O)c1ccc(cc1)Nc2ncc(s2)Br	AD6	4-[(5-bromo-1,3-thiazol-2-yl)amino]-n-methylbenzamide
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)O	AD7	octyl 3-amino-3-deoxy-2-o-(2,6-dideoxy-alpha-l-lyxo-hexopyranosyl)-beta-d-galactopyranoside
+c1cn(cn1)CC(=O)C23CC4CC(C2)CC(C4)C3	AD8	1-(adamantan-1-yl)-2-(1h-imidazol-1-yl)ethanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)O)O)O)N	AD9	adp metavanadate
+[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O	ADA	alpha-d-galactopyranuronic acid
+c1cc(c(c(c1)Cl)Oc2nc(nc(n2)Nc3ccc(cc3)C#N)N)Cl	ADB	4-[4-amino-6-(2,6-dichloro-phenoxy)-[1,3,5]triazin-2-ylamino]-benzonitrile
+c1nc(c2c(n1)n(cn2)[C@@H]3C=CC([C@H]3O)O)N	ADC	(1'r,2's)-9-(2-hydroxy-3'-keto-cyclopenten-1-yl)adenine
+CC(CC[C@@H]([C@H](C)C(=O)O)N)C[C@H](C)[C@H](Cc1ccccc1)OC	ADD	2,6,8-trimethyl-3-amino-9-benzyl-9-methoxynonanoic acid
+c1[nH]c2c(n1)c(ncn2)N	ADE	adenine
+CC(C)(C)c1cc(ccc1OC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN)C(=O)O	ADF	4-{[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O	ADG	o-3-amino-3-deoxy-alpha-d-glucopyranose
+C1[C@@H]([C@H]([C@H](C=C1CO)N)O)O	ADH	1-amino-2,3-dihydroxy-5-hydroxymethyl cyclohex-5-ene
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N	ADI	2',3'-dideoxyadenosine-5'-diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(C4=CCCN(C4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O)O)O)N	ADJ	nicotinamide-adenine-dinucleotide-adenylate intermediate
+Cn1cnc(c-2ncnc12)N	ADK	3-methyl-3h-purin-6-ylamine
+c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2	ADL	(1,8-dihydroxy-9-oxo-9,10-dihydro-anthracen-2-yl)-acetic acid
+C1C2CC3CC1CC(C2)C3	ADM	adamantane
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	ADN	adenosine
+C1C2CC3CC1CC(C2)C3=O	ADO	adamantanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N	ADP	adenosine-5'-diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N	ADQ	adenosine-5'-diphosphate-glucose
+C1[C@H](CO[C@@H]([C@H]1O)CN)N	ADR	2,6-diamino-2,3,6-trideoxy-alpha-d-ribo-hexopyranosyl
+c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COP(=O)(S)S)O)O)N	ADS	adenosine-5'-(dithio)phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)C	ADT	3'-deoxy-3'-acetamido-thymidine
+CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)CO	ADU	3'-deoxy-3'-acetamido-uridine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)O)N	ADV	alpha-beta methylene adp-ribose
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[W@@](=O)(O)O[W](=O)(O)O)O)O)N	ADW	adenosine-5'-ditungstate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N	ADX	adenosine-5'-phosphosulfate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)[C@H](O3)CO)O)N	ADY	3'-oxo-adenosine
+Cn1cnc2c1ncnc2N	ADZ	9-methyl-9h-purin-6-amine
+CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)CC(=O)OCC)C(C)C	AE0	ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate
+CC(C)C[C@H](C[P@@](=O)([C@H](CC(=O)O)N)O)C(=O)O	AE1	2-{[[(1s)-1-amino-2-carboxyethyl](dihydroxy)phosphoranyl]methyl}-4-methylpentanoic acid
+C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O	AE2	aetiocholanolone
+CCOCCOCCO	AE3	2-(2-ethoxyethoxy)ethanol
+CCOCCOCCOCCOCCOCCO	AE4	3,6,9,12,15-pentaoxaheptadecan-1-ol
+C(CC(=O)O)[C@@H](C(=O)O)NC[C@@H](C(=O)O)N	AE5	n-[(2s)-2-amino-2-carboxyethyl]-l-glutamic acid
+Cc1c2ccccc2oc1C3CN(C3)C(=O)/C=C/c4cc5c(nc4)NC(=O)C=C5	AE6	6-{(1e)-3-[3-(3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-en-1-yl}-1,8-naphthyridin-2(1h)-one
+Cc1c(c(n(n1)C2=Sc3ccccc3N2)O)[C@H]4c5ccccc5C(=O)O4	AE7	(3r)-3-[1-(3h-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1h-pyrazol-4-yl]-2-benzofuran-1(3h)-one
+c1c(ncc2c1OCCO2)CNC3CCN(CC3)C[C@@]4(CN5c6c4c(cnc6C=CC5=O)F)O	AE8	(s)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4h-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5h)-one
+C(CO)N=[N+]=[N-]	AE9	2-azidoethanol
+C([C@H](C(=O)N)N)SCC(=O)O	AEA	(2-amino-2-carbamoyl-ethylsulfanyl)-acetic acid
+c1cc(c(cc1CCN)C2CCCCC2)O	AED	4-(2-aminoethyl)-2-cyclohexylphenol
+CCN1CCN(CC1)Cc2ccc(cc2)c3cc4c([nH]3)ncnc4N[C@H](C)c5ccccc5	AEE	6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-n-[(1r)-1-phenylethyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1cc(ccc1CCN)O	AEF	4-(2-aminoethyl)phenol
+C[C@H](Cc1ccc(cc1)O)N	AEG	4-[(2r)-2-aminopropyl]phenol
+CCc1cc(ccc1O)CCN	AEH	4-(2-aminoethyl)-2-ethylphenol
+C[C@H]([C@@H](C(=O)O)N)OC(=O)C[C@@H](C(=O)O)N	AEI	threonine-aspartic ester
+c1ccc(cc1)[N@@]2CCc3cc(ccc3[C@H]2c4ccc(cc4)[N@]5CC[N@@]6CCCC[C@H]6C5)O	AEJ	(1s)-1-{4-[(9ar)-octahydro-2h-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
+CNc1[nH]c2c(n1)cc3c(c2CCNCC4CCCC4)N=CNC3=O	AEK	4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+Cc1ccc2c(c1)nc(n2c3ccncc3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O	AEL	2-{2-[5-methyl-1-(pyridin-4-yl)-1h-benzimidazol-2-yl]ethyl}-1h-benzo[de]isoquinoline-1,3(2h)-dione
+[H]/N=C/CN	AEM	2-aminoethanimidic acid
+CC(=O)NCCNc1cccc2c1cccc2S(=O)(=O)O	AEN	5-(1-sulfonaphthyl)-acetylamino-ethylamine
+c1ccc(cc1)N2C(=NNC2=S)CCN3C(=O)c4cccc5c4c(ccc5)C3=O	AEO	2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1h-1,2,4-triazol-3-yl)ethyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione
+C[C@H](C[P@](=O)([C@H](CC(=O)O)N)O)C(=O)O	AEP	3-[(1-amino-2-carboxy-ethyl)-hydroxy-phosphinoyl]-2-methyl-propionic acid
+CCC(=O)N1CCCc2c1ccc(c2)C(=O)OC	AEQ	methyl 1-propanoyl-3,4-dihydro-2~{h}-quinoline-6-carboxylate
+C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O	AER	abiraterone
+c1cc(ccc1CCN)S(=O)(=O)F	AES	4-(2-aminoethyl)benzenesulfonyl fluoride
+C[C@H]([C@@H](C(=O)O)NC(=O)N(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O	AET	n-[n-(9-b-d-ribofuranosylpurin-6-yl)methylcarbamoyl]threonine-5'-monophosphate
+c1ccc(cc1)Oc2cccc(c2)CNc3cc4c5ccccc5[nH]c4cn3	AEU	n-[(3-phenoxyphenyl)methyl]-9h-beta-carbolin-3-amine
+CC1=C(C(=O)N(N1)c2[nH]c3ccc(c(c3n2)Cl)Cl)[C@H]4c5ccccc5C(=O)O4	AEV	2-(4,5-dichloro-1h-benzimidazol-2-yl)-5-methyl-4-[(1r)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3h-pyrazol-3-one
+CCCCCCC1=CC(=O)N(C=C1)Cc2cccc(c2C)N	AEW	1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1h)-one
+CCCCNc1cc2c3ccccc3[nH]c2cn1	AEX	n-butyl-9h-beta-carbolin-3-amine
+c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3	AEY	7-(benzyloxy)-1h-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
+c1[nH]c2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	AEZ	(4~{s},5~{s},6~{r},7~{r})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{h}-benzimidazole-4,5,6-triol
+c1ccc-2c(c1)Cc3c2ccc(c3)N	AF	2-aminofluorene
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3c(c(c(c(c3F)F)C)F)F	AF0	n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide
+CC1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N[C@H]2C=C(C([C@@H]([C@H]2O)O)O)CO	AF1	4,6-dideoxy-4-{[(1s,4s,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-d-glucopyranose
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N	AF2	2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)
+F[Al](F)F	AF3	aluminum fluoride
+CC(C)NC(c1ccc(cc1)c2cc(oc2)c3ccc(cc3)C(N)NC(C)C)N	AF4	2,4-bis{[4-(n-isoporpyl)diaminomethyl]phenyl}furan
+c1c2c(c3c(c1F)N4CC[C@H]([C@H]4CC=C3)N)N(C=C(C2=O)C(=O)O)C5CC5	AF5	(7ar,8r)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1h-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid
+c1ccc(cc1)CNc2cc3c4ccccc4[nH]c3cn2	AF6	n-benzyl-9h-beta-carbolin-3-amine
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C	AF7	(3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4	AF8	3-hydroxy-n-{(2s,3r)-3-hydroxy-4-[(2-methylpropyl){[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino]-1-phenylbutan-2-yl}benzamide
+CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)S(=O)(=O)N)OC	AF9	5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide
+CC(C)C\C=C\C=C/C(=O)N[C@@H](CC(=O)N)C(=O)O	AFA	n-[7-methyl-oct-2,4-dienoyl]asparagine
+C[C@H]1CCC\C=C\[C@@H]2C[C@@H](C[C@H]2[C@@H](\C=C\C(=O)O1)O)O	AFB	1,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-4h-cyclopent[f]oxacyclotridecin-4-one
+CC[C@@H](C)CCCCCCCC[C@H](CC(=O)O)N	AFC	(3r,12r)-3-amino-12-methyltetradecanoic acid
+C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O	AFD	alpha-d-allopyranose
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)O)O	AFE	5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside
+CC(=O)Nc1ccc-2c(c1)Cc3c2cccc3	AFF	2-acetylaminofluorene-3-yl
+c1ccc-2c(c1)Cc3c2ccc(c3)Nc4nc5c(n4C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N	AFG	n-(5'-phospho-2'-deoxyguanosin-8-yl)-2-aminofluorene
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)F)O)O)N	AFH	adenosine-5'-diphosphate-2-deoxy-2-fluoro heptose
+c1ccc2c(c1)C(=C(C(=C3CCC(CC3)c4ccc(cc4)Cl)C2=O)O)O	AFI	2-[4-(4-chlorophenyl)cyclohexylidene]-3,4-dihydroxy-1(2h)-naphthalenone
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C)O	AFJ	(2r,4s,5s)-n-butyl-4-hydroxy-2,7-dimethyl-5-{[n-(4-methylpentanoyl)-l-methionyl]amino}octanamide
+Cc1ccc(c(c1)c2ccc(cc2Cl)CN)OC	AFK	[3-chloranyl-4-(2-methoxy-5-methyl-phenyl)phenyl]methanamine
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O	AFL	alpha-l-fucose
+c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)cn[nH]4)C(=O)NCc5cc[nH]n5)F	AFM	2-fluoro-5-[(3s,4r)-3-{[(1h-indazol-5-yl)oxy]methyl}piperidin-4-yl]-n-[(1h-pyrazol-3-yl)methyl]benzamide
+COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H](CO[C@@H]5O2)O	AFN	8,9-dihydro-9-hydroxy-aflatoxin b1
+CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O	AFO	octyl alpha-d-arabinofuranoside
+C([C@@H]1[C@H]([C@@H]([C@@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O	AFP	1,6-di-o-phosphono-alpha-d-fructofuranose
+CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCC4)N=C(NC3=O)N	AFQ	6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C1C(=O)[C@H]([C@@H]([C@](O1)(CO)F)O)O	AFR	alpha-d-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride
+C[C@@H](C(=O)N[C@@H](C)P(=O)(O)O)N	AFS	n-[(1r)-1-phosphonoethyl]-l-alaninamide
+COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5C=CO[C@@H]5O2	AFT	aflatoxin b1
+c1cc(cc(c1)N2CCNCC2)c3cc(c(nc3)N)C(=O)Nc4ccncc4	AFU	2-amino-5-[3-(piperazin-1-yl)phenyl]-n-(pyridin-4-yl)pyridine-3-carboxamide
+c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)cn[nH]5	AFV	2-fluoro-5-[(3s,4r)-3-{[(1h-indazol-5-yl)oxy]methyl}piperidin-4-yl]-n-[(pyridin-2-yl)methyl]benzamide
+COc1ccc(cc1c2ccc(cc2Cl)CN)C(F)(F)F	AFW	[3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)C(=C3F)CO)O)N	AFX	(4s,5s)-4-(6-amino-9h-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC1(COC1)CC(=O)O)O	AFY	(3-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid
+[H]/N=C(\c1ccc(cc1)c2cc(oc2)c3ccc(cc3)/C(=N\[H])/N)/N	AFZ	2,4-bis(4-amidinophenyl)furan
+[Ag+]	AG	silver ion
+CCc1cc(cc(n1)CC)CC[C@@]2(CC(=C(C(=O)O2)Cc3nc4nc(cc(n4n3)C)C)O)C5CCCC5	AG0	(6r)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2h-pyran-2-one
+C[C@@H](C(=O)O)NC(=O)C1(C=CC=C1)[Ru@@]2(n3c4ccc(cc4c5c3c6[n+]2cc(cc6c7c5C(=O)NC7=O)F)O)C#[O+]	AG1	ruthenium pyridocarbazole
+C(CCNC(=N)N)CN	AG2	agmatine
+[H]/N=C(/N)\NCCCCNCCCN	AG3	1-{4-[(3-aminopropyl)amino]butyl}guanidine
+COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N	AG4	n-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
+c1ccc(cc1)CCNC(=O)c2cc(cnc2Sc3ccccc3)S(=O)(=O)N	AG5	n-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
+CCC[C@@H](C=CC(=O)c1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)OCc3ccccc3	AG6	n-[(benzyloxy)carbonyl]-l-alpha-glutamyl-n-[(1s)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-l-phenylalaninamide
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C	AG7	4-{2-(4-fluoro-benzyl)-6-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-(2-oxo-pyrrolidin-3-yl)-pentanoic acid ethyl ester
+C/C(=C\CC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)/CCCN(C)C	AG8	s-[(2e,6e,10e)-14-(dimethylamino)-3,7,11-trimethyltetradeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate
+C1=CN(C(=NC1N)NCCCCNC(N)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	AG9	agmatidine
+CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[C@H](CO)O	AGA	(1s)-2-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(pentanoyloxy)methyl]ethyl octanoate
+[H]/N=C(/N)\Nc1ccc(cc1)CNC(=O)NC23CC4CC(C2)CC(C4)C3	AGB	n-(1-adamantyl)-n'-(4-guanidinobenzyl)urea
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	AGC	alpha-d-glucose
+c1nc2c(n1C[C@H](C(=O)O)N)N=C(NC2=O)N	AGD	3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-d-alanine
+Cn1cc(cc1\C=C\C(=O)NO)C(=O)Cc2ccccc2	AGE	(2e)-n-hydroxy-3-[1-methyl-4-(phenylacetyl)-1h-pyrrol-2-yl]prop-2-enamide
+C[C@@H](C(=O)NC[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2	AGF	o-(((1r)-((n-(phenyl-methoxy-carbonyl)-alanyl)-amino)methyl)hydroxyphosphinyl)3-l-phenyllactate
+CCCCS(=O)(=O)N[C@@H](Cc1ccc(cc1)OCCCCC2CCNCC2)C(=O)O	AGG	tirofiban
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	AGH	n-{(1s,2r,3s)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}hexacosanamide
+c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O	AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one
+c1ccc(cc1)CC(=O)N(CCO)Cc2ccc(cc2)C(=O)NO	AGJ	n-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide
+C1[C@H]([C@H]([C@H](NN1)CO)O)O	AGK	(3r,4s,5r)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N	AGL	4-amino-4,6-dideoxy-alpha-d-glucopyranose
+C[C@@H](CC[C@@H](C(=O)O)N)NC(=[NH2+])N	AGM	5-methyl-arginine
+CNc1ccccc1C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)n3cnc4c3N=C(NC4=O)N	AGN	phosphoaminophosphonic acid 3'-o-(n-methylanthraniloyl-2'-deoxyguanylate ester
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H](C2=O)n3cnc4c3N=C(NC4=O)N)CO[P@@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O	AGO	2-amino-9-(5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-o-{[2-(methylamino)phenyl]carbonyl}-beta-d-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6h-purin-6-one
+C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O	AGP	2-deoxy-2-amino glucitol-6-phosphate
+[H]/N=C(\N)/N/N=C/1\C=C(C(=O)C=C1O)C[C@@H](C(=O)O)N	AGQ	3-[(3e)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine
+C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)CO)O)O	AGR	[(2r,3s,4s,5s)-2,5-bis(hydroxymethyl)-5-[(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidany  l-oxolan-3-yl] [(2r,3r,4s,5s)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N	AGS	phosphothiophosphoric acid-adenylate ester
+C(CCN[C@H](N)SC[C@@H](C(=O)O)N)CN	AGT	s-{(s)-amino[(4-aminobutyl)amino]methyl}-l-cysteine
+C(=N)(N)NN	AGU	aminoguanidine
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@@H]([C@H]3CO)O)O	AGV	(2r,3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
+c1ccc(cc1)C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)CO)OP(=O)(O)O[C@@H]4[C@H]([C@H](CO[C@H]4O)O)O	AGW	[(2s,3s,4r,5r)-2,5-bis(hydroxymethyl)-2-[(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[oxidanyl-[(2r,3r,4s,5s)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-phosphoryl]oxy-oxolan-3-yl] benzoate
+C[C@@H](c1[nH]c2ccccc2n1)OC(=O)Nc3ccc(c(c3)Cl)Cl	AGX	(1s)-1-(1h-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate
+CC(C)(C)c1ccc(cc1[N+](=O)[O-])C(=O)NNC(=O)Nc2cccc3c2cccc3	AGY	2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-n-naphthalen-1-ylhydrazinecarboxamide
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C	AH0	2-(2-acetylamino-4-hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yloxy)-propionic acid
+c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5	AH1	aha001
+C1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	AH2	1-deoxy-alpha-d-mannopyranose
+CCOc1cc2c(cc1OC)CCN(C2)C=O	AH3	7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+c1ccc(cc1)N(c2ccccc2)c3ncc(cn3)C(=O)NCCCCCCC(=O)NO	AH4	2-(diphenylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
+CCOc1cc2c(cc1OC)CN(CC2)C=O	AH6	6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+c1ccc(cc1)C2(CCC(CC2)(F)F)Nc3ncc(cn3)C(=O)NO	AH7	2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-n-hydroxypyrimidine-5-carboxamide
+C([C@H]1[C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])O)O)O	AH8	(2r,3r,4r,5s)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol
+COc1cc2c(cc1OC)CN(CC2)C=O	AH9	6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+C(CCC(=O)O)CCN	AHA	6-amino hexanoic acid
+[C@H]([C@@H](C(=O)N)O)(C(=O)O)N	AHB	beta-hydroxyasparagine
+c1cc(ccc1CCC(=O)O)N	AHC	4-aminohydrocinnamic acid
+C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN	AHD	4-amino-1-hydroxybutane-1,1-diyldiphosphonate
+C(CC(=O)N[C@@H](CSCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	AHE	2-amino-4-[1-carboxymethyl-carbamoyl)-2-hydroxymethylsulfanyl-ethylcarbamoyl]-butyric acid
+COC(c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccc(cc3)CO)COc4ccccc4)O)O)COc5ccccc5)O	AHF	2-[4-(hydroxy-methoxy-methyl)-benzyl]-7-(4-hydroxymethyl-benzyl)-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda6-[1,2,7]thiadiazepane-4,5-diol
+C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O	AHG	2,5-anhydro-1,6-di-o-phosphono-d-glucitol
+CCCC[C@H]([C@@H](C(=O)O)O)N	AHH	amino-hydroxyheptanoic acid
+C(C[NH3+])CN/C(=N/O)/N	AHI	3-{[(e)-amino(hydroxyimino)methyl]amino}propan-1-aminium
+CCc1ccccc1c2ccc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3	AHK	2-(1~{h}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium
+[H]/N=C(\N)/NCCC[C@@H](C(=O)NO)N	AHL	n-hydroxy-l-argininamide
+C([C@@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O	AHM	2,5-anhydro-1,6-di-o-phosphono-d-mannitol
+CC(=O)NCCc1c[nH]cn1	AHN	n-[2-(1h-imidazol-4-yl)ethyl]acetamide
+CC(=O)N(CCC[C@@H](C(=O)O)N)O	AHO	n-acetyl-n-hydroxy-l-ornithine
+CCCCC[C@@H](C(=O)O)N	AHP	2-amino-heptanoic acid
+C1c2c(c3c(c(c2O)O)N[C@H](C[C@H]3C(=O)O)C(=O)O)N[C@@H]1C(=O)O	AHQ	(2s,7r,9r)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1h-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
+C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O	AHR	alpha-l-arabinofuranose
+CC(C)CN(C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O	AHS	(3-amino-4-cyclohexyl-2-hydroxy-butyl)-isobutyl-carbamic acid
+c1cc(ccc1C[C@@H](CCC(N)O)N)O	AHT	4-(2,5-diamino-5-hydroxy-pentyl)-phenol
+C1[C@@H](CO[C@@H]([C@H]1O)CO)N2C=C(C(=O)NC2=O)I	AHU	1',5'-anhydro-2',3'-dideoxy-2'-(5-iodouracil-1-yl)-d-ababino-hexitol
+CCc1ccc2ccc(cc2c1)OC	AHW	2-ethyl-7-methoxy-naphthalene
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)ONC(=O)[C@H](CO)N)O)O)N	AHX	seryl-hydroxamate-adenosine monophosphate
+CCCCCCC[C@H]([C@@H](C(=O)O)O)N	AHY	(2s,3r)-3-amino-2-hydroxydecanoic acid
+Cc1c(sc(n1)C(=O)[O-])CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	AHZ	adenosine diphosphate 5-(beta-ethyl)-4-methyl-thiazole-2-carboxylic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4	AI	(2s,2's)-n,n'-[(2s,3s,4s,5s)-1-cyclohexyl-3,4-dihydroxy-6-phenylhexane-2,5-diyl]bis[3-methyl-2-({[methyl(pyridin-2-ylmethyl)amino]carbonyl}amino)butanamide]
+c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	AI1	n-benzyl-3-(alpha-d-galactos-1-yl)-benzamide
+[B-]1(O[C@@]2([C@](O1)([C@H](CO2)O)O)C)(O)O	AI2	3a-methyl-5,6-dihydro-furo[2,3-d][1,3,2]dioxaborole-2,2,6,6a-tetraol
+COc1cc2c[nH+]c-3c(c2cc1OC)Cc4c3cc5c(c4)OCO5	AI3	2,3-dimethoxy-12h-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCN(CC[C@@H](C(=O)O)N)CCO[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=NC5=O)N)COP(O)O)O)O)O)N	AI5	(2~{s})-4-[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[2-[(2~{r},3~{r},4~{r},5~{r})-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-[bis(oxidanyl)phosphanyloxymethyl]-4-oxidanyl-oxolan-3-yl]oxyethyl]amino]-2-azanyl-butanoic acid
+CCCCCCCOc1cccc(c1)C(=O)O	AI7	3-(heptyloxy)benzoic acid
+CCON=C(c1nc(sn1)N)C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)Sc3nc(cs3)c4cc[n+](cc4)C)C(=O)O	AI8	ceftaroline, bound form
+C([C@H]([C@H]([C@H](/C=N/C1=C(C(=O)NC(=O)N1)N)O)O)O)OP(=O)(O)O	AI9	[(2r,3s,4s,5e)-5-[[5-azanyl-2,4-bis(oxidanylidene)-1h-pyrimidin-6-yl]imino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+C#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN	AIA	(1s)-2-[(2s,5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
+CC(C)(C(=O)O)N	AIB	alpha-aminoisobutyric acid
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C	AIC	(2s,5r,6r)-6-{[(2r)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+C([C@H]([C@H]([C@@H](\C=N\C1=C(C(=O)NC(=O)N1)N)O)O)O)OP(=O)(O)O	AIF	[(2r,3s,4r,5e)-5-[(5-amino-2,6-dioxo-3h-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
+CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O	AIG	hexyl 3-amino-3-deoxy-beta-d-galactopyranoside
+C[C@H]1CN(C[C@@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O	AIH	(2s,3r)-2-(4-{2-[(3r,4r)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6- ol
+C[C@@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5	AIJ	(2s,3r)-3-(4-hydroxyphenyl)-2-(4-{[(2s)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
+CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC=O)C(=O)NCCCN(C)C	AIK	n-[3-(dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-5-isopropyl-1,3-thiazole-4-carboxamide
+c1c(ncs1)C(=O)NC[C@H]2C[C@H](NC2)C(=O)N3CCSC3	AIL	n-{[(3s,5s)-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]methyl}-1,3-thiazole-4-carboxamide
+C1CC(=C2C=NC(=N2)N)CCC1N	AIM	4-(4-amino-cyclohexylidene)-4h-imidazol-2-ylamine
+CC(=O)Oc1ccccc1C(=O)O	AIN	2-(acetyloxy)benzoic acid
+B([C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)N)(O)O	AIO	[(2r)-1-(l-alanyl-l-isoleucyl)pyrrolidin-2-yl]boronic acid
+c1cnc([nH]1)SCc2cc(cc3c2N=C(NC3=O)N)N	AIQ	2,6-diamino-8-(1h-imidazol-2-ylsulfanylmethyl)-3h-quinazoline-4-one
+c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	AIR	5-aminoimidazole ribonucleotide
+c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N	AIS	5-aminoimidazole ribonucleoside
+C[C@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5	AIT	(2s,3r)-3-(4-hydroxyphenyl)-2-(4-{[(2r)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
+C[C@@H]1CN(C[C@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O	AIU	(2s,3r)-2-(4-{2-[(3s,4s)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
+c1cc[n+]2c(c1)C(=O)O[V+3]23(=O)([n+]4ccccc4C(=O)O3)O	AIV	hydroxy(oxo)bis(pyridine-2-carboxylato-kappa~2~n,o)vanadium(3+)
+c1ccc(cc1)C[SeH]	AIW	phenylmethaneselenol
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C	AIX	(2r,4s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CN(C)CCCC(=O)Nc1cc(cc(c1)C(=O)O)c2c3ccc(cc3[nH]n2)Nc4ccccc4Cl	AIZ	3-{6-[(2-chlorophenyl)amino]-1h-indazol-3-yl}-5-{[4-(dimethylamino)butanoyl]amino}benzoic acid
+CC(=O)Nc1ccc2c(c1)sc(n2)NC	AJ1	n-(2-methylamino)-1,3-benzothiazol-6-yl)acetamide
+Cc1cc(nc2c1cccc2)O	AJ2	4-methylquinolin-2-ol
+C=CC[S@@](=O)C/C=C/S	AJ3	3-(prop-2-ene-1-sulfinyl)-propene-1-thiol
+CC1=CC(=O)Nc2c1ccc(c2)c3ccccc3F	AJ4	7-(2-fluorophenyl)-4-methylquinolin-2(1h)-one
+CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCOC	AJ5	3-chloro-n-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
+CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)N	AJ6	7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1h)-one
+CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4	AJ7	3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide
+CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)O	AJ8	3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid
+CC1=C(C(=O)Oc2c1ccc(c2)OCC3CCN(CC3)Cc4ccccc4)C	AJ9	3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one
+CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)C(=O)O)(C)C)O	AJA	(6ar,10ar)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydro-6h-benzo[c]chromene-9-carboxylic acid
+Cc1csc(n1)NC(=O)c2cc(ccc2N)Sc3nncn3C	AJB	2-amino-n-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]benzamide
+c1cc(c(cc1Br)C(=O)O)N[C@@H]2CCCNC2	AJD	5-bromo-2-[(3r)-piperidin-3-ylamino]benzoic acid
+C1[C@@H]([C@H](CN1C(=O)CCC(=O)O)N)C(=O)O	AJE	(3s,4r)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid
+CC(=O)N=C1Nc2ccc(cc2S1)C#N	AJG	n-(6-cyano-3h-1,3-benzothiazol-2-ylidene)ethanamide
+c1cc(ccc1C(=O)N2CCCN(CC2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(=O)O	AJH	4-({4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid
+Cc1csc(n1)NC(=O)c2c(ccc(n2)Sc3nncn3C)Sc4ccc(cc4)F	AJI	3-[(4-fluorophenyl)sulfanyl]-n-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
+CN1CCC(CC1)c2nc(on2)c3ccc(cc3)O	AJJ	4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
+c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3ccc[nH]3	AJK	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{h}-pyrrol-2-yl)ethyl]azanium
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4	AJL	(1s)-1-[(1h-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+C[N@]1c2ccccc2[C@@]34[C@@H]1[C@@H]5C[C@H]6C[C@@H]([N@@]5[C@@H](C3)[C@H]6[C@H]4O)O	AJM	ajmaline
+C[C@H]1[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)OC	AJN	ajmalicine
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1	AJP	digitonin
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O[P@@](=O)(OP(=O)(O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)S)O)O	AJQ	[(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid
+CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO	AJR	2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9h-purin-2-yl]azanediyl}di(ethan-1-ol)
+c1cc2c(cc1C(=O)O)OCCOCCOCCOCCOCCO2	AJU	2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid
+C1=CC2=C(C(=O)N=C2C(=C1)F)NO	AJV	7-fluoro-3-(hydroxyamino)-2h-indol-2-one
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCCc3c[nH]c4c3cccc4	AJX	(1s)-1-[3-(1h-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+Cc1cc\2c(cc1Br)NC(=O)/C2=N\O	AJY	(3z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2h-indol-2-one
+c1cc(cc(c1)O)c2nc3ccsc3c(n2)N4CCOCC4	AJZ	3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3ccc(c4)F	AK0	(1s)-1-[2-(6-fluoro-1h-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3)C(F)(F)F	AK1	1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
+c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3	AK2	1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea
+Cn1c2c(cn1)ncnc2NCCc3cnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F	AK3	1-(5-{2-[(1-methyl-1h-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
+c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(cnn4CC(=O)O)ncn3	AK4	(7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1h-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid
+COc1ccc(cc1NC(=O)CCSc2c(c(ncn2)N)Br)C(=O)Nc3ccccc3	AK5	3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-n-phenylbenzamide
+COc1ccc(cc1NC(=O)CCSCc2cc3cc[nH]c3nc2)C(=O)Nc4ccccc4	AK6	4-methoxy-n-phenyl-3-({3-[(1h-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide
+c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c(c(ncn3)N)Br)C(F)(F)F	AK7	1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
+Cc1cc(ccc1Oc2c(cccn2)c3ccnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F	AK8	1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
+CC[C@@]1(Cc2cc3c(c(c2[C@H](C1)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)OC5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6CCC(=O)[C@H](O6)C)O)N(C)C)O)C(=O)c7c(cccc7O)C3=O)O	AKA	10-decarboxymethylaclacinomycin a (dcmaa)
+CC(=O)[C@@H](C(=O)O)N	AKB	2-amino-3-ketobutyric acid
+CCOCCOC(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@]2(C(=O)C(=CN2)[C@H]3c4ccccc4[C@@H]5[C@H]3OC(=O)N5)Cc6ccccc6)O	AKC	2-ethoxyethyl (1s,2s)-3-{(2s)-4-[(3as,8s,8ar)-2-oxo-3,3a,8,8a-tetrahydro-2h-indeno[1,2-d][1,3]oxazol-8-yl]-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl}-1-benzyl-2-hydroxypropylcarbamate
+c1cc(c(cc1Br)C(=O)[O-])N[C@H]2CCCNC2	AKD	5-bromo-2-[(3s)-piperidin-3-ylamino]benzoate
+c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)NCCNCCO)NCCNCCO	AKE	1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione
+C(CC(=O)O)C(=O)C(=O)O	AKG	2-oxoglutaric acid
+c1cc2ccoc2c(c1)C(=O)O	AKH	1-benzofuran-7-carboxylic acid
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCc5ccc(cc5)NC(=O)Nc6ccccc6	AKI	1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea
+CC(C)CC(=O)c1ccc(c(c1)O[C@H]2CCOC2)OC(F)F	AKJ	1-[4-(difluoromethoxy)-3-{[(3s)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one
+C/C=C\N	AKK	(1z)-prop-1-en-1-amine
+C([C@@H](C(=O)CCl)N)C(=O)O	AKL	3-amino-5-chloro-4-oxopentanoic acid
+C[C@@H]1C([C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N)(O)O	AKM	[(2r,4s,6r)-4-azanyl-4,6-dimethyl-5,5-bis(oxidanyl)oxan-2-yl] [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N	AKN	(2s)-n-[(1r,2s,3s,4r,5s)-4-[(2r,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2s,3r,4s,5s ,6r)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide
+Cc1ccc2c(c1)[nH]cc2CC[C@H]3c4cc(c(cc4CCN3C=O)OC)OC	AKO	(1s)-6,7-dimethoxy-1-[2-(6-methyl-1h-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC=C)C(C(=O)N[C@@H](Cc2ccc(cc2)OP(=O)(O)O)C(=O)O)(O)O)NC(=O)[C@H](CC(C)C)NC(=O)c3cnccn3	AKP	n-(pyrazin-2-ylcarbonyl)leucylisoleucyl-n~1~-{1-[2-({1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-enyl}-3-cyclohexylalaninamide
+C=CC(=O)O	AKR	acrylic acid
+CCCCCC(=O)NCCCCC#C	AKS	n-(hex-5-yn-1-yl)hexanamide
+CC[C@@]1(Cc2cc3c(c(c2[C@H](C1)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)N(C)C)O)C(=O)c5c(cccc5O)C3=O)O	AKT	10-decarboxymethylaclacinomycin t (dcmat)
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3cccc4	AKU	(1s)-1-[2-(1h-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+CCC(C[C@H](c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)CC(=O)OC)O)O	AKV	{3-[(1r,3s)-1,3-dihydroxypentyl]-4,5,9,10-tetrahydroxy-2-anthryl}acetate
+C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)OP(=O)(O)OP(=O)(O)SCC4[C@@H]([C@@H](C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O	AKW	[(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(3~{r},4~{s})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid
+C[C@H](CCCC(Cc1ccccc1)(Cc2ccccc2)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C5C[C@H](C(=C)[C@@H](C5)O)O)C	AKX	(1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@H](O5)C)O[C@@H]6C[C@H]([C@H]([C@H](O6)C)O[C@@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O	AKY	methyl (2s,4r)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-o-{2,6-dideoxy-4-o-[(2s,6s)-6-methyl-5-oxotetrahydro-2h -pyran-2-yl]-alpha-d-lyxo-hexopyranosyl}-3-(dimethylamino)-d-ribo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-c arboxylate
+C([C@@H](C(O)O)N)C(=O)O	AKZ	(3s)-3-amino-4,4-dihydroxybutanoic acid
+[Al+3]	AL	aluminum ion
+C([C@@H](C(=O)O)N)N(N=O)O	AL0	3-[hydroxy(nitroso)amino]-l-alanine
+COc1cccc(c1)N2CCc3cc(sc3S2(=O)=O)S(=O)(=O)N	AL1	3,,4-dihydro-2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+COc1ccc(cc1)[N@@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O	AL2	3,4-dihydro-4-hydroxy-2-(4-methoxyphenyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+c1cc(sc1)C[N@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O	AL3	3,4-dihydro-4-hydroxy-2-(2-thienymethyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOC	AL4	(r)-4-ethylamino-3,4-dihydro-2-(2-methoylethyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+Cc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N	AL5	thiophene-2,5-disulfonic acid 2-amide-5-(4-methyl-benzylamide)
+COc1cccc(c1)N2C=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N	AL6	2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazine-6-sulfinamide-1,1-dioxide
+CN[C@@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC	AL7	(s)-3,4-dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+CN[C@H]1C[N@@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC	AL8	(r)-3,4-dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N	AL9	n-[(4-methoxyphenyl)methyl]2,5-thiophenedesulfonamide
+C[C@@H](C(=O)O)N	ALA	alanine
+C[C@@H](C(=O)[O-])[NH-]	ALA_LEO2	l-alaline c-terminal deprotonated fragment
+C[C@@H](C(=O)O)[NH-]	ALA_LEO2H	l-alaline c-terminal protonated fragment
+C[C@@H](C(=O)O)N	ALA_LFOH	l-alaline free neutral
+C[C@@H](C(=O)[O-])[NH3+]	ALA_LFZW	l-alaline free zwitterion
+C[C@@H]([C-]=O)[NH-]	ALA_LL	l-alaline - linking embedded fragment
+C[C@@H]([C-]=O)[NH3+]	ALA_LSN3	l-alaline n-terminal protonated fragment
+CC1=O[Fe]2345O=C(N(O2)CCC[C@H](C(=O)N[C@@H](CCCN(O3)C(=O4)C)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H]([C@@H]6[C@H]([C@@H]([C@@H](S6)N7C=CC(=NC(=O)N)N(C7=O)C)O)O)O)C(=O)O)NC(=O)C(CCCN1O5)N)C	ALB	delta-2-albomycin a1
+C1CCC(CC1)C[C@@H](C(=O)O)N	ALC	2-amino-3-cyclohexyl-propionic acid
+CC(C)C[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ALD	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s)-1-hydroxy-4-methylpentan-2-yl]-l-leucinamide
+CNC[C@@H](c1ccc(c(c1)O)O)O	ALE	l-epinephrine
+F[Al-](F)(F)F	ALF	tetrafluoroaluminate ion
+[H]/N=C(\N)/NCCCC(=O)O	ALG	4-carbamimidamidobutanoic acid
+CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2	ALH	6-phenyl[5h]pyrrolo[2,3-b]pyrazine
+C=NC1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O	ALI	methyl n-acetyl allosamine
+C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CCCN=C(N)N	ALJ	cyclo-(l-arginine-l-proline) inhibitor
+C[C@H](O)P(=O)(O)OC	ALK	methoxy-[(1~{r})-1-oxidanylethyl]phosphinic acid
+C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O	ALL	beta-d-allopyranose
+C[C@@H](C(=O)C)N	ALM	1-methyl-alaninal
+c1ccc2c(c1)cccc2C[C@@H](C(=O)O)N	ALN	naphthalen-2-yl-3-alanine
+C[C@@H]([C@@H](C(=O)O)N)O	ALO	allo-threonine
+CC1([C@@H](N[C@H](S1)[C@@H](CO)C(=O)O)C(=O)O)C	ALP	2-(1-carboxy-2-hydroxy-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid
+CC(C)C(=O)O	ALQ	2-methyl-propionic acid
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC(=O)O	ALR	alrestatin
+[C@H]([C@@H](O)OS(=O)(=O)O)(C(=O)O)N	ALS	(3s)-3-(sulfooxy)-l-serine
+C[C@@H](C(=S)O)N	ALT	thioalanine
+CC(=O)[P@](=O)(O)OC	ALU	methyl hydrogen (s)-acetylphosphonate
+C[C@@H](C(O)O)N	ALV	(2s)-2-aminopropane-1,1-diol
+CCCS(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC	ALW	methyl 5-(propylsulfinyl)-1h-benzimidazol-2-ylcarbamate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O)O)O)O	ALX	2-o-phosphono-alpha-d-glucopyranose
+CC(=O)NCCCC[C@@H](C(=O)O)N	ALY	n(6)-acetyllysine
+c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)NNCCCCN	ALZ	2-[n'-(4-amino-butyl)-hydrazinocarbonyl]-pyrrolidine-1-carboxylic acid benzyl ester
+[Am+3]	AM	americium ion
+COc1cc(cc(c1OC)OC)Nc2ncnc(n2)n3c4ccccc4nc3Nc5ccccc5	AM0	n-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1h-benzimidazol-2-amine
+Cc1c(c(no1)C(=O)O)CC(C(=O)O)N	AM1	(s)-2-amino-3-(3-carboxy-5-methylisoxazol-4-yl)propionic acid
+CN[C@H]1[C@H]([C@@H]2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O	AM2	apramycin
+CCCCCCCC/N=C\1/N2[C@H](CO1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O	AM3	(3z,5s,6r,7s,8s,8ar)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
+CS(=O)(=O)c1ccc(cc1)C(=N)N	AM4	4-(methylsulfonyl)benzenecarboximidamide
+Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5cccc(c5)C(F)(F)F	AM5	4-methyl-n~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-n~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
+Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)NC(=O)c5cccc(c5C)C(F)(F)F	AM6	2-methyl-n-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide
+CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)Cc6ccccc6	AM7	2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3h)-one
+Cc1c(c([nH]c1C)CC2=C3C=C(C=CC3=NC2=O)S(=O)(=O)N(C)c4cccc(c4)Cl)C	AM8	n-(3-chlorophenyl)-n-methyl-2-oxo-3-[(3,4,5-trimethyl-1h-pyrrol-2-yl)methyl]-2h-indole-5-sulfonamide
+Cc1cccc(c1N2c3nc4ccccc4n3-c5c(cnc(n5)Nc6ccc(cc6)N7CCN(CC7)C)C2=O)C	AM9	6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6h)-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O	AMA	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-succinic acid
+CO\C=C/[C@@H](C(=O)O)N	AMB	l-2-amino-4-methoxy-cis-but-3-enoic acid
+C1CCC(CC1)C[NH3+]	AMC	aminomethylcyclohexane
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)N	AMD	aspartyl-2'-deoxy-adenosine-5'-monophosphate
+CC(=O)N[C@@H](CCSC)C(=O)O	AME	n-acetylmethionine
+CCCCCCCCN=C1N2[C@H](CS1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O	AMF	(3z,5s,6r,7s,8r,8as)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol
+CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	AMG	methyl alpha-d-galactopyranoside
+C1CC(CCC1CN)C(=O)O	AMH	trans-4-aminomethylcyclohexane-1-carboxylic acid
+CN(C)C1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O	AMI	allosamizoline
+CC(=O)N[C@@H](COC)C(=O)NCc1ccccc1	AMJ	n~2~-acetyl-n-benzyl-o-methyl-l-serinamide
+CCCCCN	AML	amylamine
+CC(C)C[C@H](C[Si](CN)(O)O)C=O	AMM	(2s)-2-{[(aminomethyl)(dihydroxy)silyl]methyl}-4-methylpentanal
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CN)O)O)(C(=O)O)OC)O	AMN	methyl 5-acetamido-9-amino-3,5,9-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)O)N	AMO	aspartyl-adenosine-5'-monophosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	AMP	adenosine monophosphate
+Cc1c(c(no1)O)C[C@@H](C(=O)O)N	AMQ	(s)-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid
+c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N	AMR	3,5-diamino-n-(aminoiminomethyl)-6-chloropyrazinecarboxamide
+c1cc(c(cc1S(=O)(=O)N)[Hg])N	AMS	3-mercuri-4-aminobenzenesulfonamide
+c1csc(n1)N	AMT	2-aminothiazole
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	AMU	n-acetyl-beta-muramic acid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C	AMV	methyl 2-acetamido-3-o-[(1r)-1-carboxyethyl]-2-deoxy-beta-d-glucopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[W](=O)(O)O)O)O)N	AMW	adenosine monotungstate
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)N)O	AMX	amidocarboxymethyldethia coenzyme *a
+CCCCC[C@@H]1[C@H]([C@H](OC(=O)[C@H]([C@@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C	AMY	antimycin
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N	AMZ	aminoimidazole 4-carboxamide ribonucleotide
+CCC[C@@H](C(=O)O)NC(=O)C	AN0	n-acetyl-l-norvaline
+Cc1c2ccccc2c(c3c1cccc3)CCC(=O)O	AN1	3-(10-methyl-anthracen-9-yl)-propionic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(N)O)O)O)N	AN2	amp phosphoramidate
+c1ccc2cc3ccccc3cc2c1	AN3	anthracene
+c1cc(cnc1)C2=NCCCC2	AN4	3,4,5,6-tetrahydro-2,3'-bipyridine
+c1cc(cnc1)C(=O)CCCCN	AN5	5-amino-1-pyridin-3-ylpentan-1-one
+CC[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	AN6	5'-{[(3s)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)C(=O)O)O	AN7	(3e)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid
+CCCCCCC[C@@H](C(=O)O)N	AN8	(2s)-2-aminononanoic acid
+CCN(CC)CCC(=O)Nc1cccc2c1C(=O)c3cccc(c3C2=O)NC(=O)CCN(CC)CC	AN9	1,5-bis[3-(diethylamino)propionamido]anthracene-9,10-dione
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)OC(=O)C	ANA	methyl 4-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C	ANB	androsta-1,4-diene-3,17-dione
+c1ccc2cc3c(cccc3N)cc2c1	ANC	anthracen-1-ylamine
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C	AND	3-beta-hydroxy-5-androsten-17-one
+c1[nH]c2c(n1)c(ncn2)N	ANE	adenine
+c1ccc2c(c1)cc3ccccc3c2O	ANF	anthrone
+c12c([nH]c(n1)N)N=C(NC2=O)N	ANG	8-aminoguanine
+Cc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)OC	ANH	methyl n-[(4-methylphenyl)sulfonyl]glycyl-3-[amino(imino)methyl]-d-phenylalaninate
+c1cc(ccc1C(F)(F)F)N	ANI	4-(trifluoromethyl)aniline
+CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@@H](C)CC	ANJ	(2r,3s,6s,7r,8r)-3-{[3-(formylamino)-2-hydroxybenzoyl]amino}-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl (2s)-2-methylbutanoate
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O)N	ANK	9-{5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-l-ribofuranosyl}-9h-purin-6-amine
+c1ccc(cc1)N	ANL	aniline
+CC(=O)O[C@@H]1[C@H](CN[C@@H]1Cc2ccc(cc2)OC)O	ANM	anisomycin
+COc1ccc(cc1)C(=O)O	ANN	4-methoxybenzoic acid
+C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	ANO	5-beta-androstane-3,17-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N	ANP	phosphoaminophosphonic acid-adenylate ester
+c1cc2cccc3c2c(c1)C(=O)C3=O	ANQ	acenaphthenequinone
+CC\1=CCCC(/C1=C\C=C(/C)\C=C\C=C(/C)\C=C)(C)C	ANR	anhydroretinol
+CN(C)c1cccc2c1cccc2S(=O)(=O)O	ANS	5-(dimethylamino)-1-naphthalenesulfonic acid(dansyl acid)
+Cc1ccc2c(c1O)N[C@H]([C@@H]3CC(=CN3C2=O)\C=C\C(=O)N)O	ANT	anthramycin
+C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O	ANU	2,2'-anhydro-(1-beta-d-arabinofuranosyl)uracil
+c1ccc(cc1)OCc2cn(nn2)c3ccc(cc3)S(N)(O)O	ANV	1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole
+CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O	ANW	2-amino-7-(1-methylethyl)-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxylic acid
+c1cc(c(cc1[N+](=O)[O-])O)[N+](=O)[O-]	ANX	2,5-dinitrophenol
+CCCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@H](C)CC	ANY	2-methyl-butyric acid 3-(3-formylamino-2-hydroxy-benzoylamino)-8-heptyl-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester
+[B@@-]12(c3ccc(cc3CO1)F)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	ANZ	[(6-amino-9h-purin-9-yl)-[5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole]-4'yl]methyl dihydrogen phosphate
+CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C	AO	acridine orange
+CCSCC[C@@H]([C@@H](C(=O)N[C@@H](C)c1cccc2c1cccc2)O)N	AO1	(2s,3r)-3-amino-2-hydroxy-5-(ethylsulfanyl)pentanoyl-((s)-(-)-(1-naphthyl)ethyl)amide
+Cc1ccc(cc1)NNC(=O)[C@H]([C@@H](CC2CCCCC2)N)O	AO2	n'-(2s,3r)-3-amino-4-cyclohexyl-2-hydroxy-butano-n-(4-methylphenyl)hydrazide
+CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@H]4[C@@H]([C@H]3O)N=C(O4)N(C)C)CO)CO)CO)O)O	AO3	allosamidin
+c1cnc(cc1C(=O)O)Cl	AO4	2-chloropyridine-4-carboxylic acid
+CC(C)SCC[C@H]([C@@H](C(=O)NNC(=O)c1cccc(c1)Cl)O)N	AO5	n'-((2s,3r)-3-amino-2-hydroxy-5-(isopropylsulfanyl)pentanoyl)-n-3-chlorobenzoyl hydrazide
+CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)C[C@@H](C)O	AO6	2-methyl-1-[(2r)-2-oxidanylpropyl]-9h-carbazole-3,4-dione
+c1ccc2c(c1)C(=O)C=C(O2)C(=O)O	AO7	4-oxo-4h-1-benzopyran-2-carboxylic acid
+B(c1ccccc1CNCCNS(=O)(=O)c2cccc3c2ccnc3)(O)O	AO8	[2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid
+c1csc2n1c(cn2)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O	AO9	5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine
+C(C(=O)O)ON	AOA	(aminooxy)acetic acid
+c1ccc(cc1)/C=C/c2c(c3c([nH]2)N=C(NC3=O)N)C#N	AOB	(e)-2-amino-4-oxo-6-styryl-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+C#CCOC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	AOC	5'-o-prop-2-yn-1-yladenosine
+c1cc(c(cc1Br)C(=O)O)N[C@H]2CCC[C@H](C2)C(=O)O	AOD	5-bromo-2-{[(1s,3r)-3-carboxycyclohexyl]amino}benzoic acid
+CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O)O	AOE	n-butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthren-7-yl]-n-methylundecanamide
+C([C@@H]1[C@H]([C@H]([C@@H](O1)NC2=C(C(=O)NC(=O)N2)N)O)O)OP(=O)(O)O	AOF	n-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-o-phosphono-beta-d-ribofuranosylamine
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O	AOG	octyl 3-amino-3-deoxy-beta-d-galactopyranoside
+CCC1=C(C2=[N-]3C1=Cc4c(c(c5n4[Mg]36[N-]7=C8C(=C9N6C(=C2)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)[C@H](C(=O)C8=C(C7=C5)C)C(=O)OC)[C@H](C)O)C)C	AOH	8(1)-oh-chlorophyll af
+C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O	AOI	androsterone
+c1cc2c(cc1F)c(c[nH]2)[C@H]3CC(=O)NC3=O	AOJ	(3r)-3-(5-fluoro-1h-indol-3-yl)pyrrolidine-2,5-dione
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)C	AOK	~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{h}-benzimidazol-2-yl)ethanamine
+C1([C@H]([C@H]([C@H]([C@H]1O)O)O)O)N	AOL	(1r,2r,3s,4s,5r)-5-aminocyclopentane-1,2,3,4-tetrol
+C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O	AOM	5-alpha-androstane-3-beta,17beta-diol
+C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O	AON	5-alpha-androstane-3-beta,17-alpha-diol
+CCNc1nc(nc(n1)OC)NC(C)C	AOO	n-ethyl-6-methoxy-n'-(1-methylethyl)-1,3,5-triazine-2,4-diamine
+CCCCCONCC=O	AOP	pentyloxyamino-acetaldehyde
+c1ccc2c(c1)C(=O)C(=C(C2=O)O)C3CCC(CC3)c4ccc(cc4)Cl	AOQ	2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione
+CC(=O)N[C@@H](CCCN)C(=O)O	AOR	n~2~-acetyl-l-ornithine
+C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O	AOS	d-allose
+c1ccc(cc1)NC(=O)C(=O)O	AOT	2-oxidanylidene-2-phenylazanyl-ethanoic acid
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)C(=O)c3cn(c4c3cccc4/C=C/C(=O)O)C	AOU	(2e)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1h-indol-7-yl}prop-2-enoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)(O)O)O)O)N	AOV	adp orthovanadate
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(n3)cccc4[N+](=O)O	AOW	[2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{h}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium
+C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O	AOX	(3beta,5alpha)-3-hydroxyandrostan-17-one
+c1ccc(cc1)N/C=C/2\CCCOC2=O	AOY	(3e)-3-[(phenylamino)methylidene]oxan-2-one
+CC(C(=O)O)NC(Cc1c[nH]cn1)C(=O)O	AOZ	histopine
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)N	AP	n-1-aminopyrene
+CC(C1=CN(C=CC1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O	AP0	acetyl pyridine adenine dinucleotide, reduced
+CC[C@@H](c1cc(c(c(c1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O	AP1	{3-[3-(3,4-dimethoxy-phenyl)-1-(1-{1-[2-(3,4,5-trimethoxy-phenyl)-butyryl]-piperidin-2yl}-vinyloxy)-propyl]-phenoxy}-acetic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N	AP2	phosphomethylphosphonic acid adenosyl ester
+CC1([C@@H](N[C@H](S1)[C@H](C(=O)O)C(C)(C)O)C(=O)O)C	AP3	2-(1-carboxy-2-hydroxy-2-methyl-propyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid
+C1[C@@H]2COC(=O)N2C3=C(N1)N=C(NC3=O)N	AP4	7-amino-3,3a,4,5-tetrahydro-8h-2-oxa-5,6,8,9b-tetraaza-cyclopenta[a]naphthalene-1,9-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	AP5	bis(adenosine)-5'-pentaphosphate
+c1ccc(cc1)[C@@H]2CNc3c(c(nc(n3)N)N)N2	AP6	2,4-diamino-6-phenyl-5,6,7,8,-tetrahydropteridine
+c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	AP7	n1-protonated adenosine-5'-monophosphate
+C[C@@H]1CC[C@@H](/C(=C/C[C@H](C[C@H](\C=C\C[C@H](OC(=O)\C=C\C=C\C[C@H]([C@H]([C@@H]1O)C)OC(=O)[C@H](COC)N(C)C)[C@@H](C)[C@H]([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)\C=C\N(C)C=O)OC(=O)C)OC(=O)[C@H](C)N(C)C)O)OC)C)/C)OC	AP8	(8r,9r,10r,11r,14s,18s,20s,24s)-24-{(1r,2s,3r,6r,7r,8r,9s,10e)-8-(acetyloxy)-6-[(n,n-dimethylalanyl)oxy]-11-[formyl(met hyl)amino]-2-hydroxy-1,3,7,9-tetramethylundec-10-enyl}-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxooxacyclote tracosa-3,5,15,21-tetraen-8-yl n,n,o-trimethylserinate
+CC(C)[C@@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cc(cc(c3)Cl)N	AP9	(2s)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methylbutan-1-ol
+[H]/N=C(/c1ccc(cc1)C[C@@H](C(=O)O)O)\N	APA	(2s)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid
+B(c1cccc(c1)N)(O)O	APB	m-aminophenylboronic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N	APC	diphosphomethylphosphonic acid adenosyl ester
+Cc1cccc(c1)C[C@@H](C(=O)O)N	APD	3-methylphenylalanine
+c1ccc(cc1)C[C@H](N)NC(=O)O	APE	(1-amino-2-phenyl-ethyl)-carbamic acid
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F	APF	1,1,1-trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone)
+C[C@](c1ccccc1)(C(=O)O)O	APG	atrolactic acid (2-phenyl-lactic acid)
+c1cc(ccc1C[C@H](C(=O)O)N)C(=N)N	APH	p-amidinophenyl-3-alanine
+C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N	API	2,6-diaminopimelic acid
+c1cc2c(cc1Nc3nccc(n3)Nc4cc(n[nH]4)C5CC5)nc[nH]2	APJ	n~2~-1h-benzimidazol-5-yl-n~4~-(3-cyclopropyl-1h-pyrazol-5-yl)pyrimidine-2,4-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H](C=O)N)O)O)O)N	APK	5'-o-[(s)-{[(5s)-5-amino-6-oxohexyl]amino}(hydroxy)phosphoryl]adenosine
+CC(=O)N[C@@H](Cc1ccccc1)C(C(F)(F)F)(O)O	APL	n-(1-benzyl-3,3,3-trifluoro-2,2-dihydroxy-propyl)-acetamide
+c1cc(cc(c1)C(=N)N)C[C@@H](C(=O)O)N	APM	m-amidinophenyl-3-alanine
+c1nc(c2c(n1)n(cn2)CC(=O)N(CC[NH3+])CC(=O)O)N	APN	2-aminoethylglycine-carbonylmethylene-adenine
+C([C@H](C(=O)O)N)P(=O)(O)O	APO	d-2-amino-3-phosphono-propionic acid
+CC(=O)N1CCCC[C@H]1C(=O)O	APP	1-acetyl-2-carboxypiperidine
+CCCSCc1cc(cc2c1N=C(NC2=O)N)N	APQ	2,6-diamino-8-propylsulfanylmethyl-3h-quinazoline-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N	APR	adenosine-5-diphosphoribose
+C[C@@H](Cn1cnc2c1ncnc2N)O	APS	9-hydroxypropyladenine, s-isomer
+c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc([nH+]3)N)O	APT	2-amino-6-[(4-carboxy-phenylamino)-methyl]-4-hydroxy-pteridin-1-ium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O)O)O)N	APU	adenylyl-3'-5'-phospho-uridine-3'-monophosphate
+C(C[C@@H](C(=O)O)N)CC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H]([C@H](S2)CO)C(=O)O	APV	6-(5-amino-5-carboxy-pentanoylamino)-3-hydroxymethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@]4(=O)O[Mg]O[P@](=O)(O4)N)O)O)N	APW	{5'-o-[(r)-{[(s)-amino(hydroxy-kappao)phosphoryl]oxy}(hydroxy-kappao)phosphoryl]adenosinato(2-)}magnesium
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)[NH2+]CNC2N	APX	2'-monophosphoadenosine-5'-diphosphoribose
+c1ccnc(c1)CN	APY	2-aminomethyl-pyridine
+c1cc2c(cc1N)C(=O)NNC2=O	APZ	4-aminophthalhydrazide
+c1ccc2c(c1)ccc3c2OC(=CC3=O)C4CCC(CC4)N=[N+]=[N-]	AQ0	2-(cis-4-azidocyclohexyl)-4h-naphtho[1,2-b]pyran-4-one
+CCCC1=CC(=O)NC(=N1)Nc2ccccc2F	AQ1	2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3h)-one
+CC(C)c1cc2c(ccnc2[nH]1)c3ccc(cc3)S(=O)(=O)NC4CCS(=O)(=O)CC4	AQ2	n-(1,1-dioxidotetrahydro-2h-thiopyran-4-yl)-4-[2-(1-methylethyl)-1h-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CNc2ccccc2O)C(=O)O)O	AQ3	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-3-[(2-hydroxyphenyl)amino]-d-alanine
+COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C	AQ4	[6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine
+c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5ccncn5	AQ5	(6~{s})-8-(3-pyrimidin-4-yl-1~{h}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)N4CCN(CC4)C5CCCCC5)Nc6ccc(cc6)C(=O)O	AQ6	4-[[4-azanyl-3-(4-cyclohexylpiperazin-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid
+CCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)C(=O)O	AQ7	n-[(3r)-1-propanoylpiperidine-3-carbonyl]-l-alanine
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cccc(c4n3)OC	AQ8	~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{h}-benzimidazol-2-yl)ethanamine
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O	AQ9	1-o-[(8alpha,9beta,10alpha,13alpha)-13-(beta-d-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-d-glucopyranose
+C1=C(O[C@@H]([C@@H]([C@H]1O)O)O)C(=O)O	AQA	4-deoxy-beta-l-threo-hex-4-enopyranuronic acid
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCCN(C)C	AQB	n-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide
+c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)C(=O)N	AQC	9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
+C[C@@H]1[C@@H](CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl	AQD	nemonapride
+c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5nccs5	AQE	2-[4-[(6~{s})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
+CCN(CC)C(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	AQG	4-{[6-(cyclohexylmethoxy)-7h-purin-2-yl]amino}-n,n-diethylbenzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O)O)O)O)N	AQH	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3r,4r,5r,6s)-6-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+CC[C@@H]1[C@@](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O	AQJ	(3r,5r,6s,7s,9r,11e,13s,14r)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+C(C[C@@H](C(=O)O)NCC(=O)O)CN	AQK	(2~{s})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCN6CCN(CC6)C	AQM	n-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide
+c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O	AQN	9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
+c1ccc2c(c1)C(=O)NC(=N2)N	AQO	2-aminoquinazolin-4(3h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N	AQP	adenosine-5'-tetraphosphate
+C[C@H](C(=O)O)N[C@@H](CCCN)C(=O)O	AQQ	(2~{s})-5-azanyl-2-[[(2~{r})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid
+c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)N(CCC[NH3+])CCC[NH3+]	AQS	n,n-bis(3-aminopropyl)-2-anthraquinonesulfonamide
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)OC	AQT	~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{h}-benzimidazol-2-yl)ethanamine
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5ccccc5ncn4	AQU	1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea
+C[C@H]1CC(N(c2c1cccc2)C(=O)CN3C(=O)c4ccccc4C3=O)(C)C	AQV	2-{2-oxo-2-[(4s)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2h)-yl]ethyl}-1h-isoindole-1,3(2h)-dione
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)Cl	AQW	2-(5-chloranyl-1~{h}-benzimidazol-2-yl)-~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine
+Cc1cc(ccc1F)c2c(n3c(n2)cccn3)c4ccnc(c4)NC(=O)c5cc[n+](c(c5)C)[O-]	AQY	n-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide
+Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6	AQZ	n-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylisonicotinamide
+[Ar]	AR	argon
+c1c[n+](ccc1CC(=O)O)C[C@H]([C@H](CCCNC(=[NH2+])N)N)O	AR0	4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-d-erythro-hexitol
+Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)Nc3cn(c(n3)C(=O)NCC[NH+](C)C)C)C)NC=O	AR1	(2-{[4-({4-[(4-formylamino-1-methyl-1h-imidazole-2-carbonyl)-amino]-1-methyl-1h-imidazole-2-carbonyl}-amino)-1-methyl-1 h-imidazole-2-carbonyl]-amino}-ethyl)-dimethyl-ammonium
+[H]/N=C(\N)/NCCC[C@@H](C(=O)c1nc2ccc(cc2s1)C(=O)O)N	AR2	arginyl-benzothiazole-6-carboxylic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	AR3	cytarabine
+C(CC(=O)OC1C(C(C(O1)CO)O)(O)F)C(C(=O)O)N	AR4	2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C	AR5	n~2~-(tert-butoxycarbonyl)-l-arginine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N	AR6	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
+C(C[C@@H](C(O)O)N)CNC(=[NH2+])N	AR7	amino{[(4s)-4-amino-5,5-dihydroxypentyl]amino}methaniminium
+c1cc(c(cc1[N+](=O)O)[N+](=O)O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	AR8	n-{[(1s)-5-{4-[25-({2,4-bis[hydroxy(oxo)ammonio]phenyl}amino)-2,5,8,11,14,17,20,23-octaoxapentacos-1-yl]-1h-1,2,3-triazol-1-yl}-1-carboxypentyl]carbamoyl}-l-glutamic acid
+CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCCCC(=O)N[C@H](C(=O)N1)C)C)O	AR9	(2r,4s)-n-butyl-4-[(2s,5s,7r)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide
+C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	ARA	alpha-l-arabinopyranose
+C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	ARB	beta-l-arabinopyranose
+CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO	ARC	3,7,11,15-tetramethyl-hexadecan-1-ol
+Cc1ccc(s1)[C@@H]/2C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O[C@@H](CC(=O)[C@@H](\C=C(\[C@H]([C@H](C(=O)[C@@H](C[C@@H](\C=C\C=C\C=C2/C)C)C)OC)O)/C)C)[C@H](C)C[C@@H]5CC[C@H]([C@@H](C5)OC)O)O)C	ARD	c15-(r)-methylthienyl rapamycin
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO	ARE	acarbose derived pentasaccharide
+C(=O)N	ARF	formamide
+C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N	ARG	arginine
+C(C[C@@H](C(=O)[O-])[NH-])CNC(=[NH2+])N	ARG_LEO2	l-arginine c-terminal deprotonated fragment
+C(C[C@@H](C(=O)O)[NH-])CNC(=[NH2+])N	ARG_LEO2H	l-arginine c-terminal protonated fragment
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)[NH-]	ARG_LEO2H_DHH12	l-arginine-c-terminal protonated fragment/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH-]	ARG_LEO2H_DHH22	l-arginine-c-terminal protonated fragment/with side chain deprotonated nh2
+C(C[C@@H](C(=O)O)[NH-])CNC(=[NH2+])N	ARG_LEO2H_RNH1	l-arginine-c-terminal protonated fragment/side chain resonance alternate
+[H]/N=C(\N)/NCCC[C@@H](C(=O)[O-])[NH-]	ARG_LEO2_DHH12	l-arginine-c-terminal deprotonated fragment/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H](C(=O)[O-])[NH-]	ARG_LEO2_DHH22	l-arginine-c-terminal deprotonated fragment/with side chain deprotonated nh2
+C(C[C@@H](C(=O)[O-])[NH-])CNC(=[NH2+])N	ARG_LEO2_RNH1	l-arginine-c-terminal deprotonated fragment/side chain resonance alternate
+C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N	ARG_LFOH	l-arginine free neutral
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N	ARG_LFOH_DHH12	l-arginine-free neutral/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N	ARG_LFOH_DHH22	l-arginine-free neutral/with side chain deprotonated nh2
+C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N	ARG_LFOH_RNH1	l-arginine-free neutral/side chain resonance alternate
+C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N	ARG_LFZW	l-arginine free zwitterion
+[H]/N=C(\N)/NCCC[C@@H](C(=O)[O-])[NH3+]	ARG_LFZW_DHH12	l-arginine-free zwitterion/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H](C(=O)[O-])[NH3+]	ARG_LFZW_DHH22	l-arginine-free zwitterion/with side chain deprotonated nh2
+C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N	ARG_LFZW_RNH1	l-arginine-free zwitterion/side chain resonance alternate
+C(C[C@@H]([C-]=O)[NH-])CNC(=[NH2+])N	ARG_LL	l-arginine - linking embedded fragment
+[H]/N=C(\N)/NCCC[C@@H]([C-]=O)[NH-]	ARG_LL_DHH12	l-arginine-linking embedded fragment/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H]([C-]=O)[NH-]	ARG_LL_DHH22	l-arginine-linking embedded fragment/with side chain deprotonated nh2
+C(C[C@@H]([C-]=O)[NH-])CNC(=[NH2+])N	ARG_LL_RNH1	l-arginine-linking embedded fragment/side chain resonance alternate
+C(C[C@@H]([C-]=O)[NH3+])CNC(=[NH2+])N	ARG_LSN3	l-arginine n-terminal protonated fragment
+[H]/N=C(\N)/NCCC[C@@H]([C-]=O)[NH3+]	ARG_LSN3_DHH12	l-arginine-n-terminal protonated fragment/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H]([C-]=O)[NH3+]	ARG_LSN3_DHH22	l-arginine-n-terminal protonated fragment/with side chain deprotonated nh2
+C(C[C@@H]([C-]=O)[NH3+])CNC(=[NH2+])N	ARG_LSN3_RNH1	l-arginine-n-terminal protonated fragment/side chain resonance alternate
+C[C@@H]1C[N@@]1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O	ARH	3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-phenyl-1h-indole-4,7-dione
+C[C@@H]1[C@@H](CC[C@@H](O1)O)OC(=O)C	ARI	(2r,3r,6r)-6-hydroxy-2-methyltetrahydro-2h-pyran-3-yl acetate
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N	ARJ	(2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone
+c1cc(c(cc1[N+](=O)O)[N+](=O)O)NCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	ARK	n-({(1s)-5-[4-({2-[2-({2,4-bis[hydroxy(oxo)ammonio]phenyl}amino)ethoxy]ethoxy}methyl)-1h-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-l-glutamic acid
+C\C(=C/C(=O)O)\C=C\C=C(/C)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C	ARL	7-(3,5-ditert-butylphenyl)-3-methylocta-2,4,6-trienoic acid
+CC(=O)[C@H](CCCNC(=N)N)N	ARM	deoxy-methyl-arginine
+C(CC=N)CC=O	ARN	1-imino-5-pentanone
+C([C@H](CNC(=[NH2+])N)O)[C@@H](C(=O)O)N	ARO	c-gamma-hydroxy arginine
+C[C@H](Cn1cnc2c1ncnc2N)O	ARP	9-hydroxypropyladenine, r-isomer
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@@+](C)(Cc2ccccc2)NC(=O)c3ccccc3)O	ARQ	benzoylamino-benzyl-methyl-[2-hydroxy-3-[1-methyl-ethyl-oxy-n-formamidyl]-4-phenyl-butyl]-ammonium
+[H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)Cl	ARR	n-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
+[As]	ARS	arsenic
+[O-][As](=O)([O-])[O-]	ART	arsenate
+CCN(CC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(P(=O)(O)O)(Br)Br)O)O)O	ARU	5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-n,n-diethyladenosine
+C=CC\[NH+]=C(\N)/NCCC[C@@H](C(=O)O)N	ARV	5-n-allyl-arginine
+CO[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O	ARW	methyl beta-d-arabinopyranoside
+[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	ARX	(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-n-(6-{[(1r)-4-carbamimidamido-1-{[(1r)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide
+C1C2CC3CC1CC(C2)(C3)C(=O)Nc4nnc(s4)S(=O)(=O)N	ARZ	(3s,5s,7s)-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=S)(O)O)O)N	AS	2-deoxy-adenosine -5'-thio-monophosphate
+C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(COC)OC)c5ccc(cc5)\C=N\O	AS0	4-[(11beta,17beta)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl]benzaldehyde oxime
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(CC(=O)O)C(=O)O	AS1	argininosuccinate
+C(C=O)[C@H](C(=O)O)N	AS2	(2r)-2-amino-4-oxobutanoic acid
+CCCc1cc(cc(n1)N)C	AS3	4-methyl-6-propylpyridin-2-amine
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O	AS4	aldosterone
+Cc1ccc(cc1N(c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)C(C)C)CO	AS6	{4-methyl-3-[(1-methylethyl)(2-{[3-(methylsulfonyl)-5-morpholin-4-ylphenyl]amino}pyrimidin-4-yl)amino]phenyl}methanol
+c1cc(ccc1CNC(=O)C[C@@H](C(=O)O)N)C#N	AS7	n4-(4-cyanobenzyl)-l-asparagine
+CC(=O)OS(=O)(=O)O	AS8	acetylsulfate
+C[P@](=O)(N[C@@H](CC(=O)O)C(=O)O)O	AS9	n-[hydroxy(methyl)phosphoryl]-l-aspartic acid
+C([C@@H](C=O)N)C(=O)O	ASA	aspartic aldehyde
+C([C@@H](C(=O)O)N)C(=O)OCC(=O)O	ASB	aspartic acid-4-carboxymethyl ester
+C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O	ASC	ascorbic acid
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	ASD	4-androstene-3-17-dione
+CC(=O)NCCc1c[nH]c2c1cc(cc2)O	ASE	n-acetyl serotonin
+CCCCS(=O)(=O)CCC(=O)O	ASF	3-(butylsulphonyl)-propanoic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O	ASG	2-acetamido-2-deoxy-4-o-sulfo-beta-d-galactopyranose
+c1cc(cnc1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl	ASH	3-chloro-n-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine
+C([C@@H](C(=O)[O-])N)C(=O)O	ASI	l-iso-aspartate
+C([C@@H](CO)N)C(=O)O	ASJ	(3s)-3-amino-4-hydroxybutanoic acid
+CC(=O)[C@H](CC(=O)O)N	ASK	dehydroxymethylaspartic acid
+CC(C(=O)O)OC(=O)CC(C(=O)O)N	ASL	aspartic acid-4-carboxyethyl ester
+c1ccn(c1)C(=O)C[C@@H](C(=O)O)N	ASM	2-amino-4-oxo-4(1h-pyrrol-1-yl)butanoic acid
+C([C@@H](C(=O)O)N)C(=O)N	ASN	asparagine
+C([C@@H](C(=O)[O-])[NH-])C(=O)N	ASN_LEO2	l-asparagine c-terminal deprotonated fragment
+C([C@@H](C(=O)O)[NH-])C(=O)N	ASN_LEO2H	l-asparagine c-terminal protonated fragment
+C([C@@H](C(=O)O)N)C(=O)N	ASN_LFOH	l-asparagine free neutral
+C([C@@H](C(=O)[O-])[NH3+])C(=O)N	ASN_LFZW	l-asparagine free zwitterion
+C([C@@H]([C-]=O)[NH-])C(=O)N	ASN_LL	l-asparagine - linking embedded fragment
+C([C@@H]([C-]=O)[NH3+])C(=O)N	ASN_LSN3	l-asparagine n-terminal protonated fragment
+C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	ASO	1,5-anhydro-d-glucitol
+C([C@@H](C(=O)O)N)C(=O)O	ASP	aspartic acid
+C([C@@H](C(=O)[O-])[NH-])C(=O)O	ASP_LEO2	l-aspartic acid c-terminal deprotonated fragment
+C([C@@H](C(=O)O)[NH-])C(=O)O	ASP_LEO2H	l-aspartic acid c-terminal protonated fragment
+C([C@@H](C(=O)O)[NH-])C(=O)[O-]	ASP_LEO2H_DHD2	l-aspartic acid-c-terminal protonated fragment/with side chain deprotonated od2
+C([C@@H](C(=O)[O-])[NH-])C(=O)[O-]	ASP_LEO2_DHD2	l-aspartic acid-c-terminal deprotonated fragment/with side chain deprotonated od2
+C([C@@H](C(=O)O)N)C(=O)O	ASP_LFOH	l-aspartic acid free neutral
+C([C@@H](C(=O)O)N)C(=O)[O-]	ASP_LFOH_DHD2	l-aspartic acid-free neutral/with side chain deprotonated od2
+C([C@@H](C(=O)[O-])[NH3+])C(=O)O	ASP_LFZW	l-aspartic acid free zwitterion
+C([C@@H](C(=O)[O-])[NH3+])C(=O)[O-]	ASP_LFZW_DHD2	l-aspartic acid-free zwitterion/with side chain deprotonated od2
+C([C@@H]([C-]=O)[NH-])C(=O)O	ASP_LL	l-aspartic acid - linking embedded fragment
+C([C@@H]([C-]=O)[NH-])C(=O)[O-]	ASP_LL_DHD2	l-aspartic acid-linking embedded fragment/with side chain deprotonated od2
+C([C@@H]([C-]=O)[NH3+])C(=O)O	ASP_LSN3	l-aspartic acid n-terminal protonated fragment
+C([C@@H]([C-]=O)[NH3+])C(=O)[O-]	ASP_LSN3_DHD2	l-aspartic acid-n-terminal protonated fragment/with side chain deprotonated od2
+C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O	ASQ	phosphoaspartate
+c1cc(ccc1N)[As](=O)(O)O	ASR	4-aminophenylarsonic acid
+C/C=C/N(C)Cc1cc2cc(ccc2n1C)OCCCC3CCN(CC3)Cc4ccccc4	ASS	(e)-n-methyl-n-[[1-methyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propoxy]indol-2-yl]methyl]prop-1-en-1-amine
+[O-][As]([O-])[O-]	AST	arsenite
+C1[C@@H]([C@H](S[C@@H]1O)COP(=O)(O)O)O	ASU	4'-thio-2'4'-dideoxyribofuranose-5'-phosphate
+C=C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	ASV	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-vinylglycine
+COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C	ASW	n-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide
+*=C(*)C[C@@H](C(=O)O)N	ASX	asp/asn ambiguous
+CCCCC\C=C\CC(=O)CCCCCCCCC(=O)O	ASY	(12e)-10-oxooctadec-12-enoic acid
+CN(C)CCS(=O)(=O)O	ASZ	2-(dimethylamino)ethanesulfonic acid
+CC(C)(C)c1c(c(no1)OCP(=O)(O)O)C[C@@H](C(=O)O)N	AT1	(s)-2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid
+CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C	AT2	ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
+CC(=O)SCC[N+](C)(C)C	AT3	acetylthiocholine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)S)O)O)N	AT4	5'-o-[(r)-hydroxy(thiophosphonooxy)phosphoryl]adenosine
+C[C@@H](C[C@H](C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O)[C@H](CCl)Cl	AT5	3-[(2s,4s,5r)-5,6-dichloro-2,4-dimethyl-1-oxohexyl]-4-hydroxy-5,6-dimethoxy-2(1h)-pyridinone
+Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N	AT6	n-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-4-cyanobenzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)N=[N+]=N)N	AT7	2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-adenine-5'-monophosphate
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cc(c(cc4n3)Cl)Cl	AT8	2-[5,6-bis(chloranyl)-1~{h}-benzimidazol-2-yl]-~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine
+C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F	AT9	[[(2r,3r,4r,5r)-5-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CCNc1nc(nc(n1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)NC(C)C	ATA	atrazine glutathione conjugate
+CN(C)CC(=O)Nc1ccc2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O	ATC	9-(n,n-dimethylglycylamido)-6-deoxy-6-demethyl-tetracycline
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O	ATD	thymidine-3'-phosphate
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C	ATE	16,17-androstene-3-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(F)(F)P(=O)(O)O)O)O)O)N	ATF	phosphodifluoromethylphosphonic acid-adenylate ester
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)S)O)O)N	ATG	phosphothiophosphoric acid-adenylate ester
+C(=C(/[C@H](C(=O)[O-])O)\C(=O)[O-])/C(=O)[O-]	ATH	4-hydroxy-aconitate ion
+CC(C)C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N	ATI	n-(3-amino-2-hydroxy-5-methylhexanoyl)valylvalylaspartic acid
+CCO[P@H](=O)O	ATJ	ethyl hydrogen phosphonate
+c1cc2cnn(c2cc1NC3CCCC3)c4cncc(n4)n5ccc(c5)CC(=O)O	ATK	(1-{6-[6-(cyclopentylamino)-1h-indazol-1-yl]pyrazin-2-yl}-1h-pyrrol-3-yl)acetic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@H]([C@](O2)(CO3)COP(=O)(O)O)O	ATL	[(1s,3r,4s,7r)-7-hydroxy-3-(thymin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-]	ATM	3'-azido-3'-deoxythymidine-5'-monophosphate
+CC(=O)CCl	ATO	chloroacetone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N	ATP	adenosine-5'-triphosphate
+C1CSC(=N1)N	ATQ	2-aminothiazoline
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N	ATR	2'-monophosphoadenosine-5'-diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(C[As](=O)(O)O)O)O)O)N	ATS	gamma-arsono-beta, gamma-methyleneadenosine-5'-diphosphate
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc2nnc(s2)S	ATT	2-[3-(5-mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-n-methyl-3-phenyl-propionamide
+c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)[N+](=O)[O-])CC(=O)N2	ATU	9-nitro-5,12-dihydro-7h-benzo[2,3]azepino[4,5-b]indol-6-one
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)C[C@@H]4CO4	ATV	2-[(2r)-oxiran-2-ylmethyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione
+CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O	ATW	(1-{6-[6-(propan-2-ylamino)-1h-indazol-1-yl]pyrazin-2-yl}-1h-pyrrol-3-yl)acetic acid
+C[C@@H](C(=O)c1nnc(o1)C(C)(C)C)N	ATX	(2s)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)C	ATY	3'-o-acetylthymidine-5'-diphosphate
+CCNc1nc(nc(n1)Cl)NC(C)C	ATZ	2-chloro-4-isopropylamino-6-ethylamino -1,3,5-triazine
+[Au+]	AU	gold ion
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)O)O)O)O)N	AU1	5'-o-[(r)-hydroxy(phosphonoamino)phosphoryl]adenosine
+c1ccc(cc1)c2c(cc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3)Cl	AU2	2-(1~{h}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium
+[Au+3]	AU3	gold 3+ ion
+CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)N	AU4	4,4'-(aminomethylene)bis(n,n-dimethylaniline)
+CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3ncc4c(n3)N(C(=O)N4C)C5CCCC5	AU5	9-cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8h-purin-8-one
+Cc1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O	AU6	3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid
+C[C@@H](c1c(cccc1Cl)C2CC2)Oc3ccc4c(c3)c(c(cn4)/C=C/C(=O)O)C5CC5	AU7	(2e)-3-{6-[(1s)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid
+c1ccc(cc1)c2c(cc(cc2Cl)C[NH3+])Cl	AU8	[3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium
+c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4	AUB	4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid
+C(#N)[Au]C#N	AUC	gold (i) cyanide ion
+CC1=CC(=O)NS(=O)(=O)O1	AUD	acesulfame
+c1cc(cc(c1)Cl)c2c(nc3c(n2)c(nc(n3)N)N)N	AUE	6-(3-chlorophenyl)pteridine-2,4,7-triamine
+CC[P-](CC)(CC)[Au+]	AUF	triethylphosphanuidylgold(1+)
+c1cc(cc(c1)Br)c2c(nc3c(n2)c(nc(n3)N)N)N	AUG	6-(3-bromophenyl)pteridine-2,4,7-triamine
+CCc1ccccc1c2ccc(cc2OC)CNCCc3[nH]c4ccccc4n3	AUH	2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine
+CC1=C(C(=O)c2ccccc2N1)C/C=C(\C)/CC/C=C(\C)/C[C@H](C=C(C)C)O	AUI	3-[(2e,6e,9r)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1h)-one
+Cc1ncc(c(n1)N)C[N]2=C(SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](C)(O)OO	AUJ	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{s})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+CC1=C(C(=O)c2ccccc2N1O)C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	AUK	1-hydroxy-2-methyl-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1h)-one
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/CCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	AUL	2'-deoxy-5-{(1e)-5-[(10-hydroxydecanoyl)amino]pent-1-en-1-yl}uridine 5'-(tetrahydrogen triphosphate)
+C[C@@H](C(=O)Nc1[nH]c(cn1)c2ccc(cc2)Br)Oc3ccc(cc3)c4cn(cn4)C	AUN	(2~{s})-~{n}-[5-(4-bromophenyl)-1~{h}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O	AUO	(8alpha,9beta,10alpha,13alpha)-13-{[beta-d-glucopyranosyl-(1->2)-[beta-d-glucopyranosyl-(1->3)]-beta-d-glucopyranosyl]oxy}kaur-16-en-18-oic acid
+c1ccc(cc1)p2c(c3c(c2c4ccccn4)CCCC3)c5ccccn5	AUP	2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2h-isophosphindol-1-yl)pyridine
+C[C@@H](C(=O)Nc1ccc(cc1)I)Oc2ccc(cc2)OC	AUQ	(2~{s})-~{n}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
+CC[C@@H]1[C@]2([C@H]([C@@](O1)([C@H]([C@@H](O2)\C=C\C=C\C=C\C3=C(C(=CC(=O)O3)OC)C)O)C)OC(=O)C)C	AUR	aurovertin b
+CCc1ccccc1c2c(cc(cc2Cl)CN)Cl	AUT	[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine
+C1CC2C[C@H]1[C@@](C2)(C(=O)O)N	AUU	(1s,2s,4r)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
+c1ccc(c(c1)c2cccc(c2)C(=O)O)O	AUV	3-(2-hydroxyphenyl)benzoic acid
+CCc1ccccc1c2c(cc(cc2Cl)CNCCc3[nH]c4ccccc4n3)Cl	AUW	2-(1~{h}-benzimidazol-2-yl)-~{n}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine
+C[C@H](C/C=C/CCC[n+]1cccc2c1cccc2)[C@H]([C@@H](C(=O)O)NC)O	AUX	4-methyl-4-[8-quinolinium-4-ene]-4,n-methyl-threonine
+Cc1cc(sc1)CNc2cnccc2C(=O)O	AUY	3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
+Cc1cccc-2[n+]1[Au]3([n+]4c2cccc4C)O[Au]5(O3)[n+]6c(cccc6-c7[n+]5c(ccc7)C)C	AUZ	bis(m2-oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii)
+CCCCCCCCCCC(CCCCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O	AV0	2-decyl-2-{[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]methyl}dodecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)N	AV1	[(2r,3s,4r,5r)-5-(6-amino-8-bromo-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[V](=O)(O4)O)N	AV2	adenosine-5'-diphosphate-2',3'-vanadate
+CC1=Nc2ccc(c(c2C1)F)Oc3c4cc(c(cc4ncn3)OCCCN5CCCC5)OC	AV3	4-[(4-fluoro-2-methyl-3h-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline
+CN(C)c1cccc(c1)c2cccc(c2)C(=O)O	AV4	3-[3-(dimethylamino)phenyl]benzoic acid
+CC1=Nc2c(c3ccccc3nc2c4ccc(cc4)Cl)C(=O)N1CC(=O)O	AV5	2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
+c1cc2cccc3c2c(c1)NC(N3)c4ccc(c(c4)O)O	AV6	4-(2,3-dihydro-1h-perimidin-2-yl)benzene-1,2-diol
+CC(=O)Nc1cccc(c1)c2cccc(c2)C(=O)O	AV7	3-(3-acetamidophenyl)benzoic acid
+CC1=C/C(=N\C(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)/NO1	AV9	tivozanib
+c1ccnc(c1)c2cccc(c2)C(=O)O	AVA	3-pyridin-2-ylbenzoic acid
+c1cc(ncc1Br)NC(=O)[C@@H]2CCCNC2	AVB	(3~{r})-~{n}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[V@@](=O)(O4)O)N	AVC	adenosine-5'-monophosphate-2',3'-vanadate
+c1ccc(c(c1)C(=O)O)N2C=C(C(=O)c3c2cc(c(c3)Nc4c(cc(cc4Cl)F)F)Cl)C(=O)O	AVD	1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(c(cc1C(=O)O)OC(F)(F)F)NC(=O)NC(=O)c2cc(c(cc2Cl)F)F	AVE	4-[3-(2-chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid
+c1cc(c(cc1F)NC(=O)NC(=O)c2cc(c(cc2Cl)F)F)N3CCC(CC3)C(=O)O	AVF	1-{2-[3-(2-chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid
+C(COCCN)[C@@H](C(=O)O)N	AVG	2-amino-4-(2-amino-ethoxy)-butyric acid
+C=C[C@@H]1CCC([C@@H](C1)O)O	AVH	(1r,2r,4r)-4-ethenylcyclohexane-1,2-diol
+CN(C)[C@@H](Cc1c[nH]cn1)C(=O)O	AVI	n,n-dimethyl-l-histidine
+C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O	AVJ	n,n,n-trimethyl-histidine
+c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]ccn3	AVK	~{n}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{h}-imidazol-2-yl)ethanamine
+CC(C)c1c(c2ccccn2n1)C(=O)C(C)C	AVL	2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
+CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3ccc4cccnc4c3	AVM	3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid
+C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N	AVN	(2s)-amino[(5s)-3-chloro-4,5-dihydroisoxazol-5-yl]acetic acid
+c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCCC2	AVO	pyrrolidinohistidine
+c1nc2c(n1COCCO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N	AVP	acyclovir triphosphate
+Cc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O	AVQ	2-[(2,5-dichlorobenzyl)sulfanyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
+C[C@H](C(=O)c1c2ccccn2nc1C(C)C)N	AVR	(2r)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
+CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)OC)F)C(=O)N1CC(=O)O	AVT	2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@@H](CO4)F)O)O)O)N	AVU	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4r)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)F)N	AVV	[(2r,3s,4r,5r)-5-(6-amino-2-fluoro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)F)O)O)O)N	AVW	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4s)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+Cn1c(cc(n1)c2cc3c(c(c2)Br)OCO3)N	AVX	3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-5-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3	AVY	(1r,2s)-2-{[n-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3c[nH]cn3	AVZ	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{h}-imidazol-4-yl)ethyl]azanium
+Cc1ccc(cc1)NC(=O)NCCC[N@](C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(C)C	AW0	5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine
+CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	AW1	5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine
+CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(c4c3ncnc4N)Br)O)O	AW2	5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(c4c3ncnc4N)Br)O)O	AW3	5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCCc2cccc(c2)Cl	AW4	(1s,2s)-2-[(n-{[2-(3-chlorophenyl)ethoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+Cc1cc(cc(c1)O)C(=O)O	AW5	3-methyl-5-oxidanyl-benzoic acid
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccc(cc4)Cl	AW6	4-chloro-n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide
+c1cnc(nc1)Oc2ccc(cc2)c3cc[nH]n3	AW7	2-[4-(1~{h}-pyrazol-3-yl)phenoxy]pyrimidine
+CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)Cl)F)[C@H](N1CC(=O)O)O	AW8	2-[(1~{r})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{h}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
+COC(=O)C=CC(=O)O	AW9	(2z)-4-methoxy-4-oxobut-2-enoic acid
+COc1ccc(cc1)[C@H]2CC(=NC(=O)N2)C(=O)O	AWA	(6~{r})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{h}-pyrimidine-4-carboxylic acid
+CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C	AWB	[(2r,3s,6s,7r,8r)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate
+c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)O)O	AWC	2'-deoxy-5'-o-[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine
+CN1CCN(CC1)C(=O)Nc2ccc(cc2)F	AWD	~{n}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide
+c1cc(cc(c1)F)c2ccc(cc2Cl)CN	AWE	[3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine
+Cc1c(sc(n1)C(C)(C)O)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F	AWF	2-(5-(6-amino-5-((r)-1-(5-fluoro-2-(2h-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol
+c1ccc(c(c1)N)Nc2[nH]c3ccccc3n2	AWG	~{n}2-(1~{h}-benzimidazol-2-yl)benzene-1,2-diamine
+CN\1C(=O)/C(=C/c2ccccc2OCC(=O)O)/S/C1=N\c3cccc(c3)C(=O)O	AWH	3-[(z)-[(5z)-5-[[2-(2-hydroxy-2-oxoethyloxy)phenyl]methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid
+Cc1c(sc(n1)[C@@](C)(CO)O)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3N4NC=CN4)F	AWJ	(2r)-2-[5-(6-amino-5-{(1r)-1-[2-(1,3-dihydro-2h-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(cccc4n3)C	AWK	~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{h}-benzimidazol-2-yl)ethanamine
+Cc1ccc(cc1N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)Cl	AWL	1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone
+CN1CCN(CC1)c2nc3ccccc3s2	AWM	2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
+c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]c4ccccc4n3	AWN	2-(1~{h}-benzimidazol-2-yl)-~{n}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine
+CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(ncn4)N5C=CN(C=C5)CC	AWO	n-(5-ethyl-1,2-oxazol-3-yl)-n'-[4-(2-{[6-(4-ethylpyrazin-1(4h)-yl)pyrimidin-4-yl]amino}-1,3-thiazol-5-yl)phenyl]urea
+c1cnccc1CCNC(=O)NC2CCCCC2	AWP	1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea
+Cc1c(c(c([nH]1)C)CC(=O)O)CCC(=O)O	AWQ	3-[4-(2-hydroxy-2-oxoethyl)-2,5-dimethyl-1~{h}-pyrrol-3-yl]propanoic acid
+COc1ccc2c3ccnc(c3n(c2c1)CCCCN)C(F)(F)F	AWR	4-(7-methoxy-1-(trifluoromethyl)-9h-pyrido[3,4-b]indol-9-yl)butan-1-amine
+CC1=CC(=O)Oc2c1ccc(c2CN(C)C)O	AWS	8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)c4c[nH]nc4)OC)OC	AWT	6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[3-(1~{h}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine
+C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O	AWU	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+c1ccc2c(c1)c(c[nH]2)CN3CCCCCC3	AWV	3-(azepan-1-ylmethyl)-1~{h}-indole
+Cc1nc2c(c(n1)N[C@H](C)c3ccc(s3)c4ccccc4CO)CC(=C(C2)OC)OC	AWW	[2-[5-[(1~{r})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol
+Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)CNC(=O)C=C)C(=O)NN=C4N)C	AWX	n-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2h-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide
+CC(=O)NCCc1cccc2c1cc(cc2)OC	AWY	~{n}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccc(s3)c4cnc5n4CCC5)OC)OC	AWZ	~{n}-[(1~{r})-1-[5-(6,7-dihydro-5~{h}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
+Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)NC(=O)C=C)C(=O)NN=C4N)C	AX0	n-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2h-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide
+c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2	AX1	2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1(nc(nc(n1)N)N)N	AX2	1,3,5-triazine-2,4,6-triamine
+C1CC1Nc2nc(nc(n2)N)N	AX3	n~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine
+Cc1ccc(cc1)Sc2cc(nc(n2)N)N	AX4	6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine
+c1ccc(cc1)CSc2cc(nc(n2)N)N	AX5	6-(benzylsulfanyl)pyrimidine-2,4-diamine
+COc1ccc(cc1)CSc2cc(nc(n2)N)N	AX6	6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine
+c1ccc2c(c1)[nH]c(n2)N	AX7	1h-benzimidazol-2-amine
+c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N	AX8	1-(3,4-dichlorobenzyl)-1h-benzimidazol-2-amine
+c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CCC[C@H]5CC(=O)N)C(=O)N3)NC(=O)CO2	AXA	(5s)-5-(2-amino-2-oxoethyl)-4-oxo-n-[(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide
+c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CS(=O)(=O)CC5)C(=O)N3)C[N@@](CC2)C6=C(C(=O)C6=O)N	AXB	n-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4h-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide
+Cc1nc2c3ccccc3nc(n2n1)SCc4[nH]c5ccccc5n4	AXC	5-(1h-benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
+CC1(CCN(CC1)c2cc(ccn2)C(=O)O)NCC(=O)N3[C@@H](CC[C@@H]3C#C)CN	AXD	2-[4-({2-[(2s,5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]isonicotinic acid
+C[C@H](c1cccc2c1cccc2)Nc3c4cc(c(cc4ncn3)OC)OC	AXE	6,7-dimethoxy-~{n}-[(1~{r})-1-naphthalen-1-ylethyl]quinazolin-4-amine
+CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1CSC\C=C\CS[C@H]2CCCN[C@H]2C(=O)N[C@H](C(=O)N1)C)O	AXF	(2r,4s)-n-butyl-4-hydroxy-2-methyl- 4-((e)-(4as,12r,15s,17as)-15-methyl -14,17-dioxo-2,3,4,4a,6,9,11,12,13, 14,15,16,17,17a-tetradecahydro-1h-5 ,10-dithia-1,13,16-triaza-benzocycl opentadecen-12-yl)-butyramide
+c1ccc(cc1)CN2CCC(CC2)n3cccc3	AXG	1-(phenylmethyl)-4-pyrrol-1-yl-piperidine
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cs3)c4ccccc4CNC)OC)OC	AXH	6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
+CNC(=O)c1ccccc1Sc2ccc3c(c2)n[nH]c3/C=C/c4ccccn4	AXI	axitinib
+CC1([C@H]2CC=C([C@@H]1C2)CN3CCC[C@@H]3CO)C	AXJ	[(2~{r})-1-[[(1~{r},5~{s})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol
+c1cc(cc(c1)[C@H](c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)[C@@H](O)P(=O)(O)O	AXK	[(~{s})-[4-[3-[(~{r})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccc(cc2)O)N)C(=O)O)C	AXL	2-{1-[2-amino-2-(4-hydroxy-phenyl)-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid
+C1C2CC3CC1CC(C2)(C3)CC(=O)NO	AXM	n-hydroxy-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
+CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCCC4)N(C(=O)C(=O)N3C)C	AXN	~{n}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
+C/C=N/O	AXO	(1e)-n-hydroxyethanimine
+CC(=O)N[C@@H]1[C@H](C[C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O	AXP	(1s)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-d-glycero-d-galacto-octitol
+CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@@H]([C@@H]1CSC\C=C\CSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)OC(C)(C)C)O	AXQ	{(e)-(3r,6s,9r)-3-[(1s,3r)-3-((s)-1 -butylcarbamoyl-2-methyl-propylcarb amoyl)-1-hydroxy-butyl]-6-methyl-5, 8-dioxo-1,11-dithia-4,7-diaza-cyclo pentadec-13-en-9-yl}-carbamic acid tert-butyl ester
+CO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O	AXR	methyl alpha-d-arabinofuranoside
+c1cc(ccc1CNC[C@H]2CCCO2)F	AXS	1-(4-fluorophenyl)-~{n}-[[(2~{r})-oxolan-2-yl]methyl]methanamine
+CC1=C(C(C[C@@H](C1=O)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C	AXT	astaxanthin
+Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccccc5)C(=O)NN=C4N)C	AXU	4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{h}-pyrazolo[3,4-d]pyridazin-7-one
+c1ccc2c(c1)[nH]c(n2)NC#N	AXV	1~{h}-benzimidazol-2-ylcyanamide
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3F	AXW	6-{[(3s,4s)-4-{2-[(2-fluorobenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C1CCc2c(c(c(s2)NC(=O)C3CC3)C(=O)N)C1	AXX	2-[(cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)Oc3ccc(cc3)c4ccccc4	AXY	(2s)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid
+c1cc(ccc1CCN)S(N[C@@H](CO)C(=O)O)(O)O	AXZ	2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid
+CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2ccc(cc2)OP(=O)(O)O	AY0	(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid
+CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)C(C)C	AY1	[(2r,3s,6s,7r,8r)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate
+CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)C(=O)C	AY2	~{n}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
+c1c[nH]nc1c2cc(cc(c2O)F)F	AY4	2,4-bis(fluoranyl)-6-(1~{h}-pyrazol-3-yl)phenol
+c1cc(cc(c1)[C@@H](c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)[C@@H](O)P(=O)(O)O	AY5	[(~{s})-[4-[3-[(~{s})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid
+Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)Cl	AY6	5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-n-(piperidin-1-yl)-1h-pyrazole-3-carboxamide
+c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4ccn[nH]4)OC(F)(F)Cl	AY7	asciminib
+c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2cccc(c2O)C3CCCCC3	AY8	[[3-(3-cyclohexyl-2-oxidanyl-phenyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid
+C1C(=O)C(=C[C@H](O1)CO)O	AY9	ascopyrone m
+C[C@@H](C(=O)O)NC(=O)C	AYA	n-acetylalanine
+CCCOC(=O)NCCCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	AYB	5'-o-[(s)-({(2s)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine
+C[C@H](C(=O)CCC(=O)O)NC(=O)C	AYC	alaremycin 2
+Cc1ncc(c(n1)N)CN/C(=C/CCO[P@@](=O)(O)OP(=O)(O)O)/C	AYD	4-{[(4'-amino-2'-methylpyrimidin-5'-yl)methyl]amino}pent-3-enyl diphosphate
+C=CCN	AYE	prop-2-en-1-amine
+C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N	AYG	[(4e)-2-[(1s)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(=O)C)O	AYH	(1r,3s)-3-[1-(acetylamino)-1-methylethyl]-n-[(1s,2s,4r)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O	AYI	(1r,2s,3r,1s',1s")phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester
+CS(=O)(=O)N(CC(=O)N)C1CCCCC1	AYJ	2-[cyclohexyl(methylsulfonyl)amino]ethanamide
+CC(C)NC(=O)C[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O	AYK	(3~{s})-3-[(1~{s},3~{a}~{s},4~{e},7~{a}~{s})-7~{a}-methyl-4-[(2~{z})-2-[(5~{s})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-3-oxidanyl-~{n}-propan-2-yl-butanamide
+c1cc(ccc1CCCO[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	AYL	5'-o-{(s)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine
+Cn1c2ccccc2cc1CN(C)C(=O)\C=C\c3ccc(nc3)N	AYM	3-(6-aminopyridin-3-yl)-n-methyl-n-[(1-methyl-1h-indol-2-yl)methyl]acrylamide
+c1ccc2c(c1)cc(n2c3cccc(c3)C(F)(F)F)C(=O)N	AYN	1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
+CC(C)(C)Cc1cc(no1)c2c(c(no2)[C@@H](CCC(=O)O)CC(=O)Nc3ccc(cc3Cl)Cl)C4CC4	AYO	(4s)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid
+CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)c2ccc(cc2)OP(=O)(O)O	AYQ	n~2~-({(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-d-glutaminyl-d-aspartamide
+c1cc2c(cc1/C=C/C=C/C(=O)N3CCCCC3)OCO2	AYR	(2e,4e)-5-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
+c1ccc(c(c1)C(=O)N)Nc2ccc(cc2)Cl	AYS	2-[(4-chlorophenyl)amino]benzamide
+CC(C)CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O	AYT	(1~{s},3~{z})-3-[(2~{e})-2-[(1~{s},3~{a}~{s},7~{a}~{s})-7~{a}-methyl-1-[(2~{s})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)O)O)O)N	AYU	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4s,5s,6r)-6-[(1s)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+CC(CO)(CO)NC(=O)Nc1ccccc1	AYV	1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea
+Cc1cc(cc2c1C(=O)CO2)O	AYW	4-methyl-6-oxidanyl-1-benzofuran-3-one
+c1cc(cc(c1)[N+](=O)[O-])NC(=O)Nc2ccc(cc2)S(=O)(=O)N	AYX	4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide
+c1cc(cc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F)CCC(=O)O	AYZ	3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid
+CCOC(=O)[C@H](CC(=O)N(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O	AZ0	ethyl (5s,8s,14s)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate
+C(CCCC(=O)O)CCCC(=O)O	AZ1	azelaic acid
+CCO[C@@H](Cc1ccc(cc1)OCCc2ccc(cc2)OS(=O)(=O)C)C(=O)O	AZ2	(2s)-2-ethoxy-3-[4-(2-{4-[(methylsulfonyl)oxy]phenyl}ethoxy)phenyl]propanoic acid
+[H]/N=C(/N)\c1ccc(cc1)OCCCCCCCOc2ccc(cc2)/C(=N\[H])/N	AZ3	4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide
+c1c(cnc(n1)N2CCN(CC2)S(=O)(=O)C[C@H](CCc3ncc(cn3)F)N(C=O)O)OCC(F)(F)F	AZ4	n-[(2s)-4-(5-fluoropyrimidin-2-yl)-1-({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)butan-2-yl]-n-hydroxyformamide
+Cc1cc([nH]n1)Nc2c(cnc(n2)N[C@@H](C)c3ncc(cn3)F)Cl	AZ5	5-chloro-n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(5-methyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine
+C[C@]1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCN(CC2)c3ncc(cn3)OCc4cccc(c4)C#N	AZ6	3-[({2-[4-({[(4s)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}sulfonyl)piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]benzonitrile
+c1cc(ccc1[C@@H](Cc2[nH]c3c(n2)cc(cc3Cl)Cl)CC(=O)O)Cl	AZ7	(3s)-3-(4-chlorophenyl)-4-(5,7-dichloro-1h-benzimidazol-2-yl)butanoic acid
+c1nc2c(nn1)NC(=O)NC2=O	AZ8	pyrimido[5,4-e][1,2,4]triazine-5,7(6h,8h)-dione
+CN1C(=O)c2c(nncn2)NC1=O	AZ9	6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6h,8h)-dione
+c12c([nH]nn1)NC(=O)NC2=O	AZA	8-azaxanthine
+CC(C)c1ccc(cc1)/N=N/c2ccc(cc2)O	AZB	4-{(e)-[4-(propan-2-yl)phenyl]diazenyl}phenol
+CC(=O)NC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	AZC	n-(acetylcarbamoyl)-beta-d-glucopyranosylamine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-]	AZD	3'-azido-3'-deoxythymidine-5'-diphosphate
+C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C	AZE	all-trans axerophthene
+C1[C@H]([C@@H]([C@H](NN1)CO)O)O	AZF	azafagomine
+c12c(nc(nc1O)N)nn[nH]2	AZG	5-amino-1h-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
+C(CN=[N+]=N)[C@@H](C(=O)O)N	AZH	azidohomoalanine
+[N-]=[N+]=[N-]	AZI	azide ion
+CCOC(=O)c1cc(c(nc1C)N2CCC(CC2)C(=O)NS(=O)(=O)Cc3ccccc3)C#N	AZJ	ethyl 6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyano-2-methylpyridine-3-carboxylate
+C(CCN=[N+]=[N-])C[C@@H](CO)N	AZK	(s)-2-amino-6-azidohexanoic acid
+CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NNCCCCN	AZL	1-ethoxycarbonyl-d-phe-pro-2(4-aminobutyl)hydrazine
+CC(=O)Nc1nnc(s1)S(=O)(=O)N	AZM	5-acetamido-1,3,4-thiadiazole-2-sulfonamide
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O	AZN	alizarin red
+CO\C=C(/c1ccccc1Oc2cc(ncn2)Oc3ccccc3C#N)\C(=O)OC	AZO	methyl (2z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate
+CCOC(=O)[C@H](CC(=O)N(CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)O	AZP	(5s,8s,14r)-ethyl 11-(3-amino-3-oxopropyl)-8-benzyl-14-hydroxy-5-isobutyl-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate
+CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C	AZQ	azapropazone
+C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NS(=O)(=O)O	AZR	2-({[(1z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2s,3s)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid
+C([C@@H](C(=O)O)N)OC(=O)C=[N+]=[N-]	AZS	o-diazoacetyl-l-serine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-]	AZT	3'-azido-3'-deoxythymidine-5'-triphosphate
+CC(C)(C)COC(=O)CSC1=NNC(=O)NC1=O	AZU	2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{h}-1,2,4-triazin-6-yl]sulfanyl]ethanoate
+CC(C)[C@H](C(=O)O)Nc1ccc(cc1)CNC(=O)C2N(CCS2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N	AZV	n-(4-{[({(2r)-3-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-d-valine
+c1cc(ccc1CO)/N=N/c2ccc(cc2)COP(=O)(O)O	AZW	4-{(e)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate
+C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2ccc(cc2)C(=O)N(C)C)(C(F)(F)F)O	AZX	4-[(3-chloro-4-{[(2r)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino}phenyl)sulfonyl]-n,n-dimethylbenzamide
+c1cc(c(cc1C[C@@H](C(=O)O)N)N=[N+]=[N-])O	AZY	3-azido-l-tyrosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]	AZZ	3'-azido-3'-deoxythymidine
+CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccccc3	B00	2-amino-3-methyl-6-[(1s,2r)-2-phenylcyclopropyl]pyrimidin-4(3h)-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccn3)Cl)N	B01	d-phenylalanyl-n-[(4-chloropyridin-2-yl)methyl]-l-prolinamide
+Cc1cccc(c1)c2ccc(cc2)[C@@H]3C[C@@H]3C4=CC(=O)N(C(=N4)N)C	B02	2-amino-3-methyl-6-[(1s,2r)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3h)-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccn3)N	B03	d-phenylalanyl-n-(pyridin-2-ylmethyl)-l-prolinamide
+C[n+]1ccccc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	B04	d-phenylalanyl-n-[(1-methylpyridinium-2-yl)methyl]-l-prolinamide
+c1ccc(cc1)COc2ccccc2NC(=O)c3cccc(c3)[N+](=O)[O-]	B05	n-[2-(benzyloxy)phenyl]-3-nitrobenzamide
+c1cc(cc(c1)N2Cc3cccc(c3C2=O)C(=O)O)C(F)(F)F	B06	3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{h}-isoindole-4-carboxylic acid
+B(CNC(=O)c1c(cccc1OC)OC)(O)O	B07	2,6 dimethoxybenzamidoboronic acid
+c1ccc(cc1)c2cccc(c2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O	B08	(1-hydroxy-1-phosphono-2-[1,1';3',1'']terphenyl-3-yl-ethyl)-phosphonic acid
+CONS(=O)(=O)c1ccccc1	B09	n-methoxybenzenesulfonamide
+c1ccc(cc1)OCC(=O)NC2CCCCC2	B0A	~{n}-cyclohexyl-2-phenoxy-ethanamide
+CC(=CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O)C	B0B	(1~{s},3~{z})-3-[(2~{e})-2-[(1~{s},3~{a}~{s},7~{a}~{s})-7~{a}-methyl-1-[(2~{s})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)NC(=O)CN3CCN(CC3)C	B0C	n-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide
+C([C@]1([C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)F)O	B0D	(2r,3s,4r,5r,6r)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol
+c1ccc2c(c1)-c3c(cc(cc3OC2=O)O)O	B0E	1,3-bis(oxidanyl)benzo[c]chromen-6-one
+Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C)NC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7	B0F	(4r)-3-[(2s,3s)-3-[2-[4-[5-[(3as,4s,6ar)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+c1ccc(cc1)COC(=O)N2CCC(CC2)O	B0G	(phenylmethyl) 4-oxidanylpiperidine-1-carboxylate
+Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3C[C@@H](C[C@@H](C3)C)C	B0H	~{n}-[4-[[(3~{s},5~{r})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
+Cc1cccc(c1)c2cccc(c2)C	B0I	3,3'-dimethyl-1,1'-biphenyl
+CC1(C[C@H](CCO1)NCc2ccc(cc2)O)C	B0J	4-[[[(4~{s})-2,2-dimethyloxan-4-yl]amino]methyl]phenol
+c1nc2c(n1CCCN)c(c(c(c2Br)Br)Br)Br	B0K	3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine
+C/C=C/C=C/CCC[C@H](C)C(=O)C1=C(C(=CNC1=O)c2ccccc2)O	B0L	4-hydroxy-3-[(2s,6e,8e)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1h)-one
+CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2	B0M	1~{h}-indol-6-yl-(4-methylpiperazin-1-yl)methanone
+Cn1c2cc(ccc2nn1)Cc3cccc(c3)CO	B0N	[3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol
+C/C=C/[C@@H]1[C@H]2CCC[C@@H]([C@H]2C3=C(O1)C(=CNC3=O)c4ccccc4)C	B0O	(6r,6as,10s,10ar)-10-methyl-4-phenyl-6-[(1e)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1h-[2]benzopyrano[4,3-c]pyridin-1-one
+Cn1c2cc(ccc2nn1)NC(=O)c3nccn3Cc4ccccc4	B0Q	~{n}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c([nH]nc3nc2)OC)F	B0R	2,6-difluoro-n-(3-methoxy-2h-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide
+B(CCCCCCCCCCCCC)(O)O	B0S	tridecylboronic acid
+CC[C@H](C)NC(=O)c1ccccc1CN(C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O	B0T	(2s)-6-[[[2-[[(2s)-butan-2-yl]carbamoyl]phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+C(COCCOCCOCCN)C(=O)O	B0U	3-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]propanoic acid
+Cc1cc(c(c(c1)C)NC(=O)COC)C	B0V	2-methoxy-~{n}-(2,4,6-trimethylphenyl)ethanamide
+c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O	B0W	4-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{h}-1,2,4-triazol-3-yl]benzoic acid
+Cc1ccc(c(n1)C)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C	B0X	3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
+CCc1ccc(s1)C(=O)NCc2cnn(c2)C	B0Y	5-ethyl-~{n}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
+c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(F)(F)F	B0Z	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
+CC(C)(C)c1cc(c(c(c1)NS(=O)(=O)C)OC)NC(=O)Nc2ccc(c3c2cccc3)c4ccc(nc4)CN5CCOCC5	B10	n-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide
+c1ccc(c(c1)CNC2CCN(CC2)S(=O)(=O)Nc3cccc(c3)Oc4ccc(cc4)F)O	B11	n-[3-(4-fluorophenoxy)phenyl]-4-[(2-hydroxybenzyl)amino]piperidine-1-sulfonamide
+Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O	B12	cobalamin
+CC1=C2[C@@]([C@@H](C3=CC4C([C@@H](C5=C(C6[C@]([C@H]([C@H]7N6[Co](N45)(N32)N8C1[C@H]([C@]([C@]78C)(C)CC(=O)N)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@@](=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)O)CO)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N	B13	5-hydroxybenzimidazolylcob(iii)amide
+c1cc(ncc1C(=O)N2CCC3(CC2)Nc4c(ccc(c4C(=N3)N)F)F)C#N	B14	1-(6-cyano-3-pyridylcarbonyl)-5',8'-difluorospiro[piperidine-4,2'(1'h)-quinazoline]-4'-amine
+c1cc(ccc1CCNC(=O)c2ccc(cc2)CN3CC(=O)O[Cu]OC(=O)C3)S(=O)(=O)N	B15	[2,2'-({4-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonyl]benzyl}imino)diacetato(2-)-kappao]copper
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O	B16	1,6-di-o-phosphono-beta-d-glucopyranose
+c1cc(ccc1C(=O)NCCOCCOCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N	B17	{1-[4-(aminosulfonyl)phenyl]-11-[(carboxy-kappao)methyl]-1-oxo-5,8-dioxa-2,11-diazatridecan-13-oato(2-)-kappao~13~}copper
+C[C@H]1CNC(=O)c2c1c3cc(ccc3[nH]2)C(=O)Nc4nc(cs4)C(=O)NCCN(C)C	B18	(4r)-n-[4-({[2-(dimethylamino)ethyl]amino}carbonyl)-1,3-thiazol-2-yl]-4-methyl-1-oxo-2,3,4,9-tetrahydro-1h-beta-carboline-6-carboxamide
+CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNS(=O)(=O)N)C	B19	n-{[(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl}sulfamide
+CC(=O)Nc1ccc(cc1)Nc2ccccc2	B1A	~{n}-(4-phenylazanylphenyl)ethanamide
+CC(C)C[C@@H](C(=O)NO)NC(=O)NCc1ccccc1Cl	B1B	(2s)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O	B1C	n-(tert-butoxycarbonyl)-l-tyrosine
+Cc1ccc(cc1Nc2ccc3c(c2)C(=O)N(C=N3)C)NC(=O)c4cccc(c4)C(C)(C)C#N	B1E	3-(2-cyanopropan-2-yl)-n-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide
+B([C@H](Cc1ccccc1)N)(O)O	B1F	phenylalanine boronic acid
+c1cc(ccc1c2nc([nH]n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[N+](=O)O	B1H	(1s)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1h-1,2,4-triazol-5-yl)-d-glucitol
+c1cc(cc(c1)F)N2CCC[C@H](C2)Nc3cc(ncn3)N4CCOCC4	B1I	n-[(3r)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine
+c1cc(ccc1n2cc(nn2)CO)Cl	B1J	[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol
+COc1ccc(cc1)c2[nH]nc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	B1K	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
+c1cc(ccc1C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c3ccc(cc3)O)O	B1L	3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-hydroxybenzoate
+CC1=C2[C@]([C@H](C3=[N+]2[Co]45[N+]6=C1[C@H](C(C6=CC7=[N+]4C(=C(C8=[N+]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@](=O)([OH-])O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO	B1M	co-5-methoxybenzimidazolylcobamide
+c1cc(ccc1c2nc([nH]n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	B1N	(1s)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1h-1,2,4-triazol-5-yl]-d-glucitol
+Cc1ccc(c(n1)C)Oc2ccc3c(c2F)n(c(n3)COc4cccc(c4)C(=O)O)C	B1O	3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
+C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O	B1P	2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranose
+COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)N4C[C@H](CC4=O)CF)N	B1Q	(4s)-1-[(2s,3s,11bs)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)C34C5=C6[Ru]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2	B1R	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2	B1S	(1r,2s)-2-({n-[(benzyloxy)carbonyl]-l-leucyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl	B1T	2,2'-sulfanediylbis(4,6-dichlorophenol)
+c1ccc(c(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[N+](=O)[O-]	B1U	5'-o-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine
+c1c(nc(nc1O)SCC(=O)N2CCCCC2)C(F)(F)F	B1V	2-[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]-6-(trifluoromethyl)pyrimidin-4-ol
+c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N	B1W	(2~{s},3~{r},4~{r},5~{s},6~{r})-2-[5-(4-aminophenyl)-4~{h}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
+c1cc(cc(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C#N	B1X	5'-o-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine
+C1CNC(=O)[C@@H]1C[C@@H]([C@H](O)S(=O)(=O)O)N	B1Y	(1r,2s)-2-amino-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+Cc1cc2c(cc1C)N3C=[N]2[Co]456([N]7=C8C(=C9[N]4=C(C=C1[N]5=C(C(=C2N6C(C7C(C8(CCC(=O)NCC(OP(=O)(OC4C(OC3C4O)CO)O)C)C)CC(=O)N)(C(C2CCC(=O)N)(C)CC(=O)N)C)C)C(C1CCC(=O)N)(C)CC(=O)N)C(C9CCC(=O)N)(C)C)C)CC1C(C(C(O1)n1cnc2c1ncnc2N)O)O	B1Z	adenosylcobalamin
+c1cc2c(c(c1)F)C(=N[C@@H](N2)c3cccs3)N	B2	(2r)-5-fluoro-2-(2-thienyl)-1,2-dihydroquinazolin-4-amine
+B1C=CC=CN1	B20	1,2-dihydro-1,2-azaborinine
+COc1ccccc1c2ccc(o2)C(=O)O	B21	5-(2-methoxyphenyl)-2-furoic acid
+c1cc(cc(c1)NC(=O)CN2CC(=O)O[Cu]OC(=O)C2)C(=O)NCCc3ccc(cc3)S(=O)(=O)N	B22	[2,2'-{[2-({3-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonyl]phenyl}amino)-2-oxoethyl]imino}diacetato(2-)-kappao]copper
+c1ccc(c(c1)c2ccc(o2)C(=O)O)[N+](=O)[O-]	B23	5-(2-nitrophenyl)-2-furoic acid
+B1C=CC=CN1CC	B24	1-ethyl-1,2-dihydro-1,2-azaborinine
+[H]/N=C(/c1cc2cc(ccc2[nH]1)[N+](=O)[O-])\N	B25	5-nitro-1h-indole-2-carboximidamide
+Cc1cc(ccc1Br)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c3cccc(c3)I)C(=O)N[C@H](CNC(=O)Cc4ccc(c(c4)OC)O)C(=O)N	B26	n-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-d-alaninamide
+C[C@H]([C@@H](CS)N)O	B27	(2r,3s) 3-amino-4-mercapto-2-butanol
+c1ccc(cc1)c2ccc(cc2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O	B28	(1-hydroxy-1-phosphono-2-[1,1';4',1'']terphenyl-3-yl-ethyl)-phosphonic acid
+c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O	B29	[2-(3-dibenzofuran-4-yl-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid
+B([C@H](C)N)(O)O	B2A	alanine boronic acid
+CC/C(=C\CC[C@H](C)C[C@@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C)[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)O)O)/C=C/C(=O)O	B2B	(2z)-2-[(1r)-3-{[(1r,2s,3r,6s,7s,10s,12s,15e,17e)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)Br)O)/C(=O)N1CC(=O)O)N)O	B2C	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+COc1cc2c(c(ccn2)NCc3nnc4n3nc(cc4)c5ccccc5)nc1	B2D	7-methoxy-n-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
+CN1C(=C(C(=O)N(C1=O)C)C(=O)NCC(=O)O)O	B2E	(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine
+B([C@H](Cc1ccccc1)N)(O)O	B2F	phenylalanine boronic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	B2G	galactobiose
+C[C@H]([C@@H](c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2cccc3)N)O	B2H	chromophore (thr, trp, gly)
+B([C@H]([C@H](C)CC)N)(O)O	B2I	isoleucine boronic acid
+CCSc1nc(nc(n1)N)C	B2J	4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine
+Cc1ccc(cc1)S(=O)(=O)c2cc(nc(n2)N)C	B2K	4-methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine
+Cc1cc(nc(n1)N)c2ccc3c4c2cccc4COC3	B2L	4-(1h,3h-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine
+Cc1cc(c2cc(ccc2n1)Br)C(=O)N/N=C\c3cc(cc(c3O)Cl)Cl	B2M	6-bromo-n'-[(1z)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide
+C([C@@H](CN)C(=O)O)C(=O)N	B2N	(2s)-4-amino-2-(aminomethyl)-4-oxobutanoic acid
+CC(C)(C(=O)O)Br	B2P	2-bromo-2-methylpropanoic acid
+CCCC[C@@H]1C[N@@]2CCc3cc(c(cc3[C@H]2C[C@@H]1N)OC)OC	B2Q	(2s,3r,11br)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-amine
+Cc1ccc2ccc(nc2n1)NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(nc4n3)C	B2R	3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{n}-(7-methyl-1,8-naphthyridin-2-yl)carbamate
+CC1=C[C@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO	B2S	(3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
+CSc1nc(nc(n1)N)c2ccccc2Cl	B2T	4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine
+C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@H](Cc3ccccc3)C(=O)O)Cl	B2U	n-[(3r)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1h-2-benzopyran-7-carbonyl]-d-phenylalanine
+B([C@H](C(C)C)N)(O)O	B2V	valine boronic acid
+C1CN=C(C=CN1)C(F)(F)F	B2W	5-(trifluoromethyl)-2,3-dihydro-1~{h}-1,4-diazepine
+CSc1nc(nc(n1)N)c2c3cccc4c3c(cc2Cl)COC4	B2X	4-(5-chloro-1h,3h-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine
+c1ccc(cc1)c2ccccc2CN	B2Y	1-biphenyl-2-ylmethanamine
+C[C@@H](CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)N2)c3ccccc3F	B2Z	(3-(2-fluorophenyl)-n-(1-(2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)ethyl)butanamide)
+c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N	B30	{2,2'-[(2-{[4-(aminosulfonyl)benzoyl]amino}ethyl)imino]diacetato(2-)-kappao}copper
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N	B31	(2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-2-hydroxy-3-(beta-d-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide
+CCCCCCCCCCNCCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	B32	5'-s-[2-(decylamino)ethyl]-5'-thioadenosine
+CCCNCCCNCCCNCC	B33	n-ethyl-n-[3-(propylamino)propyl]propane-1,3-diamine
+CC(C)[C@H]1C(=C(C(=O)N1Cc2ccccc2)C3=NS(=O)(=O)c4c3cccc4)O	B34	(5s)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2h-pyrrol-2-one
+COc1ccc(cc1C[C@@H](c2ccc(c(c2)F)OC)c3c[nH]c(n3)N)[N+](=O)[O-]	B35	4-[(1s)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1h-imidazol-2-amine
+Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4c5ccccc5cc6c4cccc6	B36	6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline
+Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6	B37	4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline
+Cc1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cccc5c4[nH]nc5	B38	1'-(1h-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3h)-one
+c1ccc2c(c1)CC[C@@H]2Nc3c4ccn(c4ncn3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	B39	[(1s,2s,4r)-4-{4-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-7h-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate
+C[C@@H](CC(=O)O)N	B3A	(3s)-3-aminobutanoic acid
+c1ccc(cc1)c2csc(n2)N/N=C/c3ccccc3C=O	B3B	2-{(e)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde
+Cc1ccc(cc1)CO[C@@H]2C[C@H](N(C2)C(=O)[C@@H](CCc3ccccc3)NC(=O)OCc4ccccc4)C(=O)N[C@@H](CCCCN)[C@@H](c5nc6ccccc6o5)O	B3C	benzyl [(1r)-1-({(2s,4r)-2-({(1s)-5-amino-1-[(s)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate
+C(C(CC(=O)O)N)C(=O)O	B3D	3-aminopentanedioic acid
+C(CC(=O)O)[C@@H](CC(=O)O)N	B3E	(3s)-3-aminohexanedioic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCCc2cccc(c2)Cl	B3G	(1r,2s)-2-[(n-{[2-(3-chlorophenyl)ethoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC	B3H	(2s)-2-(butyryloxy)-3-hydroxypropyl nonanoate
+c1c(cc(c(c1C(=O)O)I)I)I	B3I	2,3,5-triiodobenzoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3	B3J	(1s,2s)-2-{[n-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C(CCN)C[C@@H](CC(=O)O)N	B3K	(3s)-3,7-diaminoheptanoic acid
+CC(C)C[C@@H](CC(=O)O)N	B3L	(3s)-3-amino-5-methylhexanoic acid
+CSCC[C@@H](CC(=O)O)N	B3M	(3r)-3-amino-5-(methylsulfanyl)pentanoic acid
+CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO	B3N	4-(dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide
+C[C@H]1CCC[C@@H]2[C@@H]1[C@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4	B3O	(1r,2r,4as,8s,8ar)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2h,2'h-spiro[naphthalene-1,3'-pyridine]-2',4'(1'h)-dione
+C(CNC(CO)(CO)CO)CNC(CO)(CO)CO	B3P	2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol
+C(CC(=O)N)[C@@H](CC(=O)O)N	B3Q	(3s)-3,6-diamino-6-oxohexanoic acid
+c1cc(cc(c1)Br)O	B3R	3-bromophenol
+C([C@H](CO)N)C(=O)O	B3S	(3r)-3-amino-4-hydroxybutanoic acid
+C[C@H]([C@@H](CC(=O)O)N)O	B3T	3-amino-2,3,5-trideoxy-d-threo-pentonic acid
+c1c([nH]c(n1)N)C[C@@H](C(=O)O)N	B3U	2-amino-l-histidine
+CCN(CC)CCNS(=O)(=O)c1cccc(c1)OC	B3V	n-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide
+CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Cl	B3W	4-chloranyl-n-[2-(diethylamino)ethyl]benzenesulfonamide
+C([C@@H](CC(=O)O)N)C(=O)N	B3X	(3s)-3,5-diamino-5-oxopentanoic acid
+c1cc(ccc1C[C@@H](CC(=O)O)N)O	B3Y	(3s)-3-amino-4-(4-hydroxyphenyl)butanoic acid
+CCN(CC)CCNS(=O)(=O)c1ccccc1F	B3Z	n-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide
+C[C@@H](Cc1ccccc1)NC	B40	(2s)-n-methyl-1-phenylpropan-2-amine
+C[C@@H](Cc1ccc2c(c1)OCO2)NC	B41	(2s)-1-(1,3-benzodioxol-5-yl)-n-methylpropan-2-amine
+CC(C)CC[C@@]1(CN(C(=O)C(=C1O)C2=NS(=O)(=O)c3cc(ccc3N2)NS(=O)(=O)C)C4CCCC4)C	B42	n-{3-[(5r)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	B43	4-amino-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane
+c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O	B44	n-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate)
+CC(C)N1CCC(CC1)c2cc(c3c(c2)N(C(=O)NC3)c4c(cccc4Cl)Cl)c5ccc(cc5Cl)F	B45	5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1h)-one
+C#CCOC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3cccnc3)N4CCCCC4	B46	prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1h-pyrazol-3-yl]methyl}carbamate
+COC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3ccccc3)N4CCC(CC4)O	B47	methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1h-pyrazol-3-yl}methyl)carbamate
+Cc1c(sc(n1)c2cccs2)c3cc(n[nH]3)SC	B48	4-methyl-5-[3-(methylsulfanyl)-1h-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole
+CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C	B49	n-[2-(diethylamino)ethyl]-5-[(z)-(5-fluoro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-2,4-dimethyl-1h-pyrrole-3-carbo xamide
+c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5ccccc5	B4A	2-phenyl-n-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	B4B	5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
+c1ccc(cc1)CC[C@@H](C(=O)N[C@@H](CCCCN)[C@@H](c2nc3ccccc3o2)O)NC(=O)[C@H](CCCCN)NC(=O)OCc4ccccc4	B4C	benzyl [(1s)-5-amino-1-{[(1s)-1-({(1s)-5-amino-1-[(s)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-3-phenylpropyl]carbamoyl}pentyl]carbamate
+C=CCSC[C@H]1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl	B4D	(3s)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+c1cn2c3c(cn2)-c4cc(cc(c4)Cl)OCCOCCNc1n3	B4E	cyclical inhibitor od36
+c1cc(c(cc1C(=O)NCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O	B4F	biotin-4-fluorescein
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	B4G	galactotriose
+C=NC(=O)c1cccc(c1)[N+](=O)[O-]	B4H	n-methylidene-3-nitrobenzamide
+CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)CNC(=O)c4ccc(c(c4)OC)OC)C1	B4J	3,4-dimethoxy-n-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide
+CC(=O)Nc1c2ccc(nc2[nH]n1)c3ccc(c(c3)O)O	B4K	~{n}-[6-[3,4-bis(oxidanyl)phenyl]-1~{h}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide
+CN1CCC[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C	B4L	3-methyl-2-[[(3~{r})-1-methylpiperidin-3-yl]amino]-5~{h}-pyrrolo[3,2-d]pyrimidin-4-one
+C(Br)(Br)Br	B4M	tris(bromanyl)methane
+c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-]	B4N	bis(4-nitrophenyl) hydrogen phosphate
+CC1=CC(=O)N(C(=C1)C2CCCCC2)O	B4O	6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	B4P	bis(adenosine)-5'-tetraphosphate
+CCc1ccccc1c2ccc(cc2C)CNCCc3[nH]c4ccccc4n3	B4Q	2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine
+B(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CCO[C@@H]4[C@H]3CCO4)O)CC(C)C)(O)O	B4R	{4-[{(2r,3s)-3-[({[(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid
+c1cc(ccc1c2ccc(c(c2)F)C(F)(F)F)S(=O)(=O)N	B4S	3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	B4T	mono-pegylated sulfonatocalix[4]arene
+Cc1c(nnn1c2c(non2)N)C(=O)NCc3cccc(c3)C(=O)Nc4nc5c(s4)CN(CC5)C	B4V	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-n-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1h-1,2,3-triazole-4-carboxamide
+c1ccc2c(c1)c(nc(n2)c3ccccc3O)N[C@H]4CCNC4	B4W	2-{4-[(3s)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	B4X	di-pegylated sulfonatocalix[4]arene
+CN(C)[C@H]1CCc2c(sc(n2)NC(=O)c3cccc(c3)[C@H]4CCCN4C(=O)Nc5cccc(c5)C#N)C1	B4Y	(2r)-n-(3-cyanophenyl)-2-(3-{[(6s)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl}phenyl)pyrrolidine-1-carboxamide
+c1ccc(cc1)CNCCNS(=O)(=O)c2cccc3c2ccnc3	B4Z	~{n}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide
+CN1CCN(CC1)CCCNC(=O)c2c(c(cn2CC[C@@H](CO)O)c3ccc(cc3)Cl)c4ccccc4	B50	4-(4-chlorophenyl)-1-[(3s)-3,4-dihydroxybutyl]-n-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1h-pyrrole-2-carboxamide
+[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45	B51	nickel/iron/sulfur cluster
+C[C@H](C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C)C(=O)O	B52	(2r)-2-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
+C1(=C(N=C(NC1=O)N)N)N=O	B53	2,6-diamino-5-nitrosopyrimidin-4(3h)-one
+c1cc(ccc1C(=O)O)OCCCNC2=C(C(=O)NC(=N2)N)N=O	B54	4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydropyrimidin-4-yl)amino]propoxy}benzoic acid
+c12c([nH]c(n1)S)N=C(NC2=O)N	B55	2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one
+CN1CC(=NC2=C1N=C(NC2=O)N)C(=O)O	B56	2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid
+C1(=C(N=C(NC1=O)N)N)[N+](=O)[O-]	B57	2,6-diamino-5-nitropyrimidin-4(3h)-one
+c1[nH]c2c(n1)c(nnc2N)N	B58	1h-imidazo[4,5-d]pyridazine-4,7-diamine
+CN1C2=C(C(=O)N(C1=O)C)N=C(C(=O)N2)C=O	B59	1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde
+c1c2c(ncnc2n(n1)CC3CCNCC3)N	B5A	1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)Cc1c(ncn1CCCn2ccnc2)c3ccccc3	B5B	1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole
+CC(=O)Oc1ccc2c(c1)SC(=O)O2	B5C	2-oxo-2h-1,3-benzoxathiol-5-yl acetate
+C[C@H]1Nc2ccc(cc2S(=O)(=O)N1)Cl	B5D	(3s)-7-chloro-3-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3	B5E	2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine
+c1c(cc(cc1OP(=O)(O)O)OP(=O)(O)O)c2c(cc(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	B5F	biphenyl 2,3',4,5',6-pentakisphosphate
+CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)[C@H]4CCCN4C(=O)Nc5cccc(c5)C#N)C1	B5G	(2r)-n-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide
+c1cc(cc(c1)Br)/C=C\2/C(=O)NC(=O)N2	B5H	(5z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione
+C[P+](c1ccccc1)(c2ccccc2)c3ccccc3	B5J	methyltriphenylphosphonium
+CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3cc(c(c(c3)F)F)F)C=O	B5K	3-[(1~{r})-2-(~{tert}-butylamino)-1-[methanoyl-[[3,4,5-tris(fluoranyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]-6-chloranyl-1~{h}-indole-2-carboxylic acid
+C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+]	B5L	n~1~,n~1~,n~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium
+Cc1cccc(c1C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	B5M	9-(5-o-{(s)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine
+Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(cc3)F	B5N	[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone
+CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cc(ccc4F)CO)F)C(=O)C1	B5O	(6r)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5h-benzotriazol-4-one
+CC(C)CCN1c2nccn2C(=C(C1=O)C3=NS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O	B5P	n-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+CNCc1ccccc1c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4	B5Q	[2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
+C[C@](COc1ccc(c(c1)F)Cl)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O	B5R	(2s)-3-(4-chloro-3-fluorophenoxy)-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
+COc1cc(cc(c1)O)Nc2ccc(c(c2)OCCC[NH3+])C(=O)Nc3ccccc3	B5S	3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium
+c1cc(cnc1)c2c[nH]c3c2cc(cn3)c4ccc(cc4)S(=O)(=O)N	B5T	4-(3-pyridin-3-yl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
+Cc1ccc(cc1C)c2cnc(c(n2)C(=O)N)Nc3ccc(cc3)OCCCN4CCN(CC4)C	B5U	6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide
+c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	B5V	9-(5-o-{(s)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine
+c1ccc(cc1)CCC[NH2+]Cc2ccc(c(c2)Cl)c3ccccc3	B5W	(3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium
+CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cccc(c4)N(C)C)F)C(=O)C1	B5X	(6r)-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5h-benzotriazol-4-one
+Cc1ccc(c(c1)C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	B5Y	9-(5-o-{(s)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine
+c1cc(cc(c1)NC(=O)NCCN2CCOCC2)c3ccc4c(n3)sc(n4)NC(=O)C5CC5	B5Z	~{n}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
+CN1CC=NC2=C1N=C(NC2=O)N	B60	2-amino-8-methyl-7,8-dihydropteridin-4(3h)-one
+CC(C)(CC1=NC2=C(N=C(NC2=O)N)N(C1)C)O	B61	2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3h)-one
+C[C@@H]1CNC2=C(N1)C(=O)NC(=N2)N	B62	(6r)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3h)-one
+c1cc(ccc1C(=O)O)NCCC2=NC3=C(NC2)N=C(NC3=O)N	B63	4-{[2-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)ethyl]amino}benzoic acid
+COC(=O)c1c(cc(s1)c2cccs2)NC(=O)C=CC(=O)O	B64	4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid
+c1ccc(cc1)Oc2cccc(c2)CCC[C@H](P(=O)(O)O)S(=O)(=O)O	B65	(1r)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid
+C[C@](COc1ccc(cc1)[N+](=O)[O-])(C(Nc2ccc(c(c2)C(F)(F)F)C#N)O)O	B66	4-{[(1r,2s)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile
+C[C@](COc1c(c(c(c(c1F)F)F)F)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O	B67	(2s)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide
+CC(=O)Nc1ccc(cc1)OC[C@@](C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O	B68	(2s)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
+CCCCc1ccc(cc1)c2ccc(cc2)CCC[C@H](P(=O)(O[K])O[K])S(=O)(=O)O[K]	B69	tripotassium (1r)-4-(4'-butylbiphenyl-4-yl)-1-phosphonatobutane-1-sulfonate
+c1ccc(cc1)C(=O)c2ccc3c(c2)n(c(n3)N)CC4CCNCC4	B6A	[2-amino-1-(piperidin-4-ylmethyl)-1h-benzimidazol-6-yl](phenyl)methanone
+COc1ccc(cc1c2cnc(c(n2)C(=O)c3cccnc3)N)N	B6B	[3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone
+Cc1c(c(n[nH]1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)NO)Cl	B6C	2-{[2,6-dichloro-4-(3,5-dimethyl-1h-pyrazol-4-yl)phenyl]amino}-n-hydroxybenzamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)NC(=O)C	B6D	2,4-bisacetamido-2,4,6-trideoxy-beta-d-glucopyranose
+c1cc(oc1)C(=O)Nc2[nH]c3ccc(cc3n2)Oc4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F	B6E	~{n}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{h}-benzimidazol-2-yl]furan-2-carboxamide
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)C34C5=C6[Fe]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2	B6F	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{6-[(6-{[5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}hexanoyl)amino]hexanoyl}cyclopentadienyl]iron
+CC(C)[C@@H](C(=O)OP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	B6G	(2s)-2-amino-3-methylbutanoyl (2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (s)-phosphate
+CCC(=O)Nc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3OC)N4CCN(CC4)C)N	B6H	~{n}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
+c1cc(cc(c1)O)c2c(nc3c(n2)c(nc(n3)N)N)c4cccc(c4)O	B6J	3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol
+c1c(cc(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)c2cc(c(c(c2)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	B6K	biphenyl 3,3',4,4',5,5'-hexakisphosphate
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)c3ccc(cc3F)C(C(F)(F)F)(C(F)(F)F)O	B6L	2-[4-(ethylsulfonyl)phenyl]-n-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide
+C1[C@H]([C@@H]([C@@H]([C@@H]([C@@H]1N)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@@H](O4)CN)O)O)N)O)O)N	B6M	(1r,2s,3s,4r,6r)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-alpha-l-altropyranosyl)-beta-l-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-allopyranoside
+c1cc2c(cc1c3c[nH]nc3)c4c(cn2)C=CC(=O)N4c5ccc(cc5C(F)(F)F)F	B6N	1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{h}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
+CN(C)c1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F	B6O	3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	B6P	p1,p6-di(adenosine-5') hexaphosphate
+CCC(=O)Nc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)N4CCN(CC4)C)N	B6Q	~{n}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
+COc1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F	B6R	3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione
+c1cc2c(cc1S(=O)(=O)O)scn2	B6S	1,3-benzothiazole-6-sulfonic acid
+CC(C)c1c(c2ncc(n2nc1c3ccccc3)C#N)O	B6T	8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile
+c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cc(ccc5F)CO)F)C2=O	B6U	3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione
+CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCNC(=O)CCl	B6W	2-chloranyl-~{n}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{h}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide
+CCCCCC[C@H](CC(=O)O)SCC(=O)O	B6X	(3r)-3-[(carboxymethyl)sulfanyl]nonanoic acid
+CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S(=O)(=O)O	B6Y	(1r,2s)-2-{[n-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nc(c(s3)C(=O)c4ccccc4)N	B6Z	[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone
+c1ccc(cc1)c2ccc(cc2)CCC[C@H](P(=O)(O[K])O[K])S(=O)(=O)O[K]	B70	tripotassium (1r)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate
+CCCCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	B71	3-(decyloxy)-1-(2,2-diphosphonoethyl)pyridinium
+Cc1cc(cc(c1Cc2ccc(c(c2)C(C)C)O)C)OCC(=O)O	B72	{4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
+CCCCCCCCCCCCn1cc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	B73	3-(2,2-diphosphonoethyl)-1-dodecyl-1h-imidazol-3-ium
+Cc1cccc(c1)CO	B74	(3-methylphenyl)methanol
+c1ccc2cc(ccc2c1)S(=O)(=O)Nc3cccc(c3)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O	B75	1-hydroxy-2-[3'-(naphthalene-2-sulfonylamino)-biphenyl-3-yl]ethylidene-1,1-bisphosphonic acid
+c1ccc(cc1)c2cccc(c2)c3cccc(c3)OCC(O)(P(=O)(O)O)P(=O)(O)O	B76	[1-hydroxy-2-(1,1':3',1''-terphenyl-3-yloxy)ethane-1,1-diyl]bis(phosphonic acid)
+Cc1ccc(c(c1)OCc2ccccn2)OC	B77	2-[(2-methoxy-5-methylphenoxy)methyl]pyridine
+Cc1ccc(cc1OCc2ccncc2)OC	B78	4-[(5-methoxy-2-methylphenoxy)methyl]pyridine
+CN(C)C[C@@H]1[C@@H]([C@H]2N1CCCCN(C2)C(=O)Nc3ccc(cc3)OC)c4ccc(cc4)C#Cc5ccccc5	B79	(8r,9s,10s)-10-[(dimethylamino)methyl]-n-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	B7A	2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate)
+CN1c2cnc(nc2N([C@@H]3CCC[C@@H]3C1=O)C4CCCC4)Nc5ccc(cc5)C(=O)N	B7B	4-[[(3~{r},7~{s})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide
+C1C=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	B7C	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7,8-dihydropyrido[2,3-d]pyrimidin-2(3h)-one
+c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl	B7D	(3r)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+C[C@H]1C[C@@]2(CC[C@@H]1OC)Cc3ccc(cc3[C@@]24COC(=N4)N)c5cncnc5	B7E	compound 28
+C(C(C(C(F)(F)F)(F)F)(F)F)O	B7F	2,2,3,3,4,4,4-heptafluorobutan-1-ol
+CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	B7G	heptyl beta-d-glucopyranoside
+Cc1c(n[nH]c1c2cc3c(c(c2)F)NC(=O)C3(C)C)C#N	B7H	5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1h-indol-5-yl)-4-methyl-1h-pyrazole-3-carbonitrile
+c1cc(ccc1c2[nH]ccn2)OCCCCCCCOc3ccc(cc3)c4[nH]ccn4	B7I	2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1h-imidazole)
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	B7J	2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate)
+CC(C)C1C(=Nc2c(cnn2C1=O)C#N)c3cnn(c3)C4CCN(CC4)C(=O)C=C	B7K	7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1cc2cc(oc2c(c1)C(=O)O)CNC(=O)c3cnn4c3nccc4	B7L	2-({[(8r)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid
+CCC\C=C/C=C/CCCCCCCCC=O	B7M	(10e,12z)-hexadeca-10,12-dienal
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C/CCCCCCCC	B7N	(1r)-2-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate
+CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc4c(c3)OCCO4	B7O	~{n}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	B7P	2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate)
+CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C4CCN(CC4)C(=O)CCl	B7Q	5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1c(cc2c(c1O)C(=O)C=CO2)O	B7S	5,7-dihydroxy-4h-1-benzopyran-4-one
+Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)C5(C3)CCC(CC5)OC	B7T	(1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'h-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine
+C[C@@H](c1ccccc1)C(=O)N[C@H](C)c2ccccc2	B7U	(2s)-2-phenyl-n-[(1r)-1-phenylethyl]propanamide
+COc1cc(ccc1Cl)Nc2c(cn(n2)[C@H]3COCC[C@@H]3C#N)C(=O)N	B7V	3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3r,4s)-4-cyanooxan-3-yl]-1h-pyrazole-4-carboxamide
+c1cc(cc(c1)N)c2cc3c(c[nH]c3nc2)c4cccnc4	B7W	3-(3-pyridin-3-yl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)aniline
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC(=O)O)O	B7X	(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)
+CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4	B7Z	8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CC[C@H]1CC(=C(C(=O)N1Cc2ccc(cc2)F)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C)O	B80	n-{3-[(6s)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C	B81	(3alpha,8alpha,17beta)-androst-5-ene-3,17-diol
+CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc2ccccc2C(=O)O	B82	2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid
+C[C@@H]1C[C@@H](CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(=O)O)C	B83	2-[({4-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-phenoxyphenyl}carbonyl)amino]benzoic acid
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)[C@@H](CC3CCCC3)C(=O)Nc4nc5ccc(nc5s4)OC	B84	(2r)-3-cyclopentyl-n-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide
+c1ccc(cc1)CP(=O)(O)O	B85	benzylphosphonic acid
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)O	B86	2'-deoxy-5-fluorocytidine
+c1ccc2c(c1)cc(s2)c3cc(ncn3)N4CCN(CC4)CC(=O)N5CCCC5	B87	4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine
+C[C@H](N)[P@](=O)(C[C@@H](CC(=O)O)C(=O)O)O	B88	(2s)-2-{[(s)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid
+CC/C(=N\OC/C=C/Cl)/C1=C(C[C@@H](CC1=O)C2CCOCC2)O	B89	(5s)-2-[(1e)-n-{[(2e)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2h-pyran-4-yl)cyclohex-2-en-1-one
+B1234B567B189B212B33%10B454B656B787B911C232C4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565C318C4752CCNS(=O)(=O)N	B8B	cobaltcarborane
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)O/C(=C(\C(=O)O)/O)/C(=O)O)C[C@@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O	B8C	(~{e})-2-[[(4~{a}~{s})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{s},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{h}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid
+CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO	B8D	4-o-methyl-alpha-d-glucopyranose
+Cc1c(nc(s1)c2ccccc2)CC(=O)OC	B8E	methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanoate
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O	B8F	(5beta)-3-oxours-12-en-28-oic acid
+CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	B8H	[(2~{r},3~{s},4~{r},5~{s})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CN1c2ccccc2N(C1=O)C3CCN(CC3)CCCn4c5c(c(n4)c6ccc(cc6)C(F)(F)F)CN(CC5)C(=O)c7cnc[nH]7	B8J	1-[1-(3-{5-(1h-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2h-benzimidazol-2-one
+CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	B8K	7-acetyl, guanosine-5'-monophosphate
+CC[C@H](C)c1cc(ccc1O)C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c3ccc(cc3)C(=O)c4cc(ccc4O)OC	B8L	3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate
+CCCCC\C=C/C=C/CCCCCCCO	B8M	(8e,10z)-hexadeca-8,10-dien-1-ol
+CN1C=C(C(=O)N(C1=O)CC[C@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	B8N	(2~{r})-2-azanyl-4-[5-[(2~{s},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid
+CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc5c(c4)OCCO5	B8O	2-{[(3r,5r)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+c1ccc2c(c1)nc(c(n2)OCc3ccccn3)CCC(=O)O	B8P	3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid
+CN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	B8Q	3-methyl, cytidine-5'-monophosphate
+CN(C)C(=O)[C@@H](CCCCCCC[C@@H](C(=O)O)N)N	B8R	(2s,10r)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid
+CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C(=CC=N4)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl	B8S	n-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide
+CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	B8T	4-methyl, cytidine-5'-monophosphate
+COc1ccccc1C2CCN(CC2)C[C@@H](Cn3c4c(c(n3)c5ccc(c(c5)SCCN6CCCCC6)C(F)(F)F)CNCC4)O	B8V	(2s)-1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol
+COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	B8W	6-methyl, guanosine-5'-monophosphate
+CCCc1ccc(cc1[C@H]2C[C@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO	B8X	2-[4-[4-propyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=CN=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl	B8Y	n-{[2-chloro-5-(4-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-3,4-dihydropyrazin-2-yl)phenyl]methyl}-4-fluorobenzamide
+Cc1ccc2c(c1/C=C/n3cnc4c3ncnc4Nc5ccc(cc5)P(=O)(C)C)cn[nH]2	B90	n-[4-(dimethylphosphoryl)phenyl]-9-[(e)-2-(5-methyl-1h-indazol-4-yl)ethenyl]-9h-purin-6-amine
+Cc1ccc(cc1/C=C/n2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(cc(c5)n6cc(nc6)C)C(F)(F)F	B91	3-{(e)-2-[6-(cyclopropylamino)-9h-purin-9-yl]ethenyl}-4-methyl-n-[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C2CCCC[C@@H]2N3N1C(=O)N(C3=O)C[C@H](CCC(=O)O)NC(=O)Cc4ccccc4	B92	(3s)-3-({[(5s,10as)-2-{(2s)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1h-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C(CN2N1C(=O)N(C2=O)CCNC(=O)c3ccc4c(c3)nc[nH]4)CC5CCCCC5	B93	(3s)-3-({[(5s)-2-{2-[(1h-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C[C@H](N2N1C(=O)N(C2=O)CCCC(=O)O)CCNC(=O)Cc3ccc(cc3)Cl	B94	(3s)-3-({[(5s,8r)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid
+c1ccc2c(c1)[nH]c(n2)CCNC(=O)COc3ccccc3Br	B95	n-[2-(1h-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5	B96	1-(5-tert-butyl-2-p-tolyl-2h-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-urea
+Cc1ccc(cn1)c2ccc3c(n2)ccc4c3c5c(s4)C(=O)N[C@@H](CN5)C	B97	(10r)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8h-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one
+COc1ccc2c(c1)c3c(s2)C(=O)N[C@@H](CN3)CN	B98	(3r)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5h-[1]benzothieno[3,2-e][1,4]diazepin-5-one
+Cc1c2cc(ccc2n[nH]1)c3cc(cnc3c4ccoc4)OC[C@H](Cc5c[nH]c6c5cccc6)N	B99	(2s)-1-{[6-furan-3-yl-5-(3-methyl-2h-indazol-5-yl)pyridin-3-yl]oxy}-3-(1h-indol-3-yl)propan-2-amine
+c1ccc2c(c1)c3c4cccc(c4n2)CSCCN[C@H](CCC(=O)NCCSCc5cccc6c5nc7ccccc7c6NCCCNCCCCNCCCN3)O	B9A	macrocyclic-bis-9-amino-acridine
+CCCOc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	B9B	6-propyl, guanosine-5'-monophosphate
+CS(=O)(=O)Nc1ccccc1CNc2ccc3c(c2)c(n[nH]3)c4ccc(nc4)N5CCNCC5	B9C	n-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1h-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide
+C([C@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O	B9D	5-fluoro-alpha-l-idopyranose
+C1[C@H]2[C@@H]([C@@H](S1)CCCC[C@@H](C34C5[Fe]3678913(C5C6C74)C4C8C9C1C34)O)NC(=O)N2	B9F	[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-1-[1-hydroxy-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentyl]cyclopentadienyl}iron
+CCCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N	B9H	2'-methyl, 3-propyl, cytidine-5'-monophosphate
+Cc1c([nH]c(n1)SC)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4	B9K	4-(4-methyl-2-methylsulfanyl-1~{h}-imidazol-5-yl)-~{n}-(4-morpholin-4-ylphenyl)pyridin-2-amine
+CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)CO	B9L	n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-nalpha-methyl-l-phenylalaninamide
+CCCC#C\C=C\CCCCCCCCCO	B9M	(10e)-hexadec-10-en-12-yn-1-ol
+COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3[C@H](CCC(=O)O)C(=O)O	B9N	(2~{s})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1csc2c1cccc2)CO)NC	B9O	n-[(2s)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-n~2~-methyl-l-valinamide
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)C(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	B9P	1-biotinylpyrene
+C[C@@H]([C@@H](c1ccc(nc1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C5CC5	B9Q	~{n}-[(1~{r},2~{s})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CO)NC	B9R	n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-n~2~-methyl-l-valinamide
+CC1(CCN(CC1)C[C@@H](Cn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C)O)C	B9S	(2s)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl)phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol
+C[C@@H]([C@@H](c1cnc(nc1)C2CC2)Oc3ccc(cc3Br)C#N)NC(=O)C(C)(F)F	B9T	~{n}-[(1~{r},2~{s})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CO)O	B9U	(2s)-2-hydroxy-n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-3-methylbutanamide
+CC(C)[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F	B9W	2,2-bis(fluoranyl)-~{n}-[(1~{r},2~{s})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide
+CCOCCOCCC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2ncnc3N	B9X	[(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] 3-(2-ethoxyethoxy)propanoate
+c1cc(c(cc1c2c3c(n(n2)C[C@H](CN4CCCCC4)O)CCN(C3)C(=O)CO)SCCN5CCC(CC5)F)C(F)(F)F	B9Y	1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-[(2s)-2-hydroxy-3-(piperidin-1-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-hydroxyethan-1-one
+COc1ccc(cc1)c2ccc(cc2)Sc3ccccc3[C@H](CCC(=O)O)C(=O)O	B9Z	(2~{s})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid
+[Ba+2]	BA	barium ion
+CCC(=O)N1CCC(CC1)[C@@H]2CCNc3n2nc(c3C(=O)N)c4ccc(cc4)Oc5ccccc5	BA0	(7s)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccc(cc4)O)O)C(=O)O	BA1	balanol
+CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O	BA2	5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)butyl]amino}adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	BA3	bis(adenosine)-5'-triphosphate
+CCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	BA4	[[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate
+COC(=O)C1=C(c2cccnc2N(C1=O)O)N	BA5	methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate
+C(CC[C@@H](CO)O)CCO	BA6	(2s)-heptane-1,2,7-triol
+c1ccc(cc1)C(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	BA7	[(2r,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate
+c1ccc(c(c1)n2c(ccn2)c3cc(c(cc3O)O)CCc4ccccn4)Cl	BA8	4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol
+CC(C)(O)O	BA9	propane-2,2-diol
+C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)OC(C)(C)C	BAA	(tert-butyloxycarbonyl)-alanyl-alanyl-amine
+c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N	BAB	bis(5-amidino-benzimidazolyl)methane
+c1cc(ccc1CNC=O)I	BAC	n-(4-iodo-benzyl)-formamide
+CC(C)(C)C(=O)NC	BAE	n-methyltrimethylacetamide
+C[C@@H](C(=O)N[C@@H](C)NC=O)NC(=O)OC(C)(C)C	BAF	(tert-butyloxycarbonyl)-alanyl-amino ethyl-formamide
+c1ccc(cc1)C(=O)NC(=C(N)O)CCCNC(=N)N	BAG	n-[(e)-2-amino-1-(3-{[amino(imino)methyl]amino}propyl)-2-hydroxyvinyl]benzamide
+c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(c3[nH]c4cc(ccc4n3)C(=[NH2+])N)(O)O	BAH	bis(5-amidino-2-benzimidazolyl)methane ketone hydrate
+c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N	BAI	(5-amidino-2-benzimidazolyl)(2-benzimidazolyl)methane
+CC(C)(C)C1CCN(CC1)CCCn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C	BAJ	1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-n-[(4-fluorophenyl)methyl]methanamine
+c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=[NH2+])N	BAK	bis(5-amidino-2-benzimidazolyl)methane ketone
+C(CN)C(=O)O	BAL	beta-alanine
+c1ccc(cc1)C(=[NH2+])N	BAM	benzamidine
+C[C@@H](C(=O)NCC(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)C(Cc2ccccc2)C(=O)NO	BAN	honh-benzylmalonyl-l-alanylglycine-p-nitroanilide
+c1cc2c(cc1C(=N)N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=N)N	BAO	bis(5-amidino-2-benzimidazolyl)methanone
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O	BAP	1,2,3-trihydroxy-1,2,3,4-tetrahydrobenzo[a]pyrene
+C1CC(=O)NC1	BAQ	pyrrolidin-2-one
+C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O	BAR	8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid
+CC[C@H](c1ccccc1)NC=O	BAS	n-(1-phenyl-propyl)-formamide
+CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC	BAT	4-(n-hydroxyamino)-2r-isobutyl-2s-(2-thienylthiomethyl)succinyl-l-phenylalanine-n-methylamide
+c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO	BAU	1-((2-hydroxyethoxy)methyl)-5-benzylpyrimidine-2,4(1h,3h)-dione
+C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNCc2cccc(c2)C(C)C)O)C)C	BAV	(3s,14r,16s)-16-[(1r)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione
+CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccccc3F	BAW	4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{h}-pyrazol-5-yl]benzene-1,3-diol
+CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl	BAX	4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-n-methylpyridine-2-carboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)CS(=O)(=O)C(C)(C)C)O)O)NC(=O)[C@H](Cc5cccc6c5cccc6)CS(=O)(=O)C(C)(C)C	BAY	n-(1-benzyl-2,3-dihydroxy-4-{3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyrylamino}-5-phenyl-pentyl)-3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyramide
+[H]/N=C(\c1ccc2c(c1)NC3=[N]2[Zn+2][N]4=C(C3)Nc5c4ccc(c5)C(=N)N)/N	BAZ	bis(5-amidino-benzimidazolyl)methane zinc
+CC(=O)c1ccc2cc(ccc2c1)N(C)C	BB0	1-[6-(dimethylamino)naphthalen-2-yl]ethanone
+CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C	BB1	2-[(formyl-hydroxy-amino)-methyl]-hexanoic acid (1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide
+CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO	BB2	actinonin
+CCc1c(c2ccc(cc2o1)S(=O)(=O)N(C)C)C(=O)c3cc(c(c(c3)Br)O)Br	BB3	3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid dimethylamide
+c1cc2c(cc1Br)c(c[nH]2)CC(=O)NO	BB4	2-(5-bromo-1h-indol-3-yl)-n-hydroxyacetamide
+C/C(=C(\C(=O)O)/N)/S	BB6	(2z)-2-amino-3-sulfanylbut-2-enoic acid
+COC/C(=C(\C(=O)O)/N)/S	BB7	(2z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid
+c1ccc(cc1)[C@@H]([C@@H](C(=O)O)N)O	BB8	(2s,3s)-beta-hydroxy-phenylalanine
+C(=C(\C(=O)O)/N)/S	BB9	(2z)-2-amino-3-sulfanylprop-2-enoic acid
+c1cc(ccc1C[C@@H]2CCCC[C@H](C2=O)Cc3ccc(cc3)C(=N)N)C(=N)N	BBA	2,7-bis-(4-amidinobenzylidene)-cycloheptan-1-one
+c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O	BBB	1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)-6-hydroxypyrimidine-2,4(1h,3h)-dione
+[H]/N=C(\CO)/C[S@@](=O)CCCCN	BBC	3-[(4-aminobutyl)sulfinyl]-2-iminopropan-1-ol
+Cc1cccc(c1)S(=O)(=O)N(C)C2=C(N(C(=O)NC2=O)Cc3ccccc3)N	BBE	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n,3-dimethylbenzenesulfonamide
+c1(c(c(c(c(c1F)F)Br)F)F)F	BBF	1-bromo-2,3,4,5,6-pentafluorobenzene
+COc1ccc(cc1)S(=O)(=O)[N@]2CN(C(=O)C[C@@H]2C(=O)NO)Cc3ccccc3	BBH	1-benzyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-hexahydro-pyrimidine-4-carboxylic acid hydroxyamide
+CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I	BBI	(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone
+c1cc(c(cc1N/C(=N\O)/c2c(non2)NCCNS(=O)(=O)N)Br)F	BBJ	n-(3-bromo-4-fluorophenyl)-n'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1O)CO)O)O	BBK	2-acetamido-2-deoxy-5-thio-alpha-d-galactopyranose
+C[C@@H](C(=O)O)NC(=O)OCc1ccccc1	BBL	n-[(benzyloxy)carbonyl]-l-alanine
+c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)Br)C(=O)NOC[C@H](CO)O	BBM	5-bromo-n-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
+B1(c2ccccc2C=NN1C(=O)N)O	BBN	1-hydroxy-2,3,1-benzodiazaborinine-2(1h)-carboxamide
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCOCC4	BBO	2-[3-(morpholin-4-yl)propyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione
+CC(C)(C)C1=NN(C(C1)O)c2nc3ccc(cc3s2)Cl	BBP	(5r)-3-tert-butyl-1-(6-chloro-1,3-benzothiazol-2-yl)-4,5-dihydro-1h-pyrazol-5-ol
+B12([C@H](CCO1)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)Oc5c6ccccc6ccn5)OCC(CO2)O	BBQ	cyclopentyl n-[(2s)-1-[(2s,4r)-2-[[(4r)-8-hydroxy-1,6,10-trioxa-5$l^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
+C(C(=O)CBr)OP(=O)(O)O	BBR	(3-bromo-2-oxo-propoxy)phosphonic acid
+CC(C)(C)c1ccc(cc1)S(=O)(=O)O	BBS	4-tert-butylbenzenesulfonic acid
+c1ccc(cc1)[C@]2(C(=O)NC(=NC2=O)O)N3CCC(CC3)CCO	BBT	2-hydroxy-5-[4-(2-hydroxy-ethyl)-piperidin-1-yl]-5-phenyl-1h-pyrimidine-4,6-dione
+CCCCBr	BBU	1-bromobutane
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O	BBV	benzyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
+Cc1ccc2c(c1)ncnc2N	BBW	7-methylquinazolin-4-amine
+CCBr	BBX	1-bromoethane
+Cn1c(cc(n1)N)c2cc3c(c(c2)Br)OCO3	BBY	5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-3-amine
+CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccc(cc6)N(C)C	BBZ	2'-(4-dimethylaminophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+c1ccc2c(c1)c3ccccc3c4c2ccc5c4C[C@@H]([C@@H]([C@H]5O)O)O	BC	benzo[g]chrysene
+CN1Cc2c(c3c(nc(nc3s2)SCc4ccc(cc4)Cl)NCC=C)C=C1	BC0	2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-n-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
+CN1c2ccccc2C(c3c1cccc3)(C#N)C(=O)NCCC(=O)O	BC1	3-{[(9-cyano-9,10-dihydro-10-methylacridin-9-yl)carbonyl]amino}propanoic acid
+C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)C)C)OC(=O)N)/C)C)OC)OC	BC2	macbecin
+c1cc(cnc1)Cc2c[nH]c3c2N=C(NC3=O)N	BC3	2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+C#CCCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2	BC4	(3as,4s,6ar)-4-(hex-5-yn-1-yl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one
+c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)N	BC5	4'-aminobiphenyl-4-sulfonamide
+C[C@H]1CC\C=C(\C(=O)Nc2cc(cc(c2)O)C[C@H](C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]1OC(=O)N)/C)C)O)OC)C)/C	BC6	(4e,8s,9r,10e,12s,13r,14s,16r)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate
+CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)N5CCCC5)C(F)(F)F)C1	BC7	2-[5-[5-ethanoyl-1-[(2~{r})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone
+C(CC(=O)O)[C@@H](C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O	BC8	beta-citryl-l-glutamic acid
+C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/CCC[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CC[C@H]2C(=O)O)/C#N)O)C)C	BC9	(1r,2r)-2-[(2s,6e,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)O)O	BCA	4-hydroxybenzoyl coenzyme a
+C\C=C/1\c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OC\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C	BCB	bacteriochlorophyll b
+c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)O)N	BCC	(3s,6s,8ar)-6-amino-6-benzyl-5-oxooctahydroindolizine-3-carboxylic acid
+C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O	BCD	beta-cyclodextrin
+C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)c2ccccc2)/O	BCE	(2z)-n-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide
+c1(c(c(c(c(c1F)F)Cl)F)F)F	BCF	1-chloro-2,3,4,5,6-pentafluorobenzene
+C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O	BCG	3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
+CCCC(=O)SCC[N+](C)(C)C	BCH	2-(butyrylsulfanyl)-n,n,n-trimethylethanaminium
+CC1CCN(CC1)CCSc2cc(ccc2C(F)(F)F)c3c4c(n(n3)C[C@H](CN5CCC(CC5)N6C[C@H](CC6=O)O)O)CCN(C4)S(=O)(=O)C	BCJ	(4~{s})-1-[1-[(2~{s})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one
+Cn1c(c(cn1)CO)c2ccccc2	BCK	(1-methyl-5-phenyl-1h-pyrazol-4-yl)methanol
+CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C	BCL	bacteriochlorophyll a
+C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C)CCO1)(C(=O)N2)O)O)O	BCM	bicyclomycin
+C(CO)N(CCO)CC(=O)O	BCN	bicine
+CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	BCO	butyryl coenzyme a
+c1[nH]c2c(n1)nc(nc2Cl)Br	BCP	2-bromo-6-chloro-purine
+CC1C(=C(NO1)C)CS(=O)(=O)C[C@@H](C(=O)N[C@@H](CCc2ccccc2)CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4	BCQ	n-[(1r)-1-[({[(5s)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide
+CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(CCCC2(C)C)C)\C)\C	BCR	beta-carotene
+c1ccc(cc1)CSC[C@@H](C(=O)O)N	BCS	benzylcysteine
+C(=O)(O)[O-]	BCT	bicarbonate ion
+c1ccc2c(c1)C[C@@H](CO2)CO	BCU	(3r)-3,4-dihydro-2h-chromen-3-ylmethanol
+C1CC1[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	BCV	d-(l-a-aminoadipoyl)-l-cysteinyl-d-cyclopropylglycine
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)NC(=O)C)O)CO)O)O)O	BCW	6-deoxy-alpha-l-galactopyranosyl-(1->4)-[6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->3)]-2-(ace  tylamino)-2-deoxy-alpha-d-glucopyranose
+C([C@H](CS)N)C(=O)O	BCX	(3r)-3-amino-4-sulfanylbutanoic acid
+C[C@@]1(CC[N@@]2CC[C@H](N2C1=O)C=O)N	BCY	carboxyamino[4.3.0]bicyclo1,6-diazanonan-2-one
+CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C	BCZ	3-(1-acetylamino-2-ethyl-butyl)-4-guanidino-2-hydroxy-cyclopentanecarboxylic acid
+c1cc(ccc1C[N@]2CCC(C2)(F)F)[C@H]3CCC[NH+]3C(=O)c4cc(c(cc4O)O)Cl	BD0	(1s,2r)-1-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-2-{4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl}pyrrolidinium
+C1C=CC[C@@H]2[C@H]1OC(O2)O	BD1	3a,4,7,7a-tetrahydro-benzo [1,3] dioxol-2-one
+c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)OC3CCCNCC3NC(=O)c4ccc(cc4)O)O	BD2	3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxybenzoyl)benzoate
+[H]/N=C/CNC(=O)[C@H](Cc1cccc(c1)c2nnc(o2)\C=N/[H])NC(=O)c3cc(nn3C)C(C)(C)C	BD3	nalpha-[(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)carbonyl]-n-[(2e)-2-iminoethyl]-3-{5-[(z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-l-phenylalaninamide
+Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C	BD4	6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@@H](Cc3ccc(cc3)O)NC(=O)OCc4ccccc4	BD5	n-[(benzyloxy)carbonyl]-d-tyrosyl-l-phenylalanyl-l-tyrosine
+CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)NO)C(=O)[C@H](Cc4cnc[nH]4)NC(=O)OCc5ccccc5	BD6	n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-n-hydroxy-l-tryptophanamide
+CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)NO)C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OCc4ccccc4	BD7	n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-n-hydroxy-l-tyrosinamide
+CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4	BD8	n-undecanoyl-l-histidyl-l-phenylalanyl-n-methyl-n-(2-pyridin-2-ylethyl)-l-tyrosinamide
+CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4	BD9	n-undecanoyl-l-histidyl-l-histidyl-n-methyl-n-(2-pyridin-2-ylethyl)-l-tyrosinamide
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)[NH2+]Cc6ccc(cc6)C[NH2+][C@H]7C[C@@H](O[C@H]([C@H]7O)C)O[C@H]8C[C@@](Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O)O	BDA	4-methylbenzyl-n-bis[daunomycin]
+B(c1ccc(cc1)c2ccc(cc2)B(O)O)(O)O	BDB	4,4'-biphenyldiboronic acid
+CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C	BDC	bis-(9-octylamino(2-dimethylaminoethyl)acridine-4-carboxamide
+C(CCCCCCBr)CCCCCO	BDD	bromo-dodecanol
+c1cc(cnc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	BDE	n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylene]nicotinohydrazide
+C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O	BDF	beta-d-fructopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N	BDG	2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose
+c1c([nH]cn1)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N	BDH	l-beta-aspartylhistidine
+CCCCc1[nH]c2c(n1)C(=O)NNC2=O	BDI	2-butyl-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione
+[H]/N=C\1/NC(C(=O)N1Cc2cccc(c2)Cl)(C)C	BDJ	(2z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one
+CC(C)[C@@H](C(=O)C(C(=O)NCCN1CCOCC1)(F)F)NC(=O)CN2C(=NC=C(C2=O)N)c3cccs3	BDK	2-[5-amino-6-oxo-2-(2-thienyl)-1,6-dihydropyrimidin-1-yl)-n-[3,3-difluoro -1-isopropyl-2-oxo-3-(n-(2-morpholino ethyl)carbamoyl]propyl]acetamide
+CC(C)C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccccc2	BDL	n-(biphenyl-4-ylsulfonyl)-d-leucine
+COc1cc(cc(c1Br)OCCC[C@@H](CCC(=O)[O-])C(=O)[O-])Cc2c[nH+]c(nc2N)N	BDM	brodimoprim-4,6-dicarboxylate
+c1ccc(cc1)C(=N)N	BDN	benzamidine
+[H]/N=C\1/N[C@](C(=O)N1Cc2cccc(c2)Cl)(C)CC(C)C	BDO	(2z,5r)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one
+[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O	BDP	beta-d-glucopyranuronic acid
+[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)Nc3ccc(cc3)C#N)(C)CC(C)C	BDQ	1-(4-cyanophenyl)-3-(4-{[(2z,4r)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea
+C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O	BDR	beta-d-ribofuranose
+c1cc2c(cc1C[C@@H]([C@H](Cc3ccc4c(c3)OCO4)C(=O)O)C(=O)O)OCO2	BDS	2,3-bis-benzo[1,3]dioxol-5-ylmethyl-succinic acid
+C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C	BDT	5-beta-dihydrotestosterone
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc(cc2)c3ccccc3)O)O)(C(=O)O)OC)O	BDU	me-a-9-n-(biphenyl-4-carbonyl)-amino-9-deoxy-neu5ac
+[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)NCCCC)(C)CC(C)C	BDV	1-butyl-3-(4-{[(2z,4r)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea
+[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CN3C[C@@H](NC3=O)CCC)(CCC4CCCCC4)CC5CCCCC5	BDW	(4s)-1-(4-{[(2z,4r)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)CC3CCCCC3	BDX	(2e,5r)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one
+c1cc(c(c(c1)Cl)CNc2c(ncc(n2)c3ccc(cc3)C(=O)N4CCC[C@@H]4CN5CCCC5)N)Cl	BDY	n~3~-(2,6-dichlorobenzyl)-5-(4-{[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)CO)O)NC(=O)C)O)O)O	BDZ	6-deoxy-alpha-l-galactopyranosyl-(1->3)-[6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->4)]-2-(ace  tylamino)-2-deoxy-beta-d-glucopyranose
+C1CCN(CC1)S(=O)(=O)N	BE0	piperidine-1-sulfonamide
+CC(=O)N(CCOP(=O)(O)O)Br	BE1	n-bromoacetyl-aminoethyl phosphate
+c1ccc(c(c1)C(=O)O)N	BE2	2-aminobenzoic acid
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cccc(c5)F)O)O)OCc6cccc(c6)F)O	BE3	n,n-[2,5-o-di-3-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol]
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5ccc(cc5F)F)O)O)OCc6ccc(cc6F)F)O	BE4	(2r,3r,4r,5r)-2,5-bis[(2,4-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1r,2s)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexan ediamide
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cccc(c5F)F)O)O)OCc6cccc(c6F)F)O	BE5	(2r,3r,4r,5r)-2,5-bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexan ediamide
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cc(ccc5F)F)O)O)OCc6cc(ccc6F)F)O	BE6	(2r,3r,4r,5r)-2,5-bis[(2,5-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexanediamide
+c1cc(ccc1C(=O)O)[Hg]Cl	BE7	(4-carboxyphenyl)(chloro)mercury
+B([C@H](CC1CCC1)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN(C)S(=O)(=O)C)C(C)(C)C)(O)O	BE8	[(1r)-2-cyclobutyl-1-({[(1r,2s,5s)-3-(n-{[(1s)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-l-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid
+c1ccc(cc1)O/C(=N\S(=O)(=O)N)/N2CCOCC2	BE9	phenyl n-sulfamoylmorpholine-4-carboximidoate
+Cc1cccc2c1n3cn[nH+]c3s2	BEA	5-methyl-1,2,4-triazolo[3,4-b]benzothiazole
+c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	BEB	n,n-[2,5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol]
+CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)OCc3ccccc3)O)O)OCc4ccccc4	BEC	[5-(2-hydroxy-indan-1-ylcarbamoyl)-3,4-dihydroxy-2,5-[dibenzyl-oxy]-pentanoyl]-valinyl-amido-methane
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5ccccc5F)O)O)OCc6ccccc6F)O	BED	n,n-[2,5-o-di-2-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol]
+CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCc1ccc(cc1)c2ccsc2)O)O)OCc3ccc(cc3)c4ccsc4	BEE	n,n-[2,5-o-[di-4-thiophen-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane]
+[Be-](F)(F)F	BEF	beryllium trifluoride ion
+c1ccc(cc1)CO[C@H](C[C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	BEG	2,5-dibenzyloxy-3-hydroxy-hexanedioic acid bis-[(2-hydroxy-indan-1-yl)-amide]
+c1ccc(cc1)CNC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)OCc5ccccc5	BEH	2,5-dibenzyloxy-3,4-dihydroxy-hexanedioic acid benzylamide (2-hydroxy-indan-1-yl)-amide
+CC[C@H](C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC)OCc1ccccc1)O)O)OCc2ccccc2	BEI	n,n-[2,5-o-[dibenzyl]-glucaryl]-di-[isoleucyl-amido-methane]
+CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCc1ccc(cc1)c2cccnc2)O)O)OCc3ccc(cc3)c4cccnc4	BEJ	n,n-[2,5-o-[di-4-pyridin-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane]
+COc1c(c(c(c(c1F)F)C(=O)N)F)F	BEK	2,3,5,6-tetrafluoro-4-methoxy-benzamide
+c1c(c(cc(c1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)C=O	BEL	2,4-dinitro,5-[bis(2-bromoethyl)amino]-n-(2',3'-dioxopropyl)benzamide
+[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O	BEM	beta-d-mannopyranuronic acid
+[H]/N=C(\c1ccccc1)/N	BEN	benzamidine
+CC=CC(=O)O	BEO	butenoic acid
+CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3	BEP	1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane
+CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]	BEQ	n-(carboxymethyl)-n,n-dimethyl-3-[(1-oxododecyl)amino]-1-propanaminium inner salt
+COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5	BER	berberine
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O	BES	2-(3-amino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoic acid
+C[N+](C)(C)CC(=O)O	BET	trimethyl glycine
+CC(=O)N[C@H]1[C@@H](C=C([C@H]([C@@H]1O)O)CO)N	BEU	n-[(1s,2r,5r,6r)-2-amino-5,6-dihydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide
+C1CS/C(=N\S(=O)(=O)N)/N1	BEV	n-[(2z)-1,3-thiazolidin-2-ylidene]sulfamide
+c1cc[n+](c(c1)S)O	BEW	1-hydroxy-2-sulfanylpyridinium
+COc1ccc(cc1OC)N[C@H](NS(=O)(=O)N)Oc2ccccc2	BEX	n-[(r)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfamide
+c1ccc(cc1)CC[C@@H](N)[P@@](=O)(C[C@@H](Cc2ccccc2)C(=O)O)O	BEY	(2s)-3-[(r)-[(1s)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
+c1ccc(cc1)C(=O)O	BEZ	benzoic acid
+COC(=O)CCC(=O)N[C@@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O	BF0	methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate
+[Be](F)F	BF2	beryllium difluoride
+c1cc(c(c(c1)Cl)F)CN2C(=O)c3ccc(c(c3C2=O)O)O	BF3	2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1h-isoindole-1,3(2h)-dione
+[Be-2](F)(F)(F)F	BF4	beryllium tetrafluoride ion
+C[C@H]1COC2=C3N1C=C(C(=C3CC(=C2N4CCN(CC4)N)F)O)C(=O)[O-]	BF5	(3s)-10-(4-aminopiperazin-1-yl)-9-fluoro-7-hydroxy-3-methyl-2,3-dihydro-8h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate
+c1ccc(cc1)C(=O)c2ccc(cc2)/C=C\3/C(=O)N(C(=N3)CN)CC(=O)O	BF6	[(4z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1cc(ccc1C[C@H](C(=O)O)N)Br	BF7	4-bromo-d-phenylalanine
+O1[Fe][S]2[Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni]51	BF8	fe(4)-ni(1)-s(5) cluster with oxygen
+C[C@@H]([C@@H](C1=N/C(=C\c2ccc(cc2)C(=O)c3ccccc3)/C(=O)N1CC(=O)O)N)O	BF9	[(4z)-2-[(1r,2s)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CN(C)CCNC(=O)c1cccc2c1nc3c(n2)cccc3Br	BFA	9-bromo-phenazine-1-carboxylic acid (2-dimethylamino-ethyl)-amide
+[H]/N=C(/C)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1	BFB	n-[(1s)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide
+CCCCCCCCCCC[C@H](CC=O)O	BFC	(r)-3-hydroxytetradecanal
+[Be-2](OC(=O)C[C@@H](C(=O)O)N)(F)(F)F	BFD	aspartate beryllium trifluoride
+c1ccc(cc1)C(=O)NCCS	BFE	n-(2-sulfanylethyl)benzamide
+c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br	BFF	3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide
+c1ccc(cc1)C(CC(=O)NCCS)c2ccccc2	BFG	3,3-diphenyl-n-(2-sulfanylethyl)propanamide
+c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O	BFH	1-(carboxymethyl)-1h-benzo[g]indole-2-carboxylic acid
+c1cc2c(cc1F)[C@@]3(CC(=O)NC3=O)C(=O)N(C2=O)Cc4ccc(cc4F)Br	BFI	2[4-bromo-2-fluorophenyl)methyl]-6-fluorospiro[isoquinoline-4-(1h),3'-pyrrolidine]-1,2',3,5'(2h)-tetrone
+Cc1cnc(nc1Nc2cccc(c2)CO)Nc3cc(cc(c3)S(=O)(=O)C)N4CCN(CC4)C	BFK	[3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol
+C[C@@H](c1ccc(cc1)c2ccccc2)C(=O)O	BFL	2-(1,1'-biphenyl-4-yl)propanoic acid
+C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O	BFM	3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(C(=O)O)O)F)O	BFN	5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid
+CC[C@H](C)[C@H](C=O)[C@H](C(=O)NCCC[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc2ccc3ccccc3c2)O	BFO	benzyl n-[(naphthalen-2-ylmethoxy)carbonyl]-l-alanyl-n~5~-[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]-l-ornithinate
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O	BFP	beta fructose 1,6-diphosphate
+CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O	BFQ	ibandronate
+[H]/N=C(\NCCCC)/N=C(N)N	BFR	n-butyl-n'-(diaminomethylidene)guanidine
+C[C@H](c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F	BFS	n-[1-(4-bromophenyl)ethyl]-5-fluoro salicylamide
+Cc1ncc(c(n1)N)CN(C=O)C(C)C(CCOP(=O)(O)O)SC(=O)c2ccccc2	BFT	s-benzoylthiamine o-monophosphate
+CCC(=O)c1ccc(c(c1O)[C@@H]2C[C@@H]2NC(=O)Nc3ccc(cn3)Br)F	BFU	1-(5-bromo-pyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)-cyclopropyl]-urea
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5cccc(c5)CNCc6ccccc6)Cl)C1	BFV	n-benzyl-1-{3-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
+c1cc(oc1)CNC2=CC=NC(=O)N2	BFW	4-n-furfurylcytosine
+c1ccc(c(c1)CN(C2CC2)C(=O)C3=C(CCNC3)c4ccc(cc4)CCCOc5cc(ccc5Br)F)Cl	BFX	4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-n-(2-chlorobenzyl)-n-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide
+CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Br	BFZ	7-bromo-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one
+COc1cc(cc(c1OC)Br)[C@@H]2c3ccc(c(c3OC(=C2C#N)N)N)N	BG0	(4r)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4h-1-benzopyran-3-carbonitrile
+CCC[C@@H](C(=O)OC[C@@H](C(=O)O)N)[N@](C)S(=O)(=O)NC	BG1	o-[(2s)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-l-serine
+C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)O	BG2	8-bromoguanosine
+C[C@@H]1C[C@@H](N[C@H]1C(=O)O)S(=O)(=O)O	BG3	3-methyl-5-sulfo-pyrrolidine-2-carboxylic acid
+C[C@@H]1C[C@H](N[C@H]1C(=O)O)[N@](C)O	BG4	5-(hydroxy-methyl-amino)-3-methyl-pyrrolidine-2-carboxylic acid
+C[C@@H]1C[C@H](N[C@H]1C(=O)O)NO	BG5	5-hydroxyamino-3-methyl-pyrrolidine-2-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	BG6	6-o-phosphono-beta-d-glucopyranose
+CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN(C)C)CCN(C3)C(=O)CC4CCNCC4)C	BG7	n-{[5-{1-[3-(dimethylamino)propyl]-5-[(piperidin-4-yl)acetyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]methyl}-3-methylbut-2-enamide
+c1ccc(cc1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O	BG8	2-(benzoylamino)-2-deoxy-beta-d-glucopyranose
+c1cc(c(cc1)/C=C/C(=O)O)/C=C/C(=O)O	BG9	(2e,2'e)-3,3'-(1,2-phenylene)di(prop-2-enoic acid)
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	BGC	beta-d-glucopyranose
+c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](Cc3ccc(cc3)C(F)(F)P(=O)(O)O)C(=O)N	BGD	n-benzoyl-l-glutamyl-[4-phosphono(difluoromethyl)]-l-phenylalanine-[4-phosphono(difluoro-methyl)]-l-phenylalanineamide
+Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4	BGE	4-(4-methyl-1~{h}-imidazol-5-yl)-~{n}-(4-morpholin-4-ylphenyl)pyridin-2-amine
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=[NH2+])N)C(=[NH2+])N	BGF	2,5-bis(4-guanylphenyl)furan
+c1ccc(cc1)COC(=O)O	BGG	carbonic acid monobenzyl ester
+CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OC	BGH	[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCN(CC3)C4CC4)c5ccc(c(c5)C#Cc6ccc(cc6)CNCc7ccc(cc7)Cl)Cl)C1	BGJ	1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-n-[(4-chlorophenyl)methyl]methanamine
+c1cc2c(nc1)nc(s2)Oc3ccc(cc3)C=O	BGK	4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde
+CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	BGL	2-o-octyl-beta-d-glucopyranose
+C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Br)C(=O)NC(=N3)N)COP(=O)(O)O)O	BGM	8-bromo-2'-deoxyguanosine-5'-monophosphate
+CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	BGN	2-(butanoylamino)-2-deoxy-beta-d-glucopyranose
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)OP(=O)(O)O	BGO	3'-o-(n-methylanthraniloyl)guanosine-5'-diphosphate
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	BGP	6-o-phosphono-beta-d-galactopyranose
+C(CO)[C@H](C[O])O	BGQ	2-hydroxy butane-1,4-diol
+[BH3-]P(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O	BGR	[[(2r,3s,5r)-5-(2-azanyl-6-oxo-1h-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide
+CCS(=O)(=O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	BGS	(1s)-1,5-anhydro-1-(ethylsulfonyl)-d-glucitol
+CC(C)(C)OC(=O)[C@H](CCC(=O)N)N	BGT	tert-butyl d-alpha-glutaminate
+c1c2c(cc3c1[nH]c(n3)N)N=C(NC2=O)N	BGU	2,6-diamino-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2	BGV	(3ar,4s,4ar,7ar,8r,9as)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate
+c1ccc2c(c1)nc(s2)Oc3ccc(cc3)CN4CCC(CC4)C(=O)O	BGW	1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid
+C[C@@H]1C=CN[C@H]1C(=O)O	BGX	4-methyl-pyrroline-5-carboxylic acid
+CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)N2CCc3c(c(nn3CCCN4CCOCC4)c5ccc(c(c5)I)Cl)C2	BGY	tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
+CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@H](C)/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O	BGZ	[(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{s})-6-methyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate
+c1ccc(cc1)C[C@@H]2[C@@H](CN(N(C(=O)N2Cc3ccc(cc3)O)Cc4ccc(cc4)O)S(=O)(=O)c5cccc(c5)C#N)O	BH0	3-({5-benzyl-6-hydroxy-2,4-bis-(4-hydroxy-benzyl)-3-oxo-[1,2,4]-triazepane-1-sulfonyl)-benzonitrile
+CC[C@@H]\1[C@H](/C/2=C/c3c(c(c([nH]3)/C=C\4/[C@H]([C@@H](/C(=C\5/c6c(c(c([nH]6)/C=C1\N2)C)C(=O)[C@@H]5C(=O)OC)/N4)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C	BH1	bacteriopheophytin
+[C@H]([C@H](C(=O)O)O)(C(=O)O)N	BH2	(3r)-3-hydroxy-l-aspartic acid
+CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@@H](P(=O)(O)O)P(=O)(O)[O-]	BH3	hydrogen [(1r)-2-(3-pentadecyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
+C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O	BH4	(6r,1'r,2's)-5,6,7,8 tetrahydrobiopterin
+CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O)(O)O)P(=O)(O)[O-]	BH5	hydrogen [(1r)-1-hydroxy-2-(3-pentadecyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
+B(CNC(=O)c1ccccc1Cl)(O)O	BH6	{[(2-chlorobenzoyl)amino]methyl}boronic acid
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2	BH7	e-amino biotinyl caproic acid
+CCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)P(=O)(O)[O-]	BH8	hydrogen [(1s)-2-(3-decyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4c[nH]nc4	BH9	4-tert-butyl-n-[6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide
+c1cc(c(cc1N)O)C(=O)O	BHA	2-hydroxy-4-aminobenzoic acid
+CN(C)CCSCc1cc(cc2c1N=C(NC2=O)N)N	BHB	2,6-diamino-8-(2-dimethylaminoethylsulfanylmethyl)-3h-quinazolin-4-one
+c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	BHC	benzene hexacarboxylic acid
+[C@H]([C@@H](C(=O)O)O)(C(=O)O)N	BHD	(3s)-3-hydroxy-l-aspartic acid
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O	BHE	octyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside
+c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2	BHF	2-phenyl-4h-benzo[h]chromen-4-one
+CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	BHG	hexyl beta-d-galactopyranoside
+CCCCNC(=N)NO	BHH	n-butyl-n'-hydroxyguanidine
+C[C@@](CCO[P@](=O)(O)OP(=O)(O)O)(CBr)O	BHI	4-bromo-3-hydroxy-3-methyl butyl diphosphate
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc6c(c5)CN[C@@H](C6)C(=O)N7CCCCC7)Cl)C1	BHJ	{(3s)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone
+c1ccc(cc1)C[C@H](CC(=O)CO)C(=O)O	BHK	(2r)-2-benzyl-5-hydroxy-4-oxopentanoic acid
+C(CCCBr)CCO	BHL	6-bromohexan-1-ol
+C[C@](CBr)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O	BHM	(r)-3-bromo-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
+c1ccc(c(c1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O)O	BHN	2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
+c1ccc(cc1)C(=O)NO	BHO	benzhydroxamic acid
+c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)Cc2ccc(cc2)OCc3ccccc3	BHP	(s)-5-(4-benzyloxy-phenyl)-4-(7-phenyl-heptanoylamino)-pentanoic acid
+CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O	BHQ	2,5-ditert-butylbenzene-1,4-diol
+c1ccc(c(c1)C[N@@](CC[N@](Cc2cccc(c2O)O)CC(=O)O)CC(=O)O)O	BHR	2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid
+C[C@H]([C@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O	BHS	6s-5,6,7,8-tetrahydrobiopterin
+c1cc(cc(c1)S(=O)(=O)O)Nc2ccc(cc2)C(=C3C=CC(=[NH+]c4ccc(cc4)S(=O)(=O)O)C=C3)c5ccc(cc5)Nc6cccc(c6)S(=O)(=O)O	BHT	n-[4-(bis{4-[(3-sulfophenyl)amino]phenyl}methylene)cyclohexa-2,5-dien-1-ylidene]-4-sulfobenzenaminium
+B(CNC(=O)[C@H](C)CS)(O)O	BHU	[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid
+CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN4CCOCC4)CCN(C3)C(=O)CC5CCN(CC5)C(=O)OC(C)(C)C)C	BHV	tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
+Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3C)OC(=O)C(=C4O)NC(=O)c5c[nH]c(c5C)C(=O)NC6=C(c7ccc(c(c7OC6=O)C)O[C@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)c9ccc([nH]9)C)O)O)O	BHW	coumermycin a1
+C(CC(=O)O)[C@H](C[P@](=O)(CCC(=O)O)O)C(=O)O	BHX	(2s)-2-{[(s)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid
+C[C@@H](CNS(=O)(=O)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C	BHY	n,n'-[biphenyl-4,4'-diyldi(2r)propane-2,1-diyl]dimethanesulfonamide
+c1ccc(cc1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O	BHZ	2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
+CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5	BI1	3-{1-[3-(dimethylamino)propyl]-1h-indol-3-yl}-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione
+C[N@@]1CCC[C@@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	BI2	3-(1h-indol-3-yl)-4-(1-{2-[(2s)-1-methylpyrrolidinyl]ethyl}-1h-indol-3-yl)-1h-pyrrole-2,5-dione
+c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN	BI3	3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione
+C[N@]1CCC[C@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	BI4	3-(1h-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1h-indol-3-yl}-1h-pyrrole-2,5-dione
+c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3	BI5	4-phenoxy-n-(pyridin-2-ylmethyl)benzamide
+CC[C@@H](C(=O)N[C@H]1C=CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)N=C	BI6	(3s,6s,7z,10as)-n-(diphenylmethyl)-6-{[(2s)-2-(methylideneamino)butanoyl]amino}-5-oxo-1,2,3,5,6,9,10,10a-octahydropyrrolo[1,2-a]azocine-3-carboxamide
+C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C1=O)c4cc(on4)c5ccc(s5)Cl	BI7	3-[(3~{a}~{s},4~{r},8~{a}~{s},8~{b}~{r})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{h}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
+Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN	BI8	3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione
+CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl	BI9	2-({5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}amino)-n-methylbenzamide
+c1cc(cc(c1)N2CCN(CC2)CCC(=O)c3cc(c(c(c3)O)O)[N+](=O)[O-])C(F)(F)F	BIA	1-(3,4,dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl) phenyl] piperazin-1-yl}propan-1-one
+C[C@@H](CN)C(=O)[O-]	BIB	beta-amino isobutyrate
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N	BIC	3-amino-3-benzyl-9-carboxamide[4.3.0]bicyclo-1,6-diazanonan-2-one
+C\C=C\C(=O)C[C@H]1CC[C@@H]([C@@H](O1)CC(=O)NC[C@@H]([C@H](C)C(=O)NCCC[C@@H]2[C@H](CC[C@@]3(O2)CCC[C@H](O3)CC[C@H](C)\C=C(/C)\[C@H](C)O)C)O)C	BID	bistramide a
+c1ccc(cc1)C(=O)c2ccc(c(c2[N+](=O)[O-])O)O	BIE	(3,4-dihydroxy-2-nitrophenyl)(phenyl)methanone
+c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)N	BIF	(r)-2-amino-3-(4-phenylcyclohexyl)propanoic acid
+CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	BIG	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol
+c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O	BIH	naphthalene-2,6-disulfonic acid
+CC(C)NS(=O)(=O)c1ccccc1Nc2c(cnc(n2)N=C3C=CC(C=C3OC)N4CC[C@H](C4)NC)Cl	BII	2-{[5-chloro-2-({(1e,4r)-2-methoxy-4-[(3r)-3-(methylamino)pyrrolidin-1-yl]cyclohexa-2,5-dien-1-ylidene}amino)pyrimidin-4-yl]amino}-n-(1-methylethyl)benzenesulfonamide
+CN1CCN(CC1)c2ccc(c(c2)OC)/N=C\3/N=CC(C(=N3)Nc4cccc5c4C(=O)N(C5)C)Cl	BIJ	7-{[(2z,5s)-5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]imino}-2,5-dihydropyrimidin-4-yl]amino}-2-methyl-2,3-dihydro-1h-isoindol-1-one
+c1cc(cc2c1cc(c(c2)C(=O)O)O)O	BIK	3,7-dihydroxy-2-naphthoic acid
+CC[C@H](C)[C@@H](CC(=O)O)N	BIL	(3r,4s)-3-amino-4-methylhexanoic acid
+CN(C)c1c2ccc(n1)CCCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCCC2)C(=O)NC5=O	BIM	bis-(indole)maleimide pyridinophane
+CC[n+]1c(c(c(c(c1C(=O)O)C(=O)O)c2ccccc2Cl)C(=O)OC(C)C)C	BIN	2,3-dicarboxy-4-(2-chloro-phenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridinium
+C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O	BIO	biopterin
+c1ccc(cc1)C[C@@H](CI)C(=O)O	BIP	2-benzyl-3-iodopropanoic acid
+CCCNC(=O)[C@@H]1Cc2ccc(cc2)Oc3cc(ccc3[N+](=O)[O-])C[C@@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)NC(=O)OCc4ccccc4	BIQ	benzyl [12-(2-amino-2-oxoethyl)-4-nitro-10,13-dioxo-15-[(propylamino)carbonyl]-2-oxa-11,14-diazatricyclo[15 .2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbamate
+C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)c2ccccc2)C[P@@](=O)([C@H](C)N)O	BIR	n-[3-[(1-aminoethyl)(hydroxy)phosphoryl]-2-(1,1'-biphenyl-4-ylmethyl)propanoyl]alanine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(CCCC(F)(F)P(=O)(O)O)(F)F)O)O)O)N	BIS	1,1,5,5-tetrafluorophosphopentylphosphonic acid adenylate ester
+Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O	BIT	(-)-1-phenyl-1,2,3,4-tetrahydro-4-hydroxypyrrolo[2,3-b]-7-methylquinolin-4-one
+C[C@@H](CCBr)[C@@H](C(=O)O)N	BIU	5-bromo-l-isoleucine
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2C(CCCC(C)(C)O)CCCC(C)(C)O	BIV	21-nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, 20-(4-hydroxy-4-methylpentyl)-, (1a,3b,5z,7e)
+c1cc2c(cc1C(=O)O)n(c(c2C3CCCCC3)c4ccoc4)CC(=O)N5CCC(CC5)C(=O)O	BIW	1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-furan-3-yl-1h-indole-6-carboxylic acid
+C(CC(=O)O)[C@H](C[P@](=O)(CC[C@@H](C(=O)O)N)O)C(=O)O	BIX	(2s)-2-{[(s)-[(3s)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid
+CC1([C@@H](NC=C(S1)C(=O)O)C(=O)O)C	BIY	(3s)-2,2-dimethyl-3,4-dihydro-2h-1,4-thiazine-3,6-dicarboxylic acid
+Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3C)C(=O)c4cc5cc(ccc5[nH]4)NC(=O)Nc6ccc7c(c6)cc([nH]7)C(=O)N8C[C@H](c9c8cc(c1c9c(c[nH]1)C)O)C	BIZ	bizelesin
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@@H]([C@H](CO)O)OS(=O)(=O)[O-])O)CO)O)O	BJ1	(1r,2s)-1-[(1s)-1,2-dihydroxyethyl]-3-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxypropyl sulfate
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O	BJ2	(2~{s})-1-[(2~{s})-2-[[(1~{s})-1-[(2~{s})-1-[(2~{s})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
+Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2	BJ4	8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
+CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN	BJ5	desferrioxamine b
+S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71	BJ8	double cubane cluster
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc3ccccc3)\N	BJA	(2s)-1-[(2r)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-n-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
+c1cc2c(cc1S(=O)(=O)n3c4ccc(cc4cc3CCCC(=O)O)Cl)scn2	BJB	4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid
+CC(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCC[C@@H](C3)C(C)(C)N4CCCCC4=O)O	BJC	(1r,3s)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethy l]cyclohexanecarboxamide
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1	BJD	n-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
+C1=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O	BJE	2,2'-anhydro-(1-beta-d-ribofuranosyl)uracil
+CC(C)Cc1c(n(c(n1)[C@H](CC(C)C)N)CC(=O)O)O	BJF	{2-[(1s)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1h-imidazol-1-yl}acetic acid
+Cc1ccc(cc1c2c(cc(n2C)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N)Cl	BJG	2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1h-pyrrole-3-carboxamide
+B([C@H](Cc1cccc(c1O)C(=O)O)NC(=O)C)(O)O	BJH	1(r)-1-acetamido-2-(3-carboxy-2-hydroxyphenyl)ethyl boronic acid
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)C)(O)O	BJI	1(r)-1-acetamido-2-(3-carboxyphenyl)ethyl boronic acid
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)CCc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1	BJJ	n-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine
+COc1ccc(cc1O)C[NH3+]	BJK	(4-methoxy-3-oxidanyl-phenyl)methylazanium
+CCOC(=O)[C@@H](CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)O	BJL	n-[(3r)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-tyrosine
+C1[C@@H]2C[C@@H]2N([C@@H]1C=N)C(=O)[C@H](C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)N	BJM	(2~{s})-2-azanyl-1-[(1~{s},3~{s},5~{s})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{r},7~{s})-3-oxidanyl-1-ad amantyl]ethanone
+c1cc(cnc1)CC[NH3+]	BJN	2-pyridin-3-ylethylazanium
+C1=CC(=O)C=CC1=CC2=N/C(=C(\CCC(=O)O)/N)/N(C2=O)CC(=O)O	BJO	(4z)-4-amino-4-{1-(carboxymethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,5-dihydro-2h-imidazol-2-ylidene}butanoic acid
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O	BJP	(1r)-2-phenylacetamido-2-(3-carboxyphenyl)ethyl boronic acid
+COC(=O)[C@H](Cc1ccccc1)[NH3+]	BJQ	[(2~{s})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium
+C[C@H]1COCCN1CCCn2c3c(c(n2)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)CN(CC3)C(=O)C(=O)N	BJS	2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3s)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide
+COc1ccc(cc1CNCc2ccccc2)C#Cc3cc(ccc3Cl)c4c5c(n(n4)CCCN6CCOCC6)CCN(C5)S(=O)(=O)C	BJV	n-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine
+CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)CCCC(=O)O)NC(=O)OCc8ccccc8	BJW	4-[(2~{r},3~{a}~{r},5~{r},6~{r},6~{a}~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid
+CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3	BJX	repaglinide
+CS(=O)(=O)N1CCc2c(c(nn2C[C@H](CN3CCC(CC3)c4c[nH]c5c4c[n+](cc5)O)O)c6ccc(cc6)C(F)(F)F)C1	BJY	5-hydroxy-3-{1-[(2s)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1h-pyrrolo[3,2-c]pyridin-5-ium
+CN1C(=O)N(C(=O)[C@]12CN(C[C@H]2c3ccc(cc3)C#N)c4ccc(cn4)C(=O)O)c5cc(cc(c5)Cl)Cl	BJZ	6-[(5s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid
+CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N	BK1	1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)(C)n1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N	BK2	1-tert-butyl-3-naphthalen-2-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc2c(c1)cccc2Cc3c4c(ncnc4n(n3)CC5CCNCC5)N	BK3	3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N	BK4	3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N	BK5	3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N	BK6	3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N	BK7	3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2cc(ccc2c1)c3cc(cc4c3c([nH]n4)N)CN5CCNCC5	BK8	4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2h-indazol-3-amine
+CCOc1c2ccccc2ncn1	BK9	4-ethoxyquinazoline
+CCCCC(=O)CC(=O)O	BKA	3-oxoheptanoic acid
+C[C@@H](C/C=C/CC/C=C/C=C\C[C@H](/C(=C\C=C(/C)\C(=O)O)/C)OC)/C=C/C(=C\C(=O)O)/CC(=O)O	BKC	bongkrekic acid
+CC(=O)N1CCc2c(c(nn2CC3CC3)c4cccc5c4cc[nH]5)C1	BKD	1-[1-(cyclopropylmethyl)-3-(1h-indol-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
+COc1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccccc4	BKE	7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C[C@H]1[C@@H]2C[C@]([C@@H](C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O	BKF	(1s,2s,3s,5s,6s,16z,18z,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate
+c1cc(c(cc1S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)Cl)Cl	BKH	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Br	BKI	5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+CC(=O)N1CCc2c(c(nn2C3CCOCC3)c4cccc5c4cnc(c5)c6cnn(c6)C)C1	BKJ	1-{3-[3-(1-methyl-1h-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+c1cc(cc(c1)Cl)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	BKK	(2~{s},3~{r},4~{s},5~{r},6~{r})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+C[C@H]1[C@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)OC)(NC(=O)O2)O	BKL	(1r,2s,3s,5s,6s,16e,18e,20r,21s)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione
+CC/C(=C\C(=O)C[C@H](C)C[C@@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C)[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)O)O)/C=C	BKM	(2z)-2-[(1r)-3-{[(2r,3s,4r,7s,8s,11s,13r,16e)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
+CCOC(=O)CCCC(=O)C	BKN	ethyl 5-oxohexanoate
+c1ccc(cc1)/C=C/c2ccccc2OCCCC(=O)N3CC(CC3C(=O)N4CCSC4)O	BKO	1-[4-oxidanyl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-yl]-4-[2-[(~{e})-2-phenylethenyl]phenoxy]butan-1-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N	BKP	5'-o-[(s)-hydroxy{[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
+CCOC(=O)CCC(=O)C	BKQ	ethyl levulinate
+CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O	BKR	deacetyltaxol
+c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Cl	BKS	5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C[C@H]1[C@@H]2C[C@@]([C@H](/C=C/C=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CC(C)(C)SSC)C)C)OC)(NC(=O)O2)O	BKU	(1s,2s,3s,5r,6s,16e,18e,20s,21r)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name)
+c1ccc(cc1)c2cn(c3c2C(=O)NC=N3)c4ccc(cc4)Br	BKV	7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)O	BKW	2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@H]([C@@]4([C@@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O	BKX	(1s,2r,3r,5r,6r,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name)
+c1ccc(c(c1)C=C2C(=O)c3ccccc3C2=O)OCc4ccc(cc4)C(=O)O	BKY	4-({2-[(1,3-dioxo-1,3-dihydro-2h-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid
+CC(=O)CCc1ccc(cc1)O	BKZ	4-(4-hydroxyphenyl)butan-2-one
+CN(C)c1nnc(s1)CS(=O)(=O)N	BL0	1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide
+C[C@H]1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl	BL1	4-chloro-n-[(2s)-2-methyl-2,3-dihydro-1h-indol-1-yl]-3-sulfamoylbenzamide
+CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C	BL2	n-(tert-butoxycarbonyl)-l-leucine
+Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	BL3	3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+Cc1cccc2c1C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O	BL4	(3as)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one
+CCCC[C@@H](CNNC[C@H](CCCC)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc2ccccc2	BL5	2-{n'-[2-(5-amino-1-phenylcarbamoyl-pentylcarbamoyl)-hexyl]-hydrazinomethyl}-hexanoic acid(5-amino-1-phenylcarbamoyl-pentyl)-amide
+Cc1ccc2c(c1)N=C3[C@](C2=O)(CCN3c4ccccc4)O	BL6	(3as)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one
+c1ccc(cc1)N2CC[C@@]3(C2=Nc4ccccc4C3=O)O	BL7	(3as)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one
+Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C=C\3/C(=C(C(=N3)/C=C\4/[C@@H]([C@H](C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	BL8	3-[2-[(z)-[5-[(z)-[(3r,4r)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C=C)C)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	BLA	biliverdine ix alpha
+Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=[NH2+])N)O	BLB	bleomycin b2
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O	BLD	brassinolide
+B([C@H](CC(C)C)N)(O)O	BLE	leucine boronic acid
+c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)NCCN6CCOCC6)Cl	BLF	6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-n-[2-(morpholin-4-yl)ethyl]-1h-indole-2-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O	BLG	4-o-(4-o-sulfonyl-n-acetylglucosamininyl)-5-methylhydroxy-l-proline-taurine
+c1ccc(cc1)CS(=O)(=O)[N@]2C[C@@H]3CC[C@H](N3C(=O)C2)C(=O)NCC4CCN(CC4)C(=NO)N	BLI	4-oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [1-(n-hydroxycarbamimidoyl)-piperidin-4-ylmethyl]-amide
+C[As](=O)(CC[C@@H](C(=O)O)N)O	BLJ	(2s)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid
+CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	BLK	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2s)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
+c1ccc(cc1)CC[C@H]([C@H]([C@@H]([C@@H](CCc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	BLL	(2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide
+Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O	BLM	bleomycin a2
+CC(C)C[C@@H](C(=O)N[C@@H](COCc1ccccc1)C#N)NC(=O)N2CCOCC2	BLN	morpholine-4-carboxylic acid [1s-(2-benzyloxy-1r-cyano-ethylcarbamoyl)-3-methyl-butyl]amide
+[H]/N=C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)O)N	BLO	1-(4-{[(3r)-3-amino-5-{[(z)-amino(imino)methyl](methyl)amino}pentanoyl]amino}-2,3,4-trideoxy-d-erythro-hex-2-enopyranuronosyl)-4-hydroxypyrimidin-2(1h)-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CNNC(=O)CNC(=O)c2ccccc2[N+](=O)[O-])O	BLP	(5-hydroxy-6-methyl-4-((2-(2-(2-nitrobenzamido)acetyl)hydrazinyl)methyl)pyridin-3-yl)methyl dihydrogen phosphate
+c1cc(ccc1C(=O)NCCC(=O)O)N/N=C/2\C=CC(=O)C(=C2)C(=O)O	BLQ	(3e)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid
+Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	BLR	3-[5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+[H]/N=C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N	BLS	blasticidin s
+C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O	BLT	1,4-dideoxy-1,4-[[2r,3r)-2,4-dihydroxy-3-(sulfoxy)butyl]episelenoniumylidene]-d-arabinitol inner salt
+Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C)\C=C/3\C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N3)C=C)C)C=C	BLV	biliverdin ix gamma chromophore
+B([C@H](CCCC[NH3+])N)(O)O	BLY	lysine boronic acid
+C[C@H](c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(c(c4)OC)OC	BLZ	5-[5,6-bis(methyloxy)-1h-benzimidazol-1-yl]-3-{[1-(2-chlorophenyl)ethyl]oxy}-2-thiophenecarboxamide
+CCCCn1cc[n+](c1)C	BM0	1-butyl-3-methyl-1h-imidazol-3-ium
+Cc1cccc(c1)[C@@]23c4ccccc4C(=O)N2CCS3	BM1	(r)-(+)9b-(3-methyl)phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bh)-one
+c1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3CNC(=O)CCCNC(=N)N	BM2	s-(r*,r*)]-4-[aminoiminomethyl)amino]-n-[[1-[3-hydroxy -2-[(2-naphthalenylsulfonyl)amino]-1-oxopropyl]-2-pyrrolidinyl] methyl]butanamide
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	BM3	2-acetamido-2-deoxy-alpha-d-mannopyranose
+CC[C@]1(CCCC[N@](C1)CCCCCCCCC[N@]2CCCC[C@](C2)(CC)c3cccc(c3)O)c4cccc(c4)O	BM4	3-[(3r)-3-ethyl-1-{9-[(3s)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol
+COC(=O)[C@@H]1CS[C@]2(N1C(=O)c3c2cccc3)c4ccccc4	BM5	(r)-(+) 5(9bh)-oxo-9b-phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-3-carboxylic acid methyl ester
+CC1(CCC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])(C)C)C	BM6	4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-[1,3]dioxolan-2-yl]-benzoic acid
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	BM7	2-acetamido-2-deoxy-beta-d-mannopyranose
+Cc1cc(ccc1N)c2nc3ccccc3s2	BM8	4-(1,3-benzothiazol-2-yl)-2-methyl-aniline
+[H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)NC[C@@H]2CCCN2C(=O)[C@H](CO)NS(=O)(=O)c3ccc4ccccc4c3	BM9	[s-(r*,r*)]-1-(aminoiminomethyl)-n-[[1-[n-[(2-naphthalenylsulfonyl)-l-seryl]-3-pyrrolidinyl]methyl]-3-piperidenecarboxa mide
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O	BMA	beta-d-mannopyranose
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCNCc5ccccc5)NC	BMB	(3s,6s,7r,9as)-7-[2-(benzylamino)ethyl]-n-(diphenylmethyl)-6-{[(2s)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide
+Cn1c(cc(n1)c2ccc3c(c2)OCO3)C(=O)O	BMC	3-(1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazole-5-carboxylic acid
+CCCC(=O)N	BMD	butyramide
+C(CS)O	BME	beta-mercaptoethanol
+CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C	BMF	bromosporine
+C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cnc[n+]3C2)C(=O)[O-])[C@H](C=O)[C@@H](C)O	BMG	(4r,5s)-3-(6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-4-meth yl-4,5-dihydro-1h-pyrrole-2-carboxylate
+C[C@@H]1[C@@H](NC(=C1S[C@H]2Cn3cnc[n+]3C2)C(O)[O-])[C@@H]([C@@H](C)O)C(=O)O	BMH	5h-pyrazolo(1,2-a)(1,2,4)triazol-4-ium, 6-((2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-6,7-dihydro-, hydroxide, inner salt, (4r-(4alpha,5beta,6beta(r*)))-
+Cc1cc(cc2c1[nH]c(n2)C3=C(C=CNC3=O)NCc4ccccn4)n5ccnc5	BMI	3-[5-(1h-imidazol-1-yl)-7-methyl-1h-benzimidazol-2-yl]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1h)-one
+CC[C@@H](C)CCCCCCCCCCC(=O)O	BMJ	(12r)-12-methyltetradecanoic acid
+C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4	BMK	(5s,10r)-5-methyl-10,11-dihydro-5h-5,10-epiminodibenzo[a,d][7]annulene
+c1cc(ccc1O)Br	BML	4-bromophenol
+CBr	BMM	bromomethane
+COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	BMN	(1r)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-o-phosphono-d-erythro-pentitol
+c1ccc2c(c1)c(c3ccccc3n2)NCCCNCCCNc4c5ccccc5nc6c4cccc6	BMO	n-acridin-9-yl-n'-[3-(acridin-9-ylamino)propyl]propane-1,3-diamine
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O	BMP	6-hydroxyuridine-5'-phosphate
+C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	BMQ	1-(5'-phospho-beta-d-ribofuranosyl)barbituric acid
+COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	BMR	((2r,3s,5r)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate
+CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4cc5ccccc5nc4)C	BMS	4-[(4,4-dimethyl-1,2,3,4-tetrahydro-[1,2']binapthalenyl-7-carbonyl)-amino]-benzoic acid
+C/C=C/C[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O	BMT	4-methyl-4-[(e)-2-butenyl]-4,n-methyl-threonine
+CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl	BMU	1-(5-tert-butyl-2-methyl-2h-pyrazol-3-yl)-3-(4-chloro-phenyl)-urea
+c1ccc(cc1)C[C@@H]2CN(c3ccc(cc3C[N@]2S(=O)(=O)c4cccs4)C#N)Cc5c[nH]cn5	BMV	3-benzyl-1-(1h-imidazol-4-ylmethyl)-4-(thien-2-ylsulfonyl)-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile
+c1cc(cc(c1)O)c2c3c(nc(n2)N4CCOCC4)N(CC3)c5ccc6c(c5)nc[nH]6	BMW	3-[7-(1h-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl]phenol
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O	BMX	2-acetamido-2-deoxy-6-o-phosphono-alpha-d-mannopyranose
+c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O	BMZ	2-(2-hydroxy-phenyl)-1h-benzoimidazole-5-carboxamidine
+Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N	BN1	(s)-2-amino-3-[3-hydroxy-5-(2-methyl-2h-tetrazol-5-yl)isoxazol-4-yl]propionic acid
+c1ccc(c(c1)C(=O)NC(=O)Nc2cc(c(c(c2)Cl)OCCCCCCC(=O)O)Cl)Cl	BN2	7-[2,6-dichloro-4-({[(2-chlorobenzoyl)amino]carbonyl}amino)phenoxy]heptanoic acid
+c1cc(c(cc1OCCCC(=O)O)Cl)NC(=O)NC(=O)c2ccc(cc2Cl)Cl	BN3	4-[3-chloro-4-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)phenoxy]butanoic acid
+Cc1c(c(ccc1NC(=O)NC(=O)c2ccc(cc2Cl)Cl)OCCCC(=O)O)C	BN4	4-[4-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)-2,3-dimethylphenoxy]butanoic acid
+Cc1c(cccc1OCCCCC(=O)O)NC(=O)NC(=O)c2ccc(cc2Cl)Cl	BN5	5-[3-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)-2-methylphenoxy]pentanoic acid
+CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)O)O	BN6	(2s,8r,9s,15s)-15-cyclohexyl-9,12-bis(cyclopropylmethyl)-8-hydroxy-20-methyl-4,7,11,14,17-pentaoxo-2-phenyl-18-oxa-3,6,10,12,13,16-hexaazahenicosan-1-oic acid
+CC(C)COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2	BN7	2-methylpropyl 5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoate
+c1ccc2c(c1)cccc2CC(Cc3cccc4c3cccc4)C(=O)O	BNA	bis-(naphthyl-1-methyl) acetic acid
+Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)C(=O)N6CCN(CC6)C)C	BNB	n-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
+CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	BNC	5-beta-24-nor-cholane-3(alpha),7(alpha),12(alpha)-triol
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(C(=O)O)OC)O	BND	methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+CC[C@]1(CCCCN(C1=O)C)c2cccc(c2)Oc3cc(ccc3C#N)[C@@](C)(c4cncn4C)N	BNE	2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[1-amino-1-(1-methyl-1h-imidizol-5-yl)-ethyl]-benzonitrile
+c1ccc(cc1)CNC=O	BNF	n-benzylformamide
+CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	BNG	nonyl beta-d-glucopyranoside
+CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)O	BNH	[(n-{3-[(n-{cyclohexyl[(isobutoxycarbonyl)amino]acetyl}-3-cyclopropylalanyl)amino]-4-cyclopropyl-2-oxobutanoyl}glycyl)amino](phenyl)acetic acid
+c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-]	BNI	5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4-nitro-phenyl)-amide
+c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(=O)N3	BNJ	n-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
+c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=O)NC3CCCC3)Cl	BNK	2-chloro-n-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
+c1ccc(cc1)c2ccccc2	BNL	biphenyl
+c1c(cc(cc1NC(=O)C2CC2)S(=O)(=O)NC3CCCC3)C4=CSC(=O)N4	BNM	n-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
+[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C)/N	BNN	acetyl-p-amidinophenylalanine
+B([C@H](CCCC)N)(O)O	BNO	norleucine boronic acid
+c1ccc(cc1)COCCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3OCc4ccc5ccccc5c4	BNP	(3r,4r)-4-{4-[3-(benzyloxy)propoxy]phenyl}-3-(2-naphthylmethoxy)piperidine
+c1ccc(cc1)C(CC(=O)Nc2nc3ccccc3s2)c4ccccc4	BNQ	~{n}-(1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)O)[NH2+]Cc6ccc(cc6)C[NH2+][C@@H]7[C@@H](O[C@H](C[C@@H]7O)O[C@H]8C[C@@](Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O)C	BNR	bis-daunorubicin
+c1ccc(cc1)S(=O)(=O)O	BNS	benzenesulfonic acid
+CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br	BNT	2,5-dibromo-3-isopropyl-6-methylbenzo-1,4-quinone
+CCN1C=C(C(=O)c2c1cc(c(c2)Br)N3CCNCC3)C(=O)O	BNU	6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
+CC[C@H](C)CCCCCCCCCCC(=O)O	BNV	(12s)-12-methyltetradecanoic acid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	BNW	udp-n-acetyl-muramic acid-4'phosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O)O	BNX	2-o-phosphono-beta-d-glucopyranose
+Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O	BNY	2-[(2-methyl-3-nitrophenyl)amino]benzoic acid
+c1ccccc1	BNZ	benzene
+C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1O2)O)O)CO	BO0	(1~{s},2~{s},3~{r},4~{r},6~{r})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol
+c1cc(ccc1N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)S(=O)(=O)N	BO1	n-(4-sulfamoylphenyl)-beta-d-glucopyranosylamine
+B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O	BO2	n-[(1r)-1-(dihydroxyboryl)-3-methylbutyl]-n-(pyrazin-2-ylcarbonyl)-l-phenylalaninamide
+B(O)(O)O	BO3	boric acid
+[B-](O)(O)(O)O	BO4	borate ion
+CN1CC/C=C/CCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O	BO5	(9e)-19-chloranyl-13-methyl-16,18-bis(oxidanyl)-13-azabicyclo[13.4.0]nonadeca-1(15),9,16,18-tetraene-3,14-dione
+C[n+]1ccc(cc1)/C=C/c2cc3c4c([nH]c3cc2)ccc(c4)/C=C/c5cc[n+](cc5)C	BO6	3,6-bis[(e)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9h-carbazole
+COc1cccc(c1C(=O)O)OC	BO7	2,6-dimethoxybenzoic acid
+[B-]([C@@H](C)NC(=O)CCCC[C@H](C(=O)O)N)(O)(O)O	BO8	(d-alpha-aminopimelylamino)-d-1-ethylboronic acid
+B([C@@H](C)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)(O)O	BO9	n1-[(1r)-1-(dihydroxyboryl)ethyl]-n2-[(tert-butoxycarbonyl)-d-gamma-glutamyl]-n6-[(benzyloxy)carbonyl-l-lysinamide
+c1[nH]c2c(n1)nc(nc2O)Br	BOA	2-bromo-6-hydroxy-purine
+CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O	BOB	(s)-2-amino-5-((r)-1-(carboxymethylamino)-3-((3s,4r)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
+CC(C)(C)OC(=O)O	BOC	tert-butyl hydrogen carbonate
+COc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N	BOD	5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCc3ccccc3	BOE	2'-o-[2-(benzyloxy)ethyl] thymidine-5'-monophosphate
+Cc1ccc(cc1)n2c(nnc2c3ccc4c(c3)N([C@@H](C(=O)N4C)C)C5CC5)C	BOF	(3r)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4h-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1h)-one
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	BOG	octyl beta-d-glucopyranoside
+C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)O)C(=O)C)N	BOH	(2~{r})-2-azanyl-~{n}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide
+CN1/C(=N/OCc2ccc(cc2)Cl)/C=CN(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O	BOI	[[(2~{r},3~{s},4~{r},5~{r})-5-[(4~{e})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+CCCc1c(c(nc(n1)N)N)N2CCN(CC2)c3ccccc3	BOJ	5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine
+c1ccc(cc1)NC(=O)c2ccccc2I	BOL	2-iodo-n-phenylbenzamide
+CCC\C=C/C=C/CCCCCCCCCO	BOM	hexadeca-10,12-dien-1-ol
+B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NS(=O)(=O)N	BON	n-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide
+COc1ccc(cc1)Br	BOP	1-bromo-4-methoxybenzene
+CCOC(=O)c1cc(oc1CN)C(C)(C)C	BOQ	ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate
+B([C@H](CCCNC(=N)N)N)(O)O	BOR	(1r)-1-amino-4-{[(e)-amino(imino)methyl]amino}butylboronic acid
+c1ccc(c(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)N)S	BOS	n-[4-(aminosulfonyl)phenyl]-2-mercaptobenzamide
+c1ccc2c(c1)ncs2	BOT	benzothiazole
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2ccccc2c3ccccc3C(=O)O)C(=O)O)C	BOU	(2r,4s)-2-[(1r)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CCCCCCCCOS(=O)(=O)N	BOW	octyl sulfamate
+c1ccc(cc1)C(=O)O	BOX	benzoic acid
+Cc1ccc(cc1)[C@H](O)P(=O)(O)O	BOY	[(r)-hydroxy(4-methylphenyl)methyl]phosphonic acid
+c1cc2c(cc1C(N)N)NC3=[N]2[Zn+2][N]4=C(C3=O)Nc5c4ccc(c5)C(N)N	BOZ	bis(5-amidino-benzimidazolyl)methanone zinc
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O	BP	(-)-7s,8r,9r-trihydroxy-7,8,9,10-tetrahydro benzo[a]pyrene
+C(CSCCc1nnc(s1)N)c2nnc(s2)N	BP0	5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine)
+c1[nH]c2c(n1)ncnc2Br	BP1	6-bromo-7h-purine
+CC1([C@@H]2CC[C@]1([C@H](C2)O[P@](=O)([O-])OP(=O)([O-])[O-])C)C	BP2	(+)-bornyl diphosphate
+c1ccc(c(c1)c2cccc(c2O)O)Cl	BP3	2'-chloro-biphenyl-2,3-diol
+c1ccc(cc1)c2ccc(cc2)CC(=O)O	BP4	biphenyl-4-ylacetic acid
+c1ccnc(c1)c2ccc(cn2)C[C@@H](C(=O)O)N	BP5	3-(2,2'-bipyridin-5-yl)-l-alanine
+c1cc(c(c(c1)O)O)c2c(cccc2Cl)Cl	BP6	2',6'-dichloro-biphenyl-2,6-diol
+c1ccc(cc1)c2ccc(c(c2)O)O	BP7	1,1'-biphenyl-3,4-diol
+C(CCc1nnc(s1)N)CCc2nnc(s2)N	BP8	5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine)
+C(CCc1nnc(s1)N)Cc2nnc(s2)N	BP9	5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine)
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@@H]([C@H]4O)O)O	BPA	7s,8r,9r-trihydroxy-7,8,9,10-tetrahydro benzo[a]pyrene
+C/C=C\1/c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C	BPB	bacteriopheophytin b
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O	BPC	(7r,8r,9r)-7,8,9,10-tetrahydrobenzo[def]chrysene-7,8,9-triol
+c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C(=O)O)C(F)(F)F	BPD	n-(m-trifluoromethylphenyl) phenoxazine-4,6-dicarboxylic acid
+C(CN)CSC[C@@H](CO)N	BPE	(2s)-2-amino-3-[(3-aminopropyl)sulfanyl]propan-1-ol
+CC/[NH+]=C(\N)/c1ccc(cc1)c2oc(cc2)c3ccc(cc3)/C(=[NH+]/CC)/N	BPF	n,n'-(furan-2,5-diylbis{benzene-4,1-diyl[(z)-aminomethylylidene]})diethanaminium
+c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2	BPG	9-(4-hydroxybutyl)-n2-phenylguanine
+CCC1c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C	BPH	bacteriopheophytin a
+c1ccc2c(c1)ccc3c2c4c(cc3)[C@H]([C@@H]([C@@H](C4)O)O)O	BPI	(1s)-1,2,3,4-tetrahydro-benzo[c]phenanthrene-2,3,4-triol
+c1ccc2c(c1)ccc3c2c4c(cc3)[C@@H]([C@H]([C@H](C4)O)O)O	BPJ	(1r)-1,2,3,4-tetrahydro-benzo[c]phenanthrene-2,3,4-triol
+Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO	BPK	{3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol
+CNC(=O)Nc1c2ccccc2c3ccc4cccc5c4c3c1cc5	BPL	1-benzo[a]pyren-6-yl-3-methyl-urea
+c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP(=O)(O)O	BPM	4-phosphonooxy-phenyl-methyl-[4-phosphonooxy]benzen
+c1cc(ccc1CO)[N+](=O)[O-]	BPN	paranitrobenzyl alcohol
+[H]/N=C(\c1cccc(c1)C(=O)N[C@H](c2ccccc2)C(=O)N3CCC(CC3)C(=O)c4ccccc4)/N	BPO	3-[(z)-amino(imino)methyl]-n-[2-(4-benzoyl-1-piperidinyl)-2-oxo-1-phenylethyl]benzamide
+[H]/N=C(\c1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)Cc4ccccc4)/N	BPP	2-(4-benzylpiperidine-1-carbonyl)-1h-indole-5-carboximidamide
+CC(C)(C)OC(=O)NCc1c[nH]c2c1C(=O)NC(=N2)N	BPQ	tert-butyl [(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate
+B([C@@H]1CCCN1C(=O)[C@@H]2CCCN2)(O)O	BPR	(2r)-n-[(2r)-2-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-n-[(5r)-5-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-l-prolinamide
+c1ccc(cc1)c2ccccc2[S@](=O)O	BPS	1,1'-biphenyl-2-sulfinic acid
+C(CC[NH2][Pt]([NH3])([NH3])Cl)C[NH2][Pt]([NH3])([NH3])Cl	BPT	bis(trans-platinum ethylenediamine diamine chloro)complex
+c1cc2n(c1)-c3ccc(cc3NC2=O)Br	BPU	7-bromopyrrolo[1,2-a]quinoxalin-4(5h)-one
+C(C(=O)C(=O)O)Br	BPV	bromopyruvate
+c1cc(ccc1CCCN)Cl	BPW	3-(4-chlorophenyl)propan-1-amine
+c1ccc(cc1)C[C@H](CC(C[N+](=O)[O-])(O)O)C(=O)O	BPX	(2r)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid
+c1ccc(cc1)c2cccc(c2O)O	BPY	biphenyl-2,3-diol
+c1cc(ccc1C2(CCCCC2)c3ccc(cc3)O)O	BPZ	4,4'-cyclohexane-1,1-diyldiphenol
+Cc1ccc(c(c1)C)n2c(nc(n2)C(=O)N3CCN(CC3)C)c4ccc5c(c4)N([C@@H](C(=O)N5C)C)C6CCCC6	BQ0	(3r)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1h-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1h)-one
+CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O	BQ1	bedaquiline
+c1ccc2c(c1)CCN(C2)C(=O)CO	BQ2	1-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-ethanone
+CC(C)(C)OC(=O)N1CCc2ccc(cc2C1)N	BQ3	tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1h)-carboxylate
+c1cc(cc(c1)O)C(=O)/C=C(/C(=O)O)\O	BQ4	(2z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid
+c1ccc(cc1)n2c3c(c(n2)CN)CCC3	BQ5	(1-phenyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)methanamine
+Cc1cc2c(cc1F)OC[C@H](C2)NS(=O)(=O)c3cc(c([nH]3)C)C(=O)N4CC(C4)(C)C#N	BQ6	4-(3-cyano-3-methylazetidine-1-carbonyl)-n-[(3s)-7-fluoro-6-methyl-3,4-dihydro-2h-1-benzopyran-3-yl]-5-methyl-1h-pyrrole-2-sulfonamide
+c1ccc(cc1)[C@@H](C(C(=O)O)(F)F)N	BQ7	(3s)-3-amino-2,2-difluoro-3-phenylpropanoic acid
+[H]/N=C(/N)\N[C@H](C)C(=O)Nc1nc(c(s1)c2cc(cc(c2)O)O)C(=O)C	BQ8	(2~{r})-~{n}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
+CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCC/C=C/C/C=C/C/C=C/CC	BQ9	(2r)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5e,8e,11e)-tetradeca-5,8,11-trienoate
+c1ccc(c(c1)CN2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](CC4CC4)C(=O)O)C(F)(F)F	BQA	n-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-l-alanine
+c1cc(ccc1/N=N/c2cc(c(c(c2)I)O)C(=O)O)[N+](=O)[O-]	BQB	5-(4-nitrophenylazo)-3-iodosalicylic acid
+c1ccc(cc1)C2=NC(=O)C3=C(N2)CCN(C3)C(=O)c4ccc5c(c4)CS(=O)(=O)N5	BQC	5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4h)-carbonyl)-1,3-dihydro-2h-2lambda~6~,1-benzothiazole-2,2-dione
+CCC(=O)N1CC[C@H]([C@H]1C(=O)Nc2ccc3cc(ccc3c2)Br)O	BQD	(3r)-n-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-l-prolinamide
+CC(=O)C1=C(S/C(=N\C(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F)/N1)c4cc(cnc4)N	BQE	(~{n}~{z},2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{h}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide
+c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4ccc(cc4)C(=O)O)C(=O)O2	BQF	4-(5-oxo-1,5-dihydro-2h-[1]benzopyrano[3,4-c]pyridine-3(4h)-carbonyl)benzoic acid
+CC(=O)c1csc(n1)NC(=O)[C@@H]2CNCCN2	BQH	(2~{s})-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
+CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)C(=O)CN(C)C	BQJ	2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one
+CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc(cc(c3)O)O	BQK	(2~{r})-~{n}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OC[C@@H](C=O)N)O)O	BQL	[(2~{s})-2-azanyl-3-oxidanylidene-propyl] [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1cc(cc(c1)Sc2ccc(c(c2C(F)(F)F)C(F)(F)F)\C=C\C(=O)N3CCOCC3)N	BQM	3-({4-[(1e)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline
+c1ccc(c(c1)OCc2cccnc2)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)\C=C\C(=O)N4CCOCC4	BQN	4-{(2e)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine
+C[C@H]([C@@H](C=O)N)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O	BQO	[(2~{r},3~{s})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1cc(c(cc1c2c3c(n(n2)CCCO)CCN(C3)C(=O)CC4CCN(CC4)CC5CCCCC5)SCCN6CCC(CC6)F)C(F)(F)F	BQP	2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+CC(=O)c1c(sc(n1)NC(=O)[C@@H]2CNCCN2)c3cc(cnc3)N	BQQ	(2~{s})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide
+CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(c(c3)OC)OC	BQR	n~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-n-methylglycinamide
+CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)CC6CCCCC6	BQS	2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+C[C@H](C(=O)Nc1nc2c(s1)CCCC2=O)N	BQT	(2~{r})-2-azanyl-~{n}-(4-oxidanylidene-6,7-dihydro-5~{h}-1,3-benzothiazol-2-yl)propanamide
+c1ccc(cc1)OCc2nc(cs2)c3ccc(c(c3)CCC(=O)O)N	BQU	3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid
+CS(=O)(=O)NC(=O)c1cccc(c1)CSc2cccs2	BQV	n-(methylsulfonyl)-3-{[(thiophen-2-yl)sulfanyl]methyl}benzamide
+[H]/N=C(/N)\N[C@H](C)C(=O)NC1NC(CS1)C(=O)C	BQW	(2~{r})-2-carbamimidamido-~{n}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide
+c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)NCCCC[C@H]3C4C(CS3)NC(=O)N4)N	BQX	1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{s})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea
+COc1ccccc1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	BQY	2-methoxyphenyl beta-d-galactopyranoside
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O)O)O)O)O	BQZ	galactinol
+[Br-]	BR	bromide ion
+c1cc(c2c(c1C(=O)O)N[C@H]([C@@H]3[C@H]2C=CC3)C(=O)O)[N+](=O)[O-]	BR0	(3as,4r,9br)-9-nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4,6-dicarboxylic acid
+c1ccc(cc1)CCCCCC[C@@H](c2ncc(o2)c3ccc(cn3)CBr)O	BR1	(1s)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol
+COC1=NN=C2C1=CC(C=N2)NC(=O)c3c(ccc(c3F)NS(=O)(=O)c4ccccc4)F	BR2	2,6-difluoro-n-[(5s)-3-methoxy-5h-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide
+Cc1ccc2c(c1)CC[C@H](O2)C[P@H](=O)[O-]	BR3	(6-methyl-3,4-dihydro-2h-chromen-2-yl)methylphosphinate
+c1ccc(cc1)CCCCCCC(=O)N[C@H](CCc2ccccc2)CCC(=O)O	BR4	6-phenyl-4(r)-(7-phenyl-heptanoylamino)-hexanoic acid
+CCOCC[P@H](=O)[O-]	BR5	2-ethoxyethylphosphinate
+[H]/N=C(/c1ccc(cc1)/C=N/c2ccc(cc2)Br)\N	BR6	(e)-4-((4-bromophenylimino)methyl)benzimidamide
+C[C@@]12C[C@]3(CC(C1)(CC(C2)(C3)Br)N)C	BR7	bromomemantine
+C1C(=O)NC(=O)NC1=O	BR8	barbituric acid
+c1c(cnc(c1N)N)Br	BR9	5-bromopyridine-2,3-diamine
+CN(C)c1ccc(cc1)Nc2c3ccc(cc3nc4c2ccc(c4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6	BRA	9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine
+c1cc(ccc1CO)Br	BRB	para-bromobenzyl alcohol
+C(CCCCCC(=O)O)CCCCCBr	BRC	12-bromododecanoic acid
+C1=CNC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	BRD	1-beta-ribofuranosyl-1,3-diazepinone
+Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4)F)C(=O)O	BRE	2-biphenyl-4-yl-6-fluoro-3-methyl-quinoline-4-carboxylic acid
+Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)O	BRF	6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methylquinoline-4-carboxylic acid
+c12c(nc([nH]1)Br)N=C(NC2=O)N	BRG	8-bromoguanine
+C(c1c(c(no1)O)Br)C(C(=O)O)N	BRH	(s)-2-amino-3-(4-bromo-3-hydroxy-isoxazol-5-yl)propionic acid
+C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC	BRI	(o4)-methyl-2-deoxyfucose
+C(CBr)O	BRJ	2-bromoethanol
+COc1ccc(cc1)C(=O)C2=C(N/C(=N/c3ccc(cc3)OC)/S2)N	BRK	{(2z)-4-amino-2-[(4-methoxyphenyl)imino]-2,3-dihydro-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone
+CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3	BRL	2,4-thiazolidiinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-(9cl)
+C(C(=O)O)Br	BRM	2-bromoacetyl group
+c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N	BRN	berenil
+[Br-]	BRO	bromo group
+C=C(CO)Br	BRP	2-bromo-2-propene-1-ol
+c1cc(cc(c1)Cl)Nc2[nH+]c(c(s2)C(=O)c3ccc(cc3)F)N	BRQ	{[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl](4-fluorophenyl)methanone
+CCCC[C@H](CN(C=O)O)C(=O)O	BRR	(2r)-2-{[formyl(hydroxy)amino]methyl}hexanoic acid
+C[C@H](c1ccc(cc1)Cl)c2cc(cc(c2O)[N+](=O)[O-])[N+](=O)[O-]	BRS	2-[1-(4-chloro-phenyl)-ethyl]-4,6-dinitro-phenol
+c1c(cncc1Br)C(=O)N	BRT	5-bromonicotinamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O	BRU	5-bromo-2'-deoxyuridine-5'-monophosphate
+c1(c(c(c(c(c1Br)N)Br)C(=O)O)Br)C(=O)O	BRV	5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid
+c1ccc2c(c1)/C(=N\O)/C(=C/3\c4ccc(cc4NC3=O)Br)/N2	BRW	6-bromoindirubin-3'-oxime
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-]	BRX	bromamphenicol
+c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)Br)/N2	BRY	(2z)-5'-bromo-2,3'-biindole-2',3(1h,1'h)-dione ammoniate
+CC(C)(C=C)C1=Cc2cc3c(cc2OC1=O)O[C@@H](C3)C(C)(C)O	BRZ	6-(1,1-dimethylallyl)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7h-furo[3,2-g]chromen-7-one
+c1ccc(cc1)OCc2nc(cs2)c3ccc4c(c3)CCC(=O)N4	BS0	6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1h-quinolin-2-one
+C[N+]1([C@H]2CC[C@@H]1CC(C2)OC3c4ccccc4CCc5c3cccc5)C	BS1	(3-exo)-3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yloxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
+c1ccc(cc1)C[NH+]2[C@@H]3CC[C@H]2CC(C3)OC4c5ccccc5CCc6c4cccc6	BS2	(3-endo,8-anti)-8-benzyl-3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yloxy)-8-azoniabicyclo[3.2.1]octane
+[Bi+3]	BS3	bismuth(iii) ion
+c1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N	BS4	n-[(4-aminophenyl)sulfonyl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N	BS5	5'-deoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
+CN1CCN(CC1)c2cc3c4c(ccc(c4n2)NS(=O)(=O)c5ccccc5OC)N(C3=O)C	BS6	2-methoxy-n-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide
+c1cc2cccnc2c(c1)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	BS7	8-hydroxyquinoline beta-galactopyranoside
+c1cncc(c1c2ccnc3c2[nH]c(n3)N)F	BS8	7-(3-fluoranylpyridin-4-yl)-1~{h}-imidazo[4,5-b]pyridin-2-amine
+c1ccc(cc1)C(=O)NCCS(=O)(=O)O	BSA	2-(benzoylamino)ethanesulfonic acid
+c1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N	BSB	n-benzyl-4-sulfamoyl-benzamide
+CCCCS(=N)(=O)CC[C@@H](C(=O)O)N	BSC	(2s)-2-amino-4-(s-butylsulfonimidoyl)butanoic acid
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)[N@@](C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O	BSD	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+C([C@@H](CO)C(=O)O)N	BSE	beta-3-serine
+B(CNS(=O)(=O)Cc1ccccc1)(O)O	BSF	{[(benzylsulfonyl)amino]methyl}boronic acid
+B(CNS(=O)(=O)Cc1ccc(cc1)C(=O)O)(O)O	BSG	4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
+B([C@H](Cc1cccc(c1)C(=O)O)NS(=O)(=O)Cc2ccccc2)(O)O	BSH	3-[(2r)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)[N@@]3Cc4ccccc4C[C@@H]3C(=O)O	BSI	2-(biphenyl-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)/N=C\CSCCC(=O)NC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@@H]5[C@H](C[C@H]([C@@H]([C@H]5O)O)N)N)N)O)O)O	BSJ	(3r,9z)-17-[(2r,3s,4r,5r,6r)-5-amino-6-{[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2h-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	BSM	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)-1h-pyrazole-3-carboxamide
+C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2	BSO	biotin-d-sulfoxide
+c1cc(c(cc1C2(c3c(c(c(c(c3Br)Br)Br)Br)C(=O)O2)c4ccc(c(c4)S(=O)(=O)[O-])O)S(=O)(=O)[O-])O	BSP	3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3h)-isobenzofuranylidene)bis [6-hydroxybenzenesulfonic acid]anion
+CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=C[C@@](NC2=O)(N)O)N)C(=N)N	BST	6-(4-amino-4-hydroxy-2-oxo-3,4-dihydro-2h-pyrimidin-1-yl)-3-[3-amino-5-(n-methyl-guanidino)-pent anoylamino]-3,6-dihydro-2h-pyran-2-carboxylic acid
+c1ccc(cc1)NC(=O)Nc2ccccc2	BSU	1,3-diphenylurea
+Cc1ccc(cc1C(=O)/C=C(/C(=O)O)\O)C2CC2	BSV	(2z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+c1c[nH]c2c1c(ccn2)c3ccncc3F	BSW	4-(3-fluoranylpyridin-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+c1ccc(c(c1)CCN)F	BSX	2-(2-fluorophenyl)ethanamine
+O[Se](=O)[O-]	BSY	biselenite ion
+COc1ccc(cc1Cl)S(=O)(=O)O	BSZ	3-chloro-4-methoxybenzenesulfonic acid
+CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC	BT0	2-methoxy-n-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide
+c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)C(=O)c5ccc(nc5)OCCN6CCCC6	BT1	{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-methanone
+c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)Cc5ccc(cc5)OCCN6CCCC6	BT2	3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene
+c1cc(ccc1Cc2c3ccc(cc3sc2c4ccc(nc4)OCCN5CCCC5)O)OCCN6CCCC6	BT3	3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophen-6-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N	BT5	biotinyl-5-amp
+c1ccc(cc1)S	BT6	benzenethiol
+CCC(CC)n1cc(cn1)[C@@H](C(F)F)O	BT7	(1s)-2,2-difluoro-1-[1-(pentan-3-yl)-1h-pyrazol-4-yl]ethan-1-ol
+CCOc1c2ccc(cc2on1)OCCC3CCN(CC3)c4ccc(nn4)C	BT8	3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole
+c1cc(cc(c1)Nc2ccc(cc2)C(F)(F)F)C(=O)O	BT9	3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid
+CCC[C@@H](C(=O)O)N	BTA	4-demethyl-leucine
+C(CO)N(CCO)C(CO)(CO)CO	BTB	2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
+C([C@@H](C(=O)O)N)S	BTC	cysteine
+c1cc(sc1C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O)Br	BTD	5-bromothienyldeoxyuridine
+c1cc(c2c(c1)nsn2)N	BTE	2,1,3-benzothiadiazol-4-amine
+CC1=CC=[N]2C(=C1)C3=CC(=CC=[N]3[Fe]2(C#N)(C#N)(C#N)C#N)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5	BTF	iron(ii) tetracyano-5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4'-methyl-[2,2']bipyridinyl-4-ylmethyl)-amide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccccc2c3cccc(c3)C(=O)O)CO)O)O	BTG	ortho-biphenyl-2'-carboxyl n-acetyl-beta-galactosaminoside
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)c4cccs4	BTH	4-oxo-3-{6-[4-(quinoxalin-2-ylamino)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-pentanoic acid
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC=O)NC(=O)N2	BTI	5-(hexahydro-2-oxo-1h-thieno[3,4-d]imidazol-6-yl)pentanal
+C[C@@H](C(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(=O)NC(CCCCNC(=O)CCCC#C)C(=O)N)NC(=O)[C@H]([C@@H](Cc3ccc(cc3)OCc4ccccc4)N)O	BTJ	n-[(2-{2-[(n-{(2s,3r)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-l-alanyl)amino]ethoxy}ethoxy)acetyl]-4-benzoyl-l-phenylalanyl-n~6~-hex-5-ynoyllysinamide
+CCCC(=O)NCCCC[C@@H](C(=O)O)N	BTK	n~6~-butanoyl-l-lysine
+C[N+](C)(C)CC=O	BTL	betaine aldehyde
+CC[N+](CC)(CC)Cc1ccccc1	BTM	n-benzyl-n,n-diethylethanaminium
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2	BTN	biotin
+c1cc(cc(c1)[N+](=O)[O-])c2nc(on2)CCCC(=O)O	BTO	4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
+c1ccc(cc1)C[C@H](CS)C(=O)O	BTP	2-thiomethyl-3-phenylpropanoic acid
+C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2	BTQ	epi-biotin
+c1cc2c(cc1Br)[nH]cc2C[C@@H](C(=O)O)N	BTR	6-bromo-tryptophan
+c1ccc2c(c1)nc(s2)SCCCS(=O)(=O)O	BTS	3-(2-benzothiazolylthio)-1-propanesulfonic acid
+c1c(c(cc(c1O)O)O)O	BTT	benzene-1,2,4,5-tetrol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O)CO)O)O)O)O)O	BTU	3-o-alpha-d-glucopyranosyl-beta-d-fructofuranose
+c1cc(ccc1Cn2cc(nn2)CCCCC[C@H]3C4C(CS3)NC(=O)N4)C(=O)O	BTV	4-[(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)methyl]benzoic acid
+C[C@H]([C@@H](Cc1ccccc1)C(=O)O)S	BTW	(2s,3r)-2-benzyl-3-sulfanylbutanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OCCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N	BTX	((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl 5-((3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentyl hydrogen phosphate
+Cc1cc2n(n1)C(=NC(=O)N2)N	BTY	4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1h)-one
+[H]/N=C(\N)/NCCCCNC(=O)c1csc(n1)c2cscn2	BTZ	n-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide
+C[C@@H](c1ccccc1)NC(=O)c2cc3c([n+](c2N)Cc4ccccc4)NC5=CC=CC=[N]5C3=O	BU0	6-azanyl-2-oxidanylidene-n-[(1s)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide
+C(CCO)CO	BU1	1,4-butanediol
+C[C@@H](CCO)O	BU2	1,3-butanediol
+C[C@H]([C@@H](C)O)O	BU3	(r,r)-2,3-butanediol
+C[C@H](CCO)O	BU4	(3r)-butane-1,3-diol
+c1c[nH]c2c1c(ccn2)c3nc(cs3)CO	BU5	[2-(1~{h}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol
+c1cc(c(cc1Cl)S(=O)(=O)Nc2cnn(c2)C3CCNCC3)F	BU6	5-chloro-2-fluoro-n-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide
+CCCCN1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S	BU7	(5e)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+c1cc2c(nc1)nc([nH]2)N	BU8	1~{h}-imidazo[4,5-b]pyridin-2-amine
+C[C@H]([C@H](C)O)O	BU9	meso-2,3-butanediol
+CCCC(=O)O	BUA	butanoic acid
+B(CCCC)(O)O	BUB	1-butane boronic acid
+CCCCSSC[C@@H](C(=O)O)N	BUC	s,s-butylthiocysteine
+C[C@@H]([C@H](C)O)O	BUD	(2s,3s)-butane-2,3-diol
+CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C	BUE	nerylneryl pyrophosphate
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O	BUF	bufalin
+CC(C)(C)[C@@H](C(=O)O)N	BUG	3-methyl-l-valine
+C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2c(ccc(n2)NC(=O)c3c(cc(cn3)C(F)(F)F)Cl)F	BUH	~{n}-[6-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide
+CCCCCCCCCCCCCCNC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C	BUI	(3r)-3-{[(tetradecylamino)carbonyl]amino}-4-(trimethylammonio)butanoate
+CCCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C	BUJ	(3r)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](C1NC=CS1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)N[C@H](C)c2ccc(cc2)Br	BUK	n~2~-({[(1r)-1-(4-bromophenyl)ethyl]amino}carbonyl)asparaginyl-n~1~-{4-{[amino(imino)methyl]amino}-1-[2,3-dihydro-1,3-thiazol-2-yl(hydroxy)methyl]butyl}valinamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H](N[C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O	BUL	bulgecin a
+CC(C)(C)[C@@H](C(=O)NC)N	BUM	2-amino-n,3,3-trimethylbutanamide
+c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O	BUN	(2e)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
+CC(=O)C(=O)C	BUO	butane-2,3-dione
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)Br	BUP	5-bromouridine 5'-(tetrahydrogen triphosphate)
+CC(=O)CCO	BUQ	4-hydroxy-2-butanone
+CC(C)(C)c1ccccc1Oc2c(cccn2)NC(=O)Nc3ccc(cc3)OC(F)(F)F	BUR	1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
+CCCC	BUT	butyl group
+c1ccc(c(c1)COc2cc(ccc2O)C[C@@H](C(=O)O)N)[N+](=O)[O-]	BUU	(2~{s})-2-azanyl-3-[3-[(2-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid
+c1ccc(cc1)[C@H]2CCN([C@@H]2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	BUV	4-[[(2~{s},3~{r})-1-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid
+CCN(CC)[C@H](C)CN1c2ccccc2Sc3c1cccc3	BUW	r-ethopropazine
+c1cc(cc(c1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl	BUX	7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione
+c1ccc2c(c1)CCN([C@@H]2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	BUY	4-[[(1~{s})-2-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]benzoic acid
+CC1=CC=CN2C1=Nc3c(cc(c([n+]3C[C@H]4CCCO4)N)C(=O)NCc5cccnc5)C2=O	BV0	6-azanyl-11-methyl-2-oxidanylidene-7-[[(2r)-oxolan-2-yl]methyl]-n-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCN5CCN(CC5)CCCNC(=O)c6cc(cc(c6)O[C@@H]7[C@@H]([C@@H]([C@@H]([C@@H](O7)CO)O)O)O)[N+](=O)[O-]	BV1	[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino] -2-(3-{4-[3-(3-nitro-5-[galactopyranosyloxy]-benzoylamino)-propyl]-piperazin-1-yl} -propyl-amino)-3,4-dioxo-cyclobutene
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC(COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c5cc(cc(c5)O[C@@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)CO)O)O)O)[N+](=O)[O-])N	BV2	1,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propyl-amino]-carbonyloxy)-2-amino-propane
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCNC(=O)OCC(COC(=O)NCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N	BV3	1,3-bis-([[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobu tenyl]-amino-ethyl]-amino-carbonyloxy)-2-amino-propane
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)NCCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N	BV4	1,3-bis-([3-[3-[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobutenyl]-amino-propoxy-ethoxy-ethoxy]-propyl-]amino-carbonyloxy)-2-amino-propane
+c1ccc(c(c1)OC(F)(F)F)S(=O)(=O)NC(=O)CCC2CCNCC2	BV5	3-(4-piperidyl)-n-[2-(trifluoromethoxy)phenyl]sulfonyl-propanamide
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)CO)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	BV6	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol
+C1CNCCC1CCC(=O)O	BV7	3-(4-piperidyl)propanoic acid
+CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCC/N=C(/NCCC(=O)O)\S[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)NC(=O)OCc7ccccc7	BV8	3-[[(~{z})-~{c}-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{n}-[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid
+Cn1cc(cn1)c2cc(cnc2)c3ccc(cc3)C(=O)N	BV9	4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide
+c1ccc(cc1)C2=O[V](ON2)(O)(O)O	BVA	trihydroxy[(n-hydroxybenzamidato)oxo]vanadate
+c1cc(ccc1/C=C/c2cc(cc(c2)O)O)Br	BVB	5-[(e)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol
+c1cscc1CN	BVC	1-thien-3-ylmethanamine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)CO)O	BVD	5-bromovinyldeoxyuridine
+c1ccc(cc1)c2cc([n+](c(c2)c3ccccc3)CCc4ccc(cc4)S(=O)(=O)N)c5ccccc5	BVE	4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide
+Cc1ccnc(c1)N	BVF	4-methylpyridin-2-amine
+c1cnc([nH]1)CO	BVG	1h-imidazol-2-ylmethanol
+C=C[C@H]1CC[C@H]([C@@H](C1)O)O	BVH	(1r,2r,4s)-4-ethenylcyclohexane-1,2-diol
+Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5CC5	BVI	8-cyclopropyl-n-[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]quinazolin-2-amine
+COC(=O)Nc1ccc(cc1)NC(=O)[C@@H]2c3ccccc3CCN2C(=O)/C=C/c4c(ccc(c4F)Cl)n5cnnn5	BVJ	methyl ~{n}-[4-[[(1~{s})-2-[(~{e})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate
+c1cc(ccc1CC(=O)O)CN	BVK	2-[4-(aminomethyl)phenyl]ethanoic acid
+CC(=CCc1cc(c(cc1OC)O)C(=O)\C=C\c2ccc(cc2)O)C	BVL	(2e)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
+CCOC(=O)[C@H]1CCCN(C1)C(=O)c2cccc3c2CCN([C@@H]3C(=O)Nc4ccc(cc4)C(=O)O)C(=O)/C=C/c5cc(ccc5n6cnnn6)Cl	BVM	4-[[(1~{s})-2-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{s})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]benzoic acid
+CCN(CC)CCOC(=O)c1ccc(cc1)NCCC(=O)c2ccc(cc2)[N+](=O)[O-]	BVN	2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate
+c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cccc(c5)CO)F)C2=O	BVO	3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)COP(=O)(O)O)O	BVP	(e)-5-(2-bromovinyl)-2'-deoxyuridine-5'-monophosphate
+CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N	BVQ	norpseudo-b12
+B(=O)(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O	BVR	[4-[[(2~{r},3~{s})-3-[[(3~{a}~{s},4~{r},6~{a}~{r})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron
+Cc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O	BVS	(2z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid
+CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)NCCC(=O)O)NC(=O)OCc8ccccc8	BVT	3-[[(2~{s},3~{a}~{r},5~{r},6~{r},6~{a}~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid
+c1ccc(c(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F)F	BVU	3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione
+c1cc(ccc1COc2ccc3c(n2)[nH]c(n3)c4ccc(cc4)C(=[NH2+])N)C(=[NH2+])N	BVV	amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3h-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium
+CCC\1=C(C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C	BVX	3-[2-[(~{z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+c1cc(cc(c1)F)Cn2cc(nn2)CCCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4	BVY	(3as,4s,6ar)-4-(5-{1-[(3-fluorophenyl)methyl]-1h-1,2,3-triazol-4-yl}pentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one
+[B-](c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)(O)O	BVZ	[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide
+CN1/C(=N/OCc2ccc(cc2)C(=O)OC)/C=CN(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O	BW0	[[(2~{r},3~{s},4~{r},5~{r})-5-[(4~{e})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cc(co4)CC5CC5)N	BW1	~{n}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)Nc2ccc3c(c2)C(=O)NC(=N3)N	BW2	n-(4-{[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)amino]sulfonyl}benzoyl)glutamic acid
+CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	BW3	(2~{s},3~{r},4~{s},5~{s},6~{r})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
+Cc1c(nc(nc1N2CC3(C2)CCN(CC3)C(=O)OC)c4cc(ccc4Cl)OC[C@@H](CNC)O)c5c(noc5C)C	BW4	methyl 2-[2-{2-chloro-5-[(2r)-2-hydroxy-3-(methylamino)propoxy]phenyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
+C1C2CC3CC1CC(C2)(C3)C[C@@H](C(=O)O)N	BW5	(2~{s})-3-(1-adamantyl)-2-azanyl-propanoic acid
+C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)c4ccc[nH]4)C	BW6	(3~{r})-4-cyclopropyl-1,3-dimethyl-6-(1~{h}-pyrrol-2-yl)-3~{h}-quinoxalin-2-one
+CC(C)n1c2c(cn1)c(cc(n2)c3cccc(c3)OC[C@@H](CN)O)N4CCOCC4	BW7	(2r)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol
+CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)F)SCC(=O)O	BW8	2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Cr]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C	BW9	chromium protoporphyrin ix
+c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)NCc4cccnc4	BWA	n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-n'-[(pyridin-3-yl)methyl]urea
+C1[C@H](C(C([C@H](O1)OC[C@@H](C(=O)O)N)O)O)O	BWB	(2~{s})-2-azanyl-3-[(2~{s},5~{r})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid
+Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)/C=C\3/c4cc(ccc4NC3=O)F	BWC	5-[(z)-(5-fluoranyl-2-oxidanylidene-1h-indol-3-ylidene)methyl]-2,4-dimethyl-n-(2-pyrrolidin-1-ylethyl)-1h-pyrrole-3-carboxamide
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br	BWD	2-amino-3-(5-bromo-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
+CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2cc(cs2)c3cc(cc(c3OC)F)C#N)NC(=O)C	BWE	(2~{r})-2-acetamido-~{n}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+C1C[C@H](N(C1)C(=O)O)/C(=C/C(=O)O)/O	BWF	(2s)-2-[(z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
+CC(=O)c1cnc(s1)N[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	BWG	n-{5-[(1r)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-d-mannopyranosylamine
+C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@@H](CC#N)C(=O)Nc3ccc(cc3)C(=O)Nc4ccc(c(c4OC)O)C(=O)Nc5ccc(c(c5OC)O)C(=O)O	BWH	albicidin
+Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5(CC5)C#N	BWI	1-(2-{[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile
+c1c(cc(cc1Cl)Cl)NC(P(=O)(O)O)P(=O)(O)O	BWJ	{[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)
+Cn1c([nH+]nn1)CC(=O)N[NH3+]	BWK	[2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium
+CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)/C=C(/[C@@H]3CCCN3C(=O)O)\O	BWL	(2s)-2-[(z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
+Cc1nnc(n1c2ccccc2CNC(=O)C)C	BWM	n-{[2-(3,5-dimethyl-4h-1,2,4-triazol-4-yl)phenyl]methyl}acetamide
+CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(F)F)C(F)(F)F)C(=O)/C=C(\[C@@H]3CCCN3C(=O)O)/O	BWO	(2s)-2-[(e)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
+CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O	BWP	(2s)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol
+CC(C)C[C@H]1c2c(c3ccc(cc3[nH]2)OC4CCCC4)C[C@@H]5N1C(=O)[C@@H](NC5=O)CCC(=O)OC(C)(C)C	BWQ	~{tert}-butyl 3-[(2~{s},5~{s},8~{s})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
+c1cc(ccc1CNC(=O)c2csc3c2C(=O)NC=N3)CN4CCC(CC4)N	BWR	~{n}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{h}-thieno[2,3-d]pyrimidine-5-carboxamide
+C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	BWS	l-gamma-glutamyl-l-alanylglycine
+c1cc(ccc1c2n[nH]nn2)C(=O)N[NH3+]	BWT	[[4-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
+c1ccc(cc1)C2=C(C3=[N]4C(=C5C=CC6=C(C(=C7C=CC8=[N]7[Co]4(N56)n9c8ccc92)c1ccccc1)c1ccccc1)C=C3)c1ccccc1	BWU	tetraphenylporphycene contating cobalt
+[H]/N=C(/NCCCC)\NCCC[C@@H](C(=O)O)N	BWV	n~5~-(n-butylcarbamimidoyl)-l-ornithine
+c1cc(cc(c1)S(=O)(=O)Nc2ccc(c(c2)O)C(=O)O)c3cc(ccc3O)F	BWW	4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid
+C[C@@H](c1ccc(cc1)CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O	BWX	(2s)-2-[[(2s)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid
+CC(C)n1c(ncn1)c2cn3c(n2)-c4cc(ccc4OCC3)S(=O)C5CCN(CC5)C(C)(C)C	BWY	10-[(s)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
+c1cc(cc(c1)C(=O)N[NH3+])c2n[nH]nn2	BWZ	[[3-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
+COc1cc(cc(c1OC)OC)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N	BX1	1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid
+CCc1cc(cc(n1)CC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4	BX2	(5s)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4h-imidazol-4-one
+CC(=N)N1CCC(CC1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)O	BX3	(+)-2-[4-[(-1-acetimidoyl-4-piperidinyl)oxy]-3-(7-amidino-2-naphthyl)propionic acid
+c1cc(cc(c1)N)c2ccc(cc2)S(=O)(=O)N	BX4	3'-aminobiphenyl-4-sulfonamide
+C(Cc1n[nH]nn1)CC(=O)N[NH3+]	BX5	[4-(2~{h}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium
+B([C@H](Cc1ccccc1)NC(=O)[C@H](C)CS)(O)O	BX6	[(1r)-1-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]-2-phenyl-ethyl]boronic acid
+c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCNC(=O)c4cccs4)I	BX7	n-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide
+B([C@H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O	BX9	[(r)-(4-fluorophenyl)-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
+C(C(=O)O)Br	BXA	bromoacetic acid
+c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl	BXB	n-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
+C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O	BXC	(3r,7r,11r)-3,7,11,15-tetramethylhexadecyl alpha-d-ribopyranoside
+CCOC[C@H](C(F)(F)F)Oc1cc(cc(c1N)F)C[C@@H]2CS(=O)(=O)C[C@@H]([C@H]2O)NCc3cccc(c3)C(C)(C)C	BXD	(3s,4s,5r)-3-(4-amino-3-{[(2r)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+C(CC(=O)N[NH3+])c1n[nH]nn1	BXE	[3-(2~{h}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O	BXF	2-deoxy-2-fluoro-beta-d-xylopyranose
+COc1ccc2c(c1)c(ccn2)NC(=O)c3cc(ccc3Cl)[N+](=O)[O-]	BXG	2-chloro-n-(6-methoxyquinolin-4-yl)-5-nitrobenzamide
+CCOC(=O)Cc1n[nH]nn1	BXH	ethyl 2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoate
+CC(C)(Cn1c(c(cn1)Nc2ncc3cc(c(cc3n2)C4CCN(CC4)C5COC5)Cl)Cl)O	BXI	1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1h-pyrazol-1-yl]-2-methylpropan-2-ol
+Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4C=NC(=O)C(=N4)Nc5ccc(c(c5)N)C(=O)N6CCOCC6	BXJ	n-{3-[(2r)-6-{[3-amino-4-(morpholine-4-carbonyl)phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide
+CC(C)C[C@H](C(=O)O)NC(=O)O[C@@H](CCC(=O)O)C(=O)O	BXK	(2~{s})-2-[[(2~{r})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid
+c1ccc(cc1)NC(=O)C/C=C/CCCC(=O)Nc2ccccc2N	BXL	(3e)-n~8~-(2-aminophenyl)-n~1~-phenyloct-3-enediamide
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C	BXM	4-tert-butyl-n-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
+Cc1c(c(n(n1)C)C)N(C)S(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN4CCC[C@@H]4C3)Cl	BXN	4-[3-[(8~{a}~{r})-3,4,6,7,8,8~{a}-hexahydro-1~{h}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{n}-methyl-~{n}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
+CCC\C=N/O	BXO	(1z)-butanal oxime
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O	BXP	4-o-beta-d-xylopyranosyl-beta-d-xylopyranose
+CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)C[C@@H](C(F)(F)F)O	BXQ	(3s,4s,5r)-3-{4-amino-3-fluoro-5-[(2s)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+c1cc(c(cc1Cl)CCN)n2cnnn2	BXR	2-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]ethanamine
+c1cc2c(cc1C(=O)/C=C(/C(=O)O)\O)OCCO2	BXS	(2z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid
+CCN(C)C(=O)OC[C@@H](C(=O)O)N	BXT	(2~{s})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid
+B([C@@H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O	BXU	[(s)-(4-fluorophenyl)-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
+c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F	BXV	4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid
+c1cc2c(cc1C(=O)O)SCC(=O)N2	BXW	3-oxo-3,4-dihydro-2h-1,4-benzothiazine-7-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)O	BXX	beta-d-arabinofuranose
+C([C@@H]1[C@H]([C@@H]([C@H](O1)O)O)O)O	BXY	alpha-d-arabinofuranose
+c1cc2c(cc1O)onc2c3cc(c(cc3O)O)Br	BXZ	4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
+B([C@@H](Cc1coc2c1cccc2)NC(=O)[C@H](C)CS)(O)O	BY0	[(1s)-2-(1-benzofuran-3-yl)-1-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethyl]boronic acid
+Cc1ccc(cc1)S(=O)(=O)/C=C/C#N	BY1	3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
+CCN(C)C(=O)Oc1ccc(c(c1)[C@@H](C)N(C)C)O	BY2	[3-[(1~{r})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{n}-ethyl-~{n}-methyl-carbamate
+Cc1cccc2c1[C@H](C(=O)N2)N	BY4	(3r)-3-azanyl-4-methyl-1,3-dihydroindol-2-one
+c1cc(c(c(c1F)/C=C(/C(=O)O)\S)F)F	BY5	(~{z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid
+Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCCNCCCN)O	BY6	[(2s,3r,4r,5s,6s)-2-[(3r,4r,5r,6r)-2-[(1r,2s)-2-[[6-amino-2-[(1s)-3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2s,3r,4r)-5-[[(2r,3s)-1-[2-[4-[4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(3h-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)C(F)(F)F)CCCN(C)C	BY7	6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine
+Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O	BY8	(3~{r})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+c1ccc2c(c1)c3c4c(c5c6ccccc6n(c5c3[nH]2)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)NC4=O	BY9	12-beta-d-glucopyranosyl-12,13-dihydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h)-dione
+c1ccc(cc1)C(=O)NCCC(=O)O	BYA	n-(phenylcarbonyl)-beta-alanine
+c1c(cnc2c1c(n[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F	BYB	(2~{s},3~{s})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O	BYC	benzoyl coenzyme a
+c1cc(ccc1C(=O)NO)C(=O)NO	BYD	n,n'-dihydroxybenzene-1,4-dicarboxamide
+C[C@@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F	BYE	1-(2-chlorophenyl)-6-[(2s)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+C1C=C(c2c(non2)[C@]1(SCCCCCCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	BYG	l-gamma-glutamyl-s-{(4r)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-l-cysteinylglycine
+CN1c2ccccc2N(C1=S)CCSc3[nH]c4ccccc4n3	BYH	1-[2-(1h-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2h-benzimidazole-2-thione
+Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC	BYJ	4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine
+C[NH+](C)C1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4	BYK	[(3~{r})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
+Cc1c(cnn1[C@@H]2CC2(F)F)Nc3ncc4cc(c(cc4n3)C5CCN(CC5)[C@@]6(COC[C@@H]6O)C)Cl	BYL	(3r,4r)-4-{4-[6-chloro-2-({1-[(1r)-2,2-difluorocyclopropyl]-5-methyl-1h-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol
+c1cc2c(cc1\C=C/3\C(=O)NC(=O)S3)OC(O2)(F)F	BYM	(5e)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylene]-1,3-thiazolidine-2,4-dione
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)O)(C)C	BYN	hydroxylated prenyl-fmn
+C[C@@H]1CCC[C@@H]2[C@H]1[C@@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4	BYO	(3~{s},4'~{r},4'~{a}~{s},6'~{r},8'~{a}~{s})-4',6'-dimethyl-5-phenyl-spiro[1~{h}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{h}-naphthalene]-2,4-dione
+CN(C)C[C@H](COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O	BYP	(2r)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol
+c1cc(c(cc1C[C@@H](C(=O)O)N)Br)O	BYR	3-bromo-l-tyrosine
+c1ccc(cc1)C[C@@H]([C@H](Cc2ccc3c(c2)OCO3)C(=O)O)C(=O)O	BYS	2-benzo[1,3]dioxol-5-ylmethyl-3-benzyl-succinic acid
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2	BYT	biocytin
+Cc1cccc(c1Nc2cc(ncn2)c3cccnc3Nc4c(c(cc(c4Cl)OC)OC)Cl)NC(=O)C=C	BYU	n-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC	BYV	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile
+c1cc(ccc1CC(=O)NO)CC(=O)NO	BYX	2,2'-(1,4-phenylene)bis(n-hydroxyacetamide)
+C1[C@H]2[C@@H]([C@@H]([Se]1)CCCCC(=O)O)NC(=O)N2	BYY	5-[(3as,4s,6ar)-2-oxohexahydro-1h-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid
+c1c(cn[nH]1)Br	BYZ	4-bromo-1h-pyrazole
+c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N	BZ0	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide
+CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC	BZ1	(+)-4-ethylamino-3,4-dihydro-2-(methoxy)propyl-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+c1ccc2c(c1)cc(o2)C(=O)O	BZ2	1-benzofuran-2-carboxylic acid
+COc1ccc2c(c1)cc[nH]2	BZ3	5-methoxy-1h-indole
+c1cc2c(cc1CN(Cc3nc(co3)C(=O)N)C(=O)c4coc(n4)CN(Cc5ccc6c(c5)OCO6)C(=O)c7coc(n7)CCl)OCO2	BZ4	n-[(2h-1,3-benzodioxol-5-yl)methyl]-2-({[(2h-1,3-benzodioxol-5-yl)methyl][2-(chloromethyl)-1,3-oxazole-4-carbonyl]amino}methyl)-n-[(4-carbamoyl-1,3-oxazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
+c1cc2c(ccs2)cc1C[C@H]3C(=O)[C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O	BZ5	(1r,2r,4s,5r)-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
+COc1ccc(cc1)c2c(cn(n2)c3ccccc3)Cn4ccnc4	BZ6	4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole
+CC(C)(C)NC(=O)C[C@@H](C(=O)NCCNC(=O)c1cccc(c1)c2ccccc2)NC(=O)CCc3ccccc3	BZ7	n~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-n~4~-tert-butyl-n~2~-(3-phenylpropanoyl)-l-aspartamide
+CCOc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl	BZ8	4-chloro-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl benzene-1,3-diol
+Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[nH]c6ccccc6n5	BZ9	n-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1h-benzimidazol-2-amine
+c1ccc2cc3c(ccc4c3C[C@@H]([C@@H]([C@H]4O)O)O)cc2c1	BZA	1r,2s,3r,4s-tetrahydro-benzo[a]anthracene-2,3,4-triol
+B(c1cc2ccccc2s1)(O)O	BZB	benzo[b]thiophene-2-boronic acid
+COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N	BZC	2-(3'-methoxyphenyl) benzimidazole-4-carboxamide
+c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	BZD	n-[(phenylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+c1ccc(cc1)c2nc(nc(n2)N)N	BZE	6-phenyl-1,3,5-triazine-2,4-diamine
+c1ccc2c(c1)cco2	BZF	benzofuran
+c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	BZG	6-(benzyloxy)-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purin-2-amine
+c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N	BZH	5-[(2-amino-1h-benzimidazol-6-yl)amino]-5-oxopentanoic acid
+c1ccc2c(c1)[nH]cn2	BZI	benzimidazole
+c1ccc2cc(c(cc2c1)C(=O)O)O	BZJ	3-hydroxynaphthalene-2-carboxylic acid
+CCC(=O)C[C@H](C[C@@H](C)C[C@@H](C(=O)O)N)O	BZK	(2s, 4s, 6s)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid
+c1ccc(cc1)COC(=O)c2ccccc2	BZM	benzoic acid phenylmethylester
+CC(C)CN(C[C@H]1CNC[C@@H]1COCc2ccccc2)S(=O)(=O)c3ccccc3	BZN	n-({(3r,4r)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-n-(2-methylpropyl)benzenesulfonamide
+c1ccc(cc1)COC=O	BZO	carbobenzoxy group
+C1CN(CCN1)C(=O)O	BZP	n1-carboxypiperazine
+c1ccc(cc1)C(=O)c2ccccc2	BZQ	diphenylmethanone
+c1ccc2cc3c(ccc4c3C[C@H]([C@H]([C@@H]4O)O)O)cc2c1	BZR	1s,2r,3s,4r-tetrahydro-benzo[a]anthracene-2,3,4-triol
+c1ccc(cc1)C[C@H](CC(=O)O)C(=O)O	BZS	l-benzylsuccinic acid
+c1cc(ccc1c2c(c3ccc(cc3s2)O)Cc4ccc(c(c4)Br)CN5CCCC5)OCCN6CCCC6	BZT	3-(3-bromo-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-6-ol
+CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOCC	BZU	(4r)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
+CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N	BZW	4-[(3~{s})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
+c1cc2c(cc1O)OCO2	BZX	1,3-benzodioxol-5-ol
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CCc2ccc(cc2)O)N)/N	BZY	(2r)-2-amino-n-{(2s)-1-[(4-carbamimidoylbenzyl)amino]-1-oxopropan-2-yl}-4-(4-hydroxyphenyl)butanamide
+c1ccc(cc1)CNN	BZZ	benzylhydrazine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	C	cytidine-5'-monophosphate
+Cc1cccc2c1C(=O)N(C2=O)c3cc(ccc3O)c4ccccc4	C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl-1h-isoindole-1,3(2h)-dione
+CCCc1cc2c(c(c1O[C@@H](c3ccc(cc3)C(C)C)C(=O)[O-])CCC)ON(C2=O)C	C01	(2s)-(4-isopropylphenyl)[(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-1,2-benzisoxazol-6-yl)oxy]acetate
+Cn1c2ccc(cc2nc1Cc3ccc(cc3)C(=N)N)NS(=O)(=O)c4ccccc4	C02	4-(5-benzenesulfonylamino-1-methyl-1h-benzoimidazol-2-ylmethyl)-benzamidine
+Cc1c(c2ccc(cc2n1Cc3cc(ccc3Cl)O[C@H](C)C(=O)O)OC(F)(F)F)c4c5ccc(cc5on4)OC	C03	(2r)-2-(4-chloro-3-{[3-(6-methoxy-1,2-benzisoxazol-3-yl)-2-methyl-6-(trifluoromethoxy)-1h-indol-1-yl]methyl}phenoxy)propanoic acid
+C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/c3csc(n3)N)SC1)C(=O)O	C04	(6r,7r)-7-({(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+C[C@H](C(=O)NCc1ccco1)Sc2nnnn2C3CCCC3	C05	(2~{r})-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-~{n}-(furan-2-ylmethyl)propanamide
+C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)OP(=O)(O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O	C06	[[(2s,3r,4s,5r)-5-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4s,5r,6r)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+Cc1ccc(cc1N2c3c(c(ncn3)N)C4=C(C2=O)CCCC4)O	C07	1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5h)-one
+[B-]1(n2c(ccc2CCCCCCCC)C=C3[N+]1=C(C=C3)CCCCC(=O)O)(F)F	C08	difluoro(5-{2-[(5-octyl-1h-pyrrol-2-yl-kappan)methylidene]-2h-pyrrol-5-yl-kappan}pentanoato)boron
+CCOCc1[nH]c2c3ccccc3nc(c2n1)N	C09	2-(ethoxymethyl)-1h-imidazo[4,5-c]quinolin-4-amine
+CNC(=O)[C@H](Cc1ccc(c(c1)Br)C(F)(F)P(=O)(O)O)NS(=O)(=O)C	C0A	3-bromo-4-[difluoro(phosphono)methyl]-n-methyl-nalpha-(methylsulfonyl)-l-phenylalaninamide
+CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)C)O	C0D	(2r)-2-hydroxy-3,3-dimethyl-n-[3-oxo-3-(pentylamino)propyl]butanamide
+c1cc(ccc1C(=O)C=CC(=C(C(=O)O)O)F)F	C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
+c1cnc(cc1C[C@@H](C(=O)N)N)C2=N[C@@H](CS2)C(=O)O	C0F	(4~{r})-2-[4-[(2~{s})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+CC(C)(C)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O	C0G	(2r)-n-(3-{[(2h-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide
+c1ccc(c(c1)Nc2ncnc(n2)N)Cl	C0H	~{n}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
+c1ccnc(c1)CCNc2cccc(c2C#N)F	C0J	2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile
+CN(C(=O)CC[C@@H](c1ccc(c(c1)F)F)P(=O)(O)O)O	C0K	{(1s)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid
+C/C=C/C/C=C(\C)/[C@@H](CC/C(=C/C=C(\C)/C(=C1C(=O)C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C)O	C0L	methyl [(1e,5r)-5-{(3e)-3-[(2e,4e,8r,9e,12e)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d ihydro-2h-pyran-6-yl}hex-1-en-1-yl]carbamate
+c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)CN(CC4)C(=O)CCN5CCCCC5)C#N	C0M	n-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}1-naphthalenecarboxamide
+C(/C=C\[C@H](C(=O)O)N)[C@@H](C(=O)O)N	C0O	(~{z},2~{r},6~{s})-2,6-bis(azanyl)hept-3-enedioic acid
+c1c(c(cc(c1OCCN2CCOCC2)Cl)Cl)c3cc(nc(n3)N)Cl	C0P	4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
+CN1c2c(cc3cc2OCCOC[C@H]4CNCCN4c5ncc(c(n5)N3)Cl)CCC1=O	C0Q	anilinopyrimidine ligand
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O	C0R	corticosterone
+c1ccc(cc1)c2nc(on2)C3CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F	C0S	1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C#C/C=C\C#C[C@@]\3(CC(=O)C(=C2/C3=C\CSSSC)NC(=O)OC)O)O)O)NO	C0T	calicheamicin t0
+c1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O	C0V	(2z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid
+c1ccc2c(c1)c(cs2)/C=C(/C(=O)O)\S	C0W	(~{z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid
+CC(=CCC/C(=C/CC/C(=C/CO[C@@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C	C0X	(2s)-3-dimethoxyphosphoryloxy-2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid
+CC(C)(C)c1cc(ccc1O)C(=O)N2CCOCC2	C0Y	(3-tert-butyl-4-hydroxyphenyl)morpholin-4-yl-methanone
+CN(C)[C@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl	C0Z	6-chloro-n-[(3s)-1-[(1s)-1-dimethylamino-2,3-dihydro-1h-inden-5-yl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide
+CCCCCCCCCCOCCOCCOCCOCCOCCOCCO	C10	hexaethylene glycol monodecyl ether
+CCCCCCCCCCC[P@H](=O)OCCCC	C11	undecyl-phosphinic acid butyl ester
+C[C@H]([C@@H](c1nc(c(n1CC=O)[O-])Cc2ccc(cc2)O)N)O	C12	2-(1-amino-2-hydroxypropyl)-4-(4-hydroxybenzyl)-1-(2-oxoethyl)-1h-imidazol-5-olate
+c1ccc(cc1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl	C13	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea
+CCCCCCCCCCCCCC	C14	tetradecane
+CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O	C15	n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate
+Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C#N	C16	4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzonitrile
+c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O	C17	7-[(3-chlorobenzyl)oxy]-2-oxo-2h-chromene-4-carbaldehyde
+CNCC1=CC(=O)Oc2c1ccc(c2)OCc3cccc(c3)Cl	C18	7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2h-chromen-2-one
+CC1=C(C(=O)N(C=C1)c2ccc3c(c2)NCC3(C)C)c4ccc5c(c4)cnc(n5)N	C19	3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1h)-one
+[H]/N=C(/N/C(=N\[H])/SCc1c(cc(c(c1)C)CS/C(=N/[H])/N/C(=N/[H])/N)C)\N	C1A	(2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(n-carbamimidoylcarbamimidothioate)
+[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3cc(cc(c3O)c4cc(ccc4O)CNC(=O)N)[C@@H](CC(=O)O)C(=O)O)\N	C1B	(2r)-2-[5-(5-carbamimidoyl-1h-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-ureidomethyl-biphenyl-3-yl]-succinic acid
+c1ccc2c(c1)ccc(c2c3c4ccccc4ccc3C(=O)O)C(=O)O	C1C	1,1'-binaphthalene-2,2'-dicarboxylic acid
+CC1C(CCC(N1)N)CNCCN2C(C(=NC=C2Cl)NCC(c3ccccn3)(F)F)O	C1D	1-(2-{[(6-amino-2-methylpyridin-3-yl)methyl]amino}ethyl)-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol
+c1ccc(cc1)C(=O)\C=C\C(=C(/C(=O)O)\O)\Cl	C1E	(2z,4e)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
+CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C	C1F	3-carboxy-4-methyl-5-propyl-2-furanpropionic
+C[C@H](c1ccsc1)NC(=O)C2(CCC2)C(=O)N[C@@H](CCCNC(=O)N)CN	C1G	n~1~-[(2s)-1-amino-5-(carbamoylamino)pentan-2-yl]-n'~1~-[(1r)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide
+c1cc(cc(c1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N)C(=O)OCCCCO[N+](=O)[O-]	C1H	4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate
+C[C@]12CC=C3C=C4[C@H]([C@@H]([C@H](C[C@]45CC[C@@]3([C@@H]1CC[C@@H]2c6ccc7ccncc7c6)O5)N(C)C)O)O	C1I	cortistatin a
+[H]/N=C(/NCCCCCCCC)\NCCC[C@@H](C(=O)O)N	C1J	n~5~-(n-octylcarbamimidoyl)-l-ornithine
+C1CCC(CC1)N[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	C1K	(1r,2s,3s,4r,5r)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol
+Cc1cc(cc2c1nc3c(c2CN4CCOCC4)c(n[nH]3)C)OC	C1L	6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1h-pyrazolo[3,4-b]quinoline
+c1cc(ccc1n2cnnn2)Cl	C1M	1-(4-chlorophenyl)-1h-tetrazole
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)CF)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	C1N	n-[(benzyloxy)carbonyl]leucyl-n~1~-[3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]leucinamide
+O=[Cu]	C1O	cu-o linkage
+CC(C)CC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCOCC3	C1P	n~2~-(morpholin-4-ylcarbonyl)-n-[(3s)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-l-leucinamide
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCc2ccccc2)O)O	C1Q	n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide
+C1CNCCC1CCCC=O	C1R	4-piperidinebutyrate
+C=CCSSC[C@@H](C(=O)O)N	C1S	3-(prop-2-en-1-yldisulfanyl)-l-alanine
+CC1=C(C(=O)[C@H]([C@@H](C1=O)O)SC[C@@H](C(=O)O)N)O	C1T	s-[(1s,6r)-3,6-dihydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-l-cysteine
+C[C@@H](CCC[C@H](CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O)O	C1U	2-[(~{e},6~{s},10~{s})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid
+c1ccc(c(c1)c2ccc(cc2)c3csc4c3C(=C(C(=O)N4)C#N)O)O	C1V	3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7h-thieno[2,3-b]pyridine-5-carbonitrile
+c1cc(ccc1Nc2c(cnc(n2)Nc3ccc(c(c3)Cl)C(=O)O)Cl)F	C1W	2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid
+C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/CS1)CC(=O)O)CCC(=O)O	C1X	(z)-n~6~-[(4r,5s)-5-(2-carboxyethyl)-4-(carboxymethyl)dihydro-2h-thiopyran-3(4h)-ylidene]-l-lysine
+CCC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	C1Y	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N	C1Z	guanosine 3'-diphosphate 5'-triphosphate
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)C)O)NC(=O)C	C20	acetyl-nh-val-cyclohexyl-ch2[nch2choh]ch2-benzyl-val-nh-acetyl
+c1cc(sc1)C(=O)O	C21	thiophene-2-carboxylic acid
+C([C@@H](C(=O)O)N)Cl	C22	3-chloro-l-alanine
+Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4	C23	1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one
+CCOC(=O)CCN(c1ccccn1)C(=O)c2ccc3c(c2)nc(n3C)CNc4ccc(cc4)C(=N)N	C24	3-({2-[(4-carbamimidoyl-phenylamino)-methyl]-3-methyl-3h-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid ethyl ester
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	C25	cytidine-5'-monophosphate
+CCCC[C@@H](CC)COS(=O)(=O)O	C26	(2r)-2-ethyl-1-hexanesulfonic acid
+C[C@]1(CC(=O)N(C(=N1)N)C)CCc2cccc(c2)c3cccc(c3)OC	C27	(6r)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one
+c1cc(ccc1[C@@H](C(F)(F)F)N[C@@H](CS(=O)(=O)N2CCOCC2)C(=O)NC3(CC3)CN)F	C28	n-[1-(aminomethyl)cyclopropyl]-3-(morpholin-4-ylsulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-l-alaninamide
+CN1CCOc2c1ccc(c2)C(=O)O	C29	4-methyl-3,4-dihydro-2h-1,4-benzoxazine-7-carboxylic acid
+c1cc(cc(c1)Cl)CN	C2A	1-(3-chlorophenyl)methanamine
+c1cc(ccc1CN)Cl	C2B	1-(4-chlorophenyl)methanamine
+Cl([Cu])[Cu]	C2C	cu-cl-cu linkage
+c1cc2c(cc1Cl)c(cs2)CNCCN3C(CN=C(C3O)NCCC4CCCCN4)Cl	C2D	6-chloro-1-(2-{[(5-chloro-1-benzothien-3-yl)methyl]amino}ethyl)-3-[(2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N	C2E	9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6h-purin-6-one)
+C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C2F	5-methyl-5,6,7,8-tetrahydrofolic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](CO)O)O)O	C2G	[cytidine-5'-phosphate] glycerylphosphoric acid ester
+C#C	C2H	acetylene
+c1nc2c(n1[C@H]3[C@H]([C@@H]4[C@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@H]5O)n6cnc7c6NC=NC7=O)O)O)NC=NC2=O	C2I	9-[(1r,6r,8r,9s,10r,15s,17r,18s)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3h-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3h-purin-6-one
+c1cc(ccc1c2ccc3c(c2)n[nH]c3NC(=O)C4CC4)O	C2J	n-[6-(4-hydroxyphenyl)-2h-indazol-3-yl]cyclopropanecarboxamide
+c1cc2c(cc1C[C@H](NC(=O)c3ccc(cc3OCCCCO2)C(F)(F)F)C(=O)NC4(CC4)CN)Cl	C2K	(3~{s})-~{n}-[1-(aminomethyl)cyclopropyl]-19-chloranyl-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide
+CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OCCOC)O	C2L	5-methyl-3'-o-methoxyethyl cytidine 5'-monophosphate
+Cc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl	C2M	5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
+C([C@H](C(=O)O)N)Cl	C2N	3-chloro-d-alanine
+O([Cu])[Cu]	C2O	cu-o-cu linkage
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O	C2P	cytidine-2'-monophosphate
+Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3[NH+](C)C)C(=O)O	C2Q	[(3~{r})-3-carboxy-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O	C2R	5-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)S)O	C2S	cytidine-5'-dithiophosphorate
+CC[N+](C)(C)NCCC(=O)O	C2T	3-(1-ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid
+c1c(cc(c(c1C(=O)O)O)Cl)Cl	C2U	3,5-dichloro-2-hydroxybenzoic acid
+CN(C)CCNC(=O)c1cccc(c1)c2cnc3n2nc(cc3)c4cccs4	C2V	n-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
+COc1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OCCCCO2)C(=O)NC4(CC4)C#N	C2W	(3~{s})-19-chloranyl-~{n}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide
+CO[C@@H]1[C@H]2[C@@H](CO[P@@](=O)(OCCCCCCONO[P@](=O)(O[C@@H]3[C@@H](CO[P@@](=O)(O[C@@H]4[C@@H](CO[P@@](=O)(O[C@H]5CN(C[C@@H]5CO[P@@](=O)(O2)O)Cc6c[nH]c7c6ncnc7N)O)O[C@H]([C@@H]4OC)n8cnc9c8NC(=NC9=O)N)O)O[C@H]([C@@H]3OC)n2cnc3c2ncnc3N)O)O)O[C@H]1n1cnc2c1NC(=NC2=O)N	C2X	9,9'-{(2r,3r,3ar,5s,7ar,9r,10r,10ar,12s,23r,25ar,27r,28r,28ar,30s,32ar,35ar,37s,39ar)-9-(6-amino-9h-purin-9-yl)-34-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2h,7h,25h-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6h-purin-6-one)
+COC(=O)c1c[nH]c2c1cccc2	C2Y	methyl 1h-indole-3-carboxylate
+c1cc(oc1c2cc(on2)O)P(=O)(O)O	C2Z	5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)C	C30	2-(acetylamino)-2-deoxy-1-o-[(s)-{[(r)-{[(2z,6z,10e,14e,18e)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCCN	C31	2'-o-3-aminopropyl cytidine-5'-monophosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O)O	C32	5-bromo-2'-deoxy-cytidine-5'-monophosphate
+CCC[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O	C33	2alpha-propyl-1alpha,25-dihydroxyvitamin d3
+CNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	C34	n4-methyl-2'-deoxy-cytidine-5'-monophosphate
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c2nc(n(n2)c3ccc(cc3)Cl)C	C35	n~2~-{[1-(4-chlorophenyl)-5-methyl-1h-1,2,4-triazol-3-yl]carbonyl}-n~5~-(diaminomethylidene)-l-ornithyl-l-leucyl-l-isoleucyl-4-fluoro-l-phenylalaninamide
+C1[C@@H]([C@H](O[C@H]1N2C[C@@](C(=NC2=O)N)(CO)F)COP(=O)(O)O)O	C36	5-methyl-5-fluoro-2'-deoxy-cytidine-5'-monophosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)COP(=O)(O)O)O	C37	5-fluoro-2'-deoxy-cytidine-5'-monophosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)COP(=O)(O)O)O	C38	5-iodo-2'-deoxy-cytidine-5'-monophosphate
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@H](CNC(=O)c1ccccc1OCCCOC)C(C)C)N)O	C39	n-[(2s,4s,5s,7r)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxooctyl]-2-(3-methoxypropoxy)benzamide
+C=CCOC(=O)N[C@H](CC[C@@H]1CCNC1)C(=O)c2nc(on2)Cc3ccc(cc3)C(=O)NC4Cc5ccccc5C4	C3A	allyl {(1s)-1-[(5-{4-[(2,3-dihydro-1h-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	C3B	4-amino-1-beta-d-glucopyranosylpyrimidin-2(1h)-one
+c1ccc(cc1)[C@H]2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCC5)O	C3D	(5r,6s)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
+c1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OC/C=C/CO2)C(=O)NC4(CC4)C#N	C3E	(3~{s},14~{e})-19-chloranyl-~{n}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCNC(=O)O	C3F	3-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propylcarbamic acid
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O	C3G	4-nitrophenyl beta-d-glucopyranosiduronic acid
+CCC[C@@](C)(CCO)SC[C@@H](C(=O)NCC(=O)O)N	C3H	2-[[(2~{r})-2-azanyl-3-[(3~{s})-3-methyl-1-oxidanyl-hexan-3-yl]sulfanyl-propanoyl]amino]ethanoic acid
+CNC(=O)c1c[nH]c2c1cc(cc2)N3CCCc4c3cc(c(c4)c5cnn(c5)C)C(F)F	C3J	5-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-n-methyl-1h-indole-3-carboxamide
+CCC(=O)NC[C@H]1CC[C@H]2C=C[C@H](N2C(=O)[C@H]1NC(=O)[C@H](C)NC)C(=O)NCc3ccccc3	C3K	(3~{s},6~{s},7~{r},9~{a}~{s})-6-[[(2~{s})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{n}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide
+C[C@@H](CCC[C@@H](CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O)O	C3L	2-[(~{e},6~{r},10~{s})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid
+c1ccc(cc1)C[C@@H]([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)O)N	C3M	n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide
+CCCO[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O	C3O	2alpha-propoxy-1alpha,25-dihydroxyvitamin d3
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O	C3P	cytidine-3'-monophosphate
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CCC34CC5CC(C3)CC(C5)C4	C3Q	n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide
+C[C@@H]\1CCC[C@@H]([C@H](OC(=O)[C@@H]([C@@H](/C=C1)O)O)/C(=C/[C@@H](C)C(=O)[C@H](C)[C@@H](CC(=O)O)OC)/C)C	C3R	carolacton
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C	C3S	cholest-5-en-3-yl hydrogen sulfate
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc3ccc(cc3)C(C)(C)C)CO)NC	C3T	(3~{s},6~{s},7~{s},9~{a}~{s})-~{n}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{s})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide
+Cn1cc(cn1)c2cc3c(cc2C(F)F)N(CCC3)c4ccc5c(c4)N(C(=O)S5)C	C3V	5-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-3-methyl-1,3-benzothiazol-2(3h)-one
+CN(Cc1ccc(cc1)F)C(=O)CC(=O)C(=O)O	C3W	4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid
+C1[C@@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O	C3X	(2r)-oxiran-2-ylmethyl beta-d-xylopyranoside
+C[C@](NO)(O)SC[C@@H](C(=O)O)N	C3Y	s-[(1s)-1-hydroxy-1-(hydroxyamino)ethyl]-l-cysteine
+c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5	C3Z	3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{h}-indazol-6-ol
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@@H](C)CNC(=O)c1ccccc1OCCCOC)N)O	C40	n-[(2r,4s,5s,7r)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl]-2-(3-methoxypropoxy)benzamide
+CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N	C41	aliskiren
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)N	C42	3'-amino-2'-deoxy-cytidine-5'-monophosphate
+COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	C43	2'-o-methyoxyethyl-cytidine-5'-monophosphate
+CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@H]4CCCc5c4cccc5)O	C44	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(1s)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
+CONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	C45	n4-methoxy-2'-deoxy-cytidine-5'-monophosphate
+C1CONC2=NC(=O)N(C=C21)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	C46	6h,8h-3,4-dihydropyrimido[4,5-c][1,2]oxazin-7-0ne(cytidine)-5'-monophosphate
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)(C)CC(=O)N1C[C@@H](Cc2c1cccc2)C(=O)OC)N)O	C47	methyl (3r)-1-[(5s,6s,8r)-5-amino-9-butylamino-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2h-quinoline-3-carboxylate
+CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2	C48	n1-(1-dimethylcarbamoyl-2-phenyl-ethyl)-2-oxo-n4-(2-pyridin-2-yl-ethyl)-succinamide
+[H]/N=C/1\[C@@](C(=S)N(C(=O)N1)C2C[C@@H]([C@H](O2)COP(=O)(O)O)O)(C)F	C49	4-thio,5-fluoro,5-methyl-2'-deoxy-cytidine-5'-monophosphate
+CCOC(=O)N[C@@H](CCCCN)C(=O)c1nc(on1)Cc2ccc(cc2)C(=O)NC3Cc4ccccc4C3	C4A	ethyl {(1s)-5-amino-1-[(5-{4-[(2,3-dihydro-1h-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]pentyl}carbamate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)O)O	C4B	1-beta-d-glucopyranosyl-1,3,5-triazinane-2,4,6-trione
+CN(C)CC[N@@](Cc1ccc(cc1)Cl)c2ccccn2	C4C	n-(4-chlorobenzyl)-n',n'-dimethyl-n-pyridin-2-ylethane-1,2-diamine
+CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(C)C)/C)/C)C	C4D	4,4'-diaponeurosporene
+c1ccc(cc1)Nc2c[nH]c3c2cccn3	C4E	n-phenyl-1h-pyrrolo[2,3-b]pyridin-3-amine
+COc1cccc(c1)Cc2c[nH]c3c2cccn3	C4F	3-(3-methoxybenzyl)-1h-pyrrolo[2,3-b]pyridine
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCCN	C4G	n~5~-[n-(3-aminopropyl)carbamimidoyl]-l-ornithine
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)CCS	C4H	n-[4-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)butyl]-3-sulfanylpropanamide
+CN1C=C(C(=O)N(C1=O)CC[C@@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O	C4J	(5s)-5-{3-[(3s)-3-amino-3-carboxypropyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}-2,5-anhydro-1-o-phosphono-l-arabinitol
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc5c(c4)OCO5	C4K	~{n}-(1,3-benzodioxol-5-yl)-~{n}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{h}-indazole-5-carboxamide
+CCCC(=O)N[C@@H](CCO)C(=O)O	C4L	n-butanoyl-l-homoserine
+Cc1cc(c(c(c1S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)N)O)C)C)OC	C4M	n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccc(cc4)Cl	C4N	~{n}-[(4-chlorophenyl)methyl]-~{n}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{h}-indazole-5-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CSCc2ccccc2)C=O)NC(=O)N3CCOCC3	C4P	n-[(1r)-2-(benzylsulfanyl)-1-formylethyl]-n-(morpholin-4-ylcarbonyl)-l-phenylalaninamide
+c1ccc2c(c1)c(ccn2)CN3CCNCCNCCNCC3	C4Q	4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline
+C1C[C@@H]2C3[C@H]1C4=C2[Rh+]4[S@H]3C[C@@H](C(=O)O)N	C4R	(r)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium
+C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	C4S	2'-deoxy-4'-thiocytidine 5'-(dihydrogen phosphate)
+CN(Cc1ccc(cc1)Cl)C(=O)c2cc3c(cc2O)[nH]nc3Cc4ccccc4	C4T	~{n}-[(4-chlorophenyl)methyl]-~{n}-methyl-6-oxidanyl-3-(phenylmethyl)-1~{h}-indazole-5-carboxamide
+Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)CC(C)C)[C@H]3C[C@H]3C(=O)O	C4V	(1r,2s)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N=[N+]=[N-])CO)O)O	C4W	1-azido-beta-n-acetyl-d-glucosamine
+C1[C@H](O1)CCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O	C4X	3,4-epoxybutyl-beta-d-xyloside
+c1ccc(cc1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N	C4Y	1-(4-aminobenzyl)-3-{2-oxo-2-[(2r)-2-phenylpyrrolidin-1-yl]ethyl}urea
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H](CC4CCCCC4)C(=O)O)O)O)O)O	C4Z	(2~{r})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[(1~{r},2~{r})-2-[(2~{s},3~{s},4~{r},5~{s},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid
+CC1(N=C(N=C(N1OCCCOc2cccc(c2Cl)Cl)N)N)C	C50	1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
+C[C@H](C1CCC(CC1)c2ccnc3c2cccc3)C(=O)Nc4ccc(cc4)C#N	C51	(2r)-n-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide
+CC1=C(C(=O)N(C=C1)c2cccc(c2)C(F)(F)F)c3ccc4c(c3)cnc(n4)N	C52	3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1h)-one
+[H]/N=C\1/NC(=O)/C(=C\c2ccccn2)/S1	C53	2-imino-5-(1-pyridin-2-yl-meth-(e)-ylidene)-1,3-thiazolidin-4-one
+C1C[C@H](C=C1)C(=O)O	C54	(1r)-cyclopent-2-ene-1-carboxylic acid
+CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-]	C56	4-(dimethylamino)-n-{[(2r)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide
+CCN1CCC[C@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-]	C57	4-(dimethylamino)-n-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide
+c1ccc(cc1)C[C@@H](CNc2c3c4c(sc3nc(n2)c5ccncc5)CCCC4)N	C58	(2s)-3-phenyl-n~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine
+C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N	C5A	(1s,3s)-1-aminocyclopentane-1,3-dicarboxylic acid
+C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N	C5B	(1s,3r)-1-aminocyclopentane-1,3-dicarboxylic acid
+C1CCC(C1)SSC[C@@H](C(=O)O)N	C5C	s-cyclopentyl thiocysteine
+CC1([C@@H](CC[C@]1(C)CCC#CC(C(F)(F)F)(C(F)(F)F)O)\C=C\C=C2C[C@H](C[C@@H](C2)O)O)C	C5D	(1r,3r)-5-[(2e)-3-{(1s,3r)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol
+C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2	C5E	(1r,5s)-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
+CC(C)(C(=O)O)Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl	C5F	2-{4-[(1s)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	C5G	[cytidine-5'-phosphate]-beta-glucosyl-phosphoric acid ester
+C1CCC(CC1)C[C@@H](C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3CCCC[C@H]3O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)CO)O	C5H	(2~{s})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{r},2~{r})-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid
+c1c[nH]c2c1c3c(cn2)nnn3[C@@H]4CCCN(C4)C(=O)CC#N	C5I	3-oxo-3-[(3r)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6h)-yl)piperidin-1-yl]propanenitrile
+C(=O)(N)NC(=O)N	C5J	dicarbonimidic diamide
+C[C@H]1CCC[C@H]([C@@H]1O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C(F)(F)F)O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)O)O	C5K	(2~{s})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[(1~{r},2~{r},3~{s})-3-methyl-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid
+CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC	C5L	2'-o-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate)
+Cc1cc(c(c(c1S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)NCc3cccc(c3)Cl)O)C)C)OC	C5M	n-{(2r,3s)-3-[(3-chlorobenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzenesulfonamide
+CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC3)CC	C5N	~{n}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	C5P	cytidine-5'-monophosphate
+c1ccc2c(c1)c(c[nH]2)Cc3ccc4c(c3C(=O)O)OCO4	C5Q	5-(1h-indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid
+CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C	C5R	(2s)-2-[[(1r,4as,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1h-indol-3-yl)propanoic acid
+C([C@H](C(=O)O)NC=O)C(=O)O	C5S	n-formyl-d-aspartic acid
+CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2N(=O)=O)C(=O)OC	C5U	dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
+c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)[C@H]4C[C@@H]4c5cccnc5	C5V	(1s,2s)-n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
+CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)O	C5W	2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{h}-indazol-6-yl]pyridine-3-carboxylic acid
+C1[C@H](O1)CCCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O	C5X	3-[(2r)-oxiran-2-yl]propyl beta-d-xylopyranoside
+CCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	C5Y	5'-o-[(s)-hydroxy(octanoyloxy)phosphoryl]adenosine
+CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)OC	C5Z	methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{h}-indazol-6-yl]pyridine-3-carboxylate
+CCCCNC(=O)C(CC(C(CC1CCCCC1)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc3ccccc3)CS(=O)(=O)C(C)(C)C)O)C(C)C	C60	[[[3-(2-methyl-propane-2-sulfonyl)-1-benzenyl]-2-propyl]-carbonyl-histidyl]-amino-[cyclohexylmethyl]-[2-hydroxy-4-isopropyl]-pentan-5-oic acid butylamide
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@H](Cc1ccc(c(c1)OCCCOC)OC)C(C)C)N)O	C61	(2r,4s,5s,7s)-5-amino-n-butyl-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,8-dimethylnonanamide
+c1cc(ccc1c2ccc(o2)\C=C/3\C(=O)NC(=O)S3)S(=O)(=O)N	C62	4-{5-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide
+CCCCCCOC[C@H](COP(=O)(CCCCC)O)OCCCCCC	C63	(2r)-2,3-bis(hexyloxy)propyl hydrogen (s)-pentylphosphonate
+c1ccc2c(c1)nc(n2CC(=O)Nc3ccc(cc3)Br)c4nccs4	C64	n-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]acetamide
+c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C(=O)NO	C65	(2e)-n-hydroxy-3-{4-[(e)-phenyldiazenyl]phenyl}prop-2-enamide
+C1=CN(C(=O)N=C1N)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O	C66	2-aminoethyllysine-carbonylmethylene-cytosine
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCC(=O)O	C67	n~5~-[n-(2-carboxyethyl)carbamimidoyl]-l-ornithine
+CC(C)C[C@@H](C(=O)O)OC(=O)N[C@@H](CCC(=O)O)C(=O)O	C68	(2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid
+COc1ccc(c(c1)OC)N2[C@@H](SCC2=O)c3cccc(c3)Br	C69	(2s)-2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@H]2C[C@@H](Oc3c2cc(cc3)CC(C)(C)C)C4CC4)O	C6A	n-[(2s,3r)-4-{[(2r,4s)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2h-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
+C1=CN(C(=O)N=C1N)[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)OP(=O)(O)O)O	C6B	[(2s,3s,4r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
+C1CCC(CC1)SSC[C@@H](C(=O)O)N	C6C	s-cyclohexyl thiocysteine
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCCO	C6D	n~5~-[n-(3-hydroxypropyl)carbamimidoyl]-l-ornithine
+CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5	C6F	6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2OCC(=O)O)N	C6G	6-(carboxymethoxy)-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purin-2-amine
+COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)CC4CCCCC4)Cl	C6H	1-(7-chloranyl-4-methoxy-1~{h}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one
+C[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O	C6J	[2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid
+COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)Cc4ccccc4)Cl	C6K	1-(7-chloranyl-4-methoxy-1~{h}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one
+CCCCCC(=O)N[C@@H](CCO)C(=O)O	C6L	n-hexanoyl-l-homoserine
+CCC[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O	C6M	[1-phosphono-2-(1-propylpyridin-2-yl)ethyl]phosphonic acid
+C1CCC(CC1)CCCCC(CCCCC2CCCCC2)(CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O	C6N	6-cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-o-(alpha-d-glucopyranosyl)-beta-d-glucopyranosyl]oxy}methyl)hexyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CCC(=O)N1CCC[C@@H](C1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)C(=C(C2=O)c6cccc(c6Cl)F)C	C6O	6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3s)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O	C6P	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-cysteine
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCc2ccccc2)O)O	C6Q	n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide
+C[C@]1([C@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF	C6R	n-[3-[(4s,5r)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)C3CCCCC3)O	C6S	(3r)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NP(=O)(CP(=O)(O)O)O)O)O	C6T	2'-deoxy-5'-o-[(s)-hydroxy{[(r)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine
+C[C@]1(CCSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)Cl	C6U	n-[3-[(4s)-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carboxamide
+CC(c1cc(ccc1c2c(c3ccc(cc3s2)O)Oc4ccc(cc4)/C=C/C(=O)O)F)(F)F	C6V	lsz102
+C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1	C6W	3-cyclohexyl-1-propylphosphocholine
+CN1C2=Cc3cccnc3N(c4c2c(ccc4)C1=O)Cc5cccc(c5)C(=O)N	C6X	3-((1-methyl-2-oxo-1,2,2a1,5a-tetrahydro-6h-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-6-yl)methyl)benzamide
+c1cc(c(cc1Cl)Cl)Cc2ccc(nn2)S	C6Z	6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol
+c1ccc(c(c1)CCC(=O)NO)NC(=O)c2cccc(c2)C(F)(F)F	C7	n-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide
+c1cc(ccc1c2cc3c(s2)c(nnc3N[C@H]4CCCNC4)C(=O)N)Cl	C70	2-(4-chlorophenyl)-4-[(3s)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide
+C/C(=N\S(=O)(=O)c1ccccc1)/N[C@@H](CC2(CCCC2)C)C(=O)NC3(CCS(=O)(=O)CC3)CN	C71	n-[4-(aminomethyl)-1,1-dioxidotetrahydro-2h-thiopyran-4-yl]-3-(1-methylcyclopentyl)-n~2~-[(1e)-n-(phenylsulfonyl)ethanimidoyl]-l-alaninamide
+c1cc(ccc1c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N)Cl	C72	2-(4-chlorophenyl)-4-[(3s)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide
+c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3)Cl	C73	2-(carbamoylamino)-5-(4-chlorophenyl)-n-[(3s)-piperidin-3-yl]thiophene-3-carboxamide
+[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)S(=O)(=O)NC)/S1	C75	4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-furyl}-n-methylbenzenesulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)(F)F)O)O)O	C76	2,2,2-tris(fluoranyl)-n-[(2r,3r,4r,5s,6r)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
+CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)Cn5cc(nn5)CCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C	C77	5'-deoxy-2',3'-o-(1-methylethylidene)-5'-(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)adenosine
+c1cc(cc(c1)N)COC(=O)N[C@@H](Cc2ccc(cc2)OP(=O)(O)O)C(=O)NC3(CCCCC3)C(=O)N[C@@H]4CCCC[C@@H]4C(=O)N	C78	[1-[1-(6-carbamoyl-cyclohex-2-enylcarbamoyl)-cyclohexylcarbamoyl]-2-(4-phosphonooxy-phenyl)- ethyl]-carbamic acid 3-aminobenzylester
+CCc1c(c(nc(c1C#N)S[C@H](c2ccc(cc2)C(F)(F)F)C(=O)N)N3CCC(CC3)N)C#N	C79	(2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide
+CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)CCl	C7A	n-(4-tert-butylphenyl)-2-chloro-n-[(1r)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide
+c1cc(ccc1OCC(=O)NC2CCC(CC2)NC(=O)COc3ccc(cc3)Cl)Cl	C7B	2-(4-chloranylphenoxy)-~{n}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide
+c1cc(ccc1Sc2c(nns2)C(=O)[O-])Cl	C7C	5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]4[C@H]([C@@H]([C@@H](O4)O[C@H]5[C@H]([C@H](O[C@@H]5n6cnc7c6ncnc7N)COP(=O)(O)OP(=O)(O)O)O)O)O)O)O)N	C7G	[(2~{r},3~{s},4~{s},5~{s})-5-(6-aminopurin-9-yl)-4-[(2~{s},3~{s},4~{s},5~{s})-5-[[[[(2~{r},3~{r},4~{s},5~{s})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
+CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1	C7H	4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine
+CC(C)CN(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)Cl)O)S(=O)(=O)c4ccc(cc4)N	C7J	(3r,3as,4r,6as)-4-chlorohexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+c1cc(c2c(c1NCCCCCCCCCCCC(=O)O)non2)N(=O)=O	C7K	12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=O)(=O)c4ccc(cc4)N	C7L	(3r,3as,4r,6ar)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+COc1ccc(cc1)S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)[NH2+]Cc3cc(ccc3N4C=NNN4)Cl)O	C7M	(2s,3r)-n-[5-chloro-2-(2,3-dihydro-1h-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbuta n-2-aminium
+CN1CCC(=C2c3ccccc3C=Cc4c2ccc(c4)O)CC1	C7N	2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol
+C[C@]1(C2(CCS(=O)(=O)CC2)CSC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF	C7O	n-[3-[(5r)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+C1=CC=[N](C=C1)[Pt+2]([NH3])([NH3])Cl	C7P	cis-diammine(pyridine)chloroplatinum(ii)
+[H]/N=C\C1(CC1)NC(=O)[C@@H]2Cc3ccc(c(c3)Cl)OC/C=C/CCc4ccccc4C(=O)N2	C7Q	(3~{s},14~{e})-19-chloranyl-~{n}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O	C7R	2'-deoxy-5'-o-thiophosphonocytidine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O	C7S	2'-deoxy-5'-o-thiophosphonocytidine
+c1cc2c(cc1C[C@H](NC(=O)c3cc(ccc3OC/C=C/CO2)C4CNC4)C(=O)NC5(CC5)C#N)Cl	C7T	(3~{s},14~{e})-8-(azetidin-3-yl)-19-chloranyl-~{n}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)Cl)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC	C7U	(3r,3as,4r,6as)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+Cc1cnoc1C(=O)Nc2c3ccccc3n(n2)Cc4ccc(cc4)C(F)(F)F	C7V	4-methyl-n-(1-{[4-(trifluoromethyl)phenyl]methyl}-1h-indazol-3-yl)-1,2-oxazole-5-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCC(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC	C7W	(3r,3as,4r,6ar)-4-(3,3,3-trifluoropropoxy)hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+C[C@]1([C@@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF	C7X	n-[3-[(4s,5s)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+C[C@@H](c1ccc2c(n1)cc[nH]2)Nc3nccc(n3)Nc4cc([nH]n4)C5CC5	C7Y	n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-n~2~-[(1s)-1-(1h-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine
+CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](CC2(C)C)O)C)\C)\C)/C)/C	C7Z	(1~{s})-3,5,5-trimethyl-4-[(1~{e},3~{e},5~{e},7~{e},9~{e},11~{e},13~{e},15~{e},17~{e})-3,7,12,16-tetramethyl-18-[(4~{s})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
+CCCCNC(=O)[C@H](C)CC([C@H](C[C@H](C)COC(=O)c1cn(c2c1cccc2)Cc3ccccc3)N)O	C80	(2s,4s,5r,7r)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl 1-benzyl-1h-indole-3-carboxylate
+Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)[C@H](C)F	C81	(4r)-4-[(1s)-1-fluoroethyl]-3-[2-({(1s)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
+c1cc(ccc1Nc2cnn[nH]2)Cl	C82	~{n}-(4-chlorophenyl)-1~{h}-1,2,3-triazol-5-amine
+C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF)F	C83	n-[3-[(4r,5r,6r)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+CC(C)[C@@H]([C@H](C(=O)NP(=O)(O)O[C@@H]1C[C@@H]([C@@H](O1)n2cnc3c2ncnc3NP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O)CO)O)O)O)O)O	C84	[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-n-[9-[(2r,3s,5r)-5-[[[(2r,3s)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid
+[H]/N=C/1\NC(=O)C(=Cc2ccc(o2)c3ccc(cc3)S(=O)(=O)N)S1	C85	4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide
+C[C@]1(C[C@H](SC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF	C86	n-[3-[(4s,6s)-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)C(=O)NCC#N	C87	momelotinib
+Cc1cc(ccc1OC)c2c3c(ncnc3n(n2)CC4CCNCC4)N	C88	3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CN1CCN(CC1)C(=O)c2cccc(c2)CN3c4cccc5c4C(=Cc6c3nccc6)N(C5=O)C	C89	1-methyl-6-(3-(4-methylpiperazine-1-carbonyl)benzyl)-1,2a1,5a,6-tetrahydro-2h-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-2-one
+c1ccc(cc1)Cc2ccc(cc2)NC(P(=O)(O)O)P(=O)(O)O	C8A	{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)
+CN1[C@H](C(=O)N([C@](C1=O)(Cc2ccccc2)O)C)Cc3c[nH]c4c3c(ccc4)[N+](=O)[O-]	C8B	(3~{r},6~{s})-1,4-dimethyl-6-[(4-nitro-1~{h}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione
+c1cc(cc2c1cc[nH]2)CCC3=CC(=O)NC(=N3)N	C8C	2-amino-6-[2-(1h-indol-6-yl)ethyl]pyrimidin-4(3h)-one
+B([C@H](CCO)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC2CCCC2)Oc3c4ccccc4ccn3)(O)[O-]	C8D	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-{(1r)-3-hydroxy-1-[hydroxy(oxido)boranyl]propyl}-4-(isoquinolin-1-yloxy)-l-prolinamide
+CCCCCCCCOCCOCCOCCOCCO	C8E	(hydroxyethyloxy)tri(ethyloxy)octane
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccc(cc2)F)O)O	C8F	8-(4-fluorophenyl)-n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide
+CCC(=O)N1CC(C1)N2CCN(CC2)C(=O)CNc3cc(c(cc3O)Cl)Cl	C8G	1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one
+CN1[C@H](C(=O)N([C@H](C1=O)Cc2c[nH]c3c2c(ccc3)[N+](=O)[O-])C)Cc4ccccc4	C8H	(3~{s},6~{s})-1,4-dimethyl-3-[(4-nitro-1~{h}-indol-3-yl)methyl]-6-(phenylmethyl)piperazine-2,5-dione
+c1cc(cc(c1)C(=O)N)CCN(CCC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	C8J	(2~{r})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid
+c1cc2c(cc1CNC(=O)c3c(cc(cn3)Br)F)OCO2	C8K	~{n}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide
+C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C%16N(C5=O)CN5C%17C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C(=O)N%16CN%17C1=O	C8L	cucurbit[8]uril
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCC(=O)N)O)O)N	C8M	3-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e
+C[NH+](C)C1=C2N([C@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4	C8N	[(3~{s})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
+c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCN	C8O	2-(2-azanylethylamino)-5-nitro-benzoic acid
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O	C8P	n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide
+COC1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4	C8Q	(3~{r})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(nc3N)C(=O)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)O)O)O)O)O)O	C8R	8-amino-n1-cyclic inosine 5'-diphosphoribose
+C1[C@@H]2C[C@@H]2N([C@@H]1CN)C(=O)[C@H](C34CC5C[C@](C3)(C[C@@](C5)(C4)O)O)N	C8S	(2s)-2-amino-1-[(1s,3s,5s)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3r,5s,7s)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one
+CC1=C([C@@H](C(=C(N1)C)N(=O)=O)c2ccccc2C(F)(F)F)C(=O)OC	C8U	methyl (4~{s})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
+C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@H](CN2C=O)NOS(=O)(=O)O	C8V	(2s,5r)-1-formyl-n'-[(3r)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide
+COc1ccc(cc1OCCCC(=O)O)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N	C8W	4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid
+c1cc(ccc1C(=O)OCCO)C(=O)OCCO	C8X	bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C#N	C8Y	(2s,5r)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile
+c1ccc(cc1)[C@H]2CCCN2c3ccnc4c3cc[nH]4	C8Z	4-[(2~{r})-2-phenylpyrrolidin-1-yl]-1~{h}-pyrrolo[2,3-b]pyridine
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)O	C90	n-{(1s,2r)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide
+c1ccc2cc(ccc2c1)NC(=O)Cn3c4ccccc4nc3c5ccccn5	C91	n-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1h-benzimidazol-1-yl]acetamide
+Cc1ccc(cc1C(=O)Nc2ccc(nc2)N)C(=O)NCCC3CCCC3	C92	n'-(6-aminopyridin-3-yl)-n-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide
+c1cc(c(c(c1)N2CCC(CC2)O)C(=O)O)C(=O)O	C93	3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid
+[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)N)/S1	C94	4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-2-(trifluoromethyl)benzenesulfonamide
+[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)C(=O)O)/S1	C95	4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
+[H]/N=C/1\NC(=O)/C(=C(\C)/c2ccc(o2)c3ccc(cc3)S(=O)(=O)N)/S1	C96	4-{5-[(1z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]-2-furyl}benzenesulfonamide
+c1cc(oc1)CN(CCc2ccc(cc2)S(=O)(=O)N)C(=O)CN	C97	n-[(furan-2-yl)methyl]-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide
+c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)Nc3cccc(c3)C(=O)O	C98	3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid
+C[C@H]([C@@H]([C@]1(NC(=O)C(=O)N1CC(=O)O)O)N)O	C99	{(2r)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-2-hydroxy-4,5-dioxoimidazolidin-1-yl}acetic acid
+CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4)S(=O)(=O)C)C(=O)OCc5ccc(cc5)Cl	C9A	4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
+c1ccc(cc1)[C@H]2COCCN2c3ccnc4c3c[nH]n4	C9B	(3~{s})-3-phenyl-4-(2~{h}-pyrazolo[3,4-b]pyridin-4-yl)morpholine
+c1cc(ccc1C(=O)O)C(=O)OCCO	C9C	4-(2-hydroxyethyloxycarbonyl)benzoic acid
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)[C@@H]2CCNC2	C9D	(2s,5r)-1-formyl-n'-[(3r)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide
+CCOC(=O)c1ccnc2c1cc[nH]2	C9E	ethyl 1h-pyrrolo[2,3-b]pyridine-4-carboxylate
+CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC	C9F	[(2~{s},3~{s})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
+CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O	C9G	2-[1-(4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7h)-one
+CCCCCSc1[nH]ncn1	C9H	5-(pentylsulfanyl)-1h-1,2,4-triazole
+CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O	C9J	2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7h)-one
+C[C@@H](CNCCO)N	C9K	2-[[(2~{s})-2-azanylpropyl]amino]ethanol
+CCc1c(nc(nc1N2CCCCC2)N)NC	C9L	5-ethyl-n4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
+COC/C=C/c1ccc(c(c1)OC)O	C9M	2-methoxy-4-[(1e)-3-methoxyprop-1-en-1-yl]phenol
+C[C@@H](CN(C)CCO)N	C9N	2-[[(2~{s})-2-azanylpropyl]-methyl-amino]ethanol
+COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc(c5)Br)F	C9O	~{n}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{h}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]-3-bromanyl-benzenesulfonamide
+B(c1ccc(c(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)C(=O)O)(O)O	C9P	4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid
+CCNC(=O)c1cc2c(ccnc2[nH]1)c3cccc(c3)Cl	C9Q	4-(3-chlorophenyl)-~{n}-ethyl-1~{h}-pyrrolo[2,3-b]pyridine-2-carboxamide
+COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc6c5cccc6)F	C9R	~{n}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{h}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide
+CCCCCC[C@@H](C)C(=O)O	C9T	(2~{r})-2-methyloctanoic acid
+CCn1cc(c(n1)c2cccnc2)c3ccnc(n3)Nc4ccc(cc4)N5CCNCC5	C9U	4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{n}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
+[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCC(=O)O[C@H](COP(=O)(O)OC[C@H](COC(=O)C)OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC)C)C)(F)F	C9V	[(2r,5r,11r,14s,24e)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1h-pyrrol-2-yl-kappan)-5-(3,5-dimethyl-2h-pyrrol-2-ylidene-kappan)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9e)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9e)-octadec-9-enoatato](difluoro)boron
+Cc1cc2c(cc1F)OC[C@H]([C@H]2O)NS(=O)(=O)c3cc(c([nH]3)C)C(=O)N4CC(C4)(C)C#N	C9W	4-(3-cyano-3-methylazetidine-1-carbonyl)-n-[(3r,4s)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2h-1-benzopyran-3-yl]-5-methyl-1h-pyrrole-2-sulfonamide
+CC1=C([C@H](C(=C(N1)C)P2(=O)OCC(CO2)(C)C)c3cccc(c3)[N+](=O)[O-])C(=O)OCCN(Cc4ccccc4)c5ccccc5	C9X	2-[phenyl-(phenylmethyl)amino]ethyl (4~{r})-5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
+c1cc(c(cc1n2cc(nn2)c3ccc4c(n3)C(=O)N(C=C4)CC(=O)O)F)O	C9Y	{2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8h)-yl}acetic acid
+CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@H]6[C@@H]([C@@H](CN6C5)O)O)c7ccc(cc7)OC	C9Z	(9~{s},10~{s},11~{r})-~{n}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide
+[Ca+2]	CA	calcium ion
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)N)O)O)N	CA0	5'-o-[(s)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine
+CCC(=O)OCC	CA1	ethyl propionate
+c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O	CA2	(1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCCC(=O)NCCc4c[nH]c5c4cccc5)O	CA3	coa-s-trimethylene-acetyl-tryptamine
+CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C	CA4	cyproterone acetate
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cc(cc5)Br)O	CA5	coa-s-acetyl 5-bromotryptamine
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)C)O	CA6	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-4-[[3-(4-methylsulfonylbutylamino)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+C1CCC(CC1)CCCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	CA7	7-cyclohexylheptyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)c4ccccc4)O	CA8	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[4-(phenylsulfonyl)butylamino]propyl]amino]butyl] hydrogen phosphate
+C[C@H]1[C@@H](CC(=C[C@H]1O)C#CC2=CCC[C@]3([C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O	CA9	(1r,2s,3r)-5-[2-[(1r,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol
+CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CAA	acetoacetyl-coenzyme a
+C([C@@H](C(=O)O)N)C(C=O)(O)O	CAB	4,4-dihydroxy-5-oxo-l-norvaline
+C[As](=O)(C)[O-]	CAC	cacodylate ion
+C[As](=O)(C)O	CAD	cacodylic acid
+CC1(C2CCC1(CC2)C)C	CAE	camphane
+C[As](=O)(C)SC[C@@H](C(=O)O)N	CAF	s-dimethylarsinoyl-cysteine
+C[C@H](c1ccccc1[N+](=O)[O-])O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	CAG	guanosine 5'-triphosphate p3-[1-(2-nitrophenyl)ethyl ester]
+CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C	CAH	5-exo-hydroxycamphor
+C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](C[C@H]2[C@@H](O2)\C=C\C1=O)C)OC(=O)C)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O	CAI	carbomycin a
+CCOC(=O)CCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CAJ	ethyl 5-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]pentanoate
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)COP(=O)(O)O	CAK	[(1r,2r,3s,4s,5r)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate
+CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O	CAL	5-amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid
+CC1([C@@H]2CC[C@]1(C(=O)C2)C)C	CAM	camphor
+C(CON)[C@@H](C(=O)O)N	CAN	canaline
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O	CAO	oxidized coenzyme a
+C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O	CAP	2-carboxyarabinitol-1,5-diphosphate
+c1ccc(c(c1)O)O	CAQ	catechol
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	CAR	cytosine arabinose-5'-phosphate
+C[As](C)SC[C@@H](C(=O)O)N	CAS	s-(dimethylarsenic)cysteine
+CCCCCCCCCCCC[N+](C)(C)C	CAT	dodecane-trimethylamine
+CC(C)NC[C@@H](COc1cccc2c1c3ccccc3[nH]2)O	CAU	(2s)-1-(9h-carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
+CC(C)[C@H]([C@H]([C@@H]([C@H](CC1CCCCC1)N)O)O)C(=O)O	CAV	5-amino-6-cyclohexyl-3,4-dihydroxy-2-isopropyl-hexanoic acid
+c1ccc2c(c1)cccc2C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	CAW	n-[[(2r,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-1-carboxamide
+C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O	CAX	(2s,4s)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentanone
+C([C@@H](C(=O)O)N)SCC(=O)O	CAY	carboxymethylenecysteine
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O	CAZ	acylated ceftazidime
+C(=C\Br)\Br	CB0	cis-dibromoethene
+c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N	CB1	5-(aziridin-1-yl)-2,4-dinitrobenzamide
+C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)Br	CB2	phosphoric acid mono-[5-(4-amino-5-bromo-2-oxo-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester
+C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	CB3	10-propargyl-5,8-dideazafolic acid
+B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)(O)O	CB4	pinacol[[2-amino-alpha-(1-carboxy-1-methylethoxyimino)-4-thiazoleacetyl]amino]methaneboronate
+[B@H]12[BH]345[BH]167[BH]389[BH]413[BH]54[BH]115[BH]383[CH]966[CH]722[Co]3611367([BH]524)[BH]24[BH]115[BH]228[BH]119[BH]353[BH]115[BH]922[BH]88[BH]211[CH]684[CH]7153	CB5	cobalt bis(1,2-dicarbollide)
+Cc1ccc2c(c1)cc(s2)COC3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O	CB6	(1r,4s,5r)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid
+c1cc2c(ccs2)cc1CC3=C([C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O)OCc4ccc5c(c4)ccs5	CB7	(1r,4s,5r)-3-(benzo[b]thiophen-5-yl)methoxy-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxycyclohex-2-ene-1-carboxylate
+c1ccc2c(c1)cc(s2)COC3=C([C@](C[C@H]([C@@H]3O)O)(C(=O)O)O)Cc4cccs4	CB8	(1r,4s,5r)-3-(benzo[b]thiophen-2-yl)methoxy-1,4,5-trihydroxy-2-(thien-2-yl)methylcyclohex-2-en-1-carboxylate
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@H](c2ccccc2)C(=O)O)C(=O)O)C	CB9	(2r,4s)-2-[(1r)-1-{[(2s)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@]([C@H](C(=O)O)O)(C(=O)O)O)O	CBA	n-pyridoxyl-2,3-dihydroxyaspartic acid-5-monophosphate
+[H]/N=C(/c1cccc(c1)Cn2c3ccccc3cc2C(=O)OCc4cccc(c4)/C(=N\[H])/N)\N	CBB	1-(3-carbamimidoyl-benzyl)-1h-indole-2-carboxylic acid 3-carbamimidoyl-benzylester
+c1ccc(c(c1)C(F)(F)F)S(=O)(=O)NNC(=O)c2cc3cc(ccc3o2)Cl	CBC	n'-(5-chlorobenzofuran-2-carbonyl)-2-(trifluoromethyl)benzenesulfonohydrazide
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O	CBD	cibacron blue
+CC1=C(SCCO1)C(=O)Nc2ccccc2	CBE	2-methyl-n-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(C(=O)N)O)O)O)O)O	CBF	(2r,3r,4s,5s,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide
+CCC=O	CBG	propanal
+C(CCSCC[C@@H](C(=O)O)N)CC(=O)O	CBH	s-(d-carboxybutyl)-l-homocysteine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	CBI	cellobiose
+c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4	CBJ	6-[(5-bromo-2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	CBK	4-o-beta-d-glucopyranosyl-alpha-d-glucopyranose
+c1cc(ccc1CCCC(=O)O)N(CCCl)CCCl	CBL	chlorambucil
+CC(=O)O	CBM	carboxymethyl group
+Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3Cl)OC(=O)C(=C4O)NC(=O)c5ccc(c(c5)CC=C(C)C)O)O	CBN	clorobiocin
+CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C	CBO	carbenoxolone
+c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO	CBP	2-{4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-tetrahydro-pyran-4-yl}-n-hydroxy-acetamide
+c1cc(ncc1Cl)NC(P(=O)(O)O)P(=O)(O)O	CBQ	[(5-chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O)O	CBR	5-bromo-2'-deoxy-cytidine-5'-monophosphate
+c1cc(ccc1CN(Cc2ccc(cc2)Cl)c3n[nH]nn3)Cl	CBT	n,n-bis(4-chlorobenzyl)-1h-1,2,3,4-tetraazol-5-amine
+C1(C(C(C(C(C1O)O)O)O)O)O	CBU	(1r,2r,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)Br	CBV	5-bromocytidine 5'-(dihydrogen phosphate)
+CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C	CBW	(3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid
+C(=O)O	CBX	carboxy group
+CC1=C2[C@]([C@H]([C@H]3[N-]2[Co+2]45[N]6=C1[C@H](C(C6=CC7=[N]4C(=C(C8=[N]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O	CBY	cob(ii)inamide
+c1ccc(cc1)COC=O	CBZ	carbobenzoxy group
+C[C@@H](c1ccc(c(c1)C(=O)N)OCC2CCCCC2)NC(=O)[C@H](Cc3ccc(c(c3)P(=O)(O)O)OCC(=O)O)NC(=O)C	CC0	(4-{2-acetylamino-2-[1-(3-carbamoyl-4-cyclohexylmethoxy-phenyl)-ethylcarbamoyl}-ethyl}-2-phosphono-phenoxy)-acetic acid
+CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCc3c2cc(c(c3)OCC4CCCCC4)C(=O)N	CC1	{4-[2-acetylamino-2-(3-carbamoyl-2-cyclohexylmethoxy-6,7,8,9-tetrahydro-5h-benzocyclohepten-5ylcarbamoyl)-ethyl]-2-phosphono-phenyl}-phosphonic acid
+Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4	CC2	4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2h-chromen-2-one
+c1cc(cc(c1)Nc2ccnc(n2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F	CC3	n-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide
+C=C(C[SeH])C(=O)O	CC4	2-(selanylmethyl)prop-2-enoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](CO3)O)O)N	CC5	beta-d-erythrofuranosyl-adenosine
+c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O	CC6	3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4h-1-benzopyran-4-one
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O[P@](=O)(O1)O	CC7	4-amino-1-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1h)-one
+C[C@H](CS)C(=O)O	CC8	(2s)-2-methyl-3-sulfanylpropanoic acid
+COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O	CC9	curcumin
+C[N@@H+]1[C@@H]2CC[C@H]1[C@@H]([C@@H](C2)OC(=O)c3ccccc3)C(=O)OC	CCA	2-benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-3-carboxylic acid methyl ester
+C1CCC(C1)N(C=O)C2CCC2	CCB	cyclobutyl(cyclopentyl)formamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)(O3)O	CCC	cytidine-5'-phosphate-2',3'-cyclic phosphate
+C[C@H](CCC[N+](C)(C)C)O	CCD	(4r)-4-hydroxy-n,n,n-trimethylpentan-1-aminium
+C[N+](C)(C)CCOC(=O)N	CCE	2-[(aminocarbonyl)oxy]-n,n,n-trimethylethanaminium
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=O)C)CCC(=O)O)C	CCH	[7-ethenyl-12-formyl-3,8,13,17-tertramethyl-21h,23h-porphine-2,18-dipropanoato(2)-n21,n22,n23,n24]iron
+CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC)C)NO[C@H]3C[C@@H]([C@@H]([C@H](O3)C)SC(=O)c4c(c(c(c(c4OC)OC)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)OC)O)I)C)O)O	CCI	calicheamicin gamma-1-oligosaccharide
+CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O	CCK	[1-(6-{6-[(1-methylethyl)amino]-1h-indazol-1-yl}pyrazin-2-yl)-1h-pyrrol-3-yl]acetic acid
+C1CCC(C1)OC(=O)NCCCC[C@H](C(=O)O)N	CCL	n~6~-[(cyclopentyloxy)carbonyl]-d-lysine
+CC1(CCCC1)C(=O)O	CCM	1-methyl-1-carboxy-cyclopentane
+CC#N	CCN	acetonitrile
+c1cc(cc(c1)Cl)c2nc(on2)SCC(=O)O	CCO	carboxymethylthio-3-(3-chlorophenyl)-1,2,4-oxadiazol
+CCCCP(=O)(O)O	CCP	butylphosphonate
+CC(C)(CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](C[N+](C)(C)C)O)O	CCQ	l-carnitinyl-coa inner salt
+Cc1cc(c(c(c1S(=O)(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccc(cc2)C(=N)N)C(=O)N3CCCCC3)C)C)OC	CCR	[n-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine
+C([C@@H](C(=O)O)N)SCC(=O)O	CCS	carboxymethylated cysteine
+Cc1ccccc1S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)C#N	CCT	5-(4-cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid
+C(=C/C(=O)O)/C=C\C(=O)O	CCU	(2z,4z)-hexa-2,4-dienedioic acid
+CC1=C(NC(=O)NC1=O)CC(CO)CO	CCV	6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-2,4(1h,3h)-pyrimidinedione
+CS(=O)(=O)C/C(=N\CCC[C@@H](C(=O)O)N)/N	CCW	(s)-2-amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid
+c1cc2c(c[nH]c2c(c1)C(=O)NC3CCN(CC3)CCCCc4c[nH]c5c4cc(cc5)C#N)C#N	CCX	3-cyano-n-{1-[4-(5-cyano-1h-indol-3-yl)butyl]piperidin-4-yl}-1h-indole-7-carboxamide
+c1cc(ccc1CC2C(=O)N(C(N2)[C@H](CS)N)CC(=O)O)O	CCY	2-(1-amino-2-mercapto-ethyl)-5-(4-hydroxy-benzyl)-3-(ethanoyl)-3,5-dihydro-imidazol-4-one
+[H]/N=C(/c1ccc(cc1)C[P@@](=O)(O)Oc2ccccc2)\N	CCZ	phenyl (4-carbamimidoylbenzyl)phosphonate
+[Cd+2]	CD	cadmium ion
+CCCCCc1cc(c(c(c1)O)[C@@H]2C[C@H](CC[C@H]2C(=C)C)C)O	CD0	2-[(1r,2r,5s)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol
+[OH2][Cd+2]	CD1	cadmium ion, 1 water coordinated
+c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc(n(n4)CCN)C(=O)O	CD2	1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1h-pyrazole-5-carboxylic acid
+[OH2][Cd+2]([OH2])[OH2]	CD3	cadmium ion, 3 waters coordinated
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC(CO[P@@](=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCC	CD4	(2r,5r,11r,14r)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate
+[OH2][Cd+2]([OH2])([OH2])([OH2])[OH2]	CD5	cadmium ion, 5 waters coordinated
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2ccccc2	CD6	(2r)-5-methylidene-2-{(1r)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+[H]/N=C\1/CC[C@H](N(C1)C=O)C(=O)NNC(=O)[C@@H]2CCN(C2)OS(=O)(=O)O	CD7	(2s,5z)-1-formyl-5-imino-n'-[(3r)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide
+CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)c2ccccc2	CD8	(2r)-2-[(1s)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1cc2c(cc1Cl)N(C(=O)C2)Cc3ccc4c(c3C(=O)O)OCO4	CD9	5-[(6-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
+CC1=CN=C(C(=O)N1CC(=O)NCc2c(cccn2)F)NCC(c3ccccn3)(F)F	CDA	2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-6-pyridinyl)methyl]acetamide
+Cc1ccnc(c1F)CNC(=O)CN2C(=C[NH+]=C(C2=O)NCC(c3cccc[nH+]3)(F)F)C	CDB	2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-3-methyl-6-pyridinyl)methyl]acetamide
+C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O	CDC	[2-cytidylate-o'-phosphonyloxyl]-ethyl-trimethyl-ammonium
+c1ccc(c(c1)CNC(=O)CN2C(=CN=C(C2=O)NCC(c3cccc[n+]3[O-])(F)F)Cl)F	CDD	2-(6-chloro-3-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluorophenyl)methyl]acetamide
+CC(C)[C@@H](C)N	CDE	1,2-dimethyl-propylamine
+C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O	CDF	4-amino-1-{5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-alpha-d-arabinofuranosyl}pyrimidin-2(1h)-one
+C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O	CDG	methyl 4,6-o-[(1r)-1-carboxyethylidene]-beta-d-galactopyranoside
+CC(=C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	CDH	d-(l-a-aminoadipoyl)-l-cysteinyl-d-isodehydrovaline
+C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO	CDI	2c-methyl-d-erythritol 2,4-cyclodiphosphate
+c1cc2c(c(c1)N)C=C(NC2=O)c3ccc(cc3)Cl	CDJ	5-amino-3-(4-chlorophenyl)isoquinolin-1(2h)-one
+CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC	CDK	4-[4-(3,4-dimethyl-2-oxo-2,3-dihydro-thiazol-5-yl)-pyrimidin-2-ylamino]-n-(2-methoxy-ethyl)-benzenesulfonamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC	CDL	cardiolipin
+C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O	CDM	4-diphosphocytidyl-2-c-methyl-d-erythritol
+CCCCCCCCCCCCCCC(O)O[C@H](COC(CCCCC)O)CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(CCCCCCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCC)O)O	CDN	cardiolipin
+[H]/N=C(/c1ccc(cn1)CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N	CDO	2-((r)-1-((s)-2-(n-(6-carbamimidoylpyridin-3-yl)methylcarbamoyl)-2h-pyrrol-1(5h)-yl)-3-cyclohexyl-1-oxopropan-2-ylamino)acetic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O	CDP	cytidine-5'-diphosphate
+c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4	CDQ	6-[(5-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+C[C@@H]1[C@H](CC[C@@H](O1)O)O	CDR	(2r,5s,6r)-6-methyltetrahydro-2h-pyran-2,5-diol
+Cc1c(scn1)\C=C/C2=C(N[C@H](SC2)[C@@H](C=O)NC(=O)/C(=N\OC)/c3csc(n3)N)C(=O)O	CDS	(2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-[(z)-2-(4-methyl-1,3-thiazol-5-yl)vinyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CSCC[C@H](C(=O)O)NC(=O)N	CDT	4-methylsulfanyl-2-ureido-butyric acid
+CCCCCCCCCCNC(=O)NC1CCCCC1	CDU	n-cyclohexyl-n'-decylurea
+CC(C)[C@H](C(=O)O)NC(=O)N	CDV	3-methyl-2-ureido-butyric acid
+C1[C@@H]([C@H](O[C@H]1N2[C@@H]3C=CN3C2=O)COP(=O)(O)O)O	CDW	(4r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1,3-diazabicyclo[2.2.0]hex-5-en-2-one
+C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	CDX	(s)-4,4'-(1-methyl-1,2-ethanediyl)bis-2,6-piperazinedione
+c1nc2c(nc(nc2n1[C@H]3CC[C@H](O3)CO)Cl)N	CDY	2-chlorodideoxyadenosine
+CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O	CDZ	3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
+[Ce+3]	CE	cerium (iii) ion
+CC1=C(N[C@H](SC1)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)C(C2CSC(=N2)N)NOC)C(=O)O	CE0	(2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-1-{[(2r)-2-[(4s)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]-2-(methoxyamino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO	CE1	o-dodecanyl octaethylene glycol
+CC(C)(C)c1c(c(no1)[O-])C[C@@H](C(=O)[O-])[NH3+]	CE2	3-(5-tert-butyl-3-oxidoisoxazol-4-yl)-l-alaninate
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c3csc(n3)N)SC1)C(=O)O	CE3	(6r,7r)-3-(acetyloxymethyl)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O	CE4	(2r)-2-[(r)-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2h-1,3-thiazine-4-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O)CO)CO)CO)CO)O)O)O)O	CE5	cellopentaose
+C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O)CO)CO)CO)CO)CO)O)O)O)O	CE6	cellohexaose
+C([C@@H](C(O)(O)O)N)C(=O)N	CE7	(3s)-3-amino-4,4,4-trihydroxybutanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H]([C@@H]([C@H]8O)O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O)O	CE8	cellooctaose
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	CE9	dodecyl nona ethylene glycol ether
+C([C@@H](C(=O)O)N)SO	CEA	s-hydroxy-cysteine
+CC[C@@](C)(C#N)Nc1nc(nc(n1)Cl)NCC	CEB	2-chloro-4-ethylamino-6-(s(-)-2'-cyano-4-butylamino)-1,3,5-triazine
+C(CCl)NC=O	CEC	chloroethylcarbamoyl group
+CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O	CED	5-methyl-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+c1ccc(cc1)CCCl	CEE	(2-chloroethyl)benzene
+CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O	CEF	cefotaxime, c3' cleaved, open, bound form 
+C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O	CEG	4,6-o-[(1s)-1-carboxyethylidene]-beta-d-glucopyranose
+C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)C	CEH	5-{3-(s)-(4-(r)-acetylamino-4-carboxy-butyrylamino)-3-[1-(r)-(1-(r)-carboxy-ethylcarbamoyl)-ethylcarbamoyl]-propyl}-2-( carboxy-phenylacetylamino-methyl)-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O	CEI	n-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
+C1CC(=O)CC1=O	CEJ	cyclopentane-1,3-dione
+CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O	CEK	(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-n-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide 
+Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	CEL	4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide
+C(C=O)C([C@H](C(=O)O)N\C=C/C=O)O	CEM	n-(1-carboxy-2-hydroxy-4-oxo-butyl)-n-(3-oxo-cispropenyl)amine
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O	CEN	7beta-(4carboxybutanamido) cephalosporanic acid
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2	CEO	5-methylene-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+COC(=O)CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O	CEP	cephalothin group
+CC[Si](C)(C)C	CEQ	ethyl-trimethyl-silane
+C\C=C\C\C=C\CCC(=O)[C@H](CC(=O)N)O	CER	(2s, 3r)-3-hydroxy-4-oxo-7,10-trans,trans-dodecadienamide
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c2ccco2)C(=O)O	CES	2-[carboxy-(2-furan-2-yl-2-methoxyimino-acetylamino)-methyl]-5-methyl-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+CC[C@](C)(C#N)Nc1nc(nc(n1)Cl)NCC	CET	2-chloro-4-ethylamino-6-(r(+)-2'-cyano-4-butylamino)-1,3,5-triazine
+CNc1cc(nc(n1)N)N2CCN(CC2)C	CEU	n4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)N	CEV	ethyl (4r)-4-amino-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C(=NOC)C2=CSC(N2)N)C(=O)O	CEW	(2r)-2-[(1r)-1-({[(2r)-2-amino-2,3-dihydro-1,3-thiazol-4-yl](methoxyimino)acetyl}amino)-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O)CO)CO)CO)CO)O)O)O)O	CEX	alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)  -alpha-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O	CEY	alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)  -alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O	CEZ	4-o-beta-d-glucopyranosyl-d-gluconic acid
+[Cf+3]	CF	californium ion
+CF	CF0	fluoromethane
+COc1ccc(c(c1)C(=O)O)Nc2cc(ccc2Cl)C(F)(F)F	CF1	2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-5-methoxybenzoic acid
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCNC(=O)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5N=C(NC6=O)N)O	CF2	2'-deoxy-5'-o-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)ethyl]carbamoyl}guanosine
+c1ccc(cc1)NC(=O)CCCCCCC(=O)C(F)(F)F	CF3	9,9,9-trifluoro-8-oxo-n-phenylnonanamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCNC(=O)O	CF4	[4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)butyl]carbamic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC[C@H]2O	CF5	coformycin 5'-phosphate
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C	CF6	n,n'-(decane-1,10-diyl)bis{2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
+CC(C)N1c2ccc(cc2C(=O)N(C1=O)CC3CC3)NC(=O)N4CCO[C@H](C4)C(=O)Nc5ccc(c(c5)Cl)C#N	CF7	(2r)-n~2~-(3-chloro-4-cyanophenyl)-n~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide
+c1ccc2cc(ccc2c1)Cc3ccccc3/C=C(/C(=O)O)\S	CF8	(~{z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid
+c1cc2c(ccc3c2c(c1)C(=O)O3)OC(=O)c4ccc(cc4)[N+](=O)[O-]	CF9	2-oxo-2h-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate
+c1cc(c(cc1Cl)Cl)OCC(=O)O	CFA	(2,4-dichlorophenoxy)acetic acid
+c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)Cl)N	CFB	2-chloro-9-(2-deoxy-2-fluoro-b -d-arabinofuranosyl)-9h-purin-6-amine
+CN(C)C(=O)C12[C@@H]3[Fe]1456789([C@@H]3[C@H]4[C@H]52)[C@H]1[C@@H]6[C@@H]7C8([C@@H]91)C(=O)O	CFC	1-carboxy-1'-[(dimethylamino)-carbonyl]ferrocene
+C[C@H](\C=C(/C)\[C@@H](C)N)C=O	CFD	(2r,3e,5r)-5-amino-2,4-dimethylhex-3-enal
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC[C@H]2O	CFE	(8r)-3-beta-d-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
+Cn1cnc2c1C(=O)N(C(=O)N2C)C	CFF	caffeine
+CN([C@H](c1ccc(cc1)OC)C(=O)Nc2ccc(cc2)[Si](C)(C)C)C(=O)C3=CC(=O)NO3	CFG	n-[(1r)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-n-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide
+C(C(F)(F)F)(C(F)(F)F)O	CFH	1,1,1,3,3,3-hexafluoropropan-2-ol
+c1ccc(cc1)N(N=O)O	CFI	1-hydroxy-2-oxo-1-phenylhydrazine
+CCN1c2ccc(cc2C(=O)N(C1=O)CC)NC(=O)C[C@H](C)CC(=O)Nc3ccc(c(c3)Cl)C#N	CFJ	(3s)-n~1~-(3-chloro-4-cyanophenyl)-n~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide
+c1ccc(cc1)c2cc(c(s2)C(=O)N)NC(=O)N	CFK	3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	CFL	4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)pyrimidin-2(1h)-one
+S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48	CFM	fe-mo-s cluster
+N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12	CFN	fe(7)-mo-s(9)-n cluster
+O([Fe])[Fe]Cl	CFO	chloro diiron-oxo moiety
+c1[nH]c2c(n1)c(nc(n2)F)Cl	CFP	6-chloro-2-fluoropurine
+C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F	CFQ	1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine
+C1CCC(CC1)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N	CFS	4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-pentanoic acid
+C(F)(F)F	CFT	trifluoromethane
+CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C)C(=O)O	CFU	(2r)-2-[(1r)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C1=CN(C(=O)N=C1N)C[C@H](CO)OCP(=O)(O)O	CFV	[(2r)-1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid
+CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)Cc3cccs3	CFX	cefoxitin
+c1ccc(cc1)C[C@@H]([C@@]2(N=C(CS2)C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O)O)N	CFY	[(4z)-2-{(2r)-2-[(1s)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	CFZ	2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)
+c1cc2c(c(c1)C(=N)N)CCC2=NNC(=N)N	CG	4-amidinoindan-1-one-2'-amidinohydrazone
+CCc1c(nc(nc1N2CCN(CC2)C)N)NC3CC3	CG0	n4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
+CO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O	CG1	5'-o-[(r)-hydroxy(methoxy)phosphoryl]guanosine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=NC5=O)N)CO)O)O)O)N=C(NC2=O)N	CG2	cytidyl-2'-5'-phospho-guanosine
+c1ccc(c(c1)[N+](=O)O)O	CG3	hydroxy(2-hydroxyphenyl)oxoammonium
+COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(=O)O	CG4	4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid
+CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@@H]6[C@H]([C@H](CN6C5)O)O)c7ccc(cc7)OC	CG5	(9~{r},10~{r},11~{s})-~{n}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide
+C[C@H]([C@@H](C(=O)O)N)S	CG6	beta-methyl-cysteine
+Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl	CG7	5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1h-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid
+CN1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	CG8	(2~{s})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid
+c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6	CG9	6-(1h-indazol-6-yl)-n-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
+C(CC(=O)OCC(=O)O)C(C(=O)O)N	CGA	carboxymethylated glutamic acid
+C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O	CGB	calystegine b2
+c1ccc2c(c1)nc(s2)O	CGD	1,3-benzothiazol-2-ol
+COC(=O)[C@H](c1ccccc1Cl)N2CCc3c(ccs3)C2	CGE	clopidogrel
+C([C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(C(N)O)N=[N+]=[N-])O)O)O)O	CGF	c-(1-azido-alpha-d-glucopyranosyl) formamide
+c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@@H]([C@@H]2O)O)(C(=O)O)O)O)O	CGG	chlorogenic acid
+C1CCCC(CC1)NCC(=O)O	CGH	n-cycloheptylglycine
+Cc1nnc2n1-c3ccccc3COC2	CGJ	1-methyl-4h,6h-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@H](O4)S[C@](O5)(CCC(=O)O)O)O)O)O)N	CGK	3-[(2r,3ar,5r,6r,6ar)-5-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid
+C(CC(=O)NC(CSSCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N	CGL	cystine-glutathione
+CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\C)C	CGM	(4r,5s,6s,7r,9r,11e,13e,15s,16r)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-d-glucopyranoside
+C1CC(=O)N[C@@H]1C=O	CGN	5-oxo-pyrrolidine-2-carbaldehyde
+c1cc2c(cc(c(c2cc1)N)/N=N/c3ccc(cc3)c4ccc(cc4)/N=N/c5c(c6c(c(c5)S(=O)(=O)[O-][Na+])cccc6)N)S(=O)(=O)[O-][Na+]	CGO	sodium 3,3'-(1e,1'e)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N	CGP	2'-deoxycytidine-2'-deoxyguanosine-3',5'-monophosphate
+c1cc(cc(c1)C(=[NH2+])N)\C=N\N/C(=[NH+]/N=C/c2cccc(c2)C(=[NH2+])N)/N	CGQ	3-[c-[n'-(3-carbamimidoyl-benzylidenium)-hydrazino]-[[aminomethylidene]aminium]-iminomethyl]-benzamidinium
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3CN([C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(O1)O)O)O)O)C5=C3C(=O)NC(=N5)N)O)O	CGR	cyclic guanosine diphosphate-ribose
+CC(C)[C@H](C(=O)NO)[N@@](Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC	CGS	n-hydroxy-2(r)-[[(4-methoxyphenyl)sulfonyl](3-picolyl)amino]-3-methylbutanamide hydrochloride
+c1ccc(cc1)C/C(=N/OS(=O)(=O)O)/S[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	CGT	carba-glucotropaeolin
+C(C(C(=O)O)C(=O)O)[C@@H](C(=O)O)N	CGU	gamma-carboxy-glutamic acid
+C([C@@H](C(=O)O)N)S[C@H](C(=O)O)O	CGV	s-[(r)-carboxy(hydroxy)methyl]-l-cysteine
+C1C2=C(CS1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	CGW	(2~{s})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid
+CCc1c(nc(nc1N2CCCCC2)N)NC3CC3	CGX	n4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
+c1c(c(nc(c1N(O)O)N)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	CGY	(1r)-1,4-anhydro-2-deoxy-1-[2,6-diamino-5-(dihydroxyamino)pyridin-3-yl]-5-o-phosphono-d-erythro-pentitol
+C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	CH	n3-protonated cytidine-5'-monophosphate
+CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)C)OCCO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)OCCO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C	CH0	2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	CH1	3'-deoxy-cytidine-5'-triphosphate
+[CH2]	CH2	methylene group
+C	CH3	methyl group
+C(CNCC(CNCCN)C=O)N	CH4	3-[(2-aminoethyl)amino]-2-{[(2-aminoethyl)amino]methyl}propanal
+C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O	CH5	2-(((r)-2,3-dihydroxypropyl)phosphoryloxy)-n,n,n-trimethylethanaminium
+CSCC[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N	CH6	{(4z)-2-[(1s)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)C3=NCCCC3)CC(=O)O)O	CH7	[(4z)-4-(4-hydroxybenzylidene)-5-oxo-2-(3,4,5,6-tetrahydropyridin-2-yl)-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1ccc(cc1)Oc2ccc(cc2O)Cl	CH8	5-chloro-2-phenoxyphenol
+c1ccc(cc1)c2ccccc2O	CH9	2-hydroxybiphenyl
+C1CCC(CC1)C[C@@H](CO)N	CHA	1-hydroxy-2-amino-3-cyclohexylpropane
+c1cc(c(cc1C(=O)O)Cl)O	CHB	3-chloro-4-hydroxybenzoic acid
+CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O	CHC	6-ethyl-chenodeoxycholic acid
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	CHD	cholic acid
+C1CCC(CC1)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N	CHF	cyclohexylfluorostatone
+C1CCC(CC1)[C@@H](C(=O)O)N	CHG	cyclohexyl-glycine
+CC(=O)CCC[N+](C)(C)C	CHH	n,n,n-trimethyl-4-oxopentan-1-aminium
+c1cc(ccc1C[C@@H](C(=O)N2CCC(CC2)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl)F	CHI	5-chloro-1h-indole-2-carboxylic acid [1-(4-fluorobenzyl)-2-(4-hydroxypiperidin-1yl)-2-oxoethyl]amide
+CC1=CC(=O)Oc2c1ccc(c2)Oc3ccc(cc3O)Cl	CHJ	7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2h-chromen-2-one
+C1CCC(CC1)CC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O	CHK	6-[(cyclohexylacetyl)(2-hydroxyethyl)amino]-6-deoxy-d-xylo-hexitol
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O	CHL	chlorophyll b
+C(C(=O)CCl)Cl	CHM	1,3-dichloro-propan-2-one
+C1CC(CCC1CN)N	CHN	4-aminomethyl-cyclohexylamine
+C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	CHO	glycochenodeoxycholic acid
+c1cc(c(cc1[C@@H](C(=O)O)N)Cl)O	CHP	3-chloro-4-hydroxyphenylglycine
+c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2	CHQ	cyclo-(l-histidine-l-proline) inhibitor
+Cc1cc(cc2c1ccc(c2C(=O)O[C@@H]3C=C\4C#C[C@]5([C@H](O5)C#C\C=C4\[C@H]3O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)O)O)NC)[C@H]7COC(=O)O7)O)OC	CHR	neocarzinostatin-chromophore
+C1CCC(CC1)C[C@@H]([C@H](CC(=O)O)O)N	CHS	4-amino-5-cyclohexyl-3-hydroxy-pentanoic acid
+C[N+](C)(C)CCO	CHT	choline ion
+CC1=C(C(=O)Oc2c1ccc(c2)Oc3ncccn3)Cc4ccnc(c4F)NS(=O)(=O)NC	CHU	n-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2h-chromen-3-yl]methyl}pyridin-2-yl)-n'-methylsulfuric diamide
+c1cc2c(cc1O)OC(=O)C(=C2)Oc3ccc(cc3O)Cl	CHV	3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2h-chromen-2-one
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/[C@H](C)O)O)C=O	CHW	3-chloro-4,6-dihydroxy-5-[(2e,6e,8s)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde
+C1CCCCC1	CHX	cyclohexane
+c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O	CHZ	1,8-dihydroxyanthracene-9,10-dione
+c1ccc(cc1)CS(=O)(=O)N2CCC[C@@](C2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O	CI1	(2z)-4-[(3s)-1-(benzylsulfonyl)-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C	CI2	(5beta)-pregnane-3,20-dione
+c1ccc(cc1)CN2CCC[C@@](C2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O	CI3	(2z)-4-[(3s)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid
+c1cc(c(c(c1)Cl)F)CN2Cc3ccc(c(c3C2=O)O)O	CI4	2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1h-isoindol-1-one
+c1cc(c(cc1N(O)O)N(O)O)NCCOCCOCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	CI9	n-({(1s)-5-[4-(13-{[2,4-bis(dihydroxyamino)phenyl]amino}-2,5,8,11-tetraoxatridec-1-yl)-1h-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-l-glutamic acid
+CN1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6	CIA	6-benzo[1,3]dioxol-5-yl-2-methyl-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
+CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C	CIB	2-acetylamino-4-methyl-pentanoic acid [1-(1-formyl-pentylcarbamoyl)-3-methyl-butyl]-amide
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC[C@@](CC(=O)O)(C(=O)O)O)O	CIC	citryl-thioether-coenzyme *a
+c1cc(ccc1c2c(n3ccsc3n2)\C=N\OCc4ccc(c(c4)Cl)Cl)Cl	CID	6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde o-(3,4-dichlorobenzyl)oxime
+CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)Cl)OC	CIE	2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester
+c1c(nc(cn1)Cl)N	CIG	2-amino-6-chloropyrazine
+C/C(=C(\C#N)/C(=O)Nc1ccc(c(c1)Cl)c2ccccc2Cl)/O	CIH	(2z)-2-cyano-n-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide
+CC(C)[C@@H](C(=O)Nc1ccncc1)NC(=O)C2CCCCC2	CII	n-[(1s)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
+c1cc(c(cc1CN2C(=O)c3ccc(c(c3C2=O)O)O)Cl)F	CIJ	2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1h-isoindole-1,3(2h)-dione
+CC1(C[C@@H]1C(=O)N/C(=C\CCCCSCC(C(=O)O)N)/C(=O)O)C	CIL	cilastatin
+c1cc(ccc1\C=C\C(=O)O)C(=O)O	CIN	4-carboxycinnamic acid
+COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N	CIO	cilomilast
+C1[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O[P@]1(=O)O)O)O)O)O	CIP	inositol-2-methylene-1,2-cyclic-monophosphate
+CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC	CIQ	2-cyclohexyl-6-methoxy-n-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
+C(C[C@@H](C(=O)O)N)CNC(=O)N	CIR	citrulline
+CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)O	CIS	(15z)-n-((1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-enyl)tetracos-15-enamide
+C(C(=O)O)C(CC(=O)O)(C(=O)O)O	CIT	citric acid
+c1cc(ccc1NC(=O)NC2CCCCC2)I	CIU	n-cyclohexyl-n'-(4-iodophenyl)urea
+c1cc(ccc1CC2=NC(=[N+](C2=O)CC(=O)N)[C@H](CCCCN)N)O	CIV	2-[2-[(1~{s})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide
+c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4	CIW	5-[(5-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
+B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)(O)O	CIX	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(1r)-1-(dihydroxyboranyl)-3-methylbutyl]-l-leucinamide
+COc1cc(ccc1O)/C=C/C=O	CIY	(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
+C/C(=C/C(=O)O)/C(=O)O	CIZ	(~{z})-2-methylbut-2-enedioic acid
+CNc1cc(nc(n1)N)N2CCOCC2	CJ0	n4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
+c1cn(c2c1c(nc(n2)O)O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	CJ1	7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diol
+COc1ccc(cc1)Cn2c(c(nn2)O)C(=O)Nc3cccc(c3)C(F)(F)F	CJ2	3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{n}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide
+B1(c2ccccc2C=NN1C(=S)N)O	CJ3	1-hydroxy-2,3,1-benzodiazaborinine-2(1h)-carbothioamide
+CNCCCN(C)c1ncc(c(n1)N2CC(C2)C(=O)NCc3cnc4n3cccc4)F	CJ4	1-(5-fluoro-2-{methyl[3-(methylamino)propyl]amino}pyrimidin-4-yl)-n-[(imidazo[1,2-a]pyridin-3-yl)methyl]azetidine-3-carboxamide
+c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Nc3nccc(n3)Nc4cc([nH]n4)C5CCCC5)C(F)(F)F	CJ5	1-[4-[[4-[(5-cyclopentyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
+CN1CCN(CC1)c2cc(nc(n2)N)NC3CC3	CJ6	n4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
+Cn1c2ccc(cc2c3c1nc(nn3)SCCN4CCCCC4)F	CJ7	8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5h-[1,2,4]triazino[5,6-b]indole
+CCCNC(=O)[C@@H]([C@H](C(=O)NCCC)O)O	CJ8	(2~{r},3~{r})-2,3-bis(oxidanyl)-~{n},~{n}'-dipropyl-butanediamide
+c1c(nc(nc1N2CCCCC2)N)NC3CC3	CJ9	n4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
+CC(C)(C)C(=O)CSc1ncc2c(n1)-c3c(csc3SC)CC2	CJA	3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	CJB	1-beta-d-glucopyranosylpyrimidine-2,4(1h,3h)-dione
+CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nc4)N=CC(=O)N5)Cl	CJC	7-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1h)-one
+CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OC	CJD	5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(r)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2h)-one
+CCOC(=O)[C@H](C)C(=O)C	CJE	ethyl (2~{r})-2-methyl-3-oxidanylidene-butanoate
+c1c(nc(nc1N2CCOCC2)N)NC3CC3	CJF	n4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
+Cc1c(c(on1)C)c2cc(c3c(c2Cl)C(=O)N(CC3)CC4=C(C=C(NC4=O)C)C)Cl	CJG	5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2h)-one
+CCOc1cccc(c1)c2ccc(cc2)NC(=O)/C(=C(/C)\O)/C#N	CJH	(2z)-2-cyano-n-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide
+c1cc(sc1c2ncc(c(n2)Nc3cc([nH]n3)C4CC4)Cl)S(=O)(=O)N	CJJ	5-{5-chloro-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide
+Cc1ccc(cc1)CNC(=O)Nc2cc(ccc2O)S(=O)(=O)N	CJK	1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
+c1c(nc(nc1N2CCN(CC2)C3COC3)N)NC4CC4	CJL	n4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
+CCn1cnc2c1nc(nc2NCc3[nH]c4ccc(c(c4n3)F)F)N5CCCC[C@H]5CCO	CJM	2-[(2s)-1-(6-{[(4,5-difluoro-1h-benzimidazol-2-yl)methyl]amino}-9-ethyl-9h-purin-2-yl)piperidin-2-yl]ethan-1-ol
+CC(C)n1ccc2c1c(ncn2)NC3CCC(CC3)N(C)C	CJN	~{n}4,~{n}4-dimethyl-~{n}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
+C[C@H]([C@@H](C1N[C@@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)N)O	CJO	[(2r,4r)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
+CS(=O)(=O)n1c2ccccc2c(c1c3ccc(cc3Cl)Cl)CN	CJP	1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1h-indol-3-yl]methanamine
+c1nc(c2c3c(sc2n1)CC[C@@H]3CC(=O)N)OC4CCC(CC4)N5CCOCC5	CJQ	2-[(3~{r})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide
+CNc1cc(nc(n1)N)N2CCN(CC2)C3COC3	CJR	n4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
+CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCC(CC4)C(=O)N	CJT	4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide
+CNc1cc(nc(n1)N)N2CCCCC2	CJU	n4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
+CN(C)CCCC(=O)N1CC(C1)S(=O)(=O)c2ccc(cc2)N3CC(C3)CN4CCC(CC4)[C@@](C#N)(c5cccc(c5)F)[C@H]6CCC[C@@H]6NC(=O)OC	CJV	methyl {(1s,2r)-2-[(s)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate
+c1cc(cc2c1cc(cc2)C(=O)O)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	CJW	6-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{h}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N	CJX	(2r,3s,4s,5r,6r)-2-(aminomethyl)-6-[(1r,2s,3s,4r,6s)-4,6-bis(azanyl)-3-[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol
+c1ccc2c(c1)cccc2OCCCc3c4ccccc4[nH]c3C(=O)O	CJY	3-{3-[(naphthalen-1-yl)oxy]propyl}-1h-indole-2-carboxylic acid
+c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl	CJZ	2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N	CK0	(2s,3r,4s,5s,6r)-2-[(1s,2s,3r,4s,6r)-3-[(2r,3r,4r,5s,6r)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
+c1cnc(nc1c2cc(sc2Cl)Cl)N	CK1	4-(2,5-dichlorothien-3-yl)pyrimidin-2-amine
+Cc1c(sc(n1)C)c2ccnc(n2)N	CK2	4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
+Cc1c(sc(n1)C)c2ccnc(n2)N\C=N/O	CK3	n-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n'-hydroxyimidoformamide
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)C(F)(F)F	CK4	4-(2,4-dimethyl-1,3-thiazol-5-yl)-n-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)O	CK5	3-[4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol
+Cc1c(sc(n1)NC)c2ccnc(n2)Nc3ccc(cc3)O	CK6	4-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol
+Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-]	CK7	[4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C	CK8	n-[4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-n',n'-dimethyl-benzene-1,4-diamine
+CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3O	CK9	2-{[(2-{[(1r)-1-(hydroxymethyl)propyl]amino}-9-isopropyl-9h-purin-6-yl)amino]methyl}phenol
+c1cc2c(cc1Cl)NC(=CC2=O)C(=O)O	CKA	7-chlorokynurenic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	CKB	1-beta-d-glucopyranosyl-5-methylpyrimidine-2,4(1h,3h)-dione
+CC(=O)[C@H](CCCCN)N	CKC	(3s)-3,7-diaminoheptan-2-one
+c1ccc(cc1)S(=O)(=O)N2CCNC[C@@H]2CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F	CKD	(s)-n-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
+CN1CCN(CC1)c2ccc(cc2)Cc3cc4cnc(nc4n3C5CCCCC5)CN	CKE	1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7h-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine
+c1c2c(nc(n1)N=C3C=CCC=C3)-c4c(c(nn4CC5CCNCC5)C(=O)N)CC2	CKG	8-(cyclohexa-2,5-dien-1-ylideneamino)-1-(piperidin-4-ylmethyl)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+Cc1c(c2ccccc2[nH]1)CCNC(=O)c3ccccc3F	CKH	2-fluoro-n-[2-(2-methyl-1h-indol-3-yl)ethyl]benzamide
+c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl	CKI	n-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
+CCCCNc1ncc2c(nn(c2n1)CC3CCC(CC3)N)c4ccc(cc4)F	CKJ	1-[(trans-4-aminocyclohexyl)methyl]-n-butyl-3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-6-amine
+c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3c4c(ccn4ncn3)CN5CCC(CC5)N)F	CKK	n-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide
+COc1c(ncnc1OC)NS(=O)(=O)c2ccc(cc2)NCC3=NC4=C(NC3)N=C(NC4=O)N	CKL	4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{h}-pteridin-6-yl)methylamino]-~{n}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
+C[C@@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F	CKM	n-(3-fluoro-2-{2-[(2s,6r)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
+C[C@H](CC(=O)N)c1ccn2c1c(ncn2)NC3CCC(CC3)N4CCN(CC4)C(=O)C	CKN	(3~{r})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide
+CN(C)C/C=C/C(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	CKO	e-4-(dimethylamino)-n-[3-[4-[[(1s)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide
+C([C@@H]1[C@H]([C@H]([C@@](O1)(C(=O)O)O)O)O)OP(=O)(O)O	CKP	6-o-phosphono-beta-d-psicofuranosonic acid
+c1cc(ccc1c2ccc(cc2)C(=O)O)c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	CKQ	4-[4-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{h}-1,2,4-triazol-3-yl]phenyl]benzoic acid
+c1c2c(cc3c1nc([nH]3)NCCN4CCOCC4)N=C(NC2=O)N	CKR	6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5	CKS	n-(3-fluoro-2-{2-[(2s,5r)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CS)/C(=O)O)O	CKT	cys-ketimine
+CCCN1C[C@@H]([C@H]([C@@H](C1)O)O)C(=O)O	CKU	(3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid
+C[C@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5	CKV	n-(3-fluoro-2-{2-[(2s,5s)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
+c1ccc(cc1)c2ccc(cc2)c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	CKW	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
+CCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O	CKX	(2~{s},3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid
+C[C@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F	CKY	n-(3-fluoro-2-{2-[(2s,6s)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
+c1ccc-2c(c1)Cc3c2ccc(c3)c4[nH]c(nn4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	CKZ	(2~{s},3~{r},4~{r},5~{s},6~{r})-2-[5-(9~{h}-fluoren-2-yl)-4~{h}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
+[Cl-]	CL	chloride ion
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@@H](C(=O)c8c7C)C(=O)OC)C)C=C)C	CL0	chlorophyll a isomer
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C	CL1	alpha chlorophyll a
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C	CL2	beta chlorophyll a
+CC(=O)N(C)c1cccc(c1)c2nnc3n2nc(cc3)c4ccccc4	CL3	n-methyl-n-[3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide
+c1c(cc(c(c1C(=O)NC\C=C\[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O)[N+](=O)[O-]	CL4	n-{3-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-allyl}-2,3-dihydroxy-5-nitro-benzamide
+C(CNCC(=O)O)C=O	CL5	n-(3-oxopropyl)glycine
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4	CL6	1-[(2-chlorophenyl)(diphenyl)methyl]-1h-imidazole
+CCC1=C(C2=Cc3c(c(c4n3[Mg]56N2C1=Cc7n5c8c(c7C)C(=O)[C@@H](C8=C9N6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C(=O)OC)C)C=O)C	CL7	chlorophyll d
+c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	CL8	chloramphenicol succinate
+c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)Cl)N	CL9	2-chloro-2'-deoxyadenosine
+CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C	CLA	chlorophyll a
+[B-]([C@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N	CLB	d-para-chlorophenyl-1-acetamidoboronic acid alanine
+CC(=O)N[C@H](CO)[C@@H](c1ccc(cc1)[N+](=O)[O-])O	CLC	n-acetyl-p-nitrophenylserinol
+[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N	CLD	d-para-chlorophenyl-1-acteamidoboronic acid alanine
+CC(C)C[C@@H](C(=O)N)N	CLE	leucine amide
+[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71	CLF	fe(8)-s(7) cluster
+C(CCNC(=O)CNC(=O)CON)C[C@@H](C(=O)O)N	CLG	2-amino-6-[2-(2-aminooxy-acetylamino)-acetylamino]-hexanoic acid
+C(CCNC(=O)CNC(=O)C=O)C[C@@H](C(=O)O)N	CLH	2-amino-6-[2-(2-oxo-acetylamino)-acetylamino]-hexanoic acid
+c1c(cc(c2c1[nH]c(c2CCC(=O)O)C(=O)O)Cl)Cl	CLI	3-(2-carboxy-ethyl)-4,6-dichloro-1h-indole-2-carboxylic acid
+Cc1c(c(c(c(c1I)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)OC)O)OC)OC)C(=O)S[C@@H]3[C@H](O[C@H](C[C@@H]3O)ON[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@H]5C#C/C=C\C#C[C@@]\6(CC(=O)C(=C5/C6=C\CSSSC)NC(=O)OC)O)C)C	CLJ	calicheamicin alpha3i
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N	CLK	alpha-n-dichloroacetyl-p-aminophenylserinol
+CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C	CLL	cholesteryl linoleate
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	CLM	chloramphenicol
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)[C@]9(C(C7=C2)C=CS9)C)C)CCC(=O)O	CLN	sulfur substituted protoporphyrin ix
+[Cl-]	CLO	chloro group
+[S]12[Fe]3[S]4[Fe]1S5([Fe]2[S]3[Fe]45)S67[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71	CLP	fe-s cluster
+CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl	CLQ	n4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	CLR	cholesterol
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3cccs3)SC1)C(=O)O	CLS	cephalothin
+c1ccc(cc1)CCCC(=O)O	CLT	4-phenyl-butanoic acid
+c1cc(c(c(c1)Cl)N=C2NCCN2)Cl	CLU	2,6-dichloro-n-imidazolidin-2-ylideneaniline
+C[C@@H](C1N=CC(=O)N1CC(=O)O)N	CLV	{(2s)-2-[(1s)-1-aminoethyl]-5-oxo-2,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc2c(cc1Cl)NC(=O)O2	CLW	chlorzoxazone
+C(=O)C(Cl)(Cl)Cl	CLX	tri-chloro-acetaldehyde
+CCC[C@@H]1C[C@H]([N@@](C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl	CLY	clindamycin
+c1cc2c(c(c1N)Cl(=O)=O)c(nc(n2)N)N	CLZ	5-chloryl-2,4,6-quinazolinetriamine
+CC(=O)O	CM	carboxymethyl group
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)OCC(=O)O	CM0	5-(carboxymethoxy) uridine-5'-monophosphate
+C[C@H]1CC(N[C@H]2CCCCN(C2=O)O[Fe@@]34Oc5ccccc5C6=N[C@@H](CO6)C(=O)N[C@@H](CCCCN(O3)C(O4)\C=C/CCCCCCC(=O)O)C(=O)O1)O	CM1	carboxymycobactin s
+c1ccc2c(c1)C3N[C@@H](CO3)C(=O)N[C@H]4CCCCN5C(O[Fe@](O2)(O5)ON6CCCC[C@@H](C6=O)NC(=O)CCOC4=O)\C=C/CCCCCCC(=O)O	CM2	carboxymycobactin t
+C[C@@H]1c2c(ccc(c2F)O)O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCCC5	CM3	(2r,3r,4s)-5-fluoro-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]chroman-6-ol
+C[C@@H]1c2cc(ccc2O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O	CM4	(2r,3r,4s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chroman-6-ol
+C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	CM5	5-cyclohexyl-1-pentyl-beta-d-maltoside
+c1ccc(cc1)[C@@H](C(=O)Nc2ccncc2)NS(=O)(=O)c3cccc4c3nsn4	CM6	(2s)-2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-n-pyridin-4-ylacetamide
+CCc1cn2c3c1cc(cc3[N@@](S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)C(F)(F)F)O	CM7	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1h-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
+CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O	CM8	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
+CC1CCC(CC1)C(=O)N[C@@H](CCSC)C(=O)Nc2ccncc2	CM9	cis-4-methyl-n-[(1s)-3-(methylsulfanyl)-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
+C(C[C@@H](C(=O)O)NCCC(=O)O)CNC(=N)N	CMA	n2-(carboxyethyl)-l-arginine
+Cc1cccc2c1cc(n2Cc3cccc(c3)C(=N)N)C(=O)NCc4cc(cc(c4)Cl)Cl	CMB	1-(3-carbamimidoylbenzyl)-n-(3,5-dichlorobenzyl)-4-methyl-1h-indole-2-carboxamide
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)O)O	CMC	carboxymethyl coenzyme *a
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[N@]6CCOC[C@@H]6C#N)O	CMD	3'-desamino-3'-(3-cyano-4-morpholinyl)-doxorubicin
+C(CSSC[C@@H](C(=O)O)N)O	CME	s,s-(2-hydroxyethyl)thiocysteine
+c1ccc(cc1)c2c(c3ccc(cc3n2CC(=O)N4CCOCC4)C(=O)O)C5CCCCC5	CMF	3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-1h-indole-6-carboxylic acid
+c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3	CMG	6-o-cyclohexylmethyl guanine
+C[Hg]SC[C@@H](C(=O)O)N	CMH	s-(methylmercury)-l-cysteine
+[H]/N=C(\c1cccc(c1)Cn2c3cccc(c3cc2C(=O)NCc4cc(cc(c4)C)C)C)/N	CMI	1-(3-carbamimidoyl-benzyl)-4-methyl-1h-indole-2-carboxylic acid 3,5-dimethyl-benzylamide
+CCCCCCCCCCCCCCCCCCCCCC[C@@H](C)CCCCCCCCCCCCCCCCCCC	CMJ	(20s)-20-methyldotetracontane
+C1[C@H]([C@H]([C@H](O[C@@]1(C(=O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)[C@@H](CO)O)O)O	CMK	cytidine 5'-monophosphate 3-deoxy-beta-d-gulo-oct-2-ulo-pyranosonic acid
+C([C@@H](C(=O)O)SC[C@@H](C(=O)O)N)C(=O)O	CML	(2s)-2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid
+[H]/N=C(/N)\N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)CCc3cccc4c3[nH]cc4C(=O)C(=O)O)C(=O)OC	CMM	2-[2-(1-carbamimidoyl-piperidin-3-yl)-acetylamino]-3-{4-[2-(3-oxalyl-1h-indol-7-yl)ethyl]-phenyl}-propionic acid methyl ester
+C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO	CMN	(1r,2r,3s,6r)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
+[C-]#[O+]	CMO	carbon monoxide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N	CMP	adenosine-3',5'-cyclic-monophosphate
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)[C@H](C)O)NC(=O)OCc2ccccc2	CMQ	n~2~-[(benzyloxy)carbonyl]-n-[(1s,2s)-2-hydroxy-1-(4-hydroxybenzyl)propyl]-l-leucinamide
+C[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O	CMR	2'-deoxy-cytidine-5'-rp-monomethylphosphonate
+CN(CC(=O)O)C(=O)N	CMS	carbamoyl sarcosine
+COC(=O)[C@H](CS)N	CMT	o-methylcysteine
+[H]/N=C\1/CCCN1CC2=C(C(=O)NC(=O)N2)Cl	CMU	5-chloro-6-(1-(2-iminopyrrolidinyl) methyl) uracil
+CCN1CCN(C(=O)C1=O)N[C@H](c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	CMV	(2r,4s)-2-[(1r)-1-({(2r)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2	CMW	3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)O)O	CMX	carboxymethyldethia coenzyme *a
+C(CCCNC(=O)O)CCN	CMY	(6-aminohexyl)carbamic acid
+Cc1ccc(c(c1)OC[C@H](CN2CCOCC2)O)C	CMZ	(2s)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
+C#N	CN	cyanide
+C1[C@@H]([C@H]([C@@H]([C@H](N1)C(=O)O)O)O)O	CN0	(2~{s},3~{r},4~{r},5~{s})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid
+O[Fe](O)(O)[O@]1O[Fe]1(O)(O)O[Fe](O)(O)(O)O	CN1	oxo-iron cluster 2
+COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3[C@H](CC2)NC(=O)CS)OC	CN2	2-mercapto-n-[1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl]acetamide
+CCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCCCCCCC	CN3	(2r,5s,11r,14r)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate
+c1cc(c(c(c1)F)CC[C@H]2CN[C@@H]3CCCS(=O)(=O)N2C3)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F	CN4	n-(2-{2-[(6r,9s)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
+CCCCCCCCCCCCCCC(=O)OCCCO[P@](=O)(O)OC[C@H](CO[P@](=O)(O)OCCCOC(=O)C)O	CN5	(5s,11r)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate
+CCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCC	CN6	(2r,5r,11s,14r)-2-(butanoyloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate
+Cc1ccccc1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CCN6CCOCC6	CN7	7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1h-indole-2-carboxylic acid
+CCNC(=O)[C@@H]1C[C@@H](CN1)NC(=O)[C@H](Cc2cn(nn2)CCNC(=O)c3ccc(cc3)S)NC	CN8	(4s)-n-ethyl-4-{[n-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)-l-alanyl]amino}-l-prolinamide
+Cc1c2c(ccn1)c3ccccc3[nH]2	CN9	1-methyl-9h-pyrido[3,4-b]indole
+c1cc(c[n+](c1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)N	CNA	carba-nicotinamide-adenine-dinucleotide
+O[Fe]1(O[Fe](O[Fe](O1)(O)(O)O)(O)(O)O)O	CNB	oxo-iron cluster 1
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5[C@]6([C@@]([C@@H](C7=[N]6[Co+2]89(N5C4=C(C1=[N]8C(=CC2=[N]9C(=C7C)[C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C([C@@H]1CCC(=O)N)(C)C)C)C#N)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O	CNC	cyanocobalamin
+c1c(c[nH+]cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	CND	5-beta-d-ribofuranosylnicotinamide adenine dinucleotide
+CCOc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2c(cccc2Cl)F)\C=C\C(=O)OC	CNE	(3s)-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-{[n-({2-ethoxy-5-[(1e)-3-methoxy-3-oxoprop-1-enyl]phenyl}acetyl)-d-valyl]amino}-4-oxopentanoic acid
+O[Fe]1(O[Fe]2([O@@]1[Fe](O2)(O)(O)(O)O)(O)O)(O)O	CNF	oxo-iron cluster 3
+C1CCCC(CCC1)NCC(=O)O	CNG	n-cyclooctylglycine
+CC(C)(C#N)O	CNH	2-hydroxy-2-methylpropanenitrile
+C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N	CNI	7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile
+c1ccc2c(c1)cccc2c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	CNK	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{h}-1,2,4-triazol-3-yl)oxane-3,4,5-triol
+CC1(C2CCC(O1)(CC2)C)C	CNL	1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
+CC(=O)N	CNM	acetamide
+C(#N)N	CNN	cyanamide
+CC(C)(C(=O)O)Oc1ccc(cc1)CC(=O)Nc2cccc(c2)NC(=O)Cc3ccc(cc3)OC(C)(C)C(=O)O	CNO	2-{4-[(3{2-[4-(1-carboxy-1-methyl-ethoxy)-phenyl]-acetylamino}-phenylcarbamoyl)-methyl]-phenoxy}-2-methyl-propionic acid
+CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(CC=C)C(=O)O)O	CNP	2-propenyl-n-acetyl-neuraminic acid
+c1cc(c2c(c1)ncc(n2)c3ccc(cc3)Cl)C(=O)N	CNQ	3-(4-chlorophenyl)quinoxaline-5-carboxamide
+C[C@@H](C(=O)O)Cl	CNR	(2s)-2-chloropropanoic acid
+CCCCCCCCCCCCCCCCOC(=O)CCCCCCC	CNS	hexadecyl octanoate
+CN[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O	CNT	n-methyl-meta-chloro-tyrosine
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N	CNU	5-cyano-uridine-5'-monophosphate
+CCC#N	CNV	propanenitrile
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N	CNW	7-diethylamino-2-oxo-chromene-3-carboxamide
+CCCCCCC#N	CNX	heptanenitrile
+C1[C@H]([C@@H]([C@@H]2[C@@H]([C@H]1N)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)NC[C@@H]4[C@H]([C@H]([C@@H](O4)O2)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)N	CNY	13,15-diamino-2-(aminomethyl)-3,4,9,12-tetrahydroxyhexadecahydro-2h-7,10-epoxypyrano[2,3-b][1,10,4]benzodioxazacyclododecin-8-yl 2,6-diamino-2,6-dideoxyhexopyranoside
+c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+]	CNZ	l-gamma-glutamyl-s-(2-biphenyl-4-yl-2-oxoethyl)-l-cysteinylglycine
+[Co+2]	CO	cobalt (ii) ion
+CN1/C(=C\c2ccccc2)/C(=O)Nc3ccccc3C1=O	CO0	(3~{z})-4-methyl-3-(phenylmethylidene)-1~{h}-1,4-benzodiazepine-2,5-dione
+C[C@H](CC[C@H]1C(O1)(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C	CO1	17-[3-(3,3-dimethyl-oxiranyl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyc lopenta[a]phenanthren-3-ol
+C(=O)=O	CO2	carbon dioxide
+C(=O)([O-])[O-]	CO3	carbonate ion
+Cc1c(cnc2c1c(nc(n2)N)N)C[N@@](C)c3cc(c(c(c3)OC)OC)OC	CO4	2,4-diamino-5-methyl-6-[(3,4,5-trimethoxy-n-methylanilino)methyl]pyrido[2,3-d]pyrimidine
+[OH2][Co+3]([OH2])([OH2])([OH2])[OH2]	CO5	cobalt ion,5 waters coordinated
+CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CO6	isobutyryl-coenzyme a
+C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O	CO7	s-{(9r,13r,15s)-17-[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2e)-but-2-enethioate
+CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CO8	octanoyl-coenzyme a
+C[C@@H](c1nc(co1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)N	CO9	1-({2-[(1s)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)-l-prolyl-l-tryptophan
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	COA	coenzyme a
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5=[N-]6C4=C(C7=[N]8[Co+2]69([N]1=C(C=C8C([C@@H]7CCC(=O)N)(C)C)[C@H]([C@](C1=C(C1=[N]9[C@@]5([C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C)C)(C)CC(=O)N)CCC(=O)N)C)C)CC(=O)N)C)O	COB	co-methylcobalamin
+C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC	COC	cocaine
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O	COD	dephospho coenzyme a
+C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	COE	furo[2,3d]pyrimidine antifolate
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)C(F)(F)F)O	COF	trifluoroacetonyl coenzyme a
+CN(Cc1cc(ccc1OC)OC)c2ccc3c(c2)c(nc(n3)N)N	COG	2,4-diamino-6-[n-(2',5'-dimethoxybenzyl)-n-methylamino]quinazoline
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O	COH	protoporphyrin ix containing co
+CC(C)CC(=O)C(=O)O	COI	2-oxo-4-methylpentanoic acid
+C/C/1=C/2\[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@](C(=N3)/C(=C\4/[C@@H](C(C(=N4)\C=C/5\[C@H]([C@](C1=N5)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O)/C)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O	COJ	hydrogenobyrinic acid
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCO)O	COK	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-4-{[3-({2-[(2-hydroxyethyl)dithio]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
+C1CSCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O	COL	2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]thiopyran-3-carboxylic acid
+C(CS(=O)(=O)O)S	COM	1-thioethanesulfonic acid
+[NH3][Co+3]([NH3])([NH3])[NH3]	CON	cobalt tetraammine ion
+CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	COO	crotonyl coenzyme a
+c1ccc(c(c1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N)C(=O)O	COP	n-(4-carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid
+CN(Cc1cc(cc(c1)OC)OC)c2cc3c(nc(nc3nc2)N)N	COQ	2,4-diamino-6-[n-(3',5'-dimethoxybenzyl)-n-methylamino]pyrido[2,3-d]pyrimidine
+c1ccc(cc1)C[C@@H](C([C@H](Cc2ccccc2)N)O)N	COR	2,4-diamino-1,5-diphenyl-3-hydroxypentane
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSS)O	COS	coenzyme a persulfide
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cccc5)O	COT	coa-s-acetyl tryptamine
+c1ccc2c(c1)C=CC(=O)O2	COU	coumarin
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@@H](CO4)CC(C)(C)O)C	COV	(1s,3r,5z,7e,14beta,17alpha)-17-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OCC1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4N)O	COW	anthraniloyl-coenzyme a
+Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N	COX	4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C7=C([C@H]8[C@@]([C@@H](C9=CC1C([C@@H](C2=C(C4[N-]5[Co+2](N12)(N89)(N76)CCCCCn1cnc2c1ncnc2N)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O	COY	co-(adenin-9-yl-pentyl)-cobalamin
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O	COZ	coenzyme a
+C(=O)(N)OP(=O)(O)O	CP	phosphoric acid mono(formamide)ester
+CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7	CP0	(4s)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate
+CNCCN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N	CP1	2-(methylamino)-ethylglycine-carbonylmethylene-cytosine
+C[C@@H](CCl)Cl	CP2	1,2-dichloro-propane
+Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)C)CCC(=O)O)CCC(=O)O)C)CCC(=O)O)C	CP3	coproporphyrinogen iii
+c1cc2c(cc1Cl)cc([nH]2)C(=O)NCCOCCOCCNC(=O)c3cc4cc(ccc4[nH]3)Cl	CP4	bis[5-chloro-1h-indol-2-yl-carbonyl-aminoethyl]-ethylene glycol
+c1ccc(cc1)/C(=C/OP(=O)=O)/C(=O)[O-]	CP5	(2z)-3-{[oxido(oxo)phosphino]oxy}-2-phenylacrylate
+CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl	CP6	5-(4-chloro-phenyl)-6-ethyl-pyrimidine-2,4-diamine
+CCc1c(c(nc(n1)N)N)c2ccccc2	CP7	6-ethyl-5-phenylpyrimidine-2,4-diamine
+C[N@@]1c2ccc(cc2CS1(=O)=O)[C@H]3CN(C(=O)CO3)Cc4ccccc4	CP8	2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl) ethyl-4-(4'-ethoxy [1,1'-biphenyl]-4-yl)-4-oxobutanoic acid
+Cc1nc2cnccc2n1c3ccc(cc3)CN4c5ccccc5SC4=O	CP9	3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)benzyl]-3h-benzothiazol-2-one
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)N)O)N	CPA	2'-deoxycytidine-2'-deoxyadenosine-3',5'-monophosphate
+C[N@]1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O	CPB	2-(2-chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-4-yl)-4h-benzopyran-4-one
+C[C@H]1C[C@]1(C(=O)O)NC	CPC	2-methyl-1-methylamino-cyclopropane carboxylic acid
+CCNC(=O)N(CCCN(C)C)[P@](=O)(Cc1ccc(cc1)NC(=O)C(F)(F)F)O[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(=O)C(Cl)Cl	CPD	[1-(3-dimethylamino-propyl)-3-ethyl-ureido]-[4-(2,2,2-trifluoro-acetylamino)-benzyl]phosphinic acid-2-(2,2-dihydro-acetylamino)-3-hydroxy-1-(4-nitrophenyl)-propyl ester
+c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4	CPF	1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	CPG	guanosine-5'-phosphate
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O)O	CPH	(1s)-5-deoxy-1-o-methyl-1-c-[(2r,3s)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-d-xylulose
+C1CCN[C@H](C1)C(=O)O	CPI	6-carboxypiperidine
+CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O	CPJ	bis-1,2-{[(z)-2-carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane
+CC1(OCC(CO1)OC(=O)N2CCN(CC2)C(=O)OC3COC(OC3)(C)C(=O)O)C(=O)O	CPK	bis-1,2-{[(z)-2carboxy-2-methyl-1,3-dioxane]-5-yloxycarbonyl}-piperazine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	CPL	1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine
+CS(=N)(=N)C[C@@H](Cc1ccccc1)C(=O)O	CPM	s-(2-carboxy-3-phenylpropyl)thiodiimine-s-methane
+C1=CN(C(=O)N=C1N)CC(=O)N(CC[NH3+])CC(=O)O	CPN	2-aminoethylglycine-carbonylmethylene-cytosine
+C/C/1=C\C2=O[Fe]345(O=C(N(O3)CCC[C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)C=C(C)CCO)O=C(N(O5)CCC[C@H](C(=O)OCC1)NC(=O)C)C=C(C)CCO	CPO	coprogen
+C[C@@H](CC1CC1)C=O	CPP	2-cyclopropylmethylenepropanal
+C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	CPQ	n,n-bis(3-d-gluconamidopropyl)deoxycholamide
+c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)Cl	CPR	6-chloropurine riboside, 5'-monophosphate
+C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	CPS	3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate
+[NH3][Pt]([NH3])(Cl)Cl	CPT	cisplatin
+c1ccc(cc1)CCCNC(=O)NC2CCCCC2	CPU	n-cyclohexyl-n'-(propyl)phenyl urea
+CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O	CPV	5-amino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid
+C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	CPW	(s)-2-amino-3-(1,3,5,7-pentahydro-2,4-dioxo-cyclopenta[e]pyrimidin-1-yl) proionic acid
+CC(C)[C@@H](C(=O)N1CC[C@@H]([C@H]1C2(CCC2)C=O)NC(=O)C3CC3)NC(=O)NC4CCCC4	CPX	n-[(2r,3s)-1-((2s)-2-{[(cyclopentylamino)carbonyl]amino}-3-methylbutanoyl)-2-(1-formyl-1-cyclobutyl)pyrrolidinyl]cyclopropanecarboxamide
+C1CCC(CC1)C[C@@H]([C@H](CN2C=CC=CC2=O)O)N	CPY	1-(3-amino-4-cyclohexyl-2-hydroxybutyl)pyridin-2(1h)-one
+c1cc(ccc1c2cnc[nH]2)Cl	CPZ	4-(4-chlorophenyl)imidazole
+Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4	CQ0	3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-n-cyclopropyl-4-methylbenzamide
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N=[N+]=[N-])/C(=O)N1CC(=O)O)N)O	CQ1	[(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N)/C(=O)N1CC(=O)O)N)O	CQ2	{(4z)-4-(4-aminobenzylidene)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)NC3CCOCC3)Cl	CQ3	n-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
+[O-][Cr](=O)(=O)[O-]	CQ4	chromate
+C[C@H](CC(=O)N1CCC(CC1)(CN2C=NC(=CC2=O)NCCN3CCCC3)O)c4ccccc4	CQ5	3-[[4-oxidanyl-1-[(3~{r})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one
+CCS(=O)(=O)N1CCc2cnc(nc2C1)NC3CCOCC3	CQ6	7-ethylsulfonyl-n-(oxan-4-yl)-6,8-dihydro-5h-pyrido[3,4-d]pyrimidin-2-amine
+Cc1nc2ccc(cc2o1)c3c[nH]c4c3c(nc(n4)Nc5ccc(cc5OC)C(=O)NC)OC6CCCC6	CQ7	4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-n-methylbenzamide
+CNC(=O)c1ccccc1Nc2cc(ncc2Cl)NC3CCOCC3	CQ8	2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-n-methyl-benzamide
+CN1C(=O)c2ccccc2NC(=O)[C@]13[C@@H](O3)c4ccccc4	CQ9	(3~{r},3'~{s})-4-methyl-3'-phenyl-spiro[1~{h}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
+CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl	CQA	4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol
+CC(C)C[C@@H](C(=O)O)NC(=O)O[C@@H](CCC(=O)O)C(=O)O	CQB	(2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid
+CC\1=NN(C(=O)/C1=C(/c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)\O)C	CQC	5-[(~{z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione
+c1cc2c(nc1)C(=O)C(=C(C2=O)Cl)NCCN3CCOCC3	CQD	6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione
+CC(=O)Nc1cc(ccn1)c2c(nc(s2)C3CCN(CC3)C4CC4)c5cccc(c5F)NS(=O)(=O)c6cc(ccc6F)F	CQE	n-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide
+Cc1nnc2n1-c3ccc(cc3[C@@H](CC2)Nc4ccc(cc4)Cl)c5cnn(c5)C	CQF	(6~{r})-~{n}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{h}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
+c1cnccc1O	CQG	pyridin-4-ol
+CCCc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)CC3=[S+]C(=O)N=C3[O-]	CQH	5-[[4-[[(2~{s})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCC	CQI	[(2~{s},3~{s},4~{s},5~{r},6~{s})-6-[(2~{s})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
+Cc1ccnc(c1)O	CQJ	4-methylpyridin-2-ol
+c1cnc(cc1c2n[nH]nn2)C(=O)NO	CQK	~{n}-oxidanyl-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
+c1cc2c(cc(c(c2nc1)O)I)Cl	CQL	5-chloro-7-iodoquinolin-8-ol
+C[C@](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(C(=O)O)O	CQM	citramalyl-coa
+CC(C)COC[C@@H](CN(Cc1ccccc1)c2ccccc2)N3CCCC3	CQN	bepridil
+COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN	CQO	3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine
+c1cc2cnccc2c(c1)S(=O)(=O)NC[C@@H]3C[C@H](CN3)OCc4ccc(cc4)Cl	CQP	(4r,2s)-5'-(4-(4-chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
+CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4	CQQ	4-{[4-(dimethylamino)butanoyl]amino}-n-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)O	CQR	[(4z)-2-(aminomethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1cc(ccc1CCNC(=O)Cn2cnc3c2ncnc3N)S(=O)(=O)N	CQS	2-(6-amino-9h-purin-9-yl)-n-[2-(4-sulfamoylphenyl)ethyl]acetamide
+c1cnc(cc1c2n[nH]nn2)C(=O)NCCCN3CCOCC3	CQT	~{n}-(3-morpholin-4-ylpropyl)-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
+Cc1[nH]c(nn1)c2ccccc2Nc3c4cc[nH]c4ncn3	CQU	n-[2-(5-methyl-4h-1,2,4-triazol-3-yl)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CCCCc1ccc(nc1)C(=O)O	CQV	5-butylpyridine-2-carboxylic acid
+c1c(c2c([nH]1)ncnc2[N@]3CCc4c(nc[nH]4)C3)Cl	CQW	5-(5-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine
+CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	CQX	(2s,3s,4s,5s,6r)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
+CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC4)[N+](=O)[O-]	CQY	(3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone
+c1cnc(cc1C(=O)O)NCCCO	CQZ	2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid
+[Cr+3]	CR	chromium ion
+CC(C)CC1=N[C@@](N(C1=O)CC=O)([C@H]([C@@H](C)O)N)O	CR0	[2-(1-amino-2-hydroxypropyl)-2-hydroxy-4-isobutyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl]acetaldehyde
+COC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	CR1	n-(methoxycarbonyl)-beta-d-glucopyranosylamine
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)O	CR2	{(4z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N	CR3	2-{5-[amino(iminio)methyl]-1h-indol-2-yl}-6-(cyclopentyloxy)benzenolate
+c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-]	CR4	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}benzenolate
+C(C(=O)O)[N+]1=C(C(=O)N[C@@]1(CN)O)O	CR5	(2r)-2-(aminomethyl)-2,4-dihydroxy-5-oxo-3-(2-oxoethyl)-2,5-dihydro-1h-imidazol-3-ium
+CC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N	CR6	1-deoxy-1-acetylamino-beta-d-gluco-2-heptulopyranosonamide
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CCCCN)N)CC(=O)O)O	CR7	[(4z)-2-[(1s)-1,5-diaminopentyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1c([nH]cn1)C[C@@H](c2nc(c(n2CC(=O)O)[O-])C=C3C=CC(=O)C=C3)N	CR8	2-[1-amino-2-(1h-imidazol-5-yl)ethyl]-1-(carboxymethyl)-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1h-imidazol-5-olate
+C[C@H]1CCCC[C@@H]1Oc2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)F	CR9	2-{5-[amino(iminio)methyl]-6-fluoro-1h-benzimidazol-2-yl}-6-[(2-methylcyclohexyl)oxy]benzenolate
+COC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N	CRA	1-deoxy-1-methoxycarbamido-beta-d-gluco-2-heptulopyranosonamide
+C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O	CRB	[1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid
+CCCCCCCCCC(=O)O	CRC	capric acid
+C\C=C\C=O	CRD	(2e)-but-2-enal
+CC1=CCCC(=CC[C@@H](CC1)C(=C)C)C	CRE	germacrene a
+C[C@H]([C@@H](C1=NC(=Cc2c[nH]c3c2cccc3)C(=O)N1CC(=O)O)N)O	CRF	[(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(1h-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C[C@H]([C@@H](C1=N/C(=C\c2c[nH]cn2)/C(=O)N1CC(=O)O)N)O	CRG	[2-(1-amino-2-hydroxy-propyl)-4-(3h-imidazol-4-ylmethylene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid
+Cc1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC	CRH	1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihyroxy-7-methylanthracene
+Cc1ccc(cc1)C(=O)Nc2cc(cc(c2)C(=O)N(C)C)c3ccc(cc3)C(=O)NO	CRI	5-(4-methyl-benzoylamino)-biphenyl-3,4'-dicarboxylic acid 3-dimethylamide-4'-hydroxyamide
+c1cc(ccc1[C@@H](C(F)(F)F)N[C@@H](CS(=O)(=O)C[C@@H]2CCC(=O)N2)C(=O)NC3(CC3)C#N)F	CRJ	n-(1-cyanocyclopropyl)-3-({[(2s)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)eth yl]-l-alaninamide
+CSCCC(=O)C1=N/C(=C/c2ccc(cc2)[O-])/C(=O)N1CC=O	CRK	4-{(z)-[2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4h-imidazol-4-ylidene]methyl}benzenolate
+C[Si](C)(C)C[C@@H](C(=O)NC1(CCS(=O)(=O)CC1)C#N)NC(=O)N2CCOCC2	CRL	n-{(1r)-2-[(4-cyano-1,1-dioxidotetrahydro-2h-thiopyran-4-yl)amino]-2-oxo-1-[(trimethylsilyl)methyl]ethyl}morpholine-4-carboxamide
+C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O	CRM	3-[8-((2s,3s,4r)-2,3,4,5-tetrahydroxypentyl)-2,4,7-trioxo-1,3,8-trihydropteridin-6-yl]propanoic acid
+CN(CC(=O)O)C(=N)N	CRN	n-[(e)-amino(imino)methyl]-n-methylglycine
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N)O	CRO	{2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl	CRP	((1rs,3sr)-2,2-dichloro-n-[(r)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)C(=N)CCC(=O)N)CC(=O)O)O	CRQ	[2-(3-carbamoyl-1-imino-propyl)-4-(4-hydroxy-benzylidene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid
+c1ccc2c(c1)c(c[nH]2)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5	CRR	3,4-di-1h-indol-3-yl-1h-pyrrole-2,5-dicarboxylic acid
+Cc1cccc(c1)O	CRS	m-cresol
+C/C(=C\C=C\C(=C\C=C\C(=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)\C)\C)/C=CCC(C)(C)OC	CRT	spirilloxanthin
+[H]/N=C(/CCC(=O)O)\C1=N/C(=C/c2ccc(cc2)O)/C(=O)N1CC(=O)O	CRU	4-[(4z)-1-(carboxymethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-2-yl]-4-iminobutanoic acid
+c1ccc(cc1)CS(=O)(=O)C[C@@H](C(=O)NC2(CC2)CN)N[C@@H](c3ccc(cc3)O)C(F)(F)F	CRV	n-[1-(aminomethyl)cyclopropyl]-3-(benzylsulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]-l-alaninamide
+C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N	CRW	[2-(1-aminoethyl)-4-methylene-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C[C@@H]([C@]1(NC(=C)C(=O)N1CC(=O)O)O)N	CRX	[2-(1-aminoethyl)-2-hydroxy-4-methylene-5-oxoimidazolidin-1-yl]acetic acid
+C(C(CO)O)O	CRY	propane-1,2,3-triol
+c1ccc2c(c1)c3ccccc3n2CCCC(=O)O	CRZ	4-(9h-carbazol-9-yl)butanoic acid
+[Cs+]	CS	cesium ion
+C(CSC[C@@H](C(=O)O)N)O	CS0	s-(2-hydroxyethyl)-l-cysteine
+c1ccc(c(c1)N)SSC[C@@H](C(=O)O)N	CS1	s-(2-anilinyl-sulfanyl)-cysteine
+C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O	CS2	d-mannonic acid
+c1cc(sc1)C(=O)CCSC[C@@H](C(=O)O)N	CS3	s-[3-oxo-3-(2-thienyl)propyl]-l-cysteine
+c1cc(c(cc1C(=O)CCSC[C@@H](C(=O)O)N)Cl)Cl	CS4	s-[3-(3,4-dichlorophenyl)-3-oxopropyl]-l-cysteine
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C	CS5	n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-methyl-n,n-dipropylisophthalamide
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)OCc4ccccc4)O)C	CS7	n'-[(1s,2r)-2-[(2r,4r)-4-(benzyloxy)pyrrolidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylisophthalamide
+CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CS8	3-thiaoctanoyl-coenzyme a
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)Oc4ccccc4)O)C	CS9	n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl}-5-methyl-n,n-dipropylisophthalamide
+CC(=O)CSC[C@@H](C(=O)O)N	CSA	s-acetonylcysteine
+C([C@@H](C(=O)O)N)S[Pb+]	CSB	cys bound to lead ion
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)[NH3+])SC1)C(=O)O	CSC	4-(3-acetoxymethyl-2-carboxy-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-7-ylcarbamoyl)-1-carboxy-butyl-ammonium
+C([C@@H](C(=O)O)N)[S@@](=O)O	CSD	3-sulfinoalanine
+C([C@@H](C(=O)O)N)[SeH]	CSE	selenocysteine
+CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O	CSF	cytidine-5'-monophosphate-3-fluoro-n-acetyl-neuraminic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N	CSG	2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)
+c1c(nc[nH]1)CC2C(=O)N(C(N2)[C@H](CO)N)CC(=O)O	CSH	[2-(2-hydroxy-1-methyl-ethyl)-4-(1h-imidazol-4-ylmethyl)-5-oxo-imidazolidin-1-yl]-acetic acid
+[H]/N=C\1/NCC[C@@H](N1)[C@@H](C(=O)O)NC(=O)O	CSI	amino-(2-imino-hexahydro-pyrimidin-4-yl)-acetic acid
+c1ccc(c(c1)C(=O)SC[C@@H](C(=O)O)N)N	CSJ	s-[(2-aminophenyl)carbonyl]-l-cysteine
+C[Se]SC[C@@H](C(=O)O)N	CSK	s-(methylselanyl)-l-cysteine
+C[Se][C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	CSL	(d)-2'-methylselenyl-2'-deoxycytidine-5'-phosphate
+COC[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	CSM	1-{2,5-anhydro-6-o-methyl-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione
+c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O	CSN	n,4-dihydroxy-n-oxo-3-(sulfooxy)benzenaminium
+C([C@@H](C(=O)O)N)SO	CSO	s-hydroxycysteine
+C([C@@H](C(=O)O)N)SP(=O)(O)O	CSP	s-phosphocysteine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[P@@](=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)S)O	CSQ	o-[(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] o-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (r)-phosphorothioate
+C([C@@H](C(=O)O)N)S[As](=O)(O)O	CSR	s-arsonocysteine
+C([C@@H](C(=O)O)N)SS	CSS	s-mercaptocysteine
+C([C@@H](C(=O)O)N)SS(=O)(=O)O	CSU	cysteine-s-sulfonic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[P@](=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)S)O	CSV	o-[(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] o-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (s)-phosphorothioate
+C([C@@H](C(=O)O)N)S(=O)O	CSW	cysteine-s-dioxide
+C([C@@H](C(=O)O)N)[S@H]=O	CSX	s-oxy cysteine
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O	CSY	[(4z)-2-[(1r)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C([C@@H](C(=O)O)N)S[SeH]	CSZ	s-selanyl cysteine
+c1csc(n1)NC(=O)C(=O)NC2CCCC2	CT0	n1-cyclopentyl-n2-(thiazol-2-yl)oxalamide
+CCCC[C@@H](C=O)NC(=O)O[C@H](Cc1ccccc1)C(C)C	CT1	(1r)-2-methyl-1-(phenylmethyl)propyl[(1s)-1-formylpentyl]carbamate
+CCCC[C@@H](C=O)NC(=O)OC1(CCCC1)Cc2ccccc2	CT2	1-(phenylmethyl)cyclopentyl[(1s)-1-formylpentyl]carbamate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	CT3	beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranose
+CN/C(=N\[N+](=O)[O-])/NCc1cnc(s1)Cl	CT4	1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
+CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccc4c(c3)OCCO4	CT5	4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1h-pyrazol-5-yl]-6-ethylbenzene-1,3-diol
+c1cc(cc(c1)Br)c2cc(n3c(n2)ccn3)NCc4ccncc4	CT6	(5z)-5-(3-bromocyclohexa-2,5-dien-1-ylidene)-n-(pyridin-4-ylmethyl)-1,5-dihydropyrazolo[1,5-a]pyrimidin-7-amine
+CS(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncc3)Cl	CT7	(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-(4-methanesulfonylphenyl)amine
+c1cc(cc(c1)Br)c2cc([n+]3c(n2)nc[nH]3)NCc4ccncc4	CT8	(5z)-5-(3-bromocyclohexa-2,5-dien-1-ylidene)-n-(pyridin-4-ylmethyl)-1,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CC(C)c1cnn2c1nc(cc2Nc3ccc(cc3)S(=O)(=O)N(C)C)NC4CCC(CC4)N	CT9	4-[5-(trans-4-aminocyclohexylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-7-ylamino]-n,n-dimethylbenzenesulfonamide
+c1ccc(cc1)C[C@@H]2C(=O)N[C@H](\C=C\C(=O)NC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)C(=O)N2)CCCNC(=N)N)NC=O)Cc4ccc(cc4)O	CTA	cyclotheonamide a
+B(CNC(=O)Cc1cccs1)(O)O	CTB	n-2-thiophen-2-yl-acetamide boronic acid
+C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O	CTC	7-chlorotetracycline
+C1=CN(C(=O)C=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	CTD	3-deazacytidine
+c1cc2c(c[nH]c2c(c1)Cl)C[C@@H](C(=O)O)N	CTE	7-chlorotryptophan
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2CC#N)OS(=O)(=O)N)OC	CTF	(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate
+C[C@]1([C@@H](N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O)O	CTG	(5r,6s)-5,6-dihydro-5,6-dihydroxythymidine-5'-monophosphate
+C([C@H]([C@@H](C(=O)O)N)O)Cl	CTH	4-chlorothreonine
+C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5	CTI	1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O	CTJ	1-({(2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2h-1,3-thiazin-5-yl}methyl)pyridinium
+CS(=O)(=O)NCCNc1cc(ccn1)C(=O)O	CTK	2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid
+c1ccc2c(c1)CC[C@@H]([C@@H]2O)N	CTL	cis-(1r,2s)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
+CCO[C@@H](Cc1ccc(cc1C)OCc2csc(n2)c3ccc(cc3)Cl)C(=O)O	CTM	(2s)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	CTN	4-amino-1-beta-d-ribofuranosyl-2(1h)-pyrimidinone
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)NC(=O)C)O	CTO	triacetylchitotriose
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O	CTP	cytidine-5'-triphosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	CTR	cellotriose
+C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O	CTS	castanospermine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O	CTT	beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranose
+C/C(=C\1/c2ccc(cc2COc3c1ccc(c3)F)Cc4c(nc5n4cccc5Cl)C6CC6)/C7=NOC(=O)N7	CTU	3-[(1~{e})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{h}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{h}-1,2,4-oxadiazol-5-one
+CC(=CCC/C(=C\C#N)/C)C	CTV	(2z)-3,7-dimethylocta-2,6-dienenitrile
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F	CTW	n-(4-fluorobenzoyl)-l-gamma-glutamyl-5-{[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-l-norvaline
+CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3	CTX	(z)-2-[4-(1,2)-diphenyl-1-butenyl)-phenoxy]-n,n-dimethylethanamine
+CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O	CTY	clarithromycin
+c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)O)c5ccc(cc5)O	CTZ	c2-hydroxy-coelenterazine
+[Cu+2]	CU	copper (ii) ion
+C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)O	CU0	[(2~{r},3~{s},4~{s})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
+[Cu+]	CU1	copper (i) ion
+[Cu+3]	CU3	copper (iii) ion
+CS(=O)(=O)c1ccc(cc1)c2c(cn(n2)c3ccc(cc3)C#N)C(=O)Nc4cccc(c4)F	CU4	1-(4-cyanophenyl)-n-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide
+COc1c(cc(c2c1O[C@@H](CC2=O)c3ccccc3)O)O	CU5	s-dihydrowogonin
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)([O])[O])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	CU6	[cuii(biot-et-dpea)]2+
+C([C@H](COP(=O)(O)OC[C@H](CO)O)O)O	CU7	(2r)-2,3-dihydroxypropyl (2s)-2,3-dihydroxypropyl hydrogen phosphate
+Cc1cccc(c1)c2ccnc3n2ncc3C(=O)N	CU8	7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+C[N+]1(CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5OC)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)OC)(C)C)OC)C	CU9	6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium
+[Cu][Cu]	CUA	dinuclear copper ion
+CCCCN([C@@]12O[Mo+4]1(=O)S2)[Cu+]	CUB	cu(i)-s-mo(iv)(=o)o-nbic cluster
+C1CCC(CC1)[C@@H](C(=O)O)N	CUC	cyclohexylglycyl 
+C1=CN(C(=O)N=C1N)C[C@H](C(=O)O)N	CUD	3-(4-amino-2-oxopyrimidin-1(2h)-yl)-d-alanine
+c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O	CUE	coumestrol
+c1cc2c(cc1OCCN3CCCCC3)O[Cu]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F	CUF	[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappao}(2-)]copper (ii)
+CO/N=C(\c1csc(n1)N)/C(=O)N[C@H]([C@@H]2NC(=C(CS2)CO)C(=O)O)C(=O)O	CUG	(2r)-2-[(s)-{[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1ccc(cc1)C(=O)c2ccc(c(c2O)O)O	CUH	2,3,4-trihydroxybenzophenone
+S1[Cu]S([Cu]1)([Cu])[Cu]	CUK	[4cu:2s] cluster
+Cl[Cu]Cl	CUL	copper (ii) chloride
+O[Mo+6](=O)S[Cu+]	CUM	cu(i)-s-mo(vi)(=o)oh cluster
+O[Mo+4](=O)S[Cu+]	CUN	cu(i)-s-mo(iv)(=o)oh cluster
+O1[Cu]O[Cu]1	CUO	cu2-o2 cluster
+c1ccc(cc1)C[C@H]2C(=O)O[Cu]3[N]2=Cc4ccccc4O3	CUP	(n-salicyliden-l-phenylalanato)-copper(ii)
+c1ccc(cc1)C(=O)c2ccc(c(c2)O)O	CUQ	[3,4-bis(oxidanyl)phenyl]-phenyl-methanone
+COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=C\c2ccc(c(c2)OC)O)/O	CUR	(1z,4z,6e)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one
+CC(C)C[C@H]1C(=O)O[Cu]2[N]1=Cc3ccccc3O2	CUS	(n-salicyliden-l-leucinato)-copper(ii)
+c1ccc(cc1)C(=O)c2ccc(cc2O)O	CUT	[2,4-bis(oxidanyl)phenyl]-phenyl-methanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)O)O)N	CUU	[(2~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
+S1[Fe][S]2[Fe]1S[Fe]2S[Fe][Ni]	CUV	fe(4)-ni(1)-s(4) cluster, oxidized
+C(C[C@H]([C@@H](C(=O)O)N)O)CN	CUW	(2~{s},3~{r})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid
+c1cc(ccc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4NCC=O)O)O)O)Cl	CUX	2-[[7-[(2~{r},3~{r},4~{s},5~{r})-5-[(~{r})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal
+CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC	CUY	tetracosyl octadecanoate
+S123[Cu]4[Cu]15[Cu]24[Cu]35	CUZ	(mu-4-sulfido)-tetra-nuclear copper ion
+CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Rh]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C)C	CV0	mesoporphyrin ix containing rh
+c1nc2c3c([n+]1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(OP(=O)(OC[C@@H]5[C@H]([C@H]([C@H](n2c(n3)Br)O5)O)O)O)O)O)O)N	CV1	(2r,3r,4s,5r,13r,14s,15r,16r)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide
+C=C(c1ccccc1)[C@@H](N)P(=O)(O)O	CV2	(s)-(1-amino-2phenylallyl)phosphonic acid
+CN1/C(=C\c2ccc(cc2)C(F)(F)F)/C(=O)Nc3ccccc3C1=O	CV3	(3~{z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{h}-1,4-benzodiazepine-2,5-dione
+CNS(=O)(=O)c1cccc(c1)Nc2cc(ncn2)Nc3ccc(cc3)C(F)(F)F	CV4	n-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide
+COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@@H](CC(=O)O)c5ccccc5)C3	CV5	(3~{s})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid
+CC(C)(CO)c1cc2cc(c(cc2n1CC(=O)CO)F)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F	CV6	tezacaftor
+C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O	CV7	desisobuytyryl ciclesonide
+C[C@@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC	CV8	2-[(~{e})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]ethanone
+C[C@H]1/C=C\C=C\C=C\[C@H](C[C@H]([C@H](c2nc(co2)/C=C\C=C\[C@@H]([C@@H](/C=C(/C=C\C=C\C=C/C(=O)O[C@H]1[C@@H](C)[C@H](C[C@H](C)O)O)\C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)OC)OC)C)OC)O	CV9	(2~{r},3~{r},5~{s},6~{e},8~{e},10~{z},12~{s},13~{r},16~{z},18~{e},20~{z},22~{e},24~{r},25~{s},26~{e},28~{z})-13-[(2~{s},3~{s},5~{s})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{r},3~{r},4~{s},5~{r},6~{r})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one
+COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)NCCO)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5	CVA	2-[(4-{5-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-n-(2-hydroxyethyl)acetamide
+B(c1ccc(cc1)\C=C\C(=O)O)(O)O	CVB	4-(carboxyvin-2-yl)phenylboronic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[V](O3)(O)O	CVC	[(1~{r},5~{r},6~{r},8~{r})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,3-bis(oxidanyl)-2,4,7-trioxa-3$l^{4}-vanadabicyclo[3.3.0]octan-8-yl]methyl dihydrogen phosphate
+COc1ccccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O	CVD	(2s)-1-(8h-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
+C[C@H](C(=O)N[C@@H](CC(=O)O)CO)N1C(=O)C(=CN(C1=O)C)NC(=O)c2ccc(cc2)Nc3cnc4ccccc4n3	CVE	(3~{s})-3-[[(2~{r})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid
+CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(=O)O	CVF	3-[4-(2-acetamidoethyl)phenyl]benzoic acid
+Cc1ccc(nn1)O	CVG	6-methylpyridazin-3-ol
+CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C	CVI	crystal violet
+CCC(=O)N[C@@H](C)c1ccc(cc1)NC(=O)[C@H]2C[C@@H]2c3cccnc3	CVJ	(1s,2s)-n-{4-[(1s)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
+CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4	CVK	4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{n}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline
+CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OCCCCOc3ccc(cc3)c4[nH]nnn4)OC)(C)C	CVL	5-[4-methoxy-3-[4-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one
+C1CCC(CC1)CCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	CVM	cymal-4
+c1cc(c2c(c1)ONC2=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F	CVN	4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one
+C1CNCCC1COC(=O)N2CCC(CC2)(CN)F	CVO	piperidin-4-ylmethyl 4-(aminomethyl)-4-fluoranyl-piperidine-1-carboxylate
+c1cc(cnc1)CNC(=O)Nc2ccc(cc2)CNC(=O)c3ccc(cc3)CN4CCNCC4	CVP	4-[(piperazin-1-yl)methyl]-n-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide
+COc1cnccc1Nc2c(cnc(n2)c3c4ccccc4n(n3)Cc5c(cc(cc5F)OCCO)F)OC	CVQ	2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol
+[H]/N=C/1\c2c3n(cn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(OC[C@H]5C[C@@H](N1C=N3)[C@@H]([C@@H]5O)O)O)O)O)O	CVR	cyclic adenosine 5'-diphosphocarbocyclic ribose
+COc1cc(cc(c1OC)OC)C(=O)N/N=C/c2cccc3c2cccc3	CVT	3,4,5-trimethoxy-~{n}-[(~{e})-naphthalen-1-ylmethylideneamino]benzamide
+C[C@@H]([C@H]([C@H](C(=O)CO)O)O)O	CVU	l-fuculose open form
+c1cc(cc(c1)I)C(=O)N[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(c6c5[C@]3([C@H]2O6)CCN4CC7CC7)O	CVV	n-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide
+Cc1ccc2c(c1)c(c[nH]2)CCN	CVW	2-(5-methyl-1~{h}-indol-3-yl)ethanamine
+CCCCO[P@@](=O)(C)O	CVX	o-butlylmethylphosphonic acid ester group
+CCN(CCCCCN1C(=CC(=O)N(C1=O)/C=C/CCCN(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-]	CVZ	3-[(~{e})-5-[ethyl-[(2-nitrophenyl)methyl]amino]pent-1-enyl]-1-[5-[ethyl-[(2-nitrophenyl)methyl]amino]pentyl]-6-methyl-pyrimidine-2,4-dione
+c1ccc(cc1)[C@@H]2C[C@H]2NCC3(CCN(CC3)C(=O)OCC4CCNCC4)F	CW0	piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{r},2~{s})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
+C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@@H](O4)COC)O[C@H](O5)C(O6)(C)CCOC=O)O)C(C)C)C)(COC)O	CW1	cotylenin a
+C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl	CW2	n,n'-(octane-1,8-diyl)bis(2,2-dichloroacetamide)
+CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C=C)C	CW4	(4r)-4-(5-ethenyl-1h-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1h-2-benzopyran-1-one
+C[C@@H](c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)C(=O)N4CCCC4)Cl)OC	CW5	1-[2-chloranyl-7-[(1~{s})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea
+CC(C)(c1ccc(cc1)O)c2ccc(c(c2)F)O	CW6	2-fluoranyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
+CC(C)C1=C2[C@H]([C@@H](C(=C)[C@@H]3CC[C@@]([C@H]3C[C@]2(CC1)C)(COC)O)O)O[C@@H]4[C@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O	CW7	cotylenin a
+CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C(F)F)C	CWA	(4r)-4-[5-(difluoromethyl)-1h-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1h-2-benzopyran-1-one
+Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C	CWB	1-methyl-n-[(1r,5s)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
+CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3	CWC	4-(dimethylamino)-n-[5-(1h-indol-4-yl)pyridin-3-yl]butanamide
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Cl	CWD	3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine
+c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O	CWE	r-naringenin
+C[C@@H](CCCCCCC(=O)O)N	CWF	(8s)-8-azanylnonanoic acid
+Cc1c(c(nnc1c2ccc(cc2)Cl)OC)C	CWG	3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine
+C[C@@H]1[C@H](O[C@@H]([C@H](C1=O)C)O)C[C@H](CC[C@H](C)CC[C@@H](CC[C@H](C)CCNC(=O)[C@H](C)O)O)OC(=O)C	CWH	[(2~{s},5~{r},8~{s},11~{s})-1-[(2~{r},3~{r},5~{r},6~{s})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimeth yl-8-oxidanyl-13-[[(2~{s})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate
+Cc1cc2cc(ccc2[nH]1)OC	CWJ	5-methoxy-2-methyl-1h-indole
+c1cc(ccc1C#N)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	CWK	3'-chloro-4'-(alpha-d-mannopyranosyloxy)biphenyl-4-carbonitrile
+C[C@H]([C@H](CCCCCC(=O)O)CC(=O)O)N	CWL	(3r)-3-[(1r)-1-azanylethyl]nonanedioic acid
+Cc1[nH]c2c(n1)cccc2O	CWM	2-methyl-1h-benzimidazol-7-ol
+Cc1c(ncs1)C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C	CWN	ntme polyamide
+[O][W]1234O[Co]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	CWO	 co(ii)-substituted wells-dawson
+Cc1ccc2c(n1)[nH]c(n2)NCc3cc(nn3C)C	CWP	n-[(1,3-dimethyl-1h-pyrazol-5-yl)methyl]-5-methyl-3h-imidazo[4,5-b]pyridin-2-amine
+C[NH+](C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5cccc(c5n4)O	CWQ	2-[[(3~{r})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium
+CC1=NCN(C1=O)CC(=O)O	CWR	(4-methyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl)acetic acid
+Cc1ccc2c(c1)c(ncn2)N	CWS	6-methylquinazolin-4-amine
+CC(C)NC1=N/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1C	CWT	(5z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one
+c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)O	CWU	5-[[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
+B(c1cccc(c1)c2ccc3c(c2)ccnc3N)(O)O	CWV	[3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid
+CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cc(cn3)Br	CWW	4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{n}-pyridin-3-yl-pyridine-3-carboxamide
+CNS(=O)(=O)c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	CWX	4'-(alpha-d-mannopyranosyloxy)-biphenyl-4-methyl sulfonamide
+COc1cccc(c1)C(=O)N[C@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N	CWY	(1s,2s,4s,5r,6s)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
+c1cc(cc(c1)c2cccc(c2)CN3CCc4c(scn4)C3)CNCCc5cccnc5	CWZ	n-[[3-[3-(6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridin-5-ylmethyl)phenyl]phenyl]methyl]-2-pyridin-3-yl-ethanamine
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N)N	CX0	[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
+CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)[C@H](Cc3c[nH]cn3)NC(=O)OCc4ccccc4	CX1	n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-l-tyrosine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(NCCS)O)O	CX2	2'-deoxy-5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}cytidine
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCC[N+]45CCN[Pt]4NCC5	CX3	[2-(3-{bis[2-(amino-kappan)ethyl]amino-kappan}propyl)-1h-benzo[de]isoquinoline-1,3(2h)-dionato(2-)]platinum(1+)
+c1cc2c(cc1Cl)ncnc2NCC3CC3	CX4	7-chloro-n-(cyclopropylmethyl)quinazolin-4-amine
+c1cc2c(cc1C(=O)N3CCCCC3)nccn2	CX5	piperidin-1-yl(quinoxalin-6-yl)methanone
+c1c2c(cc3c1OCCO3)O[C@@H]4CCCN4C2=O	CX6	2,3,6a,7,8,9-hexahydro-11h-[1,4]dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one
+C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O)C(C)C)C)(COC)O	CX7	cotylenol
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCN5[Pt]4NCC5	CX8	[2-{3-[(2-{[2-(amino-kappan)ethyl]amino-kappan}ethyl)amino-kappan]propyl}-1h-benzo[de]isoquinoline-1,3(2h)-dionato(3-)]platinum
+Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C	CX9	3,7-dimethyl-1-[3-(3-methyl-2,6-dioxo-9h-purin-1-yl)propyl]purine-2,6-dione
+c1ccc(cc1)C[C@@H](C(=O)O)NS(=O)(=O)N	CXA	phenylalanine-n-sulfonamide
+B(CNC(=O)/C(=N\OC)/c1csc(n1)N)(O)O	CXB	[(2-amino-alpha-methoxyimino-4-thiazolylacetyl)amino]methylboronic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)N	CXC	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1cc(c(c(c1CNC(=O)c2c(nc[nH]2)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl	CXD	4-chloranyl-n-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1h-imidazole-5-carboxamide
+CCCCCCCCCCOCCOCCOCCOCCOCCO	CXE	pentaethylene glycol monodecyl ether
+C1CCC(CC1)NC=O	CXF	cyclohexylformamide
+CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@@](CCC[N@](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O	CXG	methyl n-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
+c1cc(c(cc1NC(=O)CS)Cl)Cl	CXH	~{n}-(3,4-dichlorophenyl)-2-sulfanyl-ethanamide
+c1c(cc(cc1F)F)[C@@H](C(=O)O)O	CXJ	(2s)-(3,5-difluorophenyl)(hydroxy)acetic acid
+C1CCC(CC1)O	CXL	cyclohexanol
+CSCC[C@@H](C(=O)O)NC(=O)O	CXM	n-carboxymethionine
+Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O	CXN	cloxacillin
+C1CCC(=O)C(=O)C1	CXO	cyclohexane-1,2-dione
+C1CCC(CC1)CCC(=O)O	CXP	cyclohexane propionic acid
+CN1[C@@H]2CC[C@H]1CC(C2)OC(c3ccccc3)c4ccccc4	CXQ	benztropine
+[H]/N=C/1\c2c3n(cn2)C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(N1C=N3)O5)O)O)O)O)O)O	CXR	cyclic adenosine diphosphate-ribose
+C1CCC(CC1)NCCCS(=O)(=O)O	CXS	3-cyclohexyl-1-propylsulfonic acid
+CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@]3([C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(=O)O)C(=O)O)[C@H](C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O	CXT	carboxyatractyloside
+Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	CXU	cloxacillin (open form)
+Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	CXV	(2r,4s)-2-[(1s)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolid ine-4-carboxylic acid
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3O	CXW	2-({[2-({(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)ethyl]amino}methyl)phenol
+CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl	CXX	3-(3-chloro-5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine
+C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O)O)O	CXY	cytidine-5'-diphospho-beta-d-xylose
+c1cc2c(cc1NCCN3CCOCC3)c(no2)c4cc(c(cc4O)O)Cl	CXZ	4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol
+c1ccc(cc1)Nc2c3cc(ccc3ncn2)NC(=O)CCSC[C@@H](C(=O)O)N	CY0	s-{3-[(4-anilinoquinazolin-6-yl)amino]-3-oxopropyl}-l-cysteine
+CC(=O)NCSC[C@@H](C(=O)O)N	CY1	acetamidomethylcysteine
+C([C@@H](C(=O)N)N)S	CY3	2-amino-3-mercapto-propionamide
+CCCC(=O)SC[C@@H](C(=O)O)N	CY4	s-butyryl-cystein
+CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)c2cc(on2)C	CY6	n-((3s,6r)-6-((s,e)-4-ethoxycarbonyl-1-((s)-2-oxopyrrolidin-3-yl)but-3-en-2-ylcarbamoyl)-2,9-dimethyl-4-oxodec-8-en-3-yl)-5-methylisoxazole-3-carboxamide
+CCOc1cc2c(cc1NC(=O)C[C@@H](CN(C)C)SC[C@@H](C(=O)O)N)C(=Nc3ccc(c(c3)Cl)OCc4ccccn4)C(=CN2)C#N	CY7	s-{(1s)-3-{[(4z)-4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]imino}-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl]amino}-1-[(dimethylamino)methyl]-3-oxopropyl}-l-cysteine
+C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	CY8	cyclopamine
+C[C@H]1C\C=C\[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](\C=C\[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3Cc4ccccc4)C)O	CY9	(3s,3ar,4s,6s,6ar,7e,10s,12r,13e,15r,15ar)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1h-cycloundeca[d]isoindol-15-yl acetate
+O.O	CYA	two oxygen atoms bound to sg of cys
+CCC1=CC(=O)NC1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C	CYB	phycourobilin
+CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	CYC	phycocyanobilin
+C(CC(=O)CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	CYD	2-amino-6-(cystein-s-yl)-5-oxo-hexanoic acid
+Cn1cc2cc1C(=O)NCCCC(=O)NC3=C[NH+](C(=C3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)CCCN)C(=O)NCCCC(=O)Nc6cn(c(n6)C(=O)Nc7cc(n(c7)C)C(=O)N2)C)C	CYE	45-(3-aminopropyl)-5,11,22,28,34-pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,14,19,22,25,28,31,34,37,42,45,48-tetradecaaza-11-azoniaheptacyclo[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]dopentaconta-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaene
+c1cc(c(cc1NC(=O)CSC[C@@H](C(=O)N)N)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O	CYF	5-[2-(2-amino-2-carbamoyl-ethylsulfanyl)-acetylamino]-2-(3,6-dihydroxy-9,9a-dihydro-3h-xanthen-9-yl)-benzoic acid
+C(CC(=O)SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	CYG	2-amino-4-(amino-3-oxo-propylsulfanylcarbonyl)-butyric acid
+C1CCC(=O)CC1	CYH	cyclohexanone
+[C-]#[N+]C1CCCCC1	CYI	cyclohexyl isocyanide
+C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/CN1)CC(=O)O)CCC(=O)O	CYJ	(z)-n~6~-[(4r,5s)-5-(2-carboxyethyl)-4-(carboxymethyl)piperidin-3-ylidene]-l-lysine
+CCCCCC(=O)N[C@@H](CCS)C(=O)O	CYK	n-hexanoyl-l-homocysteine
+C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO	CYL	valienamine
+CSC[C@@H](C(=O)O)N	CYM	s-methylcysteine
+[C-]#N	CYN	cyanide ion
+O.O.O	CYO	oxygens bound to cys sg
+c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	CYP	9r,10r-9-glutathionyl-10-hydroxy-9,10-dihydro phenanthrene
+C([C@@H](C(=O)O)N)SCP(=O)(O)O	CYQ	2-amino-3-phosphonomethylsulfanyl-propionic acid
+C(C[C@@H](C(=O)O)N)CNC(=[NH2+])SC[C@@H](C(=O)O)N	CYR	n~5~-[{[(2r)-2-amino-2-carboxyethyl]sulfanyl}(iminio)methyl]-l-ornithinate
+C([C@@H](C(=O)O)N)S	CYS	cysteine
+C([C@@H](C(=O)[O-])[NH-])S	CYS_LEO2	l-cysteine c-terminal deprotonated fragment
+C([C@@H](C(=O)O)[NH-])S	CYS_LEO2H	l-cysteine c-terminal protonated fragment
+C([C@@H](C(=O)O)[NH-])[S-]	CYS_LEO2H_DHG	l-cysteine-c-terminal protonated fragment/with side chain deprotonated sg
+C([C@@H](C(=O)[O-])[NH-])[S-]	CYS_LEO2_DHG	l-cysteine-c-terminal deprotonated fragment/with side chain deprotonated sg
+C([C@@H](C(=O)O)N)S	CYS_LFOH	l-cysteine free neutral
+C([C@@H](C(=O)O)N)[S-]	CYS_LFOH_DHG	l-cysteine-free neutral/with side chain deprotonated sg
+C([C@@H](C(=O)[O-])[NH3+])S	CYS_LFZW	l-cysteine free zwitterion
+C([C@@H](C(=O)[O-])[NH3+])[S-]	CYS_LFZW_DHG	l-cysteine-free zwitterion/with side chain deprotonated sg
+C([C@@H]([C-]=O)[NH-])S	CYS_LL	l-cysteine - linking embedded fragment
+C([C@@H]([C-]=O)[NH-])[S-]	CYS_LL_DHG	l-cysteine-linking embedded fragment/with side chain deprotonated sg
+C([C@@H]([C-]=O)[NH3+])S	CYS_LSN3	l-cysteine n-terminal protonated fragment
+C([C@@H]([C-]=O)[NH3+])[S-]	CYS_LSN3_DHG	l-cysteine-n-terminal protonated fragment/with side chain deprotonated sg
+C1=C(NC(=O)N=C1)N	CYT	6-aminopyrimidin-2(1h)-one
+C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)\C=C(/C)\C(=C\C=C\C(=C/C#N)\C)\C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C\C=C\c3coc(n3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O	CYU	calyculin a
+CCOC(=O)CC[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C	CYV	ethyl (4r)-4-{[(2r,5s)-5-{[n-(tert-butoxycarbonyl)-l-seryl]amino}-6-methyl-2-(3-methylbut-2-en-1-yl)-4-oxoheptanoyl]amino}-5-[(3r)-2-oxopyrrolidin-3-yl]pentanoate
+C[C@H](C(=O)SC[C@@H](C(=O)O)N)O	CYW	s-[(2r)-2-hydroxypropanoyl]-l-cysteine
+C=C(CCP(=O)(O)O)C=O	CYX	(3-formyl-but-3-enyl)-phosphonic acid
+C1[C@H]([C@@H](C([C@@H]([C@H]1N)O)O)O)N	CYY	2-deoxystreptamine
+c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4	CYZ	cyclothiazide
+CC1=CC(=O)Oc2c1cc3ccc(c(c3c2)[N+](=O)[O-])O	CZ0	8-hydroxy-4-methyl-9-nitro-2h-benzo[g]chromen-2-one
+C([C@@H](C(=O)O)N)S[As](O)O	CZ2	s-(dihydroxyarsino)cysteine
+C[C@H]([C@@H](C(=O)N1CCC[C@H]1Cn2c(nnn2)Sc3ccccc3)NC(=O)[C@H](C)NC)OCC#CC#CCO[C@H](C)[C@@H](C(=O)N4CCC[C@H]4Cn5c(nnn5)Sc6ccccc6)NC(=O)[C@H](C)NC	CZ3	1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2s,3r)-2-[(n-methyl-l-alanyl)amino]-1-oxobutane-3,1-diyl}(2s)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1h-tetrazole]
+Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3ncc(c(n3)Nc4cn(nc4S(=O)(=O)C(C)C)C)Cl	CZ4	5-chloro-n~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-n~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1h-pyrazol-4-yl}pyrimidine-2,4-diamine
+CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cccn3	CZ5	6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{n}-pyridin-3-yl-pyridine-3-carboxamide
+B1(O[C@H](CC(O1)(C)C)C)CNC(=O)/C(=N\OC(C)(C)C(=O)O)/c2csc(n2)N	CZ6	2-[(~{z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{s})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid
+B(CNC(=O)[C@@H](c1ccc(cc1)O)NC(=O)N2C=CN(C(=O)C2=O)CC)(O)O	CZ7	({[(2r)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2h)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid
+B(CNC(=O)[C@@H](CCc1ccc(cc1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O	CZ8	({[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid
+B(CNC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O	CZ9	n-[(dihydroxyboranyl)methyl]-nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-d-tyrosinamide
+CC(=O)C1=C(N2[C@H](C1=O)[C@H]3c4c[nH]c5c4c(ccc5)C[C@H]3C2(C)C)O	CZA	(6ar,11as,11br)-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-11-one
+c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)Br)OO	CZB	(2s,8r)-8-benzyl-2-(4-bromobenzyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O	CZC	[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(oxidanylidene)-3~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
+[H]/N=C\CNC(=O)[C@@H]1Cc2ccc(c(c2)-c3cc(ccc3OCCN)[C@@H](C(=O)N[C@H](C(=O)N1)C)N(C)C(=O)[C@H](CCN)NC(=O)c4cnc(nc4C)c5ccc(cc5)C(C)(C)C)OCCN	CZD	(8s,11s,14s)-14-{[(2s)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-n-[(2z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide
+c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O	CZE	(2-{4-[(s)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O	CZF	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(oxidanylidene)-3~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3[nH]c4ccc(cc4n3)[N+](=O)[O-]	CZG	2-[(5-nitro-1h-benzimidazol-2-yl)sulfanyl]-n-(4-phenoxyphenyl)acetamide
+c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O	CZH	c2-hydroperoxy-coelenterazine
+c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)I)OO	CZI	(2r)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(4-iodobenzyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one
+Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)C34CC5CC(C3)CC(C5)C4)O[C@H]6[C@@H]([C@@H]([C@H](C(O6)(C)C)OC)OC(=O)N)O	CZJ	(3s,5s,7s)-n-{7-[(3-o-carbamoyl-6-deoxy-5-methyl-4-o-methyl-beta-d-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2h-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+COc1ccc(cc1OC2CCCC2)c3ccn(n3)C[C@H](CN4CCOCC4)O	CZK	(2~{s})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
+S1[Fe]234[S@H]5[Fe]2678[Fe]592[S@H]3[Fe]493(S26)S[Fe]3234[Fe]1156[Fe]722(S8)[S@@H]1[Fe]5([S@@H]63)S24	CZL	l-cluster (fe8s9)
+Cc1cccc(c1O)\C=N\c2ccccc2/N=C/c3cccc(c3O)C	CZM	'n,n'-bis-(2-hydroxy-3-methyl-benzylidene)-benzene-1,2-diamine'
+c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc6ccccc6c5)OO	CZN	(2s,8r)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(2-naphthylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one
+C[C@H]([C@@H]([C@]1(N[C@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)O)N)O	CZO	[(2r,4s)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
+c1cc(ccc1C[C@@]2(C(=O)N3C=C(NC(C3=N2)CC4CCCC4)c5ccc(cc5)O)OO)O	CZP	(8r)-8-(cyclopentylmethyl)-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h) -one
+C[C@@H]1CN(C[C@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC(F)F	CZQ	2-[(~{e})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{r},6~{r})-2,6-dimethylmorpholin-4-yl]ethanone
+c1cc2c(cc1Cl)sc(n2)C[C@@H](C(=O)O)N	CZS	3-(6-chloro-1,3-benzothiazol-2-yl)-l-alanine
+C[C@@H]1CN(C[C@@H](O1)C)C[C@H](CO/N=C/c2ccc(c(c2)OC3CCCC3)OC)O	CZT	(2~{r})-1-[(~{e})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]propan-2-ol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CNC2=O	CZU	[[(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{h}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1cc(ccc1C2(CC2)Nc3c4cn[nH]c4nc(n3)Cl)C(F)(F)F	CZV	6-chloro-n-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1cccc(c1C)[C@H](C)c2c[nH]cn2	CZX	4-[(1~{s})-1-(2,3-dimethylphenyl)ethyl]-1~{h}-imidazole
+C[C@H](c1ccc(cc1)C(F)(F)F)Nc2c3cnn(c3nc(n2)Cl)C	CZY	6-chloro-1-methyl-n-{(1r)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C([C@@H](C(=O)O)N)S[As]O	CZZ	thiarsahydroxy-cysteine
+CCNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	D00	2'-deoxy-n-ethylcytidine 5'-(dihydrogen phosphate)
+c1cc2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl)[n+](c1)[O-]	D01	2-({4-[(5-chloro-1h-indol-2-yl)sulfonyl]piperazin-1-yl}carbonyl)thieno[3,2-b]pyridine 4-oxide
+COC(=O)c1cn(nn1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F	D02	methyl 1-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)-1h-1,2,3-triazole-4-carboxylate
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](C(=O)NCc3ccccc3)O)NC(=O)/C=C/c4ccccc4	D03	(s)-n-benzyl-3-((s)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((s)-2-oxopyrrolidin-3-yl)butanamide
+c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C3CCCCC3	D04	4-(4-cyclohexyl-1h-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide
+CCc1c2c(n(n1)c3c(cc(cc3Cl)Cl)Cl)N=C(NC2=O)Cc4ccc(c(c4)O)O	D05	6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4(5h)-one
+CNc1c2cnn(c2nc(n1)Cl)C	D07	6-chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+COc1ccc(cc1OC2CCCC2)C3=NO[C@H](C3)CC(=O)N(CCO)CCO	D08	2-[(5~{r})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{n},~{n}-bis(2-hydroxyethyl)ethanamide
+C/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D09	5-[(1e)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+c1cc(nc(c1)C(F)(F)F)c2nc3c(cc[nH]3)c(n2)Nc4ccncc4F	D0A	n-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+C[C@@H]1CN(C[C@H](O1)C)C(=O)CCn2ccc(n2)c3ccc(c(c3)OC4CCCC4)OC	D0B	3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{r},6~{r})-2,6-dimethylmorpholin-4-yl]propan-1-one
+c1cc(ccc1C[C@H](C(=O)O)N)Cl	D0C	4-chloro-d-phenylalanine
+COc1ccc(cc1OC2CCCC2)c3ccn(n3)CCC(=O)N4CCOCC4	D0E	3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3	D0F	(2s)-2-[[(2s)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
+CC[C@H](C)CCCCCCCCCCCCC(=O)O	D0G	(14s)-14-methylhexadecanoic acid
+CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccc(c2)C)Nc3cccc(c3)C	D0H	6-(ethylcarbamoylamino)-~{n}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide
+COCc1cn(nn1)CCCCCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	D0J	(2r,3r,4r,5s)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1h-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol
+CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)Nc3ccc(cc3)OC	D0K	6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{n}-pyridin-3-yl-pyridine-3-carboxamide
+CCCCCCCN1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O	D0L	(2s)-2-[[(2s)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
+CCC(CC)N	D0M	pentan-3-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2F)O)O)CO)O)O)O)O	D0N	(2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(2~{r},3~{r},4~{r},5~{s},6~{s})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan-  3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)C)C)C	D0O	(4~{r})-4-[(3~{r},5~{r},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoic acid
+c1cc(c(cc1c2ccc(cc2F)F)NC(=O)CS)O	D0P	n-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide
+Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N	D0Q	5-methyl-l-tryptophan
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)N)O	D0R	n-[(2s,4s,5s)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-valinamide
+CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)N2CC(C2)O)c3cnn4c3nc(cc4)c5cccs5	D0S	n-[(2s)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide
+CN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	D0T	(2s)-2-(3-hydroxy-3-oxopropyl)-6-[[methyl-[[2-[(phenylmethyl)carbamoyl]phenyl]methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1cc(c(cc1N)S)C(=O)O	D0U	4-azanyl-2-sulfanyl-benzoic acid
+c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)O)Cl	D0V	(2r)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one
+CC(=O)N[C@@H](CC(=O)O)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O	D0W	sampatrilat-asp
+CC(C)C12=C3[Ru]1456(C2=C4C5(=C63)C)([P]78CN9CN(C7)CN(C9)C8)(Cl)Cl	D0X	[ru(eta(6)-p-cymene)cl-2(pta)
+c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3cccc(c3)Nc4ccc(cc4)F)c5ccsc5)O)Cl	D0Y	(6r)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one
+CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O	D0Z	sampatrilat
+CCCCCCCCCC	D10	decane
+C[C@@H]([C@H](C(=O)O)N)OP(=O)(O)O	D11	d-phosphothreonine
+CCCCCCCCCCCC	D12	dodecane
+C[S@@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)I	D13	4-[5-(3-iodo-phenyl)-2-(4-methanesulfinyl-phenyl)-1h-imidazol-4-yl]-pyridine
+C[N@@]1Cc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4cc5ccc(cc5cn4)Cl)C(=O)N(C)C)C1	D14	7-chloro-n-[(1s,2r,4s)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4h-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide
+c1ccc(cc1)C(=O)Nc2c3cc(ccc3[nH]n2)NC(=O)[C@@H](CCN)c4cccc(c4)Cl	D15	n-(5-{[(2s)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1h-indazol-3-yl)benzamide
+CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	D16	tomudex
+c1cc(cc(c1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNc2ccc(cc2)\C=C/3\C(=O)NC(=S)S3	D17	n-({3-[({4-[(z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-l-glutamic acid
+CC(C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(C)C)N	D18	2,5-bis{[4-(n-isopropyl)diaminomethyl]phenyl}furan
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CC4)C(N)NC5CC5	D19	2,5-bis{[4-(n-cyclopropyldiaminomethyl)phenyl]}furan
+[H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-]	D1A	n-[4-[(e)-n-carbamimidamido-c-methyl-carbonimidoyl]phenyl]-7-nitro-1h-indole-2-carboxamide
+[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)C(=N)N)\N	D1B	2-(5-{4-[amino(imino)methyl]phenyl}-2-thienyl)-1h-benzimidazole-6- carboximidamide dihydrochloride
+c1cc(ccc1CNS(=O)(=O)NC[C@@H](Cc2cc(c(cc2F)F)F)N)S(=O)(=O)N	D1C	4-[({[(2r)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide
+C1[C@H]([C@@H](CSS1)O)O	D1D	(4s,5s)-1,2-dithiane-4,5-diol
+CCCCCC#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	D1F	1-(beta-d-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
+CN(C)Cc1ccc(o1)c2cccnc2	D1G	n,n-dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine
+Cn1cnc2c1C(=O)N(C(=O)N2C)CCN3C(=O)c4c(ncn4C)N(C3=O)C	D1H	1,1'-ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione)
+CCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	D1I	3-(beta-d-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3h)-one
+CCCC#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	D1J	1-(beta-d-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
+CCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	D1K	3-(beta-d-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3h)-one
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl	D1L	2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid
+C#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	D1M	5-ethynyl-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)ccc(c2O)O	D1N	naphthalene-1,2-diol
+C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O	D1P	2'-deoxy-ribofuranose-5'-phosphate
+CC(C)[N@@]1CCc2c(sc(n2)C(=O)Nc3cc(ccc3CCC(=O)Nc4ccc(cc4)Cl)C(=O)O)C1	D1Q	4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid
+CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)c4ccccc4	D1R	nalpha-[(4-methylpiperazin-1-yl)carbonyl]-n-{(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-l-phenylalaninamide
+C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC	D1S	(4e,6z,8s,9s,10e,12s,13r,14s,16r)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
+CCCCCCCCCCS	D1T	decane-1-thiol
+CC1(Cc2c(c(nn2c3ccc(c(c3)NCCSC)C(=O)N)C(F)(F)F)C(=O)C1)C	D1U	4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]-2-{[2-(methylsulfanyl)ethyl]amino}benzamide
+c1ccc2c(c1)C(=O)NC(=N2)S	D1V	2-mercapto(3h)quinazolinone
+CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4	D1W	6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{n}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine
+C1C(=CC(=O)NC1=O)C(=O)O	D1X	2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid
+c1cc(c(cc1O)Cl)C(=O)C=C(C(=O)O)O	D1Y	(2z)-4-(2-chloro-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+CN(C)Cc1cccc(c1)Nc2ccc(nc2OC)c3cccc4c3O[C@@H](CO4)CNC(=O)C5CCOCC5	D1Z	~{n}-[[(3~{r})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide
+COCCNC(=N)NCCC[C@@H](C(=O)O)N	D20	n~5~-{imino[(2-methoxyethyl)amino]methyl}-l-ornithine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC	D21	(2r)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9z)-octadec-9-enoate
+CCCCCCCCNCCCCCCCC	D22	n-octyloctan-1-amine
+CC(C)(C)Nc1c2cc(ccc2nc(n1)C(F)(F)F)c3cccc(c3)N	D23	6-(3-aminophenyl)-n-(tert-butyl)-2-(trifluoromethyl)quinazolin-4-amine
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4C=CC=C4)C(N)NC5C=CC=C5	D24	2,5-bis-[4-[cyclopenta-1,3-dien-5-ylamino-1-aminomethyl]-phen-1-yl]furan
+c1ccc(cc1)c2cc(on2)c3cc[nH]n3	D25	3-phenyl-5-(1h-pyrazol-3-yl)isoxazole
+c1ccc(cc1)c2ncc(s2)c3cc[nH]n3	D26	phenyl-5-(1h-pyrazol-3-yl)-1,3-thiazole
+COc1ccc(cc1OC)\C=C\C(=O)Nc2ccccc2C(=O)O	D27	2-{[(2e)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid
+Cc1cc(ccc1F)c2csc(n2)Nc3ccc(c(c3)O)C(=O)O	D28	4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
+c1c(cc(cc1C(F)(F)F)S(=O)/C=C/CC/N=C\S)C(F)(F)F	D29	(z)-{[(3e)-4-{(r)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol
+[H]/N=C(\c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)C(=N)N)/N	D2A	2-(4'-amidinobiphenyl-4-yl)-1h-benzimidazole-5-amidine
+CC(C)/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D2B	5-[(1z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(C3C([C@@H]2C(=O)C(C1=O)C(=O)N)O)O)O)Cl)O	D2C	(2s,4s,4ar,5as,6s,11r,11as,12r,12ar)-7-chloro-4-(dimethylamino)-6,10,11,12-tetrahydroxy-1,3-dioxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracene-2-carboxamide
+CC(C)C/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D2D	5-[(1e)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+COc1ccccc1/C(=C/c2coc3c2c(nc(n3)N)N)/C4CC4	D2E	5-[(e)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine
+CCCC/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D2F	5-[(1e)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+CNCc1ccc(o1)c2cccnc2	D2G	n-methyl(5-(pyridin-3-yl)furan-2-yl)methanamine
+CC[C@@H](C)/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D2H	5-[(1e,3r)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCCCCC(=O)O	D2J	6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoic acid
+CCOC(=O)CCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC	D2K	ethyl 4-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}butanoate
+CCC[C@H](CC)C[C@H]1C[C@H](C[C@H](N1CC=O)C)CCS(=O)(=O)O[C@H](CC)CC[C@H](C)CC	D2L	[(3r,6r)-6-methyloctan-3-yl] 2-[(2s,4s,6r)-2-[(2s)-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate
+COc1cccc(c1Oc2cc(c(c(c2)OC)O)OC)OC	D2M	4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol
+CCOC(=O)CCCCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC	D2N	ethyl 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoate
+Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCc4ccccc4	D2O	6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
+C([C@@H](CCl)Cl)O	D2P	(2s)-2,3-dichloropropan-1-ol
+CCOC(=O)CCCCOc1ccc(cc1Cc2cnc3c(c2C)c(nc(n3)N)N)OC	D2Q	ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate
+Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3C#CCCCC(=O)O)OC	D2R	6-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl}hex-5-ynoic acid
+c1cc(c(cc1O)O)SSc2ccc(cc2O)O	D2S	4,4'-disulfanediyldibenzene-1,3-diol
+CS[C@H]([C@@H](C(=O)O)N)C(=O)O	D2T	(3r)-3-(methylsulfanyl)-l-aspartic acid
+Cc1cc(cc(c1)C(=O)N(C)[C@H](Cc2ccc(cc2)c3ccccc3)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C	D2U	(2~{s})-2-[[(2~{r})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{h}-indol-3-yl)propanoic acid
+CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C	D2V	(3s,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraen-3-ol
+CN(C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3cccc(c3O2)c4cccc(n4)OC	D2W	4-[2-(dimethylamino)ethoxy]-~{n}-[[(3~{r})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
+Cc1c(sc[n+]1Cc2cnc(nc2O)C)CCO[P@@](=O)(O)OP(=O)(O)O	D2X	3-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC)CO)O	D2Y	methyl 2-acetamido-4-o-{2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl}-2-deoxy-beta-d-glucopyranoside
+C[NH+](C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3ccccc3O2	D2Z	2-[4-[[(3~{r})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium
+c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	D3	1-(2-deoxy-beta-d-ribofuranosyl)-4-(3-benzamido)phenylimidazole
+CCC#CCOc1cc(ccc1Sc2ccc(c3c2CCCC3)OCC(=O)O)COc4ccc(cc4)C(F)(F)F	D30	[(4-{[2-(pent-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid
+c1cc-2c(c(c1)NC(=O)CN3CCC(CC3)CN)C(=O)c4c2n[nH]c4C5CCCCC5	D31	2-(4-(aminomethyl)piperidin-1-yl)-n-(3_cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)acetamide
+Cc1c(c(ccc1OCC(=O)O)Sc2ccc(cc2OCC#C)COc3ccc(cc3)C(F)(F)F)C	D32	(2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid
+c1cn(cn1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	D33	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazole
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CCC4)C(N)NC5CCC5	D34	2,5-bis{[4-(n-cyclobutyldiaminomethyl)phenyl]}furan
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CCCCC4)C(N)NC5CCCCC5	D35	2,5-bis{[4-(n-cyclohexyldiaminomethyl)phenyl]}furan
+CS(=O)(=O)N(CCN)c1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4	D36	n-(2-aminoethyl)-n-{5-[(1-cycloheptyl-1h-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide
+CS(=O)(=O)Nc1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4	D37	n-{5-[(1-cycloheptyl-1h-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide
+CC(C)[C@H](Cc1cn(nn1)Cc2ccc(cc2)C(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O	D38	n~2~-[(2s)-2-{[1-(4-carboxybenzyl)-1h-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-l-lysine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC	D39	(2~{s})-2-azanyl-3-[[(2~{r})-3-hexadecanoyloxy-2-[(~{z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid
+COc1cccc(c1OC)[C@@H]2c3cc(ccc3-n4cccc4[C@H](O2)CC(=O)N5CCC(CC5)CC(=O)O)Cl	D3A	(1-{[(4r,6s)-8-chloro-6-(2,3-dimethoxyphenyl)-4h,6h-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid
+Cc1ccc(c(c1)NC(=O)Nc2cc(ccc2O)S(=O)(=O)N)C	D3B	1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
+c1cc(n2c1CN(CC2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F	D3C	n-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1h)-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC/C=C/CCCCCCCC	D3D	(19s,22r,25r)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9e)-octadec-9-enoate
+C[C@](c1ccc(cc1)C(=O)N(C2CCC(CC2)c3cccnc3)C4CC4)(C(F)(F)F)O	D3E	n-cyclopropyl-n-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
+Cc1cc(c(cc1Cl)Cl)S(=O)(=O)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]	D3F	2-[(2,4-dichloro-5-methylphenyl)sulfonyl]-1,3-dinitro-5-(trifluoromethyl)benzene
+c1cc(cnc1)c2ccc(o2)CN	D3G	(5-(pyridin-3-yl)furan-2-yl)methanamine
+c1cc(ccc1N)NC(=O)CN	D3H	~{n}-(4-aminophenyl)-2-azanyl-ethanamide
+c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccsc3)c4cccc(n4)Oc5ccc(cc5)F)O)Cl	D3J	(2r)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one
+COCCOc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3	D3K	(2~{r})-2-[(~{r})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine
+COc1ccc2c(c1)cc([nH]2)C(=O)c3ccccc3	D3L	(5-methoxy-1h-indol-2-yl)-phenyl-methanone
+COc1c(ccc(c1C(=O)O)Cl)Cl	D3M	3,6-dichloro-2-methoxybenzoic acid
+c1cc2cccc3c2c(c1)NC(=O)N3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	D3N	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-perimidin-2(3h)-one
+[2H][O+]([2H])[2H]	D3O	trideuteriooxidanium
+c1c(cc(cc1O)O)[C@H](C(=O)O)N	D3P	(2r)-amino(3,5-dihydroxyphenyl)acetic acid
+COc1cccc(c1)[C@@H](c2ccccc2)[C@H]3CCCN3	D3Q	(2~{r})-2-[(~{r})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine
+CC(C)(C)OC(=O)N1CC[C@]2([C@H]1c3cccc(c3)c4ccc(c(c4)S(=O)(=O)C)CO)c5ccccc5NC2=O	D3R	~{tert}-butyl (2'~{r},3~{r})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate
+c1ccc(cc1)[C@@]2(CC(=C(C(=O)O2)Sc3ccccc3Cl)O)c4ccccc4O	D3S	(6s)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2h-pyran-2-one
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	D3T	2',3'-dideoxy-thymidine-5'-triphosphate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34N2C=C[C@H]4c5ccccc5)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O	D3U	2-pcpa derivative
+CC(C)CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O	D3V	 1a,20s-dihydroxyvitamin d3
+COc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3	D3W	(2~{r})-2-[(~{r})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine
+COc1ccc(cc1)S(=O)(=O)N(CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC(=O)NO	D3X	n-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}ethyl)amino}acetamide
+c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O	D3Y	3'-deoxy-3'-(d-tyrosylamino)adenosine
+C[C@H]1[C@H]([C@@H]([C@H](O1)N2C=CC(=O)NC2=O)O)O	D3Z	1-(5-deoxy-beta-l-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione
+CC(C)(C)OC(=O)N1CC[C@@]2([C@@H]1c3ccccc3)c4ccccc4NC2=O	D40	~{tert}-butyl (2'~{s},3~{s})-2-oxidanylidene-2'-phenyl-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate
+CC(C)(C)c1nc(c2cc(c(nc2n1)N)C(=O)N)c3ccc[nH]3	D41	7-amino-2-tert-butyl-4-(1h-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
+Cc1c(sc(n1)C)c2c3c(n[nH]2)-c4cccc(c4C3=O)NC(=O)NN5CCN(CC5)C	D42	1-(3-(2,4-dimethylthiazol-5-yl)-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea
+CC(C)[C@H]1[C@]2(CCN1C(=O)OC(C)(C)C)c3ccccc3NC2=O	D43	~{tert}-butyl (2'~{s},3~{s})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate
+CCc1ccccc1NC(=O)CSc2[nH]c3c(n2)cccn3	D44	n-(2-ethylphenyl)-2-(3h-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
+CN1CNS(=O)(=O)c2c1cc(cc2)CCc3ccc4c(c3)N(CNS4(=O)=O)C	D45	6,6'-(ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide)
+C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3CNC(=O)c4ccc(s4)Cl)C1	D46	n-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
+c1ccc(c(c1)S[C@H]2C(=O)C[C@](NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)Cl	D47	(3s,6s)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione
+c1ccc2cc(c(cc2c1)O)O	D48	naphthalene-2,3-diol
+c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)O)OCC[C@H](COc4ccc(cc4)c5[nH]c6ccc(cc6n5)C(=O)O)O	D49	2-[4-[(2~{r})-4-[4-(6-carboxy-1~{h}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{h}-benzimidazole-5-carboxylic acid
+c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)O)Cl	D4A	(6r)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	D4B	[(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)OP(=O)(O)O	D4D	2',3'-dehydro-2',3'-deoxy-thymidine 5'-diphosphate
+c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	D4F	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4s)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
+c1cnccc1SSc2ccncc2	D4G	4,4'-dipyridyl disulfide
+Cc1cccc(c1)[C@H](c2ccccc2)[C@H]3CCCN3	D4H	(2~{r})-2-[(~{s})-(3-methylphenyl)-phenyl-methyl]pyrrolidine
+CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@@H]([C@@H](O[C@H]5[C@H]4O[C@@](OC5)(C)C(=O)O)OC)NC(=O)C)CO)O	D4I	methyl 2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-d-glucopyranosyl-(1->3)-2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranoside
+c1ccc(c(c1)SC2=C(C[C@](NC2=O)(c3ccsc3)c4cccc(n4)Oc5ccc(cc5)F)O)Cl	D4J	(2s)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one
+COc1cccc(c1)[C@H](c2ccccc2)[C@H]3CCCN3	D4K	(2~{r})-2-[(~{s})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine
+Cc1ccc2c(c1)nc(c(n2)C)c3cc4nc(cc(n4n3)NC5CCOCC5)N6CCCC6	D4L	2-(3,7-dimethylquinoxalin-2-yl)-~{n}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine
+CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(O)O	D4M	[(5r)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
+C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)[C@@](C)(C(F)(F)F)O)CC3(CC3)C(=O)N	D4N	1-{[(3r)-3-methyl-4-({4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide
+C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	D4O	(3~{s})-3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+c1cc(ccc1[C@@H](C(=O)O)N)O	D4P	(2s)-amino(4-hydroxyphenyl)acetic acid
+c1cc(cc(c1)F)c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N	D4Q	2-(3-fluorophenyl)-4-[[(3~{s})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
+CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=CC=C3[C@H]1C5)OC)OC	D4R	(4r,7ar,12bs)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline
+c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3cccc(c3)N)c4ccsc4)O)Cl	D4S	(6r)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one
+CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	D4T	2',3'-dehydro-2',3'-deoxy-thymidine 5'-triphosphate
+c1c(cc(c2c1C[C@@H](OC2=O)CC3CCCCC3)O)O	D4U	(3~{s})-3-(cyclohexylmethyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+Cc1cccnc1O	D4V	3-methylpyridin-2-ol
+c1ccc(c(c1)n2c(ccn2)c3ccc(cc3O)O)Cl	D4W	4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol
+C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)N2)O)O	D4X	(3~{s})-3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{h}-isoquinolin-1-one
+c1cc2c(cc1F)[C@@H](C(=O)N2)O	D4Y	(3s)-5-fluoro-3-hydroxy-1,3-dihydro-2h-indol-2-one
+c1ccc(cc1)c2cc3c(ccc(c3[nH]2)C(=O)N)N[C@H]4CCCNC4	D4Z	2-phenyl-4-[[(3~{s})-piperidin-3-yl]amino]-1~{h}-indole-7-carboxamide
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OCc2ccccc2)N)O	D50	n-{(2s,3r)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-l-leucine
+Cc1cc2c(cc1C)N3[C@@](CC([C@@]34[C@H](N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8)(C)N	D51	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(1r,3s,3as,7as)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+Cc1cc2c(cc1C)N(C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@@](CCc7ccccc7)(c8ccccc8)N	D52	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4s)-5-[5-[(1s)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4ah-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+c1ccc(cc1)CNCCS(=O)(=O)O	D53	2-(benzylamino)ethanesulfonic acid
+C([C@@H]([C@H](C=O)O)O)C(=O)C(=O)O	D54	4-deoxy-l-threo-hex-5-ulosuronic acid
+CCOc1ccc(c(c1)NC(=O)c2cc(c(c(c2)C)OCCN)C)OCC	D55	4-(2-aminoethoxy)-n-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide
+CCOc1c(cc(cc1Cl)N2CCCCC2)NC(=O)c3cc(c(c(c3)C)OCCN)C	D56	4-(2-aminoethoxy)-n-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
+COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)C(=O)OC)O)O	D57	dimethyl 2-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate
+C[C@@H]1[C@H](CCCN1)Nc2c3cc(sc3c(cn2)C(=O)N)c4ccccc4	D58	4-[[(2~{r},3~{s})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide
+Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2cc(cc(c2)Cl)Cl	D59	n-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
+c1cc2cc3cccc(c3cc2c(c1)C[NH3+])C[NH3+]	D5B	[8-(azaniumylmethyl)anthracen-1-yl]methylazanium
+c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N	D5C	n-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)N	D5E	paromamine
+C[C@H]1CCC[C@@H](C1)CC2=Cc3cc(cc(c3C(=O)O2)O)O	D5F	3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one
+CC(C)C[C@@H](C(=O)N[C@H]1C[C@H](OC1)O)NC(=S)Nc2ccccc2	D5G	(2s)-4-methyl-2-(3-phenylthioureido)-n-((3s)-tetrahydro-2-hydroxy-3-furanyl)pentanamide
+COc1cccc(c1)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O	D5H	2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
+c1cnccc1C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3	D5I	n'-(1-adamantylcarbonyl)pyridine-4-carbohydrazide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	D5M	2'-deoxyadenosine-5'-monophosphate
+c1cc(c(cc1c2ccnn2C[C@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F	D5N	(2~{s})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
+c1c(cc(c2c1C=C(OC2=O)CC3CCCCC3)O)O	D5O	3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one
+Cn1cc(cc1C(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)c5cc(ccc5OC)OC	D5Q	4-(2,5-dimethoxyphenyl)-n-(4-(5-(4-fluorphenyl)-2-(methylthio)-1h-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1h-pyrrole-2-carboxamide
+CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C(=N3)c5ccc(c(c5)OC)OC)C	D5T	1-[2-[4-[(4~{a}~{s},8~{a}~{r})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione
+COc1ccccc1C(=O)CCc2ccccc2C(=O)O	D5U	2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]benzoic acid
+c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O	D5V	(1s,2s,3s,4r,5r)-2-amino-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+[H]/N=C\c1nccc(n1)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](c2cc(cc(c2)Cl)Cl)N(C)C	D5W	(2~{s},3~{s})-2-[[(2~{s})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{n}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide
+CC(=O)C([C@H](COP(=O)(O)O)O)(O)O	D5X	(2s)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate
+COC(=O)[C@H](CN1C=C(C(=O)NC1=O)Br)N	D5Y	methyl 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alaninate
+COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)c5c6ccccc6nc(n5)N	D5Z	(4as,8ar)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
+Cn1cc(cn1)c2ccc(c(c2)CCC(=O)c3c(cc(cc3F)c4c[nH]nc4)F)C(=O)O	D60	2-[3-[2,6-bis(fluoranyl)-4-(1~{h}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid
+c1ccc2cc(ccc2c1)CCCCCNC(=O)[C@@H]([C@H](C(=O)O)OCC(=O)O)OCCCCCc3ccc4ccccc4c3	D61	(2r,3r)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid
+COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)c5c6ccsc6nc(n5)N	D62	(4as,8ar)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
+[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3ccc(cc3)c4ccc(cc4)C(=O)N)/N	D63	4'-(5-carbamimidoyl-1h-benzimidazol-2-yl)biphenyl-4-carboxamide
+Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N	D64	6-(4-methylphenyl)quinazoline-2,4-diamine
+Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F	D65	2-(1,1-difluoroethyl)-5-methyl-n-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OC)N)O	D66	n-[(2s,3r)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-l-leucine
+Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)C(F)(F)F	D67	2-(1,1-difluoroethyl)-5-methyl-n-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C(=N3)c5ccc(c(c5)OC(F)F)OC(F)F)C	D68	 1-(2-{4-[(4as,8ar)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione
+[H]/N=C(\Cc1ccccc1)/C[C@@H](c2ccccc2)[C@]34[C@@H](NC(=O)NC3=O)N(c5cc(c(cc5N4)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O	D69	[[(2r,3s,4s)-5-[(4as,10as)-4a-[(1s)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1h-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1cc(ccc1c2nc(on2)[C@H]3C[C@H](CN3)O)C(F)(F)F	D6A	(3r,5r)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol
+CC(=O)O[C@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC	D6C	[(2~{s},3~{r})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
+C1C[C@H](N(C1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O)CO	D6D	(1s,2s,3s,4r,5r)-2-amino-4-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol
+CC(C)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	D6E	(2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid
+CC[n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+](cc4)CC)c5ccc(cc5)c6cc[n+](cc6)CC	D6F	4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O	D6G	2-deoxy-6-o-phosphono-alpha-d-glucopyranose
+CN(C)CCCOc1ccc(nc1)Nc2cc(ncn2)n3cnc4c3cccc4	D6I	6-(benzimidazol-1-yl)-n-[5-[3-(dimethylamino)propoxy]pyridin-2-yl]pyrimidin-4-amine
+CC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3	D6J	(2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2r)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide
+C[C@@H]1C[C@H](OC(O1)(C)C)O	D6K	(4~{s},6~{r})-2,2,6-trimethyl-1,3-dioxan-4-ol
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	D6M	n-hexadecanoyl-l-glutamic acid
+C12345[Fe]6[S]7[Fe]18[N][Fe]29[S]1[Fe]3[S]2[Fe]1[S]9[Fe]42S[Fe]51[S]6[V]7[S]81	D6N	fev
+C(=C\C(=O)O)\C(=O)NC=O	D6O	(~{z})-4-formamido-4-oxidanylidene-but-2-enoic acid
+C(CO)[C@H]([C@@H]([C@@H](\C=C\P(=O)(O)O)O)O)O	D6P	(3,4,5,7-tetrahydroxy-hept-1-enyl)-phosphonic acid
+c1cc(c(c2c1N(C(=O)C23CCN(CC3)C(=O)c4cc5cn[nH]c5nc4)CC(=O)NCC(F)(F)F)F)F	D6Q	2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{h}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
+CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OC	D6R	6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
+CN(Cc1ccccc1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O	D6S	(1s,2s,3s,4r,5r)-2-amino-4-[benzyl(methyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
+CCC(=O)c1ccc(cc1NC(=O)c2ccc3ccccc3n2)c4cn(nn4)c5ccc(cc5)CCN6CCc7cc(c(cc7C6)OCCOCCOCCOC)OC	D6T	~{n}-[5-[1-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1~{h}-isoquinolin-2-yl]ethyl]phenyl]-1,2,3-triazol-4-yl]-2-propanoyl-phenyl]quinoline-2-carboxamide
+CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OCc5ccccn5	D6U	16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
+c1ccc2c(c1)[nH]c(n2)[C@H]3CCNC3	D6V	2-[(3s)-pyrrolidin-3-yl]-1h-benzimidazole
+CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc4c(c3)c[nH]n4)c5ccccc5	D6W	2-[8-(2~{h}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{n}-methyl-ethanamide
+Cc1cc(n2c(n1)nc(n2)CCNc3ccc4ccccc4n3)C	D6X	n-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
+CC(C)(C)c1cc(no1)CC2(COC2)N	D6Y	3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
+c1cc2c(c(c1)Br)C3(CCN(CC3)C(=O)c4ccc5c(n4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F	D6Z	2-[4-bromanyl-2-oxidanylidene-1'-(1~{h}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
+CCC(=N)C[C@@H](c1ccccc1)[C@]23[C@@H](NC(=O)NC2=O)N(c4cc(c(cc4N3)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O	D70	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4as,10as)-4a-[(1s,3e)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate
+c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4	D71	1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione
+CC(C)COc1c(cc2c(c1Cl)O[C@H](C(=C2)C(=O)O)C(F)(F)F)Cl	D72	(2r)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid
+[H]/N=C(\C)/C[C@@H](c1ccccc1)[C@@]23C(=O)NC(=O)N=C2N(c4cc(c(cc4N3)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O	D73	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4as)-4a-[(1s,3e)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate
+Cc1cccc(c1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O	D74	(1r,2s,3r,4r)-3-amino-4-(3-methylphenyl)cyclopentane-1,2-diol
+c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O	D75	daidzein-7-o-glucuronide
+C[N@@]1CCc2c(sc(n2)C(=O)N3CC[N@](C[C@@H]3C(=O)N)S(=O)(=O)c4ccc5cc(ccc5c4)Cl)C1	D76	(2r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperaz ine-2-carboxamide
+C[C@@]([C@H](C(=O)OC)O)([C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)O)C5=O)O)O)O	D77	methyl (2r,3r)-2,3-dihydroxy-3-[(1as,11s,11ar,14z,18r)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11ah-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)OC	D78	(5s)-n-[(1s,2r)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif luoromethyl)phenyl]-5-oxazolidinecarboxamide
+Cc1cc(n2c(n1)nc(n2)CCc3cc(n4c(n3)c5cccnc5n4)O)C	D79	4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol
+COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N	D7A	n-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
+CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)C5=CCNCC5	D7B	(s)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2h)-yl)ethanone
+Cc1cc(n2c(n1)nc(n2)CC(=O)N3c4nc5ccccc5n4C[C@@H]3C)C	D7C	2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2s)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone
+CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2	D7D	n-{cis-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide
+CCn1c2cc(ccc2nc1[C@@H](C)NS(=O)(=O)c3ccc(cc3)Cl)C(F)(F)F	D7E	4-chloro-n-[(1r)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
+CCN(CC)CCOc1ccc2c(c1)C=C3c4c(ccc(c4O2)OC)C(=O)N3C	D7F	6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC2CC2)NC(=O)OCCOCCOC	D7G	((1s)-1-((((1s)-1-benzyl-3-(cyclopropylamino)-2,3-dioxopropyl)amino)carbonyl)-3-methylbutyl)carbamic acid 5-methoxy-3-oxapentyl ester
+CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)c5cnc(nc5)C(=O)N	D7H	(s)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide
+c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OCCOc2cc(c(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	D7I	5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate
+CC(C)N[C@@H](CSC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc2cccnc2	D7J	tert-butyl [(2s)-1-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O	D7K	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(s)-hydroxy[(r)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)O	D7L	6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
+CC(C)(C)OC(=O)NCCSC[C@@H](C(=O)NCc1cccnc1)NC2CCCC2	D7M	tert-butyl (2-{[(2r)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate
+c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F	D7N	2-[1-(4,4-difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1h-isoindole-4-carboxamide
+c1ccc(cc1)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N	D7P	d-phenylalanyl-n~5~-[(2,2-dihydroxyhydrazino)(imino)methyl]-d-ornithinamide
+CC(=O)N1c2ccccc2N(C[C@@H]1C3CC3)Cc4ccccc4C(=O)O	D7Q	2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2h)-yl)methyl)benzoic acid
+Cc1cc(n2c1C(=O)NN=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C	D7R	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2h-pyrrolo[1,2-d][1,2,4]triazin-1-one
+C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C	D7S	(5beta,14beta,17alpha,25s)-3-oxocholest-7-en-26-oic acid
+Cc1cccc(c1)CN2CCN(c3c2cccc3)C(=O)C	D7T	1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2h)-yl)ethanone
+Cc1cc(n2c1C(=O)NC=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C	D7U	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2h-pyrrolo[1,2-a]pyrazin-1-one
+CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3	D7V	(3z)-3-(dibenzo[b,e]oxepin-11(6h)-ylidene)-n,n-dimethylpropan-1-amine
+CN1CC(=O)N=C1NC(=O)Nc2cccc(c2)Cl	D7W	1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{h}-imidazol-2-yl)urea
+Cc1cc(n2c1C(=O)NC=C2)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C	D7X	n-[3-(8-methyl-1-oxidanylidene-2h-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide
+CC(C)N[C@@H](CSCCNC(=O)OC(C)(C)C)C(=O)NCc1cccnc1	D7Y	tert-butyl (2-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate
+C1CC[C@@H]2[C@@H](C1)N[Pt](N2)(Cl)Cl	D7Z	ptcl2(1(r),2(r)-dach)
+CCCCc1nc2c(o1)c3ccccc3nc2N	D80	2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine
+CC(C)(C)OC(=C)N[C@@H](Cc1ccccc1)CSC[C@@H](C(=O)NCc2cccnc2)NC3CCCC3	D81	s-{(2s)-2-[(1-tert-butoxyethenyl)amino]-3-phenylpropyl}-n~2~-cyclopentyl-n-[(pyridin-3-yl)methyl]-l-cysteinamide
+[H]/N=C\1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)[C@H](CC3)O)COC(=O)N	D82	beta-saxitoxinol
+[H]/N=C(/c1ccc(cc1)c2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N\[H])/N)\N	D83	2-(4'-carbamimidoylbiphenyl-4-yl)-1h-indole-6-carboximidamide
+c1ccc(c(c1)Cn2c3cc(ccc3nc2COc4cccc(c4)N5CCCC5=O)C6=CNC(=O)C=C6)OC(F)F	D84	5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1h-benzimidazol-6-yl)pyridin-2(1h)-one
+C1CCN(CC1)C(=[NH2+])N	D86	[azanyl(piperidin-1-yl)methylidene]azanium
+CCCCc1cc2c3ccccc3nc(c2o1)N	D87	2-butylfuro[2,3-c]quinolin-4-amine
+CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)Cl)OC	D88	4-[(3,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
+CCS(=O)(=O)Cc1cc(c(nc1)Oc2ccc(cc2F)F)c3cc(c4n3CC=NC4=O)C	D89	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4h-pyrrolo[1,2-a]pyrazin-1-one
+C1CCC(CC1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O	D8A	(1r,2s,3r,4r)-3-amino-4-cyclohexylcyclopentane-1,2-diol
+Cc1cccc(n1)C#Cc2cccc(c2)OC	D8B	2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine
+Cc1c(ccc2c1OC(=O)C3=C2CCN(C3)C(=O)c4ccc(c(c4)Cl)NS(=O)(=O)C)N5CCN(CC5)C	D8C	n-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1h-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide
+CNC(=O)[C@@H](C1CCCCC1)N2CCC[C@H]2C(=O)O	D8D	1-[(1r)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-l-proline
+Cc1cc(no1)C(=O)N[C@H]2CCCCN(C(=O)CC[C@H](NC(=O)[C@@H](NC2=O)Cc3ccc(cc3)F)CO)C	D8E	~{n}-[(2~{s},5~{s},14~{s})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
+CCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]	D8F	(4-nitrophenyl) hexanoate
+Cc1cc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccccc4F	D8G	6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
+Cc1cc(nc(c1)N)CCc2cc(cnc2)NCCCOC	D8H	6-(2-(5-(3-methoxypropylamino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine
+COc1cccc(c1)CNCCS(=O)(=O)O	D8I	2-[(3-methoxybenzyl)amino]ethanesulfonic acid
+c1cc(ccc1C(=O)NC[C@@H]2[C@H]([C@@H](CO2)N)O)F	D8J	2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-d-arabinitol
+Cc1cc(no1)C(=O)N[C@H]2CNC(=O)[C@H]3CCCN3C(=O)CC[C@H](NC(=O)[C@@H](NC2=O)Cc4ccc(cc4)F)CO	D8K	~{n}-[(5~{s},8~{s},11~{s},15~{r})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide
+CS[C@H](Cc1c[nH]c2c1cccc2)C(=O)O	D8L	(2r)-3-(1h-indol-3-yl)-2-methylsulfanyl-propanoic acid
+c1ccnc(c1)CNC(=O)C[C@H]2[C@@H]([C@@H]([C@H](O2)CN)O)O	D8M	2-[(2s,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-n-(pyridin-2-ylmethyl)acetamide
+CC(=O)Nc1ccc(cc1)[C@H]2CC=NO2	D8N	~{n}-[4-[(5~{r})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide
+Cc1ccc2c(n1)N([C@@H](CCNC2)CO)C	D8P	[(2s)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
+CN1C=C(C=CC1=O)C(=O)NCCN	D8Q	~{n}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
+c1ccc2c(c1)ccc3c2sc(c3)C(=O)O	D8S	benzo[g][1]benzothiole-2-carboxylic acid
+C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O	D8T	d-arabinonic acid
+[2H+]	D8U	deuterium(1+)
+CN(CC#C)Cc1nc(cs1)C2(CCNCC2)O	D8V	4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol
+c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N	D8W	5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
+CC(C)CC(=O)C([C@H](COP(=O)(O)O)O)(O)O	D8X	(2s)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate
+c1cc(cc(c1)Cl)CCc2cccnc2N	D8Y	3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine
+C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C	D8Z	artemether
+C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1	D90	n-(2-{[(5-chloro-1h-indol-2-yl)carbonyl]amino}phenyl)-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
+CC(C)C[C@@H]1C[N@](CCN1C(=O)c2ncc(cn2)c3ccncc3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl	D91	5-chloro-2-({3-isobutyl-4-[(5-pyridin-4-ylpyrimidin-2-yl)carbonyl]piperazin-1-yl}sulfonyl)-1h-indole
+C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1	D92	n-((1r,2s)-2-(5-chloro-1h-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide
+C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1	D93	n-((1r,2r)-2-(5-chloro-1h-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide
+CN1CCN(CC1)C2CC(C2)c3nc(c4n3ccnc4N)c5ccc6ccc(nc6c5)c7ccccc7	D94	3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
+C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C	D95	artesunate
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@H](CCC(=O)O)C(=O)O	D96	n-{4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-d-glutamic acid
+c1ccc2c(c1)cc(cn2)CN[C@@H]3[C@H]4CO[C@H](O4)[C@@H]([C@H]3O)N5CCOCC5	D97	(1s,2s,3s,4r,5r)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
+[H]/N=C(/c1ccc2c(c1)nc([nH]2)c3ccc(cc3)c4ccc(cc4O)/C(=N/[H])/N)\N	D98	2-(4'-carbamimidoyl-2'-hydroxybiphenyl-4-yl)-1h-benzimidazole-5-carboximidamide
+CC(C)(C)CN(c1ccc(cc1[C@@H](c2ccccc2Cl)O)Cl)C(=O)CCC(=O)N3CCC[C@H](C3)C(=O)O	D99	(3r)-1-{4-[{4-chloro-2-[(s)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid
+CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc(c3OC)OC)Cl	D9A	n-{[(3r,5s)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-l-aspartic acid
+CN1C=C(C=CC1=O)C(=O)Nc2ccc3c(c2)N(C(=O)O3)CCN(C)C	D9B	~{n}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
+CCOc1c(ccc2c1Oc3c(ccc4c3C(=C2)N(C4=O)C)OC)OC	D9C	4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
+c1cc(oc1CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCOCC4)CO	D9D	(1s,2s,3s,4r,5r)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+C[C@@H]1CCC/C=C/C=C\[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C/C=C\C(=O)O1)O)O)O	D9F	(3~{z},5~{e},8~{s},9~{e},11~{e},14~{s},16~{r},17~{z},19~{e},24~{r})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
+CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]	D9G	n-dodecyl-n,n-dimethylglycinate
+c1cc(ccc1Nc2nc(nc(n2)Cl)NCCO)S(=O)(=O)N	D9H	4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide
+Cc1c(cccn1)N[C@H]2CCCS(=O)(=O)C2	D9K	~{n}-[(3~{s})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
+CC(=O)NCCSC(=O)CCC(=O)O	D9L	4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid
+c1cnccc1CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCOCC4	D9M	(1s,2s,3s,4r,5r)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccc(cc4)C(=O)OC	D9N	methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl)ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate
+C[C@@H]1CCC/C=C/C=C\[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C\C=C\C(=O)O1)OC(=O)CCC(=O)O)O)O	D9O	4-[[(3~{e},5~{z},8~{s},9~{e},11~{e},14~{s},16~{r},17~{z},19~{e},24~{r})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid
+C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5	D9P	1-desthiobiotinylpyrene
+CN1C=C(C=CC1=O)C(=O)NCCN2CCCC2	D9Q	1-methyl-6-oxidanylidene-~{n}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
+CN(Cc1ccccc1)Cc2cc(no2)C[C@H]3CNCC[C@H]3CC(=O)Nc4nccs4	D9S	2-{(3r,4s)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-n-(1,3-thiazol-2-yl)acetamide
+CN1C=C(C=CC1=O)C(=O)NCC2(CCCCC2)N	D9T	~{n}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
+[H]/N=C(\N)/N[C@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(cc2)CNC(=O)CCCNC1=O)CCCCN)CCCCN	D9U	1-[(10~{s},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(27),24(28),25-trien-10-yl]guanidine
+c1cc(oc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4	D9V	(1s,2s,3s,4r,5r)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br	D9W	~{n}-[3-[(3~{r})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
+C1CCC(CC1)NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4	D9Y	1-cyclohexyl-3-[(1s,2s,3s,4r,5r)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea
+c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl	D9Z	5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	DA	2'-deoxyadenosine-5'-monophosphate
+c1cc(ncc1N)N	DA1	pyridine-2,5-diamine
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)C	DA2	ng,ng-dimethyl-l-arginine
+C1[C@@H](ON=C1C(=O)O)C[C@@H](C(=O)O)N	DA3	(2s,5',s)-2-amino-3-(3-carboxy-2-isoxazolin-5-yl)propanoic acid
+C#Cc1cccc(c1)S(=O)(=O)N	DA4	3-ethynylbenzenesulfonamide
+CN(C)CCNC(=O)c1cccc2c1[nH+]c3c(c2[NH3+])cccc3Br	DA5	5-bromo-9-amino-n-ethyl(diaminomethyl)acridine-4-carboxamide
+CN(C)CCNC(=O)c1cccc2c1[nH+]c3cc(ccc3c2[NH3+])Br	DA6	6-bromo-9-amino-n-ethyl(diaminomethyl)acridine-4-carboxamide
+CN(C)CCNC(=O)c1cccc2c1nc3c(c2N)cccc3F	DA7	5-fluoro-9-amino-(n-(2-dimethylamino)ethyl)acridine-4-carboxamide
+CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O	DA8	octyl 3-deoxy-2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-xylo-hexopyranoside
+C(CS)NC(=O)CN=[N+]=[N-]	DA9	2-azido-n-(2-sulfanylethyl)ethanamide
+C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O[Al-](F)(F)F)N	DAA	8-amino-7-carboxyamino-nonanoic acid with aluminum fluoride
+C(CN)[C@@H](C(=O)O)N	DAB	2,4-diaminobutyric acid
+CCCCCCC\C=C/C(=O)SCCNC(=O)C	DAC	2-decenoyl n-acetyl cysteamine
+c1nc(c2c(n1)n(cn2)[C@@H]3CC[C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)N	DAD	2',3'-dideoxyadenosine-5'-triphosphate
+[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F	DAE	o,p-dinitrophenyl aminoethyldiphosphate-beryllium trifluoride
+C=C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C(C(=O)[C@@H]([C@H]2O)O)C=O	DAF	4,6-dideoxy-4-{[(1s,5r,6s)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-d-xylo-hex-5-enopyranose
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N	DAG	4-amino-4,6-dideoxy-beta-d-glucopyranose
+c1cc(c(cc1C[C@@H](C(=O)O)N)O)O	DAH	3,4-dihydroxyphenylalanine
+CCCCCN1C(=O)[C@H]2C3c4ccccc4C([C@H]2C1=O)(c5c3cccc5)CO	DAI	(3as,9as)-2-pentyl-4-hydroxymethyl-3a,4,9,9a-tetrahydro-4,9[1',2']-benzeno-1h-benz[f]isoindole-1,3(2h)-dione
+Cc1c2n(c3c1C(=O)C(=C(C3=O)C)N)C[C@@H](C2)[NH3+]	DAJ	decarbamoyl-2,7-diaminomitosene
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)\C=C\c4ccc(cc4)N(C)C)O	DAK	4-(n,n-dimethylamino)cinnamoyl-coa
+C[C@H](C(=O)O)N	DAL	d-alanine
+CNC(=C)C(=O)O	DAM	n-methyl-alpha-beta-dehydroalanine
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O	DAN	2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
+CCCCCCCCCCCC(=O)O	DAO	lauric acid
+c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)C(=N)N	DAP	6-amidine-2-(4-amidino-phenyl)indole
+[Be](O[P@@](=O)(O)O[P@](=O)(O)OCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F	DAQ	o,p-dinitrophenyl aminopropyldiphosphate beryllium trifluoride
+C(C[C@H](C(=O)O)N)CNC(=[NH2+])N	DAR	d-arginine
+C([C@H](C(=O)O)N)C(=O)O	DAS	d-aspartic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N	DAT	2'-deoxyadenosine-5'-diphosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	DAU	2'deoxy-thymidine-5'-diphospho-alpha-d-glucose
+C(CC[NH3+])CC(=O)O	DAV	delta-amino valeric acid
+c1ccc(cc1)[C@@H](c2cnnn2CC(=O)NCCCS)NC(=O)c3ccc(cc3)S(=O)(=O)N	DAW	n-[(s)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1h-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide
+C[NH+](C)CCNC(=O)c1cccc2c1[nH+]c3c(c2N)cccc3Br	DAX	5-bromo-n[2-(dimethylamino)ethyl]-9-aminoacridine-4-carboxamide
+C[C@@H]1C[C@H]2[C@@H]3C=C(C4=Cc5c(cnn5c6ccccc6)C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)C	DAY	1-[(1r,2r,3as,3bs,10ar,10bs,11s,12as)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone
+N[Zn]N	DAZ	diaminozinc
+C[N@](CC#C)CC1=Cc2ccccc2Oc3c1cccc3	DB0	n-(dibenzo[b,f]oxepin-10-ylmethyl)-n-methyl-n-prop-2-ynylamine
+c1cc(c(c(c1)O)O)C(=O)N	DB1	2,3-dihydroxybenzamide
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C\C/C=C/CCCCC)O)O	DB3	(11z,14e)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
+CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC	DB4	(2r)-3-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate
+C1CCc2c(nn[nH]2)[C@H](CC1)OC(=O)O	DB5	[(4~{s})-4,5,6,7,8,9-hexahydro-1~{h}-cycloocta[d][1,2,3]triazol-4-yl] hydrogen carbonate
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C/C/C=C/CCCCC)O)O	DB6	(11e,14e)-n-[(2s,3s,4r)-1-(alpha-d-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
+CCCCOC(=O)c1ccccc1C(=O)OCCCC	DB7	dibutyl benzene-1,2-dicarboxylate
+CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC	DB8	4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
+[H]/N=C(\c1ccc(cc1)c2cccc(c2)c3[nH]c4cc(ccc4n3)/C(=N\[H])/N)/N	DB9	2-{4'-[amino(imino)methyl]biphenyl-3-yl}-1h-benzimidazole-6-carboximidamide
+Cc1cccc(c1OCC(=O)O)C	DBA	(2,6-dimethyl-phenoxy)-acetic acid
+CC[C@H](C(=O)O)N	DBB	d-alpha-aminobutyric acid
+C([C@@H]1[C@H](OC(O1)O)CS)S	DBC	(4s,5s)-4,5-bis(mercaptomethyl)-1,3-dioxolan-2-ol
+c1ccc2c(c1)C(=NS2(=O)=O)OC[C@H]3c4c(c(c(s4)NC(=O)C(=O)O)C(=O)O)CCO3	DBD	7-(1,1-dioxo-1h-benzo[d]isothiazol-3-yloxymethyl)-2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid
+c1cc(ccc1C(=O)c2ccc(cc2)O)O	DBE	bis(4-hydroxyphenyl)methanone
+c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O	DBF	dibenzofuran-4,6-dicarboxylic acid
+c1ccc(cc1)C(=O)c2ccc(c(c2)N)N[P@@](=O)(N[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O	DBG	3-aminobenzophenone-4-yl-aminohydroxyphosphinylaminophosphonic acid-guanylate ester
+c1cc(c(c(c1)O)O)C(=O)O	DBH	2,3-dihydroxy-benzoic acid
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O	DBI	phosphoric acid mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl] ester
+c1cc(c2c(c1)OCCO2)CO	DBJ	2,3-dihydro-1,4-benzodioxin-5-ylmethanol
+CCCCCCCCCCCC(=O)O[C@H]1C[C@]([C@H]2C[C@H](C(=C2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C	DBK	(3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate
+Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O	DBM	9-(6-deoxy-beta-d-allofuranosyl)-6-methylpurine
+c1cc(ccc1c2ccc(s2)c3[nH]c4cc(ccc4n3)C5=NCCN5)C6=NCCN6	DBN	6-(4,5-dihydro-1h-imidazol-2-yl)-2-{5-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]thien-2-yl}-1h-benzimidazole
+Cc1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)C3=Cc4ccccc4Oc5c3cccc5)O	DBO	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methylbenzyl)amino]propyl}dibenzo[b,f]oxepine-10-carboxamide
+c1cc(cc(c1)N)CN	DBP	1,3-diaminobenzyl phenylalanine
+c1c[nH]c2c1/C(=C\3/C(=O)NC(=N3)N)/CCNC2=O	DBQ	debromohymenialdisine
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)C34CC5CC(C3)CC(C5)C4	DBR	adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-butyl-amide
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O	DBS	2-(2,3-dihydroxy-benzoylamino)-3-hydroxy-propionic acid
+CCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O	DBT	5-heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione
+C\C=C(\C(=O)O)/N	DBU	(2z)-2-aminobut-2-enoic acid
+Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C)C=C)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O	DBV	15,16-dihydrobiliverdin
+c1cc(c(c2c1C=C3C4=C(CC5=C(C4)OCO5)C=CN3C2)O)O	DBW	4,14-dihydro-8h-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol
+c1cc(c(cc1O)S(=O)(=O)O)O	DBX	2,5-dihydroxybenzenesulfonic acid
+c1c(cc(c(c1Br)O)Br)C[C@@H](C(=O)O)N	DBY	3,5 dibromotyrosine
+c1ccc(cc1)C(=O)NC[C@@H](C(=O)O)N	DBZ	3-(benzoylamino)-l-alanine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	DC	2'-deoxycytidine-5'-monophosphate
+CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(=O)O)N	DC0	n-[(2s)-2-amino-4-methylpentyl]-l-phenylalanine
+CC1(CC(=O)CC(=O)C1)C	DC1	5,5-dimethylcyclohexane-1,3-dione
+CC(=O)N[C@@H](CS[C@H](CCl)Cl)C(=O)O	DC2	n-acetyl-s-[(1s)-1,2-dichloroethyl]-l-cysteine
+Cc1cccc(c1)c2cn(nn2)CC[C@@H](Cc3cc(c(cc3F)F)F)N	DC3	(2r)-4-[4-(3-methylphenyl)-1h-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine
+c1ccc2c(c1)c3cc(ccc3o2)Cl	DC4	2-chlorodibenzofuran
+c1ccc(cc1)c2c(cccc2Cl)Cl	DC5	2,6-dichlorobiphenyl
+CN(Cc1cccnc1)Cc2nc(cs2)C3(CCNCC3)O	DC7	4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol
+c1cc(ccc1[C@H]2[C@H]3CC(C[C@H]3c4cc(ccc4O2)O)(F)F)O	DC8	(3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
+CCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	DCA	desulfo-coenzyme a
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)F	DCB	2,4-dinitrophenyl-2-deoxy-2-fluoro-beta-d-cellobioside
+CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	DCC	dodecyl-coa
+CCN(CC)C(=S)S	DCD	diethylcarbamodithioic acid
+C(CCl)Cl	DCE	1,2-dichloroethane
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC[C@H]2O	DCF	2'-deoxycoformycin
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	DCG	2'-deoxy-guanosine-5'-monophosphate
+CCOC(=O)[C@@H](Cc1ccc2ccc(cc2c1)C(N)N)c3ccc(cc3)O[C@H]4CCNC4	DCH	3-(7-diaminomethyl-naphthalen-2-yl)-propionic acid ethyl ester
+CC[C@H](C)CN	DCI	2-methyl-butylamine
+C[N+](C)(CCO)Cc1cn(nn1)c2cc(nc(c2)C(=O)O)C(=O)O	DCJ	n-((1-(2,6-dicarboxypyridin-4-yl)-1h-1,2,3-triazol-4-yl)methyl)-2-hydroxy-n,n-dimethylethanaminium
+C[N+](C)(C)C[C@H](CC(=O)O)O	DCK	(2s)-3-carboxy-2-hydroxy-n,n,n-trimethylpropan-1-aminium
+CC(C)C[C@@H](CO)N	DCL	2-amino-4-methyl-pentan-1-ol
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	DCM	2'-deoxycytidine-5'-monophosphate
+c1cc(ccc1Oc2ccc(cc2O)Cl)Cl	DCN	diclosan
+C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O	DCO	3,3-dichloro-2-phosphonomethyl-acrylic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	DCP	2'-deoxycytidine-5'-triphosphate
+CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C	DCQ	2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
+CCCCCCCCCCCCCCCCCCCC(=O)O	DCR	icosanoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O	DCS	d-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-n,o-cycloserylamide
+C1C[C@@H](O[C@@H]1CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	DCT	2',3'-dideoxycytidine 5'-triphosphate
+C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N	DCU	3,8-diamino-5,10'-(trimethylammonium)decyl-6-phenyl phenanthridinium
+CC(=O)N(CC[C@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O	DCV	[(1r)-3-[acetyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid
+C1CCC(CC1)NC(=O)NC2CCCCC2	DCW	dicyclohexylurea
+CCCCCCCCCCP(=O)(C)C	DCX	decyl(dimethyl)phosphine oxide
+C([C@H](C(=O)O)N)S	DCY	d-cysteine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O	DCZ	2'-deoxycytidine
+c1ccc(c(c1)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N)F	DD1	5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
+c1cc(c(c(c1)Cl)Cl)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N	DD2	5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
+C[C@@H](c1cccc(c1)Cl)Oc2cccc3c2c(nc(n3)N)N	DD3	5-[(1s)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
+Cc1ccc(cc1F)c2nc(on2)[C@H]3C[C@H](CN3)O	DD4	(3r,5r)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
+c1cc(c(cc1c2ccn(n2)C[C@@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F	DD5	(2~{r})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
+CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C\[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C	DD6	(3s,3'r,5r,6s,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol
+c1ccc(cc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)Sc4ccccc4	DD7	(1s,2s,3s,4r,5r)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+CN1c2cnc3ccc(cc3c2N(C1=O)C4CCOCC4)c5cccnc5	DD8	3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one
+CCCCCCCCC	DD9	nonane
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)O	DDA	beta-d-olivopyranose
+C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O	DDB	3-methyl-2,6-dideoxy-beta-d-allopyranose
+c1ccc(cc1)[C@@H]2CC(=O)c3ccc(cc3O2)O	DDC	7-hydroxy-2-phenyl-chroman-4-one
+C1CC(=O)N2C[N@]([C@@H]1C(=O)O)CSC[C@H]2C(=O)NCC(=O)O	DDD	(5r,10s)-5-{[(carboxymethyl)amino]carbonyl}-7-oxo-3-thia-1,6-diazabicyclo[4.4.1]undecane-10-carboxylic acid
+C[N+](C)(C)[C@H](CCc1[nH]cc(n1)C[C@@H](C(=O)O)N)C(=O)N	DDE	{3-[4-(2-amino-2-carboxy-ethyl)-1h-imidazol-2-yl]-1-carbamoyl-propyl}-trimethyl-ammonium
+c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	DDF	5,10-dideazatetrahydrofolic acid
+c1nc2c(n1[C@H]3CC[C@H](O3)COP(=O)(O)O)N=C(NC2=O)N	DDG	2',3'-dideoxy-guanosine-5'-monophosphate
+Cc1c2n3c(c1C(=O)C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C(=C)O)C)CCC(=O)O)C	DDH	[7,12-deacetyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoato(2-)-n21,n22,n23,n24]-iron
+c1ccc2cc3c(cc2c1)[C@H]4[C@@H](C3=O)C[C@@H]([C@@]45c6ccccc6CCC5=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)N	DDI	spiro[naphthalene-2(3h),3'(10'h)-pentaleno[1,2-b]naphthalene]-3,10'-dione, 2'-[(2-amino-2-deoxy-b-d-gulopyranosyl)oxy]-1,1',2',3'a,4,10'a-hexahydro-,(2'r,3'as,10'ar)-(9ci)
+COc1cc(ccc1N)c2ccc(c(c2)OC)N	DDJ	3,3'-dimethoxybiphenyl-4,4'-diamine
+C(CC[C@@H](C[SeH])C(=O)O)CCN	DDK	(2r)-7-amino-2-(selanylmethyl)heptanoic acid
+C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)O	DDL	2,6-dideoxy-beta-d-galactopyranose
+C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O	DDM	2-hydroxymethyl-piperidine-3,4,5-triol
+C1[C@@H]([C@H](O[C@H]1N2C=C[C@H](NC2=O)O)COP(=O)(O)O)O	DDN	3,4-dihydro-2'-deoxyuridine-5'-monophosphate
+C(CCO)C[C@H](C(=O)O)N	DDO	6-hydroxy-d-norleucine
+c1(c(nc(nc1O)N)O)N	DDP	2,4-diamino-4,6-dihydroxypyrimidine
+CCCCCCCCCC[N+](C)(C)[O-]	DDQ	decylamine-n,n-dimethyl-n-oxide
+CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC	DDR	(2s)-3-hydroxypropane-1,2-diyl didecanoate
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N	DDS	2',3'-dideoxyadenosine triphosphate
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccc(cc3)OS(=O)(=O)c4cccc5c4cccc5N(C)C)C(=O)O	DDT	n,o-didansyl-l-tyrosine
+C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O	DDU	2'-5'dideoxyuridine
+c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)NCC4CC4)O	DDV	(1s,2s,3s,4r,5r)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+C(CC[C@@H](CS)C(=O)O)CCN	DDW	(2r)-7-amino-2-(sulfanylmethyl)heptanoic acid
+C1=C[C@H](O[C@@H]1COP(=O)(O)O)O	DDX	2',3'-dehydro-2',3'-dideoxyribofuranose-5'-phosphate
+C1C[C@@H](O[C@@H]1CO[P@@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	DDY	2',3'-dideoxycytosine-5'-diphosphate
+[C@H](C(O)O)(C(=O)O)N	DDZ	3,3-dihydroxy l-alanine
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CCNC1=O)CCCCN)CCCCN	DE0	1-[(9~{r},16~{s},19~{s})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine
+CCCCCCCCCCO	DE1	decan-1-ol
+CC(=O)[C@H](CO)O	DE2	1-deoxy-l-erythrulose
+CCN(CC)C(=O)c1cccc(c1)C	DE3	n,n-diethyl-3-methylbenzamide
+c1ccc(cc1)CN2CC[C@H](C2)Nc3ccc(c(c3)[N](=O)O)CO	DE4	[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-[[(3~{r})-1-(phenylmethyl)pyrrolidin-3-yl]amino]phenyl]methanol
+c1csc(n1)NC(=O)CN	DE5	2-azanyl-~{n}-(1,3-thiazol-2-yl)ethanamide
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)[C@@H](NC1=O)C)CCCCN)CCCCN	DE6	1-[(5~{s},8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
+c1cc(c(cc1N[C@H]2CCCNC2)[N+](=O)[O-])CO	DE7	(2-nitro-4-{[(3s)-piperidin-3-yl]amino}phenyl)methanol
+Cc\1c/c/2c/c3n/c(c\c4c(c(c([nH]4)/cc/5\nc(/cc1\[nH]2)C(=C5CCC(=O)O)C)CCC(=O)O)C)/C=C3C	DE9	3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid
+c1nc(c2c(n1)n(cn2)C[C@H]([C@H](C(=O)O)O)O)N	DEA	d-eritadenine
+CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C	DEB	6-deoxyerythronolide b
+C(CCCCC(=O)O)CCCC(=O)O	DEC	sebacic acid
+CN(C)CCO[P@@](=O)(O)OP(=O)(O)O	DED	2-dimethylamino-ethyl-diphosphate
+CCOC(=O)c1c([nH]nc1C)C	DEE	3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
+CCC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCNOS(=O)(=O)C	DEF	deferoxamine mesylate fe(iii) complex
+CCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	DEG	butyl alpha-d-mannopyranoside
+COc1ccc2cc-3[n+](cc2c1O)CCc4c3cc(c(c4)OC)O	DEH	2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium
+CS\C=C(\C(=O)O)/O	DEI	(2z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid
+CC(C)N[C@@H](CSC[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)C(=O)NCc3cccnc3	DEJ	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
+C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)CO	DEL	4-deoxylactose
+CCCCCCCCCCOCO	DEM	decyloxy-methanol
+c1ccc2c(c1)CC=C2	DEN	indene
+CCOc1ccc(cc1)c2ccc(cc2)C(=O)C[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)O	DEO	2-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]-4-(4'-ethoxy-1,1'-biphenyl-4-yl)-4-oxobutanoic acid
+CCOP(=O)OCC	DEP	diethyl phosphonate
+Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N)C)N	DEQ	dequalinium
+C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O	DER	d-4-phosphoerythronic acid
+CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O	DES	diethylstilbestrol
+CCCCCCCCCCC[N+](C)(C)[O-]	DET	undecylamine-n,n-dimethyl-n-oxide
+Cc1cc2cc3[n+]4c(cc5c(c(c6n5[Co+3]47n2c1cc8[n+]7c(c6)C(=C8)C)C)CCC(=O)O)C(=C3C)CCC(=O)O	DEU	co(iii)-(deuteroporphyrin ix)
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSC[C@H](C(=O)NCc2cccnc2)Nc3ccccc3	DEV	tert-butyl [(2s)-1-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+c1csc2c1CN(CC2)C(=O)CN	DEW	2-azanyl-1-(6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-yl)ethanone
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C	DEX	dexamethasone
+CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)O[C@H](C)C(=O)N	DEY	(2r)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothia diazin-7-yl}oxy)propanamide
+C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O	DEZ	4-phospho-d-erythronate
+c1ccc(cc1)c2ccc(cc2F)CC(=O)O	DF0	(2-fluorobiphenyl-4-yl)acetic acid
+C[C@H](CNc1c2c(c([nH]c2ncn1)c3ccccc3)c4ccccc4)O	DF1	(2r)-1-[(5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
+c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NC[C@H](CO)O	DF2	(2r)-3-{[(4z)-5,6-diphenyl-6,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-ylidene]amino}propane-1,2-diol
+c1ccc2c(c1)c(cn2CCNC(=O)c3cccc(c3)C(F)(F)F)SCC(=O)Nc4ccc5c(c4)OCCO5	DF3	n-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1h-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
+CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)[O-])F)O	DF4	(3r,4r,5r,6r)-5-(acetylamino)-3-fluoro-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4,5,6-tetrahydropyranium-2-carboxylate
+COc1ccc2c(c1)ccc[n+]2C(=O)c3ccc(cc3)S(=O)(=O)N	DF5	6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium
+COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4	DF6	n-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide
+c1ccc2c(c1)c(c[nH]2)CN3CC[C@H](C3)Nc4ccc(c(c4)[N](=O)O)CO	DF7	[4-[[(3~{r})-1-(1~{h}-indol-3-ylmethyl)pyrrolidin-3-yl]amino]-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methanol
+c1nc(c2c(n1)n(c(n2)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	DF8	(2~{r},3~{r},4~{s},5~{r})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
+c1ccc(cc1)CSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N	DF9	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol
+c1ccc(cc1)C(c2ccccc2)C(=O)O	DFA	diphenylacetic acid
+c1cc(c(c(c1)F)F)CO	DFB	2,3-difluorobenzyl alcohol
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	DFC	2'-deoxy-l-ribo-furanosyl cytosine-5'-monophosphate
+CCCCCCCCCCOC=O	DFD	decyl formate
+CC(OCC(F)(F)F)(F)F	DFE	2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane
+c1ccc(cc1)C(=O)c2ccc(cc2)C[C@H](C(=O)O)N	DFF	4-benzoyl-d-phenylalanine
+c1nc2c(n1[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	DFG	2'-deoxy-l-ribo-furanosyl guanine-5'-monophosphate
+CC(c1ccccc1)(c2ccccc2)O	DFH	1,1-diphenylethanol
+CC(C)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N	DFI	2,2-difluorostatine
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N)NC(=O)Cc3ccc(cc3)C(F)(F)P(=O)(O)O	DFJ	n-({4-[difluoro(phosphono)methyl]phenyl}acetyl)-l-phenylalanyl-4-[difluoro(phosphono)methyl]-l-phenylalaninamide
+[H]/N=C(/N)\NCCC[C@@H](C(C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N	DFK	d-phenylalanyl-n-[(1s)-4-{[(z)-amino(imino)methyl]amino}-1-(chloroacetyl)butyl]-l-prolinamide
+c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O	DFL	2-(4-hydroxy-phenyl)-chroman-4-one
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N	DFM	n-acetyl-l-phenylalanyl-4-[difluoro(phosphono)methyl]-l-phenylalaninamide
+Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O	DFN	3-[3-(2,3-dihydroxy-propylamino)-phenyl]-4-(5-fluoro-1-methyl-1h-indol-3-yl)-pyrrole-2,5-dione
+CC(C)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N	DFO	2,2-difluoro-3-hydrostatine
+CC(C)OP(=O)OC(C)C	DFP	diisopropyl phosphonate
+C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2ccc3c(c2)cc(cn3)/C=C/C(=O)NC	DFQ	(2e)-3-{6-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-n-methylprop-2-enamide
+C[C@H]1[C@@H]([C@H](O[C@@]1(CO)O)CO)O	DFR	3-deoxy-3-methyl-beta-d-fructofuranose
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c(nc2)nc[nH]3)F	DFS	2,6-difluoro-n-(1h-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide
+Cc1cc(c(cc1F)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	DFT	1-[2-deoxyribofuranosyl]-2,4-difluoro-5-methyl-benzene-5'monophosphate
+C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O	DFU	(2s,3r,4s,5r)-2-methylpiperidine-3,4,5-triol
+c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O	DFV	7-hydroxy-2-(4-hydroxy-phenyl)-chroman-4-one
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCC(=O)O	DFW	n-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)glycine
+C1[C@H]([C@@H]([C@H](CO1)F)O)O	DFX	1,5-anhydro-2-deoxy-2-fluoro-d-xylitol
+CN(CCO)c1c2c(c(oc2ncn1)c3ccccc3)c4ccccc4	DFY	(5,6-diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-acetic
+c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NCCO	DFZ	3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	DG	2'-deoxyguanosine-5'-monophosphate
+[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O)O)O)C(=O)O)O)O	DG0	4-o-alpha-d-galactopyranuronosyl-alpha-d-galactopyranuronic acid
+c1cnccc1C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O	DG1	(4s)-isonicotinic-acetyl-nicotinamide-adenine dinucleotide
+C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O	DG2	(2r)-2,3-diphosphoglyceric acid
+c1nc2c(n1[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N	DG3	2'-3'-dideoxyguanosine-5'-triphosphate
+C([C@@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O	DG4	phosphono (2s)-2-oxidanyl-3-phosphonooxy-propanoate
+C(CO)[C@H]([C@@H](C(COP(=O)(O)O)O)O)O	DG6	2-deoxy-glucitol-6-phosphate
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4cccnc4	DG7	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)Nc5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N	DG8	2'-deoxy-8-(pyren-1-ylamino)guanosine 5'-(dihydrogen phosphate)
+CC(C)[C@H]([C@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P+](=O)[O-])O)N	DG9	5'-({[(2r,3r)-3-amino-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC	DGA	diacyl glycerol
+c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3	DGB	(2e)-n-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide
+C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O	DGC	4-deoxy-alpha-l-threo-hex-4-enopyranuronic acid
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC	DGD	digalactosyl diacyl glycerol (dgdg)
+C[C@H]([C@@H](C=O)[C@@H]1N=C(C(S1)[C@H]2CCCO2)C(=O)O)O	DGF	(2r,5r)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-5-[(2r)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC	DGG	1-[glycerolylphosphonyl]-2-[8-(2-hexyl-cyclopropyl)-octanal-1-yl]-3-[hexadecanal-1-yl]-glycerol
+c1cc(ccc1[C@H](C(=O)O)N)O	DGH	(2r)-amino(4-hydroxyphenyl)acetic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	DGI	2'-deoxyguanosine-5'-diphosphate
+C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O	DGJ	(2r,3s,4r,5s)-2-(hydroxymethyl)piperidine-3,4,5-triol
+C(CC(=O)O)[C@H](C(=O)O)N	DGL	d-glutamic acid
+[CH+]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	DGM	d-glucopyranosylium
+C(CC(=O)N)[C@H](C(=O)O)N	DGN	d-glutamine
+C1=CO[C@@H]([C@H]([C@@H]1O)O)CO	DGO	d-glucal
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	DGP	2'-deoxyguanosine-5'-monophosphate
+[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	DGQ	(s)-2-(3-((s)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid
+c1cc(cnc1)C(=O)NNC(=O)/C=C/C(=O)O	DGR	(e)-4-(2-nicotinoylhydrazinyl)-4-oxobut-2-enoic acid
+C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)OS(=O)(=O)O)O	DGS	3,6-anhydro-2-o-sulfo-alpha-d-galactopyranose
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	DGT	2'-deoxyguanosine-5'-triphosphate
+C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O	DGU	d-galacturonic acid
+c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC(CC3)c4c(cccc4Cl)Cl	DGV	1-benzyl-n-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-d-prolinamide
+Cc1cccc2c1CC[C@@H](C[C@@H]2O)CN3CCC(CC3)c4c(cccc4Cl)Cl	DGW	(5s,7s)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ol
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O	DGX	digoxin
+C([C@H](C(=O)O)O)O	DGY	(2r)-2,3-dihydroxypropanoic acid
+C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O	DGZ	n-((2r,3s,6s,18s,21s)-2-amino-18-(4-benzoylbenzyl)-21-carbamoyl-3-hydroxy-6-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-1-phenyl-11,14-dioxa-5,8,17,20-tetraazapentacosan-25-yl)hex-5-ynamide
+COc1ccc(cc1Cc2cnc(nc2N)N)OCCCCC(=O)O	DH1	2,4-diamino-5-[2-methoxy-5-(4-carboxybutyloxy)benzyl]pyrimidine
+c1cc(c(cc1[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O	DH2	(2s,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one
+COc1cc(cc(c1OC)C#CCCCC(=O)O)Cc2cnc(nc2N)N	DH3	2,4-diamino-5-[3',4'-dimethoxy-5'-(5-carboxyl-1-pentynyl)]benzyl pyrimidine
+CC1(C(NC(S1)[C@H](C=O)/N=C/N2CCCCCC2)C(=O)O)C	DH4	2-[(1r)-1-{[(e)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+Cc1cc(ccc1Br)CN2C(=C(C(=O)NC2=O)N(C)S(=O)(=O)c3ccccc3)N	DH5	n-(6-amino-1-(4-bromo-3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+c1ccc(cc1)/C=C/C(=O)N	DH6	cinnamide
+CC(=CCC/C(=C/CCC(=C=CC=C=C(CC/C=C(/CCC=C(C)C)\C)C)C)/C)C	DH7	(6e,10r,13s,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene
+C/C=C/1\[C@@H]2C[C@H]3[C@@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5OC(=O)C)[N@]3[C@@H]1O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)c7ccccc7N4	DH8	(2beta,7beta,16s,17r,19e,21beta)-21-(beta-d-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate
+CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O	DH9	(2s,3s,5s)-5-[(n-formyl-l-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid
+C=C(C(=O)O)N	DHA	2-amino-acrylic acid
+c1cc(c(cc1C(=O)O)O)O	DHB	3,4-dihydroxybenzoic acid
+c1cc(c(cc1\C=C\C(=O)O)O)O	DHC	caffeic acid
+C(C(=O)C(=O)O)C(=O)C(=O)O	DHD	2,4-dioxo-pentanedioic acid
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=[N]7[Fe]3(N45)[N]8=C(C=C7[C@@](C6=O)(C)CC(=O)O)C(=O)[C@](C8=C2)(C)CC(=O)O)C)CCC(=O)O	DHE	heme d
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N	DHF	dihydrofolic acid
+CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@@](=O)(O)OCCO	DHG	phosphonic acid 2-dodecanoylamino-hexyl ester propyl ester
+C(CCC(O)O)C[C@@H](C(=O)O)N	DHH	(s)-2-amino-7,7-dihydroxyheptanoic acid
+c1c([nH+]c[nH]1)C[C@H](C(=O)O)N	DHI	d-histidine
+C(C[P@](=O)(CC(=O)CC(=O)O)O)C(=O)O	DHJ	4-(2-carboxyethyl)(hydroxy)phosphoryl]-3-oxobutanoic acid
+C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O	DHK	3-dehydroshikimate
+C(CS)N	DHL	2-amino-ethanethiol
+C[C@H](CCCC(C)(C)O)C=C	DHM	2,6-dimethyl-7-octen-2-ol
+C(C[C@@H](C(=O)O)N)CO	DHN	5-hydroxy norvaline
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	DHO	deoxycholic acid
+CCCCCCCCCCC1=C(C(=O)NC1=O)O	DHP	3-decyl-2,5-dioxo-4-hydroxy-3-pyrroline
+Cc1cccc2c1CCNC2=O	DHQ	3,4-dihydro-5-methyl-isoquinolinone
+c1cc(ccc1[C@@H](C#N)O)O	DHR	(2s)-hydroxy(4-hydroxyphenyl)ethanenitrile
+C1[C@H]([C@@H](C(C=C1C(=O)[O-])N)O)O	DHS	3-amino-4,5-dihydroxy-cyclohex-1-enecarboxylate
+C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C	DHT	5-alpha-dihydrotestosterone
+C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	DHU	5,6-dihydrouridine-5'-phosphate
+CC(C)([C@H](C(=O)O)N)O	DHV	3-hydroxy-d-valine
+c1cc(c(cc1CC(=O)O)O)O	DHY	2-(3,4-dihydroxyphenyl)acetic acid
+C1C=CN(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	DHZ	3,4-dihydro-1h-pyrimidin-2-one nucleoside
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O	DI	2'-deoxyinosine-5'-monophosphate
+CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O	DI0	dirithromycin
+CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(c(c3)Oc4ccc5c(c4)CC(=O)N5)C	DI1	4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide
+B([C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O	DI2	ac-(d)phe-pro-borolys-oh
+B([C@H](CCCCC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O	DI3	ac-(d)phe-pro-boro-n-butyl-amidino-glycine-oh
+B([C@H](CCCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O	DI4	ac-(d)phe-pro-borohomolys-oh
+B([C@H](CCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O	DI5	ac-(d)phe-pro-borohomoornithine-oh
+C(CC(=O)O)[C@H]1C(=O)NC(=O)N1	DI6	3-[(4s)-2,5-dioxoimidazolidin-4-yl]propanoic acid
+Cc1cc(cc(c1C[C@@H](C(=O)O)N)C)O	DI7	2,6-dimethyl-l-tyrosine
+c1ccc2c(c1)C[C@H](NC2)C(=O)O	DI8	(3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
+C1CCC(C1)OP(=O)(N)OC2CCCC2	DI9	dicyclopentyl phosphoramidate
+C(CCCCN)CCCN	DIA	octane 1,8-diamine
+CN(C)CCCN	DIB	3-amino-(dimethylpropylamine)
+c1ccc2c(c1)C(=C(OC2=O)Cl)Cl	DIC	3,4-dichloroisocoumarin
+c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N	DID	4,4'[1,6-hexanediylbis(oxy)]bisbenzenecarboximidamide
+CCc1cccc(c1O)CC	DIE	2,6-diethylphenol
+c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl	DIF	2-[2,6-dichlorophenyl)amino]benzeneacetic acid
+C([C@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O	DIG	2,5-dideoxy-2,5-imino-d-glucitol
+c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO	DIH	7-[[(3r,4r)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
+CC(C)OP(=O)(C)OC(C)C	DII	methylphosphonic acid diisopropyl ester
+CC(=CC(=O)CCc1ccc(cc1)NC(=O)CCCC(=O)O)C	DIK	5-{[4-(5-methyl-3-oxohex-4-en-1-yl)phenyl]amino}-5-oxopentanoic acid
+CC[C@@H](C)[C@H](C(=O)O)N	DIL	d-isoleucine
+Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)NCCC(=[NH2+])N)C)NC=O	DIM	diimidazole lexitropsin
+c1cc2cc(ccc2c(c1)O)O	DIN	1,6-dihydroxy naphthalene
+C1COCCO1	DIO	1,4-diethylene dioxide
+CCCCCNCCCCC	DIP	dipentylamine
+C[N@@]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)O	DIQ	2-methyl-decahydro-isoquinoline-3-carboxylic acid
+C([C@@H](C(=O)O)N)N/C(=N/O)/N	DIR	3-{[(e)-amino(hydroxyimino)methyl]amino}alanine
+O	DIS	disordered solvent
+COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)C6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC	DIT	ditercalinium
+c1c(cc(c(c1C(=O)O)O)I)I	DIU	2-hydroxy-3,5-diiodo-benzoic acid
+CC[C@](C)(C(=O)O)N	DIV	d-isovaline
+CC\1(c2ccccc2N(/C1=C/C=C/c3cc[n+](c4c3cccc4)CCCS(=O)(=O)O)C)C	DIW	1-(3-sulfopropyl)-4-[(1e,3e)-3-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)prop-1-en-1-yl]quinolinium
+CNCCCC1CCCC1	DIX	methyl(cyclopentyl-propyl)amine
+CCCC[C@@H]1CCCNC1	DIY	5-butylpiperidine
+c1cc(ccc1[C@H]2C(=O)Nc3ccc(cc3C(=O)N2[C@@H](c4ccc(cc4)Cl)C(=O)O)I)Cl	DIZ	(4-chlorophenyl)[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4h-1,4-benzodiazepin-4-yl]acetic acid
+c1ccc(cc1)COc2c(cc(cc2F)F)CCC=O	DJ0	3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSC[C@@H](C(=O)NCc3cccnc3)NC4CCCC4	DJ1	tert-butyl [(2s)-1-{[(2r)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1h-indol-3-yl)propan-2-yl]carbamate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CON)O)O)N	DJ2	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol
+CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@@H](O1)CCCC(=O)O	DJ3	5s-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid
+c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N](=O)O)CO)C(F)(F)F	DJ4	[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-[[(3~{s})-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]phenyl]methanol
+c1cc(cnc1)NC(=O)c2cc(sc2Cl)Cl	DJ6	2,5-dichloro-n-(pyridin-3-yl)thiophene-3-carboxamide
+Cc1cc(ccc1CNC(=O)Nc2ccc-3cc2OCCOCCNc4ccn5c(c3cn5)n4)Cl	DJ8	1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea
+COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4ccc5cc[nH]c5c4	DJ9	2-(1h-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1h-imidazo[4,5-c]pyridine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)OC(=O)C	DJB	3-o-acetyl-2-acetamido-2-deoxy-alpha-d-galactopyranuronic acid
+c1cc(ccc1CCC=O)c2cc(ccc2C(F)(F)F)F	DJC	3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal
+Cc1nnc(nn1)c2ccc(cc2)C[C@@H](C(=O)O)N	DJD	4-(6-methyl-1,2,4,5-tetrazin-3-yl)-l-phenylalanine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)O	DJE	2-acetamido-2-deoxy-alpha-d-galactopyranuronic acid
+[B-]12(c3c(cccc3OCCCO)CO1)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	DJF	[(1s,5r,6r,8r)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate
+Cc1cccc2c1C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F	DJH	2-[1'-(1~{h}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@H](P(=O)(O)O)Cl)O)O	DJJ	5'-o-[(r)-{[(r)-[(s)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine
+C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	DJK	n-[4-(3-bromo-phenylamino)-quinazolin-6-yl]-acrylamide
+CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH3+]	DJL	(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propan-1-aminium
+Cc1cc(cc(c1)n2ccnc2SCC(=O)NO)C	DJM	2-{[1-(3,5-dimethylphenyl)-1h-imidazol-2-yl]sulfanyl}-n-hydroxyacetamide
+CC(=O)N[C@H]1CN[C@@H]([C@@H]([C@@H]1O)O)CO	DJN	n-[(3s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
+c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2CO	DJO	(phenylmethyl) (2s)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
+c1c(cnc(n1)O)F	DJP	5-fluoropyrimidin-2-ol
+c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)Cc6nc(no6)C7CC7	DJQ	3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{h}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	DJR	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]carbamate
+CC[C@H](C)Nc1cc(cc(n1)S(=O)(=O)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H]([C@H]3CCCN3)O	DJS	2-{[(2s)-butan-2-yl]amino}-n-{(1r,2s)-1-hydroxy-3-phenyl-1-[(2r)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)F)S(=O)(=O)c5ccccc5Cl	DJT	(2s,4r)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+CN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3	DJU	n,n-dimethyl-1-(5-phenylmethoxy-1h-indol-3-yl)methanamine
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2C[C@H](CN2)OCC3CCCCC3)O	DJV	n-[(1r,2s)-1-[(2r,4r)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide
+COc1ccc2c(n1)C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)N6CCC[C@H]6C(F)(F)F	DJW	1-(1~{h}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{s})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one
+CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccncc4	DJX	n-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
+[H]/N=C(\c1ccc(cc1)NC(=O)c2cc(c(cc2c3ccc(nc3C(=O)O)C(=O)NCC4CC4)OC)C=C)/N	DJY	3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid
+Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)Cc4ccc(cc4)S(=O)(=O)C)C)C#N	DJZ	3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile
+C[C@H](Cc1ccccc1)O	DK0	(2~{r})-1-phenylpropan-2-ol
+c1c(cc(c2c1nc(cc2O)C(=O)O)Cl)Cl	DK1	5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid
+c1cc(ccc1C[C@H](C(=O)O)N2C(=O)c3ccc(cc3C2=O)C(=O)O)O	DK2	2-[(1r)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxoisoindoline-5-carboxylic acid
+CCCCCCCCC[C@@H](CC(=O)OC)O	DK3	methyl (3s)-3-hydroxydodecanoate
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O)F	DK4	1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3C[C@H]([C@@H]([C@H](O3)CO)O)F	DK5	1-(2,3-dideoxy-3-fluoro-beta-d-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1h)-one
+CCC(O)O	DK6	propane-1,1-diol
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2CO[C@H](CN2)OCC3CCCCC3)O	DK7	n-[(1s,2s)-1-[(3r,6r)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C)/C)/C)C	DK8	2-[(2~{e},6~{e},10~{z},14~{e},18~{e},22~{e},26~{e})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
+CCCCC(O)O	DK9	pentane-1,1-diol
+CCCCCCCCCC(=O)O	DKA	decanoic acid
+c1ccc(cc1)CCc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O	DKD	(2s)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid
+CC1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H](C4([C@H]1O4)C)OC(=O)CCCCc5cn(nn5)CCCNC(=O)c6ccc(c(c6)C7=C8C=CC(=O)CC8=Oc9c7ccc(c9)O)C(=O)O)C)\C)OC)(NC(=O)O2)O	DKE	fcmaytansine
+CCCCCC(O)O	DKF	hexane-1,1-diol
+Cc1ccnnc1	DKG	4-methylpyridazine
+Cc1ccc(cc1NS(=O)(=O)C)c2cc(c3nnc(n3n2)C)NC(=O)CCNC(=O)C(CN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NC(CN)C(=O)NCC(=O)[N]c4[c]c(nn5c4nnc5[C])c6[c][c]c(c([c]6)[N]S(=O)(=O)[C])[C]([C])[C]	DKH	3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{n}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide
+c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F	DKI	5-amino-3-{[4-(aminosulfonyl)phenyl]amino}-n-(2,6-difluorophenyl)-1h-1,2,4-triazole-1-carbothioamide
+C[C@H]1[C@@H](OC[C@@H](N1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)C)O)OCC(C)(C)C	DKJ	n-{(1s,2s)-3-(3,5-difluorophenyl)-1-[(3r,5s,6r)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide
+[H]/N=C(\N)/NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccn2)(F)F)C#N	DKK	n-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide
+CCCCCCC(O)O	DKL	heptane-1,1-diol
+CN1CC2=CSC3=C(C(=O)c4cc(c(c1c4N23)N5C[C@@H]([C@H](C5)O)N(C)C)F)C(=O)O	DKM	5-[(3s,4s)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8h-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid
+C/C=C/[C@H](O)[C@](C(=O)OC)([C@H]1OC(=O)c2nc(oc2)/C=C/C=C/C=C\C[C@H](OC(=O)c3nc(oc3)/C=C/C=C/C=C\C1)[C@@](C(=O)OC)([C@@H](O)/C=C/C)C)C	DKN	disorazole z
+CCCCCCCC(O)O	DKO	octane-1,1-diol
+CCCO[C@H](c1ccccc1Cl)c2cc3c([nH]2)c(ccn3)C(=O)O	DKP	2-[(r)-(2-chlorophenyl)(propoxy)methyl]-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+[H]/N=C(/c1ccc(cc1)Cl)\N	DKQ	4-chloranylbenzenecarboximidamide
+Cc1ccc(cc1)CNC(=O)c2ccc[nH]2	DKR	n-[(4-methylphenyl)methyl]-1h-pyrrole-2-carboxamide
+c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCC(CC4)(F)F)Cl	DKS	2-{(s)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3CCCCC3)C(=O)O	DKT	4-[2-(3-benzyloxycarbonylamino-4-cyclohexyl-1-hydroxy-2-oxo-butylamino)-5-guanidino-pentanoylamino]-4-(1-carboxy-2-cyclohexyl-ethylcarbamoyl)-butyric acid
+Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccccc5C4=O	DKU	3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
+c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCC4CCC(CC4)(F)F)Cl	DKV	2-{(s)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+C#CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	DKW	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-prop-2-ynyl-oxolane-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O	DKX	1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)F)O	DKY	1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1h)-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O	DKZ	4-amino-1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)pyrimidin-2(1h)-one
+Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccc(cc5C4=O)Cl	DL0	6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
+COc1cc(ccc1NC(=O)c2cccc(n2)c3ccn[nH]3)N4CCOCC4	DL1	n-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1h-pyrazol-5-yl)pyridine-2-carboxamide
+c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)CC4=NC(=O)C(=CC4)Cl	DL2	5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{h}-pyridin-6-one
+CNc1nccc(n1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5	DL3	~{n}1-[(4-chlorophenyl)methyl]-~{n}1-cyclopentyl-~{n}4-[[2-(methylamino)pyrimidin-4-yl]methyl]-~{n}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide
+C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	DL4	(14beta,17alpha,25r)-3-oxocholest-4-en-26-oic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N	DL5	spiro(2,4,6-trinitrobenzene[1,2a]-o2',o3'-methylene-adenosine (beta,gamma-methylene)triphosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CN=[N+]=[N-])O)O)O)O	DL6	n-(azidoacetyl)-beta-d-glucopyranosylamine
+C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C	DL7	(5beta,14beta,17alpha,25r)-3-oxocholest-7-en-26-oic acid
+c1ccc(cc1)c2cn(nn2)CC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	DL8	n-[(4-phenyl-1h-1,2,3-triazol-1-yl)acetyl]-beta-d-glucopyranosylamine
+c1ccc(cc1)/C(=C(\c2ccc(cc2)C3CCN(CC3)C4CC4)/c5ccc(cc5)O)/CCCO	DL9	(e)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol
+C[C@H](C(=O)O)O	DLA	d-lactic acid
+CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccc(cc4O3)CCC(=O)O	DLB	3-[1'-[(2~{s})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid
+C[C@H]1/C(=C\C=C\2/C[C@H](C[C@@H](C2=C)O)O)/CCC[C@]1(C)[C@H](C)[C@H](C)C[C@H]3C[C@@](C(=O)N3CCc4ccccc4)(C)O	DLC	(3r,5s)-5-{(2r,3r)-3-[(1r,2s,3z)-3-{(2e)-2-[(3s,5r)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-1,2-dimethylcyclohexyl]-2-methylbutyl}-3-hydroxy-3-methyl-1-(2-phenylethyl)pyrrolidin-2-one
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)OCCN=[N+]=[N-])CO)CO)O)O	DLD	2-azidoethyl 2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]-2-deoxy-beta-d-glucopyranoside
+CC(C)C[C@H](C(=O)O)N	DLE	d-leucine
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O)O)O	DLF	2-deoxy-alpha-l-fucopyranose
+CCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O	DLG	hexyl 3-deoxy-beta-d-galactopyranoside
+c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl	DLH	2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone
+CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F	DLI	(3r,4s)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
+CN1CCC[C@@H]1CCO[C@@H](c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O	DLJ	2-[(s)-(2-chlorophenyl){2-[(2r)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+CC(=C1C(=O)CC(CC1=O)c2ccccc2)Nc3ccccc3OC	DLK	2-{1-[(2-methoxyphenyl)amino]ethylidene}-5-phenyl-1,3-cyclohexanedione
+c1ccc(cc1)CC(=O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	DLL	5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine
+c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O	DLM	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium
+CC(C)n1c2c(c(n1)C#Cc3cccc(c3)O)c(ncn2)N	DLN	3-{[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol
+CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	DLP	1,2-dilinoleoyl-sn-glycero-3-phosphocholine
+c1ccc(cc1)CN2[C@H](SCC2=O)c3ccc4c(c3)cn[nH]4	DLR	(2r)-3-benzyl-2-(1h-indazol-5-yl)-1,3-thiazolidin-4-one
+CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)C	DLS	di-acetyl-lysine
+C[N+](C)(CCCC(=O)O)CCF	DLT	3-carboxy-n-(2-fluoroethyl)-n,n-dimethylpropan-1-aminium
+C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O	DLU	(4r,12as)-n-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
+CCOc1ccccc1/N=C(\C)/C2=C(C[C@@H](CC2=O)c3ccccc3)O	DLW	(5~{s})-2-[(~{e})-~{n}-(2-ethoxyphenyl)-~{c}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one
+C[C@H](CCCC(C)C)CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C	DLX	2-[(2~{e},6~{e},10~{z},14~{z},18~{z},23~{r})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione
+C(CCN)C[C@H](C(=O)O)N	DLY	d-lysine
+CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C	DLZ	1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl)-d-ribitol
+CN(C)CCCC[C@@H](C(=O)O)N(C)C	DM0	n~2~,n~2~,n~6~,n~6~-tetramethyl-l-lysine
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O	DM1	daunomycin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O	DM2	doxorubicin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O	DM3	6-deoxydaunomycin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)O)O)(C(=O)CO)O)N)O	DM4	1-o-demethyl-6-deoxydoxorubicin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N)O	DM5	idarubicin
+C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[NH3+])O	DM6	4'-epidoxorubicin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[NH3+])I	DM7	4'-deoxy-4'-iododoxorubicin
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)Br)N)O	DM8	2'-bromo-4'-epidaunorubicin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)c(c5cccc(c5c4O)OC)O)O)(C(=O)C)O)[N@@](CCOC)CO)O	DM9	n-hydroxymethyl-n-(2-methoxyethyl)-daunomycin
+CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C	DMA	dimethylallyl diphosphate
+Cc1cc(cc(c1O)C)N=Nc2ccccc2C(=O)O	DMB	2-((3',5'-dimethyl-4'-hydroxyphenyl)azo)benzoic acid
+CCN(CC)c1ccc(c(c1)O)\C=C(/C)\C(=O)O	DMC	3-(4-diethylamino-2-hydroxy-phenyl)-2-methyl-propionic acid
+Cc1cc2c(cc1C)nc[nH]2	DMD	5,6-dimethylbenzimidazole
+C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C	DME	decamethonium ion
+CN(C)C=O	DMF	dimethylformamide
+CN(C)CC(=O)O	DMG	n,n-dimethylglycine
+CN(C)C(=O)C[C@@H](C(=O)O)N	DMH	n4,n4-dimethyl-asparagine
+Cc1[nH+]ccn1C	DMI	2,3-dimethylimidazolium ion
+C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O	DMJ	1-deoxymannojirimycin
+CC(C)([C@@H](C(=O)O)N)C(=O)O	DMK	3,3-dimethyl aspartic acid
+[CH3].[CH3]	DML	terminal dimethyl
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[N@]6CCO[C@@H](C6)OC)O	DMM	3'-desamino-3'-(2-methoxy-4-morpholinyl)-doxorubicin
+CNC	DMN	dimethylamine
+C(CC(C(F)F)(C(=O)O)N)CN	DMO	alpha-difluoromethylornithine
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O	DMP	[4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-[1,3-bis([4-hydroxymethyl-phenyl]methyl)-4,7-bis(phen ylmethyl)]-2h-1,3-diazepinone
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)N)Cc4cccc(c4)N)Cc5ccccc5)O)O	DMQ	[4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([(3-amino)phenyl]methyl)-4,7-bis(phenylmethyl)-2h-1,3-diazepinone
+C([C@H](C(=O)O)O)C(=O)O	DMR	2-hydroxy-succinic acid
+CS(=O)C	DMS	dimethyl sulfoxide
+C\C=C\CC(C)(C)[C@H]([C@@H](C(=O)O)NC)O	DMT	3-hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid
+CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	DMU	decyl-beta-d-maltopyranoside
+CC[C@](C)([C@H](C(=O)O)O)O	DMV	2,3-dihydroxy-valerianic acid
+CC1=C(C(=O)c2ccccc2C1=O)C	DMW	2,3-dimethyl-1,4-naphthoquinone
+C[N+](C)(CCCS(=O)(=O)[O-])Cc1ccccc1	DMX	3-[benzyl(dimethyl)ammonio]propane-1-sulfonate
+Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=N)N)NC=O	DMY	distamycin a
+Cc1ccc(cc1)S(=O)(=O)[N@](C)c2ccnn2c3ccccc3	DMZ	4-methyl-n-methyl-n-(2-phenyl-2h-pyrazol-3-yl)benzenesulfonamide
+C1CO[C@@H]([C@H]1O)COP(=O)(O)O	DN	unknown 2'-deoxynucleotide
+c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCOCC4	DN0	2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{n}-(phenylmethyl)ethanamide
+CC(C)CC(C(=O)N[C@H](CC(F)F)[C@H](C(=O)O)O)NC(=O)[C@]1(Cc2ccccc2N1)Cc3ccsc3C(=O)O	DN1	3-({(2s)-2-[({(1r)-1-[({(1r)-1-[(r)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carb onyl]-2,3-dihydro-1h-indol-2-yl}methyl)thiophene-2-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](CC(F)F)[C@H](C(=O)O)O)NC(=O)[C@]1(Cc2ccccc2N1)Cc3ccsc3C(=O)O	DN2	3-({(2s)-2-[({(1s)-1-[({(1s)-1-[(r)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carbonyl]-2,3-dihydro-1h-indol-2-yl}methyl)thiophene-2-carboxylic acid
+CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3	DN3	3-[(dimethylamino)methyl]-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)O	DN4	[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
+CC(C)[C@@H](c1ccc(c(c1)Cl)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3	DN5	(2~{s})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3	DN6	n-[3-(1h-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
+c1ccnc(c1)Oc2ccc(cc2)C(=O)O	DN7	4-[(pyridin-2-yl)oxy]benzoic acid
+c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3	DN8	3-bromo-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCNC(=O)C[C@](CC(=O)O)(C(=O)O)O)O	DN9	(2~{s})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
+c1ccc2c(c1)c(cc(c2O)C(=O)O)O	DNA	1,4-dihydroxy-2-naphthoic acid
+c1cc(c(cc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N)N	DNB	(2s,3s,4r,5r)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
+c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-]	DNC	3,5-dinitrocatechol
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O	DND	nicotinic acid adenine dinucleotide
+CCCC[C@H](C(=O)O)N	DNE	d-norleucine
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O	DNF	2,4-dinitrophenol
+CCCC[C@H](C(=O)O)NC=O	DNG	n-formyl-d-norleucine
+C1CC[C@H]([C@@H](C1)N)N	DNH	1r,2r-diaminocyclohexane
+C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O	DNJ	1-deoxy-nojirimycin
+CC(C)[C@@H](c1ccccc1)C(=O)N2CCC3(CC2)Oc4ccccc4O3	DNK	(2~{s})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+C(CCC=O)CCN	DNL	6-amino-hexanal
+CCCC[C@H](C(=O)O)NC	DNM	n-methyl-d-norleucine
+C[C@@H]([C@@H](CCCCCC(=O)O)N)N	DNN	7,8-diamino-nonanoic acid
+C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O	DNO	d-mannose
+C([C@@H](C(=O)O)N)[NH3+]	DNP	3-amino-alanine
+C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-]	DNQ	6,7-dinitroquinoxaline-2,3-dione
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=[NH+]C2=O)N)COP(=O)(O)O)O	DNR	2'-deoxy-n3-protonated cytidine-5'-monophosphate
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@@H](C(=O)O)N	DNS	n~6~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-l-lysine
+CCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]	DNT	2-[1-methylhexyl]-4,6-dinitrophenol
+Cn1ccnc1CCO[C@@H](c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O	DNV	2-{(s)-(2-chlorophenyl)[2-(1-methyl-1h-imidazol-2-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NC[C@@H](C(=O)O)N	DNW	3-[(2,4-dinitrophenyl)amino]-l-alanine
+c1cc(c(cc1O)[N+](=O)[O-])[N+](=O)[O-]	DNX	3,4-dinitrophenol
+c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCCN4CCCCC4)Cl	DNY	2-{(s)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+C[C@@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)N	DNZ	(2~{r},3~{s})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+c1ccc(c(c1)[C@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl	DO1	2-{(r)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+C(CC(C=O)(O)O)[C@@H](C(=O)O)N	DO2	5,5-dihydroxy-6-oxo-l-norleucine
+C[C@H](CN1CC[N@](CCN(CC[N@](CC1)CC(=O)O)CC(=O)O)CC(=O)O)O	DO3	10-((2r)-2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane 1,4,7-triacetic acid
+C(CC(=O)C(=O)O)C=O	DO4	2,5-dioxopentanoic acid
+C[C@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)O	DO5	(2~{r},3~{r})-2-(4-chlorophenyl)-3-oxidanyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+Cc1c(c2ccc(c(c2o1)O)OC)C(=O)c3cc(c(c(c3)OC)OC)OC	DO6	(6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O	DO7	[(2s,3s,4s,5r,6s)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
+C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](COP(=O)(O)O)O)O)O	DO8	3-deoxy-8-o-phosphono-alpha-d-manno-oct-2-ulopyranosonic acid
+c1cc(ccc1C#N)NC(=S)NCc2cnc3n2c(cs3)C#CC4CC4	DO9	1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea
+C(CCCCCC(=O)O)CCCCCN	DOA	12-amino-dodecanoic acid
+c1cc(c(cc1O)O)C(=O)O	DOB	2,4-dihydroxybenzoic acid
+C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=NC2=O)N	DOC	2',3'-dideoxycytidine-5'-monophosphate
+[2H]O[2H]	DOD	deuterated water
+c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)CSCCO	DOE	(s)-2-(4-(2-(2-hydroxyethylthio)-acetamido)-benzyl)-1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate
+c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)[N+](=O)[O-]	DOF	(s)-2-(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O	DOG	digoxigenin
+[C@H]([C@@H](C(=O)O)O)(C(=O)O)N	DOH	beta-hydroxy aspartic acid
+c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	DOI	9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-(phosphonooxy)-9h-purine
+C[C@@H](O)O[C@H]1CN(CC[C@@H]1NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3ccccc3	DOJ	n-{(3s,4s)-1-benzyl-3-[(1s)-1-hydroxyethoxy]piperidin-4-yl}-n'-[3-(trifluoromethyl)phenyl]urea
+CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3	DOK	(2~{s})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](\C=C\C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc3nc(co3)C2=O)O)/C)C)C(C)C	DOL	5-(2-diethylamino-ethanesulfonyl)-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triaza-tricyclo[23.2.1.00,255]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetraone
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	DOM	2'-deoxymaltose
+C(CC(=O)CN=N)[C@@H](C(=O)O)N	DON	6-diazenyl-5-oxo-l-norleucine
+Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@H]6CCN[C@H]6C5	DOO	6-fluoro-4-[(3ar,6ar)-hexahydropyrrolo[3,4-b]pyrrol-5(1h)-yl]-n-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9h-pyrimido[4,5-b]indol-8-amine
+CCCCCCCCOP(=O)(O)OCCCCCCCC	DOP	dioctylphosphate
+C[C@H](\C=C\C=C(\C)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O	DOQ	(2s,3s,4s)-2-carboxy-4-[(1z,3e,5r)-5-carboxy-1-methyl-1,3-hexadienyl]-3-pyrrolidineacetic acid
+C1[C@H](NC(=O)NC1=O)C(=O)O	DOR	(4s)-2,6-dioxohexahydropyrimidine-4-carboxylic acid
+c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=CC=CC=C6C7=CC=CC=[N]37	DOS	delta-bis(2,2'-bipyridine)imidazole osmium (ii)
+c1ccc(c(c1)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N)N	DOT	3'anthraniloyl-2'-deoxy-adenosine-5'-triphosphate
+CN1CCN(CC1)[C@@H]2CC[C@@H]3[C@@H](C2)N[C@@H](N3)[C@@H]4[C@H]([C@H]5[C@@H](CCC[C@@H]5F)NC4=O)N	DOV	1-amino-5-fluoro-3-(6-(4-methylpiperazin-1-yl)-1h-benzo[d]imidazol-2-yl)quinolin-2(1h)-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O	DOW	(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-glucopyranoside
+C1COCCO1	DOX	dioxane
+c1ccc(cc1)[C@@H]2CC(=O)N(c3ccccc3S2)CC(=O)O	DOY	[(2s)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2h)-yl]acetic acid
+CN(C)[Zn]O	DOZ	(dimethylamino)(hydroxy)zinc'
+C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=NC3=O)N)COP(=O)(O)O)O	DP	[(2~{r},3~{s},5~{r})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CC(C)N(CC[C@](c1ccccc1)(c2ccccn2)C(=O)N)C(C)C	DP0	disopyramide
+C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-]	DP1	l-n(omega)-nitroarginine-2,4-l-diaminobutyric amide
+C(CCN)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N	DP2	l-lysyl-n~5~-[(z)-(2,2-dihydroxyhydrazino)(imino)methyl]-l-ornithinamide
+C(C[C@@H](CNCCN)N)CNC(=N)N[N+](=O)[O-]	DP3	n-{(4s)-4-amino-5-[(2-aminoethyl)amino]pentyl}-n'-nitroguanidine
+C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-]	DP4	(1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)S[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)S)CO)CO)O)O)S)O	DP5	1,4-dimercapto-alpha-d-glucopyranosyl-(1-4)-s-1,4-dimercapto-beta-d-glucopyranosyl-(1-4)-s-1,4-dimercapto-beta-d-glucop  yranose
+C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O	DP6	(3r)-3-hydroxy-5-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid
+[H]/N=C(/N)\NCCC[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C	DP7	ac-(d)phe-pro-boroarg-oh
+CN(C)CCOc1ccc(cc1)Oc2ccccc2	DP8	n,n-dimethyl-2-(4-phenoxyphenoxy)ethanamine
+C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N	DP9	l-n(omega)-nitroarginine-(4r)-amino-l-proline amide
+COc1cc(c(cc1OC)NC(=O)C(=C)OC)C=O	DPA	4,5-dimethoxy-n-(2'-methoxypropenoyl anthranilate)
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]3[C@@H](O2)CO[C@](O3)(c4ccccc4)P(=O)(O)O	DPB	(s)-1-[2'-deoxy-3',5'-o-(1-phosphono)benzylidene-b-d-threo-pentofuranosyl]thymine
+CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N)NC(=O)C	DPC	5-acetylamino-4-amino-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4h-pyran-2-carboxylic acid
+CCCCOc1ccc(cc1OCCCC)[C@@H](C)NCCCNCCC(c2ccccc2)c3ccccc3	DPD	n-(3,3,-diphenylpropyl)-n'-[1-r-(2 3,4-bis-butoxyphenyl)-ethyl]-propylenediamine
+CCCCCCCCCCC[P@@H](=O)OC	DPE	n-undecanylphosphonate methyl ester group
+CCOP(=O)(O)OCC	DPF	diethyl hydrogen phosphate
+CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](COP(=O)(O)O)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C	DPG	phosphoric acid 2,3-bis-(3,7,11,15-tetramethyl-hexadecyloxy)-propyl ester 2-hydroxo-3-phosphonooxy-propyl ester
+C[C@@H](Cc1ccccc1)C(=O)O	DPH	deamino-methyl-phenylalanine
+CCOP(=S)(O)OCC	DPJ	o,o-diethyl hydrogen thiophosphate
+C[C@H](Cc1ccccc1)N(C)CC=C	DPK	deprenyl
+C1[C@H](NCC1=O)C(=O)O	DPL	4-oxoproline
+Cc1c(c(c([nH]1)Cc2c(c(c[nH]2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	DPM	3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic acid
+c1ccc(cc1)C[C@H](C(=O)O)N	DPN	d-phenylalanine
+[O-]P(=O)([O-])OP(=O)([O-])[O-]	DPO	diphosphate
+C([C@@H](C(=O)O)N)N	DPP	diaminopropanoic acid
+C1C=C(C(=O)C=C1C[C@@H](C(=O)O)N)O	DPQ	(s)-2-amino-3-(4-hydroxy-3-oxocyclohexa-1,4-dienyl)propanoic acid
+C1C[C@@H](NC1)C(=O)O	DPR	d-proline
+c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O	DPS	3-(1h-indol-3-yl)-2-[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-propionic acid
+Cc1ccnc2c1ccc3c2nccc3C	DPT	4,7-dimethyl-[1,10]phenanthroline
+C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)OP(=O)(O)O)N	DPU	mixed carbamic phosphoric acid anhydride of 7,8-diaminononanic acid
+CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C	DPV	dodecyl 2-(trimethylammonio)ethyl phosphate
+CCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C	DPW	decyl 2-trimethylazaniumylethyl phosphate
+Cc1ncc(c(n1)N)CN/C(=C(/[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O)\S)/C	DPX	mono-{4-[(4-amino-2-methyl-pyrimidin-5-ylmethyl)-amino]-2-hydroxy-3-mercapto-pent-3-enyl-phosphono} ester
+c1cc(nc(c1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C(=O)O)C(=O)O	DPY	2-deoxyribofuranosyl-pyridine-2,6-dicarboxylic acid-5'-monophosphate
+c1c(cc(c2c1C(=O)NNC2=O)N)N	DPZ	3,5-diaminophthalhydrazide
+c1cc(cc(c1)Cl)c2c(nc(nc2N)N)COc3cccc(c3)OCCCC(=O)O	DQ0	4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid
+CCOC(=O)CCCOc1cc(ccc1OC)NCc2ccc3c(c2)c(nc(n3)N)N	DQ1	ethyl 4-(5-{[(2,4-diaminoquinazolin-6-yl)methyl]amino}-2-methoxyphenoxy)butanoate
+c1nc(c2c(n1)n(c(n2)SCCC(=O)NCCN)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	DQ2	[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium
+c1ccc(cc1)OCCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl	DQ3	5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N/O)O	DQ5	2-[(~{e})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol
+Cc1cccc(c1)C(CC[C@@H](C(=O)O)N)(c2ccccc2)c3ccccc3	DQ6	(2s)-2-amino-5-(3-methylphenyl)-5,5-diphenylpropanoic acid
+Cc1cccc(c1)C(CC[C@H](C(=O)O)N)(c2ccccc2)c3ccccc3	DQ7	(2r)-2-amino-5-(3-methylphenyl)-5,5-diphenylpropanoic acid
+CC(=O)c1cccc(c1)C(c2ccccc2)(c3ccccc3)SCCN	DQ8	1-(3-{[(2-aminoethyl)sulfanyl](diphenyl)methyl}phenyl)ethanone
+c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCC(=O)O	DQ9	2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid
+C1[C@H]([C@@H](C(=O)C[C@]1(C(=O)O)O)O)O	DQA	1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid
+c1cc(ccc1C(=O)NCCCC(=O)O)NCc2ccc3c(c2)C(=O)NC(=N3)N	DQB	4-[(4-{[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]amino}benzoyl)amino]butanoic acid
+CCCN1CCC(CC1)N(Cc2ccc3c(c2)OCO3)C(=O)Nc4cccc(c4)C(F)(F)F	DQD	n-[(2h-1,3-benzodioxol-5-yl)methyl]-n-(1-propylpiperidin-4-yl)-n'-[3-(trifluoromethyl)phenyl]urea
+c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCCCC(=O)O	DQF	4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid
+c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl	DQG	2-{(s)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O	DQH	(2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one
+CC(C)c1cc(n[nH]1)C(=O)N2CC[C@@H](C2)NC(=O)C3CC3	DQJ	n-{(3s)-1-[5-(propan-2-yl)-1h-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
+c1ccc2cc(ccc2c1)S[C@@H](CC(=O)NCCCC[C@@H](C=O)N)C(=O)O	DQK	(2~{s})-4-[[(5~{s})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid
+c1c(cc2c(c1O)nc(s2)N)S	DQL	2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol
+C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N	DQM	(2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{s},5~{s})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CC1=C(C(=O)C(=C(C1=O)C)C)C	DQN	duroquinone
+c1cc(c(c(c1)Cl)N2c3cc(cc(c3CNC2=O)c4ccc(cc4F)F)N5CCNCC5)Cl	DQO	1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperazin-1-yl-3,4-dihydroquinazolin-2(1h)-one
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2Br)Br)Br)Br)Br	DQP	{5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid
+C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O	DQQ	2,5-dideoxy-2,5-imino-d-mannitol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O	DQR	beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl alpha-d-glucopyranoside
+CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C(C)(C)C	DQS	5-(1-tert-butyl-1h-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)c3ccc(cc3)C)OC)CO)O	DQT	methyl 3-deoxy-2-o-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-d-talopyranoside
+c1cc2c(cc1N)c(nc(n2)N)O	DQU	2,6-diamino-3h-quinazolin-4-one
+c1cc(cc(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	DQV	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5s)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+C[C@@H](COC[C@H](C)O)O	DQW	(2~{s})-1-[(2~{s})-2-oxidanylpropoxy]propan-2-ol
+c1cc(c2c(c1)ncc(n2)c3cnn(c3)C4CCNCC4)c5cc(c(c(c5)F)CN6CCOCC6)F	DQX	8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1h-pyrazol-4-yl)quinoxaline
+CS(C)CCC(=O)O	DQY	3-(dimethyl-lambda~4~-sulfanyl)propanoic acid
+c1cc(ccc1CCC(=O)O)Br	DQZ	3-(4-bromophenyl)propanoic acid
+CCCCCC[N+](C)(C)CO	DR0	n-(hydroxymethyl)-n,n-dimethylhexan-1-aminium
+Cn1c2ccccc2cc-3nc4ccccc4c13	DR1	5-methyl-5h-indolo[3,2-b]quinoline
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O)O)O)O	DR2	6-deoxy-alpha-l-idopyranosyl-(1->2)-alpha-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-l-gulopyranose
+CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3O)CO)O)NC(=O)C)CO)O)O)O)O)O	DR3	6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+COC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	DR4	methyl 9-(beta-d-talopyranosyloxy)nonanoate
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O	DR5	methyl 4-o-l-glucopyranosyl-alpha-l-ribo-hexopyranoside
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	DR6	alpha-[4-(1,1,3,3 - tetramethylbutyl)phenyl]-omega-hydroxy-poly(oxy-1,2-ethanediyl)
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC	DR7	(3s,8s,9s,12s)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5, 6,10,13-pentaazatetradecanedioic acid dimethyl ester
+CC#CC#CC#C[N+](C)(C)C	DR8	n,n,n-trimethylhepta-1,3,5-triyn-1-aminium
+CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC\C=C/CCCCCC	DR9	1-cis-9-octadecanoyl-2-cis-9-hexadecanoyl phosphatidyl glycerol
+CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@H](O7)C)O)N(C)C)O	DRA	11-deoxy-beta-rhodomycin
+CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3	DRB	delta-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c9-adamantane ruthenium (ii)
+c1ccc2c(c1)c(c3cccc(c3n2)C(=O)NCCN4CCOCC4)N	DRC	9-amino-n-[2-(4-morpholinyl)ethyl]-4-acridinecarboxamide
+CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3cccc4OC(C)(C)C(=O)O)C(=O)c5ccccc5	DRD	2-[(1-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1h-indol-4-yl)oxy]-2-methylpropanoic acid
+C(CCCNCCCCCCN)CCN	DRE	n-(6-aminohexyl)hexane-1,6-diamine
+CCO[C@@H](Cc1ccc(cc1)OCCN2c3ccccc3Oc4c2cccc4)C(=O)O	DRF	(2s)-2-ethoxy-3-{4-[2-(10h-phenoxazin-10-yl)ethoxy]phenyl}propanoic acid
+c1ccc-2c(c1)CCc3c2nnc(c3)N	DRG	5,6-dihydro-benzo[h]cinnolin-3-ylamine
+CCCCCCC[N@@](CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)c2nc3ccccc3o2	DRH	(2s)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)OC	DRI	2,6-dideoxy-4-o-methyl-beta-d-glucopyranose
+CCCCCCCN(CCc1ccc(cc1)O[C@](C)(CC)C(=O)O)c2nc3ccccc3o2	DRJ	(2r)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid
+c1ccc2c(c1)c(c([nH]2)C3=C4C=CC=CC4=NC3=O)NOCC[C@@H](CO)O	DRK	3-({[(3s)-3,4-dihydroxybutyl]oxy}amino)-1h,2'h-2,3'-biindol-2'-one
+CC1=NC2=C(CSCC2)C(=O)N1	DRL	2-methyl-3,5,7,8-tetrahydro-4h-thiopyrano[4,3-d]pyrimidin-4-one
+C1C[C@H]([C@@H](C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O	DRM	{[(1r,2s)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}methylphosphonic acid
+[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C	DRN	bisindolylmaleimide ix
+Cc1c(c(nn1c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C(=O)N(c5ccccc5)c6ccccc6)Cl	DRO	1-(2-{[(3s)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}phenyl)-4-chloro-5-methyl-n,n-diphenyl-1h-pyrazole-3-carboxamide
+c1cc(cnc1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	DRP	2-deoxyribofuranosyl-pyridine-5'-monophosphate
+CC/C=C\c1cc2c(cc1O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C	DRQ	(9alpha,13beta,17beta)-2-[(1z)-but-1-en-1-yl]estra-1,3,5(10)-triene-3,17-diol
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC(=O)[C@@H]3Cc4ccc(cc4)OCCCCC(=O)N[C@H](C(=O)N3)C(C)C	DRR	(9s,12s)-9-(1-methylethyl)-n-[(8s,11s)-8-[(1s)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide
+CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc(cc2)OCCCCC(=O)N1)C(=O)O	DRS	(9s,12s)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O	DRT	2'-deoxy-l-ribo-furanosyl thymine-5'-monophosphate
+c1cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=CC=CC=C6C7=CC=CC=[N]37	DRU	delta-bis(2,2'-bipyridine)imidazole ruthenium (ii)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N	DRV	[(2s,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (aminoacetyl)sulfamate
+C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N	DRW	(2s,3r,4s)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+c1ccc2cc(ccc2c1)NC(=O)[C@H](c3csc4c3cc(cc4)Cl)P(=O)(O)O	DRX	[(1s)-1-(5-chloro-1-benzothien-3-yl)-2-(2-naphthylamino)-2-oxoethyl]phosphonic acid
+CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3ccc(c4)OCC(=O)O)C(=O)c5ccccc5	DRY	[(1-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1h-indol-5-yl)oxy]acetic acid
+C(C=O)[C@@H]([C@@H](COP(=O)(O)O)O)O	DRZ	3',4'-dihydroxy-pentanal-5'-phosphate
+C1[C@H](C(=NO1)OP(=O)(O)O)N	DS0	[(4r)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate
+c1c(cnc(n1)N)O	DS1	2-aminopyrimidin-5-ol
+CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)O	DS2	{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetic acid
+CCC(CC)(c1ccc(c(c1)C)OCCCCC(=O)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O	DS3	5-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}pentanoic acid
+CCC(CC)(c1ccc(c(c1)C)/C=C/C(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)c3ccc(c(c3)F)CC(=O)O	DS4	[3-fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)biphenyl-4-yl]acetic acid
+CCC(CC)(c1ccc(c(c1)C)C#CC(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O	DS5	(4s)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-yn-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid
+CCC(CC)(c1ccc(c(c1)C)CC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O	DS6	(4s)-4-hydroxy-5-[4-(3-{4-[(3s)-3-hydroxy-4,4-dimethylpentyl]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]pentanoic acid
+Cc1cc(c(n1C)C)C(=O)O	DS7	1,2,5-trimethyl-1h-pyrrole-3-carboxylic acid
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O	DS8	(2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{s},4~{r},6~{r})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
+C[C@]12CCCN1CC3=NNC(=O)c4cc(cc5c4c3c2[nH]5)F	DS9	(2r)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one
+C[C@H]1CN(c2c1c3cc([nH]c3c(c2)O)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC	DSA	4-hydroxy-8-methyl-6-(4,5,6-trimethoxy-1h-indole-2-carbonyl)-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester
+C(CC(=O)CCC(=O)O)C(=O)CCC(=O)O	DSB	4,7-dioxosebacic acid
+CCCCCCCCCCCCS(=O)(=O)[O-]	DSC	dodecanesulfonate ion
+C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N	DSD	7-(carboxyamino)-8-amino-nonanoic acid
+CN[C@H](CO)C(=O)O	DSE	n-methyl-d-serine
+[C@H](C(F)(F)F)(OC(F)F)F	DSF	(2s)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane
+C([C@H](C(=O)O)N)C(=O)N	DSG	d-asparagine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCN)O)O)N	DSH	5'-s-(3-aminopropyl)-5'-thioadenosine
+C[C@@H]1CN(c2c1c3cc([nH]c3c(c2)O)C(=O)OC)C(=O)c4cc5ccccc5[nH]4	DSI	4-hydroxy-6-(1h-indole-2-carbonyl)-8-methyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester
+CC(=O)c1ccc(cc1O)N	DSJ	1-(4-amino-2-hydroxyphenyl)ethan-1-one
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O)CO)O)O	DSK	(2r,3s,4s)-1-[(2s,3s,4r,5r,6s)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name)
+CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C	DSL	mono-trans, octa-cis decaprenyl-phosphate
+CNCCCN1c2ccccc2CCc3c1cccc3	DSM	3-(10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)-n-methylpropan-1-amine
+C([C@H](C(=O)O)N)O	DSN	d-serine
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4	DSO	adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide
+C([C@H](C(=O)O)N)C(=O)O	DSP	d-aspartic acid
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O	DSQ	(2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{r},3~{s},4~{r},6~{r})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)S	DSR	2,6-dideoxy-4-thio-beta-d-allopyranose
+CSC[S@@](=O)C	DSS	methyl methylsulfinylmethyl sulfide
+CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C	DST	dimethylallyl s-thiolodiphosphate
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)OC)O)O)O)O)O	DSU	((2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-((2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxy-tetrahydro-2h-pyran-2-yloxy)-tetrahydrofuran-2-yl)methyl nonanoate
+CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1	DSV	n-(dibenzo[b,d]thiophen-3-ylsulfonyl)-l-valine
+CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC	DSX	batimastat
+CN(C)c1cccc2c1ccc(c2)S(=O)(=O)O	DSY	5-(dimethylamino)-2-naphthalenesulfonic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)N	DSZ	5'-o-(l-alpha-aspartylsulfamoyl)adenosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	DT	thymidine-5'-monophosphate
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CCCNC1=O)CCCCN)CCCCN	DT0	1-[(10~{r},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine
+c1cc(ccc1Nc2cc(nc3n2ncn3)OCC4CCCCC4)S(=O)(=O)N	DT1	4-{[5-(cyclohexylmethoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide
+c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCCCC4)S(=O)(=O)N	DT2	4-{[5-(cyclohexylamino)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide
+C([C@H]([C@@H](CS(=O)(=O)[O-])O)O)S	DT3	(2s,3s)-2,3-dihydroxy-4-sulfanylbutane-1-sulfonate
+c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCC(CC4)N)S(=O)(=O)N	DT4	4-({5-[(4-aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzenesulfonamide
+c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N	DT5	4-{[5-(cyclohexyloxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide
+CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)NC(=O)C)O)CO	DT6	2,4-bisacetamido-2,4-dideoxy-beta-d-glucopyranose
+COc1cc2c(cc1OC)C[N@@](CC2)S(=O)(=O)N	DT7	6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-sulfonamide
+C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C(=O)N(C)C)C1	DT8	n-((1r,2s,5s)-2-(5-chloro-1h-indole-2-carboxamido)-5-(dimethylcarbamoyl)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide
+C[C@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC	DT9	(1s)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1h)-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSSC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	DTA	(2s,3s,4r,5r,2's,3's,4'r,5'r)-2,2'-[dithiobis(methylene)]bis[5-(6-amino-9h-purin-9-yl)tetrahydrofuran-3,4-diol]
+C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O	DTB	6-(5-methyl-2-oxo-imidazolidin-4-yl)-hexanoic acid
+c1ccc2c(c1)C(=O)C(C(=O)O2)CC3C(=O)c4ccccc4OC3=O	DTC	bishydroxy[2h-1-benzopyran-2-one,1,2-benzopyrone]
+C1[C@@H]([C@H](CSS1)O)O	DTD	dithiane diol
+c1cc2c(c[nH]c2c(c1)Cl)C[C@H](C(=O)O)N	DTE	7-cl-d-tryptophan
+c1ccc2c(c1)cccc2C[C@@H]3C\C=C\[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H](C(=O)NC3)CC(=O)N)c5ccc(cc5)CP(=O)(O)O	DTF	4-[(10s,14s,18s)-18-(2-amino-2-oxoethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]benzylphosphonic acid
+CC(C)(C)CC(=O)O	DTG	des-amino t-butyl glycine
+C[C@@H]([C@H](C(=O)O)N)O	DTH	d-threonine
+Cc1csc[n+]1C	DTI	3,4-dimethylthiazolium ion
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2CO)C3=NN(C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C	DTJ	4-tert-butyl-n-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O	DTK	(2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{r},3~{s},4~{r},6~{s})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
+C([C@@H]([C@H](CO)O)O)O	DTL	l-treitol
+CN(Cc1cc(c(c(c1)OC)OC)OC)c2cc3c(nc(nc3nc2)N)N	DTM	2,4-diamino-6-[n-(3',4',5'-trimethoxybenzyl)-n-methylamino]pyrido[2,3-d]pyrimidine
+[O-]S(=O)S(=O)[O-]	DTN	dithionite
+C([C@H]([C@@H](CSO)O)O)S	DTO	1-hydroxysulfanyl-4-mercapto-butane-2,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N	DTP	2'-deoxyadenosine 5'-triphosphate
+COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O	DTQ	4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N	DTR	d-tryptophan
+c1ccc(cc1)S(=O)Cc2ccccc2C(=O)O	DTS	2-{[(s)-phenylsulfinyl]methyl}benzoic acid
+C([C@@H]([C@H](CS)O)O)S	DTT	2,3-dihydroxy-1,4-dithiobutane
+C([C@H]([C@H](CS)O)O)S	DTU	(2r,3s)-1,4-dimercaptobutane-2,3-diol
+C([C@H]([C@@H](CS)O)O)S	DTV	(2s,3s)-1,4-dimercaptobutane-2,3-diol
+c1nc(c2c(n1)n(c(n2)SCCCC(=O)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	DTW	[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O	DTX	digitoxigenin
+c1cc(ccc1C[C@H](C(=O)O)N)O	DTY	d-tyrosine
+S[Zn]S	DTZ	zinc(ii)hydrogensulfide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	DU	2'-deoxyuridine-5'-monophosphate
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO)CO)C)C)C)OC1	DU0	2-[2-[(1~{s},2~{s},4~{s},5'~{r},6~{r},7~{s},8~{r},9~{s},12~{s},13~{r},16~{s})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol
+CCCN1C(=O)c2c(nc([nH]2)C3CCCCC3)N(C1=O)CCCNC(=O)c4ccc(cc4)S(=O)(=O)F	DU1	4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3h-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride
+Cn1ccnc1C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O	DU2	2',5'-dideoxy-5'-{[(r)-(1-methyl-1h-imidazol-2-yl)(phenyl)methyl]amino}uridine
+c1ccc(cc1)C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O	DU3	2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine
+C[N@](C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)C(c3ccccc3)c4ccccc4	DU4	2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine
+c1ccc(cc1)C(=O)NCCCN2CCN(CC2)c3c4ccccc4ccn3	DU5	~{n}-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide
+c1cc(ccc1C#N)NC(=O)NCc2cnc3n2c(cs3)C#CC4CC4	DU6	1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea
+Cc1cc(nc(n1)N)Cl	DU7	4-chloro-6-methylpyrimidin-2-amine
+c1nc(c2c(n1)n(c(n2)SCCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N	DU8	3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid
+C[C@@H]1CN(C[C@@H](O1)C)c2cc3c(c(c2)F)C4(CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5)C(=O)N3C	DU9	6-[(2s,6r)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)O	DUA	2',5'-dideoxy-5'-(tritylamino)uridine
+c1cc(c(c(c1)Cl)O)Cl	DUB	2,6-dichlorophenol
+C1CNC(=O)NC1=O	DUC	dihydropyrimidine-2,4(1h,3h)-dione
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O	DUD	deoxyuridine-5'-diphosphate
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cc(cc3c2occ3)c4ccc(cc4)CN	DUE	(2~{s})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid
+c1cc(c(cc1OCC=O)Cl)F	DUG	(3-chloro-4-fluorophenoxy)acetaldehyde
+c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c4ccccn4nc3O)F)F	DUH	2-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
+C[C@H](C(=O)N)SC1=Nc2c(cnn2c3cccc(c3)Cl)C(=O)N1	DUK	(2r)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide
+CCSc1cccc(c1)c2ccc(s2)C(=O)N	DUL	5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide
+*	DUM	dummy atoms
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(NP(=O)(O)O)O)O	DUN	2'-deoxyuridine 5'-alpha,beta-imido-diphosphate
+C[C@@H]1CN(c2c1c3c(c(c2)O)N[C@@](C3=O)(C)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC	DUO	4-hydroxy-2,8-dimethyl-1-oxo-6-(4,5,6-trimethoxy-1h-indole-2-carbonyl)-1,2,3,6,7,8-hexahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O	DUP	2'-deoxyuridine 5'-alpha,beta-imido-triphosphate
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC[C@@H](CN4C=CC(=O)NC4=O)C(=O)NCCO	DUQ	(2s)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-n-(2-hydroxyethyl)-4-trityloxy-butanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O	DUR	2'-deoxyuridine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COS(=O)(=O)O)O	DUS	2'-deoxy-5'-o-sulfouridine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O	DUT	deoxyuridine-5'-triphosphate
+[H]/N=C(\N)/N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(cc2)CNC(=O)CCCNC1=O)CCCCN)CCCCN	DUU	1-[(10~{r},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine
+C#CCCC[C@H](C=O)C(=O)O	DUV	(2r)-2-methanoylhept-6-ynoic acid
+c1ccc(cc1)C[C@H](C=O)C(=O)O	DUW	(2r)-2-methanoyl-3-phenyl-propanoic acid
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)F	DUX	2,3-deoxy-3-fluoro-5-o-trityluridine
+CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](C4CCCC4)C(=O)O	DUY	(2s)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-l-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid
+c1ccc(cc1)CNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	DUZ	5-(benzylcarbamoyl)-2'-deoxyuridine 5'-(dihydrogen phosphate)
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)[C@H](NC1=O)C)CCCCN)CCCCN	DV0	1-[(5~{r},8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
+C=CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	DV1	(3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d][1,3]thiazole-6,7-diol
+Cc1c(scn1)c2ccc(cc2)CNC(=S)[C@@H]3C[C@H](CN3C(=O)[C@H](C)NC(=O)C)O	DV2	~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide
+C1CO[C@@H]([C@H]1O)COP(=O)(O)S	DV3	1,4-anhydro-2-deoxy-5-o-thiophosphono-d-erythro-pentitol
+CC(=O)Nc1cc(n(c1)C)C(=O)Nc2cn(c(n2)C(=O)NCCCC(=O)Nc3ccn(c3)C)C	DV4	4-{[4-(acetylamino)-1-methyl-1h-pyrrole-2-carbonyl]amino}-1-methyl-n-{4-[(1-methyl-1h-pyrrol-3-yl)amino]-4-oxobutyl}-1h-imidazole-2-carboxamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O	DV5	(2~{s},4~{r})-1-[(2~{s})-2-acetamidopropanethioyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+C[N+](C)(C)[C@@H](CC1=CN[C@@H](N1)SS)C(=O)O	DV6	[(2s)-3-[(2s)-2-(disulfanyl)-2,3-dihydro-1h-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium
+c1cc2c(cc1O)OC(=O)C=C2CC[C@@H](C(=O)O)N	DV7	l-(7-hydroxycoumarin-4-yl)ethylglycine
+Cc1c(scn1)c2ccc(cc2)CNC(=S)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O	DV8	~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-sulfanylidene-propan-2-yl]ethanamide
+C(CC(=O)C(F)(F)P(=O)(O)O)[C@@H](C(=O)O)N	DV9	(2s)-2-azanyl-6,6-bis(fluoranyl)-5-oxidanylidene-6-phosphono-hexanoic acid
+CC(C)[C@H](C(=O)O)N	DVA	d-valine
+C[C@H]1C([C@@](C[C@@H](O1)O)(C)N)(O)O	DVC	(2r,4s,6s)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol
+CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CO)NC(=O)c5cc6ccccc6s5)C1	DVD	n-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide
+C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C)C	DVE	obtusifoliol
+C1[C@H]([O+]2[V](O[V]2(O1)(O)O)(O)O)CO	DVG	divanadate glycerol ester
+C=C[C@@H]1CC[C@@H]([C@H](C1)O)O	DVH	(1s,2s,4r)-4-ethenylcyclohexane-1,2-diol
+CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CCO)NC(=O)c5cc6ccccc6s5)C1	DVJ	n-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide
+C1CN(CCN1CCCCN)CCO	DVK	2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol
+Cc1cc(c(c(c1)c2nc3ccccc3s2)OCc4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)C=O	DVL	3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde
+CC(=O)N[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H](CC=C(O2)CN)N)O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N	DVM	acetylsisomicin
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)OP(=O)(O)O)N	DVN	[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5s)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N	DVP	methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)piperidine-4-carboxylate
+C1CN(CCN1CCO)CCO	DVQ	2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
+c1ccn2c(c1)cc(c2N/C(=C(\CS(=O)=O)/C=CC(=O)N)/C(=O)O)C=O	DVR	3-(4-carbamoyl-1-carboxy-2-methylsulfonyl-buta-1,3-dienylamino)-indolizine-2-carboxylic acid
+[O-][V-]1234O[V-]567(O1891[V-]%10(O2)(O5)([O+]2[V-]858(O3)O[V-]3%11%12([O+4]55%13%14[V-]22(O3)([O+]%10[V-]953([O+4]6)O[V-]%13(O%11)(O2)(O[V-]%142(O%12)([O+]8[V-]1([O+]32)(O4)(O7)[O-])[O-])[O-])[O-])[O-])[O-])[O-]	DVT	decavanadate
+CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45(CC5)[N]6=CN(C(=C6)c7cn(nn7)[C@@H]8[C@H]([C@H]([C@H]([C@H](O8)O)O)O)O)C)C	DVW	five-coordinate platinum(ii) compound
+[B-]1(n2c(ccc2CCC(=O)OC[C@H](c3nc(c(o3)Br)c4ccc(cc4)C(F)(F)F)Oc5ccc(c(c5F)C(=O)N)F)C=C6[N+]1=C(C=C6C)C)(F)F	DVX	[(2r)-2-[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]-2-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate
+c1nc(c2c(n1)n(c(n2)SCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	DVZ	[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-(2-hydroxy-2-oxoethylsulfanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium
+Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C	DW0	1,1'-propane-1,3-diylbis(3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione)
+C1=CC(C=C1)[Ru@]2(N3C=CC=C4C3=C5[N]2=C6C=CC(=CC6=C5C7=C4C(=O)NC7=O)O)C#O	DW1	ruthenium pyridocarbazole
+c1cc2c(cc1O)c3c4c(c5c6c3n2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7C8[CH]9=[CH]12)C#O)C(=O)NC4=O	DW2	ru-pyridocarbazole-2
+C(C=O)O	DW3	2-oxidanylethanal
+c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO	DW4	benzyl [(8s,11s,14s)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate
+CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45([C][C]5)C)C	DW5	five-coordinate platinum(ii) compound
+c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO	DW7	benzyl [(9s,12s,15s)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate
+CCCNC(=O)CCOCCOCCOCCNC(=O)c1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O	DW8	[2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-(propylamino)propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid
+c1c(cc2c(c1O)nc(s2)N)SSc3cc(c4c(c3)sc(n4)N)O	DW9	2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol
+COc1ccc(cc1)[C@]2(COC(=N2)N)c3cccc(c3)c4cccnc4F	DWA	(4r)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
+COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cc(ccc5F)Cl	DWB	(4s)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine
+c1cc2c3c(c4c5cc(ccc5n6c4c2[n+](c1)[Os]67891(C2C7=C8C9=C12)C#[O+])O)C(=O)NC3=O	DWC	pyridocarbazole cyclopentadienyl os(co) complex
+CC(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5	DWD	(4s)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine
+c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCOCCOCCOCCC(=O)NCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O	DWE	[2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-[2-[3-[2-[2-[2-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid
+CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F	DWF	n-(3-fluoro-4-{[2-({3-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
+C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(CC(C1=O)C#N)c4ccccc4)Nc5ccccc5	DWG	(6as,7s,9s,10as)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile
+COC(=O)CNc1nc(nc(n1)Cl)Nc2ccc(cc2)S(=O)(=O)N	DWH	methyl n-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate
+C[C@H]1[C@@H]2CCc3cn(nc3[C@]2(C[C@H](C1=O)C#N)c4ccccc4)C(=O)c5ccccc5	DWJ	(5as,6s,8s,9as)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2h-benzo[g]indazole-8-carbonitrile
+c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCCOCCOCCOCCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O	DWK	[2-[2-oxidanylidene-2-[[3-[3-[2-[2-[3-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid
+C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5	DWM	(7r)-1-[(4-fluorophenyl)methyl]-n-{3-[(1r)-1-hydroxyethyl]phenyl}-7-methyl-5-(1h-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine-3-carboxamide
+C[C@@H]1C(=O)[C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N	DWN	(2r,4s,6r)-4-amino-6-methyl-5-oxotetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@@H](C1=O)C#N)C)Nc4ccccc4	DWP	(6as,7s,9r,10as)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile
+c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(=O)NCCOCCCCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O	DWQ	[2-[2-oxidanylidene-2-[[3-[2-[5-[3-oxidanylidene-3-[3-[2-[2-[3-[3-[2-[2-[2-[[3-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylamino]propoxy]pentoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid
+C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@H](C1=O)C#N)c4cccc(c4)C(=O)O)Nc5ccccc5	DWS	3-[(6as,7s,9s,10as)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5h)-yl]benzoic acid
+Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F	DWT	4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CN1CCN(CC1)C2=NC(=O)/C(=C/c3ccc(c(c3)Cl)Cl)/S2	DWV	(5z)-5-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5h)-one
+B(c1ccccc1CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O	DWW	[2-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid
+B(c1cccc(c1)CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O	DWX	[3-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid
+B(c1ccc(cc1)CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O	DWY	[4-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid
+C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C	DWZ	(2s,3r,4s)-4-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=O)NC3=O)COP(=O)(O)O)O	DX	[(2~{r},3~{s},5~{r})-5-[2,4-bis(oxidanylidene)imidazo[1,2-a][1,3,5]triazin-8-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+C[C@]1(CCCC2(C1CCC34C2CCC(C3)(C(=C)C4)OC5[C@H](C(C([C@@H](O5)CO)O)O)O)C)C(=O)O	DX0	steviolmonoside
+CC(C)c1c(nc2c(n1)c(nc(n2)N)N)C(C)C	DX1	6,7-bis(1-methylethyl)pteridine-2,4-diamine
+c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N	DX2	6-phenylpteridine-2,4,7-triamine
+CC1=Nc2c(nc(nc2NC1(C)C)N)N	DX3	6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine
+c1[nH]c2c(n1)C(=S)NC(=N2)N	DX4	2-amino-1,9-dihydro-6h-purine-6-thione
+C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O	DX5	d-xylitol-5-phosphate
+c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N	DX6	2-amino-5-(2-phenylethyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+c1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N	DX7	2-amino-4-oxo-6-phenyl-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+COc1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N	DX8	2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+[H]/N=C(\C)/N1CC[C@@H](C1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)/C(=N/[H])/N)C(=O)O	DX9	(2s)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3r)-1-[(1z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid
+CC[C@@H](C)c1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC	DXA	1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-(sec-butyl)-anthracene
+Cc1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@H](C)O)O)OC	DXB	1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-methyl-anthracene
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	DXC	(3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid
+C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O	DXD	(1s,3s,4r)-4-(phosphooxymethyl)-cyclopentane-1,3-diol
+COCCOC	DXE	1,2-dimethoxyethane
+CO/N=C(/c1ccco1)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)O	DXF	(2r)-5-[(carbamoyloxy)methyl]-2-[(1r)-1-{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C([C@@H]([C@H](C(=O)[O-])O)O)[C@@H](C(=O)[O-])O	DXG	4-deoxyglucarate
+Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F	DXH	4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CC(=CCC/C(=C/C=C/C(=O)C)/C)C	DXJ	(3e,5e)-6,10-dimethylundeca-3,5,9-trien-2-one
+Cn1c2c(cn1)c(nc(n2)c3cccnc3)N	DXK	1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine
+[C@@H](C([C@@H](C(=O)O)O)O)(C(=O)O)O	DXL	d-xylaric acid
+Cc1cc(nn1C)NC2=CC(=NN(C2=O)C)c3ccc(c(c3F)NC(=O)c4cc5c(s4)CCCC5)F	DXM	n-(3-{5-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
+C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O	DXN	(1r,3s,4r)-4-(phosphooxymethyl)-cyclopentane-1,3-diol
+Cc1cccc(c1c2nc(nc(n2)SC)N3CCNCC3)C	DXO	2-(2,6-dimethylphenyl)-4-(methylsulfanyl)-6-(piperazin-1-yl)-1,3,5-triazine
+CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O	DXP	1-deoxy-d-xylulose-5-phosphate
+C[N@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C	DXQ	7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-n-(1-methylpiperidin-4-yl)quinazolin-4-amine
+CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Br)c(ncn2)N	DXR	3-(3-bromobenzyl)-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCNS(=O)(=O)c4cccc5c4cccc5N(C)C	DXS	2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide
+C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O	DXT	(4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
+C[C@@H]1[C@@H](C(NO1)c2c(cccc2Cl)Cl)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(O)O	DXU	(3r,4r,5r)-3-(2,6-dichlorophenyl)-n-{(1r)-1-[(2r,4s)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl} -5-methyl-1,2-oxazolidine-4-carboxamide
+c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O	DXV	2-cyclopentyl-4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccco3	DXW	6-{[(3s,4s)-4-{2-[(furan-2-ylmethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC(C(=O)O)C(=O)O	DXX	methylmalonic acid
+CS[C@@H](CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O	DXY	n-({4-[(1s)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-l-glutamic acid
+CS[C@H](CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O	DXZ	n-({4-[(1r)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-l-glutamic acid
+[Dy+2]	DY	dysprosium ion
+C[C@H](c1ccc(cc1)C(F)(F)F)n2c3c(cc(cc3S(=O)(=O)C)F)c4c2[C@@H](CCC4)CC(=O)O	DY1	[(1s)-6-fluoro-8-(methylsulfonyl)-9-{(1r)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1h-carbazol-1-yl]acetic acid
+Cc1c(c2ccc(cc2nc1c3cc(cnc3)c4ccc(cc4)OC(F)(F)F)OC)O	DY2	7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol
+Cc1cc(cc(c1C)C)n2c(nnc2SC)CCCO	DY3	3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol
+Cc1cc(nn1C)NC2=CC(=NNC2=O)c3ccc(c(c3F)NC(=O)c4cc5c(s4)CCCC5)F	DY4	n-(3-{5-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
+Cc1ccc2c(c1[N+](=O)[O-])C(=O)C[C@H](O2)C(F)(F)F	DY5	(2~{s})-6-methyl-5-nitro-2-(trifluoromethyl)-2,3-dihydrochromen-4-one
+c1ccc2c(c1)CC[N@@](C2)S(=O)(=O)c3cccc(c3)C(=O)Nc4ccccc4C(=O)O	DY6	2-({[3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
+Cc1cc(nc([nH+]1)N)Nc2cc(cc(c2)Br)Br	DY7	2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium
+c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCOCC2	DY8	morpholinohistidine
+C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O	DY9	fluostatin c
+C(=C(/C(=O)O)\N)\C(=O)O	DYA	didehydroaspartate
+B1(OCCO1)OCCCC[NH3+]	DYB	4-(1,3,2-dioxaborolan-2-yloxy)butan-1-aminium
+c1cc(ccc1c2csc3n2ccn3)Br	DYC	3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole
+C[C@@H](CC[C@H](C)O)O	DYD	(2s,5s)-hexane-2,5-diol
+CCCCC/C=C/C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	DYF	[(3~{r})-2,2-dimethyl-4-[[3-[2-[[(~{e})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC(=O)O)N)CC(=O)O)O	DYG	(3s)-3-amino-3-[(4z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-2-yl]propanoic acid
+CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O	DYH	(2r,3ar,6s,7r,7ar)-2-[(2s)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2h-furo[3,2-b]pyran-2-carboxylic acid
+C/C(=C\C(=O)C(=O)O)/N1CCC[C@H]1C(=O)O	DYJ	1-[(2e)-4-carboxy-4-oxobut-2-en-2-yl]-l-proline
+CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3nccc(n3)c4c[nH]c5c4ccnc5	DYK	n-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1h-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
+C=CC[C@H](C(=O)O)N	DYL	(2r)-2-aminopent-4-enoic acid
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1OC[C@@H](CO)O)C(=O)O)O	DYM	(2r)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)CO[P@](=O)(O)O[C@H]4C[N@@](C[C@@H]4CO[P@@](=O)(O)OCCCO)Cc5c[nH]c6c5ncnc6N)O[P@](=O)(O)OCCCCO	DYN	5'-o-[(s)-{[(3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[(s)-hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)pyrrolidin-3-yl]oxy}(hydroxy)phosphoryl]-3'-o-[(r)-hydroxy(4-hydroxybutoxy)phosphoryl]-2'-o-methylguanosine
+CCC(=O)C1CCN(CC1)Cc2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N	DYP	1-[1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzyl)piperidin-4-yl]propan-1-one
+c1ccc2c(c1)c3ccccc3n2CC(=O)Nc4c(cccc4Cl)C#N	DYR	2-carbazol-9-yl-n-(2-chloranyl-6-cyano-phenyl)ethanamide
+c1c(cc(c(c1O)O)SC[C@@H](C(=O)O)N)CCN	DYS	s-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-l-cysteine
+c1c([nH]cn1)C[C@@H](C(=O)O)Cl	DYT	(2~{s})-2-chloranyl-3-(1~{h}-imidazol-5-yl)propanoic acid
+Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(c(c4)C)C	DYU	~{n}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide
+COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccc(cc5Cl)C(=O)N6CCC[C@H]6C(=O)O	DYV	1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5h)-yl]methyl}benzene-1-carbonyl)-l-proline
+C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)N)C(=O)O	DYW	(2~{s})-1-[(2~{s})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid
+COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)C4(CCCC4)c5ccc(cc5)Cl	DYX	1-(4-chlorophenyl)-n-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
+c1cc(c(c(c1)F)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)F	DYY	1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
+CCn1cnc2c1C(=O)NC(=O)N2Cc3ccccc3	DYZ	7-ethyl-3-(phenylmethyl)purine-2,6-dione
+C1[C@@H]([C@H](O[C@H]1C2=CC(=C(NC2=O)N)[N+](=O)[O-])COP(=O)(O)O)O	DZ	[(2~{r},3~{s},5~{r})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{h}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+COc1ccc2c(c1)C/C(=C\C3CCN(CC3)Cc4ccccc4)/C2=O	DZ0	(2~{e})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{h}-inden-1-one
+Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C	DZ1	n-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide
+c1cc(c(cc1Cl)C(=O)Nc2cc(c(c(c2)Br)O)Br)Cl	DZ2	2,5-dichloro-n-(3,5-dibromo-4-hydroxyphenyl)benzamide
+Cc1cc(cc(c1O)C)C(=O)Nc2cc(c(c(c2)Br)O)Br	DZ3	n-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N	DZ4	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
+c1cc(ccc1/C=C(/C(=O)O)\S)F	DZ5	(2z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid
+Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(C)C)C#Cc4cnc5n4cc(nc5)c6ccc(cc6)N	DZ6	3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{n}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide
+COc1cc2c(cc1OC)C(=O)/C(=C/C3CCN(CC3)Cc4ccccc4)/C2	DZ7	(2~{e})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{h}-inden-1-one
+CC(C)NCCCn1c(nc2c1nc(nc2N)F)Cc3cc4c(cc3I)OCO4	DZ8	2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine
+c1cc(cc(c1)F)NC(=O)c2c(c3ccc(nc3s2)c4cccs4)N	DZ9	3-amino-n-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
+CN(C)NC(=O)CCC(=O)O	DZA	daminozide
+c1ccc(cc1)C(CNC(=O)c2c(nsn2)O)c3ccccc3	DZB	n-(2,2-diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide
+Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(F)(F)F)C#Cc4cnc5n4ccnc5	DZC	3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{n}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
+c1cc(cc(c1)C(=O)N)CN2C[C@@H]([C@H](C2)O)CO[P@@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	DZD	5'-o-[(r)-{[(r)-{[(3r,4r)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
+CC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C	DZE	methyl (3s)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N	DZF	5-deazafolic acid
+COc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4	DZG	1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
+CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)CNS(=O)(=O)c4ccc5c(c4)CCCC(=O)N5	DZH	~{n}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
+c1cc([nH]c1)/C=N/NC(=O)c2cc(c(c(c2)O)O)O	DZI	3,4,5-tris(oxidanyl)-n-[(e)-1h-pyrrol-2-ylmethylideneamino]benzamide
+c1ccc(cc1)CC2=C(N=C3N(C2=O)c4ccc(cc4S3)Cl)O	DZJ	3-benzyl-8-chloro-2-hydroxy-4h-pyrimido[2,1-b][1,3]benzothiazol-4-one
+c1ccc(cc1)CS[C@@H](CC(=O)O)C(=O)O	DZK	(2~{s})-2-(phenylmethylsulfanyl)butanedioic acid
+CCc1nc(c(s1)C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)[C@H]5CCCO5	DZL	2-ethyl-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-4-[(2r)-oxolan-2-yl]-1,3-thiazole-5-carboxamide
+Cc1cnc(c2c1n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	DZM	3-deaza-3-methyladenine
+c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O	DZN	daidzin
+c1cc(cc(c1)N)c2cnn3c2nc(cc3)Nc4cccc(c4)Cl	DZO	3-(3-aminophenyl)-n-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
+CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl	DZP	7-chloro-1-methyl-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one
+CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(cc(c2)Cl)F	DZR	~{n}-[[1-[2-(~{tert}-butylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3-chloranyl-5-fluoranyl-benzamide
+c1ccc(c(c1)CN2c3nnc(n3-c4ccccc4C2=O)c5cc(ccc5O)C(=O)O)Cl	DZS	3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid
+CCCCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	DZT	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol
+Cc1ccc2c(c1)nc(n2c3cccc(c3)OCCCN4CCN(CC4)C)/C=C/c5cccc6c5nccc6	DZU	8-[(e)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline
+COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccccc5Cl	DZV	4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4h)-one
+CCCCCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	DZW	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol
+C1C[C@H]2[C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O	DZX	deoxy-galacto-noeurostegine
+Cc1c(nc(s1)C)CC(=O)O	DZY	(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid
+COP(=S)(O)OC	DZZ	o,o-dimethyl hydrogen thiophosphate
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@H]([C@@H]([C@@H]([C@H]4O)O)O)Nc6c7c(ncn6)n(cn7)[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O	E	n-((-)-(7s,8r,9s,10r)[7,8,9-trihydroxy-7,8,9,10-tetra hydrobenzo[a]pyren-10-yl])-2'-deoxy-adenosine-5'-monophosphate
+C[N+](C)(C)Cc1ccccc1	E00	benzyltrimethylammonium
+C1CC2(CCC1N)C3CC4CC(C3)CC2C4	E01	(1r,1's,3's,5's,7's)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine
+c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl	E02	5-(1h-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
+c1cc2c(cc1F)[nH]cc2C[C@H](C(=O)O)N	E03	6-fluoro-d-tryptophan
+CC1(CC[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)C(=O)N)C)OC1=O)C	E04	3-carboxamido-1,3,5(10)-estratrien-17(r)-spiro-2'(5',5'-dimethyl-6'oxo)tetrahydropyran
+CC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	E05	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol
+[B-]([C@H](C)NC(=O)c1c(cccc1F)F)(O)(O)O	E06	[(1r)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron
+B([C@@H](C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O	E07	trihydroxy-[(1s)-1-[[2-(phenylmethyl)phenyl]carbonylamino]ethyl]boron
+[B-]([C@@H](C)NC(=O)c1ccccc1C(C)C)(O)(O)O	E08	trihydroxy-[(1s)-1-[(2-propan-2-ylphenyl)carbonylamino]ethyl]boron
+Cn1c(c(c2c1C(=O)C=C(C2=O)N3CC3)CO)CCCO	E09	3-hydroxymethyl-5-aziridinyl-1methyl-2-[1h-indole-4,7-dione]-propanol
+CCCCS(=O)(=O)Nc1ccc2c3c1cccc3C(=O)N2CC	E0A	n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4CCN(CC4)C(=O)C	E0B	n-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4cc(ccc4OC)Br	E0C	5-bromo-n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
+CC(=O)c1cn(c2c1cccc2)CC(=O)N3CCC[C@@H](C3)C(=O)O	E0D	(3s)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid
+CCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	E0E	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol
+CN(Cc1ccccc1NC(=O)C2=Cc3ccccc3NC2=O)C4CCCCC4	E0F	~{n}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{h}-quinoline-3-carboxamide
+CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C	E0G	4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide
+c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)Cl	E0H	5-(3,4-dichlorophenyl)furan-2-carboxylic acid
+Cc1cc(ccc1OCc2ccccn2)OC	E0J	2-[(4-methoxy-2-methylphenoxy)methyl]pyridine
+Cc1c(c(on1)C)c2ccc3c(c2)O[C@@H](C(=O)N3)CC4CC4	E0K	(2r)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4h-1,4-benzoxazin-3-one
+CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)C(=O)O	E0L	3-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid
+CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)c4[nH]nnn4	E0M	2-amino-7-(propan-2-yl)-3-(1h-tetrazol-5-yl)-5h-[1]benzopyrano[2,3-b]pyridin-5-one
+CN1c2ccc(cc2C[C@@H]1C(=O)N[C@H](C3CCCCC3)C(=O)O)Cl	E0N	(2~{r})-2-[[(2~{r})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid
+CC(C)(C(=O)O)Oc1ccc(cc1)Cl	E0O	2-(4-chloranylphenoxy)-2-methyl-propanoic acid
+CCOC(=O)c1cc2c(nc1N)Oc3ccc(cc3C2=O)C(C)C	E0P	ethyl 2-amino-5-oxo-7-(propan-2-yl)-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylate
+Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)CC(=O)O	E0Q	2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid
+CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O	E0R	4-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid
+CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)Nc4[nH]nnn4	E0S	2-amino-5-oxo-7-(propan-2-yl)-n-(1h-tetrazol-5-yl)-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxamide
+c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)O	E0T	5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid
+CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)CC(=O)O	E0U	2-[3-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid
+CNc1ccc2c3c(c(nc(n3)NC)N4CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)sc2n1	E0V	4-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
+[H]/N=C(\C)/N1CC[C@H](C1)SC2C[C@@H](NC2C(=O)O)[C@H](CO)[C@@H](C)O	E0Y	(3s,5r)-5-[(2r,3r)-1,3-dihydroxybutan-2-yl]-3-({(3r)-1-[(1e)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-l-proline
+COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCNc3c4ccccc4nc5c3ccc(c5)Cl	E0Z	2-[1-[2-[(3-chloranylacridin-9-yl)amino]ethyl]-1,2,3-triazol-4-yl]-~{n}-[(3-methoxy-4-oxidanyl-phenyl)methyl]ethanamide
+C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4	E10	(s,s)-(-)-n,n'-di-5'-[5',6',7',8'-tetrahydro- 2'(1'h)-quinolynyl]-1,10-diaminodecane dihydrochloride
+CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OC	E11	n~4~-(1-benzylpiperidin-4-yl)-n~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine
+C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4	E12	(s,s)-(-)-n,n'-di-5'-[5',6',7',8'-tetrahydro- 2'(1'h)-quinolynyl]-1,12-diaminododecane dihydrochloride
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)OC)O)C(=O)NCC(C)(C)C)C	E13	n-[(2s,3s)-4-{(4r)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-n~2~-{(2s)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-l-valinamide
+CC(C)CNC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C	E14	(4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-n-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
+C[C@H](C(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C	E15	(4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-n-[(2r)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
+C[C@H](C(C)(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C	E16	(4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-n-[(2r)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+C[C@H](C(C)(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)CN4CCOCC4)O)(C)C	E17	n-{(1s,2s)-1-benzyl-3-[(4r)-5,5-dimethyl-4-{[(1r)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-n~2~-{(2s)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-l-valinamide
+CN(C)CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1	E18	2-(dimethylamino)ethyl (1z)-2-phenyl-n-(sulfooxy)ethanimidothioate
+C#Cc1cccc(c1)Nc2c3c(cncn3)c4ccc(cc4n2)C(=O)O	E1B	5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid
+CCc1c(c(c(n1C)CC)S(=O)(=O)N)C(=O)O	E1C	2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid
+C[C@@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)C	E1D	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5h)-one
+Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N)C	E1E	2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N	E1F	2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
+c1cc(cc(c1)S(=O)(=O)N)C(=O)CSc2ncccn2	E1G	3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
+[H]/N=C\C	E1H	ethanimine
+COc1cc2c(cc1OCCN)nc(nc2NCCCNC(=O)C=C)N3CCCC3	E1J	n-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide
+C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl	E1K	6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine
+c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=S)Nc4ccc(cc4)OC(F)(F)F	E1L	n-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide
+C[C@@H](c1c(ccc(c1Cl)N)Cl)Oc2ccc3c(c2)c(c(cn3)/C=C/C(=O)O)C4CC4	E1M	(2e)-3-{6-[(1s)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid
+CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4[n+]3C)Cl)N)[C@@H](C2)C1	E1N	12-amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CS)C(=O)O)O	E1O	(2r)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid
+CCOC(=O)C(=O)N1CCCCC1	E1P	ethyl oxo(piperidin-1-yl)acetate
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COC(=O)C)C(=O)O)O	E1R	(2s)-3-acetyloxy-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid
+Cc1ccc(s1)c2ccc(cc2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N	E1S	n~2~-{3-[4-(5-methylthiophen-2-yl)phenyl]propanoyl}-l-alpha-glutamine
+c1cc2ccc(nc2nc1)C(=O)O	E1T	1,8-naphthyridine-2-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COP(=O)(O)O)C(=O)O)O	E1U	(2s)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid
+Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)Cc3[nH]nnn3	E1W	6-chloranyl-5,7-dimethyl-4-(1~{h}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one
+CCN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC1=O	E1X	phosphoric acid mono-[5-(1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-9-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]ester
+C[C@@H](/C=C(\C)/C=C/C(=O)NO)C(=O)c1ccc(cc1)N(C)C	E1Z	s-trichostatin a
+COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4	E20	1-benzyl-4-[(5,6-dimethoxy-1-indanon-2-yl)methyl]piperidine
+CC[C@H]1/C=C/C=C/C[C@H]([C@@H]([C@@](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](/C=C/C(=O)O[C@@H]2[C@@H]([C@H](C[C@H]1O)O[C@@]3([C@H]2C)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)C)O)C)C)O)C)(C)O)O)C	E21	21-hydroxy-oligomycin
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCCNC2=O)[C@H](C#N)O)NC(=O)/C=C/c3ccccc3	E22	(2~{s})-~{n}-[(1~{r},2~{s})-1-cyano-1-oxidanyl-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{e})-3-phenylprop-2-enoyl]amino]propanamide
+CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F	E23	n-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide
+c1ccc(c(c1)C(=O)NCc2ccc(cc2Cl)Cl)C(F)(F)F	E24	n-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide
+CCNc1cc\2c(c(c1)O)C(=O)O[C@H]([C@@H](/C=C\C(=O)[C@H]([C@H](C/C=C2)O)O)C)C	E26	(4~{s},5~{r},6~{z},9~{s},10~{s},12~{e})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
+c1ccc2c(c1)c3c(cn2)nc([nH]3)SCC(=O)c4ccc(c(c4)S(=O)(=O)N)Cl	E27	2-chloro-5-[(1h-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide
+c1cc2c(cc1CNC(=O)c3cc(c[nH]3)c4c(cn[nH]4)c5ccc(c(c5)C(F)(F)F)CN)CCO2	E28	4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}-n-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1h-pyrrole-2-carboxamide
+c1cc(c(cc1Cl)/C=C/C(=O)O)n2cnnn2	E29	(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoic acid
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O	E2B	3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
+CCN(CC)CCCCCN1c2ccccc2Oc3c1cc(cc3)Cl	E2C	5-(2-chloranylphenoxazin-10-yl)-~{n},~{n}-diethyl-pentan-1-amine
+c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC4CCNCC4	E2F	2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine
+Cc1nnc(n1c2ccccc2CNC(=O)C)CNC(=O)C(N)O	E2G	(2r)-n-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4h-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide
+CCCCc1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N	E2I	4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(c4ccc(cc4)F)c5ccc(cc5)F)CC3	E2J	6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one
+c1nc(c2c(n1)n(c(n2)SCCCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N	E2K	4-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid
+c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC[C@@H]4CCCNC4	E2L	2-chloranyl-10-[3-[(3~{s})-piperidin-3-yl]propyl]phenoxazine
+c1ccc(c(c1)OCC2CCC(CC2)C(=O)O)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)\C=C\C(=O)N4CCOCC4	E2M	cis-4-{[2-({4-[(1e)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid
+Cn1c(c(c(n1)O)C(=O)O)COc2cccc(c2)C(F)(F)F	E2N	1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid
+c1cc2c(cc1Cl)N(c3ccncc3O2)CCC[C@@H]4CCCNC4	E2O	7-chloranyl-5-[3-[(3~{s})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine
+CCCCC[C@H](\C=C\C1=C(C(=O)CC1)C\C=C/CCCC(=O)O)O	E2P	prostaglandin b2
+c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2NC(=O)C(=O)N3)[N+](=O)[O-]	E2Q	6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide
+c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CC4CCC(CC4)N	E2R	4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine
+CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)C4=C(ON(C4=O)C)C)C(=O)C	E2T	~{n}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
+c1cc2c(cc1Cl)N(c3ccncc3O2)CCC4CCN(CC4)CCN	E2U	2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine
+CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](C)OC(=O)CCCCCCCCCCCCCCC	E2V	(2r)-2-(hexadecanoyloxy)propyl nonadecanoate
+c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)CNO)O	E2W	6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol
+c1cncc2c1N(c3cc(c(cc3O2)N)Cl)CCC[C@@H]4CCCNC4	E2X	7-chloranyl-5-[3-[(3~{s})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine
+c1cc(cc(c1)F)CCNCCc2ccnc(n2)n3ccnc3	E2Z	2-(3-fluorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine
+c1cc(ccc1c2[nH]nnn2)N	E30	4-(1h-tetrazol-5-yl)aniline
+CCc1cc(nc(n1)c2cccc(c2)Cl)Cc3ccc(cc3)CC(=O)N	E31	2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide
+c1cn-2c(n1)C(=O)N(c3c2cc(c(c3)N4CC[C@@H](C4)N)F)C5CC5	E32	7-[(3~{s})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one
+CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@@H]3c4ccc(cc4CCN3C2)OC	E33	(8~{a}~{r},12~{a}~{s},13~{a}~{r})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine
+CCOC(=O)c1ccc(c(c1)N)N	E34	ethyl 3,4-diaminobenzoate
+CCOC(=O)c1cc(cc(c1)O)O	E35	ethyl 3,5-dihydroxybenzoate
+c1cc(c(cc1C(=O)CSc2[nH]c3cc4c(cc3n2)OCCO4)S(=O)(=O)N)Cl	E36	2-chloro-5-[(6,7-dihydro-1h-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)N	E37	n~2~-[4-(4-phenylthiophen-2-yl)benzoyl]-l-alpha-glutamine
+c1cc(c(cc1C(=O)CSc2[nH]c3ccc(cc3n2)Br)S(=O)(=O)N)Cl	E38	5-{[(5-bromo-1h-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
+CC(C)N1c2cccc(c2C[C@H]1c3cnc[nH]3)F	E39	(2~{s})-4-fluoranyl-2-(1~{h}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole
+c1cc(ccc1n2ccc(n2)C3[C@H]4[C@@H]3CN(C4)C(=O)ON5C(=O)CCC5=O)F	E3A	1-({(1r,5s,6r)-6-[1-(4-fluorophenyl)-1h-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione
+CCOc1ccc(cc1c2cccc(c2)N3CCCC(C3)(F)F)C(=O)C	E3B	1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone
+CCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	E3C	3-ethyl, cytidine-5'-monophosphate
+Cn1c2ccccc2[n+](c1[Ru](Cl)Cl)C	E3D	dichloro(1,3-dimethyl-1h-benzimidazol-3-ium-2-yl)ruthenium
+c1cnccc1c2cc3c(cc2F)-n4ccnc4C(=O)N3C5CC5	E3E	5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one
+CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3c4ccc(cc4CCN3C2)OC	E3F	(8~{a}~{r},12~{a}~{s},13~{a}~{s})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	E3G	estrone beta-d-glucuronide
+CCN1C(=O)C(=C(O1)C)c2cc(cc(c2)NC(=O)c3ccco3)c4cc(ccc4OCC)C(=O)C	E3H	~{n}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
+c1nc(c2c(n1)n(c(n2)SCC(=O)NCCS)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	E3K	azanylidene-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium
+CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)S(=O)(=O)O)N	E3M	(1r)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-d-glycero-d-galacto-octitol
+CC(C)S(=O)(=O)N1CCC2(CC1)C[C@H](CCO2)NC(=O)NCc3ccc(cc3)OC(F)(F)F	E3N	1-[(4~{s})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@H]2O)O)O	E3O	(16alpha,17alpha)-estra-1,3,5(10)-triene-3,16,17-triol
+c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N	E3P	n~2~-[3-(1,1':4',1''-terphenyl-4-yl)propanoyl]-l-alpha-glutamine
+CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCc4ccccc4OC)OC)C	E3Q	1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1h-pyrazol-5-one
+CC(C)(C)c1ccc(cc1F)NC(=O)[C@H]2c3ccc(cc3CCN2C(=O)CC4=CC(=O)NO4)OC	E3S	(1r)-n-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
+CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(noc4C)C)C(=O)C	E3T	~{n}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
+c1cc(c(c2c1C3=C4C=C(C(=O)C=C4C[C@@]3(CO2)O)O)O)O	E3U	(6ar)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one
+CC1(C=Cc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)C5CC(C5)CC(=O)O)OC)F)C	E3V	{cis-3-[(5r)-5-[(7-fluoro-1,1-dimethyl-1h-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5h)-carbonyl]cyclobutyl}acetic acid
+CN1CCC(=CC1)c2ccc(cc2)O	E3X	4-(1-methyl-3,6-dihydro-2h-pyridin-4-yl)phenol
+COc1ccc2c(c1)CCCN2c3c4cccnc4nc(n3)Cl	E3Y	2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2h)-yl)pyrido[2,3-d]pyrimidine
+C=CC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccccc3)Cl	E3Z	~{n}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide
+CC(C)ON([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c3ccc(cc3)c4ccc(cc4)OC	E40	(2r)-4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-n-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide
+CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1	E41	n-hydroxy-n^2^-(3-methylbutyl)-n^2^-(naphthalen-2-ylsulfonyl)-d-valinamide
+c1cc(cc(c1)c2cccc(c2)O)C[C@H](C(=O)O)N	E42	(r)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid
+O=[W]1234O[W]567(=O)[OH+2]1[W]8(=O)(O2)(O5)O[W]912(=O)O[W]5%10(=O)(O3)[O+]9[W]3(=O)(O5)(O1)O[W]159(=O)O[W]%11(=O)(O4)(O%10)[OH+2]1[W](=O)(O%11)(O6)(O5)O[W]14(=O)(O7)O[W]5(=O)(O8)(O2)[O+]1[W](=O)(O9)(O4)(O5)O3	E43	12-polytungstate
+COc1ccc2c(c1)CCCN2c3c4c(cccn4)nc(n3)Cl	E44	2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2h)-yl)pyrido[3,2-d]pyrimidine
+c1cc(cc(c1)OC(F)(F)F)n2c3c(ccc(n3)NCC4CCNCC4)nn2	E46	n-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNc4[nH]c5cc6c(cc5n4)C(=O)NC(=N6)N)C	E48	6-azanyl-2-[[(1~{r},2~{s},6~{s},9~{r})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
+Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl)C	E49	2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)C)C(=O)N3)O	E4A	(4s)-19-acetyl-4-[(1r)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+CCOC(=O)c1ccc(cc1)O	E4B	ethyl 4-hydroxybenzoate
+c1cc(ccc1[C@@H]2[C@@H](Oc3ccc(cc3S2)O)c4ccc(cc4)OCCN5CCCCC5)O	E4D	(2s,3r)-2-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-2,3-dihydro-3-(4-hydroxyphenyl)benzo[b][1,4]oxathiin-6-ol
+CO[C@H]1[C@@H]([C@@H]([C@H](O1)CNc2[nH]c3cc4c(cc3n2)C(=O)NC(=N4)N)O)O	E4E	6-azanyl-2-[[(2~{r},3~{s},4~{r},5~{r})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
+c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCN	E4F	5-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
+CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)OCC(=O)C)C(=O)N2)O	E4G	(4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)C)C	E4H	(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione
+CCCCNc1cc(cc(n1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)NCCCC)O	E4J	2-(butylamino)-n-[(2s,3s,5r)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide
+Cc1ccccc1c2cccc3c2[nH]c(c3CCCOc4cccc5c4CCCC5)C(=O)O	E4K	7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{h}-indole-2-carboxylic acid
+CCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCC	E4L	ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate
+C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C	E4M	1-{4-[(6s,6ar,7r)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8h-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-o-{5-o-[(s)-{[(1s)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-ribitol
+CC[N+](CC)(CC)CC	E4N	tetraethylammonium ion
+C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)N)O	E4O	(2s,3r)-2-azanyl-n-[(e)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide
+C([C@H]([C@H](C=O)O)O)OP(=O)(O)O	E4P	erythose-4-phosphate
+Cc1cc(nn1C)CSCc2c(c(n(n2)C)C)c3cccc4c3[nH]c(c4CCCOc5cccc6c5cccc6)C(=O)O	E4Q	7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxylic acid
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@]4(c5ccoc5)O)O)C)O	E4R	(3s,5r,8r,9s,10s,13s,14s,17s)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-3,14,17-triol
+COc1c(cc(cn1)c2ccc3c(c2)n(c(n3)N)c4ccc(cc4)N5CCOCC5)S(=O)(=O)Nc6ccccc6F	E4S	5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1h-benzimidazol-6-yl}-n-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
+CC1CC(CC(C1)(O)O)(O)O	E4T	5-methylcyclohexane-1,1,3,3-tetrol
+B([C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)c3cc(ccc3Cl)Cl)(O)O	E4U	[(1~{r})-1-[[(2~{s})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{h}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid
+c1c[nH]c2c1c(cc(n2)N)c3cnc(cn3)N	E4V	4-(5-aminopyrazin-2-yl)-1h-pyrrolo[2,3-b]pyridin-6-amine
+Cc1c-2c(nn1C)CSCc3cc(n(n3)C)CSc4cc5ccccc5c(c4)OCCCc6c7ccc(c2c7n(c6C(=O)O)C)Cl	E4W	azd5991
+C[C@H](c1cccc2c1cccc2)[C@@H](C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4)Br	E4X	4-bromo-n-((1s,2r)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide
+CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCN(C(=O)c2cc(cc(c2)OCC)C(=O)N1)CC)C)O	E4Y	(2r,4s)-n-butyl-4-[(4s,6r)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide
+c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O	E4Z	baloxavir acid
+CCc1cnc(nc1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl	E50	2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCc2cccc(c2)CS(=O)(=O)C[C@H](C(=O)N1)C)C)O	E51	(2r,4s)-n-butyl-4-[(5s,8s,10r)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide
+CC(CO)(CO)NC(=O)C12[CH]3=[CH]4[Ru]3156([CH]4=[CH]52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)N(C2=O)C)C=C(C=[N]61)F)O)C#O	E52	methylated ruthenium pyridocarbazole
+C[C@H]1CC[C@@H]2C[C@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@H]3CCCCN3C(=O)C(=O)[C@]1(O2)O)[C@@H](C)C[C@@H]4CC[C@H]([C@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC	E53	everolimus
+CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCCCC\C=C/CCCCCC)O)OCCCCCCCCCC	E55	3-o-decyl-2-deoxy-6-o-{2-deoxy-3-o-[(3r)-3-methoxydecyl]-6-o-methyl-2-[(11z)-octadec-11-enoylamino]-4-o-phosphono-beta-d-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-o-phosphono-alpha-d-glucopyranose
+c1cc(cc(c1)n2cc(cn2)c3c4cc(c(cc4[nH]n3)Cl)N[C@@H]5CCNC5)C#N	E56	3-[4-[6-chloranyl-5-[[(3r)-pyrrolidin-3-yl]amino]-1h-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile
+CC[C@@H](CO)Nc1ncc(c(n1)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl)C	E57	n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2s)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1h-pyrrole-2-carboxamide
+CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(cc2)S(=O)(=O)N	E59	4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+C[C@H]1C(=O)N[C@@H](Cc2cccc(c2)OCCCCCC(=O)N1C)[C@@H](CNCc3cccc(c3)C(C)C)O	E5A	(10s,13s)-13-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione
+CC[C@H]1CCCN(C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	E5C	(3r)-3-[[(3s)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+CCN1CCCCC[C@H](C[C@H](NC(=O)c2cccc(c2)C1=O)[C@@H](CNCc3cccc(c3)C(C)C)O)C	E5D	(9r,11s)-3-ethyl-11-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
+c1cc(c(cc1[C@H](C[NH3+])O)O)O	E5E	noradrenaline
+C(CCO)CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	E5G	5-hydroxypentyl alpha-d-glucopyranoside
+c1ccc(cc1)c2ccc(cc2)OCC(=O)NCCCN3CCCCC3	E5H	2-(4-phenylphenoxy)-~{n}-(3-piperidin-1-ylpropyl)ethanamide
+CN(C)C1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	E5J	5-chloro-n~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-n~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine
+CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccc(cc4)OC	E5K	1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone
+CCCCCCCCCCC(C)(C)C(=O)Nc1c(cc(cc1OC)OC)OC	E5L	2,2-dimethyl-n-(2,4,6-trimethoxyphenyl)dodecanamide
+C[C@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)C	E5M	(7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5h)-one
+C[C@H](CCC(=O)O)C(=O)O	E5N	(2~{r})-2-methylpentanedioic acid
+CCc1c2[n+](ccn1)[Cu-2]3([N+](=C2C)N=C(S3)N(C)C)Br	E5O	2-bromanyl-9-ethyl-~{n},~{n},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine
+C[C@@H]1CCCCCN(C(=O)c2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)c4ncco4)[C@H](C)c5ccccc5	E5P	(9r,11s)-11-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1r)-1-phenylethyl]-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
+Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3cccnc3)O	E5Q	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{r})-oxidanyl(pyridin-3-yl)methyl]phenol
+C[C@@H]1CCCN(C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	E5R	(3r)-3-[[(3r)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O	E5S	(3r)-3-({2-benzyl-6-[(3r,4s)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol
+Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](C3CC3)O	E5T	3-[(~{r})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
+COC(C(=O)O)C(=O)O	E5U	2-methoxypropanedioic acid
+COCc1cc2cc(c1)NCCCCOc3cccc(c3)C[C@H](NC2=O)[C@@H]([C@H]4CO[C@H](CN4)COC)O	E5V	(4s)-4-{(s)-hydroxy[(3r,6r)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+Cc1c(c(on1)C)c2cc(cc(c2)O)CN3CCC(CC3)(F)F	E5W	3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
+c1cc(ccc1CO)C(=O)O	E5X	4-(hydroxymethyl)benzoic acid
+CCCc1cc(n[nH]1)CNC[C@H]([C@@H]2C[C@@H](CCCCCCOCC(=O)N([C@H](C(=O)N2)C)C)C)O	E5Y	(5s,8s,10r)-8-[(1r)-1-hydroxy-2-{[(5-propyl-1h-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione
+c1cc(ccc1C(=O)NCCC(=O)/N=C/Cc2cnc[nH]2)S(=O)(=O)N	E5Z	~{n}-[3-[(~{e})-2-(1~{h}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide
+C1C(=O)NC(=S)S1	E60	2-sulfanylidene-1,3-thiazolidin-4-one
+C[C@@H]1CCOCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC	E61	(10s,12s)-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-7-oxa-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one
+C[C@@H]1CCC(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O[C@H]1C)O)NC)O)O	E62	(3s,4r,8s,9s,11e)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
+c1ccc(cc1)Nc2cnc(nc2Nc3cc(n[nH]3)C4CC4)Nc5ccc6c(c5)NNC6=O	E63	6-({4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3h-indazol-3-one
+CC(C)C[C@@H](C(=O)NCCCCNC(=[NH2+])N)NC(=O)[C@H](CC(=O)O)O	E64	n-[n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-butyl]-guanidine
+Cc1cc(nc(n1)SCC(=O)c2ccc(cc2)S(=O)(=O)N)C	E65	4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OCCCCCN	E67	7-[(5-aminopentyl)oxy]-n~4~-(1-benzylpiperidin-4-yl)-n~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine
+c1cc(ccc1C(=O)NCC(=O)NCCc2c[nH]cn2)S(=O)(=O)N	E68	~{n}-[2-[2-(1~{h}-imidazol-4-yl)ethylamino]-2-oxidanylidene-ethyl]-4-sulfamoyl-benzamide
+[H]/N=C(/N)\NCCCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)N[C@@H](CCCN/C(=N\[H])/N)C(=O)N1CCC[C@H]1C(=O)N)O	E69	n~2~-[(3s)-4-({(2r)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-l-arginyl-l-prolinamide
+c1ccc2c(c1)C(=O)[C@@H]([C@H](C2=O)O)[C@@H]3[C@@H](C(=O)c4ccccc4C3=O)Br	E6A	(2~{r},3~{r})-2-[(2~{s},3~{s})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione
+c1cc(ccc1C(=O)NCCc2c[nH]cn2)S(=O)(=O)N	E6B	~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]-4-sulfamoyl-benzamide
+CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)O	E6C	n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-2-methyl-butane
+CCOC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)O	E6D	ethyl (3s)-3-hydroxy-4-({(2s)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
+COc1ccccc1COc2cc(ccc2OC)C3=NN(C(=O)[C@H]4[C@H]3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6	E6E	4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
+C1CC[C@@H]([C@H](C1)C(=O)O)N	E6F	(1~{s},2~{s})-2-azanylcyclohexane-1-carboxylic acid
+CCOc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	E6G	6-ethyl, guanosine-5'-monophosphate
+CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)C(=O)N2)COC)O	E6J	(4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)NCCCCC(=O)O	E6K	5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid
+COc1ccc(cc1Cl)CNc2c(cnc(n2)N3CCC[C@H]3CO)C(=O)NCc4ncccn4	E6L	4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]-n-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide
+C[C@@H]1CCCCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC	E6M	(10r,12s)-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one
+COc1ccccc1COc2cc(ccc2OC)C3=NN(C(=O)[C@@H]4[C@@H]3CCCC4)C5CCN(CC5)c6ccc7ncc(n7n6)[N+](=O)[O-]	E6N	(4~{a}~{s},8~{a}~{s})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one
+C[C@H](c1cccc2c1CCC2)[C@@H](C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4C(=O)N)Cl	E6O	5-chloro-2-(n-((1s,2r)-2-(2,3-dihydro-1h-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide
+C[C@@H]1CCOCCCCNc2cc(cc(n2)Cl)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O	E6P	(10s,12s)-17-chloro-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-10-methyl-7-oxa-2,13,18-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one
+c1ccc(cc1)c2c[nH]c3c2ccc4c3C(=O)N=C4	E6Q	3-phenyl-1~{h}-pyrrolo[3,4-g]indol-8-one
+Cc1c(cn(c1c2ccccc2C(F)(F)F)CCO)C(=O)Nc3ccc(cc3)S(=O)(=O)C	E6R	1-(2-hydroxyethyl)-4-methyl-n-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
+C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)C(CNCc2cccc(c2)C(C)C)(O)O)C)C	E6S	(3s,14r,16s)-16-[1,1-dihydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
+c1cc(cc(c1)O)c2c[nH]c3c2ccc4c3C(=O)N=C4	E6T	3-(3-hydroxyphenyl)-1~{h}-pyrrolo[3,4-g]indol-8-one
+c1ccc(cc1)C[C@@H](C(=O)NCCCNC(=N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O	E6U	n-[(1s)-1-benzyl-2-(3-guanidinopropylamino)-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide
+C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CN[C@H]2CC(Oc3c2cc(cc3)C(C)C)(C)C)O)C)C	E6V	(3s,14r,16s)-16-[(1r)-2-{[(4s)-2,2-dimethyl-6-(propan-2-yl)-3,4-dihydro-2h-1-benzopyran-4-yl]amino}-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
+c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4	E6W	2-bromanyl-3-phenyl-1~{h}-pyrrolo[3,4-g]indol-8-one
+C[C@@H]1CCCCCCOCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNC2(CC2)c3cccc(c3)C(C)(C)C)O)C)C	E6Y	(5s,8s,10r)-8-[(1r)-2-{[1-(3-tert-butylphenyl)cyclopropyl]amino}-1-hydroxyethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione
+COc1ccc(cc1C#CC(=O)N)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4	E6Z	 3-{5-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide
+COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O	E70	n-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide
+c1cc(c(c(c1)F)F)c2cnoc2c3c[nH]c4c3cc(cn4)c5ccncc5	E71	3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1h-pyrrolo[2,3-b]pyridine
+CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN	E72	7-[(5-aminopentyl)oxy]-n~4~-[1-(5-aminopentyl)piperidin-4-yl]-n~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine
+CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)CCCCNc4cc(cc(n4)OC)C(=O)N2)O	E74	(4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-18-methoxy-3,15,17-triazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaen-2-one
+Cc1c(c(no1)c2ccccc2)c3ccnc(n3)NC4CCC(CC4)O	E75	trans-4-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino}cyclohexanol
+CN(C)C(=O)c1cc2cc(c1)OCCCCOc3cccc(c3)C[C@H](NC2=O)[C@H](CO)O	E77	(4s)-4-[(1r)-1,2-dihydroxyethyl]-n,n-dimethyl-2-oxo-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaene-19-carboxamide
+Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4c(nc(s4)NC(=O)C)C	E78	~{n}-[5-[2-[(1~{s})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{h}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
+C[C@H](CC(=O)O)N[C@@H](C(=O)O)O	E79	(3r)-3-[[(1r)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid
+C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)N[C@@H](C1)[C@H](CO)O	E7A	(10r,12s)-12-[(1r)-1,2-dihydroxyethyl]-n,n,10-trimethyl-14-oxo-2-oxa-13-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-17-carboxamide
+C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@@H]([C@@H](C(C)C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)OC)O)O)C)O[C@H]1CC[C@H](C)C(=O)C	E7B	(2z)-2-[(1r)-3-{[(1r,2s,3r,6s,7s,10r)-10-{(2s,3s,6r,8s,9r)-3,9-dimethyl-8-[(3s)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
+CC(=CCc1cc(ccc1O)C[C@@]2(C(=C(C(=O)O2)O)c3ccc(cc3)O)C(=O)OC)C	E7C	methyl (2r)-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate
+CCCCC[C@H](CN(CO)O)C(=O)NCNC(=O)c1cc2cccc(c2o1)OC	E7D	n-({[(2r)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide
+c1cc(cc(c1)NC(=O)c2cccc3c2cc([nH]3)C(=O)N)CN	E7E	~{n}4-[3-(aminomethyl)phenyl]-1~{h}-indole-2,4-dicarboxamide
+c1cc(ccc1CCC(=O)c2c(cc(c(c2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	E7F	1-[3-[(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
+CCN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	E7G	7-ethyl, guanosine-5'-monophosphate
+c1cc2c(cc([nH]2)C(=O)N)c(c1)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)N	E7H	4-[[(5~{s},7~{r})-3-azanyl-1-adamantyl]carbonylamino]-1~{h}-indole-2-carboxamide
+CC(C)C[C@H](C(=O)SCCNC(=O)C)N	E7L	s-(2-acetamidoethyl) (2r)-2-azanyl-4-methyl-pentanethioate
+Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CNCCN5CCOCC5	E7M	3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-n-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide
+CCCS(=O)(=O)Nc1cc(ccc1OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4	E7N	~{n}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide
+C(CP(=O)(O)O)[C@@H](C(=O)O)N	E7P	(2s)-2-amino-4-phosphonobutanoic acid
+CCCCCC(=O)N([C@H]1CC(=O)N(C1=O)c2ccc(cc2)Cl)O	E7Q	~{n}-[(3~{s})-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-~{n}-oxidanyl-hexanamide
+CCCn1cnc2c1C(=O)N(C(=O)N2C)C	E7R	1,3-dimethyl-7-propyl-purine-2,6-dione
+Cc1cc2c(cc1C)nc([nH]2)CO	E7S	(5,6-dimethyl-1h-benzimidazol-2-yl)methanol
+CC[C@@H]1C[C@@]([C@H](c2c1c(c(c(c2)F)F)O)Nc3cccc4c3C=CC(=O)N4)(C(F)(F)F)O	E7T	5-[[(1s,2r,4r)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1h-naphthalen-1-yl]amino]-1h-quinolin-2-one
+C[C@H]1CC[C@]2([C@H]([C@@H]3[C@@H](O2)[C@@H]([C@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H]6[C@]5(C[C@@H]([C@H](C6)O)O)C)C)O)C)OC1	E7U	(1s,2r,3r,4r,5's,6s,7s,8s,9r,12r,13r,15s,16s,18r)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol
+CN(C)C(=O)c1ccc(cc1)Cn2c3cc(cc(c3cc2C(=O)O)Br)Sc4ccc(c(c4)Cl)Cl	E7V	4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1h-indole-2-carboxylic acid
+c1ccc2c(c1)c(nc(n2)N[C@H]3CCCC[C@H]3C(=O)O)Nc4cccc(c4)CN	E7W	(1~{r},2~{s})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)[O-])[NH3+])CCO)O)O)N	E7X	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO	E7Y	(5z,8z,11z,14z)-n-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
+CN1C=C(C(=O)C=C1C(=O)O)O	E7Z	1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid
+CCN(c1ccc(c(c1)OCC(C)C)C(C)C)c2ccc(cn2)C(=O)O	E80	6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
+c1ccc2c(c1)CCC[C@@H]2NC(=O)c3cccc(c3)c4cccc(c4)CN	E82	3-[3-(aminomethyl)phenyl]-~{n}-[(1~{s})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
+CC(=O)/C(=N\Nc1cccc(c1)S(=O)(=O)Nc2ccccc2C(=O)O)/C(=O)c3ccccc3	E83	2-[[3-[(2e)-2-[1,3-bis(oxidanylidene)-1-phenyl-butan-2-ylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid
+c1ccc(cc1)C2(CCCCC2)C(=O)OCCN3CCOCC3	E84	2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate
+c1cc(cc(c1)Nc2c3c([nH]n2)ncnc3Nc4cccc(c4)O)CN	E85	3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{h}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
+Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4Cl	E86	4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-n-[(1s)-2-hydroxy-1-phenylethyl]-1h-pyrrole-2-carboxamide
+CCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](CO)NC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC	E87	(2r)-3-{[(2r)-2-(decanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl ditetradecanoate
+CC(C)[C@@H](C(=O)O)Nc1nc2ccccc2c(n1)Nc3cccc(c3)CN	E88	(2~{s})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid
+COc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3	E89	6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CC(C)CC(=O)Nc1cccc(c1)c2cccc(c2)CN	E8B	~{n}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide
+CC(C)C[C@H](C(=O)NO)NC(=O)NCc1ccc(cc1F)F	E8C	(2r)-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+c1ccc(cc1)N2CC(=O)Nc3c2nc(nc3)Nc4cc(c(c(c4)F)O)F	E8D	2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5h)-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O)NC(=O)/C=C/c3ccccc3	E8E	(2~{s})-4-methyl-~{n}-[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide
+Cc1ccc(cc1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO	E8F	(2s)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+Cc1cccc(c1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO	E8G	(2s)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)C(=O)CN5C(=O)CCC5=O	E8H	1-(2-{4-[(4as,8ar)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione
+CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc3c(nccn3)OC	E8J	(1r,3s,4s)-2-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-n-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
+c1ccc(cc1)S(=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4c3cccc4	E8K	[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{h}-indole-3-carboxylate
+CCN(c1ccc(c(c1)OCCOC)C(C)C)c2ccc(cn2)C(=O)O	E8L	6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
+CN(C)Cc1nc(on1)[C@@H](CCCC2CCCCC2)CC(=O)NO	E8M	(3s)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-n-hydroxyhexanamide
+CCC1(CCCCC1)C	E8N	1-ethyl-1-methyl-cyclohexane
+CCN(c1ccc(c(c1)C(C)C)OCC(C)C)c2ccc(cn2)C(=O)O	E8O	6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
+CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](c3ccccc3)C(=O)O	E8P	(2~{s})-2-[[(1~{r},3~{s},4~{s})-2-[(2~{r})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(CCN)O)OC(=O)CCCCCCCCCCCCCCC	E8Q	2-azanylethyl-[(2~{s})-2,3-di(hexadecanoyloxy)propoxy]phosphinic acid
+Cc1ccc(cc1C)CNC(=O)N[C@H](CC(C)C)C(=O)NO	E8R	(2r)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+COc1ccc(cc1)S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](Cc4cccs4)C(=O)NO	E8S	n~2~-[(2h-1,3-benzodioxol-5-yl)methyl]-n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]-3-thiophen-2-yl-d-alaninamide
+C(CC(=O)O)[C@H](CC(=O)C(=O)O)O	E8U	(4r)-4-oxidanyl-2-oxidanylidene-heptanedioic acid
+c1c(cc(c(c1F)O)F)c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F	E8V	4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol)
+CC(C)O[P@](=O)(C)OC	E8W	2-[methoxy(methyl)phosphoryl]oxypropane
+CCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O	E8X	(2~{s},3~{s},4~{r},5~{r})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
+Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O	E8Z	~{n}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide
+c1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N	E90	4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
+c1ccc2c(c1)-c3ccccc3C2=N/N=C/c4ccc(cc4)C(=O)O	E91	4-[(e)-(9h-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid
+c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl	E92	~{n}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide
+c1cc(cc(c1)Cl)c2c(c(sc2c3ccnc(n3)Nc4cccc(c4)O)NCCN5CCCCC5)C#N	E94	4-(3-chlorophenyl)-5-{2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}-2-{[2-(piperidin-1-yl)ethyl]amino}thiophene-3-carbonitrile
+Cc1cccc2c1[nH]cc2C[C@@H](C(=O)O)N	E95	7-methyl-l-tryptophan
+c1cc(ccc1c2[nH]c3cc(ccc3n2)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O)O	E96	4-{[4-hydroxy-phenyl]-1h-benzimidazole-5-yl}-benzimidazole-2-yl-[4-hydroxy-benzene]
+CN(C)CCCOc1ccc(cc1)c2[nH]c3ccc(cc3n2)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)OCCCN(C)C	E97	[3-(4-{2'-[4-(3-dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine
+c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)F	E98	~{n}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide
+C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)C[N]2=C(N(c3c2cccc3)C)COc4ccccc4)C(C)C	E9A	[(1~{r},2~{r},5~{s})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate
+C1C(=O)C(=CC(=O)C1=O)C[C@@H](C(=O)O)N	E9C	(2s)-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)[O-])C(=O)NCCCC(=O)N5CCN(CC5)Cc6c(c(nc(n6)c7ccccn7)c8ccc(cc8Cl)F)C(=O)OC	E9D	heteroaryldihydropyrimidine tetramethylrodamine
+CCO[P@](=O)(C)OC	E9E	1-[methoxy(methyl)phosphoryl]oxyethane
+C[C@@H]1COCCN1c2nc(cc(n2)C3(CC3)S(=N)(=O)C)c4ccnc5c4cc[nH]5	E9F	4-(6-{1-[(r)-s-methanesulfonimidoyl]cyclopropyl}-2-[(3r)-3-methylmorpholin-4-yl]pyrimidin-4-yl)-1h-pyrrolo[2,3-b]pyridine
+C[C@@H](c1ccccc1)N(C(=O)C(=O)O)O	E9G	{hydroxy[(1s)-1-phenylethyl]amino}(oxo)acetic acid
+CCCCCCCCCCCCCCCCOP(=O)(O)O	E9H	hexadecyl dihydrogen phosphate
+C[C@@H](c1ccccc1)NC(=O)C(=O)O	E9J	oxo{[(1s)-1-phenylethyl]amino}acetic acid
+C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1N2)O)O)CO	E9K	(1~{r},2~{r},3~{r},4~{r},6~{r})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol
+Cc1ccc(cc1)C2=NC(=O)C3=CC=C[NH+](C3=C2)C	E9L	(1s)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium
+CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O	E9M	n-methyl-l-tryptophan
+c1ccc(cc1)CS[C@H](CC(=O)O)C(=O)O	E9N	(2~{r})-2-(phenylmethylsulfanyl)butanedioic acid
+CCCCCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O	E9O	(2~{s},3~{s},4~{r},5~{r})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
+CCc1ccc(c(c1)O)Oc2ccccc2	E9P	5-ethyl-2-phenoxyphenol
+C1CCN(C1)c2c(c([nH]n2)N)C#N	E9Q	5-azanyl-3-pyrrolidin-1-yl-1~{h}-pyrazole-4-carbonitrile
+c1ccc(cc1)COC(=O)N[C@@H](CCCC[n+]2ccc(c(c2)O)CO)C(=O)O	E9R	(2~{s})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid
+c1cc(c(c(c1)O)Br)C(=O)C=C(C(=O)O)O	E9S	(2z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+c1cc(cc2c1cc(cc2)C(=O)O)c3ccc(c(c3)C45CC6CC(C4)CC(C6)C5)O	E9T	6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCSC[C@@H](C(=O)O)N)C(=O)O)O	E9U	(2~{s})-4-[(2~{r})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{e})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid
+CN[C@@H](Cc1cnc[nH]1)C(=O)O	E9V	n-methyl-l-histidine
+C#CCNC(=O)CSc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	E9W	azanylidene-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium
+CC1(N=C(N=C(N1OCCCN(Cc2ccccc2)c3ccc(cc3)Cl)N)N)C	E9X	1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
+Cc1c2c(nc(nc2on1)C)N3CCCc4c3ccc(c4)OC	E9Y	1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
+COCCOc1ccc(cc1)Nc2ncc(c(n2)NC3CC3)Cl	E9Z	5-chloro-n~4~-cyclopropyl-n~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine
+CC1(N=C(N=C(N1OCC(=O)Nc2ccc(cc2)Cl)N)N)C	EA0	2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-n-(4-chlorophenyl)ethanamide
+c1cn2cnc3c(c2n1)nc[nH]3	EA1	3h-imidazo[2,1-i]purine
+C(CO[P@@](=O)(O)OP(=O)(O)O)N	EA2	aminoethanolpyrophosphate
+c1c(c(cc(c1S(=O)(=O)N)Cl)SC2CCCCC2)C(=O)NCCO	EA3	4-chloranyl-2-cyclohexylsulfanyl-~{n}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
+CCOC(=O)CNC(=O)NCc1ccc(cc1)N	EA4	ethyl n-[(4-aminobenzyl)carbamoyl]glycinate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@H](CCC(=O)O)N)O	EA5	(4s)-4-amino-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
+CC1(N=C(N=C(N1OCCCOc2ccc(cc2Cl)F)N)N)C	EA6	1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
+C[C@@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)CC#C	EA7	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+CCCOc1ccc(cc1OC)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O	EA9	(4r)-3-(2-hydroxyphenyl)-4-(3-methoxy-4-propoxy-phenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O	EAA	ethacrynic acid
+c1cc(cc(c1)/N=N/c2cccc(c2)CN)CC(=O)O	EAB	(3-{(e)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid
+CCOC(=O)CC(=O)C	EAC	ethyl 3-oxobutanoate
+CCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	EAD	{(2r,3s,4r,5r)-5-[(4s)-3-(aminocarbonyl)-4-(2-ethylisonicotinoyl)pyridin-1(4h)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}methyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCN\1c2cc(ccc2S/C1=C\C(=O)C)OC	EAE	(1~{z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
+CCOc1ccc(cc1)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O	EAF	(4r)-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN)CO)O)O	EAG	2-aminoethyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
+CCCCC\C=C/C\C=C/C=C/C=CC[C@H](CCCC(=O)O)O	EAH	(5s,7e,9e,11z,14z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid
+COc1ccccc1c2cccc(c2)C(=O)O	EAJ	3-(2-methoxyphenyl)benzoic acid
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O	EAL	1-((2s)-2-{[(1s)-1-carboxy-3-phenylpropyl]amino}propanoyl)-l-proline
+CCNC(=O)C[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C	EAM	2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-n-ethylacetamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)OP(=O)(O)O)O	EAN	[(1~{s},2~{r},4~{r},6~{s},8~{r})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate
+CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C(=O)C	EAO	3-(3,4-dihydroxy-5-nitrobenzylidene)pentane-2,4-dione
+C(=COP(=O)(O)O)N	EAP	2-amino-vinyl-phosphate
+CC(C)(C)c1ccc(cn1)C(=O)NC2=C[N]3=C(N2)C=CC(=C3)c4c[nH]nc4	EAQ	6-~{tert}-butyl-~{n}-[6-(1~{h}-pyrazol-4-yl)-1~{h}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide
+CCOC(=O)CN1c2nc(cn2C(=O)C=C1C)c3ccc(cc3)Cl	EAR	ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate
+c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N	EAS	5-chloro-n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide
+C[C@H]1[C@H]([C@H]([C@@H](N1)c2[nH]c3ccccc3n2)O)O	EAT	(2s,3s,4r,5s)-2-(1h-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2ccco2)N3CCCCCC3)N	EAU	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide
+Cc1ccc2c(c1)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N	EAV	n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-6-methyl-l-tryptophanamide
+c1ccc(c(c1)NS(=O)(=O)N2CCCC2)Br	EAW	n-(2-bromophenyl)pyrrolidine-1-sulfonamide
+C([C@H]([C@H](C(=O)O)O)O)O	EAX	(2r,3r)-2,3,4-trihydroxybutanoic acid
+[H]/N=C\1/[C@@H](OC=CC=C1C(=O)O)O	EAY	(2r,3e)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid
+Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OC[C@H](CC(C)C)N	EAZ	(2~{s})-4-methyl-1-[5-(3-methyl-2~{h}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)Nc4ccc(cc4)F	EB0	1-ethyl-n-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+CCC(CC)(C=C\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O	EB1	seocalcitol
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCCC4	EB2	n-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCC4	EB3	n-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O	EB4	n,n',n''-[(3s,7s,11s)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)
+CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC	EB5	n,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+COc1ccc(c(c1)O)C#CC(=O)Oc2ccc(cc2)C[C@@H](C(=O)OC)Nc3ccccc3C(=O)c4ccccc4	EB6	methyl (2~{s})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate
+CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F	EB7	2-chloro-n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4C(=O)OC	EB8	methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate
+CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4	EB9	n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide
+Cc1ccc2c(c1C)N=C(NC2=O)CSc3ncccn3	EBB	7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{h}-quinazolin-4-one
+C(CNC(=O)CI)NC(=O)CI	EBC	n,n'-ethane-1,2-diylbis(2-iodoacetamide)
+Cc1cnc(nc1Nc2cc([nH]n2)C3CC3)Nc4ccc(cc4)CC#N	EBD	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl}amino)phenyl]acetonitrile
+Cc1ncc(cn1)c2ccc(cc2)[C@@H](c3ccccc3F)C(=O)NO	EBE	(2~{s})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{n}-oxidanyl-ethanamide
+COc1ccc2c(c1)OC(=O)C=C2	EBF	7-methoxychromen-2-one
+C1[C@@H](O1)CCO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	EBG	2-[(2s)-oxiran-2-yl]ethyl alpha-d-glucopyranoside
+C[C@@H](CBr)O	EBH	(2s)-1-bromopropan-2-ol
+C[C@]1(CCCN1c2nc(c3cccn3n2)Nc4cc(n[nH]4)C5CC5)C(=O)Nc6ccc(nc6)F	EBI	1-{4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-n-(6-fluoropyridin-3-yl)-2-methyl-l-proli namide
+c1c([nH]nn1)S	EBJ	1h-1,2,3-triazole-5-thiol
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCN(CC4)C)Cl	EBK	2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{n}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
+CC(C)NC(=O)c1ccccc1I	EBM	2-iodo-n-(1-methylethyl)benzamide
+[H]/N=C(\N)/NC1CCC(CC1)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc2ccc(c(c2)Cl)Cl	EBN	(s)-6-amino-n-((s)-6-amino-1-(((1r,4s)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide
+Cc1c(c(c(cn1)CP(=O)(O)O)/C=N/[C@@H](CCSCC[C@@H](C(=O)O)N)C(=O)O)O	EBO	(2~{s})-2-azanyl-4-[(3~{s})-3-[(~{e})-[2-methyl-3-oxidanyl-5-(phosphonomethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-butanoic acid
+CCOP(=O)(Cc1ccc(cc1)C)OCC	EBP	diethyl 4-methylbenzylphosphonate
+C[C@@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O	EBQ	(3s)-3-hydroxybutyl alpha-d-glucopyranoside
+CC1=C(/C(=C\N=C/Cc2ccc(cc2)O)/C(=CN1)COP(=O)(O)O)O	EBR	[(4z)-4-[[(z)-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1h-pyridin-3-yl]methyl dihydrogen phosphate
+CCN1c2ccc(cc2SC1=NN=C3N(c4ccc(cc4S3)S(=O)(=O)O)CC)S(=O)(=O)O	EBS	3-ethyl-2-[(2z)-2-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3h)-ylidene)hydrazino]-6-sulfo-3h-1,3-benzothiazol-1-ium
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](Cc1ccccc1)N)O	EBT	n-[(2r,3r)-3-amino-2-hydroxy-4-phenylbutanoyl]-l-leucine
+[H]/N=C(/N)\NCCC[C@H]1C(=O)N2CCC[C@@]2(CCCCn3cc(c4c3cccc4)C[C@@H](C(=O)N1)NC(=O)[C@H](Cc5ccccc5)N)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)O	EBU	pepide inhibtor
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N3C[C@H]4CN(C[C@H]4C3)Cc5c[nH]c6c5cc(cc6)Cl)N	EBV	(2s)-2-amino-1-[(3ar,6as)-5-[(5-chloro-1h-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1h)-yl]-3-(1h-indol-3-yl)propan-1-one
+C[N+](C)(CC=C)c1ccc(cc1)CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C	EBW	4-(5-{4-[dimethyl(prop-2-enyl)ammonio]phenyl}-3-oxopentyl)-n,n-dimethyl-n-prop-2-enylbenzenaminium
+CC[C@H](c1cc(co1)C(C)C)NC2=C(C(=O)C2=O)Nc3ccnc(c3O)C(=O)N(C)C	EBX	4-[[3,4-bis(oxidanylidene)-2-[[(1~{r})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{n},~{n}-dimethyl-3-oxidanyl-pyridine-2-carboxamide
+Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N	EBY	n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-5-methyl-l-tryptophanamide
+c1cc2c(cc(c(c2nc1)O)Cl)[N+](=O)[O-]	EC0	7-chloranyl-5-nitro-quinolin-8-ol
+c1ccc(cc1)[C@@H]2[C@H](N3C(=O)C=C(C(=C3S2)C4CC4)Cc5cccc6c5cccc6)C(=O)O	EC2	(2r,3r)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+c1cc2c(cc(c(c2nc1)O)CN3CCCC3=O)Cl	EC3	1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one
+c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N	EC4	6-chloro-n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide
+c1ccc(cc1)C[C@@H](C(=O)O)N2C(=O)C=C(C(=C2SO)C3CC3)Cc4cccc5c4cccc5	EC5	(2r)-2-[5-cyclopropyl-6-(hydroxysulfanyl)-4-(naphthalen-1-ylmethyl)-2-oxopyridin-1(2h)-yl]-3-phenylpropanoic acid
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CC)O	EC6	n-hexanoyl-l-valyl-n~1~-[(4s,5s,6r)-5-hydroxy-2,6-dimethyloctan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide
+CC(C(=O)N(CC1CC1)CC(C)(C)C2CCN(CC2)C)NC	EC7	(s)-n-(cyclopropylmethyl)-n~2~-methyl-n-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide
+c1ccc(c(c1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)F)O	EC8	n-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2h)-yl)-2-hydroxybenzamide
+CC(=O)Nc1cc(c2cccc(c2n1)O)Nc3ccccn3	EC9	n-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide
+c1cc(c(c(c1)O)O)C(=O)NCc2cc(cc(c2)CNC(=O)c3cccc(c3O)O)CNC(=O)c4cccc(c4O)O	ECA	n,n',n''-[benzene-1,3,5-triyltris(methylene)]tris(2,3-dihydroxybenzamide)
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO	ECB	1,3-dihydroxypropan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+C(CC(=O)N)[C@@H](CO)N	ECC	(4s)-4-amino-5-hydroxypentanamide
+C1[C@H](NC(=[NH2+])N1)CCC(=O)O	ECD	(4r)-4-(2-carboxyethyl)imidazolidin-2-iminium
+C1CCC(=O)OCC1	ECE	caprolactone
+c1cn(cn1)c2cc(nc3c2cc(cc3O)F)N	ECF	2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
+C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC	ECG	3-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C	ECH	beta,beta-caroten-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5N=C(NC6=O)N)CO)S)OP(=O)(O)S)O)N	ECI	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphinic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C(=O)C(=C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)N	ECJ	(5r)-5-(6-amino-9h-purin-9-yl)-2-({[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}methyl)-4-oxo-4,5-dihydrofuran-3-yl trihydrogen diphosphate
+c1cc(ccc1CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl	ECL	1-[(2r)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cccc6c5n(cc6C(=O)O)C)c7c(nn(c7C)C)C)Cl	ECM	7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}-1-methyl-1h-indole-3-carboxylic acid
+c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl	ECN	1-[(2s)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole
+C[C@]12CC[C@@H]3c4ccc(cc4C(=NOCC(=O)O)C[C@H]3[C@@H]1CC[C@@H]2O)O	ECO	estradiol-6 carboxyl-methyl-oxime
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C	ECP	(2e)-3-methyl-5-[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
+C[C@H]([C@H](C[C@@H]1CCNC1=O)N)O	ECQ	(3s)-3-[(2s)-2-amino-3-hydroxybutyl]pyrrolidin-2-one
+c1cc(c2c(cc(nc2c1O)N)n3ccnc3)F	ECR	2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O	ECS	2,3,17beta-trihydroxy-1,3,5(10)-estratriene
+Cc1cc2c(c(c1OC)O)[C@@H]3[C@@H]4[C@H]5c6c(c7c(c(c6OC(=O)C)C)OCO7)[C@@H]([N@]4[C@H]([C@H](C2)[N@@]3C)O)COC(=O)[C@@]8(CS5)c9cc(c(cc9CCN8)O)OC	ECT	ecteinascidin 743
+c1cc(c(c2c1c(cc(n2)N)n3ccnc3)O)Br	ECU	2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol
+CNC(=O)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F	ECV	2-[(3~{s})-7-fluoranyl-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{n}-methyl-ethanamide
+CCSC[C@@H](C(=O)O)N	ECX	s-ethyl-l-cysteine
+Cc1cc(cc(c1Cl)C)OCCCc2c3cccc(c3n4c2C(=O)N(CCC4)Cc5cccc(c5)C(=O)O)c6c(nn(c6C)C)C	ECY	3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}methyl)benzoic acid
+COc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F	ECZ	8-methoxy-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one
+CC(C)(C)OC(=O)N1CCC(CC1)C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4ccccc4c5cccc(c5)CCC(=O)O	ED1	3-{2'-[{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)sulfamoyl]biphenyl-3-yl}propanoic acid
+Cn1cc(nc1)S(=O)(=O)[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4	ED2	n-benzyl-n-(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1h-imidazole-4-sulfonamide
+Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3ccccc3Cl)C(=O)c4c(nn(c4O)C)C	ED3	3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione
+CC(C)(C)OC(=O)N1CCC(CC1)C[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4cn(cn4)C	ED4	tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)[(1-methyl-1h-imidazol-4-yl)sulfonyl]amino}methyl)piperidine-1-carboxylate
+Cc1ccccc1S(=O)(=O)[N@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)CC4CCN(CC4)C(=O)OC(C)(C)C	ED5	tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)[(2-methylphenyl)sulfonyl]amino}methyl)piperidine-1-carboxylate
+Cc1ccccc1S(=O)(=O)[N@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4	ED7	n-benzyl-n-(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide
+CN1CCC(CC1)Oc2ccc3c(c2)n(cn3)c4cc(c(s4)C(=O)N)OCc5ccccc5C(F)(F)F	ED8	5-{6-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)O)OCCCO)O)C	ED9	(1r,2r,3r,5z,7e,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
+c1cn2cnc3c(c2n1)ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	EDA	3-[2-deoxy-ribofuranosyl]-3h-1,3,4,5a,8-pentaaza-as-indacene-5'-monophosphate
+c1cc(cc(c1)N2/C(=N/C(=O)Nc3cccc(c3Cl)Cl)/C=C(N2)c4cccs4)CC(=O)N	EDB	2-{3-[(5e)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1h-pyrazol-1-yl]phenyl}acetamide
+c1cn2c(n1)C=CN(C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	EDC	n3,n4-etheno-2'-deoxycytidine-5'-monophosphate
+CC(C)(C)C1=CC(=NC(=O)Nc2cccc(c2Cl)Cl)N(N1)c3cccc(c3)CC(=O)N	EDD	2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1h-pyrazol-1-yl)phenyl]acetamide
+[H]/N=C(\CCCCNCCCNC(=O)CNC(=O)C[C@H]([C@H](CCC[C@H](C(=O)O)NC(=O)[C@H](CN)NC(=O)[C@H](CNC(=O)C[C@@H](c1ccc(cc1)O)N)O)N)O)/N	EDE	edeine b
+C[C@@H]1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4ccccc4)C	EDF	(3~{r})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{h}-quinoxalin-2-one
+C1[C@@H]([C@H]([C@@H](N1)CO)O)O	EDG	1,4-dideoxy-1,4-imino-l-arabinitol
+CCCN\1c2ccccc2N/C1=N\C(=O)c3cccc(c3)C(=O)N	EDH	n~1~-(1-propyl-1,3-dihydro-2h-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CN(C2=O)CCI	EDI	2'-deoxy-1-(2-iodoethyl)inosine
+CNC(=O)c1ccccc1Oc2c(cnc(n2)Nc3cc(c(c(c3)OC)OC)OC)Br	EDJ	2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-n-methylbenzene-1-carboximidic acid
+CN(CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4	EDK	(2~{s})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid
+CN(C)c1cc(nc(n1)S(=O)(=O)C)C=C	EDM	6-ethenyl-n,n-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine
+C(CN)N	EDN	ethane-1,2-diamine
+C(CO)O	EDO	1,2-ethanediol
+CCC[C@@H](C)C1(C(=O)NC(=S)NC1=O)CC	EDP	5-ethyl-5-[(2r)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
+CC[N+](C)(C)c1cccc(c1)O	EDR	edrophonium ion
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CNCCO)N)N)NC(=O)[C@H](CCN)O)O	EDS	(2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-{[(2s,3r)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2h-pyran-2-y l]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide
+C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O	EDT	{[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid
+C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O	EDU	2'-deoxy-5-ethynyluridine
+C[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#C)CO)O	EDV	1-(2-deoxy-2-methyl-beta-d-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1h,3h)-dione
+[H]/N=C(/N)\NCCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1	EDX	(2~{s})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid
+c1ccc(c(c1)CCO)NC(=O)Nc2cnns2	EDZ	1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea
+CCC[C@H](C(=O)O)N	EE0	(2~{r})-2-azanylpentanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C[C@H](C(=C5)C(=O)N)[C@H](CC(=O)O)C(=O)C(=O)O)O)O)O)OP(=O)(O)O)N	EE1	(3~{s})-3-[(4~{s})-3-aminocarbonyl-1-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{h}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid
+c1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)O	EE2	(2r)-2-(3-hydroxy-3-oxopropyl)-6-[(e)-[(2s)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1c(ocn1)C(=O)NCCCC[C@@H](C(=O)O)N	EE3	(2~{s})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid
+CCCOc1ccc(c(c1C(=O)c2ccc(cc2)C(=O)N[C@@H]3CNC[C@H]3NC(=O)c4ccc5c(c4)cn[nH]5)F)OC	EE4	n-[(3r,4r)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1h-indazole-5-carboxamide
+CC#Cc1ccc2c(c1C)N=C(NC2=O)CSc3ccc(cc3)C(=O)O	EE5	4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{h}-quinazolin-2-yl)methylsulfanyl]benzoic acid
+CC(=CCc1cc(ccc1O)C=C2C(=C(C(=O)O2)c3ccc(c(c3)CC=C(C)C)O)O)C	EE6	3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one
+Cc1c(ccc2c1cc(n2CCN3CCN(CC3)C(=O)CF)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F	EE7	1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+CCOc1ccc(cc1Cl)NC(=O)C	EE8	~{n}-(3-chloranyl-4-ethoxy-phenyl)ethanamide
+C[C@@H]1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4cncc5c4cccc5)C	EE9	(3~{r})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{h}-quinoxalin-2-one
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	EEA	n-{3-[3-(3'-chlorobiphenyl-4-yl)isoxazol-5-yl]propanoyl}-l-alpha-glutamyl-l-alpha-glutamyl-amide
+CCC(C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	EEB	uridine-diphosphate-3(n-acetylglucosaminyl)butyric acid
+c1ccc(cc1)c2cc(on2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	EEC	n-[3-(3-phenylisoxazol-5-yl)propanoyl]-l-alpha-glutamyl-l-alpha-glutamyl-amide
+C[C@]12C[C@@H]([C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)COC	EED	(9beta,11alpha,13alpha,14beta,17alpha)-11-(methoxymethyl)estra-1(10),2,4-triene-3,17-diol
+CCOC(=O)C	EEE	ethyl acetate
+c1ccc(cc1)c2ccc(cc2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	EEF	n-(3-biphenyl-4-ylpropanoyl)-l-alpha-glutamyl-l-alpha-glutamyl-amide
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	EEG	n-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-l-alpha-glutamyl-l-alpha-glutamyl-amide
+Cc1c2ccccc2sc1CC(=O)NC3CCC(CC3)CC(=O)N4CCN(C(=O)[C@@H]4Cc5ccccc5)CC(=O)NC	EEH	n-[4-[2-[(2s)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide
+CC(=O)N1CCC[C@@H](C1)C[C@@H](c2cc(c(nn2)Cl)c3ccc(cc3)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	EEJ	methyl (4-{6-[(1s)-2-[(3r)-1-acetylpiperidin-3-yl]-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate
+c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl	EEK	~{n}-(3,4-dichlorophenyl)-~{n}'-oxidanyl-propanediamide
+C1C[C@@H](N(C1)C(=O)C(CS)CS)C(=O)O	EEL	(2r)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid
+C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	EEM	[(3s)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C(F)F)O)O)O	EEN	2-deoxy-2-[(difluoroacetyl)amino]-alpha-d-galactopyranose
+C[C@H](CS)C(=O)N1CCCCC[C@@H]1C(=O)O	EEO	(2r)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid
+C[C@@](C[C@@H](C(=O)O)N)(CO)O	EEP	(2s,4r)-2-amino-4,5-dihydroxy-4-methylpentanoic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)CF)O)O)O	EEQ	2-deoxy-2-[(fluoroacetyl)amino]-alpha-d-galactopyranose
+C[C@H](CS)C(=O)N1CCCC[C@@H]1C(=O)O	EER	(2r)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid
+c1cc(ccc1n2c(c3cc(ccc3n2)O)Cl)O	EES	3-chloro-2-(4-hydroxyphenyl)-2h-indazol-5-ol
+CCCCC[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O	EET	(5~{z},11~{z},14~{r},15~{r})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5cc(nc(c5)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)O)O	EEU	estradiol-pyridinium tetraacetic acid
+Cc1c(ccc2c1cc(n2C[C@@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F	EEV	4-methyl-1-{[(2s)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OC	EEW	[(3~{r},4~{r},5~{s})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid
+C[C@H](CS)C(=O)N1CCc2ccccc2[C@@H]1C(=O)O	EEX	(1r)-2-[(2s)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1h-isoquinoline-1-carboxylic acid
+c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl	EEY	2-chloro-5-nitro-n-(pyridin-4-yl)benzamide
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(c(nc2)O[C@@H](C)c3ccccc3)Cl	EEZ	~{n}-[5-chloranyl-6-[(1~{s})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+C[C@H](CS)C(=O)N1CCC(CC1)C(=O)O	EF0	1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid
+CC(C)[C@H](NC(=O)CCc1ccccc1)P(=O)(C[C@@H](CCCCCN)C(=O)O)O	EF1	(2s)-7-amino-2-{[(r)-hydroxy{(1r)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid
+c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O	EF2	s-thalidomide
+[H]/N=C/c1c2c(cc(n1)c3ccc(c(c3)C(F)(F)F)OCCCN4CCN(CC4)C)n(cn2)C	EF3	(e)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1h-imidazo[4,5-c]pyridin-4-yl)methanimine
+CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@H]([C@H]([C@@H](C/C=C/C=C1)C)O)C)C)O)C)C)O)C)C	EF4	oligomycin c
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3)c4ccccc4	EF5	2-(4-ethylsulfonylphenyl)-~{n}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide
+c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl	EF6	n~1~-(3-chloro-1h-indol-7-yl)benzene-1,4-disulfonamide
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OCCCCCCN=[N+]=N	EF8	6-[[(3~{r},4~{r},5~{s})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium
+C[C@H](CS)C(=O)N1CCC[C@@H](C1)C(=O)O	EF9	(3s)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid
+C#Cc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O)N	EFA	5'-deoxy-2-ethynyl-5'-fluoroadenosine
+CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)C(=O)C[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C	EFB	oligomycin b
+C(CSSC[C@@H](C(=O)O)N)F	EFC	s,s-(2-fluoroethyl)thiocysteine
+Cc1cccc(c1C(=O)N2CCC[C@@H]([C@@H]2c3ccc(cc3)NC4CCCC4)C(=O)Nc5ccc(c(c5)C(F)(F)F)C)F	EFD	avacopan
+C[N@+]12[C@@H]3CS[C@H]1[C@@H]4CSC5=[N+]4[Fe@]2(Oc6c5cccc6)OC3=O	EFE	enantio-pyochelin fe(iii)
+C[C@H](CS)C(=O)N1CCC(CC1)C(=O)N	EFF	1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide
+c1cn-2c(n1)NC(=O)c3c2n(cn3)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F	EFG	1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-1h-imidazo[2,1-b]purin-4(5h)-one
+O[Mo]=O	EFK	oxidanyl(oxidanylidene)molybdenum
+CC1(C(=O)Nc2ccc(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)C	EFL	5-bromo-n-(2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide
+CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)OC)C	EFM	5-bromo-2-methoxy-n-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)benzene-1-sulfonamide
+CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)O)C	EFN	5-bromo-n-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide
+CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C	EFO	oligomycin a
+CC(=O)NC1CC(C1)n2cc(nc2)NC(=O)Cc3ccc(cc3)OC	EFP	n-{1-[cis-3-(acetylamino)cyclobutyl]-1h-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide
+COc1ccc(cc1)CC(=O)Nc2cn(cn2)C3CC(C3)O	EFQ	n-[1-(cis-3-hydroxycyclobutyl)-1h-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide
+C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)N	EFR	2-[1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide
+CCOP(=O)(O)O	EFS	ethyl dihydrogen phosphate
+c1cc2c(cc1O)[nH]nc2[C@@H](CC3CCCCC3)C#N	EFT	(2r)-3-cyclohexyl-2-(6-hydroxy-1h-indazol-3-yl)propanenitrile
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccccc4	EFU	n-benzyl-6-hydroxy-n-methyl-3-(3-methylbenzyl)-1h-indazole-5-carboxamide
+COc1cc(cnc1OC)c2ccc3c(n2)CN(C3=O)c4cnn(c4)CC#N	EFV	{4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-1h-pyrazol-1-yl}acetonitrile
+c1cc(ncc1C(=O)N)N[C@@H]2CC[C@H](C2)O	EFW	6-{[(1r,3r)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide
+COC(=O)c1cccc(c1)c2cccc(c2)C(=O)O	EFX	3-(3-methoxycarbonylphenyl)benzoic acid
+CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4	EFY	n-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
+c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F	EFZ	(-)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-2h-3,1-benzoxazin-2-one
+C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)O	EG0	2-[1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid
+c1cc(ccc1C(=O)NCCOCCOCCNC(=O)CN)S(=O)(=O)N	EG1	aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
+c1cc(ccc1C(=O)NCCOCCOCCN)S(=O)(=O)N	EG2	aminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
+c1ccc(cc1)C[C@@H](C(=O)NCCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N)N	EG3	phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)O)C=C6	EG5	(3~{s},7~{r},10~{r},13~{r})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NC(CO)C(=O)O	EG6	n-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-l-serine
+Cc1cc(n[nH]1)Nc2ccc(c(n2)C[C@]3(CCN([C@@H](C3)C)Cc4cccc(c4F)Cl)C(=O)O)F	EG7	(2r,4r)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid
+c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3	EG8	n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine
+CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	EGA	ethyl beta-d-galactopyranoside
+CC1(CC2=C([C@@H](NC(=S)N2)c3cccc(c3)O)C(=O)C1)C	EGB	(4s)-4-(3-hydroxyphenyl)-7,7-dimethyl-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1h)-one
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	EGC	2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-tetramethyl-butyl)-phenoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethox y}-ethoxy)-ethanol
+[H]/N=C(\N)/NCC	EGD	n-ethylguanidine
+c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3cc(c(cc3N)O)C(=O)O	EGE	4-azanyl-2-oxidanyl-5-[(~{e})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
+Cc1cc(no1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]2[C@@H](OCC/C=C/COC(=O)/C=C\[C@@H](NC2=O)C[C@@H]3CCNC3=O)c4ccccc4	EGF	~{n}-[(2~{s})-1-[[(2~{s},3~{s},6~{s},7~{z},12~{e})-4,9-bis(oxidanylidene)-6-[[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
+c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O	EGG	(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate
+COc1cc2c(c(c1OC)OC)[C@@H](CC(=O)N2)c3cc(ccc3F)Br	EGH	(4~{r})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{h}-quinolin-2-one
+C[C@H]1C[C@](CCN1Cc2cccc(c2F)Cl)(Cc3c4ccccc4cc(n3)Nc5nccs5)C(=O)O	EGJ	(2s,4r)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid
+C(CO)O	EGL	ethylene glycol
+CCc1ccc(cc1)C(=O)O	EGM	4-ethylbenzoic acid
+CCN1c2ccccc2C(=CC1=O)SCC(=O)N3CC[NH+](CC3)C4CCCCC4	EGN	4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one
+Cc1cnn(c1c2ccc(c(c2)F)Cl)c3ccc(c(c3)C(=O)O)OCc4ccccc4	EGO	5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid
+CN1CCN(CC1)Cc2cn(c3c2ccc(c3)NC(=S)NCCc4c[nH]c5c4cccc5)CC(=O)N6CCOCC6	EGP	n-[2-(1h-indol-3-yl)ethyl]-n'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1h-indol-6-yl}thiourea
+CCOC(=O)c1cc(c(c(c1)O)O)O	EGR	ethyl 3,4,5-trihydroxybenzoate
+c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O	EGT	2-(3,4,5-trihydroxy-phenyl)-chroman-3,5,7-triol
+CN(c1cc(c(cc1C(=O)O)F)Cl)C(=O)c2c(sc(n2)N3Cc4ccc(cc4C3)OC)Cl	EGU	4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid
+[H]/N=C(/N)\NC[C@H](CC(=O)C(=O)O)O	EGV	(4s)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid
+c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N3CCC(CC3)c4ccc(cc4)F	EGW	4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide
+c1ccc2c(c1)C(=O)c3cccc(c3C2=O)c4cnn(c4)C5CCNCC5	EGX	1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione
+CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C	EGY	(4r,7r)-4-hydroxy-n,n,n-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium
+C1[C@H](NC(=O)C2=C1O[C@@H]3[C@H](S2)[C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)O	EGZ	(3~{r},5~{r},6~{s},7~{s},8~{r},13~{s})-5-(hydroxymethyl)-7-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-11-oxidanylidene-2,4-dioxa-9-thia-12-azatricyclo[8.4.0.0^{3,8}]tetradec-1(10)-ene-13-carboxylic acid
+c1cc(ccc1CNC(=O)c2c(c(on2)c3cc(c(cc3O)O)Cl)c4cc(c(c(c4)F)OCCCC(=O)O)F)C(=O)O	EH0	4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid
+c1cc(ccc1C2CCCCC2)C(=O)O	EH1	4-cyclohexylbenzoic acid
+c1ccc(c(c1)/C=C/c2cccs2)C(=O)O	EH2	2-[(~{e})-2-thiophen-2-ylethenyl]benzoic acid
+CS(=O)(=O)N1CCC(CC1)Oc2ccc(cc2)c3c(onc3C(=O)NCC4CCC(CC4)C(=O)O)c5cc(c(cc5O)O)Cl	EH3	4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid
+COc1cc(cc(c1OCc2ccccc2)OC)C(=O)N[C@@H](Cc3ccccc3)[C@H](CN(CCC4CCC5C(C4)OCO5)C(=O)CCN6C(=O)c7ccccc7C6=O)O	EH5	n-(1-benzyl-3-{[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionyl]-[2-(hexahydro-benzo[1,3]dioxol-5-yl)-ethyl]-amino}-2-hydroxy-propyl)-4-benzyloxy-3,5-dimethoxy-benzamide
+c1ccc(cc1)c2c(cccc2Cl)Nc3ccccc3C(=O)O	EH6	2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid
+Cn1cnc(c1c2ccncc2)c3ccccc3	EH8	4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine
+CCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N	EH9	(2s,3r)-3-(6-amino-9h-purin-9-yl)nonan-2-ol
+CCCc1c2ccc(cc2ccc1OCCCOc3ccc4c(c3)ccn4CC(=O)O)C(=O)c5ccccc5	EHA	(5-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propoxy}-1h-indol-1-yl)acetic acid
+CCN\1c2cc(ccc2S/C1=C\C(=O)C)O	EHB	(1z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3h)-ylidene)propan-2-one
+c1ccc(c(c1)C(=O)O)Nc2cccc(c2c3ccc4c(c3)CCO4)Cl	EHC	2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid
+CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5ccccc5nc4C3=C2)O	EHD	4-ethyl-4-hydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione
+CC1=CC(=O)N(N=C1c2ccccc2)C3CCNCC3	EHE	5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one
+CC[C@](C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O	EHF	(2s)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2OCCO)N	EHG	9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-(2-hydroxyethoxy)-9h-purin-2-amine
+Cc1cc(cc(c1c2c(n(cn2)C)c3ccncc3)C)CN	EHH	[3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine
+CC1=CC(=O)N(N=C1c2ccncc2)C3CCNCC3	EHK	5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one
+Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-]	EHL	5-methyl-n-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
+C([C@H]([C@H](C(=O)NO)O)O)O	EHM	(2r,3r)-n,2,3,4-tetrahydroxybutanamide
+CC	EHN	ethane
+c1ccc(cc1)Nc2ccccc2C(=O)O	EHO	2-phenylazanylbenzoic acid
+c1cc(cc(c1)O)C[C@@H](C(=O)O)N	EHP	3-hydroxyphenylalanine
+Cc1c(c(on1)C)c2c(c[nH]n2)c3ccncc3	EHQ	3,5-dimethyl-4-(4-pyridin-4-yl-1~{h}-pyrazol-3-yl)-1,2-oxazole
+c1ccc(cc1)c2ccccc2Nc3ccccc3C(=O)O	EHR	2-[(2-phenylphenyl)amino]benzoic acid
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O	EHS	2s-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-[(2s)-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-hydroxy-propanoyl]oxy-propanoic acid
+Cc1c(c(on1)C)c2c(n(cn2)C)c3ccncc3	EHT	3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole
+CNc1ccc(c(c1Cl)c2ccccc2)Nc3ccccc3C(=O)O	EHU	2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid
+Cc1cccc(c1C(=O)C[C@@H](C(=O)O)O)Br	EHV	(2s)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid
+Cc1c(c(on1)C)c2c(n(cn2)C)c3ccnc4c3ccc(c4)F	EHW	4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole
+c1ccc2c(c1)C3=CC=CC[C@@]3(N2)OO	EHX	(9ar)-9a-(dioxidanyl)-1,9-dihydrocarbazole
+c1ccc(cc1)CCNC(=S)Nc2cccnc2	EHY	n-(2-phenylethyl)-n'-pyridin-3-ylthiourea
+CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)O	EHZ	~{s}-[2-[3-[[(2~{r})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{s})-3-oxidanyltetradecanethioate
+CCc1c2cc(ccc2nn1c3ccc(cc3)O)O	EI1	3-ethyl-2-(4-hydroxyphenyl)-2h-indazol-5-ol
+Cc1ccc(nc1)c2ccc(cn2)C	EI3	5-methyl-2-(5-methylpyridin-2-yl)pyridine
+C1CNCC2=C1C(=O)NO2	EI7	4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
+c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccc(cc2)C#N)c3ccc4c(c3)C(=O)NC=C4	EI8	3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride
+c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccncc2)c3ccc4c(c3)C(=O)NC=C4	EI9	3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride
+CCCCC\C=C/C\C=C/CCCCCCCC(=O)O	EIC	linoleic acid
+CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)N=[N+]=[N-]	EIE	ethyl 8-[(azanylidene-$l^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{h}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC	EIJ	(2s)-1-{[(s)-hydroxy{[(1s,2r,3r,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5e,8e,11e,14e)-icosa-5,8,11,14-tetraenoate
+C[C@H](CCCC(C)(C)O)[C@H]1C[C@@H]([C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OC	EIM	(1r,3s,5z)-5-[(2e)-2-[(1r,3s,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-3-methoxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O	EIN	(1s)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid
+C[C@@H]1COCCN1c2cc(nc(n2)SC)C3(CC3)[S+](=N)(=N)=O	EIO	(3r)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine
+C[C@@H](CCO[P@](=O)(O)OP(=O)(O)O)CO	EIP	4-hydroxy-3-methyl butyl diphosphate
+CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O	EIS	n-{(2s,3r,4e)-3-hydroxy-1-[(3-o-sulfo-beta-d-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCn3ccnc3	EIT	((3r,4r,5r)-4-(2-(1h-imidazol-1-yl)ethoxy)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-tetrahydrofuran-2-yl)methyl dihydrogen phosphate
+Cn1cncc1[N+](=O)[O-]	EIV	1-methyl-5-nitro-1h-imidazole
+[H]/N=C(\N)/NCCC\C(=N/C=C\1/C(=CNC(=C1O)C)COP(=O)(O)O)\C(=O)O	EJ1	(2e)-5-carbamimidamido-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}pentanoic acid
+[H+]([Fe](C#N)(C#N)C#[O+])[Ni]	EJ2	ni-fe reduced active center
+c1ccc2c(c1)c3c([nH]2)[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8	EJ4	(4bs,8r,8as,14br)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9h)-diol
+c1cc(ccc1CCCC2=C(N=C(NC2=O)N)O)C(=O)O	EJ5	4-[3-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)propyl]benzoic acid
+Cc1ccc(c(c1C)[C@@H](C)[C@@H](C2=NNC(=O)O2)NS(=O)(=O)c3ccc(c4c3OCCN4C)Cl)F	EJ6	5-chloro-n-((1s,2r)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2h-benzo[b][1,4]oxazine-8-sulfonamide
+C[C@]1([C@H]2C[C@H]2OC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OC	EJ7	n-{3-[(1r,5s,6r)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide
+c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)CSCP(=O)(O)O)P(=O)(O)O	EJ8	[(2~{r},4~{a}~{r},6~{r},7~{a}~{r})-6-[2,4-bis(oxidanylidene)-5-(phosphonomethylsulfanylmethyl)pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{h}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
+Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)CCCO4)C	EJ9	(2s)-2-[2-(3,4-dihydro-2h-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+C([C@@H](C(=O)O)N)S/C(=N\O)/CC(=O)O	EJA	s-[(1z)-2-carboxy-n-hydroxyethanimidoyl]-l-cysteine
+CCc1c(cccn1)CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O	EJB	7-[5-s-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CCCOc1ccc2c(c1)cc[nH]2	EJC	5-propoxy-1h-indole
+c1cc(ccc1c2ccsc2)C(=O)O	EJD	4-(thiophen-3-yl)benzoic acid
+Cc1cc(cc(c1c2c(n(cn2)C)c3ccnc4c3ccc(c4)F)C)CN	EJE	[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2cc3ccccc3[nH]2	EJF	n-[(2s)-3-methyl-1-[[(2s)-4-methyl-1-oxidanylidene-1-[[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1h-indole-2-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@H](P(=O)(O)O)Cl)O)O	EJH	[(~{s})-chloranyl-[[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphonic acid
+c1cc(c(cc1c2c(c(c(c(c2F)F)C#N)F)F)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	EJK	4-[3-chloranyl-4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile
+CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CC(=O)CCCC(=O)O	EJL	(9z,12z,15z,18z,21z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid
+c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	EJN	(2~{r},3~{s},4~{s},5~{s},6~{r})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol
+CCN(CC)c1ccc2c(c1)OC(=O)C=C2	EJO	7-(diethylamino)chromen-2-one
+CN1c2ccc(cc2OC[C@@H](C1=O)N3CCc4c(nn(c4Cl)Cc5ccccc5)C3=O)C#N	EJP	(3s)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile
+c1cc(ccc1NC(=O)CN2CCCC2)F	EJQ	~{n}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide
+Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F	EJR	n-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+C[C@H]1[C@H]([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3nc(no3)COC)F)C(=O)Nc4ccc5c(c4)c[nH]n5	EJS	(4r,5r,6s)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-n-(2h-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide
+c1c(cc(cc1C(=O)NCCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)NCCCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CN=[N+]=[N-]	EJT	1,3-di(n-propyloxy-a-mannopyranosyl)-carbomyl 5-methyazido-benzene
+CN(C)Cc1ccc(cc1)c2ccc(n3c2nnc3)NCc4ccccc4OC	EJU	8-[4-[(dimethylamino)methyl]phenyl]-n-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
+CCCCCCCc1ccc(cc1)C(=O)O	EJV	4-heptylbenzoic acid
+c1ccc(cc1)c2cc(on2)C[NH3+]	EJW	(3-phenyl-1,2-oxazol-5-yl)methylazanium
+c1ccc(cc1)Cc2[nH]c3ccc(cc3n2)[N+](=O)[O-]	EJY	2-benzyl-5-nitro-1h-benzimidazole
+C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-]	EJZ	5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(ccc1c2c3c([nH]n2)CCCC3)Cl	EK0	3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1h-indazole
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C[C@@H](Cc4ccccc4)C(=O)O	EK1	(2r)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid
+c1c(cc(cc1Cl)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N4CCOCC4	EK2	{4-[4-(3,5-dichlorophenyl)-1h-pyrazol-5-yl]-1h-pyrrol-2-yl}(morpholin-4-yl)methanone
+c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)NC4CCCCC4)F	EK3	n-cyclohexyl-4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridin-2-amine
+c1ccc(cc1)[C@@H](CO)NC(=O)c2cc(c[nH]2)c3c(cn[nH]3)c4cccc(c4)C(F)(F)F	EK4	n-[(1s)-2-hydroxy-1-phenylethyl]-4-{4-[3-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}-1h-pyrrole-2-carboxamide
+c1cc(cc(c1)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)NCc4ccc5c(c4)CCO5	EK5	4-[4-(3-chlorophenyl)-1h-pyrazol-5-yl]-n-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1h-pyrrole-2-carboxamide
+CCOC(=O)CNCc1ccc(cc1Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N[C@H](CO)c4ccc(c(c4)Cl)F	EK6	ethyl n-{2-chloro-4-[5-(5-{[(1s)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]carbamoyl}-1h-pyrrol-3-yl)-1h-pyrazol-4-yl]benzyl}glycinate
+CN(C)c1c-2c(c(s1)C#N)CCc3c2nc(nc3)Nc4cccc(c4)O	EK7	9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)N3CCCCC3)C[C@@H](Cc4ccccc4)C(=O)O	EK8	(2r)-2-benzyl-3-[3-({[4-(piperidin-1-yl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid
+Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)c4ccccc4	EK9	n-[(1s)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1h-pyrrole-2-carboxamide
+C1CCC(CC1)N(C(=O)C(=O)O)O	EKA	[cyclohexyl(hydroxy)amino](oxo)acetic acid
+CCc1c(c(nc(n1)N)N)C#CCc2cc(c(c(c2)OC)OC)OC	EKB	6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
+C1CCC(CC1)NC(=O)C(=O)O	EKD	(cyclohexylamino)(oxo)acetic acid
+C[C@H]([C@H](CCC(=O)O)N)O	EKE	(4s,5r)-4-amino-5-hydroxyhexanoic acid
+CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5	EKF	n-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O	EKG	(2r)-2,3-dihydroxypropyl hexadecanoate
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Cl	EKH	 5-chlorotubercidin
+C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOC	EKJ	4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Br	EKK	5-bromotubercidin
+CCn1c2ccc(cc2c3c1ccc(c3)OC4CCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC	EKL	6-cyclobutyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
+C[n+]1ccc(c2c1cccc2)/C=C/Cc3[n+](c4ccccc4s3)C	EKM	1-methyl-4-[(1e)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium
+C(CN[C@@H](CC(=O)O)C(=O)O)N	EKN	(2~{s})-2-(2-azanylethylamino)butanedioic acid
+c1cc(ccc1CO[C@H](Cc2c[nH]cn2)c3ccc(cc3Cl)Cl)Cl	EKO	4-[(2r)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole
+Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3cccc(c3)C4CC4)Cc5ccc(cc5)C(C)(C)C(=O)O)C	EKP	2-{4-[(5-{[(1r)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1h-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid
+C(CN[C@@H](CC(=O)O)C(=O)O)N[C@@H](CC(=O)O)C(=O)O	EKQ	(2~{s})-2-[2-[[(2~{s})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]butanedioic acid
+CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4OCC5	EKR	n-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)C(C)(C)C)Cc4cccc(c4)OC(C)(C)C(=O)O)C	EKS	2-{3-[(5-{[(1s)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1h-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid
+CC(C)CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)C1(C)C)C	EKT	2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one
+c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O	EKU	1,3,5,8-tetrakis(oxidanyl)xanthen-9-one
+CCN(CC#CC#CC(C)(C)OC)Cc1cccc(c1)OC[Si](C)(C)c2ccccc2C	EKV	n-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-n-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine
+C[C@H](CS)C(=O)N1CCc2ccccc2[C@H]1C(=O)O	EKX	(1s)-2-[(2s)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1h-isoquinoline-1-carboxylic acid
+CC(C)(C)c1ccc(c(c1)O)O	EKZ	4-tert-butylbenzene-1,2-diol
+Cc1c2cc[nH+]cc2c(c3c1[nH]c4c3cccc4)C	EL	ellipticine
+CNC(=O)c1ccc(cc1O[C@@H]2CCN(C2)C(=O)c3ccc(s3)Br)c4ccccc4NS(=O)(=O)C	EL1	3-({(3r)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-n-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide
+CNC(=O)c1ccc2c(c1)nc(n2[C@@H]3CCC[C@@H](C3)NC(=O)c4ccc(s4)Br)c5ccccn5	EL2	1-[(1r,3s)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-n-methyl-2-(pyridin-2-yl)-1h-benzimidazole-5-carboxamide
+C[C@H]1CCC2=C(C([C@H]3CC[C@@]12C3)(C)C)C	EL3	(3s,3ar,6s)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1h-3a,6-methanoazulene
+C/C=C/1\[C@@H](C(=O)N\C1=C/C2=N/C(=C\c3c(c(c([nH]3)/C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C	EL5	biliverdin
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCCCC	EL6	[(2s)-2-octadecanoyloxypropyl] octadecanoate
+CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	EL7	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]heptadecanamide (non-preferred name)
+C[C@H](CCCCC(=O)NO)NC1=C(C(=O)C1=O)Nc2ccc(cc2)OC(F)(F)F	EL8	(6~{r})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{n}-oxidanyl-heptanamide
+CN1C=CN2[C]1[Pt]3(c4cc(cc(c4C5=[N]3C=CC=C5)F)F)[N]6=C2C=CC=C6	EL9	cyclometalated-carbene platinum(ii) complex
+CCCCCCCC\C=C\CCCCCCCC(=O)O	ELA	9-octadecenoic acid
+c1cc(c2c(c1)N(C(=O)N2)C3CCN(CC3)C(=O)Nc4ccc(cc4)I)N	ELB	4-(4-azanyl-2-oxidanylidene-3~{h}-benzimidazol-1-yl)-~{n}-(4-iodophenyl)piperidine-1-carboxamide
+CCCCCCCCC=CCCCCCCCC(=O)N	ELD	(9e)-octadec-9-enamide
+C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O	ELE	2-keto 3 deoxy 6 phospho gluconate
+C1C[C@H](C(=O)NC1)C[C@@H](C=O)N	ELF	(2s)-2-azanyl-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propanal
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2cccc(c2)CCCCC)O)O	ELG	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(3-pentylphenyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2h-pyran-2-yl]oxy}octanamide
+c1ccc2c(c1)cccc2c3nc(cs3)C(=O)O	ELH	2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid
+CC1=C(C(=O)c2ccccc2C1=O)CCCCCC(=O)O	ELI	6-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hexanoic acid
+Cc1ccc(cc1)C(C)C.c1ccc(cc1)NC2=[S][Os]([N]3=C2C=CC=C3)Cl	ELJ	chlorido(eta-6-p-cymene)(n-phenyl-2-pyridinecarbothioamide)osmium(ii)
+Cc1ccc(cc1OC)NC(=O)N2CCC(CC2)N3c4cccc(c4NC3=O)OC	ELK	~{n}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{h}-benzimidazol-1-yl)piperidine-1-carboxamide
+C1CNC(=O)[C@@H]1C[C@@H](C=O)N	ELL	(2s)-2-azanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propanal
+CCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	ELM	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetra hydro-2h-pyran-2-yl]oxy}octan-2-yl]dodecanamide
+c1cc(ccc1NC(=O)CC#N)Cl	ELN	~{n}-(4-chlorophenyl)-2-cyano-ethanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@](C)(c2ccccc2)P(=O)(O)O)O	ELP	(1r)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]-1-phenylethylphosphonic acid
+CN1CCN(CC1)C(=O)c2ccc(c(c2)F)F	ELQ	[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone
+C[C@@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O	ELR	phosphono [(3~{s},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2ccc(cc2)CCCCC)O)O	ELS	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetr ahydro-2h-pyran-2-yl]oxy}octan-2-yl]hexacosanamide
+CCOP(=O)(N(C)C)O	ELT	ethoxy-~{n},~{n}-dimethyl-phosphonamidic acid
+C[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O	ELU	phosphono [(3~{r},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
+CC(C)[C@@H](CO)N1C=C(C(=O)c2c1cc(c(c2)Cc3cccc(c3F)Cl)OC)C(=O)O	ELV	6-(3-chloro-2-fluorobenzyl)-1-[(1s)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+CN1C=C[C@](C1=O)(C#Cc2ccnc(c2)n3c4ccc(cc4c(n3)C(=O)N)F)O	ELW	5-fluoranyl-1-[4-[2-[(3~{r})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C	ELX	(2~{e},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
+CCN(CC)CCCC[C@@H](C(=O)O)N	ELY	n~6~,n~6~-diethyl-l-lysine
+CN1CC[C@](C1=O)(C#Cc2ccc3c(c2)-c4nc(c(n4CCO3)C(=O)NC5CCOCC5)C(=O)N)O	ELZ	10-[2-[(3~{r})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{n}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nn4)c5cccc(c5)N)C	EM1	(3as,4r,7s,9r,10r,11r,13r,15r,15ar)-1-{4-[4-(3-aminophenyl)-1h-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+C#Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O	EM2	(6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	EM4	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]hexacosanamide
+c1c(c(cc(c1S(=O)(=O)N)Cl)NC2CCCCC2)C(=O)NCCO	EM5	4-chloranyl-2-(cyclohexylamino)-~{n}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
+CCC1=C(N=C2C(=CNN2C1=O)C#N)C	EM6	6-ethyl-5-methyl-7-oxidanylidene-1h-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CNC(=O)c1c(ncc(n1)c2cccc(c2)c3[nH]nnn3)N	EM7	3-amino-n-methyl-6-[3-(1h-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide
+C[C@H](CC(=O)O)c1cccc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F	EM8	(3~{r})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid
+CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4C[C@H]([C@@H]([C@]4(CC3)C)O)Cl)O	EM9	n-butyl-11-[(7alpha,9beta,13alpha,14beta,16alpha,17alpha)-16-chloro-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-n-methylundecanamide
+c1nc(c2c(n1)n(cn2)CCOC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N	EMA	(adenin-9-yl-ethoxymethyl)-hydroxyphosphinyl-diphosphate
+CCOC(=O)NC	EMB	methyl-carbamic acid ethyl ester
+CC[Hg+]	EMC	ethyl mercury ion
+C[C@@H]1C(=NNC(=O)S1)c2ccc3c(c2)CCCN3C(=O)c4ccc(c(c4)OC)OC	EMD	5-[1-(3,4-dimethoxy-benzoyl)-1,2,3,4-tetrahydro-quinolin-6-yl]-6-methyl-3,6-dihydro-[1,3,4]thiadiazin-2-one
+CN[C@@H](CCC(=O)O)C(=O)O	EME	n-methyl-l-glutamic acid
+CCOC(=O)[C@H]1C[C@@H]1c2ccc(c(c2)OC)O	EMF	ethyl (1s,2s)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate
+CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	EMG	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]icosanamide
+CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C	EMH	9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5h-benzo[b]carbazole-3-carbonitrile
+CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	EMJ	2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione
+CC[C@@H]1[C@@]([C@@H]([C@H]([N@](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N@](C)CCCc4cn(nn4)[C@H](CF)[C@@H](c5ccc(cc5)S(=O)(=O)C)O)O)(C)O)C)C)C)O)(C)O	EMK	(2r,3s,4r,5r,8r,10r,11r,12s,13s,14r)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-[(3,4,6-trideoxy-3-{[3-(1-{(1s,2r)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}-1h-1,2,3-triazol-4-yl)propyl](methyl)amino}-beta-d-xylo-hexopyranosyl)oxy]-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranoside
+CC[N@](Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO	EML	2-{ethyl[(5-{[6-methyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol
+CN(C=C)C(=O)O	EMM	[methyl(vinyl)amino]methanol
+C[C@H](COCCOC)COC[C@H](C)N	EMN	(2s)-1-{[(2s)-3-(2-methoxyethoxy)-2-methylpropyl]oxy}propan-2-amine
+Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O	EMO	3-methyl-1,6,8-trihydroxyanthraquinone
+CCN[C@H]1CO[C@H](C[C@@H]1OC)O	EMP	2,4-dideoxy-4-(ethylamino)-3-o-methyl-alpha-l-threo-pentopyranose
+CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c4ccccc4	EMQ	1-[2-(dimethylamino)ethyl]-3-{[(2r,4as,5r,10bs)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2h-pyrano[3,2-c]quinolin-2-yl]methyl}urea
+C1COCCN1CCN	EMR	n-aminoethylmorpholine
+[H]/N=C(\N)/NC\C=C\C(=N/C=C\1/C(=CNC(=C1O)C)COP(=O)(O)O)\C(=O)O	EMS	(2e,3e)-5-carbamimidamido-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}pent-3-enoic acid
+CC[Hg]Sc1ccccc1C(=O)O	EMT	2-(ethylmercuri-thio)-benzoic acid
+c1ccc(cc1)CNc2c3c([nH]cn3)ncn2	EMU	n-benzyl-9h-purin-6-amine
+CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(c1)OCc2cc(cs2)c3ccsc3	EMV	(2e)-n-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-n-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine
+Cc1cc(ccc1NC(=O)N2CCN([C@H](C2)C)c3c4cnn(c4nc(n3)N)C)OC	EMW	(3~{s})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{n}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide
+COC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	EMZ	6-o-methyl-beta-d-galactopyranose
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)/C(=C(\F)/P(=O)(O)O)/O)CCOP(=O)(O)OP(=O)(O)O	EN0	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(z)-2-fluoro-1-hydroxy-2-phosphonoethenyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+c1cc(ccc1/C=C(\C(=O)O)/O)O	EN1	(2e)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
+CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(cc2)F	EN2	~{n}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
+c1cc2cc(c1)OCC/C=C/CCOc3cccc(c3)CC(=O)Nc4nnc(s4)CCCCc5ccc(nn5)NC(=O)C2	EN3	(e)-15,22-dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione
+C1CCC(C1)N(C(=O)C(=O)O)O	EN4	[cyclopentyl(hydroxy)amino](oxo)acetic acid
+C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCN	EN5	n-(10-aminodecanoyl)-l-seryl-n-(2-cyclohexylethyl)-l-lysinamide
+Cc1c(c(n(n1)c2cccc3c2sc(c3)Cc4cccc(c4)C(F)(F)F)CO)C(=O)NCCO	EN6	n-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide
+C[C@@]1([C@](Oc2cc(ccc2O1)N)(C)OC)OC	EN8	(2~{r},3~{r})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine
+c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2F)c3ncon3)[C@H](CCC(F)(F)F)C(=O)N)Cl	EN9	(2r)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[n+]6c5[nH]cc6)O)O)O)O)C(=O)N	ENA	etheno-nad
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](c2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C	ENB	ethyl (2e,4s)-4-[((2r)-2-{[n-(tert-butoxycarbonyl)-l-valyl]amino}-2-phenylethanoyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+CC[N+]#C	ENC	ethyl isocyanide
+C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@@H]([C@H](O4)CO)O)O[C@H]3[C@@H]2O	END	1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-d-glycero-d-allo-d-gulo-heptadeca-2,13-dienitol
+C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@H]5[C@H](O4)C\C=C/[C@@H]([C@H](O5)CO)O)O[C@H]3[C@@H]2O	ENE	(4z)-2,8:7,12:11,15:14,18:17,22-pentaanhydro-4,5,6,9,10,13,19,20,21-nonadeoxy-d-arabino-d-allo-d-allo-docosa-4,9,20-trienitol
+CCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1	ENF	n-{(5e)-10-[(9e)-tetradec-9-enoylamino]dec-5-enoyl}-l-seryl-n-(2-cyclohexylethyl)-l-lysinamide
+c1cc(c(cc1O)Br)C(=O)C=C(C(=O)O)O	ENG	(2z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+CN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	ENH	1,7,8,9,10,10-hexachloro-4-methyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione
+C1=C([C@H](C(=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)S)S(=O)(=O)O)C=S	ENJ	(4s)-5-methanethioyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic s-acid
+c1ccc(cc1)c2nc(on2)CN	ENK	(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine
+C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O	ENL	(1r,2s,3r,4s)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
+C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)CCOCc5cc(cc(c5)F)F	ENM	(5s,8r,9s,10s,13r,14s,17s)-13-{2-[(3,5-difluorobenzyl)oxy]ethyl}-17-hydroxy-10-methylhexadecahydro-3h-cyclopenta[a]phenanthren-3-one
+CCCCNC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N	ENN	~{n}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide
+c1cc(ccc1CC(=O)C(=O)O)O	ENO	3-(4-hydroxy-phenyl)pyruvic acid
+c1cn2cnc3c(c2n1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)OP(=O)(O)O	ENP	etheno-nadp
+c1c[n+]2cnc3c(c2[nH]1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)O	ENQ	[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(9h-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate
+CCn1c2ccc(cc2c3c1ccc(c3)OC(C)C)C(=O)NCc4ccc(cc4)S(=O)(=O)CC	ENR	9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide
+COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)C#N	ENS	methyl (2z)-3-[(3-chloro-1h-indol-7-yl)amino]-2-cyano-3-{[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate 
+CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@@H]1C(=O)NC)NS(=O)(=O)O	ENT	3(r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester
+CCn1c2ccc(cc2c3c1ccc(c3)OC4CCCCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC	ENU	6-cyclohexyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCCC(=O)CF)O	ENV	(2r)-n-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide
+CC(C)(CO)[C@@H](C(=O)NCCC(=O)NCCOC(=O)CF)O	ENW	2-({n-[(2s)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate
+CC/C=C/[C@H]([C@H]([C@@H](CC(=O)[C@H]([C@@H]([C@H](C)/C(=C/C=C/C=C(\C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N	ENX	enacyloxin iia
+COc1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O	ENY	(2z)-2-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid
+CC1[C@H](C(=O)N(N1)c2ccccn2)c3ccccc3	ENZ	(4~{r})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one
+CCn1c2ccccc2c3c1ccc(c3)C(=O)NCc4ccc(cc4)S(=O)(=O)CC	EO0	9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5c6ccccc6n(n5)C)C	EO1	7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-n-(1-methyl-1h-indazol-3-yl)-9h-pyrimido[4,5-b]indol-4-amine
+CC(=C)C[C@@H](C(=O)O)N	EO2	4,5-dehydro-l-leucine
+CCCCCCCCCCCCCCCCCCCCCC(=O)O	EO3	docosanoic acid
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5cc(nn5C)C6CC6)C	EO4	n-(3-cyclopropyl-1-methyl-1h-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9h-pyrimido[4,5-b]indol-4-amine
+Cc1ccn2c1C(=O)N(C(=N2)[C@H](C)Nc3c4c(c[nH]c4ncn3)c5cc(cc(c5)O)NS(=O)(=O)C)c6ccccc6	EO5	~{n}-[3-[4-[[(1~{s})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{h}-pyrrolo[ 2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C#N	EO6	(1r,2s)-2-[(n-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)Cl)N	EO7	2-chloro-5'-o-sulfamoyladenosine
+c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])C(=O)O)C(=O)O	EO8	4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid
+[B-]([C@@H](C)NC(=O)c1c(cccc1F)F)(O)(O)O	EO9	[(1s)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron
+c1ccc(cc1)CCNC=O	EOA	n-phenethyl-formamide
+c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O	EOB	{1,3-phenylenebis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	EOC	(2~{s})-4-methyl-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide
+CCCCC[C@H]1[C@H](O1)CCCCCCCCCCC(=O)O	EOD	11-[(2r,3s)-3-pentyloxiran-2-yl]undecanoic acid
+C1C[C@H](NC1)CC(=O)O	EOE	beta3-proline
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	EOF	(2~{s})-4-methyl-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl	EOG	1-(2-chlorophenyl)-n,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+CCO	EOH	ethanol
+C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S	EOI	[[(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-sulfanyl-phosphoryl] phosphono hydrogen phosphate
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7ccccc7Cl	EOJ	1-(2-chlorophenyl)-4-methyl-n-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+CC(=O)/N=C\1/NN([C@](S1)(C)c2ccccc2)C(=O)C	EOK	(~{n}~{z})-~{n}-[(5~{s})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide
+COc1cc(ccc1O)CC=C	EOL	2-methoxy-4-(prop-2-en-1-yl)phenol
+CCOC[O-]	EOM	ethyloxymethoxyl
+COc1ccccc1NC(=O)Nc2cc(ccc2O)S(=O)(=O)N	EON	1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
+COC(=O)N1CCCc2c1ccc(c2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O	EOO	(1~{s},6~{r})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{h}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
+C(CNC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O	EOP	{ethane-1,2-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
+c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl	EOQ	4-chloranyl-~{n}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide
+CC(C)(C)CNCCn1c2ccnc(c2nc1Sc3cc4c(cc3N(C)C)OCO4)N	EOR	2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4cc(ccc4Cl)OCC(C)C	EOS	1-[2-chloro-5-(2-methylpropoxy)phenyl]-n,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+c1cc(ccc1C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NCCO	EOT	[(1-[(bis-carboxymethyl-amino)-methyl]-2-{4-[3-(2-hydroxy-ethyl)-thioureido]-pheny}-ethyl)-carboxymethyl-amino]-acetic acid
+COC(=O)/C=C/C(=O)OC	EOU	dimethyl (~{e})-but-2-enedioate
+Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O	EOW	(6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
+CCO	EOX	ethyloxy group
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7cc(ccc7Cl)OCC(C)C	EOY	1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-n-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+c1c(cc(cc1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O	EOZ	3,5-bis[(phosphonoacetyl)amino]benzoic acid
+Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@H](O3)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C	EP	epothilone a
+CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)C[C@H](C(=O)OCC)O	EP0	n-[(3r)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-isoleucyl-l-proline
+C1CN(CCN1CCCS(=O)(=O)O)CCO	EP1	3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)NCC(=O)NCC(=O)OC)NC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)O	EP2	methyl n-[(2s)-4-{[(1s)-1-{[(2s)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-l-leucylglycylglycinate
+CN(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	EP4	5'-deoxy-5'-(dimethylamino)adenosine
+c1cc(ccc1C#N)N2CCN(CC2)C(=O)COc3ccc4c(c3)c(c[nH]4)CC[NH3+]	EP5	2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{h}-indol-3-yl]ethylazanium
+CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C4CC(C4)CCc5[nH]c6ccc(cc6n5)C(C)(C)C	EP6	5'-[{cis-3-[2-(5-tert-butyl-1h-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC	EP7	1-(2-chloro-5-methoxyphenyl)-4-methyl-n-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCc3c[nH]c4c3cccc4	EP8	5-[3-(1~{h}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)[C@@H](C=O)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	EP9	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s,3s)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]-l-leucinamide
+CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O	EPA	5,8,11,14,17-eicosapentaenoic acid
+Cc1nc(cs1)\C=C(/C)\[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)C	EPB	7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-methyl-2-(2-methyl-thiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@H](C)P(=O)(O)O)O	EPC	(1s)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]ethylphosphonic acid
+Cc1nc(cs1)/C=C(\C)/[C@@H]2C/C=C(\CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)/C	EPD	epothilone d
+C1CN(CCN1CCO)CCS(=O)(=O)O	EPE	4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
+C1[C@@H](O1)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	EPG	(2r)-oxiran-2-ylmethyl alpha-d-glucopyranoside
+CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN	EPH	l-alpha-phosphatidyl-beta-oleoyl-gamma-palmitoyl-phosphatidylethanolamine
+CCC1CCNCC1	EPI	4-ethylpiperidine
+c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl	EPJ	epibatidine
+CCN1C(=O)c2c(c(cs2)c3cccnc3)N=C1NC(C)C	EPK	3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3h)-one
+CCOP(=O)(OCC)Oc1ccc(cc1)OC	EPL	diethyl 4-methoxyphenyl phosphate
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O	EPM	n-palmitoyl-l-methionine
+c1cc(ccc1[N+](=O)[O-])OCCCO	EPN	3-(4-nitro-phenoxy)-propan-1-ol
+[C@@H]1(C(O1)C(=O)O)C(=O)O	EPO	(2r,3r)-oxirane-2,3-dicarboxylic acid
+CN(C)C(=O)CC[C@@H](C(=O)CF)N	EPQ	(4s)-4-amino-6-fluoro-n,n-dimethyl-5-oxohexanamide
+C/C(=C\c1ccccc1)/C=C2C(=O)N(C(=S)S2)CC(=O)O	EPR	{5-[(2e)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
+C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O	EPS	5-[(1-carboxyvinyl)oxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
+CCCCCCCc1ccc(cc1)O	EPT	heptanyl-p-phenol
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O	EPU	uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC(C)(C)C	EPV	1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-n-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+CC(C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)O)C(=O)O	EPW	cystargolide b- bound form
+c1cc(ccc1[N+](=O)[O-])OC[C@H](CO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	EPY	1-hydroxy-2-s-glutathionyl-3-para-nitrophenoxy-propane
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	EPZ	(2r)-2-{[(2r,3r,4r,5s,6r)-3-(acetylamino)-2-{[(s)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}propanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([N]4=C(N(C=C4)P(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)N)O)O)O)N=C(NC2=O)N	EQ1	[2-azanyl-3-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]phosphinic acid
+CC(=O)c1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2	EQ2	1-ethanoyl-9~{h}-pyrido[3,4-b]indole-3-carboxylic acid
+CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C	EQ3	(3'r)-3'-hydroxy-beta,beta-caroten-4-one
+c1cn(c(n1)N)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	EQ4	5'-o-[(r)-(2-amino-1h-imidazol-1-yl)(hydroxy)phosphoryl]guanosine
+c1ccc2c(c1)ccn2CCC(=O)O	EQ5	3-indol-1-ylpropanoic acid
+CC(C)CC(=O)C1=C(Nc2c(ccc(c2C1=O)N(=O)=O)Cl)Nc3ccc(cc3Cl)Cl	EQ7	8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1h)-one
+c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)S(=O)(=O)C4CCCCC4)[NH+]=O)C(F)(F)F	EQ8	[2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium
+Cc1nc(no1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccnc(c4)N	EQ9	1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
+c1ccc(c(c1)C(=O)C=C(C(=O)O)O)F	EQA	(2z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid
+CC[C@H](C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)O)C(=O)O	EQB	(2~{s},3~{s})-3-methyl-2-[(1~{r})-2-[[(2~{s})-3-methyl-1-[[(2~{s})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid
+COc1ccc(cc1OC)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O	EQC	arctigenin
+c1ccc(cc1)Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)Cl	EQD	5-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol
+CC(C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)O)C(=O)O	EQE	(2~{s},3~{r})-4-[[(2~{s})-3-methyl-1-[[(2~{s})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid
+C[C@@H]1[C@@H](C(=O)N(C1=O)Nc2ccc(c(n2)Cl)C(F)(F)F)C	EQF	(3~{r},4~{s})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione
+[H]/N=C(/N)\NOCC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc2ccccc2)O)NC(=O)OCc3ccccc3	EQG	benzyl [(6s,7s,10s,13s,18z)-18-amino-10-cyclohexyl-6-hydroxy-18-imino-7-(2-methylpropyl)-4,9,12-trioxo-1-phenyl-16-oxa-3,8,11,17-tetraazaoctadecan-13-yl]carbamate
+c1csc(c1C2CC2)c3cnc(c(n3)C4CCC(CC4)C(=O)O)N	EQH	cis-4-[3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid
+C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CCC2=O)O	EQI	equilin
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	EQJ	(e)-n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-arginine
+c1cc(c2c(ccc3c2c1C(=O)NC3=O)C(=O)O)C(=O)O	EQL	1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid
+CC(C)(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc2ccccc2)O	EQM	methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[(4r)-5-[[(2s)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)(C)C)C	EQN	4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid
+CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3)C(=O)O)C#Cc4ccccc4)C	EQO	4-{(e)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid
+CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O	EQP	(1r)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-d-glycero-d-galacto-octitol
+c1c(c(cc2c1nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C#N)C#N	EQQ	ruthenium (bis-(tetraazaphenanthrene)) (11,12-dicyano-dipyridophenazine)
+c1ccc2c(c1)N(C3=NC(=O)C(=NN23)CCC(=O)O)CC(=O)O	EQR	3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C#N	EQS	(1s,2s)-2-[(n-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1cc2c(c(c1)Cl)c(n[nH]2)N	EQT	4-chloranyl-1~{h}-indazol-3-amine
+C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O	EQU	equilenin
+C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	EQV	loganic acid
+c1c(cnc(n1)NC2CCOCC2)Cl	EQW	5-chloranyl-~{n}-(oxan-4-yl)pyrimidin-2-amine
+Cc1nc2c3ccccc3nc(n2n1)NNC(=O)CCC(=O)O	EQX	4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid
+COC(=O)c1c(nc2ncnn2c1c3cc(cc(c3)F)F)c4cccnc4	EQY	methyl 7-(3,5-difluorophenyl)-5-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
+COCCN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl	EQZ	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{h}-isoindol-1-one
+C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCCC(=O)OC[C@H]([C@H](CO)O)O	ER0	[(2~{r},3~{s})-2,3,4-tris(oxidanyl)butyl] (5~{r},9~{r},13~{r})-5,9,13,17-tetramethyloctadecanoate
+S1[Fe]2[S]3[Fe][S]4[Fe]1[S]2[Fe]34	ER2	fe4s4
+[Er+3]	ER3	erbium (iii) ion
+COCCCOc1ccc(c(n1)Cc2ccccc2)C#C[C@]3(CN4CCC3CC4)O	ER4	(3r)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol
+c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCCCCCC3)F)C(=O)O	ER5	4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid
+c1ccc2c(c1)nc(c3n2ccc3)N4CCC[C@H](C4)C(=O)O	ER6	(3r)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid
+Cc1c(c(n2c(n1)ncn2)c3cccc(c3)F)C(=O)C	ER7	1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
+CC(C)(C)NC(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl	ER8	~{n}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]ethanamide
+c1cc(cc(c1)NC(=O)c2[nH]c(nn2)n3cnnc3)C(=O)O	ER9	3-[[5-(1,2,4-triazol-4-yl)-4h-1,2,4-triazol-3-yl]carbonylamino]benzoic acid
+CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCCCC/C=C\CCCCCC/C=C/C=C/CCCCC)O	ERA	(7z,15e,17e)-n-[(2s,3s,4e)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide
+CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C	ERB	erythromycin b
+COc1cc(ccc1OCCCS)CCNC[C@@H](c2ccc(c3c2C=CC(=O)N3)O)O	ERC	8-hydroxy-5-[(1r)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1h)-one
+c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O	ERD	(2s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4h-chromen-4-one
+C[C@H]1[C@@H]([C@@](C[C@@H](O1)O)(C)N)O	ERE	4-epi-vancosamine
+B(Cn1cc(nn1)c2ccsc2)(O)OP(=O)(O)O	ERF	phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid
+CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C	ERG	ergosterol
+Cc1cc(cc(c1)O)C	ERH	3,4-dimethylphenol
+C[C@H]1[C@@H]([C@@](C[C@@H](O1)O)(C)O)OC(=O)C	ERI	3-c-methyl-4-o-acetyl-alpha-l-olivopyranose
+c1cscc1c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O	ERJ	9-beta-d-ribofuranosyl-6-(thiophen-3-yl)-9h-purine
+C[C@H](c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	ERK	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{r})-1-phenylethyl]ethanamide
+C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C	ERM	ergotamine
+CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)N)C)O)(C)O	ERN	(3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-10-amino-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-py ran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]oxy }-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one
+C=CC1=C(NC(=O)NC1=O)C(=O)O	ERO	5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc(cc1)c2ccc(cc2)C#Cc3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O	ERP	6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-d-ribofuranosyl-9h-purine
+Cn1ccc2c1ccc(c2)c3cc4nccc(n4n3)c5cc(c(c(c5)OC)OC)OC	ERR	2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
+c1ccc(cc1)N2CCN(CC2)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O	ERS	(2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9h-purin-9-yl]tetrahydrofuran-3,4-diol
+CC[C@]1(C[C@@H](c2c(c(c3c(c2O)C(=O)c4c(cccc4OC)C3=O)O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O	ERT	methyl (4r)-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-beta-d-ribo-hexopyranosyl]oxy}-1h,2h,3h,4h,6h,11h-tetracene-1-carboxylate
+CCCCCCCC\C=C/CCCCCCCCCCCC(=O)N	ERU	(13z)-docos-13-enamide
+CC(C)(C)N(C)C(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl	ERW	~{n}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-methyl-ethanamide
+Cc1ccc(cc1)c2cc3nccc(n3n2)c4cc(c(c(c4)OC)OC)OC	ERX	2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
+CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O	ERY	erythromycin a
+Cc1cnc(nc1)Nc2cnn(c2C)C	ERZ	~{n}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine
+c1cc2c(c(c1)O)[nH]c(n2)N	ES0	2-amino-1h-benzimidazol-7-ol
+c1ccc2c(c1)c(ccn2)O	ES1	quinolin-4-ol
+c1cc2c(cc1Cl)NC(=O)C2	ES2	6-chloro-1,3-dihydro-2h-indol-2-one
+c1c(nc[nH]1)Br	ES3	4-bromo-1h-imidazole
+c1[nH]c2c(n1)c(ncn2)Cl	ES4	6-chloro-9h-purine
+c1cc2cc(ccc2nc1)N	ES5	quinolin-6-amine
+C1=CNC(=O)C(=C1)C(=O)O	ES6	2-oxo-1,2-dihydropyridine-3-carboxylic acid
+Cn1c2ccccc2nc1N	ES7	1-methyl-1h-benzimidazol-2-amine
+c1ccc2c(c1)-c3ccccc3C2=NOCC(=O)O	ES8	[(9h-fluoren-9-ylideneamino)oxy]acetic acid
+c1cc2c(cc1Cl)nc[nH]2	ES9	5-chloro-1h-benzimidazole
+CCS(=O)(=O)O	ESA	ethanesulfonic acid
+CC/N=C/1\C=C(C(=O)C=C1O)C[C@@H](C(=O)O)N	ESB	3-[(3e)-3-(ethylimino)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine
+CCSCC[C@@H](C(=O)O)N	ESC	2-amino-4-ethyl sulfanyl butyric acid
+C(CSCC(=O)O)N	ESD	(2-amino-ethylsulfanyl)-acetic acid
+C[C@]12CC[C@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3)O	ESE	(1s,3ar,5r,7as)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol
+C[C@@H](C(=O)NC1c2ccccc2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O	ESF	(2s)-2-hydroxy-3-methyl-n-[(2s)-1-[[(5s)-3-methyl-4-oxo-2,5-dihydro-1h-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide
+CCN1C(=O)C[C@@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N	ESG	l-gamma-glutamyl-s-[(3s)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-l-cysteinylglycine
+[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)Cl)C(C)C)/N	ESH	4- [(1r,3as,4r,8as,8br)- 2- (4-chlorobenzyl)- 1- isopropyl- 3- oxodecahydropyrrolo[3,4- a]pyrrolizin- 4- yl]benzenecarboximidamide
+c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I	ESI	4-iodobenzo[b]thiophene-2-carboxamidine
+c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)O	ESJ	(4s)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+c1ccc(cc1)[C@@H](CO)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	ESK	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-2-oxidanyl-1-phenyl-ethyl]ethanamide
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O	ESL	estriol
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)OC	ESM	1,3,5(10)-estratrien-2,3,17-beta-triol 2-methyl ether
+Cc1cccc(c1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	ESN	(2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OP(=O)(O)O	ESO	o3-phosphonoestrone
+c1cc2cc(sc2nc1)C(=[NH2+])N	ESP	thieno[2,3-b]pyridine-2-carboxamidine
+c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)N(C2)CCN5CCOCC5	ESQ	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{h}-isoindol-1-one
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@H]3CCC(=O)C4	ESR	5-alpha-estran-3,17-dione
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)S(=O)(=O)C	ESS	(1r,2s)-2-[(n-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O	EST	estradiol
+CC(C)(c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	ESW	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-(2-phenylpropan-2-yl)ethanamide
+c1ccc2c(c1)cc(s2)C(=[NH2+])N	ESX	benzo[b]thiophene-2-carboxamidine
+CC[C@H](C)[C@H](C=O)[C@H](C(=O)NCCCC[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)O	ESY	benzyl n-[(benzyloxy)carbonyl]-l-alanyl-n~6~-[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]-l-lysinate
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)Br)O	ESZ	(14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol
+CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N	ET	ethidium
+COc1ccc2c(c1)c(c[nH]2)CCC(=O)O	ET0	3-(5-methoxy-1h-indol-3-yl)propanoic acid
+COc1ccc(cc1)S(=O)(=O)n2cc(c3c2ccc(c3)OC)CCC(=O)O	ET1	3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1h-indol-3-yl}propanoic acid
+c1cc2c(cc1F)[nH]c(n2)N	ET2	6-fluoro-1h-benzimidazol-2-amine
+CCc1c(cc(c(c1CC(=O)N(CCOC)CCOC)C(=O)c2ccc(c(c2)OC)OCCN3CCOCC3)O)O	ET3	2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{n},~{n}-bis(2-methoxyethyl)ethanamide
+c1c(ocn1)C2=C[C@H](N(C[C@@H]2NOS(=O)(=O)O)C(=O)O)CN	ET5	(3~{r},6~{s})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{h}-pyridine-1-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)S(=O)(=O)C	ET6	(1s,2s)-1-hydroxy-2-{[n-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1ccc(cc1)c2c3cc(ccc3[nH]n2)c4ccncc4	ET8	3-phenyl-5-(pyridin-4-yl)-1h-indazole
+C=C1[C@H](C[C@@H]([C@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)n2cnc3c2NC(=NC3=O)N	ET9	[[(1r,3s,5s)-3-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory l] phosphono hydrogen phosphate
+C(CO)N	ETA	ethanolamine
+CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NC)O	ETB	ethyl coenzyme a
+CC[C@@H]1Cc2cc(ccc2C3=C1c4ccc(cc4C[C@H]3CC)O)O	ETC	(r,r)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
+C#C	ETD	ethenylene group
+COCCOCCOCCOCCO	ETE	2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol
+C(C(F)(F)F)O	ETF	trifluoroethanol
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCOCCOCCNC(=O)C34CC5CC(C3)CC(C5)C4	ETG	(3s,5s,7s)-n-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+C[CH2]	ETH	ethyl group
+CCI	ETI	iodoethane
+c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCC3)F)C(=O)O	ETK	4-[2-[3-(cyclooctylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid
+C[N+](C)(C)CCS	ETM	2-(trimethylammonium)ethyl thiol
+CCNC	ETN	methylethylamine
+CCOC=O	ETO	ethoxycarbonyl group
+B(c1cccc(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)(O)O	ETP	3-(4-benzenesulfonyl-thiophene-2-sulfonylamino)-phenylboronic acid
+CCc1cc(c(c(c1O)C(=O)NC[C@@H]2CCC[N@]2CC)OC)Cl	ETQ	3-chloro-5-ethyl-n-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide
+CCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C	ETR	n-ethyl retinamide
+CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C	ETS	(4s-trans)-4-(ethylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide
+Cc1ccc(cc1)/C=C/CC2=C(O[C@H]([C@@H]([C@H]2O)NC(=O)C)C([C@@H](CO)O)O)C(=O)O	ETT	5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2e)-3-(4-methylphenyl)prop-2-en-1-yl]-d-glycero-d-galacto-non-2-enonic acid
+C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)Cl)C	ETU	(3r)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone
+C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F	ETV	4-amino-5-fluoro-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1h)-one
+Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O	ETW	5-[(4-methylphenyl)methylcarbamoyl]-2-(6-oxidanyl-3-oxidanylidene-4~{h}-xanthen-9-yl)benzoic acid
+CCOCCO	ETX	2-ethoxyethanol
+CCc1ccc(cc1)O	ETY	4-ethylphenol
+CCOCC	ETZ	diethyl ether
+[Eu+2]	EU	europium ion
+C[C@@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C	EU1	(2r)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)NC2	EU2	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one
+[Eu+3]	EU3	europium (iii) ion
+CC(C)n1c2c(c(n1)C#Cc3cccc4c3cnc(c4)c5cccc(c5)C(F)(F)F)c(ncn2)N	EU4	1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	EU5	(2~{s})-~{n}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{s})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide
+C[C@@H](C12CC3CC(C1)CC(C3)C2)N	EU7	(1s)-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine
+c1ccc(c(c1)C[S+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N(=O)=O	EU9	[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3r)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-[(2-nitrophenyl)methyl]sulfanium
+c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N	EUB	4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile
+CC1CCC[C@]2([C@H]1C[C@H](CC2)C(=C)C)C	EUD	eudesmane cation
+CS(=O)(=O)c1ccc2c(c1)sc(n2)N	EUE	6-methylsulfonyl-1,3-benzothiazol-2-amine
+CCSSc1nc2ccccc2s1	EUF	2-(ethyldisulfanyl)-1,3-benzothiazole
+C/C=C/c1ccc(c(c1)OC)O	EUG	2-methoxy-4-[(1e)-prop-1-en-1-yl]phenol
+c1cc2c(cc1SC(F)(F)F)sc(n2)N	EUH	6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O	EUI	[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-[3-oxidanyl-3-[(2s)-piperidin-2-yl]azetidin-1-yl]methanone
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC	EUJ	(2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate
+c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl	EUK	6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine
+c1ccc(c(c1)C(=O)Nc2c3c4c(sc3ncn2)CCCC4)Br	EUL	2-bromanyl-n-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide
+Cc1c(ccc2c1C(=O)NC(=N2)C)c3ccnc4c3cccc4	EUN	2,5-dimethyl-6-quinolin-4-yl-3~{h}-quinazolin-4-one
+CNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)cc[nH]3	EUO	6-(1h-indol-5-yl)-n-methyl-2-methylsulfonyl-pyrimidin-4-amine
+C([C@@H]([C@@H](C(=O)O)N)O)N	EUP	4-amino-l-allothreonine
+CCC(=O)NCCn1cc(nn1)CNCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl	EUQ	2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{n}-methyl-benzamide
+c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)CO)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl	EUR	4-chloranyl-n-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1h-imidazole-5-carboxamide
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)NS(=O)(=O)C)O	EUS	n-[(1r,2s,3s,4r,5s)-5-amino-4-{[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]methanesulfonamide
+c1c(cc(cc1F)F)N2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F	EUT	(8s)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6h-pyrimido[1,2-a]pyrimidin-4-one
+CCCNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)ccn3CCCN(C)C	EUU	6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-n-propyl-pyrimidin-4-amine
+CCC(=O)NCCNC1=C(C(=O)C1=O)NCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl	EUW	2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{n}-methyl-benzamide
+CC(C)n1c2cc(cc(c2c3c1cc(nc3)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6)OCC(F)(F)F)N7CCN(CC7)C	EUX	n-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine
+C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2)n3nccn3)(C(=O)NO)S(=O)(=O)C	EUY	(2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[4-(2h-1,2,3-triazol-2-yl)phenyl]pyridin-1(2h)-yl}butanamide
+CCCC1=CC(=O)NC(=N1)N	EV0	2-amino-6-propylpyrimidin-4(3h)-one
+COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC	EV1	1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline
+c1ccc2c(c1)nc(c(n2)N3CCCC3)N	EV2	3-pyrrolidin-1-ylquinoxalin-2-amine
+c1cc2c(cc1Cl)nc(n2CCCO)N	EV3	3-(2-amino-5-chloro-1h-benzimidazol-1-yl)propan-1-ol
+CN(C1CCCCC1)C(=O)CCCn2c3ccc(cc3nc2N)Cl	EV4	4-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-cyclohexyl-n-methylbutanamide
+CC[C@@H](CC(=O)NCC1CCCCC1)n2c3ccc(cc3nc2N)Cl	EV5	(3s)-3-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-(cyclohexylmethyl)pentanamide
+CC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n4c5ccc(cc5nc4N)Cl	EV6	(3s)-3-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]pentanamide
+c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4	EV7	2-[(naphthalen-2-yl)oxy]-5-(1h-pyrazol-4-yl)benzoic acid
+COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)sc(n4)N	EV8	methyl 1-[4-[[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]methyl]phenyl]carbonylpiperidine-4-carboxylate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COC(=O)[C@H](CCCCN)N)O)OC(=O)CCCCCCCCCCCCCCC	EV9	[(2~{r})-3-[[(2~{s})-3-[(2~{s})-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate
+[C@@H]1([C@@H]([C@H](NC(=O)[C@@H]1O)C(=O)O)O)O	EVA	(2s,3r,4s,5r)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	EVB	sulfonato-calix[8]arene
+CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OCCN4CCOCC4)N5CCN(CC5)C	EVC	n-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide
+c1ccc2c(c1)cc(o2)S(=O)(=O)N	EVD	1-benzofuran-2-sulfonamide
+c1ccc2c(c1)[nH]c(n2)S(=O)(=O)N	EVE	1h-benzimidazole-2-sulfonamide
+c1ccc2c(c1)nc(s2)S(=O)(=O)N	EVF	1,3-benzothiazole-2-sulfonamide
+c1cc(oc1)S(=O)(=O)N	EVG	furan-2-sulfonamide
+c1cnc([nH]1)S(=O)(=O)N	EVH	1h-imidazole-2-sulfonamide
+c1csc(n1)S(=O)(=O)N	EVI	1,3-thiazole-2-sulfonamide
+c1cc(sc1)S(=O)(=O)N	EVJ	thiophene-2-sulfonamide
+CC(C)Nc1cc(c(cn1)Cl)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl	EVK	4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{n}-[(1~{s})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{h}-pyrrole-2-carboxamide
+CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OC)N4CCC(CC4)N5CCN(CC5)C	EVL	n-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C-](CO)C(=O)O)O	EVM	l-serine, n-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]
+Cc1cc(cc(c1C(=O)O[C@@H]2CO[C@]3([C@H]4[C@H]2OCO4)O[C@H]5CO[C@H]([C@@H]([C@@H]5O3)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)COC)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)OC)O[C@H]8[C@H]([C@@]9([C@@H]([C@H](O8)C)O[C@@]1(O9)C[C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)O[C@@H]1C[C@]([C@H]([C@@H](O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)OC)O)O	EVN	(2r,3r,4r,6s)-6-{[(2r,3ar,4r,4'r,5's,6s,6'r,7s,7ar)-6-{[(2s,3r,4r,5s,6r)-2-{[(2r,3s,4s,5s,6s)-6-({(2r,3as,3a'r,6s,7r,7' r,7as,7a's)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4h-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}ox y)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2h-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2h-pyran-4- yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4h-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2r,4s,5r, 6s)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2h-pyran-2-yl]oxy}-2-methyltetrahydro-2h-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name)
+c1ccc2c(c1)/C(=C\c3cccnc3)/C(=O)N2	EVO	(3e)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2h-indol-2-one
+C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7)OC)O)OC)OCO5)O)O	EVP	(5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-o-[(1r)-ethylidene]-beta-d-glucopyranoside
+C[C@H](c1cccc(c1)OC)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	EVQ	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{r})-1-(3-methoxyphenyl)ethyl]ethanamide
+CCNS(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(c(c3)OC)N4CCC(CC4)N5CCN(CC5)C)CCc6cc(cc(c6)OC)OC	EVR	2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-n-ethyl-benzenesulfonamide
+C\C=C/1\C[N@@]2[C@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@@H]1[C@@H]3C=O	EVS	16-epi-vellosimine
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O	EVT	(2~{s})-2-[[(4~{s})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
+c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3	EVU	4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one
+CCCCC[C@H]([C@@H](CC)N(C=O)O)C(=O)NCNC(=O)c1ccc(o1)c2ccc(c(c2)OCC)C(=O)N[C@@H](CC(=O)O)C(=O)O	EVV	n-(2-ethoxy-4-{5-[({[(2r)-2-{(1r)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-l-aspartic acid
+c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N	EVW	2-azanyl-~{n}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide
+CCCCCCCC[C@H](CCCCCC)C(=O)N[C@H]1CCOC1=O	EVY	(2s)-2-hexyl-n-[(3s)-2-oxooxolan-3-yl]decanamide
+COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N	EVZ	methyl 1-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate
+Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC	EW0	7-chloranyl-4-[(3-methoxyphenyl)amino]-n-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide
+Cc1cc2c(c(n1)N)ncn2C3CN(C3)C(=O)c4ccn(c4)CC5CCN(CC5)[C@@H]6CCCCC=C6	EW1	[3-(4-amino-6-methyl-1h-imidazo[4,5-c]pyridin-1-yl)azetidin-1-yl][1-({1-[(1r)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl )-1h-pyrrol-3-yl]methanone
+c1ccc(cc1)n2cc(c(n2)c3c4ccccc4[nH]c3Cl)Cn5ccnc5	EW2	2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{h}-indole
+C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	EW3	[(2~{r},3~{r},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+Cc1cc2c(c(n1)N)ncn2C3(CN(C3)C(=O)c4ccn(c4)CC5CCN(CC5)[C@@H]6CCCCC=C6)C	EW4	[3-(4-amino-6-methyl-1h-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1r)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1h-pyrrol-3-yl]methanone
+c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4	EW5	1-phenyl-3-pyridin-4-yl-~{n}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
+C[C@](CO)(C(=O)O)N	EW6	alpha-methyl-l-serine
+CCCCCCCCCCCCCCCCCCC(=O)O	EW8	nonadecanoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)OC(C)(C)C	EW9	(1s,2s)-2-{[n-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+B([C@@H](C)NC(=O)c1c(cccc1OC)OC)(O)O	EWA	[(1s)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid
+[B-]([C@@H](C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O	EWB	[(1s)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)
+C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]23C(=O)N=C(N3)N)COP(=O)(O)O)O	EWC	[(2~{r},3~{s},5~{r})-5-[(5~{s})-7-azanyl-2,4,9-tris(oxidanylidene)-1,3,6,8-tetrazaspiro[4.4]non-7-en-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc(cc1)Oc2ccc(cc2C(=O)O)c3c[nH]nc3	EWD	2-phenoxy-5-(1h-pyrazol-4-yl)benzoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)[NH3+])O	EWE	[(2~{s})-3-(1~{h}-indol-3-yl)-1-[(2~{e})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium
+c1cc(cc(c1)C(=O)O)c2c[nH]nc2	EWG	3-(1h-pyrazol-4-yl)benzoic acid
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4NC(=O)C=C)Cl	EWH	~{n}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
+c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4F	EWJ	5-(3-fluoro-1h-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid
+c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N	EWK	4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{n}-(phenylmethyl)benzamide
+CCCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N	EWL	6-azanyl-2-butoxy-9-(phenylmethyl)-7h-purin-8-one
+CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O	EWM	n-[(3s)-2-oxooxolan-3-yl]dodecanamide
+CC(C)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F	EWN	6-[[(3~{s})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{h}-1,4-benzoxazin-3-one
+c1cc(ccc1[C@@H]2c3c([nH]cn3)CCN2)F	EWO	(4r)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine
+CC1=CC(=O)N(c2c1cc(cc2OC)OC)C	EWQ	6,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one
+CCO[C@@H](Cc1ccc(cc1)OCCn2c(ccc2c3ccc(cc3)SC)C)C(=O)O	EWR	(2s)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid
+c1cc(ccc1C[C@@H]2C[C@H](CC[NH2+]2)NC(=O)c3c[nH]c4c3cc(cc4)Br)Cl	EWS	(2r,4s)-4-[(5-bromo-1h-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium
+c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl	EWT	2-azanyl-~{n}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide
+COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N	EWU	6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7h-purin-8-one
+COc1cc2c(cc1OC)-c3cc4ccc5c(c4c[n+]3CC2)OCO5	EWV	epiberberine
+CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N	EWW	2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3cccnc3)N	EWX	6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7h-purin-8-one
+CC1=CC(=O)NC(=N1)SCC(=O)c2cccc(c2)S(=O)(=O)N	EWY	3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl	EWZ	5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
+CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5C[C@@H]6C[C@H]5CN6C)N	EX0	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine
+CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C	EX1	2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5C[C@@H]6C[C@H]5CN6C)C	EX3	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine
+C[C@@H]1CC(=O)Nc2c1c(ncn2)N3CCC(CC3)c4nc(cn4CCN5CCCC5)c6ccc(c(c6)C(F)(F)F)F	EX4	(5r)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1h-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6h)-one
+CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)C[C@H]5[C@@H]2O5)c6cc(c(cc6N3)OC)OC(=O)C)C(=O)OC	EX5	jerantinine b
+c1cc(cc(c1)Cl)CCc2[nH]c3c(n2)cccc3O	EX7	2-[2-(3-chlorophenyl)ethyl]-1h-benzimidazol-7-ol
+C1[C@@H]([C@@H]([C@H](N1)C=O)F)O	EX8	(2~{r},3~{r},4~{s})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde
+Cc1c(c(c(cn1)COP(=O)(O)O)[C@H](NCCCC[C@@H](C(=O)O)N)NC(=C)C(=O)O)O	EXA	n~6~-[(r)-[(1-carboxyethenyl)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-l-lysine
+c1ccc2c(c1)ncn2CCC(=O)O	EXB	3-(1h-benzimidazol-1-yl)propanoic acid
+CC1(c2cc3c(cc2C(N1[O])(C)C)OC4=CN(C(=O)N=C4N3)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C	EXC	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5' :5,6][1,4]oxazino[2,3-f]isoindol-2(3h)-one radical
+c1cc2c(c(c1)O)[nH]c(n2)C(F)(F)F	EXD	2-(trifluoromethyl)-1h-benzimidazol-7-ol
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F	EXE	(2~{r},3~{s},4~{s})-1-[(2~{s})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2c(cn3c(n2)ccn3)F	EXF	n-[(2r)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
+c1ccc(cc1)Cn2cnc3c2cccn3	EXG	1-benzyl-1h-imidazo[4,5-b]pyridine
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F	EXH	(2~{r},3~{r},4~{s})-1-[(2~{s})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC	EXI	n1-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-n1,n2-dimethylethane-1,2-diamine
+CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)Cl	EXJ	(3r)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile
+Cn1cc(c2c1cccc2)C[C@@H](C(=O)O)N	EXL	1-methyl-l-tryptophan
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C	EXM	(8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione
+CCn1c2ccc(cc2c3c1cc(cc3)c4ccco4)C[NH2+]C	EXN	[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium
+C=C1C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O	EXO	(1r,2s,3s,4r)-5-methylenecyclohexane-1,2,3,4-tetraol
+CC1=Nc2nc(nn2C(=O)C1)NCc3cccc(c3)Br	EXP	2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6h)-one
+CCn1c2ccc(cc2c3c1cc(cc3)c4cc(cs4)C)C[NH2+]C	EXQ	[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium
+c1ccc2c(c1)c(cs2)C[C@H](C(=O)O)N	EXR	(2r)-2-azanyl-3-(1-benzothiophen-3-yl)propanoic acid
+CC(C)(CO)[C@H](C(=O)NCCc1[nH]c2c(n1)cccc2O)O	EXS	(2r)-2,4-dihydroxy-n-[2-(7-hydroxy-1h-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCOP(=O)(O)O)O	EXT	{5-hydroxy-6-methyl-4-[(e)-{[2-(phosphonooxy)ethyl]imino}methyl]pyridin-3-yl}methyl dihydrogen phosphate
+CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C	EXU	1,3,7-trimethyl-9h-purine-2,6,8-trione
+c1cc(cc(c1)C(=O)O)[C@H]2CCC[C@@H]2c3[nH]c4c(n3)cccc4O	EXV	3-[(1s,2s)-2-(7-hydroxy-1h-benzimidazol-2-yl)cyclopentyl]benzoic acid
+CC1=CCCC(=C(C[C@]2(CC[C@H]([C@H]2CC1)C(=C)C)C)F)C	EXW	2-fluoro-3,7,18-dolabellatriene
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)c(c(c(c2Br)Br)Br)Br	EXX	4,5,6,7-tetrabromo-1-(2-deoxy-beta-d-erythro-pentofuranosyl)-1h-benzimidazole
+C1[C@H](O1)CCCC[C@@H](C(=O)O)N	EXY	6-[(2r)-oxiran-2-yl]-l-norleucine
+Cc1c(c(n[nH]1)C(F)(F)F)Cc2c(c3c(s2)N(C(=O)N(C3=O)C)C(C)C)C(=O)N4C[C@@](CO4)(C)O	EY0	3-methyl-5-[[(4~{r})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{h}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione
+c1cc(ccc1C23CC4CC(C2)CC(C4)C3)NC(=O)CSc5[nH]cnn5	EY1	2-[(4h-1,2,4-triazol-3-yl)sulfanyl]-n-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide
+CCn1c2ccc(cc2c3c1cc(cc3)Br)C[NH2+]C	EY2	(7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium
+CC(C)Oc1ccc2c(c1)cc[nH]2	EY3	5-propan-2-yloxy-1h-indole
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C	EY4	(3a,5a)-3-hydroxypregnane-11,20-dione
+CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C	EY5	erythromycin d
+c1cc2c(cc[nH]2)cc1OCCF	EY6	5-(2-fluoranylethoxy)-1h-indole
+COc1c(nc2ccccc2n1)CCC(=O)O	EY7	3-(3-methoxyquinoxalin-2-yl)propanoic acid
+c1cc2c(cc1C(=O)N3c4ccc(cc4OC[C@@H]3CS(=O)(=O)N)F)NC(=O)CO2	EY8	[(3~{r})-7-fluoranyl-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]methanesulfonamide
+COCCOc1ccc2c(c1)cc[nH]2	EY9	5-(2-methoxyethoxy)-1h-indole
+CN1C(=Nc2ccccc2C1=O)CCC(=O)O	EYA	3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
+CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C	EYB	[9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium
+c1cc(c(cc1NC(=O)CCl)S(=O)(=O)O)C#Cc2ccc(cc2S(=O)(=O)O)NC(=O)CCl	EYC	2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid}
+CCn1c2ccc(cc2c3c1cc(cc3)c4ccc(s4)C)C[NH2+]C	EYE	[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium
+COc1cccc(c1)Cn2ccc3c2ncc(c3)C(=O)NO	EYF	1-[(3-methoxyphenyl)methyl]-~{n}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide
+CSCCC([C@]1(N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)O)N	EYG	{(2r,4z)-2-[(1r)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazolidin-1-yl}acetic acid
+Cc1ccc(cc1N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5C)Cl)Cl	EYH	(4~{s})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one
+c1ccc2c(c1)nc(s2)CCC(=O)O	EYJ	3-(1,3-benzothiazol-2-yl)propanoic acid
+CC(C)(C)c1cc(ccc1O)O	EYK	2-tert-butylbenzene-1,4-diol
+c1ccc(cc1)Cn2ccc3c2nccc3C(=O)NO	EYL	~{n}-oxidanyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-4-carboxamide
+CN1c2ccccc2N=C(C1=O)CCC(=O)O	EYM	3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid
+CC(C)Cc1cc2c(cc1F)OC[C@@H](N2C(=O)c3ccc4c(c3)NC(=O)CO4)CC(=O)NC	EYN	2-[(3~{s})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{n}-methyl-ethanamide
+C1COCCOCCOCCOCCO1	EYO	1,4,7,10,13-pentaoxacyclopentadecane
+c1c2c(cc3c1nc(s3)CCC(=O)O)sc(n2)CCC(=O)O	EYP	3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid
+Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)[C@@H](C)N4CCN(CC4)C)NC(=O)C5CC5	EYQ	~{n}-[5-methyl-4-[7-[[(2~{r})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{h}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide
+CC[C@@H](C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	EYR	(6~{e},10~{e},14~{e},18~{e},22~{e},26~{e},30~{r})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene
+C([C@@H](C=O)[NH3+])S[SeH]	EYS	s-selanylcysteinal
+c1ccc2c(c1)nc(s2)CC(=O)O	EYV	(1,3-benzothiazol-2-yl)acetic acid
+C1CNC[C@@H]1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	EYW	5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-[(3~{r})-pyrrolidin-3-yl]pentanamide
+c1ccc2c(c1)ccc(n2)CCC(=O)O	EYY	3-(quinolin-2-yl)propanoic acid
+c1ccc(cc1)S[C@H](CC(=O)NCCCC[C@@H](C(=O)O)N)C(=O)O	EYZ	(2~{s})-2-azanyl-6-[[(3~{r})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid
+C=CC[Se]c1ccc(cc1)S(=O)(=O)N	EZ1	4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
+C[C@H](c1ccc(cc1)n2ccnc2)NC(=O)CCC3=NC(=O)c4ccccc4N3	EZ2	~{n}-[(1~{r})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{h}-quinazolin-2-yl)propanamide
+C[C@H]1CCC[C@@H](O1)[C@H]([C@H]2Cc3cc(cc(c3C(=O)O2)O)O)O	EZ3	(3r)-3-[(r)-[(2r,6s)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+C([C@H]([C@H]([C@@H](C(=O)N=O)O)O)O)O	EZ4	(2s,3r,4r)-2,3,4,5-tetrahydroxy-n-oxo-pentanamide
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)O)O)[C@H](C)CNC(=O)C)O)C)COC	EZ5	~{n}-[(2~{s})-2-[(1~{e},3~{r},4~{s},8~{r},9~{r},10~{r},11~{s},14~{s})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide
+CNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)C5(CC5)C(=O)O)n6ccc(n6)C(F)(F)F)F	EZ6	1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9h-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid
+CC(=O)Nc1ccc2c(c1)nc(o2)c3ccnc(c3)C(=O)N4CCN(CC4)[C@H](c5ccccc5)c6nnn(n6)C	EZ7	n-[2-(2-{4-[(r)-(2-methyl-2h-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide
+c1cc(ccc1CNC(=O)[C@H]2C[C@@H]([C@H](C[C@@H]2C(=O)NCc3ccc(cc3)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)n5cc(nn5)C[NH3+])OCCCl)CO	EZ8	[1-[(2~{s},3~{s},4~{r},5~{s},6~{r})-2-[(1~{s},2~{s},4~{s},5~{s})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium
+CCNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)OCC(C)(C)C(=O)O)n5ccc(n5)C(F)(F)F)F	EZ9	3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9h-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid
+CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)C(NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C	EZA	n-[(6as,12s,15as,17r,21r,23as)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2h,6h,11h,15h-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-nalpha-[(2e)-hept-2-enoyl]-l-phenylalaninamide
+Cc1c(ccc2c1C(=O)NC=N2)c3cccc4c3cccn4	EZB	5-methyl-6-quinolin-5-yl-3~{h}-quinazolin-4-one
+CCCC[C@@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3	EZC	2-[[(2~{r})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{h}-inden-5-yl]oxy]ethanoic acid
+c1cc(c(cc1O)O)/C=C/c2cc(cc(c2)O)O	EZE	trans-oxyresveratrol
+Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)Cc4ccc(cc4Cl)C(=O)OC)O)c5ccc(cc5)CN	EZF	methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)N)O)[N+](=O)[O-]	EZG	n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-l-histidinamide
+c1cc(c(cc1O)O)/C=C\c2cc(cc(c2)O)O	EZH	cis-oxyresveratrol
+c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)[NH+]=C3NCCN3)[NH+]=C4NCCN4	EZK	[4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium
+CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N	EZL	6-ethoxy-1,3-benzothiazole-2-sulfonamide
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](CCCCN)N)O)[N+](=O)[O-]	EZM	n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-l-lysinamide
+c1cc(c2cc[nH]c2c1)c3cc(cc(c3)Cl)CN	EZN	[3-chloranyl-5-(1~{h}-indol-4-yl)phenyl]methanamine
+CN(c1nc(cs1)c2ccccc2Cl)/N=C/c3ccccc3C(=O)O	EZO	2-[(e)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@@H](Cc2c[nH]cn2)N)O)N(=O)=O	EZP	n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-d-histidinamide
+CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6OC)N	EZR	3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-indazol-6-yl}aniline
+Cc1nc(cn1Cc2ccc(cc2)F)C(=O)C	EZS	1-{1-[(4-fluorophenyl)methyl]-2-methyl-1h-imidazol-4-yl}ethan-1-one
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(\C=C\c5ccccc5C(F)(F)F)O)O	EZT	(17beta)-17-{(e)-2-[2-(trifluoromethyl)phenyl]vinyl}estra-1(10),2,4-triene-3,17-diol
+C[C@H](C(=O)N1CC2(C1)COC2)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3	EZU	1-cyclopentyl-6-[[(2r)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5h-pyrazolo[3,4-d]pyrimidin-4-one
+CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N	EZV	4-{3-[7-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-indazol-6-yl}aniline
+CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6	EZW	5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate
+c1ccc(c(c1)CNCC(=O)O)N(=O)=O	EZY	n-[(2-nitrophenyl)methyl]glycine
+CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O	EZZ	(3~{s})-3-[2-[(dimethylamino)methyl]-1~{h}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one
+[F-]	F	fluoride ion
+C=CCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O	F00	(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F	F01	4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one
+CCN(CC)c1ccc(cc1)C(=O)NN	F02	4-(diethylamino)benzohydrazide
+CC(=O)NC1=Nc2ccccc2C(=O)N1	F03	n-(4-oxo-3h-quinazolin-2-yl)acetamide
+CCN1C(=O)c2ccccc2C(=N1)C	F04	2-ethyl-4-methyl-phthalazin-1-one
+c1ccc2c(c1)CN=C2N	F05	1h-isoindol-3-amine
+[H]/N=C(\N)/SCc1ccccc1Cl	F06	2-chlorobenzyl carbamimidothioate
+c1cncc2c1ncc3c2scc3	F07	thieno[3,2-c][1,6]naphthyridine
+COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2	F08	methyl 4-(4-oxo-4h-chromen-2-yl)benzoate
+CCCCCCCCCO	F09	nonan-1-ol
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O)OC	F0A	3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
+c1ccc(cc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O	F0B	(3~{s})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one
+COc1ccc(cc1)CC2=NCCC3=C2CCCC3	F0C	1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)CCBr	F0D	3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
+c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C(=O)NCCCNC(=O)OC8CCCCCCC8	F0E	cyclooctyl ~{n}-[3-[[4-[5-[[(3~{r})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{h}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate
+CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2	F0F	(1r,2s)-2-(aminomethyl)-n,n-diethyl-1-phenyl-cyclopropane-1-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O	F0G	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-alanine
+c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)Nc4ccnc(c4)C#CCCNC(=O)O[C@@H]5CCC/C=C\CC5)F)Cl	F0H	[(1~{r},4~{z})-cyclooct-4-en-1-yl] ~{n}-[4-[4-[[4-[1-[(1~{s})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
+COc1ccc(c(c1)OC)O	F0J	2,4-dimethoxyphenol
+Cn1cc(nc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O	F0K	(3~{s})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{h}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one
+C[C@@]1([C@@H](C2=[N]3C1=Cc4c(c(c5n4[Ni+2]36[N]7=C(C=C8N6C(=C2)[C@@]([C@@H]8CCC(=O)O)(C)CC(=O)O)C(=C(C7=C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	F0L	nickel-sirohydrochlorin
+COc1cc(ccc1O)N(=O)=O	F0M	2-methoxy-4-nitrophenol
+c1ccc2c(c1)c(c([nH]2)[C@H]3CCCN3)[C@@H]4c5ccccc5C(=O)N4	F0N	(3~{s})-3-[2-[(2~{r})-pyrrolidin-2-yl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one
+c1c(sc(n1)Cl)C(=O)O	F0O	2-chloranyl-1,3-thiazole-5-carboxylic acid
+c1cc(cc(c1)C(=O)N)CCN(CCC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	F0P	(2~{s})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid
+Cn1nc(nn1)CN(Cc2ccc(cc2)N)C(=O)NCC(=O)N3CCC[C@@H]3c4ccccc4Br	F0Q	1-[(4-aminophenyl)methyl]-3-[2-[(2~{r})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea
+Cc1ccccc1NC(=S)NCc2ccco2	F0R	1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea
+CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c(cccc3OC)OC)F)C(=O)Nc4ccc5c(c4)cn[nH]5	F0S	(4~{s})-4-[3-[(2,6-dimethoxyphenyl)methylcarbamoyl]-4-fluoranyl-phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide
+CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)CC2CC2	F0T	ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate
+Cc1cc(cc(c1NC(=O)c2cc(nn2c3c(cccn3)Cl)Br)C(=O)NC)Cl	F0U	5-bromanyl-n-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide
+Cc1ccc(cc1Cl)Nc2cc(nc3[n+]2nc([nH]3)Cc4ccccc4)C	F0V	2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3h-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
+CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2nnn(n2)C	F0W	ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate
+C[C@@]1([C@@H](C2=[N]3C1=Cc4c(c(c5n4[Co+2]36[N]7=C(C=C8N6C(=C2)[C@@]([C@@H]8CCC(=O)O)(C)CC(=O)O)C(=C(C7=C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	F0X	cobalt-sirohydrochlorin
+Cc1ccc2c(n1)[nH]c(n2)N[C@H](CC#N)c3cccc(c3)CC4CCN(CC4)C(=O)OC	F0Y	methyl 4-[(3-{(1r)-2-cyano-1-[(5-methyl-3h-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate
+c1ccc(c(c1)C2=NCCCN2)S	F0Z	2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol
+c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F	F10	2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCNc4c5ccccc5nc6c4CCCC6	F11	n,n'-di-1,2,3,4-tetrahydroacridin-9-ylpentane-1,5-diamine
+CC(=O)Nc1c(ccs1)C(=O)O	F12	2-(acetylamino)thiophene-3-carboxylic acid
+c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3	F13	3-fluoro-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide
+CC1=Nc2nc(nn2C(=O)C1)N[C@H](C)c3cccc(c3)Oc4ccc(cc4)OC	F14	2-({(1r)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6h)-one
+CCCCCCCCCCCCCCC(=O)O	F15	pentadecanoic acid
+c1cc(cc(c1)O)C2=CC(=O)NS2(=O)=O	F16	5-(3-hydroxyphenyl)isothiazol-3(2h)-one 1,1-dioxide
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)C3=CC(=O)NS3(=O)=O)C(=O)N)NC(=O)Cc4ccc(cc4)C5=CC(=O)NS5(=O)=O	F17	n-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-l-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-l-phenylalaninamide
+c1cc(ccc1/N=N\c2c([nH]nc2N)N)O	F18	4-[(e)-(3,5-diamino-1h-pyrazol-4-yl)diazenyl]phenol
+c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O	F19	2-[(2-naphthylsulfonyl)amino]ethyl dihydrogen phosphate
+Cc1cc(c(c(c1)C)S(=O)(=O)N)C	F1A	2,4,6-trimethylbenzenesulfonamide
+CC(=O)c1ccc2c(c1)/C(=C(\c3ccccc3)/NC4CCN(CC4)C)/C(=O)N2	F1B	(3~{z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{h}-indol-2-one
+CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3cccc(c3)NC(=O)C	F1C	3,5-bis(3-acetamidophenyl)benzoic acid
+CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)OC4CCN(CC4)C(=O)OC	F1D	methyl 4-(3-{(1r)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl}phenoxy)piperidine-1-carboxylate
+CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C	F1E	ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate
+Cn1c2c(cc(s2)C(=O)NCCS)c(n1)C(F)(F)F	F1G	1-methyl-3-trifluoromethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide
+c1ccc(cc1)CN2CCC(CC2)NC(=O)CCCS	F1H	n-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
+COc1cccc(c1CN2CCC(CC2)NC(=O)CCCS)OC	F1I	n-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
+c1cc(ccc1C[N@@]2CCN[C@@H](C2)C(=O)NCCS)F	F1J	(2s)-4-(4-fluorobenzyl)-n-(2-sulfanylethyl)piperazine-2-carboxamide
+c1cc(ccc1C[N@@]2CCN[C@@H](C2)C(=O)NCCCS)F	F1K	(2s)-4-(4-fluorobenzyl)-n-(3-sulfanylpropyl)piperazine-2-carboxamide
+COc1cc(cc(c1OC)CN2CCC(CC2)NC(=O)CCCS)Br	F1L	n-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
+CC(C)Oc1c(cc(cc1OC)Cl)CN2CCC(CC2)NC(=O)COc3ccc(cc3)S(=O)(=O)N	F1M	n-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide
+Cc1cc(ccc1OCC(=O)NC2CCN(CC2)Cc3cc(cc(c3OC(C)C)OC)Cl)S(=O)(=O)N	F1N	n-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
+C1[C@H]([C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O	F1P	1-o-phosphono-beta-d-fructopyranose
+CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2[nH]nnn2	F1Q	ethyl 2-[[(4-aminophenyl)methyl-(1~{h}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate
+COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCCNc4nc(nc(n4)N)N	F1R	n4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
+Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)Cl)NS(=O)(=O)C)C4CCOCC4	F1S	n-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2h-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide
+Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F	F1T	3,6-dimethyl-~{n}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
+CN(C)C[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O	F1U	(1s,2s)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
+CC(C)(C)C(=O)NCCc1c[nH]c2c1cc(cc2)OC	F1V	n-[2-(5-methoxy-1h-indol-3-yl)ethyl]-2,2-dimethylpropanamide
+CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2)NC(=O)CCCCN(C)C	F1W	4-~{tert}-butyl-~{n}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O	F1X	1-o-phosphono-beta-d-fructofuranose
+CCCc1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO	F1Y	n-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide
+CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(cc1)N	F1Z	ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N)NC(=O)c4ccccc4	F20	n-benzoyl-l-phenylalanyl-4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-l-phenylalaninamide
+c1cc2c(cc1S(=O)(=O)N3CCSCC3)CN[C@H](C2)CF	F21	(3r)-3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
+CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O	F22	(4z,7z,10z,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenoic acid
+CCCCCCCCCCCCCCCCCCCCCCC(=O)O	F23	tricosanoic acid
+C[C@H](CCCC[C@H]([C@@H](CO)C=O)O)CC(=CC(=CC(=O)O)C)C	F24	(7r,12r,13r)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid
+c1cc(ccc1CN2[C@@H]([C@H]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)C(N)N)C(F)F)F	F25	4-(1r,3as,4r,8as,8br)-[1-difluoromethyl-2-(4-fluorobenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine
+Cc1ccc(c(c1C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)C	F26	2-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene
+c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O	F27	6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
+C=CCn1c2c(cc(nn2)c3c4ccccn4nc3c5ccccc5)c(n1)N	F29	1-allyl-5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridazin-3-amine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)N	F2A	2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine
+c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N	F2B	n-(2,3-difluoro-benzyl)-4-sulfamoyl-benzamide
+c1ccc(cc1)CCCCCCC(=O)c2ncc(o2)c3cccc(n3)C(=O)O	F2C	6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
+CCCCCC/C=C/CC1=C(C(=O)c2ccccc2N1)C	F2D	3-methyl-2-[(2e)-non-2-en-1-yl]quinolin-4(1h)-one
+C[C@H]([C@@H](C(=O)N1CCCN1c2ccccc2Br)NC(=O)NCc3ccc(cc3)N)OCCCO	F2E	1-[(4-aminophenyl)methyl]-3-[(2~{s},3~{r})-1-[2-(2-bromophenyl)pyrazolidin-1-yl]-1-oxidanylidene-3-(3-oxidanylpropoxy)butan-2-yl]urea
+c1cc(c(cc1C[C@@H](C(=O)O)N)F)F	F2F	3,4-difluoro-l-phenylalanine
+CC(C)[C@@H](C(N[C@@H](C)C(N[C@@H](CC(O)O)[C@H](C)O)O)O)NC(O)OCC1CCCCC1	F2G	3-(2-{2-[(cyclohexylmethoxy-hydro-methyl)-amino]-1-hydroxy-3-methyl-butylamino}-1-hydroxy-propylamino)-pentane-1,1,4-triol
+c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)Nc5ccc(c6c5c(ccc6)S(=O)(=O)[O-])S(=O)(=O)[O-]	F2H	4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)I)O)C	F2I	n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-n,n-dipropylisophthalamide
+[H]/N=C(\c1cccs1)/Nc2ccc3c(c2)ccn3C4CCNCC4	F2J	n-[1-(piperidin-4-yl)-1h-indol-5-yl]thiophene-2-carboximidamide
+c1cc(ccc1[C@H]2C(=C(OC3=C2C(=O)NC(=O)N3)N)C#N)Cl	F2K	(5~{s})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
+CC(=O)Nc1c(cccc1F)F	F2L	~{n}-[2,6-bis(fluoranyl)phenyl]ethanamide
+C/C=C/N(C)Cc1ccco1	F2M	(~{e})-~{n}-(furan-2-ylmethyl)-~{n}-methyl-prop-1-en-1-amine
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CCc7ccccc7	F2N	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+O([Fe])[Fe]	F2O	mu-oxo-diiron(iii)
+C([C@H]([C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O	F2P	1,6-di-o-phosphono-d-allitol
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/N[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	F2R	adp-ribosyl-l-arginine
+CC[C@@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C	F2S	11-[(2r)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)S)O)F	F2T	2'-deoxy-2'-fluoro-5'-o-thiophosphonouridine
+C#CC1=CN(C(=O)NC1=O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	F2U	2'-deoxy-5-ethynyl-2',2'-difluorouridine
+C[NH+]1CCc2cc(c(cc2C1)OC)OC	F2W	6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium
+C[C@@H]1CC(=O)c2c(cccc2O)C1=O	F2X	(2~{r})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione
+c1c(cc(c(c1F)O)F)C[C@@H](C(=O)O)N	F2Y	3,5-difluoro-l-tyrosine
+COc1cc2c(cc1OC)CNC(=O)C2	F2Z	6,7-dimethoxy-2,4-dihydro-1~{h}-isoquinolin-3-one
+CC(=O)c1ccc(c(c1)OC)N	F31	1-(4-azanyl-3-methoxy-phenyl)ethanone
+c1ccc2c(c1)[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)Nc5nc6ccccc6s5	F32	(5s)-5-{4-[(2s)-2-(1h-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4=O	F33	2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydroquinazolin-4-one
+CC(=O)N[C@H]1CNC[C@H]([C@H]([C@@H]1O)O)O	F34	n-[(3s,4r,5r,6r)-4,5,6-trihydroxyazepan-3-yl]acetamide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CN4C(=O)CNC4=O	F35	3-[[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione
+CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	F36	2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one
+C[C@@]1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3	F37	(5s)-5-methyl-5-[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS(=O)(=O)N	F38	[4-(4-oxo-3,4-dihydroquinazolin-2- yl)phenyl]methanesulfonamide
+CCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(C)(C)CCCC(=CC=C/C(=C/C=C/C(=C/C=CC=C(C)C=CC=C(C)C=Cc2c(ccc(c2C)C)C)/C)/C)C)O)O)O	F39	[(2r,3s,4s,5r,6r)-6-[(10e,12e,14e)-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dodecanoate
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O)N	F3A	2'-deoxy-5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
+c1(c(c(c(c(c1Cl)F)Cl)F)Cl)F	F3B	1,3,5-trichloro-2,4,6-trifluorobenzene
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O	F3C	2'-deoxy-5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+CC/C(=C(/c1ccc(cc1)OCCNCCCC(=O)N(C)C)\c2ccc3c(c2)cn[nH]3)/c4ccccc4	F3D	4-[(2-{4-[(1e)-1-(1h-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-n,n-dimethylbutanamide
+c1ccc(cc1)c2ccnc(n2)N	F3E	4-phenylpyrimidin-2-amine
+c1ccc(cc1)C#Cc2ccc(o2)C(=O)Sc3[nH]c(nn3)C(F)(F)F	F3F	s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
+CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)COP(=O)(O)O	F3H	1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-altritol
+CC1O[Rh+]([Rh+](O1)(O)(O)O)(O)(O)O	F3I	(mi2-acetato-o, o')-hexaaquo-dirhodium (ii)
+CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCC7	F3J	11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)Br	F3K	ruthenium (bis-(tetraazaphenanthrene)) (11-bromo-dipyridophenazine)
+COC(=O)C[C@@H]([C@H](C(F)(F)F)N)O	F3M	methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-l-threo-pentonate
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N	F3N	3'-deoxy-3'-(l-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)
+c1ccc(cc1)C[C@@H](C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N	F3O	3'-o-l-phenylalanyladenosine 5'-(dihydrogen phosphate)
+CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O	F3P	(1s)-1-[(1s)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate
+c1ccc(cc1)N(c2ccc(cc2)O)C(=O)c3cc(n4c3CCCC4)c5cc6c(cc5C(=O)N7Cc8ccccc8C[C@H]7CN9CCOCC9)OCO6	F3Q	~{n}-(4-hydroxyphenyl)-3-[6-[[(3~{s})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{n}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
+S1[Fe]2S[Fe]3[S]2[Fe]1S3	F3S	fe3-s4 cluster
+C([C@@H]([C@H](C(F)(F)F)N)O)C(=O)O	F3T	4-amino-2,4,5-trideoxy-5,5,5-trifluoro-l-threo-pentonic acid
+CC(=O)CN	F3V	1-aminopropan-2-one
+c1cc(cc(c1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)/C=C/C#N	F3W	(~{e})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile
+c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccncc7	F3Z	(3~{r})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{n}-(3-pyridin-4-yl-1~{h}-indazol-5-yl)pyrrolidine-3-carboxamide
+c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	F40	2-phenyl-3h-quinazolin-4-one
+c1cc2c(cc1NC(=O)CN3CCCCC3)OCO2	F41	n-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
+C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	F42	coenzyme f420
+C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O	F43	factor 430
+c1ccnc(c1)CCCc2ccccn2	F44	2,2'-(propane-1,3-diyl)dipyridine
+c1cc(nc(c1)C(=O)c2ccc(c(c2)O)F)c3ccc(c(c3)O)O	F45	[6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)OCCN6CCOCC6	F46	n-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide
+c1cc(ccc1Cc2nnc3n2nc(cn3)c4ccc(cc4)F)O	F47	4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol
+c1cc(oc1CCC#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4	F48	3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile
+COc1c(c(c(c(c1Br)Br)Br)Br)CN2C(=O)C=CN(C2=O)CC(=O)O	F49	[2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2h)-yl]acetic acid
+c1cc(ccc1C(=O)N)Nc2c3c([nH]cn3)ncn2	F4A	4-[(9h-purin-6-yl)amino]benzamide
+c1cc(oc1/C=C/C#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4	F4B	(~{e})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
+c1ccc(c(c1)CNC(=O)C2=CC(=NN(C2=O)c3ccc(cc3)F)c4ccncc4)C(F)(F)F	F4C	2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-n-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide
+[H]/N=C(\c1ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)NS(=O)(=O)c4ccc(cc4)F)/N	F4D	4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide
+COC(=O)c1cc2c([nH]1)cco2	F4E	methyl 4~{h}-furo[3,2-b]pyrrole-5-carboxylate
+CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(C)O	F4F	(5as,6r,9s,9as)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
+c1cc(cnc1)c2cnc3n2cccc3C(=O)N	F4G	3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide
+CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@@H]2F)O)COP(=O)(O)O	F4H	1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-mannitol
+c1cc2c(cc1Nc3c4c(nc[nH]4)ncn3)C=NC2=O	F4J	5-[(7h-purin-6-yl)amino]-1h-isoindol-1-one
+c1ccn(c1)c2ccc(cc2)CO	F4K	(4-pyrrol-1-ylphenyl)methanol
+CC1C(N(C2=C(N1)NC(=NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O	F4M	1-[4-({(1r)-1-[(6s,7r)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -o-{5-o-[(r)-{[(1r)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-ribitol
+Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-]	F4N	~{n}-[(~{e})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{n},2-dimethyl-5-nitro-benzenesulfonamide
+Cc1c2c(c3c(c1OC(=O)C)c(c(c(c3O)C)OC)C(=O)/C(=C/[C@@](C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@@H](/C=C\C=C(\C(=O)N2)/C)C)O)C)O)C(=O)OC)O)C)O)(C)O)/C)O	F4O	6-methoxy-streptovaricin c
+c1cc(ccc1C(c2ccc(cc2)F)N3CCN(CC3)C(=O)n4cncn4)F	F4P	1-[bis(4-fluorophenyl)methyl]-4-(1h-1,2,4-triazol-1-ylcarbonyl)piperazine
+c1nc2c(n1[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)OP(=O)(O)O)O)N=C(NC2=O)N	F4Q	[(1~{s},2~{r},4~{r},6~{s},8~{r})-8-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate
+CCCCCCCCCCCCNC=S	F4R	n-dodecylmethanethioamide
+[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3	F4S	fe4-s3 cluster
+COc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2N3CCCCCC3)C(=O)OC	F4T	methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate
+c1cc2c(cc1O)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O	F4U	2-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione
+C1Cc2c(sc3c2C(=O)NC(=N3)CCC(=O)O)C1	F4W	3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid
+CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CCCCCCCC(=O)O)C	F4X	8-[2-[(e)-2-[4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid
+c1c(c(nc(c1Cl)Cl)O)Cl	F4Z	 3,5,6-trichloro-2-pyridinol
+CC(=O)OO	F50	ethaneperoxoic acid
+Cc1c(c2ccncc2nc1c3ccc(cc3)c4ccccc4)C(=O)O	F51	2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid
+c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O	F52	2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	F53	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate
+Cc1ccc(c(n1)Cl)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)O)C	F54	2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl	F55	n-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(C=CNC1=O)O	F56	3-[(e,2s,4s)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1h-pyridin-2-one
+CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O	F57	(2r)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate
+C1CCC(CC1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	F58	n-[(cyclohexylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+c1ccc(cc1)c2ccc(cc2)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	F59	n-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl	F5A	2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid
+c1c(c(c(c(c1F)F)F)F)F	F5B	1,2,3,4,5-pentafluorobenzene
+C(=C/C(=O)O)\c1c(c(c(c(c1F)F)F)F)F	F5C	penta-fluorocinnamic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OC(=O)CCCCC4C5[C@H](CS4)N[C@H](N5)O)OP(=O)(O)OP(=O)(O)O)O)O)N	F5D	5'-o-[(s)-({5-[(2r,3as,4s,6ar)-2-hydroxyhexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy){[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]adenosine
+CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cn(n2)C	F5E	~{n}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide
+C[C@@H]1C[C@@H]([C@H]([C@@H](C1)C=C)C2=C(C=CNC2=O)O)C	F5F	3-[(1r,2s,4r,6s)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1h-pyridin-2-one
+C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC=O	F5G	(2r,3r,4s,5r,6s)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)[C@H](C)OP(=O)(O)O	F5H	3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-o-phosphono-d-glycero-l-altro-heptitol
+CC1O[Rh+]2(OC(O[Rh+]2(O1)(O)O)C)(O)O	F5I	cis-bis(mi2-acetato-o, o')-tetraaquo-dirhodium(ii)
+c1ccc(cc1)[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O	F5J	7-[(5r)-5-c-phenyl-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C	F5L	(1r,2s)-1-hydroxy-2-{[n-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1cc(c(cc1N2C(=O)C=CC2=O)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O	F5M	5-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid
+c1ccc(cc1)NC(=O)Cc2cn3ccccc3n2	F5N	2-(imidazo[1,2-a]pyridin-2-yl)-n-phenylacetamide
+CC1=C(C(=O)N(C(=O)N1Cc2c(cccc2F)C(F)(F)F)C[C@@H](c3ccccc3)NCCCC(=O)O)c4cccc(c4F)OC	F5O	4-[[(1r)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid
+C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N	F5P	(2r,3r,4s,5r,6s)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3c4cccnc4ccc3N5CCCC5	F5Q	4-[4-(1-methylpiperidin-4-yl)butyl]-~{n}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide
+[H]/N=C(\c1ccc(cc1)Br)/N	F5R	4-bromanylbenzenecarboximidamide
+C[C@@H]1C[C@@H]2C(O2)/C=C\C=C\C(=N\OCc3ccc(cc3)OC)\Cc4cc(cc(c4C(=O)O1)O)O	F5S	(1ar,2z,4e,6e,14r,15ar)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12h-oxireno[e][2]benzoxacyclotetradecin-12-one
+CC1O[Rh+]23(OC(O[Rh+]2(O1)(OC(O3)C(F)(F)F)O)C)O	F5T	cis-bis(mi2-acetato-o, o')-(mi2-trifluoroacetato-o, o')-diaquo-dirhodium (ii)
+COc1ccc2c(c1)c(c[nH]2)CCN	F5U	2-(5-methoxy-1h-indol-3-yl)ethanamine
+Cn1cc(cn1)c2ccc3c(c2)C(=CN(C3=O)C)c4cccc(c4)NS(=O)(=O)C	F5V	n-{3-[2-methyl-6-(1-methyl-1h-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide
+COc1ccc2c(c1)[nH]cc2CCN	F5X	2-(6-methoxy-1h-indol-3-yl)ethanamine
+CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc(cc3)c4cnn(c4)C)C)OC	F5Y	4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1h-pyrazol-4-yl)isoquinolin-1(2h)-one
+CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cccn2	F5Z	4-[4-(1-methylpiperidin-4-yl)butyl]-~{n}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide
+c1cc(cc2c1cc[nH]2)O	F60	1h-indol-6-ol
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCC)O)O	F61	n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide
+CC1=CC(=O)N(c2c1cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C	F62	n-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
+CNCc1ccc(o1)Oc2cccnc2	F63	n-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine
+C[C@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C	F64	(2s)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3cc(ccc3N4CCCCCC4)C(=O)OC	F65	methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate
+Cc1c(c2ccccc2[nH]1)CCN	F66	2-(2-methyl-1h-indol-3-yl)ethanamine
+C[C@@H]1c2cc(ccc2C(=O)N1)Nc3ccncn3	F67	(3r)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1h-isoindol-1-one
+Cc1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	F68	n-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+c1ccc(c(c1)CO)c2cccs2	F69	(2-thiophen-2-ylphenyl)methanol
+c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3C(F)(F)F	F6A	n-biphenyl-3-yl-2-(trifluoromethyl)benzamide
+c1cc(c(c(c1)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F	F6B	n-(2,6-difluoro-benzyl)-4-sulfamoyl-benzamide
+CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C=O)C=C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCCC(C)CCCC(C)C)C(=O)OC)C)C	F6C	chlorophyll f
+Cc1cc(n2c(n1)nc(n2)N[C@H](CC#N)c3cccc(c3)Cl)NC[C@H](c4ccccc4OC)N	F6D	(3r)-3-[(7-{[(2s)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile
+CCCN1CCN(C[C@@H](C1=O)Cc2ccc(cc2)c3ccccc3)C(=O)c4c[nH]cn4	F6E	(6~{s})-1-(1~{h}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
+c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F	F6F	2-{[4-(trifluoromethoxy)benzoyl]amino}ethyl dihydrogen phosphate
+C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	F6G	6-amino-3-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1h)-one
+CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)[C@@H](C)OP(=O)(O)O	F6H	3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-o-phosphono-d-glycero-l-allo-heptitol
+CC(C)Cc1cc(ccc1C(=O)O)c2c[nH]c3c2cc(cn3)c4ccccc4	F6J	2-(2-methylpropyl)-4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
+C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCCCl)O	F6K	homosalinosporamide a - bound form
+CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)Cc5ccc(cc5)C(=O)O)C	F6L	4-[[2-[(e)-2-[4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2h-indol-1-yl]methyl]benzoic acid
+CCCNc1c(cnc(n1)Nc2ccc(cc2)C#N)C#CCCCNC(=O)[C@H](C)N(C)C(=O)C=CCN(C)C	F6M	n-[(2s)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-n-methyl-but-2-enamide
+c1c(nc(o1)CN)C(=O)O	F6N	2-(aminomethyl)-1,3-oxazole-4-carboxylic acid
+CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C	F6O	n4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O	F6P	6-o-phosphono-beta-d-fructofuranose
+c1ccc2c(c1)n(c-3[n+]2[Pd]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O	F6Q	n,n-pyridylbenzimidazole derivative-pd complex
+C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O	F6R	fructose -6-phosphate
+C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3c(cccc3F)F	F6T	(3~{s})-3-[2,6-bis(fluoranyl)phenyl]-~{n}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
+C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O	F6U	[(2r,3r)-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
+c1ccc(cc1)CCSc2ccc(cc2)S(=O)(=O)N	F6W	4-(2-phenylethylsulfanyl)benzenesulfonamide
+C[C@H]([C@@H](CO)NC(=O)CN1C=CC(=NC1=O)N)OP(=O)(O)O	F6X	[(2r,3r)-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
+c1cc2c(cc1C(=O)O)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O	F6Y	3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid
+c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O	F6Z	3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)OCC#N	F70	cyanomethyl 4-(4-oxo-4h-chromen-2-yl)benzoate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4	F71	3-hydroxy-n-[(2s,3r)-3-hydroxy-4-([(2s)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino)-1-phenylbutan-2-yl]benzamide
+c1ccc(cc1)C[C@@H]([C@@H](C[N@](CC2CCCCC2)S(=O)(=O)c3ccc4c(c3)scn4)O)NC(=O)c5cccc(c5)O	F72	n-{(2s,3r)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide
+C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)OP(=O)(O)O	F73	[(2r,3r)-3-[2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
+C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Cl)C(=O)N=C(N3)N)COP(=O)(O)O)O	F74	8-chloro-2'-deoxyguanosine 5'-(dihydrogen phosphate)
+c1c(nc(s1)CN)C(=O)O	F75	2-(aminomethyl)-1,3-thiazole-4-carboxylic acid
+c1ccc2c(c1)c(c3c(n2)CCCCC3)C(=O)OCC(=O)Nc4ccc(cc4)S(=O)(=O)N	F76	2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6h-cyclohepta[b]quinoline-11-carboxylate
+CCc1ccc(c(c1C)C(=O)O)NS(=O)(=O)c2ccc(cc2)F	F77	3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid
+COc1ccc(cc1)S(=O)(=O)[N@@](CCCc2ccccc2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O)O	F78	3-hydroxy-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide
+CCc1ccc(c(c1OCCN)C(=O)O)NS(=O)(=O)c2ccc(cc2)F	F79	2-(2-aminoethoxy)-3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}benzoic acid
+c1ccc(cc1)Oc2cccc(c2)NC(=O)c3ccccc3C(F)(F)F	F7A	n-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide
+c1cc2c(cc1Cl)C(=O)CCS2	F7B	6-chloranyl-2,3-dihydrothiochromen-4-one
+[C@H](C(=O)C(=O)O)(C(=O)O)O	F7C	(2~{s})-2-oxidanyl-3-oxidanylidene-butanedioic acid
+C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)CC#C	F7D	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+C[C@@H]1C(=O)[C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O	F7E	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},6~{r})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphate
+Cc1cc2c(cc1C)N3[C@@]4(O3)C(=O)NC(=O)N=C4N2C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O	F7F	3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)O)O	F7H	4-azanyl-1-[(1~{s},2~{r},4~{s},6~{s},8~{r})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one
+c1ccc(cc1)CNC(=O)c2ccc-3cc2OCCOCCNc4ccn5c(c3cn5)n4	F7I	~{n}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
+Cc1c(ccc2c1c(cn2C)C3CCN(CC3)C(=O)C4CCCC4)NC(=O)c5cccc(c5)C#N	F7J	3-cyano-n-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1h-indol-5-yl}benzamide
+c1nc2c(n1[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)O)O)N=C(NC2=O)N	F7K	2-azanyl-9-[(1~{s},2~{r},4~{s},6~{s},8~{r})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{h}-purin-6-one
+c1ccc(c(c1)COC[C@H](CN2CCCC2)O)F	F7L	(2s)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol
+Cn1cc(c2c1ccc(c2)NC(=O)c3cc(ccn3)C#N)C4CCN(CC4)C(=O)C5CCCCC5	F7M	4-cyano-n-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1h-indol-5-yl}pyridine-2-carboxamide
+CC(C)[C@@]1(CC[C@H](C1)[NH2+][C@H]2CCOC[C@H]2OC)C(=O)N3CCc4c(cc(cn4)C(F)(F)F)C3	F7N	[(3~{s},4~{s})-3-methoxyoxan-4-yl]-[(1~{r},3~{s})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{h}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium
+c1nc(c2c(n1)n(cn2)CC(=O)N[C@H](CO)COP(=O)(O)O)N	F7O	[(2r)-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
+C[C@H](C(C)(C)n1cc(c2c1cccc2)C[C@@H](C(=O)O)N)O	F7P	1-[(3r)-3-hydroxy-2-methylbutan-2-yl]-l-tryptophan
+C1=CC(C=CC1=O)(C[C@@H](C(=O)O)N)OO	F7Q	(2~{s})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid
+C1=CN(C(=O)N=C1N)CC(=O)N[C@H](CO)COP(=O)(O)O	F7R	[(2r)-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
+C[C@@H](C[C@@H](C(=O)O)NC)CO	F7S	(4s)-5-hydroxy-n-methyl-l-leucine
+c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O	F7T	alkylated sulphonate-n,n-pyridylbenzimidazole-pt complex
+c1nc2c(n1CC(=O)NC(CO)CO)N=C(NC2=O)N	F7U	2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-n-[1,3-bis(oxidanyl)propan-2-yl]ethanamide
+C/C=C/C[C@@H](C(=O)O)N	F7V	(2s,4e)-2-aminohex-4-enoic acid
+c1cc2c(c[nH]c2c(c1)F)C[C@@H](C(=O)O)N	F7W	7-fluorotryptophan
+c1nc2c(n1CC(=O)N[C@H](CO)COP(=O)(O)O)N=C(NC2=O)N	F7X	[(2r)-2-[2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
+Cc1cc(nc(n1)Nc2ccc(c(c2)C3=CCNCCC3)OC)NC	F80	n2-[4-methoxy-3-(2,3,4,7-tetrahydro-1h-azepin-5-yl)phenyl]-n4,6-dimethyl-pyrimidine-2,4-diamine
+COc1cccc(c1O)Br	F81	2-bromo-6-methoxyphenol
+CC(C)n1cc(cn1)NC(=O)Cc2ccc(cc2OC)Oc3c4cc(c(cc4ncn3)OC)OC	F82	2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{n}-(1-propan-2-ylpyrazol-4-yl)ethanamide
+c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CN[C@H](C3)CO)Cl	F83	(3r)-n-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
+CC(C)(C)c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	F85	n-[(4-tert-butylbenzoyl)carbamoyl]-beta-d-glucopyranosylamine
+c1cc(n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C#N	F86	[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)CC#C	F87	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC	F88	~{n}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
+CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O	F89	s)-2-(5(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid
+c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3)C(F)(F)F	F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1h-carbazole-8-carboxylic acid
+CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC	F8B	~{n}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C	F8C	(1s,2s)-1-hydroxy-2-{[n-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cc(ccc3O2)Cl)CO	F8D	1-[(3s,3as,8bs)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1h-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one
+COC(=O)c1cc(ccc1Br)Nc2c3cc[nH]c3ncn2	F8E	methyl 2-bromo-5-(7h-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate
+[C@@H]1(C(C([C@H](OC1O)C(=O)O)O)O)N	F8F	(2s,5s)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid
+C[C@@H]1CCC(=C([C@@]12CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)O	F8G	s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5r,10r)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name)
+CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Nc3c4c(cc(cc4F)OCCOC)ncn3	F8H	~{n}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
+CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc3ccn4c(c2cn4)n3	F8I	~{n}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
+CC(C)NC(=O)Cn1cc(c2c1cc(cc2)NC(=S)NCCc3c[nH]c4c3cccc4)CN5CCN(CC5)C	F8J	2-{6-({[2-(1h-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1h-indol-1-yl}-n-(propan-2-yl)acetamide
+C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2OC)c3cccc(c3)OC	F8K	[4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
+CC(=CCCC(=CCCC(=CCC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C\COP(=O)(O)O[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)/C)/C)/C)/C)/C)/C)/C)C)C)C	F8L	[(2z,6e,10e,14z,18e,22z,26z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2s,3s,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate
+CN(C)CCCc1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O	F8M	2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
+COc1cccc(c1)c2cccc(c2)CC3(CCOCC3)C(=O)NCCCn4ccnc4	F8N	~{n}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
+c1cc2c(cc1C3CCC(CC3)(F)F)C(=O)c4cc(c(nc4O2)N)C(=O)O	F8P	2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
+C[NH+](C)Cc1ccc(cc1)Nc2ccc(c(c2OC)F)c3cccc(c3)OC	F8Q	[4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
+CC(C)S(=O)(=O)c1ccccc1Nc2c3c(cc[nH]3)nc(n2)Nc4cc5c(cc4OC)CCN5C(=O)CN(C)C	F8R	2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5h-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone
+c1cc2c(cc1C3CCS(=O)(=O)CC3)C(=O)c4cc(c(nc4O2)N)C(=O)O	F8S	2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
+C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2)c3cccc(c3)OC	F8T	[4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
+C([C@@H]([C@H](CS(=O)(=O)O)O)O)S(=O)(=O)O	F8U	(2r,3r)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid
+CS[C@]1(CCN(C1)CC(=O)N2CCN(CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccc(cc7)F	F8V	(3s)-n-[3-(4-fluorophenyl)-1h-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide
+c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O)O	F8W	4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid
+[C@@H]1([C@@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N	F8X	2-amino-2-deoxy-beta-d-altropyranuronic acid
+CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)[C@H]1C)CC#C	F8Y	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+C[C@H]1CN(C(=O)c2cc(ccc2O[C@H]1CN(C)Cc3ccc4c(c3)OCO4)NC(=O)Nc5ccc(cc5)OC)[C@@H](C)CO	F8Z	1-[(2~{r},3~{s})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{s})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{h}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
+[H]/N=C(\N)/SCc1ccc(cc1)Cl	F90	4-chlorobenzyl carbamimidothioate
+c1cc2c(cc1NCc3ccncc3)OCCO2	F91	n-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
+c1cc(ccc1c2c(n(cn2)C3CCC(CC3)O)c4ccnc(n4)N)F	F92	4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol
+c1cc(c(cc1[C@@H]([C@H](C(=O)O)N)O)Cl)O	F93	(2r,3s)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid
+c1cc(cc(c1)O)C2=CC(=O)c3ccc(cc3O2)O	F94	7-hydroxy-2-(3-hydroxyphenyl)-4h-chromen-4-one
+c1cc(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O	F95	(7,8-dihydroxy-2-oxo-2h-chromen-4-yl)acetic acid
+CC(C)n1c2cc(ncc2cn1)Nc3cc(nc(n3)N4CCC(C4)(F)F)[C@@H]5CCNC5	F97	n-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3r)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-pyrazolo[4,3-c]pyridin-6-amine
+CC(=O)N(CCCP(=O)(O)O)O	F98	3-[ethanoyl(hydroxy)amino]propylphosphonic acid
+CN(C)Cc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F	F9A	n-{3-[(dimethylamino)methyl]phenyl}-2-(trifluoromethyl)benzamide
+c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O	F9B	2-[[(2~{s})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol
+C#CC[C@H](C(=O)O)N	F9D	(2r)-2-aminopent-4-ynoic acid
+CC(C)[C@@H](C(=O)OC[C@H](CO)OCn1cnc2c1NC(=NC2=O)N)N	F9E	[(2~{s})-2-[(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{s})-2-azanyl-3-methyl-butanoate
+c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O	F9F	2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate
+COc1ccc(cc1O)Br	F9G	5-bromo-2-methoxyphenol
+Cc1cc([nH]n1)Nc2nc(c(c(n2)O[C@@H](C)c3ncc(cn3)F)F)N4CCOCC4	F9J	5-fluoro-4-[(1s)-1-(5-fluoropyrimidin-2-yl)ethoxy]-n-(5-methyl-1h-pyrazol-3-yl)-6-morpholino-pyrimidin-2-amine
+CN1CCC[C@H](C1=O)C(=O)N[C@H]2CCCCCCCNc3ccc(cc3S(=O)(=O)NC(=O)[C@]4(C[C@H]4C=C)NC(=O)[C@@H]5C[C@H](CN5C2=O)OC(=O)N6Cc7cccc(c7C6)F)F	F9K	(1'r,2r,2's,6s,24as)-17-fluoro-6-(1-methyl-2-oxopiperidine-3-carboxamido)-19,19-dioxido-5,21,24-trioxo-2'-vinyl-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24a-octadecahydrospiro[benzo[s]pyrrolo[2,1-g][1,2,5,8,18]thiatetraazacycloicosine-22,1'-cyclopro-2-carboxylatepan]-2-yl 4-fluoroisoindoline
+CN(C)CCCNS(=O)(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	F9N	3-[[6-(cyclohexylmethoxy)-7~{h}-purin-2-yl]amino]-~{n}-[3-(dimethylamino)propyl]benzenesulfonamide
+C1CCC(CC1)C(=O)NO	F9P	n-hydroxycyclohexanecarboxamide
+Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F	F9Q	6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O	F9R	digitoxin
+c1ccc(cc1)CCCCOCCCCCCNCC(=O)c2ccc(c(c2)CO)O	F9S	1-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-{[6-(4-phenylbutoxy)hexyl]amino}ethan-1-one
+CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)Oc3cccc(n3)O	F9T	6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol
+C[C@]12CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@@H]3CCC4=O)C	F9U	(3z,5r,8r,9s,10r,13s,14r)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione
+c1ccc(cc1)C(CC(=O)O)C(=O)O	F9V	(2s)-2-phenylbutanedioic acid
+c1c(cc(cc1F)F)O[C@H]2C=C([C@@H]([C@@H]([C@H]2O)O)O)CO	F9W	(1~{r},2~{s},3~{s},6~{s})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
+CC[C@H]([C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O)O	F9X	(2s,3r)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid
+c1cc(cc2c1cc[nH]2)C#N	F9Y	1h-indole-6-carbonitrile
+CN1CC[C@@H]([C@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O	F9Z	2-(2-chlorophenyl)-8-[(3~{r},4~{r})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N	FA	folic acid
+c1cc(c(cc1F)N)C(=O)O	FA0	2-amino-4-fluorobenzoic acid
+C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O	FA1	2,3 -anhydro-quinic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)(O)O)O)N	FA2	5-(6-amino-9h-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate
+C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O	FA3	2-anhydro-3-fluoro-quinic acid
+[H]/N=C(/N)\NCc1ccccc1CCCCCCCCCC(=O)N[C@H](CCCCN)C(=O)NO	FA4	sm-25453
+c1ccc(cc1)C[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	FA5	adenosine-5'-[phenylalaninyl-phosphate]
+C1[C@H]([C@@H](/C(=N/O)/C[C@]1(C(=O)O)O)O)O	FA6	3-hydroxyimino quinic acid
+CC(C)C\C=C\C=C/C(=O)O	FA7	(2z,4e)-7-methylocta-2,4-dienoic acid
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@H]3N2)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FA8	[[(2r,3s,4s)-5-[(4as)-7,8-dimethyl-2,4-dioxo-4a,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
+Cc1cc2c(cc1C)N3C(=O)CC([C@@]34[C@@H](N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8	FA9	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(3r,3as,7ar)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)Cc7ccc(cc7)O	FAA	n5-(4-hydroxybenzyl)flavin-adenine dinucleotide
+Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)C(=O)C(C)C	FAB	flavin-adenine dinucleotide-n5-isobutyl ketone
+C(C(F)(F)F)(C(F)(F)F)(O)O	FAC	1,1,1,3,3,3-hexafluoropropanediol
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FAD	flavin-adenine dinucleotide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O	FAE	flavin-n7 protonated-adenine dinucleotide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C=O)NC(=O)C	FAF	2-acetylamino-4-methyl-pentanoic acid (1-formyl-2-phenyl-ethyl)-amide
+COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O	FAG	[1',2'-dideoxy[2-amino-5-([9-hydroxy-aflatoxinb2-8-yl]-formyl-amino)-6-oxo-1,6-ihydro-pyrimidin-4-ylamino]-ribofuranose]-5-monophosphate group
+C(C(=O)O)F	FAH	fluoroacetic acid
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N	FAI	5-(formylamino)-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxamide
+Cc1cc2c(cc1C)N3[C@@H](C[C@@H]([C@]34C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8ccccc8)O	FAJ	fad-trans-2-phenylcyclopropylamine adduct
+C(CCNC(=O)C(F)(F)F)C[C@@H](C(=O)O)N	FAK	n~6~-(trifluoroacetyl)-l-lysine
+CN(C)C[C@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O	FAL	(2r)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@H](C(=O)N)F)O	FAM	alpha-fluoro-amidocarboxymethyldethia coenzyme a complex
+c1ccc(cc1)NC=O	FAN	formanilide
+Cc1cc2c(cc1C)[N@@]([C@@H]3[C@H](N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FAO	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(4as,10ar)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+CN(C)C[C@@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O	FAP	(2s)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)Cc4ccccc4)O	FAQ	phenylacetyl coenzyme a
+C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	FAR	farnesyl
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FAS	arabino-flavin-adenine dinucleotide
+CCCCCCCCCCCCCCCC(=O)O	FAT	1-hexyldecanoic acid
+CN(c1ccccc1Cl)C(=O)c2cc3c(s2)-c4ccccc4OC3	FAV	n-(2-chlorophenyl)-n-methyl-4h-thieno[3,2-c]chromene-2-carboxamide
+CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC	FAW	(2s)-3-hydroxypropane-1,2-diyl ditetradecanoate
+c1nc(c(c(n1)N[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(O)O)NC=O)N	FAX	[(1r,2s,4r)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate
+Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FAY	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate
+CC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccccc4Cl	FAZ	8-(acetylamino)-n-(2-chlorophenyl)-n-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
+C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=CC=O)CCO1)(C(=O)N2)O)O)O	FB	5a-formylbicyclomycin
+C[C@H](CCN)[C@@H](C)CCN(C[C@@H]([C@@H]([C@@H](COP(=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O)O)CNC(=O)NC(=O)C	FB0	(2r,3s,4s)-5-({[(acetylcarbamoyl)amino]methyl}[(3s,4r)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+c1ccc(c(c1)S(=O)(=O)N)Cl	FB1	2-chlorobenzenesulfonamide
+c1ccc(cc1)S(=O)(=O)N	FB2	benzenesulfonamide
+c1cc(c(cc1Cl)N)Oc2ccc(cc2O)Cl	FB4	2-(2-amino-4-chlorophenoxy)-5-chlorophenol
+B(CCCC[C@@](C(F)F)(C(=O)O)N)(O)O	FB5	2-(difluoromethyl)-6-(dihydroxyboranyl)-l-norleucine
+B(CCCCC(C)(C(=O)O)N)(O)O	FB6	6-(dihydroxyboranyl)-2-methyl-l-norleucine
+c1c(cc(nc1N2CCOCC2)N3CCOCC3)c4cnc(cc4C(F)(F)F)N	FB7	5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
+Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)C	FB8	4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{n}-(4-methylsulfonylphenyl)pyrimidin-2-amine
+COC[C@@H]1[C@@H]([C@H]2N1C[C@@H]([C@@H](CN(C2)C(=O)Nc3ccc(cc3)OC4CC4)O)O)c5ccc(cc5)C#Cc6ccccc6	FB9	(3s,4r,8r,9r,10s)-n-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
+c1cc(ccc1C[NH3+])F	FBA	4-fluorobenzylamine
+c1cc2c(cc1F)sc(n2)N	FBB	6-fluoro-1,3-benzothiazol-2-amine
+c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O	FBC	3',5'-difluorobiphenyl-4-carboxylic acid
+c1cc(ccc1CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F	FBD	n-({(1r)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-l-glutamic acid
+C(/C=C/CN)C(=O)O	FBE	(3e)-5-aminopent-3-enoic acid
+[H]/N=C(/c1ccc(cc1)C(F)(F)F)\N	FBF	4-(trifluoromethyl)benzenecarboximidamide
+c1c(cc(c2c1COCO2)C(=O)O)F	FBG	6-fluoro-4h-1,3-benzodioxine-8-carboxylic acid
+CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O	FBI	7-[4-(4-fluoro-phenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl] -3,5-dihydroxy-heptanoic acid
+C1CC=C(C1)C(=O)NO	FBJ	n-hydroxycyclopent-1-ene-1-carboxamide
+c1cc(cc(c1)C(=O)O)c2cccc(n2)c3cccc(c3)O	FBK	3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid
+CN(C)C[C@@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O	FBL	(2s)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
+C1CCC(=CC1)C(=O)NO	FBM	n-hydroxycyclohex-1-ene-1-carboxamide
+c1c(cc(c(c1C(=O)NCc2cn(nn2)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)[N+](=O)[O-]	FBN	5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1h-1,2,3-triazol-1-yl]adenosine
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)NO)N	FBO	l-phenylalanyl-n6-[(benzyloxy)carbonyl]-n1-hydroxy-l-lysinamide
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O	FBP	1,6-di-o-phosphono-beta-d-fructofuranose
+Cc1c(c(c2c(n1)cccc2F)N)CSCc3cccc(c3)C(C(F)(F)F)(O)O	FBQ	1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]thio}methyl)phenyl]-2,2,2-trifluoroethane-1,1-diol
+CCCC[C@@]12CCC(=O)C(=C1c3ccc(cc3C2)O)Br	FBR	(9as)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3h-fluoren-3-one
+c1cc(ccc1F)S(=O)(=O)N	FBS	4-fluorobenzenesulfonamide
+c1cc(c(c(c1)F)S(=O)(=O)N)F	FBT	2,6-difluorobenzenesulfonamide
+c1c(cc(cc1F)S(=O)(=O)N)F	FBU	3,5-difluorobenzenesulfonamide
+c1ccc(c(c1)F)S(=O)(=O)N	FBV	2-fluorobenzenesulfonamide
+c1cc(cc(c1)S(=O)(=O)N)F	FBW	3-fluorobenzenesulfonamide
+CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F	FBX	ethyl n-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
+CCCCN1c2cnc(nc2N([C@@H](C1=O)C)C)Nc3cc(c(c(c3)F)O)F	FBY	(7r)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5h)-one
+C[C@@H](CC(=O)O)c1ccccc1	FBZ	(3s)-3-phenylbutanoic acid
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)O	FC0	n-carboxy-l-phenylalanine
+CN(C)CCCOC1=CC(=O)Sc2c1cccc2	FC1	thiocoumarin
+c1cc(c(cc1Cl)c2ccc(o2)C(=O)O)Cl	FC2	5-(2,5-dichlorophenyl)-2-furoic acid
+c1ccc(c(c1)c2ccc(o2)C(=O)O)C(F)(F)F	FC3	5-[2-(trifluoromethyl)phenyl]-2-furoic acid
+C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl	FC4	(2r)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide
+c1cc2c(cc1O)C=CC(=S)O2	FC5	6-hydroxy-2h-chromene-2-thione
+C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N	FC6	hexacyanoferrate(3-)
+C[C@@H]1[C@@H]2CC[C@@H](C2=C[C@]3([C@@H]4[C@@H](CCO4)C(=C3[C@H]([C@@H]1O)O[C@@H]5[C@@H]([C@H]([C@H]6[C@H](O5)COC(O6)(C)C)O)O)C(C)C)C)COC	FC7	fusicoccin a-thf
+CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N	FC8	~{n}2-[(1~{r},2~{s})-2-azanylcyclohexyl]-~{n}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine
+c1cc(ccc1n2cc(nn2)CNC(=S)Nc3ccc(c(c3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O)S(=O)(=O)N	FC9	2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1h-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	FCA	alpha-d-fucopyranose
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	FCB	beta-d-fucopyranose
+c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4ccncc4)Cc5ccncc5	FCC	1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
+c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl	FCD	5-(2-chlorophenyl)furan-2-carboxylic acid
+CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NC(CCCN(O3)C(=O4)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCN1O5)C(=O)N6)C	FCE	ferrichrome
+c1cc(cc(c1)C(=O)O)\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2	FCF	3-[(1e,7e)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
+Cc1cc2c(cc1C)[N@]3[C@@H](CC[C@@]34C(N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4O)O	FCG	(n5,c4a)-(alpha-hydroxy-propano)-3,4,4a,5-tetrahydro-flavin-adenine dinucleotide
+c1ccc(cc1)C[C@@H]([C@@H](CNCC2CCCCC2)O)N	FCH	(2r,3s)-3-amino-1-[(cyclohexylmethyl)amino]-4-phenylbutan-2-ol
+CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C	FCI	ferricrocin-iron
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N	FCJ	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine
+c1cc(cc(c1)C(=O)O)CNCCCON=CC2=CC(=O)NC(=O)N2	FCK	3-({[3-({[(1e)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid
+c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N	FCL	3-chloro-l-phenylalanine
+CCc1cc(c2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC)F	FCM	(9as)-8-acetyl-n-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
+C[C@H]1[C@H](O1)P(=O)(O)O	FCN	fosfomycin
+C(#N)[Fe](=C=O)C#N	FCO	carbonmonoxide-(dicyano) iron
+CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O	FCP	(2r)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
+CC(C)c1c2c(c(nc(n2)SCCN)NCc3ccc(cc3)c4ccccn4)n[nH]1	FCQ	5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{n}-[(4-pyridin-2-ylphenyl)methyl]-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+c1cc(ccc1C(F)(F)F)O	FCR	alpha,alpha,alpha-trifluoro-p-cresol
+C[C@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)CC#C	FCS	(7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)F)O)CO)CO)O)O)O)O	FCT	deoxy-2-fluoro-b-d-cellotrioside
+c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cc(cc(c2)F)c3ccccn3	FCV	3-fluoro-n'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide
+c1cc2c(cc1C3CCCCC3)CC(=O)N2	FCW	5-cyclohexyl-1,3-dihydroindol-2-one
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@@H](C(=O)O)F)O	FCX	alpha-fluoro-carboxymethyldethia coenzyme a complex
+C([C@@H](C(=O)O)N)S	FCY	free cysteine
+Cc1c2c(nn(c2nc(n1)N)C(C)C)c3ccc4c(c3)nc(o4)N	FCZ	5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCCC[C@@H]2C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N	FD1	n-alpha-(2-naphthylsulfonyl)-n-(3-amidino-l-phenylalaninyl)-d-pipecolinic acid
+[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O)c3ccc4ccccc4c3)\N	FD2	n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic acid methyl ester
+[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCNCC2)NS(=O)(=O)c3ccc4ccccc4c3)\N	FD3	n-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide
+CC(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3	FD4	n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)-4-acetyl-piperazine
+Cc1cc2c(cc1C)N(C3=NC(=O)N(C(=O)C3=N2)OCCS(c4ccc(cc4)NNc5c(cc6cc(c(c(c6c5N)O)NNc7ccc(cc7)S(C)(O)O)S(O)(O)O)S(O)(O)O)(O)O)CC(C(C(COP(=O)(O)O)O)O)O	FD5	[5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CN1CCN(CC1)NCCN2c3ccccc3Sc4c2cc(cc4)Cl	FD6	n-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine
+[H]/N=C(/NCC)\NC(=O)Nc1c(cccc1CC)CC	FD7	n-(2,6-diethylphenyl)-n'-(n-ethylcarbamimidoyl)urea
+c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F)F)C(F)(F)F	FD8	n-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide
+Cc1c(c(on1)C)Cn2cc(c3c2ccc(c3)Oc4ccc(cc4)NC(=O)[C@@H]5CCCN5)C#N	FD9	(2s)-n-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
+Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FDA	dihydroflavine-adenine dinucleotide
+Cc1c[nH]c2c1C(=O)NC(=N2)N	FDB	2-amino-5-methyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+C1C([O@@H][Fe]234[O@H]C(C[C@@]56[OH]2[Fe]7([OH]3[C@]1(CC([O@@H]7)[O])C([O@@H]4)[O])([O@H]C(C5)[O])[O@H]C6[O])[O])[O]	FDC	iron(iii) dicitrate
+Cc1c(c2cc3[n+]4c(cc5c(c(c6n5[Fe@@+3]47n2c1cc8[n+]7c(c6)C(=C8C)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C	FDD	fe(iii) 2,4-dimethyl deuteroporphyrin ix
+Cc1cc2n3c1C=C4C=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C	FDE	fe(iii) deuteroporphyrin ix
+C/C(=C\CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/CCC=C(CF)CF	FDF	(2e,6e)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
+C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)F)O)OP(=O)(O)O	FDG	2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7,9-dihydro-1h-purine-6,8-dione
+CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(n2)N)Cl	FDH	5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
+CCC(CC)C(=O)Nc1cc(ccc1NC(=O)C)C(=O)O	FDI	4-(n-acetylamino)-3-[n-(2-ethylbutanoylamino)]benzoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O	FDJ	5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+C1=C([C@@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO	FDK	(1~{s},2~{s},3~{s},4~{s})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
+CC1=CC(=O)Oc2c1ccc(c2)NC(=O)[C@H](CCCCNC(=O)C)N	FDL	n~6~-acetyl-n-(4-methyl-2-oxo-2h-chromen-7-yl)-l-lysinamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)F	FDM	3'-fluoro-3'-deoxythymidine monophosphate
+C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3F)F	FDN	(5s)-3-anilino-5-(2,4-difluorophenyl)-5-methyl-1,3-oxazolidine-2,4-dione
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O	FDP	2,6-di-o-phosphono-beta-d-fructofuranose
+C([C@@H]1[C@H]([C@@H]([C@@H](O1)CP(=O)(O)O)O)O)OP(=O)(O)O	FDQ	2,5-anhydro-1-deoxy-1-phosphono-6-o-phosphono-d-glucitol
+CC1=Nc2c(c3c(s2)CCC3)C(=O)N1	FDR	2-methyl-3,5,6,7-tetrahydro-4h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
+c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C(=O)O	FDS	fluorescin
+Cn1cc(nn1)[C@@H]2C(=CNC(=CS2)C(=O)O)C=O	FDT	(7r)-6-formyl-7-(1-methyl-1h-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid
+C#CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F	FDU	1-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1h,3h)-dione
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H](C)P(=O)(O)O)O)O	FDV	5'-o-[(r)-hydroxy({(r)-hydroxy[(1s)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine
+CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(n2)N)N	FDW	3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O	FDY	5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2	FDZ	1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea
+[Fe+3]	FE	fe (iii) ion
+C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)O	FE0	(1s,2s,3r,4r)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
+CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC	FE1	methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)piperidine-4-carboxylate
+[Fe+2]	FE2	fe (ii) ion
+c1cc(c(cc1C(=O)O)Cl)CCN	FE3	4-(2-aminoethyl)-3-chlorobenzoic acid
+CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N	FE5	5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
+c1cc(c(cc1Br)F)Cn2c3c(cn2)c(nc(n3)N)Cl	FE6	1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine
+CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(\c3ccccc3)/Nc4ccc(cc4)CN5CCCCC5)/C(=O)N2	FE7	n-{(3z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1h-indol-5-yl}ethanesulfonamide
+[H]/N=C(/N)\NCCC[C@@H]1C(=O)N[C@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4ccccc4CO)C(=O)N	FE8	(10~{s},14~{r},17~{s})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide
+CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S	FE9	iron-guanylyl pyridinol cofactor
+[N-]=[N+]=N[Fe]O[Fe]	FEA	monoazido-mu-oxo-diiron
+CCCCCCCCC[C@H](CC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)CO)O	FEB	n~2~-[(3r)-3-hydroxydodecanoyl]-l-asparaginyl-n~1~-[(1s)-1-(hydroxymethyl)-3-methylbutyl]-l-glutamamide
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)CCC(=O)O)C)C(=C3C)CCC(=O)O	FEC	1,3,5,8-tetramethyl-porphine-2,4,6,7-tetrapropionic acid ferrous complex
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)O)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O	FED	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4ar)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate (non-preferred name)
+CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCC)O)O	FEE	n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyoctyl}tetracosanamide
+c1ccc2c(c1)/C(=C/3\C(=N\OCC[C@H](CO)O)\c4ccccc4N3)/C(=O)N2	FEF	(2z,3e)-2,3'-biindole-2',3(1h,1'h)-dione 3-{o-[(3r)-3,4-dihydroxybutyl]oxime}
+Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H](C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O	FEG	5'-o-[(s)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine
+c1ccc(cc1)[C@H](CO)O	FEH	(1r)-1-phenylethane-1,2-diol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]([C@H](C(C)C)O)C(=O)O)O	FEJ	(2s,3s)-3-hydroxy-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic  acid (non-preferred name)
+C1=C([C@@H]([C@@H]([C@H](C1O)F)O)O)CO	FEK	(1~{s},2~{s},3~{s})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol
+[OH2][Fe+3]([OH2])[OH2]	FEL	hydrated fe
+C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567891([CH]3=[CH]5[C@H]64)[CH]2=[CH]7C8[CH]9=[CH]12	FEM	n-(2-ferrocenylethyl)maleimide
+CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C(=O)Nc2ccc(cc2)O)\C)\C	FEN	n-(4-hydroxyphenyl)all-trans retinamide
+O([Fe])[Fe]	FEO	mu-oxo-diiron
+c1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O	FEP	[(4-{4-[4-(difluoro-phosphono-methyl)-phenyl]-butyl}-phenyl)-difluoro-methyl]-phosphonic acid
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2C=C([C@@H]([C@@H]([C@H]2F)O)O)CO	FEQ	(1~{s},2~{s},5~{s},6~{r})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol
+COc1cc(ccc1O)\C=C\C(=O)O	FER	3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid
+S1[Fe]S[Fe]1	FES	fe2/s2 (inorganic) cluster
+COc1cc(ccc1Cn2c3c(cn2)c(nc(n3)N)Cl)C(F)(F)F	FEU	4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
+CC/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	FEV	(2e)-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid
+CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C	FEW	3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide
+CN(C)c1ccc(cc1)c2ccc(cc2)CN(c3cccc(c3)CCC(=O)OC)C(=O)C4CCCCC4	FEX	methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}acrylate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4	FEY	(1r,2s)-2-{[n-({[(2r,4r)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C/C/1=C/CC[C@](/C=C\[C@@H]([C@H](C1)OC(=O)c2ccc(cc2)O)C(C)C)(C)O	FEZ	(1s,2s,3z,5s,8z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate
+c1ccc(cc1)CCCNC[C@H]([C@H](Cc2ccccc2)N)O	FF0	(2r,3s)-3-amino-4-phenyl-1-[(3-phenylpropyl)amino]butan-2-ol
+Cc1cccc(c1CCNC(=O)c2cc(ccc2F)[C@H]3C(=C(NC(=O)N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C	FF1	(4~{s})-4-[3-[2-(2,6-dimethylphenyl)ethylcarbamoyl]-4-fluoranyl-phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide
+c1cc2c(cc(s2)C(=O)NO)c(c1)Cl	FF2	4-chloranyl-~{n}-oxidanyl-1-benzothiophene-2-carboxamide
+c1(nnc(s1)N)C(F)(F)S(=O)(=O)N	FF3	1-(5-amino-1,3,4-thiadiazol-2-yl)-1,1-difluoromethanesulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@@H](F)P(=O)(O)O)O)O	FF4	2'-deoxy-5'-o-[(r)-{[(r)-[(s)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+CC(=O)NCCCCOc1ccc(cc1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N	FF5	~{n}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O	FF7	5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine
+CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)[C@H](C)C(=O)O	FF8	(2s)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid
+CC/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	FF9	(2s)-2-azanyl-6-[(e)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C	FFA	(10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one
+c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N	FFB	n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O	FFC	2-deoxy-2-fluoro-b-d-cellobioside
+c1cc(cc(c1)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	FFD	(1r)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-o-phosphono-d-erythro-pentitol
+O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O	FFE	[bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron
+CC(=CCC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C(F)(F)F)/C)C	FFF	trifluorofurnesyl diphosphate
+c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O	FFG	(r)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)OCCCCNC(=O)CCOCCOCCOCCOCCOCN	FFH	3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{n}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O	FFJ	2'-deoxy-5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)C	FFK	[(2~{r},3~{r},4~{r},5~{s},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [oxidanyl-[(2~{z},6~{z},10~{z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] hydrogen phosphate
+C[C@H]([C@H](O)P(=O)(O)O)SC[C@@H](C(=O)O)N	FFM	s-[(1r,2r)-2-hydroxy-1-methyl-2-phosphonoethyl]-l-cysteine
+CC1=Nc2c(c(cs2)c3ccc(cc3)F)C(=O)N1	FFN	5-(4-fluorophenyl)-2-methyl-3~{h}-thieno[2,3-d]pyrimidin-4-one
+c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N	FFO	n-[4-({[(6s)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+c1cc(c(c(c1)F)O)F	FFP	2,6-difluorophenol
+CC[C@H](O)P(=O)(O)O	FFQ	[(1r)-1-hydroxypropyl]phosphonic acid
+c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3=CCN(CC3)Cc4nc5ccc(nc5n4C[C@@H]6CCO6)C(=O)O	FFR	2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{h}-pyridin-1-yl]methyl]-3-[[(2~{s})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
+c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccco4	FFS	n~2~-(3-chlorophenyl)-n~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine
+CC(=CCC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)C	FFT	(2z,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate
+CC1(CCC(CC1)NC(=O)c2cc3c([nH]2)cc(cc3F)F)C	FFU	n-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1h-indole-2-carboxamide
+C[C@H](C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c4)Cl)F	FFV	n~2~-(3-chloro-4-fluorophenyl)-n~4~-[(1r)-1-cyclopropylethyl]quinazoline-2,4-diamine
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC4=NONC4=O	FFW	4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one
+C1([C@H]([C@@H](O[C@@H]([C@H]1O)F)F)O)O	FFX	(2r,3s,5r,6s)-2,6-difluorooxane-3,4,5-triol
+C[C@H](C1CC1)Nc2c3cccc(c3nc(n2)Nc4ccc(c(c4)Cl)F)C5=CCNCC5	FFY	n~2~-(3-chloro-4-fluorophenyl)-n~4~-[(1r)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC	FFZ	3-[5-[(4ar,8as)-4-oxidanylidene-3-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-n-(phenylmethyl)prop-2-ynamide
+c1cc2c(cc1CN3CCC4(CC3)c5ccsc5CCO4)OCCO2	FG0	1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
+c1cc(ccc1CCNC(=O)[C@H](CO)NC(=O)CCNC(=O)CBr)NC(=O)C(=O)O	FG1	n-[4-(2-{2-[3-(2-bromo-acetylamino)-propionylamino]-3-hydroxy-propionylamino}-ethyl)-phenyl]-oxalamic acid
+Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[nH]2)OC	FG2	5-methoxy-n-[(5-methylpyridin-2-yl)sulfonyl]-1h-indole-2-carboxamide
+Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	FG3	(5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3	FG4	{2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1h-indol-1-yl}acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)CNS(=O)(=O)c3cc4ccccc4o3	FG5	(2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1h-indol-1-yl)acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3cc4ccccc4o3	FG6	{2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1h-indol-1-yl}acetic acid
+CCOC(=O)c1cccc(c1)N	FG7	ethyl 3-aminobenzoate
+c1ccc(c(c1)/C=C/C(=O)NO)Sc2ccc(cc2)Cl	FG8	(~{e})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{n}-oxidanyl-prop-2-enamide
+c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N	FG9	~{n}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
+C(CC(=O)O)[C@H](C(=O)O)N	FGA	gamma-d-glutamic acid
+c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N	FGD	n-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-d-glutamic acid
+Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)N)C(=O)N=C3	FGE	~{n}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
+CN1CCN(C(=O)C1)Cc2cc3c(nc2C=O)N(CCC3)C(=O)Nc4cc(c(cn4)C#N)NCCOC	FGF	n-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)\F)/C)/C)/C)C	FGG	(2z,6e,10e)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate
+CC(C)Cc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C	FGH	2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5h-beta-carbolin-5-one
+CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC	FGJ	(2r)-3-hydroxypropane-1,2-diyl dihexanoate
+C(C(=O)O)(C(=O)O)N	FGL	2-aminopropanedioic acid
+CCCCCCCCCC[C@H]([C@@H](CCCCCC)C(=O)O)O	FGM	(2r,3r)-2-hexyl-3-hydroxytridecanoic acid
+c1ccc(c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl	FGN	(~{e})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{n}-oxidanyl-prop-2-enamide
+c1nc2c(n1[C@H]3[C@@H]4CC(C[C@@H]4[C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)CO)(O)O)N=C(NC2=O)N	FGO	[(1s,3r,3ar,6as)-3-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methyl [(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
+[C@H]([C@@H](O)OP(=O)(O)O)(C(=O)O)N	FGP	2-amino-3-hydroxy-3-phosphonooxy-propionic acid
+Cc1ccc(cc1)S(=O)(=O)c2cc(c(c3c2cccn3)O)F	FGQ	7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol
+C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O	FGR	n-(n-formylglycyl)-5-o-phosphono-beta-d-ribofuranosylamine
+CC(=O)N[C@@H](CO)[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O	FGS	5-(acetylamino)-5-deoxy-1-o-phosphono-l-iditol
+c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc4)O	FGT	3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
+CC(C)C[C@@H](C(=O)SCCNC(=O)C)N	FGU	s-(2-acetamidoethyl) (2s)-2-azanyl-4-methyl-pentanethioate
+C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)O)OP(=O)(O)O)O	FGV	(1r,2s,3r,4r,5s,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)]
+CC(C)n1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C	FGW	dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium
+[B-]12(CCc3c1cc(cc3)[C@@H](c4ccc(cc4)SCC(=O)C)O)O[C@H]5[C@@H](O[C@H]([C@@H]5O2)n6cnc7c6ncnc7N)CO[P+](O)(O)O	FGX	[(1~{r},5~{r},6~{s},8~{r})-8-(6-aminopurin-9-yl)-4'-[(~{r})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium
+C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c2ccc(cc2)C(=O)NO	FGY	n-(2,2-dimethylpropyl)-n~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-l-asparaginyl-n-benzyl-l-alaninamide
+c1c(cc(c(c1Cl)O)Cl)C(=O)O	FGZ	3,5-dichloro-4-hydroxybenzoic acid
+CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c5n(nc4c6cccnc6)CCOC5	FH0	~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{h}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C	FH1	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-l-prolinamide
+C1=C([C@@H]([C@@H]([C@H]([C@H]1O)F)O)O)CO	FH2	(1~{s},2~{s},3~{s},4~{s})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol
+Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@H](C4)CNC(=O)C	FH3	(s)-n-((1-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide
+CC(C)c1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C	FH4	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-l-prolinamide
+Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@@H](C4)NC(=O)C	FH5	(s)-n-(1-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide
+C(C[C@H](C(=O)O)N)CN(C=O)O	FH7	n^5^-formyl-n^5^-hydroxy-d-ornithine
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)O)C(=O)O	FH8	5-carboxy methylrhodamine
+CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(=O)O	FH9	(2s)-6-azanyl-2-[[(2r)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)([C@H](F)[P@](=O)(O)OP(=O)(O)O)O)O)N	FHA	2'-deoxy-5'-o-[(s)-{(s)-fluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
+c1cc(c(cc1C(=O)O)F)O	FHB	3-fluoro-4-hydroxybenzoic acid
+c1cc(ccc1\C=C(/C(=O)[O-])\F)O	FHC	2-fluoro-3-(4-hydroxyphenyl)-2e-propeneoate
+CCCCCOC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3(CC3)C)Oc4c(nc5ccc(cc5n4)OC)Cl)C(C)(C)C	FHD	3-methyl-n-[(pentyloxy)carbonyl]-l-valyl-(4r)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-l-prolinamide
+CC(=O)[C@@H](C1=N/C(=C\c2ccc(cc2)OCc3ccccc3[N+](=O)[O-])/C(=O)N1CC(=O)O)N	FHE	2-[(4~{z})-2-[(1~{r})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccccc1F	FHF	n-((2r,4s)-2-butyl-4-(3-(2-fluorophenyl)ureido)-5-methyl-3-oxohexyl)-n-hydroxyformamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](F)P(=O)(O)O)O)O)N=C(NC2=O)N	FHG	2'-deoxy-5'-o-[(r)-{[(r)-[(s)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O	FHH	methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate
+c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O	FHI	2',4'-difluoro-4-hydroxy-5-iodo-1,1'-biphenyl-3-carboxylic acid
+Cc1ccc(cc1)C[C@@H]([C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)OC)C(=O)OC)Nc4ccccc4	FHJ	dimethyl (1s,2s,3r,4r)-1-[(1s)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
+c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(=O)Nc4ccc(cc4)C(=O)O	FHK	4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid
+C(CC/N=C(\CCC(=O)O)/CO)C[C@@H](C(=O)O)N	FHL	(e)-n~6~-[3-carboxy-1-(hydroxymethyl)propylidene]-l-lysine
+C[C@](COc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O	FHM	s-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
+C([C@H]1[C@H](C([C@@H]([C@@H]([NH2+]1)CO)O)O)O)O	FHN	(2s,3r,5r,6s)-3,4,5-trihydroxy-2,6-bis(hydroxymethyl)piperidinium
+C(C[C@@H](C(=O)O)N)CN(C=O)O	FHO	n^5^-formyl-n^5^-hydroxy-l-ornithine
+CC(=CCC/C(=C/CC/C(=C/[C@H](O)P(=O)(O)O)/C)/C)C	FHP	1-hydroxy-3,7,11-trimethyldodeca-2,6,10-triene phosphonic acid
+c1cc(ccc1/C=N/NC(=O)Cc2n[nH]nn2)Br	FHQ	~{n}-[(~{e})-(4-bromophenyl)methylideneamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanamide
+c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O	FHR	~{n}-[(2~{s})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{h}-indole-2-carboxamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4	FHS	(1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+c1cc(ccc1C(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+])Br	FHT	[[(2~{r})-2-[(4-bromophenyl)carbonylamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
+C([C@@H]1[C@H]([C@H]([C@@H](O1)[C@@]2([C@H](NC(=O)NC2=O)O)F)O)O)OP(=O)(O)O	FHU	(5s,6r)-5-fluoro-6-hydroxy-pseudouridine-5'-monophosphate
+Cc1cccc(c1)NC(=O)N2CCCC2	FHV	n-(3-methylphenyl)pyrrolidine-1-carboxamide
+c1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN	FHW	(2~{r})-3-phenyl-2-(2~{h}-1,2,3,4-tetrazol-5-yl)propanehydrazide
+C[C@H]1CN([C@]12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N	FHX	3-[(3s,4r)-3-methyl-7-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@@H](O[C@H]3[C@H]2O[C@@](OC3)(C)C(=O)O)OC)NC(=O)C)CO)O)O	FHY	(2s,4ar,6r,7s,8r,8as)-7-(acetylamino)-6-({2-(acetylamino)-3-o-[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-4,6-o-[(1s)-1-carboxylic acidethylidene]-2-deoxy-beta-d-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]oxy}-2-methylhexahydro-2h-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid
+COc1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN	FHZ	(2~{r})-3-(4-methoxyphenyl)-2-(2~{h}-1,2,3,4-tetrazol-5-yl)propanehydrazide
+CC[C@H](C)CNC[C@H]([C@H](Cc1ccccc1)N)O	FI0	(2r,3s)-3-amino-1-{[(2s)-2-methylbutyl]amino}-4-phenylbutan-2-ol
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCCN(C3=O)CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5	FI1	6-chloro-n-((3s)-2-oxo-1-(2-oxo-2-((5s)-8-oxo-5,6-dihydro-1h-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2h,4h,8h)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide
+CCC(=O)Nc1ccc(cc1)CN(c2cc(ncn2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5c(c(cc(c5Cl)OC)OC)Cl	FI3	n-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide
+C[C@@H](CNc1c2c(n[nH]c2nc(n1)Oc3ccc(cc3F)F)c4ccccc4Cl)O	FI4	(2s)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol
+CCc1c(c(c(c(c1Cl)O)Cl)O)C(=O)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)OC)OC/C/3=C\C=C\C[C@@H](/C(=C/[C@@H]([C@H](/C(=C/C(=C/C[C@H](OC3=O)[C@@H](C)O)/C)/C)O[C@H]4[C@H]([C@H]([C@@H](C(O4)(C)C)OC(=O)C(C)C)O)O)CC)/C)O)C	FI8	fidaxomicin
+c1(c(c(c(c(c1F)F)I)F)F)F	FIB	1,2,3,4,5-pentafluoro-6-iodobenzene
+c1cc2c(cc1F)cc([nH]2)C(=O)O	FIC	5-fluoroindole-2-carboxylic acid
+c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3	FID	(2s,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione
+C1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)F	FIF	2,6-anhydro-5-deoxy-5-fluoro-l-idonic acid
+c1ccc(cc1)C(=O)CSC2=NC=C(C(=O)N2)C(=O)O	FIG	6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid
+Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)F	FIH	5-(4-fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid
+CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C	FII	[(3,7,11-trimethyl-dodeca-2,6,10-trienyloxycarbamoyl)-methyl]-phosphonic acid
+C[C@]1(CC(c2cc(c(cc2O1)O)Cl)(C)C)c3cc(c(cc3O)O)Cl	FIJ	4-chloranyl-6-[(2~{s})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{h}-chromen-2-yl]benzene-1,3-diol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)C(C)C	FIK	(1s,2s)-2-[(n-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C/C(=N\OC(=O)N)/c1ccc(c(c1)OC2CCCC2)OC	FIL	(1e)-1-[3-(cyclopentyloxy)-4-methoxyphenyl]ethanone o-(aminocarbonyl)oxime
+CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O	FIN	(1r)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid
+[H]/N=C(\CF)/NCCC[C@@H](C(=O)O)N	FIO	n~5~-[(1e)-2-fluoroethanimidoyl]-l-ornithine
+c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O	FIP	5-fluoroindole propanol phosphate
+CN1C(=O)C=C(NC1=O)C2CC2	FIQ	6-cyclopropyl-3-methyl-1h-pyrimidine-2,4-dione
+c1cc2c(cc1F)[C@@]3(C[C@@H](O2)C(=O)N)C(=O)NC(=O)N3	FIR	(2r,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione
+c1cc2c(cc1F)[C@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3	FIS	(2s,4r)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C	FIT	(4ar,4bs,6as,7s,9as,9bs,11ar)-n-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1h-indeno[5,4-f]quinoline-7-carboxamide
+c1ccc2cc(ccc2c1)C(=O)O	FIV	naphthalene-2-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)C(C)C	FIW	(1r,2s)-1-hydroxy-2-{[n-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C(=O)C(=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O	FIX	d-fructuronic acid
+Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CC[C@H](C5)O)nc(o4)N6CCOCC6	FJ0	2-(2-methylpyridin-4-yl)-n-[2-morpholin-4-yl-5-[(3r)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
+CC1(Cc2c(c(n[nH]2)C(F)(F)F)C(=O)C1)C	FJ1	6,6-dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4h-indazol-4-one
+CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	FJ2	n-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
+CC(C)c1cc(c(cc1O)O)c2cc(on2)N	FJ3	4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol
+COc1ccc(cc1)CC(=O)c2cc(c(cc2O)O)Cl	FJ4	1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
+CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3)c4ccc(cc4)CN5CCOCC5	FJ5	n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide
+CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3)c4ccc(cc4)OC	FJ6	n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
+COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[C@H]4c5c(c6ccccc6[nH]5)C[C@@H](N4)C(=O)O	FJ7	(1s,3r)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid
+Cc1ccc(cc1)/C=N/NC(=O)Cc2n[nH]nn2	FJ8	~{n}-[(~{e})-(4-methylphenyl)methylideneamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanamide
+c1cc(nc(c1)C(=O)Nc2ccc3c(c2)oc(n3)N4CCOCC4)c5ccncc5	FJ9	n-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide
+CC1C\2CCC(/C2=C/C3(C(CC(=C3C(C1O)O)C(C)C)O)C)COC	FJA	fusicoccin j aglycone
+c1ccc(cc1)CCCCC(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+]	FJB	[[(2~{r})-2-(5-phenylpentanoylamino)-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
+c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](Cc3cccc(c3)F)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O	FJC	~{n}-[(2~{s})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{h}-indole-2-carboxamide
+C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ncc(o4)c5ccc(s5)Cl	FJD	3-[(3as,4r,5s,8as,8br)-4-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
+c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F	FJE	[3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)methanone
+C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	FJF	5-[(2~{s},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{h}-pyrimidine-2,4-dione
+C[C@H](C(F)(F)F)NC(=O)c1cc(cc(c1)C2(CC2)C)c3c(nc(s3)C(=O)NC4CC(C4)C(=O)O)CC5CCCCC5	FJG	trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2r)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid
+Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)C)NC(=O)c4ccc5c(c4)OCCO5	FJH	~{n}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6	FJI	3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{n}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{h}-benzo[c][1]benzoxepine-9-carboxamide
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)/N=C/CCCc2ccccc2)O)O	FJJ	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-[(1e)-4-phenylbutylidene]-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)
+c1cc2c(c(c1)NC(=O)Nc3cc(ccn3)COCc4cn(nn4)CCNC5=C6C=CC=CC6=NC7C5CCCC7)[C@H]8CCCCN8C2=O	FJK	1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{r})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]urea
+C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)(C)C(=O)O	FJL	(2~{s},3~{s},4~{s},5~{r},6~{r})-6-[[(3~{s},4~{a}~{r},6~{a}~{r},6~{b}~{s},8~{a}~{s},11~{s},12~{a}~{r},14~{a}~{r},14~{b}~{s})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{h}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCCCc2ccccc2)O)O	FJM	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(8-phenyloctyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)
+C[NH+](Cc1ccnc(c1)NC(=O)Nc2cccc3c2[C@@H]4CCCCN4C3=O)Cc5cn(nn5)CCNC6=C7C=CC=CC7=NC8C6CCCC8	FJN	[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{s})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium
+C(CO)C(O)(O)O	FJO	propane-1,1,1,3-tetrol
+CC(=CCC/C(=C\CC/C(=C/COP(=O)(O)O)/C)/C)C	FJP	(2e,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate
+c1cc(c(cc1Cl)Cl)[C@H](Cn2ccnc2)OCc3ccsc3Cl	FJQ	tioconazole
+[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3ccc(cc3)C	FJR	2-azanylidene-n-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide
+COc1ccc(cc1)c2c(noc2NC(=O)C3CC3)c4cc(c(cc4O)O)c5cncc6c5cccc6	FJS	n-{3-[2,4-dihydroxy-5-(isoquinolin-4-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
+c1cc2c(cc1CNC(=O)c3nnc(o3)Cc4ccc(cc4Cl)F)OCO2	FJT	~{n}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
+[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3cccc(c3)CC	FJU	2-azanylidene-n-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide
+C1CCc2c(c3c4c(c(nnn4)N5CCNCC5)sc3nc2N6CCOCC6)C1	FJV	4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine
+c1c(c(cc2c1OCO2)Br)Cn3c4c(c(nc(n4)N)Cl)nc3O	FJX	2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol
+Cc1c(c2ccc(cc2nc1c3cccnc3)F)N4CC(c5c4cc(cc5)N6CCOCC6)(C)C	FJY	4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1h-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline
+c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3	FJZ	n-cyclohexyl-4-(1h-imidazol-5-yl)piperidine-1-carbothioamide
+c1cc(c(cc1Br)F)Cn2c3c(c(nc(n3)N)Cl)nc2O	FK0	2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol
+c1cc(cc2c1cc[nH]2)Br	FK1	6-bromo-1h-indole
+C(C=O)C(=O)O	FK2	3-oxidanylidenepropanoic acid
+CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C=O	FK3	(3~{s},3~{a}~{s},6~{a}~{r})-~{n}-[(2~{r},3~{s})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{h}-cyclopenta[c]pyrrole-3-carboxamide
+CC(C)(COP(=O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccc[nH]1)O	FK4	s-[2-({n-[(2r)-2-hydroxy-4-{[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] 1h-pyrrole-2-carbothioate
+C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](\C=C(\C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC	FK5	8-deethyl-8-[but-3-enyl]-ascomycin
+c1ccc(cc1)COC(=O)N	FK8	(phenylmethyl) carbamate
+CCCSCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	FK9	3-(propylsulfanyl)propyl alpha-d-mannopyranoside
+C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](\C=C(\C1)/C)CCOC(=O)NCc4ccccc4)O)C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C)O)C)OC)OC	FKA	benzyl-carbamic acid [8-deethyl-ascomycin-8-yl]ethyl ester
+C1CCC(CC1)Nc2nc(n3c(n2)nc(n3)C[C@H](C#N)C(=O)N)N	FKB	(2~{r})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C	FKC	(4r)-4-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
+C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(=O)O)O)F)O)O)O)O)O	FKD	3-deoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid
+c1ccc(cc1)C2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N	FKE	4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)CC(C)(C)O)C)C	FKF	(4r)-4-[(3s,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
+CC1=Nc2c(c(nn2[C@@H](C)c3ccc(cc3)C(F)(F)F)CO)C(=O)N1	FKG	3-(hydroxymethyl)-6-methyl-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+Cc1cccc(c1)CN2C(=C(C(=O)NC2=O)N(C)S(=O)(=O)c3ccccc3)N	FKH	n-(6-amino-1-(3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+C([C@@H](C(=O)C(=O)O)N)C(F)F	FKI	5,5-di-fluoro-2-keto-3-aminopentanoic acid
+C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CO)C(=O)NC(=O)N3	FKJ	3-(hydroxymethyl)-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
+c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)F	FKK	4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
+Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)NC4CCOCC4)C(=O)NC5CC5	FKL	n-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2h-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide
+C[C@H](c1cccc(c1)OC2CCCC2)NS(=O)(=O)CCCOCN3C=CC(=O)NC3=O	FKM	n-[(1r)-1-[3-(cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)methoxy]-1-propanesulfonamide
+CS(=O)(=O)c1ccc(c(c1)c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F)Cl	FKN	3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1h-pyrazolo[3,4-d]pyrimidine
+c1ccc(c(c1)c2c3ccc(cc3n[nH]2)Oc4ccccc4F)Cl	FKO	3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2h-indazole
+CC1(CC[C@@H]([C@]2([C@H]1[C@@H]([C@@H]([C@@]3([C@@]2(C(=O)C[C@](O3)(C)C=C)O)C)OC(=O)CCCCN4CCN(CC4)C)O)C)O)C	FKP	methylpiperazinoforskolin
+c1ccc(cc1)C2(CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)O	FKQ	4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide
+CNc1cc(cc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O)F	FKR	4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid
+C(CCC(C(F)(F)F)(O)O)CCNCCCN	FKS	7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol
+CNc1cc(cc2c1NC(=O)C(=C2NCCCN)C(=O)Nc3ccc(cc3)C(=O)O)F	FKU	4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid
+C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CC(F)(F)F)C(=O)NC(=O)N3	FKV	3-(2,2,2-trifluoroethyl)-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
+c1ccc2c(c1)c(c[nH]2)CC(=O)N/N=C/c3ccc(c(c3)O)[N+](=O)[O-]	FKW	2-(1~{h}-indol-3-yl)-~{n}-[(~{e})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide
+Cn1cc(nc1)c2cc(c(nc2)O[C@H]3CCN(C[C@H]3F)C(=O)Cc4ccc(cc4)OC(F)(F)F)C(=O)N	FKY	2-{[(3r,4s)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1h-imidazol-4-yl)pyridine-3-carboxamide
+CCCCCCCCN	FKZ	octan-1-amine
+c1ccc(cc1)C(=O)CBr	FL0	2-bromanyl-1-phenyl-ethanone
+c1cc(ccc1CCNC(=S)Nc2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O)S(=O)(=O)N	FL1	5-{[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonothioyl]amino}-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid
+C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)OC	FL2	flurbiprofen methyl ester
+CC(=O)c1ccc2ccccc2c1	FL3	1-naphthalen-2-ylethanone
+Cc1ccccc1c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F	FL4	6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidine
+CCn1c-2c(nn1)-c3ccc(cc3-c4c(nnn4CC)-c5c2cc(cc5)N(C)C)[N+](C)(C)C	FL5	12-(dimethylamino)-3,10-diethyl-n,n,n-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium
+COC(=O)C[C@@H](C(=O)O)N	FL6	(2s)-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid
+CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl	FL7	flurazepam
+CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br	FL8	6,4'-dihydroxy-3-methyl-3',5'-dibromoflavone
+c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O	FL9	3',5'-dibromo-2',4,4',6'-tetrahydroxy aurone
+[C@H](C(=O)O)(C(F)(F)F)N	FLA	trifluoroalanine
+CCOCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F	FLB	1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene
+C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O	FLC	citrate anion
+COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CC[NH2+]CCCCCC[NH2+]CC[n+]5ccc6ccc7c(c6c5)c8cc(ccc8[nH]7)OC	FLD	bis-(n-ethylpyridinium-(3-methoxycarbazole))hexane-1,6-diamine
+CC(C)C[C@@H](C(=O)O)NC(=O)c1ccco1	FLE	furoyl-leucine
+c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F	FLF	2-[[3-(trifluoromethyl)phenyl]amino] benzoic acid
+CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O	FLG	fluoresceinylthioureido
+C=O	FLH	formaldehyde
+CCCCCC[C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C/C=C/C=C/C=C/C=C/C[C@H](OC1=O)C)/C)O)O)O)O)O)O)O	FLI	(3r,4s,6s,8s,10r,12r,14r,16s,17e,19e,21e,23e,25e,28r)-3-hexyl-4,6,8,10,12,14,16-heptahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one
+Cc1cn2c(cnc2c(n1)Nc3ccc(cc3F)C(=O)N4CCOCC4)c5c[nH]nc5	FLJ	(3-fluoro-4-{[6-methyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone
+C1C[NH+]=C(N1)NNC(=O)CCCl	FLK	3-chloranyl-~{n}'-(4,5-dihydro-1~{h}-imidazol-3-ium-2-yl)propanehydrazide
+c1ccc(cc1)N2Cc3cccc[n+]3[Ru]24(n5cc(cc6c5c7[n+]4c8ccc(cc8c7c9c6C(=O)NC9=O)O)F)(C#O)Cl	FLL	octahedral ru-pyridocarbazole
+Cc1c(cccc1F)N	FLM	3-fluoro-2-methyl-aniline
+c1ccc(cc1)C2=CC(=O)c3ccccc3O2	FLN	2-phenyl-4h-chromen-4-one
+[F-]	FLO	fluoro group
+C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O	FLP	flurbiprofen
+CC(=O)NCCCCCCNC(=O)c1ccc2c(c1)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O	FLQ	n-[6-(acetylamino)hexyl]-3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-6-carboxamide
+C[C@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O	FLR	(2r)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid
+C[C@H](CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C	FLS	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1r)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+c1cc(ccc1C[C@@H](C(=O)O)N)OC(C(=O)O)(C(=O)O)F	FLT	fluoromalonyl tyrosine
+c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O	FLU	2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-benzoic acid
+c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O	FLV	flaviolin
+CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F	FLW	6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)P(=O)(O)O)NC(=O)c3ccco3	FLX	n-[(furan-2-yl)carbonyl]-(s)-leucyl-(r)-[1-amino-2(1h-indol-3-yl)ethyl]-phosphonic acid
+CC(C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C	FLY	6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8h)-one
+CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccccc4	FLZ	8-methyl-6-phenoxy-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O	FM0	(3r)-3-(fluoromethyl)-3-hydroxy-5-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid
+CNc1c2c(c(n[nH]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)ncn1	FM1	2-hydroxymethyl-5-(7-methylamino-3h-pyrazolo[4,3-d]pyrimidin-3-yl)-tetrahydro-furan-3,4-diol
+C[n+]1cnc2c(c1N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	FM2	2-(7-amino-6-methyl-3h-pyrazolo[4,3-d]pyrimidin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+C[C@H]1[C@H](O1)[P@@](=O)(O)OP(=O)(O)O	FM4	[(2r,3s)-3-methyloxiran-2-yl]-phosphonooxy-phosphinic acid
+CC(=O)N(CC[C@@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O	FM5	3-(n-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid
+c1ccc(cc1)C(=O)N(CC[C@@H](c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O	FM6	[(1s)-1-(3,4-dichlorophenyl)-3-[oxidanyl(phenylcarbonyl)amino]propyl]phosphonic acid
+c1ccc(c(c1)C(=O)N(CC[C@@H](c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O)Nc3cccc(c3)C(F)(F)F	FM7	[(1s)-1-(3,4-dichlorophenyl)-3-[oxidanyl-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonyl-amino]propyl]phosphonic acid
+c1ccc(c(c1)Cn2cncn2)C(=O)N(CC[C@@H](c3ccc(c(c3)Cl)Cl)P(=O)(O)O)O	FM8	[(1s)-1-(3,4-dichlorophenyl)-3-{hydroxy[2-(1h-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid
+CC(C)Nc1cc(ncn1)c2csc(n2)N(C)C(=O)c3ccc(cc3)F	FM9	4-fluoro-n-methyl-n-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide
+CCCCCCCCCCC[C@H](CC(=O)O)c1c(c(cc2c1N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C)C	FMA	6-(3-tetradecanoic acid) flavine mononucleotide
+C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	FMB	formycin b
+c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	FMC	(1s)-1-(7-amino-1h-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-d-ribitol
+C[C@H]([C@@H]([C@@H](C#Cc1c(ccc2c1/C(=C/c3c(cc[nH]3)OC)/C(=O)N2)F)O)N)O	FMD	4-((3r,4s,5r)-4-amino-3,5-dihydroxy-hex-1-ynyl)-5-fluoro-3-[1-(3-methoxy-1h-pyrrol-2-yl)-meth-(z)-ylidene]-1,3-dihydro-indol-2-one
+CSCC[C@@H](C(=O)O)NC=O	FME	n-formylmethionine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)F)F)O)O)O	FMF	2-deoxy-2-fluoro-beta-d-mannopyranosyl fluoride
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F	FMG	2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7-methyl-6-oxo-6,9-dihydro-1h-purin-7-ium
+c1cc(ccc1c2ncc([se]2)CCl)S(=O)(=O)N	FMH	4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide
+CCC1=C(c2cc3[n+]4c(cc5c(c(c6n5[Fe@@]47[n+]2c1cc8n7c(c6)c(c8C)CCC(=O)O)CCC(=O)O)C)[C@@](C3=O)(C)CC)C	FMI	fe-(4-mesoporphyrinone)-r-isomer
+Cc1c(c(no1)c2ccccc2)c3ccnc(n3)N	FMJ	4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
+C[C@@H](Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C	FMK	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1s)-1-methyl-2-(2h-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+C[C@@H](CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F	FML	6-(2,4-difluorophenoxy)-n-[(1s)-1-methyl-2-(methylsulfonyl)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-3-amine
+CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	FMM	n-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	FMN	flavin mononucleotide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H](C([C@H]2O)(F)F)F)CO)O)O)O)O	FMO	2-deoxy-2,2-difluoro-4-o-alpha-d-glucopyranosyl-alpha-d-arabino-hexopyranosyl fluoride
+c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	FMP	formycin-5'-monophosphate
+Cc1c(cnn1c2ccc(cc2)F)CO	FMQ	[1-(4-fluorophenyl)-5-methyl-1h-pyrazol-4-yl]methanol
+C(=C/C(=O)[O-])\C(=O)[O-]	FMR	fumarate
+C(F)(F)(F)S(=O)(=O)N	FMS	trifluoromethane sulfonamide
+C(=O)O	FMT	formic acid
+C[C@@]1(CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F	FMU	5-fluoro-5-methyluridine-5'-monophosphate
+C[C@H](c1ccc(o1)C(C)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C	FMV	(1s,3r,5z,7e,14beta,17alpha,20s)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol
+CCOc1cc(ccc1Nc2ncc3cc(nc(c3n2)NCC(C)(C)C)C)c4nncn4C	FMW	~{n}8-(2,2-dimethylpropyl)-~{n}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine
+C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3)Oc4ccccc4	FMX	famoxadone
+c1cc(ccc1/N=C\2/NC=CC(=N2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6	FMY	n-[(2z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1h)-ylidene]-4-(3-morpholin-4-yl-1h-1,2,4-triazol-1-yl)aniline
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NN3CCNC3=O)C(=O)O)C	FMZ	(2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-({(2r)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenylacetyl}amino)ethyl]-1,3-thiazolidine-4-carboxylic acid
+CC(C)(C)c1cc2c(c(c1)C(C)(C)C)OC(=O)[C@@]2(C(F)(F)F)O	FN0	(3s)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one
+CN1CCC[C@H]1c2cc(cnc2)F	FN1	5-fluoronicotine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4	FN2	(1s,2s)-1-hydroxy-2-[(n-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+B([C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O	FN3	[(1s)-3-methyl-1-[[(2s)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O	FN5	cmp-3f(a)-neu5ac
+c1c(nc[nH]1)C[C@H](C(=O)O)NCC[C@@H](C(=O)O)N	FN6	(2s)-2-azanyl-4-[[(2r)-3-(1h-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
+Cc1cc(nc(c1C(=O)O)C)C	FN7	2,4,6-trimethylpyridine-3-carboxylic acid
+CCC(=O)N(CCC[C@@H]([C@@H](O)OCC/C(=C\C(=O)N(C)O)/C)NC(=O)C)O	FN8	(~{z})-5-[(1~{s},2~{s})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{n},3-dimethyl-~{n}-oxidanyl-pent-2-enamide
+Cn1ccc2c1C(=O)N(C(=N2)N[C@@H]3C[C@@H](CN(C3)C)c4ccccc4)C	FN9	3,5-dimethyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one
+c1ccc(cc1)Nc2cccc3c2cccc3	FNA	n-phenylnaphthalen-1-amine
+C[C@H]([C@@H](c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)n4nccn4)Cl)OC)OC	FNB	1-[2-chloranyl-7-[(1~{r},2~{r})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea
+CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccccc4	FNC	3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5h-pyrrolo[3,2-d]pyrimidin-4-one
+CC[C@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C	FND	11-[(2s)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+C(#O)[Fe]1(S[Ni]1)(C#O)C#O	FNE	(mu-sulphido)-bis(mu-cys,s)-[tricarbonyliron-di-(cys,s)nickel(ii)](fe-ni)
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O	FNF	(2r,3r,4s,5r,6r)-4-(formylamino)-3,5-dihydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)N	FNG	5-aminocarbonyl-3-nitrophenyl alpha-d-galactopyranoside
+CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@H](c1ccccc1)C(=O)O)NC(=O)[C@@H]2Cc3cccc(c3)CCCCCCCC(=O)N[C@H](C(=O)N2)C4CCCCC4	FNH	(2r)-({n-[(3s)-3-({[(3s,6s)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)acetic acid
+c1cc2cc(ccc2c(c1)O)Nc3c4ccncc4oc3C(=O)Nc5ccncn5	FNI	3-[(5-hydroxynaphthalen-2-yl)amino]-n-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide
+CC[C@@H](c1ccc(cc1)O)[C@H](c2ccccc2)c3ccc(cc3)O	FNJ	4,4'-[(1r,2r)-1-phenylbutane-1,2-diyl]diphenol
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(C)C	FNK	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[7,8-dimethyl-5-(3-methylbutanoyl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+C[C@@]1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccccc3	FNM	(5s)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4h-imidazol-4-one
+c1cc(c(cc1O)F)[N+](=O)[O-]	FNN	3-fluoro-4-nitrophenol
+CC(=CC[C@H](C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C	FNO	2-[(1r)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione
+c1cc(cc2c1ccc(c2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O	FNP	{[7-(difluoro-phosphono-methyl)-naphthalen-2-yl]-difluoro-methyl}-phosphonic acid
+c1cc(cnc1)c2ccc(cc2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6	FNQ	8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	FNR	1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2h-benzo[g]pteridin-1-id-10(5h)-yl)-5-o-phosphonato-d-ribitol
+Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)S(=O)(=O)[O-]	FNS	n-sulfo-flavin mononucleotide
+C[C@@H](C(=O)O)NC(=O)c1c(c2ccccc2c(n1)Cl)O	FNT	(2s)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=O)F)N)O)O)OP(=O)(O)O	FNU	6-amino-5-fluorouridine 5'-(dihydrogen phosphate)
+Cc1c(ccc2c1cc(n2C[C@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F	FNV	4-methyl-1-{[(2r)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)C3N2C=O)N	FNX	(4as,6s)-2-amino-6-{(e)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4ah)-carbaldehyde
+C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@]2([C@@H]([C@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO)O)O)O)O	FNY	1-fructofuranosyl-d-nystose
+c1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cncn3)O)F	FNZ	4-[(1s,2r)-3-(4-fluorophenyl)-2-hydroxy-1-(1h-1,2,4-triazol-1-yl)propyl]benzonitrile
+CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)N[C@@H](C)c4cccnc4)C2=O	FO0	6-azanyl-11-methyl-2-oxidanylidene-n-[(1s)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
+c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	FO1	1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-d-ribitol
+CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4	FO2	8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	FO4	sphingomyelin 
+c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N	FO5	3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile
+c1cc(c(c(c1Oc2cc(cc(c2)Cl)F)Br)CO)S(=O)(=O)C(F)F	FO7	{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol
+c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6	FO8	8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C1C(=NC(=S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N	FO9	famotidine
+c1cc(oc1)C(=O)O	FOA	2-furoic acid
+CC(=O)N(CC[C@H](c1ccncc1)P(=O)(O)O)O	FOB	[(1r)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid
+C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O	FOC	fucitol
+c1c(nnn1C2CCC(CC2)O)CC[C@@H](C(=O)O)N	FOD	(2s)-2-amino-4-[1-(trans-4-hydroxycyclohexyl)-1h-1,2,3-triazol-4-yl]butanoic acid
+CC(C)N(c1ccc(cc1)F)C(=O)CSC[C@@H](C(=O)O)N	FOE	2-(2-amino-3-oxo-propylsulfanyl)-n-(4-fluoro-phenyl)-n-isopropyl-acetamide
+CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C	FOF	(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
+c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N	FOG	(4s,5s)-5-amino-4-hydroxy-6-phenylhexanoic acid
+CC(=CCC/C(=C\CC/C(=C\CO)/C)/C)C	FOH	(2z,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
+COC(=O)c1c(c2ccncc2o1)NC3C=CC4=C(C=CC4=C3)NO	FOI	methyl 3-{[(5s)-1-(hydroxyamino)-5h-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate
+c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)[C@H](C(S2(=O)=O)(F)F)O	FOJ	3-{[(3r)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1h-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile
+CC(=O)O[C@H]1[C@H]([C@H]2C(CC[C@@H]([C@@]2([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O)(C)C)O	FOK	forskolin
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N	FOL	folic acid
+C(CN(C=O)O)CP(=O)(O)O	FOM	3-[formyl(hydroxy)amino]propylphosphonic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N	FON	n-{[4-({[(6r)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-l-glutamic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C(=N)C(=O)O)O	FOO	(3e)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-iminobut-3-enoic acid
+C[C@H](C[NH3+])O	FOP	2-hydroxy-propyl-ammonium
+CC(=O)N(CC[C@@H](c1ccncc1)P(=O)(O)O)O	FOQ	[(1s)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid
+C=O	FOR	formyl group
+c1ccc(cc1)COC(=O)NCP(=O)(O)O	FOS	[[n-(benzyloxycarbonyl)amino]methyl]phosphate
+C1(=C(NC(=O)NC1=O)C(=O)O)F	FOT	5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+[C@H]1(C([C@H](NC(=O)N1)O)F)O	FOU	(5s,6r)-5-fluoro-6-hydroxydihydropyrimidine-2,4(1h,3h)-dione
+c1cc(c(cc1S(=O)(=O)C(F)(F)F)N(=O)=O)Nc2cc(cc(c2)Cl)F	FOV	n-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline
+c1ccc2c(c1)CCC23CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6	FOW	8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC2=C(C(=O)N=C(N2)N)NC=O	FOX	((1r,2s,4r)-4-{[2-amino-5-(formylamino)-6-oxo-3,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl)methyl 5'-phosphate
+Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3	FOY	1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1h)-one
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N	FOZ	n-[4-({[(6s)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+CC1=C[C@@H]2[C@](CC1)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO	FP0	(3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate
+CN\1C=CC=C/C1=C/NO	FP1	n-hydroxy-1-(1-methylpyridin-2(1h)-ylidene)methanamine
+c1ccc(c(c1)O)F	FP2	2-fluorophenol
+c1cnc(nc1)c2c(c3ccncc3o2)Nc4ccc(c(c4)O)Cl	FP3	2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol
+c1cc2c(c(c1)Nc3c4ccncc4oc3c5ncccn5)c(n[nH]2)CCCO	FP4	3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1h-indazol-3-yl)propan-1-ol
+B(CNC(=O)Cc1ccccc1)(O)O	FP5	phenylacetamidomethyl boronic acid
+C1CCN(C1)C=O	FP6	pyrrolidine-1-carbaldehyde
+Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)[C@@H](C)O	FP7	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1r)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1h)-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4	FP8	(1r,2s)-1-hydroxy-2-[(n-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C1[C@H](CN[C@@H]1C(=O)O)F	FP9	(4r)-4-fluoro-l-proline
+C(=O)(C(F)(F)Br)O	FPA	bromo(difluoro)acetic acid
+c1ccc(cc1)C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H](Cc3ccccc3F)N	FPB	n-({(2s)-1-[(3r)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl}methyl)benzamide
+C([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O	FPC	d-fructose-6-phosphate (open form)
+C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@]([C@@H](CCO1)CSc3cccc(c3)C=O)(C(=O)N2)O)O)O	FPD	5a-(3-formylphenylsulfanyl)-dihydrobicyclomycin
+C([C@@H](C(=O)O)OP(=O)(O)O)F	FPE	3-fluoro-2-(phosphonooxy)propanoic acid
+CC(=CCC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)\F)/C)/C)C	FPF	(2z,6e)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
+CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O	FPG	(1s)-1-[(1r)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate
+c1cc2c(c(c(n2O)c3ccncc3)c4ccc(cc4)F)nc1	FPH	3-(4-fluorophenyl)-2-pyridin-4-yl-1h-pyrrolo[3,2-b]pyridin-1-ol
+C1CCN(CC1)C=O	FPI	n-formylpiperidine
+CCC(=O)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	FPJ	5'-o-[(r)-hydroxy(propanoylamino)phosphoryl]adenosine
+C1C[C@H](N(C1)C=O)C(=O)O	FPK	1-formyl-l-proline
+c1ccc(cc1)Oc2ccc(cc2O)F	FPL	5-fluoro-2-phenoxyphenol
+C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O	FPM	(5r,6s)-6-(1-hydroxyethyl)-7-oxo-3-[(2r)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
+c1cc(ccc1O)F	FPN	4-fluorophenol
+[O-]P(=O)([O-])F	FPO	fluoro-phosphite ion
+CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C	FPP	farnesyl diphosphate
+CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C	FPQ	(2r)-3-(phosphonooxy)-2-{[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid
+c1ccc(cc1)CCCC(=O)[C@H](CC(=O)O)N	FPR	(3s)-3-amino-4-oxo-7-phenylheptanoic acid
+CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C	FPS	s-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl] trihydrogen thiodiphosphate
+CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C#N	FPT	n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-nitrilomethyl-pyridyl]-thiourea
+COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)N[C@@H]4C[C@H]4c5ccccc5	FPU	1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1r,2s)-2-phenylcyclopropyl]urea
+COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)C4=CC=CN(C4=O)Cc5ccccc5	FPW	1-benzyl-n-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide
+Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)Nc4ccccc4)NC(=O)c5cccc(c5)C(F)(F)F	FPX	n-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide
+C1=C([C@@H](NC(=O)N1)O)F	FPY	(4s)-5-fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1h)-one
+c1ccc(cc1)P(c2ccccc2)c3ccccc3	FPZ	triphenylphosphane
+CC(=CCC/C(=C/CC/C(=C/COC(CO)CO)/C)/C)C	FQ0	2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	FQ1	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	FQ4	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
+c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5	FQ5	8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1ccc(c(c1)C(=O)O)Nc2cc(cc(c2)Cl)Cl	FQ7	2-[(3,5-dichlorophenyl)amino]benzoic acid
+C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O	FQ8	[(2~{r},3~{s},4~{s})-2,3,4,5-tetrakis(oxidanyl)pentyl] [(2~{r},3~{r},4~{s})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentoxy]phosphoryl]oxy-pentyl] hydrogen phosphate
+c1ccc(cc1)CNCCCC[C@@H](C(=O)O)N	FQA	n~6~-benzyl-l-lysine
+CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5	FQB	8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1cc2c(cc1F)C(=O)N(C(=N2)n3cncn3)c4ccc(cc4Cl)Cl	FQC	3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one
+c1cc(ccc1c2csc3c2C(=O)NC=N3)F	FQD	5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3h)-one
+CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5	FQE	8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CC(=CCC/C(=C/CC/C(=C/COC[C@@H](CO)O)/C)/C)C	FQF	(2r)-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
+CC(C)(CNC(=O)c1cc(n(n1)c2ccccc2)NC(=O)c3cc(c(cc3Cl)Cl)c4ccccn4)O	FQG	5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-n-(2-hydroxy-2-methylpropyl)-1-phenyl-1h-pyrazole-3-carboxamide
+c1cc(cc(c1)C(F)(F)F)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5	FQH	8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1cc(sc1C(=O)N)Cl	FQI	5-chloro-2-thiophenecarboxamide
+Cc1cc(n(n1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl	FQJ	2,4-dichloro-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)benzamide
+c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)CC5CCC5	FQK	8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)NC)O	FQL	(2s,3r)-n-[(e)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide
+c1ccc(cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c4cccc(n4)N	FQM	5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1h-pyrazole-3-carboxamide
+c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)C5CCCC5	FQN	8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1c(c(nc(n1)C(F)(F)F)N)CO[P@](=O)(O)OP(=O)(O)O	FQP	4-amino-2-trifluoromethyl-5-hydroxymethylpyrimidine pyrophosphate
+CC1(CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4)c5cccc(c5)Cl	FQQ	8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C[C@H]([C@@H](C(=O)OC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O	FQR	[(e)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2s,3r)-2-azanyl-3-oxidanyl-butanoate
+CCCCCC(=O)OC[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2CC=C(NC2=O)N)O)O)OC(=O)CCCCC	FQT	[(2~{s})-3-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate
+C[C@H]([C@@H](C(=O)OCCCCCN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O	FQU	5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{s},3~{r})-2-azanyl-3-oxidanyl-butanoate
+CC#CC[Se]c1ccc(cc1)S(=O)(=O)N	FQV	4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide
+c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N	FQW	2-amino-5-phenethyl-6-phenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-]	FQX	[1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5h,8h)-dione 1-oxide
+c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2	FQY	4-(cyclohexylselanyl)benzene-1-sulfonamide
+C[C@H]1C[C@H](C[C@H]([C@@H]1O)O)C(=O)O	FQZ	(1~{r},3~{s},4~{r},5~{r})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid
+c1ccc2c(c1)[nH]c(n2)NCc3ccc(s3)c4csc(n4)N=C(N)N	FR0	n''-(4-(5-((1h-benzimidazol-2-ylamino)methyl)-2-thienyl)-1,3-thiazol-2-yl)guanidine
+CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)NCC(=O)O	FR1	2-[4-[[(s)-1-[[(s)-2-[[(rs)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl]pyrrolidin-1-yl-]carbonyl]-2-methylpropyl]aminocarbonyl]benzoylamino]acetic acid
+c1ccc(cc1)CC[C@H](CO)n2cc(nc2)C(=O)N	FR2	1-((1r)-1-(hydroxymethyl)-3-phenylpropyl)-1h-imidazole-4-carboxamide
+c1ccc2c(c1)cccc2CC[C@H](CO)n3cc(nc3)C(=O)N	FR3	1-((1r)-1-(hydroxymethyl)-3-(1-naphthyl)propyl)-1h-imidazole-4-carboxamide
+c1ccc(cc1)CCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N	FR4	1-((1r)-1-(hydroxymethyl)-3-{6-[(3-phenylpropanoyl)amino]-1h-indol-1-yl}propyl)-1h-imidazole-4-carboxamide
+Cn1c2ccccc2nc1CCC(=O)Nc3ccc4ccn(c4c3)CC[C@H](CO)n5cc(nc5)C(=O)N	FR5	1-((1r)-1-(hydroxymethyl)-3-(6-((3-(1-methyl-1h-benzimidazol-2-yl)propanoyl)amino)-1h-indol-1-yl)propyl)-1h-imidazole-4-carboxamide
+C[C@@H]([C@@H](CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O	FR6	1-{(1r,2s)-2-hydroxy-1-[2-(1-naphthyl)ethyl]propyl}-1h-imidazole-4-carboxamide
+C[C@@H]([C@@H](CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O	FR7	1-{(1r,2s)-1-[2-(2,3,-dichlorophenyl)ethyl]-2-hydroxypropyl}-1h-imidazole-4-carboxamide
+c1ccc(cc1)CCCCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N	FR8	1-((1r)-1-(hydroxymethyl)-3-{6-[(5-phenylpentanoyl)amino]-1h-indol-1-yl}propyl)-1h-imidazole-4-carboxamide
+c1ccc(cc1)CNC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N	FR9	1-[(1r)-3-(6-{[(benzylamino)carbonyl]amino}-1h-indol-1-yl)-1-(hydroxymethyl)propyl]-1h-imidazole-4-carboxamide
+CC(=O)Nc1ccc(cc1)N2C(=O)[C@@H]3C4CCC([C@@H]3C2=O)(CC4)NC(=O)OCC(=O)O	FRA	[4-(4-acetylamino-phenyl)-3,5-dioxo-4-aza-tricyclo[5.2.2.0 2,6]undec-1-ylcarbamoyloxy]-acetic acid
+c1cc(c(c(c1)Cl)Cl)c2cc([nH]n2)C3CCN(CC3)C(=O)CNC(=O)[C@@H](C4CCCCC4)NC(=N)N	FRB	2-cyclohexyl-n-(2-{4-[5-(2,3-dichloro-phenyl)-2h-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide
+C[C@@H]([C@@H](CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O	FRC	1-{(1r,2s)-2-hydroxy-1-[2-(2-naphthyloxy)ethyl]propyl}-1h-imidazone-4-carboxamide
+C[C@H](Cc1ccccc1)N	FRD	1-phenyl-2-aminopropane
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)\C=C\c4cc(c(c(c4)OC)O)O)O	FRE	feruloyl coenzyme a
+c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)N	FRF	phe-reduced-phe
+[H]/N=C(/N)\N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)C#Cc3ccccc3)C(=O)OC	FRG	2-[3-methyl-4-(n-methyl-guanidino)-butyrylamino]-3-(4-phenylethynyl-phenyl)-propionic acid methyl ester
+[H]/N=C(\N)/N[C@H](CC(C)C)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(o4)C(=O)O	FRH	5-[2,3-dichloro-4-(5-{1-[2-(2-guanidino-4-methyl-pentanoylamino)-acetyl]-piperidin-4-yl}-1-methyl-1h-pyrazol-3-yl)-phenoxymethyl]-furan-2-carboxylic acid
+CC(C)C[C@H](C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C)NC(=N)N	FRI	2-guanidino-4-methyl-pentanoic acid [2-(4-{5-[4-(4-acetylamino-benzyloxy)-2,3-dichloro-phenyl]-2-methyl-2h-pyrazol-3-yl}-piperidin-1-yl)-2-oxo-ethyl]-amide
+CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)c5cc(c(c(c5)Br)O)Br	FRJ	3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid [4-(thiazol-2-ylsulfamoyl)-phenyl]-amide
+CCCCCC(=O)Nc1nc(c(s1)c2ccc(cc2)O)c3ccc(cc3)O	FRK	n-[4,5-bis(4-hydroxyphenyl)-1,3-thiazol-2-yl]hexanamide
+C[C@@H](C(CCc1cccc2c1oc(n2)c3ccc(cc3)Cl)n4cc(nc4)C(=O)N)O	FRL	1-((1r,2s)-1-{2-[2-(4-chlorophenyl)-1,3-benzoxazol-7-yl]ethyl}-2-hydroxypropyl)-1h-imidazole-4-carboxamide
+Cc1cccc2c1N=C(NC2=O)CCC[N@@]3CCC(=CC3)c4ccc(cc4)F	FRM	2-{3-[4-(4-fluorophenyl)-3,6-dihydro-1(2h)-pyridinyl]propyl}-8-methyl-4(3h)-quinazolinone
+C[C@@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)[O-])O	FRO	(5r,6s)-6-[(1r)-1-hydroxyethyl]-7-oxo-3-[(2r)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
+CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)Nc3ccc(cc3)F)N	FRP	n1-((2s,3s,5r)-3-amino-6-(4-fluorophenylamino)-5-methyl-6-oxo-1-phenylhexan-2-yl)-n3,n3-dipropylisophthalamide
+c1ccc(cc1)C2=CC[N@@](CC2)CCCCN3c4cccc(c4C(=O)NC3=O)F	FRQ	5-fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2h)-yl)butyl]quinazoline-2,4(1h,3h)-dione
+C[C@@H]1CC=CC(=O)[C@H]([C@H](C\C=C\c2cc(cc(c2C(=O)O1)O)OC)O)O	FRR	(3r,5z,8s,9s,11e)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
+Cc1cc(c(o1)C(F)(F)F)NC(=O)/N=C\2/NC=C(S2)CCNc3cc(ncn3)Nc4nc[nH]n4	FRS	1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2z)-5-(2-{[6-(1h-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3h)-ylidene]urea
+Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC	FRT	n-(2-methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O	FRU	beta-d-fructofuranose
+Cc1ncc(n1C2CC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)NC	FRV	4-{[4-(1-cyclopropyl-2-methyl-1h-imidazol-5-yl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide
+CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)O	FRW	4-[[(2s)-3-methyl-1-oxo-1-[(2s)-2-[[(3s)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid
+c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)NCCO)NC(=O)c3cc4cc(sc4[nH]3)Cl	FRX	(s)-2-chloro-n-(1-(2-(2-hydroxyethylamino)-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-6h-thieno[2,3-b]pyrrole-5-carboxamide
+c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)N)NC(=O)C3=CC4=CC(SC4=N3)Cl	FRY	(2s)-n-[(3s)-1-(2-amino-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-2-chloro-2h-thieno[2,3-b]pyrrole-5-carboxamide
+c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5nn4)N	FRZ	5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridazin-3-amine
+S[Fe]1S[Fe]S1	FS0	fe2/s3 cluster
+S=[Fe]	FS1	iron/sulfur cluster
+O1[Fe][O@]2[Fe]134O[Fe]356[S@@]4[Fe@]52S6	FS2	fe-s-o hybrid cluster
+S1[Fe]234[Fe]156[S]2[Fe]35(S4)S6	FS3	fe3-s4 cluster
+[S]12[Fe]3456[Fe]1789[Fe]2312[Fe]47([S]58)([S]61)[S]92	FS4	iron/sulfur cluster
+S(SS[Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)SS[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71	FS5	iron/sulfur penta-sulfide connected clusters
+C[C@H]1CCc2c(c(c3ccccc3n2)C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)S(=O)(=O)N)C1	FS7	(2s)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2s)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)OC[C@@H](CO)O	FS8	n-{5-[(7-{[(2r)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5h-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide
+c1cc(cc(c1)NC(=O)C2CCN(CC2)c3c4c([nH]cn4)ncn3)C(F)(F)F	FS9	1-(9h-purin-6-yl)-n-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
+C1[C@H]([C@H]([C@@H]([C@](O1)(CSCC(=O)O)O)O)O)O	FSA	1-s-(carboxymethyl)-1-thio-beta-d-fructopyranose
+c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F	FSB	n-(2-fluoro-benzyl)-4-sulfamoyl-benzamide
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C)O)[C@H](C)COC(=O)C)O)C)COC	FSC	fusicoccin
+C[C@@H]1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)c3ccc(cc3)NC(=O)[C@](C)(CO)N)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)N(C)C)O)O	FSD	amicetin
+c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O	FSE	3,7,3',4'-tetrahydroxyflavone
+O1[Fe][Fe][S@]2[Fe@]13[Fe]2S3	FSF	4fe-2s-o hybrid cluster
+[C@H](C(=O)NO)(F)P(=O)(O)O	FSG	[(1s)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]phosphonic acid
+Cc1cc2c(cc1C)N(C(=O)[C@@]3(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FSH	 (2r,3s,4s)-5-[(4r)-6',7'-dimethyl-2,3',5-trioxo-1'h-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'h)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate 
+CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O	FSI	5-acetamido-3,5-dideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CF)N)N)N)O	FSJ	(1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(fluoromethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside
+CC1=C(N(C(=O)NC1=O)C)/C=C(/CO)\CF	FSK	6-[(1z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C(CC(=O)O)C(=O)O	FSL	(2r)-2-phenylbutanedioic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)O)NC(=O)C)CO)O)O	FSM	forsmann antigen
+c1cc(ccc1CN2C(=O)[C@H]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)C(=[NH2+])N)F	FSN	(3asr,4rs,8asr,8brs)-4-(2-(4-fluorobenzyl)-1,3-dioxodeacahydropyrrolo[3,4-a] pyrrolizin-4-yl)benzamidine
+O1[Fe]O[Fe]234([Fe@@]15[S@]2[Fe@@]3(O4)S5)[S]	FSO	iron/sulfur/oxygen hybrid cluster
+CCCC[C@@H](C(=O)C(=O)Nc1ccn[nH]1)NC(=O)OCC2(CCC2)Cc3ccc(cc3)F	FSP	[1-(4-fluorobenzyl)cyclobutyl]methyl (1s)-1-[oxo(1h-pyrazol-5-ylamino)acetyl]pentylcarbamate
+C[C@]1(C[C@H](C[C@H]([C@@H]1O)O)C(=O)O)O	FSQ	(1~{s},3~{r},4~{s},5~{r})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1[C@H]([C@H](CO)O)O)(C(=O)O)F)F)O	FSR	(2s,3s,4r,5r,6r)-5-acetamido-2,3-bis(fluoranyl)-4-oxidanyl-6-[(1s,2s)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C	FSS	3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CCOP(=S)(OCC)Oc1ccc(cc1)[S@](=O)C	FST	o,o-diethyl o-{4-[(r)-methylsulfinyl]phenyl} phosphorothioate
+COCCCN1Cc2cccc(c2C1=O)C(=O)N	FSU	2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1h-isoindole-4-carboxamide
+c1cc(c(cc1/C=C/c2cc(cc(c2)O)O)F)O	FSV	5-[(e)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O	FSW	methyl 6-deoxy-2-se-methyl-2-seleno-alpha-l-galactopyranoside
+[O][Fe]1O[Fe@@]23S[Fe]245[S]3[Fe@@]4(O1)S5	FSX	bis-(mu-2-oxo),[(mu-3--sulfido)-bis(mu-2--sulfido)-tris(cys-s)-tri-iron] (aqua)(glu-o)iron(ii)
+Cc1c(c2cccnc2n1Cc3ccc(cc3C(F)(F)F)S(=O)(=O)C)CC(=O)O	FSY	fevipiprant
+[H]/N=C(/N)\Nc1cc(cc(c1)C(F)(F)F)C2CCNCC2	FSZ	1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine
+c1ccc(cc1)Oc2ccc(cc2O)C=O	FT0	3-hydroxy-4-phenoxybenzaldehyde
+c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl	FT1	4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
+c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl	FT2	5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
+c1cc(c(cc1CO)O)Oc2ccc(cc2Cl)Cl	FT3	2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol
+CN([C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4ccc(cc4)F	FT4	[(3r)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9h-carbazol-9-yl]acetic acid
+C1[C@H](C(C(CC1C(=O)O)O)O)O	FT5	(3~{r})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
+c1cc2c(cc1F)[nH]cc2C[C@@H](C(=O)O)N	FT6	6-fluoro-l-tryptophan
+CC[C@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4F)F)C)C	FT7	1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-n-[(1r)-1-phenylpropyl]-1h-indole-5-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S	FT8	omapatrilat
+c1ccc(cc1)Nc2ccc(cc2)N\C=C(\C#N)/c3n[nH]nn3	FTA	3-(4-phenylamino-phenylamino)-2-(1h-tetrazol-5-yl)-acrylonitrile
+CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)Cc4ccccc4F	FTB	n-{4-[1-(2-fluorobenzyl)-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-ylmethyl]-phenyl}-acetamide
+CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)Cl	FTC	n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-chloro-pyridyl]-thiourea
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2CC(=C(NC2=O)N)F	FTD	[(2r,5s)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate
+c1ccc(cc1)N=C=S	FTE	phenylisothiocyanate
+c1ccc(cc1)CNC[C@@H](CC[C@@H](C(=O)NCCc2ccc(cc2)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	FTG	(2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-n-[2-(4-hydroxyphenyl)ethyl]hexanamide
+Cn1cncc1C[C@@H](C(=O)N2CCC(=C(C2)c3cccc4c3cccc4)C#N)NCc5ccc(cc5)C#N	FTH	1-[2-(4-cyano-benzylamino)-3-(3-methyl-3h-imidazol-4-yl)-propionyl]-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile
+c1ccc2c(c1)cccc2C3=C(CCN(C3)C(=O)Cc4cncn4Cc5ccc(cc5)C#N)C#N	FTI	1-{2-[3-(4-cyano-benzyl)-3h-imidazol-4-yl]-acetyl}-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl	FTJ	(2r)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid
+c1ccc(cc1)C(=O)CC(=O)CC(=O)C(F)(F)F	FTK	6,6,6-trifluoro-1-phenylhexane-1,3,5-trione
+Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(c(c3)c4cccc5c4cccc5)C#N	FTL	4-[(3-cyano-benzyl)-(3-methyl-3h-imidazol-4-ylmethyl)-amino]-2-naphthalen-1-yl-benzonitrile
+C(C(=O)N)F	FTM	2-fluoroacetamide
+CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F	FTN	n-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2ccccc2)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	FTO	~{tert}-butyl ~{n}-[(2~{s},3~{r},5~{r})-6-[[(2~{s})-1-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
+Cc1c(sc[n+]1Cc2cnc(nc2N)C(F)(F)F)CCOP(=O)([O-])[O-]	FTP	3-(4-amino-2-trifluoromethyl-pyrimidin-5-ylmethyl)-4-methyl-5-(2-phosphonatooxy-ethyl)-thiazol-3-ium
+CCCCn1cc[n+](c1[Au]c2n(cc[n+]2C)CCCC)C	FTQ	bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold
+c1cc2c(cc1F)c(c[nH]2)C[C@@H](C(=O)O)N	FTR	fluorotryptophane
+c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CN[C@H](C2)CF	FTS	(3r)-3-(fluoromethyl)-n-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
+CCCCCCCCCCC[C@H](CC(=O)O)O	FTT	3-hydroxy-tetradecanoic acid
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)F	FTU	5-fluorotubercidin
+C[C@H](C(=O)O)Oc1ccc(cc1Cl)Cl	FTV	(2r)-2-(2,4-dichlorophenoxy)propanoic acid
+CC(C)(CO)NCCn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5ccc(c6c5cccc6)OC	FTW	5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4Cl	FTX	(1s)-1-[(7-chloranyl-1h-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1h-isoquinoline-2-carbaldehyde
+c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)P(=O)(O)O	FTY	deoxy-difluoromethelene-phosphotyrosine
+c1cc(c(c(c1)Cl)CNc2[nH]nc(n2)c3ccco3)F	FTZ	n-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2h-1,2,4-triazol-3-amine
+c1cc(oc1)CCOC(=O)O	FU0	2-(furan-2-yl)ethyl hydrogen carbonate
+C1CCOC1	FU1	tetrahydrofuran
+c1cc(oc1)C=O	FU2	furfural
+c1c(cc(c(c1OCCCC(F)(F)F)c2c3c(nc(n2)N)CN(C3)C(=O)NC4CCC4)Cl)Cl	FU3	2-amino-n-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidine-6-carboxamide
+C[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O	FU4	2,6-anhydro-1-deoxy-d-galactitol
+Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F	FU5	4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine
+C=CC(=O)Nc1cc(cc(c1)C(=O)NCC#C)c2c3ccccc3[nH]n2	FU6	3-(1h-indazol-3-yl)-5-(prop-2-enoylamino)-n-prop-2-ynyl-benzamide
+CC(CNC(=O)N1Cc2c(nc(nc2c3c(cc(cc3Cl)Cl)OCCn4cccn4)N)C1)(F)F	FU7	2-amino-4-{2,4-dichloro-6-[2-(1h-pyrazol-1-yl)ethoxy]phenyl}-n-(2,2-difluoropropyl)-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidine-6-carboxamide
+C1C[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	FU8	dicarbonyl[bis(cyanide-kappac)]-mu-(ethanethiolatato-1kappas:2kappas)-mu-(ox omethylidene)diiron(2+)
+c1cc(cc(c1)Nc2c3c(cnc(n3)NC4CC4)c5ccc(cc5n2)C(=O)O)C(F)(F)F	FU9	3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid
+C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C	FUA	fusidic acid
+C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O	FUB	beta-l-arabinofuranose
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O	FUC	alpha-l-fucopyranose
+C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O	FUD	d-fructose
+C[C@@H]1CN([C@H](CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(c5c4cc(cn5)Cc6ccc(cc6)F)(C)C	FUE	2-[[(2~{r},5~{r})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{h}-isoindol-1-one
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)F)O)O	FUF	2-deoxy-2-fluoro-beta-l-fucopyranose
+CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC)C	FUG	fumagillin
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O	FUH	[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{s},5~{r},6~{r})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{r})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate
+CC(C)C1=C(C(=O)N(N1C)c2ccccc2)NC(=O)Nc3ccc(cc3)Cl	FUI	n-(4-chlorophenyl)-n'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1h-pyrazol-4-yl]urea
+COc1ccc2c(c1)OC(=O)C=C2CP(=O)(O)O	FUJ	[(7-methoxy-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+C[C@@H]1CN([C@H](CN1)CN2[C@@H](COC[C@H]2C)C)CC(=O)N3CC(c4c3cc(cn4)[C@H](c5ccc(cc5)F)O)(C)C	FUK	2-[(2~{r},5~{r})-2-[[(3~{r},5~{r})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{s})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]ethanone
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O	FUL	beta-l-fucopyranose
+C(=C/C(=O)O)\C(=O)O	FUM	fumaric acid
+c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl	FUN	5-(aminosulfonyl)-4-chloro-2-[(2-furylmethyl)amino]benzoic acid
+c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCN(CC4)C(=O)CC5CC5	FUO	2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-n-(phenylmethyl)ethanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)F	FUP	2',3'-dideoxy-3'-fluoro-urididine-5'-diphosphate
+O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O	FUQ	mo5 cluster
+c1cc(oc1C=NN2C=COC2=O)[N+](=O)[O-]	FUR	furazolidone
+NS(=O)(=O)N	FUS	sulfuric diamide
+c1cc(cc(c1)OCC(=O)O)CNC(=O)Nc2nnc(o2)c3ccco3	FUU	2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid
+c1cc2c(cc1Cl)C(=N[C@@H]3CC=CC[C@H]3O2)N4CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	FUV	(5ar,9ar)-2-chloro-11-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine
+c1cc(oc1CO)C=O	FUX	5-hydroxymethyl-furfural
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)N=[N+]=N)O)O)O	FUY	beta-l-fucosyl-azide
+c1ccc(c(c1)C(=O)O)NCc2ccco2	FUZ	2-[(furan-2-ylmethyl)amino]benzoic acid
+CC(C)CNC[C@H]([C@H](Cc1ccccc1)N)O	FV0	(2r,3s)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol
+C[C@H]1[C@H](O1)[P@](=O)(O)O[V](=O)(O)O	FV1	dihydroxy{[(2r,3s)-3-methyloxiran-2-yl]phosphonato-kappao}oxovanadium
+[O][Mo]12(O[Mo]3(O[Mo]456(O3[Mo]7(O1)(O2[Mo]8(O7[Mo]91(O4)(O8[Mo]2(O9[Mo](O15)(O2)(O6)([O])[O])([O])([O])[O])[O])([O])([O])[O])([O])[O])[O])([O])([O])[O])([O])[O]	FV2	mo8 cluster
+CC(=CCC/C(=C/CC/C(=C/COC[C@H](CO)O)/C)/C)C	FV3	(2s)-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
+Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)Cl	FV4	6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=O)(=O)C	FV5	(1r,2s)-1-hydroxy-2-{[n-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5ccccc5Cl)Cl	FV7	6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole
+C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCc3c[nH]cn3)O	FV8	(4~{s},5~{r})-2-[2,3-bis(oxidanyl)phenyl]-~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-~{n}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide
+c1cc(cc(c1)NC(=O)c2ccc(cc2)F)c3nc(c4ccsc4n3)NC(P(=O)(O)O)P(=O)(O)O	FV9	{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
+CC(C)[C@@H](C(=O)O)NC=O	FVA	n-formyl-l-valine
+B(c1ccc(cc1C)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)(O)O	FVC	[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)C5=CCNCC5)Cl	FVD	6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1h-benzimidazole
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=O)(=O)C	FVE	(1s,2s)-1-hydroxy-2-{[n-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(O)O[C@@H](Cc3ccccc3)C(=O)O	FVF	o-((((n-phenyl-methoxy-carbonyl)-phenyl alanyl-carbonyl)amino)-isobutyl)hydroxy phosphinyl)-3-phenylacetic acid
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)N5CCC[C@H]5CN)Cl	FVG	1-[(2s)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CCC[C@H](C5)C(=O)N)O)O)O)OP(=O)(O)O)N	FVH	[[(2~{r},3~{s},4~{r},5~{r})-5-[(3~{r})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5c([nH]nc5C)C)Cl	FVJ	6-chloro-4-(3,5-dimethyl-1h-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole
+c1cc(ccc1O)OC[C@H](CNCCNC(=O)N2CCOCC2)O	FVK	~{n}-[2-[[(2~{s})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)c6c([nH]nc6C)C)Cl	FVM	6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1h-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1h-benzimidazole
+C[C@@H](Cc1ccc(cc1)OC)NC[C@H](c2ccc(c(c2)NC=O)O)O	FVN	~{n}-[5-[(1~{s})-2-[[(2~{s})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide
+Cc1cc(cc(c1O)C)C(=O)NC[C@H]([C@H]([C@H]2[C@@H]([C@H](C[C@@](O2)(C(=O)O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OCCN)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCCC6)O)O	FVP	2-aminoethyl 5-{[(4-cyclohexyl-1h-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranonosyl-(2->6)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranoside
+c1cc(cnc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	FVQ	3-(pyridin-3-yl)prop-2-yn-1-yl alpha-d-mannopyranoside
+CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc(cc4)OCc5ccccc5	FVR	3-methyl-2-[[(3r,5r)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5h-pyrrolo[3,2-d]pyrimidin-4-one
+C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCC[S@@](=O)CCCC(C(F)(F)F)(F)F)O	FVS	(7beta,9beta,13alpha,17beta)-7-{9-[(r)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol
+C(CC(=O)O)C(=O)CN	FVT	5-azanyl-4-oxidanylidene-pentanoic acid
+c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F	FVV	10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
+CN(c1ccc(nc1)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	FVW	(2~{s})-2-[[(2~{s})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F	FVX	fluvoxamine
+Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F	FVY	1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1h-benzimidazol-2-amine
+c1cc(ccc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F	FVZ	(2~{s})-2-[[(2~{s})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O)[C@H](C)COC(=O)C)O)C)COC	FW1	fusicoccin a aglycone
+C([C@H]([C@H](CO)O)O)C(=O)C(=O)O	FW2	l-2-keto-3deoxy-gluconate
+Cc1cc2c(cc1C)n(c(n2)N3CCNCC3)Cc4ccc(c(c4)Cl)F	FW4	1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1h-benzimidazole
+COC[C@H](CO)O	FW5	(2~{s})-3-methoxypropane-1,2-diol
+CCc1cccc(c1)OP(=O)(O)O	FW6	(3-ethylphenyl) dihydrogen phosphate
+c1cc(c(cc1Cn2c3cc(ccc3nc2N4CCNCC4)Cl)Cl)F	FW7	6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCn4cc(nn4)c5ccnc(c5)NC(=O)Nc6cccc7c6[C@@H]8CCCCN8C7=O	FW8	1-[(10~{b}~{s})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea
+COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)OCO4	FW9	n4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)N6CCN(CC6)C)Cl	FWA	6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1h-benzimidazole
+C[C@@H](Cc1cc(cc(c1)O)C(F)(F)F)N	FWB	3-[(2~{s})-2-azanylpropyl]-5-(trifluoromethyl)phenol
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4NC)O	FWC	n-methylanthraniloyl-coa
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F	FWD	2-amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
+C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3C=C(N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O)N	FWE	4-[[4-[[4-[(3~{s})-5-azanyl-3-[[4-[[(~{e})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2-oxidanylidene-3~{h}-pyrrol-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid
+C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C(C)C	FWF	n,n'-[biphenyl-4,4'-diyldi(2r)propane-2,1-diyl]dipropane-2-sulfonamide
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCCC4	FWG	cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
+Cc1cc(c2ccccc2n1)C(=C)c3ccc4c(c3)c5ccccc5n4C	FWH	9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C	FWI	(1r,2s)-2-{[n-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl]propane-1-sulfonic acid
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Cc4ccc(cc4)F	FWJ	2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+CC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	FWK	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol
+C(CC(=O)O)c1c(c([nH]c1I)CN)CC(=O)O	FWL	3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1h-pyrrol-3-yl]propanoic acid
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)CC4CCCCC4	FWM	2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+CCOCCOCCOCCO	FWN	2-[2-(2-ethoxyethoxy)ethoxy]ethanol
+CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N	FWO	(2s)-2-[[(3s)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid
+COc1ccc(c(c1)OC)CC(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4	FWP	2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-]	FWQ	p-sulfonatocalix[6]arene
+C[C@H]1CN(CCN1C(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c4cccc5c4ccnc5	FWS	(2s)-n-(2h-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-]	FWT	p-sulfonatocalix[8]arene
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Nc4cccc(c4Cl)Cl	FWV	n-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide
+C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3CC(=O)N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O	FWW	4-[[4-[[4-[(3~{s})-3-[[4-[[(~{e})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid
+CCNc1nc2c(c(n1)C(=O)N)CN(CC2)C(=O)CCc3ccc(cc3)C(C)C	FWX	2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5h-pyrido[4,3-d]pyrimidine-4-carboxamide
+c1cc(cc(c1)[N+](=O)O)C(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4	FWY	hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium
+Cc1c(scn1)c2ccc(c(c2)OCCc3ccc(cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@H](C(C)(C)C)NC(=O)C8(CC8)F)O	FWZ	(2~{s},4~{r})-~{n}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{s})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O	FX0	(2s,4r)-4-[(3r,5s,6r,7r,8r,9s,10s,12s,13r,14s,17r)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid
+C([C@@H]1C(=O)[C@@H]([C@](O1)(CO)O)O)O	FX1	beta-d-threo-hexo-2,4-diulo-2,5-furanose
+CC1C(=O)c2ccc(cc2N=C1c3cnn(c3)Cc4ccc(cc4)OC(F)(F)F)OC	FX2	7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{h}-quinolin-4-one
+COc1cc(ccc1O)\C=C\C(=O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)O)O)O	FX3	5-o-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-l-ribofuranose
+COc1ccc(cc1OCC(=O)O)\C=C/2\C(=O)N(C(=O)S2)CC(=O)O	FX4	[(5z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
+c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O	FX5	2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol
+CC[C@@H](C(=O)O)Sc1[nH]c2c(n1)c(ncn2)N	FX6	(2s)-2-[(6-azanyl-9h-purin-8-yl)sulfanyl]butanoic acid
+CCCCCCCC(=O)Oc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-]	FX7	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl octanoate
+Cc1c(scn1)c2ccc(c(c2)OCCOCCOCCN3CCN(CC3)c4cc(nnc4N)c5ccccc5O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@H](C(C)(C)C)NC(=O)C7(CC7)F)O	FX8	(2~{s},4~{r})-~{n}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{s})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1ccc(c(c1)NC(=O)c2ccc(cc2)N3C=CC=CC3=O)S(=O)(=O)Nc4ccc(cn4)Cl	FXA	n-(2-(((5-chloro-2-pyridinyl)amino)sulfonyl)phenyl)-4-(2-oxo-1(2h)-pyridinyl)benzamide
+CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2	FXB	5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione
+c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]	FXD	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl benzoate
+Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC	FXE	1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea
+CCCCNC(=O)c1cccc(c1)NC(=O)CCCCCNc2c3c([nH]cn3)ncn2	FXG	n-butyl-3-{[6-(9h-purin-6-ylamino)hexanoyl]amino}benzamide
+CN(C)Cc1c2ccccc2ccc1O	FXH	1-[(dimethylamino)methyl]naphthalen-2-ol
+CCCCN(C(=O)Nc1ccc(cc1)Cl)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C	FXI	1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-n-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide
+COc1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]	FXJ	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate
+c1ccc2c(c1)c(c[nH]2)CO	FXK	1~{h}-indol-3-ylmethanol
+CC/C=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C	FXM	2,2-dimethylpropanoyloxymethyl (2r)-5-(aminocarbonyloxymethyl)-2-[(1r)-1-[[(z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]- 3,6-dihydro-2h-1,3-thiazine-4-carboxylate
+c1cc2c(cc1F)cc([nH]2)C(=O)NCCS	FXN	5-fluoro-1h-indole-2-carboxylic acid-(2-mercapto-ethyl)-amide
+[H]/N=C(/N)\NCCCCNC(=N)N	FXQ	1-(4-carbamimidamidobutyl)guanidine
+CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)NCc4cccnc4)C2=O	FXR	6-azanyl-11-methyl-2-oxidanylidene-n-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide
+c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-]	FXS	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate
+[H]/N=C(/N)\NCCCCCNC(=N)N	FXT	1-(5-carbamimidamidopentyl)guanidine
+CS(=O)(=O)CC[C@H](C(=O)Nc1cccc(c1)OC(F)(F)F)N	FXU	(2r)-2-azanyl-4-methylsulfonyl-n-[3-(trifluoromethyloxy)phenyl]butanamide
+C[C@H]([C@@H](Cc1cccc(c1)C(=[NH2+])N)C(=O)OC)NC(=O)c2ccc(cc2)c3cc[n+](cc3)[O-]	FXV	methyl-3-(4'-n-oxopyridylphenoyl)-3-methyl-2-(m-amidinobenzyl)-propionate
+c1cc2c(cc1CCc3ccc4c(c3)N(CNS4(=O)=O)C5CC5)N(CNS2(=O)=O)C6CC6	FXW	6,6'-(ethane-1,2-diyl)bis(4-cyclopropyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide)
+c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CC(=O)O)N	FXX	(3r)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid
+CCCCCC[C@@H](C)NC=O	FXY	1-methylheptylformamide
+CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)O	FY0	(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoic acid
+COCOc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-]	FY1	n-{[3,5-dibromo-2-(methoxymethoxy)phenyl]methyl}-2-nitrobenzamide
+c1cc(c(c(c1C[C@@H](C(=O)O)N)F)F)O	FY2	2,3-difluoro-l-tyrosine
+c1c(c(c(c(c1F)O)F)F)C[C@@H](C(=O)O)N	FY3	2,3,5-trifluoro-l-tyrosine
+c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Cl)Br)Br)[N+](=O)[O-]	FY4	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate
+C[C@]12CC[C@H]3c4ccc(cc4CC[C@@H]3[C@@H]1CCC2=O)OS(=O)(=O)O	FY5	estrone 3-sulfate
+C[C@@H](c1nccn1CCCc2ccc(cc2)Cl)O	FY6	(1s)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol
+c1ccc(c(c1)C#N)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]	FY7	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate
+c1cc(c(cc1Cl)NC(=O)C2CCNCC2)O	FY8	n-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide
+CS(=O)(=O)C[C@@H]([C@H](C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(cc3)CO)N)O	FY9	(2r,3r)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one
+c1ccc(cc1)C[C@@H](CO[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	FYA	adenosine-5'-[phenylalaninol-phosphate]
+c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCC(CC3)(F)F)O	FYB	~{n}-[[4,4-bis(fluoranyl)-1-oxidanyl-cyclohexyl]methyl]-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide
+C/C(=C\c1ccccc1F)/C(=O)NCc2ccc3c(c2)NC(=O)N3	FYC	3-(2-fluorophenyl)-2-methyl-n-((2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)methyl)acrylamide
+COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]	FYD	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate
+c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O	FYE	6-fluoranyl-~{n}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide
+C[C@@H](c1nccn1Cc2cc(on2)c3ccccc3)O	FYF	(1s)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol
+C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N	FYG	(2s,5r)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
+c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3CCOCC3	FYH	3-(morpholin-4-ylmethyl)-~{n}-[4-(trifluoromethyloxy)phenyl]benzamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC	FYI	n-{(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-isoleucyl-l-aspartamide
+c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O	FYJ	phenyl 1-thio-beta-d-glucopyranosiduronic acid
+c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O	FYK	3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
+C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)OCC(CO)(CO)N)O	FYL	2-azanyl-2-[[4-[2-[3-[[2-[(1s)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol
+CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3c(cc2C(=O)NCc4ccc(cc4)OC)OCO3	FYM	2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O	FYN	s-{(9r,13s,15r)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate 
+C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N	FYO	4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1h-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile
+CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F	FYP	ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
+CNC(=O)C[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N	FYQ	n~2~-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-glutaminyl-l-aspartamide
+c1ccc(cc1)c2ccc(c(c2)O)C(=O)O	FYR	2-oxidanyl-4-phenyl-benzoic acid
+CC[C@@H](c1ccc(cc1)O)C(c2ccc(cc2)O)c3ccc(cc3)O	FYS	4,4',4''-[(2r)-butane-1,1,2-triyl]triphenol
+C1=C(C(=O)NC(=O)N1)C=O	FYU	2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
+c1cc2ncc(n2nc1)c3ccncc3	FYV	3-(pyridin-4-yl)imidazo[1,2-b]pyridazine
+c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4cncnc4)OC(F)(F)F	FYW	6-[(3~{r})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{n}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide
+c1cnccc1c2[nH]nc(n2)c3ccnc(c3)C#N	FYX	4-(5-pyridin-4-yl-1h-1,2,4-triazol-3-yl)pyridine-2-carbonitrile
+B(c1ccccc1)(c2ccc(cc2)Br)OCCN	FYY	2-aminoethyl (4-bromophenyl)phenylborinate
+c1ccc(cc1)c2ccc(cc2)C#CCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	FYZ	(2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-[3-(4-phenylphenyl)prop-2-ynoxy]oxane-3,4,5-triol
+c1cc(cc(c1)OC(F)(F)F)NC(=O)CN	FZ0	2-azanyl-n-[3-(trifluoromethyloxy)phenyl]ethanamide
+COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5	FZ1	4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline
+c1cc(ccc1CCCn2ccnc2)Cl	FZ3	1-[3-(4-chlorophenyl)propyl]imidazole
+B(c1ccccc1)(c2ccccc2)OCCN	FZ4	2-aminoethyl diphenylborinate
+CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	FZ5	scorzodihydrostilbene a
+c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CO)N	FZ6	(2r)-2-azanyl-3-oxidanyl-n-[3-(trifluoromethyloxy)phenyl]propanamide
+c1ccc2c(c1)[nH]c(n2)C3CCN(CC3)c4c5cn[nH]c5ncn4	FZ8	4-[4-(1h-benzimidazol-2-yl)piperidin-1-yl]-1h-pyrazolo[3,4-d]pyrimidine
+c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)c4c5cn[nH]c5ncn4	FZ9	4-[4-(1h-indol-3-yl)-3,6-dihydropyridin-1(2h)-yl]-1h-pyrazolo[3,4-d]pyrimidine
+CN1c2cccc(c2C(=O)N3[C@H]1c4c(c5c([nH]4)cccc5OC)CC3)OC	FZA	(13bs)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7h)-one
+CC1=Cc2ccnc(c2NC1=O)NC3C[C@H]4CC[C@@H](C3)N4C	FZB	3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1h)-one
+Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCC(CC6)(F)F)N5	FZE	8-(((1r,2r,3r,5s)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1h)-one
+COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)C(=O)N5CCOCC5	FZF	4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCS(=O)(=O)CC6)N5	FZH	8-[[(1~{s},2~{r},3~{r},5~{r})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{h}-quinolin-2-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C	FZI	(1s,2s)-2-{[n-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl]propane-1-sulfonic acid
+CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C	FZJ	3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O	FZK	5'-o-(n-(l-seryl)-sulfamoyl)uridine
+COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)N5CCCC5=O	FZL	4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1ccc(cc1)c2cn3c(n2)CCC3	FZM	2-phenyl-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole
+C/C(=N/CCCC[C@@H](C(=O)O)N)/S[C@@H]1[C@@H]([C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	FZN	(2s)-2-amino-6-{[(1z)-1-{[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid
+COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCOCC4)N5CCCC5=O	FZO	2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCC(=O)Nc1cccc(c1)N(c2ccnc(n2)Nc3ccn(n3)C)C(=O)OCc4ccc(cc4)F	FZP	(4-fluorophenyl)methyl {2-[(1-methyl-1h-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O	FZQ	5'-o-(n-(l-seryl)-sulfamoyl)cytidine
+Cn1cc(cn1)Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4	FZR	4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO)[C@@H]2N=C(C(=C)CS2)C(=O)O	FZS	(2r)-2-[(1s)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O	FZT	5'-o-(n-(l-seryl)-sulfamoyl)n3-methyluridine
+C1[C@@H]([C@H]([C@H]([C@](O1)(CO)O)O)O)O	FZU	(2r,3r,4r,5s)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3	FZV	tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+Cc1ccc(cc1Nc2nc(nc(n2)c3cccnc3)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	FZW	3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+c1ccc(cc1)Cn2ccnc2C(=O)O	FZX	1-(phenylmethyl)imidazole-2-carboxylic acid
+Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C	FZZ	1-deoxy-5-o-phosphono-1-[(10ar)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6h-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-d-ribitol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	G	guanosine-5'-monophosphate
+[H]/N=C(/N)\SCc1ccc(c(c1)Cl)OCCCC	G00	4-butoxy-3-chlorobenzyl imidothiocarbamate
+C[P@](=O)(N[C@H](CCC(=O)O)C(=O)O)O	G01	n-[(r)-hydroxy(methyl)phosphoryl]-d-glutamic acid
+Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cnccn4)C)C(=O)Nc5cccc(c5)C(F)(F)F	G02	4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCSC)C(=O)OC)O	G03	methyl (2s)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC	G04	(3r,3as,4r,6ar)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)OC2C[C@@H]3[C@H](C2)OCCO3)O)S(=O)(=O)c4ccc(cc4)OC	G05	(4ar,6r,7as)-hexahydro-4ah-cyclopenta[b][1,4]dioxin-6-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCSC)C(=O)OC)O	G06	methyl (2s)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)O	G07	4-{[(2r,3s)-3-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)N	G08	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2CC=C)c4ccc(cc4)OCc5ccccc5	G09	2-[[(3~{r},5~{r})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{h}-pyrrolo[3,2-d]pyrimidin-4-one
+C1[C@H]([C@@H]([C@H]([C@H]([C@H]1NC(=[NH2+])N)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O)O)NC(=[NH2+])N	G0B	(1s,2r,3s,4r,6s)-4,6-bis{[amino(iminio)methyl]amino}-2-{[3-o-(2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-l-glucopyranosyl)-beta-d-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-l-glucopyranoside
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCSC)O	G0C	[6-methyl-4-[(e)-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3	G0D	tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cncnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F	G0E	4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCSC)O	G0F	[6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5	G0G	n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(n-benzylbenzenesulfonamide)
+Cc1ccc(cc1Nc2c3ccccc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	G0H	4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN[C@H](Cc2ccccc2)C(=O)NCc3cccnc3	G0J	nalpha-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-n-[(pyridin-3-yl)methyl]-d-phenylalaninamide
+Cc1ccc(cc1Nc2c3cccnc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	G0K	4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3	G0M	tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+Cc1ccc(cc1Nc2nc(nc(n2)c3ccncc3)c4ccncc4)C(=O)Nc5cccc(c5)C(F)(F)F	G0N	3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+C[C@H](CS)C(=O)Nc1cccc(c1)c2n[nH]nn2	G0O	(s)-n-(3-(2h-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide
+c1cc(ccc1C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	G0P	n-[(2s)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-d-galactopyranosyloxy)benzamide
+Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)Cl	G0Q	~{n}-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
+[H]/N=C(/N)\NCCCCNC(=O)C	G0R	n-(4-carbamimidamidobutyl)ethanamide
+C(CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)O	G0S	3-(beta-d-galactopyranosylthio)propanoic acid
+CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	G0T	(2s)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NCC4CCCC4)N5CCCC5=O	G0U	4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3	G0V	tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+CC[N+](CC)(CCCCCN1C(=CC(=O)N(C1=O)CCCCC[N+](CC)(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-]	G0W	1,3-bis[5(diethyl-o-nitrobenzylammonium)pentyl]-6-methyluracil
+c1cc(ccc1CNc2c(c(nc(c2Cl)Cl)C(=O)C3=C(CCCC3=O)O)Cl)Cl	G0X	3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCc3cccnc3	G0Y	tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=NC9C8N=CN=C9N)O)O)S)O)O	G0Z	[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2C(CO3)(F)F)O)S(=O)(=O)c4ccc(cc4)N	G10	(3r,3as,6as)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+Cc1ccc(cc1c2ccc(cn2)C(=O)NCC3CC3)C(=O)NC4CC4	G11	6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-n-(cyclopropylmethyl)pyridine-3-carboxamide
+CC1=C(C(=O)Oc2c1ccc(c2Br)O)Br	G12	3,8-dibromo-7-hydroxy-4-methyl-2h-chromen-2-one
+C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c3cccc4c3cccc4)C(C)(C)C)NC	G13	n-[(3ar,6s,6as)-1-(n-methyl-l-alanyl-3-methyl-l-valyl)octahydrocyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide
+c1ccc(cc1)c2[nH]cc(n2)C(=O)O	G14	2-phenyl-1h-imidazole-4-carboxylic acid
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3nc([nH]n3)c4ccc(s4)Cl	G15	5-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1h-1,2,4-triazole-3-sulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O	G16	1,6-di-o-phosphono-alpha-d-glucopyranose
+Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)NC(=O)c5cccc(c5)C(F)(F)F	G17	n-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
+c1ccc2c(c1)-c3ccsc3NC2=O	G18	4h-thieno[2,3-c]isoquinolin-5-one
+C[C@@H]1C=C[C@@]23C[C@@H](C(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)NC(=O)c4ccc(nn4)N)C)O	G19	(2s,3ar,4r,5s,6s,8r,9r,9ar,10r)-2,5-dihydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-prop[1]enocyclopenta[8]annulen-8-yl [(6-aminopyridazin-3-yl)carbonyl]carbamate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)([C@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N	G1C	5'-o-[(r)-{[(s)-[(s)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3	G1D	nalpha-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-n-[2-(pyridin-3-yl)ethyl]-d-phenylalaninamide
+CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc(cnc3)N	G1E	(2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide
+Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)OC)O)O)O	G1G	7-methyl-guanosine-5'-triphosphate-5'-(2'-o-methyl)-guanosine
+C[C@@H]1CCC[C@@H](N1C2=NC(=O)c3cc(cc(c3O2)[N+](=O)[O-])C(F)(F)F)C	G1H	2-[(2~{s},6~{r})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCc3cccnc3	G1J	tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+c1ccc(cc1)OCC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O	G1K	5-hydroxy-6-oxo-2-[(2s)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid
+CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F	G1L	3-chloro-2,2-dimethyl-n-[4-(trifluoromethyl)phenyl]propanamide
+C[C@@H]([P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O	G1M	2'-deoxy-5'-o-[(r)-hydroxy({(s)-hydroxy[(1r)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine
+c1cc(cnc1)S(=O)(=O)Nc2c(ncs2)C(=O)O	G1N	5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid
+CC1=CNC(=O)c2c1c(ccc2)N	G1O	5-amino-4-methylisoquinolin-1(2h)-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O	G1P	1-o-phosphono-alpha-d-glucopyranose
+c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=C(NC2=O)N	G1R	[(2r,3r,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCOP(=O)(Cn1ccc(n1)NC(=O)c2cc(cc(c2)OC(C)C)Oc3cnc(cn3)C(=O)N4CCC4)OCC	G1S	diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1h-pyrazol-1-yl]methyl}phosphonate
+c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F	G1T	8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one
+COC(=O)C1=C(C(=O)c2ccc(cc2N1c3ccccc3)F)Cc4ccc(cc4)S(=O)(=O)CCO	G1W	methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate
+C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)O)N	G1X	(2s)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid
+c1ccc(cc1)C(=O)NCc2cccc(c2)c3cn4c(n3)CCC4	G1Y	n-{[3-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide
+c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F	G1Z	8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one
+[H]/N=C(/N)\N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)C(=O)N(C)CCC)C(=O)O	G20	5-n-acetyl-4-guanidino-6-methyl(propyl) carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid
+CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](CC(O2)C(=O)O)N)NC(=O)C	G21	5-acetylamino-4-amino-6-(phenethylpropylcarbamoyl)5,6-dihydro-4h-pyran-2-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)O)C	G23	(2r,4s)-2-[(r)-benzylcarbamoyl-phenylacetyl-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
+Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O	G24	[4-(3-benzyl-4-hydroxybenzyl)-3,5-dimethylphenoxy]acetic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	G25	guanosine-5'-monophosphate
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)CO)C	G26	2-(benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid (hydroxymethyl-2-phenylethyl)amide
+c1ccc(cc1)CCC[N@@]2C[C@@H]([C@H]([C@@H](C2)O)O)CO	G27	(3r,4r,5r)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol
+CCN(CC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C	G28	5-n-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid
+CC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C	G29	(6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione
+CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO	G2A	2-hydroxy-1-(hydroxymethyl)ethyl icosanoate
+C[C@@H]([C@@H](CNC(=O)N)N)O	G2B	1-[(2~{r},3~{s})-2-azanyl-3-oxidanyl-butyl]urea
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N=C(NC2=O)N	G2C	2'-deoxy-5'-o-[(s)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+Cc1ccc(cc1OC)C(=O)N[C@@H]2CCc3c2cc(cc3)c4cn5c(n4)CCC5	G2D	n-[(1r)-6-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1h-inden-1-yl]-3-methoxy-4-methylbenzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O	G2F	2-deoxy-2-fluoro-alpha-d-glucopyranose
+Cc1ccc(cc1)[n+]2c(cc([nH]2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)c5ccc(nc5)CN6CCOCC6	G2G	5-tert-butyl-2-(4-methylphenyl)-3-{[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1-naphthyl}amino)carbonyl]amino}-1h-pyrazol-2-ium
+C(C(CO)OP(=O)(O)O)O	G2H	2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate
+C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CO	G2I	(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-o-beta-d-glucopyranosyl-beta-d-glucopyranoside
+COc1cccc(c1)C(=O)N(Cc2cccc(c2)c3cn4c(n3)CCC4)CC5CC5	G2J	n-(cyclopropylmethyl)-n-{[3-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide
+c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O	G2K	2-{(2s)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
+COCCO[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O	G2L	3'-o-methyoxyethyl-guanosine-5'-monophosphate
+CC(C)([P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O	G2M	2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine
+CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@H](N2)C)c3ccccc3	G2N	ethyl [(2r)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
+CCC1=C(C2=[N]3C1=Cc4c(c5c6n4[Mg]37N8C(=CC9=[N]7C(=C6[C@H](C5=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OC/C=C(/C)\CC=C[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)C=C)C)C)C	G2O	chlorophyll a ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N	G2P	phosphomethylphosphonic acid guanylate ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)NC(=NC2=O)N	G2Q	guanosine diphosphate ribose
+c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)N=C(NC2=O)N	G2R	[(2r,3r,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=S)(O)S)O)N=C(NC2=O)N	G2S	guanosine-5'-dithiophosphorate
+CCOP(=O)(Cc1csc(n1)NC(=O)c2cc(cc(c2)O[C@@H](C)COC)Oc3ccc(cc3)S(=O)(=O)C)OCC	G2T	diethyl {[2-(3-[4-(methanesulfonyl)phenoxy]-5-{[(2s)-1-methoxypropan-2-yl]oxy}benzamido)-1,3-thiazol-4-yl]methyl}phosphonate
+CN1CCc2c1ccc(c2)c3cn4c(n3)CCC4	G2V	6-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline
+C[C@@H](C(F)(F)F)Nc1c(c(nc2n1ncn2)Cl)c3c(cc(cc3F)OCCCNC)F	G2X	6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-n-[(2s)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@]2([C@H]([C@@H]([C@@H](O2)CCl)O)O)CCl)O)O)Cl)O	G2Y	1,6-dichloro-1,6-dideoxy-alpha-l-sorbofuranosyl 4-chloro-4-deoxy-beta-d-galactopyranoside
+C[C@@H](CNC(=O)O)N	G2Z	[(2~{s})-2-azanylpropyl]carbamic acid
+c1cc(c(cc1F)NC(=O)[C@@H]2C[C@@H]2C(=O)O)F	G30	(1s,2r)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid
+C[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2N=C(NC3=O)N	G31	3'-methyl-2',3'-deoxy-guanosine-5'-monophosphate
+COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	G32	o6-methyl-2'-deoxy-guanosine-5'-monophosphate
+Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	G33	8-methyl-2'-deoxyguanosine 3'-monophosphate
+C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@@H]5CC[C@H](C4)N5C)C	G34	(3as,4r,5s,6s,8r,9r,9ar,10r)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]thio}acetate
+[H]/N=C(\N)/N[C@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	G35	(5r)-5-carbamimidamido-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)imidazolidine-2,4-dione
+CCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	G36	o6-ethyl-2'-deoxyguanosine-5'-monophosphate
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)[C@@H](CC(=O)NCc5[nH]c6ccccc6n5)O)C	G37	2-(benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid 3-[(1h-benzimidazol-2-ylmethylcarbamoyl)-1-benzyl-2-hydroxypropyl]-amide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N=C(NC2=O)N	G38	3'-amino-2'-deoxy-guanosine-5'-monophosphate
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O	G39	(3r,4r,5s)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N	G3A	guanosine-p3-adenosine-5',5'-triphosphate
+Cc1nnc(o1)c2ccc3c(c2)c(co3)c4ccc(cc4)[S@@](=O)C	G3B	2-methyl-5-(3-{4-[(s)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole
+c1cc(ccc1[C@H]2CNCCc3c2cc(c(c3Cl)O)O)O	G3C	(1r)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N	G3D	guanosine-3'-monophosphate-5'-diphosphate
+c1ccc2c(c1)C=C(C(=O)N2)O	G3E	3-hydroxyquinolin-2(1h)-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O	G3F	3-deoxy-3-fluoro-beta-d-glucopyranose
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)N)S(=O)(=O)c5ccc(cc5)N	G3G	n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(4-amino-n-benzylbenzenesulfonamide)
+C([C@H](C=O)O)OP(=O)(O)O	G3H	glyceraldehyde-3-phosphate
+C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)CO	G3I	(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranoside
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cc[nH]n3)Nc4ccccc4Cl	G3J	1-[(2s,4r)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1h-pyrazol-3-yl)-3,4-dihydroquinolin-1(2h)-yl]ethan-1-one
+CC(C)(C(=O)N1CCC[C@@H]1C2=NC(=C(C(=O)N2)O)C(=O)O)Oc3ccc(cc3)Cl	G3K	2-{(2r)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+CC(=O)O[C@H]1CC(=O)OC([C@H]2[C@]1([C@H]3CC[C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3(C(=O)C2)C)O5)c6ccoc6)C)C)(C)C	G3L	nomilin
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](C(=O)O)N)O	G3M	(3s)-n~6~-carbamimidoyl-3-hydroxy-l-lysine
+C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)N	G3N	(2r,3r,4s,5s)-5-amino-3,4-dihydroxytetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1cc(c(c2c1[C@@H](O[C@@H](C2)C34CC5CC(C3)CC(C5)C4)CN)O)O	G3O	(1r,3s)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1h-isochromene-5,6-diol
+C([C@H](COP(=O)(O)O)O)O	G3P	sn-glycerol-3-phosphate
+CC(C)(C)NC[C@H](COc1ccc(cc1)NC(=O)NC2CCCCC2)O	G3Q	r-talinolol
+c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2	G3R	2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol
+CCCCCN1c2ccc(cc2C(=O)C1=O)SCCc3ccc(cc3)C(=O)O	G3S	4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1h-indol-5-yl)sulfanyl]ethyl}benzoic acid
+CC(C)(C)N1CCO[C@@H](C1)COc2ccc(cc2)NC(=O)NC3CCCCC3	G3T	1-[4-[[(2~{s})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea
+Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c(cccn3)OC(F)F	G3U	6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2cnc3c(n2)c(nc(n3)N)N)CO	G3V	n-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-l-glutamic acid
+c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F	G3W	2-(4-fluorophenyl)-~{n}-[(4-phenoxyphenyl)methyl]ethanamine
+COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N@](C2)CCCN5CCCCC5)C=C[C@@H](C4)O	G3X	(4as,6r,8as)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol
+CCNC(=O)Nc1cc2c(ccc(c2cn1)Nc3cccnc3)c4ccncc4	G3Z	1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea
+CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@@](CCC[N@](Cc1ccc(cc1)c2ccsc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O	G40	methyl n-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-thiophen-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
+C1[C@@H]([C@H](OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O	G42	8-oxo-2'-deoxy-guanosine-5'-monophosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccc(c(c1)Cl)OC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	G43	[(3~{a}~{s},4~{r},6~{a}~{r})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{n}-[(2~{s},3~{r})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate
+[H]/N=C(\c1ccc(cc1)CNc2cc(ccn2)C(=O)c3cccc(c3)C)/N	G44	4-({[4-(3-methylbenzoyl)pyridin-2-yl]amino}methyl)benzenecarboximidamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)S(=O)(=O)N(C)C)C#N)C(C)C)C#N)N	G45	5-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{n},~{n}-dimethyl-thiophene-2-sulfonamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)S)O)O)N=C(NC2=O)N	G46	guanosine-5'-monothiophosphate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)NCCS	G47	n2-ethanethiol-2'-deoxy-guanosine-5'-monophosphate
+COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O	G48	2'-o-methyoxyethyl-guanosine-5'-monophosphate
+CNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	G49	n2-methyl-2'-deoxy-guanosine-5'-monophosphate
+CN\1c2ccccc2O/C1=C\c3[n+](c4ccccc4s3)CCCS(=O)(=O)O	G4A	2-[(z)-(3-methyl-1,3-benzoxazol-2(3h)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium
+CCCCCC/C=C\CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]2CCC(=O)N[C@H](C(=O)N[C@H](C(=O)OC2)Cc3ccc(cc3)O)C(C)C	G4B	thalassospiramide c
+C[C@H]1c2cccc(c2C[C@@H](N1C(=O)Cc3c(cccc3Cl)Cl)CO)CCC(C)(C)O	G4C	2-[2,6-bis(chloranyl)phenyl]-1-[(1s,3r)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1h-isoquinolin-2-yl]ethanone
+C1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO	G4D	4-deoxy-alpha-d-glucopyranose
+Cc1cccc(c1C)Nc2[nH]c(nn2)c3ccc(cc3)Oc4ccncc4	G4E	~{n}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{h}-1,2,4-triazol-3-amine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)F)O)O)O)O)N=C(NC2=O)N	G4F	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{s},6~{r})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N	G4G	4,4'-{(3s,4s)-pyrrolidine-3,4-diylbis[(benzylimino)sulfonyl]}dibenzamide
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2C)C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7	G4H	~{n}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide
+Cn1cc(cn1)Nc2nccc(n2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F	G4J	[(1s)-2,2-difluorocyclopropyl][(1r,5s)-3-{2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7	G4K	borussertib
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)O	G4M	[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s,5s,6r)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+CCC(=O)Nc1cccc(c1)C(=O)NC2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6	G4N	~{n}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide
+CC(C)N	G4O	propan-2-amine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	G4P	guanosine-5',3'-tetraphosphate
+CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6	G4Q	~{n}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O	G4S	4-o-sulfo-beta-d-galactopyranose
+CCC(=O)Nc1cc(ccc1Cl)NC(=O)NC2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6	G4T	~{n}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide
+CCCCCCCCCCCCCC=S	G4U	tetradecanethial
+[H]/N=C\N1CC(Oc2c1cc(cc2)c3c4c(c[nH]c4ncn3)CCOC)(F)F	G4V	(z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4h-1,4-benzoxazin-4-yl}methanimine
+c1c(cc(cc1F)F)[C@@H]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N	G4W	6-[4-[(5~{s})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile
+CCCCCCCCCCCCCCCC=S	G4X	hexadecanethial
+[H]/N=C/N[C@H]1CCc2c1cc(cc2)c3c4c(c[nH]c4ncn3)c5ccccc5	G4Y	n-[(1s)-6-(5-phenyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]imidoformamide
+CC(C)([C@H](N(C)CCS)O)Oc1ccc(cc1)Cl	G4Z	(1~{r})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol
+c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O	G50	3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc5c(c4)OCO5)N2)C(F)(F)F	G51	(5r,7s)-n-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC	G52	(3r,3as,3br,6as,7as)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)c5nc(co5)C(=O)OC	G53	methyl 2-{4-[{(2r,3s)-3-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate
+C[C@@]1(CCc2c1cc(cc2)c3c4cc[nH]c4ncn3)NC#N	G54	[(1s)-1-methyl-6-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]cyanamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2CCOCOC2)O)S(=O)(=O)c3ccc(cc3)OC	G55	(5r)-1,3-dioxepan-5-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)COc2ccc(cc2)OC(F)(F)F	G56	(2s)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CC(=O)O)C(C)C)C#N)N	G57	2-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid
+Cn1cc(nc1)S(=O)(=O)[N@@](Cc2ccc(cc2)c3cccc(c3)S(=O)(=O)C)Cc4c(cccc4Cl)F	G58	n-(2-chloro-6-fluorobenzyl)-1-methyl-n-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1h-imidazole-4-sulfonamide
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)F)N2)C	G59	(5r,7r)-5-(4-ethylphenyl)-n-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N	G5A	5'-o-(glycylsulfamoyl)adenosine
+C[C@]12C[C@@H]([C@H](C([C@@H]1CCC(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)(C)C)Cl)Cl	G5B	(3~{r})-3-[(1~{s})-2-[(1~{s},4~{a}~{r},6~{s},7~{s},8~{a}~{r})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{h}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione
+CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)N4CCCC4=O)C#N	G5C	2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCNC(=O)c1ccc(cc1)Nc2nccc(n2)N3C[C@@H]4C[C@H]3CN4C(=O)CC#N	G5D	4-({4-[(1s,4s)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-n-ethylbenzamide
+c1ccc(c(c1)N2C(=NNC2=S)c3ccc(cc3O)O)F	G5E	3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{h}-1,2,4-triazole-5-thione
+C[C@](C[C@@H](C(=O)O)N)(CO)O	G5G	(2s,4s)-2-amino-4,5-dihydroxy-4-methylpentanoic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O	G5H	5'-o-(n-(l-aspartyl)-sulfamoyl)uridine
+COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O	G5J	5'-o-[(s)-hydroxy{[(r)-hydroxy{[(s)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
+C=CC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5	G5K	1-[(3s)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one
+CN(Cc1ccccc1)c2ccc3c(c2)OC(=O)C(=C3)C(=O)O	G5L	7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CS)N)O)O)O	G5M	(2s)-2-{[2-(l-cysteinylamino)-2-deoxy-alpha-d-glucopyranosyl]oxy}butanedioic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O	G5N	5'-o-(n-(l-aspartyl)-sulfamoyl)cytidine
+c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3C(=O)O)Cl	G5O	2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N	G5P	p1-(5'-adenosyl)-p5-(5'-guanosyl) pentaphosphate
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O	G5Q	5'-o-(n-(l-aspartyl)-sulfamoyl)n3-methyluridine
+Cc1cncn1CCCNC(=O)N(CC2CCCC2)c3ccc(c(c3)OC)OCCN4CCOCC4	G5R	1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea
+c1cc(cc(c1)O)c2cccc(n2)N3CCOCC3	G5T	3-(6-morpholin-4-ylpyridin-2-yl)phenol
+CC1=C(C(=O)C(=CO1)O)C(=O)O	G5V	5-hydroxy-2-methyl-4-oxo-4h-pyran-3-carboxylic acid
+C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)OC)C(=O)C)N	G5W	(2~{r})-2-azanyl-~{n}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
+c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N)c4ccnc(n4)N	G5X	1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide
+C1=COC(=C(C1=O)O)C(=O)O	G5Y	3-hydroxy-4-oxo-4h-pyran-2-carboxylic acid
+C[C@H](C(=O)Nc1nc(c(s1)c2cccnc2)C(=O)C)N	G5Z	(2~{r})-2-azanyl-~{n}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
+Cc1c(c2cc(ccc2[nH]1)Cl)CCN	G60	2-(5-chloro-2-methyl-1h-indol-3-yl)ethan-1-amine
+CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)c2cc(cc(c2)OC)OC)NC(=O)OC(C)(C)C)O)S(=O)(=O)c3ccc(cc3)OC	G61	tert-butyl [(2s,3r)-1-(3',5'-dimethoxybiphenyl-3-yl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
+c1cc(cc(c1)O)c2cccc(n2)[C@]34CCOC[C@H]3C4	G62	3-[6-[(1~{s},6~{r})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol
+C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)N	G63	 mannose-alpha-1,3-2-aminodeoxymannojirimycin
+Cc1cc(cc(c1)C(=O)N(C)Cc2c(oc(n2)C)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O	G64	n-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-n'-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-n,5-dimethylbenzene-1,3-dicarboxamide
+Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	G65	masitinib
+CC(C)Oc1ccc(cn1)c2c3cc(ccc3[nH]n2)NC(=O)[C@@]4(CCN(C4)CC(=O)N5CCC(=CC5)c6ccc(cc6)c7ncn(n7)C)SC	G67	(3s)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2h)-yl}-2-oxoethyl)-n-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1h-indazol-5-yl)pyrrolidine-3-carboxamide
+c1cc(cc(c1)O)c2cccc(n2)C3CCOCC3	G68	3-[6-(oxan-4-yl)pyridin-2-yl]phenol
+CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cn3cc(c(n3)C(F)(F)F)CO	G69	n-[(2s)-5-{[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-2,3-dihydro-1h-inden-2-yl]propane-2-sulfonami de
+Cc1ccc(cc1c2ccc(cc2C)c3nnc(o3)C)C(=O)NC4CC4	G6A	n-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
+C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)N)C(=O)C)N	G6B	(2~{r})-~{n}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide
+C1=CC(=O)NC=C1O	G6C	5-oxidanyl-1h-pyridin-2-one
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	G6D	alpha-d-quinovopyranose
+C[C@H](C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C)N	G6E	(2~{r})-2-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N	G6F	3-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid
+Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5ccc(cc5)CN6CCN(CC6)C	G6G	n-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4cc(c(c(c4)OC)OC)OC)NC(=O)c5cccc(c5)C(F)(F)F	G6H	n-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide
+Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5cccc(c5)C(F)(F)F	G6I	n-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide
+CCCN1c2cnc(nc2N([C@@H](C1=O)C)CCC)Nc3cc(c(c(c3)F)O)F	G6J	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5h)-one
+CCC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5	G6K	1-[(3s)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one
+CCCN[C@H]1CCc2c(sc(n2)N)C1	G6L	(6s)-n6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
+c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)CCl)F)N3CCOCC3	G6M	2-chloro-n-({(5s)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
+CCCN1CCO[C@H]2[C@H]1COc3c2cc(cc3)O	G6O	(4ar,10br)-4-propyl-3,4a,5,10b-tetrahydro-2h-chromeno[4,3-b][1,4]oxazin-9-ol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O	G6P	6-o-phosphono-alpha-d-glucopyranose
+C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O	G6Q	glucose-6-phosphate
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)C[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	G6R	n-[(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3s,3ar,5s,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)O	G6S	6-o-sulfo-beta-d-galactopyranose
+c1cc(cc(c1)S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N	G6T	3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]benzenesulfonamide
+CC(C)CCNC/C=C/S(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	G6U	~{n}-[(~{e})-3-[3,5-bis(trifluoromethyl)phenyl]sulfinylprop-2-enyl]-3-methyl-butan-1-amine
+c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)C(Cl)Cl)F)N3CCOCC3	G6V	2,2-dichloro-n-({(5s)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
+CC(=O)c1c(sc(n1)NC(=O)C(C)(C)N)c2cc(cnc2)N	G6W	2-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide
+COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N@@](C2)CCCCCCN5C(=O)c6ccccc6S5(=O)=O)C=C[C@@H](C4)O	G6X	2-{6-[(4as,6r,8as)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12h)-yl]hexyl}-1 ,2-benzisothiazol-3(2h)-one 1,1-dioxide
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccc(cc3)C(=O)O	G6Y	3'-[(2r)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid
+CC(=O)c1c(sc(n1)NC(=O)C2(CCC2)N)c3cc(cnc3)N	G6Z	1-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
+CC[C@H](C)[C@@H](C(=O)N[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](CC2CCCCC2)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@H]3CCCCN3C	G70	(2~{s},4~{s})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-4-methyl-3-[[(2~{s},3~{s})-3-methyl-2-[[(2~{r})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid
+c1cc(sc1CCCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	G71	n-({5-[4-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-l-glutamic acid
+C[C@]12CCC/C(=C\C=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O	G72	(1r,3r,7e,17beta)-17-[(1s)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol
+Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc(cc4)OC)[nH]cn3)C)/C=C/C#N	G73	(2e)-3-[4-({6-[(4-methoxyphenyl)amino]-7h-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C	G74	ethyl (4r)-4-[(tert-butoxycarbonyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	G75	ethyl (4r)-4-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+CCCCCCCn1cc[n+](c1)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	G76	[2-(1-heptyl-1h-imidazol-3-ium-3-yl)ethane-1,1-diyl]bis(phosphonate)
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@@H]2C[C@H]3C[C@H]4[C@@H]2CO[C@H]4O3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	G77	(1s,3ar,4r,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2s,3r)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCC[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC	G79	(3ar,3br,4s,7ar,8as)-decahydrofuro[2,3-b][1]benzofuran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)O)N2)C(F)(F)F	G7A	(5r,7s)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
+CC(=O)c1csc(n1)NC(=O)C(C)(C)N	G7B	2-azanyl-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide
+c1cc(c(cc1NCc2cnc3c(n2)C(=O)NC(=N3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	G7D	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-l-glutamic acid
+CC(=O)c1c(sc(n1)NC(=O)C2CNCCN2)c3ccc(cc3)C(=O)N4CCOCC4	G7E	~{n}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide
+c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O	G7G	genistein-7-o-glucuronide
+CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3ccc(cc3)N4CCCC4=O	G7H	(2~{r})-~{n}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide
+C1C=C2C=C(C(=O)C=C2N1)O	G7J	5-hydroxy-1,2-dihydro-6h-indol-6-one
+COc1ccc2c(n1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)C(c5ccc(cc5)F)(F)F	G7K	trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	G7M	n7-methyl-guanosine-5'-monophosphate
+[H]/N=C(/N)\N[C@H](C)C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C	G7N	(2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
+C(CP(=O)(O)O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	G7P	6,7-dideoxy-7-phosphono-beta-d-gluco-heptopyranose
+CC(=O)c1csc(n1)NC(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F	G7Q	(2~{r})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
+Cc1cc(ccc1c2c3c(ncnc3n(n2)C(C)C)N)NC(=O)CCC(=O)c4ccc(c(c4)C(F)(F)F)F	G7T	~{n}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cc[nH]n3)Nc4ccc(cc4)C#N	G7V	4-{[(2s,4r)-1-acetyl-2-methyl-6-(1h-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile
+CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)/C=C/C(=O)c4ccc(c(c4)C(F)(F)F)F)c(ncn2)N	G7W	(~{e})-~{n}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide
+Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C	G7X	ispinesib mesilate
+CNC(=O)CCN1C(=O)CCC1=O	G7Z	3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{n}-methyl-propanamide
+C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4CCNCC4)C	G80	(3as,4r,5s,6s,8r,9r,9ar,10r)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl (piperidin-4-ylthio)acetate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C	G81	ethyl (4r)-4-{[n-(tert-butoxycarbonyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3	G82	ethyl (5s,8s,11r)-8-benzyl-5-(3-tert-butoxy-3-oxopropyl)-3,6,9-trioxo-11-{[(3s)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3	G83	ethyl (5s,8s,11r)-8-benzyl-5-(2-tert-butoxy-2-oxoethyl)-3,6,9-trioxo-11-{[(3s)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCC3c4ccccc4-c5c3cccc5	G84	o-tert-butyl-n-[(9h-fluoren-9-ylmethoxy)carbonyl]-l-threonyl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](COC(C)(C)C)NC(=O)OCc3ccccc3	G85	n-[(benzyloxy)carbonyl]-o-tert-butyl-l-seryl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OC(C)(C)C	G86	n-(tert-butoxycarbonyl)-o-tert-butyl-l-threonyl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide
+Cc1ccc(c(c1Cl)NS(=O)(=O)c2nc3nc(cc(n3n2)OC)OC)Cl	G87	metosulam
+C(CC(=O)O)[C@H](CP(=O)(O)O)C(=O)O	G88	(2s)-2-(phosphonomethyl)pentanedioic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@@H]3O)O)S(=O)(=O)c4ccc(cc4)OC	G89	(3r,3ar,5r,6ar)-3-hydroxyhexahydro-2h-cyclopenta[b]furan-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)I)OC	G8A	ethyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4ccccc4OC)N	G8B	3-azanyl-~{n}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC	G8C	1,2-dioctanoyl-sn-glycero-3-phosphoethanolamine
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)OP(=O)(O)O	G8D	[(2r,3s,4r,5r)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
+c1cc(cnc1)NC(=O)c2c(ncc(n2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)N	G8E	3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{n}-pyridin-3-yl-pyrazine-2-carboxamide
+COc1cccc(c1)S(=O)(=O)N	G8F	3-methoxybenzenesulfonamide
+Cc1ncc(c(n1)N)CN(C=O)/C(=C(/CCOP(=O)(O)OP(=O)(O)O)\S)/C	G8G	(3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate
+c1ccc2cc(ccc2c1)CC(=O)Nc3ccccn3	G8H	2-naphthalen-2-yl-~{n}-pyridin-2-yl-ethanamide
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(ccc2OC)c3ccncc3	G8J	6-ethyl-5-{(3s)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+COc1cc(cc(c1OC)OC)C(=O)c2c[nH]c(n2)c3cccc4c3cc[nH]4	G8K	[2-(1h-indol-4-yl)-1h-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
+c1cc2cccnc2c(c1)S(=O)(=O)N	G8L	quinoline-8-sulfonamide
+C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O	G8M	(1s,2r)-2-[(s)-amino(carboxy)methyl]cyclobutanecarboxylic acid
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCOC)N	G8N	3-azanyl-~{n}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
+COc1cc(c(cc1c2cccs2)C(=O)O)OC	G8O	2,4-dimethoxy-5-thiophen-2-yl-benzoic acid
+CC(C)(C)O[C@H](N(C)[C@@H](c1ccccc1)[C@H](NCCS)O)O	G8Q	(1~{r},2~{s})-2-[methyl-[(~{r})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2C[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4O3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	G8R	(1r,3as,4s,6s,7ar)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2s,3r)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N(C)c5ccc(cc5)Cl	G8S	4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium
+CC(c1ccccc1)(c2ccccc2)[C@@H](NCCS)O	G8T	(1~{s})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol
+Cc1c(c(c(c(n1)CO)c2ccc(cc2)Oc3cccc(c3)OC(F)(F)F)O)Cl	G8U	3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol
+CN(C)c1cc[n+](cc1)Cc2ccccc2	G8V	1-benzyl-4-(dimethylamino)pyridinium
+c1cc(ncc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F	G8W	(2~{s})-2-[[(2~{s})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+C1CN[C@@H]([C@@H]1O)C(=O)O	G8X	(2~{s},3~{r})-3-oxidanylpyrrolidine-2-carboxylic acid
+c1cc(ccc1[C@@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF	G8Y	(8r)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2h-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol
+CO[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1O)O)OCC=C)CO	G8Z	prop-2-en-1-yl 4-o-methyl-alpha-d-mannopyranoside
+CC(C)(Cc1c[nH]c2c1cccc2)NC[C@@H](COc3ccccc3C#N)O	G90	2-[(2s)-3-[[1-(1h-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile
+c1cc(ccc1[C@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF	G91	(8s)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2h-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol
+COc1cc2c(cc1OC)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4)OC(F)(F)F	G92	[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone
+CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@H]4CCCNC4	G93	4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3s)-piperidin-3-ylmethoxy]-1h-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3 -yn-2-ol
+c1cc(sc1CCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	G94	n-({5-[3-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-l-glutamic acid
+c1ccc(cc1)[C@@H](CN)NC(=O)c2ccc(s2)c3ccnc4c3cc[nH]4	G95	n-[(1s)-2-amino-1-phenylethyl]-5-(1h-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
+CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@@H](Cc4ccccc4)N	G96	4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2r)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1h-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
+C=CC(=O)Nc1ccc2c(c1)nc(nc2Nc3cc[nH]n3)c4ccccc4	G97	n-[2-phenyl-4-(1h-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide
+CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)O[C@@H](CCN)c4ccccc4	G98	4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1s)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1h-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
+C(/C=C/C(=O)O)C(=O)O	G9A	(2e)-pent-2-enedioic acid
+CCC(=O)Nc1cccc(c1)n2c3ccccc3nc2c4c(ncc(n4)c5cnn(c5)C6CCN(CC6)C)N	G9B	n-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1h-pyrazol-4-yl]pyrazin-2-yl}-1h-benzimidazol-1-yl)phenyl]propanamide
+C[C@@H](c1ccccn1)NC(=O)c2cc3cccc(c3nc2)c4ccc(cc4)C(F)(F)F	G9C	n-[(1s)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
+c1cc2c3c(c1)[nH]cc3C(=NNC2=O)CN4CCOCC4	G9D	3-(morpholin-4-ylmethyl)-1,5-dihydro-6h-[1,2]diazepino[4,5,6-cd]indol-6-one
+COc1ccc2c(c1)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4N)OC(F)(F)F	G9E	[2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone
+CN(C)CCCOc1ccc(cc1)c2nc3cccc4c3n2CCNC4=O	G9F	2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one
+CN1CCN(CC1)c2ccc3c(n2)-c4ccccc4C(=O)N3	G9G	2-(4-methylpiperazin-1-yl)benzo[c][1,5]naphthyridin-6(5h)-one
+CN(C)Cc1nc2cccc3c2n1CCNC3=O	G9H	2-[(dimethylamino)methyl]-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one
+c1cc2c3c(c1)nc(n3CCNC2=O)CCc4ccc(cc4)CN5CCCC5	G9I	2-{2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one
+CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O	G9J	(2s)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2h-1-benzopyran-6-ol
+COc1cc(cc2c1OC=CO2)C(=O)c3c[nH]c(n3)c4c[nH]c5c4cccc5	G9K	[2-(1h-indol-3-yl)-1h-imidazol-4-yl](8-methoxy-1,4-benzodioxin-6-yl)methanone
+c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)C(=O)CCN4CCCCC4	G9L	8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2h)-one
+c1ccc2c(c1)-c3c(ccc(n3)NC(=O)CN4CCC(CC4)N5CCCC5)NC2=O	G9M	n-(6-oxo-5,6-dihydrobenzo[c][1,5]naphthyridin-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
+COc1ccc(cc1Cl)N([C@H](c2cccs2)C(=O)NCCc3ccccc3)C(=O)CCl	G9N	(2~{s})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{n}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide
+CCCCCCCCCCCCCC(=O)NO	G9O	n-oxidanyltetradecanamide
+c1cc2c3c(c1)Oc4ccc(cc4[C@H]3CNC2=O)S(=O)(=O)O	G9P	(11br)-3-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid
+CC(C)N1CCC(c2c1ccc(c2)C#Cc3ccc(cc3)C(=O)O)(C)C	G9Q	4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid
+CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=O)C	G9R	chlorophyll d isomer
+CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	G9S	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
+c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Br	G9U	(6r)-6-[(6-bromanyl-1h-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
+Cn1cnc2c1cc(cc2C3=CN(C(=O)c4c3cc[nH]4)CCC=C)C(=O)N5CCOCC5	G9V	6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1h-benzimidazol-4-yl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+Cc1cccc2c1C3=C(C[C@@H](OC3)C(C)C)NC2=O	G9W	(3r)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6h-pyrano[4,3-c]isoquinolin-6-one
+c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Cl	G9X	(6r)-6-[(6-chloranyl-1h-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
+C=CCCN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N4CCOCC4	G9Y	6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	G9Z	agropinic acid
+[Ga+3]	GA	gallium (iii) ion
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc2ccc3ccccc3c2)NC(=O)CN	GA0	glycylalanyl-n-2-naphthyl-l-prolineamide
+c1nc2c(n1COC(CO)CO)N=C(NC2=O)N	GA2	9-(1,3-dihydroxy-propoxymethane)guanine
+C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O	GA3	gibberellin a3
+C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O	GA4	gibberellin a4
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@@H](CC[C@@H]3O)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC	GA5	tert-butyl [(1r,4s)-4-hydroxy-7-{[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
+CS(=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O	GA6	3-[4-(methylsulfonylamino)phenyl]benzoic acid
+C[C@H](C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	GA7	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r)-1-{(2s,3s,4r,5s,6r)-6-[(1s)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl}propan-2-yl hydrogen (r)-phosphate (non-preferred name)
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@H](CCS3)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC	GA8	tert-butyl [(4s)-6-{[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-3,4-dihydro-2h-1-benzothiopyran-4-yl]carbamate
+c1cc2c(ccc3c2c(c1)C(OC3=O)(c4ccc(c(c4)Br)O)c5ccc(c(c5)Br)O)Cl	GA9	3,3-bis(3-bromo-4-hydroxyphenyl)-7-chloro-1h,3h-benzo[de]isochromen-1-one
+c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]	GAA	3-nitrophenyl alpha-d-galactopyranoside
+c1cc(cc(c1)N)C(=O)O	GAB	3-aminobenzoic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO	GAC	dihydro-acarbose
+C1[C@@H]([C@H](C=C(O1)C(=O)O)O)O	GAD	2,6-anhydro-3-deoxy-l-threo-hex-2-enonic acid
+[C@H]([C@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O	GAE	d-galactaric acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O	GAF	2-deoxy-2-fluoro-alpha-d-galactopyranose
+c1c(c(no1)O)C(=O)O	GAG	3-hydroxyisoxazole-4-carboxylic acid
+[H]/N=C(\N)/NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)[C@@H]2CCN2C(=O)[C@@H](CC3CCCCC3)NC(=O)C4CCC(CC4)CN/C(=N/[H])/N	GAH	n-{[(2s)-1-(n-{[4-({[amino(imino)methyl]amino}methyl)cyclohexyl]carbonyl}-3-cyclohexyl-l-alanyl)azetidin-2-yl]carbonyl}-l-tyrosyl-n~6~-[amino(imino)methyl]-l-lysinamide
+C(=N)(N)N	GAI	guanidine
+c1ccc2c(c1)C(=O)c3cc(ccc3O2)S(=O)(=O)N=C4NN=NN4	GAJ	n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide
+S1[Ga]S[Ga]1	GAK	[2ga-2s] cluster
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	GAL	beta-d-galactopyranose
+C[C@](CCC(=O)O)(C(=O)O)N	GAM	alpha-methyl-l-glutamic acid
+CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@H](C)[N@@]1CCC(=C[C@H](C1)Cc2ccccc2)[C@H](C)NC(=O)[C@H](C)N	GAN	2-[3-benzyl-5-(1-alanyl-aminoethyl)-2,3,6,7-tetrahydro-1h-azepin-1-yl]-1-oxopropyl-valinyl-valine-methylester
+c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	GAO	guanine arabinose-5'-phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)([O-])OC(=O)C[NH3+])O)O)N	GAP	glycyl-adenosine-5'-phosphate
+C(CCO)CC=O	GAQ	5-hydroxypentanal
+C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-]	GAR	glycinamide ribonucleotide
+c1ccc(cc1)C(c2ccccc2)NC(=NCC(=O)O)Nc3ccc(cc3)C#N	GAS	n-(p-cyanophenyl)-n'-diphenylmethyl-guanidine-acetic acid
+c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	GAT	4-aminophenyl alpha-d-galactopyranoside
+C(CC(=O)O)[C@@H](CO)N	GAU	(4s)-4-amino-5-hydroxypentanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O[P@@](=O)(O)OP(=O)(O)O)S)O)O)N=C(NC2=O)N	GAV	guanosine-5'-rp-alpha-thio-triphosphate
+Cc1ccccc1c2cc(ncc2N(C)C(=O)C(C)(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C	GAW	2-[3,5-bis(trifluoromethyl)phenyl]-~{n},2-dimethyl-~{n}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide
+c1ccnc(c1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4	GAX	1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea
+COc1ccc(cc1OC)C(=O)/C=S/C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GAZ	l-gamma-glutamyl-3-{(e)-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-lambda~4~-sulfanyl}-l-alanylglycine
+CP(=O)(O)O	GB	methylphosphonic acid ester group
+CCc1c(c2n3c1C=C4C(=C5C(=O)[C@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C	GB0	bacteriochlorophyll g'
+c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O	GB1	(2r,3r,4s)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
+c1ccc(cc1)[C@@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O	GB2	(2r,3r,4s)-2-({[(1s)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
+C[C@@H]1[C@@H]([C@@H]([C@H](N1)CN[C@@H](CO)c2ccccc2)O)O	GB3	(2r,3r,4s,5r)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol
+c1cc(c(cc1Cl)Cl)\C=C\C(=O)NO	GB4	(2e)-3-(2,4-dichlorophenyl)-n-hydroxyacrylamide
+c1cc(ccc1\C=C\C(=O)NO)Cl	GB5	(2e)-3-(4-chlorophenyl)-n-hydroxyacrylamide
+c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](C(=O)N2)O)O	GB6	(3r,4r,5r)-3,4-dihydroxy-5-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-2-one
+CN1[C@@H]([C@H]([C@H](C1=O)O)O)CN[C@@H](CO)c2ccccc2	GB7	(3r,4r,5r)-3,4-dihydroxy-5-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one
+c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N	GB8	(2r,3r,4s,5r)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9h-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
+c1cc(ccc1C(=O)Nc2ccc(nc2)Cl)F	GB9	n-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	GBA	8-bromoadenosine
+C1CC(C=C(C1)C(=O)O)N	GBC	gabaculine
+c1(c(nsn1)O)C(=O)O	GBD	4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid
+C1CN(CCN1CCCS(=O)(=O)O)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	GBE	3-{4-[2-(beta-d-glucopyranosyloxy)ethyl]piperazin-1-yl}propane-1-sulfonic acid
+CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C	GBF	bacteriochlorophyll g
+[H]/N=C(\CCl)/NCCCC[C@@H](C(=O)O)N	GBG	n~6~-[(1e)-2-chloroethanimidoyl]-l-lysine
+C1CN(CCN1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCS(=O)(=O)O	GBH	2-{4-[2-(beta-d-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid
+c1cc(cc(c1)I)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GBI	s-(3-iodobenzyl)glutathione
+CC1(C=Cc2c(ccc3c2OC[C@H](C3)c4ccc(cc4O)O)O1)C	GBJ	4-[(3r)-8,8-dimethyl-3,4-dihydro-2h,8h-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
+COc1ccccc1CN[C@H]2CCCN[C@H]2c3ccccc3	GBK	(2~{s},3~{s})-~{n}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine
+C1CC(=O)OC1	GBL	gamma-butyrolactone
+COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl	GBM	5-chloro-n-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide
+C1CCC(CC1)(CC(=O)O)CN	GBN	[1-(aminomethyl)cyclohexyl]acetic acid
+C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CC\C=C(/C)\CNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2	GBO	(2e,6e)-3,7-dimethyl-8-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate
+c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)Br	GBP	s-(n-hydroxy-n-bromophenylcarbamoyl)glutathione
+C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F	GBQ	5-[[(2~{r},3~{s})-2-[(1~{r})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)([C@@H](P(=O)(O)O)Br)O)O)N=C(NC2=O)N	GBR	5'-o-[(r)-{[(s)-[(r)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
+[H]/N=C(\N)/Nc1ccc(cc1)C(=O)O	GBS	4-carbamimidamidobenzoic acid
+Cc1c2c(cc(n1)N)OCC/C=C/CCCOc3cc(ccc3Cn4cc(cn4)C(=O)NC2)Cn5cccn5	GBT	(8e)-3-amino-1-methyl-15-[(1h-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6h,18h,23h-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one
+Cc1cccc(c1)[C@@H]2CN(CCc3c2cc(c(c3Cl)O)O)C	GBU	(1s)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
+c1cc(ccc1CC2=SC(=O)NC2=O)OCCNC(=O)CCCCC3CCSS3	GBV	n-(2-{4-[(2,4-dioxo-3,4-dihydro-2h-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3r)-1,2-dithiolan-3-yl]pentanamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCN4CCN(CC4)Cc5c(cc(cc5OC)C6=CN(C(=O)c7c6ccnc7)C)OC)O	GBW	(2~{s},4~{s})-1-[(2~{s})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H](C(=O)C4=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GBX	2-amino-4-[1-(carboxymethyl-carbamoyl)-2-(9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydro-benzo[def]chrysen-10-ylsulfanyl)-ethylcarbamoyl]-butyric acid
+c1ccc(cc1)N(CCNC(=O)c2ccc(nc2)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	GBZ	(2~{s})-2-[[(2~{s})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+C1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O	GC1	2,6-anhydro-l-gulonic acid
+CC(=O)N[C@H]1C[N@@]2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O	GC2	6-acetamido-6-deoxy-castanospermine
+C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OC(=N2)CO)O)O)O	GC3	(3ar,5r,6s,7r,7ar)-2,5-bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]oxazole-6,7-diol
+C1[C@@H]([C@H]([C@@H](OC1C(=O)O)O)O)O	GC4	4-deoxy-beta-d-glucopyranuronic acid
+c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N4CCC[C@H](C4)N)c5ccnc(n5)N	GC6	[(3r)-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone
+C(CCCN)CCCNC(N)N	GC7	1-guanidinium-7-aminoheptane
+c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)Cl	GC8	2-(2,4-dichlorophenoxy)-n-[4-(1-piperidinylmethyl)phenyl]acetamide
+C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@H]([C@@H](CO)O)O)C(=O)O	GC9	2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-l-altro-non-2-enonic acid
+CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2cc(cc(c2)C)C	GCA	6-(3',5'-dimethylbenzyl)-1-ethoxymethyl-5-isopropyluracil
+[C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O	GCB	(2s,3s,4s,5r)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid
+C[C@H]1CN(CCN1)C(=O)c2cn(c3c2ccc(c3)C#CC4(CCCCC4)O)c5ccnc(n5)N	GCC	[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3s)-3-methylpiperazin-1-yl]methanone
+C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O	GCD	4-deoxy-alpha-l-threo-hex-4-enopyranuronic acid
+CN(C(=O)N1[C@](SC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3)OC	GCE	(2~{s})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{n}-methoxy-~{n}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N	GCF	3-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid
+C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N	GCG	bis(gamma-glutamyl-cysteinyl-glycinyl)spermidine
+C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	GCH	glycocholic acid
+c1cc2c(c(c1)OCCNC(=[NH2+])N)NC3=NC(=O)N(C=C3O2)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	GCK	phosphoric acid 9-(2-guanidinoethoxy-3-(2-deoxy-beta-d-erythropentofuranosyl))-3h-pyrimido-[5,4-b][1,4]-benzooxazin-2-one]-5'-ester
+CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O	GCL	1-cyclohexyl-2-amino-3,4-dihydroxy-6-methylheptane
+CC(=O)CN	GCM	glycylmethylene group
+C1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N	GCN	2-amino-2,3-dideoxy-alpha-d-glucoyranose
+C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O	GCO	d-gluconic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N	GCP	phosphomethylphosphonic acid guanylate ester
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O)(F)F	GCQ	gemcitabine diphosphate
+CC1=O[Ga]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C	GCR	gallichrome
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O	GCS	2-amino-2-deoxy-beta-d-glucopyranose
+C1[C@@H]([C@H](CO[C@@H]1C(=O)O)O)O	GCT	2,6-anhydro-3-deoxy-l-xylo-hexonic acid
+[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O	GCU	alpha-d-glucopyranuronic acid
+CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O)O)O	GCV	4-o-methyl-alpha-d-glucopyranuronic acid
+CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O)O)O	GCW	4-o-methyl-beta-d-glucopyranuronic acid
+CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](C=CCCCCCCCCCCCCC)O	GCY	n-[(2s,3r)-1-(beta-d-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
+Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2	GCZ	n-[(3ar,6as)-hexahydrocyclopenta[c]pyrrol-2(1h)-ylcarbamoyl]-4-methylbenzenesulfonamide
+[Gd]	GD	gadolinium atom
+CCOCc1nc(c(n1CC(C)(C)O)c2ccccc2)I	GD0	1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol
+[H]/N=C\c1c[nH]c2c1C(=O)NC(=N2)N	GD1	2-amino-5-[(z)-iminomethyl]-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+[Gd+3]	GD3	gadolinium ion
+Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@H]4C(=O)NC(=O)S4)C	GD4	(5s)-5-[(4-{[(2r)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
+Cc1c(cnn1C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	GD5	5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-n-(5-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine
+C[C@H](C(C)(C)C)O[P@@H](=O)C	GD7	(1r)-1,2,2-trimethylpropyl (r)-methylphosphinate
+C[C@H](C(C)(C)C)O[P@H](=O)C	GD8	(1r)-1,2,2-trimethylpropyl (s)-methylphosphinate
+CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6	GD9	2-(1h-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N)O	GDA	4-amino-4-deoxy-beta-d-glucopyranose
+c1cc(c(cc1N(=O)=O)N(=O)=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GDB	1-(s-glutathionyl)-2,4-dinitrobenzene
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N	GDC	guanosine-5'-diphosphate-beta-l-galactose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N	GDD	guanosine-5'-diphosphate-alpha-d-mannose
+c1c(cc(c(c1O)O)O)C(=O)O	GDE	3,4,5-trihydroxybenzoic acid
+CCC1=C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)C[N@](C2)C1)(c5cc6c(cc5OC)N([C@H]7[C@]68CC[N@@]9C8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC	GDF	vinorelbine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=NC2=O)N	GDG	gdp-alpha-d-glucose
+Cc1ccnc(c1)COc2cccc(c2c3ccc4c(c3)CCNCC4)OC	GDH	7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1~{h}-3-benzazepine
+[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C@@H]3CCCCN3	GDI	(2s)-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]piperidine-2-carboxamide
+Cc1ccc(cc1)c2c(cccn2)OCc3ccccn3	GDK	2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O	GDL	2-(acetylamido)-2-deoxy-d-glucono-1,5-lactone
+C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)\C)OC)OC(=O)N)/C)C)O)OC	GDM	geldanamycin
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GDN	glutathione s-(2,4 dinitrobenzene)
+c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	GDO	3'-deoxy-guanosine 5'-monophosphate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N	GDP	guanosine-5'-diphosphate
+C1[C@@H]([C@H]([C@@H]([C@@H]2[C@H]1N2)O)O)CO	GDQ	(1~{s},2~{r},3~{r},4~{r},6~{s})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O	GDR	guanosine-5'-diphosphate-rhamnose
+C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GDS	oxidized glutathione disulfide
+CCCCCCC\C=C\C=C\C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)C=C[C@@H](NC1=O)C)O	GDT	(2e,4e)-n-[(2s,3r)-3-hydroxy-1-[[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O	GDU	galactose-uridine-5'-diphosphate
+CC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)C(=O)Nc3ccccc3	GDV	(5r,6r,7r,8s)-8-(acetylamino)-6,7-dihydroxy-5-(hydroxymethyl)-n-phenyl-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-carboxamide
+CCN(CC)CCn1c2c(c3c1-c4ccccc4C3=O)C(=O)CCC2	GDW	5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N	GDX	guanosine 5'-(trihydrogen diphosphate), p'-d-mannopyranosyl ester
+c1cc(sc1)CCOc2ccc(cc2)C=C3C(=O)NC(=O)S3	GDY	(5z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
+Cc1cn2cc(cc(c2n1)F)C3=CC(=O)N4C=C(C=CC4=N3)N5CCN(CC5)C	GDZ	2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
+CCCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	GE0	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate
+C1C[C@H]([C@H](O[C@@H]1CN)O)N	GE1	2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranose
+C1[C@H](CC(C[C@H]1N)O)N	GE2	3,5-diamino-cyclohexanol
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O)O	GE3	3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranose
+COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)/N=N/c4ccccc4)c5ccc(cc5)F)OC	GE5	3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-[(~{e})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
+C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)N)F	GE6	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+Cc1ccc(cc1)c2c3ccccc3nc(c2[C@@H](C(=O)O)OC(C)(C)C)C	GE7	(2s)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid
+CC(C)(C(=O)NCCCS)Oc1ccc(cc1)Cl	GE8	2-(4-chloranylphenoxy)-2-methyl-~{n}-(3-sulfanylpropyl)propanamide
+C1CN(CCN1CCC=O)CCC=O	GEB	3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal
+COc1cc(ccc1O)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)c4ccc(c(c4)OC)O	GEC	4-[(3s,3ar,6s,6ar)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol
+CCOC(=O)CN	GEE	ethyl glycinate
+COc1cc(ccc1O)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)c4ccc(c(c4)OC)O	GEF	4-[(3r,3as,6r,6as)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol
+C\C=C(/CCC(=O)O)\N	GEG	(4e)-4-aminohex-4-enoic acid
+CC(C)(C(=O)NCCS)Oc1ccc(cc1)Cl	GEH	2-(4-chloranylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+Cc1c(c(c(c(n1)C)[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)c3ccc(cc3)OCCc4ccc(cc4)F	GEI	(2s)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[S@+](CC[C@@H](C(=O)[O-])[NH3+])CC(=O)[O-])O)O)N	GEK	(2s)-4-[{[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate
+CCCCCCCCOCC(CO[P@](=O)(O)OCCN)O[P@](=O)(CCCCCCC)O	GEL	1-o-octyl-2-heptylphosphonyl-sn-glycero-3-phosphoethanolamine
+C(CS[C@@H](CC(=O)O)C(=O)O)NC(=N)N	GEM	(2-guanidinoethylmercapto)succinic acid
+c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O	GEN	genistein
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	GEO	gemcitabine
+C[N+]1(CCCCC1)CCc2ccc(cc2)NC(=O)CCCC(=O)O	GEP	n-methyl-n-(para-glutaramidophenyl-ethyl)-piperidinium ion
+c1ccc2c(c1)-c3ccccc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6	GEQ	5-{[4-(9h-fluoren-9-yl)piperazin-1-yl]carbonyl}-1h-indole
+C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	GER	geran-8-yl geran
+CC(C)C[C@@H](C(=O)N(C)N(C)C#N)NC(=O)c1cc(nn1C)C(C)(C)C	GES	3-tert-butyl-n-[(2s)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1h-pyrazole-5-carboxamide (non-preferred name)
+C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O	GET	geneticin
+Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3cccc(c3)Cl)C(=O)C4=C(NN(C4=O)C)C	GEU	3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{h}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione
+Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4	GEV	(5z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
+Cn1c(c(nc1/N=N/c2ccc(cc2)F)c3ccc(cc3)F)c4ccnc(c4)NC(=O)CCc5cc(ccc5OC)OC	GEW	3-(2,5-dimethoxyphenyl)-~{n}-[4-[5-(4-fluorophenyl)-2-[(~{e})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide
+CSc1ccccc1N2CCNCC2	GEX	1-(2-methylsulfanylphenyl)piperazine
+CCCCCCCCC/C=C\C(=O)O	GEY	(2z)-dodec-2-enoic acid
+Cc1c(n[nH]c1Nc2ccnc3c2cc(c(c3)OC)S(=O)(=O)C(C)(C)C)C	GEZ	6-~{tert}-butylsulfonyl-~{n}-(3,4-dimethyl-1~{h}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N=C(NC2=O)N	GF0	2'-deoxy-2'-fluoroguanosine
+C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O	GF1	(2s)-2-[(3ar,4r,7s,7as)-1,3-dioxooctahydro-2h-4,7-methanoisoindol-2-yl]propanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=C(NC2=O)N	GF2	2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)COC23CCNCC3	GF3	spiro[1h-2-benzofuran-3,4'-piperidine]
+CCC1=C(NN(C1=O)c2[nH]nnn2)C	GF4	4-ethyl-5-methyl-2-(1h-tetrazol-5-yl)-1,2-dihydro-3h-pyrazol-3-one
+C(CC(=O)N[C@@H](CSCCS(=O)(=O)F)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GF5	(2s)-2-azanyl-5-[[(2r)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+c1cc(cc(c1)NC(=O)N)C(F)(F)F	GF6	1-[3-(trifluoromethyl)phenyl]urea
+CC(=O)c1ccc(cc1)N2C[C@H](CC2=O)C(=O)O	GF7	(3s)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
+c1cc(c(cc1CC(=O)NCCS)Cl)Cl	GF8	2-(3,4-dichlorophenyl)-~{n}-(2-sulfanylethyl)ethanamide
+CCCC1=Nc2nc(nn2C(=O)C1)CNc3ccc(cc3)Cl	GF9	2-[[(4-chlorophenyl)amino]methyl]-5-propyl-6h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
+c1ccc(cc1)C(=O)c2cc(ccc2OCC(=O)Nc3ccccc3)Cl	GFA	2-[4-chloro-2-(phenylcarbonyl)phenoxy]-n-phenylacetamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O	GFB	guanosine-5'-diphosphate-beta-l-fucopyranose
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)([C@](F)(P(=O)(O)O)Cl)O)O)N=C(NC2=O)N	GFC	5'-o-[(s)-{[(s)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
+CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C	GFE	1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(C(F)(F)P(=O)(O)O)O)O)N=C(NC2=O)N	GFF	2'-deoxy-5'-o-[({[difluoro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]guanosine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)([C@H](F)P(=O)(O)O)O)O)N=C(NC2=O)N	GFH	2'-deoxy-5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+Cc1nc2c(cc(cc2n1c3ccnc4c3c(ccc4F)F)c5ccnc(c5F)N)c6[nH]cnn6	GFJ	4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4h-1,2,4-triazol-3-yl)-1h-benzimidazol-6-yl]-3-fluoropyridin-2-amine
+COc1ccc2c(c1)sc(n2)c3nc(on3)C4CCN(CC4)C(=O)CCC(F)(F)F	GFK	4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
+c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=C(NC2=O)N	GFL	2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one
+C[C@](F)([P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O	GFM	2'-deoxy-5'-o-[(s)-{[(s)-[(1r)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+C[C@H]1CN(CCN1)c2c(cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4)F	GFN	1-cyclopropyl-6-fluoro-8-methoxy-7-[(3s)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+CC(C)(C)c1ccc(cc1)c2nc3n(n2)C(=O)CC(=N3)CNc4ccc5ccccc5n4	GFO	2-(4-tert-butylphenyl)-5-[(quinolin-2-ylamino)methyl]-6h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)F)O)O)O	GFP	2-deoxy-2-fluoro-1-o-phosphono-alpha-d-glucopyranose
+CC(C)CCCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	GFQ	4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+COc1cc(ccc1O)C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(c(c3)OC)O	GFR	4-[[(3s,4s,5r)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol
+C[P@](=O)(OC[C@@H](C(=O)O)N)OC1CCCCC1	GFT	(2s)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid
+COc1cc(ccc1O)C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(c(c3)OC)O	GFU	4-[[(3r,4r,5s)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol
+C[C@@H](c1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3)O	GFV	hydroxy pioglitazone (m-iv)
+CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C	GFW	ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
+CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)Nc5ccccc5	GFZ	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{h}-chromene-2,4'-piperidine]-6-yl)-~{n}-phenyl-benzamide
+C(C(=O)NCC(=O)O)N	GG0	2-(2-azanylethanoylamino)ethanoic acid
+CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4	GG1	4-{[1-methyl-2,4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1,4-dihydroquinazolin-3(2h)-yl]methyl}benzoic acid
+COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O	GG2	1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxamide
+C[N@](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O	GG3	{1-hydroxy-3-[methyl(4-phenylbutyl)amino]propane-1,1-diyl}bis(phosphonic acid)
+CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5C=C(C=N5)[N+](=O)[O-]	GG4	(2s,3as,7as)-1-[(2s)-2-{[(2s)-2-cyclohexyl-2-({[(2r)-4-nitro-2h-pyrrol-2-yl]carbonyl}amino)acetyl]amino}-3,3-dimethylbutanoyl]-n-{(1s)-1-[(1r)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl}octahydro-1h-indole-2-carboxamide
+c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F	GG5	4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridine
+C[C@@H]([C@@H](O)P(=O)(O)O)O	GG6	[(1s,2s)-1,2-dihydroxypropyl]phosphonic acid
+C[C@H](N)P(=O)(O)O	GG7	[(1r)-1-aminoethyl]phosphonic acid
+c1ccc(cc1)S(=O)(=O)NCCC(F)(F)F	GG8	~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
+C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](C(F)F)(C(=O)O)OP(=O)(O)O	GG9	(3r,4s,5r)-5-[(1r)-1-carboxy-2,2-difluoro-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
+C[C@H](C(=O)NC[P@@](=O)(CCCCNCCCCN)OP(=O)(O)O)NC(=O)CC[C@H](C(=O)O)N	GGA	d-gamma-glutamyl-n-{[(r)-{4-[(4-aminobutyl)amino]butyl}(phosphonooxy)phosphoryl]methyl}-d-alaninamide
+[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N	GGB	l-canavanine
+c1ccc2c(c1)cccc2CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GGC	1-menaphthyl glutathione conjugate
+CCCCCCCCC=CCCCCCCCCC(=O)OC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC	GGD	nonadec-10-enoic acid 2-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy] -1-octadec-9-enoyloxymethyl-ethyl ester
+COc1ccccc1O[C@H](CO)[C@H](c2ccc(c(c2)OC)O)O	GGE	(1s,2r)-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6N=C(NC7=O)N)O)F)N=C(NC2=O)N	GGF	2-azanyl-9-[(1~{r},6~{r},8~{r},9~{r},10~{r},15~{r},17~{r},18~{r})-17-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{h}-purin-6-one
+C(C(=O)NCC(=O)NCC(=O)O)N	GGG	glycylglycylglycine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)N=C(NC2=O)N	GGH	2'-deoxy-5'-o-(hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)guanosine
+COc1ccc(cc1)c2c(c([nH]n2)N)c3cccc(c3)c4cccc(c4)N	GGJ	4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1h-pyrazol-5-amine
+CS(=O)(=O)NCC#Cc1ccc(cc1)S(=O)(=O)NCCC(F)(F)F	GGK	4-[3-(methylsulfonylamino)prop-1-ynyl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
+C(CC(=O)O)[C@@H](C(=O)O)N	GGL	gamma-l-glutamic acid
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)O[P@](=O)(NP(=O)(O)O)O	GGM	3'-o-(n-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate
+CCCc1cc(ccn1)c2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F	GGN	4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+c1cc2c(cc1CCN3C[C@@H]([C@H](CC3=O)c4cc(c(cc4F)F)F)N)OCO2	GGO	(4r,5r)-5-amino-1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
+c1c(cc(c(c1O)O)O)C(=O)OC[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5)O)O)O)OC(=O)c6cc(c(c(c6)O)O)O	GGP	beta-1,2,3,4,6-penta-o-galloyl-d-glucopyranose
+CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C	GGS	phosphonooxy-[(10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid
+Cc1cc2c(c(c3c(c2OC)[C@H](C[C@@H](C3=O)O)O[C@H]4C[C@@]([C@@H]([C@@H](O4)C)OC(=O)C)(C)O)O)c5c1[C@H]6[C@H]7[C@@](O5)([C@@]8(CO8)[C@@](O6)(O7)C(OC)OC)O[C@H]9C[C@H]([C@]([C@@H](O9)C)(C(=O)C)O)O	GGT	trioxacarcin a
+CC(C)(C)[C@@H](C(=O)N[C@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)N4C=CN(C4=O)Cc5cccc(n5)C(C)(C)O)O)NC(=O)OC	GGV	methyl [(1s)-1-{[(1r,3s,4s)-3-hydroxy-4-{[(2s)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1h-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC	GGW	methyl [(1s,4s,5s,7s,10s)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate
+Cc1cccc(n1)CN2C=CN(C2=O)[C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](C[C@@H](Cc4ccc(cc4)c5ccccn5)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)C(C)(C)C	GGX	methyl [(1s)-1-{[(1r,3s,4s)-4-{[(2s)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1h-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
+C[C@H](/C=C\C(F)(F)F)Oc1cc(ccc1C(=O)N)c2cc(cnc2N)c3cc(cs3)CN(C)C	GGY	4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{[(1r,2z)-4,4,4-trifluoro-1-methylbut-2-en-1-yl]oxy}benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)O[P@@](=O)(O4)O)N	GGZ	(2s,3ar,4r,6r,6ar)-4-(6-amino-9h-purin-9-yl)-6-({[(r)-hydroxy(sulfooxy)phosphoryl]oxy}methyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide
+COc1cccc(c1)C(=O)COc2ccc(cc2)CC3C(=O)NC(=O)S3	GH1	(5s)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
+CCOC(=O)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	GH2	ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
+c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	GH3	3'-deoxy-guanosine-5'-triphosphate
+[H]/N=C/c1ncc(c(n1)N(CCOc2ccccc2)Cc3ccc4c(c3)OCO4)F	GH4	4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile
+c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F	GH5	4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
+C1CO[C@@H]2[C@H]1[C@H](NO2)C(=O)O	GH7	(3s,3ar,6as)-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid
+CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5	GH8	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{h}-chromene-2,4'-piperidine]-6-yl)-~{n}-(phenylmethyl)benzamide
+C1C([C@@H]([C@H]([N@@]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O	GHA	1'-((1,4-dideoxy-1,4-imino-d-arabinitol)-4-n-ammonium)-1'-deoxy-l-erythritol-3'-sulfate inner salt
+CC(C)Cc1cn(nn1)c2ccc(cc2)C(=O)NCCC(F)(F)F	GHB	4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+CCc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	GHC	n-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-l-glutamic acid
+C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O	GHE	(2r)-1-[6-[(2r)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid
+C([C@@H](C(=O)O)N)[C@@H](C(=O)N)O	GHG	(2s,4s)-2,5-diamino-4-hydroxy-5-oxopentanoic acid (non-preferred name)
+C[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CSC)NC(=O)[C@H]1[C@H]2CCO[C@H]2ON1)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C	GHJ	(3r,3ar,6as)-n-[(4r,7s,8s,10r,13s)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide
+c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)N	GHK	4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide
+c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O	GHM	benzene-1,2,4-tricarboxylic acid
+CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F	GHN	ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
+c1cc(ccc1[C@H](C(=O)O)N)O	GHP	(2r)-amino(4-hydroxyphenyl)ethanoic acid
+c1ccc(cc1)C(=O)NCCC(F)(F)F	GHQ	~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+c1cc(ccc1NC(=O)O/N=C\2/[C@@H]([C@H]([C@@H]([C@H](N2)CO)O)O)O)Cl	GHR	[[(3s,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino] n-(4-chlorophenyl)carbamate
+[H]/N=C(\N)/NCCCCCC(=O)O	GHS	6-carbamimidamidohexanoic acid
+CN1CCc2cc(c(c3c2c1cc4c3cc(c(c4)O)OC)OC)O	GHT	boldine
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)OCC	GHU	ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate
+CN(C)c1ccc(cc1)/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO	GHV	(2s)-2-[[(e)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-n-[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide
+Cc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	GHW	n-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-l-glutamic acid
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3	GHX	(phenylmethyl) n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
+CC(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	GHY	propan-2-yl n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
+CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	GHZ	2-methylpropyl n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
+CO[C@@H](c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)O	GI1	methoxycarbonyl-substituted glucoimidazole
+COC(=O)Cc1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	GI2	methyl acetate-substituted glucoimidazole
+c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C(=O)O	GI3	carboxylate-substituted glucoimidazole
+c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)CC(=O)O	GI4	methyl acetic acid-substituted glucoimidazole
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)N	GI6	(2r)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)COC)C#N)C(C)C)C#N)N	GI8	(4~{s})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile
+c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3cccc(c3)F)C(=O)O	GIA	3-fluoro-n-(naphthalen-2-ylcarbonyl)-d-phenylalanine
+c1ccc2c(c1)c(c[nH]2)CC(=O)N(CCN)CC(=O)O	GIC	n-(2-aminoethyl)-n-(1h-indol-3-ylacetyl)glycine
+C1[C@@H]([C@@H]([C@@H](CN1)O)O)CO	GIF	d-galacto-isofagomine
+COC(=O)Nc1[nH]c2ccc(cc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	GIG	methyl (5-{4-[({[2-fluoro-5-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-1h-benzimidazol-2-yl)carbamate
+[H]/N=C(\c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccc(cc3C(=O)O)C(=O)NCC(C)C)F)N(C(C)C)C(C)C)F)/N	GIL	2-{[6-{3-[amino(imino)methyl]phenoxy}-4-(diisopropylamino)-3,5-difluoropyridin-2-yl]oxy}-5-[(isobutylamino)carbonyl]ben zoic acid
+c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	GIM	glucoimidazole
+CCCc1ccc(cc1C(F)(F)F)NC(=O)c2ccccc2NCC3=CNC(=O)C=C3	GIN	2-{[(6-oxo-1,6-dihydropyridin-3-yl)methyl]amino}-n-[4-propyl-3-(trifluoromethyl)phenyl]benzamide
+C1C[C@H]2C(=O)NCC(=O)N2C1	GIO	cyclo-(glycine-l-proline) inhibitor
+c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)I	GIP	s-(n-hydroxy-n-iodophenylcarbamoyl)glutathione
+Cn1c2ccc3c(c2nc1N)cccn3	GIQ	3-methyl-3h-imidazo[4,5-f]quinolin-2-amine
+c1c([nH]c(n1)N)[C@@H]([C@H](CN)Cl)O	GIR	girodazole
+CCOC(=O)[C@H](c1ccc(cc1C(=O)O)NC(=N)N)Cl	GIS	ethyl-(2-carboxy-4-guanidinium-phenyl)-chloroacetate
+CC(=O)Cn1c(c(nn1)c2ccccc2)COC(=O)NCc3ccccc3	GIT	[1-(2-oxopropyl)-4-phenyl-1h-1,2,3-triazol-5-yl]methyl benzylcarbamate
+C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O	GIV	beta-l-galactopyranose
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Ga+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C	GIX	protoporphyrin ix containing ga
+Cc1cc(ccc1OCc2cccc(n2)CO)OC	GJ1	{6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol
+c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)NCCC(F)(F)F	GJ2	4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
+CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	GJ5	4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+CCC(=O)N1C[C@@H]2C[C@H]1CN2c3ccc(c(n3)Oc4ccc(cc4)Oc5ccccc5)C(=O)N	GJ7	2-(4-phenoxyphenoxy)-6-[(1s,4s)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
+c1ccc(cc1)S(=O)(=O)NCc2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F	GJ8	4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+C=CC(=O)N[C@H]1CCN(C1)c2ccc(c(n2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N	GJA	6-[(3s)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
+c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O	GJB	1-(2-phenylethyl)pyrimidine-2,4,6(1h,3h,5h)-trione
+CCC(=O)N[C@H]1CCN(C1)c2ncc(c(n2)N)C(=O)N	GJD	4-amino-2-[(3s)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
+c1cc(ccc1C(=O)NCCC(F)(F)F)N=[N+]=[N-]	GJE	4-azido-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+c1cc(ncc1C(=O)N)NC2CCCCC2	GJG	6-(cyclohexylamino)pyridine-3-carboxamide
+CC(C)(C)NC(=O)c1ccc(cc1)Nc2c(ccc(n2)N3CC[C@@H](C3)NC(=O)C=C)C(=O)N	GJJ	6-[(3s)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide
+CC(=O)/C=C/c1ccc(c(c1)OC)O	GJK	(~{e})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
+Cc1c(ccc(c1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C	GJL	4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{h}-pyrazol-3-one
+CC(=O)Nc1cccc(c1)c2ccc(c3c2cc([nH]3)C(=O)NS(=O)(=O)c4ccc(cc4)OC)[N+](=O)[O-]	GJO	4-(3-acetamidophenyl)-n-(4-methoxyphenyl)sulfonyl-7-nitro-1h-indole-2-carboxamide
+c1ccc2c(c1)c(c(cn2)C(=O)O)O	GJP	4-hydroxyquinoline-3-carboxylic acid
+c1cc(ccc1[C@@H]2N=C(N=C(N2c3ccc(c(c3)Cl)Cl)N)N)[N+](=O)[O-]	GJQ	(2~{r})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{h}-1,3,5-triazine-4,6-diamine
+c1cnc(cc1OCC(F)F)Cn2cnc3c2nc(nc3N)Cl	GJR	9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine
+c1cc(c(cc1O)C(=O)O)C(=O)O	GJS	4-hydroxybenzene-1,2-dicarboxylic acid
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CO)C(=O)O	GJT	(3~{r},4~{r},5~{s})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid
+C[C@@H](c1cc(ccn1)OCC(F)F)n2cnc3c2nc(nc3N)Cl	GJU	9-[(1~{s})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCCNC(=[NH2+])N)O)O)N	GJV	9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-d-ribo-heptofuranosyl)-9h-purin-6-amine
+c1cc2n(c1)-c3ccc(cc3NC2=O)CN4CCCC4	GJW	7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5h)-one
+CC/C=C\C/C=C\C/C=C\CCCCCCCC[P@](=O)(OC)F	GJY	methyl-9z,12z,15z-octadecatrienylphosphonofluoridate
+c1ccc(cc1)[C@@H]2C[C@H]2N	GJZ	(1r,2s)-2-phenylcyclopropanamine
+c1c(cc(c(c1O)O)O)/C=N/NC(=O)c2cc(c(c(c2)O)O)O	GK0	3,4,5-tris(oxidanyl)-~{n}-[(~{e})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide
+Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4csc(n4)C=O)O	GK1	4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde
+B([C@@H]1CCCN1C(=O)[C@@H](C(C)C)N)(O)O	GK2	[(2~{r})-1-[(2~{r})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid
+Cc1ccc(cc1c2ccc(cc2)C(=O)Nc3cccc(c3)C#N)c4nnc(o4)C	GK3	n-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
+Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C	GK4	n-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
+Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CC4	GK5	n~3~-cyclopropyl-n~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
+Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)NC(=O)c4ccnc(c4)N5CCOCC5	GK6	n-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)C(=O)NS(=O)(=O)C6(CC6)C	GK7	methyl [(2s)-1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate
+c1c([nH]cn1)C[C@@H](CO[As](O)(O)O)N	GK8	{[(2s)-2-amino-3-(1h-imidazol-5-yl)propyl]oxy}(trihydroxy)-lambda~5~-arsanyl
+COc1ccc2c(c1)CCCN2c3c4c(cco4)nc(n3)Cl	GK9	1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C(C)(C)C)NC(=O)C)C(=O)NS(=O)(=O)C6(CC6)C	GKA	(2r,6s,12z,13as,14ar,16as)-6-[(n-acetyl-3-methyl-l-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-n-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5h)-carboxamide
+Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3ccc4c(c3)C[C@@H](C4)Nc5cncnc5)C(F)(F)F	GKB	(2~{r})-~{n}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{h}-indene-5-carboxamide
+C1CCC(CC1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	GKC	(2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(2~{r},3~{s},4~{r},5~{r},6~{r})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H](C(=O)[C@@H](O4)CO)O)O)O)O)N=C(NC2=O)N	GKD	guanosine 5'-diphosphate-4-keto-beta-l-gulose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N	GKE	guanosine 5'-diphosphate-beta-l-gulose
+c1cc(c2c(c1)c(n[nH]2)I)C=O	GKF	3-iodanyl-1~{h}-indazole-7-carbaldehyde
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C	GKG	1,1,1-trifluoro-2-methylpropan-2-yl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate
+c1cc2c(cc1O)sc(n2)/C=C/c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	GKH	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[[2-[(~{e})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate
+CCCCCOC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C	GKJ	pentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate
+C[N@]1CC[C@@H](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)Cl)C#N	GKK	2-chloro-4-{[(3s)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile
+CC(C)C[C@@H]([C@H](CN[C@@H](C(C)C)C(=O)O)O)N	GKL	n-[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-valine
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCCC6)C)C(=O)NS(=O)(=O)C7(CC7)C	GKM	1-methylcyclopentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O	GKN	3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid
+c1c(cc(c(c1)O)O)/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c2cc(c(cc2)O)O)C(=O)O	GKP	(2r,3r)-2,3-bis{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
+c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4CCCC4	GKQ	~{n}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
+[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O	GKR	d-glucarate
+C1[C@@H](O[C@@H]([C@H]1O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2=C(C(=O)NC(=N2)N)NC=O	GKS	1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-d-ribo-hexitol
+Cc1ccc(cc1I)C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4	GKT	3-iodanyl-4-methyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide
+C[C@H](Cc1ccc(cc1)O)NC	GKU	4-[(2r)-2-(methylamino)propyl]phenol
+COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO	GKW	1-[(4-methoxyphenyl)methyl]-~{n}-oxidanyl-indole-6-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCC2CCCCC2	GKX	(2~{s})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid
+CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC	GKY	n-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-n-propylpropan-1-amine
+Cc1c(c([nH]n1)c2ccc(cc2O)OCC[NH+]3CCC(CC3)C(=O)N)c4ccc(cc4)Cl	GKZ	1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{h}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide
+C([C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O	GL0	beta-d-gulopyranose
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O	GL1	1-o-phosphono-alpha-d-galactopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)N)O)O)O)O	GL2	(5s,7r,8s,9s,10r)-3-amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
+C(C(=O)S)N	GL3	thioglycin
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=S)N2)O)O)O)O	GL4	(5s,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)O)O)O)O)O	GL5	(5s,7r,8s,9s,10r)-3,8,9,10-tetrahydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
+COP(=O)(N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC	GL6	n-(dimethoxyphosphoryl)-beta-d-glucopyranosylamine
+CN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O	GL7	8,9,10-trihydroxy-7-hydroxymethyl-3-methyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione
+COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N+](=C2)CCCCCCCCN5C(=O)c6ccccc6C5=O)C=C[C@@H](C4)O	GL8	galanthamine derivative
+CC(=O)NN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O	GL9	n-[(5s,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	GLA	alpha-d-galactopyranose
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	GLB	beta-d-galactose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	GLC	alpha-d-glucopyranose
+C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)O)O	GLD	4,6-dideoxy-alpha-d-xylo-hexopyranose
+CCCCCCCCCCOCC(COCC(F)(F)F)O[P@@](=O)(O)OC	GLE	1-decyl-3-trifluoro ethyl-sn-glycero-2-phosphomethanol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)O	GLF	alpha-d-glucopyranosyl fluoride
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C(=O)N)O)O)O)O	GLG	alpha-d-glucopyranosyl-2-carboxylic acid amide
+C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)CC[C@@H](C(=O)O)N	GLH	n-5-cyclohexyl-n-5-[(cyclohexylamino)carbonyl]glutamine
+CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)CC[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O	GLI	ala-ala-phe-psi((s)-choh-ch2)-gly-val-val-ome
+C(CC(O)O)[C@@H](C(=O)O)N	GLJ	5,5-dihydroxy-l-norvaline
+C(CC(=O)O)[C@@H](C(O)O)N	GLK	(4s)-4-amino-5,5-dihydroxypentanoic acid
+C12C(NC(=O)N1)NC(=O)N2	GLL	glycoluril
+CC(=O)CN	GLM	1-amino-propan-2-one
+C(CC(=O)N)[C@@H](C(=O)O)N	GLN	glutamine
+C(CC(=O)N)[C@@H](C(=O)[O-])[NH-]	GLN_LEO2	l-glutamine c-terminal deprotonated fragment
+C(CC(=O)N)[C@@H](C(=O)O)[NH-]	GLN_LEO2H	l-glutamine c-terminal protonated fragment
+C(CC(=O)N)[C@@H](C(=O)O)N	GLN_LFOH	l-glutamine free neutral
+C(CC(=O)N)[C@@H](C(=O)[O-])[NH3+]	GLN_LFZW	l-glutamine free zwitterion
+C(CC(=O)N)[C@@H]([C-]=O)[NH-]	GLN_LL	l-glutamine - linking embedded fragment
+C(CC(=O)N)[C@@H]([C-]=O)[NH3+]	GLN_LSN3	l-glutamine n-terminal protonated fragment
+C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O	GLO	d-glucose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O	GLP	2-amino-2-deoxy-6-o-phosphono-alpha-d-glucopyranose
+C(CC(=O)O)C(C=O)N	GLQ	4-amino-5-oxo-pentanoic acid
+C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-]	GLR	2,3-dihydroxy-5-oxo-hexanedioate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)O)O	GLS	beta-d-glucopyranose spirohydantoin
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)O)O)O)O)O	GLT	5-thio-alpha-d-glucopyranose
+C(CC(=O)O)[C@@H](C(=O)O)N	GLU	glutamic acid
+C(CC(=O)O)[C@@H](C(=O)[O-])[NH-]	GLU_LEO2	l-glutamic acid c-terminal deprotonated fragment
+C(CC(=O)O)[C@@H](C(=O)O)[NH-]	GLU_LEO2H	l-glutamic acid c-terminal protonated fragment
+C(CC(=O)[O-])[C@@H](C(=O)O)[NH-]	GLU_LEO2H_DHE2	l-glutamic acid-c-terminal protonated fragment/with side chain deprotonated oe2
+C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH-]	GLU_LEO2_DHE2	l-glutamic acid-c-terminal deprotonated fragment/with side chain deprotonated oe2
+C(CC(=O)O)[C@@H](C(=O)O)N	GLU_LFOH	l-glutamic acid free neutral
+C(CC(=O)[O-])[C@@H](C(=O)O)N	GLU_LFOH_DHE2	l-glutamic acid-free neutral/with side chain deprotonated oe2
+C(CC(=O)O)[C@@H](C(=O)[O-])[NH3+]	GLU_LFZW	l-glutamic acid free zwitterion
+C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH3+]	GLU_LFZW_DHE2	l-glutamic acid-free zwitterion/with side chain deprotonated oe2
+C(CC(=O)O)[C@@H]([C-]=O)[NH-]	GLU_LL	l-glutamic acid - linking embedded fragment
+C(CC(=O)[O-])[C@@H]([C-]=O)[NH-]	GLU_LL_DHE2	l-glutamic acid-linking embedded fragment/with side chain deprotonated oe2
+C(CC(=O)O)[C@@H]([C-]=O)[NH3+]	GLU_LSN3	l-glutamic acid n-terminal protonated fragment
+C(CC(=O)[O-])[C@@H]([C-]=O)[NH3+]	GLU_LSN3_DHE2	l-glutamic acid-n-terminal protonated fragment/with side chain deprotonated oe2
+C(=O)C(=O)O	GLV	glyoxylic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	GLW	6-deoxyglucose
+*=C(*)CC[C@@H](C(=O)O)N	GLX	glu/gln ambiguous
+C(C(=O)O)N	GLY	glycine
+C(C(=O)[O-])[NH-]	GLY_LEO2	l-glycine c-terminal deprotonated fragment
+C(C(=O)O)[NH-]	GLY_LEO2H	l-glycine c-terminal protonated fragment
+C(C(=O)O)N	GLY_LFOH	l-glycine free neutral
+C(C(=O)[O-])[NH3+]	GLY_LFZW	l-glycine free zwitterion
+C([C-]=O)[NH-]	GLY_LL	l-glycine - linking embedded fragment
+C([C-]=O)[NH3+]	GLY_LSN3	l-glycine n-terminal protonated fragment
+C(C=O)N	GLZ	amino-acetaldehyde
+C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O	GM0	4-o-phosphono-l-glycero-alpha-d-manno-heptopyranose
+C(C(=O)N)N	GM1	aminomethylamide
+CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](CCCCCCCCCCCCCCCC)O	GM2	n-[(1s,2s)-2-hydroxy-1-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)octadecyl]octadecanamide
+CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCCCCC)O	GM3	n-{1-[(hexopyranosyloxy)methyl]-2-hydroxynonadecyl}tetracosanamide
+C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(CCN2CC=C(C)C)C)O	GM4	(2s,6s,11s)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
+c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO	GM5	~{n}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NC	GM6	3-(n-hydroxycarboxamido)-2-isobutylpropanoyl-trp-methylamide
+c1cc(c(cc1N)C(=O)O)C(=O)O	GM7	4-aminobenzene-1,2-dicarboxylic acid
+CC[C@@H]([C@@H]1CCCC[C@@H]1N)C(=O)O	GM8	(2s)-2-[(1s,2s)-2-aminocyclohexyl]butanoic acid
+CC(C)(C)c1ccc(cc1)CN(Cc2cccc(c2)OCC(=O)O)S(=O)(=O)c3cccnc3	GM9	2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid
+C(CC(=O)O)[C@@H](C(=O)N)N	GMA	4-amido-4-carbamoyl-butyric acid
+C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O	GMB	1,7-di-o-phosphono-l-glycero-beta-d-manno-heptopyranose
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O	GMC	(2r,3r,4s,5s)-4-amino-2-[6-(dimethylamino)-9h-purin-9-yl]-5-(hydroxymethyl)tetrahydro-3-furanol
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCCCO	GMD	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol
+COC(=O)CC[C@@H](C(=O)O)N	GME	5-o-methyl-glutamic acid
+[H]/N=C(\N)/N[C@H](c1ccncc1)c2cccc(c2)c3cccc(c3)OC	GMF	2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine
+c1ccc2cc(ccc2c1)c3cc4c(c[nH]c4nc3)c5ccc(cc5)CC(=O)O	GMG	[4-(5-naphthalen-2-yl-1h-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid
+C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O	GMH	l-glycero-alpha-d-manno-heptopyranose
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(CP(=O)(O)O)O	GMI	[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid
+c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F	GMJ	4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
+COc1cccc(c1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4cccc(c4)OC)OS(=O)(=O)O)CO)O	GMK	(3-deoxy-3-(3-methoxy-benzamido)-b-d-galactopyranosyl)-(3-deoxy-3-(3-methoxy-benzamido)-2-o-sulfo-b-d-galactopyranosyl)-sulfide
+CCCCCCCCCCCCCCCCCC\C=C/CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	GMM	glucose monomycolate
+CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC	GMN	2,2',2"-[1,2,3-benzene-triyltris(oxy)]tris[n,n,n-triethylethanaminium]
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)N1CC(=O)O)N)O	GMO	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N	GMP	guanosine
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc(c3CO)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C(=O)N6CCOCC6)C	GMQ	6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one
+CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C	GMR	3-ethyl-4-methyl-n-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1h-pyrrole-1-car boxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)[SeH])O)N=C(NC2=O)N	GMS	2'-deoxyguanosine-5'-monoselenophosphate
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H](CC(=O)O)C(=O)O)CO)O)O	GMT	(2s)-2-{[2-acetamido-2-deoxy-alpha-d-glucopyranosyl]oxy}butanedioic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCNC(N)N	GMU	2'-o-[(2-guanidinium)ethyl]-5-methyluridine 5'-monophosphate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N=C(NC2=O)N	GMV	guanosine-5'-phosphovanadate
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc4c3C[C@@H](CC5=C4C=C(C(=O)N5C)Nc6ccc(cn6)C(=O)N7CCOCC7)O	GMW	(9~{s})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one
+C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O)OP(=O)(O)O	GMX	2-amino-9-(6-deoxy-5-o-phosphono-beta-d-allofuranosyl)-3,9-dihydro-6h-purin-6-one
+C[C@@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC	GMY	geldanamycin
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O	GMZ	1,7-di-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl	GN0	(2~{r})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O	GN1	2-acetamido-2-deoxy-1-o-phosphono-alpha-d-glucopyranose
+c1ccc(c(c1)SC2=C(C[C@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl	GN2	(2~{s})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(NP(=O)(O)O)O)O)N=C(NC2=O)N	GN3	[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)O	GN4	2-acetamido-2-deoxy-4-o-phosphono-beta-d-glucopyranose
+CC(C)(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2	GN5	2-(4-tert-butylphenyl)-1h,2h,3h,4h-pyrido(2,3-d)pyrimidin-4-one
+c1cc(c(c(c1)Cl)Cl)c2cccc3n2nc(n3)N	GN6	5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)NC(=N2)N	GN7	n7-2'-deoxy-guanosine-5'-monophosphate
+c1ccc(cc1)CN2C(=O)/C(=C/c3cccc(c3O)[N+](=O)[O-])/SC2=S	GN8	(z)-3-benzyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one
+CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CCC(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C	GN9	gallinamide a, bound form
+CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)NC(=N)N	GNA	2,4-deoxy-4-guanidino-5-n-acetyl-neuraminic acid
+c1cc(ccc1COC(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	GNB	s-p-nitrobenzyloxycarbonylglutathione
+CN[C@@H](CCC(=O)N)C(=O)O	GNC	n~2~-methyl-l-glutamine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH3+]	GND	2-amino-5-guanidino-pentanoic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NC=CN4C2=O	GNE	1,n2-ethenoguanine
+COc1ccc(cc1)NCCNC(=O)[C@H](CC2CCCCC2)Nc3nc4ccccc4o3	GNF	n~2~-1,3-benzoxazol-2-yl-3-cyclohexyl-n-{2-[(4-methoxyphenyl)amino]ethyl}-l-alaninamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N	GNG	2'-deoxy-guanosine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=C(NC2=O)N	GNH	aminophosphonic acid-guanylate ester
+c1ccc(cc1)c2c(c(no2)c3cccc(c3)CC(=O)O)C(=O)NCCOc4ccc(cc4Cl)Cl	GNI	(3-{4-[2-(2,4-dichloro-phenoxy)-ethylcarbamoyl]-5-phenyl-isoxazol-3-yl}-phenyl)-acetic acid
+c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O	GNJ	4-hydroxy-8-sulfoquinoline-3-carboxylic acid
+c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)Cl	GNK	(1~{s},5~{r})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
+CC1=N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O	GNL	(3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O	GNM	8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(cc(c1)OCC(=O)O)CN(Cc2ccc(cc2)n3cccn3)S(=O)(=O)c4cccnc4	GNO	2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N	GNP	phosphoaminophosphonic acid-guanylate ester
+C[C@@H](CNc1ccc(cc1)OC(F)(F)F)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2)NC(=O)N3CCOCC3	GNQ	n-[(1r)-1-[(benzylsulfonyl)methyl]-2-{[(1s)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide
+c1ccc2c(c1)NC(=O)[C@H](S2)CC(=O)NO	GNR	2-(3,4-dihydro-3-oxo-2h-benzo[b][1,4]thiazin-2-yl)-n-hydroxyacetamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)O	GNS	2-deoxy-2-(sulfoamino)-alpha-d-glucopyranose
+C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O	GNT	(-)-galanthamine
+COc1cc(ccc1O)C[C@H](CO)[C@H](Cc2ccc(c(c2)OC)O)CO	GNU	(2s,3s)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol
+c1cc2c(c(c1)C(=O)O)ncc(c2O)C(=O)O	GNV	4-hydroxyquinoline-3,8-dicarboxylic acid
+c1cc(cc(c1)Cl)CN2CCNCC2	GNW	1-[(3-chlorophenyl)methyl]piperazine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)O	GNX	2-deoxy-3-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose
+CC(C)c1cccc2c1ncc(c2O)C(=O)O	GNY	4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid
+c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)C(F)(F)F	GNZ	(1~{s},5~{r})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one
+c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)Cl	GO0	3-(carboxymethyl)-4,7-dichloro-1h-indole-2-carboxylic acid
+c1c(cc(c2c1c(c([nH]2)C(=O)O)CC(=O)O)Cl)Cl	GO1	3-(carboxymethyl)-5,7-dichloro-1h-indole-2-carboxylic acid
+[H]/N=C(/N)\Nc1nc2ccccc2s1	GO2	1-(1,3-benzothiazol-2-yl)guanidine
+c1cc(ccc1CCN2[C@@H]3CCC[C@H]2CC(=O)C3)Cl	GO5	(1~{r},5~{s})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
+COc1cc(ccc1O)C[C@@H](CO)[C@@H](Cc2ccc(c(c2)OC)O)CO	GO6	(2r,3r)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol
+CC(C)(COc1ccc(c(c1)O[C@H]2CCN(C[C@H]2F)C(=O)Cc3ccc(cc3)OC(F)(F)F)C(=O)N)O	GO7	2-{[(3r,4s)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide
+CC(C)Sc1[nH]c2c(ncnc2n1)N	GO8	8-propan-2-ylsulfanyl-7~{h}-purin-6-amine
+C(COCCOCC(CO)(COCCO)COCCO)O	GO9	3-(2-hydroxyethyloxy)-2-[2-(2-hydroxyethyloxy)ethoxymethyl]-2-(2-hydroxyethyloxymethyl)propan-1-ol
+C(C(=O)O)O	GOA	glycolic acid
+COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)N(c2ccccc2)c3ccc(cc3)N)OC	GOB	4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid
+Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5	GOC	n-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
+CNC(=O)c1cc(c(nc1)N)O[C@H]2CN(CC2(F)F)C(=O)Cc3ccc(cc3)OC(F)(F)F	GOD	6-amino-5-{[(3s)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-n-methylpyridine-3-carboxamide
+CCCNC(=O)Nc1cccc(n1)C	GOE	1-(6-methylpyridin-2-yl)-3-propyl-urea
+COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5	GOF	n-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
+c1cc(c(c(c1)O)C(=O)O)C(=O)O	GOG	3-hydroxybenzene-1,2-dicarboxylic acid
+c1ccn(c1)c2c(nc(o2)C3CC3)c4[nH]nnn4	GOH	5-[2-cyclopropyl-5-(1h-pyrrol-1-yl)-1,3-oxazol-4-yl]-1h-1,2,3,4-tetrazole
+c1ccc2c(c1)C=Cc3ccccc3N2CCCN4CCN(CC4)CCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	GOI	2-{4-[3-(5h-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethyl beta-d-glucopyranoside
+CCOC(=O)c1c[nH]nc1	GOJ	ethyl 1~{h}-pyrazole-4-carboxylate
+Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO	GOK	2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{n}-oxidanyl-pyrimidine-5-carboxamide
+C(C(CO)O)O	GOL	glycerol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)([O-])OC[C@H](CCC(=O)[O-])[NH3+])O)O)N	GOM	glutamol-amp
+c1ccc(cc1)c2cn[nH]c2c3ccc(cc3O)OCCN4CCC(CC4)C(=O)N	GON	1-[2-[3-oxidanyl-4-(4-phenyl-1~{h}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide
+CO[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N	GOO	(1r,2r,3r,4s,5r)-4-amino-5-methoxycyclopentane-1,2,3-triol
+C(CC(=O)N)[C@@H](C(=O)O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	GOP	glucopine
+COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]	GOQ	8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
+C([C@H]([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O	GOS	d-glucitol-1,6-bisphosphate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC	GOT	phospholipid pg(16:0/cy17:0)
+CC(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N	GOU	6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine
+C[C@@H](CNCc1ccc2c(c1)OCO2)O	GOV	(2s)-1-{[(2h-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol
+Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO	GOW	3-benzamido-4-methyl-~{n}-oxidanyl-benzamide
+C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O	GOX	(2s,3s,4r,5r)-6-(hydroxyamino)-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
+C1CCN(CC1)C(=O)N2CCCCC2	GOY	di(piperidin-1-yl)methanone
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(nc(c3)N)N)N	GOZ	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@]([C@@H]([C@H](O2)CO)O)(CO)O)O)F	GP0	5-fluoro-1-[3-c-(hydroxymethyl)-beta-d-glucopyranosyl]pyrimidine-2,4(1h,3h)-dione
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O	GP1	2-amino-2-deoxy-1-o-phosphono-alpha-d-glucopyranose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N	GP2	phosphomethylphosphonic acid guanosyl ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N	GP3	diguanosine-5'-triphosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)OP(=O)(O)O)O	GP4	2-amino-2-deoxy-4-o-phosphono-alpha-d-glucopyranose
+c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N	GP5	diguanosine-pentaphosphate
+[H]/N=C(\c1ccc(cc1)NC(=O)Nc2ccc(cc2)Cl)/N	GP6	1-(4-amidinophenyl)-3-(4-chlorophenyl)urea
+CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCC=CC/C=C/CCC	GP7	(1r)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12e)-hexadeca-9,12-dienoate
+c1ccc(cc1)Oc2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=N)N	GP8	1-(2-amidinophenyl)-3-(phenoxyphenyl)urea
+C(C(COP(=O)([O-])[O-])O)O	GP9	(2r)-2,3-dihydroxypropyl phosphate
+[H]/N=C(/N)\NC[C@@H](C(=O)O)N	GPA	2-amino-3-guanidino-propionic acid
+Cc1c2c(c[nH]c2nc(n1)N)CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	GPB	n-[4-[2-(2-amino-4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoyl]glutamic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N	GPC	2'-fluoroguanylyl-(3'-5')-phosphocytidine
+C[C@@H]1[C@H](C[C@@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)N	GPD	(2r,3s,5s,6r)-5-amino-3-hydroxy-6-methyl-oxan-2-yl
+C(CO[P@](=O)(O)OC[C@@H](CO)O)N	GPE	l-alpha-glycerophosphorylethanolamine
+C(C(=O)O)NCP(=O)(O)O	GPF	n-(phosphonomethyl)glycine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5N=C(NC6=O)N)CO)O)O)O)N=C(NC2=O)N	GPG	guanylyl-2',5'-phosphoguanosine
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O	GPH	4-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc2cccnc2	GPI	(2s)-[3-pyridyl-1-propyl]-1-[3,3-dimethyl-1,2-dioxopentyl]-2-pyrrolidinecarboxylate
+C(C(=O)O)[NH2+]CP(=O)(O)O	GPJ	glyphosate
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F	GPK	5-fluoro-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H](C(=O)O)N)O)O)O)N=C(NC2=O)N	GPL	lysine guanosine-5'-monophosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)CP(=O)(O)O)O)O)O)O	GPM	(1s)-1,5-anhydro-1-(phosphonomethyl)-d-glucitol
+c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O)N=C(NC2=O)N	GPN	2-aminoethylglycine-carbonylmethylene-guanine
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O	GPO	4-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C	GPP	geranyl diphosphate
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl	GPQ	5-chloro-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GPR	(9r,10r)-9-(s-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene
+c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GPS	l-gamma-glutamyl-s-[(9s,10s)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-l-cysteinylglycine
+C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCF)O	GPT	(2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br	GPU	5-bromo-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)I	GPV	1-(beta-d-glucopyranosyl)-5-iodopyrimidine-2,4(1h,3h)-dione
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F	GPW	1-(beta-d-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dione
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N	GPX	guanosine 5'-diphosphate 2':3'-cyclic monophosphate
+CC(C)(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N	GQ0	9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OS(=O)(=O)O)O	GQ1	4-o-sulfo-alpha-d-glucopyranose
+CC(C)(C)C1=NOC(C1)Cn2cnc3c2nc(nc3Cl)N	GQ3	9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
+C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C	GQ5	1-methyl-~{n}-[2-[[(2~{s})-2-methylpyrrolidin-1-yl]methyl]-3~{h}-benzimidazol-5-yl]indazole-5-carboxamide
+Cc1ccc(cc1)Cn2cnc3c2nc(nc3Cl)N	GQ6	6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine
+c1cc(ccc1c2ccc(o2)CO)N	GQ7	[5-(4-aminophenyl)furan-2-yl]methanol
+C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C6CC6	GQ8	1-cyclopropyl-~{n}-[2-[[(2~{s})-2-methylpyrrolidin-1-yl]methyl]-3~{h}-benzimidazol-5-yl]indazole-5-carboxamide
+c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N	GQ9	6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine
+CN1C=CC=C(C1=S)O	GQA	1-methyl-3-oxidanyl-pyridine-2-thione
+c1ccc2c(c1)cc([nH]2)C(=O)NCc3ccc4c(c3)S=C(N4)N	GQB	~{n}-[(2-azanyl-3~{h}-1,3-benzothiazol-6-yl)methyl]-1~{h}-indole-2-carboxamide
+Cc1cccc(c1)C2CCC(CC2)[NH+]3CCN(CC3)c4cc(cnc4)Br	GQC	1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium
+C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)C)c3ccc(cc3)/C=C/C(=O)O)O	GQD	(e)-3-[4-[(1r,3r)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1h-isoquinolin-1-yl]phenyl]prop-2-enoic acid
+COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO	GQE	3-benzamido-4-methoxy-~{n}-oxidanyl-benzamide
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccccc3	GQG	n,n-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine
+C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-]	GQH	(2~{s})-~{n}-[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
+COC(=O)[C@@H]1C[C@H](CN1C(=O)c2ccco2)O	GQJ	methyl (2~{s},4~{r})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C(C)(C)O)O)NC(=O)CN3CCOCC3	GQK	(2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{r})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+COc1cccc(c1)/C(=C/2\C=Nc3c2c(ccn3)c4cc(cc(c4)F)F)/O	GQL	(e)-[4-(3,5-difluorophenyl)-3h-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
+COc1ccc(c(c1)O)c2cc[nH]n2	GQM	5-methoxy-2-(1~{h}-pyrazol-3-yl)phenol
+COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO	GQN	4-methoxy-~{n}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(=O)N(C)C	GQO	2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n,n-dimethylethane-1-sulfonamide
+c1ccc2c(c1)ncn2Cc3ccc(cc3)F	GQP	1-[(4-fluorophenyl)methyl]benzimidazole
+CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)c2cnccn2	GQQ	~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide
+c1ccc2c(c1)CC[C@@H]2N	GQR	(1~{s})-2,3-dihydro-1~{h}-inden-1-amine
+Cc1nnc(s1)Nc2cccc(c2)F	GQS	n-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
+CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-]	GQT	(2~{s})-~{n}-[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
+c1c(cc(cc1F)F)CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O	GQU	(3~{s},3~{a}~{s},6~{a}~{r})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{h}-cyclopenta[c]pyrrole-3-carboxamide
+CN1C=CC=C(C1=O)O	GQV	1-methyl-3-oxidanyl-pyridin-2-one
+c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO	GQW	~{n}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
+COc1cc(ccc1N)N2CCOCC2	GQY	2-methoxy-4-morpholin-4-yl-aniline
+c1ccc(cc1)NC(=O)c2cccc(c2)C(=O)NO	GQZ	~{n}1-oxidanyl-~{n}3-phenyl-benzene-1,3-dicarboxamide
+CC(=CCC/C(=C/CCC(=CCCC(=CCOP(=O)(O)O)C)C)/C)C	GR0	geranylgeranyl monophosphate
+CCN(CC)C(=O)c1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O	GR1	6-carbamimidoyl-2-[5-(3-diethylcarbamoyl-phenyl)-2-hydroxy-indan-1-yl]-hexanoic acid
+CC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3Cc4ccccc4[C@H]3OC2=O	GR2	(3e,3ar,8bs)-3-({[(2r)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2h-indeno[1,2-b]furan-2-one
+CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O)OC(=O)C)C)C)C)O)C	GR3	3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-16-hydroxy-4,10,13,14-tetramethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-4-carboxylic acid
+CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]2([C@]1([C@H](C[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)OC(=O)C)C)O)C)CO)O)C	GR4	r3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-12,16-dihydroxy-14-hydroxymethyl-4,10,13-trimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-4-carboxylic acid idopyranosyl ester
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3[C@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	GR5	(2ar,4s,4ar,7ar,7br)-octahydro-2h-1,7-dioxacyclopenta[cd]inden-4-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
+COc1ccc2c(c1)OCC\C=C\CCCCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	GR6	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-1-benzyl-2-hydroxy-3-[(7e)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2h-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate
+COc1ccc2c(c1)COC/C=C/CCCCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	GR7	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[(7e)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3h)-yl]-1-phenylbutan-2-yl}carbamate
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@@H]3[C@@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	GR8	(2as,4r,4as,7as,7bs)-octahydro-2h-1,7-dioxacyclopenta[cd]inden-4-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4cccnc4)N	GR9	3-amino-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-n-pyridin-3-ylpyrazine-2-carboxamide
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O	GRA	glutaryl-coenzyme a
+C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)OP(=O)(O)O	GRB	8-bromoguanosine 5'-(dihydrogen phosphate)
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N	GRC	5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
+CC[C@@H]([C@@H](C(=O)NCCCn1cnc2c1ncnc2N)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3	GRD	benzyl (s)-1-((2s,3s)-1-(3-(6-amino-9h-purin-9-yl)propylamino)-2-hydroxy-1-oxopentan-3-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate
+c1cc(c(c(c1)O)C(=O)O)O	GRE	2,6-dihydroxybenzoic acid
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O	GRF	5-o-phosphono-beta-d-ribofuranosylamine
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C	GRG	geranylgeranyl diphosphate
+C[C@H](c1ccccc1)C(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl	GRH	(2~{r})-~{n}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide
+COc1ccc(c2c1nc3c(cccc3n2)C(=O)O)C=O	GRI	6-formyl-9-methoxyphenazine-1-carboxylic acid
+COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO	GRK	4-methoxy-~{n}-oxidanyl-3-(2-phenylethanoylamino)benzamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)c4ccc(cc4)CO	GRL	(3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl (2s,3s)-3-hydroxy-4-(4-(hydroxymethyl)-n-isobutylphenylsulfonamido)-1-phenylbutan-2-ylcarbamate
+C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc5c(c4)OCO5	GRM	n-(1,3-benzodioxol-5-ylmethyl)-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
+C[C@@](c1ccccc1)(C(=O)O)N	GRN	2-phenyl-l-alanine
+C[C@H](c1ccccc1)C(=O)O	GRO	r-2-phenyl-proprionic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\[C@H]2C[C@@H]([C@H](O[C@@H]2C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O	GRP	 [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,5s,6r)-3-hydroxy-5-{[(1z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+CC(=CCC/C(=C/C=O)/C)C	GRQ	geranaldehyde
+CCc1ccc(cc1)O[C@@H](Cc2ccccc2)C(=O)O	GRR	(2s)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
+CC(C)C[C@@H](C(=O)NCC(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-]	GRT	(2~{s})-~{n}-[2-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
+Cc1c(n2ccccc2n1)C(=O)NCC(C)C	GRV	2-methyl-~{n}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
+C[C@H]([C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)N=[N+]=[N-])O	GRW	(2~{s})-~{n}-[(2~{s},3~{r})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{r})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C@@H](F)P(=O)(O)O)O)O)O)O	GRX	(1r)-1,5-anhydro-1-[(s)-fluoro(phosphono)methyl]-d-glucitol
+Cc1cc(nc(n1)Nc2ccc(cc2)N)C	GRY	~{n}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
+c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F	GRZ	1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{n}-oxidanyl-1,2,3-triazole-4-carboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)S)O)N=C(NC2=O)N	GS	guanosine-5'-thio-monophosphate
+CC[C@@H]1[C@H](C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C	GS0	bacteriochlorophyll a isomer
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O	GS1	1-thio-beta-d-glucopyranose
+CNC(=O)c1c(cccc1F)Nc2c3cc[nH]c3nc(n2)Nc4cc5c(ccn5C(=O)CN(C)C)cc4OC	GS2	2-[(2-{[1-(n,n-dimethylglycyl)-5-methoxy-1h-indol-6-yl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-n-methylbenzamide
+CC(C)N1CCN(CC1)c2ccc(c(c2)OC)Nc3nc4c(cc[nH]4)c(n3)Nc5cccc(c5C(=O)N)F	GS3	2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O	GS4	4-thio-beta-d-glucopyranose
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4s3)Cl	GS5	5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4ccc(cc4s3)Cl	GS6	6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide
+COc1cc(ccc1Nc2nc3c(cc[nH]3)c(n2)Nc4cccc(c4C(=O)N)F)CS(=O)(=O)C	GS7	2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
+C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GS8	s-hydroxy-glutathione
+c1ccc2cc(ccc2c1)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	GS9	naphthalen-2-yl 1-thio-beta-d-galactopyranoside
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O	GSA	o4-sulfonylgalactose
+c1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GSB	s-benzyl-glutathione
+CCS[C@@H](C(=O)O)N	GSC	2-ethylthio glycine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O	GSD	4-thio-d-glucose
+C([C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O)O	GSE	l-alpha-glycerophosphorylserine
+C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GSF	l-gamma-glutamyl-3-sulfino-l-alanylglycine
+CCc1ccccc1NC(=O)Oc2ccc3c(c2)[C@]4(CC[N@+]([C@@H]4[N@]3C)(C)[O-])C	GSG	1s,3as,8as-trimethyl-1-oxido-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl 2-ethylphenylcarbamate
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GSH	glutathione
+CN(C)Cc1nccn1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl	GSI	2-(5-chlorothiophen-2-yl)-n-[(3s)-1-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide
+CC(C)N(CCNS(=O)(=O)C)C(=O)[C@H](C)N1CC[C@@H](C1=O)NS(=O)(=O)c2ccc3cc(ccc3c2)Cl	GSJ	1-pyrrolidineacetamide, 3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-alpha-methyl-n-(1-methylethyl)-n-[2-[(methylsulfonyl)amino]ethyl]-2-oxo-, (alphas,3s)-
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl	GSK	6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-(4-morpholinyl)-2-oxo ethyl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide
+CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O	GSL	(2s,3r)-3-hydroxy-2-(tetradecanoylamino)octadecyl alpha-d-galactopyranosiduronic acid
+CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GSM	l-gamma-glutamyl-s-methylcysteinylglycine
+C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N	GSN	2-amino-5-[1-(carboxylatomethylcarbamoyl)-2-nitrososulfanyl-ethyl]amino-5-oxo-pentanoate
+c1ccc(cc1)[C@@H](CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O	GSO	l-gamma-glutamyl-s-[(2s)-2-hydroxy-2-phenylethyl]-l-cysteinylglycine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N	GSP	5'-guanosine-diphosphate-monothiophosphate
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4[nH]3)Cl	GSQ	5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-sulfonamide
+c1ccc(cc1)[C@H](CO)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2	GSR	2'-deoxy-n2-(r)styrene oxide guanosine monophosphate
+c1ccc(cc1)[C@@H](CO)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2	GSS	2'-deoxy-n2-(s)styrene oxide guanosine monophosphate
+CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C	GST	geranyl s-thiolodiphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N	GSU	o5'-(l-glutamyl-sulfamoyl)-adenosine
+CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl	GSV	2-(5-chlorothiophen-2-yl)-n-{(3s)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@H](C(=O)O)N	GSW	d-gamma-glutamyl-l-cysteinylglycine
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc(s3)c4ccc(s4)Cl	GSX	5'-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-2,2'-bithiophene-5-sulfonamide
+C(CO)n1c2c(nc1S)N=C(NC2=O)N	GSY	7-(2-hydroxyethyl)-8-mercaptoguanine
+CC(C)C(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3	GSZ	n-[(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide
+Cc1c(c(c(cn1)CO)COC)O	GT0	5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)COC)O	GT1	[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+c1cc(c(cc1C(=O)NO)NC(=O)c2ccc(cc2Cl)Cl)Cl	GT2	4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{n}-oxidanyl-benzamide
+C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)O	GT3	2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-n-[(2r,3r)-1,3-bis(oxidanyl)butan-2-yl]ethanamide
+COCC(=O)Nc1ccc(cc1)O	GT4	~{n}-(4-hydroxyphenyl)-2-methoxy-ethanamide
+Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](COC)C(=O)N[C@H](CCS(=O)(=O)C)Cc2ccc(cc2)CN	GT5	~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
+CC[C@@H](C(=O)N1C[C@H](C[C@H]1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)F)O)NC(=O)[C@H](C)NC	GT6	(2s,2's)-n,n'-[(6,6'-difluoro-1h,1'h-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2r,4s)-4-hydroxypyrrolidine-2,1-diyl][(2s)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide]
+C1CCC(CC1)NC(=O)CC#N	GT7	2-cyano-~{n}-cyclohexyl-ethanamide
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CCC2CCCCC2)[C@H](C(C)(C)O)O)NC(=O)CN3CCOCC3	GT8	(2~{s})-~{n}-[(3~{s},4~{r})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+CCCCCCCCCSC[C@@H](C(=O)O)N	GT9	s-nonyl-cysteine
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	GTA	p1-7-methylguanosine-p3-adenosine-5',5'-triphosphate
+c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	GTB	s-(p-nitrobenzyl)glutathione
+C1CC[C@H]([C@H](C1)C2=NNC(=S)N2)C(=O)O	GTC	(1r,2s)-2-(5-thioxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid
+C1=C(C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	GTD	1-(s-glutathionyl)-2,4,6-trinitrocyclohexa-2,5-diene
+[OH]	GTE	glucose 4-o4 group
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F	GTF	2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate)
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O	GTG	7-methyl-guanosine-5'-triphosphate-5'-guanosine
+C[C@H]([C@@H](C(=O)O)N)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C	GTH	3-o-glucopyranosyl-threonine-[2-deoxy-2-acetamido-glucopyranoside]
+c1ccc(cc1)c2nc(sn2)N3CCNCC3	GTI	1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine
+CCCn1c2ccccc2nc1NC(=O)CC	GTJ	~{n}-(1-propylbenzimidazol-2-yl)propanamide
+[C@H]1([C@H]([C@@H](O[C@H]1[C@@H](C(=O)O)O)O)O)O	GTK	beta-d-galactofuranuronic acid
+C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1)O)O)O)O	GTL	(2e,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-piperidinone
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O	GTM	methyl 4-thio-beta-d-glucopyranoside
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N	GTN	phosphoaminophosphonic acid guanylate ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N	GTO	phosphomethylphosphonic acid-guanylate ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N	GTP	guanosine-5'-triphosphate
+c1cc(c(cc1O)C(=O)O)O	GTQ	2,5-dihydroxybenzoic acid
+[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O	GTR	beta-d-galactopyranuronic acid
+C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GTS	glutathione sulfonic acid
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+]	GTT	glutathione
+CC#C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	GTU	n-[3-[(4r)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+Cc1cc(c2c(c1)OC(=O)C=C2CP(=O)(O)O)C	GTV	[(5,7-dimethyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CCS(=O)(=O)C)Cc3ccc(cc3)CN	GTW	~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
+CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+]	GTX	s-hexylglutathione
+CCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GTY	l-gamma-glutamyl-s-octyl-d-cysteinylglycine
+C([C@@H]1[C@@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O	GTZ	(5r, 6s, 7s, 8s)-5-hydroxymethyl-6,7,8-trihydroxy-tetrazolo[1,5-a]piperidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O-]	GU0	2,3,6-tri-o-sulfonato-beta-d-glucopyranose
+CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)O)C(=O)O)O	GU1	2,3-di-o-methyl-beta-d-glucopyranuronic acid
+CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(=O)O)O	GU2	2,3-di-o-methyl-alpha-l-idopyranuronic acid
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OS(=O)(=O)O)OC)COS(=O)(=O)O)O	GU3	methyl 3-o-methyl-2,6-di-o-sulfo-alpha-d-glucopyranoside
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	GU4	2,3,4,6-tetra-o-sulfonato-alpha-d-glucopyranose
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)[O-])O	GU5	2,3-di-o-methyl-6-o-sulfonato-alpha-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O	GU6	2,3,6-tri-o-sulfo-alpha-d-glucopyranose
+c1nc2c(n1CCNC(CO)CO)C(=O)NC(=N2)N	GU7	2-amino-7-[2-(2-hydroxy-1-hydroxymethyl-ethylamino)-ethyl]-1,7-dihydro-purin-6-one
+COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)O	GU8	2,3,6-tri-o-methyl-beta-d-glucopyranose
+COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)OC)O	GU9	2,3,6-tri-o-methyl-alpha-d-glucopyranose
+C(CC(=O)O)CC(=O)O	GUA	glutaric acid
+c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@@H](O4)CO)O)O	GUB	9-alpha-l-lyxofuranosyl-n-(2-phenylethyl)-9h-purin-6-amine
+Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(Cc4c(ccnc4F)C(=N3)N)C)F)C#N	GUC	n-[3-[(3s)-1-azanyl-5-fluoranyl-3-methyl-4h-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	GUD	glucose-uridine-c1,5'-diphosphate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N+]3=C2)C(=O)N=C(N4)N	GUE	5,10-methenyltetrahydrofolate
+[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1F)O)C(=O)O)O)O	GUF	2-deoxy-2-fluoro-beta-d-glucopyranuronic acid
+CC(C)NC(=O)c1ccc2ccccc2n1	GUG	~{n}-propan-2-ylquinoline-2-carboxamide
+O[Mo]1([O+]2[Mo]([O+]3[Mo]245([O+]1[Mo]([O+]4[Mo]6([O+]5[Mo]3(O6)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)O)(O)(O)(O)O)(O)(O)O	GUH	mo6 cluster
+CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl	GUI	5-chloro-n-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n'-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
+Cc1c(c2c(s1)-n3c(nnc3COC2)C)Cc4ccccc4	GUJ	3-benzyl-2,9-dimethyl-4h,6h-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine
+CC(C)Nc1cc(nn2c1ncc2c3ccc4c(c3)c[nH]n4)Cl	GUK	6-chloranyl-3-(2~{h}-indazol-5-yl)-~{n}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine
+C([C@]1([C@H]([C@@H]([C@@H](C(O1)F)O)O)O)F)O	GUL	(2r,3s,4r,5s)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol
+CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)NC(=O)C	GUM	4-methyl-umbelliferyl-n-acetyl-chitobiose
+c1[nH]c2c(n1)C(=O)NC(=N2)N	GUN	guanine
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C/N[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N	GUO	[(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[(e)-[[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+C([C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O	GUP	alpha-l-gulopyranose
+COc1ccccc1C2=C(C(=O)NC2=O)Nc3nc4ccccc4s3	GUQ	3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
+C12C(NC(=O)N1)NC(=O)N2	GUR	glycoluril
+[H]/N=C(\N)/Nc1ccc(c(c1)/C=N/[C@@H](C)C(=O)O)O	GUS	(e)-n-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-l-alanine
+CCN1C=Nc2c(c(c([nH]2)c3ccc(cc3)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C)C1=O	GUT	~{n}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C	GUU	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(methanesulfonyl)propanamide
+Cc1nccc(n1)c2cccc(c2)NC(=O)NC	GUV	1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
+COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C	GUW	~{n}-[3-(4-methoxy-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide
+C(CCCCN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O)CCCN=[N+]=[N-]	GUX	(1~{r},2~{s},3~{r},4~{s},5~{s},6~{r})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid
+CCCn1c(nnn1)NC(=O)c2ccco2	GUY	~{n}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide
+[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1F)O)C(=O)O)O)O	GUZ	2-deoxy-2-fluoro-alpha-d-glucopyranuronic acid
+CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	GV0	golvatinib 
+Cc1c(sc2c1c(ncn2)N(C)C)C	GV1	~{n},~{n},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC6CCOCC6	GV2	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(oxan-4-yl)pyridine-4-carboxamide
+Cc1c(c(n(n1)C)C)NC(=O)CC#N	GV4	2-cyano-~{n}-(1,3,5-trimethylpyrazol-4-yl)ethanamide
+CN(C)c1cccc(c1)c2cc(cc3c2nccn3)Nc4cnccc4S(=O)(=O)C	GV5	8-[3-(dimethylamino)phenyl]-~{n}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine
+CC[C@H](C)[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	GV6	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2s,3s)-2-azanyl-3-methyl-pentanoate
+Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)O	GV7	4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol
+Cc1coc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5S(=O)(=O)C	GV8	8-(3-methyl-1-benzofuran-5-yl)-~{n}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine
+CC(=O)Nc1ccsc1C(=O)O	GV9	3-(acetylamino)thiophene-2-carboxylic acid
+[H]/N=C(/N)\NCCCCC(=O)O	GVA	5-{[amino(imino)methyl]amino}pentanoic acid
+Cc1cccc(c1)[C@@H]2C[N@@](CC[C@@H]2N)c3ccc(c(c3)OC)OC	GVB	(3r,4s)-1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine
+Cc1nc(nn1c2cc(cc(c2)Cl)Cl)C(=O)O	GVC	1-(3,5-dichlorophenyl)-5-methyl-1h-1,2,4-triazole-3-carboxylic acid
+c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)CC#N)Nc4cc([nH]n4)C5CC5	GVD	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile
+COC(=O)CCCN	GVE	methyl 4-aminobutanoate
+c1cc(c(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	GVF	benzene-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]
+Cc1c(c[nH]n1)c2ccccc2	GVG	3-methyl-4-phenyl-1h-pyrazole
+c1cc2cc[nH]c2nc1	GVH	1h-pyrrolo[2,3-b]pyridine
+CNCc1ccc(cc1)c2c3c([nH]cn3)ncn2	GVI	n-methyl-1-[4-(9h-purin-6-yl)phenyl]methanamine
+c1ccc(cc1)[C@@H](c2ccc(cc2)c3c4c([nH]cn4)ncn3)N	GVJ	(s)-1-phenyl-1-[4-(9h-purin-6-yl)phenyl]methanamine
+c1cc(ccc1c2c3c([nH]cn3)ncn2)C4(CCNCC4)c5ccc(cc5)Cl	GVK	6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9h-purine
+CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)N)O	GVL	o-[(r)-{[(3r)-4-amino-3-hydroxy-2,2-dimethyl-4-oxobutyl]oxy}(hydroxy)phosphoryl]-l-serine
+CC(C)(C)C[C@H](CC(=O)O)O	GVM	(3r)-3-hydroxy-5,5-dimethylhexanoic acid
+c1cc(ccc1c2c[nH]nc2)[C@@H](CN)c3ccc(cc3)Cl	GVN	(2r)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine
+c1cc(ccc1c2c[nH]nc2)[C@H](CN)c3ccc(cc3)Cl	GVO	(2s)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine
+c1cc(ccc1c2c[nH]nc2)C3(CCNCC3)c4ccc(cc4)Cl	GVP	4-(4-chlorophenyl)-4-[4-(1h-pyrazol-4-yl)phenyl]piperidine
+c1ccc(cc1)[C@@H](CN)c2ccc(cc2)Cl	GVQ	(2r)-2-(4-chlorophenyl)-2-phenylethanamine
+c1ccc2cc(ccc2c1)C[C@H](C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3	GVR	(2r)-n-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide
+CCOC(=O)CC1(COC1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3	GVS	ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2h)-yl]oxetan-3-yl}acetate
+CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	GVT	3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol
+CCCC[C@]1(CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(\C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C)OC(=O)CCC(=O)O	GVU	(2e,4s,5s,6e,8e)-10-[(2s,3r,6s,8r,9s)-3-butyl-9-methyl-2-[(1e,3e)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid
+CCC(=O)Nc1ccc(cc1O)C	GVV	~{n}-(4-methyl-2-oxidanyl-phenyl)propanamide
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CC2CC[C@@H]3CCCC[C@H]3C2)[C@H](C(C)(C)O)O)NC(=O)CN4CCOCC4	GVW	(2~{s})-~{n}-[(2~{s},3~{r})-1-[(4~{a}~{s},8~{a}~{s})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GVX	l-gamma-glutamyl-s-[(2-phenylethyl)carbamothioyl]-l-cysteinylglycine
+c1cc(ccc1c2nnc(s2)N)O	GVY	4-(5-amino-1,3,4-thiadiazol-2-yl)phenol
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](C[C@@H]2CCC[C@H]3[C@H]2CCCC3)[C@H](C(C)(C)O)O)NC(=O)CN4CCOCC4	GVZ	(2~{s})-~{n}-[(2~{s},3~{r})-1-[(1~{s},4~{a}~{s},8~{a}~{r})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(c(c3)F)C(F)(F)F)C	GW0	{4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid
+Cn1c(c(cn1)Cl)C(=O)N2CCCCC2	GW1	(4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone
+C[C@H](CO)[C@@H]([C@H](C[C@@H]1CCC[C@H]2[C@H]1CCCC2)NC(=O)[C@H](Cc3ccc(cc3)OC)NC(=O)[C@H](C)NC(=O)CN4CCOCC4)O	GW2	(2~{s})-~{n}-[(2~{s},3~{s},4~{r})-1-[(1~{s},4~{a}~{s},8~{a}~{r})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)N	GW3	7-(1-ethyl-propyl)-7h-pyrrolo-[3,2-f]quinazoline-1,3-diamine
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](CNC(=O)C)Nc4ccccc4C(=O)c5ccccc5	GW4	n-[(2s)-2-[(2-benzoylphenyl)amino]-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl]acetamide
+CC/C(=C(\c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O)/c3ccccc3	GW5	(2e)-3-{4-[(1e)-1,2-diphenylbut-1-enyl]phenyl}acrylic acid
+C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F	GW6	(6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate
+CCc1cc2c(s1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	GW7	n-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine
+CN1CCN(CC1)C(=O)c2cccc(c2)NC(=O)Nc3ccc(cc3)N(C)c4ccnc(n4)Nc5ccc(cc5)CS(=O)(=O)C	GW8	1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea
+c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]	GW9	2-chloro-5-nitro-n-phenylbenzamide
+CC(=O)Nc1cccc(c1)NC(=O)COC	GWA	~{n}-(3-acetamidophenyl)-2-methoxy-ethanamide
+CC(C)C1=C(c2cc(ccc2NC1=O)F)OC#CC3CC3	GWB	4-[(cyclopropylethynyl)oxy]-6-fluoro-3-isopropylquinolin-2(1h)-one
+c1cc2c(cc1I)/C(=C\c3cc(c(c(c3)Br)O)Br)/C(=O)N2	GWD	(3e)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2h-indol-2-one
+Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)F)C(F)(F)F)Cl)S(N)(O)O	GWE	n-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide
+c1ccc(c(c1)c2c(c(on2)C3CC3)COC4C[C@H]5CC[C@@H](C4)N5c6nc7c(cc(cc7s6)C(=O)O)F)OC(F)(F)F	GWF	tropifexor
+Cn1c2ccccc2c(n1)C(=O)N	GWG	1-methylindazole-3-carboxamide
+C[C@H](c1cc(ccc1N2NC=CN2)F)Oc3cc(cnc3N)c4cccc(c4)S(=O)(=O)C	GWH	3-{(1r)-1-[2-(1,3-dihydro-2h-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine
+CCC(=O)NS(=O)(=O)c1ccc(c(c1)C)NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl	GWI	n-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide
+Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl)S(=O)(=O)N	GWJ	2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-n-(2-methyl-4-sulfamoylphenyl)acetamide
+CC1CCC(CC1)C[C@@H]([C@H](C(C)(C)O)O)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3	GWK	(2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{r})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)N	GWL	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide
+Cc1ccc(cc1)OP(=O)(O)O	GWM	(4-methylphenyl) dihydrogen phosphate
+O[Mo]12(O[Mo]34([O+]1[Mo]567([O+]2[Mo]8(O5)([O+]6[Mo]912([O+]8[Mo]5([O+]9[Mo]6(O5)([O+]1[Mo]([O+]73)(O4)(O6)(O2)O)(O)O)(O)(O)O)O)(O)O)O)(O)O)(O)O	GWN	mo8 cluster
+c1ccc(cc1)C[C@H](C[C@H]([C@H](Cc2ccccc2)N)O)C(=O)O	GWO	(2r,4r,5s)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid
+c1c(nc([nH]1)C2CC2)C(=O)N	GWP	2-cyclopropyl-1~{h}-imidazole-4-carboxamide
+c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Ru-4]456([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1c1c2nc2ccc(cc2n1)C#N	GWQ	ruthenium (bis-(phenanthroline)) (11-cyano-dipyridophenazine)
+CN1c2c(n(c(n2)Oc3cccc(c3)Cl)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO	GWR	8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione
+c1cc(cnc1)NC(=O)CC2CCCCC2	GWS	2-cyclohexyl-~{n}-pyridin-3-yl-ethanamide
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CC2CCC(CC2)C3CCCCC3)[C@H](C(C)(C)O)O)NC(=O)C[NH+]4CCOCC4	GWT	(2~{s})-~{n}-[(2~{s},3~{r})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide
+CC(C)NCc1ccc(cc1)N(C)C	GWV	~{n},~{n}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
+O[Mo](O)(O)(O)O	GWW	pentakis(oxidanyl)molybdenum
+C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@@H](CC3CCCCC3)NC(=O)N[C@@H](CCCCN)C(=O)O	GWX	(2s)-6-amino-2-[[(1r)-1-(cyclohexylmethyl)-2-oxo-2-[[(2s)-1,7,7-trimethylnorbornan-2-yl]amino]ethyl]arbamoylamino]hexanoic acid
+CN(C[C@@H]1CCOC1)c2c(cncn2)Cl	GWY	5-chloranyl-~{n}-methyl-~{n}-[[(3~{s})-oxolan-3-yl]methyl]pyrimidin-4-amine
+CC(C)C[C@@H]([C@H](C(C)(C)O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3	GWZ	(2~{s})-~{n}-[(2~{s})-1-[[(3~{r},4~{s})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide
+c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)CN4CCCC4	GX0	1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(NCCS)O)O)N=C(NC2=O)N	GX1	2'-deoxy-5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine
+O[Mo]12O[Mo]345O[Mo]6(O3)(O[Mo]78(O1)O[Mo]9(O7)(O[Mo]13(O2)O[Mo](O1)(O4)(O[Mo]124(O[Mo]7(O[Mo]%10(O6)(O[Mo](O8)(O%10)(O[Mo]6(O7)(O9)(O[Mo](O3)(O6)(O1)(O)O)O)(O)O)(O[Mo](O5)(O2)(O4)(O)O)O)O)O)(O)O)(O)O)(O)O	GX2	mo14o47 cluster
+CNc1ncc2c(n1)N(C(=O)C(=C2)c3c(c(cc(c3Cl)OC)OC)Cl)CCCN4CCN(CC4)C(=O)C=C	GX3	6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one
+c1cc(ccc1N2CCN(CC2)C(=O)C3CC3)F	GX4	cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
+CC#C[C@]1(C2(CC(C2)(F)F)COC(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N	GX6	n-[3-[(9s)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+C1CCC(CC1)NC2=CNC(=O)NC2=O	GX7	5-(cyclohexylamino)pyrimidine-2,4(1h,3h)-dione
+COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2ccc(c(c2)OCc3ccccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC	GX8	2-[[4-[2-hydroxy-2-oxoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-phenylmethoxy-phenyl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid
+Cn1cc(nc1)c2ccc(c(c2)C(=O)N)OC3CCN(CC3)C(=O)Cc4ccc(cc4)OC(F)(F)F	GXA	5-(1-methyl-1h-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide
+CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O	GXB	sialylated precision glycomacromolecule
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(=O)NC(=O)C	GXC	n-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide
+c1cc(c(c(c1)Cl)C(=O)CC(=O)C(=O)O)Cl	GXD	4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid
+c1ccc(cc1)[SeH]	GXE	benzeneselenol
+c1cc(c(c(c1)F)C(=O)CC(=O)C(=O)O)F	GXG	4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid
+COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)NNc4ccccc4)c5ccc(cc5)F)OC	GXH	3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)O	GXJ	(2r)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid
+c1cc2c(cc1c3cnc4n3nc(cc4NCC5CC5)Cl)c[nH]n2	GXK	6-chloranyl-~{n}-(cyclopropylmethyl)-3-(2~{h}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
+C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O	GXL	alpha-l-galactopyranose
+c1ccc(c(c1)C(=O)/C=C(/C(=O)O)\O)[N+](=O)[O-]	GXM	(2z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid
+COc1cc(cc(c1OC)Br)CN2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N	GXN	[2-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-1~{h}-isoquinolin-6-yl] sulfamate
+CC[C@@H]1C[C@@H](CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O)(=O)C6(CC6)C)C	GXO	[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{n}-[(1~{s},4~{r},6~{s},7~{z},11~{r},13~{r},14~{s},18~{r})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
+C([C@@H](C=O)O)C(=O)C(=O)O	GXP	(4s)-4-hydroxy-2,5-dioxopentanoic acid
+C1CC(CCC1NCCCN)NCCCN	GXQ	n,n'-bis(3-aminopropyl)-1,4-cyclohexanediamine
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C	GXR	(8~{s},9~{r},10~{s},11~{s},13~{s},14~{s},16~{s},17~{r})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
+C([C@H](C=O)O)C(=O)C(=O)O	GXS	(4r)-4-hydroxy-2,5-dioxopentanoic acid
+C(=O)C=O	GXT	ethanedial
+Cc1n(c2c([n+]1Cc3cnccn3)C(=O)c4ccccc4C2=O)CCOC	GXU	1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione
+C([C@@H](C=O)O)O	GXV	l-glyceraldehyde
+[O][W]1234O[Cu]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	GXW	cu(ii)-substituted wells-dawson
+COc1cc(c(cc1Br)OC)N	GXY	4-bromo-2,5-dimethoxyaniline
+[O][W]1234O[Ni]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	GXZ	ni(ii)-substituted wells-dawson
+C[C@H](CCC/C=C/[C@@H](CC(=O)SCCC(=O)OC)O)O	GY0	methyl 3-[(e,3r,9r)-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate
+CCc1cc(cc(c1C2C(=O)N3CCOCCN3C2=O)C=C)C	GY3	8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7h-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8h)-dione
+c1cc(ccc1CC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O)Cl	GY4	2-{(2s)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+COCCNC(=O)C1=C(C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3)O	GY5	5-hydroxy-n-(2-methoxyethyl)-6-oxo-2-[(2s)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4Cl)Cl)O	GY6	2-[(2s)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4F)F)O	GY7	2-[(2s)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
+c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)c5c(cncc5Cl)Cl)O	GY8	2-[(2s)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-n-(2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide
+c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O	GY9	2-{(2s)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide
+COc1cc2c(cc1OC)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O	GYA	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-(5,6-dimethoxy-2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide
+C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(c(c4)Br)N)OCO3	GYB	(8r)-5-(4-amino-3-bromophenyl)-n,8-dimethyl-8,9-dihydro-2h,7h-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)O	GYC	[(4z)-2-[(1r)-1-amino-2-mercaptoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+[H]/N=C(\N)/NCCC[C@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@@H](CC(=O)N)NC(=O)Cc1ccc(cc1O)O)N	GYD	n~1~-{5-[(3-{[3-(d-arginylamino)propyl]amino}propyl)amino]pentyl}-n~2~-[(2,4-dihydroxyphenyl)acetyl]-d-aspartamide
+C[C@H]([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O	GYE	beta-d-fucofuranose
+COC(=O)CCS	GYF	methyl 3-sulfanylpropanoate
+[H]/N=C(/N)\N[C@H]1C[C@H](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)S(=O)(=O)O	GYG	(1r)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-d-glycero-d-galacto-octitol
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C(C)C	GYI	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(propane-2-sulfonyl)propanamide
+C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(cc4)N)OCO3	GYK	(8r)-5-(4-aminophenyl)-n,8-dimethyl-8,9-dihydro-2h,7h-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide
+CCC(=O)Nc1cccc(c1)c2nc([nH]n2)NCc3c(cccc3Cl)F	GYL	n-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1h-1,2,4-triazol-3-yl)phenyl]propanamide
+CCCCCCCCCCCCCC(=O)OC[C@H](CO)O	GYM	(2r)-2,3-dihydroxypropyl tetradecanoate
+C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@H]3C(=C(CC[C@@]34CCCN=C4CC\C=C(\[C@@H]1O2)/C)[C@@H]5C[C@@H](C(=O)O5)C)C)/C)O	GYN	gymnodimine a
+COc1ccccc1[C@@H]2C[C@@H]2NC(=O)c3ccc4c(c3)[nH]cn4	GYO	~{n}-[(1~{s},2~{s})-2-(2-methoxyphenyl)cyclopropyl]-3~{h}-benzimidazole-5-carboxamide
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	GYP	methyl alpha-d-glucopyranoside
+c1c2c(nc(n1)/N=C/3\C=CC=NC3=O)N(C(=O)N2)C4CCC(CC4)CC#N	GYQ	2-[4-[8-oxidanylidene-2-[(~{e})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{h}-purin-9-yl]cyclohexyl]ethanenitrile
+Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCC[C@@H]3CO)CS(=O)(=O)c4ccccc4	GYR	{(2r)-1-[4-({3-methyl-5-[(phenylsulfonyl)methyl]phenoxy}methyl)benzyl]pyrrolidin-2-yl}methanol
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O	GYS	[(4z)-2-(1-amino-2-hydroxyethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)NCCCOCCOCCOCCCNC(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)O	GYT	bis-(2-acetamido-2-deoxy-alpha-d-glucopyranosyloxycarbonyl)-4,7,10-trioxa-1,13-tridecanediamine
+CCCNC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C	GYU	2-acetamido-2-deoxy-1-o-(propylcarbamoyl)-alpha-d-glucopyranose
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)N)CO)O)O	GYV	2-acetamido-1-o-carbamoyl-2-deoxy-alpha-d-glucopyranose
+c1cc2ncc(n2cc1C#N)c3ncc4c(n3)N(C(=O)N4CCO)C5CCOCC5	GYW	3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
+C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)NC(=O)C	GYX	n-[(3-acetamidophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
+c1ccc2c(c1)cccc2CC(=O)NCCCNCCCCNCCCN	GYY	n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2-(naphthalen-1-yl)acetamide
+C[C@H]1[C@H]([C@H]([C@@H](/C(=N/OC(=O)Nc2ccccc2)/O1)O)O)O	GYZ	[(~{z})-[(3~{s},4~{r},5~{s},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{n}-phenylcarbamate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)[C@H](CO)O)O)O)O)O)O)NC(=NC2=O)N	GZ0	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s},5~{s},6~{s})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+C1CC(=CC(=O)C1)Nc2[nH]nnn2	GZ2	3-(1h-tetrazol-5-ylamino)cyclohex-2-en-1-one
+C/C(=C\P(=O)(O)O)/C(=O)O	GZ3	(e)-2-methyl-3-phosphonoacrylate
+Cc1cc2c(cc1C)[n+](c3c(n2)C(=O)NC(=O)N3)CCCc4ccccc4	GZ4	7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N	GZ5	(2~{r})-2-azanyl-~{n}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{h}-indol-3-yl)propanamide
+C(=[NH2+])(N)N	GZ6	guanidinium
+Cc1cc2c(cc1NC3CCCC3)[n+](c4c(n2)c(nc(n4)O)O)CCCCCCC(=O)O	GZ7	10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium
+C1=CC(=S)C=C(C1C(=O)O)C(=O)O	GZ8	4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid
+Cc1c(ccc2c1CCCO2)c3c(nc(c(c3[C@@H](C(=O)O)OC(C)(C)C)C)NC(=O)NC4CCCCC4)C	GZ9	(2s)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2h-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+c1ccc(cc1)Cn2cc(cn2)OC3=Nc4cnccc4C(=O)N3	GZA	2-[(1-benzyl-1h-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3h)-one
+c1ccc(cc1)C(=O)NCC(=O)O	GZB	2-benzamidoethanoic acid
+[H]/N=C(\Nc1cc(c(cc1)O)/C=N/CC/N=C/c2c(ccc(c2)N/C(=N/[H])/N)O)/N	GZC	n,n'''-{ethane-1,2-diylbis[nitrilo(e)methylylidene(4-hydroxybenzene-3,1-diyl)]}diguanidine
+C[N+](C)(C)CCCCCNCC12CC3CC(C1)CC(C3)C2	GZD	n,n,n-trimethyl-5-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)pentan-1-aminium
+c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)OS(=O)(=O)N	GZE	[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate
+c1nc2c(n1[C@@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=S)(O)O)O)O)nc(nc2O)N	GZF	[(2r,3r,4s,5s)-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl bis(oxidanyl)phosphinothioyl hydrogen phosphate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCN(CCCC(=O)O)Cc4ccccc4	GZG	4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)ethyl]amino}butanoic acid
+c1cc(ccc1CCNC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)S(=O)(=O)N	GZH	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
+CC[C@@H](C(=O)O)NC(=O)C	GZJ	(2s)-2-(acetylamino)butanoic acid
+c1cc(c(cc1CN2C=Nc3c(cnn3[C@@H]4CCS(=O)(=O)C4)C2=O)Cl)Cl	GZK	1-[(3~{r})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
+C(C([C@H]1C(C([C@@H](O1)O)O)O)O)O	GZL	beta-d-galactofuranose
+CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(cc(c3)Cl)Cl	GZM	4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-n-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(c(c4)Cl)Cl	GZN	2-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
+CN(c1c(nc(nc1N)c2c3cccnc3n(n2)Cc4ccccc4F)N)C(=O)OC	GZO	methyl ~{n}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{n}-methyl-carbamate
+c1ccc(cc1)c2cc(n[nH]2)C3(CCCC3)O	GZP	1-(3-phenyl-1h-pyrazol-5-yl)cyclopentanol
+CC(=O)N(C)c1ccc(cc1Cl)Cl	GZQ	~{n}-(2,4-dichlorophenyl)-~{n}-methyl-ethanamide
+Cc1cn(cn1)c2ccc(cc2OC)C=C3CCCN(C3=O)[C@@H](C)c4ccc(cc4)F	GZR	1-[(1s)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
+CNC(=O)C1=CC=CN(C1=O)Cc2ccc3c(c2)OC(O3)(F)F	GZT	1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{n}-methyl-2-oxidanylidene-pyridine-3-carboxamide
+Cc1ccc(c(c1F)C(=O)C=C(C(=O)O)O)F	GZV	(2z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cc(nc3)C4CCNCC4)Cc5ccc(c(c5)Cl)Cl	GZW	2-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide
+Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)N2)O)(C)C)C)O)C)C	GZX	(1~{s},3~{s},7~{s},10~{r},11~{s},12~{s},16~{r})-8,8,10,12,16-pentamethyl-3-[(~{e})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
+CC(=O)N1CCC[C@H]1c2cccc(c2)OC	GZY	1-[(2s)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one
+[H]/N=C(/N)\NCCCCCCCCNCCCCCCCCN/C(=N/[H])/N	GZZ	n-{8-[(8-{[(e)-amino(imino)methyl]amino}octyl)amino]octyl}guanidine
+[H+]	H	etnam h hydrogen atom
+C(CC(=O)O)CS	H00	4-sulfanylbutanoic acid
+Cc1c\2[nH]c(c1CCC(=O)O)\C=C/3\C(=C(/C(=C/c4c(c(c([nH]4)C=C5C(=C(/C(=C2)/N5)S(=O)(=O)O)C)S(=O)(=O)O)C)/N3)C)CCC(=O)O	H01	protoporphyrin ix 2,4-disulfonic acid
+CCc1c(c\2[nH]c1C=C3C(=C(C(=Cc4c(c(c([nH]4)C=C5C(=C(/C(=C2)/N5)C)CCC(=O)O)CCC(=O)O)C)N3C)CC)C)C	H02	n-methyl protoporphyrin ix 2,4-disulfonic acid
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)N(C)C	H03	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(dimethylsulfamoyl)propanamide
+CCOc1ccccc1N2CCNCC2	H04	1-(2-ethoxyphenyl)piperazine
+CCCc1nc2ccccc2c3n1nc(n3)N	H05	5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
+[H]/N=C(/c1ccc(cc1)/C=N/NC(=O)c2cccnc2)\N	H06	(e)-4-((2-nicotinoylhydrazono)methyl)benzimidamide
+CO[C@@H]1[C@H]2[C@@H](COP(=O)(O2)O)O[C@H]1n3c4c(c(ncn4)N)nc3Sc5ccc(cc5)Cl	H07	(2s,4ar,6r,7r,7ar)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]-9h-purin-9-yl}-7-methoxytetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-2-ol 2-oxide
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(cc4)Cl	H08	2-[(4-chlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
+CC(=O)N1CCC=CC[C@H]1c2ccc(cc2)OC	H0A	1-[(2s)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1h-azepin-1-yl]ethan-1-one
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2nccc3)Cc4ccc(c(c4)Cl)Cl	H0B	6-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)OC(=O)c7c8ccccc8cc9c7cccc9)O	H0C	[(2~{r},3~{r},4~{r},5~{s},6~{s})-2-[[(1~{r},3~{s},5~{s},8~{r},9~{s},10~{r},11~{r},13~{r},14~{s},17~{r})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{h}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{h}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate
+CC[C@H](CO)NC(=O)Nc1ccc(cc1)Cl	H0D	n-(4-chlorophenyl)-n'-[(2r)-1-hydroxybutan-2-yl]urea
+CC1(CN=C2[C@H](c3cc(ccc3N2C1)S(=O)(=O)[N@@]4CCC[C@H]4COc5ccccc5)O)C	H0E	(10s)-3,3-dimethyl-8-{[(2s)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol
+Cc1cccc(c1)CC(=O)Nc2ccon2	H0G	2-(3-methylphenyl)-n-(1,2-oxazol-3-yl)acetamide
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccccc4	H0H	~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide
+CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCC(=O)O	H0I	4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid
+c1ccnc(c1)c2ccc(s2)C(=S)N	H0J	5-(pyridin-2-yl)thiophene-2-carbothioamide
+c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5cc(ccc5C4)CO	H0K	4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol
+COc1cc2c(cc1OC)C(=O)[C@H](C2)CC3(CCN(CC3)Cc4ccc(cc4)F)F	H0L	(2r)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
+c1ccnc(c1)NC(=O)Cc2cccc(c2)O	H0M	2-(3-hydroxyphenyl)-n-(pyridin-2-yl)acetamide
+c1cc(c(cc1CN2C=C(c3c(cnn3C4CCNCC4)C2=O)C(=O)Nc5ccncc5)Cl)Cl	H0N	5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{n}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide
+c1cc(cc(c1)O)CC(=O)Nc2cccnc2	H0P	2-(3-hydroxyphenyl)-n-(pyridin-3-yl)acetamide
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4cccc(c4)Cl	H0Q	2-[(3-chlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
+COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4ccccc4F)F	H0R	(2s)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
+Cc1ccc(cc1)Nc2c3cn[nH]c3ncn2	H0S	n-(4-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CN1CCN(CC1)S(=O)(=O)c2ccccc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5	H0T	[2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
+Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)c3ccc(s3)C#N	H0U	~{n}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide
+c1ccc(cc1)CCc2c[nH]c3c2c(nc(n3)N)N	H0V	5-phenethyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cccnc5N6CCC(CC6)N7CCCOC7=O)Cl)c8ccccc8	H0W	6-chloranyl-3-[3-[(1~{s})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{n}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{h}-indole-2-carboxamide
+c1ccc(cc1)C2=CC(=O)NC(=N2)SCC#N	H0X	[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile
+c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5cccc(n5)C(=O)O	H0Y	6-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]pyridine-2-carboxylic acid
+CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3	H0Z	bicuculline methochloride
+C[C@H](C#Cc1cccc(c1)OC23CC4CC(C2)CC(C4)C3)N(C(=O)N)O	H10	1-hydroxy-1-[(2r)-4-{3-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yloxy]phenyl}but-3-yn-2-yl]urea
+CCC[C@]1(C(=O)N=C(S1)NC2CCCCCCC2)C	H11	(5s)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5h)-one
+CCCC1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3	H12	6-chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1h)-one
+CCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO	H13	n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
+c1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O	H14	(2s,3r)-beta-hydroxy-phenylalanine
+CCCCCCCCCCCCCCC(=O)N[C@H](CC(c1ccccc1)O)CO	H15	n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide
+CCCC1=C(c2cc(ccc2NC1=O)Cl)SC3CCCCC3	H16	6-chloro-4-(cyclohexylsulfanyl)-3-propylquinolin-2(1h)-one
+C=CC(=O)N1CCC[C@@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl	H17	2-{3-[(2r)-1-acryloylpyrrolidin-2-yl]phenyl}-n-(3-chlorophenyl)acetamide
+CCCC1=C(c2cc(ccc2NC1=O)Cl)[S@](=O)C3CCCCC3	H18	6-chloro-4-(cyclohexylsulfinyl)-3-propylquinolin-2(1h)-one
+c1cc2c(cc1Cl)nc3c(c2N)[C@@H]4C[C@H](C3)CC(=C4)CC[NH3+]	H19	huprine 19
+CCC(CC)C(=O)Nc1ccccc1O	H1A	2-ethyl-n-(2-hydroxyphenyl)butanamide
+CCN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F	H1B	n'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
+CCCCc1ccc2c(c1)nc([nH]2)NC(=O)OC	H1C	methyl ~{n}-(5-butyl-1~{h}-benzimidazol-2-yl)carbamate
+C(CSC[C@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N	H1D	(2s)-2-amino-4-[(2r,3s)-2,3-dihydroxy-3-n-hydroxycarbamoyl-propylmercapto]butyric acid
+COc1cc(cc(c1OC)OC)C2CC(=NN2C(=S)N)c3ccccc3	H1F	5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide
+COc1ccc(cc1)CC(=O)Nc2cc(cnc2)OCC(=O)N3CCNC(=O)C3	H1G	2-(4-methoxyphenyl)-n-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide
+C[C@@H](c1ccccc1OC)NC(=O)Nc2cc(c(cc2C(=O)O)OC)OCCCC(C)C	H1H	5-methoxy-2-[[(1~{s})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid
+C/C(=N\Nc1nc2ccccc2s1)/c3ccc(o3)c4cccc(c4)S(=O)(=O)NC(=O)CCCCCc5ccccc5	H1I	n-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide
+c1cc(cc(c1)Cl)NC(=O)Cc2ccc(cc2)F	H1J	n-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide
+COc1cc(c(cc1NC(=O)Nc2cnccn2)Cl)OC	H1K	1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl	H1L	(2r)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)CCO	H1M	methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-d-mannopyranoside
+CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5	H1N	n-[2-oxo-3-((e)-phenyl{[4-(piperidin-1-ylmethyl)phenyl]imino}methyl)-2,6-dihydro-1h-indol-5-yl]ethanesulfonamide
+Cn1ccc2c1cccc2c3[nH]c4c(cccc4n3)c5cc(c(c(c5)OC)OC)OC	H1O	2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{h}-benzimidazole
+c1ccc(c(c1)c2ccc(cc2)F)N3C=CCC3=O	H1P	1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2h-pyrrol-2-one
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])O)O)N	H1Q	adenosine divanadate
+COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4cccc(c4)F)F	H1R	(2s)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
+C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O)[O-]	H1S	heparin disaccharide i-s
+O=[V](O[V]([O])([O])O[V]([O])([O])O[V]([O])O[V]([O])([O])[O])O([V]([O])[O])[V]([O])([O])([O])[O]	H1T	[[[[bis($l^{1}-oxidanyl)-[$l^{1}-oxidanyl-[tris($l^{1}-oxidanyl)vanadiooxy]vanadio]oxy-vanadio]oxy-bis($l^{1}-oxidanyl)vanadio]oxy-oxidanylidene-vanadio]-[bis($l^{1}-oxidanyl)vanadio]-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)vanadium
+c1ccc(cc1)CNCCc2c3ccccc3[nH]c2CNC4CCCCCC4	H1U	n-[[3-[2-[(phenylmethyl)amino]ethyl]-1h-indol-2-yl]methyl]cycloheptanamine
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C	H1V	n,n'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
+O[V](O)(O)(O)O	H1W	pentakis(oxidanyl)vanadium
+Cc1ccc(cc1S(=O)(=O)Nc2ccccc2C(=O)O)C(C)(C)C	H1X	2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid
+c1ccc(cc1)CC(=O)Nc2cccc(c2)Cl	H1Y	n-(3-chlorophenyl)-2-phenylacetamide
+CCCCOc1ccc(cc1)S(=O)(=O)N	H1Z	4-butoxybenzenesulfonamide
+CC(C)C1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3	H20	6-chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1h)-one
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)Cn3cnc(n3)NC(=O)c4ccc(s4)Cl	H21	5-chloro-n-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-1h-1,2,4-triazol-3-yl]thiophene-2-carboxamide
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@@]3CC[C@H](C3)NC(=O)c4ccc(s4)Cl	H22	5-chloro-n-[(3r)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
+CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O	H23	(1-hydroxydodecane-1,1-diyl)bis(phosphonic acid)
+C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)c3cccc(c3)OC	H24	(6s)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)O)NC(=O)c4ccc(s4)Cl	H25	5-chloro-thiophene-2-carboxylic acid ((3s,4s)-1-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide
+c1nc2c(n1CCOCCP(=O)(O)O)N=CNC2=O	H26	{2-[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethoxy]ethyl}phosphonic acid
+CC(C)[C@H](C(=O)O)N(/C=C/NC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3	H27	(2r)-2-[{(e)-2-[({(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2h-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid
+c1cc(c(c(c1)Cl)F)[C@H]2[C@H]3[C@H](C=NC3=O)N([C@]24c5ccc(cc5NC4=O)Cl)CC6CC6	H28	(3~{s},3'~{r},3'~{a}~{s},6'~{a}~{r})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{h}-indole-3,2'-3~{a},6~{a}-dihydro-3~{h}-pyrrolo[3,4-b]pyrrole]-2,4'-dione
+c1cc(ncc1N)N2CCc3c(ccs3)C2	H29	6-(6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
+CC(=O)OCC1CS[C@@H]2[C@@H](C(=O)N2C1C(=O)[O-])NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+]	H2A	(6r,7r)-3-[(acetyloxy)methyl]-7-{[(6s)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
+C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O	H2B	2-amino-6-(1,2-dihydroxy-propyl)-7,8-dihydro-6h-pteridin-4-one
+c1cc(ccc1CN2c3ccsc3C(=O)CS2(=O)=O)F	H2C	1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one
+CC[C@H](c1ccccc1)C(=O)Nc2ccon2	H2D	(2r)-n-(1,2-oxazol-3-yl)-2-phenylbutanamide
+C[C@H](CN1CCOCC1)Oc2ccc3c(c2)Cc4cccc(c4S3)C5=CC(=O)C=C(O5)N6CCOCC6	H2E	2-morpholin-4-yl-6-[7-[(2~{r})-1-morpholin-4-ylpropan-2-yl]oxy-9~{h}-thioxanthen-4-yl]pyran-4-one
+Cc1ccc(s1)CNC[C@H](C)O	H2G	(2s)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
+C[C@@](CCN1Cc2cc(cn2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C	H2H	(2~{r})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+COc1ccc(cc1)CC(=O)Nc2cccc(c2)Cl	H2J	n-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide
+c1cc(c(cc1Cl)NC(=O)Nc2cnc(cn2)C#N)O[C@@H]3CCNC3	H2K	1-{5-chloro-2-[(3r)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea
+c1ccc2c(c1)c(c[nH]2)CCNS(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4	H2L	1-[3-[2-(1h-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea
+c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O	H2M	1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2h-pyrrol-2-one
+C[C@@](CCN1C=C(OC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C	H2N	(2~{r})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OP(=O)(O)O	H2P	1-deoxy-2-o-phosphono-alpha-d-gluco-hept-2-ulopyranose
+C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC3(CC3)CO)(C(=O)NO)S(=O)(=O)C	H2Q	(2~{r})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)Nc4cccnc4	H2R	n-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide
+S	H2S	hydrosulfuric acid
+C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	H2U	5,6-dihydrouridine-5'-monophosphate
+CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CN)O	H2V	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate
+c1cc2c(c(c1)F)C=C(NC2=O)c3ccc(cc3)Cl	H2W	3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2h)-one
+C/C(=N\C(C)(C)NCc1cc(ccc1O)Br)/c2cccc(c2)OC	H2X	4-bromanyl-2-[[2-[(e)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol
+COc1ccc(cc1)CC(=O)Nc2cccnc2	H2Y	2-(4-methoxyphenyl)-n-(pyridin-3-yl)acetamide
+C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc3ccc(cc3)CN4CCOCC4)(C(=O)NO)S(=O)(=O)C	H2Z	(2~{r})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-~{n}-oxidanyl-butanamide
+CN1CCCC(=CC1)c2cc3c(cc2OC)C4(CCC4)C(=N3)N	H30	5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine
+Cc1ccc(cc1)c2ccccc2N3CCCC3=O	H31	1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one
+c1cc2c(c(c1)C(=O)O)C(=O)N(C2)c3ccc(c(c3)F)O	H32	2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{h}-isoindole-4-carboxylic acid
+CN1c2c([nH]c(n2)Cl)C(=O)N(C1=O)C	H33	8-chloro-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+c1cc2c(cc1Cl)nc3c(c2N)[C@H]4C[C@@H](C3)C=C(C4)CCCCn5cc(nn5)CO	H34	(1-{4-[(7s,11s)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]butyl}-1h-1,2,3-triazol-4-yl)methanol
+c1cc(oc1)CNc2c3c(nc[nH]3)ncn2	H35	n-(furan-2-ylmethyl)-7h-purin-6-amine
+[H]/N=C(\Nc1cc(ccc1)OCCOc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4	H36	n,n'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)N	H37	d-phenylalanyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-l-phenylalaninamide
+[H]/N=C(\Nc1cc(ccc1)c2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4	H38	n,n'-biphenyl-3,3'-diyldithiophene-2-carboximidamide
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3cc[nH]c3	H39	5-[(2s)-4-methyl-2-{[(1h-pyrrol-3-ylacetyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid
+COc1cccc(c1)CC(=O)Nc2cccc(c2)Cl	H3A	n-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide
+C[Si](C)(C)CCCS(=O)(=O)O	H3B	3-trimethylsilylpropane-1-sulfonic acid
+C[C@]1(C=CSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	H3C	n-[3-[(4s)-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+CC(=O)NC1(CCCC1)c2ccc3c(c2)OCCO3	H3D	n-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
+Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cnn(c4)Cc5ccccc5	H3E	5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine
+Cc1cc(nc2c1c(c(cc2N[C@@H](C)CCCN)OC)Oc3cccc(c3)C(F)(F)F)OC	H3F	tafenoquine
+CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2	H3G	(4-tert-butylpiperidin-1-yl)(phenyl)methanone
+CC(C)Oc1cccc(c1)c2coc3c2nc(cc3)c4cnn(c4)C	H3H	5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine
+CC1=C(C(=O)C=C1)Oc2cccnc2	H3J	3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one
+c1cc(c(cc1Br)NC(=O)Nc2cnc(cn2)C#N)N3CCC[C@H](C3)O	H3K	1-{5-bromo-2-[(3r)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea
+C[C@@H](c1ncnn1C)N	H3L	(1s)-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
+CC1=C[C@@H](OC1=O)O	H3M	(5r)-5-hydroxy-3-methylfuran-2(5h)-one
+Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)Oc5ccccc5	H3N	5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
+c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	H3P	2,2'-methanediylbis(3,4,6-trichlorophenol)
+Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)C5CCC5	H3Q	3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
+Cc1cc([nH]n1)c2ccccc2	H3R	5-methyl-3-phenyl-1h-pyrazole
+C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)CO)C(=O)[O-]	H3S	heparin disaccharide iii-s
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC	H3T	phospholipid pg(16:0/cy17:0)
+Cc1ccc(cc1NC(=O)c2cccc(c2)N)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	H3U	8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid
+c1ccc(cc1)CC(=O)Nc2ccon2	H3V	n-(1,2-oxazol-3-yl)-2-phenylacetamide
+CCC(C)(c1ccc(cc1)O)c2ccc(cc2)O	H3W	bisphenol-b
+C[C@H]1CC[C@@H]2[C@@]([C@]13C[C@@]4([C@H]([C@@H](C(=O)C(=C4O3)C)C(=O)OC)C)C)(CCC(=O)OC2(C)C)C	H3X	methyl (3'~{a}~{r},4'~{s},5'~{s},5~{a}~{s},6~{s},7~{s},9~{a}~{r})-1,1,3'~{a},4',5~{a},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{h}-1-benzofuran]-5'-carboxylate
+c1ccc(cc1)[C@H]2C[C@@H]([C@]34CNC[C@H]3C[C@H]2N4)O	H3Y	(3ar,4s,6r,7r,8ar)-6-phenyloctahydro-1h-3a,7-epiminocyclohepta[c]pyrrol-4-ol
+CC(C)c1ccc(cc1)O	H3Z	4-propan-2-ylphenol
+CCN([C@H]1CN(N=C1c2ccc(c(c2)Cl)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO	H41	n-[1-(n'-cyano-n-[3-(difluoromethoxy)phenyl]carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1h-pyrazol-4-yl]-n-ethyl-2-hydroxyacetamide
+c1cc2c(cc1O)CCCC2	H42	5,6,7,8-tetrahydronaphthalen-2-ol
+C[C@H](c1cccc2c1cccc2)N[C@H]3CCN(C3)c4ccc(cc4)CC(=O)O	H43	2-[4-[(3s)-3-[[(1r)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid
+[H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)N/C(=N/[H])/c4cccs4	H44	n-(4-{2-[(3-{[(e)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
+[H]/N=C(\c1cccs1)/Nc2cccc(c2)CCNCc3cccc(c3)N/C(=N\[H])/c4cccs4	H45	n-(3-{2-[(3-{[(z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
+CCN(CC)C(=O)[C@H](c1ccccc1)N2CCN(CC2)c3ccc(cc3F)NC(=O)c4ccccc4c5cccnc5	H46	~{n}-[4-[4-[(1~{s})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide
+COc1cccc(c1)CC(=O)Nc2ccon2	H47	2-(3-methoxyphenyl)-n-(1,2-oxazol-3-yl)acetamide
+CC(c1ccc(cc1)O)c2ccc(cc2)O	H48	4-[1-(4-hydroxyphenyl)ethyl]phenol
+c1cc(cc(c1)NC(=N)c2cccs2)CNC[C@@H]3CCCN3	H49	(s)-n-(3-(((pyrrolidin-2-ylmethyl)amino)methyl)phenyl)thiophene-2-carboximidamide
+c1ccc(cc1)[C@H]2C[C@H]([C@]34CNC[C@H]3C[C@H]2N4)O	H4A	(3ar,4r,6r,7r,8ar)-6-phenyloctahydro-1h-3a,7-epiminocyclohepta[c]pyrrol-4-ol
+C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O	H4B	5,6,7,8-tetrahydrobiopterin
+CCc1cc2c(s1)-[n+]3c([nH]nc3CN=C2c4ccccc4Cl)C	H4C	4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
+B(c1cc(cc(c1)NC(=O)Cc2cccs2)C(=O)O)(O)O	H4D	3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid
+CCOC(=O)c1ccc(c(c1)Br)N	H4E	ethyl 4-azanyl-3-bromanyl-benzoate
+c1cc(cnc1)NC(=O)Cc2ccc(cc2F)F	H4G	2-(2,4-difluorophenyl)-n-(pyridin-3-yl)acetamide
+c1cc(c(cc1S(=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)Cl)C#N	H4H	(1~{r},2~{s},4~{s})-~{n}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide
+c1ccc2cnc(cc2c1)NC(=O)Nc3cnc(cn3)C#N	H4K	1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea
+C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)CCCO)O	H4L	3-[4-[2-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol
+C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C	H4M	5,10-dimethylene tetrahydromethanopterin
+c1cc2c(cc[nH]2)cc1Br	H4N	5-bromanyl-1~{h}-indole
+C[C@@H](c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO)O	H4O	5-[4-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)NCP(=O)(O)O	H4P	1-deoxy-6-o-phosphono-1-[(phosphonomethyl)amino]-l-threo-hexitol
+CC[C@@H](C)c1ccc(cc1)O	H4Q	4-[(2~{r})-butan-2-yl]phenol
+C[C@@H](c1nccn1Cc2cc(on2)c3ccc(cc3)C#CC4[C@H]5[C@@H]4CN(C5)CCCC(=O)O)O	H4R	4-[(1~{r},5~{s})-6-[2-[4-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	H4S	n-[(2s,3s,4r)-3,4-dihydroxy-1-{[(1s,2s,3r,4r,5s)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide
+c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl	H4T	6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone
+CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCc3[nH]nnn3	H4U	6-ethyl-5-(4-{3-[3-(1h-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine
+COc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)I	H4V	methyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(c3)F	H4W	6-{[(3r,4r)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCCC(OC)(C)C)/C)/C)/C)\C)\C)/CCCC(OC)(C)C	H4X	(6~{e},8~{e},10~{e},12~{e},14~{e},16~{e},18~{e},20~{e},22~{e},24~{e},26~{e})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene
+COc1ccc(cc1)c2ccccc2N3CCCC3=O	H4Y	1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one
+CC1[C@@H](N(C2=C(N1)N=C(NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@H]([C@H]([C@H](CO[C@@H]4[C@@H]([C@@H]([C@@H](O4)CO[P@@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O	H4Z	5-(4-{[1-(2-amino-5-formyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)ethyl]amino}phenyl)-5-deoxy-1-o-{5-o-[(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}pentitol
+c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl	H50	1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid
+Cc1cncc2c1c(ccc2)S(=O)(=O)[N@]3CCCNC[C@@H]3C	H52	(s)-2-methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine
+c1cc(c(cc1O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	H53	(1s)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-d-glucitol
+Cc1cccc(c1)CC(=O)Nc2cccnc2	H54	2-(3-methylphenyl)-n-(pyridin-3-yl)acetamide
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N)N	H55	3,5-diamino-n-carbamimidoyl-6-(1-methyl-1h-pyrazol-4-yl)pyrazine-2-carboxamide
+c1cc(ccc1[C@@H]2[C@H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O)O	H56	(3~{r},4~{s})-1-(4-fluorophenyl)-3-[(3~{s})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one
+CC1C(C(C(N1)CCNCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O	H57	(3alpha)-[({2-[(2s,3s,4r,5s)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene
+CC1C(C(C(N1)CCNCCCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O	H58	(3alpha)-[3-({2-[(2s,3s,4r,5s)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene
+CCC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C)F)C3=CS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O	H59	n-{3-[(5s)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-4h-1,4-benzothiazin-7-yl}methanesulfonamide
+COc1cc(cc(c1OC)OC)C(=O)O	H5A	3,4,5-trimethoxybenzoic acid
+c1ccc2c(c1)c(cc(c2O)C(=O)O)Br	H5B	4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid
+CO[C@@H]1[C@@H](C(O[C@H]1n2cnc3c2NC(=O)NC3=O)CO)O	H5C	9-[(2r,3r,4r)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3h-purine-2,6-dione
+CC(=O)N1CCC[C@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl	H5D	2-{3-[(2s)-1-acetylpyrrolidin-2-yl]phenyl}-n-(3-chlorophenyl)acetamide
+CC(C)(C)c1csc(n1)CN2C(=O)C3(CC3)NC2=O	H5E	6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
+C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	H5F	6-azanyl-9-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1h-purin-2-one
+c1cc(cc(c1)O)CC(=O)Nc2cccc(c2)Cl	H5G	n-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)NC)F)F)O	H5H	(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+c1cc2c(cc1N(=O)=O)cno2	H5J	5-nitro-1,2-benzoxazole
+c1cc(cc2c1cc(cc2)NC(=O)Nc3cnc(cn3)C#N)C(=O)O	H5K	6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(c(c4)O)O)O	H5L	s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (e)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enethioate
+C[C@H]1C[C@@H]([C@H](N1)C(=O)O)O	H5M	trans-3-hydroxy-5-methylproline
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N=[N+]=[N-])F)F)O	H5N	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+CO[C@@H]1[C@H]([C@H]([C@H](O[C@H]1S[C@@H]2COC[C@@H]([C@H]2O)n3cc(nn3)c4cncnc4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F	H5O	(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-5-methoxy-6-[(3r,4r,5s)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol
+C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O	H5P	hydantocidin-5'-phosphate
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N)F)F)O	H5Q	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4	H5R	2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine
+Cc1cc(ccc1F)CN2[C@H](C(=C(C2=O)C3=NS(=O)(=O)c4c3ccc5c4CN(CC5)S(=O)(=O)C)O)C(C)(C)C	H5S	(5s)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2h-pyrrol-2-one
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)O)F)F)O	H5T	(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(cc2)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O	H5U	n-({3-[(5s)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide
+C[C@]1([C@@H]([C@H](O[C@H]1n2ccc3c2ncnc3N)CO)O)O	H5V	7-(2-c-methyl-beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCC/C=C/c3cccc(c3)F	H5W	6-{[(3r,4r)-4-{[(3e)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CCN(CCN(C)C)C(=O)c1cnn(c1c2ccc(cc2)OC)c3cc(ccn3)C(=O)O	H5Y	2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1h-pyrazol-1-yl]pyridine-4-carboxylic acid
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)F)F)F)O	H5Z	(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CCCC[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	H60	(2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]hexanamide
+c1ccc2c(c1)nc(n2CCN3CCCCC3)c4cc5c(s4)c(ccn5)C(=O)O	H61	2-{1-[2-(piperidin-1-yl)ethyl]-1h-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid
+C1[C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)N	H62	(1~{r},2~{r},3~{r},4~{s},6~{s})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid
+CCCC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	H63	(2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]hexanamide
+CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3Br)OCO4	H64	8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)C3CCN(CC3)C	H65	4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine
+CC[C@H]1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)C1	H66	2-{[(7s)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-n-[2-(piperidin-1-yl)ethyl]acetamide
+C[C@@H](c1cnn(c1c2cccc(c2)c3ccccc3)c4cc(ccn4)C(=O)O)OCCN5CCCCC5	H67	2-[5-([1,1'-biphenyl]-3-yl)-4-{(1s)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1h-pyrazol-1-yl]pyridine-4-carboxylic acid
+COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC	H68	tetrahydrocolumbamine
+c1cc(c(cc1C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl	H69	6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)c2c(cnn2c3cc(ccn3)C(=O)O)[C@@H](c4ccccc4)OCCN5CCCCC5	H6A	2-(5-phenyl-4-{(r)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrazol-1-yl)pyridine-4-carboxylic acid
+CN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@@H]2C(=O)O)O)O)O	H6B	(1~{r},2~{r},3~{r},4~{s},5~{s},6~{r})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid
+C[S@@](=O)C1=C(C(=O)NC(=C1)c2cccc(c2)OC(F)(F)F)C#N	H6D	4-[(r)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile
+C1CCC2(CC1)CCN(C2)S(=O)(=O)C[C@@H]3CCCOC3	H6E	2-[[(3~{r})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccc3ccccc3c2	H6F	~{n}-[(2~{s})-3-methyl-1-[[(2~{s})-4-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide
+C=CC(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O	H6G	n-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
+CN(C)c1c2cc(n(c2nc(n1)NCCc3ccc4ccccc4c3)CCC(=O)N)C(=O)N(CCCCN)CC(=O)N	H6H	~{n}-(4-azanylbutyl)-~{n}-(2-azanyl-2-oxidanylidene-ethyl)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(dimethylamino)-2-(2-naphthalen-2-ylethylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
+C=CS(=O)(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O	H6J	n-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine
+c1ccc(cc1)c2cc(n[nH]2)NC(=O)Nc3cnc(cn3)C#N	H6K	1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1h-pyrazol-3-yl)urea
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)[N+](=O)[O-]	H6L	~{n}-[(2~{s})-3-methyl-1-[[(2~{s})-4-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
+c1ccnc(c1)c2nc(cc(n2)N3CCCN(CC3)C(=O)CO)NCCC(=O)O	H6M	n-{6-[4-(hydroxyacetyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine
+c1cc(c(cc1C=O)O)O	H6N	protocatechuic aldehyde
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC[C@@H](CO)O	H6O	(2s)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol
+C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CO	H6P	(2e)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
+C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	H6Q	2-o-[(r)-{[(2s)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-d-glucopyranose
+C#CC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	H6R	(2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pent-4-ynamide
+CN1CCC[C@H]1CCO[C@H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O	H6S	2-[(r)-(2-chlorophenyl){2-[(2s)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid
+CN1CCC[C@H]1CCO[C@@H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O	H6T	2-[(s)-(2-chlorophenyl){2-[(2s)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid
+c1ccc(cc1)[C@H](CNCCc2ccc(cc2)NC(=O)Cc3csc(n3)N)O	H6U	2-(2-azanyl-1,3-thiazol-4-yl)-n-[4-[2-[[(2r)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide
+c1cc(cc(c1)N)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	H6V	2-{(r)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+CN(C)CCCNc1ccn2c(n1)c(cn2)c3ccc4c(c3)OCO4	H6W	~{n}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{n}',~{n}'-dimethyl-propane-1,3-diamine
+CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3OC)Nc4ncc(cn4)CCc5cc(cc(c5)OC)OC	H6X	5-[2-(3,5-dimethoxyphenyl)ethyl]-n-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N	H6Y	8-oxo-adenosine-5'-triphosphate
+C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	H6Z	2-o-[(r)-{[(2s)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose
+c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl	H70	2,4-dichloro-6-(3,4,5-tribromo-1h-pyrrol-2-yl)phenol
+CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4	H71	8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine
+c1cc(cnc1)CNc2ccn3c(n2)c(cn3)c4ccc(cc4)C(=O)N	H72	4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@H](C[C@@H]3C(=O)O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C	H73	5'-s-[(2r,4r)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine
+C=CC(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	H74	2-{(r)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+c1cc(ccc1N2C=C3CCCCN3C2=O)Br	H75	2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2h)-one
+C[C@H]1[C@H]([C@H]([C@@H](N1)C#C)O)O	H76	(2s,3s,4r,5s)-2-ethynyl-5-methylpyrrolidine-3,4-diol
+CN(C)C/C=C/C(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	H77	2-{(r)-(3-{[(2e)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+c1cc(cc(c1)c2cccc(c2)NS(=O)(=O)c3cccc(c3)S(=O)(=O)Nc4cccc(c4)c5cccc(c5)CC(O)(P(=O)(O)O)P(=O)(O)O)CC(O)(P(=O)(O)O)P(=O)(O)O	H78	[1-oxidanyl-2-[3-[3-[[3-[[3-[3-(2-oxidanyl-2,2-diphosphono-ethyl)phenyl]phenyl]sulfamoyl]phenyl]sulfonylamino]phenyl]phenyl]-1-phosphono-ethyl]phosphonic acid
+C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)C/C=C/C34[C]5[Fe]3678912([C]5[C]6[C]74)[C]3[C]8[C]9[C]1[C]23)O)O	H79	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-1-{3-[4-(3,4-dihydroxy-5-methylpyrrolidin-2-yl)-1h-1,2,3-triazol-1-yl]prop-1-en-1-yl}cyclopentadienyl]iron
+Cc1c(c(c(o1)C)S(=O)(=O)N[C@@H]2CCOc3c2cc(cc3)F)C(=O)O	H7A	4-{[(4r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)N4CCC(CC4)N(C)C)c5ccc(cc5)Cl)OC	H7B	2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
+COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SC4CCNCC4	H7C	2,7-dimethoxy-9-piperidin-4-ylsulfanyl-acridine
+C1CCC[C@@H]([C@@H](CC1)C(=O)O)NS(=O)(=O)N2CCCC2	H7D	(1r,2s)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)Nc4ccc(cc4)N5CCC(CC5)[N+](C)(C)C)c6ccc(cc6)Cl)OC	H7E	[1-[4-[2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium
+COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CCNCC4	H7F	[2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol
+c1cc(cc(c1)NS(=O)(=O)c2cccc(c2O)Cl)CC(=O)O	H7G	(3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid
+C\C=C\CC(C(=O)C)n1cc(nn1)[C@](C)(C(C)C)NC(=O)c2ccccc2	H7J	n-[(1s)-1-{1-[(1r,3e)-1-acetylpent-3-en-1-yl]-1h-1,2,3-triazol-4-yl}-1,2-dimethylpropyl]benzamide
+COC(=O)c1ccc(o1)c2c3c(n[nH]2)-c4ccc(cc4C3)CNC5CCC(CC5)O	H7K	methyl 5-(6-{[(cis-4-hydroxycyclohexyl)amino]methyl}-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)furan-2-carboxylate
+COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CNC4	H7L	[9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol
+Cn1cnnc1Sc2ccccc2NS(=O)(=O)c3cccc(c3O)Cl	H7M	3-chloro-2-hydroxy-n-{2-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide
+CCCCCC[P@@](=O)(O)OCCCC	H7N	butoxy(hexyl)phosphinic acid
+COc1ccc2c(c1)c(c3cc(ccc3n2)OCc4ccccc4)SCC5CCNCC5	H7O	2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine
+C[C@H](C1CCC(CC1)c2ccnc3c2cc(cc3)F)C(=O)Nc4ccc(cc4)Cl	H7P	(2r)-n-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
+c1ccc2c(c1)CN(C2)CCCOc3cc4c(cc3OCC5CC5)C6(CCCC6)C(=N4)N	H7Q	5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine
+COc1ccc2c(c1)c(c3c(n2)sc(n3)SC)SCC4CCNCC4	H7R	7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline
+c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O	H7S	(3s)-3-(5-fluoro-1h-indol-3-yl)pyrrolidine-2,5-dione
+CC1(c2cc(c(cc2N=C1N)OCCCN3Cc4ccc(cc4C3)OCCc5cn(nn5)CC(=O)N6CCC(CC6)CCN7CCCC7)OCC8CC8)C	H7T	2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
+CC(C)Oc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4	H7U	2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine
+CN[C@@H](CC1CCCCC1)C(=O)O	H7V	3-cyclohexyl-n-methyl-l-alanine
+C[C@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N	H7W	(1~{s})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{h}-isoindole-4-carboxamide
+COc1ccc2c(c1)c(c3cc(cc(c3n2)C(=O)O)OC)SCC4CCNCC4	H7X	2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid
+C/C=C/c1ccc(c(c1)OC)O	H7Y	isoeugenol
+C[C@@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N	H7Z	(1~{r})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{h}-isoindole-4-carboxamide
+COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@H]4CCNC4	H80	[2,7-dimethoxy-9-[[(3s)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
+C[NH+]1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc5c4C(=O)CC5)C(F)(F)F	H82	3-methoxy-~{n}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
+c1ccc(cc1)c2ccc(cc2Cl)CNCCCCN	H83	~{n}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)N	H84	2'-deoxy-5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
+CCCCCCCCCCOc1cc(c[n+](c1)CC(P(=O)(O)O)P(=O)(O)O)c2cc(cc(c2)F)F	H86	3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium
+Cc1ccc(cc1NC(=O)CCO)N2c3c4ccc(cc4ncc3C=CC2=O)c5ccc(cc5)NS(=O)(=O)C	H88	~{n}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide
+c1ccc(cc1)COc2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O	H89	6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+C[C@H]1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)C#N	H8A	3-{[(3r)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile
+CNCc1ccccc1OCc2ccc3ccc(nc3c2)N	H8B	7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
+Cc1c(c(on1)C)c2ccc3c4c2cccc4C(=O)N3[C@H](C)c5ccccc5	H8C	6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1r)-1-phenylethyl]benzo[cd]indol-2-one
+CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C	H8D	(8beta)-n-[(2s)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide
+CN(c1ccccc1)NC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)C(=O)NCc2ccccc2)NC(=O)OCc3ccccc3	H8E	benzyl-n-[(2s)-1-[[(3s)-7-amino-1-(benzylamino)-1,2-dioxoheptan-3-yl]amino]-5-(2-methyl-2-phenylhydrazinyl)-1,5-dioxopentan-2-yl]carbamate
+CC(C)(C)c1cc(c(c(c1)O)CN)C(C)(C)C	H8F	2-(aminomethyl)-3,5-ditert-butyl-phenol
+CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C	H8G	n,n-diethyl-n'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea
+CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl	H8H	n-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2h-pyran-4-yloxy)quinazolin-4-amine
+CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C	H8J	(8alpha)-n-[(2s)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide
+c1cc-2c(cc1CNC3CCC(CC3)O)Cc4c2n[nH]c4c5ccoc5	H8K	trans-4-({[3-(furan-3-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-yl]methyl}amino)cyclohexanol
+Cc1c(c(c(c(n1)C)C(=O)OCC(C)C)c2ccccc2NO)C(=O)OC	H8L	o3-methyl o5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate
+Cc1ccc2c(c1)c3c([nH]2)[C@@H](NCC3)Cc4ccc(c(c4Cl)OC)OC	H8M	(1s)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1h-beta-carboline
+c1cc(ccc1C#N)O	H8N	4-hydroxybenzonitrile
+c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]([C@@H]3CCCCN3)O	H8O	(s)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2s)-piperidin-2-yl]methanol
+CC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N([C@H](C(=O)N3C[C@@H](C(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)CS[C@@H]6CN7CCC6CC7)Cc8ccc(cc8)N(C)C)C	H8Q	~{n}-[(3~{s},6~{r},12~{r},15~{s},16~{s},19~{s},22~{s},25~{s})-25-[[(3~{s})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide
+CCCCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O	H8R	(2~{s})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)C(C)C)C3CCCCC3	H8S	n-{(1s)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)n3cccc3C(=O)O[C@@H]1C(C)C)O)/C	H8T	(10~{r},11~{r},12~{e},17~{e},19~{e},21~{s})-11,19-dimethyl-21-oxidanyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),4,6,12,17,19,25(28)-heptaene-2,8,14,23-tetrone
+C[C@]1(CCN2[C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)c6ccc7c(c6NC5=O)OC=CC(O7)(C)C)N(C3=O)C)O	H8U	paraherquamide a
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@H](C)CCN3CCOCC3)C4CCCCC4	H8V	(2r)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide
+CC(C)CN1CCc2c(ccc3c2cn[nH]3)[C@H]1c4ccc(cc4)CCC(=O)O	H8W	3-[4-[(6~{r})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid
+CS(=O)(=O)N(Cc1ccco1)C[C@@H](Cn2c3ccccc3c4c2cccc4)O	H8X	n-[(2r)-3-carbazol-9-yl-2-oxidanyl-propyl]-n-(furan-2-ylmethyl)methanesulfonamide
+C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)C#C)c(ncn3)N	H8Z	1-[(3~{r})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
+c1ccc(cc1)C(=O)c2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O	H90	6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+CN(C)CC1CCC(CC1)N2c3c4cc(ccc4ncc3CNC2=O)c5cc(c(c(c5)Cl)O)Cl	H91	9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1h)-one
+c1cc(ccc1c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4)C(=O)N	H92	4-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide
+CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C1N	H93	2-azanyl-9-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one
+c1c(c(cnc1N2CCC(CC2)c3c4c(n[nH]3)NC(=O)C[C@@]4(C(F)(F)F)O)C#N)C(F)(F)F	H94	6-{4-[(4r)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2h-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile
+C[C@H](CC[C@H](C)O)O	H95	(2~{s},5~{r})-hexane-2,5-diol
+COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@@H]4CCNC4	H96	[2,7-dimethoxy-9-[[(3r)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
+C[C@]12CCC/C(=C\C=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O	H97	(1r,3r,7e,17beta)-17-[(1r)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol
+C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)O)O	H98	~{n}-[5-[(1~{r})-2-[[(2~{r})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide
+COc1ccc2c(c1)c(c3cc(cc(c3n2)C(F)F)OC)SCC4CCNCC4	H99	4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine
+CCP(=O)(O)OC(C)C	H9A	propan-2-yl hydrogen (r)-ethylphosphonate
+CC[C@@H](C(=O)N[C@@]1(C[C@@H]1c2ccc(cc2)c3ccc(cc3)C(F)(F)F)CN)N	H9B	(2~{s})-~{n}-[(1~{r},2~{r})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide
+c1cc2c3c4c1C=CC=[N]4[Pt]5([N]3=CC=C2)[N]6=C7C(=CC=C6)C=CC8=C7[N]5=CC=C8	H9C	bis(1,10-phenanthroline)platinum(ii)
+[B-](c1cc2cc(ccc2s1)CBr)(O)(O)O	H9E	[5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
+C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO	H9F	2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
+C[C@H]1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)c5[nH]nnn5	H9G	(3r)-3-methyl-4-[3-(1h-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3ccc(cc3)[C@H]4C[C@@]4(C#N)NC(=O)C5(CCCCC5)N	H9H	1-azanyl-~{n}-[(1~{r},2~{r})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide
+CCc1c(c(nc(n1)N)N)OCC2(COC2)COc3ccccc3CCC(=O)O	H9I	3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid
+C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)NC(=O)C(F)(F)F)O)O)O	H9J	2,2,2-trifluoro-n-[(1r,2r,3r,4r,5r,6r)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
+c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5ccc(cc5C4)O	H9K	3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@@H](C)CCN(C)C)C3CCCCC3	H9M	(2s)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide
+B1(c2ccccc2[C@@H](O1)C(=C)C(=O)O)O	H9O	2-[(3r)-1-oxidanyl-3h-2,1-benzoxaborol-3-yl]prop-2-enoic acid
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@@H](C)Cn3ccnc3)C4CCCCC4	H9P	n-[(1s)-1-cyclohexyl-2-{[(2s)-3-(1h-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide
+c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O2)O)O	H9R	2-[3,4-bis(oxidanyl)phenyl]-6-[(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)/C=C/CN3CCOCC3)C4CCCCC4	H9S	(2e)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide
+C([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@H]1O)O)O)O	H9T	(1~{s},2~{s},3~{s},4~{s},5~{r},6~{s})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
+C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C	H9U	(2r)-2-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-3-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid
+c1cc(ccc1c2c(cc(cc2F)Cl)F)[C@@H]3[C@@H](N[C@H]3C#N)CF	H9V	(2r,3s,4r)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile
+c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cn4c3cc(c4)C#N)F	H9Y	8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)N[C@H]6CCCN(C6)C	H9Z	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-[(3~{s})-1-methylpiperidin-3-yl]pyridine-4-carboxamide
+CCC[C@H](CC1(CCCC1)C(=O)N[C@H](Cc2ncc(o2)c3ccccc3)C(=O)O)C(=O)O	HA0	heteroarylalanine 5-phenyl oxazole
+c1nc2c(n1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N	HA1	9-(5,5-difluoro-5-phosphonopentyl)guanine
+c1ccc(cc1)COc2ccc(cc2)C[C@@H](CN(C(=O)CCCCC(=O)O)O)N	HA2	6-[{(2s)-2-amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid)
+c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(=O)NO	HA3	n-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)carbonyl]thiophene-2-carboxamide
+C1c2c(onc2O)CN[C@H]1C(=O)O	HA5	(5r)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid
+c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3	HA6	2-(1h-pyrazol-4-yloxy)-3h-pyrido[3,4-d]pyrimidin-4-one
+C1CN[C@@H](c2c1c(no2)O)C(=O)O	HA7	(7s)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid
+C=CC\C=N\c1c2c(nc[nH]2)ncn1	HA8	n6-(buta-2,3-dienyl)adenine
+c1cc(c(cc1CC(=O)O)O)O	HAA	2-(3,4-dihydroxyphenyl)acetic acid
+c1ccc(c(c1)C(=O)O)/N=N/c2ccc(cc2)O	HAB	2-((4'-hydroxyphenyl)-azo)benzoic acid
+C1CCC(CC1)C[C@@H](C(=O)O)N	HAC	beta-cyclohexyl-alanine
+C(C(=O)O)N(C(=O)O)O	HAD	(carboxyhydroxyamino)ethanoic acid
+CC(=O)NO	HAE	acetohydroxamic acid
+CC(C)(C)OC(=O)N1CC2=C(C1)N=C(N(C2=O)C)N[C@@H]3C[C@@H](CN(C3)C)c4ccccc4	HAF	tert-butyl 3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
+CCCCC[C@@H]1[C@H](C[C@@H](O1)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	HAG	4-s-glutathionyl-5-pentyl-tetrahydro-furan-2-ol
+c1ccc(c(c1)CN[C@@H]2C=C[C@H]([C@@H]([C@H]2O)O)O)O	HAH	(1s,2s,3r,6r)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol
+C1CCC(CC1)[NH3+]	HAI	cyclohexylammonium ion
+c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N	HAJ	5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)Nc6cncnc6	HAK	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-pyrimidin-5-yl-pyridine-4-carboxamide
+c1ccc(cc1)CCNC(=O)CO[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)CCCC(=O)O)O	HAL	n-{[2-({[1-(4-carboxybutanoyl)amino]-2-phenylethyl}-hydroxyphosphinyl)oxy]acetyl}-2-phenylethylamine
+c1c(nc[nH]1)C[C@@H](C(=O)O[P@](=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[NH3+]	HAM	histidyl-adenosine monophosphate
+Cc1cc2c(cc1C)n(c(n2)N)CCCCC(=O)O	HAN	2-amino-5,6-dimethyl-benzimidazole-1-pentanoic acid
+COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O	HAO	{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC	HAP	(n-(2-hydroxamatemethylene-4-methyl-pentoyl)phenylalanyl)methyl amine
+c1cc2c3c(c1)C[C@H](N3C(=O)[C@H](CC2)N)C(=O)O	HAQ	5-amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indole-2-carboxylic acid
+C(C[C@@H](C(=O)O)N)CNC(=N)NO	HAR	n-omega-hydroxy-l-arginine
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=CC6=[N]7[Fe@]3(N45)[N]8=C(C=C7C(=C6CCC(=O)O)C=O)C(=C(C8=C2)[C@H](CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)O)C)CCC(=O)O)C	HAS	heme-as
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)N[C@H]6CCN(C6)C	HAT	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-[(3~{s})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
+Cc1ccc(nc1)NC(=O)C2CCN(CC2)C(=O)C	HAU	1-acetyl-n-(5-methylpyridin-2-yl)piperidine-4-carboxamide
+CC(C)[C@H](C(=O)NO)N	HAV	hydroxyaminovaline
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5ccccc5S(=O)(=O)NCc6cncnc6	HAW	2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(pyrimidin-5-ylmethyl)benzenesulfonamide
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)NO)O	HAX	n-hydroxyamidocarboxymethyldethia coenzyme *a
+C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C	HAY	(2r)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+C[C@]12CCC[N@@+]([C@@H]1CCC3([C@H]2O3)C)(CC(=O)Nc4ccc(cc4)NC(=O)CCCC(=O)O)[O-]	HAZ	4-{4-[2-(1a,7a-dimethyl-4-oxy-octahydro-1-oxa-4-aza-cyclopropa[a]naphthalen-4-yl) -acetylamino]-phenylcarbamoyl}-butyric acid
+C1CC(CCC1CO)O	HB0	trans-4-(hydroxymethyl)cyclohexanol
+c1ccc2c(c1)-c3c4c(c5c6c3[NH]2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7[CH]8=C9=[CH]12)C#O)C(=O)NC4=O	HB1	ruthenium-pyridocarbazole-1
+CCCCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N	HB2	1-(4-amino-2-butyl-1h-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
+c1nc([nH]n1)SCCN	HB3	2-(1h-1,2,4-triazol-5-ylsulfanyl)ethanamine
+c1cc2c(cc1c3c4cc[nH]c4ncn3)[C@H](CC2)NC=N	HB4	n-[(1s)-6-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]imidoformamide
+[H]/N=C/[C@]1(C[C@@H]1c2ccc(cc2)c3ccc(cc3)S(=O)(=O)N4CCN(CC4)C)NC(=O)[C@H](Cc5cccs5)N	HB5	(2~{s})-2-azanyl-~{n}-[(1~{r},2~{r})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide
+CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NCc3ccccc3	HB7	n-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-n-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide
+[B-](c1cc2cccc(c2s1)NC(=O)OC(C)(C)C)(O)(O)O	HB8	[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
+c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCO	HB9	~{n}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide
+c1cc(ccc1C=O)O	HBA	p-hydroxybenzaldehyde
+CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)c3ccccc3	HBB	n-{(2r)-2-hydroxy-2-[(8s,11s)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-n-isopentylbenzenesulfonamide
+c1ccc(cc1)[C@@H]2[C@H]3CC[C@H](C3)[C@@]2(C(=O)c4ccccc4)N	HBC	(2-amino-3-phenyl-bicyclo[2.2.1]hept-2-yl)-phenyl-methanone
+c1cc(ccc1C(=O)N)O	HBD	4-hydroxybenzamide
+C([C@@H]1[C@@H]([C@@H]([C@H](C2[C@H]1O2)O)O)O)O	HBE	(2~{r},3~{s},4~{s},5~{r},6~{s})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC=CC34C5=C6[Fe]5378913(C6=C74)[c-]4c8c9c1c43)NC(=O)N2	HBF	ferrocene homobiotin derivative
+Cc1cc(cc(c1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NC3CCCCC3)C	HBG	n-[2-(cyclohexylamino)-2-oxoethyl]-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide
+CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)CC(=O)N)O)S(=O)(=O)c3ccccc3	HBH	2-[(8s,11s)-11-{(1r)-1-hydroxy-2-[isopentyl(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide
+C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O	HBI	7,8-dihydrobiopterin
+Cc1ccc(cc1)NC(=O)CN(Cc2ccc(cc2)C(=O)NO)C(=O)c3ccc(cc3)N(C)C	HBJ	4-(dimethylamino)-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-n-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide
+COc1ccc2c(c1)O[C@@H](C(=O)N2O)O	HBK	(2s)-2,4-dihydroxy-7-methoxy-2h-1,4-benzoxazin-3(4h)-one
+C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O	HBL	7,8-dihydro-l-biopterin
+CS(=O)(=O)Nc1ccc(cc1)CCNC(=O)c2ccc(c3c2[nH]c(n3)c4ccc(cc4Cl)Cl)O	HBM	2-(2,4-dichloro-phenyl)-7-hydroxy-1h-benzoimidazole-4-carboxylic acid [2-(4-methanesulfonylamino-phenyl)-ethyl]-amide
+c1ccc2cc(ccc2c1)NC(=O)C(Cc3cnc[nH]3)N	HBN	n-(2-naphthyl)histidinamide
+COc1ccc2c(c1)O[C@H](C(=O)N2O)O	HBO	2,4-dihydroxy-7-(methyloxy)-2h-1,4-benzoxazin-3(4h)-one
+c1cc[n+](c(c1)\C=N\O)CCCCCCC[n+]2ccccc2\C=N\O	HBP	1,7-heptylene-bis-n,n'-syn-2-pyridiniumaldoxime
+CC[C@H]1C(=O)Nc2ccc(cc2N1C(=O)OC(C)C)F	HBQ	isopropyl (2s)-2-ethyl-7-fluoro-3-oxo-3,4-dihydroquinoxaline-1(2h)-carboxylate
+C[C@H](C(=O)C)O	HBR	r,3-hydroxybutan-2-one
+C[C@@H](C(=O)C)O	HBS	s,3-hydroxybutan-2-one
+C[C@H]1CCc2c(sc(c2C(=O)N)NC(=O)c3ccccc3[N+](=O)[O-])C1	HBT	(6s)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+C[P@](=O)(CC(=O)CC(=O)O)O	HBU	4-[hydroxy-[methyl-phosphinoyl]]-3-oxo-butanoic acid
+CN(Cc1ccc(cc1F)C(=O)NO)CC23CC4CC(C2)CC(C4)C3	HBV	3-fluoro-n-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide
+CNC(=O)[C@@H]1CCCN1S(=O)(=O)c2ccc(c(c2Cl)COc3cccc4c3nc(cc4n5ccnc5)C(F)(F)F)Cl	HBW	(2~{s})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{n}-methyl-pyrrolidine-2-carboxamide
+c1ccc(cc1)C=O	HBX	benzaldehyde
+CC(C)OC(=O)N1c2cc(ccc2NC(=S)[C@@H]1CSC)OC	HBY	(s)-4-isopropoxycarbonyl-6-methoxy-3-methylthiomethyl-3,4-dihydroquinoxalin-2(1h)-thione
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	HBZ	n-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)C=O	HC0	2 iron/2 sulfur/6 carbonyl/1 water inorganic cluster
+C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)[OH2]	HC1	2 iron/2 sulfur/5 carbonyl/2 water inorganic cluster
+CC(C)CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O	HC2	20-hydroxycholesterol
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	HC3	25-hydroxycholesterol
+c1cc(ccc1\C=C\C(=O)O)O	HC4	4'-hydroxycinnamic acid
+CCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	HC5	(r)-3-carboxy-2-(hexanoyloxy)-n,n,n-trimethylpropan-1-aminium
+C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)[C@]4(C[N+](CCO4)(C)C)O)O)C	HC6	(2s,2's)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium)
+C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)C(=O)C[N+](C)(C)CCOP(=O)(O)O)O)C	HC7	(2s)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium
+CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC	HC8	1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O	HC9	(3alpha,8alpha,22r)-cholest-5-ene-3,22-diol
+C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O	HCA	3-hydroxy-3-carboxy-adipic acid
+CC1=C2[C@]([C@H]([C@H]3N2[Co]45[N+]6=C1[C@H](C(C6=CC7=[N+]4C(=C(C8=[N+]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@@](=O)([O-])O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)O)CO	HCB	5-hydroxybenzimidazolylcobamide
+c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O	HCC	2',4,4'-trihydroxychalcone
+CC(C)CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O	HCD	(3alpha,8alpha)-cholest-5-ene-3,20-diol
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCC[C@@H](C(=O)O)N	HCE	{(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-l-methionine
+C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)NCC(=O)O	HCG	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-glycine
+[B-](c1cc2cccc(c2s1)C(=O)O)(O)(O)O	HCH	(7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide
+c1ccc(cc1)CCC(=O)O	HCI	hydrocinnamic acid
+c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)OC[C@@H]3CN4C=CC(=O)N=C4O3	HCJ	(2s)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7h-[1,3]oxazolo[3,2-a]pyrimidin-7-one
+COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3)C(=O)O	HCK	4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid
+c1c(cc(c(c1[C@@H](C(=O)O)N)Cl)O)O	HCL	(2s)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid
+CSSCC[C@@H](C(=O)O)N	HCM	(2s)-2-amino-4-(methyldisulfanyl)butanoic acid
+C1OC[S@H]2[Fe]3([S@@H]1[Fe]2(C3=O)(C=O)(C#N)[OH2])(C=O)C#N	HCN	2 iron/2 sulfur/3 carbonyl/2 cyanide/water/methylether cluster
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C(=C)O)C)C)CCC(=O)O	HCO	2-acetyl-protoporphyrin ix
+Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2(CCCC2)P(=O)(O)O)O	HCP	1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]cyclopentylphosphonic acid
+[B-](c1cc2cc(ccc2s1)CN)(O)(O)O	HCQ	[5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C	HCR	7-hydroxycholesterol
+C(CS)[C@@H](C(=O)O)N	HCS	2-amino-4-mercapto-butyric acid
+C(CC(=O)O)[C@H](CC(=O)O)C(=O)O	HCT	(2r)-butane-1,2,4-tricarboxylic acid
+c1nc2c(n1CC[C@H](CO)COP(=O)(O)O)NC(=NC2=O)N	HCU	[(2r)-4-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate
+CC(C)[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N	HCV	n-[(5s)-5-amino-5-carboxypentanoyl]-l-homocysteyl-d-valine
+C/C(=N\NC1=NCCN1)/c2ccc(cc2)NC(=O)Nc3ccc(cc3)/C(=N/NC4=NCCN4)/C	HCW	1,3-bis{4-[(1e)-n-(4,5-dihydro-1h-imidazol-2-yl)ethanehydrazonoyl]phenyl}urea
+C1[C@H]2[C@@H]1[C@@H]([C@H](C2)O)CO[P@@H](=O)O	HCX	(south) bicyclo[3.1.0]hexane
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O	HCY	(11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione
+c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2	HCZ	6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+CCCSc1c(ccc(n1)N2CCN(CC2)C)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O	HD1	6-(4-methylpiperazin-1-yl)-n-[(1r,3s)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide
+c1c(c(nc(n1)N[C@H]2CCOC2)C3CCCC3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O	HD2	4-cyclopentyl-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-2-[[(3s)-oxolan-3-yl]amino]pyrimidine-5-carboxamide
+c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	HD3	2-azanyl-7-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3h-pyrrolo[2,3-d]pyrimidin-4-one
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@H](COP(=O)(O)O)O)O)CO)O)O	HD4	4-o-[2-acetamido-2-deoxy-beta-d-glucopyranosyl]-1-o-phosphono-d-ribitol
+B(c1cc2cc(ccc2s1)CN)(O)O	HD5	[5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid
+CCCCCCCCCCCCCCCCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	HD6	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{s})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	HD9	(2r,3r,4s,5r)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
+C(C(=O)O)N(C=O)O	HDA	hadacidin
+[H]/N=C(/N)\NCc1ccc(cc1)B2OC[C@H](O2)CO	HDB	(r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine
+CCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	HDC	3r-hydroxydecanoyl-coenzyme a
+Cc1c2n3c(c1CCC(=O)O)C=C4[C@]5(CCC(=O)O5)[C@@](C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C2)C(=C(C9=C8)C=C)C)C)C=C)(C)O	HDD	cis-heme d hydroxychlorin gamma-spirolactone
+CCc1c(c2n3c1Cc4c(c(c5n4[Fe]36n7c(c(c(c7C=C8N6C(=C5)[C@@]9([C@@]8(C)O)CCC(=O)O9)C)CC)C2)CCC(=O)O)C)C	HDE	cis-heme d hydroxychlorin gamma-spirolactone 17r, 18s
+c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@H]([C@@H]([C@H](CO)O)O)O	HDF	8-hydroxy-10-(d-ribo-2,3,4,5-tetrahydroxypentyl)-5-deazaisoalloxazine
+COc1ccc(cc1)CCNC(=O)[C@@H](CC[C@@H](C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)CNCc5ccccc5)N	HDG	(2r,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-n-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name)
+c1cc(ccc1C(=O)NN)O	HDH	4-oxidanylbenzohydrazide
+COC(=O)C[C@H]1CC(=NO1)c2ccc(cc2)O	HDI	3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazole-acetic acid methyl ester
+Cc1cc(c(c(c1)F)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CF)F	HDJ	(2r,3s,4r)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile
+[C@@H]([C@@H](C(=O)NO)O)([C@@H](C(=O)O)O)O	HDL	d-arabinohydroxamic acid
+Cc1c2n3c(c1CCC(=O)OC)C=C4C(=C(C5=Cc6c(c(c7n6[Fe]3(N54)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)CCC(=O)OC	HDM	dimethyl propionate ester heme
+CN=N	HDN	methylhydrazine
+CCCCCCCCC(=O)CCCO	HDO	1-hydroxydodecan-4-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](C=C2)COP(=O)(O)O)O	HDP	[(1s,6s)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+[B-](CCC[C@H]1CN(C[C@]1(C(=O)O)N)C[C@@H]2CCCCN2)(O)(O)O	HDQ	3-[(3~{s},4~{r})-4-azanyl-4-carboxy-1-[[(2~{s})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide
+CCCCCCCCCCCCCCCC[S@](=O)O	HDR	hexadecane-1-sulfinic acid
+CCCCCCCCCCCCCCCCS(=O)(=O)O	HDS	1-hexadecanosulfonic acid
+c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N	HDT	4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
+Cc1c(n2ccccc2n1)c3ccnc(n3)NC(=O)C	HDU	n-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]acetamide
+Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N	HDV	9-{2-deoxy-2-fluoro-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-2-me thyl-9h-purin-6-amine
+C(CCCCCCCc1n[nH]nn1)CCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CSCCO)C(=O)O)C(=O)O)C(=O)O	HDW	(2~{s})-6-[2-(2-hydroxyethylsulfanyl)ethanoylamino]-2-[2-[2-[2-[[(4~{r})-5-oxidanyl-5-oxidanylidene-4-[[(4~{s})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{h}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid
+C1=CN(C(=O)C(=C1CCOP(=O)(O)O)O)CP(=O)(O)O	HDX	({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2h)-yl}methyl)phosphonic acid
+Cc1c(n2ccccc2n1)c3ccnc(n3)Nc4ccc(cc4)OC[C@H](CN(C)C)O	HDY	1-(dimethylamino)-3-(4-{{4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol
+N#N	HDZ	nitrogen molecule
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)CCCC[C@@H](C(=O)O)NC(=O)CN)C(=O)O)C	HE0	(2r,4s)-2-[(1r)-1-{[(6s)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1ccc(c(c1)O)SCC\C=C\P(=O)(O)O	HE1	4-(2-hydroxyphenylthio)-1-butenylphosphonic acid
+CCCCCCO	HE2	hexan-1-ol
+Cc1ncc2c(n1)N[C@]3([N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C)[C@H](C)O	HE3	2-hydroxyethyl dihydrothiachrome diphosphate
+CCCCCCCO	HE4	heptan-1-ol
+Cc1cc2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Zn@@]3(N45)N8C(=C7)CC(C8=C2)C)C)CCC(=O)OC)CCC(=O)OC)C	HE5	zinc(ii)-deuteroporphyrin dimethylester
+Cc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C(=O)O)C)C(=C(C7=C2)C)C(=O)O)C)C)C	HE6	6,7-dicarboxyl-1,2,3,4,5,8-hexamethylhemin
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)O	HE7	4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
+[B-](CCC[C@H]1CNC[C@]1(C(=O)O)N)(O)(O)O	HE8	3-[(3~{s},4~{r})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide
+COC(=O)c1ccc(c(c1)O)O	HE9	methyl 3,4-bis(oxidanyl)benzoate
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C)CCC(=O)O)C	HEA	heme-a
+CCC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C)C)C	HEB	heme b/c
+CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C	HEC	heme c
+C(CSSCCO)O	HED	2-hydroxyethyl disulfide
+CCCCCC[P@](=O)(O)OCC	HEE	n-hexylphosphonate ethyl ester
+CC1=C(N(C(=O)NC1=O)COCCO)Sc2ccccc2	HEF	1-(2-hydroxyethyloxymethyl)-6-phenyl thiothymine
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mg@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C	HEG	protoporphyrin ix containing mg
+Cc1cc2c(c3c1C(=O)C=C(O3)[C@]4([C@@H](O4)[C@H]5[C@@H](O5)C)C)C(=O)c6c(c(cc(c6O)[C@H]7C[C@]([C@@H]([C@@H](O7)C)O)(C)[NH+](C)C)[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)[NH+](C)C)C2=O	HEH	hedamycin
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2N3CCC(CC3)C(=O)O	HEI	1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N	HEJ	9-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-9h-purin-6-amine
+CC(=O)NCC(=O)N[C@@H](Cn1cc(nn1)c2cc(cc(c2)C(=O)O)c3cn(nn3)C[C@@H](C(=O)NCC(=O)NCC(=O)N)N)C=O	HEK	3-[1-[(2~{s})-2-(2-acetamidoethanoylamino)-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]-5-[1-[(2~{s})-2-azanyl-3-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]benzoic acid
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])C(=O)[O-])C	HEL	(2s,5r,6r)-6-{[(6r)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O	HEM	protoporphyrin ix containing fe
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\CP(=O)(O)O)/C(=O)O)O	HEN	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-imino]-5-phosphono-pent-3-enoic acid
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)[C@H](CC/C=C(/C)\CCC=C(C)CCC=C(C)C)O	HEO	heme o
+CCCC[C@H](NC(=O)CCC(=O)O)[P@@](=O)(O)Oc1ccccc1	HEP	phenyl[1-(n-succinylamino)pentyl]phosphonate
+CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C	HEQ	3-[18-(4-hydroxy-2,6,6-trimethyl-cyclohex-1-enyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15, 17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-enone
+COc1cc(c2c(c1)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O)O	HER	7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one
+CC=C1C(=C2C=C3C(=CC)C(=C4N3[Zn]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C	HES	zinc substituted heme c
+CP(=O)(C)c1ccc(cc1)Nc2c3c(nc(n2)C4CCCC4)n(cn3)CCc5cccc(c5)O	HET	3-[2-(2-cyclopentyl-6-{[4-(dimethylphosphoryl)phenyl]amino}-9h-purin-9-yl)ethyl]phenol
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)CCO)COP(=O)(O)O)O	HEU	3-(2-hydroxyethyl)-2'-deoxyuridine-5'-monophosphate
+CC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8C)CCC(=O)O)C(=C(C7=C5)C=C)C=C)C=C)C=C)CCC(=O)O	HEV	5,8-dimethyl-1,2,3,4-tetravinylporphine-6,7-dipropionic acid ferrous complex
+c1cnc(cc1Br)N	HEW	4-bromanylpyridin-2-amine
+CCCCCC	HEX	hexane
+Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CCP(=O)(O)O)/C(=O)O)O	HEY	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-phosphonopent-2-enoic acid
+C(CCCO)CCO	HEZ	hexane-1,6-diol
+COc1cc(c2c(c1)O[C@H]([C@@H](C2=O)O)c3cc(c(c(c3)O)O)O)O	HF0	(2s,3s)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one
+c1cc(c(cc1F)SCCC=CP(=O)(O)O)O	HF1	4-(2-hydroxy-4-fluorophenylthio)-butylphosphonic acid
+c1ccc(cc1)C[C@H](C(=O)O)O	HF2	(2r)-2-hydroxy-3-phenylpropanoic acid
+O[Hf]123(OP4(=O)O[Hf]5(O1)(O2[Hf](O4)(O3)(O5)(O)(O)O)(O)O)O	HF3	smallest hf-oxo-phosphate cluster hf3
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	HF4	4-amino-1-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}pyrimidin-2(1h)-one
+O[Hf]1(O[Hf]23(O[Hf]45(O[Hf]6(O1)(O2)([O@]4[Hf](O3)(O5)(O6)(O)(O)O)O)(O)O)(O)O)(O)(O)O	HF5	hf oxo cluster hf5
+COC(=O)/C=C/c1ccc(cc1)O	HF6	methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
+Cc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N	HF7	2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate)
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)O)O)O)O)O	HF8	[(1~{s},2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate
+COC(=O)c1ccc(cc1O)O	HF9	methyl 2,4-bis(oxidanyl)benzoate
+c1ccc(cc1)C[C@@H](C(=O)O)O	HFA	alpha-hydroxy-beta-phenyl-propionic acid
+c1(c(c(c(c(c1F)F)F)F)F)F	HFB	hexafluorobenzene
+c1c2c(cc(c1O)O)OC(=O)C=C2	HFC	6,7-bis(oxidanyl)chromen-2-one
+c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N	HFD	2-fluoro-9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-9h-purin-6-a mine
+c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O	HFG	7-bromo-6-chloro-3-{3-[(2r,3s)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3h)-one
+CC(C)C[C@@H](C(=O)N1C[C@@H]([C@@H]2[C@H]1[C@H](CO2)O)F)NC(=O)c3ccc(cc3)c4csc(n4)N5CCN(CC5)C	HFH	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{s},6~{a}~{s})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
+c1ccc2c(c1)nc(o2)NC3=NC4(CCCCC4)C5=C(N3)CCCC5=O	HFK	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one
+COc1cc(cc(c1O)O)\C=C\C(O)O	HFL	5-(3,3-dihydroxypropeny)-3-methoxy-benzene-1,2-diol
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(=CO)C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C)C)CCC(=O)O	HFM	2-formyl-protoporphryn ix
+Cc1c(c(n(n1)CC(CO)(F)F)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4	HFN	6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1h-pyrazol-4-yl]-2h-1,4-benzoxazin-3(4h)-one
+CC(=O)c1ccc(c(c1)O)O	HFO	1-[3,4-bis(oxidanyl)phenyl]ethanone
+CC(C)CCCC(C)CCCC(C)C[C@@H](O)P(=O)(O)O	HFP	alpha-hydroxyfarnesylphosphonic acid
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4O)O)O	HFQ	2,4-dihydroxyphenacyl coenzyme a
+c1cc(cc(c1)Br)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	HFR	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl n-[(3s)-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate
+c1cc2c(ccnc2O)c(c1)S(=O)(=O)[N@]3CCCNCC3	HFS	1-(1-hydroxy-5-isoquinolinesulfonyl)homopiperazine
+CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O	HFT	hydroxyflutamide
+Cc1cc-2n3c1C(=O)NC=C3CN(c4c2cc(cc4)CS(=O)(=O)C)C(=O)c5cccc6c5cccc6	HFU	5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2h)-one
+C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)N[C@@H](C(C(F)(F)F)C(F)(F)F)C(=O)O	HFV	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-l-3,3,3,3',3',3'-hexafluorovaline
+	HFW	dawson-type polyoxometalate
+CS(=O)c1c2c(c(s1)Cl)CCCC2=O	HFX	1-chloranyl-3-methylsulfinyl-6,7-dihydro-5h-2-benzothiophen-4-one
+c1ccc(c(c1)CNc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl	HFY	8-{[(2-chlorophenyl)methyl]amino}adenosine
+c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F	HFZ	6-(trifluoromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+[Hg+2]	HG	mercury (ii) ion
+CC(C)c1ccc(cc1S(=O)(=O)C)C(=O)N=C(N)N	HG0	n-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide
+C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	HG1	1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-d-glucitol
+Br[Hg]Br	HG2	dibromomercury
+C([C@H](C(O)O)O)OP(=O)(O)O	HG3	[(2~{r})-2,3,3-tris(oxidanyl)propyl] dihydrogen phosphate
+CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2CCCCn4c5ccc(cc5nc4NC(=O)c6cc(nn6CC)C)C(=O)N)C(=O)N	HG4	1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1h-pyrazole-5-carbonyl)amino]-1h-benzimidazole-5-carboxamide}
+CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3ccccc3)Nc4ccc(cc4OCC)C5CCN(CC5)C)C	HG5	(7~{r})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{h}-pteridin-6-one
+c1ccc2c(c1)C(=O)c3cc(cc(c3C2=O)Cl)C(=O)O	HG6	4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
+CN(C)CCCNC(=O)[C@H](c1cccc(c1)O)N	HG7	(2s)-2-azanyl-n-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide
+CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3cc(cs3)C)Nc4ccc(cc4OCC)C5CCN(CC5)C)C	HG8	(7~{r})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{h}-pteridin-6-one
+CCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O	HG9	1-deoxy-1-[(2-hydroxyethyl)(nonanoyl)amino]hexitol
+C(CC(=O)NO)[C@@H](C(=O)O)N	HGA	glutamine hydroxamate
+c1cc(ccc1C(=O)O)[Hg]O	HGB	4-(hydroxymercury)benzoic acid
+C[Hg+]	HGC	methyl mercury ion
+C(CC(=O)N[C@@H](CS[Hg]SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	HGD	mercury bis(l-gamma-glutamyl-3-sulfido-l-alanylglycine)
+CCOC(=O)C1CCN(CC1)c2cnccn2	HGE	ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate
+COCCOc1cc(cnc1)c2cc3c(ccc4c3[nH]c5c4C(=O)NCC5)cn2	HGF	2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7h-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](CC(=O)O)O)O	HGG	(3r,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
+c1cc(cc(c1)Oc2c3c([nH]cn3)nc(n2)N)CC(=O)O	HGH	2-[3-[(2-azanyl-9~{h}-purin-6-yl)oxy]phenyl]ethanoic acid
+I[Hg]I	HGI	mercury (ii) iodide
+CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2C[C@@H](c4ccccc4)O)C(=O)N	HGJ	2-[(1-ethyl-3-methyl-1h-pyrazole-5-carbonyl)amino]-1-[(2r)-2-hydroxy-2-phenylethyl]-1h-benzimidazole-5-carboxamide
+c1cc(ccc1CC(=O)O)OC2=CC=NC(=O)C2	HGK	2-[4-[(2-oxidanylidene-3~{h}-pyridin-4-yl)oxy]phenyl]ethanoic acid
+c1nc2c(n1CC[C@@H](C(=O)O)N)N=C(NC2=O)N	HGL	(2s)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)butanoic acid
+CN[C@H](c1ccc(cc1)O)C(=O)O	HGM	(2r)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid
+[Hg][Hg]	HGN	mercuriomercury
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	HGP	(1-hexadecanoyl-2-tetradecanoyl-glycerol-3-yl) phosphonyl choline
+C1=CNC(=O)C=C1Br	HGQ	4-bromanyl-1~{h}-pyridin-2-one
+C/C(=C\C1=CC(=O)C(=CC1)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@@H]([C@H]([C@@H]4[C@H]([C@@H]3O)OCO4)O)O	HGR	hygromycin a
+C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H](C(=O)O)N	HGS	d-gamma-glutamyl-l-cysteinyl-beta-alanine
+C(CO[Sn](O)(O)O)N[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)N	HGT	(2-((2r,3s,4r,5s,6s)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-ylamino)ethoxy)stannanetriol
+C(=N)(N)NO	HGU	n-hydroxyguanidine
+C[C@@H](P(=O)(O)O)P(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O	HGV	2'-deoxy-5'-o-[(r)-hydroxy({(r)-hydroxy[(1s)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]adenosine
+c1c(cncn1)I	HGW	5-iodanylpyrimidine
+CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C	HGX	1-heptadecanoyl-2-tridecanoyl-3-glycerol-phosphonyl choline
+[C@H](C(=O)O)(N)O	HGY	(2s)-amino(hydroxy)ethanoic acid
+CC1=CC(=O)Nc2c1cc(c(c2OC)OC)OC	HGZ	6,7,8-trimethoxy-4-methylquinolin-2(1h)-one
+C[C@@H](C(=O)N[C@@H](C)C(=O)OC)NC(=O)[C@H](Cc1ccccc1)O[P@](=O)([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	HH0	methyl n-[(2s)-2-({(s)-hydroxy[(1r)-3-methyl-1-{[n-(3-methylbutanoyl)-l-valyl-l-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-l-alanyl-l-alaninate
+c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@@H]3C[C@@H](c4c3cccc4)CC(=O)N)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6	HH1	(3s)-tetrahydrofuran-3-yl (1r)-3-{(2r)-4-[(1s,3s)-3-(2-amino-2-oxoethyl)-2,3-dihydro-1h-inden-1-yl]-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl}-1-benzyl-2-hydroxypropylcarbamate
+c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O	HH2	6-hydroxymethylpterin-diphosphate
+c1ccc(cc1)C(=O)N[C@H](C(=O)O)O	HH3	(2s)-hydroxy[(phenylcarbonyl)amino]ethanoic acid
+CC(C)(C)c1ccc(cc1)C(=O)CCC(=O)O	HH4	4-(4-tert-butylphenyl)-4-oxobutanoic acid
+c1[nH]c2c(n1)nc(nc2I)N	HH5	6-iodanyl-7~{h}-purin-2-amine
+c1cc(ccc1c2c3ccc(cc3[nH]n2)O)O	HH6	3-(4-hydroxyphenyl)-1h-indazol-6-ol
+c1cc(c(cc1Cl)Cl)OCCCNc2[nH]ccn2	HH7	n-[3-(2,4-dichlorophenoxy)propyl]-1h-imidazol-2-amine
+c1cc2c(ccnc2nc1)Br	HH8	4-bromanyl-1,8-naphthyridine
+c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O	HH9	4-chloranyl-9-oxidanylidene-xanthene-2-carboxylic acid
+C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O	HHA	(2s,3s)-trans-2,3-dihydro-3-hydroxyanthranilic acid
+c1cc(cc(c1)Nc2ccncn2)CC(=O)O	HHB	2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid
+c1cnc(cc1C(=O)NC[C@H](C(=O)N)N)C2=N[C@@H](CS2)C=O	HHC	~{n}-[(2~{r})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{r})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide
+C(C[C@@H](CC(=O)O)O)CC(=O)O	HHD	(3s)-3-hydroxyheptanedioic acid
+CC[C@H](C[C@@H]([C@H](CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O	HHE	(2r,4s,5s)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-n-[(1r,2s,3s,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide
+c1ccc(cc1)C2=C(C(=O)c3ccc(cc3O2)O)O	HHF	3,7-dihydroxy-2-phenyl-4h-chromen-4-one
+CCCCCC(=O)OC[C@@H](COP(=O)(O)O)O	HHG	(2r)-2-hydroxy-3-(phosphonooxy)propyl hexanoate
+c1cc(ccc1[C@@H](C(=O)O)O)O	HHH	(2s)-hydroxy(4-hydroxyphenyl)ethanoic acid
+[H]/N=C(/Cc1cnc[nH]1)\C(=O)O	HHI	(2z)-3-(1h-imidazol-5-yl)-2-iminopropanoic acid
+c1ccc2c(c1)c(c[nH]2)CCNC(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4NC(=NC5=O)N)O)O	HHJ	5'-o-{[2-(1h-indol-3-yl)ethyl]carbamoyl}guanosine
+C(CCCN)CC[C@@H](C(=O)O)N	HHK	(2s)-2,8-diaminooctanoic acid
+Cc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)NC(=O)C(=C)F	HHL	n-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide
+c1cc(cc(c1)C(=O)NCc2cc(cc(c2)Cl)Cl)Cn3ccnc3	HHM	n-[(3,5-dichlorophenyl)methyl]-3-[(1h-imidazol-1-yl)methyl]benzamide
+c1c(cncn1)Br	HHN	5-bromanylpyrimidine
+C(CCCCO)CCCNCO	HHO	1-(hydroxymethyleneamino)-8-hydroxy-octane
+C1C(=NC2=C(N1)N=C(NC2=O)N)CO	HHP	6-hydroxymethyl-7,8-dihydropterin
+C1C(=CC=NC1=O)I	HHQ	4-iodanyl-3~{h}-pyridin-2-one
+c1c(nc2c(n1)N=C(NC2=O)N)CO	HHR	6-hydroxymethylpterin
+c1c(nc2c(n1)N=C(NC2=O)N)C(=O)O	HHS	6-carboxypterin
+COc1cc(ccc1CC(=O)O)Br	HHT	2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid
+c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N	HHV	5-[(pyridin-3-ylmethyl)amino]-1h-pyrazole-4-carboxamide
+c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)/C=C/C(=O)O	HHW	(~{e})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid
+c1ccc(cc1)c2nnc(o2)CCC(=O)O	HHY	3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid
+c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCNC(=O)COCCO	HHZ	[[(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl	HI0	(r)-n-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide
+CC(C)(C)[C@@H](C(=O)N[N@](CCC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)Br)NC(=O)OC	HI1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate 
+Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)NS(=O)(=O)C4CC4)Cc5cc(ccc5F)F	HI3	n-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide
+CCc1ccc2c(c1)c(c(n2Cc3cc(ccc3F)[N+](=O)[O-])C(=O)O)C4=CC=CNC4=O	HI4	5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid
+CCCC(=O)OC[C@H](COP(O)(O)(O)O)OC(=O)CCC	HI5	2-(butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate
+c1cc[n+](c(c1)\C=N\O)COC[n+]2ccc(cc2)C(=O)N	HI6	4-(aminocarbonyl)-1-[({2-[(e)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium
+CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)/C=C/CO	HI9	(2e)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol
+c1c([nH]cn1)C[C@@H](C(=O)N)N	HIA	l-histidine amide
+Cc1c(c(c(c(c1I)O)OC)OC)C(=O)O	HIB	4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoic acid
+Cn1cc(nc1)C[C@@H](C(=O)O)N	HIC	4-methyl-histidine
+c1cc2c(cc1O)c(c[nH]2)CC(=O)O	HID	(5-hydroxy-1h-indol-3-yl)acetic acid
+CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C	HIE	4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide
+CCc1c(c2n3c1C=C4[C@](C(=O)C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)(C)CC)C	HIF	fe(iii)-(4-mesoporphyrinone)
+CCc1nc2c(cc(nc2n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C)C	HIG	2-ethyl-5,7-dimethyl-3-{(1s)-5-[2-(1h-tetrazol-5-yl)phenyl]-2,3-dihydro-1h-inden-1-yl}-3h-imidazo[4,5-b]pyridine
+C[C@@H](Cc1csc(n1)N)C=O	HII	2-methyl-3-(2-aminothiazolo)propanal
+CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)CCCO	HIK	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol
+C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)CCCl)NC(=O)C	HIN	(2s) n-acetyl-l-alanyl-alphal-phenylalanyl-chloroethylketone
+CC(C)N(C(=O)C(=O)O)O	HIO	n-hydroxy-n-isopropyloxamic acid
+c1c(n(c[nH+]1)P(=O)(O)O)C[C@@H](C(=O)O)N	HIP	nd1-phosphonohistidine
+c1c(ncn1C(CO)(CO)O)C[C@@H](C(=O)O)N	HIQ	1-[1,2-dihydroxy-1-(hydroxymethyl)ethyl]-l-histidine
+c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N	HIS	histidine
+c1c([nH+]c[nH]1)C[C@@H](C(=O)[O-])[NH-]	HIS_LEO2	l-histidine c-terminal deprotonated fragment
+c1c([nH+]c[nH]1)C[C@@H](C(=O)O)[NH-]	HIS_LEO2H	l-histidine c-terminal protonated fragment
+c1c(nc[nH]1)C[C@@H](C(=O)O)[NH-]	HIS_LEO2H_DHD1	l-histidine-c-terminal protonated fragment/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H](C(=O)O)[NH-]	HIS_LEO2H_DHE2	l-histidine-c-terminal protonated fragment/with side chain deprotonated ne2
+c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH-]	HIS_LEO2_DHD1	l-histidine-c-terminal deprotonated fragment/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H](C(=O)[O-])[NH-]	HIS_LEO2_DHE2	l-histidine-c-terminal deprotonated fragment/with side chain deprotonated ne2
+c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N	HIS_LFOH	l-histidine free neutral
+c1c(nc[nH]1)C[C@@H](C(=O)O)N	HIS_LFOH_DHD1	l-histidine-free neutral/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H](C(=O)O)N	HIS_LFOH_DHE2	l-histidine-free neutral/with side chain deprotonated ne2
+c1c([nH+]c[nH]1)C[C@@H](C(=O)[O-])[NH3+]	HIS_LFZW	l-histidine free zwitterion
+c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH3+]	HIS_LFZW_DHD1	l-histidine-free zwitterion/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H](C(=O)[O-])[NH3+]	HIS_LFZW_DHE2	l-histidine-free zwitterion/with side chain deprotonated ne2
+c1c([nH+]c[nH]1)C[C@@H]([C-]=O)[NH-]	HIS_LL	l-histidine - linking embedded fragment
+c1c(nc[nH]1)C[C@@H]([C-]=O)[NH-]	HIS_LL_DHD1	l-histidine-linking embedded fragment/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H]([C-]=O)[NH-]	HIS_LL_DHE2	l-histidine-linking embedded fragment/with side chain deprotonated ne2
+c1c([nH+]c[nH]1)C[C@@H]([C-]=O)[NH3+]	HIS_LSN3	l-histidine n-terminal protonated fragment
+c1c(nc[nH]1)C[C@@H]([C-]=O)[NH3+]	HIS_LSN3_DHD1	l-histidine-n-terminal protonated fragment/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H]([C-]=O)[NH3+]	HIS_LSN3_DHE2	l-histidine-n-terminal protonated fragment/with side chain deprotonated ne2
+CC(C)C(C(=O)[C@H](C)C(=O)O)O	HIT	2-(alpha-hydroxyisovaleryl) propionic acid
+C[C@H](CO)C(=O)O	HIU	(2r)-3-hydroxy-2-methylpropanoic acid
+[H]/N=C\NCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	HIW	(2r,4s)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2h-pyrrole-5-ca rboxylic acid
+c1c([nH]nn1)C[C@@H](C(=O)O)N	HIX	3-(1h-1,2,3-triazol-5-yl)-l-alanine
+c1ccc(cc1)COC[C@H](c2csc(n2)NC(=O)Nc3ccc(c(c3)Cl)F)N	HIZ	1-{4-[(1s)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea
+Cc1cc(n[nH]1)NC(=O)c2cn(c3c2c(ncn3)N)C4(CC4)C	HJ0	4-azanyl-7-(1-methylcyclopropyl)-~{n}-(5-methyl-1~{h}-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
+c1cc(c(cc1CCNC(=O)CCN)O)O	HJ1	n-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)O)N)C(=O)O	HJ2	(2r)-2-[(r)-{[(6s)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)CCCC[C@@H](C(=O)O)N)C(=O)O)C	HJ3	(2r,4s)-2-[(1r)-1-{[(6s)-6-amino-6-carboxyhexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CC(C)(C)C)O)c5ccc(cc5)N(C)C	HJ4	(8s,11r,13s,14s,17s)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-3-one (non-preferred name)
+C#CC[C@H](CP(=O)([C@H](CCc1ccccc1)[NH3+])O)C(=O)N[C@@H](Cc2ccccc2)C(=O)[NH3+]	HJ5	[(1~{r})-1-[[(2~{s})-2-[[(2~{s})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium
+C(/C(=C/C(=O)C(=O)O)/C(=O)O)C(=O)O	HJ7	(2z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
+CCn1c(c(nn1)O)C[C@@H](C(=O)O)N	HJ8	(2~{s})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid
+B(c1cc(c(cc1C=O)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)OC)(O)O	HJ9	[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid
+C1CCC(CC1)CCCCOC(=O)N[C@@H](CN)C(=O)S	HJA	(2s)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic s-acid
+[B-]1(c2c(cccc2CCC(=O)O)CO1)(O)O	HJB	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid
+c1c([nH]cn1)CCNC(=O)CCN	HJD	n-[2-(1h-imidazol-5-yl)ethyl]-beta-alaninamide
+CC1(C[C@H](CO1)c2c(cn3c(n2)c(cn3)c4ccnc(c4)OC)OC)C	HJF	5-[(3s)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine
+CC(C)(c1cccn2c1nnc2C3(CC3)c4ccc(cc4)Cl)O	HJG	2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol
+Cn1nc(c(n1)O)C[C@@H](C(=O)O)N	HJH	(2~{s})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@@H](C(F)F)C(=O)O	HJI	(2r)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
+CC(=CCC/C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/C)C	HJJ	4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7h-furo[3,2-g][1]benzopyran-7-one
+c1cc(cc(c1)c2c3c([nH]cn3)nc(n2)N)CC(=O)O	HJK	2-[3-(2-azanyl-9~{h}-purin-6-yl)phenyl]ethanoic acid
+C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC1=C(C(=O)N=C(N1)N)N	HJL	[(2~{r},3~{s},4~{s})-5-[[2,5-bis(azanyl)-6-oxidanylidene-1~{h}-pyrimidin-4-yl]amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC	HJM	(5beta)-12-methoxyibogamine
+Cc1cc2c(cc1C)N(C3=C(N2C/C=C(/C)\CCC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	HJN	[(2~{r},3~{s},4~{s})-5-[5-[(2~{z})-3,7-dimethylocta-2,6-dienyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CC(=O)N[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H]([C@H](C(CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N	HJO	n-[(1r,2r,3r,4s,5s)-4-[(2r,3r,6s)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2r,3r,4r)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide
+CC1=CC(=O)C(=C(O1)C(=O)O)O	HJP	3-hydroxy-6-methyl-4-oxo-4h-pyran-2-carboxylic acid
+CN1CCN([C@@H](C1)CCN2CC[C@@H](C2)c3ccc(cc3)F)C	HJQ	(2~{r})-2-[2-[(3~{r})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine
+C[C@@]1(CO[C@@H](C[C@@H]1NC)O[C@@H]2[C@@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3CCC[C@H](O3)CN)N)NS(=O)(=O)C(F)(F)F)O	HJR	n-[(1r,2r,3r,4s,5r)-4-[(2r,6s)-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2r,4s,5r}-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide
+C(CS(=O)(=O)O)[C@@H](C(=O)O)N	HJT	(2~{s})-2-azanyl-4-sulfo-butanoic acid
+CN[C@H](CCC(=O)N)C(=O)O	HJV	n~2~-methyl-d-glutamine
+CCOC(=O)[C@H](C)N(c1c(cccc1Cl)C)C(=O)c2cccs2	HJW	ethyl (2~{s})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
+CCCCCCCCCCCCCCOc1cccc(c1C(=O)O)O	HJX	2-hydroxy-6-(tetradecyloxy)benzoic acid
+CN[C@H](Cc1ccc(cc1)I)C(=O)O	HJY	4-iodo-n-methyl-d-phenylalanine
+CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4	HJZ	3-[2-(trans-4-methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid
+COc1cc(ccc1[N+](=O)[O-])c2ccc3c(c2)Nc4c(cccc4OCCN5CCOCC5)NC3=O	HK0	3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
+COc1cc2c(cc1OC)-c3c(c([nH]n3)c4ccc(cc4)O)C2	HK1	4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol
+c1ccc(cc1)c2ccc(cc2)OCCCc3cn(nn3)CC4[C@H]([C@@H](C([C@H]([C@@H]4O)[O-])O)O)O	HK2	(1~{s},3~{s},4~{r},6~{r})-2,3,4,6-tetrakis(oxidanyl)-5-[[4-[3-(4-phenylphenoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexan-1-olate
+COC1=CC2=CC3=C(N=NC3=C2C=C1OC)c4ccc(cc4)c5ccc(cc5)O	HK3	4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol
+COc1cc(ccc1O)C#Cc2c3c(n[nH]2)-c4cc(c(cc4C3)OC)OC	HK4	4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol
+COc1cc-2c(cc1Cn3ccnc3)Cc4c2n[nH]c4c5ccc(cc5)C#N	HK5	4-[6-(1h-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile
+c1ccc2c(c1)C(=O)Nc3cc(ccc3N2)Cl	HK6	8-chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
+c1ccc(c(c1)c2ccc3c(c2)Nc4ccccc4NC3=O)C(=O)N	HK7	2-(11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-3-yl)benzamide
+c1cc2c(cc1CC(=O)O)NC(=O)c3ccc(cc3N2)Cl	HK8	(3-chloro-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid
+COc1cc(ccc1C(=O)O)c2ccc3c(c2)Nc4ccccc4NC3=O	HK9	2-methoxy-4-(11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid
+COc1cc(ccc1Oc2ccccc2)C(=O)O	HKA	3-methoxy-4-phenoxybenzoic acid
+CN(C)c1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O	HKB	~{n}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide
+COc1cc2c(cc1OC)-c3c(c(n[nH]3)c4ccc(cc4)c5[nH]nnn5)C2	HKC	6,7-dimethoxy-3-[4-(1h-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole
+CC1=C(C=C(C(=O)C(=C1)O)O)C(=O)O	HKD	4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
+C[C@@H](C(=O)OC(C)C)N(c1c(cccc1Cl)Cl)C(=O)c2ccco2	HKE	propan-2-yl (2~{s})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
+Cc1c(cccn1)Oc2cc(cnc2Nc3nc(ns3)C4CCN(CC4)C(=O)C)Sc5ccccn5	HKG	1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one
+CC(C)C[C@@H](C(=O)N1C[C@@H]([C@@H]2[C@H]1[C@H](CO2)O)F)NC(=O)c3ccc(cc3)c4cccs4	HKH	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{s},6~{a}~{s})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide
+CCOc1cc2c(cc1NC(=O)CCCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4	HKI	n-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide
+Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)N[C@@H](C)c4ccc(cn4)F)S(=O)(=O)C5COC5	HKJ	n-[(1s)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1h-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1h-pyrrolo[2,3-b]pyridin-6-amine
+CS(=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2	HKK	~{n}-[2-chloranyl-5-(3,6-dihydro-2~{h}-pyran-4-yl)pyridin-3-yl]methanesulfonamide
+CCC1=C(C2=Cc3c(c(c4n3[Fe]56[N]2=C1C=C7N5C8=C(CC(=O)C8=C7C)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC)C)C)C=C)C	HKL	fe(iii) pyropheophorbide-a methyl ester
+Cc1csc(n1)Nc2c(cccn2)Oc3ccccc3C#N	HKM	2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile
+Cc1nc(cn1Cc2ccccc2)S(=O)(=O)Nc3cc(cnc3OC)C4=CCOCC4	HKN	~{n}-[5-(3,6-dihydro-2~{h}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide
+CN[C@H]1[C@@H]([C@H](OC2[C@]1(C2)O)O[C@@H]3[C@@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H](CC[C@H](O4)CN)N)N)NS(=O)(=O)c5cccnc5)O	HKO	n-[(1r,2r,3r,4s,5r)-4-[(2r,3r,6s)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[[(3s,4s,5s,6r)-5-(methylamino)-4,6-bis(oxidanyl)-2-oxabicyclo[4.1.0]heptan-3-yl]oxy]-3-oxidanyl-cyclohexyl]pyridine-3-sulfonamide
+CN1c2cnc(nc2N([C@@H](C1=O)CC3CCCC3)C4CCCC4)Nc5cc(c(c(c5)Cl)O)Cl	HKP	(7r)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5h)-one
+c1ccc(cc1)c2cc(c(nc2)Cl)NS(=O)(=O)c3ccccc3	HKQ	~{n}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide
+CCCn1ccnc1C(=O)O	HKR	1-propylimidazole-2-carboxylic acid
+c1c(cc(c(c1O)O)SC[C@H](C(=O)O)N)C[C@@H](C(=O)O)N	HKS	3-{[(2s)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-l-tyrosine
+CNCc1cc(n(c1)S(=O)(=O)c2cccnc2)c3ccccc3F	HKT	1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{n}-methyl-methanamine
+CC(C)n1ccnc1C(=O)O	HKU	1-propan-2-ylimidazole-2-carboxylic acid
+C(CC(=O)O)C(=O)C=O	HKV	4,5-dioxopentanoic acid
+CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3C)(C)C)CCCCCC(=O)NCc5cn(nn5)C[C@H]6[C@H](C[C@@H]([C@H]([C@@H]6O)O)O)O)C	HKW	6-[3,3-dimethyl-2-[(1~{e},3~{e},5~{e})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{n}-[[1-[[(1~{s},2~{r},3~{r},4~{s},6~{s})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide
+CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)Br)N)S(=O)(=O)c3ccccc3	HKX	n-[6-amino-1-(3-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-n-methylbenzenesulfonamide
+c1cc2c(cc1C(=O)O)CCNC2	HKY	1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
+Cc1c(nc(n1c2c(cccc2Cl)Cl)c3ccco3)Cc4ccccc4	HKZ	1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole
+CCCCCCCCCC(=O)N[C@H]1CCOC1=O	HL0	n-[(3s)-2-oxotetrahydrofuran-3-yl]decanamide
+COc1cc2ccc3c(c2cc1OC)C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N	HL1	(2~{s},3~{r})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{h}-benzo[f]chromen-2-amine
+CC(C)[C@H]([C@@H](C(=O)O)N)O	HL2	(2s,3r)-2-amino-3-hydroxy-4-methylpentanoic acid
+CC[C@@H](C)n1ccnc1C(=O)O	HL3	1-[(2~{r})-butan-2-yl]imidazole-2-carboxylic acid
+CCCC(=O)N[C@H]1CCOC1=O	HL4	n-[(3s)-2-oxotetrahydrofuran-3-yl]butanamide
+C[C@H](C[C@@H](C(=O)O)N)CO	HL5	(2s,4r)-5-hydroxyleucine
+CCCCCC(=O)N[C@H]1CCOC1=O	HL6	n-[(3s)-2-oxotetrahydrofuran-3-yl]hexanamide
+CNC(=O)O[C@H]1CCC[C@@H]1[C@@]2(CN(Cc3c2cccc3)C)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)c7ccncc7	HL7	(1s,2r)-2-[(4s)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate
+Cc1c(nc(n1c2c(ccc(c2Cl)N3CC(C3)C(=O)O)Cl)c4ccc(o4)Cl)C(F)(F)F	HL8	1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid
+c1cnccc1N2CCC(CC2)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4	HL9	5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide
+C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H](CO2)O)O)C(=O)O	HLA	1,5-anhydro-4,6-o-[(1r)-1-carboxyethylidene]-d-galactitol
+CC1(c2ccccc2[N+](=C1C=CC=CC=C3C(c4ccccc4N3C)(C)C)CCCCC(=O)NCCCCCCCCN[C@@H]5C[C@H]([C@@H]([C@H]([C@H]5O)O)O)O)C	HLB	5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{n}-[8-[[(1~{r},2~{s},3~{s},4~{s},5~{r})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide
+c1cc(ccc1OCCCC(=O)N[C@H]2CCOC2=O)Cl	HLC	4-(4-chlorophenoxy)-n-[(3s)-2-oxotetrahydrofuran-3-yl]butanamide
+C1=C(OC(=CC1=O)C(=O)O)C(=O)O	HLD	4-oxo-4h-pyran-2,6-dicarboxylic acid
+CC(C)C[C@@H](C=O)[C@@H](C(=O)NO)O	HLE	3-formyl-2-hydroxy-5-methyl-hexanoic acid hydroxyamide
+C=CCCn1ccnc1C(=O)O	HLF	1-but-3-enylimidazole-2-carboxylic acid
+CC(=O)NCCCNCCCCN	HLG	n-{3-[(4-aminobutyl)amino]propyl}acetamide
+CCCCCCCC1=CC(=O)c2ccccc2N1	HLH	2-heptyl-1~{h}-quinolin-4-one
+CNC1=Nc2c(n(c(n2)c3ccc(cc3)P(=O)(O)O)CCOc4ccc(cc4)Cl)C(=O)N1	HLI	(4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1h-purin-8-yl}phenyl)phosphonic acid
+[H]/N=C/1\N(C=CN1Cc2cc(cc(c2)C(=O)NCc3ccc(c(c3)Cl)Cl)c4ccc(nc4C)F)C	HLJ	n-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2e)-2-imino-3-methyl-2,3-dihydro-1h-imidazol-1-yl]methyl}benzamide
+c1cc(ccc1CNc2cc(nc(c2)N)C(F)(F)F)F	HLK	~{n}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
+c1cn(c(n1)C(=O)O)CCn2ccnn2	HLL	1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid
+C[C@@H](c1cccc(c1)Cl)NC(=O)c2cccc(c2)CNC3=NCCN3	HLM	n-[(1s)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1h-imidazol-2-yl)amino]methyl}benzamide
+CCCCCCP(=O)(O)Oc1ccc2ccccc2c1	HLN	hexyl(naphthalen-2-yloxy)phosphinic acid
+c1c[n+](ccc1C(=O)N)COC[n+]2ccc(cc2\C=N\O)\C=N\O	HLO	1-[({2,4-bis[(e)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]-4-carbamoylpyridinium
+c1cc(oc1Cn2ccnc2)C(=O)O	HLP	5-[(1h-imidazol-1-yl)methyl]furan-2-carboxylic acid
+c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F	HLQ	~{n}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
+c1ccc2c(c1)c(no2)N	HLR	1,2-benzoxazol-3-amine
+COc1cc(cc(c1)OC)CNC(=O)c2ccc(c(c2)CNC3=NCCN3)F	HLS	3-{[(4,5-dihydro-1h-imidazol-2-yl)amino]methyl}-n-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide
+[C@@H](C(F)(F)F)(Cl)Br	HLT	2-bromo-2-chloro-1,1,1-trifluoroethane
+CC(C)[C@@H]([C@@H](C(=O)O)N)O	HLU	beta-hydroxyleucine
+c1ccc2c(c1)c3cc(ccc3o2)OCCN	HLV	2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine
+c1cc(cc(c1)Cl)CCCNCCc2ccnc(n2)n3ccnc3	HLW	3-(3-chlorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
+CC(C)CC[C@@H](C(=O)O)N	HLX	5-methyl-l-norleucine
+C[C@@](CC(=O)NCCCC[C@@H](C(=O)O)N)(CC(=O)O)O	HLY	(3~{r})-5-[[(5~{s})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid
+c1ccc2c(c1)cnnc2NN	HLZ	1-hydrazinophthalazine
+c1cn(c(n1)C(=O)O)C2CCC2	HM0	1-cyclobutylimidazole-2-carboxylic acid
+Cc1c(c(nc(n1)c2ccccn2)NCCc3ccccc3)Cl	HM2	5-chloro-6-methyl-n-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
+c1cnc(cc1Cl)CO	HM3	(4-chloropyridin-2-yl)methanol
+CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2nccs2	HM4	tert-butyl {2-[(1,3-thiazol-2-ylamino)carbonyl]pyridin-3-yl}carbamate
+CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2	HM5	3-[(2,2-dimethylpropanoyl)amino]-n-1,3-thiazol-2-ylpyridine-2-carboxamide
+c1c(cc(nc1C(=O)O)C(=O)O)n2cc(nn2)CO	HM6	4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid
+CSCCC1=N/C(=C(/O)\S)/C(=O)N=C1O	HM7	3-methylthioethane-pyrazinedione
+C[C@H]([C@@H](c1nc(c(o1)O)C(=S)O)N)OS(=O)(=O)O	HM8	2-[(1s,2r)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic o-acid
+C(Cc1c(nc(c(n1)C(=O)S)O)O)CNC(=N)N	HM9	6-(3-carbamimidamidopropyl)-3,5-dihydroxypyrazine-2-carbothioic s-acid
+C[C@@H](C(=O)NO)N	HMA	hydroxyaminoalanine
+COC(CCC(=O)O)O	HMB	(4s)-4-hydroxy-4-methoxybutanoic acid
+C1=C([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO	HMC	5-hydroxymethyl-chonduritol
+C1CNC(=O)C2=NC(=CC2C1C3=NC(=NC3=O)N)Br	HMD	4-(5-amino-4-oxo-4h-pyrazol-3-yl)-2-bromo-4,5,6,7-tetrahydro-3ah-pyrrolo[2,3-c]azepin-8-one
+CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Fe]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C	HME	porphycene containing fe
+c1ccc(cc1)CC[C@H](C(=O)O)N	HMF	2-amino-4-phenyl-butyric acid
+C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O	HMG	3-hydroxy-3-methylglutaryl-coenzyme a
+Cc1ncc(c(n1)N)CO	HMH	4-amino-5-hydroxymethyl-2-methylpyrimidine
+CC(C)C[C@H](C(=O)NO)C(=O)O	HMI	2-hydroxycarbamoyl-4-methyl-pentanoic acid
+CN(C)CCOc1ccc2c(c1)c3ccccc3o2	HMJ	2-[(dibenzo[b,d]furan-2-yl)oxy]-n,n-dimethylethan-1-amine
+c1cc2c(cc1O)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O	HMK	(6ar,12ar)-6h-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromene-3,6a(12ah)-diol
+c1cc(ccc1Cn2ccnc2C(=O)O)C(F)(F)F	HML	1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid
+CN1C(=O)N2CC=C[C@H](N2C1=O)CO	HMM	5-hydroxymethyl-2-methyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
+CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	HMN	2,4,6,7,8,9-hexahydroxy-5-methylcarboxamido nonanoic acid
+COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O	HMO	4'-hydroxy-7-methoxyisoflavone
+CC(C)C[C@H](C(=O)NO)C(=O)O	HMP	1-hydroxyamine-2-isobutylmalonic acid
+C1=C[C@@](C(=CC1=O)CC(=O)O)(O)OO	HMQ	2-[(6r)-6-(dioxidanyl)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanoic acid
+C(C[C@@H](CC(=O)O)N)CNC(=N)N	HMR	beta-homoarginine
+C([C@@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O	HMS	5-o-phosphono-l-ribulose
+CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CC[N@@]5[C@@]2(CCC5)C=C1OC)OCO4)O)O	HMT	(3beta)-o~3~-[(2r)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine
+C1=C(C(=O)NC(=O)N1)CO	HMU	5-hydroxymethyl uracil
+CN(C)CCOc1ccc2c(c1)c3ccccc3[nH]2	HMV	2-[(9h-carbazol-3-yl)oxy]-n,n-dimethylethan-1-amine
+Cc1ccc(cc1Nc2nc(nc(n2)N3CC[C@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HMW	3-[[4-imidazol-1-yl-6-[(3~{r})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+C1CCCN(CC1)c2c(nc(c(n2)N)C(=O)N=C(N)N)Cl	HMX	3-azanyl-5-(azepan-1-yl)-n-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide
+C[C@H]1CC=CC(=O)[C@H]([C@H](C[C@@H]2[C@H](O2)c3cc(cc(c3C(=O)O1)O)OC)O)O	HMY	(1ar,8s,13s,14s,15ar)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6h-oxireno[k][2]benzoxacyclotetradecine-6,12(1ah)-dione
+COc1ccc(c(c1)O)C(=O)CCC(=O)O	HMZ	4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid
+CCCCC[C@H]1[C@H](C[C@@H](O1)O)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2	HN0	2'-deoxy-n-[(2s,3s,5r)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate)
+CCCCC[C@@H]([C@@H]1C[C@H](N2C(=O)c3c(n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)NC2=N1)O)O	HN1	(6s,8r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-8-hydroxy-6-[(1s)-1-hydroxyhexyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one
+c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN2	1-phenyl-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
+Cc1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN3	1-(4-methylphenyl)-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
+CC(C)(C)c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN4	1-(4-tert-butylphenyl)-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
+CC(C)(C)c1ccc(cc1)CC[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN5	(1s,2r,5s,8r,8ar)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol
+CC(C)(C)c1ccc(cc1)CC[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN6	(1s,2r,5r,8r,8ar)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol
+CC(C)(C)c1ccc(cc1)C(=O)C[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN7	1-(4-tert-butylphenyl)-2-[(1s,2r,5s,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
+CO[C@H]1C[C@H]2[C@]3(C=C1)c4cc5c(cc4CN2C[C@@H]3O)OCO5	HN8	haemanthamine
+c1cc(ccc1Cn2ccnc2C(=O)O)O	HN9	1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid
+c1cc2c(c(c1)O)C(=O)c3c(ccc(c3C2=O)[N+](=O)[O-])O	HNA	1,8-di-hydroxy-4-nitro-anthraquinone
+CCCCC[C@@H]1CC[C@H](O1)O	HNB	(2s,5r)-5-pentyltetrahydrofuran-2-ol
+CCCCC[C@H]([C@H](CC=O)SC[C@@H](C(=O)O)N)O	HNC	s-[(1s,2r)-2-hydroxy-1-(2-oxoethyl)heptyl]-l-cysteine
+CCCCC[C@@H](CCCO)O	HND	(4s)-nonane-1,4-diol
+CCCCC[C@H](C=CC=O)O	HNE	(2e,4r)-4-hydroxynon-2-enal
+c1cc-2c(cc1[N+](=O)[O-])Cc3c2ccc(c3)O	HNF	7-nitro-9h-fluoren-2-ol
+c1c(c2c([nH]1)NC(=NC2=O)N)CN	HNG	2-amino-5-(aminomethyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+CN1CCC=C1c2ccc(nc2)O	HNH	5-(1-methyl-4,5-dihydro-1h-pyrrol-2-yl)pyridin-2-ol
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Ni]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O	HNI	protoporphyrin ix containing ni(ii)
+c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccc3N4CCCC4	HNJ	3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1h-1lambda~6~,2-benzothiazole-1,1-dione
+C[N@]1CCC[C@@H]1c2ccc(nc2)O	HNK	5-[(2r)-1-methylpyrrolidin-2-yl]pyridin-2-ol
+C[N@@]1CCC[C@H]1c2ccc(nc2)O	HNL	5-[(2s)-1-methylpyrrolidin-2-yl]pyridin-2-ol
+CNCCCC(=O)c1ccc(nc1)O	HNM	1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one
+CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Mn@@]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C	HNN	porphycene containing mn
+CC(C)(C)Nc1cnc2cc(c(cc2n1)Cl)Cl	HNO	n-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine
+C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O	HNP	hydantocidin-5'-monophosphate
+c1cc2c(ccc(c2nc1)O)[N+](=O)[O-]	HNQ	5-nitroquinolin-8-ol
+CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N	HNR	n-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methyl-benzenesulfonamide
+Cc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O	HNS	3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+c1cc2c(cc1[N+](=O)[O-])CN[C@H](C2)CO	HNT	[(3r)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
+COc1ccc(cc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	HNV	3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-d-mannopyranoside
+c1cc(ccc1C#CCO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	HNW	4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-d-mannopyranoside
+c1ccc2c(c1)cccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N	HNX	(2~{s})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid
+CCc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O	HNY	6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+Cc1ccc(cc1Nc2nc(nc(n2)N3CCNCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HNZ	3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+[Ho]	HO	holmium atom
+c1ccc(cc1)c2ccccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N	HO0	(2~{s})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid
+c1cc(cc(c1)C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3	HO1	3-hydroxy-4-oxo-6-[3-(1h-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid
+CCCCC[C@@H](\C=C\C=C\CCCCCCCC(=O)O)O	HO2	(9e,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid
+[Ho+3]	HO3	holmium (iii) atom
+C#Cc1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	HO4	5-ethynyl-7-(beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+Cc1ccc(cc1Nc2nc(nc(n2)N3CC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HO5	3-[[4-imidazol-1-yl-6-[(3~{s})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+Cc1ccc(cc1)Sc2c(nns2)C(=O)O	HO6	5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid
+c1cc(ccc1[C@H]2CN3CCSC3=N2)Br	HO7	(6s)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
+Cc1ccc(cc1Nc2nc(nc(n2)N3CCOCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HO8	3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+c1ccc(c(c1)COc2ccc3c(c2)C[C@@](CC3)(C(=O)O)N)c4nc5ccccc5o4	HO9	(2~{s})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid
+NO	HOA	hydroxyamine
+CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCCOC5CC(C(O5)COP(=O)(O)O)O)C)C	HOB	(3alpha,8alpha,14beta,17alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)oxy]propyl}carbamate
+CCCCCC[C@@H](C(=O)O)O	HOC	(2s)-2-hydroxyoctanoic acid
+C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O	HOE	2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+CN(C)C(=O)[C@H]1CCC=C[C@@H]1NC(=O)OCc2ccc(cc2)C(=O)OC	HOF	methyl 4-[[(1s,6s)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate
+c1cc(cc(c1)C(=O)O)C2=CC(=O)C(=C(N2)C(=O)O)O	HOG	6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+O	HOH	water
+CC(=O)N1CCc2c(ccc(n2)OC)[C@@H]1C(=O)Nc3ccc(cc3)OCc4ccccc4OC	HOJ	(5r)-6-acetyl-2-methoxy-n-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide
+Cc1ccc(cc1Nc2nc(nc(n2)N3CCC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HOK	3-[[4-imidazol-1-yl-6-[(3~{s})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCO[C@@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C)C	HOL	alpha-cholest-5-en-3-yl 3-[(2-deoxy-5-o-phosphono-alpha-d-glycero-pentofuranosyl)oxy]propylcarbamate
+CC1=C(C(=O)Oc2c1ccc(c2)O)CCO	HOM	7-hydroxy-4-methyl-3-(2-hydroxy-ethyl)coumarin
+C(C1=NC(=O)NC1=O)[C@@H](C(=O)O)N	HOO	(2~{s})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid
+c1ccc(cc1)[C@H]2CC[C@@H]([C@H](C2)O)c3ccc(cc3)C(=O)NCCCC(=O)O	HOP	(1s,2s,5s)2-(4-glutaridylbenzyl)-5-phenyl-1-cyclohexanol
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)C(C)(C)O)C(=O)O)C	HOQ	(1r)-2-(1-carboxy-2-hydroxy-2-methyl-propyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid
+c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3Cl)C#N)N4CCC[C@H](C4)N	HOR	4-[[(1r,2r)-2-[(3r)-3-azanylpiperidin-1-yl]-2,3-dihydro-1h-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile
+CC/C(=C(\C(=O)N/C(=C/C(=O)O)/C(=O)O)/NC(=O)[C@@H]1C=CCN1C(=O)[C@@H]2[C@@](Oc3cc(cc(c3O)Cl)[C@@H]([C@@H](C(=O)N[C@H](C(=O)N2)C(=C)C)NC)O)(C)CC)/C	HOS	phomopsin a
+Cc1ccc(cc1Nc2nc(nc(n2)N3CCC(CC3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HOT	3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+Cc1c(cccc1c2nnc(o2)Nc3cccc(c3)CNCCO)c4ccccc4	HOU	2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C)c4ccccc4	HOV	ethyl (4r)-4-[[(2s,3r)-1-[(2s)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
+c1conc1N	HOW	1,2-oxazol-3-amine
+c1cc(ccc1C[C@@H](C(=O)O)N)N	HOX	4-amino-l-phenylalanine
+C(CC(=O)O)[C@@H](CN)N	HOZ	(4s)-4,5-diaminopentanoic acid
+c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)O)O)N	HP0	(3s,4as,8as)-2-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid
+Cn1ccnc1C(=O)Nc2cn(c(c2O)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C	HP1	~{n}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C	HP2	hydroxypyrrole-imidazole-pyrrole polyamide
+C[C@H](CO)O	HP3	2,3-propandiol
+[O-][PH2]=O	HP4	phosphinate
+Cc1c2n3c(c1C(=C)OO)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C	HP5	peroxidized heme form 2
+CCCCCCC	HP6	heptane
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O	HP7	(2s,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid
+c1cc(c(c(c1)O)O)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	HP8	5'-o-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine
+c1[nH]c2c(n1)N=CNC2=O	HPA	hypoxanthine
+C[C@H]([C@H](Cc1ccccc1)N)O	HPB	2-hydroxy-3-amino-4-phenyl butane
+CC(=O)[C@H](Cc1ccccc1)N	HPC	3-amino-4-phenyl-butan-2-one
+C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)O	HPD	1-hydroxy-pentane-3,4-diol-5-phosphate
+c1ccc(cc1)CC[C@@H](C(=O)O)N	HPE	homophenylalanine
+c1ccc(c(c1)N[C@@H]([C@@H](COP(=O)(O)O)O)O)O	HPF	1-[(2-hydroxylphenyl)amino]3-glycerolphosphate
+C(CO)CO	HPG	hydroxypropyloxy group
+c1ccc(cc1)C[C@@H](C(O)O)N	HPH	(2s)-2-amino-3-phenylpropane-1,1-diol
+c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)O)C(=O)N	HPI	n-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine
+COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)N3O)c4ccccc4	HPJ	1-hydroxy-6-[1-(3-methoxypropyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1h)-one
+c1ccc(cc1)C(=O)C\C=C\C(=O)C(=O)[O-]	HPK	(3e)-2,6-dioxo-6-phenylhex-3-enoate
+CCCCCCCNC=O	HPL	heptylformamide
+COc1cc2c(cc1OC[C@H](CN3CCCCC3)O)ncnc2Nc4cnc(nc4)NC(=O)c5ccccc5	HPM	n-{5-[(7-{[(2s)-2-hydroxy-3-piperidin-1-ylpropyl]oxy}-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl}benzamide
+CCCCCCC(=O)N	HPN	heptanamide
+CCCCCC(=O)CP(=O)(O)O	HPO	2-oxoheptylphosphonic acid
+c1cc(ccc1CCC(=O)O)O	HPP	hydroxyphenyl propionic acid
+CC(=O)[C@H](CCc1ccccc1)N	HPQ	homophenylalaninylmethane
+c1nc2c(c(n1)O)NCN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	HPR	6-hydroxy-7,8-dihydro purine nucleoside
+c1ccc(cc1)OP(=O)(O)O	HPS	phenyl dihydrogen phosphate
+CC1=C(NC(=O)NC1=O)CCCO	HPT	6-hydroxypropylthymine
+CS(=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)c3ccccc3	HPU	n-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide
+C(C(=O)C(=O)O)OP(=O)(O)O	HPV	2-oxo-3-(phosphonooxy)propanoic acid
+CS(=O)(=O)Nc1cc(cc(c1)NS(=O)(=O)C)C2=CC(=CC(=O)N2O)c3ccccc3	HPW	n-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide
+c1ccc(cc1)C(=O)/C=C/C=C(/C(=O)O)\O	HPX	(2z,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
+C1=CNC(=O)N[C@H]1O	HPY	4-hydroxy-3,4-dihydro-1h-pyrimidin-2-one
+c1ccc(cc1)C(=O)\C=C\C=C(/C(=O)O)\O	HPZ	(2e,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
+CCCCCCCc1cc(c2ccccc2[n+]1[O-])O	HQ	2-heptyl-1,4-dihydroxy-quinolinium
+Cc1cnc(n1CCC=C)C(=O)O	HQ0	1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid
+c1cc(c2c(c1C(=O)O)cc(cn2)N3CCNCC3)O	HQ2	8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid
+Cc1cnc(n1Cc2ccccc2)C(=O)O	HQ3	5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)N	HQ5	 5'-o-(n-(l-leucyl)-sulfamoyl)cytidine
+CC(=O)N[C@H]1[C@@H](CN[C@@H]([C@H]([C@@H]1O)O)CO)O	HQ6	n-[(3r,4s,5r,6r,7r)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide
+CC1(CCc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)CCCC(=O)O)OC)F)C	HQ7	5-[(5r)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1h-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5h)-yl]-5-oxopentanoic acid
+C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O	HQ8	(1~{r},2~{s},4~{s},5~{r})-cyclohexane-1,2,3,4,5-pentol
+C1=CC(=O)C=C([C@H]1O)CC(=O)O	HQ9	2-(6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)ethanoic acid
+c1cc2cc(cnc2c(c1)O)C[C@@H](C(=O)O)N	HQA	3-(8-hydroxyquinolin-3-yl)-l-alanine
+CNc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-]	HQB	~{n}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
+c1cc2ccc(nc2c(c1)O)C(=O)NCCCC[C@@H](c3cccs3)C(=O)N[C@@H](CC(=O)O)C=O	HQC	3-{6-[(8-hydroxy-quinoline-2-carbonyl)-amino]-2-thiophen-2-yl-hexanoylamino}-4-oxo-butyri acid
+CC1=C(C(=O)c2ccccc2N1)O	HQD	3-hydroxy-2-methylquinolin-4(1h)-one
+c1cc(ccc1O)O	HQE	benzene-1,4-diol
+c1cc2c(cc1Cn3ccnc3C(=O)O)sc(n2)N	HQF	1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)OP(=O)(O)O)O)O)O)O)N	HQG	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O	HQH	piericidin a
+CC(=O)Nc1ccc(c2c1cccn2)O	HQI	n-(8-hydroxyquinolin-5-yl)acetamide
+c1cc(cc(c1)Cl)c2c[nH]cn2	HQJ	4-(3-chlorophenyl)-1h-imidazole
+CC(C)(C)c1ccc(cc1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl	HQK	pyridaben
+c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCc4[nH]nnn4	HQL	4-(benzhydryloxy)-1-[3-(1h-tetraazol-5-yl)propyl]piperidine
+Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)C3CCCCC3)[C@H]4C[C@H]4C(=O)O	HQM	(1r,2s)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid
+c1cc(c(cc1O)O)O	HQN	benzene-1,2,4-triol
+CCCCCCCc1cc(c2ccccc2[n+]1[O-])O	HQO	2-heptyl-4-hydroxy quinoline n-oxide
+c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)C#N)Nc4cc([nH]n4)C5CC5	HQP	4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-diene-1-carbonitrile
+CC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)Oc3ccccc3	HQQ	5-methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione
+Cc1cn(c(n1)C(=O)O)CCC=C	HQR	1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid
+c1cc(c(cc1N/C(=N\O)/c2c(non2)SCCNS(=O)(=O)N)Br)F	HQS	n-(3-bromo-4-fluorophenyl)-n'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide
+c1ccc2c(c1)C=CN(C2=S)O	HQT	2-hydroxyisoquinoline-1(2h)-thione
+c1ccc2c(c1)cc(c(n2)C(=O)O)O	HQU	3-hydroxyquinaldic acid
+C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	HQV	(2s,3r,4r,5s,6r)-3-[(2e)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+CC1=C(OC(=C(C1=O)C)OC)[C@H]2C/C(=C/C(=C/c3ccc(cc3)[N+](=O)[O-])/C)/CO2	HQW	aureothin
+c1cc2cccnc2c(c1)O	HQY	quinolin-8-ol
+[B-]([C@@H](C)NS(=O)(=O)C)(O)(O)O	HQZ	trihydroxy{(1s)-1-[(methylsulfonyl)amino]ethyl}borate(1-)
+Cc1c(c2nc(c3cccnc3n2n1)O)C#N	HR0	5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
+CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccccc4)c5ccc(cc5)F)CC[C@H](C[C@H](CC(=O)O)O)O	HR1	(3r,5r)-7-[1-(4-fluorophenyl)-3-isopropyl-4-oxo-5-phenyl-4,5-dihydro-3h-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoic acid
+CC(C)n1c(c(c2c1C(=O)N(CCC2)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O	HR2	(3r,5r)-7-[3-(4-fluorophenyl)-1-isopropyl-8-oxo-7-phenyl-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptanoic acid
+COc1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O	HR3	5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid
+c1cc(ccc1CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)S)O)N)F	HR4	(2s,4ar,6r,7r,7as)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9h-purin-9-yl}-2-sulfanyltetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide
+Cc1c(cnn1C)C(=O)NCC2CCC2	HR5	~{n}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide
+c1ccc(cc1)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)S)O)N	HR6	(2s,4ar,6r,7r,7as)-6-[6-amino-8-(benzylsulfanyl)-9h-purin-9-yl]-2-sulfanyltetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide
+C(C[C@@H](CC(=O)O)N)CN=C(N)N	HR7	(3s)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid
+CC(C)CNC(=O)c1cc(ccc1OC)Cl	HR8	5-chloranyl-2-methoxy-~{n}-(2-methylpropyl)benzamide
+c1ccc(cc1)CCCCNc2cnc(cc2C(=O)O)C(=O)O	HR9	5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid
+c1ccc(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c3c(ncn4)N[C@@H]5CC[C@H](OC5)CO	HRA	1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-d-erythro-hexitol
+CCCCC[C@@H]1[C@H](C[C@@H](O1)O)n2cc(nc2)C[C@@H](C(=O)O)NC(=O)C	HRB	n-acetyl-1-[(2r,3s,5r)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-l-histidine
+Cc1cc(cc(c1NS(=O)(=O)c2ccccc2)C)O	HRC	n-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
+CNc1[nH]c2cc3c(cc2n1)N=C(NC3=O)NC	HRD	2,6-bis(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CC(C)c1c2c(nn1c3cnc(nc3OC)N(C)C)C(=O)N([C@H]2c4ccc(cc4)C#N)C5=CC(=CNC5=O)Cl	HRE	4-[(4~{s})-5-(5-chloranyl-2-oxidanylidene-1~{h}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{h}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile
+c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O	HRF	5-(benzylamino)pyridine-2,4-dicarboxylic acid
+C(CCNC(=N)N)C[C@@H](C(=O)O)N	HRG	l-homoarginine
+Cc1cc(ccc1[C@H]2c3c([nH]nc3C(C)C)C(=O)N2c4cccc(c4F)Cl)Cl	HRH	(4~{s})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
+CC(C)CC(C(=O)O)Cl	HRI	alpha-chloroisocaproic acid
+Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(=O)O)O)C3=NOC(=O)N3	HRJ	3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O	HRK	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol
+COc1ccccc1CNc2cnc(cc2C(=O)O)C(=O)O	HRL	5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid
+Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC	HRM	7-methoxy-1-methyl-9h-beta-carboline
+C[C@@H](c1ccc(cc1Cl)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cc(ccc5N6CCC(CC6)N7CCCOC7=O)C(=O)O)Cl)c8ccccc8	HRN	3-[[6-chloranyl-3-[3-[(1~{s})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{h}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid
+C1(=C(NC(=O)NC1=O)C(=O)O)Cl	HRO	5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc2c(cc1O)c(c[nH]2)C[C@H](C(=O)O)N	HRP	5-hydroxy-l-tryptophan
+Cc1ccc(cc1)N2CC[C@@H](C2)NC(=O)c3c[nH]c4c3cccc4OC	HRQ	7-methoxy-~{n}-[(3~{s})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{h}-indole-3-carboxamide
+c1ccc(c(c1)CNc2cnc(cc2C(=O)O)C(=O)O)C3CC3	HRR	5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid
+c1cc(ccc1NS(=O)(=O)c2ccc(s2)Br)N(=O)=O	HRS	5-bromo-n-(4-nitrophenyl)thiophene-2-sulfonamide
+C[C@@H](c1cccc(c1)Cl)N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5)Cl	HRT	(4~{s})-4-(4-chlorophenyl)-5-[(1~{s})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one
+CC(C)C12C3[Ru]14567(C3C4(C5C62)C)[NH2+]CC[NH2+]7	HRU	(ethane-1,2-diamine-kappa~2~n,n')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium
+C[C@]1([C@@H](OCC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3c(cc(cn3)Cl)Cl	HRV	n-{3-[(2r,3r)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2h-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide
+Cc1cc(nc(n1)SCC(=O)/N=C\2/NC=C(S2)Cc3cccc(c3)C(F)(F)F)C	HRW	2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-n-[(2z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3h)-ylidene]acetamide
+c1cc(cnc1)CCC(O)(P(=O)(O)O)P(=O)(O)O	HRX	[1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid)
+CN1C=C(C=CC1=O)c2ccc3c(c2)c(nc(n3)N4CCN(CC4)CCN(C)C)NCc5cccc(c5)Cl	HRY	5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1h)-one
+C1=CC(=O)NC=C1	HRZ	1~{h}-pyridin-2-one
+c1c(cc2c(c1N)cn[nH]2)Br	HS0	6-bromanyl-1~{h}-indazol-4-amine
+COc1ccc(cc1)S(=O)(=O)[N@@](C[C@@H](CO)O)CC(=O)N=O	HS1	2-[[(2s)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-n-oxo-ethanamide
+COc1ccc(cc1)S(=O)(=O)N[C@H](CO)C(=O)N=O	HS3	(2r)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-n-oxo-propanamide
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCC(=O)NO	HS4	n-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide
+c1cc(ccc1F)S(=O)(=O)N(CCO)CC(=O)N=O	HS5	2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-n-oxo-ethanamide
+c1cc(ccc1F)S(=O)(=O)NCC(=O)N=O	HS6	2-[(4-fluorophenyl)sulfonylamino]-n-oxo-ethanamide
+c1ccc(cc1)S(=O)(=O)NCC(=O)N=O	HS7	n-oxo-2-(phenylsulfonylamino)ethanamide
+c1c([nH+]cn1S(=O)(=O)O)C[C@@H](C(=O)O)N	HS8	3-(1-sulfo-1h-imidazol-3-ium-4-yl)-l-alanine
+CN[C@@H](Cc1c[nH]cn1)C(=O)N	HS9	n-alpha-methyl-l-histidinamide
+c1c(nc[nH]1)CC(COP(=O)(O)O)N	HSA	phosphoric acid mono-[2-amino-3-(3h-imidazol-4-yl)-propyl]ester
+CCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O	HSC	(s)-3-hydroxydecanoyl-coa
+C1=C([C@H]([C@@H]([C@H]([C@@H]1N)O)O)O)CO	HSD	(1s,2s,3r,6r)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
+C(CO)[C@@H](C(=O)O)N	HSE	l-homoserine
+CCCCCCCCCCCCCCCCS(=O)(=O)F	HSF	1-hexadecylsulfonyl fluoride
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O	HSG	octyl alpha-l-altropyranoside
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	HSH	octyl beta-d-galactopyranoside
+CCCCCC[C@H](CC(=O)O)C(=O)c1ccc(cc1)C#Cc2ccc(cc2)Cl	HSI	(3r)-3-{4-[(4-chlorophenyl)ethynyl]benzoyl}nonanoic acid
+CCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O	HSJ	octyl beta-l-talopyranoside
+c1c(n(cn1)O)C[C@@H](C(=O)O)N	HSK	3-hydroxy-l-histidine
+C1COC(=O)[C@H]1N	HSL	homoserine lactone
+c1c(nc[nH]1)CCN	HSM	histamine
+c1c([nH+]c[nH]1)C[C@@H](CO)N	HSO	l-histidinol
+c1ccc(c(c1)O)[S@](=O)CCCCP(=O)(O)O	HSP	4-(2-hydroxyphenylsulfinyl)-butylphosphonic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O	HSQ	2-acetylamino-2-deoxy-alpha-l-idopyranose
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	HSR	2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+c1c([nH]cn1)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	HSS	5'-o-[(l-histidylamino)sulfonyl]adenosine
+CCCCCC(CCCCC)Sc1c(nn[nH]1)C(=O)O	HST	4-carboxy-5-(1-pentyl)hexylsulfanyl-1,2,3-triazole
+C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O	HSU	beta-d-ribofuranose
+c1c([nH+]c[nH]1)C[C@@H](C=O)N	HSV	l-histidinal
+NS(=O)(=O)NO	HSW	n-hydroxysulfamide
+C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O	HSX	5-o-phosphono-alpha-d-ribofuranose
+C1[C@@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O	HSY	alpha-l-xylopyranose
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	HSZ	beta-d-xylopyranose
+CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O	HT	2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(CC6)C	HT1	2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C(=N)N)C(=N)N	HT2	5-amidino-2-[2-(4-amidinophenyl)-5-benzimidazolyl]benzimidazole
+CCCC[C@@H]([C@@H](CO)O)O	HT3	(2r,3s)-heptane-1,2,3-triol
+Cc1ccc(c(c1)S)O	HT4	4-methyl-2-sulfanylphenol
+CCCCCCCCCC(=O)N[C@H]1CCSC1=O	HT5	(4s)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2h-thiophenium
+CCCCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	HT6	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol
+c1ccc2c(c1)c(c[nH]2)C[C@@H](CC(=O)O)N	HT7	(3s)-3-amino-4-(1h-indol-3-yl)butanoic acid
+c1ccc2cc(ccc2c1)C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3	HT8	(5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)NC	HTA	n-[3-(n'-hydroxycarboxamido)-2-(2-methylpropyl)-propanoyl]-o-tyrosine-n-methylamide
+c1ccc2c(c1)cc(o2)CNCCCCCCCNc3c4ccccc4nc5c3CCCC5	HTB	n-(1-benzofuran-2-ylmethyl)-n'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
+c1cc(c(cc1C(=O)O)O)NS(=O)(=O)c2ccsc2C(=O)O	HTC	3-{[(4-carboxy-2-hydroxyaniline]sulfonyl}thiophene-2-carboxylic acid
+Cc1ncc2c(n1)N[C@@H]3[N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C	HTD	2-[(9ar)-2,7-dimethyl-9a,10-dihydro-5h-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl]ethyl trihydrogen diphosphate
+c1ccc(cc1)C2=N[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)N2	HTE	(5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
+CCCCCCCC(=O)N[C@H]1CCOC1=O	HTF	n-(2-oxotetrahydrofuran-3-yl)octanamide
+CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	HTG	heptyl 1-thio-beta-d-glucopyranoside
+CCCC[C@H]([C@H](CO)O)O	HTH	(2s,3r)-heptane-1,2,3-triol
+C([C@@H](C(=O)O)N)[C@H](O)SC[C@@H](C(=O)O)N	HTI	(4s)-4-{[(2s)-2-amino-3-oxopropyl]sulfanyl}-l-homoserine
+c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O	HTJ	6-phenyl-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+C[C@@H](CC(=O)CC(=O)CC(=O)c1ccccc1)O	HTK	(7s)-7-hydroxy-1-phenyloctane-1,3,5-trione
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O	HTL	2-acetyl-thiamine diphosphate
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1OCCCO)C(=O)O)O	HTM	3-hydroxypropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid
+CNC(=O)[C@@H]([C@H](C(=O)O)N)O	HTN	(3r)-3-hydroxy-n-methyl-d-asparagine
+CCCC[C@H]([C@@H](CO)O)O	HTO	heptane-1,2,3-triol
+c1c2[n+]([nH]n1)[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	HTP	4,5,6-trihydroxy-7-hydroxymethyl-4,5,6,7-tetrahydro-1h-[1,2,3]triazolo[1,5-a]pyridin-8-ylium
+CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](c3ccccc3)O	HTQ	homotropine
+c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](C(=O)O)N)O	HTR	beta-hydroxytryptophane
+c1ccc(c(c1)O)S	HTS	2-mercaptophenol
+CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nc4)CC=CN5O)Cl	HTT	7-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4h)-ol
+c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C5(CCC5)O	HTV	1-o-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1h-indole-3-carbonyl}-beta-d-glucopyranuronic acid
+c1ccc2c(c1)cccc2C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3	HTW	(5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
+CCCCCC(=O)C	HTX	heptan-2-one
+c1cc(ccc1[C@H]([C@H](C(=O)O)N)O)O	HTY	(betar)-beta-hydroxy-d-tyrosine
+CN(C)CCCN(C)[C@H]1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5CO)Cl)c6ccccc6	HTZ	[6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{h}-indol-2-yl]-[(3~{s})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone
+c1cc(ccc1CNc2cc(cc3c2cn[nH]3)Br)O	HU0	4-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]phenol
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC4CCC4)C(=O)C(=O)N)C	HU1	tert-butyl {(1s)-2-[(1r,2s,5s)-2-({[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino}carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate
+CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C/C=C/CC(C)C)C(C)C	HU2	(2s)-({n-[(3s)-3-({n-[(2s,4e)-2-isopropyl-7-methyloct-4-enoyl]-l-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)aceti c acid
+c1c(cc(c2c1[nH]nc2)NC[C@H]3CCCC[C@@H]3O)Br	HU3	(1~{s},2~{r})-2-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
+CC1([C@H]2[C@@H](O1)CN([C@@H]2C(=O)N[C@@H](CC3CCC3)C(=O)C(=O)N)C(=O)[C@H](C4CCCCC4)NC(=O)OC(C)(C)C)C	HU4	tert-butyl {(1s)-2-[(1r,2s,5r)-2-({[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino}carbonyl)-7,7-dimethyl-6-oxa-3-azabicyclo[3.2.0]hept-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC3CCC3)C(=O)C(=O)N)C	HU5	(1r,2s,5s)-n-[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2s)-2-{[(tert-butylamino)carbonyl]amino}-3,3-dimet hylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br	HU6	(1~{r},2~{s})-2-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
+CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O	HU7	1-o-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1h-indole-3-carbonyl}-beta-d-glucopyranuronic acid
+CC(C)(C)NC(=O)Cc1ccc(cc1n2c(c(nc2C3CCCCC3)c4[nH]nnn4)c5ccc(c(c5)Cl)F)Cl	HU8	~{n}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{h}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide
+c1cc(c(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br	HU9	(1~{r},2~{s})-2-[[(5-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
+CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4	HUB	huperzine b
+c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@@H]3Cl)Br	HUC	6-bromanyl-~{n}-[[(1~{s},2~{s})-2-chloranylcyclohexyl]methyl]-1~{h}-indazol-4-amine
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)N)O)C	HUD	tert-butyl {(2s)-1-[(1r,2s,5s)-2-{[(2s,3r)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
+C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)NCCN5CCN(CC5)C6CCCCC6)Cl)c7ccccc7	HUE	6-chloranyl-3-[3-[(1~{s})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{n}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{h}-indole-2-carboxamide
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C=O	HUF	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4s)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1h-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+c1cc(ccc1c2c(cc3c(c2F)c(c[nH]3)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F)[C@@H]5CCCCO5	HUG	1-o-(4,6-difluoro-5-{4-[(2s)-oxan-2-yl]phenyl}-1h-indole-3-carbonyl)-beta-d-glucopyranuronic acid
+c1cnn[nH]1	HUH	1~{h}-1,2,3-triazole
+C[C@@H](CO)C(=O)O	HUI	(2s)-2-methyl-3-oxidanyl-propanoic acid
+B(C(CC(C)C)NC(=O)c1cn(nn1)CCNC(=O)c2ccc(c(c2OC)OC)OC)(O)(O)O	HUJ	[(1r)-3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron
+CCCC[NH+](C)[C@@H](Cc1c[nH]c2c1cccc2)C[NH+](C)CCC3CCCCCC3	HUK	butyl-[(2~{s})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{h}-indol-3-yl)propan-2-yl]-methyl-azanium
+COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O	HUL	5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4h-chromen-4-one
+C[C@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C	HUM	(2s)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+CCCC[NH2+][C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3	HUN	butyl-[(2~{s})-1-(2-cycloheptylethylamino)-3-(1~{h}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](C(C)C)NC(=O)OCc4ccccc4	HUO	(phenylmethyl) n-[(2s)-1-[[(2s)-1-[[(2s)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
+C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3	HUP	huperzine a
+CCCC[N+](C)(C)[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3	HUQ	butyl-[(2~{s})-1-(2-cycloheptylethylamino)-3-(1~{h}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)c4cc5c([nH]4)cccc5OC	HUR	n-[(2s)-1-[[(2s)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCCC3CCCCCC3	HUT	(2~{s})-2-(butylamino)-~{n}-(3-cycloheptylpropyl)-3-(1~{h}-indol-3-yl)propanamide
+CCc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F	HUU	6-chloranyl-2-ethyl-n-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
+COC(=O)c1ccc2c(c1)ccn2[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	HUV	methyl 1-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-d-erythro-pentofuranosyl}-1h-indole-5-carboxylate
+c1cc2c(cc1Cl)nc3c(c2N)[C@H]4C[C@@H](C3)C=C(C4)CCO	HUW	huprine w
+CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)N)[C@@H](C2)C1	HUX	3-chloro-9-ethyl-6,7,8,9,10,11-hexahydro-7,11-methanocycloocta[b]quinolin-12-amine
+CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F	HUY	1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one
+CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCC(CC3)N(C)C	HUZ	(2~{s})-2-(butylamino)-~{n}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{h}-indol-3-yl)propanamide
+Cc1c(c2cc(ccn2n1)OC)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F	HV0	5-methoxy-2-methyl-~{n}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
+CC(C)(C)[C@@H](C(=O)NN(Cc1ccc(cc1)Br)C(=O)CC[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	HV1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate 
+C1C(CS1(=O)=O)O	HV2	1,1-bis(oxidanylidene)thietan-3-ol
+C#CCOc1ccc(cc1)/C=C\2/C(=O)NC(=S)S2	HV4	(5z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
+CC(C)(C)[C@@H](C(=O)O)N	HV5	tert-butylalanine
+COc1ccc(c(c1)O)C(=O)/C=C(/C(C(F)(F)F)(F)F)\O	HV6	(z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one
+COc1ccc(c(c1)O)CN	HV7	1-methylamine-2-hydroxy-4-methoxy-benzene
+COc1ccc(cc1)CN[C@H]([C@@H]([C@H](Cc2ccccc2)N)O)C(=O)O	HV8	benzyl-2-amino-paramethoxy-benzylstatine
+Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCN(CC2)c3nccc(n3)C(F)(F)F	HV9	4-methyl-n-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide
+CC(C)([C@@H](C(=O)O)N)O	HVA	3-hydroxy-l-valine
+CCC(=[NH2+])N	HVB	1-azanylpropylideneazanium
+CCCCCc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O	HVD	(1'r,2'r)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol
+c1c[nH]c2c1c(ncn2)N3CCC(CC3)C[NH3+]	HVE	[1-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium
+C/C=C/C1C=C[C@@H]2C[C@@H](CC[C@H]2[C@]1(C)C(=O)C3=C([C@H](N(C3=O)C)CO)O)C	HVF	equisetin
+c1cc(c(cc1[C@@H](C(=O)O)N)C(=O)O)C(=O)O	HVG	4-[(s)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid
+CN1CCc2cc(ccc2C1)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5	HVH	~{n}-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1~{h}-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
+Cc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O	HVJ	(1'r,2'r)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol
+c1ccnc(c1)N	HVK	pyridin-2-amine
+C[C@@]1(CCCC(O1)(C)C)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)O)C)O)C	HVL	(3r,5r,6s,8r,9r,10r,12r,13r,14r,17s)-4,4,8,10,14-pentamethyl-17-[(2r)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6,12-triol
+c1cc(cc(c1)N)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3	HVM	(2e)-n-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide
+Cc1c(c(n(n1)C)C)c2cccc3c2[nH]c(c3CCCO[C@@H]4CCCc5c4cccc5)C(=O)O	HVN	3-[3-[[(1~{r})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{h}-indole-2-carboxylic acid
+CC(=O)c1ccc(cc1)Oc2ccc(c(c2)C(C)(C)C)O	HVO	1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone
+c1ccc(c(c1)S(=O)(=O)O)S(=O)(=O)F	HVP	2-(fluorosulfonyl)benzene-1-sulfonic acid
+c1cscc1C[NH3+]	HVQ	thiophen-3-ylmethylazanium
+CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)C#CCO	HVR	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol
+C/C(=C\C(=O)C(=O)O)/C=C(/c1ccccc1)\[O-]	HVS	(1z,3e)-5-carboxy-3-methyl-5-oxo-1-phenylpenta-1,3-dien-1-olate
+CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccc3ccccc3c2	HVT	(3~{s},7~{s},8~{s})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione
+CN1CCC(CC1)c2c[nH]c3c2cc(cc3)O	HVU	3-(1-methylpiperidin-4-yl)-1h-indol-5-ol
+C/C=C/C/C=C/CC[C@]1([C@H](CC(=O)N1)O)O	HVV	(4s,5r)-4,5-dihydroxy-5-[(3e,6e)-octa-3,6-dien-1-yl]pyrrolidin-2-one
+CC(C)C[C@@H](C(=O)NCC=C)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)C)C(F)(F)F	HVW	(2~{s})-4-methyl-~{n}-prop-2-enyl-2-[[(1~{s})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
+CCCCOc1ccc(cc1CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)C[C@H](CC)C(=O)O	HVX	(2s)-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5c(cccc5Cl)C	HVY	n-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide
+CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Cl)S(=O)=O	HVZ	~{n}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(n3)N	HW0	6-{[(3r,4r)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C	HW1	6-[5-({(3r,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine
+c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O	HW2	isoquercetin
+CC[C@@H](Cc1ccc(c(c1)C(=O)NCc2ccc(c(c2)F)Oc3ccc(cc3)F)OC)C(=O)O	HW3	(2s)-2-[[3-[[3-fluoranyl-4-(4-fluoranylphenoxy)phenyl]methylcarbamoyl]-4-methoxy-phenyl]methyl]butanoic acid
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCCCc3cccc(c3)F	HW4	6-{[(3s,4s)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCC=Cc3cccc(c3)F	HW5	6-{[(3s,4s)-4-{[(4e)-5-(3-fluorophenyl)pent-4-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cc(cc(c3)Cl)F	HW6	6-{[(3r,4r)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCOc3cc(cc(c3)Cl)F	HW7	6-({(3r,4r)-4-[4-(3-chloro-5-fluorophenoxy)butoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3	HW8	4-methyl-6-{[(3r,4r)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine
+Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C	HW9	4-methyl-6-{[(3r,4r)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine
+CC1=CC(=O)C(=C(N1)C(=O)O)O	HWA	3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O	HWB	cyanidin
+C1=CN(C(=O)NC1=O)C[C@@H](C(=O)O)N	HWD	2-amino-3-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
+CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccccc2	HWE	(3~{s},7~{s},8~{s})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione
+Cc1cc(cc(c1)C(=O)N(C(C)(C)C)NC(=O)c2ccc3c(c2C)OCCO3)C	HWG	n-(tert-butyl)-3,5-dimethyl-n'-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]benzohydrazide
+CC(=O)NCCc1c[nH]c2c1cc(cc2)F	HWH	~{n}-[2-(5-fluoranyl-1~{h}-indol-3-yl)ethyl]ethanamide
+CCc1c(c(nc(n1)N)N)OCCCOc2cc(ccc2N3CC(C3)C(=O)O)C	HWI	1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid
+Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3	HWJ	3-hydroxy-6-[2-methyl-4-(1h-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+c1ccc(c(c1)CCC2Oc3ccccc3O2)C(=O)O	HWK	2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid
+CC1=CC(=O)C(=CN1c2ccc(cc2)c3[nH]nnn3)O	HWM	5-hydroxy-2-methyl-1-[4-(1h-tetrazol-5-yl)phenyl]pyridin-4(1h)-one
+CC(C)(C)C1=Sc2c(nc(nc2N(C)CCC#N)N(C)[C@H]3CCN(C3)C)C1	HWN	3-[[6-~{tert}-butyl-2-[methyl-[(3~{s})-1-methylpyrrolidin-3-yl]amino]-7~{h}-thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
+CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3	HWQ	3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
+C/C/1=C\C2=O[Fe]345(O=C(N(O3)CCC[C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)/C=C(\C)/CCO)O=C(N(O5)CCC[C@@H](C(=O)OCC1)NC(=O)C)/C=C(\C)/CCO	HWS	coprogen
+CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N	HWT	3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	HWU	(2r,3r,4r,5r,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cc(cc4C)F)C)C(C)(C)O)C	HWV	n-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide
+CC(C)(C)c1cc2c(s1)c(nc(n2)N(C)CCCN(C)C)N(C)CCC#N	HWW	3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
+C[C@H](C(=O)NO)NC(=O)[C@H](CCNCC(=O)O)NC(=O)C	HWX	2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC(=O)N3c4ccccc4)O)S(=O)(=O)c5ccc(cc5)OC	HWY	(3as,5r,6ar)-2-oxo-3-phenylhexahydro-2h-cyclopenta[d][1,3]oxazol-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N	HWZ	3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile
+CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC	HX0	n,n,n-trioctyloctan-1-aminium
+C[C@H](CC[C@@H](C)O)O	HX2	(2r,5r)-hexane-2,5-diol
+c1cc(c(cc1NN)Cl)Cl	HX3	(3,4-dichlorophenyl)hydrazine
+c1ccc(cc1)c2cc(n[nH]2)N	HX4	5-phenyl-1h-pyrazol-3-amine
+CSc1nc(cc(n1)Cl)Cl	HX5	4,6-dichloro-2-(methylsulfanyl)pyrimidine
+c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)C(=O)NO	HX6	n-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide
+CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	HX7	n-{4-[(2s)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+c1ccc(cc1)Oc2ccc(cc2)O	HX8	4-phenoxyphenol
+C[C@H](C(=O)NO)NC(=O)[C@H](CCC[C@H](C(=O)O)NC(=O)C)NC(=O)C	HX9	(2~{r},6~{s})-2,6-diacetamido-7-[[(2~{r})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid
+CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O	HXA	docosa-4,7,10,13,16,19-hexaenoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@](O2)(C)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	HXB	4'-methylthymidine 5'-(tetrahydrogen triphosphate)
+CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	HXC	hexanoyl-coenzyme a
+CCCCCCCCC[C@H](CC(=O)O)O	HXD	(3r)-3-hydroxydodecanoic acid
+CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N	HXE	3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
+C[C@H](C(=O)NO)NC(=O)[C@H](CCN(Cc1ccccc1)CC(=O)O)NC(=O)C	HXF	2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid
+CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC	HXG	1,2-dihexanoyl-sn-glycero-3-phosphocholine
+c1ccc(cc1)Oc2ccc(cc2)CN[C@@H]3C=C[C@H]([C@@H]([C@H]3O)O)O	HXH	(1s,2s,3r,6r)-6-[(4-phenoxybenzyl)amino]cyclohex-4-ene-1,2,3-triol
+CCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)O	HXJ	2-[[(e,2s,3r)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
+CCCCCCCCOc1cc(cc(c1)O)CSc2ccccc2C(=O)O	HXK	2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid
+[H]/N=C(/c1ccc(cc1)Oc2ccc(cc2)c3[nH]c4ccc(cc4n3)/C(=N/[H])/N)\N	HXL	2-(4-(4-carbamimidoylphenoxy)phenyl)-1h-benzo[d]imidazole-6-carboximidamide
+CC(C)N(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	HXM	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](propan-2-yl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+CN(C)CCCN(C)c1nc2ccc(cc2c(n1)N(C)CCC#N)Br	HXN	3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile
+C[C@H](C(=O)NO)NC(=O)[C@H](Cc1ccc(cc1)S(=O)(=O)N)NC(=O)C	HXO	(2s)-2-acetamido-n-[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide
+c1cc2c(cc1O)Oc3cc(ccc3C2CCC(=O)O)O	HXP	3,6-dihydroxy-xanthene-9-propionic acid
+CCN(C)c1c2cc(ccc2nc(n1)N(C)C3CCN(CC3)C)S(=O)(=O)Nc4c(nn(c4C)C)C	HXQ	4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{n}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide
+c1cc(ccc1CC(=O)NO)c2ccc(cc2)S(=O)(=O)N	HXR	n-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide
+CC[C@@H](c1ccc(cc1)O)[C@H](CC)c2ccc(cc2)O	HXS	4-[(1r,2s)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol
+c1ccc(cc1)C(=O)CO	HXT	2-hydroxy-1-phenylethanone
+CCc1c(c(nc(n1)N)N)OCCCCOc2ccccc2CCc3[nH]nnn3	HXV	6-ethyl-5-(4-{2-[2-(1h-tetrazol-5-yl)ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine
+CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N4C=CC[C@H]4CC#N	HXW	2-[(2~{s})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile
+c1cc(c(c(c1Cl)C(=O)O)O)Cl	HXX	3,6-dichloro-2-hydroxybenzoic acid
+c1cc(ccc1CN2CCCC2)Br	HXY	1-(4-bromobenzyl)pyrrolidine
+CC[C@]1([C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O	HXZ	4'-ethylthymidine 5'-(tetrahydrogen triphosphate)
+CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N	HY0	hygromycin b variant
+c1ccc(cc1)CC=O	HY1	phenylacetaldehyde
+COc1cc2c(cc1OCCCN3CCN(CC3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O)NC[C@@H]7CCCN7C2=O	HY2	2-{2-[4-(3-{[(11as)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1h-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1h-benzo[de]isoquinoline-1,3(2h)-dione
+C1CN[C@@H]([C@H]1O)C(=O)O	HY3	3-hydroxyproline
+CCCCOC[C@H](COP(=O)(CCC)O)OCCCC	HY4	(2r)-2,3-dibutoxypropyl hydrogen (s)-propylphosphonate
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)O)O)[C@H](C)CNC(=O)C5CC5)O)C)COC	HY5	fc-ncpc
+c1cc(ccc1CC(=O)NCC(=O)NO)S(=O)(=O)N	HY6	n-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide
+CN1CCN(CC1)CC2=Nc3c4cc(ccc4oc3C(=O)N2)Br	HY7	8-bromanyl-2-[(4-methylpiperazin-1-yl)methyl]-3h-[1]benzofuro[3,2-d]pyrimidin-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@@H](O3)CN(CCCNc4c5c(ncn4)n(cn5)[C@@H]6[C@@H]([C@@H]([C@@H](O6)CO)O)O)CC[C@@H](C(=O)O)N)O)O)N	HY8	(2~{s})-4-[[(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{s},3~{r},4~{s},5~{s})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid
+C[C@H](C(=O)NO)NC(=O)[C@H](CCN(CC1CCCC1)CC(=O)O)NC(=O)C	HY9	2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid
+C([C@H]([C@@H](/C(=N/O)/O)O)O)O	HYA	2,3,4,n-tetrahydroxy-butyrimidic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H](Cc2cccc3c2cccc3)CS(=O)(=O)C(C)(C)C	HYB	[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionyl-valinyl]-phenylalaninol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)CCCCCCCCC(=O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O	HYC	o5'-[9-(3,17b-dihydroxy-1,3,5(10)-estratrien-16b-yl)-nonanoyl]adenosine
+[OH-]	HYD	hydroxy group
+C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCO)O	HYE	(2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde
+CC(C)C(=O)[C@]12C(=C(C(=O)[C@](C1=O)(C[C@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C)O	HYF	4-hydroxy-5-isobutyryl-6-methyl-1,3,7-tris-(3-methyl-but-2-enyl)-6-(4-methyl-pent-3-enyl)-bicyclo[3.3.1]non-3-ene-2,9-dione
+CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@H]3[C@H](C([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@@H]([C@H]([C@@H](O4)[C@H](CO)N)O)O)O)O)N	HYG	hygromycin b
+CCCC[C@H](C(=O)N)O	HYH	(2r)-2-hydroxyhexanamide
+C(CSC[C@@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N	HYI	(2s)-2-amino-4-[(2r,3r)-2,3-dihydroxy-3-n-hydroxycarbamoyl-propylmercapto]butyric acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N[C@H]3CC[C@@H](c4c3cccc4)Oc5ccc6nnc(n6c5)C(C)C	HYK	1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{s},4~{s})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
+C\1CNC(=O)c2c(c(c([nH]2)Cl)Cl)/C1=C\3/C(=O)N=C(N3)N	HYM	(4z)-4-(2-amino-5-oxo-3,5-dihydro-4h-imidazol-4-ylidene)-2,3-dichloro-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1h)-one
+C1C(=O)NC(=O)N1	HYN	imidazolidine-2,4-dione
+CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3	HYO	[(1s,5r)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2s)-3-hydroxy-2-phenylpropanoate
+C1[C@H](CN[C@@H]1C(=O)O)O	HYP	4-hydroxyproline
+c1ccc2c(c1)c(ccc2[N+](=O)[O-])N3C(=O)[C@H]4C5CCC([C@H]4C3=O)CC5	HYQ	rel-(3ar,4s,7r,7as)-3a,4,7,7a-tetrahydro-2-(4-nitro-1-naphthalenyl)-4,7-ethano-1h-isoindole-1,3(2h)-dione
+c1ccc(cc1)OCCNC=S	HYR	n-(2-phenoxyethyl)methanethioamide
+CS(=O)(=O)Nc1ccc(cc1)OC[C@H](CNCCc2ccc(c(c2)Cl)Cl)O	HYS	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+Cn1nc(c(n1)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F	HYT	2-methyl-5-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide
+c1ccc(cc1)CC2CCN(CC2)C(=O)C3CCN(CC3)c4nnc(s4)n5cccc5	HYV	[4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N[C@H]3CC[C@H](c4c3cccc4)Oc5ccc6nnc(n6c5)C(C)C	HYW	1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{s},4~{r})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
+CCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	HYY	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](propyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c(c(ncn4)N)CNN5CCCCC5	HYZ	n-[1-(3-fluorobenzyl)-1h-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine
+C[C@@H]1[C@@H]2C[C@]([C@@H](C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O)[C@@H](C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O	HZ0	(10e,12e)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl n-methyl-n-(3-(methylsulfinothioyl)propanoyl)-d-alaninate
+CCCCCCCC(=O)O[C@H]1[C@H]2C([C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCc4ccc(c(c4)CCCCCCNC(=O)OC(C)(C)C)O)([C@](C(=O)O3)(C)O)O)C([C@@H]1OC(=O)/C(=C\C)/C)C	HZ1	(3s,3ar,4s,6s,6ar,7s,8s,9r,9as,9bs)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCNc4c5c(ncn4)n(cn5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)O)O)N	HZ2	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid
+COC(=O)C1=C([C@@H]2C(=C([C@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OC	HZ3	dimethyl (1r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
+CCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	HZ4	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](ethyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+Cc1c(c(n(n1)C)C)NS(=O)(=O)C	HZ5	~{n}-(1,3,5-trimethylpyrazol-4-yl)methanesulfonamide
+CCCCCCC[C@@H](O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O[C@@H](CCCCCCC)O	HZ7	(1r,2s,3s,4r,5s,6r)-5-{[(r)-[(2r)-2,3-bis{[(1s)-1-hydroxyoctyl]oxy}propoxy](hydroxy)phosphoryl]oxy}-2,4,6-trihydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)]
+CCN(C)c1c2ccccc2nc(n1)N(C)C3CCN(CC3)C	HZ8	~{n}4-ethyl-~{n}2,~{n}4-dimethyl-~{n}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
+C1[C@H]([C@@H]([C@H](C([C@@H]1O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O	HZB	(1~{r},3~{s},4~{r},5~{r})-5-[(2~{s},3~{r},4~{s},5~{r})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol
+C[C@@H]1CC[C@H]([C@H](C1)CN)C(C)C	HZC	[(1s,2s,5r)-5-methyl-2-propan-2-yl-cyclohexyl]methanamine
+C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]5[C@H]6[C@@H](CS5)NC(=O)N6	HZD	4-[(3-{2,16-dioxo-20-[(3ar,4r,6as)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium
+CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)F)N4CCNCC4	HZE	5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{h}-indole-2-carboxamide
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)c3ccccc3)C(=O)O	HZF	(3r,4r,5s)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid
+CC(=O)C[n+]1c2ccccc2sc1Cc3cc[n+](c4c3cccc4)C	HZG	1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium
+c1ccc(cc1)CCSCC(=O)C(F)(F)F	HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one
+C[C@]12CCc3c4ccc(cc4ccc3[C@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N	HZJ	(14beta,17beta)-estra-1(10),2,4,6,8-pentaene-3,17-diyl disulfamate
+c1cc2c(cc1N3CC[C@@](C3=O)(C(=O)NCc4cc(cc(c4)Cl)F)O)CCC(=O)N2	HZK	(3~{s})-~{n}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)pyrrolidine-3-carboxamide
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC/N=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	HZL	[(2s)-3-[2-[(e)-[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(z)-octadec-9-enoyl]oxy-propyl] (z)-octadec-9-enoate
+CN(C)CCCC(=O)Nc1cccc(c1)[C@@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	HZM	2-{(s)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+NN	HZN	hydrazine
+C1[C@@H](CN[C@@H]1C(=O)O)O	HZP	(4s)-4-hydroxy-l-proline
+c1cc2c(ccc(c2nc1)O)Cl	HZQ	5-chloranylquinolin-8-ol
+CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)c3ccccc3	HZR	1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one
+c1cc(sc1)S(=O)(=O)N(Cc2ccc(cc2)F)Cc3[nH]ncn3	HZT	~{n}-[(4-fluorophenyl)methyl]-~{n}-(1~{h}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@@H](CF)C(=O)O	HZU	(2s)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3-fluoropropanoic acid
+CN(C)CCCC(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	HZV	2-{(r)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCc3cc(cc(c3)Cl)F)O	HZW	(3~{s})-~{n}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide
+c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)[O-]	HZX	2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
+COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(ccc3c2)OS(=O)(=O)N	HZY	6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium
+CC(=CCC/C(=C\COP(=O)(O)O)/C)C	HZZ	[(2~{z})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O	I	inosinic acid
+COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	I01	(4r)-4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoic acid (3r)-3-[(pyridine-4-carbonyl)amino]-azepan-4-yl ester
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)c3nnc(o3)[C@@](C)(Cc4ccccc4)N	I02	3-{5-[(1r)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-n-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)OC[C@](Cc3ccccc3)(CO)N	I03	(2s)-2-amino-2-benzyl-3-hydroxypropyl 3-({[(1r)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate
+COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	I04	n-{(3r,4r)-4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoylamino]-azepan-3-yl}isonicotinamide
+COc1ccc(c(c1F)C(=O)c2ccc(cc2)CO[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	I05	(3r,4r)-n-{4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzyloxy]-azepan-3-yl}-isonicotinamide
+c1ccc(cc1)CCN2C(=O)c3ccccc3C(=O)N2	I06	2-phenethyl-2,3-dihydro-phthalazine-1,4-dione
+COc1ccc(c(c1F)C(=O)c2ccc(cc2)\C=C\[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	I08	(3r,4s)-n-(4-{trans-2-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-phenyl]-vinyl}-azepan-3-yl)-isonicotinamide
+CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2)Cl)(C#N)c3ccc(cc3)Cl	I09	(3r,4r,5s)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-n-[(3s)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-d-prolinamide
+CN1CCc2c(cccc2NC3=C(C(=O)N(N=C3)C)Cl)C1	I0D	4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{h}-isoquinolin-5-yl)amino]pyridazin-3-one
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)O	I0E	(2s)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid
+CN(C)c1ccc(cc1)/C=C(\C#N)/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	I0F	2-cyano-3-[4-(dimethylamino)phenyl]-~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide
+c1cc(ccc1[C@H]2[C@H]3CCC[C@H]3c4cc(ccc4O2)O)O	I0G	(3as,4r,9br)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
+C[NH+]1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)C[NH+]5CC[C@@H](C5)OCC(=O)O	I0M	2-[(3s)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid
+COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2ccccc2)Cc3ccc(cc3)Cl)/O	I0N	methyl (z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@H](CO1)N)O)O)/C)/C)/C)/C)/C)/C)/C)/C)C	I0O	4-amino-4-deoxy-1-o-[(s)-hydroxy{[(2e,6e,10z,14z,18z,22e,26e,30e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-l-arabinopyranose
+[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	I0P	d-myo inositol 1,4,5,6 tetrakisphosphate
+C[C@H](CC[NH+]1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)C[NH+]5CCC(CC5)CNC(=O)C)C(=O)[O-]	I0Q	(2r)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate
+CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3ccc(nc3)N4CC[NH+](CC4)CCOC)c5cc(cc(c5)Cl)Cl	I0T	n-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide
+CCNCCc1ccc(cc1)CN(CC)c2cc(ccc2[C@@H]3CCc4cc(ccc4C3)O)OC	I0V	(6r)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol
+CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3ccc(nc3)N4CC[NH+](CC4)CCC(=O)[O-])c5cc(cc(c5)Cl)Cl	I0W	3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate
+CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	I0X	nalpha-[(benzyloxy)carbonyl]-n-[(1s)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-l-phenylalaninamide
+CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	I0Y	nalpha-[(benzyloxy)carbonyl]-n-[(2s)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-l-phenylalaninamide
+CC(C)C[C@H](c1cccc(c1)c2ccccc2)C(=O)NC[C@H](CNS(=O)(=O)c3ccccn3)O	I10	1-[2-(3-biphenyl)-4-methylvaleryl)]amino-3-(2-pyridylsulfonyl)amino-2-propanone
+c1c[nH+]ccc1NCC[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)C3CCCCC3	I11	[[cyclohexanesulfonyl-glycyl]-3[pyridin-4-yl-aminomethyl]alanyl]piperidine
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2cc(on2)C	I12	n-[(5-methylisoxazol-3-yl)carbonyl]-l-alanyl-l-valyl-n~1~-((1s)-4-ethoxy-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide
+C/C(=N\OCCN)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl	I13	1-(2-{3-[(1e)-n-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea
+Cc1ccc(cc1C#Cc2cn(c3c2c(ncn3)N)CCOC)NC(=O)C	I14	n-(3-{[4-amino-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide
+Cc1c2c(ccc(c2Oc3cc(cc(c3)C#N)C#N)F)[nH]n1	I15	5-[(5-fluoro-3-methyl-1h-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
+c1cc(ccc1CN)c2c(nc(cn2)NCC3CCNCC3)c4ccc(cc4)c5ccoc5	I16	5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-n-[(piperidin-4-yl)methyl]pyrazin-2-amine
+c1ccc(cc1)CNc2c3c(nc(n2)NC4CCC(CC4)N)n(cn3)C5CCCC5	I17	2-[trans-(4-aminocyclohexyl)amino]-6-(benzyl-amino)-9-cyclopentylpurine
+CC1=N[C@H]([C@H](N1)c2ccc(cc2)Cl)c3ccc(cc3)Cl	I18	(4s,5r)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1h-imidazole
+Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)N4CC[C@@H](C4)N(C)C)F	I19	n-(4-{[(3s)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-amine
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)I)O)/C(=O)N1CC(=O)O)N)O	I1C	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CCC(=O)c1ccccc1	I1E	1-phenylpropan-1-one
+CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3cnc(nc3)N4CC[NH+](CC4)CCC(=O)[O-])c5cc(cc(c5)Cl)Cl	I1G	3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate
+COc1ccc(cc1OCCc2ccc(cc2Cl)Cl)C(=O)NCC3CCN(CC3)c4ccncc4	I1H	3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-n-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
+C(c1n[nH]nn1)C(=O)N[NH3+]	I1L	[2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium
+C1([C@@H]([C@@H](C(=O)[C@H]([C@@H]1O)O)O)O)O	I1N	(2s,3r,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexanone
+CN(C)CCCNS(=O)(=O)c1ccc(cc1)Nc2nccc(n2)c3cnc4n3nccc4	I1P	2-[4-(n-(3-dimethylaminopropyl)sulphamoyl)anilino]-
+c1ccc(cc1)C[C@@H](NC(=O)OCc2ccccc2)P(=O)(O)O	I1S	[(1s)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C[NH2+][C@H]2C[C@H](C[C@H]2C=O)C(=O)[O-])[O-]	I1T	(1s,3r,4s)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C	I1W	(1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxo(1-~2~h)pyrrolidin-3-yl]propan-2-yl}-3-{n-[tert-butyl(~2~h)carbamoyl]-3-methyl-l-(n-~2~h)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~h)carboxamide
+[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C	I1Z	(1r,2s,5s)-3-[n-(tert-butylcarbamoyl)-3-methyl-l-valyl]-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([C@H](C)NC(=O)CC[C@@H](C(=O)N2CCCC2C#N)N)O	I20	(2s)-2-({(2s)-3-[(r)-[(1r)-1-({(4s)-4-amino-5-[(2s)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid
+C[C@]1(Cc2cccc(c2)C=CC(=NC(=O)c3cc(cc(c3)c4ccccc4C#N)COC1=O)c5ccccc5)N	I21	2-[(5r)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile
+C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O	I22	d-altro-hept-2-ulose 7-phosphate
+Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C	I23	n-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
+CCCCOc1nc(c2c(n1)n(cn2)Cc3c(cccc3F)F)NCCN4CCOCC4	I24	2-butoxy-9-(2,6-difluorobenzyl)-n-(2-morpholin-4-ylethyl)-9h-purin-6-amine
+[H]/N=C(/c1ccc(cc1)N[C@H](c2cc(cc(c2)OCC(C)(C)CN(C)C)CC)C(=O)O)\N	I25	(2r)-({4-[amino(imino)methyl]phenyl}amino){3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethylphenyl}acetic acid
+[H]/N=C(/c1ccc(cc1)N[C@H](c2cc(cc(c2F)OCC(C)(C)CN(C)C)CC)C(=O)O)\N	I26	(2r)-[(4-carbamimidoylphenyl)amino]{3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethyl-2-fluorophenyl}ethanoic acid
+COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2cccc(c2)Cl)Cc3ccc(cc3)Cl)/O	I27	methyl (z)-4-[1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate
+CCOC(=O)c1c2c(ccc(c2CN3CCC(CC3)C)O)oc1c4ccccc4	I28	ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
+CC1=N[C@@]([C@@](N1C(=O)N2CCN(CC2)CCCS(=O)(=O)C)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl	I29	[(4s,5r)-4,5-bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1h-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone
+Cc1cc2c(cc1C)N3C=[N]2[Co]456(N7[C@@H]8[C@@H]([C@](C7=C(C9=[N]4C(=CC1=[N]5C(=C(C2=[N]6[C@@]8([C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]1/C=C/C(=O)N)(C)CC(=O)N)C([C@@H]9CCC(=O)N)(C)C)C)(CCC(=O)NC[C@H](OP(=O)(O[C@@H]1[C@H](O[C@H]3[C@@H]1O)CO)O)C)C)CC(=O)N)O	I2A	hydroxocobalamin
+Cc1c(nc(c(c1O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC=O	I2C	5'-o-[(s)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine
+c1cc2c(cc1CCC(=O)O)OCO2	I2E	3-(1,3-benzodioxol-5-yl)propanoic acid
+COc1cc(c2c(c1OC)O[C@H](C=C2)C3CC3)Cc4cnc(nc4N)N	I2H	5-{[(2s)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl}pyrimidine-2,4-diamine
+II	I2I	molecular iodine
+CCC(C)(C)[C@@H](C(=O)O)N	I2M	3-methyl-l-alloisoleucine
+Cc1ccc(cc1c2ccc3c(c2)NC(=O)C34CCCC4)C(=O)NC5CC5	I2O	n-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide
+[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	I2P	d-myo-inositol-2,4,5-triphosphate
+C1[C@@H](C[C@@H]([C@H]1CF)N)C(=O)O	I2V	(1s,3s,4s)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid
+C/C(=N\NC(=O)c1cc(ccc1O)Br)/c2[nH]c3ccccc3n2	I30	n'-[(1e)-1-(1h-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide
+CCOc1cc(ccc1C2=N[C@@]([C@@](N2)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(C)(C)C	I31	(4s,5r)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1h-imidazole
+CC(C)(C)NC[C@@H](COc1cccc2c1c(c([nH]2)C#N)I)O	I32	4-{[(2s)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1h-indole-2-carbonitrile
+c1cc2cc(sc2c(c1)Cl)C(=O)N[C@H]3CN4CCC3CC4	I33	7-chloro-n-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide
+Cc1cc(no1)NC(=O)Nc2cc(c(cc2OC)OC)Cl	I34	n-(5-chloro-2,4-dimethoxyphenyl)-n'-(5-methyl-3-isoxazolyl)-urea
+CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC	I35	[(2~{r})-2-butanoyloxy-3-[oxidanyl-[(2~{r},3~{r},5~{s},6~{r})-2,4,6-tris(oxidanyl)-3,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] butanoate
+c1cc(c(cc1C(=O)NC2(CCCCC2)C(=O)NCC#N)F)N	I37	4-amino-n-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide
+C[C@H](C(=O)O)NC(=O)CCS	I38	n-(3-mercaptopropanoyl)-d-alanine
+Cc1ccccc1c2c(c(cc[n+]2[O-])C(=O)c3ccc(cc3F)F)N	I39	[3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone
+c1ccc2c(c1)c(c[nH]2)C=O	I3A	1h-indole-3-carbaldehyde
+c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O	I3C	5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid
+CCc1ccc(cc1)C(=O)CC	I3E	1-(4-ethylphenyl)propan-1-one
+COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)nc(o4)Nc5ccc(cc5)Cl	I3K	n-(4-chlorophenyl)-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine
+I[I-]I	I3M	tri-iodode anion
+Cc1c(c2cc(ccc2n1Cc3ccccc3)OC)CC(=O)O	I3N	1-benzyl-5-methoxy-2-methyl-1h-indol-3-yl)-acetic acid
+[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	I3P	d-myo-inositol-1,4,5-triphosphate
+[C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	I3S	(1s,3s,4s)-1,3,4-triphospho-myo-inositol
+CC1=C(C(=O)NC(=O)N1)N	I3V	5-azanyl-6-methyl-1~{h}-pyrimidine-2,4-dione
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCc4cccc(c4)I	I40	9-(3-iodobenzylamino)-1,2,3,4-tetrahydroacridine
+COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@](Cc2ccccc2)CC(=O)O	I41	2-[[2-[[(2s)-3-(3h-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic acid
+O[V](=O)([O-])[O-]	I42	hydroxy(dioxido)oxovanadium
+CC1=C(N(C(=O)N=C1OC)C)C=C(CO)CO	I43	6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1h)-one
+Cc1ccc(cc1N2C(=CC(=C(C2=O)Br)OCc3ccc(cc3F)F)C)C(=O)NC	I45	3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2h)-yl}-n,4-dimethylbenzamide
+c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F	I46	2-fluoro-4-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]pyridine
+c1cc(ccc1c2c(c(n[nH]2)C3CCN(CC3)C(=O)CO)c4ccncn4)Cl	I47	2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1h-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol
+Cc1cc(cc(c1)OCCNc2cc[nH+]cc2)NS(=O)(=O)c3ccccc3	I48	n-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
+c1cc(cc(c1)C(=O)N)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCCC3	I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid
+CC(C)Cc1ccccc1	I4B	isobutylbenzene
+[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O	I4D	d-myo-inositol-4-phosphate
+CC(C)CNCC(=O)O	I4G	n-(2-methylpropyl)glycine
+C[C@@H]1[C@@H]([C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@H](OC1=O)C(C)C)C)NC(=O)c2c(cccn2)O)Cc3cccnc3)O	I4I	3-hydroxy-n-[(2r,5r,6s,9s,10s,11r)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCN(CC4)C(=O)C[C@](CC(=O)O)(C(=O)O)O	I4L	(2~{s})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
+C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O	I4P	(1s,3r,4r,6s)-1,3,4,6-tetrapkisphosphate
+CC1=NNC(=NC1=O)C	I4S	3,6-dimethyl-2~{h}-1,2,4-triazin-5-one
+CC(C)OC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	I4U	4-isopropyl, uridine-5'-monophosphate
+[H]/N=C(/N)\NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccc2)(F)F)Cl	I50	n-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide
+CC1=C(NC(=O)NC1=O)C=C(CO)CO	I51	6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+CCCCCc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N(CCN3CCOCC3)[C@H](C(C)C)C(=O)NO	I52	n-{4-[(1-hydroxycarbamoyl-2-methyl-propyl)-(2-morpholin-4-yl-ethyl)-sulfamoyl]-4-pentyl-benzamide
+c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc4c(n3CCO)cc(cc4Cl)Cl	I53	2-[2-[[3-(1~{h}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol
+CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3	I57	2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-d-galacto-non-2-en  onic acid
+[H]/N=C(/C)\NCC[C@H](C[C@@H](C(=O)O)N)F	I58	4r-fluoro-n6-ethanimidoyl-l-lysine
+c1ccc2c(c1)cccc2[C@@H](O)P(=O)(O)O	I59	hydroxy(1-naphthyl)methylphosphonic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CI)O)O	I5A	5'-deoxy-5'-iodocytidine
+CN1CCN(CC1)C(=O)c2c3cc(c(cc3[nH]n2)c4ccncc4)OC	I5B	(5-methoxy-6-pyridin-4-yl-1~{h}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)COP(=O)(O)O)O	I5C	5-iodo-2'-deoxy-cytidine-5'-monophosphate
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)NC(=O)N3	I5H	(5s)-5-(1h-indol-3-ylmethyl)imidazolidine-2,4-dione
+c1cc2c(cc1N=C=S)cc(o2)C3=NCCN3	I5I	2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1h-imidazole
+Cc1cc(cc(n1)C)c2cc3c(cc2C4CC4)c(n[nH]3)N[C@@H]5CCNC[C@H]5F	I5N	5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{n}-[(3~{r},4~{r})-3-fluoranylpiperidin-4-yl]-1~{h}-indazol-3-amine
+C1([C@@H]([C@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	I5P	inositol-(1,3,4,5,6)-pentakisphosphate
+c1ccc2c(c1)c(c[nH]2)C[C@@H]3C(=O)Nc4c(cccn4)N3	I5R	(2r)-2-(1h-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2h)-one
+c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl	I5S	isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide
+c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4	I5T	4-oxidanylidene-n-[(1s,2r)-2-phenylcyclopropyl]spiro[3h-chromene-2,4'-piperidine]-1'-carboxamide
+[H]/N=C(\c1cccs1)/Nc2cccc(c2)COC[C@@H](CN)OCc3cccc(c3)/N=C(\c4cccs4)/N	I5U	n',n'-{[(2r)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
+Cc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3	I5W	(~{e})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid
+C1CC1C2=NC(=O)NC(=O)C2	I5Z	6-cyclopropyl-5~{h}-pyrimidine-2,4-dione
+CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc2ccc(c(c2)OC)OC)c3cccc(c3)OCC(=O)O	I63	{3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
+CCOC(=O)c1c2c(ccc(c2CN3CCCC3)O)oc1c4ccccc4	I66	ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate
+CCc1c(c(nc(c1C#N)SCc2ccc(cc2)CNC(=O)CN)N3CCCN(CC3)C)C#N	I67	n-{[4-({[3,5-dicyano-4-ethyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]sulfanyl}methyl)phenyl]methyl}glycinamide
+COc1cc2cc[nH]c2cc1c3ccncc3	I6A	5-methoxy-6-pyridin-4-yl-1~{h}-indole
+Cc1c(nc2c(ccc(c2n1)O)OC)C	I6G	8-methoxy-2,3-dimethylquinoxalin-5-ol
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C(F)F)C(=O)O	I6J	(2s)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
+C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	I6P	inositol 1,2,3,4,5,6-hexakisphosphate
+CCC1=NC(=O)NC(=O)C1	I6R	6-ethyl-5~{h}-pyrimidine-2,4-dione
+CCOC(=O)c1ccc(nc1)c2ccc(cn2)C=O	I6W	ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate
+CCN1C=C(C=C(C1=O)C)[C@]2(c3cccc(c3C(=N2)N)F)c4cccc(c4)c5cc(cnc5)C#CC	I6X	5-{(1r)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1h-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1h)-one
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)N)O)C	I70	(1r,2s,5s)-n-{(2s,3r)-4-amino-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[n-(tert-butylcarbamoyl)-3-methyl-l-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@@H]4CCNC[C@H]4O	I73	(3s,4s)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
+CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@H]4CCNC[C@@H]4O	I74	(3r,4r)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
+CC(=O)c1ccc(c(c1)OC)O	I75	1-(4-hydroxy-3-methoxyphenyl)ethanone
+CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OCc5cccc(c5)Cl)c(ncn2)N	I76	3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc(ncc1C(=O)N)c2ccc(cn2)C(=O)NN	I77	5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide
+Cc1c(c2cc(ccc2s1)Cl)Cn3cc(c4c3cc(cc4)c5cc(cc(c5)N)N)CC(=O)O	I79	{1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1h-indol-3-yl}acetic acid
+c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N	I7A	4,5-dichlorobenzene-1,3-disulfonamide
+c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N	I7B	4-amino-6-chlorobenzene-1,3-disulfonamide
+c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F	I7C	4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
+CC(C)(C)c1ccccc1	I7E	tert-butylbenzene
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC(CC4)C(=O)O	I7K	1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC[C@H](C4)C(=O)N[C@@H](CC(=O)O)C(=O)O	I7N	n-[(3r)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-l-aspartic acid
+[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	I7P	(1r,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)I	I7T	7-iodotetracycline
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC[C@H](C4)C(=O)O	I7V	(3r)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
+COc1cccc(c1)CN2CCC(CC2)C(=O)N	I81	1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
+CNc1c2c(c([nH]n2)c3ccccc3)ncn1	I82	~{n}-methyl-3-phenyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+CN[Pt](N(C)C)(Cl)Cl	I83	bis(chloranyl)-(dimethylamino)-(methylamino)platinum
+Cc1ccccc1CC(=O)Nc2cc(c(c(c2)C)S(=O)(=O)NCC(=O)O)C	I84	[2,6-dimethyl-4-(2-o-tolyl-acetylamino)-benzenesulfonyl]-glycine
+c1cc(cc(c1)C(F)(F)F)C(=O)Nc2cc(ccn2)c3cc4c([nH]3)[C@]5(CCCNC5)CNC4=O	I85	n-{4-[(3s)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide
+C[C@H]1CN(CCO1)S(=O)(=O)N(C)C(C)C	I87	(2s)-n,2-dimethyl-n-(propan-2-yl)morpholine-4-sulfonamide
+CC1(CN(C1(C)C)C(=O)NCC2CC2)C	I8A	n-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide
+c1cc(ccc1C(=O)N2CCSCC2)Cl	I8D	(4-chlorophenyl)(thiomorpholin-4-yl)methanone
+c1cc(ccc1OCC(=O)N2CCCC2)F	I8G	2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one
+CC1(CC1)S(=O)(=O)N2CCC=C(C2)F	I8J	5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine
+c1ccc(c(c1)CN2CCOCC2)O	I8M	2-[(morpholin-4-yl)methyl]phenol
+Cc1ccc2c(c1)sc(n2)CCc3cc(c(c(c3)OC)OC)OC	I8N	6-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole
+[C@@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O	I8P	(1r,3s,4r,5s,6r)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)N)O)S(=O)(=O)O	I8Q	4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
+COc1ccc(cc1O)CCc2nc3cc(c(c(c3s2)OC)OC)OC	I8R	2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol
+c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)O)O	I8U	3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)N)S(=O)(=O)O	I8Y	3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
+c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)NCC(=O)O)O	I91	n-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine
+c1ccc(c(c1)C(=O)CC(=O)C(=O)O)Br	I92	4-(2-bromophenyl)-2,4-dioxobutanoic acid
+Cc1ccc(c(c1Cl)C(=O)CC(=O)C(=O)O)F	I93	4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid
+CC(C)c1ccccc1Nc2[nH]nc(n2)SCc3cccs3	I96	n-(2-isopropylphenyl)-3-[(2-thienylmethyl)thio]-1h-1,2,4-triazol-5-amine
+c1cc(c(cc1N)F)CNC(=O)c2ccc(cc2OCC(=O)O)Cl	I98	{2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
+c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCC[C@H](C4)C(=O)O)O	I99	(3r)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
+COC(=O)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c3ccccc3C2=O	I9C	methyl n-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate
+COC(=O)C[C@](CC(=O)N1CCN(CC1)S(=O)(=O)c2cc3c(cc2O)C(=O)c4ccccc4C3=O)(C(=O)OC)O	I9F	dimethyl (2r)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate
+C1CCc2c(c3c4c(c(nnn4)N5CCN(CC5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)sc3nc2N7CCOCC7)C1	I9G	8-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline
+CCN([C@H]1CN(N=C1c2ccc(cc2)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO	I9H	n-[3-(4-chlorophenyl)-1-{n'-cyano-n-[3-(difluoromethoxy)phenyl]carbamimidoyl}-4,5-dihydro-1h- pyrazol-4-yl]-n-ethyl-2-hydroxyacetamide
+c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCN(CC4)C(=O)C[C@@](CC(=O)O)(C(=O)O)O)O	I9K	(2r)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCNCC4	I9N	1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)NCCC(=O)O	I9Q	n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine
+C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)I	IA	2'-(3-iodophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+c1c(cc(c(c1c2c(c(c([nH]2)Cl)Cl)Cl)O)Cl)Cl	IA2	2,4-dichloro-6-(3,4,5-trichloro-1h-pyrrol-2yl)phenol
+COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2ccccc2F)Cc3ccc(cc3)Cl)/O	IA3	methyl (z)-4-(4-(4-chlorobenzyl)-1-(2-fluorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+CN(CCc1c[nH]c2c1cccc2)CCC3CCCCCC3	IA4	~{n}-(2-cycloheptylethyl)-2-(1~{h}-indol-3-yl)-~{n}-methyl-ethanamine
+COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2cccc(c2)Br)Cc3ccc(cc3)Cl)/O	IA5	methyl (z)-4-(1-(3-bromobenzyl)-4-(4-chlorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+CC(C)(C)c1nc(c2c(c(c(nc2n1)N)C#N)N)c3nccs3	IA7	5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile
+Cc1c(ccc(c1Cl)C(=O)Nc2cc(ccc2N3CCN(CC3)C)N(=O)=O)F	IA9	2-chloro-4-fluoro-3-methyl-n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
+C1C=CC=C\2C1=N/C(=C\3/C4=CC=CCC4=NC3=O)/C2=N/OCC(=O)O	IAA	({[(3e)-2'-oxo-2',7'-dihydro-2,3'-biindol-3(7h)-ylidene]amino}oxy)acetic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO	IAB	iso-acarbose
+c1ccc2c(c1)c(c[nH]2)CC(=O)O	IAC	1h-indol-3-ylacetic acid
+c1ccc2c(c1)c(c[nH]2)CC(=O)N[C@@H](CC(=O)O)C(=O)O	IAD	n-[1h-indol-3-yl-acetyl]aspartic acid
+c1ccc2c(c1)c(c[nH]2)CC(=O)NCC(=O)O	IAG	n-[1h-indol-3-yl-acetyl]glycine acid
+CC(C)NCc1ccc(cc1)C[C@@H](C(=O)O)N	IAM	4-[(isopropylamino)methyl]phenylalanine
+CO[C@@H](c1ccccc1)[P@@](=O)(O)OC	IAN	methyl hydrogen (r)-[(r)-methoxy(phenyl)methyl]phosphonate
+B(c1cccc(c1)NC(=O)CI)(O)O	IAP	4-iodo-acetamido phenylboronic acid
+Cc1ccccc1Nc2c3cncn3c4cc(c(cc4n2)F)N(C)C(=O)/C=C\CN(C)C	IAQ	(2z)-4-(dimethylamino)-n-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-n-methylbut-2-enamide
+[H]/N=C(\CCCN/C(=N/[H])/N)/C(=O)O	IAR	(2e)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid
+C([C@@H](C(=O)O)N)C(=O)O	IAS	beta-l-aspartic acid
+CC(C)[C@@H](C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2	IAV	n-[1h-indol-3-yl-acetyl]valine acid
+C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(c(c6)I)OC	IB	2'-(3-iodo-4-methoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+COc1cc(c(c(c1)F)C(=O)c2ccnc(n2)Nc3ccc(cc3)C#N)F	IB1	4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@](=O)(O)O[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)O)O)N	IB2	p1-p2-methylene-p3-thio-diadenosine triphosphate
+Cc1ccc(cc1)[C@H](CCC(=O)N(C)O)P(=O)(O)O	IB3	[(1s)-4-[hydroxy(methyl)amino]-1-(4-methylphenyl)-4-oxobutyl]phosphonic acid
+CC(C)(C)c1cc(n[nH]1)NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3	IB5	~{n}-(5-~{tert}-butyl-1~{h}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide
+CN(C)CC[N@@](C)[C@@H]1Cn2c3cc(ccc3c(c2-c4ccccc4OC1)C5CCCCC5)C(=O)O	IB8	(7r)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6h-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid
+CCC(CC)Nc1cc(ccc1N2C(=O)CC[C@@]2(CN)CO)C(=O)O	IBA	4-[(2r)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid
+c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C6NCCN6)O	IBB	5-(2-imidazolinyl)-2-[2-(4-hydroxyphenyl)-5-benzimidazolyl]benzimidazole
+C1CC=C(c2c(onc2O)C1)C[C@@H](C(=O)O)N	IBC	3-(3-hydroxy-7,8-dihydro-6h-cyclohepta[d]isoxazol-4-yl)-l-alanine
+CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN(CC)CC	IBD	2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide
+c1(c(c(c(c(c1F)F)I)F)F)F	IBF	1,2,3,4,5-pentafluoro-6-iodobenzene
+c1ccc(c(c1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)I	IBG	gamma-glutamyl[s-(2-iodobenzyl)cysteinyl]glycine
+Cc1csc(n1)[C@@](C)(C2=NN/C(=N/C(=O)Cc3c(cccc3F)F)/S2)O	IBH	(nz)-2-[2,6-bis(fluoranyl)phenyl]-n-[5-[(1s)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3h-1,3,4-thiadiazol-2-ylidene]ethanamide
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C(C)C)Nc3ccc(cc3OC)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)C	IBI	n-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7r)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide
+CC(C)CNC(=O)COCc1cc(on1)c2cccs2	IBK	n-isobutyl-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide
+CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C	IBM	3-isobutyl-1-methylxanthine
+CC(C)CN	IBN	2-methylpropan-1-amine
+CC(C)C(=O)N	IBO	2-methylpropanamide
+CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O	IBP	ibuprofen
+CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)I)O	IBQ	iodo-bedaquiline
+c1cc(c(cc1N)C=O)CC(=O)OCCBr	IBR	(2-bromoethyl)(2-'formyl-4'-aminophenyl) acetate
+C(C(=O)CO[P@](=O)(O)OC1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O	IBS	l-alpha-glycerophospho-d-myo-inositol-4,5-bis-phosphate
+CC(C)COC(=O)O	IBU	2-methylpropyl hydrogen carbonate
+c1ccc(c(c1)CS)I	IBZ	2-iodobenzylthio group
+C1=CN(C(=NC1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	IC	isocytidine-5'-monophosphate
+COc1cc(c(c(c1)OC)\C=C\2/c3ccccc3NC2=O)OC	IC1	3-[(2,4,6-trimethoxy-phenyl)-methylene]-indolin-2-one
+c1cc(c(cc1C(F)(F)F)[N+](=O)O)n2c(c(cn2)C#N)N	IC3	[2-(5-amino-4-cyano-1h-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCCn2ccnc2	IC6	(2s)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid
+Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4cnc5c4ncnc5N	IC8	2-[(6-amino-9h-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one
+Cc1ccc(cc1)CS(=O)(=O)CNC	IC9	n-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine
+C([C@@H]([C@H](C(=O)O)O[Ca])C(=O)O)C(=O)O	ICA	isocitrate calcium complex
+c1ccc2c(c1)cc([nH]2)C(=O)O	ICB	1h-indole-2-carboxylic acid
+C1CCC(=O)NCC1	ICC	azepan-2-one
+Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)[N@]2C)O	ICD	4-hydroxy-2-methyl-n-(5-methyl-1,2-oxazol-3-yl)-2h-1,2-benzothiazine-3-carboxamide 1,1-dioxide
+C12345[Fe]6[S]7[Fe]18S[Fe]29[S]1[Fe]3[S]2[Fe]4([S]9[Mo]12)S[Fe]51[S]6[Fe]7[S]81	ICE	iron-sulfur-molybdenum cluster with interstitial carbon
+[C@H](C(F)(F)F)(OC(F)F)Cl	ICF	1-chloro-2,2,2-trifluoroethyl difluoromethyl ether
+C12345[Fe@]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)[Se][Fe]52[S]8[Mo]9[S]12	ICG	iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated
+C12345[Fe]67[S]8[Fe]19[S]1[Fe]8[S]6[Fe]21[Se][Fe]31[S]2[Fe]4([Se]7)[S]3[Fe]5([S]1[Mo]32)[Se]9	ICH	iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated
+C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O	ICI	isocitric acid
+CCCC[C@@H](C[C@H](C(C)C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	ICJ	(1r,3s,5z)-5-[(2e)-2-{(1r,3as,7ar)-1-[(1r,2s,4r)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4h-inden-4-yli dene}ethylidene]-4-methylidenecyclohexane-1,3-diol
+CC(C)[C@@H](C(=O)Nc1cccc(c1C=O)Cl)NC(=O)OC(C)(C)C	ICL	[1-(3-chloro-2-formyl-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester
+CC(C)[C@@](C)(C#N)O	ICN	(s)-2-hydroxy-2,3-dimethylbutanenitrile
+c1ccc2c(c1)c(c[nH]2)C(=O)O	ICO	1h-indole-3-carboxylic acid
+CC1=NC(=N)C(=C)C=N1	ICP	2-methyl-5-methylene-5h-pyrimidin-4-ylideneamine
+[H]/N=C\1/[C@@H](N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O	ICR	(4r)-5-imino-1-(5-o-phosphono-beta-d-ribofuranosyl)-4,5-dihydro-1h-imidazole-4-carboxylic acid
+C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12	ICS	iron-sulfur-molybdenum cluster with interstitial carbon
+C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O	ICT	isocitric acid
+CC(=O)O[C@H](c1ccc(cc1C(=O)O)N)C(=O)OC	ICU	methyl(2-acetoxy-2-(2-carboxy-4-amino-phenyl))acetate
+COC(=O)CNC(=O)CCC\C=C/NC(=O)c1ccc(cc1)Cc2ccc(cc2)I	ICX	methyl n-[(5z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-5-enoyl]glycinate
+c1ccc(c(c1)CSC[C@@H](C(=O)O)N)I	ICY	s-(2-iodobenzyl)-l-cysteine
+C12345[Fe]6[S]7[Fe]1[S]8[Fe]7[S]6[Fe]28S[Fe]39[S]1[Fe]4[S]2[Fe]5[S]9[Mo]21	ICZ	iron-sulfur-molybdenum cluster with interstitial carbon
+CNC(=O)c1c2c([nH]n1)CCCC2	ID0	n-methyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxamide
+C[C@H]([C@@H](C=O)[C@H]1C[C@H](C(=N1)C(=O)O)SCC/N=C\N)O	ID1	 imipenem
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O	ID2	5-iododeoxyuridine
+CC1=C(C(CCC1)(C)C)/C=C/C(=O)C	ID3	(3e)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
+c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)CC3CCCCC3	ID4	4-[4-(cyclohexylmethyl)-1h-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide
+c1cc(c(cc1F)OCC(=O)O)C(=O)NCc2nc3c(c(cc(c3s2)F)F)F	ID5	[5-fluoro-2-({[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]amino}carbonyl)phenoxy]acetic acid
+CCOC1=CC=CC(=O)c2c1c(n(c2C)Cc3ccc(cc3)Cl)C	ID6	2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2h)-one
+Cc1cccc(c1C)Nc2ccccc2C(=O)O	ID8	2-[(2,3-dimethylphenyl)amino]benzoic acid
+CCCc1cc2cc([nH]c2c(c1)CC(=O)O)CC(=O)N	IDA	(2-carbamoylmethyl-5-propyl-octahydro-indol-7-yl)acetic acid
+c1c(c(c(c(c1I)NC(=O)CCCCC(=O)Nc2c(cc(c(c2I)C(=O)O)I)I)I)C(=O)O)I	IDB	3-[5-[(3-carboxy-2,4,6-triiodo-phenyl)carbamoyl]pentanoylamino]-2,4,6-triiodo-benzoic acid
+c1cn2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	IDC	(5r,6r,7r,8s)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-d-glucopyranoside
+c1ccc(cc1)c2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O	IDD	(5r,6r,7s,8s)-5-(hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
+c1ccc(cc1)NCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O	IDE	(5r,6r,7s,8s)-3-(anilinomethyl)-5,6,7,8-tetrahydro-5-(hydroxymethyl)-imidazo[1,2-a]pyridine-6,7,8-triol
+[C@H]1([C@H]([C@@H](O[C@]([C@H]1O)(C(=O)O)F)F)O)O	IDF	5-fluoro-alpha-l-idopyranosyluronic acid fluoride
+C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N	IDG	2,6-diamino-2,6-dideoxy-beta-l-idopyranose
+C1[C@@H](C(=O)NC(=O)N1)I	IDH	(5s)-5-iododihydro-2,4(1h,3h)-pyrimidinedione
+c1cc2c(cc1I)CNCC2	IDI	7-iodo-1,2,3,4-tetrahydro-isoquinoline
+C1[C@@H]([C@H]([C@@H]([C@@H](N1)C(=O)O)O)O)O	IDJ	(2r,3r,4r,5s)-3,4,5-trihydroxypiperidine-2-carboxylic acid
+c1cc(cc(c1)NS(=O)(=O)CC2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5	IDK	n-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1h-indazol-3-yl]cyclopropanecarboxamide
+c1ccn2c(c1)ncc2CC(=O)O	IDL	imidazo[1,2-a]pyridin-3-ylacetic acid
+c1ccc2c(c1)CCN2	IDM	indoline
+Cn1cc(c2c1cccc2)CN(C)C(=O)\C=C\c3cc4c(nc3)NC(=O)CC4	IDN	(e)-n-methyl-n-(1-methyl-1h-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-[1,8]naphthyridin-3-yl)-acrylamide
+[I-]	IDO	iodo group
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N=CNC2=O	IDP	inosine-5'-diphosphate
+CCCCc1nc2c(n1Cc3ccc(cc3)CN)c4ccccc4nc2N	IDQ	1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O	IDR	alpha-l-idopyranuronic acid
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O	IDS	2-o-sulfo-alpha-l-idopyranuronic acid
+[C@H]1([C@H](C(=C(O[C@H]1O)C(=O)O)O)O)O	IDT	4,5-dehydro-l-iduronic acid
+[C@@H]1([C@H]([C@@H](O[C@@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O	IDU	2-o-sulfo-beta-l-altropyranuronic acid
+CN(C)S(=O)(=O)Nc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)C4CC4	IDV	n-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1h-indazol-3-yl)cyclopropanecarboxamide
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@H]1OS(=O)(=O)O)O)C(=O)O)O)O	IDX	2-o-sulfo-alpha-l-gulopyranuronic acid
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)OS(=O)(=O)O	IDY	1-o-methyl-2-o-sulfo-alpha-l-idopyranuronic acid
+c1ccc2c(c1)c(n[nH]2)c3[nH]c4ccccc4n3	IDZ	3-(1h-benzimidazol-2-yl)-1h-indazole
+Cc1ccc-2c(n1)SCc3c2n(nc3)c4ccc(cc4)S(=O)(=O)N	IE2	4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4h)-yl)benzenesulfonamide
+c1cc-2c(cnc2[nH]c1)c3ccc(s3)S(=O)(=O)NCCN	IE4	n-(2-aminoethyl)-5-{1h-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide
+Cc1cc2c(ccnc2[nH]1)c3ccc(s3)S(=O)(=O)NCCN	IE6	n-(2-aminoethyl)-5-{2-methyl-1h-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide
+c1ccc(cc1)[C@H](CN)Oc2cc(c(nc2)c3ccoc3)c4c[nH]c5c4cccn5	IE8	5-[(1r)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1h-pyrrolo[2,3-b]pyridin-3-yl}pyridine
+Cc1ccc(cc1)CNc2cc(nc(n2)N)Cl	IEE	6-chloro-4-n-[(4-methylphenyl)methyl]pyrimidine- 2,4-diamine
+CC(C)O[P@](=O)(CCCCCCCCCCCC=C)F	IEF	propan-2-yl (r)-tridec-12-en-1-ylphosphonofluoridate
+Cc1ccccc1S(=O)(=O)N	IEJ	o-toluenesulfonamide
+[H]/N=C(/C)\NCCCC[C@@H](C(=O)O)N	IEL	n~6~-[(1z)-ethanimidoyl]-l-lysine
+CC(C)CO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C	IEM	2-methylpropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid
+c1cc(c2c(c[nH]c2c1C(=O)N)C#N)OC3CCNCC3	IEO	3-cyano-4-(piperidin-4-yloxy)-1h-indole-7-carboxamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC	IEP	[(2~{s})-1-octadecanoyloxy-3-[oxidanyl-[(1~{r},2~{r},3~{s},4~{s},5~{s},6~{s})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)NC(=O)CCCCCCC(=O)NO)NC(=O)OC(C)C	IES	propan-2-yl n-[(2s,4r)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2h-quinolin-4-yl]carbamate
+c1cc(c(c(c1)Cl)CC(=N)NC(=S)Nc2ccc(cc2)C#N)Cl	IET	1-(4-cyano-phenyl)-3-[2-(2,6-dichloro-phenyl)-1-imino-ethyl]-thiourea
+c1cc(ccc1CC2C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O	IEY	{5-hydroxy-4-(4-hydroxybenzyl)-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-1h-imidazol-1-yl}acetic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C2C[C@H](C[C@H]2C(=C(F)F)C(F)(F)F)C(=O)O)O	IF1	(1s,3s,4s)-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid
+CNc1c2c(nc(n1)NC)n(cn2)C	IF3	~{n}2,~{n}6,9-trimethylpurine-2,6-diamine
+[H].C(CCCCN=[N+]=[N-])CCCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O	IF6	(1r,2s,3r,4s,5s,6r)-7-(8-azidooctyl)-3,4,5-trihydroxy-
+C1[C@@H]([C@@H]([C@@H](C(=O)N1)O)O)CO	IF7	(3s,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one
+COC(=O)CCNC(=O)c1cc(cc(c1O)I)c2ccc(cc2F)F	IFA	methyl n-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alaninate
+c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)NCCC(=O)O	IFB	n-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alanine
+Cc1ccc(cc1NC(=O)c2ccno2)NC(=O)c3cc(cc(c3)n4cc(nc4)C)C(F)(F)F	IFC	n-[2-methyl-5-({[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-5-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](CN1)CO)O)O	IFG	(2r,3r,4s,5r)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine
+C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO	IFL	(3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one
+C1[C@@H]([C@H]([C@@H](CN1)O)O)CO	IFM	5-hydroxymethyl-3,4-dihydroxypiperidine
+C=C1C=NC(=NC1=N)C(F)(F)F	IFP	2-trifluoromethyl-5-methylene-5h-pyrimidin-4-ylideneamine
+CC(C)OP(=O)(c1ccccc1CS)OC(C)C	IFS	bis(1-methylethyl) [2-(sulfanylmethyl)phenyl]phosphonate
+CNc1c2c(c([nH]n2)Br)ncn1	IFZ	3-bromanyl-~{n}-methyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	IG	isoguanosine-5'-monophosphate
+c1c([nH]cn1)[C@@H]([C@H](COP(=O)(O)O)O)O	IG2	(2s,3s)-2,3-dihydroxy-3-(1h-imidazol-5-yl)propyl dihydrogen phosphate
+c1[nH]c2c(n1)NC(=O)N=C2N	IGA	6-amino-3,7-dihydro-2h-purin-2-one
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)NC(=O)CCCCCCC)O	IGC	n-[(1s,2r,3e)-1-({[alpha-d-galactopyranosyl-(1->3)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}methyl)-2-h ydroxyheptadec-3-en-1-yl]octanamide
+Cc1cc(c(s1)C)S(=O)(=O)NC	IGF	n,2,5-trimethyl-3-thiophenesulfonamide
+c1ccc2c(c1)CC(C2)[C@H](C(=O)O)N	IGL	alpha-amino-2-indanacetic acid
+c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)O	IGM	2,4-bis(chloranyl)-n-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4h-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide
+C1CCC(CC1)C[C@H](C(=O)N2CCCC[C@H]2C(=O)NCCCNC(=N)N)NCC(=O)O	IGN	{[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid
+c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O	IGP	indole-3-glycerol phosphate
+CC1=C(C(=O)N(C(=O)N1)C)N	IGT	5-azanyl-3,6-dimethyl-1h-pyrimidine-2,4-dione
+C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O	IGU	2'-deoxyisoguanine-5'-monophosphate
+COC1=CC(=O)NC(=O)N1	IGX	6-methoxy-1h-pyrimidine-2,4-dione
+c1cc(ccc1S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)C(=N)N)Br	IH1	2-[2-(4-bromo-benzenesulfonyl)-ethyl]-1-3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide
+[H]/N=C(\C1CCC(CC1)CNC(=O)[C@@H]2C=C(CN3N2C(=O)N(C3=O)CC(c4ccccc4)c5ccccc5)C)/N	IH2	2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo [1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide
+CC1=C[C@H](N2C(=O)N(C(=O)N2C1)CC(c3ccccc3)c4ccccc4)C(=O)NC5CCC(CC5)c6cnc([nH]6)N	IH3	2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4] triazolo[1,2-a]pyridazine-5-carboxylic acid [4-(2-amino-3h-imidazol-4-yl)-cyclohexyl]-amide
+CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)CC(=O)OC)C4CCN(CC4)Cc5[nH]ccn5	IH4	n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)
+CC(C)c1cc(ccc1O)Oc2c(cc(cc2Cl)CC(=O)O)Cl	IH5	{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid
+CC#CCOc1ccc(cc1)S(=O)(=O)[N@@]2CCSC([C@@H]2C(=O)NO)(C)C	IH6	(3s)-4-{[4-(but-2-ynyloxy)phenyl]sulfonyl}-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
+c1cc(cc(c1)O)CNCCS(=O)(=O)O	IH9	2-[(3-hydroxybenzyl)amino]ethanesulfonic acid
+COc1cccc(c1c2cnnc(n2)NCc3nc4cc(ccc4s3)OCC(=O)O)OC	IHA	{[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid
+c1cc(c(cc1C(=O)O)I)O	IHB	3-iodo-4-hydroxybenzoic acid
+c1cc(c(c(c1)Cl)c2cnnc(n2)NCc3nc4cc(ccc4s3)OCC(=O)O)Cl	IHC	{[2-({[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid
+CCCCCCCCCCCCCCCCI	IHD	1-iodohexadecane
+CN1CCN(CC1)CCn2cnc3c2nc(nc3NC4CCCCC4)C#N	IHE	6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9h-purine-2-carbonitrile
+CCC1=C(C(=O)NC(=O)N1)N	IHF	5-azanyl-6-ethyl-1h-pyrimidine-2,4-dione
+CC(C)NC(=N)NO	IHG	n-isopropyl-n'-hydroxyguanidine
+c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)CC#N)Nc4cc([nH]n4)C5CC5	IHH	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile
+c1ccc(c(c1)Nc2c3c(nc(n2)C#N)n(cn3)C4CCCC4)OCCCn5ccnc5	IHI	9-cyclopentyl-6-[2-(3-imidazol-1-yl-propoxy)-phenylamino]-9h-purine-2-carbonitrile
+CN1CCN(CC1)CCCOc2ccccc2Nc3c4c(nc(n3)C#N)n(cn4)C5CCCC5	IHJ	9-cyclopentyl-6-{2-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenylamino}-9h-purine-2-carbonitrile
+CC(=O)Nc1cccc(c1)c2ccn(n2)[C@@H](Cc3cc[n+](cc3)[O-])c4ccc(c(c4)OCC5CC5)OC(F)F	IHM	n-(3-{1-[(1s)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-4-yl)ethyl]-1h-pyrazol-3-yl}phenyl)acetamide
+C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	IHP	inositol hexakisphosphate
+CCCCCCCC1=C(C(=O)c2ccccc2N1O)I	IHQ	2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one
+Cc1c2c(c(ncn2)NC3CC3)n[nH]1	IHR	~{n}-cyclopropyl-3-methyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	IHS	d-myo-inositol-hexasulphate
+COc1ccc(cc1NC(=O)NC(=O)c2ccc(cc2Cl)F)O	IHU	n-(2-chloro-4-fluorobenzoyl)-n'-(5-hydroxy-2-methoxyphenyl)urea
+CN1CCN(CC1)c2cnc3cc(cc(c3n2)c4cccc(c4)O)C(F)(F)F	IHX	3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
+Cc1ccc(cc1Nc2cc(cnc2)C(=O)N)C(=O)Nc3cccc(c3)C(F)(F)F	IHZ	5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide
+c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N	II2	5-amino-2-{4-[(4-aminophenyl)sulfanyl]phenyl}-1h-isoindole-1,3(2h)-dione
+Cc1cccc(c1)n2cnc3c2ccc(c3)N	II4	1-(3-methylphenyl)-1h-benzimidazol-5-amine
+C[C@@H]1C[C@@H](C[C@@H](C1)CO)CN	II6	[(1r,3s,5r)-3-(aminomethyl)-5-methyl-cyclohexyl]methanol
+CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)c5ccc(s5)Cl	IIA	1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide
+Cc1cccc2c1n(c(c2C#N)C(=O)NC3CCN(CC3)C(C)C)Cc4cc(on4)c5ccc(s5)Cl	IIB	1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-3-cyano-n-(1-isopropylpiperidin-4-yl)-7-methyl-1h-indole-2-carboxamide
+c1c([nH]cn1)CC2=NC(N(C2=O)CC(=O)O)[C@H](CO)N	IIC	4-imidazolmethylene-5-imidazolone chromophore
+CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cccc(c4)OC	IID	n-(1-isopropylpiperidin-4-yl)-1-(3-methoxybenzyl)-1h-indole-2-carboxamide
+CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2CC(=O)Nc4ccc(cc4)Cl	IIE	1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide
+C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(C4CC4)O)(C(F)(F)F)O	IIG	n-cyclopropyl-n-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
+c1cc2c(c(c1)Cl)oc(n2)c3cc(c(c(c3)I)O)I	IIH	4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol
+CN(C)c1c2ccccc2nc(n1)N3CCCC3	III	~{n},~{n}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine
+CC[C@@H](C)[C@@H](C(=O)O)N	IIL	iso-isoleucine
+CN1C(=O)c2ccccc2[C@]1(c3ccccc3)N	IIN	2-methyl-3-amino-3-phenylisoindol-1-one
+Cn1ccnc1C(=O)Nc2cn(c(n2)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C	IIP	imidazole-pyrrole polyamide
+Cc1cccc(c1)CNCCS(=O)(=O)O	IJ1	2-[(3-methylbenzyl)amino]ethanesulfonic acid
+c1cc(oc1)CNCCS(=O)(=O)O	IJ2	2-[(furan-2-ylmethyl)amino]ethanesulfonic acid
+Cc1cc(ccc1F)CNCCS(=O)(=O)O	IJ4	2-[(4-fluoro-3-methylbenzyl)amino]ethanesulfonic acid
+C1CCC(CC1)CNCCS(=O)(=O)O	IJ6	2-[(cyclohexylmethyl)amino]ethanesulfonic acid
+COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CCP(=O)(O)O	IJE	{2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid
+C1(=C(NC(=O)NC1=O)C(=O)O)N	IJZ	5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N	IK1	5-phenyl-2-ureidothiophene-3-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O	IK2	4'-deoxy-4'-acetylyamino-pyridoxal-5'-phosphate
+c1cc(ccc1COc2ccc3ccc(cc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)C#N	IK4	n-({7-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid
+CN(C)Cc1nccn1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4ccc5c(c4)c(no5)N)C(F)(F)F	IK8	1-(3-amino-1,2-benzisoxazol-5-yl)-n-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl) -1h-pyrazole-5-carboxamide
+c1cc2c(cc1CC3=Nc4cc(cc(c4C5=NC(=N)NN35)NCCO)F)OCO2	IK9	2-{[(2z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol
+C1C=C[C@H]2[C@@H](N1)[C@@H]3C(=O)N[C@H]([C@@]3(O2)CC(=O)O)C(=O)O	IKM	(4as,5ar,6r,8as,8bs)-5a-(carboxymethyl)-8-oxo-2,4a,5a,6,7,8,8a,8b-octahydro-1h-pyrrolo[3',4':4,5]furo[3,2-b]pyridine-6-carboxylic acid
+Cc1cc(c(cc1I)C)OCc2ccccc2/C(=N\OC)/C(=O)OC	IKR	methyl (2e)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate
+C[C@@H]([C@@H](CCCCCC(=O)O)CC(=O)O)N	IKT	3-(1-aminoethyl)nonanedioic acid
+c1c(cc(nc1C(=O)O)C(=O)O)N2C=C(NN2)CCO	IKX	4-(4-(2-hydroxyethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid
+c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F	IKY	n-hydroxy-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
+CC[C@H](C)[C@@H](C(O)O)N	IL0	(2s,3s)-2-amino-3-methylpentane-1,1-diol
+CC#CC[C@@H](C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O	IL2	(5e)-5-[(3as,4r,5r,6as)-5-hydroxy-4-[(1e,3s,4r)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1h)-ylidene]pentanoic acid
+CC#CCOc1ccc(cc1)CNS(=O)(=O)N	IL3	1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene
+c1cc2c(cc1S(=O)(=O)N)S(=O)(=O)NC2=O	IL5	3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide
+CC[C@H](C)[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	ILA	n-[isoleucinyl]-n'-[adenosyl]-diaminosufone
+c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O)F	ILB	2-({[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopent-1-ene-1-carboxylic acid
+COc1cccc(c1)c2ccc(c(c2)F)NC(=O)c3ccsc3C(=O)O	ILC	3-{[(3-fluoro-3'-methoxybiphenyl-4-yl)amino]carbonyl}thiophene-2-carboxylic acid
+CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@](O2)(CC)[C@H](C)O)C)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C	ILD	(4r,5s)-3-[(2r)-2-{(2s,2'r,4s,5s,5'r)-2,5'-diethyl-5'-[(1s)-1-hydroxyethyl]-4-methyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
+CC[C@H](C)[C@@H](C(=O)O)N	ILE	isoleucine
+CC[C@H](C)[C@@H](C(=O)[O-])[NH-]	ILE_LEO2	l-isoleucine c-terminal deprotonated fragment
+CC[C@H](C)[C@@H](C(=O)O)[NH-]	ILE_LEO2H	l-isoleucine c-terminal protonated fragment
+CC[C@H](C)[C@@H](C(=O)O)N	ILE_LFOH	l-isoleucine free neutral
+CC[C@H](C)[C@@H](C(=O)[O-])[NH3+]	ILE_LFZW	l-isoleucine free zwitterion
+CC[C@H](C)[C@@H]([C-]=O)[NH-]	ILE_LL	l-isoleucine - linking embedded fragment
+CC[C@H](C)[C@@H]([C-]=O)[NH3+]	ILE_LSN3	l-isoleucine n-terminal protonated fragment
+c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)c3ccsc3C(=O)O)F	ILF	3-({[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)thiophene-2-carboxylic acid
+C(C[C@@H](C(=O)O)[NH3+])C=O	ILG	glutamyl group
+c1cc(cc(c1)OC(F)(F)F)c2c(c(c(c(c2F)F)NC(=O)C3=C(CC=C3)C(=O)O)F)F	ILH	2-({[2,3,5,6-tetrafluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopenta-1,3-diene-1-carboxylic acid
+C[C@@H]1C=C[C@@H]([C@H](CN1S(=O)(=O)c2ccccn2)O)NC(=O)[C@H](CC(C)C)NC(=O)c3cc4ccccc4o3	ILI	n-[(1s)-1-({[(3s,4s,7r)-3-hydroxy-7-methyl-1-(pyridin-2-ylsulfonyl)-2,3,4,7-tetrahydro-1h-azepin-4-yl]amino}carbonyl)-3-methylbutyl]-1-benzofuran-2-carboxamide
+c1cc2c(cc1Cl)C(=CC(=O)N2)CN	ILL	4-(aminomethyl)-6-chloroquinolin-2(1h)-one
+CC[C@H](C)[C@@H](C(=O)OC)N	ILM	methyl l-isoleucinate
+CC(=N)NCCC[C@@H](C(=O)O)N	ILO	n5-iminoethyl-l-ornithine
+CC[C@H](C)[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	ILP	n-[o-phosphono-pyridoxyl]-isoleucine
+[H]/N=C(\CCNC(=O)c1cc(cn1C)NC(=O)c2nc(cn2C)NC(=O)CN/C(=N/[H])/N)/N	ILT	monoimidazole lexitropsin
+CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3)N1C)CO	ILV	(2s,5s)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one
+C[C@@H]([C@H](CO)O)[C@@H](C(=O)O)N	ILX	4,5-dihydroxyisoleucine
+CC(C)NCCCC[C@@H](C(=O)O)N	ILY	n~6~-propan-2-yl-l-lysine
+CC(C)[C@@H](c1[nH]ccn1)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	IM1	(2r,4s,5s,1's)-2-phenylmethyl-4-hydroxy-5-(tert-butoxycarbonyl)amino-6-phenyl hexanoyl-n-(1'-imidazo-2-yl)-2'-methylpropanamide
+[H]/N=C/NCCSC1=C(N[C@H](C1)[C@H](C=O)[C@@H](C)O)C(=O)O	IM2	(5r)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-3-[(2-{[(e)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1h-pyrrole-2-carbox ylic acid
+[H]/N=C(\Cc1ccc(c(c1)O)O)/C(=O)O	IM3	(2e)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid
+c1cc(ncc1CN\2CCN/C2=N\[N+](=O)[O-])Cl	IM4	(2e)-1-[(6-chloropyridin-3-yl)methyl]-n-nitroimidazolidin-2-imine
+c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO	IM5	2-amino-7-{[(3r,4r)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4	IM6	4-tert-butyl-n-[6-(1h-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide
+CC1(c2c(c3cc(ccc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	IM7	(5as,12as,13as)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+CC[C@H](CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C	IM8	2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1r)-1-(hydroxymethyl)propyl]acetamide
+Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)N4CCN(CC4)C(=O)CO	IM9	2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol
+C[N+](C)(C)c1ccc(cc1)CNC(=O)c2cc3cc(ccc3n2Cc4cccc(c4)C(=N)N)OCc5ccccc5	IMA	[4-({[5-benzyloxy-1-(3-carbamimidoyl-benzyl)-1h-indole-2-carbonyl]-amino}-methyl)-phenyl]-trimethyl-ammonium
+c1ccc2c(c1)ccnc2NC(P(=O)(O)O)P(=O)(O)O	IMB	[(isoquinolin-1-ylamino)-phosphono-methyl]-phosphonic acid
+CC1=CN(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	IMC	n1-[2-deoxy-ribofuranosyl]-[2-amino-5-methyl-4-oxo-4h-pyrimidine]-5'-monophosphate
+c1c[nH+]c[nH]1	IMD	imidazole
+c1cn(cn1)[Cu](n2ccnc2)(n3ccnc3)(n4ccnc4)([OH2])[OH2]	IME	tetra(imidazole)diaquacopper (ii)
+C1=C[N](=CN1)[Cu+]([N]2=CNC=C2)([N]3=CNC=C3)([N]4=CNC=C4)([OH2])[OH2]	IMF	tetra(imidazole)diaquacopper (i)
+c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O	IMG	1,4-dideoxy-1,4-imino-1-(s)-(9-deazaguanin-9-yl)-d-ribitol
+c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O	IMH	1,4-dideoxy-4-aza-1-(s)-(9-deazahypoxanthin-9-yl)-d-ribitol
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2	IMI	2-iminobiotin
+Cc1c(c2ccccc2n1C)CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)CC4	IMJ	(2e)-n-[(1,2-dimethyl-1h-indol-3-yl)methyl]-n-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
+Cc1ccc2c(c1)nc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	IMK	2-(beta-d-glucopyranosyl)-5-methyl-1-benzimidazole
+CC[C@H](C)[C@@H](C(=O)O)NC	IML	n-methyl-isoleucine
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)I)OC)CC(=O)O	IMM	1-(4-iodobenzoyl)-5-methoxy-2-methyl indole-3-acetic acid
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O	IMN	indomethacin
+c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	IMO	6-o-phosphoryl inosine monophosphate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O	IMP	inosinic acid
+c1cc2cccnc2c(c1)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O	IMQ	(2r,3r,4s)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol
+C1[C@@H]([C@@H]([C@H](N1)CO)O)O	IMR	iminoribitol
+CC[C@@H](CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C	IMS	2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1s)-1-(hydroxymethyl)propyl]acetamide
+Cn1cc(nc1C(=O)O)N	IMT	4-amino-(1-methylimidazole)-2-carboxylic acid
+c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O	IMU	phosphoric acid mono-[5-(2-amino-4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-pyrrolidin-2-ylmethyl] ester
+c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4	IMV	5-[(2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
+CC1=CC(=O)C(=CC1=O)C(C)C	IMW	2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione
+c1ccc2c(c1)C[C@H]([C@@H]2CC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F	IMX	[(1r,2r)-2-{[(5-fluoro-1h-indol-2-yl)carbonyl]amino}-2,3-dihydro-1h-inden-1-yl]acetic acid
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNCC3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC	IMY	1-{[4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1h-imidazol-1-yl]carbonyl}piperazine
+CCOc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CCO)c4ccc(cc4)Br)c5ccc(cc5)Br)OC	IMZ	cis-[4,5-bis-(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
+[In+3]	IN	indium (iii) ion
+CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc4c3cccc4)Cl	IN0	n-{2-[trans-7-chloro-1-(2,2-dimethyl-propyl) -5-naphthalen-1-yl-2-oxo-1,2,3,5-tetrahydro-benzo[e] [1,4]oxazepin-3-yl]-acetyl}-aspartic acid
+CCC(=O)OCC(CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(O)O	IN1	4-(beta-d-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate
+CN(C)C(=O)NN(CCCCN)C(=O)O	IN2	n,n-dimethylcarbamoyl-alpha-azalysine
+CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)c1cccc(c1)OCc2ccccc2)NC(=O)OCc3ccccc3	IN3	1-(n-benzyloxycarbonyl-l-leucinyl)-5-(3-benzyloxy benzoyl)carbohydrazide
+[H]/N=C(\c1cccc(c1)[C@@H](CCc2ccc(cc2)C(=N)N)CC(=O)OC)/N	IN4	+/-methyl 4-(aminoiminomethyl)-beta-[3- inh (aminoimino)phenyl]benzene pentanoate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)P(=O)(O)O)O	IN5	{1-[(3-hydroxy-methyl-5-phosphonooxy-methyl-pyridin-4-ylmethyl)-amino]-ethyl}-phosphonic acid
+CC(C)C[C@@H](c1nc(cs1)C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3	IN6	n-[2-[1-(n-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-n'-(benzyloxycarbonyl-l-leucinyl)hydrazide
+c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)NCC(=O)O	IN7	[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-acetic acid
+c1ccc(cc1)COC(=O)N[C@H](CC(=O)Nc2nnc(s2)S)c3ccccc3	IN8	[2-(5-mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester
+CNC(=O)[C@H](Cc1c(c(c(c(c1F)F)F)F)F)NC(=O)Nc2nnc(s2)S	IN9	2-[3-(5-mercapto-[1,3,4]thiadiazol-2yl)-ureido]-n-methyl-3-pentafluorophenyl-propionamide
+CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2	INA	1,5-bis(n-benzyloxycarbonyl-l-leucinyl)carbohydrazide
+CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCCSC)NC(=O)C	INB	1-octadecyl-2-acetamido-2-deoxy-sn-glycerol-3-phosphoethylmethyl sulfide
+CC(C)C[C@H](C(=O)OC)N(C(=O)C)O	INC	2-(acetyl-hydroxy-amino)-4-methyl-pentanoic acid methyl ester
+c1ccc2c(c1)cc[nH]2	IND	indole
+c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br	INE	3-bromo-7-nitroindazole
+c1ccc(cc1)C[C@H](C(=O)O)NC(=O)NO	INF	d-[(n-hydroxyamino)carbonyl]phenylalanine
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)N	ING	d-[(amino)carbonyl]phenylalanine
+C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2	INH	n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)glycyl-l-arginine-n-phenylamide
+C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-]	INI	5-nitro-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione
+C(CCc1c(nc(nc1O)O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O	INJ	5-(6-d-ribitylamino-2,4-dihydroxypyrimidin-5-yl)-1-pentyl-phosphonic acid
+CC[C@H](COc1ccccc1)O[P@](=O)(C)Cl	INK	(rp,sp)-o-(2r)-(1-phenoxybut-2-yl)-methylphosphonic acid chloride
+COc1cccc(c1)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4	INL	6-[n-(3-methoxy-phenyl)-3-(morpholin-4-ylmethyl)-2h-thieno[3,2-e]-1,2-thiazine-1,1,-dioxide]-sulfonamide
+COCCC[N@]1C=C(c2cc(sc2S1(=O)=O)S(=O)(=O)N)N	INM	4-amino-6-[n-(3-methoxylpropyl)-2h-thieno[3,2-e][1,2]thiazine 1,1-dioxide]-sulfonamide
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C	INN	n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-l-valyl-n-(2-aminoethyl)-l-alaninamide
+c1c[n+](c(cc1C(=O)O)O)[O-]	INO	2-hydroxyisonicotinic acid n-oxide
+CC(C)C[C@@H](C[N@]1C[C@H](C(=O)C1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccncc2)NC(=O)OCc3ccccc3	INP	4-[[n-[(phenylmethoxy)carbonyl]-/nl/n-leucyl]amino]-1[(2s)-2-[[[4-(pyridinylmethoxy)carbonyl]amino]-4-methylpent/nyl]-3-pyrrolidinone/n
+c1cc(cc(c1)O)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4	INQ	6-[n-(3-hydroxy-phenyl)-3-(morpholin-4-ylmethyl)-2h-thieno[3,2-e]-1,2-thiazine-1,1,-dioxide]-sulfonamide
+c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/N2	INR	2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid
+C1(C(C(C(C(C1O)O)O)O)O)O	INS	1,2,3,4,5,6-hexahydroxy-cyclohexane
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H](C)NC(=O)OCc2ccccc2	INT	[[phenylmethyloxy-carbonyl]-alaninyl]-valinyl-[phenyl-1-hydroxyprop-2-yl]-amine
+c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)[C@H](C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O	INU	n-(3-cyclopropyl(5,6,7,8,9,10-hexahydro-2-oxo-2h-cycloocta[b]pyran-3-yl)methyl)phenylbenzensulfonamide
+c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F	INV	4-(aminosulfonyl)-n-[(4-fluorophenyl)methyl]-benzamide
+c1cc(ccc1C(=O)NCc2ccc(cc2F)F)S(=O)(=O)N	INW	4-(aminosulfonyl)-n-[(2,4-difluorophenyl)methyl]-benzamide
+CCCCCNC(=O)[C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)O	INX	2-(carboxymethoxy)-5-[(2s)-2-({(2s)-2-[(3-carboxypropanoyl)amino] -3-phenylpropanoyl}amino)-3-oxo-3-(pentylamino)propyl]benzoic acid
+CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl	INY	carpropamide
+CCCCCNC(=O)[C@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)O	INZ	2-{4-[(2s)-2-[({[(1s)-1-carboxy-2-phenylethyl]amino}carbonyl)amino]-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid
+c1ccc(cc1)COc2ccc(cc2)CC(=O)O	IO2	2-(4-phenylmethoxyphenyl)ethanoic acid
+CC[C@@H](Cc1c(cc(c(c1I)O)I)I)C(=O)O	IO3	iophenoxic acid
+CCc1c(c(nc(c1C#N)S[C@@H](c2ccccc2)C(=O)N)N3CCCN(CC3)CCO)C#N	IO5	(2s)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide
+c1cc(ccc1C(=O)NCc2cc(ccc2F)F)S(=O)(=O)N	IOA	4-(aminosulfonyl)-n-[(2,5-difluorophenyl)methyl]-benzamide
+c1cc(cc(c1)I)CO	IOB	3-iodo-benzyl alcohol
+c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O)N	IOC	4-(aminosulfonyl)-n-[(2,3,4-trifluorophenyl)methyl]-benzamide
+[I-]	IOD	iodide ion
+c1cc(ccc1C(=O)NCc2c(cc(cc2F)F)F)S(=O)(=O)N	IOE	4-(aminosulfonyl)-n-[(2,4,6-trifluorophenyl)methyl]-benzamide
+c1cc(ccc1C(=O)NCc2cc(c(c(c2)F)F)F)S(=O)(=O)N	IOF	4-(aminosulfonyl)-n-[(3,4,5-trifluorophenyl)methyl]-benzamide
+C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccc(cc3[nH]c2c4ccccc4)OCCN5CCCCC5	IOG	n-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1h-indol-3-yl]acetamide
+CC(C)O	IOH	2-propanol, isopropanol
+C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4ccccc4	IOK	n-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-(2-phenyl-1h-indol-3-yl)acetamide
+c1cc(ccc1O)I	IOL	4-iodophenol
+CN(CC(=O)O)C(N)N	IOM	(diaminomethyl-methyl-amino)-acetic acid
+C[C@H]1CCCC2=CC[C@@H](C[C@]12C)C(=C)C	ION	aristolochene
+c1cc(c(cc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F)F	IOO	 n7-(3,4-difluorobenzyl) guanosine 5'-monophosphate
+c1ccc2c(c1)c(c[nH]2)CCC(=O)O	IOP	indolylpropionic acid
+C[C@@H]1C(=O)N=C(N1)NCCC[C@@H](C(=O)O)N	IOR	n~5~-[(5r)-5-methyl-4-oxo-4,5-dihydro-1h-imidazol-2-yl]-l-ornithine
+c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O	IOS	3-sulfooxy-1h-indole
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CN[C@@H](CCCNC(=N)N)C(=O)O)O)O)N	IOT	arginine-n-methylcarbonyl phosphoric acid 5'-adenosine ester
+c1ccc(cc1)CS(=O)(=O)O	IOX	phenylmethanesulfonic acid
+c1cc(ccc1C[C@H](C(=O)O)N)I	IOY	p-iodo-d-phenylalanine
+CC(C)c1ccccc1O	IP0	2-(1-methylethyl)phenol
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C	IP1	isopenicillin n
+[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O	IP2	d-myo-inositol-4,5-bisphosphate
+CC(C)CCO	IP3	1-hydroxy-3-methylbutane
+CC1(CCC(=O)N1C)C	IP4	1-methyl-2-oxy-5,5-dimethyl pyrrolidine
+C1([C@@H]([C@@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	IP5	(1r,2s,3r,4s,5s,6r)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]
+c1cc(cc(c1)c2ccc3cc[nH]c3c2)CNc4cccnc4N	IP6	n~3~-[3-(1h-indol-6-yl)benzyl]pyridine-2,3-diamine
+c1ccnc(c1)COc2ccc(cc2CNc3cccnc3N)c4ccc5cc[nH]c5c4	IP7	n~3~-[5-(1h-indol-6-yl)-2-(pyridin-2-ylmethoxy)benzyl]pyridine-2,3-diamine
+CC(=C)CCOP(=O)(O)O	IP8	isopentenyl phosphate
+CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC	IP9	(2r)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate
+CC(C)O	IPA	isopropyl alcohol
+Cc1ccc(c(c1)O)C(C)C	IPB	5-methyl-2-(1-methylethyl)phenol
+Cc1ccc(cc1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C	IPC	3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
+[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O	IPD	d-myo-inositol-1-phosphate
+CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O	IPE	3-methylbut-3-enyl trihydrogen diphosphate
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)C)O)O)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)C	IPF	n-acetyltryptophyl-n~1~-{3-[1-(n-acetyltryptophylvalyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}valinamide
+CC(C)NCC(=O)O	IPG	n-isopropyl glycine
+c1ccc(cc1)O	IPH	phenol
+CC(C)CCP(=O)(O)O	IPI	3-methylbutylphosphonic acid
+c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O	IPJ	4-hydroxy-chalcone
+c1ccc(cc1)CC2CCN(CC2)C(=O)c3ccc(cc3)CSc4[nH]c5cnccc5n4	IPK	2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3h-imidazo[4,5-c]pyridine
+c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O	IPL	indole-3-propanol phosphate
+CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O	IPM	3-isopropylmalic acid
+C1=C(C(=O)NC(=O)N1CC(=O)N(CC[NH3+])CC(=O)O)I	IPN	2-aminoethylglycine-carbonylmethylene-5-iodouracil
+c1cc(ccc1C[C@H](C(=O)NO)N)I	IPO	para-iodo-d-phenylalanine hydroxamic acid
+c1cc(ccc1CC(=O)NC[P@H](=O)O)I	IPP	(p-iodophenylacetylamino)methylphosphinic acid
+CC(C)CCO[P@@](=O)(O)OP(=O)(O)O	IPR	isopentyl pyrophosphate
+OP(=O)([O-])[O-]	IPS	inorganic phosphate group
+CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	IPT	1-methylethyl 1-thio-beta-d-galactopyranoside
+CC(C)SC(=N)N	IPU	s-isopropyl-isothiourea
+Cc1ccc(cc1N(C)c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)CO	IPV	[4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol
+c1cc(ccc1C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl	IPW	(4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]methanone
+c1ccc2c(c1)C[C@H]([C@@H]2CCCC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F	IPX	4-[(1r,2r)-2-{[(5-fluoro-1h-indol-2-yl)carbonyl]amino}-2,3-dihydro-1h-inden-1-yl]butanoic acid
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCC[NH+](C)C	IPY	imidazole-pyrrole polyamide
+CC(C)c1c(nccn1)OC	IPZ	2-isopropyl-3-methoxypyrazine
+C1CCC(C1)C(=O)O	IQ0	cyclopentanecarboxylic acid
+CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4ccncc4	IQ1	3-(2-tert-butyl-5-(pyridin-4-yl)-1h-imidazol-4-yl)quinoline
+Cc1cc2c(cc1NC(=O)C)nc(s2)N	IQ5	n-(2-azanyl-6-methyl-1,3-benzothiazol-5-yl)ethanamide
+c1cc2c(c[nH]c2nc1)c3cc(nc(c3)Cl)NC4CCCCC4	IQ6	6-chloro-n-cyclohexyl-4-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
+COCCNC(=O)c1ccc2c(c1)nc(n2CCOC)c3cnc([nH]3)c4ccc(cc4)Cl	IQ7	2-(2-(4-chlorophenyl)-1h-imidazol-5-yl)-n,1-bis(2-methoxyethyl)-1h-benzo[d]imidazole-5-carboxamide
+c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O	IQA	(5-oxo-5,6-dihydro-indolo[1,2-a]quinazolin-7-yl)-acetic acid
+c1cc2cnccc2c(c1)S(=O)(=O)NCCNC\C=C\c3ccc(cc3)Br	IQB	n-[2-(4-bromocinnamylamino)ethyl]-5-isoquinoline sulfonamide
+c1cc2c(c(c1)O)CC=NC2=O	IQD	5-hydroxyisoquinolin-1(4h)-one
+Cn1c2cc(c3c(c2nc1N)cccn3)NC4=Nc5c(ncn5[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)C(=O)N4	IQG	n-(2-amino-3-methyl-3h-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate)
+COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OC	IQK	n,n'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide)
+[H]/N=C(/c1ncccn1)\NC	IQL	n-methylpyrimidine-2-carboximidamide
+c1ccc(cc1)c2c(nc3cc4c(cc3n2)nc[nH]4)c5ccc(cc5)CN6CCC(CC6)N7c8ccccc8NC7=O	IQO	1-(1-(4-(7-phenyl-1h-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1h-benzo[d]imidazol-2(3h)-one
+C[C@H]1CNCC[N@]1S(=O)(=O)c2cccc3c2ccnc3	IQP	1-(5-isoquinolinesulfonyl)-2-methylpiperazine
+c1cc(cc(c1)C(=O)O)c2cccc(c2)O	IQQ	3-(3-hydroxyphenyl)benzoic acid
+CNCCNS(=O)(=O)c1cccc2c1ccnc2	IQS	n-[2-(methylamino)ethyl]-5-isoquinolinesulfonamide
+c1cc2cnccc2c(c1)S(=O)(=O)NCCN	IQU	n-(2-aminoethyl)isoquinoline-5-sulfonamide
+Cc1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N	IQW	5-(p-tolyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+Cc1c(sc(n1)NC(=O)C)c2cc(c(nc2)F)NS(=O)(=O)c3c(nc(s3)C)C	IQX	n-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
+c1ccc2c(c1)c3c([nH]2)[C@@H]4CCCC[N@]4CC3=O	IQZ	(12bs)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7(6h)-one
+[Ir+4]	IR	iridium ion
+c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(nn4)N=NC5=O	IR1	5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3h-pyrazolo[3,4-c]pyridazin-3-one
+c1ccc2c(c1)c(ccn2)c3ccc4c(c3)C(=O)N(C=N4)c5ccc(cc5)N6CCOCC6	IR2	3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one
+[Ir+3]	IR3	iridium (iii) ion
+CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4ccccn4	IR4	1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone
+CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4CO	IR5	1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone
+CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4S(=O)(=O)C	IR6	1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone
+C([C@@H]1[C@H]([C@H]([C@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O	IR8	[(2r,3s,4r,5r)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]
+C([C@H]1[C@H]([C@H]([C@@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O	IR9	[(2s,3r,4s,5s)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]
+COc1ccc(cc1CC(=O)O)Br	IRA	(5-bromo-2-methoxyphenyl)acetic acid
+c1cc\2c(c(c1)Br)NC(=O)/C2=C\3/C(=N/O)/c4cc(ccc4N3)C(=O)O	IRB	(2z,3e)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid
+CC(C)C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	IRC	s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2r)-2-hydroxy-4-methyl-pentanethioate
+COc1cc2c(cc1OCCCN3CCOCC3)/C(=N/c4ccc(c(c4)Cl)F)/N=CN2	IRE	gefitinib
+Cc1cc2c(cc1I)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	IRF	1-deoxy-1-(8-iodo-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-d-ribitol
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N	IRG	n~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
+COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O	IRH	isorhamnetin
+[NH3][Ir+3]([NH3])([NH3])([NH3])([NH3])[NH3]	IRI	iridium hexammine ion
+CCC[C@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	IRK	(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2s)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+Cc1cc(cc(c1)C(=O)N(C)[C@@H](Cc2ccc(cc2)c3ccccc3)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)O)C	IRL	(2r)-2-({(2s)-3-(biphenyl-4-yl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1h-indol-3-yl)propanoic acid (non-preferred name)
+c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	IRN	1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole
+C1(=C(NC(=O)NC1=O)C(=O)O)I	IRO	5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O	IRP	(1s)-1(9-deazahypoxanthin-9yl)1,4-dideoxy-1,4-imino-d-ribitol-5-phosphate
+CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O	IRR	n-{(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucinamide
+CC(=C)CN	IRS	2-methylprop-2-en-1-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@H]2c3ccc(cc3)OC	IRW	(1s,2s)-1-hydroxy-2-{[n-({[(1r,2r)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)\C=C\c3ccc[n+](c3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O	IS1	3-[(1e)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-d-ribofuranosylpyridinium
+CCc1ccc(cc1)NC(=O)P(=O)(O)O	IS2	[(4-ethylphenyl)amino]carbonylphosphonic acid
+CC(C)CCO[P@@](=O)(O)O[P@](=O)(O)S	IS3	isopentenyl diphosphate beta-s
+Cc1ccc2c(c1)CC(=O)N2C	IS7	1,5-dimethyl-3~{h}-indol-2-one
+C(=N)=S	IS8	isothiocyanate
+c1cc(ccc1C[C@@H](C(=O)O)S)I	ISA	3-(4-iodo-phenyl)-2-mercapto-propionic acid
+CC(C)C(=O)O	ISB	isobutyric acid
+C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O	ISC	(5s,6s)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
+C([C@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O	ISD	isoascorbic acid
+[C@H]1([C@H](C(=O)[C@H]([C@@H](C1O)O)O)O)O	ISE	(2r,3s,4s,5r,6s)-2,3,4,5,6-pentahydroxycyclohexanone
+C[C@@H](c1ccc(cc1)C(=O)c2ccc(s2)I)C(=O)O	ISF	p-(2'-iodo-5'-thenoyl)hydrotropic acid
+CN(C)CCCn1c2c(ccc3c2C[C@@H](O3)CN(C)C)nc1N	ISH	(7r)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1h-furo[3,2-e]benzimidazol-2-amine
+CN(C)CCCn1c2c(ccc3c2C[C@H](O3)CN(C)C)nc1N	ISI	(7s)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1h-furo[3,2-e]benzimidazol-2-amine
+C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O	ISJ	(3r,4r)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O)O)O	ISL	6-o-alpha-d-glucopyranosyl-d-fructose
+COC(=O)Cc1ccc(cc1C(=O)O)N	ISM	5-amino-2-(2-methoxy-2-oxoethyl)benzoic acid
+c1ccc2c(c1)C(=O)C(=O)N2	ISN	isatin
+CC(C)c1ccc(cc1)N	ISO	para-isopropylaniline
+CC(C)OP(=O)(O)O	ISP	phosphorylisopropane
+c1ccc2cnccc2c1	ISQ	isoquinoline
+C(CO)C(=O)CN\C=C\C=O	ISS	(2e)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal
+CC[C@H](C)[C@H]([C@H](CC(=O)O)O)N	IST	isostatine
+[H]/N=C(/N)\[Se]CC	ISU	se-ethyl-isoselenourea
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe@@]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7C2)C=C)C)CCC(=O)O)C	ISW	{3,3'-[(9s)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~]dipropanoato(2-)}iron
+C1[C@@H]([C@H]([C@@H](CN1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CO	ISX	(3r,4r,5r)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-d-glucopyranoside
+CC(=C)CCS[P@@](=O)(O)OP(=O)(O)O	ISY	3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid
+[H]/N=N/C(=O)c1ccncc1	ISZ	4-(diazenylcarbonyl)pyridine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCC[C@@H](C(=O)O)N)O	IT1	(2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
+C1COCCN1C(=S)S	IT2	morpholine-4-carbodithioic acid
+CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O	IT3	(1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+c1ccc(cc1)C2(CCN(CC2)C(=S)S)C#N	IT5	4-cyano-4-phenylpiperidine-1-carbodithioic acid
+CC1=CC(=O)[C@H](CC1)C(=C)C	IT9	(-)-isopiperitenone
+c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)OCC(=O)O	ITA	{4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]isothiazol-2(1h)-yl}acetic acid
+c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)O	ITB	2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]isothiazole-4-carboxylic acid 3,3-dioxide
+C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C(=O)N)O)N(C)C	ITC	iso-7-chlortetracycline
+CC1(CN2C(=CSC2=N1)CS/C(=N\C3CCCCC3)/NC4CCCCC4)C	ITD	(6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl n,n'-dicyclohexylimidothiocarbamate
+CNc1[nH]c2cc3c(cc2n1)N=CNC3=O	ITE	2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S(=O)(=O)O	ITG	(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+c1ccc(cc1)CC(=O)Nc2cccc(c2)c3c(n4ccsc4n3)c5ccnc(n5)Nc6ccc(cc6)N7CCOCC7	ITI	n-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)NC(=O)CC[C@@H](C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)C)C	ITL	(3alpha,5alpha,8alpha)-3-[(n,n-bis{2-[bis(carboxymethyl)amino]ethyl}-l-gamma-glutamyl)amino]cholan-24-oic acid
+C([C@@H]([C@H](C(=O)O)O[Mg])C(=O)O)C(=O)O	ITM	isocitric acid-magnesium complex
+C=C(CC(=O)O)C(=O)O	ITN	2-methylidenebutanedioic acid
+C1([C@@H]([C@H](C([C@H]([C@@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O	ITP	phosphoric acid mono-(2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexyl) ester
+C[C@@]12[C@@H]([C@@H](CC(O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)CCCC4)NC)OC	ITQ	1,2,3,4-tetrahydrogen staurosporine
+c1ccc2c(c1)c(c[nH]2)CC(=N)C(=O)O	ITR	imino-tryptophan
+[C@@H]1(C([C@@H]([C@H](C([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O	ITS	inositol 1,3,4,5-tetrakisphosphate
+c1nc2c(c(n1)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O	ITT	inosine 5'-triphosphate
+CCSC(=N)N	ITU	ethylisothiourea
+C=C(Cc1c[nH]c2c1cccc2)C(=O)O	ITW	2-[(1h-indol-3-yl)methyl]prop-2-enoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@H]2c3ccc(cc3)OC	ITX	(1r,2s)-1-hydroxy-2-{[n-({[(1r,2r)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CCCCCC#CCC#CCC#CCC#CCCCC(=O)O	ITY	icosa-5,8,11,14-tetraynoic acid
+CC[C@H](C)[C@@H](c1nc(cs1)C(=O)O)N	ITZ	2-[(1s,2s)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)I	IU	5-iodouridine-5'-monophosphate
+Cc1cc(c(n1c2ccc(cc2)F)C)C(=O)CN3CCCC3	IU1	1-[1-(4-fluorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C	IU5	iso-ursodeoxycholic acid
+CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O	IU6	6-ethyl-iso-ursodeoxycholic acid
+CCC[C@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O	IUB	(1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2s)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+c1ccc(c(c1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O)[N+](=O)O	IUG	1-(2-nitrophenyl)ethyl udp-galactose
+CN1CC2=C([C@H](NC(=O)N2c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C(=O)N1	IUL	4-[(4r)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile
+[O-][U+4][O-]	IUM	uranyl (vi) ion
+C12=NC(=O)N[C@]1(C(=O)NC(=O)N2)OO	IUP	5-(hydro)peroxoisourate
+C1=C(C(=O)NC(=O)N1)I	IUR	5-iodouracil
+c1cc(c(cc1N/C(=N/O)/c2c(non2)N)Cl)F	IUU	4-amino-n-(3-chloro-4-fluorophenyl)-n'-hydroxy-1,2,5-oxadiazole-3-carboxamidine
+CCOC(=O)C1=C(N(c2[nH]cc[n+]2[C@@H]1c3ccc(cc3)C#N)c4cccc(c4)C(F)(F)F)C	IUY	ethyl (5r)-5-(4-cyanophenyl)-7-methyl-8-[3-(trifluoromethyl)phenyl]-1,5-dihydroimidazo[1,2-a]pyrimidin-4-ium-6-carboxylate
+Cc1c(ccc2c1nc(s2)N)Cl	IV2	5-chloranyl-4-methyl-1,3-benzothiazol-2-amine
+Cc1c-2c(n(n1)C)CN(C(=O)c3ccc(cc3[C@H](Oc4cc2cnc4N)C)F)C	IV7	(10r)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro-1h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one
+CC(C)CC(=O)O	IVA	isovaleric acid
+CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	IVC	isovaleryl-coenzyme a
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)CI	IVF	n-(iodoacetyl)-l-valyl-l-phenylalaninamide
+CCCCSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	IVH	2-(butylsulfanyl)adenosine
+c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)CC(F)(F)F)Cl	IVK	(3r,4r)-n-(4-chlorophenyl)-n'-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3,4-dicarboxamide
+C[N+]1(CCCC1)CCCC(=O)O	IVL	1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium
+CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C	IVM	(2ae,4e,5's,6s,6'r,7s,8e,11r,13r,15s,17ar,20r,20ar,20bs)-6'-[(2s)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2h,7h-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-o-(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)-3-o-methyl-alpha-l-arabino-hexopyranoside
+CCOC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	IVS	3-hydroxy-6-methyl-4-(3-methyl-2-(3-methyl-2-(3-methyl-butyrylamino)-butyrylamino)-butyrylamino)-heptanoic acid ethyl ester
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)NC)C	IVU	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{2-[4-methyl-6-(methylamino)pyridin-2-yl]ethyl}benzonitrile
+CCOC(=O)C[P@](=O)([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	IVV	n-(3-methylbutanoyl)-l-valyl-n-{(1r)-1-[(r)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-l-valinamide
+c1cc(c(c(c1)Cl)/C=C/c2cc(c(c(c2)Br)O)Br)Cl	IW1	2,6-dibromo-4-[(e)-2-(2,6-dichlorophenyl)ethenyl]phenol
+c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl	IW2	2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol
+c1cc(ccc1/C=C/c2cc(c(c(c2)Br)O)Br)N	IW3	4-[(e)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol
+c1cc(cc(c1)N)/C=C/c2cc(c(c(c2)Br)N)Br	IW4	4-[(e)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline
+c1cc(ccc1/C=C/c2cc(c(c(c2)Br)N)Br)N	IW5	4-[(e)-2-(4-aminophenyl)ethenyl]-2,6-dibromoaniline
+COc1cccc(c1/C=C/c2cc(c(c(c2)Br)N)Br)OC	IW6	2,6-dibromo-4-[(e)-2-(2,6-dimethoxyphenyl)ethenyl]aniline
+CCCCCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N	IW7	2-(pentylsulfamoyl)-4-sulfamoylbenzoic acid
+CCN(c1cccc(c1)C)C(=O)C2CCN(CC2)S(=O)(=O)c3cc4c(ccn4C(=O)C)cc3Br	IW8	1-[(1-acetyl-5-bromo-1h-indol-6-yl)sulfonyl]-n-ethyl-n-(3-methylphenyl)piperidine-4-carboxamide
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I	IWD	2-amino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
+Cc1ccc(c(c1)C)CN2C=C(C=CC2=O)C(=O)N	IWH	1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
+c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F	IWP	5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1h-pyrazol-3-yl}pyrimidin-4-ol
+c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6	IWR	4-[(3ar,4s,7r,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide
+c1ccc(cc1)c2nnc(o2)S	IWT	5-phenyl-1,3,4-oxadiazole-2-thiol
+B(c1ccc(c(c1)Cl)/C=C/c2ccc(cc2Cl)B(O)O)(O)O	IWW	[(e)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic acid
+c1cc(ccc1c2ccc(c(c2)NC(=O)C3CCOCC3)N)F	IWX	n-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide
+COC(=O)c1c(cccc1OC\C=C\c2cccc(c2)c3c(c(no3)C(=O)O)CO)O	IX1	5-(3-{3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid
+Cc1c(nc(o1)C)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCC(=C)C)S(=O)(=O)CC(C4)(C)C)O	IX6	(11s)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide
+c1ccc(cc1)C[C@@H](C(=O)NCCCCN=C(N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O	IXA	n-[(2s)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide
+C1=C(O[C@H]([C@@H]([C@@H]1O)OS(=O)(=O)O)O)C(=O)O	IXD	4-deoxy-2-o-sulfo-beta-d-erythro-hex-4-enopyranuronic acid
+CN(c1cc(c(c(c1)F)F)F)c2cc3c(nc(nc3nc2)N)N	IXE	n~6~-methyl-n~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
+CC(C)c1ccc(cc1)N(C)c2cc3c(nc(nc3nc2)N)N	IXF	n~6~-methyl-n~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
+CN(c1ccccc1)c2cc3c(nc(nc3nc2)N)N	IXG	n~6~-methyl-n~6~-phenylpyrido[2,3-d]pyrimidine-2,4,6-triamine
+C[C@H]1CN(C[C@H](N1)C)c2ccc(cc2)Nc3ncc4c(n3)N(C=C(C4=O)C(=O)N)c5ccc6c(c5)CCC6	IXH	8-(2,3-dihydro-1h-inden-5-yl)-2-({4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
+c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2	IXM	(z)-1h,1'h-[2,3']biindolylidene-3,2'-dione-3-oxime
+CCCCCCCCCCCCc1cn(nn1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)c5ccccc5O)O)O)N	IXN	2-(4-dodecyl-1h-1,2,3-triazol-1-yl)-5'-o-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine
+C[N+](C)(C)CC#CCOC1=NOCC1	IXO	4-(4,5-dihydro-1,2-oxazol-3-yloxy)-n,n,n-trimethylbut-2-yn-1-aminium
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNC(=O)CCC(=O)O[C@@H]4c5cc6c(cc5[C@@H]([C@H]7[C@H]4COC7=O)c8cc(c(c(c8)OC)OC)OC)OCO6	IXP	(5s,5as,8as,9s)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate
+CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c3ccc(cc3)F	IXS	n-[(1s)-1-benzyl-2-{[(1s)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-n'-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide
+c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CCNc3ccccc3)c4ccccc4	IXV	n-benzyl-4-phenyl-2-[(n-phenyl-beta-alanyl)amino]thiophene-3-carboxamide
+CCOC(=O)C[C@H]1CO1	IXW	ethyl (2s)-oxiran-2-ylacetate
+CN(C)CCCN1c2ccccc2CCc3c1cccc3	IXX	3-(5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine
+c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CNCCc4c[nH]c5c4cccc5)CCCC3	IXY	n-benzyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+c1ccc(cc1)CNCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4	IXZ	n-benzyl-2-[(n-benzylglycyl)amino]-4-phenylthiophene-3-carboxamide
+Cn1c2ccccc2c3c1C=C(C(=O)N3c4ccc(cc4)[N+](=O)[O-])C#N	IY1	5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido[3,2-b]indole-3-carbonitrile
+c1cc2c(c(c1)O)N=C(NC2=O)c3ccc(cc3)C(F)(F)F	IY5	8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one
+c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCCN	IY7	(2s)-6-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC(=O)N[C@@H](Cc1cc(c(c(c1)I)O)I)C(=O)NCC(=O)O	IYG	n-alpha-acetyl-3,5-diiodotyrosylglycine
+c1c([nH]cn1)[C@@H]([C@@H](COP(=O)(O)O)O)O	IYP	(2r,3s)-2,3-dihydroxy-3-(1h-imidazol-5-yl)propyl dihydrogen phosphate
+c1cc(c(cc1C[C@@H](C(=O)O)N)I)O	IYR	3-iodo-tyrosine
+C[C@H]([C@H](C(=O)O)NC(=O)[C@H](Cc1cc(c(c(c1)I)O)I)NC(=O)C)O	IYT	n-alpha-acetyl-3,5-diiodotyrosyl-d-threonine
+COc1ccc(cc1OC)c2ccc3c(c2)cc(s3)C(N)N	IYX	1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine
+CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NCC4CC4	IYZ	1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}phenyl)ethanone
+c1ccc(cc1)c2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F	IZ1	n-[(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1h-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
+c1ccc(cc1)Cc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F	IZ2	n-[(1s)-1-(4-benzyl-1h-imidazol-2-yl)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide
+c1ccc(c(c1)CC2=C=NC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F)F	IZ3	3-fluoro-n-[(1s)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide
+c1ccc(cc1)CC[C@@H]2CNC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F	IZ4	n-{(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4r)-4-(2-phenylethyl)-4,5-dihydro-1h-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide
+c1ccc(cc1)CCCc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F	IZ5	n-{(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[4-(3-phenylpropyl)-1h-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide
+Cc1ccc(cc1)/C=C/c2c(c3c(nc(nc3[nH]2)N)N)C#N	IZ9	(e)-2,4-diamino-6-(4-methylstyryl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3	IZA	2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz[h]-imidaz[4,5-f]isoquinoline-7-one
+CN1CCOc2c1ccc(c2)S(=O)(=O)N[C@@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)c5[nH]c6ccccc6n5	IZB	n-[(1s)-1-(1h-benzimidazol-2-yl)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2h-1,4-benzoxazine-7-sulfonamide
+C1N=CC(=N1)CC(=O)O	IZC	2h-imidazol-4-ylacetic acid
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N	IZD	isothiazolidinone analog
+c1cc(ccc1C[C@@H](c2[nH]c3ccc(cc3n2)C(F)(F)F)NC(=O)C(F)(F)F)[C@@H]4CC(=O)NS4(=O)=O	IZE	n-{(1s)-2-{4-[(5r)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]ethyl}-2,2,2-trifluoroacetamide
+COC(=O)c1c(cccc1OCCCCCNC(=O)[C@H](Cc2ccc(c(c2)Cl)[C@@H]3CC(=O)NS3(=O)=O)NS(=O)(=O)c4ccccc4)O	IZF	methyl 2-{[5-({3-chloro-4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-n-(phenylsulfonyl)-l-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate
+CN1C2=C(C(=C(C1=O)F)Nc3ccc(cc3F)I)C(=O)N(C=N2)C[C@H](CO)O	IZG	3-[(2r)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione
+CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4	IZN	(4bs,6s)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3h,5h-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one
+C#CCC[C@@H](C(=O)O)N	IZO	(2s)-2-aminohex-5-ynoic acid
+C[C@H](c1ccc(cc1)CC(C)C)C(=O)O	IZP	(2r)-2-[4-(2-methylpropyl)phenyl]propanoic acid
+c1ccc(cc1)c2nc(on2)[C@@H](c3ccccc3)Oc4cccc5c4cc(s5)C(N)N	IZX	1-{4-[(r)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine
+CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3cccc(c3)N	IZZ	(2s)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol
+B1(c2ccccc2[C@H](O1)C(=C)C(=O)O)O	J00	2-[(3s)-1-oxidanyl-3h-2,1-benzoxaborol-3-yl]prop-2-enoic acid
+C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O	J01	(2r,3z,5r)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)[N+](=O)[O-])S(=O)(=O)O	J02	2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid
+COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O	J03	(2~{r},3~{s},5~{r})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
+COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(c(cc3c2)OC)OS(=O)(=O)N	J04	7-methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium
+CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Br)S(=O)(=O)O	J05	1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid
+C[C@H](CCC[C@H](C)CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC[C@H](C)CCOP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)CCCC(C)C	J06	[(3s,6z,10z,14z,18z,22z,26z,30z,34z,39s,43s)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34-octaenyl] dihydrogen phosphate
+CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl	J07	4-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-n-ethylpiperidine-1-carboxamide
+[H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)\N	J08	4-[(5-phenyl-1~{h}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
+C[C@]12C=Cc3c(ccc4c3cc(c(c4)OS(=O)(=O)N)OC)[C@@H]1CC[C@@H]2OS(=O)(=O)N	J0A	(13alpha,17alpha)-2-methoxyestra-1,3,5,7,9,11-hexaene-3,17-diyl disulfamate
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(ncn3)N)c(n2)I	J0B	1-[(3~{r})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one
+C#CCCC1(N=N1)CCNCc2c[nH]c3c2C(=O)N=C(N3)N	J0C	2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
+C[n+]1ccc(c2c1cccc2)/C=C\3/N(c4ccccc4S3)C	J0D	1-methyl-4-[(z)-(3-methyl-1,3-benzothiazol-2(3h)-ylidene)methyl]quinolin-1-ium
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)O)c(ncn3)N	J0E	1-[(3~{r})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
+CCCc1c(c2cnc(nc2[nH]1)C)Br	J0F	5-bromanyl-2-methyl-6-propyl-7h-pyrrolo[2,3-d]pyrimidine
+C[C@H](c1cccc(c1)OC)NC(=O)c2ccc(cc2NCCN)c3ccncc3	J0G	2-[(2-aminoethyl)amino]-n-[(1r)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide
+C[C@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)N	J0J	d-alanyl-n-[(2s,6r)-6-amino-6-carboxy-1-{[(1r)-1-carboxyethyl]amino}-1-oxohexan-2-yl]-d-glutamine
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=C(C=C7)O)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C	J0K	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
+CC1(c2cccc(c2NC1=O)NC)C	J0L	3,3-dimethyl-7-(methylamino)-1h-indol-2-one
+C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O	J0M	d-galactonic acid
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=CC=C7)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C	J0N	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
+c1cc(c2c(c1)OCCO2)CNC(=O)c3ccc(cc3)c4ccncc4	J0P	n-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC(=O)N3)O)S(=O)(=O)c4ccc(cc4)OC	J0S	(3as,5r,6ar)-2-oxohexahydro-2h-cyclopenta[d][1,3]oxazol-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1cc(cc(c1)F)c2cn(nn2)C[C@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O	J0T	(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{r})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
+CC(=CC[C@H](Cc1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3O)O)OC)O)C(=C)C)C	J0U	(2s)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2r)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one
+Cc1c2c(oc1S(=O)(=O)O)-c3ccc4c(c3C(=O)C2=O)CCCC4(C)C	J0V	1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid
+CC(C)CN1CCc2cc(ccc2[C@@]1(C)c3ccc(cc3)/C=C/C(=O)O)O	J0W	(e)-3-[4-(6-hydroxy-2-isobutyl-1-methyl-3,4-dihydroisoquinolin-1-yl)phenyl]prop-2-enoic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCC(=O)O)COP(=O)(O)O)O	J0X	2-[[2-oxidanylidene-1-[(2r,4s,5r)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-4-yl]amino]ethanoic acid
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)[C@H](C(F)(F)F)F	J0Y	(2r)-2,3,3,3-tetrafluoro-n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide
+CC(=O)OCc1ccccc1	J0Z	benzyl acetate
+CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C	J10	methyl farnesoate
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F	J11	n-{(3r,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
+c1cc(sc1)CC(=O)Nc2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)NCCCN4CCN(CC4)CCCN	J12	n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-(2-thiophen-2-yl-acetylamino)-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide
+C(CCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O)CCCN=[N+]=[N-]	J13	(1s,2r,3r,4s,6s)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2NCCNCCc3cccc(c3)F	J14	n-{(3s,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN	J15	n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-alpha-benzamide
+Cc1cccc(c1C)c2ccc(cc2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)c5ccccc5C(F)(F)F	J18	[(8r,9s,10s)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
+COc1cc(ccc1O)/C=C\2/C(=O)N/C(=N/c3ccccc3Cl)/S2	J19	(2z,5z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one
+c1c(nc2c(n1)N=C(NC2=O)N)CNCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	J1A	5'-s-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)CNCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C	J1B	5'-s-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C	J1C	5'-s-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)NCCS(=O)(=O)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C	J1D	5'-{[2-({n-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine
+c1cc(cc(c1)F)c2cn(nn2)C[C@@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O	J1E	(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{s})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)N(CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)CP(=O)(O)O)C	J1F	((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-n-(2-((((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCC3	J1G	n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclopentanecarboxamide
+C[N+](C)(CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl)CC(=O)O	J1H	[(3~{r})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN(CCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)CP(=O)(O)O)C	J1I	5'-s-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine
+c1ccc(cc1)C[C@@H](C(=O)NCCCCCN=C(N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O	J1J	n-[(2s)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide
+c1cc(ccc1C(=O)NCCO)C(=O)O	J1K	4-(2-hydroxyethylcarbamoyl)benzoic acid
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@H](C[C@@H]3C(=O)O)S(=O)(=O)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C	J1L	5'-{[(2r,4r)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine
+C[C@](CCN1C=CC(=CC1=O)c2ccc(cc2)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C	J1M	(2s)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+CCc1c(c2c(ncnc2s1)NC(CO)C(=O)O)c3ccccc3	J1N	2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCCC(=O)O)O	J1O	4-[[(2r)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid
+CCCCN(CCCC)C(=O)c1cc(n(n1)c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C	J1Q	1-[2-[[(3~{s})-3-(aminomethyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]phenyl]-~{n},~{n}-dibutyl-5-methyl-pyrazole-3-carboxamide
+CC1=C([C@@]2([C@]3(C(=C(C4=[N]3[Co+]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)C)C)C	J1R	(1r,19r) cobalt tetradehydrocorrin
+CC1=C([C@]2([C@@]3(C(=C(C4=[N]3[Co+]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)C)C)C	J1S	(1s,19s) cobalt tetradehydrocorrin
+COc1cc2c(cc1[C@H](CN3CCCC3)c4ccc(cc4)c5ccc(cc5)C(=O)NS(=O)(=O)c6ccc(c(c6)S(=O)(=O)C(F)(F)F)N[C@H](CCN7CCOCC7)CSc8ccccc8)OCO2	J1T	4-[4-[(1~{r})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{n}-[4-[[(2~{r})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3	J1V	n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide
+CCCCCCCCCCCCCC[C@H](C(=O)O)Br	J1W	2-bromopalmitic acid
+c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4	J1X	3-(1h-pyrazol-1-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
+c1csc2c1scc2	J1Z	thieno[3,2-b]thiophene
+COc1ccc(cc1)C2(c3cc(ccc3-c4c2c(c(cc4)C=O)C#Cc5ccc(cc5)O)O)c6ccc(cc6)OC	J20	1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde
+CC(=O)NCCOc1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Br	J21	n-{[(1s)-5-({2-[2-(acetylamino)ethoxy]-4-bromobenzoyl}amino)-1-carboxypentyl]carbamoyl}-l-glutamic acid
+Cc1cccc(c1C)c2ccc(cc2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)c5nccn5C	J22	{(8r,9s,10s)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1h-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol
+CCOC(=O)c1c2c(ccc(c2CN3CCOCC3)O)oc1c4ccccc4	J24	ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate
+CCOC(=O)c1c2c(sc1NC(=O)Cc3cccs3)CN(CC2)C(=O)OCC	J25	diethyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate
+Cc1cc(ccc1c2ccc(cc2Cl)C[NH3+])F	J27	[3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium
+Cc1cc(c(cc1/N=N/c2cc(c(cc2N)O)C)S(=O)(=O)O)C	J28	5-[(e)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H]([C@@H](CO[P@@](=O)(O4)S)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)S)O)N	J2A	(2s,5r,7r,8r,10r,12ar,14r,15r,15as,16r)-7-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-14-(6-amino-9h-purin-9-yl)-15,16-dihydroxy-2,10-disulfanyloctahydro-2h,10h,12h-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+c1nc(c2c(n1)n(cn2)[C@@H]([C@@H]([C@@H](CCO[P@@](=O)(O[C@@H]3[C@@H]([C@H](O[C@H]3n4cnc5c4NC(=NC5=O)N)CO)O)S)OP(=O)(O)S)O)O)N	J2B	o-[(1r,2r,3r)-5-{[(s)-{[(2r,3r,4r,5r)-2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro furan-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9h-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (r)-phosphorothioate
+c1cc(oc1)CN2C(=O)CSC23CCN(CC3)C(=O)CCl	J2C	8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCOCC3	J2D	n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide
+CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OC4CCCC4)OC)C	J2E	1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one
+COc1ccc(cc1S(=O)(=O)Nc2ccc(cc2N3CCCCC3)C(F)(F)F)C(=O)O	J2G	4-methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
+Cc1cccnc1CN2CCC3(CC2)C(=O)N(C(=O)N3c4ncccn4)c5ccc(cc5)c6ccccc6	J2H	8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
+Cc1cc([nH]n1)Nc2c3cccn3nc(n2)N4CCN(CC4)C(=O)Cc5c(cc(cc5F)OC)F	J2I	2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone
+c1cc(c(c(c1)O)O)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	J2J	5'-o-[(s)-[(2,3-dihydroxybenzene-1-carbonyl)oxy](hydroxy)phosphoryl]adenosine
+CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)CCNC3=O)c4ccc(nc4)F	J2M	n-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1h-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide
+[H]/N=C(/c1ccc(cc1)NC(=O)[C@H]2CCCNC2=O)\N	J2N	(3~{s})-~{n}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
+Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N	J2O	11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine
+CC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2	J2P	(3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium
+[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OCC)\N	J2Q	~{n}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide
+c1cc2c(cc1Nc3ccc4nnnn4n3)CCC2	J2T	n-(2,3-dihydro-1h-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine
+c1ccc(cc1)Cc2cc(cc3c2C[C@@H](C3=O)Cc4ccc(cc4)O)c5ccc(cc5)O	J2U	(2~{s})-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-2,3-dihydroinden-1-one
+CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(nc4)OC	J2V	n-{4-[3-(6-methoxypyridin-3-yl)-1h-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
+[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OC)\N	J2W	~{n}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide
+c1ccc(cc1)Cc2cc(cc3c2C[C@@](C3=O)(Cc4ccc(cc4)O)CO)c5ccc(cc5)O	J2X	(2~{s})-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-3~{h}-inden-1-one
+CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(cn4)OC	J2Y	n-{4-[3-(5-methoxypyridin-2-yl)-1h-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H](C2=O)O)O	J2Z	(9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one
+c1ccc2c(c1)cccc2CN3CCN(CC3)C(=O)CCCS	J30	4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol
+c1ccc(c(c1)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	J31	n-{[(1s)-1-carboxy-5-{[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)benzoyl]amino}pentyl]carbamoyl}-l-glutamic acid
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#Cc5ccc(cc5)COC[C@H](CO)OP(=O)(O)O	J32	[(2~{s})-1-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propan-2-yl] dihydrogen phosphate
+c1cc(c(c2c1N=C3NC(=O)CN3C2)Cl)Cl	J33	6,7-bis(chloranyl)-3,5-dihydro-1h-imidazo[2,1-b]quinazolin-2-one
+c1ccc(c(c1)NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	J34	n-{[(1s)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)pentyl]carbamoyl}-l-glutamic acid
+CCC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc(cc2)C(F)(F)F)OC)C(=O)O	J35	(2s)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid
+c1ccc2c(c1)c3c([nH]2)C4=Cc5ccncc5C(=O)N4CC3	J36	parvine
+c1cc(ccc1CN(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)Br	J37	n-({(1s)-6-(4-bromobenzyl)-1-carboxy-7,47-dioxo-52-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodecaoxa-6,46-diazadopentacont-1-yl}carbamoyl)-l-glutamic acid
+C[C@@H]1C(=O)Nc2cc(ccc2S1)C(=O)NO	J38	(2r)-2-methyl-3-oxo-4h-1,4-benzothiazine-6-carbohydroxamic acid
+Cc1cc(n[nH]1)Nc2cc(nc(n2)/C=C/c3ccccc3)N4CCN(CC4)C	J3A	6-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]pyrimidin-4-amine
+[H]/N=C(/c1ccc(cc1)NC(=O)[C@@H]2CCCNC2=O)\N	J3B	(3~{r})-~{n}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
+Cc1c(n2ccc3c(c2n1)N[C@H]([C@H]([C@@H]3O)O)c4ccccc4)C	J3C	(7r,8r,9s)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol
+C([C@@H](C(=O)O)NC(=O)O)S	J3D	n-carboxy-l-cysteine
+Cc1c(c(n[nH]1)C)c2cccc3c2[nH]c(c3CCCOc4cccc5c4cccc5)C(=O)O	J3E	7-(3,5-dimethyl-1~{h}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxylic acid
+CCN(CC)c1ccc2c(c1)OC(=O)C=C2N(C)CCOc3ccc(cc3)C[C@H]4C(=O)NC(=O)S4	J3F	(5s)-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
+CCCC(=O)OCC(COC(=O)CCC)O	J3G	2-hydroxypropane-1,3-diyl dibutanoate
+CCC(=O)N1CCC[C@H](C1)n2c3c(cn2)c(ncn3)N	J3H	1-[(3~{r})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one
+[H]/N=C(\N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	J3I	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
+CCCC(=O)OC(CO)CO	J3J	1,3-dihydroxypropan-2-yl butanoate
+C[C@H](CN)O	J3K	(2~{r})-1-azanylpropan-2-ol
+CCC/C=C/C=C/C(=O)[C@@H]1C(=O)[C@@H](N(C1=O)C)C[C@](C(C)C)(C(=O)O)O	J3L	(2s)-3-methyl-2-[[(2s,4r)-1-methyl-4-[(2e,4e)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid
+CC(C)(C)O[C@@H](c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5ccccc5)C(=O)O	J3M	(2s)-tert-butoxy[3-(3,4-dihydro-2h-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N	J3N	1-[(3~{r})-3-[4-azanyl-3-(1~{h}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
+CC(C)(C)O[C@@H](c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5cnn(c5)Cc6ccccc6)C(=O)O	J3P	(2s)-[1-(1-benzyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2h-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	J3Q	(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CN(CCC(=O)O)c1ccc(c2c1non2)[N+](=O)[O-]	J3R	3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid
+C(CCC(=O)N)C[C@@H](CCS)S	J3S	(6s)-6,8-disulfanyloctanamide
+[H]/N=C(/N)\SCc1ccc(cc1)B2O[C@@H](C(=O)O2)O	J3T	[4-[(4~{s})-4-oxidanyl-5-oxidanylidene-1,3,2-dioxaborolan-2-yl]phenyl]methyl carbamimidothioate
+C=CC#CC#C/C=C/C[C@H]([C@H](CCCCC(=O)O)O)O	J3U	(6s,7r,9e)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid
+c1cc(ccc1C(F)(F)F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N	J3V	4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide
+CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccs4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	J3W	methyl ~{n}-[(2~{s})-3,3-dimethyl-1-[2-[3-[(3~{r},6~{s},10~{z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate
+c1cc(oc1CN2C(=O)CSC23CCN(CC3)C(=O)CCl)Br	J3X	4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
+Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)N[C@@H](C)c4ccc(cn4)F)C(=O)N5CCOCC5	J3Y	[6-{[(1s)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1h-pyrazol-3-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O	J3Z	(9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one
+CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C/C/C=C/CC=CCC=CC	J40	[(2r)-1-[oxidanyl-[(2r,3r,5s,6r)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5e,8e)-hexadeca-5,8,11,14-tetraenoate
+CC1=CC(=O)n2c(c(c(n2)c3ccccc3)c4ccccc4)N1	J41	5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4h)-one
+c1cc(c(cc1Br)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	J42	n-{[(1s)-5-({[4-bromo-2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)-1-carboxypentyl]carbamoyl}-l-glutamic acid
+CSc1nc(c(c(n1)Cl)C=O)Nc2ccc(cc2)S(=O)(=O)N	J43	4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide
+c1cc(ccc1Nc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N	J45	4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide
+c1ccc(cc1)CNS(=O)(=O)c2cc(ccc2Br)C(=O)Nc3ccc(cc3)Br	J46	4-bromanyl-n-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide
+c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br	J47	5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile
+c1cc2nc3c1ccc(n3)NC(=O)OCC/C=C/CCOC(=O)Nc4ccc5ccc(nc5n4)C[NH2+]C2	J48	cmbl3a
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2c(ncnc2O)N	J49	(2s)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid
+CC1=C(C(=O)n2c(c(c(n2)c3ccccc3)N4CCCCC4)N1)c5ccc(cc5)O	J4A	6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4h)-one
+CCc1c(c(ccc1C(=O)NNC(=O)[C@H](c2cc(cc(c2)F)F)O)O)C	J4B	~{n}'-[(2~{s})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]-2-ethyl-3-methyl-4-oxidanyl-benzohydrazide
+Cn1c2c(nc1Nc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C	J4C	(2s)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid
+c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)N(=O)=O)S(=O)(=O)[N](=O)O	J4D	1-[3-nitro-2-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]sulfonyl-phenyl]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]urea
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(cc4)F)O	J4E	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+Cc1cc(nc(n1)CCC(=O)O)Nc2nc3c(n2C)C(=O)N(C(=O)N3C)Cc4cc5c([nH]4)cccc5Cl	J4F	3-[4-[[1-[(4-chloranyl-1h-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](CCC(=O)O)N)O)N	J4G	3'-deoxy-3'-[(l-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate)
+c1cc2nc3c1ccc(n3)NC(=O)OCCCNCCCOC(=O)Nc4ccc5ccc(nc5n4)C[NH2+]C2	J4H	cmbl4
+c1ccc(c(c1)[N+](=O)[O-])SCC(=O)NN	J4J	2-[(2-nitrophenyl)sulfanyl]acetohydrazide
+c1cc(ccc1OCc2[nH]nnn2)Cl	J4K	5-[(4-chloranylphenoxy)methyl]-1h-1,2,3,4-tetrazole
+Cn1c2c(nc1NC3CCC(CC3)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C	J4L	1-(3,4-dichlorobenzyl)-8-(((1r,4r)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+Cc1cc(n[nH]1)c2cnc3n2nc(cc3)N[C@@H](C)c4ccc(cc4F)F	J4M	n-[(1s)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1h-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(cc(c4)F)F)O	J4N	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+CCc1c(c([nH]c1c2[nH]c3cc(ccc3n2)N4CCOCC4)C)C(=O)C	J4O	1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1h-benzimidazol-2-yl)-1h-pyrrol-3-yl]ethanone
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCC3	J4P	(2r)-2-[(cyclopentylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
+CS(=O)(=O)c1nccn1Cc2cscn2	J4Q	4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole
+Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5cnn(c5)C)C(=O)C	J4R	1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1h-pyrrol-3-yl]ethanone
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CC3	J4S	(2r)-2-[(cyclopropylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
+CC1(C=C(C(N1O)(C)C)Cn2cc(nn2)[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=O)NC4=O)COP(=O)(O)O)O)C	J4T	[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-[(2,2,5,5-tetramethyl-1-oxidanyl-pyrrol-3-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H]1CC[C@@]2([C@@H]([C@H]3[C@@H](O2)C[C@H]4[C@@]3(CC[C@H]5[C@@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@H]9[C@H]([C@H]([C@H]([C@@H](O9)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1	J4U	(2~{r},3~{s},4~{s},5~{s},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{s},4~{r},5~{r},6~{r})-2-(hydroxymethyl)-6-[2-[[(2~{r},3~{s},4~{r},5~{r},6~{s})-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-[(1~{r},2~{r},4~{s},5'~{r},6~{r},7~{r},8~{r},9~{s},12~{s},13~{r},16~{s})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxy-butoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5	J4V	(1r,2r,3s,5r,7r)-n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide
+B1(c2cc(ccc2CO1)NC(=O)OC(C)(C)C)O	J4W	tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate
+[H]/N=C(\c1ccc2cc(cc(c2c1)Nc3ncccn3)C(=O)Nc4ccccc4)/N	J4X	6-carbamimidoyl-n-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide
+c1ccc(cc1)[C@H]2C[C@@H]2C(=O)NNC(=O)CCl	J4Y	(1s,2s)-n'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
+Cc1cc(n2c(n1)ncn2)Nc3ccc4cc5ccccc5cc4c3	J4Z	n-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+c1ccc(cc1)c2ccc(o2)CN3C(=O)CSC34CCN(CC4)C(=O)CCl	J50	8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
+CC(=O)NC(=O)OCc1ccccc1	J51	benzyl acetylcarbamate
+C(#N)[Fe](=C=O)(C#N)[Ni]C#[O+]	J52	dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron
+CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O	J53	(2s)-2-{4-butoxy-3-[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid
+c1ccc(cc1)CNC(=O)NC[C@H](C(=O)O)O	J54	(2r)-3-{[(benzylamino)carbonyl]amino}-2-hydroxypropanoic acid
+c1cc(nc(c1)Br)NC(=O)[C@H]2N(CCS2)C(=O)Cn3c4c(cccn4)c(n3)C(=O)N	J55	1-(2-{(2s)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1h-pyrazolo[3,4-b]pyridine-3-carboxamide
+c1ccc2c(c1)cnn2CC(=O)N3CCS[C@H]3C(=O)Nc4cccc(n4)Br	J56	(2s)-n-(6-bromopyridin-2-yl)-3-[(1h-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide
+CC(C)c1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O	J57	(~{e})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid
+c1cc2c(cc1N)c([nH]n2)Br	J58	3-bromanyl-2~{h}-indazol-5-amine
+c1cc(c(c2c1nccn2)Br)NC3=NCCN3	J59	brimonidine
+CC(=O)NCc1cc(cs1)Br	J5A	n-[(4-bromothiophen-2-yl)methyl]acetamide
+C[C@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O	J5B	(3r)-3-hydroxybutyl alpha-d-glucopyranoside
+Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C	J5C	oxymetazoline
+Cc1cc(ccc1F)CNC(=O)C	J5D	n-[(4-fluoro-3-methylphenyl)methyl]acetamide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4)F)F)O	J5E	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+CCCc1ccc(cc1)c2ccc(cc2)N(C[C@H]([C@@H](C)CC)N)C(=O)[C@H]3C[C@@H]3c4ccccn4	J5F	(1s,2s)-n-[(2s,3s)-2-azanyl-3-methyl-pentyl]-n-[4-(4-propylphenyl)phenyl]-2-pyridin-2-yl-cyclopropane-1-carboxamide
+Cc1cc(no1)NC(=O)C	J5G	n-(5-methyl-1,2-oxazol-3-yl)acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4)O	J5H	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] naphthalene-2-carbothioate
+CC1=Cc2ccccc2NC1=O	J5I	3-methyl-1,2-dihydroquinolin-2-one
+Cc1cccc(c1)/C=N/C(=O)C	J5J	n-[(e)-(3-methylphenyl)methylidene]acetamide
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(nc3)N)N	J5K	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=O)NC)O)S(=O)(=O)c4ccc5c(c4)O/C(=N\C)/N5	J5L	(3r,3as,4r,6ar)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[(2z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CC(=O)NCC#Cc1cccc(c1)C(F)(F)F	J5M	n-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide
+CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)C#C)NC(=O)c3ccc(cc3)c4c(sc(n4)N5CCN(CC5)C)F	J5N	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{r})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
+CC(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1	J5P	n'-acetyl-2-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cccc(c4)F)O	J5Q	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+c1cc2c(c(c1)Cl)C(=O)c3ccc(cc3O2)C(=O)O	J5R	8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid
+Cc1ccc(cc1)/C=N/C(=O)C	J5S	n-[(e)-(4-methylphenyl)methylidene]acetamide
+CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)Cl)NC(=O)c3ccc(cc3)c4c(sc(n4)N5CCN(CC5)C)F	J5T	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{s})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
+CC(=O)NCC#Cc1ccccc1	J5V	n-(3-phenylprop-2-yn-1-yl)acetamide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccccc4F)O	J5W	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O	J5X	gibberellin a9
+Cc1ccc(cc1N2CCN(CC2)c3ccc(c(c3)F)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)Nc6ccncc6)Cl	J5Y	nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-n-pyridin-4-yl-d-tryptophanamide
+Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)C(F)(F)F	J5Z	5-methyl-n-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CCN(CC)CCNC(=O)c1c(c([nH]c1C)\C=C/2\c3cc(ccc3NC2=O)Cl)C	J60	5-[(e)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n-[2-(diethylamino)ethyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide
+CC(=O)NNC(=O)c1ccccc1Cl	J61	n'-acetyl-2-chlorobenzohydrazide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4)C)F)O	J62	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+CC(C)C1=C(N(C(=O)N(C1=O)O)COCc2ccccc2)CC3CCCCC3	J63	1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1h,3h)-dione
+CC(=O)NCc1ccc(s1)Cl	J64	n-[(5-chlorothiophen-2-yl)methyl]acetamide
+c1ccc(cc1)\C=C\c2cccc3c2/C(=N/O)/C(=O)N3Cc4cc(cc5c4OCOC5)F	J67	(3z)-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-4-[(e)-2-phenylethenyl]-1h-indole-2,3-dione 3-oxime
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCCC3	J6A	(2r)-2-[(cyclohexylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
+CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)N)NC(=O)c3ccc(c(c3)F)c4csc(n4)N5CCN(CC5)C	J6B	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{r})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
+CC(C)C1=CCC2=C(C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C	J6C	miltiradiene
+CCN(c1cc2c(cc1c3cccc(c3)C(=O)NC4(CC4)c5ncccn5)c(c(o2)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C	J6D	6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-n-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
+c1cc(c(cc1NC(=O)N2CCCC2)c3ccn4c(cnc4n3)N5CCOCC5)F	J6E	~{n}-[4-fluoranyl-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide
+c1cc(ccc1[C@H](CC(=O)O)C2=CC(=O)NC=C2)Cl	J6H	(3~{s})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{h}-pyridin-4-yl)propanoic acid
+CCNc1cc2c(cc1c3ccc(c(c3)C(=O)NC4(CC4)c5ncc(cn5)F)OC)c(c(o2)c6ccc(cc6)F)C(=O)NC	J6J	6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-n-methyl-1-benzofuran-3-carboxamide
+Cc1ccc(cc1CN(C)S(=O)(=O)c2ccccc2)[C@H](CC(=O)O)c3cc4c(c(c3)OC)n(nn4)C	J6K	(3~{s})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid
+CC1(C=Cc2c(ccc3c2OC=C(C3=O)c4cc(c(cc4OC)OC)OC)O1)C	J6L	8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one
+Cn1c2ccc(cc2nn1)[C@H](CC(=O)O)c3ccc(cc3)Cl	J6N	(3~{r})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid
+CC1(c2c(c3cc(c(cc3[nH]2)Cl)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	J6P	(5as,12as,13as)-8,9-dichloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+Cc1cc(ccc1Cl)[C@H](CC(=O)O)c2ccc3c(c2)nnn3C	J6Q	(3~{s})-3-(4-chloranyl-3-methyl-phenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid
+c1cc(ccc1/C=C/C=C/C(=O)C(=O)O)[N+](=O)[O-]	J6S	(3e,5e)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid
+c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N	J6T	2-[2-[[3-[3-[(1~{s})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid
+Cc1cc(ccc1F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N	J6V	3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide
+Cc1ccc2c(c1)cc(s2)CO	J6W	(5-methyl-1-benzothiophen-2-yl)methanol
+CC[C@@H](C)S(=O)(=O)[O-]	J6Z	(2r)-butane-2-sulfonate
+c1cc2c3c(ccc4c3c1C(=O)NC4=O)C(=O)N(C2=O)CC5=CC=[N](C=C5)[Pt]67[NH2]CC[NH]6CC[NH2]7	J70	pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetraone)
+COc1c(c(ncn1)NCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-]	J71	4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide
+c1cc2c(cc1F)/C(=N\O)/C(=O)N2Cc3cc(cc4c3OCOC4)F	J72	(3e)-5-fluoro-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-1h-indole-2,3-dione 3-oxime
+c1cc(ccc1CCn2cc(nn2)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	J73	methanol triazol ethyl phenyl 1o-alpha-d-mannopyranoside
+c1cc(ccc1CCNc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N	J74	4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
+c1ccc(cc1)CNc2c(c(ncn2)NCc3ccc(cc3)S(=O)(=O)N)[N+](=O)[O-]	J75	4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2ccc(cc2)CCCCC)O)O	J76	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(4-pentylphenyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2h-pyran-2-yl]oxy}octanamide
+CCOC(=O)c1ccc(cc1)OCCC2CCN(CC2)c3ccc(nn3)C	J77	(methylpyridazine piperidine ethyloxyphenyl)ethylacetate
+CCOC(=O)c1ccc(cc1)OCCCC2CCN(CC2)c3ccc(nn3)C	J78	(methylpyridazine piperidine propyloxyphenyl)ethylacetate
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)O)NC(=O)C	J79	(2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid
+c1ccc(c(c1)CC(=O)O)NC(=O)c2cccc(c2)c3cccc(c3)CN	J7B	2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
+[H]/N=C(\N)/NCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	J7C	9-(6-carbamimidamido-5,6-dideoxy-beta-d-ribo-hexofuranosyl)-9h-purin-6-amine
+c1cc(cc(c1)C(=O)O)C#Cc2cc(ccn2)NC(=O)Nc3ccnc(c3)Cl	J7G	3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid
+CCCCC[C@](C)(C(=O)O)N	J7H	(2~{r})-2-azanyl-2-methyl-heptanoic acid
+c1cc(cc(c1)C#Cc2c(c(sn2)NC(=O)Nc3cc(ncc3N)Cl)Br)CO	J7J	n-(5-amino-2-chloropyridin-4-yl)-n'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea
+O[Mo]1O[Mo](O1)(O)O	J7N	2,2,4-tris(oxidanyl)-1,3-dioxa-2$l^{4},4$l^{3}-dimolybdacyclobutane
+O[Mo]O[Mo]1(O[Mo](O[Mo](O[Mo](O1)([O])([O])([O])O[Mo]([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])([O])O[Mo]([O])([O])[O])[O]	J7Q	tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1}-oxidanyl)-8-(oxidanylmolybdeniooxy)-6-[tris($l^{1}-oxidanyl)molybdeniooxy]-1,3,5,7-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{4}-tetramolybdacyclooct-2-yl]oxy]molybdenum
+COc1ccc2c(c1)NC(=O)CN2c3c4cccnc4nc(n3)Cl	J7S	4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+[O][Mo]([O])([O])O[Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]89(O5[Mo]1(O8)(O[Mo]2(O1[Mo]1(O63[Mo](O12)(O4)(O7)([O])[O])(O9)[O])([O])([O])[O])([O])[O])([O])[O])[O])([O])[O])([O])[O]	J7T	molybdate cluster
+c1ccc(cc1)C2=C3C=CC4=[N]3[Cr]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J7U	chromium-5,10,15,20-tetraphenylporphyrin
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N[C@@H]3[C@H](O[C@H]([C@@H]3O)n4cnc5c4ncnc5N)CO[P@@](=O)(O)OP(=O)(O)O	J7V	3'-(7-diethylaminocoumarin-3-carbonylamino)-3'-deoxy-adp
+c1ccc(cc1)C2=C3C=CC4=[N]3[Mn]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J7X	mn-5,10,15,20-tetraphenylporphyrin
+CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	J7Z	(2s)-3-[(6-o-alpha-d-galactopyranosyl-beta-d-galactopyranosyl)oxy]-2-[(3z,6z,9z,12z,15z)-octadeca-3,6,9,12,15-pentaenoyloxy]propyl (5z,8z,11z,14z,17z)-icosa-5,8,11,14,17-pentaenoate
+CCOC(=O)c1ccc(cc1)OCCCCC2CCN(CC2)c3ccc(nn3)C	J80	(methylpyridazine piperidine butyloxyphenyl)ethylacetate
+CCCCCCCCCNC(=O)CCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O	J81	(5r,6s,7s)-5,6-dihydroxy-n-nonyl-7-(octanoylamino)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)
+C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4	J82	2-[2-(2-methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-6-morpholin-4-yl-3h-pyrimidin-4-one
+c1ccc(cc1)C2=C3C=CC4=[N]3[Co]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J83	co-5,10,15,20-tetraphenylporphyrin 
+c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N	J84	1-(2,4-dichlorophenyl)-4-(1h-tetrazol-5-yl)-1h-pyrazol-5-amine
+O[Mo]O([Mo]O)[Mo](=O)([O])O([Mo]O)[Mo]([O])([O])([O])[O]	J85	[[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum
+C[C@@H](NCc1cc(cc2c1NC(=O)C(=O)N2)Br)P(=O)(O)O	J86	[(1s)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid
+COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4	J87	n-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
+c1ccc(cc1)c2cccc3c2/C(=N/O)/C(=O)N3Cc4cc(cc5c4OCOC5)F	J88	(3z)-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1h-indole-2,3-dione 3-oxime
+CCCCCCCCc1ccc(cc1)CC[C@](CO)(COP(=O)(O)O)N	J89	(2~{s})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol
+c1cc(cc(c1)C(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCNCC3)c4ccc5c(n4)sc(n5)NC(=O)C6CC6	J8A	3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-n-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
+[O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O]	J8B	molybdate cluster
+CCc1cc(ccc1CN2CC(C2)C(=O)O)/C(=N/OCc3ccc(c(c3)C(F)(F)F)C4CCCCC4)/C	J8C	1-[[4-[(~{e})-~{n}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{c}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid
+COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O	J8D	5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4h-1-benzopyran-4-one
+O[Mo]O[Mo]1(O[Mo](O1[Mo]O)([O])([O])[O])([O])[O]	J8E	oxidanyl-[[2,2,4,4,4-pentakis($l^{1}-oxidanyl)-1-(oxidanylmolybdenio)-1$l^{3},3-dioxa-2$l^{5},4$l^{5}-dimolybdacyclobut-2-yl]oxy]molybdenum
+CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N	J8F	4-[(~{z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile
+COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O	J8G	2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4h-1-benzopyran-4-one
+Cc1ccc(cc1CN2CCOc3ccccc3S2(=O)=O)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C	J8H	(3~{s})-3-[3-[[1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]-4-methyl-phenyl]-3-(7-methoxy-1-methyl-benzotriazol-5-yl)propanoic acid
+CN(C)CCN(C)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N	J8L	4-[(~{z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile
+c1ccc(cc1)Sc2cc(c(cc2C(=O)NCCCO)S(=O)(=O)N)Cl	J8N	4-chloranyl-~{n}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide
+CN(CCO)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N	J8O	4-[(~{z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile
+CCCCNC(=O)c1cc(c(cc1SCCc2ccccc2)Cl)S(=O)(=O)N	J8Q	~{n}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
+CN(CCO)c1ccc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N	J8R	4-[(~{z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile
+COc1cc(ccc1C(=O)N2CCC(CC2)Cc3ccccc3)SC	J8S	(4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone
+CC(C)(COP(=O)(O)O)[C@H](C(=O)N)O	J8T	[(3~{r})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
+CN(C)CCN(C)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N	J8U	4-[(~{z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile
+c1ccc(cc1)OC2=C(C(=O)NC(=C2)C(F)(F)F)C(=O)Nc3cccc(c3)C(=O)O	J8V	3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid
+C([C@@H](C(=O)O)N)OC(=O)CC(=O)O	J8W	(2~{s})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
+CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2nc3ccccc3o2	J8X	(~{e})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile
+c1cc(cc(c1)NC(=O)C2=CC=C(NC2=O)C(F)(F)F)c3[nH]nnn3	J8Y	2-oxo-n-[3-(1h-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
+Cc1cccc(c1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2	J8Z	(2r)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate
+c1cc(ccc1CNC2=C(C(=O)NC=N2)[N+](=O)[O-])S(=O)(=O)N	J90	4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide
+c1ccc(c(c1)Oc2c(cccc2NC(=O)C3=CC=C(NC3=O)C(F)(F)F)C(=O)O)F	J91	2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid
+COC(=O)CCCNC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N	J92	methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
+CN(CCO)c1cc2c(s1)cc(s2)/C=C(\C#N)/c3ccc(cc3)C#N	J93	4-[(~{z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile
+C[N+]1(CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3)C	J94	(5s)-6,6-dimethyl-5-[(6r)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
+CCCCNC(=O)c1cc(c(cc1NC2CCCCC2)Cl)S(=O)(=O)N	J95	~{n}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide
+c1ccc(c(c1)CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	J96	n-{[(1s)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]acetyl}amino)pentyl]carbamoyl}-l-glutamic acid
+c1cc(cc(c1)NC(=O)C2=C(C=C(NC2=O)C(F)(F)F)Sc3c(cccc3Cl)Cl)C(=O)O	J97	3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(nn3C)C4CC4)-c5cc(c(nc5)N)O1)C)F	J99	(10r)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one
+C(CC(=O)O)[C@@H](C(=O)NC[C@@H](C(=O)O)N)N	J9A	n-[(2s)-2-amino-2-carboxyethyl]-l-alpha-glutamine
+c1cc(ccc1C#N)Nc2nc(cc(n2)n3cc(nc3)CCO)N	J9D	4-({4-amino-6-[4-(2-hydroxyethyl)-1h-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile
+c1c(cc(c2c1[nH]c(c2)C(=O)NC3CCC4(CCCCC4)CC3)F)F	J9E	4,6-difluoro-n-(spiro[5.5]undecan-3-yl)-1h-indole-2-carboxamide
+c1ccc(c(c1)C2=N[C@H](CS2)C(=O)O)O	J9F	(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+c1ccc(cc1)CN2c3c(cc(cn3)Nc4ccc(cc4F)F)NC2=O	J9G	3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one
+Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C]=[C]5)(C)N	J9H	pentacoordinate pt(ii) compound
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSCCC(=O)NCc2cccnc2	J9K	tert-butyl [(2s)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate
+Cc1cccc2c1c(c[nH]2)[C@@H](C)[C@H]3C(=O)N=C(O3)NC	J9L	(5s)-2-(methylamino)-5-[(1r)-1-(4-methyl-1h-indol-3-yl)ethyl]-1,3-oxazol-4-one
+c1cc(sc1)C2=NN=C(C2)N	J9N	5-thiophen-2-yl-4~{h}-pyrazol-3-amine
+CCOc1ccccc1N2C(=O)c3ccccc3N=C2[C@H](C)N4CCN(CC4)C(=O)COc5ccc(cc5)Cl	J9O	2-[(1s)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
+CCCC[C@@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O	J9P	(11alpha,12alpha,13e,16s)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid
+c1ccc(c(c1)c2cnco2)N	J9Q	2-(1,3-oxazol-5-yl)aniline
+Cn1cc(cn1)c2cc(nc3c2ccc(c3)CN4CCO[C@@H](C4)C(F)(F)F)C(=O)N	J9R	4-(1-methylpyrazol-4-yl)-7-[[(2~{s})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
+COc1ccccc1[C@@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4	J9S	n-[(2s)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-n-[(thiophen-2-yl)methyl]glycine
+COC(=O)c1ccnc(c1)N	J9T	methyl 2-azanylpyridine-4-carboxylate
+C[C@@H]1c2c(c(cc(n2)C(=O)N)c3ccc(cc3F)F)CCN1Cc4ccnn4C	J9U	(8~{r})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{h}-1,7-naphthyridine-2-carboxamide
+COc1ccccc1[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4	J9V	n-[(2r)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-n-[(thiophen-2-yl)methyl]glycine
+c1ccc2c(c1)C(=O)NC(=O)O2	J9W	1,3-benzoxazine-2,4-dione
+CCNC(=O)C(=O)O	J9X	2-(ethylamino)-2-oxidanylidene-ethanoic acid
+CN/C(=[N+](\CCC[C@@H](C(=O)[O-])N)/O)/N	J9Y	(2s)-2-amino-5-{[(e)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate
+c1ccc(cc1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2	J9Z	(2r)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate
+CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-]	JA1	5-hexyl-2-(4-nitrophenoxy)phenol
+c1ccc2c(c1)[nH]c(n2)CCCCCN	JA2	5-(1h-benzimidazol-2-yl)pentan-1-amine
+CCc1cc(c(cc1F)Oc2cccnc2F)O	JA3	5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol
+COc1ccccc1[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3cc4c(cc3Cl)NC(=O)C=C4	JA4	n-[(2r)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-n-[(thiophen-2-yl)methyl]glycine
+COC(=O)c1cc2cc(sc2[nH]1)CO	JA5	methyl 2-(hydroxymethyl)-6~{h}-thieno[2,3-b]pyrrole-5-carboxylate
+c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCCC(=O)O	JA7	5-{2-[(1r)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid
+c1cc2c(cc1Br)nc(s2)N	JA8	5-bromanyl-1,3-benzothiazol-2-amine
+CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl	JA9	6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1h-benzimidazole
+CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O	JAA	{(1r,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetic acid
+c1cnoc1C(=S)N	JAB	1,2-oxazole-5-carbothioamide
+c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4	JAC	1-({4-[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4h)-yl]phenyl}methyl)-2-pyrrolidinone
+Cc1c(ccc(c1Cl)C#N)C2=NN3CC[C@@H]([C@H]3[C@@H]2OC)O	JAD	2-chloro-4-[(3s,3as,4s)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3h-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile
+c1cc2c(cc1N)scn2	JAE	1,3-benzothiazol-6-amine
+Cc1cc(cc(c1NS(=O)(=O)c2ccc(cc2)OC)C)O	JAF	n-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
+CC1=NC2=C(CCCC2)C(=O)C1c3ccc(cc3)Oc4ccc(cc4)OC(F)(F)F	JAG	2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{h}-quinolin-4-one
+c1ccc(cc1)c2ccc(cn2)CN	JAH	(6-phenylpyridin-3-yl)methanamine
+CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O	JAI	n-({(1r,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetyl)-l-isoleucine
+c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCC(=O)O	JAJ	4-{2-[(1r)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid
+Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3	JAK	2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
+c1cc(c(cc1Cl)Cc2cc(ccc2O)Cl)O	JAL	4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol
+Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5cccc(c5)Cl)N	JAN	6-[(s)-amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1h)-one
+CCCCCCCCCCCCCCC[C@H](C)CO	JAO	(2s)-2-methylheptadecan-1-ol
+C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C(C)C)C(=O)N2)Cc4ccccc4	JAR	6-[(3s,4s)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+C[C@@H]1CC\C=C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C@H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)CO)OC)OC)O)O)C)OC	JAS	jaspisamide a
+c1cc(ccc1CCN)S(=O)(=O)O	JAT	4-(2-azanylethyl)benzenesulfonic acid
+CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3Cl)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	JAU	5-chloranyl-n2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2cccc(c2)O)c3ccccc3	JAV	4-fluoro-n'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide
+c1cc2c(cc[nH]2)cc1C(=O)N	JAW	1~{h}-indole-5-carboxamide
+C/C(=C(/C(=O)O)\O)/c1c[nH]c2c1cccc2	JAX	(e)-3-(1h-indol-3-yl)-2-oxidanyl-but-2-enoic acid
+c1ccc(c(c1)[C@@H]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[C@@H](Nc6ccccc6C5=O)c7ccccc7F)F	JAY	(2r)-2-(2-fluorophenyl)-3-[2-[4-[(2r)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one
+C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)OP(=O)(O)O	JAZ	6-phosphocyclophellitol
+CCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	JB1	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N	JB2	gdp-perosamine
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)NC(=O)C	JB3	gdp-n-acetylperosamine
+c1cc2c(cc1N)nccn2	JB5	quinoxalin-6-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCO[P@](=O)(OC[C@@H](CO[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)S)O)O)N	JB6	(2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-[2-[[(2s)-3-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol
+CC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Cc1ccc(cc1)Br	JB7	n-({(1s)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-l-glutamic acid
+B(c1ccc2cc[nH]c2c1)(O)O	JB8	1~{h}-indol-6-ylboronic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)/C=C\CN=C(N)N)O)O	JB9	~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-4-[[1-[[3-[(~{z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide
+C[C@@](C[C@H]1CN(C(=O)O1)c2ccc(cc2)C#CC3CC3)(C(=O)NO)S(=O)(=O)C	JBA	(2r)-3-{(5s)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)propanamide
+c1cc(cc(c1)C(=O)O)CSc2cccs2	JBB	3-(thiophen-2-ylsulfanylmethyl)benzoic acid
+c1cc(c(cc1/N=N/c2ccc(c(c2)C(=O)O)O)C(=O)O)O	JBC	5-[(e)-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid
+c1cc(c(nc1)N)[N+](=O)[O-]	JBE	3-nitropyridin-2-amine
+c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O)F	JBF	3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
+CN1CCN(CC1)CCOc2c(cc(c(c2Cl)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl	JBG	n-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-l-phenylalanine
+c1ccc2c(c1)C(NC=N2)O	JBH	3,4-dihydroquinazolin-4-ol
+COc1ccc(cc1)Nc2ncc3c(n2)n(c(n3)Nc4ccccc4F)C5CCCC5	JBI	9-cyclopentyl-n~8~-(2-fluorophenyl)-n~2~-(4-methoxyphenyl)-9h-purine-2,8-diamine
+c1cc(ccc1c2ccc3c(c2)C(=O)N(C3)[C@H](c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC6	JBJ	(2r)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2h-isoindol-2-yl}-n-(1,3-thiazol-2-yl)acetamide
+c1cc(c(c(c1)O)N)[N+](=O)[O-]	JBK	2-azanyl-3-nitro-phenol
+c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)O)c4ccccc4O)O	JBL	4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid
+c1cnoc1C(=O)N	JBN	1,2-oxazole-5-carboxamide
+Cc1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F	JBO	2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid
+c1cc2c(c(c1)F)C(NC=N2)O	JBQ	5-fluoranyl-3,4-dihydroquinazolin-4-ol
+c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O	JBR	4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid
+Cc1c(c(on1)C)c2ccc3c(c2)c(nc(n3)c4cnn(c4)CC(C)(C)O)N5CCOC[C@@H]5c6ccccc6	JBS	1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3s)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1h-pyrazol-1-yl)-2-methylpropan-2-ol
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N[C@H](C)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O	JBT	gdp-n-acetylperosamine-coenzyme a
+C([C@H]([C@@H](CO)O)O)C(=O)C(=O)O	JBU	(4r,5r)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid
+Cc1nc2c(cccc2n1c3ccc(s3)C(=O)NC4CC4)C#N	JBW	5-(4-cyano-2-methyl-1h-benzimidazol-1-yl)-n-cyclopropylthiophene-2-carboxamide
+C[C@@H](C(=O)O)N1C(=N/C(=C\c2ccc(cc2)O)/C1=O)CN	JBY	(2s)-2-{(4z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}propanoic acid
+COc1ccc2c(c1)sc(n2)C(=O)O	JBZ	6-methoxy-1,3-benzothiazole-2-carboxylic acid
+CCCC[C@@H](CCO)[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	JC1	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2s,3s)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+CC(C)C[C@@H](C(=O)N[C@@H](CCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	JC2	(2~{s})-4-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid
+CN1C[C@H](C[C@H](C1)NC2=NC3=C(CCC3)C(=O)N2C)c4ccccc4	JC3	3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-one
+c1ccc(c(c1)c2cc(cc(c2)[N+](=O)[O-])C(=O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	JC4	2'-(beta-d-galactopyranosyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic acid
+COc1c(cc(cc1OCCCN2Cc3ccccc3C2)CN)CN	JC5	[3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O	JC6	steviolbioside
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2cccc(c2c3cccc(c3)NS(=O)(=O)C)C(F)(F)F)CO)O)O	JC7	n-[2'-{[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide
+c1cc(ncc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4	JC8	6-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide
+CN[C@@]1(CCCCC1=O)c2ccccc2Cl	JC9	(2~{s})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
+Cc1ccc(cc1)S(=O)(=O)n2ccc3c2cccc3	JCB	n-(p-toluenesulfonyl)-indole
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccccc2c3cc(cc(c3)[N+](=O)[O-])C(=O)O)CO)O)O	JCD	2'-{[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid
+c1ccnc(c1)Cn2ccc3c2cc(cc3)c4cc(n[nH]4)N	JCE	5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{h}-pyrazol-3-amine
+Cc1ccc2cc(cc(c2n1)O)C(=O)N	JCF	8-hydroxy-2-methylquinoline-6-carboxamide
+C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C	JCG	(2r)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+COc1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N	JCH	3-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1~{h}-pyrazol-5-amine
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCC5	JCK	5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl	JCL	4-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl) butyl phosphate
+COc1cccc(c1)COC(=O)c2c[nH]nc2	JCQ	(3-methoxyphenyl)methyl 1~{h}-pyrazole-4-carboxylate
+c1ccc2c(c1)C(=CC3=[N]2[Ru]4567([C]8[C]4[C]5[C]6[C]78)(OC3=O)[O])N9CCN(CC9)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2	JCT	biotinylated ruthenium cyclopentadienide
+c1cnc(cc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4	JCW	2-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide
+C[C@H](c1ccccc1)[C@@H](C(=O)O)N	JCX	(2s,3r)-2-azanyl-3-phenyl-butanoic acid
+Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F	JCY	1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1h-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1h-indazol-3-yl)-n,n-dimethylmethanamine
+c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N	JCZ	3-(1~{h}-indol-6-yl)-1~{h}-pyrazol-5-amine
+CC(C)Oc1ccc(cc1)c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)O	JD1	[({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)
+c1ccnc(c1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JD2	5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+C[C@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N	JD3	(2s,3r)-2-azanyl-3-(1h-indol-3-yl)butanoic acid
+c1cc(ccc1c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)O)OC3CC3	JD5	[({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)
+c1cc(ccc1C#N)[C@@H]2CCCc3n2cnc3	JD7	4-[(5s)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
+CN1CCCC[C@@H]1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JD8	5-azanyl-3-[1-[[(2~{r})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+COc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	JDB	5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](C(C)C)NC(=O)[C@H]3Cc4ccc(cc4CN3)O	JDC	(3r)-7-hydroxy-n-{(2s)-1-[(3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
+CNC(=O)CN(C1CCN(CC1)c2ccccn2)C(=O)Cc3ccc(cc3)n4cccn4	JDD	n-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-n-(1-pyridin-2-ylpiperidin-4-yl)ethanamide
+COc1cc(cc(c1)c2cccnc2)COC(=O)c3c[nH]nc3	JDE	(3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{h}-pyrazole-4-carboxylate
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	JDF	steviol-19-o-glucoside
+CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5	JDG	2-cyclohexyl-7-methoxy-n-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3h-1,4-benzodiazepin-5-amine
+CN1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N	JDH	5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO	JDJ	23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCCC5	JDK	3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazol-5-amine
+c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)CO	JDM	5-{2-[2-(hydroxymethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+B(c1ccc2c(c1)cc[nH]2)(O)O	JDN	1~{h}-indol-5-ylboronic acid
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O	JDO	rebaudioside d
+Cc1cc2c(cccc2n1c3nc4c(c(n3)NCc5ccccc5)COCC4)C(=O)N	JDP	1-[4-(benzylamino)-7,8-dihydro-5h-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1h-indole-4-carboxamide
+c1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N	JDQ	3-[1-(phenylmethyl)indol-6-yl]-1~{h}-pyrazol-5-amine
+CSc1nc(c(c(n1)Cl)C=O)NCc2ccc(cc2)S(=O)(=O)N	JDR	4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide
+c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N\O)O	JDS	6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{z})-hydroxyiminomethyl]pyridin-3-ol
+CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	JDT	2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate)
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	JDV	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate
+CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3cccc(c3C(=O)O)OC	JDX	2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]benzoic acid
+CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	JDY	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate
+C[C@H](c1c[nH]c2c1c(ccc2)Cl)[C@H]3C(=O)N=C(O3)NC	JE0	(5s)-5-[(1r)-1-(4-chloranyl-1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one
+CC1(CCN(CC1)C2=NC=C(C(=O)N2)Sc3cccnc3C(F)(F)F)CN	JE1	2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3h)-one
+Cc1ccccc1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C	JE2	(4r)-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-n-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide
+C[C@H](c1c[nH]c2c1c(ccc2)F)[C@H]3C(=O)N=C(O3)NC	JE3	(5s)-5-[(1r)-1-(4-fluoranyl-1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one
+CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4Cl)Cl)C(=O)N2C)N	JE4	6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+Cc1cc(cc(n1)NC(=O)Cc2ccccc2)N3CC[C@@](C3=O)(C#N)C4CC4	JE6	~{n}-[4-[(3~{s})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide
+c1cc(c(c(c1)Cl)Cl)Sc2ccc3c(n2)[nH]c(n3)N	JE7	5-[(2,3-dichlorophenyl)sulfanyl]-3h-imidazo[4,5-b]pyridin-2-amine
+CN1CCC[C@@H](C1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JE8	5-azanyl-3-[1-[[(3~{s})-1-methylpiperidin-3-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+CC(=O)c1cc(c2n1ccc(c2)OC(=O)N(C)C)C(=O)Nc3cc(cc(c3F)c4cnn(c4)C5CC5)CO	JE9	3-acetyl-1-((3-(1-cyclopropyl-1h-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate
+C[C@H]1[C@H](C2(CCN(CC2)C3=Nc4c(c([nH]n4)c5ccnc(c5Cl)NC6CC6)C(=O)N3C)CO1)N	JEA	6-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1cc(cnc1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JEB	5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+Cc1ccc(cc1)c2cc(c3c(n[nH]c3n2)c4ccc(cc4)Br)C(=O)O	JED	3-(4-bromophenyl)-6-(4-methylphenyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCOCC5	JEE	5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+C[C@@H](COC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC(C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OCCOC)N	JEF	o-(o-(2-aminopropyl)-o'-(2-methoxyethyl)polypropylene glycol 500)
+C1C(CC1(C(=O)O)N)C(=O)O	JEG	trans-1-aminocyclobutane-1,3-dicarboxylic acid
+CC(C)N1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N	JEH	5-azanyl-3-[1-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+CN1C(=Cc2c(c(no2)c3ccccc3Cl)C1=O)c4ccc(cc4)CN(C)C	JEJ	3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5h)-one
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCCC5	JEK	5-azanyl-3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+Cc1cccc(c1)N2CCN(CC2)c3ccc(nn3)OC	JEN	3-methoxy-6-[4-(3-methylphenyl)-1-piperazinyl]pyridazine
+C[C@]12CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	JEO	(3~{z},5~{r},8~{r},9~{s},10~{r},13~{s},14~{s})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione
+c1ccc(cc1)CN2CCC[C@H](C2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N	JEQ	5-azanyl-3-[1-[[(3~{r})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+CCc1cc(cc(c1OC[C@H](CO)O)C)c2nc(on2)c3cc(nc(c3)OC)C4CCCC4	JER	(2~{s})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol
+COC(=O)COc1cccc(c1)COC(=O)c2c[nH]nc2	JET	[3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methyl 1~{h}-pyrazole-4-carboxylate
+CC(C)Oc1ccc(cc1C#N)c2nc(no2)c3cccc4c3CC[C@@H]4NCCO	JEU	5-[3-[(1~{s})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{h}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile
+CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3	JEV	n-{2-[(8s)-1,6,7,8-tetrahydro-2h-indeno[5,4-b]furan-8-yl]ethyl}propanamide
+c1ccc(c(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)C#N	JEW	2-[[6-(5-azanyl-1~{h}-pyrazol-3-yl)indol-1-yl]methyl]benzenecarbonitrile
+c1ccc(cc1)c2cc(sc2C(F)(F)F)c3nc(no3)c4cccc(c4)C(F)(F)F	JEX	5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
+CC(=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC	JEY	n-[2-(5-methoxy-2-phenyl-1h-indol-3-yl)ethyl]acetamide
+Cc1cccc(c1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccncc4	JF0	1-(5-((3'-methyl-[1,1'-biphenyl]-4-yl)oxy)pentyl)-3-(
+C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C	JF1	(1s,5s,8s,9ar)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2h-quinolizinium
+C[C@@H]1CCC[NH+]2[C@]1(C[C@@H](CC2)C(=C)C)C	JF2	(1r,5r,8r,9as)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2h-quinolizinium
+C[C@@H]1CCC[C@]2([NH+]1C[C@H](CC2)C(=C)C)C	JF4	(3r,5s,6r,9ar)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2h-quinolizinium
+c1ccc(cc1)COC(=O)c2c[nH]nc2	JF5	(phenylmethyl) 1~{h}-pyrazole-4-carboxylate
+c1ccc(cc1)c2c(non2)N	JF6	4-phenyl-1,2,5-oxadiazol-3-amine
+c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N	JF8	5-azanyl-3-(1~{h}-indol-6-yl)-1~{h}-pyrazole-4-carbonitrile
+c1c(onc1C(=O)N(C2CCCCC2)C3CCCCC3)C4CC4	JF9	n,n-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide
+c1ccc2c(c1)[nH]c(n2)CN3C=C(NC3=O)Cc4ccc(cc4Cl)Cl	JFA	1-[(1h-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2h-imidazol-2-one
+c1cc(cc2c1ccn2Cc3ccncc3)c4c(c([nH]n4)N)C#N	JFB	5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+C1(=C(NC(=O)NC1=O)N)Br	JFD	6-amino-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
+COc1cccc(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N	JFE	3-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-1~{h}-pyrazol-5-amine
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCC5	JFH	3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazol-5-amine
+CNCc1cccc(c1)Cl	JFJ	1-(3-chlorophenyl)-n-methylmethanamine
+COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5	JFK	(1s,6r)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one
+CS(=O)(=O)NCCc1ccccc1	JFM	n-(2-phenylethyl)methanesulfonamide
+C[C@H](COC)N	JFN	(2r)-1-methoxypropan-2-amine
+CCC(=O)Nc1nc(cs1)C	JFP	n-(4-methyl-1,3-thiazol-2-yl)propanamide
+C1CC(CCC1N)NCCCN	JFQ	trans-n-(3-aminopropyl)cyclohexane-1,4-diamine
+c1ccc2c(c1)ncn2c3ccc(cc3)CO	JFS	[4-(1h-benzimidazol-1-yl)phenyl]methanol
+c1cc(cnc1)Cn2cc(c3c2cc(cc3)c4c(c(n[nH]4)N)C#N)Cl	JFT	3-azanyl-5-[3-chloranyl-1-(pyridin-3-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+COC(=O)c1ccccc1Oc2ccc(cc2)N	JFV	methyl 2-(4-aminophenoxy)benzoate
+Cc1c2cc(ccc2[nH]n1)NS(=O)(=O)CCCCF	JFX	4-fluoro-n-(3-methyl-1h-indazol-5-yl)butane-1-sulfonamide
+CC[C@H](C)c1ccc(cc1)NS(=O)(=O)C	JFY	n-{4-[(2s)-butan-2-yl]phenyl}methanesulfonamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O	JFZ	4-nitrophenyl 6-deoxy-alpha-l-galactopyranoside
+c1ccc(cc1)CCCCCCC(=O)c2nnc(o2)c3ccccn3	JG1	7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one
+c1ccc(cc1)CCCCCCC(c2nnc(o2)c3ccccn3)(O)O	JG2	7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol
+c1ccc(cc1)C[C@@H]([C@H](C[N@]2CCC[C@H]2C(=O)O)O)N	JG3	1-[(2s,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-proline
+c1cc(sc1)c2[nH]ccn2	JG4	2-(thiophen-2-yl)-1h-imidazole
+CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)COCCOCCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)COCCOCCNC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1	JG5	(2s)-6-acetamido-2-[[2-[2-[2-[[4-carboxy-4-[[(4s)-4-carboxy-4-[[2-[2-[2-[4-[16-(1h-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]acetyl]amino]butanoyl]amino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl)N5CCN(CC5)CC	JG7	(2s,4r)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
+c1ccc2c(c1)c3c(o2)C(=O)NC=N3	JG8	benzofuro[3,2-d]pyrimidin-4(3h)-one
+CCNC(=O)Nc1cc(on1)C	JGA	n-ethyl-n'-(5-methyl-1,2-oxazol-3-yl)urea
+c1cc(c(cc1/C=C(\C#N)/C(=O)N)O)O	JGB	(~{e})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide
+CN(C)c1ccncc1	JGD	n,n-dimethylpyridin-4-amine
+C[C@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O	JGE	(r)-ketoprofen
+c1cc(ccc1CNC(=O)N2CCOCC2)C#N	JGG	n-[(4-cyanophenyl)methyl]morpholine-4-carboxamide
+[O][W]1234O[Ce]56789(O[W]%10%11(O1)(O2P12O%12%13[W]%14%15(O5)(O[W]5%16(O6)(O11[W]6(O%10)(O5)(O[W]5%10(O%11)(O22[W]%11(O3)(O5)(O[W]%12(O4)(O%14)(O[W]%133(O%15)(O[W]1(O%16)(O6)(O[W]2(O%11)(O%10)(O3)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])O[W]123(O[W]45(O7)(O1P16O7%10[W]%11%12(O8)(O[W]8%13(O9)(O11[W]9(O4)(O8)(O[W]48(O5)(O65[W]6(O2)(O4)(O[W]7(O3)(O%11)(O[W]%102(O%12)(O[W]1(O%13)(O9)(O[W]5(O6)(O8)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	JGH	1:2 ce-substituted keggin
+C[C@H](c1ccccc1)NC(=O)COC	JGJ	2-methoxy-n-[(1r)-1-phenylethyl]acetamide
+CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(onc4N)C)C(=O)C	JGK	~{n}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
+CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NN	JGM	{n}-[(2~{s})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide
+Cc1cc(c2c(c1CN3CC[C@@H](C[C@H]3CO)OC)cc[nH]2)C	JGN	[(2~{s},4~{s})-1-[(5,7-dimethyl-1~{h}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol
+c1cc2c(cc1C(=O)N3CCCCCC3)OCO2	JGP	(azepan-1-yl)(2h-1,3-benzodioxol-5-yl)methanone
+CCO[C@H]1CCN([C@@H](C1)c2ccc(cc2)C(=O)O)Cc3c4cc[nH]c4c(cc3OC)C	JGQ	4-[(2~{s},4~{s})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{h}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
+c1cc(cc(c1)NC(=O)c2ccno2)C(=O)O	JGS	3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid
+Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br	JGT	~{n}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{h}-imidazol-2-amine
+c1cc2c(cc1C(=O)N3CCOCC3)NNS2	JGV	(2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone
+CC1=Nc2ccccc2C(=O)C1c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F	JGW	2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{h}-quinolin-4-one
+Cn1ccc(n1)C(=O)NC[C@@H]2CCCO2	JGY	1-methyl-n-{[(2s)-oxolan-2-yl]methyl}-1h-pyrazole-3-carboxamide
+Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)c4ccc(cc4)S(=O)(=O)N)C)C#N	JGZ	4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide
+CCCCCCCCCCCCCCCC(=O)N(CCCC[C@@H](C(=O)O[C@H](C)CC(=O)N[C@H]1CCCCN(C1=O)O[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)NC(=O)[C@H]4COC(=N4)c5ccccc5O)O	JH0	6-(hydroxy-hexadecanoyl-amino)-2-{[(4s)-2-(2-hydroxy-phenyl)-4,5-dihydro-oxazole-4-carbonyl]-amino}-hexanoic acid 2-[(3s)-1-(tert-butyl-diphenyl-silanyloxy)-2-oxo-azepan-3-ylcarbamoyl]-(1s)-1-methyl-ethyl ester
+CCn1cc(cn1)C(=O)NCc2ccc(cc2)F	JH1	1-ethyl-n-[(4-fluorophenyl)methyl]-1h-pyrazole-4-carboxamide
+CC[C@]1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C	JH2	methyl (2e,6e)-9-[(2r,3s)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
+C/C(=C\CC/C(=C/C(=O)OC)/C)/CC[C@@H]1C(O1)(C)C	JH3	methyl (2e,6e)-9-[(2r)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
+CNc1ncccn1	JH4	n-methylpyrimidin-2-amine
+c1ccc(cc1)CN[n+]2cnn(c2)Cc3ccccc3	JH5	1-benzyl-4-(benzylamino)-1h-1,2,4-triazol-4-ium
+CN1C(=CC(=O)N1)Nc2ccccc2	JH7	1-methyl-5-(phenylamino)-1,2-dihydro-3h-pyrazol-3-one
+CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cccc4	JH8	2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{n},~{n}-dimethyl-ethanamide
+CC1CCN(CC1)c2ccc(cc2Cl)N	JHA	3-chloro-4-(4-methylpiperidin-1-yl)aniline
+CC1=C(Nc2cc(ccc2C1=O)Cl)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F	JHB	7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{h}-quinolin-4-one
+CC[C@H](C)[C@H]1CN(CCCN1C(=O)c2cc(ccc2n3nccn3)C)c4nc5cc(ccc5o4)Cl	JHC	[(2s)-2-[(2s)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2h-1,2,3-triazol-2-yl)phenyl]methanone
+COc1ccc(cc1OC)CN	JHD	1-(3,4-dimethoxyphenyl)methanamine
+CC1=C(N(c2ccccc2C1=O)O)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F	JHE	3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one
+c1ccc(cc1)CCCN([C@H]2CNC[C@@H]2NCc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N	JHG	4-{(3-phenylpropyl)[(3s,4s)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide
+C[C@@H]1[C@@H]2CC[C@]3([C@@H]4C[C@@H]5[C@H]([C@@H]4[C@H]([C@@H]1O3)C(=O)O2)[C@@H]6[C@@H](C=C5C)[C@H]([C@@H]([C@H]6O)C)O)C	JHH	cyclostreptin
+COc1ccc(cc1)NC(=O)Nc2ccncc2	JHJ	n-(4-methoxyphenyl)-n'-pyridin-4-ylurea
+CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cncc4	JHK	~{n},~{n}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O	JHM	2-deoxy-6-o-sulfo-alpha-d-glucopyranose
+c1c2c(cnc1CNC3CCN(CC3)C[C@@H]4CN5C(=O)C=CC6=C5N4C(=O)C=N6)OCCC2	JHN	(3~{r})-3-[[4-(3,4-dihydro-2~{h}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione
+Cn1cc(c(n1)C(=O)NC2CCCC2)Cl	JHP	4-chloro-n-cyclopentyl-1-methyl-1h-pyrazole-3-carboxamide
+CC(=O)NCC1(CCOCC1)c2ccccc2	JHS	n-[(4-phenyloxan-4-yl)methyl]acetamide
+CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N	JHT	7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine
+c1cc(c(cc1Cl)N)Nc2ccncc2	JHV	4-chloro-n~1~-(pyridin-4-yl)benzene-1,2-diamine
+c1cc(cnc1)c2nc3ccc4c(c3s2)C(=O)N(C=N4)C5CC5	JHW	8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one
+c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O	JHY	3-(5,6-dichloro-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid
+C[C@@H]1C(=O)[C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N	JHZ	(2r,4s,6r)-4-amino-4,6-dimethyl-5-oxotetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCCO	JI1	3-({(3s,4s)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol
+c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCN	JI2	n-{(3s,4s)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCc3ccc(cc3)Cl	JI3	n-{(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-(4-chlorobenzyl)ethane-1,2-diamine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F	JI4	n-{(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F	JI5	n-{(3r,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCc3cccc(c3)Cl	JI7	n-{(3r,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-(3-chlorobenzyl)ethane-1,2-diamine
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)O	JIA	(2~{r},3~{r},4~{r},5~{r})-2-[(1~{s},2~{s},3~{r},4~{s},6~{r})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-(aminomethyl)-3-azany l-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
+c1c(cc(c(c1F)F)F)O	JIF	3,4,5-tris(fluoranyl)phenol
+c1cc2c(cc1[N+](=O)[O-])CN[C@@H](C2)CNCCSC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	JIL	9-{5-s-[2-({[(3s)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-l-lyxofuranosyl}-9h-purin-6-amine
+CC(=O)OC[C@@H](CO)O	JIM	(2r)-2,3-dihydroxypropyl acetate
+Cc1cc(ccc1F)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C	JIN	6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCO	JJ1	n-[(1s)-1-{[(1s)-5-amino-1-[(2-cyclohexylethyl)carbamoyl]pentyl]carbamoyl}-2-hydroxyethyl]-10-hydroxydecanamide
+CN(C)CCN1C=Cc2c(ccn2Cc3ccc(c(c3)Cl)Cl)C1=O	JJ2	1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one
+COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O	JJ3	(3as,4r,9br)-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
+Cc1cnc(s1)NC(=O)CCC2CCCC2	JJ4	3-cyclopentyl-n-(5-methyl-1,3-thiazol-2-yl)propanamide
+c1cc(c(cc1Cn2ccc3c2CC=NC3=O)Cl)Cl	JJ5	1-[(3,4-dichlorophenyl)methyl]-7~{h}-pyrrolo[3,2-c]pyridin-4-one
+CC(=O)N1CCC(CC1)NCCOC	JJ7	1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one
+c1cc(c(cc1Cn2ccnc2)Cl)Cl	JJ8	1-[(3,4-dichlorophenyl)methyl]imidazole
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)c4ccccc4	JJA	n-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)Cc4ccccc4	JJB	n-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide
+CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)O)c3ccc(cc3)C#N)C(=O)C	JJD	2-[(4r)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4h-pyrimidin-3-yl]ethanoic acid
+CCN1C(=NN(C1=O)c2cc(c(cc2F)C(=O)Nc3c(cccc3Cl)F)O[C@@H](C)C(F)(F)F)CO	JJE	~{n}-(2-chloranyl-6-fluoranyl-phenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxidanylidene-1,2,4-triazol-1-yl]-5-fluoranyl-2-[(2~{s})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-benzamide
+c1ccc(cc1)SCCN2CCOCC2	JJG	4-[2-(phenylsulfanyl)ethyl]morpholine
+c1cc(c(cc1N2C[C@@H](OC2=O)CO)F)OCC3(CCN(CC3)c4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)O	JJH	cadazolid
+c1cc(cnc1)C(=O)SC[C@@H](C(=O)O)N	JJJ	s-(pyridin-3-ylcarbonyl)-l-cysteine
+c1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N	JJK	s-[(s)-hydroxy(pyridin-3-yl)methyl]-l-cysteine
+COc1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N	JJL	s-[(s)-hydroxy(5-methoxypyridin-3-yl)methyl]-l-cysteine
+Cc1cccc(c1)Nc2c3cnn(c3ncn2)C	JJM	1-methyl-n-(3-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC1(CCN(CC1)C)[C@@]23[C@@H](c4ccccc4C(=O)N2)c5ccccc5N3	JJN	(6~{a}~{r},11~{b}~{s})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{h}-indolo[2,3-c]isoquinolin-5-one
+Cn1c2ccccc2c3c1[C@H]4C[C@@H](C3)NC[C@H]4O	JJP	(2s,5s,6r)-7-methyl-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol
+C[C@@]12CC(N[C@@]1(Nc3c2cccc3)C)(C)C	JJQ	(3~{a}~{r},8~{b}~{s})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{h}-pyrrolo[2,3-b]indole
+CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(nc3)C#N)C(=O)C	JJS	5-[(6r)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile
+C1CC(=N)CN([C@@H]1C(=O)NC2CCNCC2)C(=O)O	JJT	(2~{s})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid
+CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3S(=O)(=O)C)C#N)C#N	JJV	(6s)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile
+CCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O	JJW	(2~{s},3~{s},4~{r})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol
+CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)N3CCN(CC3)C(C)C)c4ccc(cc4)C#N)C#N	JJX	(4r)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4h-pyrimidine-5-carbonitrile
+c1c2c(nc3c1C(=O)CCC3)CCCC2=O	JJY	3,4,6,7-tetrahydroacridine-1,8(2h,5h)-dione
+c1ccc2c(c1)cc3ccccc3c2C=NNC(=O)CCC(=O)Nc4cccc(c4)Cl	JJZ	4-[2-(anthracen-9-ylmethylidene)hydrazino]-n-(3-chlorophenyl)-4-oxobutanamide
+COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4	JK1	3-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-1-yl}-n-(3,4,5-trimethoxyphenyl)benzamide
+COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5F	JK2	3-{5-[(2-fluorophenyl)amino]-1h-indazol-1-yl}-n-(3,4,5-trimethoxyphenyl)benzamide
+C#CCN1CCN(CC1)c2c(cccc2Cl)NC(=O)c3ccc(o3)Br	JK3	5-bromo-n-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3F)F)(F)F	JK4	6-{[(3r,4r)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cc(cc(c3)Cl)F)(F)F	JK5	6-{[(3r,4r)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+c1ccc2c(c1)[C@H]3[C@H]([C@@H]([C@@H]2O3)O)NC(=O)C4CCC4	JK7	n-[(1s,2s,3s,4r)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide
+c1ccc(cc1)[C@H](CN)Oc2c3cc(ccc3on2)c4ccccc4Cl	JK8	(2~{r})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine
+CS(=O)(=O)N1C[C@@H]([C@H]2C[C@@H]1CC[C@H]2O)O	JKA	(1s,4r,5s,6r)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol
+c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])F	JKB	(2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
+c1ccc(c(c1)C(=O)O)S	JKE	2-sulfanylbenzoic acid
+Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5c(cccc5F)F)OC	JKF	6-[(r)-(4-chlorophenyl)(methoxy)(1-methyl-1h-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1h)-one
+c1cc(sc1)CNCc2ccc(cc2)O	JKG	4-({[(thiophen-2-yl)methyl]amino}methyl)phenol
+C1[C@@H](CN[C@@H]1C(=O)O)[NH3+]	JKH	4-amino-proline
+COC[C@@H]1C2(CCC(N1S(=O)(=O)C)CC2)O	JKJ	(1r,3r,4s)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol
+c1cc(cc(c1)Cl)CNCCS(=O)(=O)O	JKK	2-[(3-chlorobenzyl)amino]ethanesulfonic acid
+C1=CN(C(=O)NC1=O)[C@@H]2[C@@H]3[C@@H]([C@H](O2)CO)O[P@@](=O)(O3)O	JKM	1-[(2s,3as,4s,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4( 1h,3h)-dione
+CC(C)(c1ccc(cc1)C2=Nc3c(cc(cc3F)F)C(=O)N2)O	JKN	6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{h}-quinazolin-4-one
+c1c(cc(nc1Cl)Cl)C(=O)O	JKP	2,6-dichloropyridine-4-carboxylic acid
+CCc1c(c2c(ncnc2s1)N[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4	JKQ	(2~{r})-2-[[6-ethyl-5-(1~{h}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
+c1cc(ncc1N2CCCC2)C#N	JKS	5-(pyrrolidin-1-yl)pyridine-2-carbonitrile
+CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]2C[C@H](N(C2)C(=O)CCCc3ccccc3)C(=O)N4CCC[C@H]4[C@H](N)O	JKT	tert-butyl n-[[1-[(3s,5s)-5-[(2s)-2-[azanyl(oxidanyl)methyl]pyrrolidin-1-yl]carbonyl-1-(4-phenylbutanoyl)pyrrolidin-3-yl]-1,2,3-triazol-4-yl]methyl]carbamate
+c1cc(ccc1c2cc([nH]n2)N)Cl	JKV	3-(4-chlorophenyl)-1h-pyrazol-5-amine
+CN1CCC(CC1)CNC2=NC(=O)C(=S2)Cc3csc(n3)c4ccc(cc4)OC(F)(F)F	JKW	2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one
+CS(=O)(=O)NCc1ccc(cc1)Cl	JKY	n-[(4-chlorophenyl)methyl]methanesulfonamide
+C1CC2=C(C1)NC(=O)C=C2C(F)(F)F	JKZ	4-(trifluoromethyl)-1,5,6,7-tetrahydro-2h-cyclopenta[b]pyridin-2-one
+Cc1ccc(cc1)Sc2c(cccn2)C(=O)O	JL1	2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid
+COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4cccc(c4)CCC#N	JL2	3-[3-[2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile
+Cc1nc(cs1)c2ccc(s2)C(=O)O	JL4	5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
+CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4cc(c(c(c4C)Cl)O)N5CCN(CC5)C	JL5	(2~{r})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
+c1cc(ccc1c2nc(cs2)C(=O)O)C(F)(F)F	JL7	2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
+CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)O	JL8	(2~{r})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
+c1cnccc1CN2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3	JL9	2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one
+c1cc(ccc1C(=O)O)N2CCCCC2	JLA	4-(piperidin-1-yl)benzoic acid
+CCc1c(c2c(ncnc2s1)O[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4	JLB	(2~{r})-2-[6-ethyl-5-(1~{h}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid
+CN1CC[C@H]([C@@H](C1)CO)c2ccc(cc2)F	JLD	[(3s,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
+CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc5c4cc[nH]5	JLE	(2~{r})-2-[[6-ethyl-5-(1~{h}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
+c1cc(sc1)c2nc(cs2)C(=O)O	JLG	2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid
+CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)OCCN5CCN(CC5)C	JLH	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
+CC(=CCOc1cc(ccc1C#N)Nc2nccc(n2)OC)C	JLJ	4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile
+CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4ccccc4C	JLK	(2~{r})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
+Cc1c2ccccc2oc1C(=O)O	JLM	3-methyl-1-benzofuran-2-carboxylic acid
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)O	JLN	5-(formylamino)-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid
+C/C(=C\C=O)/C=C/c1cc2c3c(c1)CCCN3CCC2	JLO	(2e,4e)-3-methyl-5-(2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal
+Cc1c(c(c(cn1)CO)/C=N/CCCC[C@@H](C(=O)O)N)O	JLP	(2s)-2-azanyl-6-[e-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O)O	JLS	(15z)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide
+C(CP(=O)(O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CP(=O)(O)O)O)O)O	JLT	3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-d-glycero-d-gulo-octitol
+CNC(=S)NC1CCCCC1	JLV	n-cyclohexyl-n'-methylthiourea
+Cc1ccc(c(c1C(=O)N(C)C)O)NC2=NS(=O)(=O)N=C2N[C@@H](c3ccc(o3)C)C(C)(C)C	JLW	3-[[4-[[(1~{r})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{n},~{n},6-trimethyl-2-oxidanyl-benzamide
+COc1ccc(cc1)C2=NCCc3c2ccs3	JLY	4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine
+[H]/N=C(/c1ccc(c(c1)F)C)\N	JLZ	3-fluoro-4-methylbenzenecarboximidamide
+c1ccc2c(c1)c3c4n2[Ru]5678(C9C5C6C7C89)([N]1=C4C(=CC(=C1)F)C1=C3C(=O)NC1=O)C#[O+]	JM1	fluorinated pyridocarbazole cyclopentadienyl ru(co) complex
+[H]/N=C(\CSC)/NCCC[C@@H](C(=O)O)N	JM2	n~5~-[2-(methylsulfanyl)ethanimidoyl]-l-ornithine
+[H]/N=C(/CCSC(C)C)\NCCC[C@@H](C(=O)O)N	JM4	n~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-l-ornithine
+[H]/N=C(/CSCCC)\NCCC[C@@H](C(=O)O)N	JM5	n~5~-[2-(propylsulfanyl)ethanimidoyl]-l-ornithine
+[H]/N=C(/CCCSC)\NCCC[C@@H](C(=O)O)N	JM6	n~5~-[4-(methylsulfanyl)butanimidoyl]-l-ornithine
+[H]/N=C(\CSCC)/NCCC[C@@H](C(=O)O)N	JM7	n~5~-[2-(ethylsulfanyl)ethanimidoyl]-l-ornithine
+[H]/N=C(\CCSCC)/NCCC[C@@H](C(=O)O)N	JM8	n~5~-[(3-(ethylsulfanyl)propanimidoyl]-l-ornithine
+c1c2c(cc(c1Cl)Cl)n(cn2)CCCCO	JMA	4-(5,6-dichloro-1h-benzimidazol-1-yl)butan-1-ol
+CCC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2	JMB	(3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium
+CN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N	JMC	[(2~{r},3~{r},4~{r},5~{r})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{h}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1cc(ccc1CCO)C#N	JMD	4-(2-hydroxyethyl)benzonitrile
+c1ccc(cc1)c2ccc(s2)C(=O)O	JMG	5-phenylthiophene-2-carboxylic acid
+[H]/N=C\1/C=CN(C(=O)N1C)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	JMH	3-methylcytidine- 5'-monophosphate
+CSc1nnc(s1)NC(=O)c2ccco2	JMJ	n-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
+c1ccc2c(c1)c(c[nH]2)CN3CCN(CC3)c4nc5ccccc5s4	JMK	2-[4-(1~{h}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3	JMM	[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
+Cc1ccc(cc1C)O[C@H]2CCN(C[C@@H]2O)CC#C	JMN	(3~{s},4~{s})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol
+CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(=O)O	JMP	2-{[3-(1-methylethoxy)phenyl]carbamoyl}benzoic acid
+c1c(c2c([nH]1)C(=O)NC=N2)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O	JMQ	7-(((2r,3r,4s)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3h-pyrrolo[3,2-d]pyrimidin-4(5h)-one
+Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl	JMS	2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid
+c1ccc2c(c1)nc(s2)N3CCN(CC3)Cc4c[nH]c5c4cc(cc5)O	JMT	3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{h}-indol-5-ol
+c1cc(cc(c1)Cl)OCC(=O)O	JMV	(3-chlorophenoxy)acetic acid
+c1cc2c(cc1O)c(c[nH]2)CN3CCN(CC3)c4nc5cc(ccc5s4)Cl	JMW	3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{h}-indol-5-ol
+CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cccc(c3O2)F)CO	JMY	1-[(3s,3as,8bs)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1h-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one
+c1cc2c(cc1c3ccnc(n3)N)[nH]nc2N	JMZ	6-(2-aminopyrimidin-4-yl)-1h-indazol-3-amine
+c1ccc2c(c1)[C@@H]3C[N@](S2(=O)=O)CC(=O)N3	JN1	(6r)-5,6-dihydro-1h-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3h)-trione
+c1cc(cc(c1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3ccc(cc3)F	JN2	3-(4-fluorophenyl)-~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	JN3	chenodeoxycholic acid
+C=CNC(=O)N1CCc2c(sc(c2C(=O)OC=C)NC(=O)Cc3ccccc3)C1	JN4	ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
+c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4	JN5	(2s)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile
+C=COC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1	JN7	3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate
+CCNC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1	JN8	cyclopentyl 6-(ethylcarbamoyl)-2-[(thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
+c1ccc(cc1)S(=O)(=O)NCc2cccs2	JNA	n-[(thiophen-2-yl)methyl]benzenesulfonamide
+c1ccc(cc1)c2ccc(cc2)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	JNB	~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-phenyl-benzamide
+CCc1cc2c(s1)N=CNC2=O	JND	6-ethylthieno[2,3-d]pyrimidin-4(3h)-one
+Cc1cccc(n1)NCc2ccccc2	JNE	6-methyl-~{n}-(phenylmethyl)pyridin-2-amine
+C[N@@](c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4	JNF	n-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-n-methylpyrimidin-2-amine
+c1cc(ccc1SCC(=O)O)Cl	JNG	[(4-chlorophenyl)sulfanyl]acetic acid
+c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)N3CCC[C@H]3CN)N	JNH	1-[2-(s)-amino-3-biphenyl-4-yl-propionyl]-pyrrolidine-2-(s)-carbonitrile
+c1ccc(cc1)CN(c2ccccc2c3cccc(c3)c4cnc(nc4)N5CCNCC5)c6ccnc(n6)N	JNI	~{n}4-(phenylmethyl)-~{n}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine
+CN(C)Cc1nccn1c2ccc(c(c2)F)c3ccc4c(c3F)n(nc4C(=O)N)c5ccc6c(c5)c(no6)N	JNJ	1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1h-indazole-3-carboxamide
+COC1CCC(CC1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccc(cc4)F	JNK	n-{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl}-4-methoxycyclohexanecarboxamide
+CCCc1ccc(c(c1O)C(=O)C)O	JNM	1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one
+c1cc(c(cc1C(=O)NCCc2cc(no2)C(=O)NO)Cl)Cl	JNN	5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{n}-oxidanyl-1,2-oxazole-3-carboxamide
+CNC(=O)CN1CCC(CC1)Nc2nccc(n2)c3cnc4n3cccc4	JNO	2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-n-methylacetamide
+CC1(CC(=O)c2ccc(cc2O1)O)C	JNP	7-hydroxy-2,2-dimethyl-2,3-dihydro-4h-1-benzopyran-4-one
+c1ccc(cc1)/C=C\c2ccc3c(c2C(=O)O)OCO3	JNS	5-[(z)-2-phenylethenyl]-1,3-benzodioxole-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)N	JNT	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
+CC(=O)Cc1ccc(c(c1)Cl)Cl	JNV	1-(3,4-dichlorophenyl)propan-2-one
+c1ccc(c(c1)C(=O)N[C@H]2CCC(=O)NC2=O)C(=O)O	JNW	2-[[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid
+CC1=CC(=C(C(=O)N1)C#N)C(F)(F)F	JNY	6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
+c1ccc2c(c1)c(n[nH]2)N	JNZ	1h-indazol-3-amine
+Cn1c(ccn1)C(=O)NCc2cccs2	JO1	1-methyl-n-[(thiophen-2-yl)methyl]-1h-pyrazole-5-carboxamide
+c1cc(c(cc1[N+](=O)[O-])C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O	JO2	2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid
+CC(CC(=O)O)C(=O)O	JO3	(2r)-2-methylbutanedioic acid
+c1ccc(cc1)Oc2ccc(cc2)C(=O)O	JO4	4-phenoxybenzoic acid
+c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O	JO5	4-azanyl-2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
+CO[C@H]1CN([C@@H]2CC[C@H]([C@H]1C2)O)S(=O)(=O)C	JO7	(1r,4r,5r,6r)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol
+c1cc(c(c(c1)N)C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O	JO8	3-azanyl-2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid
+CO[C@@H]1CC[C@@H]2C[C@H]1[C@H](CN2S(=O)(=O)C)OC	JOA	(1r,4r,5r,6r)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane
+c1cc2c(cc1N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O	JOB	5-azanyl-2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
+C1CC2(CCC1N3[C@H]2COC3=O)O	JOD	(5s,8r,8as)-8-hydroxyhexahydro-3h-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one
+c1cc(c(c(c1)[N+](=O)[O-])C(=O)O)C(=O)N[C@H]2CC(=O)NC2=O	JOE	2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid
+c1ccc(cc1)NC(=O)N2C[C@@H]([C@@H]3C[C@H]2CC[C@@H]3O)O	JOG	(1r,4r,5r,6s)-4,6-dihydroxy-n-phenyl-2-azabicyclo[3.3.1]nonane-2-carboxamide
+c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)[C@H]3CC(=O)NC3=O	JOH	2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione
+c1nc(c(n1CC(=S)N)Cl)Cl	JOJ	2-(4,5-dichloro-1h-imidazol-1-yl)ethanethioamide
+c1ccc(cc1)CCC(=O)N[C@H]2CC(=O)NC2=O	JOK	~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide
+c1cc(ccc1C(F)(F)F)NC2=NNC(=S)S2	JOM	5-{[4-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2(3h)-thione
+C1C[C@H](NC1)COC(=O)N[C@H]2CC(=O)NC2=O	JON	[(2~{s})-pyrrolidin-2-yl]methyl ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
+C[C@H](CNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)O	JOP	n-[(1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl]-n'-[(2r)-2-hydroxypropyl]thiourea
+c1cc(ccc1CN)COC(=O)N[C@H]2CC(=O)NC2=O	JOQ	[4-(aminomethyl)phenyl]methyl ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
+CS(=O)(=O)Nc1ccc(cc1C(=O)O)F	JOR	5-fluoranyl-2-(methylsulfonylamino)benzoic acid
+C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](/C=C\C=C\C[C@@H]1O)C)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O	JOS	(2s,3s,4r,6s)-6-{[(2r,3s,4r,5r,6s)-6-{[(4r,5s,6s,7r,9r,10s,12e,14z,16r)-4-(acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-12,14-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2h-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2h-pyran-3-yl 3-methylbutanoate
+c1ccc(cc1)CC(=O)N[C@H]2CC(=O)NC2=O	JOT	~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide
+CC(C)(CO)NC(=O)c1cccc(c1)Cl	JOV	3-chloro-n-(1-hydroxy-2-methylpropan-2-yl)benzamide
+c1cc(ccc1CNC(=O)CCC(=O)O)COC(=O)N[C@H]2CC(=O)NC2=O	JOW	4-[[4-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid
+c1cnn(c1)Cc2ccc(cc2)C#N	JOY	4-[(1h-pyrazol-1-yl)methyl]benzonitrile
+c1ccc2c(c1)CCNC2=O	JOZ	3,4-dihydroisoquinolin-1(2h)-one
+c1cc(c(cc1NC(=O)N2CCOCC2)Cl)Oc3ccc(cc3O)Cl	JP1	n-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]morpholine-4-carboxamide
+c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)O	JP2	2-amino-4-oxo-1,4-dihydropteridine-7-carboxylic acid
+c1cc(oc1)CNC(=O)c2cnc3c(n2)N=C(NC3=O)N	JP3	2-amino-n-(furan-2-ylmethyl)-4-oxo-3,4-dihydropteridine-7-carboxamide
+c1ccc(c(c1)CO)N2CCOCC2	JP4	[2-(morpholin-4-yl)phenyl]methanol
+c1ccc(cc1)COC(=O)N[C@H]2CC(=O)NC2=O	JP5	(phenylmethyl) ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
+COc1ccc2c(c1)OC[C@H]3[C@H]2N4CCC(=O)N4C3	JP7	(6ar,12ar)-3-methoxy-6a,10,11,12a-tetrahydro-6h,7h,9h-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one
+C1C[C@@H](NC1)COC(=O)N[C@H]2CCC(=O)NC2=O	JP8	[(2~{r})-pyrrolidin-2-yl]methyl ~{n}-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
+Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	JPA	4-(2,4-dichlorophenoxy)-2'-methylbiphenyl-3-ol
+c1c(cc(c(c1Cl)C(=O)N[C@H]2CC(=O)NC2=O)Cl)Cl	JPB	~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide
+CC(C)N(c1cc(sc1C(=O)O)c2ccccc2)C(=O)c3ccc(cc3Cl)Cl	JPC	3-[(2,4-dichlorobenzoyl)(isopropyl)amino]-5-phenylthiophene-2-carboxylic acid
+CC[C@@H]([C@H]1C2(CCC(N1C(=O)OC)CC2)O)O	JPD	methyl (1s,3s,4r)-4-hydroxy-3-[(1s)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
+c1cc(cnc1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N	JPE	[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-pyridin-3-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
+CC(=O)c1ccccc1Oc2ccccc2	JPG	1-(2-phenoxyphenyl)ethan-1-one
+CC1=CC(=O)N=C(N1)CCn2cc(nn2)c3ccc4c(c3)OCCO4	JPH	2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{h}-pyrimidin-4-one
+c1ccc(cc1)CCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	JPJ	2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
+Cc1cccc(c1)CC(=O)NCc2cc(n3c(n2)cc(n3)C4CCOCC4)O	JPK	2-(3-methylphenyl)-~{n}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide
+c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl	JPL	5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
+c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	JPM	5-benzyl-2-(2,4-dichlorophenoxy)phenol
+c1ccc(cc1)CCCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	JPN	2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	JPP	piperacillin (open form)
+CC(=CC(=O)N[C@H]1CC(=O)NC1=O)C	JPQ	~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
+Cc1ccc(cc1Cl)NC(=O)NCCSCc2ccc(o2)CN(C)C	JPR	1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea
+c1c(sc2c1[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)CCC3CC3	JPS	(4r,6r,7s)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
+c1cscc1CC2=C(C(=O)C=C(O2)CO)O	JPT	6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one
+c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H](C3)NC[C@@H]4O	JPV	(2r,5r,6s)-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol
+C1CC(=O)NC(=O)[C@H]1NC(=O)OCC2CCC(CC2)N	JPW	(4-azanylcyclohexyl)methyl ~{n}-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
+CC(=O)NCc1ccc2ccc3cccc4c3c2c1cc4	JPY	n-(pyren-1-ylmethyl)acetamide
+c1ccc2c(c1)C(=O)N=CN2	JPZ	quinazolin-4(1h)-one
+Cc1c(sc-2c1C(=N[C@H](c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C	JQ1	(6s)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
+CCC1=C(C2=CC3=N/C(=C\c4c(c(c([nH]4)/C=C\5/C(=C(C(=O)N5)C)CC)C)CCC(=O)O)/C(=C3CCN2C1=O)CCC(=O)O)C	JQ2	3-[2-[(~{z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CC[C@@H]([C@H]1C2(CCC(N1S(=O)(=O)C)CC2)O)O	JQ4	(1s,3s,4r)-3-[(1s)-1-hydroxypropyl]-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol
+CCOP(=O)(C(=O)CCC(=O)O)O	JQ5	4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid
+c1ccc2c(c1)[C@H](CN(S2(=O)=O)CC(=O)N)O	JQ7	2-[(4r)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1h)-yl]acetamide
+c1ccc(cc1)C#CC(=O)O	JQ8	phenylpropiolic acid
+c1ccc(cc1)CN2[C@@H]3CC[C@@H]4C[C@H]3[C@H](CN4)OC2=O	JQA	(4r,4ar,6r,8ar)-1-benzyloctahydro-2h-6,4-(epiminomethano)-3,1-benzoxazin-2-one
+c1cc(c(nc1)O)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JQB	5-azanyl-3-[1-[(2-oxidanylpyridin-3-yl)methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+COc1ccc2c(c1)OC[C@@H]3[C@H]2N4CCC(=O)N4C3	JQD	(6as,12ar)-3-methoxy-6a,10,11,12a-tetrahydro-6h,7h,9h-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one
+c1cc2c(cc1Cl)c(c(s2)Cl)CC(=O)O	JQE	2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid
+CC(C)CC(=O)Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	JQF	3-methyl-n-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)butanamide
+CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(=O)O)O)NC=O	JQG	(2~{r})-~{n}-[3-[2-[[(2~{s})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide
+Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5(C(=C4)c6ccccc6)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C	JQH	prfmn cofactor and phenylpropiolic acid adduct
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)CCc5ccccc5)(C)C	JQK	[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-[(16~{r})-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-16-(2-phenylethyl)-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]pentyl] dihydrogen phosphate
+Cc1ccc(cc1)SCC(=O)c2ccc3c(c2)CC(=O)N3	JQN	5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one
+Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F)C	JQP	n-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidin-2-amine
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)[C@H](Cc5ccccc5)F)(C)C	JQQ	[(2~{r},3~{s},4~{s})-5-[(16~{s})-16-[(1~{s})-1-fluoranyl-2-phenyl-ethyl]-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C\N)C(=O)O	JQS	5-[(z)-(aminomethylidene)amino]-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid
+Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4Cl)CN5C[C@@H](C[C@H]5C(=O)O)O)OCc6cccc(c6)C#N	JQT	(2~{s},4~{r})-1-[[5-chloranyl-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid
+C[C@@H]1[C@H](C/C=C/c2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C@H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1CC([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC(=O)C)OC(=O)[C@@H](COC)OC)OC)O)S)C)OC)OC	JQV	mycalolide b
+c1cc(c(c2c1c(c[nH]2)c3ccnc(n3)N)Cl)Cl	JQW	4-[6,7-bis(chloranyl)-1~{h}-indol-3-yl]pyrimidin-2-amine
+Cc1ccc(cc1C)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F	JQY	n-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidin-2-amine
+CC1=CC2=[N](C3=C4(C(=C([C@H]5[N]4=C2C(=C1C)C(C5)(C)C)C(=O)O)c6ccccc6)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	JQZ	prfmn cofactor and phenylpropiolic acid
+c1c[nH]c2c1c(nc(n2)N)N3CCCC3	JR2	4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=CC=C(C=C7C(=O)N6CC(=O)Nc8ccc(cc8)S(=O)(=O)N)O)Cl)C	JR3	2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{n}-(4-sulfamoylphenyl)ethanamide
+Cc1cc2c(cc1S(=O)(=O)NCc3ccc(cc3)F)N(C(=O)N2C)C	JR4	~{n}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide
+Cn1c(c2c(n1)CCC2)NC(=O)[C@@H]3CCCN3S(=O)(=O)c4ccc(cc4)F	JR5	(2~{s})-1-(4-fluorophenyl)sulfonyl-~{n}-(2-methyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide
+Cn1c(c2c(n1)CCC2)NC(=O)CSc3ccc(cc3)OC	JR6	2-(4-methoxyphenyl)sulfanyl-~{n}-(2-methyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)ethanamide
+CCC(=O)Nc1nc(cs1)c2ccc(cc2)Cl	JR7	n-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
+CC12C3([Ir]1456(C2(C4(C53C)C)C)[N]7=CC=C(C=C7C(=O)[N]6(CCCc8ccc(cc8)S(=O)(=O)N)Cl)O)C	JR8	4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide
+c1ccc(cc1)CNc2c(nc3n2ccnc3N)Cc4cc5c(cc4Br)OCO5	JR9	n~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine
+Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C=C\3/C(=C(C(=N3)/C=C\4/[C@H]([C@H](C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	JRA	3-[2-[(~{z})-[5-[(~{z})-[(3~{s},4~{r})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+c1ccc(c(c1)N)N2CCNCC2	JRB	2-piperazin-1-yl-aniline
+CCC(=O)N(Cc1cc(no1)C)c2nc(cs2)c3ccccc3	JRD	n-[(3-methyl-1,2-oxazol-5-yl)methyl]-n-(4-phenyl-1,3-thiazol-2-yl)propanamide
+C[C@@H](c1c(cncc1Cl)c2cc3c(nc2)N(CCC3)C(=O)N)O	JRE	6-[5-chloranyl-4-[(1~{s})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{h}-1,8-naphthyridine-1-carboxamide
+CSCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O	JRG	n~2~-{[(1s)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5([C@@H](C4)C)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C	JRH	prfmn cofactor and crotonic acid adduct
+c1c(nnn1CCCCN)CCn2nc3c(n2)c(c(c(c3Br)Br)Br)Br	JRJ	4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine
+Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5(C(=C4C(=O)O)C)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C	JRK	prfmn cofactor and butynoic acid adduct
+CCC(=O)N(CC(=O)OC)c1nc(cs1)c2ccccc2	JRM	methyl n-(4-phenyl-1,3-thiazol-2-yl)-n-propanoylglycinate
+Cc1cc2c3c(c1C)C(C[C@H]([n+]3c4c([n+]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)CCc5c(c(c(c(c5F)F)F)F)F)(C)C	JRN	prfmn cofactor and pentafluorocinnamic acid adduct
+CC1=Cc2cc3c(cc2C(=O)O1)c(cc(c3O)O)O	JRO	6,7,9-trihydroxy-3-methyl-1h-benzo[g]isochromen-1-one
+CCOC(=O)C[C@@H]1C(=O)NCCN1Cc2ccc(cc2)C	JRQ	ethyl 2-[(2~{r})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F	JRR	6-{[(3r,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F	JRS	6-{[(3s,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+c1ccc(cc1)CCNC(=O)Cn2cnc3c2cccc3	JRT	2-(benzimidazol-1-yl)-~{n}-(2-phenylethyl)ethanamide
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	JRV	methyl 6-s-beta-d-glucopyranosyl-6-thio-beta-d-glucopyranoside
+Cc1ccc2c(c1)CN[C@@]3(C[C@]2(N(C3=O)C4CCC4)O)C(C)C	JRW	(1~{s},10~{s})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
+CCCCCCNC(=O)O	JRY	hexylcarbamic acid
+Cc1ccc(c2c1CCC2)OC[C@H]([C@H](C)NC(C)C)O	JRZ	(2s,3s)-1-[(7-methyl-2,3-dihydro-1h-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol
+CCOC(=O)c1c2c(ccc(c2CN(C)C)O)oc1c3ccccc3	JS1	ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
+C1=Nc2c(nc(n2CCCCOP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](O3)O)O)O)N)C(=O)N1	JS2	5-o-[(r)-{[(s)-[4-(8-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-  ribofuranose
+Cc1c(sc(n1)Cl)C(=O)Nc2ccc3ccccc3c2	JS3	2-chloro-4-methyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H](C([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)OCCNCCCN)O)N	JS4	(2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3r,4r,5s)-4-(2-(3-aminopropylamino)ethoxy)-5-((1r,2r,3s,5r,6s)-3,5-diam ino-2-((2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-2-( hydroxymethyl)-tetrahydrofuran-3-yloxy)-tetrahydro-2h-pyran-3,4-diol
+C1CC(CNC1)CNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)N)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N	JS5	(2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3r,4r,5s)-5-((1r,2r,3s,5r,6s)-3,5-diamino-2-((2s,3r,4r,5s,6r)-3-amino-4 ,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-2-(hydroxymethyl)-4-(2-((r)-piperidi n-3-ylmethylamino)ethoxy)-tetrahydrofuran-3-yloxy)-tetrahydro-2h-pyran-3,4-diol
+c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)N)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N	JS6	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-2-o-{2-[(2-phenylethyl)amino]ethyl}-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+COc1c(c(ncn1)NCCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-]	JS7	4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
+CCCCCCCCCCC[C@H](NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	JSA	5'-o-{[(1r)-1-hydroxydodecyl]sulfamoyl}adenosine
+CC(C)[C@]12C[C@](c3ccccc3CN1)(N(C2=O)C4CC4)O	JSB	(1~{s},10~{s})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C	JSC	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
+CC1([C@@H](N[C@H](S1)CNC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C	JSD	[(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
+CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C	JSE	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
+CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)OP(=O)(O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@H](CO)O)O)O)O)O)OP(=O)(O)O)O)O)O)O[C@@]6(C[C@H]([C@H]([C@H](O6)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC	JSG	(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-[(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-5-[(2~{s},3~{s},4~{r},5~{r},6~{r})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-4-[(2~{r},3~{s},4~{r},5~{s},6~{r})-6-[(1~{s})-2-[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-3-oxidanyl-5-[[(3~{r})-3-oxidanyltetradecanoyl]amino]-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5([C@@H](C4)c6ccccc6)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C	JSH	prfmn cofactor and cinnamic acid adduct
+CC1(C=C(C(N1O)(C)C)CSSP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C	JSJ	5'-o-[(s)-hydroxy{[(s)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine
+[H]/N=N/NCCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O	JSK	(2~{s},3~{s},4~{r})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol
+CC1=NC(=O)N[C@@H](C1C(=O)N(C)C)c2ccc(cc2F)F	JSN	(6~{s})-6-[2,4-bis(fluoranyl)phenyl]-~{n},~{n},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{h}-pyrimidine-5-carboxamide
+CN1C=C(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	JSP	(1r)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N	JSQ	2-fluoro-atp
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2OCCNCCc3cccc(c3)F	JSR	6-{[(3r,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F	JSS	6-{[(3s,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C=CCCN=C1NN=C(CS1)c2ccc(cc2)Cl	JST	but-3-enyl-[5-(4-chloro-phenyl)-3,6-dihydro-[1,3,4]thiadiazin-2-ylidene]-amine
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	JSV	methyl 2-s-beta-d-glucopyranosyl-2-thio-beta-d-glucopyranoside
+Cc1nnc(o1)N2CCC(CC2)C(=O)N3[C@@H](CCN3)c4cc(cc(c4)F)F	JSW	[(5~{s})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)O	JSX	3-(4-hydroxyphenyl)benzoic acid
+CCOC(=O)c1c(c2c(o1)cccc2OC[C@H](CNC(C)C)O)C	JSZ	ethyl 4-({(2s)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)-3-methyl-1-benzofuran-2-carboxylate
+COCCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)CCl	JT0	2-chloro-n-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-n-(3-methoxypropyl)acetamide
+c1cc(ccc1C(F)(F)F)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(c(c3)F)OC(F)(F)F)c4nc5c(s4)cnc(n5)C6CC6	JT1	(2r)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-n-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide
+[H]/N=C(\c1cc2c(cc(cc2s1)CS)N[C@@H](C)CN)/N	JT2	4-[[(2~{s})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N(CCO)CC(=O)NO	JT5	n~2~-(biphenyl-4-ylsulfonyl)-n-hydroxy-n~2~-(2-hydroxyethyl)glycinamide
+c1cc(ccc1C#N)c2ccc(cc2)OCCC(=O)NO	JT6	3-[(4'-cyanobiphenyl-4-yl)oxy]-n-hydroxypropanamide
+B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Cl)OC)(O)O	JT7	n-[(1r)-1-borono-3-methylbutyl]-n~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-l-leucinamide
+c1ccc(cc1)C[C@H]2[C@H](CC(=O)N[C@H](C(=O)NCCCCCCCCCCCCCC(=O)N2)Cc3ccccn3)O	JT8	(3~{s},7~{s},8~{s})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione
+c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O	JTA	4-hydroxy-8-nitroquinoline-3-carboxylic acid
+c1cc(c(cc1Cl)c2cn[nH]n2)O	JTB	4-chloranyl-2-(2~{h}-1,2,3-triazol-4-yl)phenol
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC2CC2)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTD	n-[(2s,3s,4r)-1-{[4-o-(cyclopropylmethyl)-alpha-d-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+Cc1cc(cc(c1)c2ccc(cc2F)[C@@H](C)C(=O)O)C	JTE	(2~{r})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid
+CC1=Cc2cccc(c2NC1=O)NCCN(C)C	JTF	8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC=C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTG	n-[(2s,3s,4r)-3,4-dihydroxy-1-{[4-o-(prop-2-en-1-yl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
+CC(C)C1=CC=C(C(=O)C(=C1)O)O	JTH	2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTJ	n-[(2s,3s,4r)-3,4-dihydroxy-1-({4-o-[(4-methylphenyl)methyl]-alpha-d-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide
+C[C@H](c1ccc(c(c1)F)c2cc(cc(c2)Cl)Cl)C(=O)O	JTK	(2~{r})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)Cl)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTM	n-[(2s,3s,4r)-1-({4-o-[(4-chlorophenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl	JTN	1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid
+CC(C)(C(=O)O)NC(=O)c1ccc2c(c1)n3c(c2C4CCCCC4)-c5ccccc5OCC3	JTP	n-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepin-10-yl)carbonyl]-2-methyl-l-alanine
+Cn1cc(c2c1c(c(cc2)Cl)Cl)c3cncnc3N	JTQ	5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine
+Cc1c(scn1)C(=O)Nc2ccc3ccccc3c2	JTS	4-methyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide
+Cc1c(sc(n1)C)C(=O)Nc2ccc3ccccc3c2	JTT	2,4-dimethyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide
+CC[C@@H](C)c1ccc(cc1)c2c(c(c3cc(ccc3n2)Br)C(=O)O)C	JTU	6-bromo-2-{4-[(2r)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccccc2)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTV	n-{(2s,3s,4r)-1-[(4-o-benzyl-alpha-d-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide
+c1ccc(cc1)S(=O)(=O)c2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl	JTW	4-chloranyl-~{n}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide
+c1ccc(cc1)S(=O)(=O)Nc2c(ncs2)C(=O)O	JTY	5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid
+CC(C)NC[C@@H](COc1ccccc1CC=C)O	JTZ	(2s)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C(C)(C)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JU1	n-[(2s,3s,4r)-1-({4-o-[(4-tert-butylphenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+C(#N)c1c2c([nH]c1Br)N=C(NC2=O)N	JU2	2-amino-6-bromo-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(c(c2)Cl)Cl)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JU4	n-[(2s,3s,4r)-1-({4-o-[(3,4-dichlorophenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)c3nc(cs3)CN4CCC[C@@H](C4)CN(CCN(C)C)C(=O)c5ccc6ccccc6c5	JU5	~{n}-[[(3~{s})-1-[[2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]methyl]-~{n}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
+C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	JU7	6-cyclohexylhexyl beta-d-glucopyranoside
+Cn1cc(c2c1cccc2)c3cncnc3N	JU8	5-(1-methylindol-3-yl)pyrimidin-4-amine
+c1ccc(cc1)C[NH+]2CCC[C@@H](C2)CN(CC[NH+]3CCN(CC3)c4ccc(c5c4non5)[N+](=O)O)S(=O)(=O)c6ccc7ccccc7c6	JUB	[7-[4-[2-[naphthalen-2-ylsulfonyl-[[(3~{s})-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]amino]ethyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazol-4-yl]-oxidanyl-oxidanylidene-azanium
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C(F)(F)F)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JUD	n-{(2s,3s,4r)-3,4-dihydroxy-1-[(4-o-{[4-(trifluoromethyl)phenyl]methyl}-alpha-d-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide
+CC(C)c1ccc(cc1)NC(=O)[C@@H](c2ccc(cc2)OC)NC(=O)C3=CCC(=O)N=C3	JUE	~{n}-[(1~{r})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{h}-pyridine-5-carboxamide
+c1cc2c(c(c1)O)C(=O)C=CC2=O	JUG	5-hydroxynaphthalene-1,4-dione
+CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)Cc3ccccc3	JUH	(2~{r})-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide
+c1cc(ncc1c2cc(c(c3c2c4c([nH]3)CCN(C4)C(=O)CO)Cl)Cl)N	JUJ	1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
+c1cc(oc1)C[n+]2c(c(cc3c2N=C4C=CC=CN4C3=O)C(=O)NC[C@@H]5CCCO5)N	JUK	2-amino-1-[(furan-2-yl)methyl]-5-oxo-3-({[(2s)-oxolan-2-yl]methyl}carbamoyl)-5h-dipyrido[1,2-a:2',3'-d]pyrimidin-1-ium
+c1c(c2c3c([nH]c2c(c1Cl)Cl)CCN(C3)C(=O)CO)c4c[nH]nc4	JUM	1-[6,7-dichloro-9-(1h-pyrazol-4-yl)-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
+CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C	JUN	(2~{r})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide
+c1c(c2c([nH]1)nc(nc2N3CCSCC3)N)C#N	JUO	2-amino-4-thiomorpholino-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)c3cc(cnc3N)c4cc(cs4)CN(C)C	JUP	4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide
+COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5	JUQ	(1~{s},2~{s})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N	JUS	2-(2-cyanophenoxy)-5-hexylphenol
+c1cc(c(cc1c2csc(n2)N)F)F	JUT	4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine
+c1cc(ccc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(cc2)O)O	JUV	(2r)-3-(4-hydroxyphenyl)-2-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
+Cn1cc(c2c1cccc2)c3ccnc(n3)N	JUW	4-(1-methylindol-3-yl)pyrimidin-2-amine
+c1ccc2c(c1)nc(s2)C(=O)N[C@@H](CCNC(=O)CCCCc3ccc4cccnc4n3)C(=O)O	JUY	(2s)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid
+CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)[C@@H]5C[C@H](N4)[C@@H](CO5)O	JUZ	1-[2-[(2~{r})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{s},9~{s},10~{s})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea
+CCc1ccc(cc1)n2c(c(cc2c3ccc(cc3)SC)CN4CCSCC4)C	JV0	4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine
+c1cc(cc(c1)[N+](=O)[O-])C(=O)/C=C/c2ccc3c(c2)OCO3	JV1	(~{e})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one
+CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)[C@H]5C[C@@H](N4)[C@@H](CO5)O	JV2	1-(((2r,3s,6r)-3-hydroxy-2,3,4,6-tetrahydro-1h-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((r)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)F	JV4	6-deoxy-6-fluoro-1-o-phosphono-alpha-d-glucopyranose
+Cc1ccccc1OCC(=O)Nc2ccc3c(c2)nn[nH]3	JV5	~{n}-(1~{h}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide
+Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2	JV8	~{n}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CP(=O)(O)O)F)O)O)O	JVA	2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-d-glycero-d-manno-heptitol
+Cc1ccccc1OCC(=O)Nc2cccnc2	JVB	2-(2-methylphenoxy)-~{n}-pyridin-3-yl-ethanamide
+C[C@H](C(C)C)NC(=O)c1ccc2c(c1)[nH]nn2	JVD	n-[(2r)-3-methylbutan-2-yl]-1h-benzotriazole-6-carboxamide
+c1ccc(c(c1)[C@H]2c3c[nH]nc3NC4=C2C(=O)CNC4)F	JVE	(4s)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5h-pyrazolo[3,4-b][1,7]naphthyridin-5-one
+c1cc2c(cc1CNC(=O)CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@H]4C3=O)[C@H]6C[C@@H](N2)[C@@H](CO6)O	JVH	 2-(exo-3,5-dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-n-((1r,9r,10s)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide
+c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5ccoc5	JVJ	1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine
+CC(C)[C@@H](C(=O)O)NC(=O)CSc1ccc(cc1)Cl	JVK	(2~{s})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid
+c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5c[nH]nc5	JVM	1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1h-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine
+c1cc2c(cc1F)[C@H]3C[C@@H](N2)[C@@H](CO3)O	JVN	(1~{r},9~{r},10~{s})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol
+c1cc(ccc1c2c(c(n(n2)[C@@H]3CCCN(C3)C#N)N)C(=O)N)Oc4ccc(cc4F)F	JVP	5-amino-1-[(3r)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazole-4-carboxamide
+CCN1Cc2cc3c(cc2NCCC1=O)OCO3	JVQ	14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(CF)OP(=O)(O)O)O)O)O)O	JVS	1-deoxy-1-fluoro-2-o-phosphono-alpha-d-gluco-hept-2-ulopyranose
+CN1CCN(CC1)c2ccc(cc2)NC(=O)c3c4ccccc4[nH]n3	JVT	n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-3-carboxamide
+Cc1c(c(on1)C)c2cc3c(cccn3)c(c2)S(=O)(=O)NC4CCCC4	JVY	n-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
+c1ccc2c(c1)ncn2C[C@@H](COc3ccc4c(c3)CCC4)O	JVZ	(2~{s})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{h}-inden-5-yloxy)propan-2-ol
+B(c1cccc(c1)NC(=O)OC(C)(C)C)(O)O	JW1	{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid
+c1ccnc(c1)CNC(=O)C(=O)NC2CCCC2	JW2	~{n}'-cyclopentyl-~{n}-(pyridin-2-ylmethyl)ethanediamide
+B(c1cccc(c1)C(=O)NCc2ccco2)(O)O	JW3	(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid
+Cc1ccc2c(c1c3cc(cc4c3nc([nH]4)C5CC5)c6c(noc6C)C)cccn2	JW4	4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1h-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO	JW5	6-(hydroxymethyl)uridine 5'-(dihydrogen phosphate)
+c1ccc(cc1)N2C(=O)C=C(C(=N2)c3[nH]cnn3)NC4CCCCC4	JW7	5-(cyclohexylamino)-2-phenyl-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone
+B(c1ccc(cc1)S(=O)(=O)N2CCC2)(O)O	JW8	{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid
+C[C@H](c1cccc2c1cccc2)N(C)Cc3ccc(cc3)O	JW9	4-({methyl[(1r)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol
+Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3CNC(=O)C)C	JWA	n-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide
+C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CC(=O)O	JWB	2-[(1~{r},2~{r},6~{s},7~{s})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid
+Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C	JWD	5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline
+c1cc(nc2c1c(cnc2N)Br)c3ccnc(c3)F	JWE	5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine
+CN1CCN(CC1)c2ccc(cc2)NC3=CC(=O)N(N=C3c4[nH]ncn4)c5ccc(cc5)Cl	JWF	5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone
+CCCCCCCC(=O)Nc1ccccc1C(=O)O	JWH	2-(octanoylamino)benzoic acid
+CC(C)(c1cnc(c2c1ccc(n2)c3ccnc(c3)F)N)O	JWK	2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol
+CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)C	JWM	n-[(2r)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide
+CC(C)(c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4ccncc4)C(=O)N5CCN(CC5)C	JWN	4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{n}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide
+CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)CC2COC2	JWP	n-[(2s)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide
+COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)C(F)(F)F	JWQ	(~{e})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{n}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
+COc1ccc(c(c1)c2nc(nc(n2)N)N)O	JWS	2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccc(cc3)F	JWT	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-fluoro-n-methylbenzenesulfonamide
+COC1(CS(=O)(=O)C1)[C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#CCCO	JWV	n-[(1s)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide
+CCCCCCCc1c(c(c2ccccc2n1)O)O	JWW	2-heptylquinoline-3,4-diol
+C[C@H](c1cccc2c1cccc2)N(C)Cc3c[nH]c4c3cccc4	JWX	(1r)-n-[(1h-indol-3-yl)methyl]-n-methyl-1-(naphthalen-1-yl)ethan-1-amine
+CCN1c2cc(ncc2C=C(C1=O)c3cc(c(cc3Cl)F)NC(=O)Nc4ccccc4)NC	JWY	n-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-n'-phenylurea
+[H]/N=C(/N)\N1CCC(CC1)(CN(C)CCCN2CN(C3(C2=O)CCN(CC3)CC[C@@H]4CC[C@H]5C[C@@H]4C5(C)C)c6ccccc6)O	JWZ	4-(((3-(8-(2-((1r,2s,5r)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide
+Cc1ccc(c2c1nccc2)c3cc(c(cc3O)O)c4c(c(on4)NC(=O)C)c5ccc(cc5)OC	JX1	n-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide
+COc1ccc(cc1C#CC(=O)NCc2ccco2)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5	JX2	3-[5-[(4~{a}~{r},8~{a}~{s})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(furan-2-ylmethyl)prop-2-ynamide
+Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc(n4)N[C@@H]5CCNC5	JX4	6-[7-methoxy-6-(1-methyl-1h-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-n-[(3r)-pyrrolidin-3-yl]pyridin-2-amine
+c1cc(ccc1C(=O)NCCCC(=O)N[C@H](CNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)I	JX5	(2~{s})-2-[[(2~{r})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid
+[H]/N=C(/N)\NCCCC(=O)C(=O)O	JX7	5-carbamimidamido-2-oxopentanoic acid
+c1cc2c(ccc(c2nc1)O)c3[nH]nnn3	JX8	5-(1~{h}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol
+c1c(cc(cc1Cl)Cl)c2cn(nn2)C[C@@H]3[C@@H]([C@@H](CN3)O)O	JXA	(2r,3s,4r)-2-{[4-(3,5-dichlorophenyl)-1h-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol
+c1nc(c2c(n1)n(c(n2)Br)CCCCN=[N+]=[N-])N	JXB	9-(4-azidobutyl)-8-bromanyl-purin-6-amine
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)NC(=O)C)/C)/C)/C)/C)/C)C	JXD	2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-beta-d-mannopyranosyl]-2-deoxy-1-o-[(s)-{[(r)-{[(2z,6z,10z,14e,18e)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose
+c1nc(c2c(n1)n(c(n2)Br)CCCCBr)N	JXE	8-bromanyl-9-(4-bromanylbutyl)purin-6-amine
+CC1=C[C@H](CN([C@@H]1C(=O)N)C=O)NOS(=O)(=O)O	JXG	(2s,5r)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3CCCCO3)N	JXH	8-bromanyl-9-[(2~{r})-oxan-2-yl]purin-6-amine
+c1nc(c2c(n1)n(c(n2)Br)CCCN)N	JXK	9-(3-azanylpropyl)-8-bromanyl-purin-6-amine
+c1ccc(cc1)[C@H](CN2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F)O	JXM	(8s)-9-[(2r)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one
+CCn1c2c(c(ncn2)N)nc1Br	JXN	8-bromanyl-9-ethyl-purin-6-amine
+c1cc(cc(c1)F)c2ccc(c(c2)COc3cc(nc4c3[nH]nn4)N)Cl	JXP	7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+C#CCCCCn1cnc2c1ncnc2N	JXQ	9-hex-5-ynylpurin-6-amine
+Cn1ccc(n1)c2cccc(c2)COc3cc(nc4c3[nH]nn4)N	JXS	7-{[3-(1-methyl-1h-pyrazol-3-yl)phenyl]methoxy}-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+C#CCCCn1c2c(c(ncn2)N)nc1Br	JXT	8-bromanyl-9-pent-4-ynyl-purin-6-amine
+c1ccc(cc1)[C@H](CNc2cc(ncn2)c3ccc4c(c3)OCCO4)O	JXV	(1r)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol
+Cc1nc2c(ncnc2n1CCCl)N	JXW	9-(2-chloroethyl)-8-methyl-purin-6-amine
+Cc1nc2c(ncnc2n1CCO)N	JXZ	2-(6-azanyl-8-methyl-purin-9-yl)ethanol
+C[C@H](Cc1cccc(c1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](CCC4=C)O)C	JY	3-(2-{4-[2-(5-hydroxy-2-methylene-cyclohexylidene)-ethylidene]-7a-methyl-octahydro-inden-1-yl}-propyl)-phenol
+CC[P](C)(CC)[Rh]([P](C)(CC)CC)([P](CC)(CC)CNCC(=O)NCCN1C(=O)CCC1=O)[P](CC)(CC)CNCC(=O)NCCN2C(=O)CCC2=O	JY1	bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium
+Cc1nc2c(ncnc2n1CCCC#C)N	JY2	8-methyl-9-pent-4-ynyl-purin-6-amine
+Cc1c2c3cc(c(cc3nnc2n[nH]1)OC)OC	JY4	7,8-dimethoxy-1-methyl-2h-pyrazolo[3,4-c]cinnoline
+c1nc(c2c(n1)n(c(n2)C#CCO)[C@H]3CCCCO3)N	JY5	3-[6-azanyl-9-[(2~{r})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol
+Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F	JY7	8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3h-pyrazolo[3,4-c]cinnoline
+CCn1c(nc2c1ncnc2N)C	JY8	9-ethyl-8-methyl-purin-6-amine
+CCn1c(nc2c1ncnc2N)C#C	JYB	9-ethyl-8-ethynyl-purin-6-amine
+C([C@@H](C(=O)O)S)C(=O)O	JYD	(2s)-2-sulfanylbutanedioic acid
+c1nc(c2c(n1)n(c(n2)Br)CCCN=[N+]=[N-])N	JYE	9-(3-azidopropyl)-8-bromanyl-purin-6-amine
+C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C5(CC5)C)NC6(CC6)C)C(=O)N1	JYG	3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6r)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3h)-one
+c1ccc(cc1)c2cccc3c2cc(cc3)C(=O)Nc4ccc(cc4)C(=O)O	JYH	4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid
+CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3Cl)C(=O)O)c4ccccc4)C	JYI	3-chloro-4-[(e)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid
+c1cc(cc(c1)Cl)C2(CC2)C(=O)N3CCN(CC3)C(=O)c4ccsc4	JYJ	{4-[1-(3-chlorophenyl)cyclopropane-1-carbonyl]piperazin-1-yl}(thiophen-3-yl)methanone
+c1nc(c2c(n1)n(c(n2)Br)CCN=[N+]=[N-])N	JYK	9-(2-azidoethyl)-8-bromanyl-purin-6-amine
+C1CCC(CC1)COc2c3c([nH]c(n3)C(F)(F)F)nc(n2)N	JYM	6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9h-purin-2-amine
+c1nc(c2c(n1)n(cn2)CCCCN=[N+]=[N-])N	JYN	9-(4-azidobutyl)purin-6-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O[C@@H]4[C@H]([C@H]([C@H]([C@@H](O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N	JYP	adenophostin a
+CC(=O)SCCCCn1cnc2c1ncnc2N	JYQ	~{s}-[4-(6-aminopurin-9-yl)butyl] ethanethioate
+c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C(=O)c3c[nH]c4c3c(ccc4F)Br	JYS	1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1h-indol-3-yl)ethane-1,2-dione
+c1nc(c2c(n1)n(c(n2)Br)CCCO)N	JYT	3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol
+CN(C)CCCN(C)Cc1nc(cs1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCC(CC4)[C@@H](C#N)c5ccccc5)c(cn2)OC	JYV	(2r)-{1-[{7-[2-({[3-(dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1h-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]piperidin-4-yl}(phenyl)acetonitrile
+c1nc(c2c(n1)n(c(n2)Br)CCCCO)N	JYW	4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol
+COc1cnc(c2c1c(c[nH]2)C(=O)C(=O)N3CCC(CC3)C(C#N)c4ccccc4)c5csc(n5)C(=O)NCCO	JYY	4-{3-[{4-[(r)-cyano(phenyl)methyl]piperidin-1-yl}(oxo)acetyl]-4-methoxy-1h-pyrrolo[2,3-c]pyridin-7-yl}-n-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide
+COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2ccccc2O	JYZ	(~{e})-2-cyano-~{n}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
+Cc1ccccc1O	JZ0	o-cresol
+CCc1ccccc1O	JZ1	2-ethylphenol
+Cc1ccc(cc1O)Cl	JZ2	5-chloro-2-methylphenol
+COc1ccccc1O	JZ3	guaiacol
+CCCc1ccccc1O	JZ4	2-propylphenol
+c1cc(sc1)/C=N\O	JZ5	(nz)-n-(thiophen-2-ylmethylidene)hydroxylamine
+c1c(cn[nH]1)Cl	JZ6	4-chloro-1h-pyrazole
+CCO[C@@H]1CCC=CO1	JZ7	(2s)-2-ethoxy-3,4-dihydro-2h-pyran
+Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3	JZ8	5-methyl-7-(naphthalen-2-ylamino)-1h-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium
+c1c[nH]c2c1CCCC2	JZ9	4,5,6,7-tetrahydro-1h-indole
+C1COCCN1C(=O)N2CCS2(=O)=O	JZA	4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine
+c1c(c2c(c(c1O)Cl)C/C(=N\OCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O	JZB	(5e,9e,11e)-13-chloro-14,16-dihydroxy-3,4,7,8-tetrahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione 11-[o-(2-oxo-2-piperidin-1-ylethyl)oxime]
+c1c(cc(c2c1C/C(=N\OCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O)O	JZC	(5e,9e,11e)-14,16-dihydroxy-3,4,7,8-tetrahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione 11-[o-(2-oxo-2-piperidin-1-ylethyl)oxime]
+c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl	JZD	2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid
+c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl	JZE	2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid
+CCOC(=O)CN1C(=O)CC(CC1=O)C[C@H]([C@@H]2C[C@H](C[C@@H](C2=O)C)C)O	JZF	ethyl (4-{(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate
+Cn1c2cc(c(cc2c(c1c3ccccc3)c4cn(nn4)CCC(=O)Nc5ccc(cc5)c6ccccc6)C(=O)O)O	JZG	3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1h-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1h-indole-5-carboxylic acid
+c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)[C@@H](C(=O)N2)c5ccc(cc5)O	JZH	(3s)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3h)-one
+c1ccc(cc1)/C=C/C[C@H](C(=O)O)NC(=O)c2ccc3ccccc3c2	JZI	(2r,4e)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid
+c1ccc2c(c1)C[C@H](NC2)c3[nH]cc(n3)c4ccc(cc4)Br	JZJ	(3s)-3-[4-(4-bromophenyl)-1h-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline
+c1ccc(c(c1)CNc2nc3cc(ccc3n2CC4CCCCC4)C(=O)N)Cl	JZK	2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1h-benzimidazole-5-carboxamide
+c1ccc(c(c1)CNc2nc3cc(cc(c3n2C[C@@H]4CCCCC[C@@H]4O)N)C(=O)N)Cl	JZL	7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1s,2s)-2-hydroxycycloheptyl]methyl}-1h-benzimidazole-5-carboxamide
+c1cc2c(c(c1)Sc3ccc(cc3)Cl)c(nc(n2)N)N	JZM	5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine
+Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N4CCC[C@@H]4C(=O)N)NC[C@](CC(C)(C)c5cc(ccc5OC)F)(C(F)(F)F)O	JZN	1-{[3-(4-{[(2r)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1h-indazol-1-yl)phenyl]carbonyl}-d-prolinamide
+CN1C(=C(C(=O)N1C)c2cccc(c2)COC)c3ccc4c(c3)nccn4	JZO	4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3h-pyrazol-3-one
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3Cl)Cl)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	JZP	(4r)-3-[(2s,3s)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3F)F)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	JZQ	(4r)-3-[(2s,3s)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	JZR	hexyl beta-d-glucopyranoside
+Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N[C@H](C)C(=O)N)NCC(C(F)(F)F)(C(F)(F)F)O	JZS	n-[(1r)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1h-indazol-1-yl)benzamide
+CC1(CC(=O)N(C(=O)C1)C[C@H](C(C)(C)C)NC(=O)N[C@H]2CCCCCCCCC[C@H](NC(=O)[C@@H]3[C@@H]4[C@@H](C4(C)C)CN3C2=O)[C@H](C(=O)NCC=C)O)C	JZT	(2r)-2-{(3s,13s,16as,17ar,17bs)-13-[({(1s)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2h-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-n-prop-2-en-1-ylethanamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)N)O)O)N	JZU	5'-deoxy-5'-(sulfamoylamino)adenosine
+C/C(=N/OCc1ccccc1/C(=N\OC)/C(=O)OC)/c2cccc(c2)C(F)(F)F	JZV	methyl (2e)-(methoxyimino)(2-{[({(1z)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)ethanoate
+CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc(c4)CO)N5CCOCC5	JZW	[3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol
+CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4ccc(nc4)N)N5CCOCC5	JZX	5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine
+Cc1c(cnc(n1)N)c2nc3cc(sc3c(n2)N4CCOCC4)CN5CCN(CC5)S(=O)(=O)C	JZY	4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
+CC(C)(C)C#Cc1ccc2cccc(c2c1)N3C(=NN(C3=O)C)OC	JZZ	4-[7-(3,3-dimethylbut-1-yn-1-yl)naphthalen-1-yl]-5-methoxy-2-methyl-2,4-dihydro-3h-1,2,4-triazol-3-one
+[K+]	K	potassium ion
+C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)F)O)O)O)O)O	K00	(2r,3r,4r,5r,6s)-3-fluoro-4,5-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
+CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCCC2	K01	n,n-diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CC[C@H](C2)C	K02	(5r)-n,n-diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCC(C2)(C)C	K03	n,n-diethyl-5,5-dimethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+C[C@H]1CCO[C@@H]1C(=O)Nc2cnns2	K04	(2s,3s)-3-methyl-n-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name)
+COc1ccc2ccccc2c1\C=N\NC(=O)c3ccc(c(c3)O)O	K05	(e)-3,4-dihydroxy-n'-[(2-methoxynaphthalen-1-yl)methylene]benzohydrazide
+CN(C[C@H]1CCOC1)c2c(cncn2)Cl	K07	5-chloro-n-methyl-n-{[(3r)-oxolan-3-yl]methyl}pyrimidin-4-amine
+CC\1=C(c2ccccc2/C1=C\c3ccc(cc3)C(C)C)CCc4[nH]nnn4	K08	5-(2-{(1z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1h-inden-3-yl}ethyl)-1h-tetrazole
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)C(C)C)F)CCc4[nH]nnn4	K09	5-(2-{(1z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1h-inden-3-yl}ethyl)-1h-tetrazole
+Cc1c(nc(s1)C)C(=O)N2CCCC2	K0A	(2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone
+c1ccc2cc(ccc2c1)n3cnc4c3nc(nc4NCc5[nH]c6ccc(c(c6n5)F)F)N7CCOCC7	K0B	~{n}-[[4,5-bis(fluoranyl)-1~{h}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine
+C[C@@H]1CN([C@H](CO1)C)C(=O)c2cnsn2	K0D	[(2r,5s)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone
+c1cc(cc(c1)F)n2cnc3c2nc(nc3NCc4[nH]c5c(n4)ccc(c5F)F)N6CCOCC6	K0E	~{n}-[[6,7-bis(fluoranyl)-1~{h}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine
+c1ccc(cc1)NC(=O)Nc2cccnc2	K0G	n-phenyl-n'-pyridin-3-ylurea
+CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(=O)OC)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4	K0H	methyl 2-[(3~{a}~{r},6~{r},8~{a}~{s})-1-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{h}-pyrrolo[2,3-c]azepin-7-yl]ethanoate
+c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O	K0I	3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid
+CCNC(=O)c1c[nH]nn1	K0J	n-ethyl-1h-1,2,3-triazole-4-carboxamide
+CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(=O)O)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4	K0K	2-[(3~{a}~{r},6~{r},8~{a}~{s})-1-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{h}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid
+Cc1cc(cc(c1OCC(=O)O)C)N	K0L	(4-amino-2,6-dimethylphenoxy)acetic acid
+Cc1cc(on1)C(=O)Nc2ccn(n2)C	K0M	3-methyl-n-(1-methyl-1h-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
+CC(C)(C)c1nnc(s1)NC(=O)/C(=C/c2ccc(c(c2)OC)O)/C#N	K0N	(~{e})-~{n}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
+CCn1cc(cn1)CNC(=O)c2cccnc2	K0P	n-[(1-ethyl-1h-pyrazol-4-yl)methyl]pyridine-3-carboxamide
+c1ccc2c(c1)c(c[nH]2)CCNC(=O)CN3C=CC=C(C3=O)O	K0Q	~{n}-[2-(1~{h}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide
+CCCc1nnc(s1)NC(=O)c2ccccn2	K0S	n-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c3cccc4c3cccc4N(C)C	K0T	(2~{s})-5-carbamimidamido-2-[[(2~{s})-2-[[(2~{s})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid
+CC(C)(C)NC(=O)N1CCC(CC1)C(=O)OC	K0V	methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate
+[C@@H]1([C@@H]([C@H]([C@@H]([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	K0W	[(1~{s},2~{r},3~{r},4~{s},5~{s},6~{r})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate
+c1cc(ccc1CNC(=O)c2cnc3nc2NCCCC[C@@H](C(=O)NCCCCCCN3)N)F	K0X	(7s)-7-amino-n-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide
+Cc1cc(no1)C(=O)NCC(=O)OC	K0Y	methyl n-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
+COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)Br	K0Z	(~{e})-~{n}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
+Cc1ccc(c(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N)C	K10	1-tert-butyl-3-(2,5-dimethylbenzyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5[nH]c6cc(ccc6n5)C(F)(F)F	K11	n-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1h-benzimidazol-2-amine
+C(CCCCCCOP(=O)(O)O)CCCCCO	K12	12-hydroxydodecyl dihydrogen phosphate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	K13	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{[(4-aminophenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	K14	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}propyl]carbamate
+CCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	K15	5'-{[(3s)-3-amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine
+c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br	K17	4,5,6,7-tetrabromo-benzimidazole
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5	K19	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate
+Cc1c(c(on1)C)CN2C(=O)SC(=N2)C	K1A	3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3h)-one
+c1cc(c(cc1/C=C(\C#N)/C(=O)Nc2nnc(s2)Br)[N+](=O)[O-])O	K1B	(~{e})-~{n}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide
+c1[nH]c2c(n1)c(ncn2)N3CCC3	K1D	6-(azetidin-1-yl)-9h-purine
+Cn1cc(cn1)Nc2nc3ccc(nc3c(n2)NC4CCC(CC4)N5CCN(CC5)C(=O)OC)CC#N	K1E	methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate
+CC(C)N(C)c1c2cnn(c2ncn1)C	K1G	n,1-dimethyl-n-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+COC(=O)N1CCN(CC1)C2CCC(CC2)Nc3c4cc(ccc4ncn3)C#N	K1H	methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate
+Cc1nc(sn1)N2CCO[C@H]([C@H]2C)C	K1J	(2s,3r)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6	K1N	(3~{s},7~{r},10~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+Cc1nc(sn1)N2CCCNCC2	K1P	1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCCc4ccccc4F)OC	K1Q	3-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide
+C(C[S@@](=O)NSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	K1R	(2s)-2-amino-4-[({[(2r)-2-amino-2-carboxyethyl]thio}amino)sulfinyl]butanoic acid
+CCN(CC)c1cc(nc2n1ncn2)C	K1S	n,n-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCN	K1T	5-[(2s)-2-{[(4-aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid
+c1ccc(cc1)C[C@H](CC(=O)O)C(=O)SCC(=O)c2ccccc2	K1U	(3r)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid
+CC(=O)N1CCC[C@H](C1)C(=O)N	K1V	(3r)-1-acetylpiperidine-3-carboxamide
+c1ccc(cc1)C[C@@H]2CNCCN2C(=O)c3ccc(cc3)S(=O)(=O)N	K1W	4-[(2~{r})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
+Cc1nc(c(s1)NC(=O)OC)c2ccccc2	K1Y	methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)OP(=O)(O)O)N)O)O)N	K1Z	[(2~{r},3~{r},4~{r},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	K20	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate
+COc1ccc2c(c1)CN(CCS2)C(=O)CCN3CCC(CC3)Cc4ccccc4	K21	4-[3-{1-(4-benzyl)piperodinyl}propionyl]-7-methoxy-2,3,4,5-tertrahydro-1,4-benzothiazepine
+c12c(c(c(c(c1Br)Br)Br)Br)NC(=S)N2	K22	4,5,6,7-tetrabromo-1h,3h-benzimidazol-2-thione
+c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)O)Cl	K23	6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-1h-indole-2-carboxylic acid
+Cc1ncc(s1)C(=O)NC	K24	n,2-dimethyl-1,3-thiazole-5-carboxamide
+CN(C)c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br	K25	4,5,6,7-tetrabromo-n,n-dimethyl-1h-benzimidazol-2-amine
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)P(=O)(O)O)NC(=O)C	K26	n-acetyl-l-ile-l-tyr-(r)-1-amino-2-(4-hydroxyphenyl)ethylphosphonic acid
+c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C(=O)N	K27	4-carbamoyl-1-(3-{4-[(e)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium
+CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	K28	[(2~{r},3~{r},4~{r},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
+c1ccc2c(c1)cc(cn2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O	K29	(3~{r})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	K2A	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2s)-2-methylbutyl]amino)propyl]carbamate
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	K2B	(8alpha,9beta)-cholest-4-en-3-one
+c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4	K2C	6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	K2D	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	K2E	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate
+CC(C)c1ncc(c(n1)C(=O)N)Cl	K2G	5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide
+CN(CC#Cc1[nH]c2c(n1)c(ncn2)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	K2H	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-(6-azanyl-9~{h}-purin-8-yl)prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol
+CNc1nccc(n1)OC	K2J	4-methoxy-n-methylpyrimidin-2-amine
+c1nc(c2c(n1)[nH]c(n2)C#CCCNC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N	K2K	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{h}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)N	K2M	4-(furan-2-carbonyl)piperazine-1-carboxamide
+CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@@H](N2)C)c3ccccc3	K2N	ethyl [(2s)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
+c1ccc(c(c1)C(=O)O)OC(F)(F)F	K2P	2-(trifluoromethoxy)benzoic acid
+C1C=C[C@]2(C=C(C[C@H]([C@@H]2O)O1)C(=O)O)O	K2Q	(1r,6r,10s)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(z),7-diene-8-carboxylic acid
+c1cc(cc(c1)c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)CCC(=O)O	K2R	3-[3-[9-[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid
+Cc1c(c(n[nH]1)C)S(=O)(=O)N(C)C	K2S	n,n,3,5-tetramethyl-1h-pyrazole-4-sulfonamide
+Cc1ccc2c(c1)sc(n2)N	K2T	6-methyl-1,3-benzothiazol-2-amine
+c1ccc(cc1)C[C@H](CC(=O)O)[C@H](O)SCc2ccccc2	K2U	(3~{r},4~{r})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid
+C[C@H](c1ccc(cc1)c2cncnc2)N	K2V	(1r)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N	K2W	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol
+c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	K2Y	(2,4,5-triphosphonooxyphenyl) dihydrogen phosphate
+CC[C@@H]([C@@H](C(=O)NCCCN1CCN(CC1)C)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	K2Z	benzyl [(1s)-1-{[(1s,2s)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate
+C[N@]1CC[C@@H]([C@@H](C1)F)N(C)C(=O)N2CC(=C[C@@]2(CO)c3ccccc3)c4cc(ccc4F)F	K30	(2s)-4-(2,5-difluorophenyl)-n-[(3r,4s)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-n-methyl-2-phenyl-2,5-dihydro-1h-pyrrole-1-carboxamide
+Cc1c(c(n[nH]1)C)c2ccccc2N	K31	2-(3,5-dimethyl-1h-pyrazol-4-yl)aniline
+c12c(c(c(c(c1Br)Br)Br)Br)NC(=O)N2	K32	4,5,6,7-tetrabromo-1h,3h-benzimidazol-2-one
+CCCCCCCCCCCCCC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@H]1OC[C@@H]2[C@@H](CC[C@@H](O2)OP(=O)(O)O)O)CO)OP(=O)(O)O)O	K33	2,3-dideoxy-6-o-[2-deoxy-4-o-phosphono-2-(tetradecanoylamino)-alpha-l-gulopyranosyl]-1-o-phosphono-beta-d-threo-hexopyranose
+c1csc(n1)c2[nH]ncn2	K34	5-(1,3-thiazol-2-yl)-1h-1,2,4-triazole
+CCCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO	K35	~{n}-[(1~{r},2~{r},3~{r},4~{s},5~{s},6~{s})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCc2ccccc2	K36	(1s,2s)-2-({n-[(benzyloxy)carbonyl]-l-leucyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CSc1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br	K37	4,5,6,7-tetrabromo-2-(methylsulfanyl)-1h-benzimidazole
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N	K38	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynylamino]methyl]oxolane-3,4-diol
+Cc1cc(n[nH]1)NC(=O)C	K3A	n-(5-methyl-1h-pyrazol-3-yl)acetamide
+c1nc(c2c(n1)[nH]c(n2)C#CCOC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N	K3B	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[3-(6-azanyl-9~{h}-purin-8-yl)prop-2-ynoxymethyl]oxolane-3,4-diol
+CCNC(=O)N1CCN(CC1)C(=O)C	K3D	4-acetyl-n-ethylpiperazine-1-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CN)O)O)N)O)O)N	K3E	(2~{r},3~{s},4~{r},5~{r})-2-(aminomethyl)-5-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol
+O=[Mo]123O[Mo]45(=O)O[Mo]6(=O)(O1)O[Mo]78(=O)O[Mo]91(=O)(O6)O[P+]6%10O[Mo]%11%12(=O)(O2)O[Mo](=O)(O3)(O9)O[Mo]2(=O)(O1)O[Mo]1(=O)(O%11)O[Mo](=O)(O4)(O%12)O[Mo](=O)(O6)(O5)(O7)O[Mo](=O)(O%10)(O2)(O1)O8	K3G	phosphomolybdate keggin
+CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	K3H	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol
+CCNc1ccc(nn1)C	K3J	n-ethyl-6-methylpyridazin-3-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N	K3K	(2~{r},3~{r},4~{s},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
+Cc1ccc(c(c1)F)C(=O)N	K3M	2-fluoro-4-methylbenzamide
+CCCCNC(=O)C#Cc1cc(ccc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CCCC3)C4CCCCCC4	K3N	3-[5-[(4~{a}~{r},8~{a}~{s})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-butyl-prop-2-ynamide
+Cn1cc(cn1)Oc2c(cncn2)Cl	K3P	5-chloro-4-[(1-methyl-1h-pyrazol-4-yl)oxy]pyrimidine
+COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O	K3Q	3,6-o-dimethyl-d-glucose
+CCNCc1cn(nn1)C	K3S	n-[(1-methyl-1h-1,2,3-triazol-4-yl)methyl]ethanamine
+c1cc2c(cc1F)sc(c2Cl)C(=O)NC3=NCCS3	K3T	3-chloranyl-~{n}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide
+c1ccc(cc1)C[C@H](CC(F)(F)F)C(=O)SCC(=O)c2ccccc2	K3U	s-(2-oxo-2-phenylethyl) (2r)-2-benzyl-4,4,4-trifluorobutanethioate
+COc1ccc2c(c1OC)C(=O)NN=C2	K3V	7,8-dimethoxyphthalazin-1(2h)-one
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)Nc4cccc(c4)OC)OC	K3W	3-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(3-methoxyphenyl)prop-2-ynamide
+Cn1cc(c(n1)[C@@H]2CCCNC2)C(=O)N	K3Y	1-methyl-3-[(3r)-piperidin-3-yl]-1h-pyrazole-4-carboxamide
+COc1ccc(cc1)/C=C/C(=O)O	K3Z	(e)-3-(4-methoxyphenyl)acrylic acid
+CC(C)C(=O)Nc1nnn(n1)C	K41	2-methyl-n-(2-methyl-2h-tetrazol-5-yl)propanamide
+c1cc(ccc1O)OCCN	K42	4-(2-azanylethoxy)phenol
+C[N@@]1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br	K44	5,6,7,8-tetrabromo-1-methyl-2,3-dihydro-1h-imidazo[1,2-a]benzimidazole
+CN1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N	K45	4-[(3~{s})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
+CCn1c(c(cn1)c2nc3c(n2C)ncnc3O[C@H]4CCN(C4)C(=O)C5CCOCC5)C	K47	[(3s)-3-{[8-(1-ethyl-5-methyl-1h-pyrazol-4-yl)-9-methyl-9h-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone
+[H]/N=C(\c1cc(c(s1)N)c2ccccc2)/N	K48	5-azanyl-4-phenyl-thiophene-2-carboximidamide
+CCn1c(c(cn1)c2nc3c(n2C)ncnc3N4CCC(CC4)N5c6cccnc6NC5=O)C	K4A	1-{1-[8-(1-ethyl-5-methyl-1h-pyrazol-4-yl)-9-methyl-9h-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one
+c1ccc(cc1)CN2CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N	K4B	4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide
+c1cc(c(cc1OCC(F)(F)F)C(=O)NC[C@H]2CCCCN2)OCC(F)(F)F	K4D	flecainide
+COc1ccc(cc1NCC(=O)NC2CCC(CC2)N3c4ccccc4NC3=O)Cl	K4E	n~2~-(5-chloro-2-methoxyphenyl)-n-[trans-4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)cyclohexyl]glycinamide
+CC1([C@@H](N(C(=O)O1)c2ccc(cc2)C(=O)Nc3cccc4c3nccc4)c5ccccc5)C	K4F	4-[(4s)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-n-(quinolin-8-yl)benzamide
+CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O	K4G	3-oxo-n-[(3s)-2-oxooxolan-3-yl]tetradecanamide
+c1ccc(cc1)CN2CCCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N	K4H	4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide
+B(c1ccc(cc1F)[C@H]2COC(=O)N2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O	K4J	(4-{(4s)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid
+c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCCc3cccs3)O	K4K	(3~{s})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{n}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
+B(c1ccc(cc1F)c2ncnn2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O	K4M	(4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1h-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid
+c1cc(ccc1O)S(=O)(=O)N	K4N	4-oxidanylbenzenesulfonamide
+B1(c2c(cc(cc2Cl)N(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O	K4P	6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide
+CCCCCCCC(=O)OC[C@@H](C=O)N	K4Q	[(2~{s})-2-azanyl-3-oxidanylidene-propyl] octanoate
+B(c1ccc(cc1)N(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O	K4S	(4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid
+Cn1c(cc(n1)c2ccccc2)C(=O)NC3CC3	K4T	~{n}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide
+CC(=O)Oc1ccc(cc1)[N+](=O)[O-]	K4V	4-nitrophenyl acetate
+CC[C@H](CO)Nc1nc(c(c(n1)NC(C)C)N=O)NCc2ccc(cc2)O	K4W	4-[[[5-nitroso-2-[[(2~{r})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol
+COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)N	K4Y	4-amino-n-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCC[C@H](C(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)[NH3+]	K4Z	3-[3-[[4-[[4-[[4-[[4-[[(2~{r})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium
+CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C#N	K51	4-(6-{[(1s)-1-(hydroxymethyl)-2-methylpropyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzonitrile
+C[C@H](c1ccc(cc1)S(=O)(=O)NC(=O)C)NC(=O)c2cc(nn2C)c3ccccc3	K52	~{n}-[(1~{r})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccccc3O)O)S(=O)(=O)c4ccc5c(c4)OCO5	K53	(5s)-n-{(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccccc3C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)scn5	K54	(5s)-n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
+CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)C[C@H](CC)C(=O)O	K55	(2s)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
+COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5NC4=O	K56	3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one
+Cc1c(cccc1O)C(=O)N[C@@H](Cc2ccccc2)C(C(=O)N3CSC([C@H]3C(=O)NC(C)(C)C)(C)C)O	K57	(4r)-n-tert-butyl-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide
+C[C@H](c1ccc(cc1)C(=O)O)NC(=O)c2cc(nn2C)c3ccccc3	K58	4-[(1~{r})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
+Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)C#N	K5A	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide
+C([C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O	K5B	4,7-anhydro-3-deoxy-d-gluco-oct-2-ulosonic acid
+Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N	K5C	4-({4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide
+c1cc(cc(c1)Br)OCC(=O)N[C@@H]2C[C@@H]3C[C@@H]3[C@@H]2O	K5D	2-(3-bromophenoxy)-n-[(1s,2s,3r,5s)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide
+c1cc(cc(c1)O)[C@H]2C3=C(CCCC3O)NC(=S)N2	K5E	(4s,5r)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1h)-thione
+c1cc(cc(c1)Br)OCCCC(=O)N[C@H]2CCSC2=O	K5G	4-(3-bromophenoxy)-n-[(3s)-2-oxothiolan-3-yl]butanamide
+C([C@@H](C(=O)O)N)SCC(C(F)(F)F)(O)O	K5H	(2~{r})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid
+CS(=O)(=O)c1cccc(c1)OCCCC(=O)N[C@@H]2C[C@H]3C[C@H]3C2=O	K5J	4-[3-(methylsulfonyl)phenoxy]-n-[(1r,3r,5r)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide
+Cc1cc2c(cc(n2C)C(=O)N[C@H](CO)c3ccc(cc3)S(=O)(=O)CC(=O)O)c(c1Cl)Cl	K5K	2-[4-[(1~{s})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid
+C([C@H](C(=O)O)N)OC(=O)CC(=O)O	K5L	(2~{r})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
+CS(=O)(=O)c1cccc(c1)OCCCC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2=O	K5M	4-[3-(methylsulfonyl)phenoxy]-n-[(1s,3s,5s)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide
+C[C@H](c1ccc(cc1)C(=O)NS(=O)(=O)C)NC(=O)c2cc(nn2C)c3ccccc3	K5N	2-methyl-~{n}-[(1~{r})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide
+CC(C)(C)c1ccc(cc1)N2[C@@H]([C@H](c3ccccc3C2=O)C(=O)O)c4ccc(cc4)OC	K5P	(3s,4s)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
+c1ccc\2c(c1)C/C(=N\O)/C2=C/c3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	K5Q	(2s)-6-[(e)-[(2e)-2-hydroxyimino-3h-inden-1-ylidene]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC(C)(C)c1ccc(cc1Cl)N2[C@@H]([C@H](c3ccc(cc3C2=O)F)CC(=O)O)c4ccc5c(c4)OCCO5	K5S	[(3s,4s)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@H](C)C(=O)O)C(=O)N)N	K5T	(2~{r})-2-[[(2~{s})-2-[[(4~{r})-5-azanyl-4-[[(2~{s})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid
+c1cc(cc(c1)O)N	K5V	3-aminophenol
+c1cc(c(c(c1)S(=O)(=O)N)F)F	K5W	2,3-bis(fluoranyl)benzenesulfonamide
+c1ccc(cc1)CCCCOCCCCCCNC[C@@H](c2ccc(c(c2)CO)O)O	K5Y	salmeterol
+[H]/N=C(\c1cc(c(s1)CCCN)c2ccccc2)/N	K5Z	5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)OCO5	K60	5s)-n-[(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr ifluoromethyl)phenyl]-5-oxazolidinecarboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc5c(c4)OCO5	K62	(5s)-3-(3-acetylphenyl)-n-[(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)pr opyl]-2-oxo-5-oxazolidinecarboxamide
+Cc1ccccc1CNC(=O)[C@@H]2C(SC[N@]2C(C(=O)[C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C	K64	3-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyryl]-5,5- dimethyl-thiazolidine-4-carboxylic acid 2-methyl-benzylamide
+[H]/N=C(\c1cc(cs1)c2ccccc2NC(=O)C=C)/N	K65	~{n}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide
+CN(C)c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br	K66	[4,5,6,7-tetrabromo-2-(dimethylamino)-1h-benzimidazol-1-yl]acetic acid
+CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OCC)CC(=O)C	K67	n,n'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide)
+c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br	K68	(4,5,6,7-tetrabromo-1h-benzimidazol-1-yl)acetic acid
+[H]/N=C(/c1cc2cccc(c2s1)c3cccc(n3)N)\N	K6B	7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N](C)(C)C)O	K6G	[(2~{r})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate
+C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl	K6H	(2s)-2-chloranyl-2-[(2r)-5-oxidanylidene-2h-furan-2-yl]ethanoic acid
+CN(CCOc1ccc(cc1)C2CCN(CC2)c3ccc4nnc(n4n3)OC)c5ccc6nnc(n6n5)OC	K6K	3-methoxy-n-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-n-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
+CC(C)(C)NCCCNC(=O)c1cccc(c1)C(F)(F)F	K6M	n-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide
+[H]/N=C(\c1cc2cccc(c2s1)n3cc(c(n3)N)C)/N	K6N	7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide
+CC(C)(C)NCCCNC(=O)c1cccc(c1)I	K6P	n-[3-(tert-butylamino)propyl]-3-iodobenzamide
+C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)F	K6Q	4-[(~{e})-2-(4-fluorophenyl)ethenyl]-1-[(~{e})-prop-1-enyl]piperidine
+CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C	K6S	n-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide
+[H]/N=C(\c1cc(c(s1)Nc2cccc(c2)N)c3ccccc3)/N	K6T	5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide
+CCCC(=O)N[C@@H](C)CO	K6V	n-[(2s)-1-hydroxypropan-2-yl]butanamide
+[H]/N=C(/c1cc(c(s1)Cc2ccccc2)c3ccccc3)\N	K6W	4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide
+c12c(c(c(c(c1Br)Br)Br)Br)[nH]nc2Br	K6X	3,4,5,6,7-pentabromo-1h-indazole
+Cc1cc(no1)[C@@](C)(C#Cc2cc-3c(cc2F)C4CC(C4)n5c3nc(c5C(=O)NC)C(=O)N)O	K6Y	(5s,7s)-9-fluoro-10-[(3r)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-n~3~-methyl-6,7-dihydro-5h-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide
+[H]/N=C(\c1cc(c(s1)Nc2ccccc2)c3ccccc3)/N	K6Z	4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide
+c1cc2c(nc1)[N+](=C3C=CC=CC3=S2)Cc4ccc(cc4)C(=O)NO	K70	10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium
+CO[C@@H]1C[C@@](O[C@@H]([C@@H]1O)[C@@H](CO)O)(C(=O)O)O	K71	3-deoxy-4-o-methyl-alpha-d-manno-oct-2-ulopyranosonic acid
+C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)C(F)(F)F	K72	1-[(~{e})-prop-1-enyl]-4-[(~{e})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)CN)N	K73	(2~{s})-~{n}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
+CNC(=O)CSc1nc2c(n1C)c(c(c(c2Br)Br)Br)Br	K74	n-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1h-benzimidazol-2-yl)sulfanyl]acetamide
+CC#C[C@@H]1c2cc3c(cc2N=C(N1)N)[nH]c(n3)NC	K75	(8~{r})-~{n}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{h}-imidazo[4,5-g]quinazoline-2,6-diamine
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C=CC(=O)N3CC(C3)(F)F	K76	(2e)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one
+CC(C)(C)c1cc(c(c(c1)Br)O)CNCCCc2ccccc2	K78	2-bromo-4-tert-butyl-6-{[(3-phenylpropyl)amino]methyl}phenol
+c1c(nc(c(n1)C(=O)O)C(=O)O)O	K7A	5-hydroxypyrazine-2,3-dicarboxylic acid
+c1ccc(cc1)c2cccc3c2NC=C(C3=O)C(=O)O	K7D	4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid
+S[Cu]S([Cu])([Cu])[Cu]	K7E	sulfanyl-(tricuprio-$l^{4}-sulfanyl)copper
+Cc1cc(cc(c1Oc2c(cnc(n2)NC3CCN(CC3)Cc4ccc(cc4)C(=O)N)c5ccncc5)C)C#N	K7F	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide
+c1ccc(cc1)C2=CS/C(=C(/C#N)\C(=O)c3ccccc3Cl)/N2	K7G	thiapronil
+CNc1[nH]c2cc3c(cc2n1)CNC(=N3)N	K7H	~{n}2-methyl-7,8-dihydro-3~{h}-imidazo[4,5-g]quinazoline-2,6-diamine
+C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O	K7I	l-alanyl-n-[(1s,2r)-1-benzyl-2-hydroxypropyl]-l-alaninamide
+C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](CCl)O)NC(=O)CCC(=O)O	K7J	n-(3-carboxypropanoyl)-l-alanyl-l-alanyl-n-[(2s,3s)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-l-prolinamide
+CCCCCC[P@](=O)(OC[C@@H](C(=O)O)N)Oc1cccnc1c2c(cccn2)O	K7K	2-azanyl-3-[hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphoryl]oxy-propanal
+C[C@H](Cc1ccccc1)NO	K7M	(2r)-n-hydroxy-1-phenylpropan-2-amine
+[H]/N=C(\c1cc(c(s1)c2cn(cn2)CCN)c3ccccc3)/N	K7N	5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
+[H]/N=C(/c1cc2c(ccc(c2s1)OC)C(=O)NCCN)\N	K7Q	~{n}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide
+Cc1ccc(cc1c2ccc3c(c2)NC(=O)N3C)NC(=O)c4cccc(c4)C(F)(F)F	K7S	n-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
+[C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	K7V	 neo-inositol pentakisphosphate
+CC(C)[C@@H](C(=O)O)NC(=O)CCSc1ccc(cc1)Cl	K7Z	(2~{s})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid
+Cc1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O	K80	(2s,3r,4s,5s)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol
+Cc1ccc(cc1c2cc(nc(c2)OCCO)N3CCOCC3)NC(=O)c4ccnc(c4)C(F)(F)F	K81	n-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide
+CCCOc1ccc(cc1Cl)CN	K82	1-(3-chloro-4-propoxyphenyl)methanamine
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(cc3)OC	K83	3-hydroxy-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]benzamide
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(o1)c2ccccn2	K84	(9z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one
+CC(C)OC(=O)CCn1cnc(n1)c2cc(cc(c2)OC)C(F)(F)F	K85	propan-2-yl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}propanoate
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC	K86	4-tert-butyl-n-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide
+Cc1cccc(c1NC(=O)CCOc2c(c(nc(n2)c3ncccn3)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)Oc5ccccc5OC)C	K87	3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-n-(2,6-dimethylphenyl)propanamide
+CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c3cc4c([nH]3)CCCC4)/C(=O)N2	K88	(3z)-n,n-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1h-indol-2-ylmethylidene)-2,3-dihydro-1h-indole-5-sulfonamide
+c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F	K89	4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{n}-[3,4,5-tris(fluoranyl)phenyl]benzamide
+c1c(cncc1Br)c2n[nH]nn2	K8A	3-bromo-5-(2h-tetrazol-5-yl)pyridine
+C/C=C/N1CCC(CC1)CCc2ccc(cc2)C(C)C	K8B	4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{e})-prop-1-enyl]piperidine
+CNc1ccc(c(c1)C(=O)O)C(=O)O	K8D	4-(methylamino)benzene-1,2-dicarboxylic acid
+c1cc(c(cc1[N+](=O)[O-])C(=O)O)C(=O)O	K8G	4-nitrobenzene-1,2-dicarboxylic acid
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CN4CCCC45CCNCC5)O)O	K8H	(2~{r},3~{r},4~{s},5~{r})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol
+c1cc(c(cc1F)C(=O)O)C(=O)O	K8J	4-fluorobenzene-1,2-dicarboxylic acid
+c1ccc(cc1)Cc2nc([nH]n2)C(=O)N[C@H]3CCc4cc(cc(c4NC3=O)F)F	K8K	~{n}-[(3~{s})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{h}-1,2,4-triazole-5-carboxamide
+c1cc(ccc1NC(=O)[C@@H]2CC(CN(C2)C(=O)c3cc(cc(c3)F)c4ccncc4)(F)F)Cl	K8M	(3r)-n-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzene-1-carbonyl]piperidine-3-carboxamide
+c1cc2cc(c(nc2cc1CC[C@H]3C[C@H]([C@@H]([C@@H]3O)O)n4ccc5c4ncnc5N)N)Br	K8N	(1~{s},2~{r},3~{s},5~{r})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol
+C[C@@H](C(=O)C=C)N[C@@H]([C@@H](COP(=O)(O)O)O)O	K8P	[(2~{r},3~{r})-2,3-bis(oxidanyl)-3-[[(2~{s})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate
+c1cc2c(c(c1)Br)NC(=O)N2C3CCN(CC3)C(=O)Nc4ccc(cc4)I	K8Q	4-(4-bromanyl-2-oxidanylidene-3~{h}-benzimidazol-1-yl)-~{n}-(4-iodophenyl)piperidine-1-carboxamide
+c1cc(cc(c1)C(=O)N2C[C@H](CC(C2)(F)F)C(=O)Nc3ccc(cc3)Cl)c4ccco4	K8S	(3s)-n-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzene-1-carbonyl]piperidine-3-carboxamide
+c1ccc(cc1)c2ccc(cc2)CCNC(=O)CN3C=CC=C(C3=O)O	K8T	2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{n}-[2-(4-phenylphenyl)ethyl]ethanamide
+c1cc(c(cc1NC(=O)CCCC(=O)O)C(=O)O)C(=O)O	K8V	4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid
+[H]/N=C(\c1cc2cccc(c2s1)c3ccc(c(n3)N)C)/N	K8W	7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide
+c1[nH]c2c(n1)c(c(c(c2I)I)I)I	K8X	4,5,6,7-tetraiodo-1h-benzimidazole
+c1cc(c(cc1NC(=O)CCC(=O)O)C(=O)O)C(=O)O	K8Y	4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid
+c1cc2c(ccc(c2nc1)Oc3cc(ccc3O)Cl)Cl	K91	4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol
+[H]/N=C(/c1cc(c(s1)c2cncn2CCN)c3ccccc3)\N	K92	5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
+CC(C)(C[C@@H](C(=O)O)N)C(F)F	K94	4-(difluoromethyl)-l-leucine
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccccc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	K95	(4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-{[s-methyl-n-(phenylacetyl)-l-cysteinyl]ami no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+c1cc2c(cc1C(=O)O)[nH]cc2CN3CCOCC3	K97	3-(morpholin-4-ylmethyl)-1h-indole-6-carboxylic acid
+C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)O)O)O)O	K99	(2r,3r,4r,5r,6s)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1r,2r)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+Cc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N	K9A	5-{4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine
+[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)(O)O	K9B	(4~{r})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
+CCCCCCCCCCOc1cc(cnc1)CC(P(=O)(O)O)P(=O)(O)O	K9H	{2-[5-(decyloxy)pyridin-3-yl]ethane-1,1-diyl}bis(phosphonic acid)
+CCC(=O)N1CCN(CC1)c2c3c(nc(n2)O[C@H](C)CN(C)C)CN(CC3)c4cc(cc5c4cccc5)O	K9J	1-{4-[2-{[(2r)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
+[B-]12([C@H](Cc3cccc(c3O1)C(=O)O)N=C(O2)CC4CCC(CC4)NCCN)O	K9K	(10ar)-2-(((1r,4r)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10h-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide
+c1cc(cc(c1)F)C[C@H]2C[C@@H]2NCCc3ccnc(n3)n4ccnc4	K9L	(1s,2s)-2-(3-fluorobenzyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine
+CCC(=O)N1CCN(CC1)c2c3c(ncn2)CN(CC3)c4cccc5c4cccc5	K9M	1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
+CCCCCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C	K9P	1-[(1s)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one
+c1ccc(cc1)c2ccc(cc2)C[C@@H](CN)NC(=O)[C@@H]3C[C@H](CN3)O	K9Q	(2~{s},4~{r})-~{n}-[(2~{s})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1ccc2c(c1)c(cs2)CN	K9S	1-(1-benzothiophen-3-yl)methanamine
+CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCOP(=O)(O)O)ncnc2Nc3ccc4c(c3)ncs4	K9T	2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate
+c1ccc(cc1)CCCNC(=O)NC2CCC(CC2)OCc3c(cccc3F)F	K9V	n-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-n'-(3-phenylpropyl)urea
+c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2CCCN2)c3ccc(cc3)C#N	K9W	(2~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)n4cnc5c4ncnc5N	K9Y	1-[4-(6-amino-9h-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2C[C@@H](CN2)O)c3ccc(cc3)C#N	K9Z	(2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCO)ncnc2Nc3ccc4c(c3)ncs4	KA2	2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol
+c1cc(c(c(c1NS(=O)(=O)c2cc(cc(c2Cl)CO)Cl)F)C#Cc3cnc(nc3)N)F	KA4	n-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide
+COc1ccc(c(c1)CNc2ccc3c(c2Cl)c(nc(n3)N)N)OC	KA5	5-chloro-n~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine
+COc1c(cc(cn1)Cl)S(=O)(=O)Nc2ccc(c(c2F)C#Cc3cnc(nc3)N)F	KA7	n-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide
+c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2C[C@@H](CN2)F)c3ccc(cc3)C#N	KA8	(2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N	KAA	5'-o-[(l-lysylamino)sulfonyl]adenosine
+C[C@H]1C[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C\C=C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@@H]([C@H]([C@H](C1)O)C)OC)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)\C=C\N(C)CO)OC)OC)O[C@H](N)O	KAB	kabiramide c
+c1ccc(cc1)C(=O)NCCCC(=O)O	KAC	4-(benzoylamino)butanoic acid
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCC([C@H](Cc2ccccc2)NC(=O)c3ccccc3)(O)O	KAF	n-{(5s)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-l-phenylalanine
+C[C@@H](CC=O)NC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	KAG	2'-deoxy-n-[(1s)-1-methyl-3-oxopropyl]guanosine 5'-phosphate
+C[C@H]([C@@H](CCC(=O)O)O)N	KAH	5-amino-4-hydroxyhexanoic acid
+CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O	KAI	3-(carboxymethyl)-4-isopropenylproline
+c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)NC(=NC2=O)N	KAK	3'-deoxy-guanosine-5'-monophosphate
+C[C@@H](C/C=C/C=C\CCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O	KAL	kalimantacin
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)CCCCCC(=O)O)O	KAM	n-[7-keto-8-aminopelargonic acid]-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane]
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N	KAN	kanamycin a
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)c4cccnc4	KAO	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[4-(pyridin-3-yl)phenyl]urea
+C[C@@H](C(=O)CCCCCC(=O)O)N	KAP	7-keto-8-aminopelargonic acid
+CS[C@H]1C[C@H](NC1)C(=O)N[C@@H](Cc2ccc(cc2)c3ccc(cc3)C#N)CN	KAQ	(2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide
+CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@](C[C@]71C(=O)N(C(=O)O1)CCCl)(C=CC9)CC)C)C(=O)OC)O	KAR	3"-(beta-chloroethyl)-2",4"-dioxo-3, 5"-spiro-oxazolidino-4-deacetoxy-vinblastine
+B(Cn1cc(nn1)c2cccc(c2)C(=O)O)(O)OP(=O)(O)O	KAS	3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1h-1,2,3-triazol-4-yl)benzoic acid
+c1ccc(cc1)N2CCN(CC2)C(=O)n3ccnn3	KAT	(4-phenylpiperazin-1-yl)(1h-1,2,3-triazol-1-yl)methanone
+Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4cc(ncn4)NC(=O)C5CC5	KAV	n-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1h-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide
+c1ccc(cc1)C[C@@H](C(CCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)(O)O)NC(=O)c4ccccc4	KAW	n-{(5s)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-l-tryptophan
+Cc1ccc(c(c1)C(=O)O)C(=O)O	KAY	4-methylbenzene-1,2-dicarboxylic acid
+CN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)C(=O)Nc4ccccc4CC(=O)O	KAZ	2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
+Cc1cc(cc2c1CC(=C2c3ccccc3)c4ccc(cc4)O)O	KB0	2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1h-inden-5-ol
+c1cc(ccc1CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)F	KB1	5'-{[(3s)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino}-5'-deoxyadenosine
+CCCC[C@@H](C(=O)C)n1cc(nn1)[C@](C)(C(C)C)NCc2ccc3c(c2)cccn3	KB2	(3s)-3-(4-{(1s)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1h-1,2,3-triazol-1-yl)heptan-2-one
+COc1ccc2c(c1)NC(=O)CN2c3c4c(cccn4)nc(n3)Cl	KB4	4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+c1nc(c2c(n1)[nH]c(n2)S)N	KB5	6-azanyl-9~{h}-purine-8-thiol
+CCNC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O	KB7	5'-o-(ethylcarbamoyl)guanosine
+Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNCC3	KB8	6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCCn2ccnn2)O)O)O	KBA	2-(1h-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-l-galactopyranoside
+c1cc(c(cc1F)S(=O)(=O)N)F	KBB	2,5-bis(fluoranyl)benzenesulfonamide
+c1ccc(cc1)CNC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	KBD	5'-o-(benzylcarbamoyl)guanosine
+C(C[C@@H](CC(=O)O)N)CN	KBE	beta-lysine
+c1ccc2cc(c(cc2c1)C(=O)NC[C@H]3CCCO3)O	KBF	3-oxidanyl-~{n}-[[(2~{r})-oxolan-2-yl]methyl]naphthalene-2-carboxamide
+C([C@@H]1[C@H]([C@@H](C(=O)[C@@H](O1)O)O)O)O	KBG	beta-d-arabino-hexopyranos-2-ulose
+c1cc(ccc1c2ccc(cc2S(=O)(=O)F)C(=O)O)F	KBH	4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid
+c1c(cc(c(c1F)Nc2nc3cnc(nc3n2[C@H]4CCOC4)NC5CCC(CC5)O)F)F	KBI	trans-4-({9-[(3s)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9h-purin-2-yl}amino)cyclohexanol
+c1ccc(cc1)CCNC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	KBJ	5'-o-[(2-phenylethyl)carbamoyl]guanosine
+CN(C(=O)CO[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O	KBK	[(r)-{2-[hydroxy(methyl)amino]-2-oxoethoxy}(4-methoxyphenyl)methyl]phosphonic acid
+COc1ccc2c(c1)cc(o2)C(=O)c3ccc(cc3)Cl	KBM	(4-chlorophenyl)(5-methoxy-1-benzofuran-2-yl)methanone
+c1[nH]c2c(n1)c(nc(n2)C(F)(F)F)S	KBN	2-(trifluoromethyl)-9~{h}-purine-6-thiol
+CCCCCCC[C@H](CC(=O)SCCNC(=O)C)O	KBP	s-[2-(acetylamino)ethyl] (3r)-3-hydroxydecanethioate
+c1c[nH]c2c1C(=O)NC(=S)N2	KBQ	2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
+CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO	KBR	icaridin
+CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)O)Sc2ccc(cc2)OC	KBS	2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid
+CCCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C	KBT	3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
+CC(C)(C)c1ccc(cc1)C[C@H](CC(=O)O)N	KBV	(3r)-3-amino-4-(4-tert-butylphenyl)butanoic acid
+[C](=O)[Re]12(O3[Re]4(O1[Re]5(O2[Re]3(O45)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)[C]=O	KBW	re4(mu3-oh)4(co)12
+CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)N[C@H](Cc2ccc(cc2)C(C)(C)C)CC(=O)NCC(=O)O)Sc3ccc(cc3)OC	KBY	n-[(3r)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine
+c1cc(ccc1C#N)S(=O)(=O)N	KBZ	4-cyanobenzenesulfonamide
+CCC\1=C(c2/cc\3/c(c(c4/n3[Mg]n5c(/cc1\n2)c(c6c5/c(c/7\nc(\c4)C(=C7/C=C/C(=O)O)C)/[C@H](C6=O)C(=O)OC)C)C)C=C)C	KC1	chlorophyll c1
+Cc1/c/2c/c3n/c(c/4\c5c(c(c/6n5[Mg]n2/c(/c1C=C)c\c7n/c(c6)/C(=C7C)C=C)C)C(=O)[C@@H]4C(=O)OC)/C(=C3C)/C=C/C(=O)O	KC2	chlorophyll c2
+CNC(=O)c1ccc(cc1)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F	KC4	n-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide
+COc1ccc(cc1)N/C=C\2/c3c(c4c(o3)cc(c(c4Cl)O)Cl)CCC2=O	KC5	(4~{z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
+c1cnc(cc1C(=O)NCCN)c2cc(ccn2)C(=O)O	KC6	4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid
+c1ccc(cc1)COc2cccc3c2c(ncn3)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO	KC7	(1r,2s,3r,5r)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol
+C[C@@]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3	KC8	2-[4-[(4~{s})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{h}-quinazolin-4-one
+CC(C)(C)[C@@H](C(=O)OC)NC(=O)c1c2ccccc2n(n1)Cc3ccc(cc3)F	KCA	methyl n-{1-[(4-fluorophenyl)methyl]-1h-indazole-3-carbonyl}-3-methyl-l-valinate
+CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(cc3nc2)OC(F)F)O	KCD	7-(difluoromethoxy)-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
+C[C@H](Cc1ccc(cc1)C(C)(C)C)[C@@H](c2nnnn2Cc3ccc4c(c3)OCO4)NN	KCE	[(1~{s},2~{r})-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]-3-(4-~{tert}-butylphenyl)-2-methyl-propyl]diazane
+c1cc(c(cc1N)c2cc(ccn2)C(=O)O)O	KCH	2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid
+c1c(ncs1)C[C@@H](C(=O)O)N	KCJ	3-(1,3-thiazol-4-yl)-l-alanine
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)N	KCM	n-[(4s,5s)-4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]guanidine
+O=[W]123O[W]456(=O)O[Co]78O[W]9%10%11(=O)O77[Si@]%12%13O11[W]%14(=O)(O2)(O9)O[W]11(=O)(O3)O[W]23(=O)(O4%12[W]4(=O)(O5)(O2)O[W]7(=O)(O8)(O%10)O[W]25(=O)(O%11)O%137[W](=O)(O%14)(O1)(O2)O[W]7(=O)(O4)(O3)O5)O6	KCO	 co-substituted beta-keggin
+CC1=C(N[C@@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2cccs2)C(=O)O	KCP	2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methyl-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+CC(=O)[C@H](C[C@@H]1CCNC1=O)N	KCQ	(3s)-3-[(2s)-2-amino-3-oxobutyl]pyrrolidin-2-one
+C/C=C/C(=O)NCCCC[C@@H](C(=O)O)N	KCR	n-6-crotonyl-l-lysine
+C(=S)(S)S	KCS	carbonotrithioic acid
+c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)N[C@@H]4C(=O)O	KCT	(5s)-7-oxo-6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid
+C(CCNC(=O)O)C[C@@H](C(=O)O)N	KCX	lysine nz-carboxylic acid
+C(CS)[C@H](C(=O)O)N	KCY	d-homocysteine
+C[C@@H](CNCCc1ccc(c(c1)O)O)c2ccccc2	KCZ	4-[2-[[(2~{r})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O	KD0	3-deoxy-8-o-phosphono-d-manno-oct-2-ulosonic acid
+C([C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O	KD5	4,7-anhydro-3-deoxy-d-manno-oct-2-ulosonic acid
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cscn3)NC(=O)CCc4ccccc4	KD7	n-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-l-alanyl-n-[(1s,2s)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-l-valinamide
+Cc1c(nc2c(n1)C(=O)NC(=S)N2)C	KD8	6,7-dimethyl-2-sulfanylidene-1~{h}-pteridin-4-one
+C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C(=O)O	KDA	prop-2-en-1-yl 3-deoxy-alpha-d-manno-oct-2-ulopyranosidonic acid
+C1C=C[C@@](O[C@@H]1[C@@H](CO)O)(C(=O)O)O	KDB	3,4,5-trideoxy-alpha-d-erythro-oct-3-en-2-ulopyranosonic acid
+C1[C@H](OC(=CC1O)C(=O)O)[C@@H](CO)O	KDD	2,6-anhydro-3,5-dideoxy-d-ribo-oct-2-enonic acid
+C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@H](CO)O)O)O)C(=O)O	KDE	prop-2-en-1-yl 3-deoxy-beta-l-gulo-oct-2-ulopyranosidonic acid
+C1[C@@H]([C@H](O[C@]1(C(=O)O)O)CO)O	KDF	3-deoxy-alpha-d-erythro-hex-2-ulofuranosonic acid
+C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O	KDG	2-keto-3-deoxygluconate
+c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O	KDH	(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCCOC)N	KDI	3-amino-n-(3-methoxypropyl)-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}pyrazine-2-carboxamide
+[C@H]1([C@H](C([C@H]([C@@H](C1NC(=O)C(F)(F)P(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	KDJ	(1,1-difluoro-2-oxo-2-{[(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid
+[H]/N=C(/c1cc(c(s1)CC2CCNCC2)c3ccccc3)\N	KDK	4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide
+CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC	KDL	(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-[(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-3-oxidanyl-5-[[(3~{r})-3-oxidanyltetradecanoyl]amino]-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O	KDM	deamino-alpha-neuraminic acid
+C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O	KDN	deamino-beta-neuraminic acid
+C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O	KDO	3-deoxy-alpha-d-manno-oct-2-ulopyranosonic acid
+C([C@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O	KDP	2-keto-deoxy-galactose
+c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CO)Cl	KDQ	(2~{s})-~{n}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide
+C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C=O	KDR	prop-2-en-1-yl 3-deoxy-alpha-d-manno-octos-2-ulopyranoside
+c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F	KDS	4-[(quinolin-3-yl)methyl]-n-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
+CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)N)S(=O)(=O)c3ccccc3	KDT	n-(6-amino-1-(4-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+c1ccc2c(c1)cc(cn2)C#N	KDV	quinoline-3-carbonitrile
+Cc1cc(c(cc1OCc2cccc(c2C)c3cccc(c3C)COc4cc(c(cc4C)CNCCNC(=O)C)OCc5cc(cnc5)C#N)OCc6cc(cnc6)C#N)CNCCNC(=O)C	KDW	~{n}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide
+c1cc(c2cc[nH]c2c1)CCN	KDY	2-(1h-indol-4-yl)ethan-1-amine
+[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O	KDZ	(3~{r})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid
+C[C@@H]1[C@@H](NC(=C1S[C@@H]2C[C@@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O	KE1	meropenem, bound form
+Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	KE2	(3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)CN)O	KE4	(4r)-5-amino-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
+Cc1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O	KE5	(3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
+C[C@H](C(F)(F)F)Oc1cc(ccc1Nc2nc3c(c(c[nH]3)Cl)c(n2)OC4CCC(CC4)(C)O)C(=O)N(C)C	KE7	4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7h-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-n,n-dimethyl-3-{[(2r)-1,1,1-trifluoropropan-2-yl]oxy}benzamide
+CC1(c2c(cc(s2)c3ccnc(n3)Nc4ccnn4C)C(=O)N1CCN5CCOCC5)C	KE8	6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
+C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)/C=C/C(=O)O)F	KE9	(e)-3-(3,5-difluoro-4-((1r,3r)-2-(2-fluoro-2- methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1h-pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=[N-]	KEA	2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate)
+Cc1cc(cc(c1O)C)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	KEB	(3~{s},6~{s})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
+c1ccc2c(c1)C(=CC(=O)N2)CP(=O)(O)O	KED	[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
+c1ccc(cc1)[C@@H]2[C@H]([C@@H]2C(=O)NO)c3ccc(cc3)c4cnco4	KEE	(1r,2r,3r)-2-[4-(1,3-oxazol-5-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide
+CON=C(c1ccco1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O	KEF	cefuroxime (oct-3-ene form)
+O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%12%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)(O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[W]1(=O)(O6)(O5)O%12	KEG	12-tungstophosphate
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)I)O)O	KEH	(3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
+Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cnn4c3nccc4	KEJ	n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CCc1ccccc1Cl	KEK	(3e,5r)-8-(2-chlorophenyl)-5-methyl-2,6-dioxooct-3-enoate
+C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO	KEL	n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-alanine
+C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CC[C@@H]1[C@H]2CC[C@@H]([C@]2(CCC1=O)C)O	KEM	(3e,5r)-8-[(1s,3ar,4r,7as)-1-hydroxy-7a-methyl-5-oxooctahydro-1h-inden-4-yl]-5-methyl-2,6-dioxooct-3-enoate
+CN(C)C	KEN	n,n-dimethylmethanamine
+C(C[C@@H](CC(=O)NCC[C@@H](C[C@@H](C(=O)O)N)O)N)CN	KEO	e(r)-beta-lysyl-hydroxylysine
+Cn1cc(c(n1)c2cc(ccc2OC(F)F)Cl)NC(=O)c3cnn4c3nccc4	KEP	n-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1h-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+COc1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	KEQ	(3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
+c1cnc2c(cnn2c1)C(=O)Nc3cn[nH]c3c4cc(ccc4OC(F)F)Cl	KES	n-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1h-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C=NC(CC(=O)O)C(=O)O)O	KET	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethylene)-amino]-succinic acid
+c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	KEU	n-{4-[(1r)-4-[(2r,4r,5s)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]benzoyl}-d-glutamic acid
+Cn1cc2cncc(c2n1)C(=O)Nc3cn(nc3c4cc(ccc4OC)Cl)C	KEV	n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]-2-methyl-2h-pyrazolo[4,3-c]pyridine-7-carboxamide
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)Cl)O)O	KEW	(3~{s},6~{s})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
+Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cncc4c3[nH]nc4	KEY	n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]-1h-pyrazolo[4,3-c]pyridine-7-carboxamide
+C#Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	KEZ	3-acetylene dicyclotyrosine
+COc1cc2ccccc2cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5	KF1	n-[5-(3-methoxynaphthalen-2-yl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)C=O	KF2	[(1~{r})-1-azanyl-3-phenyl-propyl]-[(2~{s})-2-methanoyl-4-methyl-pentyl]phosphinic acid
+COc1cc2c(cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5)cn[nH]2	KF4	n-[5-(6-methoxy-1h-indazol-5-yl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@@H]3CCCCO3)N	KF5	9-[(2~{s})-oxan-2-yl]purin-6-amine
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@H](Cc4ccccc4)P(=O)(O)O	KF7	[(1s)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O	KFA	[(1r)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
+C(CCN)CC(=O)O	KFB	5-aminovaleric acid
+c1cc(nc(c1)C(=O)Nc2cc3c(cc2N4CCCCC4)oc(n3)N5CCOCC5)c6cc7cc[nH]c7nc6	KFD	n-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1h-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
+C1C2CC3CC1CC(C2)(C3)COCCCCCNC(=O)[C@@H]4[C@H]([C@H]([C@H](N4)CO)O)O	KFE	(2~{s},3~{r},4~{s},5~{r})-~{n}-[5-(1-adamantylmethoxy)pentyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidine-2-carboxamide
+COP(=O)(O)OC	KFG	dimethyl hydrogen phosphate
+c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	KFH	2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
+c1cc(ccc1C[C@H]([C@@H](C(=O)O)N)O)[N+](=O)[O-]	KFJ	4-(4-nitrophenyl)-l-threonine
+Cc1c(c(n(n1)C)C)CCOc2c(ccc(c2F)F)c3ccc4c(c3)c(nn4C)CN(C)C	KFK	1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine
+C1=C(O[C@H]([C@@H]([C@H]1O)O)[C@@H]([C@@H](CO)O)O)C(=O)O	KFN	2,6-anhydro-3-deoxy-d-glycero-d-galacto-non-2-enonic acid
+c1c(nc2c(n1)N=C(NC2=O)N)CNCCCC[C@H](C(=O)O)N	KFP	n~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-d-lysine
+c1ccc-2c(c1)NC(=O)c3n2c(nn3)S	KFQ	1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5h)-one
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)O	KFS	[4-(4-cyano-3-methylphenoxy)phenyl]acetic acid
+CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O	KFT	(2~{s},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-~{n}-pentyl-pyrrolidine-2-carboxamide
+CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	KFV	[1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
+C1C[C@H]([C@@H](NC1)CO)O	KFW	(2~{s},3~{r})-2-(hydroxymethyl)piperidin-3-ol
+C/C=C/Cn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC	KFY	9-[(2e)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9h-purin-6-amine
+CCc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O	KFZ	2-{[(2,5-dichlorophenyl)methyl]sulfanyl}-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O	KG1	propadienyl 6-deoxy-alpha-l-galactopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)O)O)O)N	KG4	5'-o-[(r)-(carboxyoxy)(hydroxy)phosphoryl]adenosine
+c1cc(ccc1COCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)c3ccc4c(c3)OCCCO4	KG5	(2~{r},3~{r},4~{r},5~{s})-1-[5-[[4-(3,4-dihydro-2~{h}-1,5-benzodioxepin-7-yl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
+C/C(=N\O)/C(=O)O	KG7	(2e)-2-(hydroxyimino)propanoic acid
+c1ccc(cc1)CCCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O	KG8	(5~{r},6~{r},7~{s},8~{s})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
+CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	KGA	[1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
+c1ccc(cc1)COCCN2CC([C@H]([C@H]([C@@H]2CO)O)O)O	KGB	(2~{s},3~{s},4~{r})-2-(hydroxymethyl)-1-(2-phenylmethoxyethyl)piperidine-3,4,5-triol
+C1C[C@@](OC1=O)(C(=O)O)NCCCC[C@@H](C(=O)O)N	KGC	n~6~-[(2r)-2-carboxy-5-oxotetrahydrofuran-2-yl]-l-lysine
+CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C	KGD	beta,psi-caroten-4-one
+C1C=C[C@H]([C@@H](N1)CO)O	KGE	(2~{s},3~{r})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
+COc1ccc(cc1)[C@]2(C[C@H](C(=N2)N)OC)c3cccc(c3)c4cccnc4	KGG	(3r,5r)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine
+C([C@H]1[C@@H]([C@H]([C@H]([C@H]([C@@H]1O)O)O)O)N)O	KGH	(1~{r},2~{s},3~{r},4~{r},5~{s},6~{r})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	KGJ	[1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
+Cc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	KGK	2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide
+CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	KGM	heptyl alpha-d-mannopyranoside
+C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	KGN	d-chiro inositol hexakisphosphate
+C[C@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	KGP	(2r)-sulfonatepropionyl-amino(dethia)-coa
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC	KGQ	diethyl ({4-[(2s,3r)-2-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}butyl]phenoxy}methyl)phosphonate
+C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-]	KGR	5-keto-4-deoxyglucarate
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)C(=O)O	KGT	n-(4-carboxy-4-oxobutanoyl)-l-cysteinylglycine
+CCN1c2cc(c(cc2N(C(=O)C1=O)CC)N3CCCCC3)NC(=O)CN4CCN(CC4)C	KGU	~{n}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide
+c1ccc(cc1)C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N	KGV	3'-deoxy-3'-(d-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)
+CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCOCC4	KGW	2-(4-(2-methoxy-4-morpholinophenylamino)-1,3,5-triazin-2-ylamino)-n-methylbenzamide
+CC#CCOc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)c3c(noc3C)C)C(=O)NO	KGY	4-({[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}methyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-n-hydroxypiperidine-4-carboxamide
+c1cc(ccc1CN2CC[C@]([C@@H](C2)F)(CC#N)n3cc(c(n3)NC(=O)C4CC4)C(=O)N)C5=CCCCC5	KGZ	1-[(3~{r},4~{r})-4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoranyl-piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
+CCC(CC)(CCCO[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O	KH1	5-(2-{1-[1-(4-ethyl-4-hydroxy-hexyloxy)-ethyl]-7a-methyl-octahydro-inden-4-ylidene}-ethylidene)-4-methylene-cyclohexane-1,3-diol
+C[N+]1(CCCCC1)CCCS(=O)(=O)[O-]	KH2	3-(1-methylpiperidinium-1-yl)propane-1-sulfonate
+CCCCCCNCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KH3	5'-{[(3s)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1c[nH]cn1)O	KH4	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1h-imidazole-4-carbothioate
+c1ccc(cc1)c2ccc(cc2)CN3CCC(CC3)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N	KH5	1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
+c1ccc(cc1)c2ccc(cc2O)CN3CCC(CC3)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N	KH8	1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
+C[N+]1(CCCCC1)Cc2ccc(cc2)C(=O)NCCO	KHA	1-(4-{[(2-hydroxyethyl)amino]carbonyl}benzyl)-1-methylpiperidinium
+C[C@@H](CC(=O)NCCCC[C@@H](C(=O)O)N)O	KHB	n~6~-[(3s)-3-hydroxybutanoyl]-l-lysine
+Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@H]3C#N)CCNCC4	KHC	(4~{s})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile
+CCC(=O)Nc1cccc(c1)Oc2ccnc(c2c3ccc(cc3)Oc4ccccc4)N	KHD	n-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide
+c1ccc(cc1)c2ccc(cc2)CN3CC[C@]([C@@H](C3)F)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N	KHE	1-[(3~{r},4~{r})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
+C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5	KHG	(1s,3r,5r,7s)-n-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+COC(=O)Nc1c(cn(n1)[C@]2(CCN(C[C@H]2F)Cc3cc(c(cc3F)C=C)O)CC#N)C(=O)N	KHH	methyl ~{n}-[4-aminocarbonyl-1-[(3~{r},4~{r})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate
+C[n+]1ccc(cc1)c2cc[n+](cc2)C	KHJ	1,1'-dimethyl-4,4'-bipyridin-1-ium
+c1cc2c(cc1N(=O)=O)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81)C=CC=C36	KHK	ruthenium (bis-(phenanthroline)) (11-nitro-dipyridophenazine)
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O	KHM	(1r,2s)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
+c1cc2c(c(c1)[N+](=O)[OH-])nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=CC=C9)C=CC2=CC=C[N]7=C21)[N]1=C2C(=CC=C1)C=CC1=CC=C[N]8=C12	KHN	ruthenium (bis-(phenanthroline)) (10-nitro-dipyridophenazine)
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O	KHP	4-nitrophenyl alpha-l-arabinofuranoside
+C[C@H](c1ccnc(c1)Nc2[nH]c3ccc(cc3n2)c4cnn(c4)CC5CC5)N6CCN(CC6)C(=O)CC(F)(F)F	KHQ	1-[4-[(1~{r})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{h}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one
+CC(C)(C(=O)NCCSc1ccccc1Cl)S(=O)(=O)c2ccc(cn2)C(F)(F)F	KHS	n-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
+c1cc2c(cc1C(=O)NCC3=CC3)nc([nH]2)Nc4cc(ccn4)CN5CCN(CC5)C(=O)CC(F)(F)F	KHT	~{n}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{h}-benzimidazole-5-carboxamide
+CCC[C@H](c1nnnn1Cc2ccccc2)NN	KHW	[(1~{r})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane
+Cc1ncc(n1C)[C@](c2ccc3c(c2)c(c(c(n3)OC)CN4CCC(CC4)C(F)(F)F)Cl)(c5ccnc(c5)C(F)(F)F)O	KHY	(s)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1h-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol
+C(c1[nH]nnn1)NN	KHZ	1~{h}-1,2,3,4-tetrazol-5-ylmethyldiazane
+c1cc(c(cc1C2(CCN(CC2)C(=O)CCS)O)C(F)(F)F)Cl	KI1	1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one
+c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)NC(=O)OCc2ccccc2	KI2	3-benzyloxycarbonylamino-2-hydroxy-4-phenyl-butyric acid
+Cc1cc(nc2c1c(c(s2)C(=O)c3ccccc3)N)O	KI3	3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol
+Cc1cc(nc(n1)SCCO)C	KI5	2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol
+c1c(cc(c2c1c3c([nH]2)c(c(c(c3Cl)Cl)Cl)O)Cl)Cl	KI9	2,3,4,6,8-pentachloro-9h-carbazol-1-ol
+COC1=CC(=O)C=C(C1=O)OC	KIA	2,6-dimethoxycyclohexa-2,5-diene-1,4-dione
+COc1cc(cc(c1O)OC)O	KIB	2,6-dimethoxybenzene-1,4-diol
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O	KIF	kifunensine
+c1cc(cc(c1)Oc2cc(cc(c2O)O)C(=O)O)[N+](=O)[O-]	KIJ	3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid
+C=CC(=O)[C@H](CO)N	KIK	(4~{s})-4-azanyl-5-oxidanyl-pent-1-en-3-one
+Cc1c2ccc(cc2[nH]n1)N(C)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC	KIM	n~4~-methyl-n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
+c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Oc3ccncc3)C(F)(F)F	KIN	1-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
+c1c(c(cc(c1F)F)F)[C@H]2CC=C(C[C@@H]2N)C(=O)N3CCn4c(nnc4C(F)(F)F)C3	KIQ	(1s,6r)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]carbonyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-amine
+CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CNC2=O)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O	KIR	kirromycin
+c1cc(cc(c1)[N+](=O)[O-])COc2cc(cc(c2)C(=O)O)C(=O)O	KIU	5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid
+CC(C)C(=O)C(=O)O	KIV	3-methyl-2-oxobutanoic acid
+c1cc(cc(c1)[N+](=O)[O-])CNc2cc(cc(c2)C(=O)O)C(=O)O	KIW	5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid
+CCCCCCCCC(=O)NCCCCCCCC(=O)N	KJ1	n-(8-amino-8-oxooctyl)nonanamide
+c1cc(ccc1c2cn[nH]c2c3cc(c(cc3O)O)Cl)OCCCN	KJ2	4-{4-[4-(3-aminopropoxy)phenyl]-1h-pyrazol-5-yl}-6-chlorobenzene-1,3-diol
+[H]/N=C\1/N(C[C@@H](N1CCCC2CCCCC2)CCCN/C(=N/[H])/N)CCN(C)CCn3ccnc3N	KJ4	n-{3-[(2z,4s)-1-(2-{[2-(2-amino-1h-imidazol-1-yl)ethyl](methyl)amino}ethyl)-3-(3-cyclohexylpropyl)-2-iminoimidazolidin-4-yl]propyl}guanidine
+CCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	KJ5	4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
+c1ccc(cc1)C[C@H]2CN=C(N2)N	KJ7	(5s)-5-benzyl-4,5-dihydro-1h-imidazol-2-amine
+CN(C)CCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	KJ8	n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]-n~3~,n~3~-dimethyl-beta-alaninamide
+	KJB	3,3,3-tris(fluoranyl)-1-[4-[(1~{r})-1-[2-[[(2~{s})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{h}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one
+c1cc(ccc1c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F)S(=O)(=O)N	KJD	4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide
+CCC1=C[C@H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC	KJE	18-carboxymethoxy-cleaviminium
+c1ccc(cc1)C2=C(C(=O)C(=C(C2=O)O)c3ccccc3)O	KJG	2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione
+C=C1c2ccccc2C=CC1=O	KJH	1-methylidenenaphthalen-2-one
+Cc1c(cc(c2c1CCCO2)F)c3c4c(nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)CCN(C4)C[C@H]5C[C@H]5c6ccccc6	KJJ	(2~{s})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{h}-chromen-6-yl)-2-methyl-6-[[(1~{s},2~{r})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{h}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O	KJK	(3~{r})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
+C[C@H]1/C=C/C=C(/[C@H]([C@H]([C@@H](/C=C/C(=C\C(=C/[C@@H]([C@@H](/C=C(/C/C=C(/C(=O)O[C@@H]1c2csc(n2)[C@H](CC(C)C)OC(=O)NC)\C)\C)O)C)\C)/C)O)C)OC)\C	KJL	archazolid a
+[H]/N=C(\C1(CCC1)c2cccc(c2)Cl)/N	KJM	1-(3-chlorophenyl)cyclobutane-1-carboximidamide
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(C[C@H]4C)c5cn(c6c5cc(cc6)C(=O)O)C)c7c(nn(c7C)C)C)Cl	KJP	3-[(4r)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1h-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1h)-yl]-1-methyl-1h-indole-5-carboxylic acid
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	KJQ	(2s)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
+CC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	KJR	n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide
+CCCOc1ccc(cc1)CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(noc5C)C	KJS	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1h-benzimidazole
+CC[N+](=C1CCC2CC(C(=O)CC2C1)C(NCCOCCOCCN(C[C@@H]3CCCN(C3)Cc4ccccc4)S(=O)(=O)c5ccc6ccccc6c5)O)CC	KJT	diethyl-[6-[[2-[2-[2-[naphthalen-2-ylsulfonyl-[[(3~{r})-1-(phenylmethyl)piperidin-3-yl]methyl]amino]ethoxy]ethoxy]ethylamino]-oxidanyl-methyl]-7-oxidanylidene-1,3,4,4~{a},5,6,8,8~{a}-octahydronaphthalen-2-ylidene]azanium
+c1cc2c(cc1Cl)NC(=O)CO2	KJU	6-chloro-2h-1,4-benzoxazin-3(4h)-one
+CN(C)CCCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	KJV	4-(dimethylamino)-n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide
+CC(C)[C@@H]([C@H](C(=O)O)N)O	KJW	(d)3-hydroxy-leucine
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C	KJX	(2s,4as,4bs,7r,8s,8as,9r,10ar)-7-[(2r,3r)-7-hydroxy-3,7-dimethyloctan-2-yl]-4a,7,8-trimethyltetradecahydrophenanthrene-2,9-diol
+Cc1cc(c(c(c1C=O)O)C)O	KJY	2,4-dihydroxy-3,6-dimethylbenzaldehyde
+c1ccc2c(c1)cccc2/C=N/N(CC(=O)O)C(=O)CCC(=O)Nc3ccccc3Cl	KJZ	[(2e)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid
+CCCCCCCCNc1cc(nc(n1)N)c2ccc(cc2)OC	KK1	6-(4-methoxyphenyl)-n~4~-octylpyrimidine-2,4-diamine
+c1cc(ccc1c2cc(nc(n2)N)N3CCOCC3)C(F)(F)F	KK2	4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
+CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F	KK3	4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
+CCCc1nc2c(cccc2n1Cc3ccc\4c(c3)COc5ccccc5/C4=C(\C)/C6=NOC(=O)N6)C	KK4	3-[(1e)-1-{8-[(4-methyl-2-propyl-1h-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6h)-ylidene}ethyl]-1,2,4-oxadiazol-5(4h)-one
+O=[W]1234O[Zn]56O[W]78(=O)(O1)O2[P@@]91=O2%10=[W]%11%12(=O[W]22%13(=O)O[W]%10(=O)(O7)(O%11)O[W]7%10(=O)(O8)O98[W]9(=O)(O5)(O7)O[W]57(=O)(O6)O11[W](=O)(O3)(O5)(O%12)O[W]1(=O)(O7)(O2)O[W]8(=O)(O9)(O%13)O%10)(=O)O4	KK5	zn-substituted alpha-keggin
+COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5N(C4=O)c6ccc(c(c6)C#N)F	KK6	5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4h-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile
+Cn1cnnc1c2cccc(c2)NC(=O)c3ccccn3	KK7	n-[3-(4-methyl-4h-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
+c1cc(cc(c1)NC(=O)c2cc(ccn2)c3cccnc3)c4nncn4C5CC5	KK8	n-[3-(4-cyclopropyl-4h-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
+CCC(=O)Nc1ccc(c(c1)Oc2ccc(cc2)Cl)C	KK9	n-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide
+C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CCS)C(=O)O	KKA	(2s)-2-azanyl-6-oxidanylidene-6-[[(2s)-1-oxidanyl-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]hexanoic acid
+CC(=O)N[C@@H](CC(=O)O)C(=O)O	KKD	n-acetyl-l-aspartic acid
+[B+]1(c2cc(ccc2CO1)NC(=S)Nc3ccccc3)(O)O	KKE	1-[1,1-bis(oxidanyl)-3~{h}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea
+c1cc(ccc1/C=C/C(=O)N2CCC3(CC2)CN(C(=O)O3)Cc4ccc(c(c4)Cl)Cl)Cl	KKF	8-[(2e)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
+c1ccc2c(c1)C(=O)N(C=N2)CC(=O)O	KKG	(4-oxoquinazolin-3(4h)-yl)acetic acid
+B1(c2cc(ccc2CO1)NC(=O)Nc3ccccc3)(O)O	KKH	1-[1,1-bis(oxidanyl)-3~{h}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea
+CCCCCC[C@@H]([C@@H](CCCCCC)O)C(=O)O	KKJ	(2s,3r)-2-hexyl-3-hydroxynonanoic acid
+CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl	KKK	1-acetyl-4-(4-{[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
+C#Cc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)N	KKL	4-amino-n-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
+C[C@@H](CO)NC(=O)c1cnn2c1nc(cc2O)c3ccccc3	KKM	7-hydroxy-n-[(2s)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC1=C2C=COC=C2OC1=O	KKN	3-methyl-2h-furo[2,3-c]pyran-2-one
+CNC(=O)c1cnn2c1nc(cc2O)c3ccccc3	KKP	7-hydroxy-n-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(c(c1)C(=O)N2CCN(CC2)Cc3c(nc4n3cccc4)c5ccc(cc5)Br)F	KKQ	[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
+CC(=CC(=O)CCC(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6)C	KKR	1-[4-[[2-(1h-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione
+c1ccc2c(c1)cccc2CC3=C(NC(=O)C(=C3)O)c4ccc(cc4)c5[nH]nnn5	KKS	3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1h-tetrazol-5-yl)phenyl]pyridin-2(1h)-one
+CCCCS(=O)(=O)N(C)C1=C(N(C(=O)NC1=O)Cc2ccccc2)N	KKT	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbutane-1-sulfonamide
+c1cc(ccc1C2=C(NC(=O)C(=C2)O)c3ccc(cc3)F)C(=O)O	KKV	4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3C	KKY	6-[2-(3-fluoro-5-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+c1ccn2c(c1)nc(c2CN3CCN(CC3)C(=O)c4cccc(n4)OC(F)(F)F)c5ccc(cc5)Cl	KKZ	[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C	KL1	6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[V](O4)(O)(O)O)N	KL2	adenosine-2',3'-vanadate
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3	KL4	6-[2-(3-fluoro-5-{2-[(2s)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+[B-]1(c2cc(ccc2CO1)NC(=S)NCc3ccccc3)(O)O	KL5	1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea
+Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F	KL7	6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine
+[B-]1([C@@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O	KL8	(3~{s})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F	KLA	6-[2-(3-fluoro-5-{2-[(2r,4s)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+[H]/N=C(\c1cc(c(s1)c2cnc[nH]2)c3ccccc3)/N	KLB	5-(1~{h}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F	KLD	6-[2-(3-fluoro-5-{2-[(2r,4s)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+[H]/N=C(\c1ccc(s1)c2ccccc2)/N	KLE	5-phenylthiophene-2-carboximidamide
+c1ccc(cc1)CCS(=O)(=O)NCC(=O)NO	KLG	n-hydroxy-n~2~-[(2-phenylethyl)sulfonyl]glycinamide
+c1ccc(cc1)CCS(=O)(=O)N2CCC[C@@H]2C(=O)NO	KLH	n-hydroxy-1-[(2-phenylethyl)sulfonyl]-d-prolinamide
+CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4F)C(F)(F)F)c5nc(on5)Cc6ccccc6	KLI	3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1h)-one
+COc1ccc(cc1)CCS(=O)(=O)NCC(=O)NO	KLJ	n-hydroxy-n~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide
+Cc1c2c(c([nH]1)C(=O)NC)CCCCC2=O	KLK	~{n},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=O)N3)c4ccc5c(c4)CCC5)O	KLM	8-(2,3-dihydro-1h-inden-5-yl)-2-({4-[(2s)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione
+CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl	KLN	1-acetyl-4-(4-{[(2s,4r)-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
+Cc1cccc(c1CNC2=C3C=C4C=C(C(=CC4=C3N=N2)OC)NS(=O)(=O)C)C	KLP	n-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide
+c1c(cc(c(c1F)CNC(=O)C2=CN3C[C@@H]4N([C@H]5CC[C@H](C5)O4)C(=O)C3=C(C2=O)O)F)F	KLQ	bictegravir
+CNC(=O)NC(=N)Nc1ccccc1	KLS	1-methyl-3-(n-phenylcarbamimidoyl)urea
+c1ccc2c(c1)C(=O)N[C@@]2(c3ccc(c(c3)S(=O)(=O)N)Cl)O	KLT	2-chloro-5-[(1s)-1-hydroxy-3-oxo-2h-isoindol-1-yl]benzenesulfonamide
+CC1=CC(=O)Oc2c1ccc(c2)OP(=O)(O)O	KLV	4-methylumbelliferyl phosphate
+c1ccc(c(c1)C(=O)N)C(=O)O	KLW	2-carbamoylbenzoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC	KLY	6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
+[H]/N=C(\c1cc2c(s1)cc(cc2Cl)CS)/N	KLZ	4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
+c1ccc(cc1)COc2ccc(c3c2nccc3)Cl	KM0	8-(benzyloxy)-5-chloroquinoline
+c1cc(cc(c1)Cl)COc2ccc(c3c2nccc3)Cl	KM1	5-chloro-8-[(3-chlorobenzyl)oxy]quinoline
+[H]/N=C(\c1cc2cccc(c2s1)N[C@@H](C)CN)/N	KM2	7-[[(2~{s})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide
+c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	KM3	{n-(4-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}butyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
+CCN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC	KM5	methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCN(C)C	KM7	6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
+[H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)CC)/N	KM8	~{n}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3	KMA	6-[2-(3-fluoro-5-{2-[(2r)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+c1ccc(cc1)SCc2cc(cc3c2N=C(NC3=O)N)CN	KMB	2-amino-6-aminomethyl-8-phenylsulfanylmethyl-3h-quinazolin-4-one
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3C	KMD	6-[2-(3-fluoro-5-{2-[(2r)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+C/C=C/O[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)OC)O)O)C(=O)O	KME	(1e)-prop-1-en-1-yl 3-deoxy-7-o-methyl-alpha-d-manno-oct-2-ulopyranosidonic acid
+CCCCS(=O)(=O)Nc1ccc2c(c1)c([nH]n2)C	KMG	n-(3-methyl-2h-indazol-5-yl)butane-1-sulfonamide
+C[C@@H](CC(=O)CC(=O)O)N	KMH	(5s)-5-amino-3-oxo-hexanoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C)F	KMJ	6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine
+COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(CCCO)Cc3cnc4c(n3)c(nc(n4)N)N	KMK	methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate
+Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F	KMM	6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)C#C)C#CCOc3ccccc3	KMN	2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol
+c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O	KMP	3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one
+C/C=C/CO[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	KMQ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{s})-4-[(~{e})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C	KMS	6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
+CSCCC(=O)C(=O)O	KMT	4-(methylsulfanyl)-2-oxobutanoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C#CCNC	KMV	6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
+c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N	KMW	3-(4-aminocarbonylphenoxy)benzamide
+c1ccc2c(c1)c(c(s2)C(=O)NO)Cl	KMY	3-chlorobenzothiophene-2-carbohydroxamic acid
+c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O	KN0	4-[1-benzyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	KN1	4-[1-allyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+c1cc2c(cc1O)[nH]nc2c3ccc(cc3O)O	KN2	4-(6-hydroxy-1h-indazol-3-yl)benzene-1,3-diol
+CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C	KN3	4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@@H]3CCCN3C	KN4	6-[2-(2,3-difluoro-5-{2-[(2r)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC	KN9	n-[2-[[[3-(4'-chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-n-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide
+CCCCCCCCC(=O)O	KNA	nonanoic acid
+CS(=O)(=O)C[C@@H](C(=O)O)N	KNB	3-(methylsulfonyl)-l-alanine
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N	KNC	kanamycin c
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3COCCN3C	KND	6-[2-(2,3-difluoro-5-{2-[(3s)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C\CC[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)O[C@H]5C[C@H]6[C@@H]([C@H](O5)C)OCO6)C)OC(=O)C)C)O)C)O)[C@H](C)OC(=O)C(C)(C)CC(=O)O)/C)O)O	KNG	kanglemycin a
+CCC[C@H]1C(=O)NC[C@H](C[C@@H]([C@@H](CC/C(=C/C=C\[C@@H](CCCC(=O)CCCC[C@H](C[C@@H](C(=O)O1)C)C)CC)/COC)O)O)O	KNH	myxovirescin a
+CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O	KNI	(4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-s-methyl-l-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
+Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)NCC(=C)C)(C)C)O)C)N	KNJ	(4r)-3-[(2s,3s)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-n-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide
+c1cc(c(c(c1)Cl)OCC(=O)O)Cl	KNL	(2,6-dichlorophenoxy)acetic acid
+CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(C1)CC(C3)C2	KNM	ada-(ahx)3-(leu)3-vinyl sulfone
+Cc1ccccc1CN	KNN	1-(2-methylphenyl)methanamine
+c1cc(c(c(c1)F)OCC(=O)O)F	KNP	(2,6-difluorophenoxy)acetic acid
+CCO[C@@H]1C[C@@H](N(C1)C)CCc2cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C	KNS	6-[2-(5-{2-[(2s,4r)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine
+c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3OC(=CC4=O)c5[nH]nnn5	KNT	pranlukast
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C	KNV	6-[2-(2,3-difluoro-5-{2-[(2s)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+c1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3)OCCCCc4cc(ccc4Cl)F	KNW	(2~{s})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid
+c1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3F)OCCCCOc4cccc(c4F)F	KNZ	(2~{s})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
+C([C@H]([C@@H]1[C@@H]([C@@H]([C@@H]([C@@](O1)(C(=O)O)O)O)O)O)O)O	KO1	d-glycero-alpha-d-talo-oct-2-ulopyranosonic acid
+C=CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)O)C(=O)O	KO2	prop-2-en-1-yl d-glycero-alpha-d-talo-oct-2-ulopyranosidonic acid
+[OH2][K]([OH2])([OH2])[OH2]	KO4	potassium ion, 4 waters coordinated
+Cc1ccc(cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3O[C@@H](CN4CCCC(=O)O)C(=O)O)F	KO5	(2~{s})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid
+c1cc(ccc1NC(=S)NNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])F	KOB	2-(2,4-dinitrophenyl)-n-(4-fluorophenyl)hydrazinecarbothioamide
+c1cc(cc(c1)Br)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	KOE	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+c1cc(c(cc1c2[nH]ccn2)Cl)OCCC(=O)O	KOH	3-[2-chloranyl-4-(1~{h}-imidazol-2-yl)phenoxy]propanoic acid
+C1=C(OC=C(C1=O)O)CO	KOJ	5-hydroxy-2-(hydroxymethyl)-4h-pyran-4-one
+c1ccc2c(c1)CCN2C(=O)n3ccnn3	KOK	(2,3-dihydro-1h-indol-1-yl)(1h-1,2,3-triazol-1-yl)methanone
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O	KOL	(4r,5s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid
+c1ccc(cc1)C2=CC(=O)Oc3c2ccc(c3O)O	KOM	7,8-dihydroxy-4-phenyl-2h-chromen-2-one
+c1cc(cc(c1)I)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	KON	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+COP(=O)(O)O	KOP	methyl dihydrogen phosphate
+c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O)F	KOQ	(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
+C(CSN[S@](=O)C[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	KOR	l-homocysteine-s-n-s-l-cysteine
+C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)\C)OC)OC(=O)N)/C)C)O)OC	KOS	17-desmethoxy-17-n,n-dimethylaminoethylamino-geldanamycin
+c1ccc(cc1)c2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KOT	1-beta-d-glucopyranosyl-4-phenyl-1h-1,2,3-triazole
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)C(=O)O)O	KOU	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-serine
+CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O	KOV	(6r,7r)-3-[(carbamoyloxy)methyl]-7-{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O	KOW	(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
+c1ccc(c(c1)C(=O)CCc2cccc(c2)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)O	KOY	5'-o-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine
+c1cc(cc(c1)Cl)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	KOZ	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CC(C)(CC(C)(C)O)O	KP1	2,4-dimethylpentane-2,4-diol
+c1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N	KP2	5-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+Cc1c2c(c(c(c1OC)C/C=C(\C)/Cn3cc(nn3)COC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)C(=O)OC2	KP3	5'-o-({1-[(2e)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1h-1,2,3-triazol-4-yl}methyl)adenosine
+c1ccc(c(c1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O)F	KP5	(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
+Cc1c(c(n(n1)C)C)CCO	KP6	2-(1,3,5-trimethyl-1h-pyrazol-4-yl)ethanol
+c1ccc(cc1)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	KP8	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+C(CC(=O)C(=O)O)CP(=O)(O)O	KPA	2-oxo-5-phosphonopentanoic acid
+c1cc(cc(c1)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)F	KPB	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CC(=O)CSCCS(=O)(=O)O	KPC	(2-[2-ketopropylthio]ethanesulfonate
+C(CC/N=C(\CF)/C(=O)O)C[C@@H](C(=O)O)N	KPF	n-(1-carboxy-2-fluoro-ethenyl) lysine
+C(C(=O)[C@H]([C@@H]([C@@H](C(O)O)O)O)O)OP(=O)(O)O	KPG	[(3s,4r,5s)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate
+C(CCN)C[C@H](N)P(=O)(O)O	KPH	[(1r)-1,5-diaminopentyl]phosphonic acid
+C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	KPI	(2s)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCCN3C	KPJ	6-[2-(2,3-difluoro-5-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+Cc1cccc2c1c(cs2)Cn3c4ccccc4nc3SCCCC(=O)O	KPK	4-({1-[(4-methyl-1-benzothiophen-3-yl)methyl]-1h-benzimidazol-2-yl}sulfanyl)butanoic acid
+CC(C)(CO)C(=O)C(=O)O	KPL	ketopantoate
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@H]3[C@H](O2)CO[C@](O3)(C)C(=O)O)O)NC(=O)C)O	KPM	2-(acetylamino)-4-o-{2-(acetylamino)-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl}-2-deoxy-beta-d-glucopyranose
+c1ccnc(c1)c2ccc(cn2)CC(=O)N(CCN)CC(=O)O	KPN	n-(2-aminoethyl)-n-(2,2'-bipyridin-5-ylacetyl)glycine
+C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F	KPQ	1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide
+C[C@@H](C(=O)/C=C/OP(=O)(O)O)N	KPR	[(~{e},4~{s})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate
+C1=C(C(=O)NC(=O)N1)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	KPS	pseudouridine 5'-phosphate, linear
+c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2	KPT	6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium
+c1ccc(cc1)CCCC(=O)C(=O)O	KPV	5-phenyl-2-keto-valeric acid
+Cc1cccc(n1)c2c(c3n(n2)CC(C3)(C)C)c4ccnc(c4)Nc5ccc(cc5)S(=O)(=O)N	KPW	4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide
+C/C(=N\CCSC[C@@H](C(=O)O)N)/C(=O)O	KPY	(2r)-2-azanyl-3-[2-[(e)-(1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]ethylsulfanyl]propanoic acid
+Cc1ccc(cc1NC(=O)c2ccc(nc2)NCC[C@@H]3CCC[N@]3C)NC(=O)c4ccnc(c4)N5CCOCC5	KQ7	n-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide
+C[C@@H]1[C@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	KQ8	(2~{r},3~{r})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{s},5~{s})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{h}-pyrrole-5-carboxylic acid
+[O][Mg](F)(F)F	KQB	trifluoromagnesate monohydrate
+c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)[C@@H]3CN(C[C@H]3C(=O)N[C@H]4C[C@@H]4c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7C[C@H]([C@@H](C7)C(=O)N[C@H]8C[C@@H]8c9ccccc9)C(=O)N[C@H]1C[C@@H]1c1ccccc1	KQD	(3s,4s,3's,4's)-1,1'-(1,4-phenylenedicarbonyl)bis{n~3~,n~4~-bis[(1s,2r)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de}
+c1cc(cc(c1)OC(F)(F)F)c2cnc3n2nc(cc3)c4ccncc4	KQE	6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine
+CN(C)c1nccc(n1)c2cnn3c2cccn3	KQK	~{n},~{n}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+[H]/N=C(/C1(CCC1)c2cc(cc(c2)Cl)c3ccc(cc3)C(C)(C)O)\N	KQP	1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide
+CC1(CCN(c2c1cc(c(c2)Nc3nc4c(cc[nH]4)c(n3)Nc5ccsc5C(=O)N)OC)C(=O)CN(C)C)C	KQQ	3-[(2-{[1-(n,n-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide
+C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F	KQS	(3s)-3-(2-fluorophenyl)-n-((2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)methyl)butanamide)
+COc1ccc2c(c1OC)c[n+]3c(c2CCCc4ccncc4)-c5cc6c(cc5CC3)OCO6	KQT	berberine
+CC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(c5ccccc5)c6ccccc6	KQV	[(2-{[(5s,8s,10ar)-3-acetyl-8-({(2s)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1h-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
+CN(c1nccc(n1)c2cnn3c2cccn3)C4CC4	KQW	~{n}-cyclopropyl-~{n}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+C(CCC(=O)N)CCN	KQY	6-aminohexanamide
+CN(C)c1nccc(n1)c2c[nH]c3c2cccn3	KQZ	~{n},~{n}-dimethyl-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
+[Kr]	KR	krypton
+CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC	KR0	3-decanoyloxypropyl decanoate
+Cc1cc(cc(c1)C(=O)C2=C(C(=O)NC(=O)N2Cc3cc(nc(c3)F)N)C(C)C)C#N	KR1	3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile
+c1ccc(cc1)C(=O)N2CCCCCN2C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N	KR2	(2r)-4-(2-benzoyl-1,2-diazepan-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine
+CCc1nc(nc(n1)Nc2ccc(cc2)CCO)c3cccc(c3)Cl	KR4	2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
+Cc1cc(n(n1)C(=O)CCNc2ccc(cc2)S(=O)(=O)N)C	KR5	4-{[3-(3,5-dimethyl-1h-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide
+c1cc(cc(c1)Cl)c2cc(cc(n2)C(F)(F)F)Cc3ccc(cc3)CC(=O)O	KR7	(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid
+CN(c1ccccc1)c2nccc(n2)c3cnn4c3cccn4	KR8	~{n}-methyl-~{n}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+c1ccc(cc1)CC(=O)C(=O)Cc2ccc(cc2)O	KRA	kurasoin a
+c1ccc(cc1)CC(=O)C(=O)Cc2c[nH]c3c2cccc3	KRB	kurasoin b
+CCc1ccc2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC	KRC	(9as)-8-acetyl-n-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
+CCc1nc(nc(n1)Nc2ccc(cc2)CC(=O)N)c3cccc(c3)Cl	KRD	2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide
+COc1cc(cc(c1)NS(=O)(=O)C)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4	KRE	~{n}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide
+CCOc1cc(cc(c1)C(=O)O)c2c(noc2C)C	KRG	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid
+CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5cncn5C)C(=O)N(C1=O)C	KRH	5-methyl-3-(1-methyl-1h-imidazol-5-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-2h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
+C(CSC[C@H]([C@H](C(=O)CO)O)O)[C@@H](C(=O)O)N	KRI	(s)-2-amino-4-[(2s,3r)-2,3,5-trihydroxy-4-oxo-pentyl]mercapto-butyric acid
+c1cc(c(cc1C2CCNCC2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	KRJ	4-cyano-n-(2-cyclohex-1-en-1-yl-4-piperidin-4-ylphenyl)-1h-imidazole-2-carboxamide
+c1cc2c(cnn2nc1)c3ccnc(n3)N4CC[C@@H](C4)F	KRK	3-[2-[(3~{s})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
+CN1CCN(CC1)c2ccc(c(c2)N3CCCCC3)NC(=O)c4ccc(o4)C#N	KRL	5-cyano-n-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
+c1ccc(cc1)Oc2ccc(cc2)c3cc(n[nH]3)N4CCOCC4	KRM	4-[5-(4-phenoxyphenyl)-1h-pyrazol-3-yl]morpholine
+Cc1cc(ccc1F)CCC2=C(NC(=O)NC2=O)C(=O)O	KRO	5-[2-(4-fluoro-3-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C	KRP	3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile
+CNc1nccc(n1)c2cnn3c2cccn3	KRQ	~{n}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+C[C@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	KRS	cladosporin
+B(c1cccc(c1)/C=C/C(=O)O)(O)O	KRT	(~{e})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid
+CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C	KRV	3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
+c1cc2cc(ccc2nc1)Cn3c4c(ncc(n4)c5cnn(c5)CCO)nn3	KRW	2-{4-[1-(quinolin-6-ylmethyl)-1h-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]-1h-pyrazol-1-yl}ethanol
+COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F	KRX	6-(3-methoxyphenyl)-n-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
+c1cc(ccc1N2C=CN(C2=O)c3ccc(cc3F)F)S(=O)(=O)N	KRY	4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]benzene-1-sulfonamide
+c1cc(ccc1C(=O)NCCC(=O)N[C@@H](CCNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)I	KRZ	(2~{s})-2-[[(3~{s})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid
+c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N	KS1	1-cyclopentyl-3-(1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KS2	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
+c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	KS3	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{h}-1,2,4-triazol-5-yl)oxane-3,4,5-triol
+COc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC4)N	KS4	1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N	KS5	1-(1-methylethyl)-3-quinolin-6-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1cc(ccn1)N2CCC3(CC2)CN(CCN3C)c4nc(no4)c5cc(cc(c5)OC)OC	KS7	4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane
+c1ccc(cc1)CCCCP(=O)(CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3)O	KS8	fosinoprilat
+C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O	KSA	k-252a
+c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N	KSB	lambda-[ru(tap2-dppz-cn]2+
+Cc1cc(n2c(n1)c(c(n2)Nc3ccc(cc3)OC)C(=O)N)NCC4CC4	KSC	7-[(cyclopropylmethyl)amino]-2-[(4-methoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CN[C@H](C)C(=O)O)OC	KSD	n-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-d-alanine
+Cc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)NCC(C)(C)N	KSE	7-[(2-amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(cc1)c2cnc(c3n2cnc3)Nc4ccccc4Cl	KSF	n-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
+[H]/N=C(/C(=O)O)\N[C@H]1C[C@@H]([C@H](O[C@@H]1C)OC2[C@H]([C@H](C([C@@H]([C@H]2O)O)O)O)O)N	KSG	(1s,2r,3s,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-{[carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-d-arabino-hexopyranoside
+CCc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)N4CCC[C@@H]4CO	KSH	2-[(3,5-dimethoxyphenyl)amino]-5-ethyl-7-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(c(c1)C(=O)[C@@H]2CCC[C@H]2CC(=O)O)O	KSJ	[(1s,2r)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid
+CC(C)(CNc1cc(nc2n1nc(c2C(=O)N)Nc3cc(cc(c3)OC)OC)C4CC4)N	KSK	7-[(2-amino-2-methylpropyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1cccc(c1Nc2c3cncn3c(cn2)c4ccccc4)C	KSL	n-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
+Cc1cccc(c1Nc2c3cncn3c4cc(ccc4n2)N5CCN[C@H](C5)C)Cl	KSM	n-(2-chloro-6-methylphenyl)-8-[(3s)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine
+C(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C(=O)O)N	KSN	(2~{s})-2-[[(4~{s})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
+c1ccc(c(c1)C(=O)[C@H]2CCC[C@@H]2CC(=O)O)O	KSP	[(1r,2s)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid
+Cn1cc(c2c1ccc(c2)OC)c3cc4c([nH]3)nccn4	KSR	6-(5-methoxy-1-methyl-1h-indol-3-yl)-5h-pyrrolo[2,3-b]pyrazine
+CCSc1nc(cc2n1ccn2)c3ccc(c(c3)OC)OC	KSS	7-(3,4-dimethoxyphenyl)-5-(ethylsulfanyl)imidazo[1,2-c]pyrimidine
+c1c(csc1C(=O)O)NCCCC[C@@H](C(=O)O)N	KST	n~6~-(5-carboxy-3-thienyl)-l-lysine
+CCOP(=O)(O)OC[C@@H](CO)O	KSV	(2r)-2,3-dihydroxypropyl ethyl hydrogen (s)-phosphate
+CC1=CC=CC1=O	KSW	2-methylcyclopenta-2,4-dien-1-one
+c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O	KSY	4-{[3-(3-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)NCCCNC(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC	KSZ	~{tert}-butyl ~{n}-[3-[2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate
+COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O	KT1	4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O	KT2	2-azanyl-9-[(1~{r},6~{r},8~{r},9~{r},10~{s},15~{r},17~{r},18~{r})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{h}-purin-6-one
+c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	KT3	n-{4-4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)-but-2-yl-benzoyl}-gamma-glutamyl-gamma-glutamyl-glutamic acid
+c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O	KT4	4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	KT5	n-{4-4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)-but-2-yl-benzoyl}-gamma-glutamyl-gamma-glutamyl-gamma-glutamyl-gamma-glutamyl-glutamic acid
+c1cc2c(cc1O)C(=O)NC2=O	KT7	5-hydroxy-1h-isoindole-1,3(2h)-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)F)N	KT8	2'3'-cyclic-gmp-2'f-2'damp
+C1C[C@@H](CC(=O)C1)CC(=O)O	KTA	(s)-cyclohexanone-2-acetate
+C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O	KTB	neugc gm3
+CCCCCCCCC(=O)CCCCCCCCC(=O)O	KTC	10-oxooctadecanoic acid
+c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3	KTD	1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@H]([C@H](CO)O)O)O)O)O	KTE	(2~{s},3~{r})-4-[(2~{r},3~{s},4~{s},5~{r})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol
+c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O	KTG	4-{[3-(4-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+c1csc(n1)C=O	KTH	2-ketothiazole
+c1cc(ccc1c2c[nH]nc2N)O	KTJ	4-(3-amino-1h-pyrazol-4-yl)phenol
+c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3O)O)O	KTK	4-[3-amino-4-(4-hydroxyphenyl)-1h-pyrazol-5-yl]benzene-1,3-diol
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O	KTL	(1s,2r,3r,4s)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
+c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O	KTM	4-{[(2-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione
+CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl	KTN	cis-1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine
+c1ccc2c(c1)[C@]([C@H](N2)O)(C[C@@H](C=O)N)ON3[C@@H]4CCC[C@H]3CC(=O)C4	KTO	(2~{s})-2-azanyl-3-[(2~{r},3~{s})-2-oxidanyl-3-[[(1~{s},5~{r})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanal
+c1ccc2cc(ccc2c1)C(=O)[C@@H](c3cccc4c3cccc4)P(=O)(O)O	KTP	(2-naphthalen-2-yl-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid
+COc1ccc(cc1)CCNc2c(nc3n2cccc3)c4ccc(cc4)[N+](=O)[O-]	KTQ	~{n}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
+c1ccc(cc1)C(=O)c2ccc3n2CC[C@H]3C(=O)O	KTR	(1r)-5-benzoyl-2,3-dihydro-1h-pyrrolizine-1-carboxylic acid
+C=CCO[C@@]1(C[C@H](C=C(O1)[C@@H](CO)O)O)C(=O)O	KTU	prop-2-en-1-yl 3,5-dideoxy-alpha-d-threo-oct-5-en-2-ulopyranosidonic acid
+c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O	KTV	4-{[(3-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione
+[H]/N=C(\c1cc2c(s1)cccc2Cl)/N	KTW	4-chloranyl-1-benzothiophene-2-carboximidamide
+CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4	KTZ	n4,n4-dimethyl-5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cncc4Cl)Cl)O	KU0	2-[(2s)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide
+c1ccc2c(c1)C(=O)C(=NN2)C(=O)NCC(=O)O	KU1	n-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine
+c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O	KU2	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide
+CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F	KU3	(5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone
+c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CCc4ccccc4Cl)O	KU4	2-{(2s)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O	KU5	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4F)O	KU7	2-{(2s)-1-[(2-fluorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide
+c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCCNCC4)F	KU8	4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2h)-one
+c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O	KU9	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-(2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide
+c1ccc2c(c1)nc(o2)c3ccc(cc3)C(=O)N4CCN(CC4)C(=O)C5(CC5)O	KUA	{4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone
+C[C@@H](c1cc(ccc1F)F)Nc2cc(c(cc2Cl)S(=O)(=O)Nc3cscn3)F	KUB	4-[[(1~{s})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{n}-(1,3-thiazol-4-yl)benzenesulfonamide
+c1ccc(cc1)C(=O)[C@@H]2CCC[C@H]2CC(=O)O	KUD	[(1s,2r)-2-(benzenecarbonyl)cyclopentyl]acetic acid
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCCC4	KUE	~{n}-[5-(azocan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+Cc1ccc2c(c1)C(=O)NC=C2	KUF	7-methyl-2h-isoquinolin-1-one
+c1ccc(cc1)C(=O)[C@H]2CCC[C@@H]2CC(=O)O	KUG	[(1r,2s)-2-(benzenecarbonyl)cyclopentyl]acetic acid
+CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)OC	KUH	~{n}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+C[C@@H]1CCC[C@H]2[C@H]1[C@@H](/C(=C\3/C(=O)COC3=O)/O[C@@H]2/C(=C/[C@H](C)CC[C@@H](/C=C/[C@H](C)[C@H]4[C@H](C[C@@H](O4)[C@H](C)OC)C)O)/CO)C	KUJ	(3e)-3-{(1s,4s,4as,5r,8as)-1-[(2e,4r,7s,8e,10s)-1,7-dihydroxy-10-{(2r,3s,5r)-5-[(1s)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3h-2-benzopyran-3-ylidene}oxolane-2,4-dione
+c1cc(ncc1NC(=O)NC2C(=NC(=NC2=O)N)N)C(=O)N[C@@H](CCc3[nH]nnn3)C(=O)O	KUK	(2~{s})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{h}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{h}-1,2,3,4-tetrazol-5-yl)butanoic acid
+COc1cc(cc(c1OC)OC)C(=O)c2cnc([nH]2)c3c[nH]c4c3cccc4	KUM	[2-(1h-indol-3-yl)-1h-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
+c1c(cnc(c1F)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O)NC(=O)CC2C(=NC(=NC2=O)N)N	KUN	(~{e},4~{s})-4-[[5-[2-[2,4-bis(azanyl)-6-oxidanylidene-5~{h}-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]car bonylamino]pent-2-enedioic acid
+COc1ccc(cc1OC)Cc2cnc(nc2N)N	KUP	5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
+c1ccc(cc1)c2[nH]cc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KUQ	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-phenyl-1~{h}-imidazol-4-yl)oxane-3,4,5-triol
+C(CCCCCCCCC(=O)O)CCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(=O)O	KUT	kut [2-(2-[2-(2-[2-(octadecandioyl-gamma-glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]
+Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CC[C@H]([C@@H](CC4)F)N	KUV	5-amino-n-{5-[(4r,5r)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1h-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(cc(cn4)CC(=O)O)Cl	KUW	2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid
+Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CCC[C@@H](CC4)N	KUY	5-amino-n-{5-[(4s)-4-aminoazepan-1-yl]-1-methyl-1h-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
+CCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC	KV1	n-((3r,5s)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1h-pyrazole-5-carboxamide
+c1cc(ccc1CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)c5ccc(cc5)Cl	KV4	5'-s-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine
+c1ccc2cc(ccc2c1)c3[nH]cc(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	KV5	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{h}-imidazol-4-yl)oxane-3,4,5-triol
+c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCOCC6	KV9	7-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]-n-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
+c1ccc(cc1)Cc2cnc3c(c2c4cccc(c4)OCc5ccc(cc5)CC(=O)O)cccc3C(F)(F)F	KVB	2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(n4cc(ccc4n3)C#N)-c5cnc(c(n5)O1)N)C)F	KVC	(5r)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile
+c1ccc(cc1)C#Cc2cc(cnc2)C(=O)O	KVD	5-(phenylethynyl)pyridine-3-carboxylic acid
+c1ccc2cc(ccc2c1)c3csc(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	KVE	(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol
+c1ccc2cc(ccc2c1)c3nc(cs3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	KVH	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol
+[H]/N=C(/N)\NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC(=O)[C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C	KVI	(2s)-2-{[(2r,5s)-5-{[(2s,3s)-2-{[(2s,3r)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-n~1~-[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide
+CC(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCCc3cccc(n3)S(=O)(=O)N)O	KVK	6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{h}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide
+C1[C@@H](C(=O)N(C1=O)O)P(=O)(O)O	KVM	[(3s)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid
+c1ccc(cc1)c2nnn(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KVN	(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol
+C[N+](C)(C)C[C@H](O)P(=O)(O)O	KVP	(2r)-2-hydroxy-n,n,n-trimethyl-2-phosphonoethan-1-aminium
+c1ccc(cc1)c2nc(cs2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KVQ	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC([C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C)(O)O	KVS	n~2~-[(2r,5s)-5-({(2s,3s)-2-[(n-acetyl-l-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-l-glutaminyl-l-argininamide
+Cc1ccc(cc1S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C	KVT	~{n}-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
+C[N+](C)(C)CCP(=O)(O)O	KVV	n,n,n-trimethyl-2-phosphonoethan-1-aminium
+c1ccc(cc1)c2csc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KVW	(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol
+CNC(=O)CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)N	KVY	4-amino-1-methyl-n-{1-methyl-5-[(1-methyl-5-{[3-(methylamino)-3-oxopropyl]carbamoyl}-1h-pyrrol-3-yl)carbamoyl]-1h-pyrrol-3-yl}-1h-pyrrole-2-carboxamide
+CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CN2C(=O)[C@]3(CCCc4c3cccc4)NC2=O	KVZ	2-[(4~{r})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{h}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{n}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide
+Cc1c(c(no1)NC(=O)CSCC(=O)O)Br	KW1	({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid
+C[C@H]1CCCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)CNC3=O	KW5	2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{n}-[4-bromanyl-3-[(3~{s})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide
+COC(=O)c1c(c(c[nH]1)c2ccccc2F)N	KW7	methyl 3-amino-4-(2-fluorophenyl)-1h-pyrrole-2-carboxylate
+CC[C@H]1c2c(c3ccccc3[nH]2)CCN1	KW8	(1~{s})-1-ethyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+CNCc1ccc(o1)c2cc(cc(c2)Cl)Cl	KWA	1-[5-(3,5-dichlorophenyl)furan-2-yl]-n-methylmethanamine
+c1cc(c(cc1C2CCCCC2)C(=O)[O-])O	KWB	5-cyclohexyl-2-hydroxybenzoate
+c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl	KWD	2-cyano-~{n}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide
+c1ccc(cc1)CCCCNC2=C(C(=O)N(C2=O)Cc3ccccc3)Cc4ccccc4	KWE	3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione
+c1ccc(cc1)C#Cc2cccc(c2n3cccc3)C(=O)O	KWG	3-(phenylethynyl)-2-(1h-pyrrol-1-yl)benzoic acid
+CCC[C@H]1c2c(c3ccccc3[nH]2)CCN1	KWH	(1~{s})-1-propyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3ccc4c(c3)NNC4=O)CC#C	KWJ	(7r)-7-methyl-2-[(3-oxo-2,3-dihydro-1h-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+CC(C)CCNCCc1c[nH]c2c1cccc2	KWK	~{n}-[2-(1~{h}-indol-3-yl)ethyl]-3-methyl-butan-1-amine
+Cc1cc2c(cc1C)N(CNC(=O)NC(=O)C[C@H](C[C@H](N2)O)c3ccccc3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	KWM	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[(9~{s},11~{r})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+C[C@@H]1CC[C@@H]([C@@H]([C@H]1C(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cc4F)F)F)C	KWN	(1~{s},2~{s},3~{s},6~{r})-2-[[2-[5,7-bis(fluoranyl)-1~{h}-indol-3-yl]-5-fluoranyl-pyrimidin-4-yl]amino]-3,6-dimethyl-cyclohexane-1-carboxylic acid
+c1cc(c(cc1N2C[C@@H](C(=N2)NC(=O)c3ccncc3)CCO)Cl)Cl	KWP	~{n}-[(4~{s})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
+CC(C)C[C@H]1c2c(c3ccccc3[nH]2)CCN1	KWQ	(1~{s})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+C[C@H]([C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N)O	KWS	{2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@@]4(c5c(coc5C3=O)C(=O)O[C@@H]4COC)C)C	KWT	(1s,6br,9as,11r,11br)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo[4, 3,2-de]indeno[4,5-h][2]benzopyran-11-yl acetate
+CC(=O)NC1=NN(CC1)c2ccc(c(c2)Cl)Cl	KWV	~{n}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide
+c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCN	KWW	1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{n}-(phenylmethyl)pyrazole-4-carboxamide
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4	KWY	4-tert-butyl-n-(1,3-diphenyl-1h-pyrazol-5-yl)benzamide
+c1cc(cc(c1)C(F)(F)F)c2cc(nc(n2)C#N)CCCN3CCCCC3	KWZ	4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
+c1c(nc(nc1C2CCCCCC2)C#N)CCCN3CCCCC3	KX1	4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile
+C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN3CCCC3)/C)OC)OC(=O)N)\C)C)O)OC	KX2	(4e,6z,8s,9s,10e,12s,13r,14s,16r)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-{[2-(pyrrolidin-1-yl)ethyl]amino}-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
+c1ccc(cc1)CCNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O	KX5	3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid
+c1ccc(c(c1)N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-])O	KX7	icilin
+c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCCC(=O)O	KX8	4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid
+Cc1c(c(c2c(n1)C(=O)N(C2)c3ccccc3OC)c4ccc(cc4Cl)Cl)CN	KXA	3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7h-pyrrolo[3,4-b]pyridin-7-one
+Cc1c(c(c2c(n1)C(=O)N(C2)CCOC)c3ccc(cc3Cl)Cl)CN	KXB	3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7h-pyrrolo[3,4-b]pyridin-7-one
+c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O	KXE	3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OCC4[C@H]([C@H]([C@H](O4)S)O)O)O)O)N	KXG	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate
+CCOC(=O)c1cn(nc1c2ccc(c(c2)Cl)Cl)CCCCN	KXH	ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate
+CCCCCCCCCCCCCC(=S)NCCCC[C@@H](C(=O)Nc1ccccc1)NC(=O)CCOCCO	KXJ	n~2~-[3-(2-hydroxyethoxy)propanoyl]-n-phenyl-n~6~-tetradecanethioyl-l-lysinamide
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCCC4)CCCCC2=O	KXK	~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3N2CCc4ccccc4)C[C@H]([C@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O	KXM	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3r,4r)-5-[(4ar)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
+c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O	KXN	(2r,3s)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol
+c1cc(cc(c1)F)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F	KXO	6-(3-fluorophenyl)-n-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC	KXP	(2s)-1-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate
+c1cc2cc[nH]c2c(c1)C(=O)O	KXQ	1~{h}-indole-7-carboxylic acid
+C[C@@H]1CC[C@H]([C@@H](C1)C(=O)Nc2ccc(cc2)OC)C(C)C	KXS	(1r,2s,5r)-n-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide
+c1ccc(cc1)c2ccc3nc(cn3c2)c4ccccc4	KXT	2,6-diphenylimidazo[1,2-a]pyridine
+Cc1cc(nc(n1)SCc2cc(no2)C(=O)NCc3ccnc(c3)C)C	KXU	5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-n-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide
+COc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O	KXV	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}ac etic acid
+c1ccnc(c1)NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	KXW	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid
+c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)O	KXZ	3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid
+c1ccc(c(c1)C(=O)CCC(=O)O)N	KY1	4-(2-aminophenyl)-4-oxobutanoic acid
+[H]/N=C(\N)/NCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KY2	1-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine
+CO[C@H]1C[C@@H]([C@H](C[C@H]1c2cccs2)C(=O)O)OC	KY3	(1s,2s,4s,5r)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid
+c1cc(c(c(c1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)F)F)O	KY4	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1ccnc(c1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	KY5	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@@H](CS)N)CC(=O)O)[N+](=O)[O-])O	KY7	{(4z)-2-[(1s)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cnc(nc1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	KY8	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
+c1ccc2c(c1)c(cc(n2)C(=O)O)O	KYA	4-hydroxyquinoline-2-carboxylic acid
+[H]/N=C(/N)\NCCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KYB	1-[5-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine
+Cc1c(c(n[nH]1)C)C(=O)O	KYD	3,5-dimethyl-1h-pyrazole-4-carboxylic acid
+[H]/N=C(/N)\NCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KYE	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid
+C([C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O)O	KYG	(1r,2r,3s,4r,5r,6s)-4-{[(s)-[(2s)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-3,5,6-trihydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)]
+[H]/N=C(\N)/NCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KYH	1-[4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine
+c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3ccc(cc3)/C=C\4/C(=O)c5cccc(c5O4)C(=O)N	KYJ	(2z)-2-[(4-{[2-(1h-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
+c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O	KYK	n6-benzyl-(alpha,beta)-methylene-adp
+c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)C(=O)N4CCn5c(nnc5C6CC6)C4)/C2=O	KYM	(2z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8h)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
+c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N	KYN	(2s)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
+c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(cc3)C(=O)N4CCN(CC4)c5ncccn5)O	KYP	3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide
+C(CC/N=C(\CO)/C(=O)O)C[C@@H](C(=O)O)N	KYQ	(e)-n~6~-(1-carboxy-2-hydroxyethylidene)-l-lysine
+c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)[N@@]4CCN[Ru]456789([CH]1=[CH]5[CH]6=[CH]7[CH]8=[CH]91)Cl	KYS	n-(4-{[(2-aminoethyl)amino]sulfonyl}phenyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide-(1,2,3,4,5,6-eta)-benzene-chloro-ruthenium(iii)
+CC1=[CH]2C=C3([Ru+]24([CH]1=C3)([NH2][C@@H]5CN(C[C@H]5[NH2]4)C(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)Cl)C(C)C	KYT	(3as,4s,6ar)-4-(5-((3r,4r)-3,4-diaminopyrrolidin-1-yl)-5-oxopentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one-p-cymene-chloro-ruthenium(iii)
+c1ccc2c(c1)[nH]c(n2)N3CCN(CC3)C(=O)c4ccc(cc4)Cc5c(c6cccc(c6o5)C(=O)N)O	KYV	2-({4-[4-(1h-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide
+CN(Cc1ccccc1)c2c3c(nc(n2)Cl)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O	KYW	(n6,n6)-methyl,benzyl-c2-chloro-(alpha,beta)-methylene-adp
+c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(c(c3)F)c4[nH]nnn4)O	KYY	2-{[3-fluoro-4-(1h-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide
+CNS(=O)(=O)c1ccc(c(c1)NC(=O)CC2=NNC(=O)c3c2cccc3)OC	KYZ	~{n}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+c1c(c(c(c(c1F)O)F)F)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O	KZ1	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc2ccsc2c(c1)C(=O)O	KZ2	1-benzothiophene-7-carboxylic acid
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)Br)O	KZ4	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CN(C)[C@@H](Cc1c[nH]c(n1)S(=O)(=O)O)C(=O)O	KZ5	(2~{s})-2-(dimethylamino)-3-(2-sulfo-1~{h}-imidazol-4-yl)propanoic acid
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)Cl)O	KZ7	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)Nc4ccccc4	KZ8	~{n}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+c1cc(cc(c1)O)[C@H]2C3=C(CCCC3=O)NC(=S)N2	KZ9	(s)-4-(3-hydroxyphenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6h)-one
+C[C@H]1CC[C@]2([C@@H]([C@@H]3[C@@H](O2)[C@@H]([C@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H]6[C@]5(C[C@@H]([C@H](C6)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O)O)C)C)O)C)OC1	KZB	(2~{s},3~{r},4~{r},5~{s},6~{s})-2-(hydroxymethyl)-6-[(1~{s},2~{r},3~{r},4~{r},5'~{s},6~{s},7~{r},8~{s},9~{r},12~{r},13~{r},15~{s},16~{s},18~{r})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol
+C[C@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CCC=C(C)C)CCOP(=O)(O)O	KZE	[(3~{r},6~{z},10~{z},14~{z},18~{z})-3,7,11,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaenyl] dihydrogen phosphate
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)I)O	KZG	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}aceti c acid
+CCC=CCC(=O)C=CC=CCCCCCCCC(=O)O	KZH	(13-oxo-9(z),11(e),15(z)-octadecatrienoic acid)
+COc1cc(cc(c1)OC)Nc2c(ncc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N	KZI	5-{[(1r,2s)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide
+CNc1cc(nn2c1ncc2C(=O)NC3CC3)NC4=CC=CN(C4=O)c5ccc(cc5)C#N	KZJ	6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-n-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
+COc1ccc(cc1NC(=O)Cc2c[nH]c3c2cccc3)S(=O)(=O)N4CCCCCC4	KZK	~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1~{h}-indol-3-yl)ethanamide
+CC(C)(CN)Nc1nc(c(c2n1cnn2)C(=O)N)Nc3cc(cc(c3)OC)OC	KZL	5-[(2-amino-1,1-dimethylethyl)amino]-7-[(3,5-dimethoxyphenyl)amino][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide
+COc1cc(cc(c1)OC)Nc2c(c3nc(nn3c(n2)N[C@@H]4CCCC[C@@H]4N)c5cccc(c5)O)C(=O)N	KZM	5-{[(1r,2s)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5C4	KZN	~{n}-[5-(3,4-dihydro-1~{h}-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+CCn1c2c(c(n1)C#Cc3c(ccc4c3ccnc4Nc5ccc(cc5)Cl)C)c(ncn2)N	KZP	5-[(4-amino-1-ethyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-n-(4-chlorophenyl)-6-methylisoquinolin-1-amine
+CC1=C([C@@H](NC(=O)N1)c2ccc(cc2)F)C(=O)Nc3ccc4c(c3)c[nH]n4	KZQ	(4s)-4-(4-fluorophenyl)-n-(2h-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
+CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)COCC	KZS	n~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1h-pyrazol-4-yl}methyl)-n~1~,n~2~-dimethylethane-1,2-diamine
+COc1ccc(cc1NC(=O)Cc2ccnc3c2cccc3)S(=O)(=O)N4CCCCCC4	KZT	~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinolin-4-yl-ethanamide
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)F)O	KZV	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}ace tic acid
+Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O	KZY	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCN)C(=O)NCc5cccc6c5cccc6)C3	KZZ	1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide
+C[C@H]1C[C@@H]1CN(CCOC)c2cc(c(c(n2)[N@](C)S(=O)(=O)C)Cl)c3nnc(o3)[C@@](C)(Cc4ccccc4)N	L00	(2r)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1s,2s)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine
+CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNCc3cccc(c3)OC)O	L01	3-[({(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}amino)(hydroxy)methyl]-n,n-dipropylbenzamide
+c1cc(ccc1c2cc([nH]n2)C3CCNCC3)Cl	L02	4-[3-(4-chlorophenyl)-1h-pyrazol-5-yl]piperidine
+CSc1[nH]c(nn1)c2ccc(cc2)Cl	L03	3-(4-chlorophenyl)-5-(methylthio)-4h-1,2,4-triazole
+CC(C)C[C@@H](C(=O)Nc1ccccc1)NC(=O)[C@H](CCc2ccc(cc2)c3ccc(cc3)F)C[C@H](CCCCN4Cc5ccccc5C4=O)C(=O)O	L04	6-(4'-fluoro-biphenyl-4-yl)-4-(3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-2-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-butyl]-hexanoic acid
+COc1ccc(cc1)NC2=C(C(=O)N(C2=O)Cc3ccccc3)c4ccccc4	L05	1-benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
+C(C[C@@H](CS)C(=O)O)CNC(=N)N	L06	5-{[amino(imino)methyl]amino}-2-(sulfanylmethyl)pentanoic acid
+CCCc1nc2c(s1)c3ccccc3nc2N	L07	2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine
+CCOc1ccccc1Sc2ccc(cc2[N+](=O)[O-])c3ccnc(c3)N4CCN(CC4)C(=O)C	L08	1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine
+CC(C)(C)c1cc([nH]n1)NC(=O)Nc2ccc(c(c2)COc3cccnc3)Cl	L09	n-(3-tert-butyl-1h-pyrazol-5-yl)-n'-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea
+C[C@@H]1CC[C@]2([C@@H]([C@@H]3[C@H](O2)[C@H]([C@H]4[C@]3(CC[C@H]5[C@@H]4CC[C@H]6[C@@]5(C[C@@H]([C@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@@H](O8)CO)O)O[C@H]9[C@@H]([C@@H]([C@@H](CO9)O)O)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O[C@H]2[C@H]([C@@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1	L0A	digitonin
+CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O	L0B	alpha-lobeline
+c1cc(ccc1C(=O)Nc2c[nH]nc2c3[nH]c4cc(ccc4n3)C[NH]5CCOCC5)F	L0C	4-{[2-(4-{[(4-fluorophenyl)carbonyl]amino}-1h-pyrazol-3-yl)-1h-benzimidazol-6-yl]methyl}morpholin-4-ium
+c1ccc2c(c1)[nH]c(n2)c3cc[nH]n3	L0D	2-(1h-pyrazol-3-yl)-1h-benzimidazole
+c1ccc(cc1)NC(=O)Nc2c[nH]nc2c3[nH]c4ccc(cc4n3)C[NH]5CCOCC5	L0E	4-[(2-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-3-yl}-1h-benzimidazol-5-yl)methyl]morpholin-4-ium
+c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3	L0F	n-[3-(1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]benzamide
+c1cc2c(cc1C[NH+]3CCOCC3)[nH]c([nH+]2)c4c(c[nH]n4)NC(=O)NC5CC5	L0G	2-{4-[(cyclopropylcarbamoyl)amino]-1h-pyrazol-3-yl}-6-(morpholin-4-ium-4-ylmethyl)-1h-3,1-benzimidazol-3-ium
+c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3	L0H	n-[3-(1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]benzamide
+c1cc2c(cc1C[NH+]3CCOCC3)[nH]c(n2)c4c(c[nH]n4)NC(=O)NC5CC5	L0I	4-[(2-{4-[(cyclopropylcarbamoyl)amino]-1h-pyrazol-3-yl}-1h-benzimidazol-6-yl)methyl]morpholin-4-ium
+c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CCN)C3CC3	L0J	n-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5CC4	L0K	~{n}-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+Cc1c2nc(c(n2ccn1)NC(=O)CN3c4ccccc4Oc5c3cccc5)c6ccccc6	L0M	n-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10h-phenoxazin-10-yl)acetamide
+CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OCC(C)C	L0N	~{n}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
+Cc1cccn2c1nc(c2NC(=O)CN3c4ccccc4SCC3=O)c5ccccc5	L0P	n-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4h-1,4-benzothiazin-4-yl)acetamide
+CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OC(C)C	L0Q	~{n}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
+c1ccc(cc1)OCC(=O)N2CCCC[C@@H]2C(=O)N3CCc4ccccc4C3	L0R	1-[(2r)-2-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone
+CCN(CC)/C(=N/[P@@](=O)(C)OC)/C	L0S	methyl (r)-n-[(1e)-1-(diethylamino)ethylidene]-p-methylphosphonamidate
+CC(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc3cccc4c3nc(cc4S(=O)(=O)[O-])C(=O)Nc5cccc6c5nc(cc6S(=O)(=O)[O-])C(=O)Nc7cccc8c7nc(cc8S(=O)(=O)[O-])C(=O)Nc9cccc1c9nc(cc1S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)O	L0T	8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate
+CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)COC)OC[C@H](CO)O[C@@H]([C@@H](COC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC	L0W	lipopolysaccharide fragment
+CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCCO4	L0Y	6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3c4cc([nH]c4ncn3)c5ccc(cc5)C(=O)N6CCN(CC6)C	L0Z	4-~{tert}-butyl-~{n}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide
+CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc2)Cl)N(N1)c3ccccc3	L10	n-[(3z)-5-tert-butyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-ylidene]-n'-(4-chlorophenyl)urea
+c1cc(cnc1)OCc2cc(ccc2Cl)NC(=O)C3=CC(CC(C3)N4CCOCC4)F	L11	n-[4-chloro-3-(pyridin-3-yloxymethyl)-phenyl]-3-fluoro-
+c1ccc2c(c1)c(c[nH]2)CCc3ccncc3	L12	3-(2-pyridin-4-ylethyl)-1h-indole
+Cc1ccccc1C2=NNC(=S)N2N	L13	4-amino-5-(2-methylphenyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione
+C1CC(CCC1C(=O)O)C(=O)O	L14	trans-cyclohexane-1,4-dicarboxylic acid
+Cc1c(c[nH]n1)c2ccc(cc2)CCN	L15	2-[4-(3-methyl-1h-pyrazol-4-yl)phenyl]ethanamine
+C[C@H](c1cccc(c1)Cl)NC(=O)Cc2c(ccc([n+]2[O-])NCC(c3cccc[n+]3[O-])(F)F)Cl	L17	l17
+C[C@H](C[C@@H]1CCCC[N@]1C)C[C@@H](C)c2ccccc2	L18	(2s)-1-methyl-2-[(2s,4r)-2-methyl-4-phenylpentyl]piperidine
+COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5	L19	3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1h-indol-1-yl]propanoic acid
+CC(C)C[C@@H]([C@@H]([C@@H](C[C@@H]1CCC=CC1)NC(=O)[C@H](Cc2csc(n2)N)NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)N4CCOCC4)O)O	L1A	n-(morpholin-4-ylsulfonyl)-l-phenylalanyl-3-(2-amino-1,3-thiazol-4-yl)-n-{(1r,2r,3s)-1-[(1r)-cyclohex-3-en-1-ylmethyl]-2,3-dihydroxy-5-methylhexyl}-l-alaninamide
+CCc1c(c(nc(n1)N)N)c2ccc3ccc[n+](c3c2)CCCOC	L1B	7-(2,4-diamino-6-ethylpyrimidin-5-yl)-1-(3-methoxypropyl)quinolinium
+c1cc(ccc1NC(=O)N2C[C@](C[C@@H]2C(=O)Nc3ccc(cn3)N4C=CC=CC4=O)(c5ccc(cc5F)F)O)Cl	L1C	(2r,4s)-n^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-n^2^-(2-oxo-2h-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide
+c1ccc(cc1)[C@]2(C[C@@H](N(C2)C(=O)Nc3ccc(cc3)Cl)C(=O)Nc4ccc(cc4F)N5C=CC=CC5=O)O	L1D	(2r,4s)-n^1^-(4-chlorophenyl)-n^2^-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide
+Cc1ccc2c(c1Nc3c(cccn3)c4c5c(nc[nH]5)ncn4)ccnc2Nc6ccc(cc6)Cl	L1E	n~1~-(4-chlorophenyl)-6-methyl-n~5~-[3-(7h-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine
+Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N	L1G	n-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide
+CC(C)(Cn1c2ccccc2nc1NC(=O)c3cc(cc(c3)F)c4cccnc4)O	L1H	3-fluoranyl-~{n}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide
+CC(C)(Cn1c2ccccc2nc1NC(=O)c3ccnc(c3)c4ccccc4)O	L1K	~{n}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O	L1L	2-amino-2-deoxy-1-o-phosphono-alpha-d-glucopyranose
+CCN(CC)/C(=N/[P@H](=O)OCC)/C	L1M	ethyl (r)-n-[(1e)-1-(diethylamino)ethylidene]phosphonamidate
+c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O	L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid
+CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	L1P	3-phosphoryl-[1,2-di-phytanyl]glycerol
+CCCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	L1Q	2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide
+CC(C)Oc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OCCN)Cl	L1R	4-(2-aminoethoxy)-3,5-dichloro-n-[3-(1-methylethoxy)phenyl]benzamide
+COC(=O)c1cnc(nc1)N2CCN(CC2)C(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N	L1S	methyl 2-{4-[4-(7-carbamoyl-1h-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate
+[H]/N=C(\c1cc(c(s1)c2ccccc2)C)/N	L1T	4-methyl-5-phenyl-thiophene-2-carboximidamide
+c1cc(ccc1C(=O)[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O	L1V	4-[(1r,2s)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(cc6)O)c7ccccc7	L1W	~{n}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{h}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide
+CC1=CC=C(C(=O)N1c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4cc5cnn(c5cc4c6c[nH]nc6)C	L1X	n-(3-fluoro-4-{[1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
+c1cc(ccc1C(=O)[C@H]2CCC[C@@H]2CC(=O)O)C(=O)O	L1Y	4-[(1s,2r)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)C5=C(N=C(C(=O)N5)C)c6ccccc6	L1Z	~{n}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{h}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide
+Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4c[nH]c5c4cccc5)N	L20	(2s)-1-(1h-indol-3-yl)-3-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine
+CC(=CCn1cnc(c-2ncnc12)N)C	L21	3-(3-methylbut-2-en-1-yl)-3h-purin-6-amine
+c1cnc(nc1c2csc(n2)N)N	L22	4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine
+Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3ccnc(n3)N	L23	4-[1-(2,6-dichlorobenzyl)-2-methyl-1h-imidazol-4-yl]pyrimidin-2-amine
+c1cc(ccc1CC[C@H]2Cc3c(nc(nc3O)N)NC2)C(=O)N[C@@H](CCC(=O)O)C(=O)O	L24	[[[2-amino-5,6,7,8-tetrahydro-4-hydroxy-pyrido[2,3-d]pyrimidin-6-yl]-ethyl]-phenyl]-carbonyl-glutamic acid
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCOCC4)CCCCC2=O	L25	~{n}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C)C(=O)C	L26	4-acetyl-n-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@@H]3CNC(=O)c4c3cccc4)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6	L27	{1-benzyl-3-[2-benzyl-3-oxo-4-(1-oxo-1,2,3,4-tetrahydro- isoquinolin-4-yl)-2,3-dihydro-1h-pyrrol-2-yl]-2- hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester
+CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)N	L28	n~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1h-pyrrole-2,4-dicarboxamide
+CC(C)[C@H](C(=O)NO)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5	L29	n,n'-bis(2-{(biphenyl-4-ylsulfonyl)[(2r)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name)
+CC(C)C[C@H]1C(=O)N[C@](CCC\C=C\CCC[C@](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(=O)O)(C)N)(C)C(=O)O	L2A	(2s,5s,8s,11s,15e,20s)-20-amino-2-(carboxymethyl)-11,20-dimethyl-5,8-bis(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-11-carboxylic acid
+C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)COP(=O)(O)O	L2B	3'-deoxyuridine-5'-monophosphate
+CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC	L2C	(2s)-3-hydroxy-2-(nonanoyloxy)propyl laurate
+C1CC[C@@H]2[C@@H](C1)[N]34CC5=[N]([Fe]367([N]2(CC8=CC=CC=[N]68)CC(=O)O7)OC(=O)C4)C=CC=C5	L2D	{2,2'-[(1r,2r)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappan)methyl]imino-kappan}]diacetato-kappao(2-)}iron
+CC(=CCC/C(=C/Cc1c(cc2c(c1O)C(=O)C[C@H](O2)c3ccc(c(c3)O)O)O)/C)C	L2E	(2s)-2-(3,4-dihydroxyphenyl)-6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4h-chromen-4-one
+CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N	L2G	n-(4-{1-[4-(4-acetylpiperazin-1-yl)-trans-cyclohexyl]-4-amino-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide
+Cc1c-2nc(o1)-c3c(oc(n3)[C@@H](NC(=O)c4coc(n4)-c5coc(n5)-c6coc(n6)[C@@H](NC(=O)c7coc2n7)CCCCN)CCCCN)C	L2H	(12s,27s)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2. 1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode caene-10,25-dione
+c1ccc2c(c1)N(c3ccccc3O2)[C@H]4CCC[C@H]([C@@H]4O)NS(=O)(=O)c5ccc(cc5)OC(F)(F)F	L2J	n-[(1r,2r,3s)-2-hydroxy-3-(10h-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide
+c1cc(c(cc1C2=NNC3=NCCN3C2)F)F	L2K	3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine
+C[N@]12CC3=CC=CC=[N]3[Fe+2]145[N]6=CC=CC=C6C[N@@]4(CC(=O)O5)[C@@H]7[C@@H]2CCCC7	L2M	{(r)-n-[(1s,2s)-2-{methyl[(pyridin-2-yl-kappan)methyl]amino-kappan}cyclohexyl]-n-[(pyridin-2-yl-kappan)methyl]glycinato-kappa~2~n,o}iron(2+)
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCN(CC4)C)CCCCC2=O	L2N	~{n}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CC(C)C[C@H]([C@@H](C(=O)O)O)N	L2O	(2s,3r)-3-amino-2-hydroxy-5-methylhexanoic acid
+CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	L2P	2,3-di-phytanyl-glycerol
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCC(=O)[C@H]6[C@H]5CCCC6	L2Q	[(1~{r})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{s})-1-[[(1~{r},4~{a}~{r},8~{a}~{r})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{h}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate
+Cc1ccc(cc1)SCC(=O)N2CCCCC2	L2S	1-{[(4-methylphenyl)sulfanyl]acetyl}piperidine
+Cc1ccccc1CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc4ccccc4	L2T	4-(benzyloxy)-n-[(1s,2r)-2-hydroxy-1-({(1s)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCC4)CCCCC2=O	L2W	~{n}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CCN(CC)/C(=N/[P@](=O)(C)F)/C	L2Y	(s)-n-[(1e)-1-(diethylamino)ethylidene]-p-methylphosphonamidic fluoride
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CC5(C4)COC5)CCCCC2=O	L2Z	~{n}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+c1ccc2c(c1)cccc2NC(=O)c3cccnc3	L30	n-(naphthalen-1-yl)pyridine-3-carboxamide
+Cc1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)C(=O)C)c4cccc(c4)O	L31	3-[(1r)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1h-beta-carbolin-1-yl]phenol
+c1cc-2c(cc1Br)C(=NOCC(=O)O)c3c2ccc(c3)Br	L32	{[(2,7-dibromo-9h-fluoren-9-ylidene)amino]oxy}acetic acid
+CCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N(CC)CC)C)C(=O)C	L33	4-acetyl-n-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNc4c(c(nc(n4)N)O)N3C2=O	L34	4-(7-amino-9-hydroxy-1-oxo-3,3a,4,5-tetrahydro-2,5,6,8,9b-pentaaza-cyclopenta[a]naphthalen-2-yl)-phenylcarbonyl-glutami c acid
+CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl	L35	2-[4-({[(3,5-dichlorophenyl)amino]carbonyl}amino)phenoxy]-2-methylpropanoic acid
+CCCN(Cc1ccc(cc1)N)C(=O)NCC(=O)OCC	L36	ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2c(c(nc(n2)N)O)N	L37	[[n'-(2,5-diamino-6-hydroxy-pyrimidin-4-yl)-ureayl]-phen-4-yl]-carbonyl-glutamic acid
+C[C@H](CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CI	L39	(3beta,9beta,25r)-3-hydroxy-26-iodocholest-5-ene-16,22-dione
+C[C@@H](CP(=O)([C@H](CC(C)C)N)O)C(=O)O	L3A	(2r)-3-[(r)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+Cc1ccccc1C2=NC(=S)N=N2	L3B	5-(2-methylphenyl)-3h-1,2,4-triazole-3-thione
+Cc1c(c(c2ccccc2n1)c3ccc4c5c3nccc5CCO4)[C@@H](C(=O)O)OC(C)(C)C	L3D	(2s)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid
+c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)/C=N/c4ccc(cc4)C(=O)O)C(F)(F)F	L3E	4-[(~{e})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid
+Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCN(CC6)C7CCOCC7)N	L3G	n-(4-{4-amino-1-[1-(tetrahydro-2h-pyran-4-yl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide
+c1ccc(cc1)NC(=O)O[C@H]2CCC[NH+](C2)C3Cc4ccccc4C3	L3H	[(3~{s})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-1-ium-3-yl] ~{n}-phenylcarbamate
+CCCN(c1cc2cc(c1)C(=O)N[C@@H](Cc3cccc(c3)CCCC2)CN[C@H]([C@H](C)O)C(=O)/N=C/C(C)C)S(=O)(=O)C	L3J	(e)-n-(2-methylpropylidene)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-d-threoninamide
+c1cc2c(c(c1)C(=O)N)C(=O)N(C2)C3CCNCC3	L3L	3-oxo-2-piperidin-4-yl-2,3-dihydro-1h-isoindole-4-carboxamide
+CCC[C@@H]([C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1)O	L3M	(3s)-3-hydroxy-n-(2-methylpropyl)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-l-norleucinamide
+CC(C)C[C@@H]([C@@H](C(=O)O)O)N	L3O	(2s,3s)-3-amino-2-hydroxy-5-methylhexanoic acid
+CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	L3P	2,3-di-o-phytanly-3-sn-glycero-1-phosphoryl-3'-sn-glycerol-1'-phosphate
+C1CN2[C@@H](CN1)COC2=O	L3Q	(8~{a}~{s})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
+Cc1ccc(c(c1)O)[N+](=O)[O-]	L3S	5-methyl-2-nitrophenol
+Cc1ccccc1CNC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)C(=O)c3c[nH]c4c3cccc4	L3T	n-(2,2-dimethylpropyl)-n~2~-[1h-indol-3-yl(oxo)acetyl]-l-asparaginyl-n-(2-methylbenzyl)-3-pyridin-4-yl-l-alaninamide
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)N(C2=O)C)O)O)N	L3U	[(2~{r},3~{s},4~{r},5~{r})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC(=O)Nc1ccc(cc1)CO	L3V	n-[4-(hydroxymethyl)phenyl]acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N(/C=C/C=C(/C(=O)N)\O)C=O)O)O)O)O)N	L3W	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-[[(1~{e},3~{z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CS(=O)(=O)c1ccc(cc1)C=O	L3Y	4-(methylsulfonyl)benzaldehyde
+c1ccc2c(c1)-c3cc(ccn3)C(=O)Nc4nc5ccccc5n4CCCCCO2	L3Z	8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
+CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O)NC)C)C(=O)C	L40	4-acetyl-3-ethyl-5-methyl-n-[2-methyl-5-(methylsulfamoyl)phenyl]-1h-pyrrole-2-carboxamide
+CCCc1c(ccc(c1O)C(=O)C)OCCCOc2ccc(cc2)OCC(=O)O	L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)c3[nH]nnn3	L43	3-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid
+CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC	L44	(2s)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate
+CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)O	L45	~{n}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CCc1c(c([nH]c1C(=O)NC)C)C(=O)C	L46	4-acetyl-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide
+CC(=O)N1[C@@H](CC(=N1)c2ccccc2Cl)c3cccc(c3)O	L47	3-[(5s)-1-acetyl-3-(2-chlorophenyl)-4,5-dihydro-1h-pyrazol-5-yl]phenol
+C(CO)c1c(nc(o1)CCO)C(=O)O	L4A	2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid
+C[C@@]12CC[C@H]3[C@@]4(CCCC([C@H]4CC[C@@]3([C@H]1Cc5c2c(cc(c5O)O)C(=O)O)C)(C)C)C	L4B	(4~{a}~{r},4~{b}~{s},6~{a}~{r},11~{a}~{r},11~{b}~{s},13~{a}~{r})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)- 3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{h}-indeno[2,1-a]phenanthrene-7-carboxylic acid
+CC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O	L4C	(2e)-2-{[(2s)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid
+C[N]12CC[N]34[Fe+2]1([N]5=C(C2)C=CC=C5)([N]6=CC=CC=C6C3)OC(=O)C4	L4D	{(s)-n-(2-{methyl[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-n-[(pyridin-2-yl-kappan)methyl]glycinato-kappa~2~n,o}iron(2+)
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)/C)C	L4E	geranylgeranyl dihydroxybenzoate
+CS(=O)(=O)c1ccc(cc1)c2ccc3cc(ccc3c2Oc4ccc(cc4)OCCN5CCCCC5)O	L4G	6-(4-methylsulfonyl-phenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
+CC(=CCC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)C	L4H	farnesyl dihydroxybenzoate
+CCCC[C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1	L4J	n-(2-methylpropyl)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-l-norleucinamide
+CCCCCc1ccc(cc1)S(=O)(=O)N	L4K	4-pentylbenzenesulfonamide
+c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O	L4M	4-{[(1s,2s)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid
+CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	L4P	3-[glycerolylphosphonyl]-[1,2-di-phytanyl]glycerol
+CCCCCCc1ccc(cc1)S(=O)(=O)N	L4Q	4-hexylbenzenesulfonamide
+c1ccc(c(c1)C(=O)[C@@H]2CCC[C@H]2CC(=O)Nc3cn(nn3)C[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)N)O)O	L4S	2',5'-dideoxy-5'-[4-({[(1s,2r)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1h-1,2,3-triazol-1-yl]cytidine
+CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O	L4T	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-l-prolinamide
+CN1CCC/C=C\CCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O	L4V	13-chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8h,12h)-dione
+CCCCCOc1ccc(cc1)S(=O)(=O)N	L4W	4-pentoxybenzenesulfonamide
+C[C@@H]1CCc2c(c([nH]n2)C(=O)N[C@H]3COc4ccccc4N(C3=O)C)C1	L4Y	(5r)-5-methyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide
+Cc1cc(n(n1)C)CNC(=O)O	L4Z	(2,5-dimethylpyrazol-3-yl)methylcarbamic acid
+Cc1ccc(cc1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O	L50	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methylphenyl)pentyl]phosphonic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)N	L51	1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+c1ccc(cc1)C#CC#Cc2ccc(cc2)C(=O)N[C@@H](CN)C(=O)NO	L52	n-[(2s)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide
+C[C@@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O	L53	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3s)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide
+CN(C(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)CP(=O)(O)O)O	L54	{(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-[4-(trifluoromethyl)phenyl]pentyl}phosphonic acid
+Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3cccc(c3)NC(=O)c4cnn(c4)C)C	L55	n-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide
+Cc1cccc(c1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O	L56	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]phosphonic acid
+c1ccc(cc1)/C(=N/OCC(=O)O)/c2ccc(c(c2)Cl)Cl	L57	({(z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccc(cc2)Br)O	L58	4'-bromo-n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccccc2)O	L59	n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide
+c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)CC(=O)O	L5A	(4-{[(1s,2s)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid
+c1cc(ccc1C2=C(CCCc3c2ccc(c3)C(=O)O)c4ccc(cc4Cl)Cl)O[C@H]5CCN(C5)CCCF	L5B	6-(2,4-dichlorophenyl)-5-[4-[(3~{s})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{h}-benzo[7]annulene-2-carboxylic acid
+Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccc(cc3)NC(=O)c4cnn(c4)C)C	L5C	n-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide
+Cc1cccc(c1)c2cccc(c2)C(=O)O	L5D	3-(3-methylphenyl)benzoic acid
+c1cc(c2c(c1Br)CC[C@@H](C(C2)(O)O)[NH3+])Br	L5E	[(7~{s})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
+COc1ccc2c(ccnc2c1)OCc3nnc4n3nc(cc4)c5ccccc5	L5G	7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
+c1ccc(cc1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)n4ccnc4	L5H	~{n}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{h}-quinoxalin-1-yl]benzamide
+c1cc(ccc1C[C@H]2CCC[C@@H]2CC(=O)O)CC(=O)O	L5J	(4-{[(1r,2r)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid
+c1cc(cc(c1)NS(=O)(=O)c2ccc3c(c2)c4ccc(cc4o3)[N+](=O)[O-])NC(=O)C5(CC5)O	L5K	~{n}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide
+c1cc2c(c(c1)NC(=O)c3ccc(s3)Cl)C(=O)N(C2=O)Cc4ccc(cc4)C(=O)O	L5N	4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid
+C(CCNCC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C[C@@H](C(=O)O)N	L5P	(2s)-2-azanyl-6-[[(3r,4r)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid
+Cc1cc(no1)C(=O)NCC(F)(F)F	L5Q	5-methyl-~{n}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide
+Cc1nnc2n1-c3c(ccs3)C(=NC2)c4ccccc4	L5S	13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene
+CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O	L5T	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-prolinamide
+c1c(nc(cn1)Cl)c2nc[nH]n2	L5V	2-chloranyl-6-(1h-1,2,4-triazol-3-yl)pyrazine
+C1CC2(CCC1C2)C(=O)NO	L5W	~{n}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide
+c1cncc2c1c(n[nH]2)c3cc(cc(n3)C(F)(F)F)NCCO	L5Y	2-{[2-(1h-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol
+c1cc(cc(c1)F)C[C@@H]2C[C@H]2NCCc3ccnc(n3)n4ccnc4	L5Z	(1r,2r)-2-(3-fluorobenzyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine
+C1CNC(=O)NC1	L60	1,3-diazinan-2-one
+CC(C)COC(=O)N[C@H](CC=O)c1ccccc1	L61	2-methylpropyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate
+c1ccc(cc1)[C@@H](CC=O)NC(=O)OC2CCCC2	L62	cyclopentyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccccc2)O	L63	n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide
+c1cc(cnc1)C(=O)N2CCC(CC2)n3c4c(cn3)c(nc(n4)c5ccc(cc5)NC(=O)Nc6ccncc6)N7CCOCC7	L64	1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea
+Cc1ccc(cc1c2cn3c4c(nc3n2c5ccccc5OC)N(C(=O)NC4=O)C)O	L66	7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione
+c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)O	L67	{(1s,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid
+Cn1cc(cn1)c2ccc(c(c2)C=CC(=O)c3c(cc(cc3F)c4c[nH]nc4)F)C(=O)O	L68	2-[3-[2,6-bis(fluoranyl)-4-(1~{h}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid
+CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O	L69	[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid
+COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O	L6B	methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-3-enoate
+c1ccc(cc1)[C@@H](CC=O)NC(=O)Oc2ccccc2	L6C	phenyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate
+CNC(=O)COC(=O)/C=C/CNC(=O)C1=CC2=C(CCCC2)NC1=O	L6E	[2-(methylamino)-2-oxidanylidene-ethyl] (~{e})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-2-enoate
+CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2nc(cs2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS	L6G	(5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione
+C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NC/C=C/C(=O)OCC(=O)NCCCNC(=O)OC3CCCC=CCC3	L6H	[2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{e})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-2-enoate
+Cc1ccc(cc1CN2C[C@H](Oc3ccccc3S2(=O)=O)C)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C	L6I	(3s)-3-(7-methoxy-1-methyl-1h-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((r)-4-methyl-1,1-dioxido-3,4-dihydro-2h-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid
+COc1ccccc1C(=O)C2CCCC2C(C(=O)O)C(=O)O	L6J	[(1r,2r)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid
+CN[C@@H](Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O	L6K	(2~{s})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid
+c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)N[C@@H](CCC(=O)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)O)C(=O)O	L6M	5'-{[n-({(1s,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-l-gamma-glutamyl]amino}-2',5'-dideoxycytidine
+c1cc(c(cc1CC(=O)NC2(CCCCC2)C(=O)O)C3CC3)C#N	L6P	1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid
+C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)O	L6S	6-o-sulfo-alpha-l-galactopyranose
+CCCCCCCCCCCCOC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	L6T	alpha-d-glucopyranosyl 6-o-dodecyl-alpha-d-glucopyranoside
+c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccsc3)C#N	L6V	n-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide
+c1ccc(cc1)C(=O)c2ccc3c4c2cccc4C(=O)N(C3=O)O	L6Y	2-oxidanyl-6-(phenylcarbonyl)benzo[de]isoquinoline-1,3-dione
+CCN1C(=O)C[C@H](C1=O)c2cccc(c2)CN	L71	(3s)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione
+c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl	L74	3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1h-pyrrolo[2,3-b]pyridine
+CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cc6ccccc6o5	L75	n-[2(r)-hydroxy-1(s)-indanyl]-2(r)-phenylmethyl-4(s)-hydroxy-5-[4-[2-benzofuranylmethyl]-2(s)-[tert-butylaminocarbonyl]-piperazinyl]-pentaneamide
+C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3c([nH]nn3)CN(C)C)c4ccc(cc4)F	L76	1-(4-{[(2r,3s)-2-{(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1h-1,2,3-triazol-5-yl)-n,n-dimethylmethanamine
+c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)NC(=O)c4c(cccc4Cl)F)C(F)(F)F	L77	2-chloro-6-fluoro-n-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1h-indol-6-yl)benzamide
+CC1(CCC(c2c1ccc(c2)C3=CC=CC4C3CC(O4)\C=C\C(=O)O)(C)C)C	L79	(s)-(2e)-3[4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)tetrahydro-1-benzofuran-2-yl]-2-propenoic acid
+c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3	L7A	n-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide
+c1cc(ccc1C2(CCCC2)S(=O)(=O)c3ccc(cc3)F)C(C(F)(F)F)(C(F)(F)F)O	L7D	1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol
+CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cc(ccn2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS	L7G	(5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)O[C@H]4CCOC4)OC	L7H	~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{s})-oxolan-3-yl]oxy-quinazolin-4-amine
+c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)OCc4c(cncc4Cl)Cl)C(F)(F)F	L7J	6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1h-indole
+c1ccc(cc1)CCn2c(nnn2)[C@@H](C3CCCCC3)NN	L7K	[(~{r})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNS(=O)(=O)c4cccc5c4cccc5N(C)C	L7M	2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C@@H]2CONC2=O)O	L7N	(~{e})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{r})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium
+CNc1nccc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCCCC4	L7O	n-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide
+c1cc(ccc1CN2CCN(CC2)Cc3ccncc3)c4ccc(cc4F)C(C(F)(F)F)(C(F)(F)F)O	L7P	1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol
+CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(=O)N	L7S	3-[(3r)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
+c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)F	L7T	2,3,4,5,6-pentafluorobenzenesulfonamide
+c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl)C(=O)N4CCOCC4	L7Y	5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1h)-one
+c1c2cnc(nc2cc(c1Cl)[C@@H]3CCN(C[C@H]3F)[C@@H]4COC[C@@H]4O)Nc5cnn(c5Cl)[C@@H]6CC6(F)F	L80	(3r,4r)-4-{(3s,4s)-4-[6-chloro-2-({5-chloro-1-[(1r)-2,2-difluorocyclopropyl]-1h-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol
+CC1(CNc2c1cc(c(c2)O)C(=O)N3Cc4ccccc4C3)C	L81	1,3-dihydroisoindol-2-yl-(6-hydroxy-3,3-dimethyl-1,2-dihydroindol-5-yl)methanone
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O)O	L84	(1s,2r,4s,5s,6s)-5,6-bis(4-hydroxyphenyl)-n-{4-[3-(piperidin-1-yl)propoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
+c1cc(ccc1/N=N/c2ccc(cc2)S(=O)(=O)O)O	L85	4-[(e)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid
+c1ccc(cc1)C[C@H]2CNCCCNCCc3ccccc3CNC(=O)CN4C(=CN=C(C4=O)N2)Cl	L86	(11s)-11-benzyl-6-chloro-1,2,10,11,12,13,14,15,16,17,18,19-dodecahydro-5,9-methano-2,5,8,10,13,17-benzohexaazacycloheni cosine-3,24-dione
+CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4ccccc4C	L87	8-butyl-1-methyl-7-(2-methylphenyl)-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@H](CCC(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](CCC(=O)O)NC(=O)CCc4ccc(cc4)c5cc(cs5)c6ccccc6	L88	(4r,22r)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid
+c1cncc(c1N)N	L89	pyridine-3,4-diamine
+CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)F	L8A	1-(4-{(3r)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4cnco4)O	L8B	(4r)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-n-[4-(1,3-oxazol-5-yl)benzyl]-l-prolinamide
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO	L8C	n-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+CN1c2cnc(cc2CC[C@@H](C1=O)NC(=O)c3nc4n(n3)[C@@H](CC4)c5ccccc5)OC	L8D	(5s)-n-[(3s)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1h-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5h-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
+CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cccc(n2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS	L8G	(5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione
+COc1cc(cc2c1cccc2)N	L8H	4-methoxynaphthalen-2-amine
+CN1CC2(C1)CNC(=O)c3c2[nH]c-4c3CCc5c4cc(nc5)c6ccccc6F	L8I	2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'h)-one
+c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br	L8J	[(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
+C[C@@H]1CNCCN1c2nc3c(cccc3F)c(n2)Nc4cc([nH]n4)C(C)(C)C	L8M	n-(5-tert-butyl-1h-pyrazol-3-yl)-8-fluoro-2-[(2r)-2-methylpiperazin-1-yl]quinazolin-4-amine
+c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N	L8N	phenyl-(4-sulfamoylphenoxy)phosphinic acid
+C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O	L8P	({[(2s)-1-(4-amino-2-oxopyrimidin-1(2h)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
+COc1ccc(cc1O)[N+](=O)[O-]	L8Q	2-methoxy-5-nitro-phenol
+c1nc2c(n1[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)NC(=O)NC2=O	L8S	9-{5-o-[(s)-hydroxy{[(r)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-l-arabinofuranosyl}-3,9-dihydro-1h-purine-2,6-dione
+c1cc(c(nc1)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)C(=O)Nc4ccc(cc4F)F	L8V	2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-n-(2,4-difluorophenyl)pyridine-3-carboxamide
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NC45C6=C7[Fe]6489123(C7=C85)C4=C9[C]1C2=C34)c1ccc(cc1)Cl)C	L8W	 (+)-jd1
+CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F	L8Y	4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-n-methylpyridine-3-carboxamide
+CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4c(ccc5c4cn[nH]5)C	L90	8-butyl-1-methyl-7-(5-methyl-1h-indazol-4-yl)-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione
+CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F	L91	6-[(5-fluoropyridin-2-yl)amino]-n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
+Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4cccc4	L92	(2s)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(1h-pyrrol-1-yl)propanoic acid
+C[NH+](C)CCC[NH+]=C(c1ccc(cc1)/C(=[NH+]/CCC[NH+](C)C)/N)N	L94	n'-{(z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-n,n-dimethylpropane-1,3-diaminium
+CC/C=C\[C@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C/C(=C\[C@H](C)[C@H]([C@@H](C)/C=C\[C@H](C[C@H]1[C@@H](CCC(=O)O1)C)O)O)/C)O)OC(=O)N	L95	[(3~{z},5~{s},6~{s},7~{s},8~{r},9~{s},11~{z},13~{s},14~{s},15~{s},16~{z},18~{s})-5,7,9,11,13,15-hexamethyl-19-[(2~{s},3~{r})-3-methyl-6-oxidanylidene-oxan-2-yl]-8,14,18-tris(oxidanyl)nonadeca-3,11,16-trien-6-yl] carbamate
+Cc1c(c(n[nH]1)C)c2c3cc(ccc3n(c2c4cccc(c4)OC(C)C)CCC(=O)O)C5CC5	L96	3-{5-cyclopropyl-3-(3,5-dimethyl-1h-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1h-indol-1-yl}propanoic acid
+c1cc(c(nc1)Cl)N	L97	2-chloranylpyridin-3-amine
+c1cc(cc(c1)NC(=N)N)[C@@H](CS)C(=O)O	L98	(2r)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-sulfanylpropanoic acid
+c1cc(c(cc1C(=O)NN)N)N	L99	3,4-bis(azanyl)benzohydrazide
+CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)NC(=O)C3CC3	L9A	6-[(cyclopropanecarbonyl)amino]-n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
+c1cc(ccc1CCCCO)S(=O)(=O)N	L9B	4-(4-oxidanylbutyl)benzenesulfonamide
+[C@H]1([C@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)C(=O)O	L9D	(1s,2r,3s,4s,5s,6r)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid
+Cc1ccc(cc1c2nnc3n2cc(cc3)CCc4ccc(cc4F)F)C(=O)N	L9G	3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide
+CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCCc6c(nc7cc(ccc7n6)OC)O2)C(C)(C)C	L9J	(1ar,5s,8s,9s,10r,22ar)-5-tert-butyl-n-[(1r,2r)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8h-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide
+CS(=O)(=O)c1ccc(cc1)C2=CN/C(=N\Cc3cccc4c3cco4)/n5c2nnc5	L9K	(~{e})-~{n}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{h}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine
+c1cc(ccc1C[C@@H](CNc2ncc(s2)c3ccc4c(c3)CC(=O)N4)N)C(F)(F)F	L9L	5-[2-({(2s)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2h-indol-2-one
+Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)c(n[nH]4)C)N	L9M	(2s)-n~1~-[5-(3-methyl-1h-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine
+Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)cn[nH]4)N	L9N	(2s)-n~1~-[5-(1h-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine
+CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(c6c(nc7cc(ccc7n6)OC)O2)(F)F)C(C)(C)C	L9P	voxilaprevir
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC	L9Q	(1s)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	L9R	(2s)-3-(octadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
+c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5	L9S	n-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-n'-{3-[(2r)-1-(2-hydroxyethyl)-4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea
+Cc1c(sc(n1)NCc2cccc3c2OCO3)c4ccn(n4)C	L9T	n-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
+CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5	L9W	n-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N	L9X	l-gamma-glutamyl-s-[(3r)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-l-cysteinylglycine
+CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3	L9Y	4-{[(2s)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1h-inden-5-yl]oxy}butanoic acid
+C1[C@@H](C[C@@]([C@H]([C@@H]1O)O)(CN)O)C(=O)O	L9Z	(1~{s},3~{s},4~{s},5~{r})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
+[La+3]	LA	lanthanum (iii) ion
+CC(C)C[C@H]1C(=O)N(CCC(=O)N1Cc2cc3ccccc3nc2)[C@@H](Cc4ccc5ccccc5c4)C(=O)NC	LA1	(2r)-2-[3-isobutyl-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-n-methyl-3-(2-naphthyl)propanamide
+C(CCC(=O)NCCCC[C@@H](C(=O)O)N)C[C@H](CCS)S	LA2	n~6~-[(6r)-6,8-disulfanyloctanoyl]-l-lysine
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3ccc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O	LA3	(2r)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-n~4~-hydroxy-n~1~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]butanediamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O	LA4	beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O	LA5	beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose
+CC(=CCC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)C	LA6	(2e)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
+Cc1ccc(c(n1)CO)O	LA7	2-(hydroxymethyl)-6-methylpyridin-3-ol
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N	LA8	l-adenosine-5'-diphosphate
+C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C)P(=O)(C[C@@H](CCc1ccccc1)C(=O)O)O	LA9	(2s)-2-{[(r)-{(1r)-1-[(n-acetyl-l-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
+[C@H]([C@H](C(=O)O)O)(C(=O)N)N	LAA	(3r)-3-hydroxy-l-alpha-asparagine
+C[C@H]\1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)\C=C(/CC\C=C1)\C	LAB	latrunculin b
+C[C@H](C(=O)O)O	LAC	lactic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CCCCN)N)O)O)N	LAD	adenosine-5'-[lysyl-phosphate]
+CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O	LAE	3-oxo-octanoic acid (2-oxo-tetrahydro-furan-3-yl)-amide
+C(CC(=O)O)C(=O)CF	LAF	5-fluorolevulinic acid
+C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	LAG	maltosyl-alpha (1,4)-(z,3s,4s,5r,6r)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one oxime
+CC(C)OP(=O)(O)O[C@@H]1[C@H]([C@H](CO[C@H]1O)O)O	LAH	2-o-[(r)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-l-arabinopyranose
+C([C@@H]([C@@H]([C@H](C=O)O)O)O)O	LAI	l-arabinose
+CNC(=O)c1c(cc(nn1)Nc2ccccn2)Nc3ccccc3S(=O)(=O)C	LAJ	n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O)O	LAK	beta-d-galactopyranosyl-1-6-beta-d-glucopyranose
+C[C@@H](C(=O)O)N(C)C	LAL	n,n-dimethyl-l-alanine
+c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O	LAM	4'-nitrophenyl-s-(beta-d-glucopyranosyl)-(1-3)-(3-thio-beta-d-glucopyranosyl)-(1-3)-beta-d-glucopyranoside
+C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C	LAN	lanosterol
+C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O	LAO	2-o-phosphono-alpha-l-arabinopyranose
+CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O	LAP	[2-((1-oxododecanoxy-(2-hydroxy-3-propanyl))-phosphonate-oxy)-ethyl]-trimethylammonium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@@H]4CCSS4)O)O)N	LAQ	5'-o-[(r)-({5-[(3r)-1,2-dithiolan-3-yl]pentanoyl}oxy)(hydroxy)phosphoryl]adenosine
+C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(\CC/C=C/C=C1)/C	LAR	latrunculin a
+C[C@@H]1[C@@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)SCC(C(=O)O)NC(=O)C)O	LAS	n-acetyl-s-({(2r,3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	LAT	beta-lactose
+CCCCCCCCCCCC(=O)O	LAU	dodecanoic acid
+CC(C)C[C@@H](CN[C@@H](C(C)C)C(=O)O)N	LAV	n-[(2s)-2-amino-4-methylpentyl]-l-valine
+CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O	LAX	eicosa-8,11,14-trienoic acid
+CC(C)C[C@@H](C(=O)O)NC(=O)C	LAY	n-acetyl-l-leucine
+c1cc(ccc1C(=O)NCCO)Cl	LAZ	n-(2-aminoethyl)-p-chlorobenzamide
+CN1CCN(CC1)C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)O3	LB1	(1s,2r,3s,4r)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LB2	3-o-beta-d-glucopyranosyl-beta-d-glucopyranose
+Cc1cc(ncc1F)Nc2cc(c(cn2)C(=O)NC)Nc3cccc(c3OC)C(=O)NCc4ccccn4	LB4	6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-n-methylpyridine-3-carboxamide
+Cc1ccccc1n2cc(cn2)C(=O)NCc3ncc(s3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N	LB5	~{n}-[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide
+c1cc(cc2c1ccn2CC(=O)NCC(=O)O)Br	LB6	n-[(6-bromo-1h-indol-1-yl)acetyl]glycine
+CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncn(n4)C	LB7	6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl]amino}-n-methylpyridazine-3-carboxamide
+Cc1ccc(cc1NC(=O)c2cnn(c2C(F)(F)F)c3ccccc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N	LB8	~{n}-[5-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
+c1cc(ccc1c2[nH]c3ccc(cc3n2)C(=O)O)OC[C@H](COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(=O)O)O	LBA	2-(4-{3-[4-(6-carboxy-1h-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1h-benzimidazole-5-carboxylic acid
+Cc1ccccc1n2cc(cn2)C(=O)Nc3cc(ccc3C)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N	LBB	~{n}-[5-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
+C[C@@H]1CNCCN1c2nc3ccccc3c(n2)Nc4cc(n[nH]4)C(C)(C)C	LBD	n-(3-tert-butyl-1h-pyrazol-5-yl)-2-[(2r)-2-methylpiperazin-1-yl]quinazolin-4-amine
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NCCCC4CCCCC4)N	LBE	5-azanyl-~{n}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C	LBF	leptomycin b
+COC(=O)c1cc(c(c(c1)Cl)O)S(=O)(=O)Nc2cc(c(cc2F)F)c3ccccc3	LBG	methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl)sulfamoyl]-4-hydroxybenzoate
+Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C=C/C(=O)NO	LBH	panobinostat
+C[C@H](c1ccccc1)Nc2c3cc(c(cc3ncn2)OC)OC	LBK	6,7-dimethoxy-~{n}-[(1~{r})-1-phenylethyl]quinazolin-4-amine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O	LBL	(2~{r},3~{r},4~{r},5~{r})-4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5, 6-tetrakis(oxidanyl)hexanal
+CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C	LBM	4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-n-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1h-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	LBN	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
+CCCC[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N	LBP	(2s)-2-amino-4-(s-butyl-n-phosphonosulfonimidoyl)butanoic acid
+c1cc(oc1)CNc2ccc(cc2)S(=O)(=O)N	LBQ	4-(furan-2-ylmethylamino)benzenesulfonamide
+CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCBr	LBR	(2s)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)O)O)O)O)O)O	LBS	6-o-beta-d-fructofuranosyl-beta-d-fructofuranose
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	LBT	alpha-lactose
+COC(=O)[C@@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O	LBU	methyl (2s)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylate
+C/C=C/1\C(C(=O)N\C1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C	LBV	3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(z)-[(3e)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3- yl]propanoic acid
+C/C=C/1\[C@H](C(=O)N\C1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C	LBW	3-[2-[(z)-[5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(z)-[(3e,4r)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N	LBY	n~6~-(tert-butoxycarbonyl)-l-lysine
+c1ccc(cc1)C(=O)NCCCC[C@@H](C(=O)O)N	LBZ	(2~{s})-2-azanyl-6-benzamido-hexanoic acid
+C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O	LC	l-cytidine-5'-monophosphate
+Cn1cc(cn1)c2cnc(c(n2)OCc3cc(c(cn3)OCc4ccc(cc4)OC)OC)N	LC0	3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1h-pyrazol-4-yl)pyrazin-2-amine
+c1cc2c(cc1S(=O)(=O)N)nc([nH]2)c3cscn3	LC1	2-(1,3-thiazol-4-yl)-1h-benzimidazole-5-sulfonamide
+C[C@@H]1[C@H]2C[C@@H](/C=C/C(=C/C[C@@H](/C=C/C(=C/[C@H]([C@@](C1=O)(C(=O)O2)C)NC(=O)C(=O)C)/C)O)/C)O	LC2	n-[(1s,2r,3e,5e,7s,9e,11e,13s,15r,19r)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide
+c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O)c5ccc(cc5)C(=O)O	LC3	7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
+c1cn(cn1)CCCCCCCCCCCC(=O)O	LC4	12-(1h-imidazol-1-yl)dodecanoic acid
+CN(C(=O)C[C@@H](CCCc1cccc2c1cccc2)CP(=O)(O)O)O	LC5	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid
+Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7	LC6	7-(4-{[(4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
+CN(C(=O)C[C@@H](CCCc1cccc(c1)F)CP(=O)(O)O)O	LC7	[(2r)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid
+c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N	LC8	4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N	LCA	[(1r,3r,4r,7s)-7-hydroxy-3-(adenin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CCc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N	LCB	4-[(6-ethyl-7~{h}-purin-2-yl)amino]benzenesulfonamide
+CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O	LCC	[(1r,3r,4r,7s)-7-hydroxy-3-(5-methylcytosin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+COc1ccc(cc1OC)/C=C\2/C(=O)c3ccc(cc3O2)OCC(=O)O	LCD	{[(2z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid
+CO[C@@H]1[C@@H]([C@@H]2[C@H](S1)C(C2=O)(Cl)Cl)C(=O)O	LCE	(1s,3s,4s,5s)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid
+CC1(Cc2c(c(c(n2C1)CC(=O)O)c3ccc(cc3)Cl)c4ccccc4)C	LCF	[6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-yl]acetic acid
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N=C(NC2=O)N	LCG	[(1r,3r,4r,7s)-7-hydroxy-3-(guanin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O	LCH	[(1r,3r,4r,7s)-7-hydroxy-3-(5-methylcytosin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+Cn1c(c(cn1)c2c(cnc(n2)NC3CCC(CC3)[NH3+])F)CC4CC4	LCI	[4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium
+c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO	LCJ	5-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
+C/C(=N/CCCC[C@@H](C(=O)O)N)/CC(=O)O	LCK	(z)-n~6~-(2-carboxy-1-methylethylidene)-l-lysine
+c1cc(ccc1[C@@H]([C@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	LCL	2,2-dichloro-n-[(1s,2s)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
+c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O	LCM	n,n'-butane-1,4-diylbis(2,3-dihydroxybenzamide)
+C1=C([C@H]([C@@H]([C@H](O1)CO)O)O)O	LCN	1,5-anhydro-d-arabino-hex-1-enitol
+[O-]Cl(=O)=O	LCO	chlorate ion
+[O-]Cl(=O)(=O)=O	LCP	perchlorate ion
+c1ccc(cc1)Nc2nc(c3c(n2)[nH]cn3)C#N	LCQ	2-phenylazanyl-9~{h}-purine-6-carbonitrile
+c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O	LCR	(2-{4-[(r)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CONC2=O)O	LCS	[5-hydroxy-6-methyl-4-({[(4e)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate
+CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-]	LCT	n-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
+C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	LCV	(2~{s})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid
+C=Cc1c2c([nH]cn2)nc(n1)Nc3ccc(cc3)CC(=O)N	LCW	2-[4-[(6-ethenyl-9~{h}-purin-2-yl)amino]phenyl]ethanamide
+C(CCNC(=O)O)C[C@@H](CO)N	LCX	carboxylated lysine
+CN1C(=O)CCC1=O	LCY	1-methylpyrrolidine-2,5-dione
+CC(C)C[C@@H](C=O)N	LCZ	(2s)-2-amino-4-methylpentanal
+c1ccc(cc1)[C@H]2C(=Nn3cnnc3S2)c4ccc5c(c4)NC(=O)CO5	LD1	6-[(7s)-7-phenyl-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2h-1,4-benzoxazin-3(4h)-one
+c1ccc(cc1)C/C(=N\n2cnnc2S)/c3ccc4c(c3)NC(=O)CO4	LD2	6-[(1e)-2-phenyl-n-(3-sulfanyl-4h-1,2,4-triazol-4-yl)ethanimidoyl]-2h-1,4-benzoxazin-3(4h)-one
+c1cnc(nc1)NC2CCCCCC2	LD4	n-cycloheptylpyrimidin-2-amine
+C=Cc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N	LD5	4-[(6-ethenyl-7~{h}-purin-2-yl)amino]benzenesulfonamide
+CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)F)N)S(=O)(=O)c3ccccc3	LD6	n-(6-amino-1-(3-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+CCc1nc(on1)C(=O)NCc2ccc(cc2)F	LD7	3-ethyl-n-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
+COc1ccnc(n1)OC	LD8	2,4-dimethoxypyrimidine
+c1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O	LD9	[6-(phenylamino)-1-benzofuran-3-yl]acetic acid
+CCCCCCCCCCCC[N+](C)(C)[O-]	LDA	lauryl dimethylamine-n-oxide
+C1=CNC(=O)NC1=S	LDB	4-thiouracil
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)CO)O	LDC	4-amino-1-(2-deoxy-beta-l-erythro-pentofuranosyl)pyrimidin-2(1h)-one
+COc1ccc(cc1)C(=O)N2CCCCCC2	LDD	(azepan-1-yl)(4-methoxyphenyl)methanone
+CC(C)C[C@H](N)P(=O)(C[C@H](CCC(=O)O)C(=O)O)O	LDE	(2r)-2-{[(s)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid
+COc1cc2c(c(c1CNC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C(=O)N3)OC)C(=O)c6ccccc6C2=O	LDG	2'-deoxy-n-[(1,3-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl]guanosine 5'-(dihydrogen phosphate)
+CCNCCCC[C@@H](C(=O)O)N	LDH	n~6~-ethyl-l-lysine
+CC(C)C(=O)/N=C\1/NN=C(S1)[C@@H]2CCCO2	LDJ	2-methyl-n-{5-[(2s)-oxolan-2-yl]-1,3,4-thiadiazol-2(3h)-ylidene}propanamide
+C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O	LDK	(2~{s})-2-[[(2~{s})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid
+CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]	LDM	3-laurylamido-n,n'-dimethylpropylaminoxyde
+c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	LDN	4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
+C(CCO)C[C@@H](C(=O)O)N	LDO	6-hydroxy-l-norleucine
+c1cc(c(cc1CCN)O)O	LDP	l-dopamine
+C[C@@H]1C[C@@H]2[C@@H]3[C@H]1[C@H](CN2C)C4=CC=CC(=O)N4C3	LDQ	hosieine
+c1ccc2c(c1)-c3ccccc3NC2=O	LDR	phenanthridin-6(5h)-one
+CCOc1ccc(cc1)NC(=O)c2cnccn2	LDS	n-(4-ethoxyphenyl)pyrazine-2-carboxamide
+c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br	LDT	idd594
+C1[C@H]([C@H]([C@H](N1)CO)O)O	LDU	dideoxy-imino-lyxitol
+CC1CCN(CC1)Cc2c[nH]c3c2cccc3	LDV	3-[(4-methylpiperidin-1-yl)methyl]-1h-indole
+c1cc(ccc1Oc2ccc(nc2)N)F	LDW	5-(4-fluoranylphenoxy)pyridin-2-amine
+C1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O	LDY	alpha-d-lyxopyranose
+CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	LDZ	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s)-4-methyl-1-oxopentan-2-yl]-l-leucinamide
+CC(C)([C@@H](C(=O)O)N)S	LE1	3-sulfanyl-l-valine
+c1ccc(cc1)CCNC=S	LE2	n-(2-phenylethyl)thioformamide
+C[S@@](=O)CCCCNC=S	LE3	n-{4-[(r)-methylsulfinyl]butyl}thioformamide
+c1cnc(nc1CO)NC2CCCCCC2	LE4	[2-(cycloheptylamino)pyrimidin-4-yl]methanol
+CCCc1cc([nH]n1)C(=O)NCc2ccc(cc2)F	LE7	n-[(4-fluorophenyl)methyl]-3-propyl-1h-pyrazole-5-carboxamide
+CCCCC(=O)O	LEA	pentanoic acid
+CNCc1ccc2c(c1)c3ccc(cc3n2CC(F)(F)F)Br	LEB	1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{n}-methyl-methanamine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O	LEC	4-nitrophenyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
+C[C@H](C[C@@H](C(=O)O)N)C=O	LED	(4r)-5-oxo-l-leucine
+CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	LEE	l-gamma-glutamyl-s-hexyl-l-cysteinylglycine
+C[C@@H](C[C@@H](C(=O)O)N)CF	LEF	(4s)-5-fluoro-l-leucine
+CCCCCCc1ccc(cc1)C(=O)C=C	LEG	1-(4-hexylphenyl)prop-2-en-1-one
+CC(C)C[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1	LEH	n-[12-(1h-imidazol-1-yl)dodecanoyl]-l-leucine
+CC(C)([C@H](C(=O)O)N)S	LEI	3-sulfanyl-d-valine
+c1cc(ccc1CNC(=O)c2ccn(n2)C(F)F)F	LEJ	1-(difluoromethyl)-n-[(4-fluorophenyl)methyl]-1h-pyrazole-3-carboxamide
+CCn1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC	LEK	1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{n}-methyl-methanamine
+c1cnc(cc1C(=O)O)c2cn[nH]n2	LEL	2-(2h-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid
+CC(C)C[C@@H](C(=O)C)N	LEM	(3s)-3-amino-5-methylhexan-2-one
+CC(C)CCN	LEN	3-methylbutan-1-amine
+CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C	LEO	d-limonene 1,2-epoxide
+CC(C)C[C@@H](C(=O)N)NP(=O)(O)O	LEP	n~2~-phosphono-l-leucinamide
+CN1C=C(C=CC1=O)C(=O)N2CCc3c(ccs3)C2	LEQ	5-(6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one
+C([C@@H](C(=O)CO)O)O	LER	l-erythrulose
+c1cnc(nc1)N[C@H]2CCCCNC2	LES	(3s)-n-(pyrimidin-2-yl)azepan-3-amine
+C(CC/N=C(\CCC(=O)O)/COCC(=O)CCC(=O)O)C[C@@H](C(=O)O)N	LET	(z)-n^6-{3-carboxy-1-[(4-carboxy-2-oxobutoxy)methyl]propylidene}-l-lysine
+CC(C)C[C@@H](C(=O)O)N	LEU	leucine
+CC(C)C[C@@H](C(=O)[O-])[NH-]	LEU_LEO2	l-leucine c-terminal deprotonated fragment
+CC(C)C[C@@H](C(=O)O)[NH-]	LEU_LEO2H	l-leucine c-terminal protonated fragment
+CC(C)C[C@@H](C(=O)O)N	LEU_LFOH	l-leucine free neutral
+CC(C)C[C@@H](C(=O)[O-])[NH3+]	LEU_LFZW	l-leucine free zwitterion
+CC(C)C[C@@H]([C-]=O)[NH-]	LEU_LL	l-leucine - linking embedded fragment
+CC(C)C[C@@H]([C-]=O)[NH3+]	LEU_LSN3	l-leucine n-terminal protonated fragment
+COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4	LEV	4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide
+c1ccc2c(c1)cccc2c3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	LEW	1-beta-d-glucopyranosyl-4-naphthalen-1-yl-1h-1,2,3-triazole
+CC(C)C[C@@H](C(=O)CO)N	LEX	(3s)-3-amino-1-hydroxy-5-methylhexan-2-one
+CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F	LEY	n-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1h-imidazole-5-carboxamide
+c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NCc4cccc(c4)Cl	LEZ	~{n}-[(3-chlorophenyl)methyl]-1-(1~{h}-indol-3-ylmethyl)piperidin-4-amine
+Cc1c(c(c2ccccc2n1)c3ccc4c(c3)CCCO4)[C@@H](C(=O)O)OC(C)(C)C	LF0	(2s)-tert-butoxy[4-(3,4-dihydro-2h-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid
+C[C@@H]1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N(C(=O)N3C)C	LF1	n-[1,3-dimethyl-6-[(2r)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-2-methoxy-benzamide
+Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C	LF2	(2s)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid
+CC(C)c1cc([nH]n1)C(=O)NCc2ccc(cc2)F	LF4	n-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1h-pyrazole-5-carboxamide
+[H]/N=C(/c1cc2c(ccc(c2s1)OC(C)C)Cl)\N	LF5	4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
+CC1=N/C(=N/[C@@H]2CCC[C@H]2CO)/SN1	LF6	{(1r,2r)-2-[(z)-(3-methyl-1,2,4-thiadiazol-5(2h)-ylidene)amino]cyclopentyl}methanol
+[H]/N=C/[C@@H]1CCCN1C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O	LF7	2-{[(1r,3s,5r,7s)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2s)-2-[(e)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne
+Cc1ccc(cc1C)c2c(c(c(c(n2)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)C	LF8	(2s)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid
+Cc1c(c(c(nc1c2[nH]c3ccc(cc3n2)Cl)C)[C@@H](C(=O)O)OC(C)(C)C)c4ccccc4	LF9	(2s)-tert-butoxy[6-(5-chloro-1h-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
+CCCCCCCCCCCCCCCCCCCC	LFA	eicosane
+[H]/N=C(\c1cc2cccc(c2s1)OC)/N	LFB	7-methoxy-1-benzothiophene-2-carboximidamide
+C[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O	LFC	6-deoxy-l-galactonic acid
+c1cc(ccc1NC(=O)O[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)N4CCN(CC4)c5ccc(c(c5)Cl)Cl	LFD	(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate
+Cc1c(sc-2c1[C@@H](N[C@H](c3n2c(nn3)C)CC(=O)N[C@H]4COCCOCCOCC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)NCc6ccc(cc6OCCOCCOC4)c7c(ncs7)C)O)C(C)(C)C)c8ccc(cc8)Cl)C	LFE	~{n}-[(5~{s},7~{r},11~{s},23~{s})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{s},9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O)NC(=O)C	LFF	(2s)-3-[(r)-{(1r)-1-[(n-acetyl-l-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid
+C1CCCC(CC1)Nc2nnc(o2)C3CC3	LFG	n-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine
+C1NC[S]2[Fe]3([S-]1[Fe]2(C3=O)(C#N)(C#[O+])[S])(C#N)C#[O+]	LFH	dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethanethiolatato-1kappas:2kappas)-mu-(oxomethylidene)diiron(2+) sulphide
+CC(=O)N1CCN(CC=C1)C(=O)c2ccc3c(c2)OCO3	LFJ	1-[4-(2h-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1h-1,4-diazepin-1-yl]ethan-1-one
+c1cc(cc(c1)O)C(=O)Oc2cccc(c2)C(=O)O	LFK	3-(3-hydroxyphenyl)carbonyloxybenzoic acid
+c1cc(ccc1CNC(=O)c2cnn3c2OCCC3)F	LFM	n-[(4-fluorophenyl)methyl]-6,7-dihydro-5h-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C	LFN	lumiflavin
+CNC(=O)c1cn(c2c1cccc2)C	LFO	n,1-dimethyl-1h-indole-3-carboxamide
+Cn1c(c(cn1)C(=O)NCc2ccc(cc2)F)Cl	LFP	5-chloro-n-[(4-fluorophenyl)methyl]-1-methyl-1h-pyrazole-4-carboxamide
+[H]/N=C(/c1cc(c(s1)C)c2ccccc2)\N	LFQ	5-methyl-4-phenyl-thiophene-2-carboximidamide
+C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O)O	LFR	beta-l-fructofuranose
+CC(C)c1ccc(cc1)NC(=O)O[C@H](Cn2ccnc2)c3ccc(cc3)F	LFS	(1s)-1-(4-fluorophenyl)-2-(1h-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate
+CC(C)c1ccc(cc1)NC(=O)O[C@H](Cn2ccnc2)c3ccc(cc3)Cl	LFT	(1s)-1-(4-chlorophenyl)-2-(1h-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate
+c1cc(ccc1c2nnc(o2)c3ccc(cc3F)OCC(F)(F)F)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl	LFV	n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide
+Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)I	LFW	(3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate
+C[C@H]1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O	LFX	(3s)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
+CCn1cc(nc1)C(=O)NCc2ccc(cc2)F	LFY	1-ethyl-n-[(4-fluorophenyl)methyl]-1h-imidazole-4-carboxamide
+c1cc(ccc1CC(=O)O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F	LFZ	2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid
+c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	LG	l-guanosine-5'-monophosphate
+COc1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCN(C3=O)c4ccc(cc4)C5(CC5)CN6CCCC6	LG0	1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+Cc1cc2c3cc(ccc3[n+](c-4c2c(c1)N(c5c4cc(cc5)F)C)C)F	LG1	3,11-difluoro-6,8,13-trimethyl-8h-quino[4,3,2-kl]acridin-13-ium
+Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(CCC2(C)C)(C)C	LG2	6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid
+c1cnc(nc1N)N	LG3	pyrimidine-2,4-diamine
+Cc1ccc(nc1)N	LG4	5-methylpyridin-2-amine
+CN1CC=CC(=C1)N	LG5	1-methyl-1,6-dihydropyridin-3-amine
+C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)OP(=O)(O)O	LG6	l-guluronic acid 6-phosphate
+c1ccc2c(c1)c(ccc2N3C(=O)[C@@H]4[C@@H](CCN4C3=O)O)C#N	LG7	4-[(7r,7as)-7-hydroxy-1,3-dioxotetrahydro-1h-pyrrolo[1,2-c]imidazol-2(3h)-yl]-1-naphthonitrile
+C[N+]1=CC(=C2C(=C3c4ccccc4[N+]5=C3C[C@@H](CC5)CN(C)C)C(=O)NC2=O)c6c1cccc6	LG8	3-(8-dimethylaminomethyl-6,7,8,9-tetrahydro-pyrido[1,2-a]indol-10-yl)-4-(1-methyl-1h-indol-3-yl)-pyrrole-2,5-dione
+C1[C@@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@H]2O)O)CO)CO)O	LG9	(1r,2r,3r,6r,7r,7ar)-3,7-bis(hydroxymethyl)hexahydro-1h-pyrrolizine-1,2,6-triol
+c1cnc(nc1)N	LGA	pyrimidin-2-amine
+Cc1c(ccc(c1Cl)C#N)/N=C\2/N3CC[C@@H]([C@H]3[C@@H](O2)C(F)(F)F)O	LGB	2-chloro-4-{[(1r,3z,7s,7as)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1h-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met hylbenzonitrile
+C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O	LGC	d-glucono-1,5-lactone
+c1cc2c(cc1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F	LGD	6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)quinolin-2(1h)-one
+Cc1c(c(c2c(n1)C(=O)N(C2)CC(=O)OC)c3ccc(cc3Cl)Cl)CN	LGE	methyl [3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]acetate
+COc1c(cc2c(c[nH]c2n1)C(=O)C(=O)N3CC[C@H](C3)O)C(=O)N4CCn5c(cnc5c6ccc(cc6F)F)C4	LGF	1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{h}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{r})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione
+CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C	LGG	n-acetyl-l-alpha-glutamyl-l-phenylalanyl-l-glutaminyl-n-[(1s)-4-amino-1-(2-carboxyethyl)-4-oxobutyl]-l-leucinamide
+Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]	LGH	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
+CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)C5=NNC(=O)N5)C(F)(F)F	LGJ	n-(3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
+CS(=O)(=O)c1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C6=NNC(=O)N6)C3=O	LGK	6-(2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+c1ccc(c(c1)CN2CCCC2)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O	LGL	1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+Cc1c2c(n(n1)c3cccc(c3)C4=NNC(=O)N4)C(=O)N(CC2)c5ccc(cc5)c6ccccc6CN7CCCC7	LGM	3-methyl-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	LGN	n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->3)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
+c1nc2c(n1CO[C@@H](CO)COP(=O)(O)O)N=C(NC2=O)N	LGP	n9-1-hydroxy-prop-2-oxymethyl-guanine-3'-monophosphate
+c1ccc(cc1)c2nc(c3c(n2)[nH]nc3Nc4ccc(cc4)C(F)(F)F)N	LGQ	6-phenyl-~{n}3-[4-(trifluoromethyl)phenyl]-1~{h}-pyrazolo[3,4-d]pyrimidine-3,4-diamine
+CC(=O)N(C)c1ccccc1C(=O)O	LGR	2-[acetyl(methyl)amino]benzoic acid
+CCCCCCCC/N=C\1/N2[C@H](CO1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O	LGS	(3z,5s,6r,7s,8r,8ar)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
+[C@@H]([C@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O	LGT	l-glucaric acid
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@H]1O)O)C(=O)O)O)O	LGU	alpha-l-gulopyranuronic acid
+c1cc2c(nc(nn2c1)CNC(=O)c3ccc(nc3)F)Nc4cc(n[nH]4)C5CC5	LGV	n-({4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide
+c1cc2c(nc(nn2c1)[C@@H]3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6	LGW	n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-{(2s)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
+c1cc2c(nc(nn2c1)[C@H]3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6	LGX	n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-{(2r)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
+C(CC/N=C/CCC=O)C[C@@H](C(=O)O)N	LGY	(e)-n~6~-(4-oxobutylidene)-l-lysine
+c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@H]3c4ccccc4C[C@H]3OC(=O)N)Cc5ccccc5)O)NC(=O)OC6CCOC6	LGZ	carbamic acid 1-{5-benzyl-5-[2-hydroxy-4-phenyl-3-(tetrahydro-furan- 3-yloxycarbonylamino)-butyl]-4-oxo-4,5-dihydro-1h-pyrrol-3-yl}- indan-2-yl ester
+[H]/N=C(\c1ccc(cc1)NC[C@@H]2Cc3ccccc3B(O2)O)/N	LH2	4-[[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide
+COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccc(cc5)C(=O)OC	LH3	methyl 4-(2-{5-[(3as,4s,6ar)-2-oxo-hexahydro-1h- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate
+c1cc(c(c(c1)c2ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7	LH4	5-[(3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4- d]imidazolidin-4-yl]-n'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide
+[H]/N=C(/c1ccc(cc1OCc2cccnc2)[C@@H]3Cc4ccccc4B(O3)O)\N	LH5	4-[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
+Cc1c(cnn1[C@H]2CCS(=O)(=O)C2)C(=O)NCc3ccc(cc3)F	LH7	1-[(3s)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-n-[(4-fluorophenyl)methyl]-5-methyl-1h-pyrazole-4-carboxamide
+[H]/N=C(/c1ccc(cc1)[C@@H]2Cc3ccccc3B(O2)O)\N	LH8	4-[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide
+CCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO)O	LH9	[(2~{s})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate
+c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)NC(=O)[C@H](CCN)O)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N	LHA	doubly functionalized paromomycin pm-ii-162
+COCN1C=C(C(=NC1=O)N)CNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	LHB	5-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]methyl]-4-azanyl-1-(methoxymethyl)pyrimidin-2-one
+C1=CN(C(=O)N=C1N)CC[C@@H](C(=O)O)N	LHC	(2s)-2-amino-4-(4-amino-2-oxopyrimidin-1(2h)-yl)butanoic acid
+COCN1C=C(C(=NC1=O)N)C[NH2+]CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	LHD	2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]azanium
+CCC[C@@H](C(=O)O)NC[C@H]([C@H](CC(C)C)N)O	LHE	n-[(2r,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-norvaline
+c1cc(ccc1OCCN2C=C(C(=NC2=O)N)CNCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Br	LHF	5-[[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC	LHG	1,2-dipalmitoyl-phosphatidyl-glycerole
+CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	LHH	[(2~{r},3~{r},4~{r},5~{r})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H](C(=O)NCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)[C@@H](C)O[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)CO)OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)NC(=O)C	LHI	[(2r,3r,4r,5s,6r)-4-[(2r)-1-[[(2s)-1-[2-[2-[2-[5-[(3as,4s,6ar)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-acetamido-5-[(2s,3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl] [oxidanyl(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate
+Cc1ccc(cc1C2=Cc3cnn(c3N(C2=O)C)c4ccc(cc4F)F)C(=O)NC5CC5	LHJ	n-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
+C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H](CC(=O)O)C(=O)O	LHK	(2~{s})-2-[[(2~{s})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid
+CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C	LHL	3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F	LHM	n-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
+Cc1ccc2c(c1)C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	LHO	2-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methylisoquinoline-1(2h)-thione
+CCC(=O)O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)C	LHP	(3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4=CCC=CCO4)O	LHQ	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate
+CC(=O)Nc1ccc2cn[nH]c2c1	LHR	n-(1h-indazol-6-yl)acetamide
+COCc1nc(no1)C(=O)NCc2ccc(cc2)F	LHS	n-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	LHT	hydrolysed ertapenem
+C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O	LHU	l-uridine-5'-monophosphate
+CC(C)[C@@H](C(=O)O)O	LHV	(2s)-2-hydroxy-3-methylbutanoic acid
+O[Mo]123[O+]4[Mo]56(O[Mo]47(O[Mo]89([O+]1[Mo]1(O8)(O[Mo]48([O+]2[Mo](O4)(O5)(O[Mo]24(O6)([O+2]33[Mo](O7)(O9)(O2)(O[Mo]3(O8)(O1)(O4)O)O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O	LHW	mo(10)-o(35) cluster
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)NO	LHY	l-[(n-hydroxyamino)carbonyl]phenylalanine
+Cc1cnc(nc1c2cn3c(n2)C(=O)N([C@H](C3)COC)Cc4ccc(c(c4)F)F)Nc5ccnn5C	LHZ	(6~{r})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
+[Li+]	LI	lithium ion
+CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(CC4)(Cc5ccccc5)OC	LI0	4-(4-benzyl-4-methoxypiperidin-1-yl)-n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide
+CC(C)CCCCCCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C	LI1	1-[2,6,10.14-tetramethyl-hexadecan-16-yl]-2-[2,10,14-trimethylhexadecan-16-yl]glycerol
+c1cc2c(cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4)c(c[nH]2)CCc5ccncc5	LI2	3-fluoro-5-morpholin-4-yl-n-[3-(2-pyridin-4-ylethyl)-1h-indol-5-yl]benzamide
+c1cc2c(cc[nH]2)cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4	LI3	3-fluoro-n-1h-indol-5-yl-5-morpholin-4-ylbenzamide
+c1ccc2c(c1)cccc2COc3cccnc3N	LI4	3-(1-naphthylmethoxy)pyridin-2-amine
+CCC(=O)C(=O)C[C@H](CO[P@H](=O)O)O	LI5	2-hydroxy-4,5-dioxoheptyl hydrogen phosphonate
+CN1c2ccccc2C(=C(C1=O)O)O	LI6	3,4-dihydroxy-1-methylquinolin-2(1h)-one
+c1ccc2c(c1)/C(=N/c3ccc(cc3)O)/C(=O)N2	LI7	(3e)-3-[(4-hydroxyphenyl)imino]-1h-indol-2(3h)-one
+CC(C)(C(=O)N)C(=O)NCCCNc1c(cnc(n1)Nc2cccc(c2)NC(=O)N3CCCC3)Br	LI8	n-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide
+C[C@@H](c1ccccc1)Nc2nccc(n2)C3=C(C(=O)N(N3C)C4CCNCC4)c5ccc(cc5)F	LI9	4-(4-fluorophenyl)-1-methyl-5-(2-{[(1s)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3h-pyrazol-3-one
+COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F	LIA	(4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone
+C[C@@H](C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)Nc3ccccc3Cl	LIB	3-(2-chlorophenyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
+C[C@@H](C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)NCc3ccccc3Cl	LIC	3-(2-chlorobenzyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
+CCn1c2c(cnc(n2)Nc3c(cccc3F)F)nc1Nc4ccccc4Cl	LID	8-(2-chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9h-purine-1,7-diium
+CC(C)n1c2c(cnc(n2)Oc3c(cccc3F)F)nc1Nc4ccccc4F	LIE	2-(2,6-difluorophenoxy)-n-(2-fluorophenyl)-9-isopropyl-9h-purin-8-amine
+COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F	LIF	n-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-n'-[2-fluoro-5-(trifluoromethyl)phenyl]urea
+c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4	LIG	3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole
+Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4	LIH	6-([5-quinolylamino]methyl)-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
+Cc1c(cnc2c1c(nc(n2)N)N)\C=C/c3cc(ccc3OC)OC	LII	(z)-6-(2-[2,5-dimethoxyphenyl]ethen-1-yl)-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
+CCCC(CCC)S(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNCc2cccc(c2)OC)O)NC(=O)OCc3ccccc3	LIJ	benzyl [(1s)-2-({(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}amino)-2-oxo-1-{[(1-propylbutyl)sulfonyl]methyl}ethyl]carbamate
+CCCCC(=C)CCC(=C)CC(=O)O	LIK	3,6-bis(methylene)decanoic acid
+CCCCCCCCCCCC[C@@H](CC(=O)O)OC(=O)CCCCCCCCCCCC	LIL	2-tridecanoyloxy-pentadecanoic acid
+CCCCCCCCCCCCC(=O)CC(=O)O	LIM	3-oxo-pentadecanoic acid
+CC(=O)CC(=O)O	LIN	3-oxo-butyric acid
+CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	LIO	[1-pentadecanoyl-2-decanoyl-glycerol-3-yl]phosphonyl choline
+[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O	LIP	l-myo-inositol-1-phosphate
+CCCCCS(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNCc2cccc(c2)CC)O)NC(=O)c3cccnc3	LIQ	n-{(1s)-2-({(1s,2r)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}amino)-2-oxo-1-[(pentylsulfonyl)methyl]ethyl}nicotinamide
+CN1C(=O)c2c([n+](c([nH]2)N3CCC[C@@H](C3)N)Cc4ccccc4C#N)C1=O	LIR	2-[(3s)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-ium
+C1[C@@H](O1)C[C@@H](C(=O)O)N	LIS	(2s,4s)-2-amino-4,5-epoxipentanoic acid
+c1cc(oc1c2nnc(o2)SCC(=O)O)[N+](=O)[O-]	LIT	{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid
+CC1(CCN(CC1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c(c3)[N+](=O)[O-])NC(C)(C)CSc4ccccc4)C	LIU	n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)N)O)O)N	LIV	(2r,3s,4s,5s,6r)-2-((2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3s,4r,5s)-5-((1r,2r,3s,5r,6s)-3,5-diamino-2-((2s,3r ,5s,6r)-3-amino-5-hydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-4-hydroxy-2-(hydroxymet hyl)-tetrahydrofuran-3-yloxy)-4-hydroxy-tetrahydro-2h-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2h-pyran-3,4,5-triol
+CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccccc6	LIW	4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide
+CCc1c(c(nc(n1)N)NCCNS(=O)(=O)c2ccc3ccccc3c2)c4ccc5c(c4)N(C(=O)C(O5)(C)C)CCCOC	LIX	n-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl]pyrimidin-4-yl}amino)ethyl]naphthalene-2-sulfonamide
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N([C@@H](CC3)c4ccccc4)CCCOC	LIY	6-ethyl-5-[(2s)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
+c1cc(ccc1C[C@H](C[N@](CC(=O)O)[C@H]2CCCC[C@@H]2N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO	LIZ	n-{(1s,2s)-2-[bis(carboxymethyl)amino]cyclohexyl}-n-{(2r)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine
+Cc1cc(cc(c1O)C)\C=C\c2ccccc2	LJ1	2,6-dimethyl-4-[(e)-2-phenylethenyl]phenol
+c1ccc(cc1)\C=C\c2cc(c(c(c2)Br)O)Br	LJ2	2,6-dibromo-4-[(e)-2-phenylethenyl]phenol
+c1ccc(cc1)c2cc(c(c(c2)Br)O)Br	LJ3	3,5-dibromobiphenyl-4-ol
+c1ccc(cc1)Oc2cc(c(c(c2)Br)O)Br	LJ4	2,6-dibromo-4-phenoxyphenol
+c1ccc(cc1)C(=O)Nc2cc(c(c(c2)Br)O)Br	LJ5	n-(3,5-dibromo-4-hydroxyphenyl)benzamide
+Cc1c(c(on1)C)C[C@@H](C)C(=O)N(C)C	LJ6	(2r)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-n,n,2-trimethylpropanamide
+CC(C)n1ccc(n1)C(=O)NCc2ccc(cc2)F	LJ7	n-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1h-pyrazole-3-carboxamide
+C[C@@H](CCc1ccccc1)CCP(=O)(C[C@@H](CCC(=O)N)C(=O)O)O	LJ8	(2~{s})-5-azanyl-2-[[[(3~{s})-3-methyl-5-phenyl-pentyl]-oxidanyl-phosphoryl]methyl]-5-oxidanylidene-pentanoic acid
+CCc1c2ccc(cc2n(n1)c3ccccc3)N4C[C@H]5CNC[C@H]5C4	LJ9	3-ethyl-6-[(3ar,6as)-hexahydropyrrolo[3,4-c]pyrrol-2(1h)-yl]-1-phenyl-1h-indazole
+CC(=O)Nc1cccc(c1)NC(=O)N	LJA	n-[3-(carbamoylamino)phenyl]acetamide
+O[Mo]12[O+]3[Mo]4(O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O+]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O	LJB	mo(8)-o(26) cluster
+Cn1cc(cn1)C(=O)NCc2ccc(cc2)Cl	LJD	n-[(4-chlorophenyl)methyl]-1-methyl-1h-pyrazole-4-carboxamide
+Cc1cc(ccc1Oc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F	LJE	n-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide
+C=Nc1ncc(c(n1)c2cccnc2Oc3ccc(cc3)NC(=O)c4ccccc4Nc5ccccc5)F	LJF	n-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide
+CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(cc1)N)S(=O)(=O)c2ccc(cc2)N	LJG	n,n'-(iminodiethane-2,1-diyl)bis[4-amino-n-(2-methylpropyl)benzenesulfonamide]
+c1ccc(cc1)CN(CCNCCN(Cc2ccccc2)S(=O)(=O)c3ccc(cc3)N)S(=O)(=O)c4ccc(cc4)N	LJH	n,n'-(iminodiethane-2,1-diyl)bis(4-amino-n-benzylbenzenesulfonamide)
+Cc1nnc(o1)NC2CCCCCC2	LJJ	n-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine
+CCC(C)(C)NC(=O)c1cc(n[nH]1)C	LJK	3-methyl-n-(2-methylbutan-2-yl)-1h-pyrazole-5-carboxamide
+CCc1cnc(s1)C(=O)NCc2ccc(cc2)F	LJM	5-ethyl-n-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide
+CC(=O)NCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	LJN	[(2~{r},3~{s},4~{r},5~{r})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC1(Cc2c(c(sc2C(O1)(C)C)NC(=O)c3cc[nH]n3)C(=O)N)C	LJP	n-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5h-thieno[2,3-c]pyran-2-yl)-1h-pyrazole-3-carboxamide
+CNS(=O)(=O)CC1CCCCC1	LJR	1-cyclohexyl-n-methylmethanesulfonamide
+CC1=C(/C(=C\N=C(/C=C\CP(=O)(O)O)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	LJS	(2e,3z)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid
+COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4)CCO)Cl	LJT	2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
+Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C#N	LJV	6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile
+[H]/N=C(\c1cc2c(ccc(c2s1)OC(C)C)NC)/N	LJW	4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
+COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl	LJY	4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile
+c1cc(c(cc1)Cl)NC(=O)CCC(=O)/N=N/C=C2C=CC(=C/N=N/C(=O)CCC(=O)Nc3c(cccc3)Cl)C=C2	LJZ	4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(e)methylylidene(e)diazene-2,1-diyl]}bis[n-(2-chlorophenyl)-4-oxobutanamide]
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccc(cc2)c3cccnc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC	LK0	methyl n-[(2s)-1-[[(2s,3s,5s)-5-[[(2s)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O	LK1	n-[(6-butoxynaphthalen-2-yl)sulfonyl]-l-glutamic acid
+CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O	LK2	n-[(6-butoxynaphthalen-2-yl)sulfonyl]-d-glutamic acid
+CCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O	LK3	n-{[6-(pentyloxy)naphthalen-2-yl]sulfonyl}-d-glutamic acid
+c1cc(ccc1COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)C#N	LK4	n-({6-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid
+CCCCO[C@@H]1CCC[C@@H]2C1=C(N[C@@H]2[C@@H](CC)C=O)C(=O)O	LK5	(1s,4r,7ar)-4-butoxy-1-[(1r)-1-formylpropyl]-2,4,5,6,7,7a-hexahydro-1h-isoindole-3-carboxylic acid
+C[C@]1(CCS(=O)(=O)C1)NC(=O)C2CC2	LK6	n-[(3r)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide
+CC=C(C=O)[C@H]1[C@H]2CCC[C@@H](C2=C(N1)C(=O)O)OC	LK7	(1r,4s,7as)-1-(1-formylprop-1-en-1-yl)-4-methoxy-2,4,5,6,7,7a-hexahydro-1h-isoindole-3-carboxylic acid
+Cc1cc(c2cccc(c2n1)OCc3c(ccc(c3Cl)C(=O)N4CCC[C@H]4C(=O)NC)Cl)C(F)(F)F	LK8	(2~{s})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{n}-methyl-pyrrolidine-2-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)N)O)O)O)O	LKA	5-thio-alpha-d-mannopyranosylamine
+c1cc(cnc1)C(=O)Nc2c[nH]c3c2cc(cn3)c4ccc(cc4)C#N	LKB	~{n}-[5-(4-cyanophenyl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
+CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)O	LKC	4-amino-1-[(1s,3r,4r,7s)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]hept-3-yl]-5-methylpyrimidin-2(1h)-one
+CNC1CCC(CC1)N(Cc2cc(ccc2OC)c3ccncc3)C(=O)c4c(c5c(ccc(c5s4)F)F)Cl	LKD	3-chloro-4,7-difluoro-n-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-n-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)CN)CC(=O)O)N=[N+]=[N-]	LKE	2-[(4~{z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)C[C@H](C)OC	LKF	4-[3-[1-[(2s)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine
+c1ccc(cc1)c2ccc3nnc(n3n2)Cc4ccc(cc4)O	LKG	4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
+c1cc(ccc1/C=N/N2C(=NNC2=S)c3ccc(cc3)Cl)C(=O)O	LKH	4-[(~{e})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{h}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
+c1ccc(cc1)c2cccc(c2)CNC(=O)c3cc(cc(n3)C(=O)N4CCC[C@@H]4CN5CCCC5)c6cc(nc(c6)C(=O)N7CCC[C@@H]7Cn8cccc8)C(=O)N[C@H](C9CCCCC9)C(=O)O	LKJ	(2r)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2r)-2-(1h-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid
+CCC(CC)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Br)S(=O)(=O)O	LKK	3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid
+CN(CCO)c1c(cc(cn1)Cl)F	LKL	2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol
+c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O	LKM	n-({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid
+c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@H](C4CCC(CC4)O)O	LKP	trans-4-{(1r)-2-[(5s)-6-fluoro-5h-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol
+Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)c4cccnc4C)Nc5cn(nc5OC)C	LKQ	~{n}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{h}-indol-7-yl]-2-methyl-pyridine-3-carboxamide
+[H]/N=C(/Cc1ccccc1)\N[C@@H]2[C@H]([C@H]([C@@H]([C@H](S2)CO)O)O)O	LKS	n-[(1z)-2-phenylethanimidoyl]-5-thio-alpha-d-mannopyranosylamine
+c1cc(c(c(c1)Cl)C#N)N2CC[C@@H](C2)[C@H](CC#N)n3cc(cn3)c4c5cc[nH]c5ncn4	LKT	2-chloranyl-6-[(3~{s})-3-[(1~{s})-2-cyano-1-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile
+Cc1ccc(cc1O)NC(=O)c2cccc(c2)F	LKU	3-fluoro-n-(3-hydroxy-4-methylphenyl)benzamide
+CCc1ccc(cc1)c2c3c(cc(nc3n[nH]2)c4ccc(cc4)C(=O)O)C(=O)O	LKW	6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+Cc1c(cc(cc1NC(=O)c2cccc(c2)C#N)F)CN3CCN([C@H](C3)C)C(=O)C4CCCC4	LKY	3-cyano-n-(3-{[(3s)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide
+CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O	LKZ	3,5,7,9,11-pentakis(oxidanylidene)dodecanal
+c1ccc(c(c1)OC(F)F)S(=O)(=O)N	LL0	2-(difluoromethoxy)benzene-1-sulfonamide
+c1ccc2c(c1)c(n[nH]2)c3ccncc3	LL1	3-pyridin-4-yl-1h-indazole
+c1ccc(cc1)Cc2cnc(s2)N	LL2	5-benzyl-1,3-thiazol-2-amine
+c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4	LL3	2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone
+CC(C)CCC(=O)N1CCC(CC1)c2nc(no2)c3cccs3	LL4	4-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one
+CC(C)[C@@H](C(=O)N1CCC(CC1)c2nc(no2)c3cccs3)N	LL5	(2s)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one
+COc1cc(cc(c1OC)OC)NC(=O)CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3	LL7	(2~{s})-~{n}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(phenylmethyl)sulfonyl-piperidine-2-carboxamide
+CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC	LL8	1-(6-methoxynaphthalen-2-yl)butane-1,3-dione
+COc1ccc(cc1Cl)CNCCS(=O)(=O)O	LL9	2-[(3-chloro-4-methoxybenzyl)amino]ethanesulfonic acid
+c1ccc(cc1)C[C@@H](C(=O)O)O	LLA	l-2-hydroxy-3-phenyl-propionic acid
+CC1CCN(CC1)CCOc2ccc(cc2)C(=O)c3c4ccc(cc4sc3c5ccc(cc5)O)O	LLB	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone
+c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCC5)O	LLC	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
+c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCNC(=O)c3cccnc3	LLD	2-(pyridin-3-ylcarbonylamino)ethyl (2~{s})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate
+CC(=O)C/C(=C/C(=C/C(=C/C(=O)C[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)(O)O)O)/O)/O)/O	LLE	(2~{r})-3,3-dimethyl-2-oxidanyl-~{n}-[3-oxidanylidene-3-[2-[(1~{r},4~{z},6~{z},8~{z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C=NCC(F)F)O	LLF	(4-{(e)-[(2,2-difluoroethyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+c1ccc2c(c1)cccc2CC(=O)OCCN	LLG	2-aminoethyl naphthalen-1-ylacetate
+[C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O	LLH	(2r,3s,4r)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid
+COc1ccc(cc1OCCN2CCNC2=O)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5	LLI	(4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-methoxy-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
+c1cc2cc3c1ccc(c3)C[NH2+]CCOCC[NH2+]Cc4ccc5ccc(cc5c4)C[NH2+]CCOCC[NH2+]C2	LLJ	6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene
+C/C=C/C(=O)c1ccc2cc(ccc2c1)OC	LLK	(2e)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O	LLL	(2r,3r,4r,5r)-2-((1s,2s,3r,4s,6r)-4,6-diamino-3-((2r,3r,6s)-3-amino-6-(aminomethyl)-tetrahydro-2h-pyran-2-yloxy)-2-hydr oxycyclohexyloxy)-5-methyl-4-(methylamino)-tetrahydro-2h-pyran-3,5-diol
+C[C@@H]1C[C@@H]2CC=C[C@H](O2)C/C=C\C(=O)O[C@@H](C[C@H]3[C@@H](O3)[C@H](CC(=C)C1)O)[C@H](/C=C/[C@@H]4CC(=CCO4)C)O	LLM	laulimalide
+c1cc(c(cc1C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4)OCCN5CCNC5=O)OCCO	LLN	(4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-(2-hydroxyethyloxy)-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
+C[C@@H](CC(C)(C)O)NCCCC[C@@H](C(=O)O)N	LLO	n~6~-[(1s)-3-hydroxy-1,3-dimethylbutyl]-l-lysine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCCC(C(=O)O)N)O	LLP	(2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
+C([C@@H](CS(=O)(=O)O)O)O	LLQ	(2~{s})-2,3-bis(oxidanyl)propane-1-sulfonic acid
+Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O)[C@@H]4c5ccccc5C(=O)O4	LLS	(3~{s})-3-[1-[4,5-bis(chloranyl)-1~{h}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{h}-2-benzofuran-1-one
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O	LLT	l-deoxythymidine
+C[C@@H](C(=O)O)Oc1ccccc1F	LLU	(2s)-2-(2-fluorophenoxy)propanoic acid
+c1ccc(cc1)c2ccc(c(c2)NC(=O)c3ccccc3)N	LLX	n-(4-aminobiphenyl-3-yl)benzamide
+C(CCNC(C(=O)O)C(=O)O)C[C@@H](C(=O)O)N	LLY	nz-(dicarboxymethyl)lysine
+C[C@@H](CC(=O)c1ccc2cc(ccc2c1)OC)NCCCC[C@@H](C(=O)O)N	LLZ	n~6~-[(1s)-3-(6-methoxynaphthalen-2-yl)-1-methyl-3-oxopropyl]-l-lysine
+CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](N/C(=N\O)/[C@@H]([C@H]3O)O)CO)CO)CO	LM2	4'-o-methyl-maltosyl-alpha (1,4)-(z, 3s,4s,5r,6r)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one
+CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4	LM3	n,n-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine
+CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccncc4	LM4	n,n-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine
+C[C@H]1[C@H]([C@H]([C@@H](N1)C(=O)NCc2ccccc2)O)O	LM5	(3s,4r,5s)-n-benzyl-3,4-dihydroxy-5-methyl-d-prolinamide
+CCn1c(ccn1)CNC	LM6	1-(1-ethyl-1h-pyrazol-5-yl)-n-methylmethanamine
+c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O	LM7	1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1h,3h)-dione
+CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)O	LM8	(5z,8z,11z,13s,14z)-13-methylicosa-5,8,11,14-tetraenoic acid
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]3C[C@@]([C@@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)[C@H](C)[C@@H](C)O)C)OC(=O)C)C)(C)O)C)C)OC	LMA	lankamycin
+CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@@H]([C@@H](C)CCC(=O)O)O	LMB	leptomycin b, bound form
+C/C(=C\C=O)/C=C/C=C/1\C(c2ccccc2N1C)(C)C	LMC	(2e,4e,6e)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)hexa-2,4-dienal
+CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LMD	tetradecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+C[C@H](CC(=O)O)[C@@H](C(=O)O)N	LME	(2s,3r)-2-azanyl-3-methyl-pentanedioic acid
+CNC(=S)NCCCC[C@@H](C(=O)O)N	LMF	nz(n-methyl thioformamide) lysine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC	LMG	1,2-distearoyl-monogalactosyl-diglyceride
+C[C@@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	LMH	glucosyl-dolichol phosphate
+CC1(c2c(c3cc(c(cc3[nH]2)Br)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	LMJ	(5as,12as,13as)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7 ,6-b]carbazol-14-one
+CCCCCCCCCCCCCCCCC[C@H](O)OC[C@H](COCC[C@H](C(=O)O)[N+](C)(C)C)O[C@@H](CCCCCCCCCCCCCCCCC)O	LMK	trimethyl-[(2~{r})-1-oxidanyl-1-oxidanylidene-4-[(2~{s})-2-[(1~{s})-1-oxidanyloctadecoxy]-3-[(1~{r})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium
+CC(C)CC(C(=O)O)C(=O)O	LML	isobutyl malonic acid
+Cc1csc2c1nc(nc2Nc3cn(cn3)C)N[C@@H](C)c4ncc(cn4)F	LMM	n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-n4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
+CCCCCCCCCCC(CCCCCCCCCC)(CO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O)O)CO[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O	LMN	lauryl maltose neopentyl glycol
+CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O	LMO	dodecyl 6-o-alpha-d-galactopyranosyl-beta-d-glucopyranoside
+C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C	LMP	(2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+C[C@@H](CC(=O)N)[C@@H](C(=O)O)N	LMQ	(3s)-3-methyl-l-glutamine
+C([C@@H](C(=O)O)O)C(=O)O	LMR	(2s)-2-hydroxybutanedioic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N	LMS	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl sulfamate
+CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LMT	dodecyl-beta-d-maltoside
+CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LMU	dodecyl-alpha-d-maltoside
+CC(C)CS(=O)(=O)NC(=O)c1ccc2c(c1)N(C[C@@H](O2)c3ccc(cc3Cl)Cl)CC4CCC4	LMV	(2~{s})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{n}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
+CCN(CCO)c1ccc(cc1)N	LMW	2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol
+Cc1c(ccc2c1cc(n2CC34CC(C3)(C4)NC=O)C#N)CN5CCC(CC5)Nc6c7cc(sc7nc(n6)NC)CC(F)(F)F	LMY	~{n}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide
+C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O	LMZ	5-nitroso-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione
+CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(=O)C	LN0	methyl 6,8-dideoxy-6-{[(4r)-1-methyl-4-propyl-l-prolyl]amino}-1-thio-d-glycero-alpha-d-galacto-octopyranosid-7-ulose
+C[C@](COC(=O)Cc1ccc(c(c1)O)O)([C@H](C(=O)O)Nc2c(cc3n2cccc3)C=O)[S@@](=O)O	LN1	(3r)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-n-(2-formylindolizin-3-yl)-3-sulfino-d-valine
+CN(c1ccc(cc1)NC(=O)Nc2cc(ccc2F)C(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N	LN4	1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea
+[H]/N=C(/CC)\NCCC[C@@H](C(=O)O)N	LN5	n5-(1-iminopropyl)-l-ornithine
+[H]/N=C(\CCCC)/NCCC[C@@H](C(=O)O)N	LN6	n~5~-[(1e)-pentanimidoyl]-l-ornithine
+CCCC[C@@H](N)NCCC[C@@H](C(=O)O)N	LN7	n~5~-[(1s)-1-aminopentyl]-l-ornithine
+C1CC2CCC1[NH2+][Pt]([NH2+]2)(Cl)Cl	LN8	kiteplatin
+CCCCC\C=C/C/C(=C\CCCCCCCC(=O)O)/[N+](=O)[O-]	LNA	(9e,12z)-10-nitrooctadeca-9,12-dienoic acid
+CCCCC\C=C(/C\C=C/CCCCCCCC(=O)O)\[N+](=O)[O-]	LNB	(9z,12e)-12-nitrooctadeca-9,12-dienoic acid
+c1c(c[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)CC[C@@H](C(=O)O)O	LNC	(3s)-5-(3-carboxy-3-hydroxypropyl) nicotinamide-adenine-dinucleotide
+c1c[n+](ccc1C(=O)N)CCCn2ccnc2/C=N/O	LND	4-carbamoyl-1-(3-{2-[(e)-(hydroxyimino)methyl]-1h-imidazol-1-yl}propyl)pyridin-1-ium
+CCNC(=O)[C@H](CC(C)C)N	LNE	n-ethyl-l-leucinamide
+CC(C)CCCCCCC/C=C\CC(=O)O	LNG	delta-3isotetradecenoic acid
+CC(=O)Nc1ccc2c(c1)c(cn2CCC(=O)O)c3cc(n4c(n3)c(cn4)C#N)NC5CC5	LNH	3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1h-indol-1-yl}propanoic acid
+COc1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N	LNJ	4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
+CCCCC	LNK	pentane
+CCC=CCC=CC\C=C/CCCCCCCC(=O)O	LNL	alpha-linolenic acid
+CC(C)C[C@@H](C(=O)NC)N	LNM	n-methyl-l-leucinamide
+c1ccc(cc1)c2cc(ccc2O)CC(=O)O	LNN	(6-hydroxybiphenyl-3-yl)acetic acid
+CC(C)C[C@@H](C(=O)NO)N	LNO	l-leucyl-hydroxylamine
+C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@H]3C2=CC[C@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C=C5CC5	LNP	(3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol
+CCCOCCOCCOCCCNC1=C(C(=O)C1=O)N	LNQ	3-amino-4-{3-[2-(2-propoxy-ethoxy)-ethoxy]-propylamino}-cyclobut-3-ene-1,2-dione
+c1cc(c(cc1[C@H](CN)O)O)O	LNR	l-norepinephrine
+CNC(=O)c1cccc(n1)C(=O)O	LNS	6-(methylcarbamoyl)pyridine-2-carboxylic acid
+C[C@H]([C@@H](C(=O)O)NC([C@H](CC(C)C)N)(O)O)O	LNT	n-[(2s)-2-amino-1,1-dihydroxy-4-methylpentyl]-l-threonine
+[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O	LNV	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-methyl-d-glycero-d-galacto-non-2-enonic acid
+c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O	LNW	2,2'-biphenyl-3,5-diyldiacetic acid
+c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O	LNX	2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid
+c1cc(sc1C#CCO)c2cc(cc(c2)CC(=O)O)CC(=O)O	LNY	2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid
+Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#CCO)OC	LNZ	5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-n-(methylsulfonyl)benzamide
+c1cc(ccc1CN)NC(=O)C(=O)O	LO1	[[4-(aminomethyl)phenyl]amino]oxo-acetic acid,
+CCCC[N@](Cc1cc(c(c(c1)Cl)OC)OC)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O	LO2	2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
+C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@]3(CO3)[C@H](C[C@@H]4CC=C[C@H](O4)C[C@H]([C@@H](/C=C(/C=C/C(=O)O2)\C)O)OC)OC)OC)OC)C)O)OC	LO3	(1s,3s,4s,5s,7r,8s,9r,12e,14e,16r,17r,19r)-16-hydroxy-9-{(1s,2s,3s)-2-hydroxy-5-[(2s,4r,6s)-4-methoxy-6-methyltetrahydro-2h-pyran-2-yl]-1,3-dimethylpentyl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11h-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one
+CC1(CCCCC1)COc2ccc(cc2)CC3=SC(=O)NC3=O	LO4	ciglitazone
+c1cc2c(cc1CNC[C@H]3CCCO3)OCO2	LO5	1-(1,3-benzodioxol-5-yl)-~{n}-[[(2~{r})-oxolan-2-yl]methyl]methanamine
+C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC(F)F	LO6	2-(difluoromethoxy)-1-[(2r,6s)-2,6-dimethylmorpholin-4-yl]ethan-1-one
+CCc1ccc(nc1)C(=O)COc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3	LO7	mitoglitazone
+C[C@]1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3	LO8	(2~{s})-2-methyl-4-(oxetan-3-yl)-~{n}-(phenylmethyl)piperazine-2-carboxamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C	LOA	(3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid
+C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O	LOB	lobeline
+CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	LOC	n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]ethanamide
+c1cc2c(cc1C(=O)O)N(C[C@@]3(CCc4c3ccc(c4)Cl)CO2)CC5CCC5	LOD	(3s)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2h-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid
+C1CCC2(CC1)OC[C@@H](O2)CN3CCCCC3	LOE	1-[[(3~{s})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine
+c1ccc(cc1)C[C@@H](C(=O)O)O	LOF	3-phenyl-lactic acid
+CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\O)CO)O)O	LOG	n-acetylglucosaminono-1,5-lactone (z)-oxime
+C(CN)[C@@H]([C@H]([C@@H](C(=O)O)N)O)O	LOH	3,4-dihydroxylysine
+Cc1csc(n1)NC(=O)c2cc(ccc2NC)Sc3nncn3C	LOI	2-(methylamino)-n-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]benzamide
+c1cc2c(cc1C(=O)O)N(C[C@@H](CO2)c3ccc(cc3Cl)Cl)CC4CCC4	LOJ	(3s)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid
+COC(=O)Nc1cccc(c1)NC(=O)OC	LOK	methyl ~{n}-[3-(methoxycarbonylamino)phenyl]carbamate
+CC(C)C[C@@H](C(O)O)N	LOL	(2s)-2-amino-4-methylpentane-1,1-diol
+c1cscn1	LOM	thiazole
+CN[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	LON	(7s)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5h-benzo[a]heptalen-9-one
+CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	LOP	(1r)-2-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(dodecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate
+Cc1ccc(cc1)N2C(=O)CCC2=O	LOQ	1-(4-methylphenyl)pyrrolidine-2,5-dione
+c1ccc(cc1)[C@H](C(=O)N[C@H](C=O)[C@H]2CCC(C(=N2)C(=O)O)Cl)N	LOR	loracabef (open form)
+c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=C(C=CC=C6)C7=CC=CC=[N]37	LOS	lambda-bis(2,2'-bipyridine)imidazole osmium (ii)
+c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O	LOT	6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide
+C1C[C@@]2([C@H]3[C@@H]([C@H]1O2)C(=O)N(C3=O)CC(=O)O)C[C@@H](C(=O)O)N	LOU	3-[(3ar,4s,7s,7as)-2-(carboxymethyl)-1,3-dioxooctahydro-4h-4,7-epoxyisoindol-4-yl]-l-alanine
+CC(C)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)O)O)N	LOV	5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoic acid
+C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)N	LOW	(5~{s},7~{r})-3-azanyladamantan-1-ol
+C1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O	LOX	(2z,3s,4s,5r)-2-hydroxyiminopiperidine-3,4,5-triol
+CC(C)(COP(=O)=O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H]4CCCN4)O	LOY	5'-deoxy-5'-[({(2r)-2-({2-[(n-{(2r)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2r)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine
+c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCN	LOZ	5-[[(1s,2r)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
+B(CNC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)(O)OP(=O)(O)O	LP0	(7z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid
+CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O	LP1	4-[2-(2-acetylamino-3-naphtalen-1-yl-propionylamino)-4-methyl-pentanoylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide
+CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O	LP2	n2-[[[3-naphtyl-n-methylcarbonyl-alaninyl-valinyl]-amino-[1-[2-methyl-propanyl]-2-hydroxy-propan-3-yl]-carbonyl]-3-methyl-alanyl]-3-naphtyl-alanyl-amine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O	LP3	(7r)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide
+CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	LP4	2-deoxy-3-o-[(3r)-3-hydroxytetradecanoyl]-2-{[(3r)-3-hydroxytetradecanoyl]amino}-4-o-phosphono-beta-d-glucopyranose
+CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	LP5	(r)-((2r,3s,4r,5r,6r)-3-hydroxy-2-(hydroxymethyl)-5-((r)-3-hydroxytetradecanamido)-6-(phosphonooxy)tetrahydro-2h-pyran-4-yl) 3-hydroxytetradecanoate
+C1CCN(CC1)CCCC[C@@H](C(=O)O)N	LP6	6-piperidin-1-yl-l-norleucine
+CCOC(=O)[C@H]1C(c2cccnc2N(C1=O)O)O	LP7	ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
+c1cc2c(nc1)N(C(=O)C(=C2O)C3CCCC3)O	LP8	3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1h)-one
+CCN(CC)c1ccc(cc1)Oc2cc3c(nc2)N(C(=O)C(=C3O)C(=O)OCC)O	LP9	3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium
+C1CSS[C@@H]1CCCCC(=O)O	LPA	lipoic acid
+C1CSS[C@H]1CCCCC(=O)O	LPB	5-[(3s)-1,2-dithiolan-3-yl]pentanoic acid
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O	LPC	[1-myristoyl-glycerol-3-yl]phosphonylcholine
+C1C[C@H](NC1)C(=O)N	LPD	l-prolinamide
+CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O	LPE	1-o-octadecyl-sn-glycero-3-phosphocholine
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F)NC(=O)C	LPF	1,1,1-trifluoro-3-((n-acetyl)-l-leucylamido)-4-phenyl-butan-2-one(n-acetyl-l-leucyl-l-phenylalanyl trifluoromethyl ketone)
+C#C[C@@H](C(=O)O)N	LPG	(2s)-2-aminobut-3-ynoic acid
+C#CC[C@@H](C(=O)O)N	LPH	l-propargylglycine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCSC)C(=O)O)O	LPI	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-methionine
+S1[Fe][S]2[Fe]1S[Fe]2[S]3[Fe]4S[Fe]5[S]4[Fe]3S5	LPJ	fe(6)-s(7) cluster
+C([C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O	LPK	l-psicose
+CC(C)C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O	LPL	leu-hydroxyethylene-leu
+C(CCC(=O)N)C[C@H](CCS)S	LPM	6,8-dimercapto-octanoic acid amide
+Cc1cc(c(c(c1)Cl)OCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCCOC)C5CC5)Cl	LPN	(3r,4s)-n-[2-chloro-5-(3-methoxypropyl)benzyl]-n-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide
+Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@]3(CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl	LPO	(3s,4r)-n-[2-chloro-5-(2-methoxyethyl)benzyl]-n-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC	LPP	2-(hexadecanoyloxy)-1-[(phosphonooxy)methyl]ethyl hexadecanoate
+Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6)Cl	LPQ	(3r,4s)-n-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-n-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide
+c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O	LPR	[n2-[(s)-1-carboxy-3-phenylpropyl]-l-lysyl-l-proline
+CCCCCCCCCCCCCCC(O)OC[C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O	LPS	o-{hydroxy[((2r)-2-hydroxy-3-{[(1s)-1-hydroxypentadecyl]oxy}propyl)oxy]phosphoryl}-l-serine
+C1CCC(CC1)[NH2][Pt+2][NH3]	LPT	cis-(ammine)(cyclohexylamine)platinum(ii) complex
+CS(=O)(=O)N1CCC(CC1)O	LPU	1-(methanesulfonyl)piperidin-4-ol
+COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)NO	LPW	2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{n}-oxidanyl-ethanamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCN)O	LPX	(2s)-3-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate
+CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)O	LPY	(2r)-2-hydroxy-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl tridecanoate
+Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C	LPZ	2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
+c1cc(ccc1C(=O)N)C(=O)O	LQ2	4-aminocarbonylbenzoic acid
+C1=CC(=O)N=CC1OC(F)F	LQ3	(5s)-5-(difluoromethoxy)pyridin-2(5h)-one
+COc1cc(cc(c1OC)OC)/C=C/C(=O)N2CCC=CC2=O	LQ4	piperlongumine
+CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3ccc(cc3)Oc4ccnc(n4)N	LQ5	1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
+Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN)Cc3cccs3	LQ7	n-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-n-[(thiophen-2-yl)methyl]benzamide
+c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5CCCC[C@@H]5C(=O)O)OCCO	LQ8	(1~{s},2~{r})-2-[[(1~{s})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid
+[H]/N=C\1/C(=C(C=C2N1CCc3c2cc4c(c3)OCO4)c5ccc(c(c5)OC)OC(C)C)C#N	LQA	4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile
+Cc1cc(n(n1)c2cc(ccc2[N+](=O)[O-])N3CCc4ccccc4C3)C	LQB	2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1h-isoquinoline
+Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4ccccc4OC	LQD	(3r,4s)-1-[(2-methoxyphenyl)methyl]-n,n-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
+CN1C[C@H](C[C@@H]2[C@@H]1Cc3cccc(c3C2)OC)Cc4cccc(c4)OC	LQE	(3r,4as,10as)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2h-benzo[g]quinoline
+c1ccc(cc1)CN2CCc3c(c4nncn4c(c3C#N)NCc5ccco5)C2	LQF	5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7h-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
+c1cc(oc1)CNc2c(ccc3n2cnn3)C#N	LQG	5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
+c1ccc2c(c1)C=C(N3C2=NCC3)c4ccccc4F	LQH	5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
+CC1CCN(CC1)C(=O)c2cc3ccccc3o2	LQI	(1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H]([C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N	LQJ	3'-o-[(r)-{[(2s,3as,4s,6s,6as)-6-(6-amino-9h-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2h-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine
+c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5CC[C@@H]5C(=O)N)OCCO	LQK	(1~{s},2~{r})-2-[[(1~{s})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide
+c1ccc(c(c1)C(=O)Nc2cccc(c2)c3ccc(cc3)C(F)(F)F)[SeH]	LQN	2-selanyl-~{n}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide
+C1C[C@@H]2CN(C[C@@H]2C1)C(=O)COC(F)F	LQP	2-(difluoromethoxy)-1-[(3ar,6as)-hexahydrocyclopenta[c]pyrrol-2(1h)-yl]ethan-1-one
+CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C	LQQ	6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7(8h)-one
+CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N	LQT	2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide
+Cc1ccc(nc1)NC(=O)[C@@H]2CCCO2	LQV	(2s)-n-(5-methylpyridin-2-yl)oxolane-2-carboxamide
+c1ccc(c(c1)C(=O)NCc2ccc(cc2)Cl)[SeH]	LQW	~{n}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide
+COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)N)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5	LQY	n-(2-amino-2-oxoethyl)-5'-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide
+CCN(CC)CC(=O)Nc1c(cccc1C)C	LQZ	2-(diethylamino)-n-(2,6-dimethylphenyl)ethanamide
+c1cc(ccc1CN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)Br	LR1	(1r,2s,3s,4r,5r)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol
+c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH]	LR2	~{n}-pyridin-2-yl-2-selanyl-benzamide
+c1cc(ccc1C(=O)N)C(F)(F)F	LR5	4-(trifluoromethyl)benzamide
+C#CCCCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	LR7	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r},6~{r})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
+c1cc(ncc1C(=O)N)N2CCOCC2	LR8	6-morpholin-4-ylpyridine-3-carboxamide
+CCN(C)C(=O)c1cccc(c1)N	LR9	3-amino-n-ethyl-n-methylbenzamide
+CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3	LRB	lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c9-adamantane ruthenium (ii)
+c1ccc(c(c1)/C(=C/2\C=CC(=O)C(=C2)Cl)/c3ccc(c(c3)Cl)O)S(=O)(=O)O	LRD	2-[(e)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
+Cc1c(c(sn1)N(C)CC(=O)N)C#N	LRF	n~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-n~2~-methylglycinamide
+c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c3ccccc3	LRG	(2s)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
+C[C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O	LRH	6-deoxy-beta-l-fructofuranose
+c1cc(sc1)CN(c2cc(nc(n2)N)Cl)C3CC3	LRI	6-chloro-n~4~-cyclopropyl-n~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine
+C(CCN[C@H](CO)C(=O)[C@@H](COP(=O)(O)O)O)C[C@@H](C(=O)O)N	LRK	(2s)-2-azanyl-6-[[(2r,4r)-1,4-bis(oxidanyl)-3-oxidanylidene-5-phosphonooxy-pentan-2-yl]amino]hexanoic acid
+C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N(C)C)OC)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)N(C1=O)C)OC)O)O)O	LRM	2-amino-9-[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(s)-({(2r,3r,4r,5r)-3-{[(r)-{[(2r,3r,4r,5r)-3-{[(s)-{[(2r,3r,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-3-{[(s)-hydroxy{[(2r,3r,4r,5r)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9h-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9h-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3h-purin-7-ium
+Cc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O	LRO	5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N(C)C)OC)O)O)O	LRP	2-amino-9-[(2r,3r,4s,5r)-5-({[(r)-{[(s)-{[(r)-({(2r,3r,4r,5r)-5-[6-(dimethylamino)-9h-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1h-purin-7-ium
+CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F	LRQ	bridged tetracyclic indole
+c1ccc(cc1)CCCC(=O)N2CCOCC2	LRR	1-(morpholin-4-yl)-4-phenylbutan-1-one
+Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC(=O)c5cnn6c5nccc6	LRS	n-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1h-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3	LRT	5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine
+c1cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=[N]2C=CC=C5)[N]6=CC=CC=C6C7=CC=CC=[N]37	LRU	lambda-bis(2,2'-bipyridine)imidazole ruthenium (ii)
+C[C@@H]1C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C@@]1(C3)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@H](C([C@@H](C(O6)CO)O)O)O)OC7[C@H]([C@H]([C@H]([C@@H](O7)CO)O)O)O)(CCC[C@@]4(C)C(=O)O)C	LRV	(8alpha,9beta,10alpha,13alpha)-13-{[alpha-l-allopyranosyl-(1->2)-[beta-d-mannopyranosyl-(1->3)]-beta-d-allopyranosyl]oxy}kauran-18-oic acid
+c1cc(cc(c1)C(F)(F)F)/C=C/C(=O)O	LRW	(~{e})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
+CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	LRY	n-acetylmannosamine-6-phosphate
+[H]/N=C(\NCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	LRZ	methyl 6-[3-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+CNS(=O)(=O)c1ccc(cc1)N\C=C/2\c3ccccc3NC2=O	LS1	n-methyl-4-{[(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}benzenesulfonamide
+CNS(=O)(=O)Cc1ccc(cc1)NN=C2c3c(ccc4c3scn4)NC2=O	LS2	n-methyl-{4-[2-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide
+c1cc2c(cc1c3cnco3)C(=CNc4ccc5c(c4)CS(=O)(=O)C5)C(=O)N2	LS3	3-{[(2,2-dioxido-1,3-dihydro-2-benzothien-5-yl)amino]methylene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2h-indol-2-one
+c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)/C(=O)N2	LS4	4-{[(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}-n-(1,3-thiazol-2-yl)benzenesulfonamide
+c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)NC(=N)N)/C(=O)N2	LS5	3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1h-indole
+c1ccc(cc1)CCN2CCC(CC2)/C=C/C(=O)NO	LS6	(2e)-n-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
+CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)C	LS7	n-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC1=Cc2cc(ccc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3OC)C#N	LS8	4-cyano-~{n}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide
+c1ccc2c(c1)C(=O)NS2(=O)=O	LSA	1,2-benzisothiazol-3(2h)-one 1,1-dioxide
+CC[C@H]([C@H]([C@@H](C)CC1([C@H](O1)CC[C@@]2([C@H](O2)C)CC)CC)O)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C	LSB	(4r,5s)-3-[(2r,3s,4s)-2-ethyl-5-[(3r)-2-ethyl-3-[2-[(2r,3r)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O	LSC	(4r,7r,18e)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide
+CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCc3ccc(c(c3C(=O)O)O)C)O	LSD	lasalocid a
+C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O	LSE	2-(trimethylsilyl)ethyl 4-o-beta-d-galactopyranosyl-6-se-methyl-6-seleno-beta-d-glucopyranoside
+CC(=O)c1cc(c(n1C)Nc2ccc(cc2F)I)C(=O)NOCCO	LSG	5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-1-methyl-1h-pyrrole-3-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=O)(=O)N3)COP(=O)(O)O)O	LSH	[(1r,5r,7r,8s)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate
+CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC(=O)C34C5[Ru]3678923(C5C6C74)C4C8C9C2C34)SC1)C(=O)O	LSI	ruthenocenyl-7-aminodesacetoxycephalosporanic acid
+CC/C(=C/1\c2ccccc2OCc3c1c(ccc3)OC)/c4cccc(c4)NS(=O)(=O)C	LSJ	n-{3-[(1z)-1-(10-methoxydibenzo[b,e]oxepin-11(6h)-ylidene)propyl]phenyl}methanesulfonamide
+[H]/N=C(/NCCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)\NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	LSK	methyl 6-[5-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+c1cc(ccc1CNCc2ccsc2)C(=O)NO	LSL	n-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
+CCCCCCCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LSM	dodecyl 4-o-alpha-d-glucopyranosyl-1-seleno-beta-d-glucopyranoside
+CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl	LSN	[2-butyl-5-chloranyl-3-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
+C(CC/N=C(\CCC(=O)O)/CS(=O)(=O)CC(=O)CCC(=O)O)C[C@@H](C(=O)O)N	LSO	(z)-n~6~-(3-carboxy-1-{[(4-carboxy-2-oxobutyl)sulfonyl]methyl}propylidene)-l-lysine
+CC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[NH3+])O	LSP	(7s)-4,7-dihydroxy-10-oxo-3,5,9-trioxa-4-phosphaundecan-1-aminium 4-oxide
+c1cc(cc(c1)Cl)CCC(=O)O	LSQ	3-(3-chlorophenyl)propanoic acid
+C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C	LSR	1,3,3-trimethyl-2-[(1e,3e)-3-methylpenta-1,3-dien-1-yl]cyclohexene
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	LSS	5'-o-(l-leucylsulfamoyl)adenosine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=O)(=O)N3C)COP(=O)(O)O)O	LST	[(1r,5r,7r,8s)-2-methyl-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N	LSU	5'-o-(n-(l-leucyl)-sulfamoyl)uridine
+C[C@@]1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)CO	LSV	n-[(2r)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O	LSW	n~2~-[(1s)-1-carboxy-3-phenylpropyl]-l-lysyl-l-tryptophan
+CN(C(=O)CC[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O	LSX	[(1s)-4-[hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid
+CN(C)C(=O)NNC(=O)N(C)C	LSY	n~1~,n~1~,n~2~,n~2~-tetramethylhydrazine-1,2-dicarboxamide
+CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccc(o3)CN4CCN(CC4)C)c5ccn(n5)C)C(=O)C	LSZ	~{n}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
+c1ccc(cc1)CCCCl	LT1	(3-chloropropyl)benzene
+C1[C@H](C2=CC(=O)C(=O)C=C2N1)O	LT2	(3s)-3-hydroxy-2,3-dihydro-1h-indole-5,6-dione
+c1cc2c(c(c1)C(F)(F)F)[C@H]3CC[C@@H]2[C@@H]3N	LT3	(1s,4r,9s)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine
+c1cc(c(cc1[C@H](CN)O)O)O	LT4	norepinephrine
+c1cc(cc(c1)C(F)(F)F)[C@H](CN)O	LT5	(1r)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
+CCCCN(C)C(=O)c1c(cccc1F)OCC(=O)N[C@@H](Cc2ccccc2)CO	LT6	2-(2-{[(1s)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-n-butyl-6-fluoro-n-methylbenzamide
+Cc1ccc(cc1)c2nc(on2)CNC(C)C	LT7	~{n}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
+c1ccc(c(c1)C(=O)O)n2cccn2	LT8	2-pyrazol-1-ylbenzoic acid
+CCOC(=O)C[C@@H]([C@H](CCCCN)N)O	LTA	4,8-diamino-3-hydroxy-octanoic acid ethyl ester
+CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O	LTB	leukotriene b4
+CCCCCCCC=CCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)N)O)NC(=O)C)O)COC(=O)CCCCCC	LTC	(2s)-1-({3-o-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-d-galactopyranosyl]-alpha-d-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7z)-pentadec-7-enoate
+CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N	LTD	(5~{s},6~{r},7~{e},9~{e},11~{z},14~{z})-6-[(2~{r})-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
+[H]/N=C(\NCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)/NCCC[C@@H](C=O)N	LTE	1-[3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{s})-4-azanyl-5-oxidanylidene-pentyl]guanidine
+CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)NO	LTF	(4r)-2-(3,4-dimethoxy-5-propylphenyl)-n-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
+C([C@@H]([C@H]([C@H](C(=O)CO)O)O)O)O	LTG	l-tagatose
+C([C@@H]([C@H](C(=O)O)O)O)O	LTH	(2r,3s)-2,3,4-trihydroxybutanoic acid
+c1ccc2c(c1)CCCC[C@H]2SC3=C(/C(=N/C(=O)N)/SN3)C(=O)N	LTI	(5z)-5-(carbamoylimino)-3-[(5r)-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide
+C/C=C/C(=O)N[C@H]1CCCN(C1)c2c(cc(c3c2c(c([nH]3)C)C)C(=O)N)F	LTJ	4-[(3s)-3-{[(2e)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1h-indole-7-carboxamide
+Cc1c2cc(ccc2sc1S(=O)(=O)Nc3cccc(c3)CN)Cl	LTK	~{n}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide
+CCC(=O)CCC(C)(C)O	LTL	6-hydroxy-6-methyl-heptan-3-one
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)CO)O)O	LTM	n-acetyl gluconolactam
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N	LTN	l-tryptophanamide
+c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)/C=C/C(=O)NO	LTO	(2e)-n-hydroxy-3-{1-[2-(1h-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O	LTP	4-amino-1-{2-deoxy-5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-beta-l-erythro-pentofuranosyl}pyrimidin-2(1h)-one
+Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N3CSC[C@@H]3C(=O)NO)C#N	LTQ	(4s)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-n-hydroxy-1,3-thiazolidine-4-carboxamide
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N	LTR	l-tryptophan
+c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CN/C(=N\C#N)/Nc3ccncc3)OC(F)(F)F	LTS	2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine
+C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N	LTT	4-amino-1-[(2s,4s)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2(1h)-one
+CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)O	LTV	2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate
+CC(=O)c1ccc(c(c1)NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)OCCN5CC6(C5)COC6	LTW	~{n}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
+CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	LTX	(5~{s},6~{r},7~{e},9~{e},11~{z},14~{z})-6-[(2~{r})-2-[[(4~{s})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-( 2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
+c1cc2cc(c(cc2nc1)N3CCC(CC3)CN)NC(=O)c4cnn5c4nccc5	LTY	n-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC[C@@H]1CC[C@H](N1C(=O)C2=C(N3[C@@H]([C@](N=C3S2)(C)c4ccc(cc4)Cl)c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN([C@@H](C6)C)C(=O)C	LTZ	(5r,6s)-2-[((2s,5r)-2-{[(3r)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
+[Lu+3]	LU	lutetium (iii) ion
+CC(C)C[C@@H](C(=O)O)NS(=O)(=O)N	LU0	sulphamoil leucine
+Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O	LU1	4'-fluoro-4,5-dihydroxy-n-{(2e)-3-[(2s,4r,5r)-4-hydroxy-5-(6-methyl-9h-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide
+c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O	LU2	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4h-chromen-4-one
+Cc1cc2c(cccc2NC(=O)c3cc(cc(c3)NC(=O)c4ccco4)NC(=O)C)nn1	LU5	~{n}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(=O)N)NC(=O)Cc1ccc(cc1O)O)N	LU7	n~1~-{5-[(3-{[3-(l-arginylamino)propyl]amino}propyl)amino]pentyl}-n~2~-[(2,4-dihydroxyphenyl)acetyl]-l-aspartamide
+Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCN(CC4)C	LU8	4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
+CCC[C@H]1C(=C(CO1)CO)C(=O)O	LUB	4-(hydroxymethyl)-2-propylfuran-3-carboxylic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C(N3C2=O)C(=O)NC(=N4)N	LUD	n-{4-[(6ar)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9h)-yl]benzene-1-carbonyl}-l-glutamic acid
+Cc1nc(c2n1ccc(c2)Nc3nccc(n3)c4cc(n(n4)C)CN(C)C)c5nnc(o5)C	LUE	~{n}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine
+CC1=C(C(CCC1)(C)C)CC/C(=C/CC/C(=C/CCC2=CC(=O)O[C@@H]2O)/C)/C	LUF	(5s)-4-[(3e,7e)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5h)-one
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN	LUG	n-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\OC[C@H]2C(=O)N[C@H](C(=O)N2)CON)O	LUH	[4-[(~{z})-[(2~{s},5~{s})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
+CC(C)CN1C(=C(c2cc(ccc2C1=O)OCC(=O)N)c3ccccc3)CN	LUI	2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide
+CCC[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)N)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N)N)CO	LUJ	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-d-glucopyranoside
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\OC[C@@H]2C(=O)N[C@@H](C(=O)N2)CON)O	LUK	[4-[(~{z})-[(2~{r},5~{r})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
+Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3	LUM	lumichrome
+c1ccc2c(c1)[C@@]3(CC[N@](C3)[C@@H]4CCCNC4)CN2C(=O)c5cc6cc(ccc6[nH]5)F	LUN	(5-fluoro-1h-indol-2-yl)[(3r)-1'-[(3r)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2h)-yl]methanone
+Cc1ccccc1n2c3c(cn2)C(=O)NC(=N3)N[C@@H](C)C(=O)Nc4ccc(cc4)OC	LUO	n-(4-methoxyphenyl)-n~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl]-l-alaninamide
+c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)NCCCC(F)(F)F)C4CC4	LUP	5-cyclopropyl-n-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide
+C(CS(=O)(=O)O)NCC(=O)N	LUQ	n-(2-acetamido)-2-aminoethanesulfonic acid
+Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F	LUR	{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid
+CCC1CCC(CC1)N2CCOCC2	LUS	4-(4-ethylcyclohexyl)morpholine
+CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(=C[C@@H](CC2(C)C)O)C)\C)\C	LUT	(3r,3'r,6s)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol
+c1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccccc5	LUV	(3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4- d]imidazolidin-4-yl]-n-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide
+c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc(nc3O)n4cccn4	LUW	4-oxidanyl-~{n}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide
+CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2(C)C)O)C	LUX	(3r,3'r,6's,9r,9'r,13r,13's)-4',5'-didehydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-beta,beta-carotene-3,3'-diol
+c1ccc(cc1)CCNc2[nH]c3ccccc3n2	LUY	~{n}-(2-phenylethyl)-1~{h}-benzimidazol-2-amine
+c1cnc2c(n1)C(=O)NC(=O)N2	LUZ	pteridine-2,4(1h,3h)-dione
+c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)F	LV1	1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea
+CN(C)C1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	LV2	[(2~{r},3~{s},4~{r},5~{r})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc(c(c1)NC(=S)N)OC(F)(F)F	LV4	1-[2-(trifluoromethyloxy)phenyl]thiourea
+c1cc(c(cc1N)Cl)Cl	LV5	3,4-dichloroaniline
+CC(=O)Nc1ccccc1C(=O)NN	LV7	~{n}-[2-(aminocarbamoyl)phenyl]ethanamide
+CC(=O)NC[C@@H](C(=O)O)N	LV8	(2~{s})-3-acetamido-2-azanyl-propanoic acid
+CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C	LVA	(3r,5r)-7-((1r,2r,6s,8r,8as)-2,6-dimethyl-8-{[(2r)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoic acid
+Cc1ccc(cc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])O	LVB	3-deoxytolcapone
+c1ccc(cc1)CONC(=O)N	LVD	1-phenylmethoxyurea
+Cc1ccc(cc1)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-]	LVE	3-o-methyltolcapone
+C=C[C@@H](C(=O)O)N	LVG	l-vinylglycine
+C[C@@H]1Cc2c3ccccc3[nH]c2[C@@](N1CC(C)(C)F)(C)c4c(cc(cc4F)/C=C/C(=O)O)F	LVH	(~{e})-3-[3,5-bis(fluoranyl)-4-[(1~{r},3~{r})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{h}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid
+CC(C)(C)C(=O)NCc1ccc(c(c1Cl)Nc2nc3cc(c(cc3n2C)OCC(C)(C)O)C(=O)NCC(F)(F)F)Cl	LVJ	2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-n-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide
+C[C@H](C=O)[C@@H](C(=O)O)N	LVN	(3s)-4-oxo-l-valine
+[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C(=O)O	LVO	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-methyl-9-o-octanoyl-d-glycero-d-galacto-non-2-enonic acid
+c1ccc(c(c1)NNC(=O)c2ccno2)F	LVP	~{n}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide
+C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2c6c7cc(cc6Cc8cc(cc(c8[O+]3CC(=O)O)Cc9cc(cc(c9[O+]4C1)Cc1cc(cc(c1[O+]5CC(=O)O)C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	LVQ	octa-anionic calixarene
+CC(C)C[C@@H](C=CS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(c(c(c1)I)O)[N+](=O)[O-]	LVS	4-iodo-3-nitrophenyl acetyl-leucinyl-leucinyl-leucinyl-vinylsulfone
+c1c(cc2c(c1Cc3cc(cc(c3OCC(=O)O)Cc4cc(cc(c4OCC(=O)O)Cc5cc(cc(c5OCC(=O)O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OCC(=O)O)S(=O)(=O)O	LVT	octa-anionic calix[4]arene
+Cc1ccc(cc1)CN2CCS(=O)(=O)CC2	LVV	4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
+C=CCOC[C@H](C[SeH])O	LVW	(2~{r})-1-prop-2-enoxy-3-selanyl-propan-2-ol
+c1cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O	LVY	s-lenalidomide
+CC(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O	LVZ	propan-2-yl 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranoside
+c1cc(sc1)C=O	LW1	thiophene-2-carbaldehyde
+CC(=O)[C@H]([C@@H](c1cccs1)O)O	LW2	(3s,4s)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one
+CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	LW4	3-(1h-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1h-pyrrole-2,5-dione
+C[C@@H](c1ccccc1)Oc2cc(cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O	LW5	4-acetamido-3-fluoranyl-~{n}-(4-oxidanylcyclohexyl)-5-[(1~{s})-1-phenylethoxy]benzamide
+c1ccc(cc1)CCC2=NCCc3c2cccc3	LW7	1-(2-phenylethyl)-3,4-dihydroisoquinoline
+C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)O	LW8	trimethyl-[(2s)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
+CCCCC(CC)CC	LW9	3-ethylheptane
+c1cc(ccc1C(=O)N)NC(=O)[C@@H]2CCCO2	LWA	(2~{s})-~{n}-(4-aminocarbonylphenyl)oxolane-2-carboxamide
+Cc1c(c(on1)C)c2cc3c(cc2OC[C@H]4CCNC4)c5c(cn3)nc(n5[C@H](C)c6ccccc6)COC	LWB	4-[2-(methoxymethyl)-1-[(1~{r})-1-phenylethyl]-8-[[(3~{s})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
+c1ccc(cc1)C(=O)Nc2ccc3c(c2)cccn3	LWD	~{n}-quinolin-6-ylbenzamide
+c1cc(c2c(c1Cl)c3c(s2)C(=O)NC=N3)Cl	LWG	6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3h)-one
+c1ccc2c(c1)c(nc(n2)c3cc(ccc3O)c4ccn[nH]4)N[C@H]5CCNC5	LWH	4-(1h-pyrazol-5-yl)-2-{4-[(3s)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol
+c1ccc(c(c1)C[C@@H](C(=O)O)N)CN	LWI	2-(aminomethyl)-l-phenylalanine
+Cc1[nH]c2cc(ccc2n1)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N	LWJ	[5-amino-1-(2-methyl-1h-benzimidazol-6-yl)-1h-pyrazol-4-yl](1h-indol-2-yl)methanone
+C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC2=C(C(=O)NC(=N2)N)NC=O	LWM	[(1r,2s,4r)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate
+Cn1c2c(cn1)c(nc(n2)Nc3ccc(c(c3)F)F)NCC(=O)OC	LWN	methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate
+C[n+]1cc(cc2c1cccc2)NC(=O)c3cccc(n3)C(=O)Nc4cc5ccccc5[n+](c4)C	LWQ	~{n}2,~{n}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
+CC1(c2cc(cc(c2NC1=O)F)c3cccn3C)C	LWS	7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1h-indol-2-one
+c1ccc(c(c1)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N)Cl	LWT	4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-8-sulfonamide
+c1ccc(c(c1)N)N2CCOCC2	LWV	2-morpholin-4-ylaniline
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnccc4[nH]3	LWW	n-(4-(phenylsulfonyl)benzyl)-1h-pyrrolo[3,2-c]pyridine-2-carboxamide
+C[P@](=O)(N1CCC[C@H]1C(=O)O)O	LWY	1-[(r)-hydroxy(methyl)phosphoryl]-l-proline
+c1c(nn[nH]1)CNC(=O)CC(S)S	LWZ	3,3-bis(sulfanyl)-~{n}-(1~{h}-1,2,3-triazol-4-ylmethyl)propanamide
+C[C@H](c1ccc2ccccc2c1)Nc3nc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N	LX0	4-(4-amino-6-{[(1r)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-l-phenylalanine
+C[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O	LX1	l-xylulose 5-phosphate
+c1ccc(cc1)C(C[N@](CCCOc2cccc3c2ccn3CC(=O)O)Cc4cccc(c4Cl)C(F)(F)F)c5ccccc5	LX2	[4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1h-indol-1-yl]acetic acid
+CCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	LX3	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol
+C1CCC(C1)C(=O)N2CCNC(=O)C2	LX4	4-cyclopentylcarbonylpiperazin-2-one
+C1[C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)CO)O)O	LX5	[(1~{s},2~{s},3~{s},4~{s})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate
+c1cc(ccc1NC(=S)N)OC(F)(F)F	LX7	1-[4-(trifluoromethyloxy)phenyl]thiourea
+CC(=O)OC(C)(C)[C@@H]1Cc2cc3c(cc2O1)OC(=O)C(=C3)C(C)(C)C=C	LX8	2-[(2s)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7h-furo[3,2-g]chromen-2-yl]propan-2-yl acetate
+c1cc(cc(c1)n2cc(c(n2)N)c3ccc4c(c3)CCNC4=O)c5ccc6cc[nH]c6c5	LX9	6-{3-amino-1-[3-(1h-indol-6-yl)phenyl]-1h-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2h)-one
+COCC(=O)NCc1[nH]c2ccccc2n1	LXA	~{n}-(1~{h}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide
+CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1O)CO)O)O	LXB	2-acetamido-2-deoxy-beta-d-gulopyranose
+C1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O	LXC	beta-l-xylopyranose
+C1[C@@H]([C@H]([C@@H]([C@H]1O)O)CO)[NH3+]	LXE	[(1~{s},2~{s},3~{s},4~{s})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium
+CN(C)CC1=Nc2c3cc(ccc3sc2C(=O)N1)/C=C/C4CC4	LXG	8-[(e)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3h)-one
+C[C@@H](c1ccccc1)C(=O)OC	LXH	methyl (2~{s})-2-phenylpropanoate
+c1ccc(cc1)C(=O)N2CC[C@H]3[C@@H](CNC3=O)C=C2	LXJ	(3~{a}~{s},8~{a}~{s})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one
+CCC[C@@H](c1cccnc1)Nc2c(cnc(n2)c3ccc(c(c3)OC)NC(=O)NCC)C	LXL	1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1s)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea
+c1ccc(cc1)C(=O)N2C[C@H]([C@H]3[C@@H]2c4ccccc4O3)CO	LXM	[(3~{s},3~{a}~{s},8~{b}~{s})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone
+C1(=O)C(=O)NC(=O)NC1=O	LXN	alloxan
+C([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O	LXP	l-xylitol 5-phosphate
+CC(=O)N1CC[C@H](C1)C(=O)O	LXQ	(3~{r})-1-ethanoylpyrrolidine-3-carboxylic acid
+CCN1C(=O)CN(C1=O)[C@@H]2[C@@H]3c4ccccc4[C@H]([C@H]2O)O3	LXS	3-ethyl-1-[(1~{r},8~{s},9~{s},10~{s})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione
+Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCc3ccccc3)NC(=O)[C@H](CCc4ccccc4)N	LXT	(2s)-2-amino-n-[(1s)-1-({(1s)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)-3-phenylpropyl]-4-phenylbutanamide
+[H]/N=C\N1C[C@@H](C[C@@H]1C)NS(=O)(=O)c2cc(ccc2Br)Br	LXV	2,5-dibromo-n-{(3r,5s)-1-[(z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4ccncc4)N	LXW	(2~{s})-1-[(2~{r})-2-azanyl-3,3-diphenyl-propanoyl]-~{n}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
+c1cc2c(cc1c3cc4cn[nH]c4nc3)c(ccn2)c5ccncc5	LXX	6-(1h-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
+C[C@H]1[C@@H](C[C@H](N1S(=O)(=O)c2ccc(cc2)F)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C(F)(F)F)F	LXY	(4r,5s)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-n-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-l-prolinamide
+CC(=O)N[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1O)CO)O)O	LXZ	2-acetamido-2-deoxy-alpha-d-idopyranose
+C[C@@H](C[P@](=O)([C@H](C)N)O)C(=O)O	LY0	(2r)-3-[(r)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+c1cc(c(c2c1CCCNC2)Cl)Cl	LY1	8,9-dichloro-2,3,4,5-tetrahydro-1h-benzo[c]azepine
+c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4	LY2	2-morpholin-4-yl-7-phenyl-4h-chromen-4-one
+c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCc4n[nH]nn4)C(=O)O	LY3	2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-(2h-tetrazol-5-yl)-butyric acid
+CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	LY4	(9r)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9h,18h-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadia zacyclohexadecine-18,20-dione
+C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)O	LY5	(3s,4ar,6s,8ar)-6-{[(2s)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid
+C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N	LY7	n-[(2s)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide
+C[C@H](c1ccccc1)C(=O)OC	LY8	methyl (2~{r})-2-phenylpropanoate
+[C@@H](C([C@H](C(=O)O)O)O)(C(=O)O)O	LY9	l-arabinaric acid
+c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	LYA	2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid
+c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	LYB	2-{4-[4-(4-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-carboxy-butyrylamin o)-4-carboxy-butyrylamino}-pentanedioic acid
+CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C)C	LYC	lycopene
+CC(C)[C@@H](C(=O)O)NC(=O)c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N	LYD	2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-3-methyl-butyric acid
+c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O	LYE	bromophenol blue
+C(CC/N=C(\C[C@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N	LYF	(2e,4s)-2-{[(5s)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
+c1cc2c(cc1Cl)c3c(s2)C(=O)NC(=N3)C[N@@]4CC[C@@H](C4)O	LYG	8-chloro-2-{[(3s)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3h)-one
+C(CN)/C=C/[C@@H](C(=O)O)N	LYH	3,4 ene-lysine
+C(CCN)C[C@@H](CO)N	LYJ	(2s)-2,6-diaminohexan-1-ol
+C(CCN)C[C@@H](C(O)O)N	LYK	(2s)-2,6-diaminohexane-1,1-diol
+Cc1cccc(c1O)CC=C	LYL	2-allyl-6-methyl-phenol
+CC(=O)[C@H](CCCCN)N	LYM	deoxy-methyl-lysine
+C(CC[NH3+])C[C@@H](C(=O)N)N	LYN	2,6-diamino-hexanoic acid amide
+C(CN)C(C[C@@H](C(=O)O)N)O	LYO	4-hydroxy-lysine
+CCCN(C)CCCCC(C(=O)O)N	LYP	n~6~-methyl-n~6~-propyl-l-lysine
+c1cc(c(cc1O)Cl)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N	LYQ	(3~{a}~{r},4~{s},9~{b}~{s})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{h}-cyclopenta[c]quinoline-8-sulfonamide
+CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C\C(=C\CNCCCC[C@@H](C(=O)O)N)\C)/C	LYR	n~6~-[(2z,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenyl]lysine
+C(CC[NH3+])C[C@@H](C(=O)O)N	LYS	lysine
+C(CC[NH3+])C[C@@H](C(=O)[O-])[NH-]	LYS_LEO2	l-lysine c-terminal deprotonated fragment
+C(CC[NH3+])C[C@@H](C(=O)O)[NH-]	LYS_LEO2H	l-lysine c-terminal protonated fragment
+C(CCN)C[C@@H](C(=O)O)[NH-]	LYS_LEO2H_DHZ3	l-lysine-c-terminal protonated fragment/with side chain deprotonated nz
+C(CCN)C[C@@H](C(=O)[O-])[NH-]	LYS_LEO2_DHZ3	l-lysine-c-terminal deprotonated fragment/with side chain deprotonated nz
+C(CC[NH3+])C[C@@H](C(=O)O)N	LYS_LFOH	l-lysine free neutral
+C(CCN)C[C@@H](C(=O)O)N	LYS_LFOH_DHZ3	l-lysine-free neutral/with side chain deprotonated nz
+C(CC[NH3+])C[C@@H](C(=O)[O-])[NH3+]	LYS_LFZW	l-lysine free zwitterion
+C(CCN)C[C@@H](C(=O)[O-])[NH3+]	LYS_LFZW_DHZ3	l-lysine-free zwitterion/with side chain deprotonated nz
+C(CC[NH3+])C[C@@H]([C-]=O)[NH-]	LYS_LL	l-lysine - linking embedded fragment
+C(CCN)C[C@@H]([C-]=O)[NH-]	LYS_LL_DHZ3	l-lysine-linking embedded fragment/with side chain deprotonated nz
+C(CC[NH3+])C[C@@H]([C-]=O)[NH3+]	LYS_LSN3	l-lysine n-terminal protonated fragment
+C(CCN)C[C@@H]([C-]=O)[NH3+]	LYS_LSN3_DHZ3	l-lysine-n-terminal protonated fragment/with side chain deprotonated nz
+CCCCN	LYT	butylamine
+CC(C)CCCNCCCC[C@@H](C(=O)O)N	LYU	n~6~-(4-methylpentyl)-l-lysine
+C(CNC(=O)CNC(=O)[C@H](COP(=O)(O)O)N)[C@@H](C(=O)O)N	LYV	o-phosphono-l-seryl-n-[(3s)-3-amino-3-carboxypropyl]glycinamide
+CCCC[C@@H](C=O)N	LYW	1-amino-1-carbonyl pentane
+C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	LYX	n''-(2-coenzyme a)-propanoyl-lysine
+C(C[C@@H](C(=O)O)N)[C@H](CN)O	LYZ	5-hydroxylysine
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCc2cnnn2CC=O)O)O)O	LZ0	[1-(2-oxoethyl)-1h-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-l-galactopyranoside
+c1ccc2c(c1)cn[nH]2	LZ1	1h-indazole
+c1cc2c(cccc2S(=O)(=O)N)c(c1)O	LZ2	5-hydroxynaphthalene-1-sulfonamide
+c1ccc2c(c1)c(n[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)N	LZ3	n-(4-sulfamoylphenyl)-1h-indazole-3-carboxamide
+c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N	LZ4	4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
+c1ccc(cc1)NC(=O)c2cc[nH]n2	LZ5	n-phenyl-1h-pyrazole-3-carboxamide
+c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl	LZ6	l-gamma-glutamyl-s-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-l-cysteinylglycine
+CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(cc2)F	LZ7	4-(acetylamino)-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide
+c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F	LZ8	n-(4-fluorophenyl)-4-[(phenylcarbonyl)amino]-1h-pyrazole-3-carboxamide
+c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F	LZ9	{[(2,6-difluorophenyl)carbonyl]amino}-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide
+c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)F	LZA	{[(2,6-difluorophenyl)carbonyl]amino}-n-piperidin-4-yl-1h-pyrazole-3-carboxamide
+CC(C)Nc1cc(nc2n1ncc2C#N)Cl	LZB	5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CC(C)Nc1cc(nc2n1ncc2C#N)NC3CCC(CC3)N	LZC	5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)N[C@H]3CCCNC3)F	LZD	4-{[(2,6-difluorophenyl)carbonyl]amino}-n-[(3s)-piperidin-3-yl]-1h-pyrazole-3-carboxamide
+c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl	LZE	4-{[(2,6-dichlorophenyl)carbonyl]amino}-n-piperidin-4-yl-1h-pyrazole-3-carboxamide
+CO[C@H]1C[N@](C[C@@H]1NC(=O)c2ccc(s2)Cl)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O	LZF	5-chloro-n-[(3s,4s)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)F)NC(=O)c4ccc(s4)Cl	LZG	5-chloro-thiophene-2-carboxylic acid ((3s,4s)-4-fluoro- 1-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenylcarbamoyl]-methyl}-pyrrolidin-3-yl)-amide
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3CO)NC(=O)c4ccc(s4)Cl	LZH	5-chloro-thiophene-2-carboxylic acid ((3r,5s)-1-{[2-fluoro-4-(2-oxo-pyridin-1-yl)-phenylcarbamoyl]-methyl}-5-hydroxymethyl-pyrrolidin-3-yl)-amide
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3C(=O)NCC4CC4)NC(=O)c5ccc(s5)Cl	LZI	(4r)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-n-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-l-prolinamide
+c1cc(c(c(c1)Br)c2cc3cnc(nc3nc2N)N)Br	LZJ	6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
+COc1cccc(c1c2cc3cnc(nc3nc2N)N)OC	LZK	6-(2,6-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
+c1ccc(cc1)c2cc3cnc(nc3nc2N4CC=CC4)N	LZL	7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine
+c1cnc2c(cnn2c1)C#N	LZM	pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1ccc(cc1)COc2cccc(c2)C(=O)CC(=O)C(=O)N3CCN(CC3)C(=O)C(=O)CC(=O)c4cccc(c4)OCc5ccccc5	LZP	4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}
+c1ccc(cc1)CN(Cc2ccccc2)c3cccc(c3)C(=O)CC(=O)C(=O)O	LZQ	4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid
+COc1cc2c(cc1OCC3C=C3)C(=O)NC(=N2)N4CCC5=C(C4)C=CN(C5=O)CC6CC6	LZR	6-(cycloprop-2-en-1-ylmethoxy)-2-[6-(cyclopropylmethyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]-7-methoxyquinazolin-4(3h)-one
+CC(C)CN1C=CC2=C(C1=O)CCN(C2)c3nc4cc(c(cc4c(n3)NS(=O)(=O)CC(F)(F)F)OCC5CC5)OC	LZS	n-{6-(cyclopropylmethoxy)-7-methoxy-2-[6-(2-methylpropyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]quinazolin-4-yl}-2,2,2-trifluoroethanesulfonamide
+Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)C[C@@H]3CC(=O)c4c3cc(cc4)OC	LZT	n~2~-{[(1s)-6-methoxy-3-oxo-2,3-dihydro-1h-inden-1-yl]acetyl}-n-{(1s)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}-l-threoninamide
+CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC	LZU	10-{2-[(2s)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10h-phenothiazine
+CCOC(=O)[C@@H]1CN2C(=O)CCN2C13CCCC3	LZV	ethyl (6~{r})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate
+c1cc(ccc1[C@H]2C3=C(CCC3)c4cc(ccc4N2)S(=O)(=O)N)O	LZW	(4~{s})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{h}-cyclopenta[c]quinoline-8-sulfonamide
+CN1Cc2cc(ccc2NCCC1=O)F	LZY	8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one
+CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O	LZZ	(3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one
+CC[C@@H](CO)NC(=O)CCC1=Nc2ccccc2C(=O)N1	M00	n-[(2s)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
+c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)CN	M01	1-[1-(9h-purin-6-yl)piperidin-4-yl]methanamine
+c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)N	M02	1-(9h-purin-6-yl)piperidin-4-amine
+c1cc(ccc1C2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl	M03	1-[4-(4-chlorophenyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
+c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl	M04	1-[4-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
+c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+])Cl	M05	4-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium
+CC1=C(C(=O)N(C=C1)Cc2c3cccnc3n[nH]2)Oc4cc(cc(c4)Cl)C#N	M06	3-chloro-5-{[4-methyl-2-oxo-1-(2h-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile
+COc1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	M07	(5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-methoxyphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol
+c1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	M08	(5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol
+c1cc(ccc1C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2)[N+](=O)[O-]	M09	(3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
+CCCCc1nc2c(n1Cc3cccc(c3)CN)c4ccccc4nc2N	M0A	1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
+Cc1c(c(nn1c2c(cc(cn2)C3CC3)F)OC(C)C)Oc4c(cccc4F)F	M0B	2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine
+c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H](C3)N(C[C@@H]4O)CC(=O)N	M0D	2-[(2r,5r,6s)-5-hydroxy-1,2,4,5,6,7-hexahydro-3h-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O	M0E	moenomycin
+C([C@@H](C(=O)O)N)SCO	M0H	s-(hydroxymethyl)-l-cysteine
+C[C@@H](CNC(=O)Nc1ccccc1)O	M0J	n-[(2s)-2-hydroxypropyl]-n'-phenylurea
+c1cc(c(cc1F)OCC(=O)O)C(=O)NCC2CC2	M0K	2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid
+CN1C2=C(C(=S)N(C1=O)C)N[C@@H](N2)SCCN3CCOCC3	M0M	(8s)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2h-purin-2-one
+c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O	M0N	(1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid)
+CN1c2c([nH]c(n2)SCCN3CCOCC3)C(=O)N(C1=O)C	M0P	1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1h-purine-2,6-dione
+CNc1ccnc2c1cncc2	M0Q	~{n}-methyl-1,6-naphthyridin-4-amine
+CN1c2c(nc([nH]2)SCCN3CCCC3)C(=S)N(C1=O)C	M0S	1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2h-purin-2-one
+CC[C@H](c1ccccc1)NC(=O)c2ccc3c(c2)nc(n3Cc4ccc(c(c4)Cl)Cl)C	M0T	1-(3,4-dichlorobenzyl)-2-methyl-n-[(1r)-1-phenylpropyl]-1h-benzimidazole-5-carboxamide
+CN1c2c(n(cn2)C[C@H](CN3CCOCC3)O)C(=O)N(C1=O)C	M0V	7-[(2s)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+CNc1c2ccccc2ncn1	M0W	~{n}-methylquinazolin-4-amine
+c1ccc2c(c1)cccc2n3cc(c(n3)C(=O)N)NC(=O)N	M0Y	4-(carbamoylamino)-1-(naphthalen-1-yl)-1h-pyrazole-3-carboxamide
+COc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N	M0Z	4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide
+[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-]	M10	(mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (vi)
+CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N	M11	n^6^-[(1r,2s)-1-({[(1r)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-l-lysine
+CC(C)CCCCCCCCC(=O)O	M12	10-methylundecanoic acid
+c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)COc2cc(cc(c2)Cl)Oc3cc(cc(c3)Cl)C#N	M14	2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-n-(2-chloro-4-sulfamoylphenyl)acetamide
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)I	M15	{5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
+Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N	M16	7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
+CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O	M17	methyl {(2s)-1-[2-(biphenyl-4-ylmethyl)-2-{(4r)-4-hydroxy-5-{[(2s)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
+CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1COC(=O)Cc2cccc(c2)Cl	M18	{(2s)-1-[n-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate
+C[n+]1cnc2c(c1N)nc[nH]2	M1A	6-amino-1-methylpurine
+[H]/N=C(\c1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)/C(=N\[H])/N)/N	M1B	2-{3'-[amino(imino)methyl]biphenyl-4-yl}-1h-benzimidazole-5-carboximidamide
+CCCC[C@@H](C(CNC1CC1)(O)O)N	M1C	(3s)-3-amino-1-(cyclopropylamino)heptane-2,2-diol
+CN1c2c(n(cn2)CCCC(=O)O)C(=O)N(C1=O)C	M1D	4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)butanoic acid
+CNc1c2c(ccs2)ncn1	M1E	~{n}-methylthieno[3,2-d]pyrimidin-4-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)O)CO)O)O)O)O	M1F	alpha-maltose 1-phosphate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N=CC=CN4C2=O	M1G	3-(2-deoxy-beta-d-ribofuranosyl)-pyrido[5,6-a]-purine-10-one-5'-monophosphate
+CNc1ccnc2c1CCCC2	M1H	~{n}-methyl-5,6,7,8-tetrahydroquinolin-4-amine
+C[C@H]1COCCN1c2nc(nc(n2)N3CCOCC3)c4cnc(cc4C(F)F)N	M1J	4-(difluoromethyl)-5-{4-[(3s)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine
+CN1CCc2c(cc\3c(c2C1)NC(=O)/C3=N/O[C@@H](CCO)C(=O)O)c4ccc(cc4)S(N(C)C)(O)O	M1L	2-({[(3e)-5-{4-[(dimethylamino)(dihydroxy)-lambda~4~-sulfanyl]phenyl}-8-methyl-2-oxo-6,7,8,9-tetrahydro-1h-pyrrolo[3,2-h]isoquinolin-3(2h)-ylidene]amino}oxy)-4-hydroxybutanoic acid
+CS(=O)(=O)SCSS(=O)(=O)C	M1M	1,1-methanediyl bismethanethiosulfonate
+B([C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2c1cccc2)NC(=O)N3CCOCC3)(O)O	M1N	(1r)-3-methyl-1-{[n-(morpholin-4-ylcarbonyl)-3-(1-naphthyl)-d-alanyl]amino}butylboronic acid
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O	M1P	1-o-phosphono-alpha-d-mannopyranose
+C1CCC2=NC(=O)NC(=O)C2C1	M1Q	5,6,7,8-tetrahydro-4~{a}~{h}-quinazoline-2,4-dione
+CCC(=O)N1CCN(CC1)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6	M1R	1-{4-[2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
+c1c(c2c(c(c1O)Cl)CC(=O)CCCCC\C=C\CCOC2=O)O	M1S	(5e)-14-chloro-15,17-dihydroxy-4,7,8,9,10,11-hexahydro-2-benzoxacyclopentadecine-1,12(3h,13h)-dione
+COCC(=O)CCCC(O)O	M1T	6,6-dihydroxy-1-methoxyhexan-2-one
+CCC1=C(/C(=C/C2=N/C(=C\c3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)CC)C)CCC(=O)O)/C(=C2C)CCC(=O)O)/NC1=O)C	M1V	mesobiliverdin ix(alpha)
+COCCCNC(=O)c1nc(no1)c2cccc3c2cc[nH]3	M1W	3-(1h-indol-4-yl)-n-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide
+C[C@@H](C(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F	M1X	{(2s)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2s)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile
+CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O	M1Y	(1s)-1,4-anhydro-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-o-phosphono-d-xylitol
+C1CCN(C1)C2=NC(=O)NC(=O)C2	M1Z	6-pyrrolidin-1-yl-5~{h}-pyrimidine-2,4-dione
+C\C=C/C=C/CCCCCCCCCO	M21	(10e,12z)-tetradeca-10,12-dien-1-ol
+c1ccc2c(c1)c(n[nH]2)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl	M22	3-chloro-5-[2-chloro-5-(1h-indazol-3-ylmethoxy)phenoxy]benzonitrile
+CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)Br	M23	7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine
+c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)F	M24	5'-o-[(r)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine
+CC(=O)NCCc1ccc(cc1)S(=O)(=O)N	M25	n-{2-[4-(aminosulfonyl)phenyl]ethyl}acetamide
+[O-][Mo]1(O[Mo](O1)([O-])([O-])([O-])[O-])([O-])([O-])[O-]	M27	bis(mu2-oxo)-octaoxo-dimolybdenum (vi)
+c1cc(ccc1CCC(=O)O)S(=O)(=O)N	M28	3-[4-(aminosulfonyl)phenyl]propanoic acid
+CCOC(=O)CCc1ccc(cc1)S(=O)(=O)N	M29	ethyl 3-[4-(aminosulfonyl)phenyl]propanoate
+CNc1ccccc1C(=O)O[C@@H]2[C@@H]([C@@H](O[C@H]2n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O)O	M2A	[(2~{r},3~{r},4~{r},5~{s})-2-(6-aminopurin-9-yl)-4-oxidanyl-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
+c1ccc(cc1)n2c(c(cn2)C(=O)N)N	M2B	5-amino-1-phenylpyrazole-4-carboxamide
+CSCC[C@@H](C(c1ccccn1)(O)O)N	M2C	(2s)-2-amino-4-(methylsulfanyl)-1-pyridin-2-ylbutane-1,1-diol
+C[C@@H]1/C=C/C(=O)NC/C=C\C(=C\[C@H](C[C@@H](Cc2nc(co2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)C)O)O)\C	M2D	madumycin ii
+c1cc(ccc1C(=O)N2CCC[C@@H](C2)O)Cl	M2E	(4-chlorophenyl)-[(3~{s})-3-oxidanylpiperidin-1-yl]methanone
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F	M2F	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-mannopyranoside
+CN(C)C1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1	M2G	n2-dimethylguanosine-5'-monophosphate
+Cc1cc([nH]c1C#N)C	M2H	3,5-dimethyl-1~{h}-pyrrole-2-carbonitrile
+C1CCc2c(c([nH]n2)C(=O)O)C1	M2K	4,5,6,7-tetrahydro-2~{h}-indazole-3-carboxylic acid
+CN(C)CCSC[C@@H](C(=O)O)N	M2L	(2r)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid
+COCCOCCOC	M2M	1-methoxy-2-(2-methoxyethoxy)ethane
+c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N	M2N	5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O	M2P	d-mannitol-1,6-diphosphate
+CC(C)(C[S@](=O)C)[C@@H](C(=O)O)N	M2S	3-{[(r)-methylsulfinyl]methyl}-l-valine
+CS(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	M2T	5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine
+Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O	M2V	[(1r)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
+C[C@@H]([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)OC	M2W	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-o-methyl-d-threonine
+Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4ccccc4)P(=O)(O)O	M2Y	[(1s)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
+Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)N4CCNCC4	M2Z	1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
+C1CCC(CC1)NCC(=O)O	M30	n-cyclohexylglycine
+c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CN)Cl	M31	n-(benzylsulfonyl)glycyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	M32	n-(benzylsulfonyl)-d-alanyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+C[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	M33	5'-o-[(s)-hydroxy{[(s)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine
+CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	M34	n-(benzylsulfonyl)-d-leucyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)CN)C(F)(F)F	M35	1-[3-(aminomethyl)phenyl]-n-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
+CC(=CCc1c2c(cc(c1OC)OCCCCCCC(=O)O)Oc3cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C	M36	7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid
+c1ccc(c(c1)CN)n2c(cc(n2)C(F)(F)F)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)N	M37	1-[2-(aminomethyl)phenyl]-n-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
+c1ccc2c(c1)C3=C(c4ccccc4C3=O)N(C2=O)CCCC(=O)O	M38	4-(5,11-dioxo-5h-indeno[1,2-c]isoquinolin-6(11h)-yl)butanoate
+Cc1ccccc1N2C(=O)c3c[nH]nc3N=C2SCc4cccc(c4)F	M39	6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)C#N)N	M3A	5-amino-3-[(4-cyanophenyl)amino]-n-phenyl-1h-1,2,4-triazole-1-carboxamide
+COCCN[C@@H](N)NCCCCN	M3B	(1~{s})-~{n}'-(4-azanylbutyl)-~{n}"-(2-methoxyethyl)methanetriamine
+CSCC[C@@H](C(c1nccs1)(O)O)N	M3C	(2s)-2-amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-yl)butane-1,1-diol
+c1ccc2c(c1)C=C(c3ccc(cc3O2)c4ccc(c(c4)C#N)O)C(=O)NCCN5CCOCC5	M3D	7-(3-cyano-4-hydroxyphenyl)-n-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide
+c1ccc(cc1)C2=CC(=O)NC(=O)N2	M3E	6-phenyl-1~{h}-pyrimidine-2,4-dione
+Cc1cc(nc2c1-c3ccccc3C(=O)N2)C(F)(F)F	M3F	1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5h)-one
+c1ccc(cc1)C2=NCCN2	M3H	2-phenyl-4,5-dihydro-1~{h}-imidazole
+Cc1cc(no1)N	M3I	5-methyl-1,2-oxazol-3-amine
+c1ccc(cc1)Nc2nc3ccc(cc3c(n2)N)Br	M3J	6-bromo-n~2~-phenylquinazoline-2,4-diamine
+c1cc(c(cc1I)F)Nc2cc(cc(c2C(=O)N)OCC[C@H](CO)O)F	M3K	2-([3r-3,4-dihydroxybutyl]oxy)-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide
+C[N+](C)(C)CCCC[C@@H](C(=O)O)N	M3L	n-trimethyllysine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	M3M	3-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose
+c1c(nnn1[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	M3N	4-(hydroxymethyl)-1-(alpha-d-mannopyranosyl)-1h-1,2,3-triazole
+CSCC[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O	M3O	3'-o-(n-formyl-l-methionyl)adenosine 5'-(dihydrogen phosphate)
+CC(=O)\C=C\C=C(/C(=O)O)\O	M3P	(2e,4e)-2-hydroxy-6-oxohepta-2,4-dienoic acid
+c1cc2cccnc2c(c1)CP(=O)(O)O	M3Q	[(quinolin-8-yl)methyl]phosphonic acid
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N[P@@](=O)(C)O	M3R	methyl phosphonated l-arginine
+Cc1cccc(c1OC(=O)C)C(=O)O	M3S	2-(acetyloxy)-3-methylbenzoic acid
+Cc1cccc(c1)S	M3T	3-methylbenzenethiol
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)C#N)/C(=O)N1CC(=O)O)N)O	M3V	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C	M3W	8-methyl-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
+c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N	M3Y	5-amino-n-phenyl-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carboxamide
+CN(Cc1ccccc1)CC2=NC(=O)NC(=O)C2	M3Z	6-[[methyl-(phenylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione
+c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(O)S(=O)(=O)O	M40	(1r,2s)-2-({n-[(benzyloxy)carbonyl]-3-cyclohexyl-l-alanyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	M41	n-(benzylsulfonyl)-d-valyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+CC1=CC(=O)Nc2c1ccc3c2OCO3	M42	6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one
+C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C1=[N]7[C@H](C5)[C@H]([C@@H]1C[C@@H](C9=O)SC)CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O	M43	(17[2]s)-17[2]-methylthio-coenzyme f43
+CC(C)NP(=O)(NC(C)C)O	M44	n,n'-bis(1-methylethyl)phosphorodiamidic acid
+c1nc([nH]n1)N[C@H]2CCCN2	M45	~{n}-[(2~{s})-pyrrolidin-2-yl]-1~{h}-1,2,4-triazol-5-amine
+c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N	M46	7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine
+c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N	M48	7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine
+CC(=O)NCC[C@@H]1c2cc(ccc2NC1=O)NC(=O)C	M49	n-{(3r)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1h-indol-5-yl}acetamide
+Cc1cc(c2ccccc2n1)N	M4A	2-methylquinolin-4-amine
+CC1=C(C(=NC(=O)N1)c2ccccc2)[N+](=O)[O-]	M4B	6-methyl-5-nitro-4-phenyl-1~{h}-pyrimidin-2-one
+CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	M4C	n-methyl-2'-o-methylcytidine 5'-(dihydrogen phosphate)
+CCCCCc1cc2c(cccc2nc1N)CCCCN	M4D	5-(4-azanylbutyl)-3-pentyl-quinolin-2-amine
+CNC(=O)c1c2ccccc2[nH]n1	M4E	~{n}-methyl-2~{h}-indazole-3-carboxamide
+c1cc(ccc1NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)OCC(=O)O	M4G	[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid
+c1cc2ccn(c2nc1)C3(CCCC3)CN4C=C(C(=O)C(=C4)O)C(=O)O	M4H	5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
+c1ccc2c(c1)ccc3c2ccc(c3)c4cc(nn4c5ccc(cc5)NC(=O)CN)C(F)(F)F	M4J	n-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}glycinamide
+c1ccc(cc1)CN(CC2=NC(=O)NC(=O)C2)C3CC3	M4K	6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(cc4)S(=O)(=O)N	M4M	1-amino-9,10-dioxo-4-[(4-sulfamoylphenyl)amino]-9,10-dihydroanthracene-2-sulfonic acid
+CNC(=O)c1cc(n[nH]1)c2ccccc2	M4N	~{n}-methyl-3-phenyl-1~{h}-pyrazole-5-carboxamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OC/C=C(/C)\CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)N)O)O)O	M4O	(2r)-3-{[(s)-{[(2r,3r,4r,5s,6s)-3-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-5-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-5-{[(2r,3r,4s,5r,6s)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-4-hydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)tetrahydro-2h-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2h-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-{[(2z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}propanoic acid
+c1cc(ccc1C#N)Nc2nc(n(n2)C(=O)Nc3ccc(cc3)OCC(=O)O)N	M4P	[4-({5-amino-3-[(4-cyanophenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid
+CN(Cc1ccsc1)CC2=NC(=O)NC(=O)C2	M4Q	6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione
+Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N	M4R	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2r)-2-(methylamino)propyl]benzonitrile
+COc1ccc(cc1)S(=O)(=O)N	M4S	4-methoxybenzenesulfonamide
+CC(=O)Nc1cccnc1	M4T	~{n}-pyridin-3-ylethanamide
+c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N	M4V	2-amino-6-(4-bromophenyl)-5-phenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	M4Y	parthenolide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NCC)\N	M4Z	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide
+Cc1cc(n(n1)c2ccccc2)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5	M51	{(2s,4s)-4-[4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone
+C[N@@](CC(=O)Nc1ccc(cc1)OC)S(=O)(=O)c2cc(cnc2N)Br	M52	n~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-n-(4-methoxyphenyl)-n~2~-methylglycinamide
+c1cc(cc(c1)O)C2=CNC(=O)c3c2cc(c4c3cc(cc4)c5c[nH]nc5)CCCN	M54	6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1h-pyrazol-4-yl)benzo[h]isoquinolin-1(2h)-one
+c1ccc(cc1)COC(=O)[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O	M55	benzyl alpha-d-glucopyranuronate
+c1cc(ccc1c2nc(co2)C(=O)O)NC(=O)n3c(nc(n3)Nc4ccc(cc4)S(=O)(=O)N)N	M57	2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid
+c1cc(cnc1)[C@H](N)S	M58	(~{r})-azanyl(pyridin-3-yl)methanethiol
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@]4(CC[C@H]3C4)CO)N	M59	[(1s,3s,4s)-3-(6-amino-9h-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol
+C[C@@H](c1ccc(cc1)C(=O)c2cccs2)C(=O)O	M5A	(2s)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
+c1cc(sc1)S(=O)(=O)Nc2[nH]ccn2	M5B	~{n}-(1~{h}-imidazol-2-yl)thiophene-2-sulfonamide
+COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)OCCN)O	M5C	dimethyl(1s,2s,4s,5s)-4-(2-aminoethoxy)-5-hydroxycyclohexane-1,2-dicarboxylate
+C[C@@H]1C[C@H]1C(=O)N2CCN(C[C@H]2C)c3cnc(c(n3)c4cnn(c4)C)C#N	M5D	5-{(3r)-3-methyl-4-[(1r,2r)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1h-pyrazol-4-yl)pyrazine-2-carbonitrile
+c1ccc(cc1)[C@@H]([C@@H]2CCCN2)O	M5E	(~{s})-phenyl-[(2~{s})-pyrrolidin-2-yl]methanol
+C1=C(C(=O)NC(=O)N1C[C@H](CN)N)F	M5F	1-[(2s)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)c([nH]n2)C3NCCN3	M5H	3-imidazolidin-2-yl-2~{h}-indazole
+CC(C)(C)C(=O)N1CCC[C@H]1c2cccc(c2)F	M5J	1-[(2s)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
+Cc1cc(nc2c1cccc2)N	M5K	4-methylquinolin-2-amine
+CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	M5M	2'-(n-acetamide)-cytidine-5'-monophosphate
+CC(C)C1=NC(=O)N=C2C1CCCC2	M5N	4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{h}-quinazolin-2-one
+c1ccc(cc1)CCC[C@H](CS)C(=O)O	M5P	(s)-2-(mercaptomethyl)-5-phenylpentanoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	M5T	5-methyluridine triphosphate
+c1cc(cc(c1)Cl)N2C[C@@H]3C[C@H]2CN3c4c(cnc(n4)c5cccnc5)C#N	M5V	4-[(1s,4s)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile
+CC(C)(C)n1c(c(c(n1)c2cccc(c2)OC)C(=O)N)N	M5W	5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide
+c1cc(c(cc1F)F)CN	M5Y	1-(2,4-difluorophenyl)methanamine
+c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CN)O)O)N)O)O)N)N)N)O	M5Z	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-o-[(1r)-3-phenylpropylidene]-alpha-d-glucopyranoside
+CC(C)[C@@H](C(=O)NN(CC(=O)O)C(=O)C[C@@H](C(=O)NCCc1ccccc1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)OCc2ccccc2	M60	(4s)-5-[[(2s)-1-[2-(carboxymethyl)-2-[(3s)-3-hydroxy-4-oxo-4-(phenethylamino)butanoyl]hydrazinyl]-3-methyl-1-oxo-butan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
+CN(C[C@@H]1COCCO1)S(=O)(=O)Nc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6	M61	n-[(2r)-1,4-dioxan-2-ylmethyl]-n-methyl-n'-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide
+c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N	M62	7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine
+C[C@H]1CCCCN1C(=O)C[C@@H](C(=O)O)N	M64	(2s)-2-amino-4-[(2s)-2-methylpiperidin-1-yl]-4-oxobutanoic acid
+CCOC(=O)CCCCCCn1ccnc1	M65	ethyl 7-imidazol-1-ylheptanoate
+CCC[C@@H](C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C3Cc4ccccc4C3)NC(=O)N[C@H](CN5CCCCC5=O)C(C)(C)C	M66	(1r,2s,5s)-3-{(2s)-2-(2,3-dihydro-1h-inden-2-yl)-2-[({(1s)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-n-{(1s)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NCCC)\N	M67	(2s)-n-(4-carbamimidoylbenzyl)-1-[(2r)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]azetidine-2-carboxamide
+c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N	M68	7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine
+[H]/N=C(\NCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6A	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[n'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate
+[H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6B	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	M6D	6-o-phosphono-beta-d-mannopyranose
+[H]/N=C(/NCCCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC	M6E	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[n'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate 
+[H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@@H]([C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)O)C)O)C)(C)O)OCC#C)C)/NC(=O)NC	M6F	(3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate
+[H]/N=C(\NCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6G	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[n'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate
+c1ccc(cc1)CC2NCCN2	M6H	2-(phenylmethyl)imidazolidine
+c1ccc(cc1)[C@H]2CCCN2C(=O)C[C@@H](C(=O)O)N	M6J	(2s)-2-amino-4-oxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butanoic acid
+Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)C(=O)NCc3ccc(cc3F)F	M6M	n-{(2s)-1-({(2s)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2s)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
+CC1=Nc2cnccc2C(=O)N1	M6N	2-methyl-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CCCCCCCCCCCC(=O)NC12CO34[Al]5678O9[Mo]33(O[Mo]44(O5[Mo]5(O4)(O6(C1)[Mo]1(O5)(O7[Mo]4(O1)(O8(C2)[Mo]9(O4)(O3)([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O]	M6O	lauric acid functionalized hexamolybdoaluminate
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O	M6P	6-o-phosphono-alpha-d-mannopyranose
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccnc(c3)N)N	M6Q	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O	M6R	5-amino-5-deoxy-1-o-phosphono-d-mannitol
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NC)\N	M6S	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide
+Cc1c(c(nc(n1)C)N)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@](=O)(O)[O-]	M6T	6'-methyl-thiamin diphosphate
+[H]/N=C(/NCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC	M6V	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[n'-(methylcarbamoyl)carbamimidamido]butyl}carbamate
+CNC(=O)[C@H]1CCNC1	M6W	(3~{s})-~{n}-methylpyrrolidine-3-carboxamide
+Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c3ccccc3)C(=O)N[C@@H](C)C(=O)NCc4ccc(cc4F)F	M6Y	n-{(2s)-1-({(2s)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
+CNC(=O)c1c2cc(ccc2[nH]n1)I	M6Z	5-iodanyl-~{n}-methyl-1~{h}-indazole-3-carboxamide
+CO[C@H](c1ccccc1)[C@H](C(=O)O)O	M72	(2r,3r)-2-hydroxy-3-methoxy-3-phenylpropanoic acid
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@H](C)C(=O)OC)O)S(=O)(=O)c2ccc(cc2)OC	M73	methyl (2s)-3-({[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamoyl}oxy)-2-methylpropanoate
+c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)O	M74	(2s,3r)-2,3-dihydroxy-3-phenylpropanoic acid
+c1c(nc[nH]1)S(=O)(=O)NC2CC2	M75	~{n}-cyclopropyl-1~{h}-imidazole-4-sulfonamide
+c1ccc2c(c1)C(=C(N(C2=O)O)O)C(=O)NCc3ccc(cc3)F	M76	n-(4-fluorobenzyl)-2,3-dihydroxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3	M77	5-(1,4-diazepan-1-sulfonyl)isoquinoline
+Cc1c([nH]c2c1cc(cc2)C(=O)NC)C	M78	~{n},2,3-trimethyl-1~{h}-indole-5-carboxamide
+CN1CN(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	M7A	7-methyl, adenosine-5'-monophosphate
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O)OP(=O)(O)O	M7B	7-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+c1ccc(cc1)C(=O)/N=C\2/NC(=O)[C@]3(S2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	M7C	n-[(2z,5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide
+C[C@]1(Cn2cccc2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N	M7D	n-{3-[(3r)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)C	M7E	1-alpha-hydroxy-27-nor-25-o-carbonyl-vitamin d3
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O	M7G	7n-methyl-8-hydroguanosine-5'-diphosphate
+CC(=O)N1CCC(CC1)c2cc3c(n2C)ncc(n3)c4ccc(cc4)OC	M7H	1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone
+c1cc(cc(c1)F)CNCCc2ccc3ccc(nc3c2)N	M7K	7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine
+CN1CN(C2=C1C(=O)N=C(N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O	M7M	n,n,7-trimethylguanosine 5'-(trihydrogen diphosphate)
+CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3	M7N	~{n}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide
+c1ccc(cc1)CNC(=O)Nc2ccccc2C(=O)O	M7O	2-[(phenylmethyl)carbamoylamino]benzoic acid
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O	M7P	7-o-phosphono-d-glycero-alpha-d-manno-heptopyranose
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@@H](Cc6ccccc6)C(=O)O	M7R	(2r)-2-benzyl-3-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](Cc6ccccc6)C(=O)O	M7S	(2s)-2-benzyl-3-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid
+c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc(cc3)CN4CCCC4	M7T	~{n}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O	M7U	(2r)-2-(hexadecanoyloxy)-3-{[(10r)-10-methyloctadecanoyl]oxy}propyl phosphate
+CCCC[C@@]1(C[C@H]1[C@@H](C(=O)O)N)C(=O)O	M7V	(1s,2r)-2-[(s)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid
+CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)NCc3ccc(nc3)OC	M7W	4-(4-ethanoylphenyl)-~{n}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide
+CC1(CN(C(=O)N1c2ccccc2/C=C/C(=O)NO)C3CCCC3)C	M7Y	(2e)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-n-hydroxyprop-2-enamide
+c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)Cl	M7Z	4-chloranyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide
+c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CCC(=O)O)NC(=O)OCc3ccccc3	M80	3-[4-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)phenyl]propanoic acid
+c1ccc(c(c1)Cn2c(cc(n2)C(=O)O)C(=O)O)Cl	M81	1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
+c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)I	M82	4-iodanyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide
+c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N	M83	5-(3-cyanophenyl)furan-2-carboxylic acid
+c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O	M84	3-{4-[(phenylcarbonyl)amino]phenyl}propanoic acid
+CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N	M85	7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OCCN2CCNC2=O)O)S(=O)(=O)c3ccc(cc3)OC	M86	2-(2-oxoimidazolidin-1-yl)ethyl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
+c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N	M87	7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine
+CCCCCCC/C=C\CCCCCCC(=O)OC[C@H](CO)O	M88	1-(8z-hexadecenoyl)-rac-glycerol
+c1ccc(cc1)COC(=O)N2CCC[C@@H]2C(=O)Nc3ccc(cc3)CCC=O	M8A	benzyl (2r)-2-{[4-(3-oxopropyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate
+CC(C)(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	M8B	methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3z,8s,11r)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	M8C	methyl alpha-d-galactopyranuronate
+CCCCCc1cc2c(cccc2nc1N)Cc3cccc(c3)CN	M8D	5-[[3-(aminomethyl)phenyl]methyl]-3-pentyl-quinolin-2-amine
+C[N@@](CCCCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2c(nc3c2ncnc3N)C=C)O)O	M8E	5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine
+CSCC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	M8F	n-[(5s)-5-amino-5-carboxypentanoyl]-l-cysteinyl-d-methionine
+c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccccc3/C=C/C(=O)NO	M8G	n-{2-[(1e)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide
+c1cc(ccc1NC(=O)CN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N	M8J	2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-n-(4-sulfamoylphenyl)acetamide
+c1cc(ccc1C#N)C(=O)Nc2ccc3c(c2)nc([nH]3)CN4CCCCC4	M8K	4-cyano-~{n}-[2-(piperidin-1-ylmethyl)-1~{h}-benzimidazol-5-yl]benzamide
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCON)O)O)N	M8M	5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine
+Cc1cc(ccc1NCNO)CCC(C)C	M8N	~{n}-[[[2-methyl-4-(3-methylbutyl)phenyl]amino]methyl]hydroxylamine
+C(C(=O)CC(=O)O)C(=O)C=CC(=O)O	M8O	4-maleylacetoacetic acid
+c1ccc2cc(ccc2c1)C(=O)/N=C\3/NC(=O)[C@]4(S3)[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	M8P	n-[(2z,5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]naphthalene-2-carboxamide
+CS(=O)(=O)NCc1cccc(c1)c2cccc(c2)C(=O)O	M8Q	3-[3-(methylsulfonylaminomethyl)phenyl]benzoic acid
+c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O)S(=O)(=O)N	M8S	2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-n-(4-sulfamoylphenyl)acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6ncnc7N)O)F)N	M8T	2'-fluoro-,3',3'-c-di-amp
+c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)S(=O)(=O)N	M8V	2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-n-(4-sulfamoylphenyl)acetamide
+CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	M8Y	methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3z,8s,11r)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+CC(C)(C#N)c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(C)(C)C#N	M8Z	2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide
+CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](COc2ccncc2)O)NC(=O)[C@H](Cc3ccccc3)OC(=O)N4CCC(CC4)N	M90	(2s)-1-{[(2r)-1-{[(2s,3r)-1-cyclohexyl-3-hydroxy-4-(pyridin-4-yloxy)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate
+CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](CN2C=CC=CC2=O)O)NC(=O)[C@H](Cc3ccccc3)OC(=O)N4CCC(CC4)N	M91	(2s)-1-{[(2r)-1-{[(2s,3s)-1-cyclohexyl-3-hydroxy-4-(2-oxopyridin-1(2h)-yl)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate
+CC(C)c1cc(cc(n1)C(C)C)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N	M92	2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide
+CNCCc1cccc(c1)OCc2ccc3ccc(nc3c2)N	M94	7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
+c1ccc(cc1)C[C@@H](CO)NC(=O)/C=C/C2=NC(=O)c3ccccc3N2	M95	(2e)-n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide
+C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1O)O)O)O)CO	M96	(1~{s},2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)C4=C[n+]5cccc6c5c4ccc6	M97	1-[(3r,4r)-4-(1h-indol-3-yl)-2,5-dioxopyrrolidin-3-yl]pyrrolo[3,2,1-ij]quinolinium
+c1cc(c[n+](c1)[O-])C[C@@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O	M98	(s)-3-(2-(3-cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)ethy l)pyridine 1-oxide
+c1cc(c[n+](c1)[O-])C[C@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O	M99	(r)-3-(2-(3-cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)ethyl)pyridine 1-oxide
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc4c3ccc(c4)C#N)F	M9A	5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	M9B	1-alpha-hydroxy-vitamin d3
+C[C@@H](c1[nH]c(cn1)c2ccccc2F)N	M9D	(1s)-1-[5-(2-fluorophenyl)-1h-imidazol-2-yl]ethan-1-amine
+CNCC(=O)NCc1ccc(cc1)CNC(=O)CNC	M9E	2-(methylamino)-~{n}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide
+CC([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)SC	M9F	(2s)-2-amino-6-[[(2r)-1-[[(2s)-1-hydroxy-3-methylsulfanyl-1-oxo-butan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid
+Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c3ccccc3)C(=O)N[C@@H](C)c4[nH]c(cn4)c5ccccc5F	M9G	n-{(2s)-1-({(1s)-1-[5-(2-fluorophenyl)-1h-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide
+CNCC(=O)NCc1cccc(c1)CNC(=O)CNC	M9H	2-(methylamino)-~{n}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide
+c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC7CCC7	M9J	n-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2s)-pyrrolidin-2-yl]methyl}-1h-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine
+c1nc2c(c(sc2c(n1)SCC(=O)O)Cl)C3CC3	M9K	2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid
+Cc1cc(no1)CN2c3ccc(cc3OCC2=O)CCCCC4CCN(CC4)C	M9M	4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2h-1,4-benzoxazin-3(4h)-one
+Cc1c(c2c(s1)NCN[C@H]2SCC(=O)O)Cl	M9N	2-[[(4~{s})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid
+C(C[C@@H]([C@@H](C(F)(F)F)O)N)CNC(=[NH2+])N	M9P	amino{[(4s,5s)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium
+CCOC(=O)/C=C\C1(CC1)[C@@H](/C=C/[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C)O	M9Q	ethyl (~{z})-3-[1-[(~{e},1~{r},4~{r})-4-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[(2~{z})-2-[(3~{s},5~{r})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate
+c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6	M9S	5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2s)-pyrrolidin-2-yl]methyl}-1h-indole
+Cc1cc(ccc1Nc2ncc3c(n2)N(C(=O)N3C)C4CCC(CC4)O)OC	M9T	2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one
+C[C@](Cn1cc[n+](n1)C)([C@H](C(=O)O)N/C=C/C=O)S(O)O	M9W	enmetazobactam derived trans-enamine adduct.
+c1cc2c(ccn2CCC3CCNCC3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC(F)(F)F	M9Y	3-(2-{1-[2-(piperidin-4-yl)ethyl]-1h-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-n-(2,2,2-trifluoroethyl)prop-2-yn-1-amine
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)NCCCn3cc(nn3)CN)S(=O)(=O)c4ccccc4	M9Z	~{n}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide
+C[C@@H](C(=O)OC)N	MA	methyl l-alaninate
+C/[N+](=C\C=C)/[C@@H]1CCc2c1cc(cc2)O	MA0	(1r)-6-hydroxy-n-methyl-n-[(1z)-prop-2-en-1-ylidene]indan-1-aminium
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)S)O	MA1	1,4-dithio-alpha-d-glucopyranose
+CS[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO	MA2	4-s-methyl-4-thio-alpha-d-glucopyranose
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O	MA3	methyl 4-thio-alpha-d-glucopyranoside
+C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	MA4	cyclohexyl-hexyl-beta-d-maltoside
+C1CCC(CC1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	MA5	2-(6-(2-cyclohexylethoxy)-tetrahydro-4,5-dihydroxy-2(hydroxymethyl)-2h-pyran-3-yloxy)-tetrahydro-6(hydroxymethyl)-2h-py ran-3,4,5-triol
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	MA6	6n-dimethyladenosine-5'-monophoshate
+C[n+]1cnc2c(c1N)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	MA7	1n-methyladenosine-5'-monophosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@@H]([C@H]2O)O)O)O)O)NC(=O)[C@H](CS)N)O)O)O	MA8	(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl 2-(l-cysteinylamino)-2-deoxy-alpha-d-glucopyranoside
+CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3CC[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F	MA9	(3r,4r)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine
+C[C@@H](C(=O)O)NC	MAA	n-methyl-l-alanine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)O)CO)O)O)O)O	MAB	mannobiose
+CC(=O)O[Hg+]	MAC	mercury acetate ion
+[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C	MAD	6-hydro-1-methyladenosine-5'-monophosphate
+C(=C/C(=O)O)/C(=O)O	MAE	maleic acid
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)F)O)O)O	MAF	2-deoxy-2-fluoro-alpha-d-mannopyranose
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O	MAG	methyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
+CC(CC(=O)O)(CC(=O)O)O	MAH	3-hydroxy-3-methyl-glutaric acid
+C[C@H]([C@H](CCCNC(=N)N)N)O	MAI	deoxo-methylarginine
+c1cc2c(cc1S(=O)(=O)N)CCC2	MAJ	indane-5-sulfonamide
+C(=O)(C(=O)O)C(=O)O	MAK	alpha-ketomalonic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	MAL	maltose
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MAM	1-o-methyl-alpha-d-mannose
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O	MAN	alpha-d-mannopyranose
+C[N@@](CCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	MAO	5'-deoxy-5'-[n-methyl-n-(2-aminooxyethyl) amino]adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[Mg])O[P@](=O)(NP(=O)(O)O)O)O)O)N	MAP	magnesium-5'-adenyly-imido-triphosphate
+Cc1cccc2c1NC(=NC2=O)N	MAQ	2-amino-8-methylquinazolin-4(3h)-one
+C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2N)O[C@H]3C[C@@](Cc4c3c(c5c(c4O)C(=O)c6cccc(c6C5=O)OC)O)(C(=O)C)O)C)O)O	MAR	4'-epi-4'-(2-deoxyfucose)daunomycin
+CN(C)S(=O)(=O)O	MAS	dimethylsulfamic acid
+CC(C)N[C@H]1CO[C@H](C[C@@H]1OC)O	MAT	2,4-dideoxy-3-o-methyl-4-(propan-2-ylamino)-alpha-l-threo-pentopyranose
+CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O	MAU	n-methyl kirromycin
+[C@@H]1([C@@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O	MAV	alpha-d-mannopyranuronic acid
+C1=C(O[C@H]([C@H]([C@H]1O)O)O)C(=O)O	MAW	4-deoxy-alpha-l-erythro-hex-4-enopyranuronic acid
+COc1cc(ccc1O)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O	MAX	matairesinol
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC[P@](=O)(OC)F	MAY	methyl arachidonyl fluorophosphonate
+c1cc(cc(c1)N)COC=O	MAZ	formic acid 3-amino-benzyl ester
+Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C	MB0	(4r)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
+c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N)Cl	MB1	2-chloro-5-nitrobenzenesulfonamide
+c1cc(ccc1F)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N	MB2	5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
+CN1CCCC1=O	MB3	1-methylpyrrolidin-2-one
+Cc1ccccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N	MB4	5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
+CC1(c2c(c3ccc(cc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	MB5	(5as,12as,13as)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+c1cc(ccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N)Cl	MB6	5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
+Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N	MB7	5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
+C/C=C(/C)\C(=O)O	MB8	(2z)-2-methylbut-2-enoic acid
+Cn1c2cc(ccc2c3c1C(=O)NC4([C@@H]3C#N)CCNCC4)Cl	MB9	(4r)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
+CC[C@H](C)CN	MBA	2-methylbutylamine
+Cc1cc(ccc1c2[nH]c3ccc(cc3n2)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C)N(C)C	MBB	2'-(3-methyl-4-dimethylaminophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+[H]/N=C(\c1ccc(cc1)c2ccc(o2)c3[nH]c4ccc(cc4n3)/C(=N\[H])/N)/N	MBC	2-(5-{4-[amino(imino)methyl]phenyl}-2-furyl)-1h-benzimidazole-5-carboximidamide
+Cc1cccc(c1O)O	MBD	3-methylcatechol
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	MBE	4-nitrophenyl beta-d-mannopyranoside
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)F)O)O)O	MBF	2-deoxy-2-fluoro-beta-d-mannopyranose
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	MBG	methyl beta-d-galactopyranoside
+C[N@@+](Cc1ccccc1)(CC(=O)O)N	MBH	(1r)-1-benzyl-1-(carboxymethyl)-1-methyldiazanium
+CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)NCCCCN)S(=O)(=O)c3ccccc3	MBK	~{n}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide
+CCCCCn1cc(nc1N)c2ccccc2	MBL	1-pentyl-4-phenyl-imidazol-2-amine
+Cc1cc2cc(ccc2o1)/N=C(\N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)/NC(=O)c5cccnc5	MBM	n-{n'-(2-methyl-1-benzofuran-5-yl)-n-[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide
+Cc1ccccc1	MBN	toluene
+c1cc(ccc1C(=O)O)[Hg]	MBO	mercuribenzoic acid
+CC(C)C(=O)COc1c2c(nc[nH]2)nc(n1)N	MBP	1-[(2-amino-6,9-dihydro-1h-purin-6-yl)oxy]-3-methyl-2-butanol
+Cc1ccc(cc1)OC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N	MBQ	2-hydroxy-5-({1-[(4-methylphenoxy)methyl]-3-oxoprop-1-enyl}amino)-l-tyrosine
+C(Br)(Br)Br	MBR	tribromomethane
+COCC#CC[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC	MBS	r-2-{[4'-methoxy-(1,1'-biphenyl)-4-yl]-sulfonyl}-amino-6-methoxy-hex-4-ynoic acid
+CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C	MBT	3,7-bis(dimethylamino)phenothiazin-5-ium
+CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)CC)CCC(=O)O)C)C)CCC(=O)O)C	MBV	mesobiliverdin iv alpha
+Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CCOCC5	MBW	7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
+C[C@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C=C)C#N)CC(OC3)(C)C	MBX	~{n}-[4-[2-[[5-cyano-8-[(2~{s},6~{s})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide
+c1c(c2c(s1)c(ncn2)O)CN3C[C@@H]([C@@H]([C@H]3CO)O)O	MBY	(2r,3r,4s)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol
+Cc1cccc2c1ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	MBZ	1-[2-deoxyribofuranosyl]-4-methyl-benzoimidazole-5'-monophosphate
+CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H]([C@@H]3O)N)COC(=O)N)N	MC	1,2-cis-1-hydroxy-2,7-diamino-mitosene
+C[C@@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MC0	(s)-methylmalonyl-coenzyme a
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H](C(=O)[O-])N)NC(=O)c2c(cccc2OC)OC)C(=O)[O-])C	MC1	methicillin acyl-serine
+[H]/N=C(\N)/NCCC[C@@H](C(=O)Nc1ccc2ccccc2c1)NC(=O)[C@H](Cc3ccccc3)N	MC2	n2-(l-phenylalanyl)-n1-(naphthalenyl)-l-arigninamide
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	MC3	1,2-dimyristoyl-rac-glycero-3-phosphocholine
+C/C(=C(\[O-])/SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)C	MC4	2-methylacetoacetyl coa
+c1ccc(c(c1)COc2ccc3cc(ccc3c2)C[C@H]4C(=O)NC(=O)S4)F	MC5	(5s)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](C/N=C\2/N[S@@](OO2)(N3C(=O)N(C(=N3)c4cc(c(cn4)O)O)C[C@H](CO)O)O)C=O	MC8	2-({[(1z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(1s)-2-{[(3r,5z)-3-{4-[(2r)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}-3-hydroxy-1,2,3lambda~4~,4-dioxathiazolidin-5-ylidene]amino}-1-formylethyl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid
+C[C@H](\C=C\[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C	MC9	calcipotriol
+C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MCA	methylmalonyl-coenzyme a
+CC=O	MCB	methylene carbonyl group
+C[C@@H](C(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O	MCD	methylmalonyl(carbadethia)-coenzyme a
+CCCl	MCE	chloroethyl group
+CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=CNC[C@H]3O)O)O	MCF	(8r)-3-(5-s-methyl-5-thio-beta-d-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
+C[C@](c1ccc(cc1)C(=O)O)(C(=O)O)N	MCG	(s)-(alpha)-methyl-4-carboxyphenylglycine
+C(Cl)(Cl)Cl	MCH	trichloromethane
+c1ccc(cc1)CC[C@H](CS)C(=O)N=C(c2ccc(s2)Cn3cnnn3)C(=O)O	MCI	(2-mercaptomethyl-4-phenyl-butyrylimino)-(5-tetrazol-1-ylmethyl-thiophen-2-yl)-acetic acid
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)OC[C@H](C(=O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O	MCJ	n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2s)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({n-[(2,3-dihydroxyphenyl)carbonyl]-l-seryl}oxy)propanoyl]-d-serine
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@H](CO)N)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O	MCK	n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2s)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(l-seryloxy)propanoyl]-l-serine
+C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	MCL	nz-(1-carboxyethyl)-lysine
+CC1=CC(=O)Oc2c1ccc(c2)N	MCM	7-amino-4-methyl-chromen-2-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O	MCN	pterin cytosine dinucleotide
+C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O	MCO	1-(3-mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic acid
+C[C@@H]1CCN[C@H](C1)C(=O)O	MCP	2-carboxy-4-methylpiperidine
+CSCCC(C1=NC(C(=O)N1CC(=O)O)[C@H](c2ccc(cc2)O)SCCO)N	MCQ	{(4s)-2-[(1r)-1-amino-3-(methylsulfanyl)propyl]-4-[(s)-[(2-hydroxyethyl)sulfanyl](4-hydroxyphenyl)methyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C(C(=O)O)S	MCR	sulfanylacetic acid
+C([C@@H](C(=O)O)N)SC(=O)CC(=O)O	MCS	malonyl cysteine
+Cc1ccc(c(c1)O)O	MCT	4-methylcatechol
+CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)OC)O)O)O	MCU	methyl 4-o-methyl-beta-d-glucopyranuronate
+COc1ccc(c(c1)CCc2csc3c2c(nc(n3)N)N)OC	MCV	5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
+COC1=CC(=O)C=CC1=O	MCW	2-methoxycyclohexa-2,5-diene-1,4-dione
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)C)C(=O)N[C@@H](CC4CCC4)[C@H](C(=O)N)O)C	MCX	(1r,2s,5s)-n-[(2s,3r)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-n-[(1-methylcyclohexyl)c arbamoyl]-l-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O	MCY	5-methyl-2'-deoxycytidine
+C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OCCC(C)(C)O	MCZ	(1s,3r,5z,7e,14beta,17alpha,20s)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol
+C[C@H](CCN)[C@H](C(=O)O)N	MD0	5-amino-d-isoleucine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C(\[C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N	MD1	phosphoric acid 4-(2-amino-4-oxo-3,4,5,6,-tetrahydro-pteridin-6-yl)-2-hydroxy-3,4-dimercapto-but-3-en-yl ester guanylate ester
+C=C=CCNCCCCNCC=C=C	MD2	n,n'-bis(2,3-butadienyl)-1,4-butane-diamine
+c1ccc2cc(ccc2c1)CSC[C@@H](C(=O)O)NC(=O)C(=O)O	MD3	n-(carboxycarbonyl)-s-(naphthalen-2-ylmethyl)-l-cysteine
+C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)c4ccncc4)C	MD4	(3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1h-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane
+c1cc(cc(c1)[N+](=O)[O-])CSC[C@@H](C(=O)O)NC(=O)C(=O)O	MD5	n-(carboxycarbonyl)-s-(3-nitrobenzyl)-l-cysteine
+c1cc(c(nc1)C(=O)NCC(=O)O)O	MD6	n-[(3-hydroxypyridin-2-yl)carbonyl]glycine
+c1ccc(cc1)c2ccc(cc2)NC(=O)/C(=C(/C3CC3)\O)/C#N	MD7	(2z)-n-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)O)N	MD8	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mg]36[N]7=C(C=C8N6C(=C5)C(=C8)C)C(=CC7=C2)C)C)CCC(=O)O	MD9	magnesium deuteroporphyrin ix
+C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O	MDA	2,6-dideoxy-3-c-methyl-beta-d-ribo-hexopyranose
+CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2ccccc2OC	MDB	(s)-n-(cyclopentylmethyl)-n-(2-(hydroxyamino)-2-oxoethyl)-2-(3-(2-methoxyphenyl)ureido)-3,3-dimethylbutanamide
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)NC=CN3C(=O)CCC3=O	MDC	n-[2-(1-maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide
+C(C=O)C=O	MDD	malonaldehyde
+CCCCC[C@@H](C\C=C\C(=O)SCCNC(=O)CCNC(C(=O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]2c[nH]c3c2ncnc3N)O)OP(=O)(O)O)O)SCC=O	MDE	5-mercaptoethanol-2-decenoyl-coenzyme a
+COC(=O)[C@H](c1cc(cc(c1)O)O)N	MDF	meta, meta'-di-hydroxy-phenylalanine
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O	MDG	7n-methyl-8-hydroguanosine-5'-diphosphate
+C\C=C(\C(=O)O)/NC	MDH	n-methyldehydrobutyrine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=C(C2=O)CO)N)COP(=O)(O)O)O	MDJ	4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1h)-one
+CC1=C(C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N	MDK	4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3-methylpyridin-2(1h)-one
+CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)C(C(F)(F)F)(F)F	MDL	[dehydroxy-n-methyl-tyrosyl-prolinyl]-[4,4,5,5,5-pentafluoro-3-oxy-1-[3-indolyl]-pent-2-yl]amine
+C(P(=O)(O)O)P(=O)(O)O	MDN	methylenediphosphonic acid
+C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N	MDO	{2-[(1s)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N(C)C(=O)O	MDP	n-carboxyl-n-methyl-beta-muramic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=[N+](C2=O)C[O-])N)COP(=O)(O)O)O	MDQ	2'-deoxy-3-(oxidomethyl)cytidine 5'-(dihydrogen phosphate)
+Cc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O	MDR	9-(2-deoxy-beta-d-ribofuranosyl)-6-methylpurine
+CSCC[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)O)N	MDS	n-[methionyl]-n'-[adenosyl]-diaminosulfone
+CC1=CN(C(=O)N(C1=O)CO)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MDU	3-(hydroxymethyl)thymidine 5'-(dihydrogen phosphate)
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CN4C2=N[C@H]([C@@H]4O)O	MDV	(7s,8s)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7,8-dihydro-3h-imidazo[2,1-i]purine-7,8-diol
+COc1ccc(cc1)S(=O)(=O)[N@]2CCc3cc(c(cc3[C@@H]2C(=O)NO)OC)O	MDW	(1r)-n,6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
+C(CCCCCS)CCCCC(=O)O	MDX	11-mercaptoundecanoic acid
+C/C(=C(\C#N)/C(=O)Nc1ccc(cc1Cl)c2ccccc2OC)/O	MDY	(2z)-n-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide
+CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N	MDZ	n~6~-methyl-6-oxo-l-lysine - 2-[(3-mercaptobutanoyl)oxy]-3-methylbutanoic acid
+C(CSCO)[C@@H](C(=O)O)N	ME0	hydroxy-l-methionine
+c1cc(ccc1C(=O)NCCNC(=O)c2ccc(s2)Cl)N3C=CC=CC3=O	ME1	5-chloro-n-(2-(4-(2-oxopyridin-1(2h)-yl)benzamido)ethyl)thiophene-2-carboxamide
+CCOCCOCCOC	ME2	1-ethoxy-2-(2-methoxyethoxy)ethane
+CCOC(=O)C12[C@@H]3[Ru]1456([C@@H]3[C@H]4[C@H]52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)NC2=O)C=CC=[N]61)O)[CH]#O	ME3	ruthenium-pyridocarbazole-3
+c1cc(ccc1C(=O)N[C@H]2CCCC[C@H]2NC(=O)c3ccc4c(c3)[nH]cc4Cl)N5C=CC=CC5=O	ME4	3-chloro-n-((1r,2s) -2-(4-(2-oxopyridin-1(2h)-yl)benzamido)cyclohexyl)-1h-indole-6-carboxamide
+c1cc(ccc1C(=O)N[C@H]2CCC[C@H]2NC(=O)c3ccc(s3)Cl)N4C=CC=CC4=O	ME5	5-chloro-n-((1r,2s)-2-(4-(2-oxopyridin-1(2h)-yl)benzamido) cyclopentyl)thiophene-2-carboxamide
+C[N+]1=C(C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N	ME6	[(2r,3s,5r)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
+C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O	ME7	1,1'-ethane-1,2-diylbis(1h-pyrrole-2,5-dione)
+CSCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	ME8	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-azanyl-4-methylsulfanyl-butanoate
+C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O	ME9	1,1'-butane-1,4-diylbis(1h-pyrrole-2,5-dione)
+CN[C@@H](Cc1ccccc1)C(=O)O	MEA	n-methylphenylalanine
+CC(=C)C	MEB	2-methylprop-1-ene
+CCNC(=O)OC	MEC	ethyl-carbamic acid methyl ester
+CSCC[C@H](C(=O)O)N	MED	d-methionine
+CS	MEE	methanethiol
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2)C(=O)NC(=N4)N	MEF	n-({4-[(6ar)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9h)-yl]phenyl}carbonyl)-l-glutamic acid
+C[C@@H](CC(=O)O)[C@@H](C(=O)O)N	MEG	(2s,3s)-2-azanyl-3-methyl-pentanedioic acid
+C[C@@H](CCCC(C)(C)OC)C\C=C\C(=C\C(=O)O)\C	MEI	(2e,4e)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid
+C[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	MEJ	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-phenylethyl]propanamide
+c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)COCCO)C(=O)NOCCO	MEK	3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide
+c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)N	MEL	[((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid
+C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O	MEM	(4r,5s,6s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
+CNC(=O)C[C@@H](C(=O)O)N	MEN	n-methyl asparagine
+O.O	MEO	oxygens bound to met sd
+C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O	MEP	phosphoric acid mono-[4-methoxy-3-methyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester
+CNC(=O)CC[C@@H](C(=O)O)N	MEQ	n5-methylglutamine
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O	MER	(4r,5s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1h-pyrrole-2-carboxylic acid
+C1COCC[NH+]1CCS(=O)(=O)[O-]	MES	2-(n-morpholino)-ethanesulfonic acid
+CSCC[C@@H](C(=O)O)N	MET	methionine
+CSCC[C@@H](C(=O)[O-])[NH-]	MET_LEO2	l-methionine c-terminal deprotonated fragment
+CSCC[C@@H](C(=O)O)[NH-]	MET_LEO2H	l-methionine c-terminal protonated fragment
+CSCC[C@@H](C(=O)O)N	MET_LFOH	l-methionine free neutral
+CSCC[C@@H](C(=O)[O-])[NH3+]	MET_LFZW	l-methionine free zwitterion
+CSCC[C@@H]([C-]=O)[NH-]	MET_LL	l-methionine - linking embedded fragment
+CSCC[C@@H]([C-]=O)[NH3+]	MET_LSN3	l-methionine n-terminal protonated fragment
+COC(=O)CN	MEU	o-methyl-glycine
+C[C@@](CCO)(CC(=O)[O-])O	MEV	(r)-mevalonate
+CC1=Nc2ccccc2C(=O)N1	MEW	2-methylquinazolin-4(3h)-one
+c1ccc2c(c1)NC(=O)N2c3ccc(cc3O)O	MEX	1-(2,4-dihydroxyphenyl)-1,3-dihydro-2h-benzimidazol-2-one
+c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl	MEY	n-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide
+C/C(=C\C(=O)O)/C(=O)O	MEZ	(2e)-2-methylbut-2-enedioic acid
+CCCCCCCCCCCCCCCCCCO[C@H](c1cccc2c1cccc2)P(=O)(O)O	MF1	[(s)-(naphthalen-1-yl)(octadecyloxy)methyl]phosphonic acid
+C[C@@H]1CN(C[C@@H](O1)C)CCCCCCCCNC=O	MF2	cis-2,6-dimethylmorpholinooctylcarbamyleseroline
+C(CSC(F)(F)F)[C@@H](C(=O)O)N	MF3	2-amino-4-trifluoromethylsulfanyl-butyric acid
+F[Mg-2](F)(F)F	MF4	tetrafluoromagnesate(2-)
+C[n+]1ccccc1/C=N/OCc2c(c(c(c(c2F)F)F)F)F	MF5	1-(1-methylpyridin-1-ium-2-yl)-n-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine
+CN(C=O)c1c(nc(nc1O)N)N[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MF7	n-{2-amino-5-[formyl(methyl)amino]-6-hydroxypyrimidin-4-yl}-2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosylamine
+[H]/N=C(/N)\N/C(=N\[H])/N(C)C	MF8	metformin
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O	MFA	alpha-l-1-methyl-fucose
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O	MFB	methyl beta-l-fucopyranoside
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)F)O)/C(=O)N1CC(=O)O)N)O	MFC	5-[1-(3-fluoro-4-hydroxy-phenyl)-meth-(z)-ylidene]-3,5-dihydro-imidazol-4-one
+C[C@H](\C=C(/C)\C=C\[C@@H]([C@H](C)C(=O)O)N)[C@@H](Cc1ccccc1)OC	MFD	(2s,3s,8s,9s)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
+c1ccc2c(c1)c(ncn2)NCc3ccc(cc3)Cl	MFE	~{n}-[(4-chlorophenyl)methyl]quinazolin-4-amine
+[H]/N=C/C(=C)CCc1ccc(cc1)F	MFG	(1z)-4-(4-fluorophenyl)-2-methylidenebutan-1-imine
+c1cc(ccc1C[C@@H](CNC(=O)O)N)O	MFH	[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid
+CCC/C=C\CC/C=C\C=C\CO[C@@H](c1cccc2c1cccc2)P(=O)(O)O	MFJ	[(r)-{[(2e,4z,8z)-dodeca-2,4,8-trien-1-yl]oxy}(naphthalen-1-yl)methyl]phosphonic acid
+CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MFK	decanoyl-coa
+c1cc(ccc1c2ccc(o2)/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O)Cl	MFM	(e)-3-(5((5-(4-chlorophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
+c1cc(ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O	MFN	n-[4,5,7-tricarboxyheptanoyl]-l-gamma-glutamyl-n-{2-[4-({5-[(formylamino)methyl]-3-furyl}methoxy)phenyl]ethyl}-d-glutamine
+CC(=O)N(c1ccc2ccccc2c1)c3nc4c(n3[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)NC(=NC4=O)N	MFO	[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O	MFP	((2-bromo-4-methylphenyl){6-[(4-{[(2r)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile
+Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@H](CN(C)C)O	MFQ	((2-bromo-4-methylphenyl){6-[(4-{[(2s)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile
+COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N	MFR	4-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
+CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MFT	3-methylthymidine 5'-(dihydrogen phosphate)
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O	MFU	methyl alpha-l-fucopyranoside
+Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H]([C@@H](C)O)N)CC(=O)O	MFV	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C1CCC(=O)C1	MFW	cyclopentanone
+COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O	MFX	1-cyclopropyl-6-fluoro-8-methoxy-7-[(4as,7as)-octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(ccc1CNCCS(=O)(=O)O)Cl	MFY	2-[(4-chlorobenzyl)amino]ethanesulfonic acid
+c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl	MFZ	3-(4,7-dichloro-1h-indol-3-yl)prop-2-yn-1-ol
+[Mg+2]	MG	magnesium ion
+c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)N2CCN(CC2)S(=O)(=O)c3ccc(nc3)N	MG0	2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
+CN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C1N	MG1	2'-deoxy-1-methylguanosine 5'-(dihydrogen phosphate)
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2)S(=O)(=O)c3ccccc3C(F)(F)F	MG2	(2s,4r)-n-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide
+CCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N	MG5	2,3,4-tri-o-propanoyl-6-o-sulfamoyl-beta-d-glucopyranose
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	MG7	7-methylguanosine
+CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O	MG8	n-octanoyl-n-methylglucamine
+CC#C[C@H]1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N	MG9	2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol 
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	MGA	beta-methyl-d-galactoside
+[H]/N=C(\N)/N/N=C/C(=NNC(=N)N)C	MGB	methylglyoxal bis-(guanylhydrazone)
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)O	MGC	methyl 2-acetamido-2-deoxy-alpha-d-galactopyranoside
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N	MGD	2-amino-5,6-dimercapto-7-methyl-3,7,8a,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide
+CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)COC(=O)CCCCCCCCCCCC	MGE	(1s)-2-(alpha-l-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl palmitate
+F[Mg-](F)F	MGF	trifluoromagnesate
+C(C[C@H](C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2+])N	MGG	2-(2-carboxy-acetylamino)-5-guanidino-pentanoic acid
+COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CN(CC(=O)O)C(=O)CCc2ccccc2	MGH	methyl n-(carboxymethyl)-n-(3-phenylpropanoyl)glycyl-d-histidinate
+Cc1cc(c(c(c1)Oc2cc(c(c(c2)O)C(=O)OC)C)O)O	MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate
+CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[N@](CCCc2ccccc2)CC(=O)O	MGJ	n-(carboxymethyl)-n-(3-phenylpropyl)glycyl-n-methyl-l-histidinamide
+COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@](CCCc2ccccc2)CC(=O)O	MGK	methyl n-(carboxymethyl)-n-(3-phenylpropyl)glycyl-l-histidinate
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MGL	methyl beta-d-glucopyranoside
+CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C	MGM	2-[methyl-(5-geranyl-4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate
+C[C@](CCC(=O)N)(C(=O)O)N	MGN	2-methyl-glutamine
+C[n+]1cn(c2c1C(=O)NC(=C2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O	MGO	[[(2r,3s,4r,5r)-5-(6-amino-3-methyl-4-oxo-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O	MGP	7-methyl-guanosine-5'-triphosphate
+c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	MGQ	7-benzyl guanine monophosphate
+CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3	MGR	malachite green
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)OC)O)NC(=O)[C@@H](CCO)O	MGS	methyl 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-2-o-methyl-alpha-d-mannopyranoside
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O	MGT	7n-methyl-8-hydroguanosine-5'-triphosphate
+c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F	MGV	p-fluoro-7-benzyl guanine monophosphate
+COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@@](CCc2ccccc2)CC(=O)O	MGW	methyl n-(carboxymethyl)-n-(2-phenylethyl)glycyl-l-histidinate
+[H]/N=C(/N)\NC	MGX	1-methylguanidine
+CNCC(=O)O	MGY	n-methylglycine
+c1cc(cc(c1)O[C@H](c2ccc(cc2)Cl)C(=O)O)C(F)(F)F	MGZ	(2r)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
+CCC1=C(C2=CC3=[N]4C(=CC5=[N]6[Fe]47[N]2=C1C=C8[N]7=C(C=C6C(=C5CCC(=O)O)C)C(=C8C)CC)C(=C3C)CCC(=O)O)C	MH0	mesoheme
+Cn1cc(nc1)C[C@@H](C(=O)O)N	MH1	1-methyl-l-histidine
+O[Mn+2]	MH2	manganese ion, 1 hydroxyl coordinated
+O[Mn+3]	MH3	manganese ion, 1 hydroxyl coordinated
+Cc1cc(ccn1)CNC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)CC3	MH4	1-methyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-n-[(2-methylpyridin-4-yl)methyl]-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+Cc1ccc(s1)CNc2cccc(c2)C(=O)O	MH5	3-[(5-methylthiophen-2-yl)methylamino]benzoic acid
+[H]/N=C(\CO)/C(=O)O	MH6	3-hydroxy-2-iminopropanoic acid
+CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)N(C)CCCC	MH7	n-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-n-methylpyrimidine-5-carboxamide
+C[C@](CCCC=C)(C(=O)O)N	MH8	(2s)-2-amino-2-methylhept-6-enoic acid
+CCCCCCC/C=C/C=C/C(=O)O	MH9	(2e,4e)-dodeca-2,4-dienoic acid
+C(C(=O)N)N(CC(=O)O)CC(=O)O	MHA	(carbamoylmethyl-carboxymethyl-amino)-acetic acid
+Cc1cc(ccc1O)/N=N/c2ccccc2C(=O)O	MHB	2-((3'-methyl-4'-hydroxyphenyl)azo)benzoic acid
+c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)CCS	MHC	3-mercapto-1-(1,3,4,9-tetrahydro-b-carbolin-2-yl)-propan-1-one
+Cn1cc(c2c1cccc2)O	MHD	1-methyl-1h-indol-3-ol
+CC(C)(C)CCC(=O)C(=O)O	MHE	5,5-dimethyl-2-oxohexanoic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N	MHF	5,10-methenyl-6,7,8-trihydrofolic acid
+CC[C@H](C)CCN1CN(C2=C1C(=O)NC(=N2)NC)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	MHG	2-methyl, 7-(3-methyl-pentane), guanosine-5'-monophosphate
+CCCCCC[P@@](=O)(O)OC	MHH	methyl hydrogen (r)-hexylphosphonate
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)N	MHI	l-ala-gamma-d-glu-meso-diaminopimelic acid
+c1ccc2c(c1)cccc2S(=O)(=O)N	MHK	naphthalene-1-sulfonamide
+CC(C)(C[C@@H](C(=O)O)NC)O	MHL	n-methyl-4-hydroxy-leucine
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C	MHM	[7,12-diethyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-diporpanoto-(2)-n21,n22,n23,n24,]iron
+CC(C)CCCCCO	MHN	6-methylheptan-1-ol
+C[S@](=O)CC[C@@H](C(=O)O)N	MHO	s-oxymethionine
+C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	MHQ	desmosterol
+CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N	MHR	4-(4-propoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
+Cn1cncc1C[C@@H](C(=O)O)N	MHS	n1-methylated histidine
+CS[C@@H]1CN2CCC1CC2	MHT	(3s)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane
+CN[C@@H](Cc1ccc(cc1)N(C)C)C(=O)O	MHU	4-n,n-(dimethylamino)-l-phenylalanine
+C1CN[C@@H](CC1=O)C(=O)O	MHV	4-oxo-l-pipecolic acid
+c1cc(c(nc1)C(=O)O)O	MHW	3-hydroxypicolinic acid
+C[C@H]([C@@H](C1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(=O)O)N)O	MHY	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C[N@@](CCCNN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	MHZ	5'-deoxy-5'-[(3-hydrazinopropyl)methylamino]adenosine
+CNC(=O)C([C@@H]([C@H](CC1CCCCC1)N)O)(F)F	MI0	(3r,4s)-4-azanyl-5-cyclohexyl-2,2-difluoro-3-hydroxy-n-methyl-pentanamide
+C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N	MI1	3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile
+[H]/N=C(\c1ccc2c(c1)cc([nH]2)c3ccccc3C)/N	MI2	2-(2-methylphenyl)-1h-indole-5-carboximidamide
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=CNC4=O)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O	MI3	3'-o-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate)
+C[C@@H](\C=C\C[C@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	MI4	(1r,3r,7e,17beta)-17-{(1s,2e,5r)-5-hydroxy-1-methyl-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+Cc1cc(sn1)Nc2cc(nc3n2ncc3c4cnn(c4)C)[C@@H]5CCCNC5	MI5	n-(3-methylisothiazol-5-yl)-3-(1-methyl-1h-pyrazol-4-yl)-5-[(3r)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
+CC(C)(C)C[C@@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@@H]([C@@H](N1)C(=O)NCCN4CCOCC4)c5cccc(c5F)Cl	MI6	(2'r,3r,4'r,5'r)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-n-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
+CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Mo]36(=O)[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C	MI9	oxomolybdenum mesoporphyrin ix
+CC(=CCNc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C	MIA	2-methylthio-n6-isopentenyl-adenosine-5'-monophosphate
+CC(=O)\C=C\c1cn(c2c1cccc2)C	MIB	(3e)-4-(1-methyl-1h-indol-3-yl)but-3-en-2-one
+C[C@@]([C@H](CC(=O)O)C(=O)O)(C(=O)O)O	MIC	alpha-methylisocitric acid
+[H]/N=C(/c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)\N	MID	1-[n-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-d-phenylalanyl]piperidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=N)S2)O)O)O)O	MIF	(5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one
+C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O	MIG	(2r,3r,4r,5s)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
+c1cc(c(c(c1)Cl)c2c3c(cc[n+]2[O-])c(cc(n3)C4CCNCC4)c5ccc(cc5F)F)Cl	MIH	8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)c3c(cccc3OC)OC)C(=O)O)C	MII	methicillin
+c1cnccc1/C(=N/CCCC[C@@H](C(=O)O)N)/N	MIK	methyl isonicotinimidate lysine
+CC1=C(C=C(C(=O)N1)C#N)c2ccncc2	MIL	milrinone
+Cc1nccn1CCCCc2ccc(cc2)CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3	MIM	[cyclohexylethyl]-[[[[4-[2-methyl-1-imidazolyl-butyl]phenyl]acetyl]-seryl]-lysinyl]-amine
+CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N	MIN	methyl-phe-pro-amino-cyclohexylglycine
+Cc1cc(on1)N	MIO	3-methyl-1,2-oxazol-5-amine
+CC(C)OP(=O)(O)O	MIP	monoisopropyl ester phosphonic acid
+CCO[P@](=O)(O)OC[C@@H](C(=O)O)N	MIR	monoethylphosphorylserine
+CC(C)O[P@](=O)(O)OC[C@@H](C(=O)O)N	MIS	monoisopropylphosphorylserine
+C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=[NH2+])N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)C	MIT	amino{[(4s)-5-[(2r,4r)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3r)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium
+c1cc(cc(c1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)CCCN)C(F)(F)F	MIU	n-{(1s)-1-{[4-(3-aminopropyl)piperazin-1-yl]carbonyl}-4-[(diaminomethylene)amino]butyl}-3-(trifluoromethyl)benzenesulfonamide
+CC[C@@H]1[C@H](\C=C\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](\C=C\C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC	MIV	mycinamicin iv
+c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO	MIX	1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-anthracenedione
+CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O	MIY	(4s,4as,5ar,12as)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2- carboxamide
+Cc1cc([n+](c(c1)C)CCc2c[nH]cn2)C	MIZ	1-[2-(1h-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2F)F)O)/C(=O)N1CC(=O)O)N)O	MJ1	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+Cc1cc(cc(c1)S(=O)(=O)N)C	MJ2	3,5-dimethylbenzenesulfonamide
+Cc1ccc(s1)CNC[C@@H](C)O	MJ4	(2r)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
+Cc1ccc(c(c1)O)Oc2ccccc2	MJ5	5-methyl-2-phenoxyphenol
+c1cc(cc(c1)c2ccc(cc2)Cl)CNCCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	MJ7	5'-s-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@H](CN)CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	MJ8	5'-({[(2r)-3-amino-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine
+C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)O)O)O)O	MJA	(3r,5r)-3,5-dihydroxy-7-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
+C1CN(CCN1)CCO	MJB	2-piperazin-1-ylethanol
+C[C@H](CCC=C(C)CCC=C(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MJC	dolichyl phosphate mannose
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C	MJD	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+Cc1cc2c(s1)c(nn2C(=O)c3c(cccc3Cl)Cl)c4ccc(cc4)C(=O)O	MJE	4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid
+c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)Cl)C(C(=O)O)C(=O)O	MJF	[(1r)-3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioic acid
+Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CN[C@@H](C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	MJG	n-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(1s)-1,2,2-trimethylpropyl]amino}methyl)benzamide
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCc3c[nH]cn3)N	MJH	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide
+CCCCCCCCCCCCCCCCOC[C@H](COCC(F)(F)F)O[P@](=O)(O)OC	MJI	1-hexadecyl-3-trifluoroethyl-sn-glycero-2-phosphate methane
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)O	MJJ	methyl 9-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(s3)Br)N	MJK	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
+CC1=C(C(=O)C2CCCCC2=N1)c3ccc(cc3)Oc4ccccc4	MJM	(4as)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4ah)-one
+c1cc(ccc1NC(=O)CN)Oc2ccc3c(c2)c(c[nH]3)C#N	MJP	2-azanyl-n-[4-[(3-cyano-1h-indol-5-yl)oxy]phenyl]ethanamide
+Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C	MJQ	n-(3-azanylpropyl)-n-[(1r)-1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]-2-methyl-propyl]-4-methyl-benzamide
+B([C@H](CCCC[NH3+])N)(O)OC	MJS	(5r)-5-amino-5-[hydroxy(methoxy)boranyl]pentan-1-aminium
+c1ccc2c(c1)cc3ccccc3c2S(=O)(=O)N	MJT	anthracene-9-sulfonamide
+c1ccc2c(c1)c3c([nH]2)nc(nc3N4CC[C@@H](C4)N)Sc5cc6c(nccn6)nc5	MJU	(3s)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9h-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine
+c1cc(ccc1C(=O)NCCN2CCC(CC2)N3c4ccc(cc4NC3=O)Cl)F	MJV	n-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide
+c1ccc(cc1)COc2ccccc2N	MJW	2-phenylmethoxyaniline
+C[C@@H](CN1CCC2(CC1)C(=O)NCN2c3cccc(c3)F)NC(=O)c4ccc(cc4)Br	MJY	4-bromo-n-{(2s)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N	MJZ	(2s,3s,4r,5r,6r)-5-(acetylamino)-4-amino-6-{[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2h-pyran-2-carboxylic acid
+CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCO[P@](=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MK0	1-o-[(s)-hydroxy{[(4s,8s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-d-mannopyranose
+CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5	MK1	n-[2(r)-hydroxy-1(s)-indanyl]-5-[(2(s)-tertiary butylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4(s)-hydroxy-2(r)-phenylmethylpentanamide
+c1ccc2c(c1)cc(o2)c3cc(cc4c3[nH]nc4)Nc5ccnc(n5)N	MK2	n~4~-[7-(1-benzofuran-2-yl)-1h-indazol-5-yl]pyrimidine-2,4-diamine
+C=NC(=O)c1cc2ccc(cc2s1)c3cc(ccc3O)Nc4ccnc(n4)N	MK3	6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-n-methylidene-1-benzothiophene-2-carboxamide
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2Br)Br)Br	MK4	{5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)O)S(=O)(=O)c2ccc(cc2)OC	MK5	2-[(dichloroacetyl)amino]ethyl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
+Cc1cc(cc(c1c2cccc(c2)COc3cc4c(cn3)[C@H]5[C@@H](C4)[C@@H]5C(=O)O)C)OCCCS(=O)(=O)C	MK6	(5ar,6s,6as)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2	MK7	(2s,5r)-1-formyl-n-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide
+CCCC[C@@](C)(C(=O)O)N	MK8	2-methyl-l-norleucine
+CCN(CC)CCCCNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)Cc4cccc(c4)NC(=O)C=C	MK9	n-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]methyl}phenyl)prop-2-enamide
+C[C@@H](CN1CCC(CC1)N2c3ccccc3NC2=O)NC(=O)c4ccc(cc4)F	MKA	4-fluoro-n-{(2s)-1-[4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
+c1cc2c(cc[nH]2)cc1C(=O)N3CCN(CC3)S(=O)(=O)c4ccc5c(c4)OC(=O)N5	MKB	6-[4-(1~{h}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{h}-1,3-benzoxazol-2-one
+CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2	MKC	6-benzyl-1-ethoxymethyl-5-isopropyl uracil
+CCCCCC[C@@](C)(C(=O)O)N	MKD	(2s)-2-amino-2-methyloctanoic acid
+CC(=O)[C@H](CCC(=O)O)N	MKE	(4s)-4-amino-5-oxohexanoic acid
+C[C@@H](CN1CCC2(CC1)[C@@H](CNC(=O)O2)c3cccc(c3)F)NC(=O)c4ccc(cc4)F	MKG	4-fluoro-n-{(2s)-1-[(5r)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide
+c1ccc(cc1)C(c2ccccc2)([C@H]3CCCN3S(=O)(=O)CCCN4C=CC(=O)NC4=O)O	MKH	1-[3-({(2r)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1h,3h)-dione
+Cc1ccc(c(c1)N2C[C@@](C(=N2)C(=O)C)(CCCN3CCN(CC3)C(=O)C)c4ccccc4)F	MKK	1-[(4r)-4-[3-(4-acetylpiperazin-1-yl)propyl]-1-(2-fluoro-5-methylphenyl)-4-phenyl-4,5-dihydro-1h-pyrazol-3-yl]ethanone
+CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C	MKM	3beta-(2-diethylaminoethoxy)androst-5-en-17-one
+c1cc(sc1)c2ccc(s2)c3cc[nH]n3	MKN	3-(5-thiophen-2-ylthiophen-2-yl)-1~{h}-pyrazole
+Cc1ccc(cc1c2cc3c(nc2)N(C(=O)N3)C(C)(C)C)C(=O)Nc4ccon4	MKP	3-(3-tert-butyl-2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)-4-methyl-n-(1,2-oxazol-3-yl)benzamide
+c1ccc(cc1)c2cc(cc(c2)S(=O)(=O)N)c3ccccc3	MKQ	3,5-diphenylbenzenesulfonamide
+CC(=O)C1=NN2c3cc(ccc3OC[C@H]2[C@@]1(CCCN4CCN(CC4)C(=O)C)c5ccccc5)F	MKR	1-{(3r,3ar)-3-[3-(4-acetylpiperazin-1-yl)propyl]-8-fluoro-3-phenyl-3a,4-dihydro-3h-pyrazolo[5,1-c][1,4]benzoxazin-2-yl}ethanone
+CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)OC)O)O2)O)C	MKS	1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one
+CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C	MKT	1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one
+CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)O)CCC(O4)(C)C)C	MKU	5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h,6h-pyrano[3,2-b]xanthen-6-one
+c1c(c(c([nH]1)Br)Br)Br	MKV	2,3,4-tribromo-1h-pyrrole
+CCC(=O)N1CCN2c3c4cc(c(cc4ncc3OC[C@H]2C1)c5c(ccc6c5c[nH]n6)C)Cl	MKW	1-[(7r)-16-chloro-15-(5-methyl-1h-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one
+[H]/N=C(\N)/N=C\1/N(c2ccc(cc2S1)O)CC(=O)OCC	MKY	ethyl [(2z)-2-(carbamimidoylimino)-6-hydroxy-1,3-benzothiazol-3(2h)-yl]acetate
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4c(ccc5c4cn[nH]5)C)Cl	MKZ	1-[4-[6-chloranyl-7-(5-methyl-1~{h}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
+c1cc(cc(c1)F)c2ccc(cc2)[C@H](C(F)(F)F)Oc3cc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N	ML0	4-{2-amino-6-[(1r)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-l-phenylalanine
+CC(=O)NCCc1c[nH]c2c1cc(cc2)OC	ML1	n-[2-(5-methoxy-1h-indol-3-yl)ethyl]acetamide
+CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC	ML2	n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]acetamide
+C[N+](C)(C)CCSC[C@@H](C(=O)O)N	ML3	2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}-n,n,n-trimethylethanaminium
+Cc1ccccc1c2ccccc2CNc3cnc(cn3)c4ccc(cc4)C[C@@H](C(=O)O)N	ML4	4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-l-phenylalanine
+CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N	ML5	{(3r)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl}phosphonic acid
+c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N	ML6	7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine
+c1ccc(cc1)c2cccc(c2)C(=O)NNS(=O)(=O)c3ccccc3	ML7	n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
+Cc1c2c(nc(n1)NC)N(C(=O)C(=C2)c3cccc(c3)CO)C4CCCC4	ML8	8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3ccc(nc3)OC)C4CCC(CC4)OCCO	ML9	2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+C(C(=O)O)C(=O)O	MLA	malonic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O	MLB	6-o-alpha-d-galactopyranosyl-alpha-d-glucopyranose
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O	MLC	malonyl-coenzyme a
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C	MLD	glcnac(beta1-4)-murnac(1,6-anhydro)-l-ala-gamma-d-glu-meso-a2pm-d-ala
+CC(C)C[C@@H](C(=O)O)NC	MLE	n-methylleucine
+C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C	MLG	n-[3-(2,4-dichlorophenoxy)propyl]-n-methyl-n-prop-2-ynylamine
+CCOC(=O)c1c2cc(c(cc2n(c1CN(C)C)c3ccccc3)Br)O	MLH	ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate
+C(C(=O)[O-])C(=O)[O-]	MLI	malonate ion
+c1ccc2c(c1)CCC[C@H]2NC(=O)CCNC(=O)c3ccc(cc3)OC(F)(F)F	MLJ	~{n}-[3-oxidanylidene-3-[[(1~{r})-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-4-(trifluoromethyloxy)benzamide
+CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C	MLK	methyllycaconitine
+CC(C)C[C@@H](C(=O)OC)N	MLL	methyl l-leucinate
+C(C(=O)N)C(=O)O	MLM	3-amino-3-oxopropanoic acid
+CCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(cc1)[N+](=O)[O-])OP(=O)(O)O	MLN	(s)-2-(phosphonoxy)caproyl-l-leucyl-p-nitroanilide
+C=CCc1ccc(c(c1)c2cc(ccc2O)CC=C)O	MLO	5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol
+C1CC1(N)[P@](=O)(O)[O-]	MLP	1-aminocyclopropylphosphonate
+CCCCCC[C@H](C(=O)O)Sc1nc2ccc(cc2s1)NS(=O)(=O)c3ccc(cc3Cl)Cl	MLQ	(2~{r})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	MLR	maltotriose
+Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2	MLS	2-fluoro-3-methyl-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
+C([C@H](C(=O)O)O)C(=O)O	MLT	d-malate
+CC(C)C[C@H](C(=O)O)NC	MLU	n-methyl-d-leucine
+c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3	MLV	2-fluoro-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
+c1cc2c3c([nH]c2c(c1)Cl)C=CC=CC3=O	MLW	4-chloranyl-5~{h}-cyclohepta[b]indol-10-one
+c1cc(ccc1N(CCCNC(=O)C(F)(F)F)C(=O)CCl)[N+](=O)[O-]	MLX	n-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide
+CN(C)CCCC[C@@H](C(=O)O)N	MLY	n-dimethyl-lysine
+CNCCCC[C@@H](C(=O)O)N	MLZ	n-methyl-lysine
+CCCNCc1ccc2c(c1)cc3ccc4c(c3n2)cc5cc(ccc5n4)CNCCC	MM0	n,n'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine
+C1C[N@@H]2CC[N@@H]3[Cu]24[N@@H](C1)CC[N@@H]4CCC3	MM1	1,4,8,11-tetraaza-cyclotetradecane cu(ii)
+c1cc(ccc1C[N@]23CCC[N@H]4[Cu@@]25[N@H](CCC[N@H]5CC3)CC4)C[N@@]67CCC[N@H]8[Cu]69[N@H](CCC[N@H]9CC7)CC8	MM2	1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraaza-cyclotetradecane]cu(ii)2
+CC1([C@H]([N@@](CCCS1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)C	MM3	n-hydroxy-4-[(4-methoxylphenyl)sulfonyl]-2,2-dimethyl-hexahydro-1,4-thiazepine-3(s)-carboxamide
+O=[Mo]=O	MM4	molybdenum (iv) oxide
+c1cc(ccc1C[N@]23CCCN4[Ni]25N(CCCN5CC3)CC4)C[N@]67CCC[N@@]8[Ni@@]69[N@](CCC[N@]9CC7)CC8	MM5	1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane]ni(ii)
+C1CN2CCN3[Ni]24N(C1)CCN4CCC3	MM6	nickel(ii)(1,4,8,11-tetraazacyclotetradecane)
+Cc1ccc(c(c1)OC)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MM7	(1r)-1,4-anhydro-2-deoxy-1-(2-methoxy-4-methylphenyl)-5-o-phosphono-d-erythro-pentitol
+Cc1c(cncc1c2ccc(c(c2)OC)C(=O)N)c3ccc(cc3)N4CCNCC4	MM8	2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)N(C)C)\N	MM9	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MMA	methyl alpha-d-mannopyranoside
+CCCO/N=C(\C)/[C@@H](Cc1ccc(cc1)OCc2c(oc(n2)c3ccccc3)C)C(=O)O	MMB	(2r,3e)-2-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyl}-3-(propoxyimino)butanoic acid
+C[Hg+]	MMC	methyl mercury ion
+CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(nc3)N)N4CCOCC4	MMD	5-(7-methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine
+CN[C@@H](CCSC)C(=O)O	MME	n-methyl methionine
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC)O	MMF	dtdp-3-n-methylamino-3,6-dideoxygalactose
+c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)C(=O)O	MMG	4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
+Cc1c(c([nH]n1)N/N=C/c2ccc(cc2)OC)C(=O)Nc3cccc(c3)NC(=O)C	MMH	n-[3-(acetylamino)phenyl]-5-{(2e)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1h-pyrazole-4-carboxamide
+CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)O)NC(=O)[C@@H]2CC(=O)NCCCCCCOC(=O)N[C@H](C(=O)N2)C(C)C	MMI	n-[(4s,5s,7r)-8-({(s)-1-[(benzylamino)oxomethyl]-2-methylpropyl}amino)-5-hydroxy-2,7-dimethyl-8-oxo-oct-4-yl]-(4s,7s)-4 -isopropyl-2,5,9-trioxo-1-oxa-3,6,10-triazacyclohexadecane-7-carboxamide
+Cc1c(sc(n1)c2ccccc2)CNC	MMJ	n-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
+CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O	MMK	2-{[(2-{[(e)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid
+Cc1ccc(cc1)C(C)C	MML	1-methyl-4-(1-methylethyl)benzene
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@](C)(CO)C(=O)O)O	MMM	(s,e)-3-hydroxy-2-((3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl)methyleneamino)-2-methylpropanoic acid
+CC(N[C@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O)O	MMN	5-deoxy-5-{[(1s)-1-hydroxyethyl]amino}-d-glucitol
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC	MMO	n~2~-methyl-l-arginine
+CCc1c(c2cc3nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c1n2C)/C(=C5CC)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C	MMP	n-methylmesoporphyrin
+C(P(=O)([O-])[O-])S	MMQ	mercaptomethyl phosphonate
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C	MMR	methyl 2-(acetylamino)-3-o-[(1r)-1-carboxyethyl]-2-deoxy-beta-d-glucopyranoside
+C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N	MMS	mimosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CON(C)C)O	MMT	5'-o-(dimethylamino)-thymidine
+CNC(=O)NC	MMU	1,3-dimethylurea
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O	MMV	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
+c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(F)(F)F	MMW	2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide
+c1cc(cnc1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5	MMY	5-(2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine
+CN1C=CNC1=S	MMZ	1-methyl-1,3-dihydro-2h-imidazole-2-thione
+[Mn+2]	MN	manganese (ii) ion
+CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O	MN0	methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+C1CNCCC1C(=O)O	MN1	4-carboxypiperidine
+c1cc(ccc1C[NH3+])CNCCC(=O)O	MN2	1-carboxyethylaminomethyl-4-aminomethylbenzene
+[Mn+3]	MN3	manganese (iii) ion
+[OH2][Mn+2]([OH2])([OH2])([OH2])[OH2]	MN5	manganese ion, 5 waters coordinated
+[OH2][Mn]([OH2])([OH2])([OH2])([OH2])[OH2]	MN6	manganese ion, 6 waters coordinated
+CC(C)CNCc1ccc(cc1)C(=O)O	MN7	1-carboxy-4-isobutylaminomethylbenzene
+CC(C)c1c(nc(s1)[C@@H]2Cc3ccccc3CN2)C(=O)O	MN8	2-(4-carcoxy-5-isopropylthiazolyl)benzopiperidine
+CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O	MN9	2-(acetylamino)-2-deoxy-d-mannose
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O	MNA	2-o-methyl-5-n-acetyl-alpha-d-neuraminic acid
+c1cc(c(cc1S)C(=O)O)[N+](=O)[O-]	MNB	5-mercapto-2-nitro-benzoic acid
+C[N+]#[C-]	MNC	methyl isocyanide
+CNC(=O)C[C@H](C(=O)O)N	MND	n-methyl-d-asparagine
+C[C@]1(Cc2cc3c(c(c2[C@@H](C1)OC)O)C(=O)c4c(cc5c(c4C3=O)O[C@H]6[C@H]([C@@H]([C@H]([C@@]5(O6)C)O)N(C)C)O)O)O	MNG	menogaril
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C	MNH	manganese protoporphyrin ix
+CN(C)c1ccc(cc1)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O	MNI	n-{[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl}-4-(dimethylamino)benzamide
+c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F	MNJ	4-fluoro-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
+CC1=C2C[C@H](CCC2=C(C(=O)C(=C1)O)O)C(=C)C	MNK	(2s)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6h-benzo[7]annulen-6-one
+CC[C@@H](C)C[C@@H](C(=O)O)NC	MNL	4,n-dimethylnorleucine
+C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO	MNM	(2s,3s,4r,5r)-2,3,4-trihydroxy-5-hydroxymethyl-piperidine
+c1ccc(cc1)[C@@H](C#N)O	MNN	(s)-mandelic acid nitrile
+CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)NS(=O)(=O)C)C=O)NC(=O)c2ccc3ccccc3c2	MNO	(3s)-n-methanesulfonyl-3-({1-[n-(2-naphtoyl)-l-valyl]-l-prolyl}amino)-4-oxobutanamide
+c1cc(cc(c1)[N+](=O)[O-])CC(=O)O	MNP	2-(3-nitrophenyl)acetic acid
+[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1cccc(c1)[N+](=O)[O-])(F)(F)F	MNQ	m-nitrophenyl aminoethyldiphosphate beryllium trifluoride
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C	MNR	protoporphyrin ix containing mn
+CN(C)c1cccc2c1cccc2S(=O)(=O)N	MNS	5-(dimethylamino)-1-naphthalenesulfonamide
+CNc1ccccc1C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N	MNT	2'(3')-o-n-methylanthraniloyl-adenosine-5'-diphosphate
+CNCC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	MNU	(2r,4s)-1-[(4r)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(methylamino)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-diol-5'-mon ophosphate
+CC(C)[C@@H](C(=O)N)NC	MNV	n-methyl-c-amino valine
+c1cc(c2c(c1)Oc3c(ccc(c3C2=O)O)[N+](=O)[O-])O	MNX	1,8-di-hydroxy-4-nitro-xanthen-9-one
+c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)N	MNY	5,8-di-amino-1,4-dihydroxy-anthraquinone
+C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCc3ccoc3)CCC=C2C(=O)O)C)O	MNZ	(4~{a}~{r},5~{s},6~{r},8~{s},8~{a}~{r})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid
+[Mo]	MO	molybdenum atom
+C(CC(=O)N)[C@@H](C(=O)O)NC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	MO0	mannopine
+[OH2][Mg+2]	MO1	magnesium ion, 1 water coordinated
+[OH2][Mg+2][OH2]	MO2	magnesium ion, 2 waters coordinated
+[OH2][Mg+2]([OH2])[OH2]	MO3	magnesium ion, 3 waters coordinated
+[OH2][Mg+2]([OH2])([OH2])[OH2]	MO4	magnesium ion, 4 waters coordinated
+[OH2][Mg+2]([OH2])([OH2])([OH2])[OH2]	MO5	magnesium ion, 5 waters coordinated
+[OH2][Mg+2]([OH2])([OH2])([OH2])([OH2])[OH2]	MO6	magnesium ion, 6 waters coordinated
+[O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[Mo]89(=O)(O7[Mo]612(O3)O4[Mo]3(=O)(O18[Mo](=O)(O3)(O9)(O2)[O-])(O5)[O-])[O-])[O-])[O-]	MO7	bis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybdenum (vi)
+Cc1c2c(nc(n1)N)CCSC2	MO8	4-methyl-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-2-amine
+c1ccc(c(c1)CS(=O)(=O)C[C@@H](C(=O)NCC#N)OC(=O)N2CCOCC2)OC(F)F	MO9	(1r)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate
+Cc1c2c(c(c(c1OC)C\C=C(/C)\CCC(=O)O)O)C(=O)OC2	MOA	mycophenolic acid
+COc1cc(cc(c1O)OC)N=Nc2ccccc2C(=O)O	MOB	2-((3',5'-dimethoxy-4'-hydroxyphenyl)azo)benzoic acid
+CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H](C3)N)COC(=O)N)N	MOC	carbamic acid 2,6-diamino-5-methyl-4,7-dioxo-2,3,4,7-tetrahydro-1h-3a-aza-cyclopenta[a]inden-8-ylmethyl ester
+CSCC[C@@H](CO[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=NC32)N)O)O)N	MOD	l-methionyl adenylate
+COCC[O-]	MOE	methoxy-ethoxyl
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C	MOF	mometasone furoate
+Cc1nc2c(o1)N=C(NC2=O)N	MOG	5-amino-2-methyl-6h-oxazolo[5,4-d]pyrimidin-7-one
+CO	MOH	methanol
+C[N@]1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O	MOI	(7r,7as,12bs)-3-methyl-2,3,4,4a,7,7a-hexahydro-1h-4,12-methano[1]benzofuro[3,2-e]isoquinoline-7,9-diol
+Cc1c\2c(nc(n1)N)C[C@@H](C/C2=N\O)c3ccc(cc3c4cccnc4)F	MOJ	(5e,7s)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6h)-one oxime
+Cc1c(c(no1)c2ccccc2)C(=O)O	MOK	5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N	MOL	3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one
+O[Mo](=O)=O	MOM	hydroxy(dioxo)molybdenum
+c1cc(ccc1CCNc2nc(nc(n2)SCCCc3ccc(cc3)Cl)N4CCNCC4)O	MON	4-(2-{[4-{[3-(4-chlorophenyl)propyl]sulfanyl}-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amino}ethyl)phenol
+[O-][Mo](=O)(=O)[O-]	MOO	molybdate ion
+CC(C)CCC=O	MOP	4-methylpentanal
+C1COCCN1C(=O)O	MOR	morpholine-4-carboxylic acid
+O=[Mo](=O)S	MOS	dioxothiomolybdenum(vi) ion
+C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	MOT	n-[4-[(2,4-diaminofuro[2,3d]pyrimidin-5-yl)methyl]methylamino]-benzoyl]-l-glutamate
+C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5[C@H]([C@@]6([C@@H]([C@H](O5)C)OC)O[C@H](C(=O)O6)CCCCCCCC(=O)O)O	MOU	(1s,4r,5r,9s,11s)-2-({[(2s,5r,6r,7r,9s,10r)-2-(7-carboxyheptyl)-6-hydroxy-10-methoxy-9-methyl-3-oxo-1,4,8-trioxaspiro[4 .5]dec-7-yl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04.8]tridec-12-ene-1-carboxylic acid
+CCC(=O)N1CCN([C@H](C1)C)C2=NC(=O)N(c3c2cc(c(n3)c4c(cccc4F)O)F)c5c(ccnc5C(C)C)C	MOV	amg 510 (bound form)
+O=[Mo]S	MOW	oxo(sulfanyl)molybdenum(iv) ion
+CO[C@@](C=O)([C@@H]1N=C(C(=C)CO1)C(=O)O)NC(=O)[C@H](c2ccc(cc2)O)C(=O)O	MOX	(2r)-2-[(1r)-1-{[(2s)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-oxazine-4-carboxylic acid
+CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)C(=O)c3ccccc3	MOY	[(4r)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](phenyl)methanone
+C/C(=C(\C(=O)O)/N)/O	MOZ	(2z)-2-amino-3-hydroxybut-2-enoic acid
+CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)NC	MP0	(2r,4s,5s)-5-amino-6-cyclohexyl-4-hydroxy-n-methyl-2-(2-methylpropyl)hexanamide
+CCC1=C(C2=CC3=C(C(=C4[N@]3([Cu@@]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)CC)C	MP1	n-methylmesoporphyrin containing copper
+c1ccc(cc1)COC(=O)N[C@@H](CS)C(=O)NCC(=O)O	MP2	n-[(benzyloxy)carbonyl]-l-cysteinylglycine
+C([C@H](C(=O)O)O)OP(=O)(O)O	MP3	3-phosphoglyceric acid
+Cc1c(cc(cc1O)[C@@H](C(=O)O)N)O	MP4	(2s)-amino(3,5-dihydroxy-4-methylphenyl)ethanoic acid
+Cc1ncc(c(n1)N)COP(=O)(O)O	MP5	(4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate
+C[C@H](C(C)(C)C)Nc1c2ccc(cc2c3c(n1)C(=CCC4CC4)C=NC3=O)c5c[nH]nc5	MP6	4-(2-cyclopropylethylidene)-9-(1h-pyrazol-4-yl)-6-{[(1r)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4h)-one
+c1ccc(cc1)[C@H](COc2ccc3c(c2)NC(=O)N3)NC(=O)C4=CC=CN(C4=O)Cc5ccc(c(c5)F)F	MP7	1-(3,4-difluorobenzyl)-2-oxo-n-{(1r)-2-[(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide
+C[C@@H]1C[C@H](NC1)C(=O)O	MP8	(4r)-4-methyl-l-proline
+c1ccc(cc1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N	MP9	2-amino-3-[3-hydroxy-5-(2-benzyl-2h-5-tetrazolyl)-4-isoxazolyl]-propionic acid
+CCCCCC[P@](=O)(O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C	MPA	(1r)-menthyl hexyl phosphonate group
+COC(=O)c1ccc(cc1)O	MPB	4-hydroxy-benzoic acid methyl ester
+CCCCCC[P@](=O)(O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C	MPC	(1s)-menthyl hexyl phosphonate group
+C[C@@H](CC(C)(C)O)O	MPD	(4s)-2-methyl-2,4-pentanediol
+c1ccc2c(c1)c(c[nH]2)[C@H](C(=O)O)NOCCS	MPE	(1h-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid
+CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](CO)O	MPG	[(z)-octadec-9-enyl] (2r)-2,3-bis(oxidanyl)propanoate
+CSCC[C@H](N)P(=O)(O)O	MPH	(1-amino-3-methylsulfanyl-propyl)-phosphonic acid
+c1cc[n+]2cc[nH]c2c1	MPI	imidazo[1,2-a]pyridine
+CSCC[C@H](N)[P@H](=O)O	MPJ	(1-amino-3-methylsulfanyl-propyl)-phosphinic acid
+Cc1c(c(no1)c2ccccc2)CO	MPK	(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol
+Cc1c(c(c(c[n+]1C)COP(=O)(O)O)C=O)O	MPL	n-methyl-pyridoxal-5'-phosphate
+CC[C@](C)(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)P(=O)(O)O	MPM	(1r)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]-1-methylpropylphosphonic acid
+C([C@@H]1C(=S)C(=S)[C@H]2[C@@H](O1)NC3=C(N2)C(=O)N=C(N3)N)OP(=O)(O)O	MPN	phosphoric acid mono-(2-amino-4-oxo-5,6-dithioxo-1,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester
+C1COCCN1CCCS(=O)(=O)O	MPO	3[n-morpholino]propane sulfonic acid
+COc1ccc(cc1OC)CCC(=O)O	MPP	3-(3,4-dimethoxyphenyl)propionic acid
+CN[C@@H](c1ccccc1)C(=O)O	MPQ	n-methyl-alpha-phenyl-glycine
+C(CS)C=O	MPR	2-mercapto-propion aldehyde
+C[P@H](=O)O	MPS	methylphosphinic acid
+C(CS)C(=O)O	MPT	beta-mercaptopropionic acid
+c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@H](CO)O)O	MPU	d-monapterin
+Cn1c(cc(n1)c2cccs2)N	MPV	1-methyl-3-(thiophen-2-yl)-1h-pyrazol-5-amine
+COc1ccnc(c1)CCc2[nH]c3c(n2)cccn3	MPW	2-[2-(4-methoxypyridin-2-yl)ethyl]-3h-imidazo[4,5-b]pyridine
+CN1CCN(CC1)NC(=S)Nc2ccc(cc2)S(=O)(=O)N	MPX	4-({[(4-methylpiperazin-1-yl)amino]carbonothioyl}amino)benzenesulfonamide
+CCc1cccc(c1NC(=O)n2cc\3c(c2)N=N/C3=N/C(=O)c4ccc(cc4)N5CCN(CC5)C)CC	MPY	(3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(c3)Nc4nccc(n4)c5cccnc5	MPZ	4-[(4-methylpiperazin-1-yl)methyl]-n-{3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide
+c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4	MQ0	4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile
+COc1ccc(cc1)Oc2cccc3c2c(nc(n3)N)N	MQ1	5-(4-methoxyphenoxy)-2,4-quinazolinediamine
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br	MQ2	~{n}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
+C1[C@@H](CC(=C1[C@@H](C=O)C(F)(F)F)N)C(=O)O	MQ4	(1s)-3-amino-4-[(2s)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	MQ7	menaquinone-7
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CC\C=C(/C)\CCC=C(C)C	MQ8	menaquinone 8
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CCC=C(C)C	MQ9	menaquinone-9
+CC1=C(C(=O)C2=C(C1=O)[N@@]3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC	MQA	[(1as,8s,8ar,8bs)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
+c1ccc2c(c1)c(co2)CC(=O)O	MQB	2-(1-benzofuran-3-yl)ethanoic acid
+[H]/N=C(\c1ccc2c(c1)c(cc(n2)C)Nc3cccc(c3)OC)/N	MQC	4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide
+C[C@@H](C[C@@](C)(CO)O)O	MQD	2-methylpentane-1,2,4-triol
+CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	MQE	2-methyl-3-[(2e,6e,10e,14e,18e,22e,26e,30e,34e,38e)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione
+CP(=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O	MQG	2-deoxy-2-{[(s)-hydroxy(methyl)phosphoryl]amino}-beta-d-glucopyranose
+C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)C(C)C	MQH	bottromycin a2
+Cc1cc2cccc(c2nc1)S(=O)=O	MQI	8-hydrosulfonyl-2-methylquinoline
+c1ccc2cc(ccc2c1)S(=O)(=O)NNC(=O)c3ccccc3F	MQJ	2-fluoro-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
+c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4CC[C@H](C4)CN)N)Cl	MQM	7-[(3s)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
+Cc1ccc2cc(ccc2n1)N	MQN	2-methylquinolin-6-amine
+Cc1cc2c(c(c1)OC)NC=CC2=O	MQO	8-methoxy-6-methylquinolin-4(1h)-one
+c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	MQP	[5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]iron
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4	MQQ	n-[(1s)-1-[({(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)carbonyl]-3-(phenylsulfonyl)propyl]morpholine-4-carboxamide
+C[C@@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3	MQR	[(3r)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone
+C[C@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3	MQS	[(3s)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone
+Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)C)OC)CO)O	MQT	methyl 2-o-acetyl-3-o-(4-methylbenzoyl)-beta-d-talopyranoside
+COCC(COC)n1ccc2c1ccc3c2c(nc(n3)N)N	MQU	7-[2-methoxy-1-(methoxymethyl)ethyl]-7h-pyrrolo[3,2-f] quinazoline-1,3-diamine
+c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4C[C@@H]5[C@H](C4)C5N)N)c6cccnc6	MQV	7-[(1r,5s,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
+CC(C)[C@H]1C(=O)N[C@H](/C(=N/CC(=O)N2CCC[C@H]2C(=O)N1)/N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](CC(=O)O)C4=N[C@@H](CS4)C(=O)O)C(C)C	MQW	(4~{r})-2-[(1~{r})-1-[[(2~{s})-2-[[(2~{s})-3-methyl-2-[[(4~{z},6~{s},9~{s},12~{s})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+C[C@H]1C(=O)N(C(=O)N1Cc2ccnc3c2cccc3)c4ccc(cc4)S(=O)(=O)C(F)(F)F	MQY	(5s)-5-methyl-1-(quinolin-4-ylmethyl)-3-{4-[(trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-dione
+C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)CCS(=O)C	MQZ	bottromycin a2 derivative
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C(=O)N	MR0	n~3~-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~,n~1~-dipropylbenzene-1,3,5-tricarboxamide
+c1cc2c(cc1CN)OCO2	MR1	1-(1,3-benzodioxol-5-yl)methanamine
+c1cc2c(ccc3c2c(c1)C(=O)OC3(c4ccc(cc4)O)c5ccc(cc5)O)[N+](=O)[O-]	MR2	3-diphenol-6-nitro-3h-benzo[de]isochromen-1-one
+Cn1cccc1	MR3	1-methyl-1h-pyrrole
+Cc1cc(cc(c1O)C)c2nc3ccccc3o2	MR4	4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol
+c1ccc2c(c1)nc(o2)c3cc(c(c(c3)Br)O)Br	MR5	4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol
+Cc1cc(cc(c1)c2nc3ccccc3o2)C	MR6	2-(3,5-dimethylphenyl)-1,3-benzoxazole
+C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)OC)OC)C)C)/C)OC	MR8	28-o-methylrapamycin
+Cc1ccc(cc1Oc2c(cccn2)c3ccnc(n3)NC)C(=O)Nc4cc(ccc4N5CCOCC5)C(F)(F)F	MR9	4-methyl-3-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)-n-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
+C#Cc1ccc(c(c1)F)Nc2c(ccc(c2F)F)C(=O)NOCCO	MRA	2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)benzamide
+C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)CCSC	MRB	bottromycin a2 derivative
+CC([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@H]([C@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O	MRC	mupirocin
+C[C@H](CC(C)(C)O)O	MRD	(4r)-2-methylpentane-2,4-diol
+CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O	MRE	2-(4-dimethylaminophenyl)diazenylbenzoic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)NCCCS	MRG	n2-(3-mercaptopropyl)-2'-deoxyguanosine-5'-monophosphate
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)NC(=O)C	MRH	4-acetamido-4,6-dideoxy-alpha-d-mannopyranose
+c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O	MRI	2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
+CCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	MRJ	n-[2-(dodecanoylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+Cn1ccnc1Sc2cc(c(cc2F)N)C(=O)Nc3nccs3	MRK	2-amino-4-fluoro-5-[(1-methyl-1h-imidazol-2-yl)sulfanyl]-n-(1,3-thiazol-2-yl)benzamide
+C1CN(CCC1N)C(=O)O	MRM	4-aminopiperidine-1-carboxylic acid
+Cc1ccccc1C(=O)Nc2cccc(c2)OC(C)C	MRN	2-methyl-n-[3-(1-methylethoxy)phenyl]benzamide
+c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O	MRO	2,6-dioxo-5-(2-phenylethyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)OC)O	MRP	3-o-methyl-alpha-l-rhamnopyranose
+[H]/N=C(/N)\NCCC[C@H]1C(=O)N[C@@H](CSCc2ccccc2CN(CC(=O)n3cccc3CC(=O)N1)Cc4ccco4)C(=O)N	MRQ	(14s,17r)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide
+CCCCCCCCCCCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MRR	(r)-2-methylmyristoyl-coenzyme a
+CCCCCCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MRS	(s)-2-methylmyristoyl-coenzyme a
+CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NCC(=O)[C@@H](c3ccccc3)N(C)C(=O)OCC4c5ccccc5-c6c4cccc6	MRT	(5r,9s,12s,15s,18s,21s)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9h-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid
+CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O	MRU	5-s-methyl-1-o-phosphono-5-thio-d-ribulose
+Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)F)C(C)C	MRV	4,4-difluoro-n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide
+c1cc2c(ccnc2cc1Cl)O	MRW	7-chloroquinolin-4-ol
+c1cc2c(cc1Br)c(c([nH]2)C(=O)N)S(=O)(=O)N3CCCC3	MRX	5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1h-indole-2-carboxamide
+C([C@H]([C@H](CO)O)O)O	MRY	meso-erythritol
+[H]/N=C(\N)/N1CCCCC1	MRZ	piperidine-1-carboximidamide
+COc1ccc2c(c1)occ2CC(=O)O	MS0	(6-methoxy-1-benzofuran-3-yl)acetic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(n2)C(=O)NC(=N3)N)C(=O)\C=C\c4c(ncn4[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(=O)N	MS1	2-[4-((2-amino-4-oxo-3,4-dihydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-{3-[5-carbamoyl-3-(3,4- dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-3h-imidazol-4-yl]-acryloyl}-amino)-benzoylamino]- pentanedioic acid
+C[C@@H]1[C@](C1(Cl)Cl)(C(=O)N[C@H](C)c2ccc(cc2)Br)[S@@](=O)C	MS2	2,2-dichloro-1-methanesulfinyl-3-methyl-cyclopropanecarboxylic acid [1-(4-bromo-phenyl)-ethyl]-amide
+CC(C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccn2)OCc3ccccc3)O)O)OCc4ccccc4	MS3	n,n-[2,5-o-dibenzyl-glucaryl]-di-[valinyl-aminomethanyl-pyridine]
+c1cc(c(cc1Cn2cncn2)c3ccc(c(c3)Cl)OS(=O)(=O)N)C#N	MS4	3-chloro-2'-cyano-5'-(1h-1,2,4-triazol-1-ylmethyl)biphenyl-4-yl sulfamate
+COc1cccc(c1)C[N@]2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N	MS5	7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate
+CSCC[C@@H](CS)N	MS6	(2s)-2-amino-4-(methylsulfanyl)butane-1-thiol
+CNC(=O)[C@H](Cc1ccc(cc1)OCc2ccccc2)N	MS7	o-benzyl-n-methyl-l-tyrosinamide
+C1C[C@@H]2[C@@H](C[C@](O2)(C[C@@H](C(=O)O)N)C(=O)O)OC1	MS8	(2r,3ar,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
+COC(=O)c1ccc(cc1N)Cl	MS9	methyl 2-amino-4-chlorobenzoate
+CN[C@@H](C(=O)O)SC	MSA	(2-s-methyl) sarcosine
+COc1ccc(cc1)S(=O)=O	MSB	1-methyloxy-4-sulfone-benzene
+c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)NCc5c(cccc5Cl)F	MSC	2,5-dibenzyloxy-3,4-dihydroxy-hexanedioic acid 2-chloro-6-fluoro-benzylamide (2-hydroxy-indan-1- yl)-amide
+CC(=O)c1ccc(c(c1O)[C@H]2C[C@H]2NC(=S)Nc3ccc(cn3)C#N)OC	MSD	1-[2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)-cyclopropyl]-3-(5-cyano-pyridin-2-yl)-thiourea
+C[Se]CC[C@@H](C(=O)O)N	MSE	selenomethionine
+C[Se]CC(=O)[O-]	MSF	[methylseleno]acetate
+C[n+]1cn(c2c1c(nc(n2)N)[S-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	MSG	7-methyl-6-thio-guanosine
+CCC[C@@H](CC)S(=O)(=O)C	MSH	3-methanesulfonyl-hexane
+CN1c2ccc(cc2C(=O)C1=O)S(=O)(=O)[N@@]3CCC[C@H]3COc4ccccc4	MSI	1-methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1h-indole-2,3-dione
+CC(C)(CCCOCN1C=CC(=O)NC1=O)NS(=O)(=O)c2ccccc2	MSJ	n-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide
+S1[Fe]2S[Fe]3[S+]2[Fe]1[S+]3[Fe]	MSK	broken fe4s4 cluster
+C[S@](=N)(=O)CC[C@@H](C(=O)O)N	MSL	(2s)-2-amino-4-(methylsulfonimidoyl)butanoic acid
+CSC	MSM	(methylsulfanyl)methane
+CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N	MSN	(1r,2r,3r,4s,5r)-4-amino-5-(methylthio)cyclopentane-1,2,3-triol
+C[Se@@](=O)CC[C@@H](C(=O)O)N	MSO	selenomethionine selenoxide
+CSCC[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=NC32)N)O)O)N	MSP	5'-o-[(l-methionyl)-sulphamoyl]adenosine
+COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)SC	MSQ	4-[3-methylsulfanylanilino]-6,7-dimethoxyquinazoline
+c1cc(ccc1n2ccnc2)O	MSR	4-(1h-imidazol-1-yl)phenol
+C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O	MSS	(molybdopterin-s,s)-oxo-molybdenum
+CCNc1nc(nc(n1)SC)NC(C)(C)C	MST	2-t-butylamino-4-ethylamino-6-methylthio-s-triazine
+COC(=O)CCC(=O)O	MSU	succinic acid monomethyl ester
+CCC[P@](=O)(O)O[C@H](CNC(=O)OC)c1ccccc1	MSW	[(1s)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
+CS[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CS)O)O)O	MSX	methyl 1,6-dithio-alpha-d-mannopyranoside
+CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)N	MSY	3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide
+c1cc(cc(c1)O[C@@H](c2ccc(cc2)Cl)C(=O)O)C(F)(F)F	MSZ	(2s)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
+Cc1c2ccccc2c(nn1)Cl	MT0	1-chloro-4-methylphthalazine
+CN(Cc1cnc2c(n1)c(nc([nH+]2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	MT1	n-(4-{[(2,4-diaminopteridin-1-ium-6-yl)methyl](methyl)amino}benzoyl)-l-glutamic acid
+CC[S@@+](C)CC[C@@H](C(=O)O)N	MT2	[(3s)-3-amino-3-carboxypropyl](ethyl)methylsulfonium
+CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)Cc5ccccc5	MT3	2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3h)-one
+CN1C(=O)C(=CN=C1Nc2ccc(cc2)F)c3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC	MT4	5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3h)-one
+CCCCCCCC\[NH+]=C\1/NC[C@H]2N1[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O	MT5	n-[(3e,5r,6r,7s,8r,8ar)-5,6,7,8-tetrahydroxyhexahydroimidazo[1,5-a]pyridin-3(2h)-ylidene]octan-1-aminium
+COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O	MT6	methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O)CO)CO)CO)CO)CO)CO)O)O)O)O	MT7	alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-beta-d-glucopyranose
+C[C@]1(CCN2c3c1cccc3CCC2=O)O	MT8	(1r)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinolin-5-one
+CC[C@@H]1[C@@](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O	MT9	(3r,4s,5s,7r,9e,11s,12r)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	MTA	5'-deoxy-5'-methylthioadenosine
+CC(C)(C)c1cc(ccc1O)/N=N/c2ccccc2C(=O)O	MTB	2-((3'-tertbutyl-4'-hydroxyphenyl)azo)benzoic acid
+COC(=O)NC1=C\2CC#C\C=C/C#C[C@@](/C2=C/CSSSC)(CC1=O)O	MTC	[1,8-dihydroxy-11-oxo-13-(2-methyltrithio-ethylidene)-bicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl]-carbamic acid methyl ester
+C[Te]CC(=O)[O-]	MTD	[methyltelluro]acetate
+C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O	MTE	phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8a,9,10,10a-hexahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester
+CNC=S	MTF	n-methylthioformamide
+CSCC(=O)[O-]	MTG	[methylthio]acetate
+CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3N)O)O	MTH	2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methylsulfanylmethyl-tetrahydro-furan-3,4-diol
+CSC[C@@H]1[C@H]([C@H]([C@@H]([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O	MTI	3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium
+CN[C@@H](Cc1ccc(cc1)OC)C(=O)O	MTJ	n,o-dimethyl-l-tyrosine
+CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O	MTK	montelukast
+C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O	MTL	d-mannitol
+CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O	MTM	(3s,4r)-2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]pyrrolidine-3,4-diol
+CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C	MTN	s-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate
+O	MTO	bound water
+CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	MTP	2-hydroxymethyl-5-(6-methylsulfanyl-purin-9-yl)-tetrahydro-furan-3,4-diol
+C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O	MTQ	(molybdopterin-s,s)-dioxo-thio-molybdenum(vi)
+CC1=CC(=CNC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MTR	(5-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1,2-dideoxy-ribofuranose-5-monophosphate
+C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)NC	MTS	(4s-trans)-4-(methylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O	MTT	maltotetraose
+c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	MTU	9-beta-d-ribofuranosyl-9h-purin-2-amine
+C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo@-](=O)(S2)O)OP(=O)(O)O	MTV	(molybdopterin-s,s)-dioxo-thio-molybdenum(iv)
+c1cc(cc(c1)C2=N/C(=N\c3cccc(c3)[N+](=O)[O-])/N=CC2)Cn4cncn4	MTW	hydroxy(oxo)(3-{[(2z)-4-[3-(1h-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5h)-ylidene]amino}phenyl)ammonium
+CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	MTX	methotrexate
+c1cc(cc(c1)O)C[C@@H](C(=O)O)N	MTY	meta-tyrosine
+Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N4CCOCC4)N=CC2	MTZ	4-methyl-5-{(2e)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-yl}-1,3-thiazol-2-amine
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4ccccc4)O)N5CCCNC5=O	MU0	(5s)-n-[(1s,2s,4s)-1-benzyl-2-hydroxy-4-{[(2s)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2h)-yl)butanoyl]amino}-5-phenylpentyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4cccc(c4)C(=O)C)O)NC(=O)C	MU1	n~2~-acetyl-n-[(1s,3s,4s)-4-({[(5s)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]carbonyl}amino)-1-benzyl-3-hydroxy-5-phenylpentyl]-l-valinamide
+C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	MU2	n-acetylmuramyl-l-alanyl-d-isoglutamine
+CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	MU4	n-[2-(hexadecanoylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCCCC4	MU5	~{n}-(2,3-dihydro-1~{h}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide
+COc1ccc(c2c1C=C(C(=O)N2)CCNC(=O)c3ccccc3I)OC	MU7	n-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide
+c1ccc(cc1)[C@H]2C[C@H](N(C2)C(=O)c3ccc4c(c3)OC[C@H]4N)C(=O)Nc5cccc(c5)Cl	MU8	(2~{s},4~{r})-1-[[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{n}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide
+CN1C2=C(C(=O)NC(=O)N2)NC1=O	MUA	9-methyl uric acid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	MUB	n-acetyl-alpha-muramic acid
+C1=CC(=O)O[C@H]1CC(=O)O	MUC	[(2s)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
+CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	MUD	n-{[(1r)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-l-glutamic acid
+c1ccc2cc(ccc2c1)S(=O)(=O)N	MUE	naphthalene-2-sulfonamide
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)c4ccc(cc4)O)CC=C5[C@@]3(CCC(=C5)C(=O)O)C	MUF	(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid
+CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	MUG	4-methylumbelliferyl-alpha-d-glucose
+Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F	MUH	n-{4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccc(cc3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC	MUI	(5s)-3-(4-acetylphenyl)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide
+COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N	MUJ	5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine
+Cc1cc(nc(n1)Nc2ccccc2)C	MUK	4,6-dimethyl-~{n}-phenyl-pyrimidin-2-amine
+CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C	MUL	tiamulin
+C[C@@H]1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O	MUM	5'-o-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine
+CCCCCCCC/C=C/C(=O)OC[C@H](CO)O	MUN	[(2~{s})-2,3-bis(oxidanyl)propyl] (~{e})-undec-2-enoate
+CCCCCCCCCCC[P@](=O)(O)OC	MUP	methoxyundecylphosphinic acid
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)NC)NS(=O)(=O)c3cccc(c3)c4ccc(cc4O)OC)/N	MUQ	4-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{n}-methyl-piperazine-1-carboxamide
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N	MUR	beta-muramic acid
+CC1=CC(=O)Oc2c1ccc(c2)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O	MUS	4-methyl-2-oxo-2h-chromen-7-yl 5-(acetylamino)-3,5-dideoxy-l-erythro-non-2-ulopyranosidonic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC	MUT	(5s)-3-(3-acetylphenyl)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide
+CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3cccc(c3)OC)O	MUU	n-[(1s,2r)-1-benzyl-3-{(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]-n'-methylsuccinamide
+CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3ccco3)O	MUV	n-{(1s,2r)-1-benzyl-3-[(cyclopropylmethyl)(2-furylsulfonyl)amino]-2-hydroxypropyl}-n'-methylsuccinamide
+CC(C)C[N@@]([C@@H](CCCCNC(=O)[C@H](C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)CN	MUW	n-{(5s)-5-[{[4-(aminomethyl)phenyl]sulfonyl}(isobutyl)amino]-6-hydroxyhexyl}-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O	MUX	(4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate
+CP(=O)([C@@H](c1ccc(cc1)O)N2C[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)O	MUY	(r)-[(s)-[(3s)-3-{[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid
+[H]/N=C(/c1ccc(cc1)C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc4ccccc4)P(O)Oc5ccccc5)\N	MUZ	[(~{r})-(4-carbamimidoylphenyl)-[[(2~{s})-1-[(2~{r})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid
+CCCCCCCCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO)O	MV1	(2s)-2,4-dihydroxy-3,3-dimethyl-n-[3-(nonylamino)-3-oxopropyl]butanamide
+CC(C)(CO)[C@@H](C(=O)NCCCO)O	MV2	(2s)-2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide
+c1ccc2c(c1)cccc2c3cc4cnc(nc4nc3N5CC[C@H](C5)N)N	MV4	7-[(3r)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
+C([C@@H](C=O)N)SSC[C@@H](C(=O)N)N	MV5	(2~{r})-2-azanyl-3-[[(2~{r})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](COc3cc(cc(c3)F)F)[C@H](C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc4ccccc4)OCCOC)O	MV7	n-[(2s,3s,5r)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2s)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+CC(C)[C@H](C(=O)O)NC	MV9	(2~{r})-3-methyl-2-(methylamino)butanoic acid
+CC(C)[C@@H](C(=O)O)NC	MVA	n-methylvaline
+C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CC[C@H]3C[C@H](CC(=O)O3)O)O	MVB	(1s,7s,8s,8ar)-1,2,3,7,8,8a-hexahydro-7-methyl-8-[2-[(2r,4r)-tetrahydro-4-hy droxy-6-oxo-2h-pyran-2-yl]ethyl]-1-naphthalenol
+CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](CO)O	MVC	monovaccenin
+C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O	MVD	2alpha-methyl-1alpha,25-dihydroxy-vitamin d3
+CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cc4c(ccnn4c3)N5CCN(CC5)C(=O)C6CC6	MVE	cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)N)\N	MVF	(2s)-1-[(2r)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-n-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide
+CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)c4ccc(cc4)C(=O)O	MVG	4-{6-[6-(propan-2-ylamino)-1h-indazol-1-yl]pyrazin-2-yl}benzoic acid
+CC(=CC(=O)NC)OP(=O)(O)OC	MVH	methyl [4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] hydrogen phosphate
+CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)O	MVI	mycinamicin vi
+c1cc2c(cc1C3CCCCC3)C4(CCOCC4)C(=O)N2	MVJ	5-cyclohexylspiro[1h-indole-3,4'-oxane]-2-one
+Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccc(cc4)C(=O)O)cc[nH]2)C	MVK	4-[(2~{s})-1-[(5,7-dimethyl-1~{h}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
+c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O	MVL	(5r,6r,7s,8r)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
+c1cc2c(nc1)n(nn2)c3ccc(cc3)C(=O)N(c4c(cccn4)Cl)[C@@H]5CCCNC5	MVM	n-(3-chloropyridin-2-yl)-n-[(3r)-piperidin-3-yl]-4-(3h-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide
+CC1=CC(=O)Nc2c1cc(cc2)Cl	MVN	6-chloro-4-methyl-1h-quinolin-2-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)CP(=O)(O)O)CO)O)O)O)O	MVP	(1s)-1,5-anhydro-4-o-alpha-d-glucopyranosyl-1-(phosphonomethyl)-d-glucitol
+CN1C(=O)c2c(sc(n2)N3CCC[C@@H]3C(=O)NCc4ccccc4)N=C1C5CCOCC5	MVQ	(2~{r})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{n}-(phenylmethyl)pyrrolidine-2-carboxamide
+CC(C)[C@@H](Cc1nnc(s1)NS(=O)(=O)c2cc(cc(c2)F)F)c3cccc(c3)F	MVT	3,5-bis(fluoranyl)-~{n}-[5-[(2~{r})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC	MVV	(2r)-1-(alpha-d-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9z)-octadec-9-enoate
+Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccccc4)cc[nH]2)C	MVW	5,7-dimethyl-4-[[(2~{s})-2-phenylpiperidin-1-yl]methyl]-1~{h}-indole
+COC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl	MVY	methyl (3s)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
+Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br	MVZ	5-bromanyl-3-chloranyl-~{n}-(1~{h}-imidazol-2-yl)-7-methyl-1~{h}-indol-4-amine
+Cc1ccc(o1)CO	MW0	(5-methylfuran-2-yl)methanol
+[OH2][Mn+2]	MW1	manganese ion, 1 water coordinated
+[OH2][Mn+2][OH2]	MW2	manganese dihydrate ion
+[OH2][Mn+2]([OH2])[OH2]	MW3	manganese ion, 3 waters coordinated
+CCOC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl	MW4	ethyl (3s)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
+c1ccc(cc1)CC2=C(N=C3NC=NN3C2=O)Cl	MW5	6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3h)-one
+C=Cc1ccc(cc1)C(=O)O	MW7	4-ethenylbenzoic acid
+c1ccnc(c1)CN(c2ccc(cc2)N3CCNCC3)C(=O)c4ccc(o4)c5ccc(cc5)Br	MW8	5-(4-bromophenyl)-~{n}-(4-piperazin-1-ylphenyl)-~{n}-(pyridin-2-ylmethyl)furan-2-carboxamide
+CS(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl	MWA	(3s)-n-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
+c1cc(ccc1Nc2ccc(cc2)NC3=NCCN3)NC4=NCCN4	MWB	n1-(4,5-dihydro-1h-imidazol-2-yl)-n4-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine
+Cc1ccc(o1)CON(O)O	MWC	dihydroxy[(5-methylfuran-2-yl)methoxy]amine
+CCCNC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl	MWD	(3s)-n~3~-(4-chloro-3-fluorophenyl)-n~1~-propylpiperidine-1,3-dicarboxamide
+C[C@@](CCC=C(CF)CF)(C=C)OP(=O)(O)OP(=O)(O)O	MWG	(3r)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate
+Cc1cc(ccc1O)Br	MWJ	4-bromo-2-methylphenol
+c1ccc(cc1)c2c(cc(nn2)N3CCN(CC3)c4ncccn4)c5ccncc5	MWL	3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine
+Cc1cc(ccc1O)F	MWM	4-fluoro-2-methylphenol
+c1cc2c(cc1N)S(=O)(=O)C=C2	MWP	1-benzothiophen-6-amine 1,1-dioxide
+c1c([nH]cn1)CCC(=O)O	MWQ	3-(1~{h}-imidazol-5-yl)propanoic acid
+C/C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/CC[C@@H](C(C)(C)O)O	MWS	4-{[(2z,6s)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7h-furo[3,2-g][1]benzopyran-7-one
+C[n+]1c(cn(n1)c2ccc(c(c2)OCCN3CCNC3=O)c4nc(cs4)CCc5ccccc5)CCCCN	MWT	1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one
+CC(C)[C@H]1c2ccc(cc2CC[C@@]1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F	MWV	(1s,2s)-2-(2-{[3-(1h-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate
+c1ccc(cc1)CCc2csc(n2)c3ccc(cc3OCCC4CCNCC4)n5cc(nn5)CCCCN	MWW	4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine
+CC[C@@]1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CSc4nc([nH]n4)N)C	MWY	(3as,4r,5s,6r,8r,9r,9ar,10r)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1h-1,2,4-triazol-3-yl)sulfanyl]acetate
+C[n+]1c(cn(n1)c2ccc(c(c2)OCCC3CCNCC3)c4nc(cs4)CCc5ccccc5)CCCCN	MWZ	4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine
+CC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)[C@@H](C)C(=O)O)OC)OC1)C(=O)O	MX0	(1r,6r,7r)-7-[(2r)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+CO[C@]([C@@H]1N=C(C(=C)CO1)C(=O)O)(C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O	MX1	(2r)-2-((r)-carboxy{[carboxy(4-hydroxyphenyl)acetyl]amino}methoxymethyl)-5-methylene-5,6-dihydro-2h-1,3-oxazine-4-carbo xylic acid
+CN(Cc1ccccc1)C(=O)CCC(=O)N(CC(=O)O)N	MX3	(1-{4-[benzyl(methyl)amino]-4-oxobutanoyl}hydrazino)acetic acid
+c1ccc(cc1)COC(=O)CCC(=O)N(CC(=O)O)N	MX4	{1-[4-(benzyloxy)-4-oxobutanoyl]hydrazino}acetic acid
+c1ccc2c(c1)CCCN2C(=O)CCC(=O)N(CC(=O)O)N	MX5	{1-[4-(3,4-dihydroquinolin-1(2h)-yl)-4-oxobutanoyl]hydrazino}acetic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC	MX7	(2r)-3-(phosphonooxy)propane-1,2-diyl (9z,9'z)bis-octadec-9-enoate
+CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)NO	MX8	4-hexoxy-~{n}-[(2~{s})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide
+Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC	MXA	6-(2,5-dimethoxy-benzyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
+Cc1nccn1Cc2cn(nn2)CC[C@H](c3ccccc3)NC(=O)/C=N/O	MXB	(r,e)-2-(hydroxyimino)-n-(3-(4-((2-methyl-1h-imidazol-1-yl)methyl)-1h-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide
+C[C@](COC(=O)N)([C@H](C(=O)O)Nc1c(cc2n1ccc(c2)C(=O)N)C=O)[S@](=O)O	MXC	(2s,3r)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid
+c1c([n+](c(nc1N2CCCCC2)N)[O-])N	MXD	6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide
+COCCO	MXE	2-methoxyethanol
+C[C@](COC(=O)NCCN)([C@H](C(=O)O)Nc1c(cc2n1cccc2)C=O)[S@](=O)O	MXF	(2s,3r)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)[C@@H]1N=C(C(=C)CS1)C(=O)O)C(=O)O)NC(=O)C	MXG	2-(1-{2-[4-(2-acetylamino-propionylamino)-4-carboxy-butyrylamino]-6-amino-hexanoylamino}-2-oxo-ethyl)-5-methylene-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)NC(=O)NC(C)(C)C)NS(=O)(=O)c3cccc(c3)c4ccc(c(c4)F)CO)\N	MXH	1-~{tert}-butyl-3-[1-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea
+CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N	MXI	4-(2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-3h-imidazol-4-yl)pyridin-2-amine
+CCCNC(=O)N1C[C@H](C[C@H](C1)N)C(=O)Nc2ccc(c(c2)F)Cl	MXJ	(3s,5r)-5-amino-n~3~-(4-chloro-3-fluorophenyl)-n~1~-propylpiperidine-1,3-dicarboxamide
+Cc1nccn1Cc2cn(nn2)CC[C@@H](c3ccccc3)NC(=O)/C=N/O	MXK	(2~{e})-2-hydroxyimino-~{n}-[(1~{s})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamid e
+Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](c4ccc(cc4)O)C(=O)O)OC)OC2)C(=O)O	MXL	moxalactam
+Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O	MXM	4-hydroxy-2-methyl-n-(5-methyl-1,3-thiazol-2-yl)-2h-1,2-benzothiazine-3-carboxamide 1,1-dioxide
+c1ccc(cc1)[C@H](C#N)O	MXN	(2r)-hydroxy(phenyl)ethanenitrile
+CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)CCC\C=C\NC(=O)OC)O)/C	MXP	myxopyronin b
+C1[C@H]2CNC[C@@H]1C3=CC=C(C(=O)N3C2)CCCO	MXQ	(1~{r},9~{s})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one
+C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@@H](NC2)C(=O)N(C)C	MXR	(2s,3r,4s)-4-{[(3s,5r)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+CC(C)([C@H](C(=O)O)Nc1c(cc2n1ccc(c2)NC(=O)OC)C=O)[S@](=O)O	MXS	(2s)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid
+CC1(CC(CC(N1O)(C)C)N2C(=O)CCC2=O)C	MXT	1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
+CC1=CC(=O)N(c2c1c(ccc2OC)OC)C	MXX	5,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)OC)O)O	MXY	2-o-methyl-beta-l-fucopyranose
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OC)O)O	MXZ	2-o-methyl-alpha-l-fucopyranose
+C([C@@H](C(=O)O)O)C(=O)N(CC(=O)O)N	MY0	(2s)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid
+c1ccc(cc1)CN(Cc2ccccc2)C(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY1	[n-(3-dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid
+c1ccc(cc1)COC(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY2	{1-[(3s)-4-(benzyloxy)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid
+c1ccc(cc1)CNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY3	[n-(3-benzylcarbamoyl-oxiranecarbonyl)-hydrazino] - acetic acid
+c1ccc(cc1)CCNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY4	(1-{(3s)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}hydrazino)acetic acid
+C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY5	{1-[(3s)-4-{[(1s)-2-(benzylamino)-1-methyl-2-oxoethyl]amino}-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid
+Cn1cnc2c1C(=O)NC(=N2)N	MY6	2-amino-7-methyl-1,7-dihydro-6h-purin-6-one
+CC1=NN(C(=O)C1c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O	MY7	2-(3-methyl-5-oxidanylidene-4-phenyl-4~{h}-pyrazol-1-yl)-3~{h}-benzimidazole-5-carboxylic acid
+CC[C@@H]1[C@H](/C=C/C=C/[C@H]([C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)O)C	MY8	mycinamicin viii
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H]([C@H]4C(=O)N(C(N4)(C)C)C)O	MY9	n-{(1s,2s)-1-benzyl-2-hydroxy-2-[(4s)-1,2,2-trimethyl-5-oxoimidazolidin-4-yl]ethyl}-n'-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide
+CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MYA	tetradecanoyl-coa
+CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@H](CO)N)O)O	MYB	decarboxylated myriocin
+c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O	MYC	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-chromen-4-one
+Cc1c2c(c(c(c1OC)CCO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)OC2	MYD	{[5-(6-amino-purin-7-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylmethyl}-phosphonic acid mono-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-ethyl] ester
+CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(cc1)Br	MYE	n2-({[(4-bromophenyl)methyl]oxy}carbonyl)-n1-[(1s)-1-formylpentyl]-l-leucinamide
+c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3O2)O)O	MYF	5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-chromen-4-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@H]([C@@H]2O)O)O)O)O)N)O)O)O	MYG	(1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+COc1ccc2c(c1)c(c[nH]2)CC(=O)O	MYI	(5-methoxy-1h-indol-3-yl)acetic acid
+Cc1cc(ccc1O)N(=O)=O	MYJ	2-methyl-4-nitrophenol
+CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N	MYK	n~6~-tetradecanoyl-l-lysine
+C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@@H](CO)O)(C)C)OC)OCO2)O)OC)C	MYL	mycalamide a
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2C[C@H](CC3)C(=C)C4)O)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	MYM	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,12alpha)-7-hydroxyatis-16-ene-18-thioate
+C1CNC(=N[C@H]1[C@@H](C(=O)O)N)N	MYN	(2s)-amino[(4r)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid
+CCC[C@@H](C=CS(=O)(=O)c1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCC(CC3)N4CCOCC4	MYP	4-morpholin-4-yl-piperidine-1-carboxylic acid [1-(3-benzenesulfonyl-1-propyl-allylcarbamoyl)-2-phenylethyl]-amide
+C([C@@H](C(=O)O)S[Au])C(=O)O	MYQ	(s)-(1,2-dicarboxyethylthio)gold
+CCCCCCCCCCCCCC(=O)O	MYR	myristic acid
+CCCCCCCCCCCCCCC	MYS	pentadecane
+CC(C)(c1cccnc1)C(=O)c2cccnc2	MYT	metyrapone
+c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O	MYU	3,5,6,7-tetrahydroxy-2-(3,4-dihydroxyphenyl)-4h-chromen-4-one
+CC[C@@H]1[C@](\C=C\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](\C=C\C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)O	MYV	mycinamicin v
+B123B45B167B289B31B823B966B744B622[C@@]45[C+]321CCCS(=O)(=O)N	MYW	 nidocarborane
+C[C@@H](/C=C/C=C/C(C)C)c1nc(cs1)c2nc(cs2)/C=C/[C@@H]([C@@H](C)/C(=C\C(=O)N)/OC)OC	MYX	(2z,6e)-7-{2'-[(2e,4e)-1,6-dimethylhepta-2,4-dienyl]-2,4'-bi-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienamid e
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC	MYY	(2r)-3-(phosphonooxy)-2-(tetradecanoyloxy)propyl palmitate
+CCCC/C=C\CCCCCCCC(=O)O	MYZ	myristoleic acid
+c1c([nH]cn1)CO	MZ0	1h-imidazol-5-ylmethanol
+C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)NC(=O)C	MZ1	n~2~-acetyl-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-l-alaninamide
+C/C(=C\C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)/C(F)(F)F	MZ2	(2e)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-4,4,4-trifluoro-3-methylbut-2-enamide
+Cc1c(cccc1F)C(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@](Cc3cccs3)S(=O)(=O)c4cccc(c4)OC)O	MZ3	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}propyl]-3-fluoro-2-methylbenzamide
+COc1cccc(c1)S(=O)(=O)[N@@](Cc2cccs2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4ccc(c(c4)O)O)O	MZ4	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}propyl]-3,4-dihydroxybenzamide
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)O)O)S(=O)(=O)c2ccc3c(c2)scn3	MZ5	(2s)-n-[(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4	MZ6	n-[(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide
+CCCCC[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3	MZ7	n~2~-acetyl-n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl}-l-valinamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4	MZ8	n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}-3-hydroxybenzamide
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)CCC(=O)CC)O)S(=O)(=O)c2ccc(cc2)OC	MZ9	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}propyl]-4-oxohexanamide
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc5c(c4F)CCNC5	MZA	6-chloro-n-[(3s)-1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide
+C[S@@](=O)[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N	MZB	(1r,2r,3r,4s,5r)-4-amino-5-[(r)-methylsulfinyl]cyclopentane-1,2,3-triol
+CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC	MZC	methyl {3-[2-(acetylamino)ethyl]-1h-indol-5-yl}carbamate
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	MZD	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,11alpha,13alpha)-7-hydroxy-11,16-epoxykaurane-18-thioate
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)NC(=O)NC(C)(C)C)NS(=O)(=O)c3cccc(c3)c4cccc(c4)/C(=N\[H])/N)/N	MZE	1-~{tert}-butyl-3-[1-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea
+Cc1cc(ccc1O)Cl	MZG	4-chloro-2-methylphenol
+C1CC(=O)N(C1=O)COCN2C(=O)CCC2=O	MZH	1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione
+C=CC(=O)N1CCC(CC1)CNc2c(c(ncn2)N)c3ccc(cc3)Oc4ccccc4	MZJ	1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one
+c1cc(ccc1c2ccc3c(c2)CCC(=O)N3)C(F)(F)F	MZK	6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{h}-quinolin-2-one
+CCc1cc(nn1c2ccc(cc2)NC(=O)c3cccnc3)c4cccnc4	MZL	n-[4-(5-ethyl-3-pyridin-3-yl-1h-pyrazol-1-yl)phenyl]pyridine-3-carboxamide
+CC(=O)/N=C\1/N(N=C(S1)S(=O)(=O)N)C	MZM	n-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3h)-ylidene)acetamide
+CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O	MZN	7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{r})-1-propanoylpyrrolidin-3-yl]-4~{h}-2,6-naphthyridin-1-one
+COc1cccc(c1)Nc2c3c([nH]cn3)ncn2	MZO	n-(3-methoxyphenyl)-9h-purin-6-amine
+c1[nH+]c(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N	MZP	4-carbamoyl-1-beta-d-ribofuranosyl-imidazolium-5-olate-5'-phosphate
+CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(cc4F)F	MZQ	7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{r})-1-propanoylpyrrolidin-3-yl]-4~{h}-isoquinolin-1-one
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N	MZR	5-hydroxy-1-(beta-d-ribofuranosyl)-1h-imidazole-4-carboxamide
+c1cc(ccc1Cn2c(cc(n2)C(=O)O)C(=O)O)F	MZS	1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
+C[C@H](CCC(=O)O)[N+](C)(C)C	MZT	4-(trimethylammonio)pentanoic acid
+c1ccnc(c1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)c4[nH]nnn4	MZV	3-(pyridin-2-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
+CCc1nnc(s1)N	MZW	5-ethyl-1,3,4-thiadiazol-2-amine
+CC1=CC(=O)Nc2c1c(ccc2OC)OC	MZX	5,8-dimethoxy-4-methylquinolin-2(1h)-one
+C1=CNC(=S)N1	MZY	1,3-dihydroimidazole-2-thione
+c1cc(ccc1C(=O)n2ccnc2)N	MZZ	(4-aminophenyl)-imidazol-1-yl-methanone
+C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O	N	any 5'-monophosphate nucleotide
+CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)([O-])[O-])O)O)O	N01	3-acetylpyridine adenine dinucleotide
+CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O	N02	(1s,2s)-2-{[n-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+Cc1c(c(c([nH]1)c2[nH]c3ccc(cc3n2)N)c4ccccc4)C(=O)C	N03	1-[5-(5-azanyl-1h-benzimidazol-2-yl)-2-methyl-4-phenyl-1h-pyrrol-3-yl]ethanone
+c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)COc2cccc(c2)\C=C/3\C(=O)NC(=O)S3	N04	(2r)-2-[[3-[[3-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CCC(=O)O)C(C)C)C#N)N	N05	3-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid
+Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4	N07	[3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone
+c1cc(oc1)C(=O)NCCc2ccc(cc2)F	N08	~{n}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
+COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(=O)Oc4c3cccc4	N09	n-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4h)-yl)acetamide
+c1cc(cc(c1)F)C[C@@H](C(=O)O)N	N0A	3-fluoro-l-phenylalanine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OC(=O)[C@@H](CCCCNC(=O)OC[C@H]4C[C@@H]5C[C@H]4C=C5)N)O)O)N	N0B	adenylated norbornene
+Cc1ccc(c(c1)C)O	N0D	2,4-dimethylphenol
+c1ccc(cc1)CCC(=O)Nc2ccc(cc2)O	N0E	~{n}-(4-hydroxyphenyl)-3-phenyl-propanamide
+C[C@@H](c1ccccc1)NC(=O)c2ccccc2N=Cc3c4ccccc4ccc3O	N0G	2-{(z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-n-[(1s)-1-phenylethyl]benzamide
+c1ccc(cc1)OCC(=O)Nc2ccccc2O	N0H	~{n}-(2-hydroxyphenyl)-2-phenoxy-ethanamide
+CC[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O	N0J	(4s,7ar,9ar,10s,11e,15r)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@H]3C[C@H]([C@H]([C@H]3CO)O)O	N0K	5-[ethyl(methyl)amino]-~{n}-[6-[[(1~{s},2~{r},3~{s},4~{r})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
+C[C@@H]1CCCC[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O	N0M	(4s,7ar,9ar,10s,15r)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@@H]3[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO	N0N	5-(dimethylamino)-~{n}-[6-[[(1~{r},2~{r},3~{s},4~{s},5~{s})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
+c1cc2c3cc1C(=O)NS(=O)(=O)CCOCCCCCCN3C[C@@]4(CCc5c4ccc(c5)Cl)CO2	N0P	(4s)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3h,5h,14h-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15h,17h)-trione
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC[C@@H]3[C@@H]([C@@H]([C@@H](CN3)O)O)CO	N0Q	5-(dimethylamino)-~{n}-[6-[(2~{r},3~{r},4~{s},5~{r})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
+C[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O	N0S	(4s,7ar,9ar,10s,11e,15r)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione
+CCCCCCCCN[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO	N0T	(1~{s},2~{s},3~{s},4~{r},5~{r})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol
+COC[C@]1(CCN(C1)CC(=O)N2CCC(=CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C8CC8	N0V	(3r)-n-[3-(2-cyclopropylpyridin-4-yl)-1h-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2h)-yl}ethyl)pyrrolidine-3-carboxamide
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC[C@H]3[C@@H]([C@@H]([C@@H](CN3)O)O)CO	N0W	5-(dimethylamino)-~{n}-[6-[(2~{s},3~{r},4~{s},5~{r})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
+c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N	N0Z	2,4-bis(azanyl)-9~{h}-pyrimido[4,5-b]indol-6-ol
+CCCCCCNC(=O)OC[C@@H](C(=O)O)N	N10	o-[(hexylamino)carbonyl]-l-serine
+c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO	N11	6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
+[H]/N=C(\c1ccc(cn1)CNC(=O)C2(CCCC2)NC(=O)[C@@H](CC3CCCCC3)NCC(=O)O)/N	N12	n-[(1r)-2-[(1-{[({6-[amino(imino)methyl]pyridin-3-yl}methyl)amino]carbonyl}cyclopentyl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]glycine
+c1ccc2c(c1)[nH]c(n2)c3c4ccc(cc4[nH]n3)c5cc([nH]n5)CC(=O)Nc6cccc(c6)F	N13	2-{3-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-1h-pyrazol-5-yl}-n-(3-fluorophenyl)acetamide
+C[C@H]1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F	N14	5-fluoro-n-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4s)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
+CC(C)CCNC(=O)Cn1cc(cn1)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4	N15	2-{4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-1h-pyrazol-1-yl}-n-(3-methylbutyl)acetamide
+C/C(=C/1\C(=O)[C@@H](NC1=O)Cc2ccccc2)/Nc3ccccc3	N16	(3z,5s)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione
+Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(cc3)Oc4ccncc4	N17	3-(4-methyl-1h-imidazol-1-yl)-n-[4-(pyridin-4-yloxy)phenyl]benzamide
+COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1	N18	methyl n-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate
+c1ccc(cc1)C[C@@H]2CN(CCN2)C(=O)c3ccc(cc3)S(=O)(=O)N	N19	4-[(3~{r})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
+C[C@@H]1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F	N1A	5-fluoro-n-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4r)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
+B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C	N1B	(s)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1h-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate
+c1nc2c3n1[C@H]4[C@@H](C(C(O4)CO[P@@](=O)(O[P@](=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N(C2=O)C=N3)O)O)O)O)O)O	N1C	n1-cyclic inosine 5'-diphosphoribose
+CN1C=C(c2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)C)C1=O)c4ccc(c(c4)OC)OC	N1D	7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one
+COC(=O)c1ccc2c(c1)cccn2	N1E	methyl quinoline-6-carboxylate
+c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4	N1G	1,5-diphenyl-n-(1h-tetrazol-5-yl)-1h-pyrazole-3-carboxamide
+c1cc(cc(c1)[N+](=O)[O-])c2cc(cc(c2O)c3cc4c([nH]3)ccc(n4)N)CC(=O)O	N1H	{5-(5-amino-1h-pyrrolo[3,2-b]pyridin-2-yl)-6-hydroxy-3'-nitro-biphenyl-3-yl]-acetic acid
+CCN1CC2(C1)CN(C2)c3ccc(nc3)Nc4ncc(c(n4)c5cnn6c5[C@@H](CCCC6)C)F	N1J	n-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4r)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
+[C@H]1([C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N	N1L	2-amino-2-deoxy-beta-d-glucopyranuronic acid
+CNC(=O)c1ccccc1I	N1M	2-iodo-n-methylbenzamide
+Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCc4ccccc4)Cl)Cl	N1N	2-[[3,4-bis(chloranyl)-5-methyl-1~{h}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid
+CCC[N+](=O)[O-]	N1P	1-nitropropane
+COCCN1CCC(CC1)CNC(=O)c2c3cc(ccc3[nH]n2)c4cccc(c4F)F	N1Q	5-[2,3-bis(fluoranyl)phenyl]-~{n}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{h}-indazole-3-carboxamide
+CC(=CCC/C(=C/CC/C(=C\CO)/C)/C)C	N1S	(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
+Cc1ccc(c(n1)N)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@@](=O)(O)[O-]	N1T	1'-deazo-thiamin diphosphate
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)OS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4	N1V	(8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H]([C@@H]2CCN=C(N2)N)NC(=O)N[C@H](Cc3ccc(cc3)O)C(=O)O	N1W	(2~{r})-2-[[(1~{s})-1-[(6~{s})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{s})-3-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+Cc1ccc(o1)[C@@H]2CCCCO2	N1X	(2s)-2-(5-methylfuran-2-yl)oxane
+c1cc(ncc1CN\2CCN/C2=C\[N+](=O)[O-])Cl	N1Y	2-chloro-5-{[(2e)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine
+CCCCCCCC[n+]1ccn(c1)C[C@@](O)(P(=O)(O)O)P(=O)(O)[O-]	N1Z	hydrogen [(1s)-1-hydroxy-2-(3-octyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
+c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)O	N20	6-cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine
+c1cc(ccc1COc2ccc(cc2)\C=C/3\C(=O)NC(=O)S3)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O	N21	(2r)-2-[[4-[[4-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid
+CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC	N22	5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
+Cc1c(c2ccccc2[nH]1)CCNC(=O)c3cccs3	N23	n-[2-(2-methyl-1h-indol-3-yl)ethyl]thiophene-2-carboxamide
+c1cc(cc(c1)Br)[C@H]2N(C(=O)CS2)c3cc(ccc3O)Cl	N24	(2s)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one
+CC1(C[N@](C([N@](C1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)S(=O)(=O)c3ccc(cc3)OC)C	N25	1,3-bis-(4-methoxy-benzenesulfonyl)-5,5-dimethyl-hexahydro-pyrimidine-2-carboxylic acid hydroxyamide
+c1cc(cc2c1cc(cc2)OP(=O)(O)O)OP(=O)(O)O	N26	naphthalene-2,6-diyl bis[dihydrogen (phosphate)]
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NC(=O)C)C(=C)c3ccccc3)c4ccccc4	N27	n-[(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide
+c1cc(ccc1CN)NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO	N28	4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{n}-oxidanyl-benzamide
+CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=NC=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl	N2A	n-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide
+CCc1ccccc1	N2B	ethylbenzene
+CN[C@@H](CSC)C(=O)O	N2C	n,s-dimethylcysteine
+CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C=CC(=N4)c5ccc(c(c5)CNC(=O)c6ccccc6)Cl)Cl	N2D	n-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide
+Cc1cccnc1c2cnc3nc(nn3c2)c4cc(ccc4F)NC(=O)c5c(nc(o5)C)C	N2E	~{n}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
+Cc1ccc(cc1)S(=O)(=O)c2ccc(o2)[N+](=O)[O-]	N2F	2-[(4-methylphenyl)sulfonyl]-5-nitrofuran
+c1ccc2c(c1)cccc2CNC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C(=O)N3	N2G	2'-deoxy-n-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate)
+C(CCNC(O)O)CN	N2H	(4-azanylbutylamino)methanediol
+C=Nc1ccc2ccccc2c1	N2I	n-(naphthalen-2-yl)methanimine
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4	N2J	n-[(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide
+CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F	N2K	~{n}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
+c1cc2cc(ccc2c(c1)N)S(=O)(=O)O	N2M	5-amino-naphtalene-2-monosulfonate
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@@H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4	N2N	dichloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
+N#[N+][O-]	N2O	nitrous oxide
+C(CCN)CCN	N2P	pentane-1,5-diamine
+Cc1ccc(o1)c2ccn[nH]2	N2Q	(5p)-5-(5-methylfuran-2-yl)-1h-pyrazole
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4	N2R	dichloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@H]2C(=O)OC5)NC(=O)CC[C@H]6C[NH2][Pt]([NH2]6)Cl)OCO4	N2S	chloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
+CN(C1CCNCC1)C(=O)N2CC(=C[C@H]2c3ccccc3)c4cc(ccc4F)F	N2T	(2s)-4-(2,5-difluorophenyl)-n-methyl-2-phenyl-n-piperidin-4-yl-2,5-dihydro-1h-pyrrole-1-carboxamide
+CC[C@@H](c1ccccc1)N2Cc3cc4c(cc3C[C@H]2C(=O)N[C@@H](Cc5ccc(cc5)c6ccnc(c6C)C)C(=O)O)OC[C@@H](O4)c7ccc(cc7)OCc8ccc(c(c8)Cl)Cl	N2V	n-{(3s,8s)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1s)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-l-phenylalanine
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@H]2C(=O)OC5)NC(=O)CC[C@@H]6C[NH2][Pt]([NH2]6)Cl)OCO4	N2W	chloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
+[H]/N=C\1/NCCN1Cc2ccc(nc2)Cl	N2Y	(2z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine
+c1ccc(c(c1)c2[nH]cnn2)Cl	N2Z	3-(2-chlorophenyl)-4~{h}-1,2,4-triazole
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)O)N	N30	(1r,2r,3s,4r,6s)-4,6-diamino-2-[(5-amino-5-deoxy-beta-d-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+C[C@@]1([C@@H]2C[C@@H]3CC[C@]2(CC3=C)C=CC1=O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O	N32	2,4-dihydroxy-3-({3-[(2s,4as,8s,8ar)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2h-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OCO[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O)CO)O)N)N)O)O)N	N33	(2s,3r,4r,5s,6r)-3-amino-4-({[(2s,3r,4r,5s,6r)-3-amino-2-{[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}methoxy)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diol
+CC(C)(C)CCN1C(=O)C(=C([C@H]2[N@@]1CCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C	N34	n-{3-[1-(3,3-dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide
+CC(C)CCN1C(=O)C(=C(C(=N1)N2CCCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C	N35	n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+c1cc(cc(c1)C(=O)N)C#C[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	N37	9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-d-glycero-alpha-l-talo-decofuranuronosyl}-9h-purin-6-amine
+COc1ccc(cc1)OCCCS(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO	N38	3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-l- alaninamide
+C[C@@]1([C@@H]2C[C@@H]3C[C@H]([C@]2(CC3=C)C=CC1=O)O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O	N3A	2,4-dihydroxy-3-({3-[(2r,4ar,8s,8ar,9r)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2h-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid
+c1ccc(cc1)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F	N3B	n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide
+CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl	N3C	4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-n-{[4-({(1r)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide
+CNCCCN	N3D	n-methylpropane-1,3-diamine
+C1CN(CCC1C(=O)O)[C@@H]2[C@H](O[C@H]([C@H]2O)N3C=CC(=O)NC3=O)CO	N3E	1-[3-(4-carboxypiperidin-1-yl)-3-deoxy-beta-d-arabinofuranosyl]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C(=O)c2ccc(cc2)Nc3ccccc3N	N3F	{4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone
+c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N	N3G	n-{[4-(6-amino-9h-purin-9-yl)butyl]sulfamoyl}-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C	N3H	n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+CC(=O)Nc1cccc(c1)N	N3M	n-(3-aminophenyl)acetamide
+c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O	N3P	n-(4-chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
+c1c(cc(c(c1Cl)c2[nH]cnn2)Cl)N(CCO)CCO	N3Q	2-[[3,5-bis(chloranyl)-4-(4~{h}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol
+Cc1cc(c(cn1)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@@](=O)(O)[O-])N	N3T	3'-deazo-thiamin diphosphate
+c1cc(c(c(c1)N)Cl)c2[nH]cnn2	N3W	2-chloranyl-3-(4~{h}-1,2,4-triazol-3-yl)aniline
+CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc4c(c3)C(=C)CO4)OC)OC)OC	N3Z	~{n}-[(10~{s})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide
+CCCCCCCCS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	N40	3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-(octylsulfonyl)-l-alaninamide
+c1cc(ccc1C(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3	N41	4-(6-cyclohexylmethoxy-9h-purin-2-ylamino)--benzamide
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(c(c4)NC(=O)C=C)C(=O)N5CCOCC5)C	N42	n-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide
+C=CCN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)[O-])OCO4	N44	5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate
+CC1=C2C(=O)NC3(N2C(=O)C(=C1)Nc4cc(ncn4)N)CCCCC3	N45	6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'h-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
+Cc1cc(nc(n1)Nc2ccc(c(c2)OCCCN3CCCC3)OC)NC	N47	n~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-n~4~,6-dimethylpyrimidine-2,4-diamine
+CC1=CC(=O)N(c2c1cc(c(c2)OC)NS(=O)(=O)c3ccc(cc3)C#N)C	N48	4-cyano-n-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide
+[H]/N=C(\c1ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)NS(=O)(=O)c4ccc5ccccc5c4)/N	N4A	4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide
+CCCCc1ccccc1	N4B	n-butylbenzene
+[H]/N=C(\N)/c1ccc(cc1)Oc2nc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N\[H])/N	N4C	n-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide
+Cc1ccc(cc1Nc2c3cnn(c3ncn2)c4ccccc4)C(=O)NC	N4D	n,4-dimethyl-3-[(1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
+CCOc1ccc(cc1)NC(=O)C	N4E	n-(4-ethoxyphenyl)acetamide
+c1cc(cc(c1)O)CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N	N4I	4-({(3s,4s)-4-[(3-hydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide
+Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(cc4)OC5CCNCC5)C6CCC6	N4K	5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole
+C[C@H]1[C@@H](NC2=C(N1)NC(=NC2=O)N)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O	N4M	1-[4-({(1r)-1-[(6s,7s)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-o-{5-o-[(r)-{[(1r)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-xylitol
+c1ccnc(c1)c2csc(n2)Nc3cccc(c3)C(=O)O	N4N	3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
+C(CCN(CCCN)CCCN)CN	N4P	n,n-bis(3-aminopropyl)butane-1,4-diamine
+COc1ccc(cc1)c2cn3cc(ccc3n2)c4cc(cc(c4)OC)OC	N4Q	6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
+CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2	N4R	nexturastat a
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCCCNCCCCNCCCN)COP(=O)(O)O)O	N4S	n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2'-deoxycytidine 5'-(dihydrogen phosphate)
+c1ccc(cc1)[C@@H]2C=C(CN2C(=O)[C@H](C3CC3)N)c4cc(ccc4F)F	N4T	(1s)-1-cyclopropyl-2-[(2s)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1h-pyrrol-1-yl]-2-oxoethanamine
+CS(=O)(=O)c1ccc(c(c1)Nc2ncccn2)N[C@@H](c3cccc(c3)Cl)c4ccccn4	N4W	~{n}1-[(~{s})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{n}2-pyrimidin-2-yl-benzene-1,2-diamine
+COc1nc(nc(n1)N2CCNCC2)Nc3cc(ccc3N[C@@H](c4cccc5c4OC(O5)(F)F)c6c(cccn6)Cl)S(=O)(=O)C	N4Z	~{n}1-[(~{s})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]-~{n}2-(4-methoxy-6-piperazin-1-yl-1,3,5-triazin-2-yl)-4-methylsulfonyl-benzene-1,2-diamine
+Cc1c(nc(nc1OC)OC)C=C(CO)CO	N50	2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol
+CN(C)C/C=C/C(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3cc(ncn3)c4c[nH]c5c4cccc5	N51	4-{[(2e)-4-(dimethylamino)but-2-enoyl]amino}-n-(3-{[6-(1h-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide
+CC1(c2c(c([nH]n2)NC(=O)c3cccc(c3)Oc4ccccc4)CN1C(=O)N5CCN(C[C@@H]5Cc6ccccc6)C)C	N53	n-[6,6-dimethyl-5-[(2s)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide
+C=C[C@H](c1ccc(cc1)c2ccc(c(c2)Cl)O)n3ccnc3	N55	2-chloranyl-4-[4-[(1~{r})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol
+c1cc(nc2c1[nH]c(n2)N3CCC[C@@H](C3)NCc4cc(cc(c4)Cl)Cl)Cl	N56	(3s)-1-(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)-n-[(3,5-dichlorophenyl)methyl]piperidin-3-amine
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O)O	N57	(2s,3s,4r)-2-amino-3,4-dihydroxyoctadecyl alpha-d-galactopyranoside
+CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Sc3ccncc3	N58	1-(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)-3-[4-(pyridin-4-ylsulfanyl)phenyl]urea
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCN)O)O)N	N5A	5'-n-[(2-amino)ethyl carboxamido] adenosine
+c1ccc(cc1)C(=O)Nc2cc(n[nH]2)C3CC3	N5B	n-(5-cyclopropyl-1h-pyrazol-3-yl)benzamide
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N)[N+](=O)[O-]	N5C	5-nitrocytidine 5'-(tetrahydrogen triphosphate)
+Cc1cc(no1)NC(=O)Nc2cnn(c2)CC(=O)NC3CC3	N5D	n-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1h-pyrazol-1-yl)acetamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCC(=O)O)C(=O)O)O	N5F	(2s)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanedioic acid
+C1CC(CCC1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CN[C@@H]3[C@H]([N@@]2COP(=O)(O)O)[C@H](N[C@@H](N3)N)O	N5G	n-({trans-4-[({(2r,4r,4as,6s,8as)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-l-glutamic acid
+C[C@@H](C/C=C/C=C/CCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O	N5H	(2~{e},5~{r},10~{e},12~{e},15~{s},19~{r})-20-[[(2~{r},3~{r})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid
+c1cc2c(ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)cc1[N+](=O)[O-]	N5I	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole
+c1cncc2c1C(=O)NC=N2	N5J	3h-pyrido[3,4-d]pyrimidin-4-one
+COc1nc(nc(n1)Nc2cc(ccc2N[C@@H](c3cccc4c3OC(O4)(F)F)c5c(cccn5)Cl)S(=O)(=O)N)N	N5K	3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{s})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-]	N5M	5-nitrocytidine 5'-(dihydrogen phosphate)
+[H]/N=C(/N)\N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N(CC(=O)O)C2CC2)NS(=O)(=O)c3ccc4ccccc4c3	N5N	2-[[(2s)-4-[[(3s)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCO)O)O)N	N5O	5'-n-(2-hydroxyl)ethyl carboxyamido adenosine
+c1cc2c(ccn2C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)cc1[N+](=O)[O-]	N5P	1-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-5-nitro -1h-indole
+c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O	N5Q	4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid
+Cc1ccc(o1)[C@@](CCNC(=O)Nc2cc(on2)C)(C(F)(F)F)O	N5S	n-(5-methyl-1,2-oxazol-3-yl)-n'-[(3s)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea
+CN(C)C(=O)N1CC(=C[C@H]1c2ccccc2)c3cc(ccc3F)F	N5T	(2s)-4-(2,5-difluorophenyl)-n,n-dimethyl-2-phenyl-2,5-dihydro-1h-pyrrole-1-carboxamide
+CCNC(=O)Nc1nccs1	N5V	n-ethyl-n'-1,3-thiazol-2-ylurea
+c1cc(ccc1Cn2ccnc2)c3ccc(cc3)C(F)(F)F	N5W	1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)C(=O)c3ccccc3	N5Y	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzamide
+c1cc(ccc1/C=C/Cn2ccnc2)c3ccc(cc3)F	N5Z	1-[(~{e})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole
+CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Oc3ccncc3	N61	1-(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea
+c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCC4=Cc5c(ccc(c5F)F)OC4=O)O	N62	~{n}-[[(2~{s},3~{s},4~{r},5~{s},6~{r})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide
+Cc1cc(no1)NC(=O)NCCCN2CCN(CC2)c3ccccc3	N64	n-(5-methyl-1,2-oxazol-3-yl)-n'-[3-(4-phenylpiperazin-1-yl)propyl]urea
+CCC/C(=N/CCCC[C@@H](C(=O)O)N)/C	N65	(2~{s})-2-azanyl-6-[(~{e})-pentan-2-ylideneamino]hexanal
+CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC	N66	~{n}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
+Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC	N67	n-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide
+C(CCCOP(=O)(O)O)CCN	N68	6-aminohexyl dihydrogen phosphate
+CC(C)c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3	N69	6-(cyclohexylmethoxy)-8-isopropyl-9h-purin-2-amine
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccccc3	N6A	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cc(c(c(c5)F)F)F)O	N6B	4-fluoranyl-~{n}-[[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide
+CCCCCC[N+](=O)[O-]	N6C	1-nitrohexane
+Cc1cc(no1)NC(=O)Nc2cccc(c2)COC	N6D	n-[3-(methoxymethyl)phenyl]-n'-(5-methyl-1,2-oxazol-3-yl)urea
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	N6E	n6-methyladenosine 5'-triphosphate
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)N	N6G	((2r,3s,4r,5s)-5-(2,6-diamino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate
+CC1(CN(CCO1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl)C	N6H	[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
+Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3	N6J	n-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1h-pyrazol-4-yl}-n'-(5-methyl-1,2-oxazol-3-yl)urea
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3Cl)Cl)N	N6L	d-phenylalanyl-n-(2,5-dichlorobenzyl)-l-prolinamide
+CNc1c2c([nH]cn2)ncn1	N6M	n-methyl-9h-purin-6-amine
+c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O	N6P	6-(naphthalen-2-yl)-9-(5-o-phosphono-beta-d-ribofuranosyl)-9h-purine
+CC(C)CCCC(=C)C=C	N6Q	7-methyl-3-methylidene-oct-1-ene
+C[C@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@](=O)(O5)O)O	N6R	(2r)-n6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate
+C[C@@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@@](=O)(O5)O)O	N6S	(2s)-n6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CP(=O)(NP(=O)(O)O)O)O)O	N6T	2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine
+CCN(CC)CCn1ccc2c1ccc(c2)NC(=O)Nc3cc(on3)C	N6V	n-{1-[2-(diethylamino)ethyl]-1h-indol-5-yl}-n'-(5-methyl-1,2-oxazol-3-yl)urea
+c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N	N6W	benzo[b][1]benzazepine-11-carboxamide
+c1cc(cc(c1)N)c2cccnc2	N6Y	3-(pyridin-3-yl)aniline
+CCC(=O)N(C)CCOc1c(ncnc1N)c2cc(cc(c2C)NC(=O)c3ccc(cc3F)C4CC4)F	N6Z	~{n}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide
+Cc1cc(no1)NC(=O)NCCS(=O)(=O)c2ccccc2	N71	n-(5-methyl-1,2-oxazol-3-yl)-n'-[2-(phenylsulfonyl)ethyl]urea
+C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O	N72	(2~{r})-2-[[(3~{r},4~{r},5~{s})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid
+CC(C)[C@H](C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2	N73	(2~{r})-3-methyl-~{n}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide
+Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3	N74	n-(1-benzyl-1h-pyrazol-4-yl)-n'-(5-methyl-1,2-oxazol-3-yl)urea
+c1cc(cc(c1)Cl)C#Cc2c3cc(c(cc3oc2c4ccc(cc4)OCC(=O)NC5CC5)O)C(=O)O	N75	3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid
+c1cc(cc(c1)S(=O)(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3	N76	3-(6-cyclohexylmethoxy-9h-purin-2-ylamino)-benzenesulfonamide
+c1cc(cnc1)CNC(=O)c2[n+](c3cc(cc(c3s2)NO)C(F)(F)F)[O-]	N77	7-(hydroxyamino)-n-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide
+CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O	N78	~{n}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
+[B-]12(c3ccccc3CO1)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	N79	[(1s,5r,6r,8r)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate
+c1cc(ccc1NC(=O)NCCCCO)S(=O)(=O)N	N7A	4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
+CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6	N7B	~{n}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
+c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCCCO	N7D	3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCCOC)O	N7E	n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(5-methoxypentyl)-beta-alaninamide
+c1ccc(cc1)Cn2c3c(c(c2N4CCC[C@@H](C4)N)C#N)N=CN(C3=O)Cc5ccnc6c5cccc6	N7F	6-[(3s)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-4-ylmethyl)-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
+CC(C)(C)[C@H](C(=O)NCCC(=O)NCCCCCOC)O	N7G	(2r)-2-hydroxy-n-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide
+Cc1c2cc3[n+]4c(c(c5c(c(c6n5[Fe]47n2c(c1C=C)cc8[n+]7c(c6)C(=C8C)CCC(=O)[O-])CCC(=O)[O-])C)N(=O)=O)C(=C3C=C)C	N7H	delta-meso nitroheme
+COc1cc(ccc1O)/C=C/CO	N7I	4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
+c1cc2c(cc1S(=O)(=O)N)NC(=NO)O2	N7J	(2z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
+CCC(=O)Nc1cccc(c1)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6	N7K	~{n}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
+c1cc(ccc1NC(=O)NCCO)S(=O)(=O)N	N7M	4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide
+c1ccc2c(c1)ccnc2C(=O)N[C@H]3CCCC[C@H]4CC[C@H](N4C3=O)C(=O)N[C@@H](CC(=O)O)CO	N7N	(3~{s})-3-[[(3~{s},6~{s},10~{a}~{s})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{h}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid
+C[P@@](=O)([C@@H](c1csc2c1cc(cc2)Cl)C(=O)N/C=C/c3ccc(c(c3)F)F)O	N7O	(s)-[(1s)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(e)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid
+CC(=O)N1CCC[C@H]1C(=O)O	N7P	1-acetyl-l-proline
+CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5	N7Q	~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
+c1cc(c(c(c1)F)F)[C@@H]2CC[C@H](C(=O)N(C2)CC(F)(F)F)NC(=O)N3CCC(CC3)N4c5cccnc5NC4=O	N7R	n-[(3r,6s)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
+c1cc(c(cc1S(=O)(=O)N)NC(=O)NCCCCO)O	N7S	4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
+C(CC(=O)O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O	N7T	(2~{s})-2-[[(3~{s},4~{r},5~{r})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid
+C[C@@H](c1ccc(cc1)[N+](=O)[O-])N2c3cc(ccc3OC2=O)S(=O)(=O)N	N7V	3-[(1s)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
+CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5	N7W	~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide
+CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)OCCOC	N7X	5'-o-[(r)-hydroxy(sulfanylidene)-lambda~5~-phosphanyl]-2'-o-(2-methoxyethyl)-5-methylcytidine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N	N7Y	adenosine 3',5'-bis(trihydrogen diphosphate)
+CCC(=O)Nc1cc(ccc1OCCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5	N7Z	~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide
+C=CN1CCC[C@H]1C(=O)O	N80	1-ethenyl-l-proline
+C([C@@H]([C@@H](C(=O)O)O)C(=O)O)C(=O)O	N81	3-carboxy-2,3-dideoxy-d-erythro-pentaric acid
+CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O	N82	~{n}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide
+c1cc(c(cc1S(=O)(=O)N)NC(=O)NCc2ccncc2)O	N84	4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide
+c1ccc2c(c1)cc([nH]2)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	N85	n-[(1h-indol-2-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O	N87	(1r,4r,5r)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid
+CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O	N88	(1r,4r,5r)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
+c1ccnc(c1)CCNC(=O)Nc2cc(ccc2O)S(=O)(=O)N	N8A	4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide
+CCCCCCCC[N+](=O)[O-]	N8C	1-nitrooctane
+CCCCCCCCOCCOCCOCCOCCOCCO	N8E	3,6,9,12,15-pentaoxatricosan-1-ol
+C1[C@@H](O[C@@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F	N8G	[[(2~{s},5~{r})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1ccc(cc1)CS(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H](O3)c4ccc(cc4Cl)Cl)CC5CCC5	N8J	(2s)-n-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2h-1,4-benzoxazine-6-carboxamide
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccccn5	N8K	n-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CN(C)C)O)O)N	N8M	5'-deoxy-5'-(dimethylamino)-8-methyladenosine
+c1ccnc(c1)[C@H]2N(C(=O)CS2)c3cccc(c3)Cl	N8N	(2s)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one
+CC(=O)N1CCC[C@@H]1C(=O)O	N8P	n-acetyl-d-proline
+c1cc(cnc1)C2=NNC(=S)N2C[C@@H]3CCCO3	N8Q	4-[[(2~{s})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{h}-1,2,4-triazole-5-thione
+Cc1c(cn(n1)C)c2cc3c(c(c2)C(=O)Nc4c(ccc(c4F)NS(=O)(=O)c5ccccc5F)Cl)ncnc3N	N8S	4-amino-n-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1h-pyrazol-4-yl)quinazoline-8-carboxamide
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCSc4c5ccccc5nc6c4CCCC6	N8T	n-[8-(1,2,3,4-tetrahydroacridin-9-ylthio)octyl]-1,2,3,4-tetrahydroacridin-9-amine
+CCCCCCCCN[C@@H]1C=C([C@@H]([C@@H]([C@H]1O)O)O)CO	N8V	(1s,2s,3s,6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol
+CC(=O)N[C@H]1CN2[C@H](COC2=O)[C@@H]([C@@H]1O)O	N8W	~{n}-[(6~{s},7~{r},8~{s},8~{a}~{r})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide
+COc1ccc2c(c1)c(ncn2)N	N8Y	6-methoxyquinazolin-4-amine
+CCn1c(nnc1S)c2c(c(n(n2)C)C)Cl	N8Z	5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol
+CC(=O)Nc1ccc2c(c1)ncn2C	N91	n-(1-methylbenzimidazol-5-yl)acetamide
+c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O)Cl	N92	4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid
+CN(CCNCc1cc(cc(c1)Cl)Cl)c2[nH]c3ccc(nc3n2)Cl	N93	5-chloro-n-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-n-methyl-3h-imidazo[4,5-b]pyridin-2-amine
+c1cc2c(c(c1)C(=O)Nc3c(ccc(c3F)NS(=O)(=O)N4CCCC4)Cl)ncnc2N	N94	4-amino-n-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide
+B(c1cnn(c1)c2cc(ncn2)Cl)(O)O	N95	[1-(6-chloropyrimidin-4-yl)-1h-pyrazol-4-yl]boronic acid
+c1cc(c(cc1F)S(=O)(=O)Nc2ccc(c(c2F)NC(=O)c3csc4c3ncnc4NC5CCC(CC5)N)Cl)F	N97	4-[(trans-4-aminocyclohexyl)amino]-n-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide
+COC(=O)c1cc(nc2n1nc(c2)c3ccccc3)c4ccc5c(c4)OCO5	N98	methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate
+CCc1cccc(c1)N2[C@H](C[C@H](N2)C(=O)O)C[C@H](C(=O)O)N	N9A	(3s,5s)-5-[(2r)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid
+COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(=C)C2)OC	N9B	1,2,3,9-tetramethoxy-6-methylidene-5~{h}-cyclohepta[a]naphthalen-8-one
+CCCc1ccc(cc1)N2[C@H](C[C@@H](N2)C(=O)O)C[C@H](C(=O)O)N	N9D	(3r,5s)-5-[(2r)-2-amino-2-carboxyethyl]-1-(4-propylphenyl)pyrazolidine-3-carboxylic acid
+CN(C)C(=O)c1ccc(nc1)Nc2cc(ccn2)N3CC[C@@](C3=O)(C#N)C4CC4	N9G	6-({4-[(3s)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-n,n-dimethylpyridine-3-carboxamide
+CCNC(=O)N1[C@](CC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3	N9H	(5s)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
+c1ccc(cc1)COC(=O)NO	N9J	benzyl hydroxycarbamate
+CN[C@@H](Cc1ccc(cc1)O)C(=O)O	N9K	(2~{s})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
+c1ccc(cc1)COC(=O)NOC(=O)O	N9M	benzyl (carboxyoxy)carbamate
+c1cc(ccc1C(=O)c2ccc(c(c2O)O)O)O	N9N	(4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone
+c1cnccc1C[C@@H](C(=O)O)N	N9P	3-pyridin-4-yl-l-alanine
+c1cc(cc(c1)Cl)c2ccc(cc2)C[C@H](CC(=O)O)NC(=O)CCC(=O)O	N9Q	4-[[(2~{r})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	N9S	4-o-alpha-d-glucopyranosyl-beta-d-glucopyranose
+COc1cc2c(cc1OC)OC(=O)C(=C2)NC(=O)[C@@H]3CCC[C@@H](C3)NCc4ccccc4	N9T	(1~{r},3~{s})-~{n}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide
+CC[C@@H](C(=O)O)C(=O)SCCNC(=O)/C=C/NC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	N9V	5'-o-[(s)-{[(s)-[(3r)-4-({(1e)-3-[(2-{[(2s)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
+CN1CCc2c(c3ccccc3n2Cc4ccc(cc4)C(=O)NO)C1	N9W	4-[(2-methyl-3,4-dihydro-1~{h}-pyrido[4,3-b]indol-5-yl)methyl]-~{n}-oxidanyl-benzamide
+c1ccnc(c1)NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC3CCCC3)CN(C=O)O	N9Y	(3s)-2-{(2r)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-n-(pyridin-2-yl)hexahydropyridazine-3-carboxamide
+CC1(CC1)Nc2c3c(ccc(n3)CC#N)nc(n2)Nc4cnn(c4)C	N9Z	2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile
+[Na+]	NA	sodium ion
+CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O	NA0	3-acetylpyridine adenine dinucleotide phosphate
+CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@@H]1O)COC)O)O	NA1	2-acetamido-2-deoxy-6-o-methyl-alpha-d-allopyranose
+[OH2-][Na+][OH2-]	NA2	sodium ion, 2 water coordinated
+c1c(cncc1Br)C(=O)N[C@@H](CC(=O)O)C=O	NA3	(3s)-3-{[(5-bromopyridin-3-yl)carbonyl]amino}-4-oxobutanoic acid
+c1cc(ccc1c2cc(cnc2)C(=O)N[C@@H](CC(=O)O)C=O)C(=O)O	NA4	4-[5-(2-carboxy-1-formyl-ethylcarbamoyl)-pyridin-3-yl]-benzoic acid
+[OH2-][Na+]([OH2-])([OH2-])([OH2-])[OH2-]	NA5	sodium ion, 5 waters coordinated
+[OH2-][Na+]([OH2-])([OH2-])([OH2-])([OH2-])[OH2-]	NA6	sodium ion, 6 waters coordinated
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)OP(=O)(O)O)N	NA7	[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)[NH3+]	NA8	(1s)-1-carboxy-2-naphthalen-2-ylethanaminium
+[H]/N=C(\c1ccc(cn1)CNC(=O)[C@H](C)N(C)C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)/N	NA9	n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({6-[amino(imino)methyl]pyridin-3-yl}methyl)-n~2~-methyl-l-alaninamide
+CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	NAA	2-acetamido-2-deoxy-beta-d-allopyranose
+c1ccc2c(c1)c(ccc2O)/N=N/c3ccccc3C(=O)O	NAB	2-((4'-hydroxynaphthyl)-azo)benzoic acid
+CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NAC	3-acetyl pyridine adenine dinucleotide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	NAD	nicotinamide-adenine-dinucleotide
+CC(=O)Cc1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NAE	nicotinamide adenine dinucleotide acetone adduct
+C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O	NAF	m-(n,n,n-trimethylammonio)-2,2,2-trifluoro-1,1-dihydroxyethylbenzene
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	NAG	2-acetamido-2-deoxy-beta-d-glucopyranose
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	NAH	nicotinamide-adenine-dinucleotide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N	NAI	1,4-dihydronicotinamide adenine dinucleotide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N	NAJ	nicotinamide-adenine-dinucleotide (acidic form)
+CC(=[NH2+])C(=O)[O-]	NAK	amino-acrylate
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)N	NAL	beta-(2-naphthyl)-alanine
+c1ccc2c(c1)cccc2C[C@@H](C(=O)N)N	NAM	nam napthylaminoalanine
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	NAN	5-n-acetyl-alpha-d-neuraminic acid
+[OH2-][Na+]	NAO	sodium ion, 1 water coordinated
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N	NAP	nadp nicotinamide-adenine-dinucleotide phosphate
+CCC(=O)[C@@H](C)c1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NAQ	nicotinamide adenine dinucleotide 3-pentanone adduct
+c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O	NAR	naringenin
+c1ccc2cc(ccc2c1)S(=O)(=O)O	NAS	2-naphthalenesulfonic acid
+CCOC(=O)C1=C(NC(=S)N[C@H]1c2cccc(c2)O)C	NAT	ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
+CC(=O)N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(CCC(=O)O)(O)O	NAU	4,4,6,7,8,9-hexahydroxy-5-methylcarboxamidononanoic acid
+CC(=O)N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)CCC(=O)O	NAV	6,7,8,9-tetrahydroxy-5-methylcarboxamido-4-oxononanoic acid
+[OH2-][Na+]([OH2-])[OH2-]	NAW	sodium ion, 3 waters coordinated
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)O)N	NAX	beta-6-hydroxy-1,4,5,6-tetrhydronicotinamide adenine dinucleotide
+CC(=O)N[C@H](CCC(=O)C(=O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	NAY	6,7,8,9-tetrahydroxy-5-methylcarboxamido-2-oxononanoic acid
+Cc1ccc2ccc(nc2n1)NC(=O)CCNCCC(=O)NCc3ccc4c(n3)NC(=O)C=C4	NAZ	n~3~-{3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}-n~1~-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]-bet a-alaninamide
+CCCC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	NB1	(3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C	NB2	(1r,2s,5s)-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
+Cc1nc(c(c(n1)N2CCN3CCOC[C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(CO)O	NB4	(2r)-2-(cyclopentylmethyl)-n'-{5-fluoro-6-[(9as)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1h)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide
+Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CC6(C5)CN(C6)C)OC7(CC7)C)F	NB5	7-fluoranyl-~{n}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
+c1ccc(cc1)C(=O)NNS(=O)(=O)c2ccccc2F	NB7	n'-[(2-fluorophenyl)sulfonyl]benzohydrazide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)NO)N)O)O)N	NB8	5'-o-[(r)-{[(2s)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine
+CNCCCNCCCNCCC(O)O	NBA	3-[(3-{[3-(methylamino)propyl]amino}propyl)amino]propane-1,1-diol
+CCCCNS(=O)(=O)c1ccccc1	NBB	n-butyl-benzenesulfonamide
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC[N+](=O)[O-])O	NBC	s-4-nitrobutyryl-coa
+c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)[n+]6cccc(c6)C(=O)N)O)O)O)O	NBD	n6-benzyl-nicotinamide-adenine-dinucleotide
+c1ccc(cc1)N=O	NBE	nitrosobenzene
+B(CNC(=O)c1c2ccccc2ccc1OCC)(O)O	NBF	[(2-ethoxy-1-naphthoyl)amino]methylboronic acid
+CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	NBG	n-acetyl-beta-d-glucopyranosylamine
+CCCN(Cc1ccccc1)Cc2ccc(cc2)NC(=O)Cc3ccc(cc3)S(=O)(=O)CC	NBH	n-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide
+c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-]	NBI	2-nitro-n-phenylbenzamide
+c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I	NBJ	n'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
+Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CCN(CC5)C)OC6(CC6)C)F	NBK	7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{n}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
+CC(C)C[C@@H](C(=O)N[C@@H]1CCN(C1)C#N)NC(=O)OCc2ccccc2	NBL	n2-[(benzyloxy)carbonyl]-n1-[(3s)-1-cyanopyrrolidin-3-yl]-l-leucinamide
+c1cc(ccc1CSc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[N+](=O)[O-]	NBM	6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-d-ribofuranosyl-9h-purine
+CCCC[N+]#[C-]	NBN	n-butyl isocyanide
+CC(=O)CCc1ccc2cc(ccc2c1)OC	NBO	nabumetone
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4Br)OP(=O)(O)O)O)O)O)C(=O)N	NBP	nicotinamide 8-bromo-adenine dinucleotide phosphate
+c1ccc2cc(ccc2c1)OC/C(=C\C=O)/Nc3cc(c(cc3O)O)C[C@@H](C(=O)O)N	NBQ	2-hydroxy-5-({1-[(2-naphthyloxy)methyl]-3-oxoprop-1-enyl}amino)tyrosine
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)OCCOc3ccc(cc3)C[n+]4ccc(cc4)N(C)C	NBR	1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-n,n-dimethyl-pyridin-4-amine
+c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)OP(=O)(O)O)O)O	NBS	n6-benzyl adenosine-5'-diphosphate
+CC[C@H](C)[N+](=O)[O-]	NBT	(2s)-2-nitrobutane
+CCCC	NBU	n-butane
+CCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O	NBV	(2r,3r,4r,5s)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
+CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)Nc4cnn(c4)C5CCN(CC5)C	NBW	~{n},~{n}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N	NBX	n-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]	NBY	n-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+c1ccc(cc1)[N+](=O)[O-]	NBZ	nitrobenzene
+CN	NC	methylamine group
+c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-])C(=O)OC[C@@H](C(=O)[O-])N	NC1	nitrocefin acyl-serine
+c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)OC[C@@H](C(=O)O)N	NC2	nitrocefin acyl-serine
+C1CCC(CC1)NC(=O)NCC(=O)O	NC3	n-[(cyclohexylamino)carbonyl]glycine
+C1CCC(CC1)NC(=O)NCCCC(=O)O	NC4	4-{[(cyclohexylamino)carbonyl]amino}butanoic acid
+CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@@H]5CC	NC5	3-[(2r)-2-ethylpiperidin-1-yl]-n-[6-({3-[(2s)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide
+C1CCC(CC1)NC(=O)NCCCCCC(=O)O	NC6	6-{[(cyclohexylamino)carbonyl]amino}hexanoic acid
+C1CCC(CC1)NC(=O)NCCCCCCC(=O)O	NC7	7-{[(cyclohexylamino)carbonyl]amino}heptanoic acid
+c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)COC(=O)c4ccc(cc4)Br)N	NC8	(3r)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1h-azepinium
+c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)CO)N	NC9	(3r)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1h-azepinium
+c1cc(cnc1)C(=O)N	NCA	nicotinamide
+C[C@H](C(=O)O)NC(=O)N	NCB	n-carbamoyl-alanine
+CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O	NCC	cytidine-5'-monophosphate-5-n-acetylneuraminic acid
+C([C@@H](C(=O)O)NC(=O)N)C(=O)O	NCD	n-carbamoyl-l-aspartate
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCOCC4)NC(=O)CCN5CCOCC5	NCE	3,6-bis[(3-morpholinopropionamido)] acridine
+c1cc(sc1)CC(=O)N[C@@H]([C@@H]2N=C(CCS2)C(=O)O)C(=O)O	NCF	(2r)-2-{(1r)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1cc(cc2c1ccc(c2C(=O)O[C@H]3[C@@H](c4cc5c(cc4[C@@H]3SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N)[C@](C=C5)([C@H]6COC(=O)O6)O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)NC)O)OC	NCG	[(r)-4-((1,3-dioxolane-2-oxy)-4-(s)-yl)-4-hydroxy]-(r)-10-(2-methylamino-5-methyl-2,6-dideoxygalactopyranosyl-oxy)-(r)-11-(2-hydroxy-5-methyl-7-methoxy-1-naphthoyl-oxy)-(r)-12-s-glutathionyl-4,10,11,12-tetrahydroindacene
+C[N+](C)(C)CCO[P@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]	NCH	p-nitrophenyl-phosphocholine
+CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5CC	NCI	3,6-bis{3-[(2r)-(2-ethylpiperidino)]propionamido}acridine
+C[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5C	NCJ	3,6-bis{3-[(2r)-2-methylpiperidino)]propionamido}acridine
+CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CCN5CCC(CC5)C	NCK	3,6-bis[3-(4-methylpiperidino)propionamido]acridine
+C[C@@H]1CCC[N@](C1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@]5CCC[C@H](C5)C	NCL	3,6-bis{3-(3-[(3r)-methylpiperidino)]propionamido}acridine
+C1C[C@@H]2C[C@H]1CC2=O	NCM	norcamphor
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O	NCN	nicotinate mononucleotide
+[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3]	NCO	cobalt hexammine(iii)
+N[Pt](N)(Cl)Cl	NCP	cis-diaminodichloroplatinum
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCCCC4)NC(=O)CCN5CCCCCC5	NCQ	3,6-bis[3-(azepan-1-yl)propionamido]acridine
+Cc1ccc(c(c1)[N+](=O)[O-])O	NCR	2-nitro-p-cresol
+Cc1cc(cc2c1C=CC(=O)[C@]23[C@@H]4c5cc6c(cc5[C@H]([C@@H]4OC3=O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)[NH2+]C)C=C[C@@]6([C@H]8COC(=O)O8)O)OC	NCS	spiro[[7-methoxy-5-methyl-1,2-dihydro-naphthalene]-3,1'-[5-hydroxy-9-[2-methylamino-2,6-dideoxygalactopyranosyl-oxy]-5-(2-oxo-[1,3]dioxolan-4-yl)-3a,5,9,9a-tetrahydro-3h-1-oxa-cyclopenta[a]-s-indacen-2-one]]
+C[N@@]1CCC[C@H]1c2cccnc2	NCT	(s)-3-(1-methylpyrrolidin-2-yl)pyridine
+CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)COP(=O)(O)O)O	NCU	[(1r,5r,7r,8s)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2h)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate
+CC1=C(N(C(=O)NC1=O)C)CC(CO)CO	NCV	n-methyl-6-(1,3-dihydroxy-isobutyl)thymine
+CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@@H]([C@H]([C@@H]2O)O)O	NCW	(1s,2r,3s,4r,5r)-2,3,4-trihydroxy-n-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide
+c1cc2c(cc1[N+](=O)[O-])c(cn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N	NCX	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole-3-carboxamide
+CN[C@@H](CS)C(=O)O	NCY	n-methylcysteine
+Cc1cc(cc2c1ccc(c2C(=O)OC3[C@H](C=C[C@H]3O)O)O)OC	NCZ	2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester
+[Nd+3]	ND	neodymium ion
+CN(C)C(=O)C=CCNCCOc1ccc(cn1)/C(=C(/CC(F)(F)F)\c2ccccc2)/c3ccc4c(c3)c([nH]n4)F	ND1	(2z)-n,n-dimethyl-4-{[2-({5-[(1z)-4,4,4-trifluoro-1-(3-fluoro-2h-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide
+CC1(CC1)Oc2c3c(ccc(n3)c4cnn(c4)C)nc(n2)Nc5cnn(c5)C6CCN(CC6)C	ND2	4-(1-methylcyclopropyl)oxy-~{n}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine
+CC1(C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)C	ND3	2,2-dimethyl-3-dehydroquinic acid
+[2H][N+]([2H])([2H])[2H]	ND4	ammonium cation with d
+c1c(cc(c(c1/C=N/OCCC(=O)O)O)Br)Br	ND5	3-[(~{e})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N)O)O)O)N	ND7	5'-o-[(s)-amino(hydroxy)phosphoryl]adenosine
+c1ccc2c(c1)cc(s2)C(=O)O	ND8	benzothiophene 2 carboxylic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)CN	NDA	3-aminomethyl-pyridinium-adenine-dinucleotide
+C[N+](C)(CCCS(=O)(=O)O)CCO	NDB	n-(2-hydroxyethyl)-n,n-dimethyl-3-sulfopropan-1-aminium
+c1c[n+](cc(c1[C@@H]2CCCCC2=O)C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	NDC	nicotinamide adenine dinucleotide cyclohexanone
+c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O	NDD	2,6-dicarboxynaphthalene
+c1c[n+](cc(c1[C@H](C(=O)COP(=O)(O)O)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NDE	adenosine 5'-(trihydrogen diphosphate) p'-5'-ester with 3-(aminocarbonyl)-4-(1-hydroxyl-2-oxo-3-phosphonooxy-propyl)-1-beta-d-ribofuranosylpyridinium inner salt
+c1ccc(cc1)C[C@H](C(=O)O)NC(=O)C(=O)O	NDF	n-(carboxycarbonyl)-d-phenylalanine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	NDG	2-acetamido-2-deoxy-alpha-d-glucopyranose
+c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O	NDH	(1r, 2s)-cis 1,2 dihydroxy-1,2-dihydronaphthalene
+CCCCNC(=S)N1C[C@@H]([C@H]([C@H]([C@H]1CO)O)O)O	NDJ	(2r,3s,4r,5s)-n-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide
+Cn1c[n+](c2c1NC(NC2O)N)C	NDM	7,9-dimethylguanine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O	NDN	2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate)
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5O)OP(=O)(O)O)O)O)O)C(=O)N	NDO	nicotinamide-(6-deamino-6-hydroxy-adenine)-dinucleotide phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N	NDP	nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
+Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP(=O)(O)O	NDQ	2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34	NDR	(14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one
+CC[N+](C)(C)CCCS(=O)(=O)[O-]	NDS	ethyl dimethyl ammonio propane sulfonate
+B1(c2ccccc2C=N[N@@]1S(=O)(=O)c3ccc(cc3)C)O	NDT	2-(toluene-4-sulfonyl)-2h-benzo[d][1,2,3]diazaborinin-1-ol
+C1[C@@H]([C@H](O[C@H]1N2CC(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O	NDU	2'-deoxy-5-nitrouridine 5'-monophosphate
+CC1([C@@H](N[C@@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C	NDV	(2s,4s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N	NDW	alpha-nadph
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C[C@H](C(=O)N4)C5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OP(=O)(O)O)O)O)O)C	NDX	[[(2~{r},3~{s},4~{r},5~{r})-5-[4-[(1~{s},3~{a}~{s},3~{b}~{s},5~{a}~{r},8~{s},9~{a}~{r},9~{b}~{s},11~{a}~{s})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{h}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+c1ccc(cc1)C[C@H](C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O	NDY	(1r,4r,5r)-1,4,5-trihydroxy-3-[(1r)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid
+C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O	NDZ	(2r,3ar,6r,7r,7ar)-2-[(2s)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2h-furo[3,2-b]pyran-2-carboxylic acid
+c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl	NE1	2',3,3',4',5-pentachlorobiphenyl-4-ol
+c1cc(c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl	NE2	3,3',4',5-tetrachlorobiphenyl-4-ol
+c1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)[N+](=O)=O)c4ccc(c(c4)C(=O)O)O)O	NE5	5-[(2~{r})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{h}-pyrrol-1-yl]-2-oxidanyl-benzoic acid
+CCC/C(=C/C=C(\C)/C(=O)C1C(=O)C=C(OC1=O)[C@H](C)CCC\C=N\C(=O)OC)/C	NE6	methyl [(1e,5r)-5-{(3s)-3-[(2e,4e)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2h-pyran-6-yl}hexylidene]carbamate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O	NE7	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
+c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3	NE8	6-amino-4-(2-phenylethyl)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCN)O)O)N	NEA	5'-deoxy-5'-[2-(amino)ethylthio]adenosine
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O)O)O)[NH3+]	NEB	2-deoxy-d-streptamine
+CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	NEC	n-ethyl-5'-carboxamido adenosine
+C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)[NH3+])O)O)[NH3+]	NED	2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose
+Cc1cc(cc(c1Cl)C)Oc2cccc(c2)Cn3ccnc3	NEE	1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1h-imidazole
+c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)/C=C/c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O	NEF	nitrocefin - open form
+C[N@@](CC(=O)O)NC(=O)C[C@@H](C[C@H](CN)O)N	NEG	negamycin
+CCN	NEH	ethanamine
+CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)I)O)O	NEI	(2s,3s,4r,5r)-5-(6-amino-2-iodo-9h-purin-9-yl)-n-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O	NEJ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
+c1cc(ccc1/C=N/OCCC(=O)O)O	NEK	3-[(~{e})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid
+Cn1cc(nc1)C[C@@H](C(=O)O)N	NEM	ne2-methylated histidine
+CCN1C(=O)CCC1=O	NEN	1-ethyl-pyrrolidine-2,5-dione
+c1c(nc2c(n1)N=C(NC2=O)N)[C@H]([C@@H](CO)O)O	NEO	neopterin
+c1c(ncn1P(=O)(O)O)C[C@@H](C(=O)O)N	NEP	n1-phosphonohistidine
+CCN1C(=O)C=CC1=O	NEQ	n-ethylmaleimide
+CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O	NER	(15e)-tetracos-15-enoic acid
+C(CS(=O)(=O)O)NC(CO)(CO)CO	NES	2-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-ethanesulfonic acid
+CC[N+](CC)(CC)CC	NET	tetraethylammonium ion
+c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O)O	NEU	l-neopterin
+Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4	NEV	nevirapine
+c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl	NEW	3,3',5,5'-tetrachlorobiphenyl-4,4'-diol
+C\C(=C/C=C/C=C(\C)/C=C/C=C(C)C=C=C1C(C[C@@H](C[C@@]1(C)O)O)(C)C)\C=C\C=C(\C)/C=C/[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C	NEX	(1r,3r)-6-{(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1s,4r,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene}-1,5,5-trimethylcyclohexane-1,3-diol
+Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3	NEZ	6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC[NH2+]CCC[NH2+]CCN4C(=O)c5cccc6c5c(ccc6)C4=O	NF	n,n'-(3,7-diazanonylene)-bis-naphthalimide
+Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4)C2=O	NF1	2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione
+Cc1cc(c(cc1F)F)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	NF2	(1s)-1,4-anhydro-1-(2,4-difluoro-5-methylphenyl)-5-o-phosphono-d-ribitol
+CCOC(=O)/C=C\C(=O)O	NF3	(~{z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid
+CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O	NF4	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[(2-ethylbutyl)({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1cc(ccc1C(=O)Nc2ccc3c(c2)CCNCC3)Br	NF5	4-bromo-n-(2,3,4,5-tetrahydro-1h-3-benzazepin-7-yl)benzamide
+Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4N(C)C)C2=O	NF6	6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O	NF7	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F	NF8	(2~{r},3~{s},4~{s},5~{s})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
+c1ccc(cc1)C[C@@H](C(=O)N)N	NFA	phenylalanine amide
+C(=O)[Fe](C=O)(C#N)O[Ni]	NFB	ni-fe active center b-form
+C(=O)[Fe](C=O)(C#N)O(=O)[Ni]	NFC	ni-fe active center a-form
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc(nc5N)F)O)O)O)O)C(=O)N	NFD	nicotinamide 2-fluoro-adenine dinucleotide
+C(=O)=[Fe](=C=O)(SO)S[Ni]	NFE	ni-fe active center
+CCOc1ccc2ccccc2c1C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	NFF	(2r,4s)-2-[(1r)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F	NFG	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-glucopyranoside
+CC(C)C[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C	NFH	n~2~-[(2r)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-n,3-dimethyl-l-valinamide
+CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O	NFJ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[(2-ethylbutyl)({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O	NFK	n'-formylkynurenine
+c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F	NFL	2-{[3-(trifluoromethyl)phenyl]amino}nicotinic acid
+Cc1ncc(c(n1)N)CNC=O	NFM	n-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide
+CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-]	NFN	6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
+C(=O)[Fe](C=O)(C#N)O[Ni]	NFO	ni-fe oxidized active center
+c1ccc(cc1)CC[C@@H](/C=C/S(=O)(=O)c2ccccc2)N	NFP	(1e,3s)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
+[H]/N=C/N[C@@H](CC(=O)O)C(=O)O	NFQ	n-[(e)-iminomethyl]-l-aspartic acid
+C(=O)[Fe](C=O)(C#N)[Ni]	NFR	ni-fe reduced active center
+S1[Fe][S]2[Fe]3[S]4[Fe]2[S@]5[Fe]4[S@@]3[Ni]51	NFS	fe(4)-ni(1)-s(5) cluster
+CC(C)C[C@@H](C(=O)NCCN)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N)C(F)(F)F	NFT	n-(2-aminoethyl)-n~2~-{(1s)-1-[4'-(aminosulfonyl)biphenyl-4-yl]-2,2,2-trifluoroethyl}-l-leucinamide
+C(=O)[Fe](C#N)(C#N)[Ni]	NFU	formyl[bis(hydrocyanato-1kappac)]ironnickel(fe-ni)
+C(#N)[Fe](C#N)(C#O)O[Ni]	NFV	ni-fe oxidized active center
+CN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	NFW	(2s)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1c2c(c(c(c1F)N3CC[C@H](C3)N)Cl)N(C=C(C2=O)C(=O)O)C4CC4	NFX	7-[(3r)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(oc1\C=N\NC(=O)N)[N+](=O)[O-]	NFZ	nitrofurazone
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O	NG1	2-acetamido-2-deoxy-1-o-phosphono-alpha-d-galactopyranose
+CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C	NG2	n-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)NC(=NC2=O)N	NG3	3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate)
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O	NG4	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccnc6c5nccc6	NG5	~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O	NG6	2-acetamido-2-deoxy-6-o-sulfo-beta-d-galactopyranose
+CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3cccc(c3)c4ccc5c(n4)sc(n5)NC(=O)C6CC6	NG7	3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-n-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide
+[B-]1(n2c(cc(c2Cc3n1c(cc3)CCC(=O)NCC)C)C)(F)F	NG8	3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{n}-ethyl-propanamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O	NGA	2-acetamido-2-deoxy-beta-d-galactopyranose
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	NGB	4-nitrophenyl 6-o-beta-d-glucopyranosyl-beta-d-glucopyranoside
+C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O	NGC	n-glycolyl-alpha-neuraminic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O)C(=O)N	NGD	3-(aminocarbonyl)-1-[(2r,3r,4s,5r)-5-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihyd roxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2- yl]pyridinium
+C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O	NGE	n-glycolyl-beta-neuraminic acid
+C([C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O	NGF	3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-d-galacto-non-2-ulosonic acid
+CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC	NGH	n-isobutyl-n-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid
+CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O	NGI	2-[p-(2-carboxyethyl)phenylethyl-amino]-5'-n-ethylcarboxamido adenosine
+CCC1=Cc2c(cccc2N)C(=O)N1	NGJ	5-amino-3-ethylisoquinolin-1(2h)-one
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)OS(=O)(=O)O)O	NGK	2-acetamido-2-deoxy-4-o-sulfo-alpha-d-galactopyranose
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O	NGL	acetylgalactosamine-4-sulfate
+C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)N(C)C)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC	NGM	nogalamycin
+[NH4+]	NGN	nitrogen
+CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO)O)O	NGO	2-methyl-4,5-dihydro-(1,2-dideoxy-alpha-d-glucopyranoso)[2,1-d]-1,3-oxazole
+C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](C3=CC4C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[NH+](C)C)O)O)C(=O)C4=C(C23)O)C(=O)OC)(C)O)OC)(C)OC)OC	NGP	nogalamycin (protonated form)
+[H]/N=C(\N)/N[C@@H](CCC(=O)O)C(=O)O	NGQ	n-carbamimidoyl-l-glutamic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	NGR	3-o-alpha-d-glucopyranosyl-alpha-d-glucopyranose
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O	NGS	2-acetamido-2-deoxy-6-o-sulfo-beta-d-glucopyranose
+CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	NGT	3ar,5r,6s,7r,7ar-5-hydroxymethyl-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]thiazole-6,7-diol
+C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[N@@](C)CO)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC	NGU	u-58872, hydroxy derivative of nogalamycin
+CC1=C(c2cc3c(c(c2C(=O)C1)O)C(=O)c4c(cccc4O)C3=O)C(=O)OC	NGV	methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate
+C[C@H]1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	NGW	(2s,3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1h-pyrano[3,2-d][1,3]thiazole-6,7-diol
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O	NGY	2-acetamido-2-deoxy-6-o-sulfo-alpha-d-glucopyranose
+CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1O)CO)O)O	NGZ	2-acetamido-2-deoxy-alpha-l-glucopyranose
+[NH]	NH	amino substitution group
+Cc1cc(c(cc1N)C(C)(C)C)SC2=C(C[C@@](OC2=O)(CCc3ccc(cc3)O)C4CCCC4)O	NH1	3-(4-amino-2-tert-butyl-5-methyl-phenylsulfanyl)-6-cyclopentyl-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one
+[NH2]	NH2	amino group
+N	NH3	ammonia
+[NH4+]	NH4	ammonium ion
+c1cc(c(cc1CCNCCC(=O)N(CCNCCc2ccc(c3c2OCC(=O)N3)O)C4CCCCC4)Cl)Cl	NH5	n-cyclohexyl-n~3~-[2-(3,4-dichlorophenyl)ethyl]-n-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide
+c1ccc(cc1)CNS(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4	NH6	~{n}1-[(4-chlorophenyl)methyl]-~{n}1-cyclopentyl-~{n}4-(phenylmethyl)benzene-1,4-disulfonamide
+Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3cc4cc(cc(c4o3)c5ccccc5)C(=O)NN6CCOCC6)O	NH7	2-[(s)-(4-chlorophenyl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]-n-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide
+Cn1cncc1[C@@](c2ccc(cc2)C#N)(c3cc4cc(cc(c4o3)c5cccc(c5)C#N)[N+](=O)[O-])O	NH8	3-{2-[(s)-(4-cyanophenyl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N[C@H](C)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O	NH9	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3r)-4-({3-[(2-{[(1s)-1-{[(2r,3s,4s,5r,6r)-4,5-dihydroxy-6-{[(r)-hydroxy{[(r)-hydroxy{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)oxolan-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}-2-methyloxan-3-yl]amino}ethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
+CN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c2ccc(s2)c3ccccn3	NHB	n-hydroxy-4-(methyl{[5-(2-pyridinyl)-2-thienyl]sulfonyl}amino)benzamide
+C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O	NHC	(1r,2s,3r,4s)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5O)O)O)O)O)C(=O)N	NHD	nicotinamide purin-6-ol-dinucleotide
+C1CCC(CC1)NCCS(=O)(=O)O	NHE	2-[n-cyclohexylamino]ethane sulfonic acid
+C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O	NHF	1,5-anhydro-d-fructose
+C[C@@]12CCN[C@@H]1Nc3c2cc(cc3)O	NHG	bis-noreseroline
+C1CC(=NN=C(N)N)CCC1=NN=C(N)N	NHH	n'-{4-[2-(diaminomethylidene)hydrazono]cyclohexyliden}aminomethanehydrazonamide
+c1cc(ccc1C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	NHI	4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid
+c1cc(cc(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N)C(F)(F)F	NHJ	4-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide
+COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO	NHK	n-hydroxy-n~2~-(2-hydroxyethyl)-n~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
+c1ccc2cc(ccc2c1)C[C@@H](C[C@H](C(=O)O)N)C(=O)O	NHL	(4s)-4-(2-naphthylmethyl)-d-glutamic acid
+CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	NHM	s-(2-oxo)pentadecylcoa
+CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N(C)C)NC(=O)[C@@H]2CC3CN2C(=O)[C@@H](NC(=O)CCc4cccc(c4)OCCO3)C5CCCCC5	NHN	(6r,8s,11s)-11-cyclohexyl-n-(1-{[(2-{[(1s)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamide
+c1c[n+](cc(c1[C@@H](C(=O)C[C@@H](C(=O)O)N)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NHO	nicotinamide-adenine-dinucleotide-5-hydroxy-4-oxonorvaline
+c1ccc(c(c1)N)SCCCCP(=O)(O)O	NHP	4-(2-aminophenylthio)-butylphosphonic acid
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCNCCCCNCCCN)O	NHQ	(3r)-27-amino-3-hydroxy-2,2-dimethyl-4,8,14-trioxo-12-thia-5,9,15,19,24-pentaazaheptacos-1-yl [(2s,3r,4s,5s)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1cc(ccc1[C@@H](Cc2ccc3c(c2)c(nc(n3)N)O)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	NHR	2-{4-[2-(2-amino-4-hydroxy-quinazolin-6-yl)-1-carboxy-ethyl]-benzoylamino}-pentanedioic acid
+c1cc(ccc1[C@H](Cc2ccc3c(c2)C(=O)NC(=N3)N)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	NHS	10-formyl-5,8,10-trideazafolic acid
+CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	NHT	(3ar,5r,6s,7r,7ar)-2-(ethylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N	NHU	2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide
+c1ccc(cc1)NCc2c[n+]3c([nH]2)[C@H]([C@H]([C@@H]([C@H]3CO)O)O)O	NHV	(5r,6r,7s,8r)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium
+CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	NHW	2-oxopentadecyl-coa
+C[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)CC(=O)NO	NHX	n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-naphthalen-2-yl-l-alanyl-l-alaninamide
+C(=O)(N)NO	NHY	n-hydroxyurea
+[Ni+2]	NI	nickel (ii) ion
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)S(=O)(=O)N3CCN(CC3)C	NI0	5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+[OH2][Ni+2]	NI1	nickel ion, 1 water coordinated
+[OH2][Ni+2][OH2]	NI2	nickel (ii) ion, 2 waters coordinated
+[OH2][Ni+2]([OH2])[OH2]	NI3	nickel (ii) ion, 3 waters coordinated
+CCCOc1ccc(cc1C2=NC3=C(CCC3)C(=O)N2)S(=O)(=O)N4CCN(CC4)C	NI5	2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4h-cyclopenta[d]pyrimidin-4-one
+c1cc(cc(c1)O)CN2[C@H]3CNC[C@@H]3N(C(=O)C2=O)Cc4cccc(c4)O	NI7	(4as,7as)-1,4-bis(3-hydroxybenzyl)hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione
+c1cc(cc(c1)CO)CN2[C@H]3CNC[C@@H]3N(C(=O)C2=O)Cc4cccc(c4)CO	NI8	(4as,7as)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione
+c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F	NI9	3-fluoro-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-]	NIA	((2r,3s,4r,5r)-5-(5-amino-4-nitro-1h-imidazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
+C([C@@H]([C@H](C(=O)O)O)[N+](=O)[O-])C(=O)O	NIC	nitroisocitric acid
+c1cc2c(c(c1)[N+](=O)[O-])C=CC2=O	NID	4-nitro-inden-1-one
+CC[N+](=O)[O-]	NIE	nitroethane
+CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3	NIF	2-ethyl-7-piperazin-1-yl-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
+[H]/N=C\N[C@@H](CCC(=O)O)C(=O)O	NIG	n-(iminomethyl)-l-glutamic acid
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO	NIH	2-{[3,5-bis(trifluoromethyl)benzyl]amino}-n-hydroxy-6-oxo-1,6-dihydropyrimidine-5-carboxamide
+CN(C)CCCN1C(=O)c2cc(c3c4c2c(c(cc4C(=O)N(C3=O)CCCN(C)C)NCCCO)C1=O)NCCCO	NII	2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
+[OH2][Ni+2]([OH2])([OH2])([OH2])[OH2]	NIK	pentaaquanickel
+Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	NIL	nilotinib
+CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]	NIM	4-nitro-2-phenoxymethanesulfonanilide
+c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]	NIN	dinitrophenylene
+c1cc(cnc1)C(=O)O	NIO	nicotinic acid
+c1c(cc(c(c1[N+](=O)[O-])O)I)CC(=O)NCCCCCC(=O)[O-]	NIP	4-hydroxy-5-iodo-3-nitrophenylacetyl-epsilon-aminocaproic acid anion
+CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N	NIQ	6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1h,3h)-dione
+C[C@@H]1[C@H]([C@H](C(O1)N2CC=CC(C2)C(=O)N)O)O	NIR	3-(aminocarbonyl)-1-[(3r,4s,5r)-3,4-dihydroxy-5-methyltetrahydro-2-furanyl]pyridinium
+CC(C)[N+](=O)[O-]	NIS	2-nitropropane
+c1cc(ccc1N)[N+](=O)[O-]	NIT	4-nitroaniline
+CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCC3)OC2=O)O	NIU	6,7,8,9-tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[b]pyran-2-one
+Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4	NIV	nevirapine
+Cc1c(c(c(c(n1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC	NIW	2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
+CCN1C=C(C(=O)c2c1nc(cc2)C)C(=O)O	NIX	nalidixic acid
+c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O	NIY	meta-nitro-tyrosine
+c1cnccc1C(=O)NN	NIZ	pyridine-4-carbohydrazide
+CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O	NJ1	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6cnccc6n5	NJ2	~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide
+C[C@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O	NJ4	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CCCC(=O)NCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	NJ5	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{s},6~{r})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O	NJ7	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+CCCc1ccc(c(c1)O)Oc2ccc(cc2Cl)C#N	NJ8	3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
+C[C@@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O	NJA	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3Cl)C4CC(C4)NC(=O)c5ccnc6c5nccc6	NJB	~{n}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
+COc1nc(nc(n1)Nc2ccc3c(c2)cn[nH]3)NCCc4c[nH]c5c4cccc5	NJD	n-(1h-indazol-5-yl)-n'-[2-(1h-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O	NJG	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+c1ccc(c(c1)n2c(nnc2C34CC(C3)(C4)NC(=O)c5ccccn5)c6ccncn6)Cl	NJH	~{n}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
+CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O	NJJ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6c(n5)cccn6	NJK	~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	NJM	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3)C4CC(C4)NC(=O)c5ccnc6c5nccc6	NJN	~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
+c1c(c[n+](cc1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N	NJP	5-hydroxy-nicotinamide-adenine-dinucleotide phosphate
+c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O	NJQ	3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid
+C/C(=C/C(=O)SCCN[C@H](CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O)/C(=O)O	NJS	itaconyl coenzyme a
+CCCN1c2cccnc2Nc3cc(ccc3C1=O)Cl	NJT	9-chloranyl-5-propyl-11~{h}-pyrido[2,3-b][1,4]benzodiazepin-6-one
+Cc1cc(c(cc1n2cc(nc2)C3CC3)C(=O)Nc4cccc(n4)c5nncn5C(C)C)F	NJV	5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-4-methyl-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide
+c1ccc(cc1)/C(=C/2\[C@H](N(C(=O)C2=O)c3ccc(c(c3)C(=O)O)O)c4ccc(cc4)[N+](=O)[O-])/N	NJW	5-[(2~{s},3~{r})-3-[(~{r})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid
+Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC#C[Si](C)(C)C)C(=O)C3=C(CCCC3=O)O	NJX	1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione
+CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C	NJY	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+[H]/N=C(\SCc1cc(cc(c1)CS/C(=N/[H])/N)Br)/N	NJZ	[3-bromanyl-5-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate
+c1ccc(c(c1)C=O)O	NK	salicylaldehyde
+Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5	NK0	3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-n-cyclopropyl-4-methylbenzamide
+C1C[C@@H]([C@H]2[C@@H]([C@@H](C[S@+]2C1)O)O)O	NK1	(1r,5s,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-5,7,8-triol
+C1CC[S@@+]2C[C@H]([C@H]([C@@H]2C1)O)O	NK2	(1r,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-7,8-diol
+CCCCCCCCCCCCCCCCC[C@H]1CN([C@H](C(=O)N([C@@H]1C(=O)O)C)[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CN)O)O)C	NK4	(5s)-5'-o-(5-amino-5-deoxy-beta-d-ribofuranosyl)-5'-c-[(2s,5s,6s)-5-carboxy-6-heptadecyl-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]uridine
+c1ccc(cc1)n2cc(nn2)C(=O)NO	NK5	~{n}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide
+c1cc(ccc1CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)C(F)(F)F	NK7	4-{[4-(trifluoromethyl)benzyl][(3s,4s)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide
+c1cc(ccc1CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)C(=O)N	NK8	4-({(3s,4s)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide
+c1cc(ccc1CN([C@H]2CNC[C@@H]2NCc3cc(cc(c3)O)O)S(=O)(=O)c4ccc(cc4)C(=O)N)C(F)(F)F	NK9	4-({(3s,4s)-4-[(3,5-dihydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C	NKA	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+c1c2c(c(c(c1Br)Br)Br)[nH]nn2	NKB	5,6,7-tris(bromanyl)-1~{h}-benzotriazole
+C[C@@H]([C@@H](C(=O)N/C=C\1/[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)NC(=O)[C@H](CCSC)NC(=O)N[C@@H](Cc3cccc(c3)O)C(=O)O)N(C)C(=O)[C@H](Cc4cccc(c4)O)N	NKD	(2~{s})-2-[[(2~{s})-1-[[(2~{s},3~{s})-3-[[(2~{s})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{z})-[(3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
+c1cc(c2c(c1Br)[nH]nn2)Br	NKE	4,7-bis(bromanyl)-1~{h}-benzotriazole
+c1ccc2c(c1)cccc2c3ccc(c(n3)C(=O)NCC(=O)O)O	NKG	n-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine
+COc1cc(c(cc1Cl)OC)NC(=O)c2cccc3c2nccc3	NKH	n-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide
+c1ccc2c(c1)C(=O)N[C@H](N2)c3ccc(cc3)Cl	NKI	(2s)-2-(4-chlorophenyl)-2,3-dihydro-1h-quinazolin-4-one
+C[C@H]1CCCOc2ccccc2C(=O)Nc3cccc(n3)-c4n1cnn4	NKJ	(19s)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9h)-one
+[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)c1ccc2ccccc2c1	NKK	n~2~-(naphthalen-2-ylcarbonyl)-l-lysyl-n-[(1s)-4-carbamimidamido-1-formylbutyl]-l-lysinamide
+CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)N[C@H]3CCCCNC3=O)O)O)N4C=CC(=O)NC4=O)O	NKM	(2~{s},3~{s},4~{s})-2-[(1~{r})-2-azanyl-1-[(2~{s},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-3,4-bis(oxidanyl)-~{n}-[(3~{s})-2-oxidanylideneazepan-3-yl]-3,4-dihydro-2~{h}-pyran-6-carboxamide
+CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	NKN	(2r)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	NKO	(2r)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	NKP	(2r)-2-hydroxy-3-(phosphonooxy)propyl (9e)-octadec-9-enoate
+CC/C=C\C/C=C\C/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	NKQ	(2r)-2-hydroxy-3-(phosphonooxy)propyl (9e,12z,15z)-octadeca-9,12,15-trienoate
+CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C/C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)O	NKR	(2r)-2-hydroxy-3-(phosphonooxy)propyl (4z,7e,10e,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenoate
+Cc1ccc(cc1)OC(=O)N(Cc2cccc(c2)OCc3c(oc(n3)c4ccc(cc4)Cl)C)CC(=O)O	NKS	n-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-n-[(4-methylphenoxy)carbonyl]glycine
+c1cc(c(c2c1nn[nH]2)Br)Br	NKT	6,7-bis(bromanyl)-1~{h}-benzotriazole
+CC(C)C(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	NKV	n-(2-methylpropanoyl)adenosine
+c1cc2c(cc1Br)[nH]nn2	NKW	6-bromanyl-1~{h}-benzotriazole
+CCN([C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C)C(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]	NKX	(2s)-2,3-bis(nitrooxy)propyl ethyl[(4s,6s)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran-4-yl]carbamate
+CNC(=O)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)OC)N	NKY	3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1h-1,2,4-triazol-3-yl]amino}-n-methylbenzamide
+c1cc2c(c(c1)Br)[nH]nn2	NKZ	7-bromanyl-1~{h}-benzotriazole
+c1c(cc(c2c1nn[nH]2)Br)Br	NL2	5,7-bis(bromanyl)-1~{h}-benzotriazole
+c1cc2cc(sc2c(c1)Cl)c3ccc4ccn(c4c3)Cc5cc([nH]n5)C(=O)O	NL3	3-{[6-(7-chloro-1-benzothiophen-2-yl)-1h-indol-1-yl]methyl}-1h-pyrazole-5-carboxylic acid
+Cc1c(cn(n1)C)c2[nH]c3c(c(cnc3n2)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N(C)C	NL4	3-((4-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)-1h-pyrazol-1-yl)methyl)-n,n-dimethylbenzamide
+CC(C)OCc1c(nn[nH]1)CCS(=O)(=O)c2ccccc2	NL5	4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{h}-1,2,3-triazole
+COc1cc(cnc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O	NL7	4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
+CN(c1ccc(cc1)C(=O)N)C(=O)c2ccc(cc2O)O	NL8	~{n}-(4-aminocarbonylphenyl)-~{n}-methyl-2,4-bis(oxidanyl)benzamide
+B(c1cnn(c1)c2cccc(c2)Cl)(O)O	NL9	[1-(3-chlorophenyl)-1h-pyrazol-4-yl]boronic acid
+c1ccc2c(c1)cccc2CC(=O)O	NLA	naphthalen-1-yl-acetic acid
+c1ccc(cc1)COCCCC[C@@H](C(=O)O)N	NLB	6-(benzyloxy)-l-norleucine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O	NLC	2-(acetylamino)-2-deoxy-4-o-beta-d-galactopyranosyl-alpha-d-glucopyranose
+CCNC(=O)CCC(=O)OC[C@@H]1CCN([C@H]1c2cccnc2)C	NLD	nicotine-11-yl-methyl-(4-ethylamino-4-oxo)-butanoate
+CCCC[C@@H](C(=O)O)N	NLE	norleucine
+CC(=O)N[C@@H](CCC(=O)O)C(=O)O	NLG	n-acetyl-l-glutamate
+CCCC[C@H](CC([C@H](CCCC)N)(O)O)C(=O)O	NLH	(2r,5s)-5-amino-2-butyl-4,4-dihydroxynonanoic acid
+[H]/N=C(\N)/NOCCNC(=O)CN1C(=CN=C(C1=O)NCC(c2ccccc2)(F)F)C	NLI	n-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2h)-yl}acetamide
+COc1c(cccn1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O	NLJ	4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
+CCCC[C@H](CC(=O)[C@H](CCCC)N)C(=O)O	NLK	(2r,5s)-5-amino-2-butyl-4-oxononanoic acid
+c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O)Cl	NLM	4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
+CCCC[C@@H](C(=O)N)N	NLN	norleucine amide
+CCCC[C@@H](C(=O)OC)N	NLO	o-methyl-l-norleucine
+CCCC[C@H](N)P(=O)(O)O	NLP	(1-amino-pentyl)-phosphonic acid
+CC(=O)N[C@@H](CCC(=O)N)C(=O)O	NLQ	n~2~-acetyl-l-glutamine
+c1cc(nc(c1)F)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O	NLS	4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
+CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O	NLT	n-dodecanoyl-l-tyrosine
+c1cc(nc(c1)Cl)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O	NLV	4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N)N	NLW	l-leucinamide
+C[N@@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O)CC=C	NLX	(5a,17r)-4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxo-17-(2-propenyl)-morphinanium
+C(CCNCC(=O)O)CN	NLY	n-(4-aminobutyl)glycine
+c1cc(c(cc1O)O)C(=O)N	NLZ	2,4-bis(oxidanyl)benzamide
+CNC(=O)c1cccc(c1)C[N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5	NM1	3-(7-benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis-phenoxymethyl-1l6-[1,2,7]thiadiazepan-2-ylmethyl)-n-methyl-benzamide
+C[N+](C)(C)CCCC(=O)O	NM2	3-carboxy-n,n,n-trimethylpropan-1-aminium
+CC[N+](C)(C)CCCC(=O)O	NM3	ethyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium
+COc1cc(c(cc1c2cn3ccc(cc3n2)N4CC[C@@H](C4)NCc5ccncc5)Cl)OC	NM4	(3s)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-n-[(pyridin-4-yl)methyl]pyrrolidin-3-amine
+C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	NM6	2-acetamido-3-o-[(2r)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-d-glucopyranose
+c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F	NM7	2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
+CCN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3cccc4c3ccc(c4)c5ccc(o5)/C=C\6/C(=O)NC(=O)S6)C(F)(F)F	NM8	6-{5-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-n-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide
+C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C	NM9	methyl 2-acetamido-3-o-[(2r)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-d-glucopyranoside
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(C)C(=O)O)O	NMA	n-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-2-methylalanine
+c1ccc(cc1)C[N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5	NMB	2,7-dibenzyl-1,1-dioxo-3,6-bis-phenoxymethyl-[1,2,7]thiadiazepane-4,5-diol
+C1CC1CNCC(=O)O	NMC	n-cyclopropylmethyl glycine
+COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4NCc5cccc6c5cccc6)CO)O	NMD	n-naphthalen-1-ylmethyl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine
+CN	NME	methylamine
+CC1=C(N(C(=O)NC1=O)C)C[C@H](CO)CF	NMF	6-[(2r)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione
+[H]/N=C(/N)\NCC(=O)O	NMG	guanidino acetate
+CCCCC[C@@H](C)NC=O	NMH	(r)-n-(1-methyl-hexyl)-formamide
+Cn1cc(c2c1cccc2)CCC(=O)O	NMI	3-(1-methyl-1h-indol-3-yl)propanoic acid
+c1c(nc(cn1)Cl)C(=O)O	NMJ	6-chloropyrazine-2-carboxylic acid
+CN[C@@H](CCCC[NH3+])C(=O)O	NMK	n-methyl lysine
+CC(=O)NC	NML	n-methylacetamide
+[H]/N=C(/NC)\NCCC[C@@H](C(=O)O)N	NMM	(2s)-2-amino-5-[(n-methylcarbamimidoyl)amino]pentanoic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N	NMN	beta-nicotinamide ribose monophosphate
+[N]=O	NMO	nitrogen monoxide
+C[C@@H](C(=O)NCCCS)NC(=O)CNC(=O)[C@@H](C1CCCCC1)NC(=N)N	NMP	2-[2-(2-cyclohexyl-2-guanidino-acetylamino)-acetylamino]-n-(3-mercapto-propyl)-propionamide
+[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCC[N@@](C)c1ccccc1[N+](=O)[O-])(F)(F)F	NMQ	n-methyl o-nitrophenyl aminoethyldiphosphate beryllium trifluoride
+B(=O)(c1cc(cc(c1)Cl)Cl)O	NMR	[3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(=O)NC	NMS	1-(o2-(2-methylamino-2-oxo-ethyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC(NC)O	NMT	1-(o2-(methylcarbamoyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymine
+CNC(=O)N	NMU	n-methylurea
+COc1cc2c(cc1OC)[C@H](N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4	NMW	[2,4-bis(oxidanyl)phenyl]-[(1~{s})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{h}-isoquinolin-2-yl]methanone
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCC[N+](=O)[O-])O	NMX	nitromethyldethia coenzyme a
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N	NMY	neomycin
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)CN)O)O)N)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CN)F)O)N)N	NMZ	(2s)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-3-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide
+CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2)S(=O)(=O)C)Oc4ccc(cc4Cl)F	NN1	2-(2-chloro-4-fluorophenoxy)-2-methyl-n-[(1r,2s,3s,5s,7s)-5-(methylsulfonyl)-2-adamantyl]propanamide
+c1ccc2c(c1)N=C(NS2(=O)=O)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O	NN2	1-(2-cyclopropylethyl)-3-(1,1-dioxido-2h-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxyquinolin-2(1h)-one
+CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C	NN3	3-{isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-phenylthiophene-2-carboxylic acid
+CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2)C(=O)N)Oc4ccc(cc4)OC	NN4	(1s,3r,4s,5s,7s)-4-{[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino}adamantane-1-carboxamide
+Cc1cc(cc(c1O)C)c2ccc3nc(nn3c2)Nc4ccc(cc4)C(=O)N5CCOCC5	NN5	[4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone
+Cc1cc(c(c(c1)C)S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3c4ccc(cc4)F)C	NN7	n-[(2s)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide
+COc1cc2c(cc1OC)[C@@H](N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4	NN8	[2,4-bis(oxidanyl)phenyl]-[(1~{r})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{h}-isoquinolin-2-yl]methanone
+CCCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C	NNA	(1r,2s,5s)-3-[n-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-l-valyl]-n-{(1s)-1-[(1r)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Br	NNB	o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate
+c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Cl	NNC	o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate
+CCCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O	NND	(2r,3r,4r,5s)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)NCCCCNC(=O)COc2ccc(c(c2Cl)Cl)C(=O)C(=C)CC	NNE	n,n'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide}
+CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F	NNF	2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3h)-one
+C[P@@](=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O	NNG	2-deoxy-2-{[(s)-hydroxy(methyl)phosphoryl]amino}-6-o-phosphono-alpha-d-glucopyranose
+[H]/N=C(/NCC[C@@H](C(=O)O)N)\NO	NNH	nor-n-omega-hydroxy-l-arginine
+c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)I	NNI	o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate
+C[n+]1cccc(c1)CN	NNJ	3-(aminomethyl)-1-methylpyridinium
+C[n+]1ccc(cc1)CN	NNK	4-(aminomethyl)-1-methylpyridinium
+Cc1cc(c2nncn2n1)NCCc3ccc(cc3)Cl	NNL	n-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine
+C[C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O	NNM	(3r)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate
+CC[C@H](CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C	NNN	(2r)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol
+c1cc([n+](cc1C(=O)O)[O-])O	NNO	6-hydroxyisonicotinic acid n-oxide
+CCCCCCCCCC1=CC(=O)c2ccccc2N1	NNQ	2-nonylquinolin-4(1h)-one
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	NNR	nicotinamide riboside
+CC(=O)Nc1ccc(cc1)O	NNS	4-acetyl-aminophenol
+C[n+]1ccc(c(c1)CN)Cl	NNT	3-(aminomethyl)-4-chloro-1-methylpyridinium
+c1cncc(c1Cl)CN	NNU	1-(4-chloropyridin-3-yl)methanamine
+C1C=CC2=NC3=C(C=CC[C@H]3C(=O)O)NC2[C@@H]1C(=O)O	NNV	(1r,5as,6r)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid
+c1cnccc1CN	NNW	1-(pyridin-4-yl)methanamine
+C[n+]1ccc(cc1CN)Cl	NNX	2-(aminomethyl)-4-chloro-1-methylpyridinium
+c1cnc(cc1Cl)CN	NNY	1-(4-chloropyridin-2-yl)methanamine
+C[n+]1ccccc1CN	NNZ	2-(aminomethyl)-1-methylpyridinium
+[N]=O	NO	nitric oxide
+Cc1c2c(cccc2[nH]c1C(=O)O)CO	NO1	4-(hydroxymethyl)-3-methyl-1h-indole-2-carboxylic acid
+N(=O)[O-]	NO2	nitrite ion
+[N+](=O)([O-])[O-]	NO3	nitrate ion
+c1ccc(cc1)CNCCC2=CCCCC2	NO4	n-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine
+CC(C)[C@@H](C(=O)O)NS(=O)(=O)N	NO5	(2~{s})-3-methyl-2-(sulfamoylamino)butanoic acid
+C#CCNc1c2c(ncn1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	NO7	9-{5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-alpha-d-ribofuranosyl}-n-(prop-2-yn-1-yl)-9h-purin-6-amine
+C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C	NO8	(2~{s})-~{n}-[2-[[(2~{s})-1-[[(2~{s},3~{r})-3-[(2~{s},3~{r},4~{r},5~{r},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{s})-1-[(2~{s})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{s})-2-azanylpropanoyl]pyrrolidine-2-carboxamide
+Cc1c(c(c(o1)C)S(=O)(=O)N)C(=O)O	NO9	2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid
+c1ccc2c(c1)cccc2OCC(=O)O	NOA	naphthyloxyacetic acid
+[Li]OB(O)OB(O)O	NOB	(dihydroxyboranyloxy-hydroxy-boranyl)oxylithium
+c1nc(c2c(n1)n(cn2)[C@@H]3CC([C@@H]([C@H]3O)O)CO)N	NOC	3-(6-amino-purin-9-yl)-5-hydroxymethyl-cyclopentane-1,2-diol
+C[C@H]1[C@H](C(C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)NCCO)O	NOD	n-ethylhydroxy-doxorubicin
+CCN=O	NOE	nitrosoethane
+CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34	NOG	13-beta-ethyl-17-alpha-ethynyl-17-beta-hydroxygon-4-en-3-one
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NO)COP(=O)(O)O)O	NOH	2'-deoxy-n-hydroxycytidine 5'-(dihydrogen phosphate)
+C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O	NOJ	1-deoxynojirimycin
+CC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO	NOK	2-acetamido-1,2-dideoxynojirmycin
+C[C@H]([C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C	NOL	n-[(benzyloxy)carbonyl]-o-(tert-butyl)-l-threonyl-3-cyclohexyl-n-[(1s)-2-hydroxy-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}ethyl]-l-alaninamide
+C[C@H]1C2=C(C3[C@@H](O1)CC(=O)O3)C(=O)c4cccc(c4C2=O)O	NOM	7-hydroxy-5-methyl-3,3a,5,11b-tetrahydro-1,4-dioxa-cyclopenta[a]anthracene-2,6,11-trione
+CCCCCCCCC(=O)OC	NON	methyl nonanoate (ester)
+CCCCCCCC(=O)NC1=CC(=O)CCC1	NOO	n-(3-oxocyclohex-1-en-1-yl)octanamide
+Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O	NOP	pyridoxal-5'-phosphate-n-oxide
+COc1ccc(cc1)S(=O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCCN	NOQ	(1r,2r)-n-(2-aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide
+CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)N)O	NOR	cyclohexyl-norstatine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O	NOS	inosine
+C(CCN=[N+]=[N-])C[C@@H](C(=O)O)N	NOT	6-azido-l-norleucine
+Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O	NOV	novobiocin
+[H]/N=C\CNC(=O)[C@H](Cc1cccc(c1)C)NC(=O)c2cc(nn2C)C(C)(C)C	NOW	nalpha-[(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)carbonyl]-n-[(2z)-2-iminoethyl]-3-methyl-l-phenylalaninamide
+c1cc(ccc1CC[N+]2(CCCCC2)[O-])NC(=O)CCCC(=O)O	NOX	n-(para-glutaramidophenyl-ethyl)-piperidinium-n-oxide
+C1[C@@H]([C@H]([C@@H]([C@H](N1)O)O)O)CO	NOY	(2r,3s,4r,5r)-5-(hydroxymethyl)piperidine-2,3,4-triol
+C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO	NOZ	(2s,3s,4r,5r)-5-(hydroxymethyl)piperidine-2,3,4-triol
+c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)[O-])O	NP	4-hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid
+CCCNO	NP0	n-hydroxypropan-1-amine
+Cc1ccc(c(c1)[N+](=O)[O-])NCCCN	NP1	n-(3-aminopropyl)-4-methyl-2-nitrobenzenamine
+c1ccc(c(c1)NCCCN)[N+](=O)[O-]	NP2	n-(3-aminopropyl)-2-nitrobenzenamine
+c1cn(cc1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	NP3	1-[2-deoxy-ribofuranosyl]-1h-[3-nitro-pyrrol]-5'-phosphate
+c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C/CCOC2=O)O	NP4	(5z)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3h,11h)-dione
+c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C\CCOC2=O)O	NP5	(5e)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3h,11h)-dione
+CCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	NP6	[[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate
+CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+](=O)[O-]	NP7	2-chloro-n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
+CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4cc(cnc4)OC	NP8	5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
+c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O	NPA	2-(4-hydroxy-3-nitrophenyl)acetic acid
+B(c1cccc(c1)[N+](=O)[O-])(O)O	NPB	3-nitrophenylboronic acid
+c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)[O-])O	NPC	4-hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid anion
+C[C@@H](Cc1cccc2c1cccc2)C=O	NPD	2-methyl-3-naphthalen-1-yl-propionaldehyde
+c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCCC(=O)O)[O-]	NPE	5-(para-nitrophenyl phosphonate)-pentanoic acid
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O)O	NPF	2-nitrophenyl beta-d-fucopyranoside
+c1ccc(cc1)[C@H](C(=O)O)NC(=O)CCC(=O)O	NPG	n-succinyl phenylglycine
+c1cc2cc(c3cccnc3c2nc1)NC(=O)CSC[C@@H](C(=O)O)N	NPH	cysteine-methylene-carbamoyl-1,10-phenanthroline
+C(CCC(=O)O)C[C@@H](C(=O)O)N	NPI	(2s)-2-aminoheptanedioic acid
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	NPJ	4-nitrophenyl 4-o-alpha-d-glucopyranosyl-alpha-d-galactopyranoside
+C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N3[C@H]4CS[C@@H]([C@H]4NC3=O)CCCCC(=O)O	NPK	5-[(3as,4r,6ar)-1-{[(1r)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid
+Cc1c(c(c(c[n+]1C)COP(=O)(O)O)CN)O	NPL	n-methyl-4-deoxy-4-amino-pyridoxal-5-phosphate
+c1ccnc(c1)\C=N\c2ccc(cc2)Cc3ccc(cc3)/N=C/c4ccccn4	NPM	n-[(1e)-pyridin-2-ylmethylene]-n-[4-(4-{[(1e)-pyridin-2-ylmethylene]amino}benzyl)phenyl]amine
+CCC[N+]#[C-]	NPN	n-propyl isocyanide
+c1cc(ccc1[N+](=O)[O-])O	NPO	p-nitrophenol
+CC1(CC(CC(N1[O-])(C)C)Nc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCCN)C	NPP	n-(2-amino-ethyl)-4,6-dinitro-n'-(2,2,6,6-tetramethyl-1-oxy-piperidin-4-yl)-benzene-1,3-diamine
+CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O	NPQ	n-acetyl naphthylalanine
+C1C(=NC2=C(N1)NC(=NC2=O)N)[C@@H]([C@@H](CO)O)O	NPR	2-amino-7,8-dihydro-6-(1,2,3-trihydroxypropyl)-4(1h)-pteridinone
+C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O	NPS	(2s)-2-(6-methoxynaphthalen-2-yl)propanoic acid
+CC(C)(C)CN	NPT	neopentylamine
+C[C@H]([C@@H](c1ccccc1)O)N	NPU	(1r,2r)-2-amino-1-phenylpropan-1-ol
+c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O	NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)OP(=O)(O)O)N	NPW	beta-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphate
+C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O	NPX	(2r)-2-(6-methoxynaphthalen-2-yl)propanoic acid
+c1ccc2ccccc2c1	NPY	naphthalene
+Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N	NPZ	1-methyl-3-naphthalen-2-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc2c(c1)C(=O)C=C(C2=O)O	NQ	2-hydroxynaphthoquinone
+c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F	NQ1	10-benzyl-8-fluoro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
+CC(C)(C1CCN(CC1)CCOc2cc(cc3c2COC3)c4cc(c(nc4)OC)NS(=O)(=O)C)O	NQ2	~{n}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide
+C1C[C@H](O[C@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	NQ4	[[(2~{r},5~{s})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+COCCS(=O)(=O)Nc1cc(cnc1OC)c2cc3c(c(c2)OC[C@H]4CN(CCO4)C5COC5)COC3	NQ5	2-methoxy-~{n}-[2-methoxy-5-[7-[[(2~{r})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide
+C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)N	NQ7	(5s)-2-amino-5-[(1r)-1-(1h-indol-3-yl)ethyl]-1,3-oxazol-4(5h)-one
+C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3CC2)C	NQ8	(5~{s},8~{s},9~{s},10~{s},13~{s},14~{s})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
+Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)NC5CC5	NQB	n-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]benzamide
+Cc1cc(cc2c1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C(=O)O)O	NQD	(2z,6e,10e)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid
+CN1c2ccc(cc2N(C1=O)C)Nc3c(cccn3)C#N	NQE	2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
+[H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CCC#N)NC(=O)[C@H](CC(=O)OCC)O	NQG	5-azanylidyne-n-[(2s)-4-ethoxy-2-hydroxy-4-oxobutanoyl]-l-norvalyl-l-arginyl-l-tryptophanamide
+c1cnc(c(c1NCC2CC2)C#N)Cl	NQH	2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CC=C)NC(=O)[C@@H](CC(=O)OCC)O	NQI	n~2~-[(2s)-2-{[(2r)-4-ethoxy-2-hydroxy-4-oxobutanoyl]amino}pent-4-enoyl]-l-arginyl-l-tryptophanamide
+Cc1cc(sc1S(=O)(=O)Nc2cc(ccc2Cl)C(F)(F)F)C(=O)N[C@H](Cc3ccccc3)C(=O)OC	NQJ	methyl n-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-d-phenylalaninate
+CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl	NQK	2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
+C(/C(=C\C(=O)O)/C(=O)O)C(=O)C(=O)O	NQM	(1e)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
+C[C@H](CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O	NQN	2-chloranyl-4-[[1-methyl-3-[(3~{r})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
+C[C@@H]1C(=O)N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)CCC=C	NQP	4-{[(3r)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O	NQQ	2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
+c1ccc2c(c1)C(=O)C=C(C2=O)SCCO	NQS	2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione
+Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C	NQT	5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
+C[C@@H]1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5CCN(CC5)C)C	NQV	4-{[(3r)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-n-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide
+C[C@@H]1CN(C[C@@H](O1)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl	NQW	5-[[5-chloranyl-2-[(2~{s},6~{r})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
+CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ccc4c(n3)N5CCCC[C@@H]5C(=O)N4C	NQY	3-methoxy-4-{[(6ar)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5h-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-n-(1-methylpiperidin-4-yl)benzamide
+C[C@@H]1CN(C[C@@H](C1(F)F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl	NQZ	5-[[2-[(3~{s},5~{r})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
+C1[C@@H]([C@H](C[NH2+]1)O)COP(=O)(O)O	NR1	(3r,4r)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium
+Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(cc2)S(=O)(=O)N	NR2	n-({[4-(aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O	NR3	(1s,2r,3s,4s)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O	NR4	(1s,2r,3s,4r)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
+CC1(CN(CC(O1)(C)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C	NR5	5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
+COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](CC4=O)c5cccc(c5)Cl	NR7	methyl [(5e,8s)-8-[(4s)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+CC[C@@H](CN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O	NR8	2-chloranyl-4-[[1-methyl-3-[(2~{s})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
+c1cc2cc(ccc2nc1)/C=C\3/C(=O)N=C(S3)NCc4cccs4	NR9	(5z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5h)-one
+c1c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O	NRA	norathyriol
+CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@@H](C(=O)[C@H](C(=O)O1)C)C)O[C@@H]2[C@@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C	NRB	narbomycin
+C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN	NRD	(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid
+C[C@H]1CC[C@H](N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(cn3)Br	NRE	[(2~{s},5~{s})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone
+CNC1=C(C(=O)N(N=C1)c2cccc(c2)C(F)(F)F)Cl	NRF	norflurazon
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-]	NRG	n-omega-nitro-l-arginine
+c1ccc2c(c1)c3ccncc3[nH]2	NRH	norharmane
+C1[C@@H]([C@H](CN1)O)COP(=O)(O)O	NRI	phosphoric acid mono-(4-hydroxy-pyrrolidin-3-ylmethyl) ester
+COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](OC4=O)c5cccc(c5)Cl	NRJ	methyl [(5e,8s)-8-[(6r)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+Cc1c(cnc(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F)c4cccc(c4)F	NRK	(1~{r},2~{s})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{n}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
+Cc1cc(sn1)Nc2c3ncc(n3ccn2)c4c[nH]nc4	NRM	n-(3-methylisothiazol-5-yl)-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N	NRN	(1s,2r,3s,4r)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
+CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O)[N+](=O)[O-]	NRO	3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid
+[H]/N=C(\CC(C)C)/C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O	NRP	{4-[(4-hydroxyphenyl)methylidene]-2-[(1e)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+[H]/N=C(/CCSC)\C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O	NRQ	{(4z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio)propanimidoyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CN(c1ccc2ccccc2c1)S(=O)(=O)c3ccc4c(c3)NC(=O)C(=O)N4	NRS	n-methyl-n-(naphthalen-2-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
+c1[nH]c2c(n1)c(nc(n2)N)OC[C@@H]3CCCO3	NRT	6-(tetrahydro-2-furanylmethoxy)-9h-purin-2-amine
+[NH3][Ru+3]([NH3])([NH3])([NH3])([NH3])[NH3]	NRU	ruthenium (iii) hexaamine ion
+CCN(CC)CCSc1nc2c(c3cc(ccc3n2C)F)nn1	NRV	n,n-diethyl-2-[(8-fluoro-5-methyl-5h-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine
+Cc1cc(on1)C(=O)N(C)Cc2cccnc2	NRW	n,3-dimethyl-n-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide
+c1cc2c([n+](ccn2c1)CC(=O)c3ccc(cc3)F)c4ccc(cc4)F	NRY	1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium
+Cc1cc(cc(c1)NC(=O)[C@@H]2CCCN2S(=O)(=O)c3ccc(cc3)OC)C	NRZ	(2~{s})-~{n}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide
+CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C	NS0	all-trans-1,2-dihydroneurosporene
+CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)/C)/C	NS1	15-trans-1,2-dihydroneurosporene
+Cc1c(ccc2c1[nH]c(n2)[C@@]3(CCCN3C(=O)c4cc(ccc4n5nccn5)OC)C)Cl	NS2	[(2~{s})-2-(6-chloranyl-7-methyl-1~{h}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone
+Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](N2)C4CCCC4	NS3	(3s)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]	NS4	n-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
+CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)/C)/C	NS5	15-cis-1,2-dihydroneurosporene
+CN1CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N[C@H](C3)C4CCCC4	NS6	(3r)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2-benzothiazine 1,1-dioxide
+Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](C2)C4CCCC4	NS7	(3r)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2-benzothiazine 1,1-dioxide
+c1ccc(cc1)/C=C/[N+](=O)[O-]	NS8	trans beta nitrostyrene
+CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@@H](CO)[C@@H](CO)O	NS9	(2s,3s)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol
+c1ccc(cc1)NC(=O)C(Cl)Cl	NSA	2,2-dichloro-n-phenyl-acetamide
+C[N+](C)(C)CCCS(=O)(=O)O	NSB	n,n,n-trimethyl-3-sulfopropan-1-aminium
+Cc1cc(c2cc(ccc2n1)NC(=O)Nc3ccc4c(c3)c(cc(n4)C)N)N	NSC	n,n'-bis(4-amino-2-methylquinolin-6-yl)urea
+C(CN)CNCCCN	NSD	n-(3-aminopropyl)propane-1,3-diamine
+c1cc(cc(c1)c2nc(no2)c3cccnc3)C#N	NSE	3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
+C[C@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O	NSG	(2s,3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1h-pyrano[3,2-d][1,3]thiazole-6,7-diol
+COc1ccc(cc1)c2c3ccccc3n(c2C(=O)NS(=O)(=O)c4ccccc4)Cc5cccc(c5)C(F)(F)F	NSI	3-(4-methoxyphenyl)-n-(phenylsulfonyl)-1-[3-(trifluoromethyl)benzyl]-1h-indole-2-carboxamide
+c1cc(cc(c1)O)CN2CCSCC2	NSJ	3-[(thiomorpholin-4-yl)methyl]phenol
+C(CCN)C[C@@H](C(=O)O)NC(=O)CCC(=O)O	NSK	n-succinyl lysine
+c1ccc(cc1)/N=N/c2ccc(cc2)O	NSL	4-hydroxyazobenzene
+CN=O	NSM	nitrosomethane
+CC(=[NH+][C@@H](CC(=O)[O-])C(=O)N)C(=O)N	NSN	n~2~-(2-amino-1-methyl-2-oxoethylidene)asparaginate
+Cc1ncc(c(n1)N)CN	NSP	5-(aminomethyl)-2-methylpyrimidin-4-amine
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS(=O)(=O)O)O)O)O	NSQ	4-nitrophenyl alpha-d-6-sulfoquinovoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)N)[NH3+])O)O)N	NSS	5'-o-[n-(l-asparaginyl)sulfamoyl]adenosine
+c1cc(cc(c1)[N+](=O)[O-])NS(=O)(=O)c2ccsc2C(=O)O	NST	3-{[(3-nitroaniline]sulfonyl}thiophene-2-carboxylic acid
+Cc1ncc(s1)CN2CCNCC2	NSV	1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine
+[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6	NSX	n~2~,n~6~-bis(biphenyl-4-ylacetyl)-l-lysyl-d-arginyl-n-(2-phenylethyl)-l-tyrosinamide
+[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6	NSY	n~2~,n~6~-bis(biphenyl-4-ylacetyl)-l-lysyl-d-arginyl-n-(2-phenylethyl)-l-phenylalaninamide
+[H]/N=C(/N)\NCCCC(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)C(CSC)NC(=O)Cc3ccc(cc3)c4ccccc4	NSZ	n-(biphenyl-4-ylacetyl)-s-methyl-l-cysteinyl-d-arginyl-n-(2-phenylethyl)-l-phenylalaninamide
+Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=N)N)NC(=O)CNC(=N)N	NT	netropsin
+COC[C@@H]1C[C@@H]([C@H](C(O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC)OC)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OC)OC)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4C(O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@H]6C(O)O)O[C@@H]7[C@H](OC[C@@H]([C@H]7OC)OS(=O)(=O)O)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)COC)OC)OC	NT1	heparin heptasaccharide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	NT2	2,3,4,6-tetra-o-sulfohexopyranose
+[H]/N=C(\N)/c1ccc(cc1)Oc2cc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N/[H])/N	NT4	n-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide
+Cc1ccc(c(c1)C(=O)N2C[C@@H](CC[C@H]2C)COc3ccc(cn3)F)c4ncccn4	NT5	[(2~{r},5~{r})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone
+Cc1cccc(c1C)NC(=O)CN2CCOCC2	NT7	n-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
+CCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O	NT8	(1-azanyl-1-phosphono-decyl)phosphonic acid
+C(C(=O)O)N(CC(=O)O)CC(=O)O	NTA	nitrilotriacetic acid
+CC(C)(C)N	NTB	tertiary-butylamine
+C(C(=O)O)[C@@](C[N+](=O)[O-])(C(=O)O)O	NTC	2-hydroxy-2-nitromethyl succinic acid
+c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O	NTD	2-{hydroxy[2-nitro-4-(trifluoromethyl)phenyl]methylene}cyclohexane-1,3-dione
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)/C=C/[N+](=O)[O-])C)CCC(=O)O	NTE	[3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(e)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~}dipro panoato(2-)]iron
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(F)(F)F)O)O)O)O	NTF	n-(trifluoroacetyl)-beta-d-glucopyranosylamine
+c1cc(ncc1N2CCCOCC2)C#N	NTG	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@H]34	NTH	succinic acid mono-(13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl) ester
+CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-]	NTI	2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate
+CCO[P@H](=O)N(C)C	NTJ	r-ethyl n,n-dimethylphosphonamidate
+CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC	NTK	2,3-di(butanoyloxy)propyl butanoate
+CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)NC(=O)C)N	NTL	n-[(2s,3r)-2-{[(1r,2s,3s,4r,6s)-6-amino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2h-pyran-3-yl]acetamide
+c1cc(c(nc1)C(=O)O)C(=O)O	NTM	quinolinic acid
+c1cnccc1C(=N)N	NTN	isonicotinamidine
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O	NTO	trisulfoamino heparin pentasaccharide
+CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]4C(=O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O	NTP	heparin pentasaccharide
+Cc1c2c(n[nH]1)NC(=O)C=C2C3CCC(CC3)NC(=O)[C@@H]4CC4(F)F	NTQ	(1~{s})-2,2-bis(fluoranyl)-~{n}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide
+c1cc(c(cc1[C@H](C(=O)O)N)O)O	NTR	meta-hydroxy beta nor-tyrosine
+c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-]	NTS	naphthalene trisulfonate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)COP(=O)(O)O)O	NTT	[(1r,5r,7r,8s)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate
+CS/C(=N\CCCCCCCCCCCCCCN=C(N)SC)/N	NTU	n1,n14-bis((s-methyl)isothioureido)tetradecane
+Cc1c(cccc1Cl)NC(=O)[C@@H]2CCCO2	NTV	(2s)-n-(3-chloro-2-methylphenyl)oxolane-2-carboxamide
+Cc1c2c([nH]n1)NC(=O)C=C2C3CCC(CC3)CC#N	NTW	2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile
+[H]/N=C(\N)/c1cc(ccc1)COc2cc(cc(c2)C(=O)NC3CCC(CC3)N)OCc4cc(ccc4)/C(=N/[H])/N	NTX	n-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide
+c1cc(ccc1[C@H](C(=O)O)N)O	NTY	beta nor-tyrosine
+C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O	NTZ	nojirimycine tetrazole
+CC1=Nc2c(cccc2O)C(=O)N1	NU1	8-hydroxy-2-methyl-3-hydro-quinazolin-4-one
+CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c2coc(n2)C)C(=O)N3CCOCC3)C4Cc5ccccc5C4	NU2	(3~{r},6~{r})-6-[(2~{s})-butan-2-yl]-3-(2,3-dihydro-1~{h}-inden-2-yl)-1-[(1~{r})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione
+c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N	NU3	2-(4-hydroxyphenyl)-1h-benzimidazole-4-carboxamide
+Cc1c(cco1)C(=O)Nc2ccncc2	NU4	2-methyl-n-(pyridin-4-yl)furan-3-carboxamide
+c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)CCNCCCO	NU5	3-({2-[(4-{[6-(cyclohexylmethoxy)-9h-purin-2-yl]amino}phenyl)sulfonyl]ethyl}amino)propan-1-ol
+c1cc(cc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)C(=O)N	NU6	3-[[6-(cyclohexylmethoxy)-9~{h}-purin-2-yl]amino]benzamide
+CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3nc(on3)C(F)(F)F)c4nc(cs4)c5ccccc5	NU7	n-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
+COc1cc(cnc1OC)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F	NU8	2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
+c1ccc(cc1)c2csc(n2)C3(CCOCC3)CNC(=O)c4cccc(c4)c5nc(on5)C(F)(F)F	NU9	n-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2h-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
+CCn1cc(cn1)NC(=O)C2CCC2	NUA	n-(1-ethyl-1h-pyrazol-4-yl)cyclobutanecarboxamide
+CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCOCC4	NUB	1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one
+Cc1cc(c(cc1O)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3	NUD	4-[(e)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide
+Cc1cc(c(c(c1O)C)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3	NUE	4-[(e)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide
+c1cc2c(cc1OCCN3CCCCC3)O[Ni]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F	NUF	[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa o}(2-)]nickel (ii)
+C1CN(CCC1O)CC2=CCSC2	NUG	1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol
+CN1C=C(C=CC1=O)c2cccc(c2)OC	NUH	5-(3-methoxyphenyl)-1-methyl-pyridin-2-one
+Cc1cc(nc(n1)C)N(C)C2CC(C2)O	NUJ	trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
+c1csc2c1sc(c2)C(=O)O	NUK	thieno[3,2-b]thiophene-5-carboxylic acid
+c1ccnc(c1)C(=O)NCCc2ccc(cc2)O	NUM	n-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	NUP	6-aminouridine 5'-monophosphate
+CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F	NUQ	5-[5-(4-fluorophenyl)-1~{h}-imidazol-4-yl]-1-methyl-pyridin-2-one
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC	NUT	4-({(4s,5r)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one
+Cc1cc(cc(c1O)C)c2nc3cc(ccc3n2CC4CCN(CC4)C(=O)C)C(=O)NC	NUW	2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{n}-methyl-benzimidazole-5-carboxamide
+CC(C)N1CCN(CC1)C(=O)c2cccs2	NUY	[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
+Cc1c(c(no1)c2ccccc2)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]	NUZ	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
+Cc1cccc(c1N(C(C)C)C(=O)CN)C	NV1	2-azanyl-~{n}-(2,6-dimethylphenyl)-~{n}-propan-2-yl-ethanamide
+CC1=CC(=CN(C1=O)C)c2nc3cc(ccc3n2C(COC)COC)N4CCOCC4	NV2	5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one
+COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@H]5[C@@H]2C(=O)OC5)Sc6[nH]cnn6)OCO4	NV4	(5r,5ar,8as,9r)-9-[(4h-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one
+Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4ccc(cc4)Oc5ccccn5	NV5	2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{n}-(4-pyridin-2-yloxyphenyl)ethanamide
+CS(=O)(=O)N1CCN(CC1)Cc2ccco2	NV7	1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine
+c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4	NV8	2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole
+CCC[C@@H](C(=O)O)N	NVA	norvaline
+CNS(=O)(=O)c1ccc(cc1)c2cccc3c2nc(cn3)c4cc(c(c(c4)OC)OC)OC	NVB	n-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide
+CCCC[C@H](CN(C=O)O)C(=O)N1CCC[C@H]1c2nc3ccccc3o2	NVC	n-[(2r)-2-{[(2s)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-n-hydroxyformamide
+CN(C)c1ccc(cc1)CNn2cnnc2	NVD	n-{[4-(dimethylamino)phenyl]methyl}-4h-1,2,4-triazol-4-amine
+CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCc4ccc(cc4)OCP(=O)(OCC)OCC)C	NVE	diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate
+c1ccc2c(c1)[nH]c(n2)CCC(=O)NC[C@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O	NVG	4-amino-1-(5-{[3-(1h-benzimidazol-2-yl)propanoyl]amino}-5-deoxy-alpha-l-lyxofuranosyl)pyrimidin-2(1h)-one
+CS(=O)(=O)c1cc(cnc1)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F	NVH	2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
+C=C[n+]1cc[nH]c1	NVI	1-vinylimidazole
+CCOC(=O)NCc1ccccc1	NVJ	ethyl benzylcarbamate
+Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4	NVK	1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
+C[C@H]1CCN(C=CC1)C(=O)c2cscn2	NVM	[(4r)-4-methyl-2,3,4,5-tetrahydro-1h-azepin-1-yl](1,3-thiazol-4-yl)methanone
+Cc1cc(c2cc(cc(c2n1)F)F)NC(=O)Nc3ccc(cc3)N(C)C	NVN	1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea
+Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4	NVP	11-cyclopropyl-5,11-dihydro-4-methyl-6h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
+CNCCCNC1=C(C(=O)NC(=O)N1Cc2ccc(cc2)Br)N(C)S(=O)(=O)c3ccccc3	NVQ	~{n}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide
+COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O	NVS	7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2h-1,3-benzoxazin-2-one
+c1ccc2c(c1)c(no2)CC(=O)O	NVU	2-(1,2-benzoxazol-3-yl)ethanoic acid
+c1cc(cc(c1)I)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O	NVV	7-[(3s,4r)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one
+CC(C)(C)NC(=O)Cc1ccc(cc1)Nc2c3c(nc(n2)c4ccccc4)CCCS3(=O)=O	NVW	n-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6h-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide
+c1cc(cc(c1)Cl)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O	NVX	7-[(3s,4r)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one
+CCN1CCC(CC1)Nc2ccccc2F	NVY	1-ethyl-n-(2-fluorophenyl)piperidin-4-amine
+CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O	NVZ	5-[(3as,4s,6ar)-1-acetyl-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid
+C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O	NW1	6-cyclohexylmethyloxy-5-nitroso-pyrimidine-2,4-diamine
+CC(C)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)CCOc4c(cccc4OC)C(=O)O	NW2	2-[2-[3-[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid
+C1CCC(CC1)CCC(=O)N2CCOCC2	NW4	3-cyclohexyl-1-(morpholin-4-yl)propan-1-one
+CC(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)COc4ccccc4CC(=O)O	NW5	2-[2-[[3-[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid
+CCc1c(c(on1)C)C(=O)Nc2cc(on2)C	NW7	3-ethyl-5-methyl-n-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
+c1ccc(cc1)c2cn3cccc(c3n2)c4ccc(cc4)Cl	NW8	8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine
+CC(CCC[N+](C)(C)C)(O)O	NWA	4,4-dihydroxy-n,n,n-trimethylpentan-1-aminium
+CC(=O)CCC[N+](C)(C)C	NWB	n,n,n-trimethyl-4-oxopentan-1-aminium
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-]	NWD	3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine
+c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c3)CNCC4	NWE	2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid
+C(CC(=O)C(=O)O)CN=C(N)N	NWG	5-[(diaminomethylidene)amino]-2-oxopentanoic acid
+CCCCC[C@H](C)NC=O	NWH	n-[(2s)-heptan-2-yl]formamide
+c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N)C#N)C=O	NWJ	2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCCN4CCOCC4)Cl)Cl	NWK	2-[[3,4-bis(chloranyl)-5-methyl-1~{h}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid
+CCNC1=C(N(C(=O)NC1=O)Cc2ccccc2)N	NWL	6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1h,3h)-dione
+CCC(=O)O[C@H](CCOCc1ccccc1)[C@@H](C)[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)CCN(C)C=O)OC(=O)C)O	NWM	(3r,4s,5r,6s,10r,11r,12r)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate
+[H-]([Fe](CO)(C#N)C#N)[Ni+2]	NWN	hydrido[hydridonickel(2+)]bis(hydrocyanato-1kappac)(hydroxymethyl)iron
+C[C@@H]1CN(CCO1)S(=O)(=O)N(C)C(C)C	NWP	(2r)-n,2-dimethyl-n-(propan-2-yl)morpholine-4-sulfonamide
+CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	NWQ	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-~{n}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C5=C([C@H]6[C@@H](O4)NC7=C(N6)C(=O)NC(=N7)N)S[Mo](=O)(S5)(O)O)O)O)N	NWS	moco-amp
+CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C	NWT	n-[(2s)-3-(3,5-difluorophenyl)-1-[[(3s,9s,13s,15r,19s,22s)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide
+Cn1cc(cn1)CNC(=O)c2ccco2	NWV	n-[(1-methyl-1h-pyrazol-4-yl)methyl]furan-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)N)O)O)N	NWW	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide
+Cc1ccc(cn1)CNC(=O)C2CCC2	NWY	n-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NC4CCNCC4)O)O)N	NWZ	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-piperidin-4-yl-oxolane-2-carboxamide
+c1cc(c(cc1CSc2ccsc2C(=O)O)Br)Cl	NX1	3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid
+CS(=O)(=O)NC(=O)c1c(ccs1)SCc2ccc(c(c2)Cl)Cl	NX2	3-[(3,4-dichlorobenzyl)sulfanyl]-n-(methylsulfonyl)thiophene-2-carboxamide
+c1cc(cc(c1)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl)N	NX3	n-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide
+COc1ccc(cc1C(=O)O)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl	NX4	5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid
+c1ccc(c(c1)C(=O)O)SCc2ccc(c(c2)Cl)Cl	NX5	2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid
+c1ccc(cc1)COC(=O)N[C@@H](CC(=O)O)C(=O)O	NX6	n-[(benzyloxy)carbonyl]-l-aspartic acid
+c1cc(c(c(c1)F)C(=O)N2CCCC2)F	NX7	(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCC4CCNCC4)O)O)N	NX8	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-(piperidin-4-ylmethyl)oxolane-2-carboxamide
+C[C@@H](C(=O)O)NC(=O)O	NXA	n-carboxyalanine
+c1nc(c2c(n1)n(cn2)C[C@@H]3[C@@H]([C@@H]([C@@H](CO3)N)O)O)N	NXB	(2~{r},3~{r},4~{r},5~{r})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol
+CCO[P@@](=O)(CCCc1cc2c3c(c1)C[N]([Pt]3([N](C2)(C)C)Cl)(C)C)Oc4ccc(cc4)[N+](=O)[O-]	NXC	(2,6-bis[(dimethylamino-kappan)methyl]-4-{3-[(s)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappac~1~)(chloro)platinum(2+)
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)C(=O)N)O)O)(C(=O)O)OC)O	NXD	methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+CC(=O)Nc1cc(no1)C(F)(F)F	NXE	~{n}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCO	NXG	2-{[4-(diethylamino)piperidin-1-yl]methyl}-4-(3-hydroxyprop-1-yn-1-yl)-6-iodophenol
+CC(C)NC(=O)Nc1ccncc1	NXH	1-propan-2-yl-3-pyridin-4-yl-urea
+CC1(C[C@@H]1C(=O)N(C)c2cccnc2)C	NXJ	(1s)-n,2,2-trimethyl-n-(pyridin-3-yl)cyclopropane-1-carboxamide
+B(c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)(O)O	NXK	2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N	NXL	(2s,5r)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
+C1CC1c2nc(on2)CC3CCNCC3	NXM	4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
+c1cc(c(cc1Cl)Cl)OCC(=O)NCCS	NXN	2-(2,4-dichloro-phenoxy)-n-(2-mercapto-ethyl)-acetamide
+C/C(=N\NC(=N)N)/c1ccc(cc1)NC(=O)c2c[nH]c3c2cccc3	NXP	n-{4-[(1e)-n-carbamimidoylethanehydrazonoyl]phenyl}-1h-indole-3-carboxamide
+C[S-](c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)O	NXQ	2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid
+c1cnc(nc1)N2CCC(CC2)CO	NXS	[1-(pyrimidin-2-yl)piperidin-4-yl]methanol
+c1c(c2c(o1)CCCC2)C(=O)O	NXT	4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@H](CO)NC(=O)c2c3ccccc3ccc2O)C(=O)O)C	NXU	(2r,4s)-2-[(1r)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1cc(c(cc1CSc2cc(ccc2C(=O)O)C#CCCO)Cl)Cl	NXV	2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid
+CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(c(c2)SCc3ccc(c(c3)Cl)Cl)C(=O)O	NXW	2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({n-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O	NXX	1-[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-3-carboxypyridinium
+c1cc(c(cc1CSc2ccsc2C(=O)O)Cl)Cl	NXY	3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid
+c1ccc(cc1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N4CCCCC4=O)N	NXZ	1-[(3s,4s)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one
+Cc1nc(cs1)CC(=O)N2CCOCC2	NY1	2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one
+c1c(c(n[nH]1)C2=CN3C(=C(C(=O)N3)Br)N=C2)[N+](=O)[O-]	NY2	3-bromo-6-(4-nitro-1h-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1h)-one
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCOC(=O)NCc3cccc(c3)c4cnc[nH]4	NY3	2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{n}-[[3-(1~{h}-imidazol-5-yl)phenyl]methyl]carbamate
+C[C@@H](c1ccc(cc1)NC(=O)C2CC2)N	NY4	n-{4-[(1s)-1-aminoethyl]phenyl}cyclopropanecarboxamide
+c1cc2c(cc1C(=O)O)CCCC2	NY5	5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)C4(CCN(CC4)C(=O)c5cnc[nH]5)NC3=O	NY6	3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{h}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
+Cc1ccc(c(c1)NC(=O)CN)OC	NY7	n-(2-methoxy-5-methylphenyl)glycinamide
+CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccc5ccccc5c4)OC)OC	NY8	~{n}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{n}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCNC(=O)NCc3cccnc3	NY9	n-{2-[7-(diethylamino)-4-methyl-2-oxo-2h-1-benzopyran-3-yl]ethyl}-n'-[(pyridin-3-yl)methyl]urea
+C[C@H](\C=C\[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	NYA	(1r,3r,7e,17beta)-17-{(1r,2e,4r)-4-hydroxy-1-methyl-4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CC[C@@H](C)SC[C@@H](C(=O)O)NC	NYB	n-methyl-s-[(1r)-1-methylpropyl]-l-cysteine
+C[C@H]([C@@H](C1=N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1CC(=O)O)N)O	NYC	[(4e)-2-[(1r,2s)-1-amino-2-hydroxypropyl]-4-(1h-indol-3-ylmethylene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1ccc2cc(c(cc2c1)C(=O)O)N	NYE	3-azanylnaphthalene-2-carboxylic acid
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC(=O)N)N)CC(=O)O)O	NYG	[(4z)-2-[(1s)-1,3-diamino-3-oxopropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C1CCC(=CC1)[N+](=O)[O-]	NYH	1-nitrocyclohexene
+Cc1cccc2c1C(=C(NC2=O)c3ccccc3)C	NYJ	4,5-dimethyl-3-phenylisoquinolin-1(2h)-one
+c1ccc2c(c1)[C@@H](C(=O)N2)CC#N	NYK	[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]acetonitrile
+C=CCNc1ccccc1	NYL	n-allyl-aniline
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N	NYM	3'-deoxy-3'-aminothymidine monophosphate
+C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4	NYN	chlorido(1,2-diaminoethane-k2n,n')(1,4,7-trithiacyclononane-k3s,s',s'')ruthenium(ii) trifluoromethanesulfonate
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)[C@]4(CCN(C4)C(=O)c5c[nH]cn5)NC3=O	NYO	(5~{r})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{h}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
+C/[N+](=C\C=C)/CC1CCC=CC1	NYP	n-[(e)-methyl](phenyl)-n-[(e)-2-propenylidene]methanaminium
+c1cc2c(cc1Br)CC(=O)N2	NYQ	5-bromanyl-1,3-dihydroindol-2-one
+c1c(cc(c(c1O)O)SC[C@@H](C(=O)O)N)[C@H](CN)O	NYS	s-{5-[(1r)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-l-cysteine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O	NYT	beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl alpha-d-glucopyranoside
+CC(C)n1cc(nc1)S(=O)(=O)N	NYV	1-(propan-2-yl)-1h-imidazole-4-sulfonamide
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N)N	NYW	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NC(=O)N=C2N	NYZ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+COc1ccc2c(c1)nc(s2)N	NZ1	5-methoxy-1,3-benzothiazol-2-amine
+C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C	NZ2	n-(methylsulfonyl)-n-phenyl-l-alanine
+C[C@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C	NZ3	n-(methylsulfonyl)-n-phenyl-d-alanine
+CC(=O)c1cccc(c1)NC(=O)N2CCOCC2	NZ4	n-(3-acetylphenyl)morpholine-4-carboxamide
+CC[C@H](CO)O	NZ5	(2~{r})-butane-1,2-diol
+CN(C)C(=O)N1CCOC[C@]12CCOC2	NZ7	(5r)-n,n-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide
+c1cc2c(nc1)Oc3cc(ccc3N(C2=O)c4ccncc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl	NZ8	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea
+c1csc(c1S(=O)(=O)NC2CC2)C(=O)O	NZ9	3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid
+c1ccc(cc1)Sc2c3cc(ccc3n(c2C(=O)O)Cc4ccc(cc4)Cl)Cl	NZA	5-chloro-1-(4-chlorobenzyl)-3-(phenylthio)-1h-indole-2-carboxylic acid
+CN(C)Cc1c2cc(ccc2n[nH]1)c3ccc(cc3OCCc4cccnc4)F	NZB	[(5-{4-fluoro-2-[2-(pyridin-3-yl)ethoxy]phenyl}-1h-indazol-3-yl)methyl]dimethylamine
+C[C@H]([C@@H](C(=O)O)NC)O	NZC	n-methylidene-l-threonine
+CN1CCN(CC1)C(=O)Nc2ccccc2	NZD	4-methyl-n-phenylpiperazine-1-carboxamide
+CN(C)Cc1c2cc(ccc2[nH]n1)c3ccc(cc3OCCn4ccnc4)F	NZE	[(5-{4-fluoro-2-[2-(1h-imidazol-1-yl)ethoxy]phenyl}-1h-indazol-3-yl)methyl]dimethylamine
+COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCC[C@@H](C3)C(=O)NCc4cccc(c4)OC(F)(F)F	NZF	(3s)-n-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide
+CC(=O)Nc1cc(ccc1F)C(=O)O	NZG	3-(acetylamino)-4-fluorobenzoic acid
+c1c(ncn1c2[nH]nnn2)C[C@@H](C=O)N	NZH	(2s)-2-amino-3-[1-(1h-tetraazol-5-yl)-1h-imidazol-4-yl]propanal
+c1ccc2c(c1)NC(=O)N2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	NZI	[(2~{r},3~{s},5~{r})-3-oxidanyl-5-(2-oxidanylidene-3~{h}-benzimidazol-1-yl)oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
+Cc1cccc(c1)C(=O)N2CCC(CC2)C(=O)N	NZJ	1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide
+c1ccc2c(c1)C[C@@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN	NZL	5-[[(1s,2s)-2-(6-azanylhexanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
+C=CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)O	NZM	cefixime, bound form
+CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2	NZN	n-ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide
+COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3	NZO	nocodazole
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(C[C@@H]([C@@H]5O)O)C(=O)N)O)O)O)OP(=O)(O)O)N	NZQ	5,6-dihydroxy-nadp
+Cn1c2c(cn1)c(nc(n2)N3CCS(=O)(=O)CC3)Nc4cccc(c4)OC	NZS	6-(1,1-dioxidothiomorpholin-4-yl)-n-(3-methoxyphenyl)-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)c5cnccn5	NZT	n-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide
+Cn1c2c(cn1)c(nc(n2)c3cccc4c3c[nH]n4)NCCCS(=O)(=O)C	NZU	6-(2h-indazol-4-yl)-1-methyl-n-[3-(methylsulfonyl)propyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CN1C(=NC(=O)C(=O)N1)SCC2=C(N[C@H](SC2)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c3csc(n3)N)C(=O)O	NZV	ceftriaxone, bound form
+C[C@@H](c1ccc(cc1)OC)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)c3ccc4ccccc4n3	NZW	~{n}-[2-[(2~{s})-2-[[(1~{s})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
+CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)COC[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O	NZY	n-[(3s,4r,5s,6r)-4,5-dihydroxy-6-({[(2s,3s,4s,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2h-pyran-3-yl]acetamide (non-preferred name)
+CC(=CCC/C(=C\CO)/C)C	NZZ	(2z)-3,7-dimethylocta-2,6-dien-1-ol
+O	O	oxygen atom
+Cc1c(sc(n1)C)c2cc([nH]n2)CN	O01	[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1h-pyrazol-3-yl]methanamine
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NN)N	O02	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+[H]/N=C(/c1ccc(cc1)/C=N/O[C@H]2CCCCO2)\N	O04	(e)-4-((tetrahydro-2h-pyran-2-yloxyimino)methyl)benzimidamide
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N4CC[NH2+]CC4)N	O05	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-piperazin-4-ium-1-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+C[C@@H](c1ccc(cc1Cl)OC)NC(=O)[C@@H]2C[C@H](CN2C(=O)CNC(=O)c3ccc4cc(ccc4n3)F)O	O08	~{n}-[2-[(2~{s},4~{r})-2-[[(1~{s})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide
+[H]/N=C(/c1ccc(cc1)/C=N/OCC(=O)O)\N	O09	(e)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid
+Cc1ccc(cc1)[C@H]2c3c(nn(c3NC(=O)[C@H]2NC(=O)c4cccc(c4)C)c5ccccc5)C	O0A	3-methyl-n-[(4s,5s)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]benzamide
+C[C@@H](CC(F)(F)F)[C@@H](C=O)N	O0B	(2~{s},3~{s})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl	O0D	(2r)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid
+C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2c[nH]cn2)NC(=O)c3cc4ccccc4cc3N	O0E	(2~{s})-1-[(2~{s})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{h}-imidazol-4-yl)propanoyl]-~{n}-[(2~{s})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide
+C[C@@H](CO)Nc1c(cc(cn1)Cl)F	O0G	(2s)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol
+CC(=O)Nc1ccc(cc1)c2csc(n2)N	O0J	n-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
+CC(C)c1ccc(cc1)CN2CCC(CC2)O	O0M	1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol
+CN(Cc1cccc(c1)F)S(=O)(=O)N	O0P	n-[(3-fluorophenyl)methyl]-n-methylsulfuric diamide
+c1cn(nn1)CCNC(=O)C23C4C5C2C6C5C4C36	O0Q	~{n}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide
+CC(=O)Nc1ccc(cc1)Oc2ncccn2	O0S	n-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide
+C[C@@H](CO)N(C)c1c(cccn1)F	O0V	(2s)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol
+Cc1cc(cc2c1nn(c2)C3CCNCC3)C4=CN(C(=O)c5c4occ5)C	O0W	5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one
+CCN(CC)c1cccc(c1)O	O0Y	3-(diethylamino)phenol
+CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCC[C@H]3CCCN(CC3)Cc4ccccc4	O0Z	(2~{s})-2-(butylamino)-3-(1~{h}-indol-3-yl)-~{n}-[2-[(4~{r})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide
+CCC(CC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O	O11	(2s)-3-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)pentan-3-yl]phenoxy}propane-1,2-diol
+CCCCCCCCCCCC(=O)NCCC[C@@H](C(=O)O)N	O12	n~5~-dodecanoyl-l-ornithine
+[H]/N=C(/c1ccc(cc1)/C=N/O[C@@H]2CCCN(C2)C)\N	O13	(e)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide
+[H]/N=C(/c1ccc(cc1)/C=N/OC2CCN(CC2)C)\N	O14	(e)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide
+[H]/N=C(/c1ccc(cc1)/C=N/OC(C)(C)C(=O)O)\N	O15	(e)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid
+c1ccc(cc1)\C=C\c2nn([n+](n2)c3ccc4c(c3)C(=O)NNC4=O)c5nc6ccccc6s5	O16	3-(1,3-benzothiazol-2-yl)-2-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(e)-2-phenylvinyl]-3h-tetraazol-2-ium
+COCCNC(=O)/C=C/c1ccc(cc1OCC#N)Nc2cc(c(c(n2)NC34CC5CC(C3)CC(C5)C4)C#N)N	O17	(2e)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-n-(2-methoxyethyl)prop-2-enamide
+CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C=O)N	O18	[(2~{s})-2-azanyl-3-oxidanylidene-propyl] (~{z})-hexadec-9-enoate
+c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)NC(=O)[C@H]5CCCN5	O19	(2r)-n-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
+CC(=O)Nc1ccc(cc1)N2CCN(CC2)C	O1A	n-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
+C(CNC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N	O1B	(2r,3r,4s)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCCO)O)C	O1C	2alpha-(3-hydroxypropyl)-1alpha,25-dihydroxyvitamin d3
+c1ccc(cc1)COc2cccc(c2)N	O1D	3-(benzyloxy)aniline
+CCc1nnc(s1)NCc2ccc3c(c2)cc[nH]3	O1E	5-ethyl-n-(1h-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O)COP(=O)(O)O)O)O	O1G	3-deoxy-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-o-phosphono-alpha-d-gluco  pyranose
+c1cc(ccc1Cn2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5)C#N	O1H	4-[[5-[7-chloranyl-3-(1~{h}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile
+c1ccc(cc1)COCC(=O)O	O1J	(benzyloxy)acetic acid
+c1cc(ccc1N2CCN(CC2)C(=O)N)F	O1M	4-(4-fluorophenyl)piperazine-1-carboxamide
+CC(C)C12[C]3[Os]1456([C]3C4([C]5[C]62)C)(C7=[N](c8ccccc8N7C)C)(Cl)Cl	O1N	dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(ii)
+Cc1cccc(c1)n2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5	O1Q	4-chloranyl-1-(1~{h}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
+Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)CN4CCCC4	O1S	6-(5-methyl-1h-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3h)-one
+C[C@@H](c1ccc(cc1)F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl	O1T	[[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-[[(1~{s})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)[C@@H]4CC5CCN4CC5	O1V	2-[(2s)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1h-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3h)-one
+Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)COC)N5CCOC[C@@H]5C	O1W	6-[1-[(2~{s})-1-methoxypropan-2-yl]-6-[(3~{s})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{n}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
+CN(c1cc(ncn1)Nc2c(cn(n2)CCO)NC(=O)C=C)C(=O)Nc3c(c(cc(c3Cl)OC)OC)Cl	O1Y	n-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1h-pyrazol-4-yl}prop-2-enamide
+c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)NC4CCCCC4)N	O1Z	[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone
+O=O	O2	oxygen molecule
+CN1CCN(CC1)CCCN(c2cc(ncn2)Nc3ccccc3NC(=O)C=C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl	O21	n-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide
+CCOc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N	O22	4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide
+c1cc(sc1)CNc2c3ncc(n3ccn2)c4ccc(cc4)C(=O)NC5CC5	O23	n-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
+CCNCc1cn(nc1C(F)(F)F)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N	O25	2-[({4-[(ethylamino)methyl]-3-(trifluoromethyl)-1h-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CC(C)(C)c1c(cn(n1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)CNC	O26	2-[({3-tert-butyl-4-[(methylamino)methyl]-1h-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N[C@@H]5CCNC5)C(F)(F)F)C1	O27	n-[(3r)-pyrrolidin-3-yl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N)C(F)(F)F)C1	O28	2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CN(C)CCNC(=O)c1c2c(sc1NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4)CCCC2	O29	n-[2-(dimethylamino)ethyl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CNC(=O)c1cccc2c1[nH]cc2	O2A	n-methyl-1h-indole-7-carboxamide
+Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)c5ccccc5)N6CCOC[C@@H]6C	O2B	3-methyl-6-[6-[(3~{s})-3-methylmorpholin-4-yl]-1-[(1~{s})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{n}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
+C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)COP(=O)(O)O	O2C	3'-deoxy-cytidine-5'-monophosphate
+c1nncn1NC(=O)CC2CCCCC2	O2D	2-cyclohexyl-n-(4h-1,2,4-triazol-4-yl)acetamide
+C[C@@H]1[C@@H](N=C(C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)OC[C@H](C=O)N	O2E	(2~{s},3~{r})-2-[(2~{s},3~{r})-1-[(2~{r})-2-azanyl-3-oxidanylidene-propoxy]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CN(C)C1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	O2G	2'-deoxy-n,n-dimethyl-5'-o-[oxido(oxo)phosphonio]guanosine
+CCCC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC	O2H	~{n}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
+COC[C@H]1CN(CCO1)c2ccccn2	O2J	(2r)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine
+CCC(=O)NCc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)C	O2K	~{n}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide
+Cc1csc(n1)CNC(=O)c2ccn[nH]2	O2M	n-[(4-methyl-1,3-thiazol-2-yl)methyl]-1h-pyrazole-5-carboxamide
+COc1ccc(cc1)C(c2ccc(cc2)OC)NC(=O)c3ccccc3CN(CC=C)Cc4ccc5c(c4C(=O)O)OCO5	O2N	5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid
+Cc1ccc(c(c1)O)NC(=O)c2ccccc2C	O2P	n-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
+Cc1nnc2n1nc(cc2)N(C)Cc3ccc(c(c3)F)F	O2Q	~{n}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{n},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
+C[C@@H]([C@H](CC(C)C)C(=O)O)S	O2S	(2~{r})-4-methyl-2-[(1~{s})-1-sulfanylethyl]pentanoic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C(=O)O)(O)O)CCOP(=O)(O)OP(=O)(O)[O-]	O2T	[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[1,1,2-tris(oxidanyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate
+C[C@H]([C@@H](CC(C)C)C(=O)O)S	O2V	(2s)-4-methyl-2-[(1r)-1-sulfanylethyl]pentanoic acid
+COC(=O)COC(=O)NC12CCC(CC1)[C@@H]3[C@H]2C(=O)N(C3=O)c4ccc(cc4)N	O2W	methyl ({[(3ar,4r,7r,7ar)-2-(4-aminophenyl)-1,3-dioxooctahydro-4h-4,7-ethanoisoindol-4-yl]carbamoyl}oxy)acetate
+c1cc(c(nc1)C(=O)O)SCC(=O)O	O2Y	3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)NN	O2Z	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxyphosphinic acid
+C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)NCCCN)C(F)(F)F)C1	O30	n-(3-aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5OC/C=C/C(c6c(nc7ccccc7n6)O4)(F)F)C(C)(C)C	O31	(3ar,7s,10s,12r,21e,24ar)-7-tert-butyl-n-[(1r,2r)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1h,10h-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide
+Cc1nnc2n1cc(cc2)c3cc4c(cccn4)c(c3)O[C@H](C)[C@@H]5CC(=O)NC5	O32	(4~{r})-4-[(1~{r})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C	O33	(4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-s-methyl- l-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+C[C@@]1(CSC(=N1)C(C)(C)[C@@H]([C@@H]2CS[C@@H](N2)[C@H]3CSC(=N3)c4ccccc4O)O)C(=O)O	O34	yersiniabactin
+Cc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)CN(C)C	O35	~{n}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
+CCN1c2c(c(nn2[C@H]3CCC=CC3)C)[C@@H]([C@@H](C1=O)NC(=O)c4cccc(c4)C)c5ccc(cc5)F	O37	n-[(4s,5s)-1-[(1s)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide
+Cn1cc(cn1)c2ccc(cc2OCC#N)Nc3ccc(c(n3)NC4CCCCC4)C#N	O38	6-{[3-(cyanomethoxy)-4-(1-methyl-1h-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile
+CN(c1ccccc1)C(=O)[C@H]2CCNC2	O3A	(3s)-n-methyl-n-phenylpyrrolidine-3-carboxamide
+B(c1ccc(cc1)S(=O)(=O)N)(O)O	O3B	(4-sulfamoylphenyl)boronic acid
+c1cc(oc1)CN2CCS(=O)(=O)CC2	O3D	4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione
+CC#CC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC	O3E	~{n}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
+c1ccc(cc1)CNCc2ccc(cc2)F	O3G	n-benzyl-1-(4-fluorophenyl)methanamine
+c1ccc2c(c1)C(=O)NC(=N2)SCCN3CCN(CC3)c4ccccn4	O3H	2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{h}-quinazolin-4-one
+CC(=O)N1CCN(CC1)CCCc2ccccc2	O3J	1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one
+c1ccc2c(c1)CCN(C2)Cc3ccc(cc3)O	O3M	4-[(3,4-dihydroisoquinolin-2(1h)-yl)methyl]phenol
+C=CCN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	O3N	(2s)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CN(CCN)Cc1c[nH]cc1c2cccc(c2)NC(=O)C=C	O3P	n-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1h-pyrrol-3-yl)phenyl]prop-2-enamide
+CCC(=O)Nc1cccc(c1)c2c[nH]cc2CN(C)CCN	O3S	n-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1h-pyrrol-3-yl)phenyl]propanamide
+CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C	O3V	3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one
+CN(CCS)C(=O)c1ccccc1	O3W	~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide
+CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5ccccc5Cl)C(=O)C1)C	O3Y	4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CO)C(=O)O)O	O3Z	(2~{r})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid
+CCCc1c(ccc2c1onc2C(F)(F)F)OCCCN(C)C(=O)Nc3ccc(cc3)C(=O)O	O40	4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid
+CS(=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3	O41	5-cyclopropyl-n-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
+c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N	O42	4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide
+c1cc(ccc1c2cnc3n2nc(cc3NCC4CCOCC4)NC5CCCCC5)C(=O)NC6CC6	O43	4-{6-(cyclohexylamino)-8-[(tetrahydro-2h-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-n-cyclopropylbenzamide
+C#CCNC(=O)c1cc(nc(n1)N2CCN(CC2)Cc3ccc(cc3)S(=O)(=O)F)Nc4cc(n[nH]4)C5CC5	O44	4-[(4-{4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride
+CC(=C)CONC(=O)C(=O)O	O45	2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid
+[H]/N=C/c1nc(cc(n1)c2cc(cc(c2)C(F)(F)F)C(=O)N(C)C)CCC	O47	3-{2-[(e)-iminomethyl]-6-propylpyrimidin-4-yl}-n,n-dimethyl-5-(trifluoromethyl)benzamide
+CCCCCCCCCCOS(=O)(=O)N	O48	decyl sulfamate
+Cc1ccc2c(c1)-c3c(cnn3CC(=O)Nc4ccc5c(c4)OCCO5)CO2	O4A	n-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4h)-yl)acetamide
+C1COCCOCCOCCOCCOCCO1	O4B	1,4,7,10,13,16-hexaoxacyclooctadecane
+Cc1cc(nc2c1c(nn2CC(=O)NCCCN3CCOCC3)n4cccc4)C	O4D	2-[4,6-dimethyl-3-(1h-pyrrol-1-yl)-1h-pyrazolo[3,4-b]pyridin-1-yl]-n-[3-(morpholin-4-yl)propyl]acetamide
+CN(CCS)C(=O)c1cccc(c1)Br	O4E	3-bromanyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide
+c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c3)OCCO4	O4G	n-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
+[OH2][Mn+2]([OH2])([OH2])[OH2]	O4M	manganese tetrahydrate ion
+CCC[C@@H](c1ccc(cc1)OC)NC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4	O4N	5-[[[2-[[(1s)-1-(4-methoxyphenyl)butyl]carbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+CN([C@@H](c1cccs1)c2c[nH]c3c2cccc3)C(=O)COc4ccccc4OC	O4P	n-[(r)-(1h-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-n-methylacetamide
+C/C(=C\Cl)/CC=O	O4Q	(~{e})-4-chloranyl-3-methyl-but-3-enal
+CCc1ccc(cc1)CNC(=O)CN2c3cc(ccc3N4CCCC[C@@H]4C2=O)C(=O)N5CCCC5	O4S	n-[(4-ethylphenyl)methyl]-2-[(6ar)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5h-pyrido[1,2-a]quinoxalin-5-yl]acetamide
+C[C@H](c1cc(cnc1)N2C(=O)c3ccc(cc3C2(C)C)Cl)NS(=O)(=O)C	O4T	~{n}-[(1~{r})-1-[5-(6-chloranyl-1,1-dimethyl-3-oxidanylidene-isoindol-2-yl)pyridin-3-yl]ethyl]methanesulfonamide
+CCOc1ccccc1n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C)N	O4V	1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1h-1,2,3-triazol-5-amine
+CC1(c2cc(ccc2C(=O)N1c3cc(cnc3)OC4CN(C4)C(=O)c5cnn(c5)C)Cl)C	O4W	5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one
+C[C@H](C(=O)O)N1C=Nc2ccccc2C1=O	O4Y	(2r)-2-(4-oxoquinazolin-3(4h)-yl)propanoic acid
+c1ccc(c(c1)CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F	O4Z	1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea
+c1cc(c(cc1NC(=O)[C@H]2CCCN(C2)C(=O)NCCN)F)Cl	O51	(3s)-n~1~-(2-aminoethyl)-n~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide
+CC(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2	O53	(2s)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1h-pyrido[2,3-d]pyrimidin-4-one
+CCNC(=O)Nc1cc2c(ccc(c2cn1)C)c3ccnc(c3)C	O54	1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
+c1cc(ccc1NC(=O)NCCNCc2ccc(cc2O)Br)S(=O)(=O)N	O55	1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea
+c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F	O57	10-benzyl-2-fluoro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
+c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CC(=O)O)NC(=O)CCc3cc(ccc3n4cnnn4)Cl	O58	{4-[(n-{3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]propanoyl}-l-phenylalanyl)amino]phenyl}acetic acid
+C(CCCCOS(=O)(=O)N)CCCOS(=O)(=O)N	O59	octane-1,8-diyl disulfamate
+c1cc(ccc1[C@@]2(CCN(C2)C(=O)C3CCC(CC3)C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(C(F)(F)F)(C(F)(F)F)F	O5A	trans-4-{(3r)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid
+c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C5CCC(CC5)C(=O)O	O5B	trans-4-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
+Cc1cc(ncc1N)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4c(cccc4Cl)OC	O5D	[3-(5-amino-4-methylpyridin-2-yl)-1h-pyrazol-5-yl]{(3r)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone
+c1ccc(cc1)[C@H](C(=O)Nc2[nH]nnn2)Nc3ccccc3	O5E	(2r)-2-phenyl-2-(phenylamino)-n-(1h-tetrazol-5-yl)acetamide
+Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4ccccc4OC	O5G	{(3r)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1h-pyrazol-5-yl]methanone
+c1ccc(cc1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N	O5H	1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea
+COc1ccc(cc1)C(=O)CN2C(=O)C(NC2=O)(c3ccccc3)c4ccccc4	O5J	3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
+c1cc(ccc1CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F	O5K	1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea
+Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4ccccc4F	O5M	{(3r)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1h-pyrazol-5-yl]methanone
+c1ccc(c(c1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N)F	O5N	1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea
+Cc1ccnc(c1)c2cc(n[nH]2)C(=O)N3CCOC[C@H]3Cc4ccccc4	O5P	[(3r)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1h-pyrazol-3-yl]methanone
+CCC(=O)N1CC(C1)NC(=O)Cn2c3c(cc(cc3c(c2C4CC4)C(=O)N5CCc6c(cccc6OC)C5)Cl)C	O5S	2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1h)-carbonyl)-7-methyl-1h-indol-1-yl]-n-(1-propanoylazetidin-3-yl)acetamide
+c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCNCc2ccc(cc2O)Br	O5T	1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea
+c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)NC(=O)CCCCCN	O5U	(2r)-6-[[(1r,2s)-2-(6-azanylhexanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2C(=O)N3CC=C(C3)c4ccccc4)Br	O5V	2-[4-bromo-2-(3-phenyl-2,5-dihydro-1h-pyrrole-1-carbonyl)phenoxy]-n-(1-propanoylazetidin-3-yl)acetamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P-](=O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO[P-](=O)(=O)O)n4cnc5c4nc[n+](c5N)C)O	O5W	[(3~{s},5~{r})-5-(6-azanyl-1-methyl-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
+CCC(=O)N1CC(C1)NC(=O)Cn2cc(c3c2ccc(c3)Br)C(=O)N4CCc5c(cccc5OC)C4	O5Y	2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1h)-carbonyl)-1h-indol-1-yl]-n-(1-propanoylazetidin-3-yl)acetamide
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(o3)Br)N	O5Z	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
+C(CCCCCOS(=O)(=O)N)CCCCOS(=O)(=O)N	O60	decane-1,10-diyl disulfamate
+c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)SCC(=O)N5	O61	n-[(2s)-1-({2-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2h-1,4-benzothiazine-7-carboxamide
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cccc5C(=O)O	O62	6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid
+CC[C@@H](C=O)NC(=O)c1cccc(c1Cl)C(F)(F)F	O64	2-chloro-n-[(1s)-1-formylpropyl]-3-(trifluoromethyl)benzamide
+Cc1c(cc(cc1CO)C(=O)O)CO	O65	3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde
+CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2NC(=O)c3cc(no3)C)Br	O67	n-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide
+CN(CCS)C(=O)c1ccc(cc1)F	O68	4-fluoranyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide
+c1cc(ccc1CN)S(=O)(=O)N2CCC(CC2)NC(=O)c3cc(on3)C4CC4	O6A	n-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
+Cc1ccc(cc1N)c2cc(nc(n2)O[C@H](C(=O)O)C(c3ccccc3)(c4ccccc4)OC)C	O6D	(2s)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid
+CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C	O6E	3-[5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C	O6G	n-(2-cyano-3-methyl-1h-indol-5-yl)butane-1-sulfonamide
+Cc1cc(c(c(c1)C)C[C@@H](C=O)N)C	O6H	2,4,6-trimethyl-l-phenylalanine
+CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C	O6J	n-(2-cyano-3-methyl-1h-indol-5-yl)pentane-1-sulfonamide
+CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)NCc4ccccc4)O	O6K	~{tert}-butyl ~{n}-[1-[(2~{s})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
+Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3cccc(c3)C#N	O6M	3-cyano-n-(3-cyano-4-methyl-1h-indol-7-yl)benzene-1-sulfonamide
+C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O	O6P	doripenem
+c1ccc(cc1)c2csc3c2C(=O)NC(=N3)COC(=O)CCN4c5ccccc5OCC4=O	O6S	(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl)propanoate
+CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C	O6T	biotc4-1 cofactor
+C[C@@H](C1=Nc2c(c(cs2)c3ccccc3)C(=O)N1)OC(=O)C[C@H]4C(=O)Nc5ccccc5S4	O6V	(1s)-1-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl [(2s)-3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl]acetate
+c1cc2cnccc2cc1NS(=O)(=O)CCCC(F)(F)F	O6W	4,4,4-tris(fluoranyl)-~{n}-isoquinolin-6-yl-butane-1-sulfonamide
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3	O6Y	2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile
+CCCCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2	O6Z	~{n}-(1~{h}-indazol-5-yl)butane-1-sulfonamide
+CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)CC(=O)O	O71	(4-{6-[(2s)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2h-1,3-benzodioxol-4-yl}phenyl)acetic acid
+c1cc2ccnc(c2nc1)N	O72	1,7-naphthyridin-8-amine
+Cc1c(c2c(n1C)C(=O)C=C(C2=O)NCCCCN)COc3ccc(cc3)[N+](=O)[O-]	O73	5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1h-indole-4,7-dione
+c1ccc2c(c1)C(=N/C(=C/3\C=CC=CC3=O)/N2)Nc4ccccc4Cl	O74	6-[4-(2-chloroanilino)-1h-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
+CCCc1cc(nc(n1)C#N)c2cc(cc(c2)C(F)(F)F)C(=O)N(CCN(C)C)Cc3ccccc3	O75	n-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-n-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide
+c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N	O77	n-[(3s)-3-amino-3-carboxypropyl]-l-histidine
+[H]/N=C\1/CCCC(=C1)C(=O)O	O78	(3z)-3-iminocyclohex-1-ene-1-carboxylic acid
+C[C@@H]([C@@H](C(=O)O)NC)O	O7A	n-methyl-l-allothreonine
+c1cc2c3c(c1)C(=O)N(C[C@H]3CCC2)[C@@H]4CN5CCC4CC5	O7B	(3~{a}~{s})-2-[(3~{s})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{h}-benzo[de]isoquinolin-1-one
+CN[C@@H](Cc1c[nH]c2c1c(ccc2)OC)C(=O)O	O7D	4-methoxy-n-methyl-l-tryptophan
+CCOC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	O7E	6-(ethoxycarbonyl)uridine 5'-(dihydrogen phosphate)
+CC(C)[C@@H](C(=O)O)N(C)C	O7G	n,n-dimethyl-l-valine
+c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N[C@@H](CCC(=O)O)C(=O)O	O7J	n-[(1s)-1-carboxy-3-{[(1s)-1-carboxy-2-(1h-imidazol-5-yl)ethyl]amino}propyl]-l-glutamic acid
+CCC(=O)N1C[C@@H]2C(=O)N(c3cnc4c(c3N2C[C@H]1C)cc(c(c4F)c5c(cccc5F)O)Cl)C	O7K	pyrazinoquinolinone
+COC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	O7M	6-(methoxycarbonyl)uridine 5'-(dihydrogen phosphate)
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CNC1=O)CCCCN)CCCCN	O7N	1-[(8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCN(C(=O)C3)C	O7P	2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile
+CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C	O7Q	biotc5-1 cofactor
+C/C/1=C\[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C=C1)CC=C)C(C)C)F)O	O7S	(3r,4r,5e,10e,12e,14s,16r,26ar)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,7h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione
+C1=C[P@](=O)(NC(=O)N1)N	O7U	(2r)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1h)-one 2-oxide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4)F)O)/C	O7V	(2r)-2-[(3s,4r,5e,10e,12e,14s,16r,26ar)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4)O)/C	O7Y	(2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
+CC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3	O7Z	2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{h}-inden-5-yl]oxy]ethanoic acid
+CN(C)Cc1ccc2c(c1)c3ccccc3n2CC(F)(F)F	O80	n,n-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9h-carbazol-3-yl]methanamine
+[C@H]1([C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	O81	(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+CNCc1ccc2c(c1)c3ccccc3n2CCF	O82	1-[9-(2-fluoroethyl)-9h-carbazol-3-yl]-n-methylmethanamine
+CNCc1ccc2c(c1)c3ccccc3n2CC(F)F	O83	1-[9-(2,2-difluoroethyl)-9h-carbazol-3-yl]-n-methylmethanamine
+c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/CP(=O)(O)O)P(=O)(O)O	O84	[(2~{r},4~{a}~{r},6~{r},7~{a}~{r})-6-[2,4-bis(oxidanylidene)-5-[(~{e})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{h}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
+CN(CCS)C(=O)c1cccc(c1)F	O85	3-fluoranyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide
+Cc1nc2cc(ccc2n1c3ccc(s3)C(=O)NC4CC4)OC(F)(F)F	O8A	n-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1h-benzimidazol-1-yl]thiophene-2-carboxamide
+Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4ccccc4C	O8B	2-(2-methylphenoxy)-n-[2-(4-methylphenyl)-2h-benzotriazol-5-yl]acetamide
+C/C/1=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C=C1)CC=C)C(C)C)O	O8D	(3r,4r,5e,10e,12e,14s,26ar)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4h,17h)-tetrone
+c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN=[N+]=[N-]	O8G	1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
+c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)Cn4cc(nn4)CNS(=O)(=O)c5ccc(cc5)I	O8H	4-iodo-n-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1h-1,2,3-triazol-4-yl)methyl]benzenesulfonamide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)C)O)/C	O8J	(3r,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4h,17h)-tetrone
+C[C@@H]1/C=C(\CCC(=O)CCCC/C=C/[C@@H]([C@H]1O)OC)/C	O8K	(4z,6r,7s,8s,9e)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CC(=O)N)O)O)N	O8M	2-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO	O8N	octacosan-1-ol
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccnc(c4)Br)O)/C	O8P	(2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NCCc5ccc(cc5)Cl)N	O8Q	5-azanyl-~{n}-[[4-[[(2~{s})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccc(cc4)C(F)(F)F)O)/C	O8S	(2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NC5CCCCC5)N	O8T	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@@H](C)COC(=O)Nc4cc5ccccc5cn4)O)/C	O8V	(2s)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
+CC[C@H](C)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4	O8W	5-azanyl-~{n}-[[4-[[(2~{s})-1-[[(2~{s})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CCCCCC=O	O8Y	hexanal
+CC(C)CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4	O8Z	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CCCc1c(ccc2c1onc2C(F)(F)F)OCCCSc3ccc(cc3Cl)CC(=O)O	O90	{3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid
+Cc1ccc(cc1)c2[nH]cc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC	O91	[2-(4-methylphenyl)-1h-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
+CNC(=O)c1c(ncc(n1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3F)F)Cl)N	O92	3-amino-6-{4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl}-n-methylpyrazine-2-carboxamide
+Cc1c(cc2c(c1NO)sc(n2)C3=N[C@@H](CO3)C(=O)N4CCCC4)C(F)(F)F	O95	{(4s)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone
+CC[C@@H](C(=O)C(=O)N)NC(=O)c1ccc(c(c1Cl)C(F)(F)F)OCc2ccccn2	O96	n-[(1s)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide
+c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NC4CC4	O97	4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
+CCC(CC)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4	O98	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)F)C	O9A	5-ethoxy-2-fluoro-3-methyl-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
+CN1CCCC[C@@H]1C(=O)O	O9B	(2~{r})-1-methylpiperidine-2-carboxylic acid
+CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C	O9D	5-ethoxy-2-fluoro-3-methyl-n'-(phenylsulfonyl)benzohydrazide
+CCCn1cc(nn1)CN(C)C(=O)c2cc(c(s2)C)C3=C(CCC3)c4cc(sc4C)C(=O)N(C)Cc5cn(nn5)CC	O9E	~{n}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{n},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3cccn3	O9G	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(1h-pyrazol-1-yl)benzohydrazide
+CC(C)[C@@H](C[C@H](C1NC(=C(S1)CCOCc2ccccc2)C=O)OC(=O)C)[NH2+]C	O9H	[(1~{r},3~{r})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccn3	O9J	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide
+CC(C)[C@@H](C[C@H](c1nc(cs1)C=O)OC(=O)C)NC	O9K	[(1~{r},3~{r})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ncccn3	O9M	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide
+COC(=O)[C@H](C[C@H](Cc1ccccc1)N)N	O9N	methyl (2~{s},4~{s})-2,4-bis(azanyl)-5-phenyl-pentanoate
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OCC=C	O9P	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide
+Cc1cccc(c1)C2=CC(=O)c3c(cc(cc3O2)O)O	O9Q	2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC(C)C	O9S	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
+Cc1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O	O9T	2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one
+CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C	O9V	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-propoxybenzohydrazide
+Cc1nnn(n1)Cc2cc(ccc2/C=C/C(=O)N3CCN(C[C@H]3C)Cc4ccc(cc4)F)Cl	O9W	(~{e})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{r})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3nccn3	O9Y	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(2h-1,2,3-triazol-2-yl)benzohydrazide
+c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F	O9Z	2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one
+c1cc(cc(c1)Br)C(=O)c2cnc(o2)N	OA1	(2-amino-1,3-oxazol-5-yl)-(3-bromophenyl)methanone
+c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3cnc(o3)N	OA2	2-amino-n,n-bis(phenylmethyl)-1,3-oxazole-5-carboxamide
+CC1(Cc2c(c(ncn2)N)C(=O)C1)C	OA3	4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6h)-one
+Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3	OA4	5-methyl-6-phenylquinazoline-2,4-diamine
+c1ccc(cc1)OCCOc2nc(nc(n2)N)N	OA5	6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
+c1cc(ncc1C(=O)O)O	OA7	6-hydroxypyridine-3-carboxylic acid
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)OC(=O)C)O	OA8	{[(2r,3s,4r,5s,6s)-3-(acetyloxy)-5-acetamido-4,6-dihydroxyoxan-2-yl]methoxy}phosphonic acid
+C(C(=O)C(=O)O)C(=O)[O-]	OAA	oxaloacetate ion
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)OC(=O)C	OAB	{[(2r,3s,4r,5s,6s)-5-acetamido-3,6-dihydroxy-4-(2-oxopropyl)oxan-2-yl]methoxy}phosphonic acid
+CC(Cc1ccccc1O)C(=O)O	OAC	trans-o-hydroxy-alpha-methyl cinnamate
+CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	OAD	2'-o-acetyl adenosine-5-diphosphoribose
+CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C	OAE	(2s,4s)-2-[(r)-{[(2r)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+C(=O)(C(C(C(=O)O)(F)F)(O)O)O	OAF	2,2-difluoro-3,3-dihydroxybutanedioic acid
+c1cc(c(cc1Cl)NCc2cc3c(nc(nc3nc2)N)N)Cl	OAG	6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@H](O3)COP(=O)(O)O)O)N	OAH	9-(2-deoxy-5-o-phosphono-alpha-d-threo-pentofuranosyl)-9h-purin-6-amine
+c1c[nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O	OAI	6-(oxalyl-amino)-1h-indole-5-carboxylic acid
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@@H]3C(=O)O	OAJ	(3r)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid
+c1ccc(cc1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	OAK	n-(phenylcarbonyl)-beta-d-glucopyranosylamine
+c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2=O	OAL	(1,8-dihydroxy-9,10-dioxo-9,10-dihydro-anthracen-2-yl)-acetic acid
+Cc1nnc(n1CCCn2ccnc2)c3cnn(c3N)C	OAM	4-{4-[3-(1h-imidazol-1-yl)propyl]-5-methyl-4h-1,2,4-triazol-3-yl}-1-methyl-1h-pyrazol-5-amine
+CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	OAN	o-(2-acetamido-2-deoxy d-glucopyranosylidene) amino-n-phenylcarbamate
+c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3	OAP	4-(s)-[(1-oxo-7-phenylheptyl)amino]-5-[4-(phenylmethyl)phenylthio]pentanoic acid
+CC(C)NC[C@@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO	OAQ	{(2s)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
+[H]/N=C(/N)\NCCC[C@@H](CO)N	OAR	n-(4-amino-5-hydroxy-pentyl)-guanidine
+CC(=O)OC[C@@H](C(=O)O)N	OAS	o-acetylserine
+CCN(CCn1cccn1)C(=O)Cc2ccc(cc2)Oc3ccc(c(c3)C)C#N	OAV	2-[4-(4-cyano-3-methylphenoxy)phenyl]-n-ethyl-n-[2-(1h-pyrazol-1-yl)ethyl]acetamide
+Cc1c2c(nc(n1)N)N(C(=O)C(=N2)c3c[nH]nc3)C(C)C	OAW	2-amino-4-methyl-8-(1-methylethyl)-6-(1h-pyrazol-4-yl)pteridin-7(8h)-one
+c1cc(ccc1C(=O)NCN(CC2CC2)C=O)Cl	OAX	4-chloranyl-n-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide
+c1ccc(c(c1)COC(=O)O)N=[N+]=[N-]	OAZ	(2-azidophenyl)methyl hydrogen carbonate
+c1ccc(cc1)NS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB1	(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CN(c1ccccc1)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB2	(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-methyl-n-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CN(c1ccccc1Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB3	(1s,2r,4s)-n-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-n-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc(cc1)OC)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB4	(1s,2r,4s)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc(cc1)OC)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB5	(1r,2s,4r)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB6	(1s,2r,4s)-n-(4-chlorophenyl)-n-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB7	(1r,2s,4r)-n-(4-chlorophenyl)-n-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc2ccccc2c1)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O	OB8	(1s,2r,4s)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB9	(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-phenyl-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+c1ccc(c(c1)C(=O)O)NC(=O)C(=O)O	OBA	2-(oxalyl-amino)-benzoic acid
+c1cc(cc(c1)Br)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OBB	3-bromophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1ccc(c(c1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O)F	OBC	2-fluorophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+Cc1ccc(cc1)C(=O)NCc2cn(nn2)[C@@H](Cc3ccc4ccccc4c3)CC(=O)N=O	OBD	4-methyl-n-({1-[(2s)-1-(naphthalen-2-yl)-4-nitroso-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide
+C[N@H+]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3cccc(c3)O)C(=O)[O-]	OBE	3-(3-hydroxy-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid
+C([C@@H](C(=O)O)N)C(F)F	OBF	(2s)-2-amino-4,4-difluorobutanoic acid
+c1ccc(cc1)COc2c3c([nH]cn3)nc(n2)N	OBG	6-(benzyloxy)-9h-purin-2-amine
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc(cc5)O)O	OBH	cyclohexa-2,5-dien-1-yl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1c[n+](ccc1\C=N\O)COC[n+]2ccc(cc2)\C=N\O	OBI	1,1'-(oxydimethylene)bis(4-formylpyridinium)dioxime
+CC1=C2[C@H]([C@]([C@]3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H]7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO)C)(C)CC(=O)N)CCC(=O)N	OBL	5-methoxybenzimidazolyl-norcobamide
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O)O	OBM	4-bromophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O	OBN	ouabain
+c1ccc(c(c1)c2ccccc2[S@@](=O)O)O	OBP	2'-hydroxy-1,1'-biphenyl-2-sulfinic acid
+CN1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)N)OC)OC)OCO3	OBQ	(3~{s})-7-azanyl-6-methoxy-3-[(5~{r})-4-methoxy-6-methyl-7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{h}-2-benzofuran-1-one
+C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/C[S@]1=O)CC(=O)O)CCC(=O)O	OBS	(z)-n^6-[(4s,5r)-5-(2-carboxyethyl)-4-(carboxymethyl)-1-hydroxydihydro-2h-thiopyranium-3(4h)-ylidene]-l-lysine
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)Cl)c5ccc(cc5)O)O	OBT	(1s,2r,4s)-n-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+Cc1c2cc3[n+]4c(cc5n6c(cc7[n+]8c(cc(c1CCC(=O)O)n2[Fe]648)C(=C7C)CCC(=O)O)[C@@]([C@H]5CCC(=O)O)(C)CC(=O)O)[C@@]([C@H]3CCC(=O)O)(C)CC(=O)O	OBV	12,18-didecarboxy-siroheme
+c1ccc2c(c1)cc(s2)c3cc4c(s3)c(ncn4)SCC(=O)O	OBW	2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid
+CC(=O)Nc1cc2c(cccc2s1)c3ccc(s3)C(=O)NC4CC4	OBY	5-[2-(acetylamino)-1-benzothiophen-4-yl]-n-cyclopropylthiophene-2-carboxamide
+c1ccc(cc1)CON	OBZ	o-benzylhydroxylamine
+[OH2][Ca+2]	OC1	calcium ion, 1 water coordinated
+[OH2][Ca+2][OH2]	OC2	calcium ion, 2 waters coordinated
+[OH2][Ca+2]([OH2])[OH2]	OC3	calcium ion, 3 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])[OH2]	OC4	calcium ion, 4 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])([OH2])[OH2]	OC5	calcium ion, 5 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])[OH2]	OC6	calcium ion, 6 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]	OC7	calcium ion, 7 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]	OC8	calcium ion, 8 waters coordinated
+CCCCCCCCO	OC9	octan-1-ol
+CCCCCCCC(=O)O	OCA	octanoic acid (caprylic acid)
+CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	OCB	octanoylcarnitine
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCCCO)O)C	OCC	2alpha-(3-hydroxypropoxy)-1alpha,25-dihydroxyvitamin d3
+CCCCCCCCCCCCCCCCCC=O	OCD	octadecanal
+C(CCCC(=O)O)CCC(=O)O	OCE	octanedioic acid
+Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O)Nc4ccon4	OCG	5-amino-n-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1h-pyrazole-4-carboxamide
+c1ccc2c(c1)C=CC(=O)N2	OCH	quinolin-2(1h)-one
+c1cc(cc(c1)N)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N	OCJ	4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
+CCC[C@@]1(C(=O)Nc2ccccc2C(=O)N1CC)C	OCK	(3~{r})-4-ethyl-3-methyl-3-propyl-1~{h}-1,4-benzodiazepine-2,5-dione
+[OH2][Co+2]	OCL	cobalt ion, 1 water coordinated
+[OH2][Co+2]([OH2])[OH2]	OCM	cobalt ion, 3 waters coordinated
+[OH2][Co+2][OH2]	OCN	cobalt ion, 2 waters coordinated
+[OH2][Co+3]([OH2])([OH2])([OH2])([OH2])[OH2]	OCO	cobalt ion,6 waters coordinated
+CCCCCCCCNC(=O)OC[C@H](CO[P@](=O)(CCCCCCCC)O)OC(=O)NCCCCCCCC	OCP	octyl-phosphinic acid 1,2-bis-octylcarbamoyloxy-ethyl ester
+C1CNC(=O)[C@@H]1C[C@@H](C(=O)CO)N	OCQ	(3s)-3-[(2s)-2-amino-4-hydroxy-3-oxobutyl]pyrrolidin-2-one
+CCCCCC(=O)\C=C\C=C/C\C=C\C\C=C\CCCC(=O)O	OCR	(5e,8e,11z,13e)-15-oxoicosa-5,8,11,13-tetraenoic acid
+C([C@@H](C(=O)O)N)S(=O)(=O)O	OCS	cysteinesulfonic acid
+CCCCCCCC	OCT	n-octane
+CC(C)[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	OCV	n6-[(1r)-2-{[(1r)-1-carboxy-2-methylpropyl]oxy}-1-(mercaptomethyl)-2-oxoethyl]-6-oxo-d-lysine
+Cc1c2c(cc3c(c2O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC	OCW	methyl (6~{a}~{r},7~{s},10~{a}~{r})-3,8,10~{a}-trimethoxy-1-methyl-6~{a},7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7~{h}-tetracene-2-carboxylate
+CCCCC\C=C\C\C=C\C=CC(=O)C\C=C\CCCC(=O)O	OCX	(5e,11e,14e)-8-oxoicosa-5,9,11,14-tetraenoic acid
+C(CSC[C@@H](C(=O)O)N)O	OCY	hydroxyethylcysteine
+c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N	OCZ	(1s)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1- carboxamide
+c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCCCN	OD1	4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide
+CSc1ccc(cc1)c2cc3c(s2)c(ncn3)SCC(=O)O	OD2	2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid
+c1cc(c2cc(sc2c1)C(=O)O)c3ccc(s3)C(=O)NCCCN	OD4	4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid
+C[C@@H]1[C@@H]2CC[C@@H]([C@H]2C[C@]3(CC[C@H]([C@@H]3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC	OD8	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[[(1~{s},3~{r},6~{s},7~{s},8~{r},9~{r},10~{r},11~{r},14~{s})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol
+C1C[C@H](N2C(=O)[C@H](CCC(=O)N2C1)N)C(=O)O	ODA	9-amino-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
+[H]/N=C(/N)\NCCC[C@H]1C(=O)N[C@@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4ccccc4CO)C(=O)N	ODB	(10s,14s,17r)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide
+CCCCC\C=C/C=C/CCCCCCCCC(=O)O	ODD	(10e,12z)-octadeca-10,12-dienoic acid
+CCOC(=O)[C@H]1[C@H]([C@H]2C(=C([C@@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OCC	ODE	diethyl (1r,2s,3r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
+c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C4CC4	ODG	6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
+c1cc(oc1)CNC(=O)c2ccc3c(c2)nccn3	ODH	n-(furan-2-ylmethyl)quinoxaline-6-carboxamide
+C(CCCCO)CCCO	ODI	octane-1,8-diol
+Cc1cc(ccc1NC(=O)c2cnn3c2ccc(c3)OC)NC(=O)c4c5ccccc5n(n4)C	ODJ	n-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1h-indazole-3-carboxamide
+c1ccnc(c1)c2cc([nH]n2)C(=O)O	ODK	3-pyridin-2-yl-1h-pyrazole-5-carboxylic acid
+C[C@H](CCC=C(C)C)CCO	ODM	(3r)-3,7-dimethyloct-6-en-1-ol
+C[C@@H]1[C@@H]2CC[C@H]3[C@@]45CO[C@@]([C@]3([C@@H]2O)C1=O)([C@H]([C@@H]4C(CC[C@@H]5O)(C)C)O)O	ODN	(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14r,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one
+C/C(=N\O)/c1ccc(cc1O)O	ODO	4-[(e)-c-methyl-n-oxidanyl-carbonimidoyl]benzene-1,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC(C(=O)C=C5)C(=O)N)O)O)O)OP(=O)(O)O)N	ODP	4-oxo-nicotinamide-adenine dinucleotide phosphate
+CCC[C@@]1(C(=O)Nc2ccccc2C(=O)N1C)C	ODQ	(3~{r})-3,4-dimethyl-3-propyl-1~{h}-1,4-benzodiazepine-2,5-dione
+CCOc1cc(cc(c1)[C@@H](C)O)c2c(noc2C)C	ODR	(1r)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol
+CN1CCN(CC1)C(=O)O	ODS	4-methylpiperazine-1-carboxylic acid
+CC\C=C/C=C/C=C/CCCCCCCCCC(=O)O	ODT	(11e,13e,15z)-octadeca-11,13,15-trienoic acid
+C([C@H](O)P(=O)(O)O)N	ODV	[(1r)-2-amino-1-hydroxyethyl]phosphonic acid
+C1C[C@]2([C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O)O	ODW	(1~{r},2~{s},3~{s},4~{r},5~{r})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol
+CC1=C([C@@H](Oc2c1cccc2O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O	ODY	(2s)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2h-1-benzopyran-8-ol
+C[C@](CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O	ODZ	2-(4-hydroxyphenyl)-~{n}-[(2~{s})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide
+CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc([nH]2)c3ccccc3	OE1	2-phenyl-n,n-dipropyl-1h-benzimidazole-5-sulfonamide
+c1cc(c(cc1C/C(=N\O)/C(=O)NCCS(=O)(=O)N)Br)O	OE2	psammaplin c
+c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)N4CC(C4)c5cccnc5	OE4	n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5	OE5	5-azanyl-~{n}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)Cl	OE7	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)Nc5ccc(cc5)F)N	OE8	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O	OEA	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NCc5ccncc5)N	OEB	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+[O@]12[Ca]3[O@]4[Mn]1O5[Mn]2O3([Mn]45)[Mn]	OEC	oxygen evolving system
+COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O)O	OED	[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid
+C[C@](CC(=C)O)(C=O)NC(=O)OC(C)(C)C	OEE	~{tert}-butyl ~{n}-[(2~{s})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate
+CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)CCC(=O)O)Br	OEF	3,5-dibromo-4-(3-isopropyl-phenoxy)benzoic acid
+C(C(=O)O)OCC(=O)O	OEG	2,2'-oxydiacetic acid
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl	OEH	[9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)O	OEJ	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid
+CC1(c2cc(ccc2C(=C3C1=CC(=[N+](C)C)C=C3)c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl)N(C)C)C	OEK	4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid
+CC(C)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1C(=O)[C@H](CO)O)C(=O)O)F)N=[N+]=N	OEL	(6r)-2,6-anhydro-3,4,5-trideoxy-6-[(2s)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien  -2-ium-1-yl-l-gulonic acid
+CN[C@H](CC(=O)O)C(=O)O	OEM	n-methyl-d-aspartic acid
+C[C@H]1C(C(N=C1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2Cn3cnc[n+]3C2	OEN	 biapenem imine hydrolysis product
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C(=O)O	OEP	3-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid
+C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cnc[n+]3C2)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	OEQ	biapenem enamine hydrolysis product
+O1[Mn][O-]23[Mn]14O5[Sr+2]2O6[Mn]5[O+]4[Mn]36	OER	sr-mn4-o5 cluster
+CCCCCCCC[S@@](=O)CCO	OES	n-octyl-2-hydroxyethyl sulfoxide
+C[CH2]	OET	ethyl group
+Cc1ccccc1CCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCc2ccccc2)C(=O)NCc3ccccc3Cl	OEU	n-{(2s)-1-[(2-chlorobenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-n~2~-[3-(2-methylphenyl)propanoyl]-l-threoninamide
+CCCCCCCCN[C@@H]1C=C([C@H]([C@@H]([C@H]1O)O)O)CO	OEV	(1s,2s,3r,6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol
+CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CC=NC3=O)[C@H](C(=O)NC4CC4)O	OEW	~{tert}-butyl ~{n}-[1-[(2~{s})-3-cyclohexyl-1-[[(2~{s},3~{r})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{r})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
+O1[Mn][O@]23[Mn@@]14[O@]5[Ca]2[O@@]6[Mn]5[O@]4[Mn]36	OEX	ca-mn4-o5 cluster
+O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3	OEY	ca-mn4-o6 cluster
+CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)C(=O)NC4CCC4	OEZ	~{n}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide
+[OH2][Fe+2]	OF1	ferrous ion, 1 water coordinated
+O([Fe+3])[Fe+3]	OF2	2 ferric ion, 1 bridging oxygen
+[OH2][Fe+3]	OF3	ferric ion, 1 water coordinated
+c1ccc(c(c1)CNC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O	OF4	2-[({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid
+CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)OC	OF5	1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone
+c1ccc(c(c1)CC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N	OF7	[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid
+CC(=O)c1cc(c2n1cccn2)c3ccccn3	OF8	1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
+c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OFB	3-fluorophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)F	OFC	4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-l-ribofuranosyl)pyrimidin-2(1h)-one
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C#N	OFD	[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid
+O=[Fe]	OFE	iron(ii) oxide
+c1cc(ccc1\C=C\C(=O)O[C@@H](CC(=O)O)[C@H](C(=O)O)OC(=O)\C=C\c2ccc(cc2)O)O	OFF	2-deoxy-3,4-bis-o-[3-(4-hydroxyphenyl)propanoyl]-l-threo-pentaric acid
+Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F	OFG	3-[(1r)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1h-pyrazol-4-yl)pyridin-2-amine
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl)O[C@@H](C)C(F)(F)F	OFH	(4r)-4-[(2-chloro-4-{[(2s)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-n-{1-[(e)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-l-prolinamide
+CCCC(=O)Nc1c2ccc(cc2[nH]n1)c3ccc(cc3)O	OFI	n-[6-(4-hydroxyphenyl)-1h-indazol-3-yl]butanamide
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)N	OFJ	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid
+CC(=O)c1cc(c2n1cccn2)c3ccccc3	OFK	1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
+c1ccc(c(c1)C(=O)O)Nc2ccccc2C(F)(F)F	OFL	o-trifluoromethylphenyl anthranilic acid
+C[C@@H]1C(=N[C@](O1)([C@H](Cc2ccccc2)N)O)C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O	OFM	[(4z)-2-{(2r,5r)-2-[(1s)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	OFN	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate
+O[Fe]O[Fe]	OFO	hydroxy diiron-oxo moiety
+C1C2CC3CC1CC(C2)C3(CO)N	OFQ	(2-azanyl-2-adamantyl)methanol
+CCN(CC)S(=O)(=O)c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2	OFT	(3z)-n,n-diethyl-3-[(3e)-3-(hydroxyimino)-1,3-dihydro-2h-indol-2-ylidene]-2-oxo-2,3-dihydro-1h-indole-5-sulfonamide
+C[C@@]1(CN(CCO1)S(=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)C(=O)NCC4(C5CC6CC(C5)CC4C6)N	OFW	(2~{r})-~{n}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide
+[H]/N=C(\NCC)/NCC1C2CC3CC(C2)CC1C3	OFZ	1-(2-adamantylmethyl)-3-ethyl-guanidine
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C#N	OG1	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid
+[H]/N=C(\NCC)/NC12CC3CC(C1)CC(C3)C2	OG2	1-(1-adamantyl)-3-ethyl-guanidine
+c1ccc(c(c1)CCC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N	OG4	3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid
+c1ccc(cc1)[C@@H](CC(=O)NCC2(C3CC4CC(C3)CC2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6=O	OG5	(3~{r})-~{n}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide
+c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)N=C(N4)N	OG7	2-({4-[(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid
+[H]/N=C(\N)/NCC12CC3CC(C1)CC(C3)C2	OG8	1-(1-adamantylmethyl)guanidine
+C(C(=O)O)NC(=O)C(=O)O	OGA	n-oxalylglycine
+COC(=O)c1cccc2c1ccnc2	OGB	methyl isoquinoline-5-carboxylate
+c1cc(ncc1Br)NC(=O)NCCO	OGE	1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea
+C(COCC(=O)N)OCC(=O)N	OGG	2-(2-carbamoylmethoxy-ethoxy)-acetamide
+Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@@H]6[C@H](C5)C6N	OGH	4-[(1~{s},5~{r})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{n}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{h}-pyrimido[4,5-b]indol-8-amine
+CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O	OGJ	(2s)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2h-1-benzopyran-6-ol
+CC[C@@H]1C[C@H]2[C@H](CCC2=O)[C@H](C1)C(=O)N[C@]3(C[C@@H]3CC)C(=O)O	OGK	(1s,2s)-2-ethyl-1-({[(3as,4s,6r,7as)-6-ethyl-1-oxooctahydro-1h-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid
+COC(=O)NCCCCc1[nH]c(cn1)CO	OGM	methyl {4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate
+CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	OGN	[(z)-[(3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] n-phenylcarbamate
+Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C3=C4C=CC(=[N+](C)C)C=C4Oc5c3ccc(c5)N(C)C)C(=O)O	OGQ	[9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
+CCCCCCCCc1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O	OGS	4-octylphenyl 6-o-sulfo-alpha-d-glucopyranoside
+CCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O	OGT	2-ethoxy-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(NCCS)O)O	OGX	2'-deoxy-5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
+c1ccc(cc1)CCCc2[nH]cc(n2)CO	OGY	[2-(3-phenylpropyl)-1h-imidazol-4-yl]methanol
+c1cc(cc(c1)C(F)(F)F)CN	OGZ	[3-(trifluoromethyl)phenyl]methanamine
+[OH-]	OH	hydroxide ion
+c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO	OH1	n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}benzamide
+CO[C@@H](CCc1[nH]cc(n1)CO)c2ccccc2	OH4	{2-[(3s)-3-methoxy-3-phenylpropyl]-1h-imidazol-4-yl}methanol
+C[C@@H](C[C@H](Cc1ccccc1)N)C(=O)O	OH5	(2~{s},4~{r})-4-azanyl-2-methyl-5-phenyl-pentanoic acid
+CC(=O)NCCCCc1[nH]cc(n1)CO	OH7	n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}acetamide
+CC(C)Oc1cc(cnc1)c2ccc3c(c2)c(n[nH]3)C(=O)NCC4CCN(CC4)CCOC	OH8	~{n}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1~{h}-indazole-3-carboxamide
+CCCCCCC(=O)CCCCCCCCC(=O)O	OHA	10-oxohexadecanoic acid
+c1ccc(c(c1)C(=O)N)O	OHB	salicylamide
+C[C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N	OHD	{(4z)-2-[(1s)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CCO	OHE	hydroxyethyl group
+Cc1[nH]cc(n1)CO	OHG	(2-methyl-1h-imidazol-4-yl)methanol
+CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[C@@H](c6cccc7c6cccc7)P(=O)(O)O	OHH	2-[3-({methyl[1-(2-naphthoyl)piperidin-4-yl]amino}carbonyl)-2-naphthyl]-1-(1-naphthyl)-2-oxoethylphosphonic acid
+C1=NC(=O)N=C1C[C@@H](C(=O)O)N	OHI	3-(2-oxo-2h-imidazol-4-yl)-l-alanine
+CCCCc1[nH]cc(n1)CO	OHJ	(2-butyl-1h-imidazol-4-yl)methanol
+CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4	OHK	~{n}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide
+COc1ccc(cc1)S(=O)(=O)[N@@](Cc2ccncc2)CC(=O)NO	OHL	n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]-n~2~-(pyridin-4-ylmethyl)glycinamide
+CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O	OHM	3-oxo-n-[(3s)-2-oxopyrrolidin-3-yl]dodecanamide
+CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O	OHN	n-3-oxo-dodecanoyl-l-homoserine lactone
+C1CCC(CC1)NC(=O)O	OHO	cyclohexane aminocarboxylic acid
+c1ccc(c(c1)CC(=O)O)O	OHP	(2-hydroxyphenyl)acetic acid
+C([C@H](C(=O)O)N)C(=O)OSC(=O)O	OHS	o-(carboxysulfanyl)-4-oxo-l-homoserine
+CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3	OHT	4-hydroxytamoxifen
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)O)COP(=O)(O)O)O	OHU	2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate)
+c1ccc(cc1)COC(=O)NCCCCc2[nH]c(cn2)CO	OHV	benzyl {4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate
+CCCc1c2ccc(cc2[nH]c1[C@H]3CCCCN3CCN4CCOCC4)OC(F)(F)F	OHW	4-[2-[(2~{r})-2-[3-propyl-6-(trifluoromethyloxy)-1~{h}-indol-2-yl]piperidin-1-yl]ethyl]morpholine
+N[Os](N)(N)(N)(N)N	OHX	osmium (iii) hexammine
+CCC(=O)N1CCN(CC1)C2=NC(=O)N(c3c2cc(c(c3)c4c(cccc4F)O)Cl)c5ccccc5C(C)C	OHY	6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1h)-one
+c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F	OHZ	1-(3-chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea
+CCC[C@@H](C(=O)NCCc1ccc(cc1)O)[N+]2=C([C@@H]3Cc4ccccc4CN3C(=O)[C@@H]2Cc5ccc(cc5)O)[O-]	OI1	3-(4-hydroxybenzyl)-2-[1-({[2-(4-hydroxyphenyl)ethyl]amino}carbonyl)butyl]-4-oxo-3,6,11,11a-tetrahydro-4h-pyrazino[1,2-b]isoquinolin-2-ium-1-olate
+C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O	OI7	1,7-di-o-phosphono-beta-d-altro-hept-2-ulofuranose
+c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O	OIA	[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]acetic acid
+C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O	OIC	octahydroindole-2-carboxylic acid
+c1cn(cn1)CCCCCCCCCC(=O)O	OID	10-(1h-imidazol-1-yl)decanoic acid
+CC[C@H](C)[C@@H](C(=O)O)O	OIL	(2s,3s)-2-hydroxy-3-methylpentanoic acid
+CC[C@H](C)[C@@H]([C@@]1(N=C([C@H](O1)C)C2=N/C(=C\c3ccc(cc3)O)/C(=O)N2CC(=O)O)O)N	OIM	[(4z)-2-{(2r,5r)-2-[(1s,2s)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3	OIN	(1r,5s)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2r)-3-hydroxy-2-phenylpropanoate
+c1cn(cn1)CCCCCCCC(=O)O	OIO	8-(1h-imidazol-1-yl)octanoic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O	OIP	2'-deoxy-inosinic acid
+C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)S	OIR	n-(3-phenyl-2-sulfanylpropanoyl)phenylalanylalanine
+Cc1nc(cs1)CN2CCN(C2=O)[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](C[N@](CC(C)C)S(=O)(=O)c4ccc(cc4)\C=N\O)O	OIS	(s)-n-((2s,3r)-3-hydroxy-4-(4-((e)-(hydroxyimino)methyl)-n-isobutylphenylsulfonamido)-1-phenylbutan-2-yl)-3-methyl-2-(3 -((2-methylthiazol-4-yl)methyl)-2-oxoimidazolidin-1-yl)butanamide
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3c(nn2)c4ccccc4)c5c(cccc5F)O)Cl	OJ1	1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one
+c1ccc(c(c1)CCO)NC(=O)Nc2cccc(c2)OC(F)(F)F	OJ2	1-[2-(2-hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea
+c1cc(ccc1OC[C@H](C[Te]C[C@H](COc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N	OJ4	4-[(2s)-2-hydroxy-3-{[(2r)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide
+c1cc(cc(c1)Cl)c2c[nH]c3c2c(ncn3)N4CCOCC4	OJ5	4-[5-(3-chlorophenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
+Cc1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl	OJ7	3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1h-indole
+c1ccc(cc1)Oc2ccc3c(c2)CC[C@@H](C3)[C@@H](c4ncc(o4)c5ccccn5)O	OJ8	(s)-[(2s)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol
+CC(C)N1CCN(CC1)CCNC2CCN(CC2)c3cccc(c3)c4cc5cc(ccc5[nH]4)F	OJA	1-(3-(5-fluoro-1h-indol-2-yl)phenyl)piperidin-4-yl)(2-(4-isopropyl-piperazin1-yl)ethyl)-carbamate
+CCC(=O)NCCCNC(=O)CCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C	OJB	5-[(2~{r},3~{r},4~{r},5~{r},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{n}-[3-(propanoylamino)propyl]pentanamide
+c1ccc(cc1)CC[C@@H]2CC(=O)NC2	OJD	(4r)-4-(2-phenylethyl)pyrrolidin-2-one
+c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO	OJG	n-{4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}-2-phenylacetamide
+C[C@H]1CCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)[C@@](NC3=O)(C)C4CC4	OJH	~{n}-[4-bromanyl-3-[(3~{s})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{r})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
+COC(=O)N(CCCCc1[nH]cc(n1)CO)Cc2ccccc2	OJJ	methyl benzyl{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate
+c1c(c(cc(c1O)Cl)O)CN	OJK	2-(aminomethyl)-5-chloranyl-benzene-1,4-diol
+CCOC(=O)CCc1[nH]cc(n1)CO	OJM	ethyl 3-[4-(hydroxymethyl)-1h-imidazol-2-yl]propanoate
+C=CC(=O)NCCCCc1[nH]cc(n1)CO	OJP	n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}prop-2-enamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C[NH2+]c2conc2O)O	OJQ	[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5cccc(c5)Cl)O[C@H](Cc6ccccc6OC)C(=O)O	OJT	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7C)C(=O)O	OJW	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid
+c1c([nH]c(n1)CCC[C@@H](C(=O)O)N)CO	OJY	5-[5-(hydroxymethyl)-1h-imidazol-2-yl]-l-norvaline
+c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O	OK1	3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7cnccn7)C(=O)O	OK2	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid
+[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)c3ccc(cc3)CN)(O)O	OK3	(4~{r})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
+C[C@@H](C(=O)N[C@@H](CCCc1[nH]c(cn1)CO)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)C	OK4	n-acetyl-l-alanyl-5-[5-(hydroxymethyl)-1h-imidazol-2-yl]-l-norvalyl-l-valinamide
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7ccnc(n7)c8ccccc8OC)C(=O)O	OK5	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
+CC(=O)Nc1cccs1	OK7	n-(thiophen-2-yl)acetamide
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O	OK8	(2~{s})-2-[[5-azanyl-1-[(2~{r},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid
+C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)\C=C\[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O	OKA	okadaic acid
+COCCOCCOCCOCCOCc1cn(nn1)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	OKD	n-({(1s)-1-carboxy-5-[4-(2,5,8,11,14-pentaoxapentadec-1-yl)-1h-1,2,3-triazol-1-yl]pentyl}carbamoyl)-l-glutamic acid
+COc1cccc(c1O)CO	OKE	2-(hydroxymethyl)-6-methoxy-phenol
+C(CC(=O)O[O-])C(=O)O	OKG	4-peroxy-4-oxobutanoic acid
+c1cc(ccc1c2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)C(=O)O)Cl	OKH	2-(4-chlorophenyl)-1-[(1s)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1h-benzimidazole-6-carboxylic acid
+c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl	OKI	(2s)-2-[2-(4-chlorophenyl)-1h-benzimidazol-1-yl]-n,2-dicyclohexylethanamide
+c1cc(ccc1C[C@@H]([C@@H](C=O)O)N)O	OKJ	(2s,3s)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal
+CCNc1nc(nc(n1)O)NC(C)C	OKM	4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)S)O	OKN	5'-methyl-2'-deoxycytidine-5'-phosphorothioate
+C[C@@H]1CN(C[C@@H](O1)C)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cc(c(nc5)OC)NS(=O)(=O)C	OKO	n-[5-[4-(5-{[(2r,6s)-2,6-dimethyl-4-morpholinyl]methyl}-1,3-oxazol-2-yl)-1h-indazol-6-yl]-2-(methyloxy)-3-pyridinyl]methanesulfonamide
+B(CCCCCNCCCN)(O)O	OKP	{5-[(3-aminopropyl)amino]pentyl}boronic acid
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O	OKQ	2'-o-methylcytidine-5'-phosphorothioate
+C(CCCC(=O)NO)CCCN	OKS	8-amino-n-hydroxyoctanamide
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)S)O	OKT	2'-o-methyluridine-5'-phosphorothioate
+CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F	OKV	1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1h-indol-1-yl]ethan-1-one
+CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(F)(F)F	OKY	1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1h-indol-1-yl]ethan-1-one
+CCCNS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O	OKZ	4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{n}-propyl-benzenesulfonamide
+c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccccn3)(O)O	OL1	7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
+CCOc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N	OL2	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid
+CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1	OL3	n-biotin-c-co4(mu3-o)4(oac)(py)4(h2o)3-beta-alanine
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)[O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])NC(=O)N2	OL4	n-biotin-c-co4(mu3-o)4(py)3(h2o)4-beta-alanine
+CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])[N]1=CC=CC=C1	OL5	n-biotin-c-co4(mu3-o)4(oac)(py)3(h2o)3-beta-alanine
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C6CCCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C	OL7	methyl [(1s)-1-cyclohexyl-2-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate
+c1cc(cc(c1)N2C(=O)C=CC2=O)NC(=O)c3ccco3	OL8	~{n}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide
+CCCCCCCC\C=C/CCCCCCCC(=O)O	OLA	oleic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O	OLB	(2s)-2,3-dihydroxypropyl (9z)-octadec-9-enoate
+CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O	OLC	(2r)-2,3-dihydroxypropyl (9z)-octadec-9-enoate
+c1cc(ccc1C(=O)Cn2cncc2C[C@@H](C(=O)O)N)Br	OLD	3-[2-(4-bromophenyl)-2-oxoethyl]-l-histidine
+CC(C)C[C@@H](C(=O)O)O	OLE	2-hydroxy-4-methyl-pentanoic acid
+Cc1cc(ccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)C(=O)O	OLF	4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid
+CCCCCCCC\C=C/CCCCCCCC(=O)O	OLI	oleic acid
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6C[C@H]7C[C@H]7C6)C(=O)NS(=O)(=O)C8(CC8)C	OLJ	(1r,3r,5s)-bicyclo[3.1.0]hexan-3-yl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)O)C(C)(C)O	OLM	olmesartan
+CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O	OLN	(s)-2-acetamido-5-ureidopentanoic acid
+Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO	OLO	olomoucine
+CC(C)n1cnc\2c1NC(=N/C2=N\c3cccc(c3)Cl)NCCO	OLP	2-(2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
+COc1ccc(c(c1F)C(=O)N)F	OLQ	2,6-difluoro-3-methoxybenzamide
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)([O])[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1)([N]1=CC=CC=C1)[O])NC(=O)N2	OLS	n-biotin-c-co4(mu3-o)4(py)4(h2o)4-beta-alanine
+C[C@H]([C@@H](C(=O)O)N)OC	OLT	o-methyl-l-threonine
+c1cc2c(cc1O)sc(n2)C3=NC(=O)CS3	OLU	2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5h)-one
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCCC6)C(=O)NS(=O)(=O)C7(CC7)C	OLV	cyclohexyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate
+c1cc(cc(c1)C#N)CNCCc2ccnc(n2)n3ccnc3	OLW	3-[({2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile
+Cc1c(nc2c(n1)CC=C(C2)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)C6(CCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C	OLY	methyl (1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate
+C(COC[C@@H](C(=O)O)N)N	OLZ	o-(2-aminoethyl)-l-serine
+COc1ccc(cc1)CNC(=O)c2ccccc2C[NH2+]Cc3ccc4c(c3C(=O)O)OCO4	OM1	(4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]azanium
+CC[C@H](C)NC(=O)c1ccccc1C[N@@H+](C)Cc2ccc3c(c2C(=O)O)OCO3	OM2	(r)-[2-[[(2s)-butan-2-yl]carbamoyl]phenyl]methyl-[(4-carboxy-1,3-benzodioxol-5-yl)methyl]-methyl-azanium
+C[N@H+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCO4	OM3	(r)-(4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl]-methyl-azanium
+COc1ccc(cc1Cl)c2ccc(c(c2)Cl)Cl	OM4	1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene
+CC[C@H](C)[C@@H](C(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C)NC(=O)C	OM7	(2r,6s,12z,13as,14ar,16as)-6-[(n-acetyl-l-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-n-[(1-methylcyclo propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl opentadecine-14a(5h)-carboxamide
+c1cc(cc(c1)Cl)COc2ccc(c(c2F)C(=O)N)F	OM8	3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide
+CCC/C=C/C[C@H]1C[C@H]1CCCCCCCCCC(=O)O	OMA	10-{(1r,2r)-2-[(2e)-hex-2-en-1-yl]cyclopropyl}decanoic acid
+[CH2][O]	OMB	oxymethylene bridging group
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	OMC	o2'-methylycytidine-5'-monophosphate
+c1cc(c(cc1O)CC(=O)O)O	OMD	2-(3,6-dihydroxyphenyl)acetic acid
+C[O]	OME	methoxy group
+COc1ccc(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl	OMF	1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O	OMG	o2'-methylguanosine-5'-monophosphate
+CO[P@](=O)(O)OC[C@@H](C(=O)O)N	OMH	o-[(s)-hydroxy(methoxy)phosphoryl]-l-serine
+CN1CC(=O)c2c1cccc2	OMI	1-methyl-1,2-dihydro-3h-indol-3-one
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@H]3C(=O)O	OMJ	(3s)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid
+Cc1ccccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F	OMK	(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-(2-methylphenyl)ethanamide
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5F)C(=O)O)F)F)Cl	OMM	4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid
+Cn1c(c(c(n1)c2cc(c(cc2F)Cl)C(=O)O)Br)C(F)(F)F	OMN	4-bromo-3-(5'-carboxy-4'-chloro-2'-fluorophenyl)-1-methyl-5-trifluoromethyl-pyrazol
+O[Mo+6](=O)O	OMO	mo(vi)(=o)(oh)2 cluster
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O	OMP	orotidine-5'-monophosphate
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	OMR	[(2s,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCC6)C)C(=O)NS(=O)(=O)C7(CC7)C	OMS	1-methylcyclobutyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CS(=O)(=O)CC[C@@H](C(=O)O)N	OMT	s-dioxymethionine
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	OMU	o2'-methyluridine 5'-monophosphate
+CCC1(CCCC1)OC(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)Oc5c(nc6ccc(cc6n5)OC)C)C(=O)NS(=O)(=O)C7(CC7)C	OMV	1-ethylcyclopentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+c1cc(cc(c1)C(F)(F)F)COc2ccc(c(c2F)C(=O)N)F	OMW	2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
+c1cc(ccc1[C@H]([C@@H](C(=O)O)N)O)O	OMX	(betar)-beta-hydroxy-l-tyrosine
+c1cc(c(cc1[C@H]([C@@H](C(=O)O)N)O)Cl)O	OMY	(betar)-3-chloro-beta-hydroxy-l-tyrosine
+c1cc(c(cc1[C@H]([C@H](C(=O)O)N)O)Cl)O	OMZ	(betar)-3-chloro-beta-hydroxy-d-tyrosine
+c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CN)O)O)N)O)O)N)N)N)O	ON0	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-o-benzylidene-2-deoxy-alpha-d-glucopyranoside
+c1cc(c(cc1Cc2nc(c(c(n2)O)O)C(=O)O)Cl)Cl	ON1	2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
+Cc1c(c(c([nH]1)C(=O)Nc2nc3ccc(cc3s2)NC(=O)CCN)Cl)Cl	ON2	n-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1h-pyrrole-2-carboxamide
+Cc1c(cc(cc1OC)[C@H]([C@H](COc2ccc(cc2)C3(CC3)C(=O)O)OC4Cc5ccccc5C4)O)OC	ON3	1-(4-{[(2s,3r)-2-(2,3-dihydro-1h-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan ecarboxylic acid
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C	ON4	1-methylcyclopropyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O)O	ON5	(z)-7-[(1r,2r,3r,5r)-5-chloranyl-3-oxidanyl-2-[(e,3s)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
+c1cc(c(c(c1)Cl)CS(=O)(=O)c2ccc3c(c2)NC(=O)/C(=C/c4ccc(c(c4)[N](=O)O)O)/S3)Cl	ON6	(2~{z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{h}-1,4-benzothiazin-3-one
+Cc1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CC(=O)O)O)OC	ON7	{1-[(2s,3s)-2-(2,3-dihydro-1h-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1 h-pyrrol-3-yl}acetic acid
+[H]/N=C(/N)\NOCC[C@@H](C=O)N	ON8	1-[(3~{s})-3-azanyl-4-oxidanylidene-butoxy]guanidine
+CC(=O)c1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CCC(=O)O)O)OC	ON9	3-{1-[(2s,3s)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1h-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1h-pyrrol-3-yl}propanoic acid
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	ONA	3'-o-[2-(methylamino)benzoyl]adenosine 5'-(tetrahydrogen triphosphate)
+c1ccc2c(c1)C=Cc3ccccc3N2	ONB	5h-dibenzo[b,f]azepine
+Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5	ONC	7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4h)-one
+c1ccc(c(c1)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N)N	OND	4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
+C1=CN(C=CC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	ONE	1-(beta-d-ribofuranosyl)-pyridin-4-one-5'-phosphate
+c1ccc2c(c1)CN(C2)C(=O)c3ccc(c(c3)Sc4ccc5c(c4)OCCO5)O	ONG	{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2h-isoindol-2-yl)methanone
+C(C[C@@H](C(=O)O)N)CNO	ONH	n~5~-hydroxy-l-ornithine
+Cc1ccc(cc1C)Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3	ONJ	(1,3-dihydro-2h-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H](C(=C)C)O	ONK	n-hexanoyl-l-valyl-n~1~-[(3s,4s)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide
+CC(=O)CC[C@@H](C(=O)O)N	ONL	5-oxo-l-norleucine
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	ONM	3'-o-(n-methylanthraniloyl)-guanosine-5'-triphosphate
+c1ccc(c(c1)CC(=O)O)CNC(=O)[C@@H]2CSSCC[C@@H](C(=O)N[C@H](CC(=O)N2)Cc3ccc(cc3)O)N	ONN	2-[2-[[[(4~{r},8~{s},11~{s})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid
+CC(C)(C)[C@@H](C=O)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc(cc3)C(N)N)OC	ONO	2-[2-({[4-(diaminomethyl)phenyl]amino}carbonyl)-6-methoxypyridin-3-yl]-5-{[(1-formyl-2,2-dimethylpropyl)amino]carbonyl}benzoic acid
+[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccccc1[N+](=O)[O-])(F)(F)F	ONP	o-nitrophenyl aminoethyldiphosphate beryllium trifluoride
+COc1ccc(cc1)C(=O)NCC(=O)N	ONQ	~{n}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide
+c1cc(c(cc1Cl)c2ccno2)O	ONR	4-chloro-2-isoxazol-5-yl-phenol
+Cn1c2ccc(c(c2cc1C(=O)NC3(COC3)c4ccc(cc4)[C@@H](c5cccnc5)C(=O)O)Cl)Cl	ONS	(2s)-(4-{3-[(4,5-dichloro-1-methyl-1h-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid
+C[C@@H](COCCOC)N	ONT	(2~{s})-1-(2-methoxyethoxy)propan-2-amine
+c1cc(ccc1[C@@H](CO)NC(=O)c2cc3cc(c(cc3[nH]2)OC[C@@H]4CNC(=O)O4)Cl)C(=O)O	ONV	4-{(1s)-1-[(5-chloro-6-{[(5s)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1h-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid
+C[C@H](CO[C@H](C)COCCOC)N	ONW	(2~{r})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
+CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@H](C=CCCCCCCCCCCCCCCC)O	ONX	n-[(2r,3s)-3-oxidanylicos-4-en-2-yl]icosanamide
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N(C)CCc3nc(on3)C	ONY	2-[4-(4-cyano-3-methylphenoxy)phenyl]-n-methyl-n-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
+c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O	ONZ	2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid
+Cc1ccc(cc1)NC(=O)O	OO1	(4-methylphenyl)carbamic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4	OO2	[(2~{r},3~{s},4~{r},5~{r})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid
+COC(=O)N[C@@H](C1CC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OO4	methyl [(1s)-1-cyclopropyl-2-({(2s,3s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
+c1c2c(nc(nc2n(n1)[C@H]3[C@@H]([C@@H]([C@H](O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4	OO5	[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid
+Cc1c2nc(c(n2ccn1)NC(=O)NCc3cc(ccc3OC(F)(F)F)COC)c4ccccc4	OO7	n-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-n'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
+c1ccc(cc1)CNC(=O)COc2ccccc2P(=O)(O)O	OO8	[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid
+CCCCCC(=O)CC(=O)O	OOA	3-oxooctanoic acid
+c1ccc(cc1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	OOB	5'-o-[(r)-(benzoyloxy)(hydroxy)phosphoryl]adenosine
+CCCCCCCCS[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	OOC	octyl 4-o-beta-d-allopyranosyl-1-thio-beta-d-altropyranoside
+CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)COC(=O)c3ccc(cc3)n4cnnn4	OOD	2-[(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)amino]-2-oxoethyl 4-(1h-tetrazol-1-yl)benzoate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6N=C(NC7=O)N)O)F)N	OOE	2',2'-difluoro-3',3'-cgamp
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F)F)Cl	OOF	4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
+C(CC(=O)C(=O)O)CC(=O)O	OOG	2-oxoadipic acid
+CCCCC(=O)C1=C(C(=O)c2c(c(cc(c2O)O)O)C1=O)O	OOH	3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione
+CC1=CN2C(=NC(=CC2=O)CSc3nnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F)C=C1	OOJ	n-(5-{[(7-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-n'-[3-(trifluoromethyl)phenyl]urea
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5c(cc(cc5F)C(=O)O)F)F)F)Cl	OOK	4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid
+CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)CSc3nnnn3c4ccc(cc4)O	OOM	n-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1h-tetrazol-5-yl]sulfanyl}acetamide
+CCOC(=O)[C@H](CC(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOO	ethyl (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)[C@H](CO)C(=C)CCO[P@](=O)(O)OP(=O)(O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	OOP	1-deoxy-1-[(4ar)-4a-[(2r)-1-hydroxy-5-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+CC(C)C[C@@H](C(=O)[O-])[NH2+]C1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOQ	(2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate
+CC(C)C[C@@H](C(=O)N)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOS	(2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide
+CC(C)C[C@@H](C(=O)NC)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOU	(2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{n},4-dimethyl-pentanamide
+CC(C)C[C@@H](C(=O)N(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOV	(2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{n},~{n},4-trimethyl-pentanamide
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)COP(=O)(O)O)O)OC(=O)C	OOW	{[(2r,3s,4r,5s,6r)-5-acetamido-3-hydroxy-4-(2-oxopropyl)-6-(phosphonooxy)oxan-2-yl]methoxy}phosphonic acid
+c1ccc(cc1)Oc2cccc(c2)C(=O)Nc3ccc(cc3N4CCOCC4)N5CCOCC5	OOY	n-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide
+CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)O)C)\C	OOZ	(1~{r},9~{s},12~{s},13~{r},14~{s},17~{r},18~{e},21~{s},23~{s},24~{r},25~{s},27~{r})-17-ethyl-25-methoxy-12-[(~{e})-1-[(1~{r},3~{r},4~{r})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NOCCN	OP0	(2s,5r)-n-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N1[C@H](CCC1=O)C(=O)O	OP1	1-[(1s)-4-carbamimidamido-1-carboxybutyl]-5-oxo-d-proline
+C(COCCOCCOCCOCCOCC(=O)O)O	OP2	2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid
+CC(C)N(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C)F	OP4	5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-n,n-di(propan-2-yl)benzamide
+C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC(=O)C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC	OP5	(1~{r},9~{s},12~{s},13~{r},14~{s},17~{r},18~{e},21~{s},23~{s},24~{r},25~{s},27~{r})-23,25-dimethoxy-12-[(~{e})-1-[(1~{r},3~{r},4~{r})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
+COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OP7	methyl [(1s)-1-cyclopentyl-2-({(2s,3s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
+CC[C@@H]1[C@@H]2[C@](O2)(C[C@@H](C[C@@H]([C@@H]3[C@H](C[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C)O)C)OC)OC)C)C	OP8	(1ar,3r,5s,6r,7s,9r,10r,17as,20s,21r,22s,25r,25ar)-25-ethyl-10,22-dihydroxy-20-{(1e)-1-[(1r,3r,4r)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2h-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1ah,14h)-tetrone
+C1COCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O	OPA	2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid
+CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3	OPB	4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
+CCCCCCCCC\C=C/CCCCCCC(=O)OC[C@](C)(CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C\CCCCCCCCC	OPC	(7r,17e)-4-hydroxy-n,n,n,7-tetramethyl-7-[(8e)-octadec-8-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-17-en-1-aminium 4-oxide
+CCC=CC[C@@H]1[C@@H](C=CC1=O)CCCCCCCC(=O)O	OPD	9r,13r-12-oxophytodienoic acid
+C(COP(=O)(O)O)N	OPE	phosphoric acid mono-(2-amino-ethyl) ester
+CCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O	OPF	(2s)-2-[[(2s)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
+C1[C@@H]([C@H]([C@@H]([C@]2([C@@H]1O2)CO)O)O)O	OPG	oxiranpseudoglucose
+COC(=O)[C@H](Cc1ccccc1)O	OPH	2-hydroxy-3-phenyl-propionic acid methyl ester
+CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCO)O	OPI	pantothenyl-aminoethanol-11-pivalic acid
+COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OPJ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate
+CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCNC(=O)OCc1ccc(cc1)[N+](=O)[O-])N	OPK	(2~{s})-2-[[(2~{s})-2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid
+C[C@H]([C@H](C=O)O)C(O)O	OPL	(2r,3r)-2,4,4-trihydroxy-3-methylbutanal
+CCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	OPM	pentyl alpha-d-mannopyranoside
+c1cc2c(nc1)NC(=O)C(=C2)CC(=O)N(CC[NH3+])CC(=O)O	OPN	{(2-amino-ethyl)-[2-(2-oxo-1,2-dihydro-[1,8]naphthyridin-3-yl)-acetyl]-amino}-acetic acid
+c1ccc(c(c1)[N+](=O)[O-])O	OPO	o-nitrophenol
+C1=CC(=O)N(C1=O)COCN2C(=O)C=CC2=O	OPP	1-[pyrrol-1-yl-2,5-dione-methoxymethyl]-pyrrole-2,5-dione
+CCCCNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)Cc1ccc2ccccc2c1)O	OPQ	((3s,4s)-4-((2s,3s)-2-(2-(napthalen-6-yl)acetamido)-3-methylpentanamido)-n-butyl-3-hydroxy-6-methylheptanamide)
+[H]/N=C(\N)/NCCC[C@@H](C(=O)CCC(=O)O)N	OPR	(5s)-5-amino-8-carbamimidamido-4-oxooctanoic acid
+C(CSC(=O)CC[S-])C=O	OPS	3-oxo-3-[(3-oxopropyl)sulfanyl]propane-1-thiolate
+c1ccc(cc1)CCNC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CCCNC(N)N)NC(=O)[C@H](CSCc3ccccc3)NC(=O)Cc4ccc(cc4)c5ccccc5	OPT	s-benzyl-n-(biphenyl-4-ylacetyl)-l-cysteinyl-n~5~-(diaminomethyl)-d-ornithyl-n-(2-phenylethyl)-l-tyrosinamide
+C[C@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O	OPV	~{n}-[(4~{s},5~{s})-2-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide
+CC(=O)Nc1cc(cnc1)c2nc3cc(ccc3s2)OC	OPW	~{n}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide
+C1CCC(CC1)NCC2(C[C@H]([C@H](C2)O)O)S(=O)(=O)O	OPX	(1s,3r,4s)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid
+C1CCN(CC1)C(=O)[C@H](CCN)N	OPY	(3s)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine
+C[C@@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O	OPZ	~{n}-[(4~{s},5~{r})-2-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide
+CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)C(F)F)O)O	OQ1	(3ar,5s,6s,7r,7ar)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+CCC(=O)N1CC[C@H](C1)Nc2nccc(n2)Oc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)CC	OQ2	~{n}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{r})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
+CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O	OQ5	20-[[(2~{s})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid
+COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OQ7	methyl [(1s)-1-cyclopentyl-2-({(2s,4s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
+CCC(=O)N1CC[C@@H](C1)Nc2nccc(n2)Oc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)CC	OQ8	~{n}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{s})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
+CC[C@@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQA	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+c1ccc2c(c1)ncc(n2)Nc3ccc(cc3)C(=O)NCc4ccc(cn4)C(=O)N[C@@H](CC(=O)O)C=O	OQB	4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid
+c1cc(c(cc1CN)Cl)c2ccoc2	OQC	[3-chloranyl-4-(furan-3-yl)phenyl]methanamine
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQD	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+c1ccc(cc1)CCNC(=O)COc2ccccc2P(=O)(O)O	OQE	[2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQG	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+CCNC(=O)CCC(=O)c1ccccc1	OQH	~{n}-ethyl-4-oxidanylidene-4-phenyl-butanamide
+COc1ccc(cc1NC(=O)Nc2ccc3c(c2)sc(n3)NC(=O)c4ccccc4)Cl	OQJ	n-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide
+Cc1c(c(n2c(n1)nc(n2)c3cccnc3)C)CC(=O)Nc4cccc(c4)C(F)(F)F	OQM	2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-n-[3-(trifluoromethyl)phenyl]acetamide
+CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N=C(NC3=O)N	OQN	6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OQP	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3s,5s)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate
+CNc1[nH]c2cc3c(c(c2n1)CCc4ccc(cc4)C(F)(F)F)NC(=NC3=O)N	OQQ	6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CC(C)NC[C@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO	OQR	{(2r)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
+COc1ccc(cc1)n2c3c(cn2)C(=O)N(C=N3)CC(=O)Nc4cc(ccc4Cl)C(F)(F)F	OQS	n-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5h-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
+c1ccc2c(c1)CC=C[C@@H]2Nc3c(cc(c(c3S(=O)(=O)N)F)F)F	OQT	2-[(1s)-1,2,3,4-tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQV	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3s,5s)-3-hydroxy-5-{[n-(methoxycarbonyl)-3-methyl-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+c1c(c(c(c(c1F)F)S(=O)(=O)N)NC2CCCCCCC2)F	OQW	2-(cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQY	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-3-methyl-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(s3)Cl)N	OQZ	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)C	OR1	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
+c1ccc(cc1)COc2ccc3c(c2)occ3CC(=O)O	OR4	[6-(benzyloxy)-1-benzofuran-3-yl]acetic acid
+C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O	OR5	open form of ribofuranose-5'-phosphate
+CN(CCOC)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl	OR7	2-chloro-n-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide
+Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3c(nn(c3Cl)C)C	OR8	2-chloro-n-[[4-(3,5-dimethylisoxazol-4-yl)phenyl]methyl]-1,4-dimethyl-1h-pyrazole-4-sulfonamide
+CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O	OR9	(6ar)-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-10,11-diol
+c1ccc(cc1)/N=N/c2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O	ORA	7-hydroxy-8-[(e)-phenyldiazenyl]naphthalene-1,3-disulfonic acid
+Cc1c(c(on1)C)S(=O)(=O)N[C@H](C)c2ccc(cc2)c3cc(cnc3Cl)F	ORB	n-{(1r)-1-[4-(2-chloro-5-fluoropyridin-3-yl)phenyl]ethyl}-3,5-dimethylisoxazole-4-sulfonamide
+Cc1c(c(on1)C)c2ccc(cc2)[C@@H](C)NS(=O)(=O)c3c(noc3C)C	ORC	(r)-n-[1-[4-(3,5-dimethylisoxazol-4-yl)phenyl]ethyl]-3,5-dimethylisoxazole-4-sulfonamide
+C(C[C@H](C(=O)O)N)CN	ORD	d-ornithine
+c1cc(c(cc1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C=C3Oc4c2cc(c(c4)O)F)F	ORE	4-(2,7-difluoro-6-hydroxy-3-oxo-3h-xanthen-9-yl)isophthalic acid
+C1CCC(CC1)Nc2nc(nc(n2)N3CCNCC3)C#N	ORG	4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
+c1cc(cc(c1)N2C(=O)N(C(=O)C(=N2)C#N)CCCN3CCCCC3)C(F)(F)F	ORH	3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
+c1ccc2c(c1)c(ccc2O)/N=N/c3ccc(cc3)S(=O)(=O)O	ORI	4-[(e)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
+CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F	ORJ	2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-n-methylacetamide
+C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O	ORK	(2~{s})-2-[[(2~{s})-4-methyl-2-[[oxidanyl-[(1~{s})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid
+CC(C)NS(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl	ORM	2-chloro-n-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide
+C(C[C@@H](C(=O)O)N)CN	ORN	l-ornithine
+C1=C(NC(=O)NC1=O)C(=O)O	ORO	orotic acid
+C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O	ORP	2-deoxy-5-phosphono-ribose
+CC(=O)NCCC[C@@H](C(=O)O)N	ORQ	n~5~-acetyl-l-ornithine
+CC12C3([Rh]145(C2(C4(C53C)C)C)(Cl)Cl)C	ORS	dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium
+C(CC(=O)NN)[C@@H](C=O)N	ORT	(4~{s})-4-azanyl-5-oxidanylidene-pentanehydrazide
+C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	ORV	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+[H]/N=C\N(C)N(C)C(=O)[C@H](CC(C)C)NC(=O)NCc1ccccc1	ORW	1-[(2~{s})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCCN)C(=O)O)O	ORX	n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-d-ornithine
+[Os+3]	OS	osmium ion
+c1ccc2c(c1)c3c4c(c5c6c3n2[Ru]7([N]6=CC(=C5)N)(NCC8=[N]7C=CC=C8)(C#O)Cl)C(=O)NC4=O	OS1	ruthenium octasporine
+C#CCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	OS2	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol
+C#CCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	OS3	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol
+[Os+4]	OS4	osmium 4+ ion
+c1ccc(cc1)Cn2cc(nn2)CCCSC[C@H]3CN(C[C@@H]3O)Cc4c[nH]c5c4ncnc5N	OS5	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1h-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol
+CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N	OS6	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1h-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N	OS7	7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC	OS8	(4~{r})-~{n}-[3-(7-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
+c1cc2c(cc1N)cc(c(c2O)/N=N/c3ccc4c(c3)cc(cc4O)S(=O)(=O)O)S(=O)(=O)O	OSA	7-amino-4-hydroxy-3-[(e)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
+c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O	OSB	2-succinylbenzoate
+c1ccc(cc1)C[C@H](C(=O)N2[C@H]3C[C@@H](CC[C@H]3C[C@H]2C(=O)NCCC4=CCN(C4)C(=N)N)O)NC(=O)[C@@H](Cc5ccccc5)O	OSC	(2r,3as,6r,7as)-n-(2-{1-[amino(imino)methyl]-2,5-dihydro-1h-pyrrol-3-yl}ethyl)-6-hydroxy-1-{n-[(2s)-2-hydroxy-3-phenylpropanoyl]phenylalanyl}octahydro-1h-indole-2-carboxamide
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N	OSD	7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine
+C([C@@H](C(=O)O)N)OS(=O)(=O)O	OSE	o-sulfo-l-serine
+CCCCCCCCOS(=O)(=O)[O-]	OSF	octyl sulfate
+CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C	OSG	7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine
+CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C	OSJ	7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine
+C([C@H](C(=O)O)O)OS(=O)(=O)O	OSL	(2r)-2-hydroxy-3-(sulfooxy)propanoic acid
+C(N)[S@@H]=O	OSM	1-(oxidosulfanyl)methanamine
+C[C@@H]1CC(=O)Nc2cccc(c2N1)/C=C/CCCN3CCCc4c3cc(cc4)OC	OSN	(4~{r})-6-[(~{e})-5-(7-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
+c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N	OSP	sulthiame
+C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCC(CN3CCCc4c3cccc4)(F)F	OSQ	(3~{r})-~{n}-[3-(3,4-dihydro-2~{h}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-quinoxaline-5-carboxamide
+C(CCC(=O)O)C[C@@H](CCSCN)SSCCO	OSS	6-(hydroxyethyldithio)-8-(aminomethylthio)octanoic acid
+CO\C=C(/c1ccccc1\C=C\c2ccccc2)\C(=O)OC	OST	methyl (2z)-3-methoxy-2-{2-[(e)-2-phenylvinyl]phenyl}acrylate
+CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	OSU	n-octanoylsucrose
+CC(C)Oc1ccc2c(c1)C3=C4C(C5=CC(=CN6C5=C3N2[Ru]678(S9CCS7CCS8CC9)NC#S)F)C(=O)NC4=O	OSV	ruthenium octasporine 4
+B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCCS(=O)(=O)N)CCCS(=O)(=O)N	OSW	metala-carborane di-propyl-sulfonamide
+Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N	OSY	7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N5CCNCC5)N	OSZ	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CC12C3([Ir]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C	OT1	2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole
+c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O	OT2	7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{h}-naphthalene-1,3-disulfonic acid
+Cc1cc(nc2c1ccc(c2)c3cccc(c3)CCN)N	OT4	7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
+CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl	OT5	1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone 
+c1ccc(cc1)Oc2ccc(cc2)n3cc(nn3)CNc4ccnc(c4)C(F)(F)F	OT8	~{n}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
+C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O	OTA	2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid
+CC(C)(C)OC(=O)O	OTB	tertiary-butoxyformic acid
+C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@@H]31)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O	OTC	oxytetracycline
+C1=C(NC(=O)N[C@H]1C(=O)O)C(=O)O	OTD	2-oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylic acid
+CCCCCCCCOCCOCCOCCOCCO	OTE	2-{2-[2-(2-octyloxy-ethoxy)-ethoxyl]-ethoxy}ethanol
+c1ccc(cc1)[C@@H]2[C@H]([C@@]2(C(=O)NO)F)c3ccc(cc3)c4ncc(cn4)F	OTF	(1s,2s,3s)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide
+Cc1ccccc1C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O	OTG	2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-d-glucopyranose
+C[C@H]([C@@H](C(=O)O)NC)OC	OTH	n,o-dimethyl-l-threonine
+COC(=O)Nc1ccc(cc1)c2c([nH]c(n2)CNC(=O)CCc3cc(ccc3N4C=NNN4)Cl)Cl	OTJ	methyl n-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1h-imidazol-4-yl]phenyl]carbamate
+CCCC(=O)O[C@H]1C[C@]([C@H]2C[C@H]([C@@H]([C@H]2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C	OTK	(3s,3ar,4s,6s,6as,8r,9r,9ar,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate
+c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)c3[nH]nnn3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	OTM	(2s)-2-[[(e)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-n-[4-(1h-1,2,3,4-tetrazol-5-yl)phenyl]propanamide
+c1ccc(c(c1)[N+](=O)[O-])S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	OTN	2-nitrophenyl 1-thio-beta-d-galactopyranoside
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C	OTP	(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl trihydrogen diphosphate
+c1cc(oc1[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2)[N+](=O)[OH-]	OTQ	(2~{s})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{h}-[1]benzothiolo[2,3-d]pyrimidin-4-one
+c1cc(ccc1[C@H](CN)O)O	OTR	4-(2r-amino-1-hydroxyethyl)phenol
+c1cc(ccc1[C@@H](CN)O)O	OTS	4-(2s-amino-1-hydroxyethyl)phenol
+C/C=C/C=C/C=C/C(=O)O	OTT	(2e,4e,6e)-octa-2,4,6-trienoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O	OTU	3-o-alpha-d-glucopyranosyl-d-fructose
+Cc1cc(nc2c1cc(cc2)N)N	OTW	4-methylquinoline-2,6-diamine
+c1cc(c(cc1O)O)C[C@@H](C(=O)O)N	OTY	2-hydroxy-l-tyrosine
+c1c(nc(o1)CN)c2nc(cs2)C(=O)O	OTZ	2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N	OU1	7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine
+CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4	OU2	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N	OU4	7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+C[C@H]1CN(CCN1c2cc(cc(c2)F)F)C(=O)CC[C@@]3(C(=O)NC(=O)N3)C4CC4	OU5	(5~{s})-5-[3-[(3~{s})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs4)N	OU7	7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N	OUA	7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine
+c1c2c(co1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	OUB	(s)-1-(2'-amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione
+Cc1cc(cc(c1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)C)O	OUC	(3~{s},6~{s})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
+C([C@@H](CNC(=O)O)N)C(=O)O	OUD	(3~{s})-3-azanyl-4-(carboxyamino)butanoic acid
+C(CC(=O)O)[C@@H](CNC(=O)O)N	OUE	(4~{s})-4-azanyl-5-(carboxyamino)pentanoic acid
+Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N	OUG	7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine
+c1c([nH]cn1)C[C@@H](CNC(=O)O)N	OUH	[(2~{s})-2-azanyl-3-(1~{h}-imidazol-5-yl)propyl]carbamic acid
+CC[C@H](C)[C@@H](CNC(=O)O)N	OUI	[(2~{s},3~{s})-2-azanyl-3-methyl-pentyl]carbamic acid
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn4)N	OUJ	7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+C(CC[NH3+])C[C@@H](CNC(=O)O)N	OUK	[(5~{s})-5-azanyl-6-(carboxyamino)hexyl]azanium
+c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)N	OUL	4-(4-aminocarbonylphenoxy)benzamide
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc(cc4)C#N)N	OUM	4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N	OUP	7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine
+CC1(CO[C@@H](CN1)c2cccc(c2)F)C	OUQ	(2~{r})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine
+C(C[C@@H](CNC(=O)O)N)CNC(=[NH2+])N	OUR	[azanyl-[[(4~{s})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N	OUS	7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+C(=O)(N)O	OUT	carbamic acid
+CNc1ccnc(c1)C(=O)NC	OUW	~{n}-methyl-4-(methylamino)pyridine-2-carboxamide
+COC(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O	OUY	methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate
+CCNCCN1C[C@@H](OC[C@H]1C)c2ccccc2	OUZ	~{n}-ethyl-2-[(2~{s},5~{r})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC[S@](=O)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CO)O	OV1	n-[(2s)-1-({(2s)-1-{[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(r)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CO)O	OV2	n-hexanoyl-l-valyl-n~1~-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide
+C(C(=O)O)S[C@H](C(=O)O)N	OV7	(2r)-amino[(carboxymethyl)sulfanyl]acetic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CN)O)O)N	OV8	[(2~{r},3~{s},4~{s},5~{r})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC(=CC[C@@H]1[C@@](O1)(C)[C@]2([C@@H](C(=O)CC[C@@]2(C)O)OC)O)C	OVA	3,4-dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-but-2-enyl) -oxiranyl]-cyclohexanone
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccc(cc3)OC(F)(F)F)O)O)N	OVB	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)S)N	OVE	2'-o-(sulfidophosphinato)adenosine
+CCCCOc1ccc2c(c1)occ2CC(=O)O	OVG	(6-butoxy-1-benzofuran-3-yl)acetic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccccc3)O)O)N	OVH	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O	OVJ	{6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)CCn2nc(nn2)c3ccccc3)O)O)N	OVK	[(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+COc1cccc(c1)C(=O)O	OVM	3-methoxybenzoic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCCCO)O)O)N	OVN	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(4-oxidanylbutyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CSc1cccc(c1)C(=O)O	OVP	3-(methylsulfanyl)benzoic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3cccnc3)O)O)N	OVQ	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+c1ccc(cc1)Oc2ccc3c(c2)occ3CC(=O)O	OVS	(6-phenoxy-1-benzofuran-3-yl)acetic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCc3ccccc3)O)O)N	OVT	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(2-phenylethyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+Cc1cccc(c1)C(=O)O	OVV	3-methylbenzoic acid
+CCCCCCCCc1cn(nn1)CCC[C@@H]2CO[C@@H]([C@H]([C@H]2O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N	OVW	[(2~{r},3~{s},4~{s},5~{r})-5-[3-(4-octyl-1,2,3-triazol-1-yl)propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC(=O)N[C@H]([C@H](C/C(=N\O)/C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	OVY	(2e,4s,5r,6r,7s,8r)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name)
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNCc3ccccc3)O)O)N	OVZ	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)amino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)NCc3ccccc3)O)O)N	OW2	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)carbamoylamino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CNc1cccc(c1)C(=O)O	OW4	3-(methylamino)benzoic acid
+CCCCCc1ccc(cc1)c2cn(nn2)CCC[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N	OW5	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CCOc1cccc(c1)C(=O)O	OW7	3-ethoxybenzoic acid
+CNC(=O)c1c2c([nH]n1)CCC2	OW8	~{n}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
+CN1C[C@H](CC1=O)CC(=O)OC	OWA	methyl [(3r)-1-methyl-5-oxopyrrolidin-3-yl]acetate
+CC(=O)Nc1cccc(c1)Oc2cc(nc(n2)c3ccncc3)[C@@H]4CCCNC4	OWB	~{n}-[3-[6-[(3~{r})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide
+c1cc(ccc1CC(=O)O)Oc2cnc3cc(ccc3n2)Cl	OWD	{4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
+COc1ccc(cc1)[C@H]2c3cc(c(cc3CNN2C(=O)CCc4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)OC)OC	OWG	3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1h)-yl]propan-1-one
+CNC(=S)c1cccnc1	OWH	~{n}-methylpyridine-3-carbothioamide
+Cc1cc(cc(c1)[C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)C	OWJ	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(3,5-dimethylphenyl)phthalazin-2(1h)-yl]prop-2-en-1-one
+[B]1B2B13B4B56B2B578B649[Co]7124567(B9[C+]31(C82)CCS(=O)(=O)N)B1B2B38B229B1B212B93B41(B52)[C+]68(C7)CCS(=O)(=O)N	OWK	metala-carborane di-ethyl-sulfonamide
+c1cc(ccc1Nc2ccc(cc2)Nc3[nH]ccn3)Nc4[nH]ccn4	OWL	n-1h-imidazol-2-yl-n'-[4-(1h-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@@H](c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N	OWM	(2e)-1-[(1r)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one
+COC(=O)c1ccc2c(c1)N(CCN2C(=O)C=C)CC3CC3	OWN	methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3CN2)Cc4ccccc4)Cc5cnc(nc5N)N	OWP	(2e)-1-[(1s)-1-benzylphthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one
+COc1ccc(cc1)n2c3c(cnc(n3)N[C@@H]4CCN(C4)c5ccncc5)nn2	OWQ	3-(4-methoxyphenyl)-~{n}-[(3~{r})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
+Cc1ccc(cc1)[C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N	OWS	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(4-methylphenyl)phthalazin-2(1h)-yl]prop-2-en-1-one
+CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)[C@H](CCCCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O	OWT	~{n}-[(5~{s})-6-azanyl-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide
+CCC(CC)[C@H]1c2ccccc2CNN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	OWV	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1h)-yl]prop-2-en-1-one
+C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@@H](c2ccccc2)c3ccc(cc3)OC(F)(F)F)N(C(=O)N)O	OWW	3-[(3~{r})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{n}-[(3~{s})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide
+CCN(CC)C(=O)c1ccc(cc1)[C@H](c2cccc(c2)O)N3C[C@H](N(C[C@@H]3C)Cc4ccccc4)C	OWY	4-[(r)-[(2s,5r)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-n,n-diethylbenzamide
+C[C@H]1CO[C@@H](CN1)c2ccccc2Cl	OWZ	(2~{r},5~{s})-2-(2-chlorophenyl)-5-methyl-morpholine
+O	OX	bound oxygen
+CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O	OX1	[2'-carboxylethyl]-10-methyl-anthracene endoperoxide
+Cc1nnc(o1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	OX2	(1r)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-d-glucitol
+c1cc(ccc1C=NOC(=O)C2CCCCC2)O	OX3	4-hydroxybenzaldehyde o-(cyclohexylcarbonyl)oxime
+c1cc(c(cc1\C=N\OC(=O)C2CCCCC2)F)O	OX4	3-fluoro-4-hydroxybenzaldehyde o-(cyclohexylcarbonyl)oxime
+CC(C)(C)CC(=O)O/N=C/c1ccc(cc1)O	OX5	4-hydroxybenzaldehyde o-(3,3-dimethylbutanoyl)oxime
+CC(C)[C@H](c1nnco1)NC(=O)OC(C)(C)C	OX6	tert-butyl [(1r)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
+CC(C)[C@@H](c1nnco1)NC(=O)OC(C)(C)C	OX7	tert-butyl [(1s)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
+CC[O]	OXA	oxydimethylene group
+Cc1ccc(c(c1)[C@@H]2CN([C@H](CO2)C)CCCS(=O)(=O)N)C	OXB	3-[(2~{r},5~{s})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide
+C1(NC(=O)NC(=O)N1)C(=O)O	OXC	oxonic acid
+C(=O)(C(=O)O)O	OXD	oxalic acid
+Cc1ccccc1C	OXE	ortho-xylene
+C12=NC(=O)N=C1N=C(NC2=O)N	OXG	8-oxoguanine
+CCN1C=C(C(=O)c2c1cc3c(c2)OCO3)C(=O)O	OXI	oxolinic acid
+CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	OXJ	1-[3,5-bis(trifluoromethyl)phenyl]-n-methylmethanamine
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(=O)O)O	OXK	oxalyl-coenzyme a
+C(=O)(C(=O)[O-])[O-]	OXL	oxalate ion
+C(=O)(C(=O)O)N	OXM	oxamic acid
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	OXN	oxtoxynol-10
+O	OXO	oxo group
+C\C=C/C(=O)C(=O)O	OXP	2-oxo-3-pentenoic acid
+c1(c(non1)O)C(=O)O	OXQ	4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
+CC1=C(C(CCC1=O)(C)C)\C=C\C(=C\C=C\C(=C\CO)\C)\C	OXR	4-oxoretinol
+C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O	OXS	2-oxalosuccinic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	OXT	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1r,11r,15s,17r)-19-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium 
+CCCCC(=O)NCCOCCOCCOCCNC(=O)C[N]1=C(Sc2c1cccc2)CC3=CC=[N](c4c3cccc4)C	OXV	~{n}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
+CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5ccc(cc5C#N)F	OXW	5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile
+C([C@@H](C(=O)O)N)C(=O)OC(=O)C(=O)[O-]	OXX	oxalyl-aspartyl anhydride
+O=O	OXY	oxygen molecule
+C1[C@H]([C@@H]([C@H](ON1)CO)O)O	OXZ	tetrahydrooxazine
+CCC[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)C(C)(C)C	OY0	(2s)-2-tert-butyl-n-(4-sulfamoylphenyl)pentanamide
+CCC(=O)N1CCN(c2c1ccc(c2)C(=O)OC)CC	OY2	methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate
+CC(=O)NCCSc1c(non1)/C(=N/O)/N[C@H]2Cc3c2cc(cc3)F	OY4	n-{2-[(4-{n-[(7s)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-n'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide
+B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCS(=O)(=O)N)CCS(=O)(=O)N	OY5	ca ix mimic
+B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCS(=O)(=O)N)CCS(=O)(=O)N	OY8	metala-carborane di-ethyl-sulfonamide
+CCCCCCCC=O	OYA	octanal
+COc1ccc(cc1)n2c3c(cnc(n3)NC4CCC(CC4)N)nn2	OYB	~{n}4-[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine
+CC/C=N/C1=C(NC(=O)NC1=O)NCCCCCO	OYD	6-[(5-hydroxypentyl)amino]-5-[(e)-propylideneamino]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C[n+]2cn(c3c2C(=O)N=C(N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O	OYE	bn7gpppg mrna 5' cap analog
+CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)C	OYG	6-methyl-5-[(1e)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1h,3h)-dione
+CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl	OYJ	(3r,4r)-1-methanesulfonyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-3-fluoro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+CNc1c2c(ncn1)n(cn2)C	OYK	~{n},9-dimethylpurin-6-amine
+CCn1cc(nc1)C[C@@H](C(=O)O)N	OYL	1-ethyl-l-histidine
+CNc1c2c([nH]cn2)nc(n1)Cl	OYN	2-chloranyl-~{n}-methyl-9~{h}-purin-6-amine
+CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O	OYP	3-{4-[(tridec-2-yn-1-yloxy)methyl]phenyl}propanoic acid
+CC[C@H](C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N	OYQ	(4s)-4-methyl-n-(4-sulfamoylphenyl)hexanamide
+c1ccc(cc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N	OYS	2-phenyl-n-(4-sulfamoylphenyl)acetamide
+CNc1c2c(ncn1)n(cn2)C3CC3	OYT	9-cyclopropyl-~{n}-methyl-purin-6-amine
+CC(=O)/C=C/C1=C(NC(=O)NC1=O)CC[C@@H]([C@@H]([C@@H](CO)O)O)O	OYV	1,2-dideoxy-1-{2,6-dioxo-5-[(1e)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-d-ribo-hexitol
+c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O)Cl	OYW	4-cl-bn7gpppg mrna 5' cap analog
+CCOc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4)N[C@H](C)C(=O)O)C#N	OYZ	(2~{r})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid
+c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCCO)N	OZ1	4-amino-n-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\CCCCCC	OZ2	(2r)-3-{[(r)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6z)-tridec-6-enoyloxy]propyl (9z)-octadec-9-enoate
+C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)C=CC(O7)(C)C)NC3=O	OZ4	(7as,12s,12ar,13as)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8h,10h-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one
+CC[C@H](C(=O)O)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)C	OZ5	(2~{r})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid
+C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)OC=CC(O7)(C)C)NC3=O	OZ7	(8as,13s,13ar,14as)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4h,8h,9h,11h-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one
+c1ccc(cc1)C[C@H]2CCCN2C3=CC(=CC(=O)N3)N4CCOCC4	OZ8	4-morpholin-4-yl-6-[(2~{r})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{h}-pyridin-2-one
+CC1(c2c(c3ccc(cc3[nH]2)Br)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	OZA	(5as,12as,13as)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCO	OZD	6-[(2-hydroxyethyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
+CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O	OZE	(((r)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-l-leucinate
+COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O	OZG	[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid
+CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O	OZH	(2~{s})-4-methyl-2-[2-[[oxidanyl-[(1~{s})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid
+c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C=O	OZJ	2,4-diamino-6-(3-formylphenyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CC(C)(CC(=O)N[C@@H]1COc2ccccc2N(C1=O)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)N	OZK	3-azanyl-3-methyl-~{n}-[(3~{r})-4-oxidanylidene-5-[[4-[2-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide
+c1ccc(cc1)Cc2ccc3c(c2)occ3CC(=O)O	OZM	(6-benzyl-1-benzofuran-3-yl)acetic acid
+Cc1c(c(n(n1)C2CCN(CC2)CC(=O)N(C)C)C)NC3=NC=C(/C(=C/4\C=N[N]5=C4C=CC=C5)/N3)Cl	OZN	2-[4-[4-[[(6z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1h-pyrimidin-2-yl]amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-n,n-dimethyl-ethanamide
+c1cc(cc(c1)C(=O)N)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@H](O2)n3cnc4c3ncnc4N)O)O	OZP	9-(5-{[(3s)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-d-ribofuranosyl)-9h-purin-6-amine
+CCc1cccc(c1NS(=O)(=O)c2ccc(cc2C)c3cc(co3)C(=O)O)CC	OZQ	5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid
+c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H](CO2)O)O)O)O)[N+](=O)[O-]	OZR	n-[(e)-3-[(2r,3s,4s)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(nc3)C(F)(F)F)O)O)O)O)[N+](=O)[O-]	OZS	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+C[C@@H]1[C@H](NC(=O)O1)C(=O)O	OZT	(4s,5r)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP4(=O)OP(=O)(OP(=O)(OP(=O)(O4)O)O)O)O)O)N	OZV	5'-o-[(r)-hydroxy{[(4r,8s)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine
+c1ccc(cc1)NNc2ccc(cc2)C[C@@H](C(=O)O)N	OZW	phenylhydrazinyl phenylalanine
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](C[C@@H]([C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CN)O)O)N)N)N)O)CO)N)O)O)O	OZY	(1r,2r,3s,4r,6s)-4,6-diamino-2-[(3-o-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-glucopyranosyl}-beta-d-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside
+c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)C=C3)O)O)O)O)[N+](=O)[O-]	OZZ	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NCCCN4C2=O	P	2'-deoxy-n1,n2-propano guanosine monophosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/OCC[C@@H](C(=O)O)N)O	P00	(2s)-2-azanyl-4-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid
+CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl	P01	2-({6-[(3-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methylbutan-1-ol
+CCN(C)S(=O)(=O)Nc1cccc(c1F)c2c(sc(n2)C(C)(C)C)c3ccnc(n3)N	P02	n'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-n-ethyl-n-methylsulfuric diamide
+C(COCCCOCCO)COCCO	P03	2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol
+c1cc2cc(c1)NC(=O)CCCCc3cnn4c3nc(nc4NC5CC5)N2	P04	19-(cyclopropylamino)-4,6,7,15-tetrahydro-5h-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9h)-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccncc3)N	P05	d-phenylalanyl-n-(pyridin-4-ylmethyl)-l-prolinamide
+CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F	P06	dabrafenib
+CCn1c-2c(nn1)-c3ccccc3-c4c(nnn4CC)-c5c2cccc5	P07	1,8-diethyl-1,8-dihydrodibenzo[3,4:7,8][1,2,3]triazolo[4',5':5,6]cycloocta[1,2-d][1,2,3]triazole
+Cc1cc2c(c(c1)[C@H](C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4	P08	pik-108
+Cc1ccc(cc1C)Oc2ccc(cc2)NC(=O)c3ccccc3C(=O)O	P09	2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid
+C(CCC(=O)O)C[C@H](C(=O)O)N	P0A	(2r)-2-aminoheptanedioic acid
+CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2	P0B	6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{h}-pyrimidine-2,4-dione
+CC1=CC2=CN(C(=O)N=C2N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	P0C	6-methyl-3-(beta-d-ribofuranosyl)-3,7-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one
+C[C@H](N)[P@](=O)(C[C@@H](Cc1ccccc1)C(=O)O)OP(=O)(O)O	P0D	(2s)-3-[(s)-[(1r)-1-aminoethyl](phosphonooxy)phosphoryl]-2-benzylpropanoic acid
+CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCO)OC(=O)CCCCCCC\C=C/CCCCCC	P0E	phosphatidyl ethanol
+c1cc(cc(c1)O)c2[nH]c(nn2)NCc3c(cccc3Cl)F	P0F	3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4h-1,2,4-triazol-3-yl)phenol
+Cc1ccccc1CC(C)(C)NC[C@@H](c2ccc(c3c2OCC(=O)N3)O)O	P0G	8-[(1r)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2h-1,4-benzoxazin-3(4h)-one
+c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O)O	P0H	n-[(benzyloxy)carbonyl]glycyl-l-proline
+OP1(=O)OP(=O)(OP(=O)(OP(=O)(O1)O)O)O	P0J	2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone
+CN(Cc1ccco1)CC2=NC(=O)NC(=O)C2	P0K	6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione
+CC(C)C[C@H](N)[P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O	P0L	(2s)-2-{[(s)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid
+CC1(CO[C@@H](CN1)c2ccccc2Cl)C	P0N	(2~{r})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine
+Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O	P0P	[4-(dihydroxymethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+C[C@@H]1[C@H](OCC(N1)(C)C)c2cccc(c2)Cl	P0Q	(2~{r},3~{r})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine
+OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)O)O)O)O)O	P0S	2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone
+CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O	P0T	cannabidiol
+c1cc(cc(c1)C(=O)N)C#CCN(CC[C@H](C(=O)O)N)C[C@@H]2[C@@H]([C@@H]([C@H](O2)n3cnc4c3ncnc4N)O)O	P0V	9-(5-{[(3r)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-d-lyxofuranosyl)-9h-purin-6-amine
+CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3	P0W	6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{h}-pyrimidine-2,4-dione
+c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)O)SCc3cccnc3)O)N	P0Y	(2s,4r)-1-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-[(pyridin-3-ylmethyl)sulfanyl]piperidine-2-carboxylic acid
+CC1(CO[C@@H](CN1CCC(=O)NC(=O)NC)c2ccccc2)C	P0Z	3-[(2~{r})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{n}-(methylcarbamoyl)propanamide
+c1ccc(cc1)CC[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3	P10	[1-(3-hydroxy-2-oxo-1-phenethyl-propylcarbamoyl)2-phenyl-ethyl]-carbamic acid pyridin-4-ylmethyl ester
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=O)Nc3cn(c(n3)C(=O)NCCC(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)C	P11	imidazole-pyrrole-beta alanine-imidazole-beta alanine-imidazole-pyrrole-beta alanine-dimethylamino propylamide
+[H]/N=C(\N)/N1CC[NH+](CC1)Cc2cc(ccc2OCCC[NH3+])OC	P12	4-[amino(imino)methyl]-1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]piperazin-1-ium
+c1cc2c(cc[nH]2)cc1c3ccc(c(c3)CNCCN4CCNCC4)OCCCN	P13	n-[2-(3-aminopropoxy)-5-(1h-indol-5-yl)benzyl]-n-(2-piperazin-1-ylethyl)amine
+COc1ccc(c(c1)CNCCCCNC(=[NH2+])N)OCCNC(=[NH2+])N	P14	n-[2-(2-{[(4-{[amino(imino)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]guanidine
+COCCOCCOCCOCCOCCOCCO	P15	2,5,8,11,14,17-hexaoxanonadecan-19-ol
+CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c(cccc4Cl)Cl	P16	6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl	P17	6-(2,6-dichloro-phenyl)-8-methyl-2-(3-methylsulfanyl-phenylamino)-8h-pyrido[2,3-d]pyrimidin-7-one
+c1ccc(cc1)C(=O)CCO	P18	3-hydroxy-1-phenylpropan-1-one
+c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4	P19	n,n'-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
+CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O	P1A	2,3,14,20,22-pentahydroxycholest-7-en-6-one
+CCc1ccc(nc1)CCOc2ccc(cc2)C[C@@H]3C(=O)NC(=O)S3	P1B	(5r)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
+CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O	P1C	deacetoxycephalosporin-c
+c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(=O)(O)O	P1D	((2s,3as,4r,6s)-4-(hydroxymethyl)-6-(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-tetrahydrofuro[3,4-d][1,3]dioxo l-2-yl)methylphosphonic acid
+CNS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)N[C@@H]3CCC[C@H]3N(C)C)C(F)(F)F	P1E	4-{[4-{[(1r,2r)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2N	P1F	2-(2-azanylphenoxy)-5-hexyl-phenol
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(=O)(O)O)N=C(NC2=O)N	P1G	((2r,4r,6r,6as)-4-(2-amino-6-oxo-1,6-dihydropurin-9-yl)-6-(hydroxymethyl)-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl)methylphosphonic acid
+CCCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	P1H	{(2r,3s,4r,5r)-5-[(4s)-3-(aminocarbonyl)-4-(2-propylisonicotinoyl)pyridin-1(4h)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}m ethyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C1=C(NC(=O)NC1=O)C(=O)NCCC(=O)O	P1J	n-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine
+B(Cn1cc(nn1)CNS(=O)(=O)CC(F)(F)F)(O)OP(=O)(O)O	P1K	phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid
+CCCCCCCCCCCCCCCC(=O)SC[C@@H](C(=O)O)N	P1L	s-palmitoyl-l-cysteine
+CN1[C@@H]2CCC[C@H]1CC(C2)Nc3ccccc3Br	P1M	(3-endo)-n-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
+CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	P1O	1,2-didecanoyl-sn-glycero-3-phosphocholine
+C(C[O-])CO[P+](=O)[O-]	P1P	3-{[oxido(oxo)phosphino]oxy}propan-1-olate
+C[C@H]1CO[C@@H](CN1CC(COC)O)c2cccc(c2)Cl	P1Q	1-[(2~{r},5~{s})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol
+c1cncnc1	P1R	pyrimidine
+c1cc2c(cc1CO)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O	P1S	(6ar,12ar)-3-(hydroxymethyl)-6h-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12ah)-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O	P1T	2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid
+CC(=CCO)C	P1W	3-methylbut-2-en-1-ol
+COc1ccc(cc1Br)Cc2nc(c(c(n2)O)O)C(=O)O	P1Y	2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
+CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3	P1Z	4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione
+c1cc(c(cc1NC(=N)N)[C@@H](CS)C(=O)O)Cl	P20	2-(5-{[amino(imino)methyl]amino}-2-chlorophenyl)-3-sulfanylpropanoic acid
+COCCCN([C@H]1CCC[N@](C1)CCc2ccccc2)C(=O)c3ccc(cc3)Cl	P21	4-chloro-n-(3-methoxypropyl)-n-[(3s)-1-(2-phenylethyl)piperidin-3-yl]benzamide
+CCO[P@](=O)(O)OP(=O)(O)O	P22	ethyl dihydrogen diphosphate
+CCCO[P@@](=O)(O)OP(=O)(O)O	P23	propyl trihydrogen diphosphate
+C(CCNCCN)CN	P24	1-(aminoethyl)amino-4-aminobutane
+CCCCCO[P@@](=O)(O)OP(=O)(O)O	P25	pentyl trihydrogen diphosphate
+CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C	P26	4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1h-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid
+c1ccc2c(c1)nnn2C(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)c5ccc(c(c5)F)F	P27	{[2-(1h-1,2,3-benzotriazol-1-yl)-2-(3,4-difluorophenyl)propane-1,3-diyl]bis[4,1-phenylene(difluoromethylene)]}bis(phosphonic acid)
+CC(=O)N[C@@H](Cc1ccc(cc1)Oc2cc(c(c(c2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O	P28	3',5'-dinitro-n-acetyl-l-thyronine
+c1ccc(cc1)Nc2nc3c(cnn3c(n2)NCCc4cnc[nH]4)C#N	P29	4-(2-(1h-imidazol-4-yl)ethylamino)-2-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
+CC(=O)OC[C@H](COP(=O)(O)O)OC(=O)C	P2A	1,2-diethanoyl-sn-glycero-3-phosphate
+c1cc(cc(c1)O)c2cc(nc(n2)N3CCOCC3)Nc4cccnc4	P2B	3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
+c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl	P2C	2-[(3,5-dichloro-4-trioxidanylphenyl)amino]benzoic acid
+CC(=O)CC(=O)C	P2D	pentane-2,4-dione
+CCCCC[C@@H](\C=C\[C@H]1[C@@H](CC(=O)[C@@H]1C\C=C/CCCC(=O)O)O)O	P2E	(z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
+CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O	P2F	5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-n3-[(2s,3r)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-n1,n1-dipropyl-benzene-1,3-dicarboxamide
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@@H](O4)P(=O)(O)O)N=C(NC2=O)N	P2G	(2s,4r,6r,6as)-4-(2-amino-6-oxo-1,6-dihydropurin-9-yl)-6-(hydroxymethyl)-tetrahydrofuro[3,4-d][1,3]dioxol-2-ylphosphoni c acid
+c1ccc(cc1)c2ccc[n+](c2)CC(O)(P(=O)(O)O)P(=O)(O)O	P2H	1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium
+CC(=O)OC[C@@H](CO[P@@](=O)([O-])OC1[C@H]([C@@H](C([C@@H]([C@H]1O)O)O)O)O)OC(=O)C	P2I	1,2-diacetoyl-sn-glycero-3-phosphoinositol
+CCCCCN(CC[C@@H](C(=O)O)N)C[C@H]1[C@@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)O)O	P2J	9-(5-{[(3s)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-l-arabinofuranosyl)-9h-purin-6-amine
+C(COCCOCCOCCOCCOCCO)O	P2K	polyethylene glycol peg2000
+CN1CCC[C@H](C1)NC2=C(C(=O)N(N=C2)C)Cl	P2L	4-chlorol-2-methyl-5-[[(3~{r})-1-methylpiperidin-3-yl]amino]pyridazin-3-one
+c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3	P2M	n-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
+c1c(c2c(c(c1O)Cl)CC(=O)CCCC\C=C\CCOC2=O)O	P2N	(5z)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione
+C#CCN1CCOC1=O	P2O	3-prop-2-yn-1-yl-1,3-oxazolidin-2-one
+c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)O	P2P	n7-(5'-phospho-alpha-ribosyl)-2-hydroxypurine
+c1ccc(cc1)OC/C=C/[C@@H](C=O)Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N	P2Q	2-hydroxy-5-{[(1s,2e)-1-formyl-4-phenoxybut-2-en-1yl]amino}-l-tyrosine
+CC[C@H](C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N)C(=O)O	P2S	(2s)-2-amino-4-[[(2r)-2-carboxybutyl](phosphono)sulfonimidoyl]butanoic acid
+CCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O	P2T	2'-o-propyl thymidine-5-monophosphate
+C1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O	P2U	2'-deoxy-pseudouridine-5'monophosphate
+CC(C)n1c2c(c(n1)c3cc4cc(ccc4[nH]3)O)c(ncn2)N	P2X	2-[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]-1h-indol-5-ol
+C1C[C@H](NC1)CN	P2Y	(2s)-pyrrolidin-2-ylmethylamine
+CN(C)CCCN1c2ccccc2Sc3c1cccc3	P2Z	promazine
+CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6	P30	1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea
+c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F	P31	5-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]-n-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine
+CC(C)(C)NC[C@@H](COc1cccc2c1CC(=N2)C#N)O	P32	4-{[(2s)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3h-indole-2-carbonitrile
+C(COCCOCCOCCOCCOCCOCCO)O	P33	3,6,9,12,15,18-hexaoxaicosane-1,20-diol
+CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2	P34	n~2~,n~2~-dimethyl-n~1~-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamide
+c1cc2c(cc1NC3CCNCC3)CN(C2)S(=O)(=O)c4ccc(cc4O)O	P35	4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2h-isoindol-2-yl}sulfonyl)benzene-1,3-diol
+c1ccc(cc1)CN2C=CC(=C(C2=O)Br)OCc3ccccc3	P36	1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1h)-one
+Cc1ccc(cc1NC2=CC(=O)N(c3c2cnn3c4ccc(cc4F)F)C)C(=O)NC5CC5	P37	n-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
+Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(=C)c4ccccc4)C)NC(=O)c5ccnc(c5)N6CCOCC6	P38	5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-n-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)NC(=O)c5cccc(c5)N6CCOCC6	P39	5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-n-[(1s)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/C=C\CCCCCC	P3A	phosphatidylglycerol-phosphoglycerol
+CC1=C(/C(=C\N=C\2/C=C(C[C@H]([C@@H]2O)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O	P3B	(3e,4r,5r)-4,5-dihydroxy-3-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid
+Cl[Pt-](Cl)Cl	P3C	trichloroplatinate
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\CCCCCN)O	P3D	(4-{(e)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1cccc(c1)Cn2c[n+](c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O	P3E	[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\NC(=O)CNC(=O)c2ccccc2C(F)(F)F)O	P3F	phosphoric acid mono-(5-hydroxy-6-methyl-4-{[2-(2-trifluoromethyl-benzoylamino)-acetyl]-hydrazonomethyl}-pyridin-3-ylmethyl)ester
+CCOCCOCCOCCOCCOCC	P3G	3,6,9,12,15-pentaoxaheptadecane
+CCCCCCCC/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O	P3H	[(2~{r})-1-nonanoyloxy-3-[oxidanyl-[(2~{r},3~{s},5~{r},6~{r})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{z},8~{z})-heptadeca-5,8-dienoate
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2Br)N)S(=O)(=O)c3ccccc3	P3I	n-(6-amino-1-(2-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+c1cc(cnc1)c2cc([nH]n2)N	P3J	3-(pyridin-3-yl)-1h-pyrazol-5-amine
+c1cc(c(c(c1)O)O)C#N	P3K	2,3-bis(oxidanyl)benzenecarbonitrile
+Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc3nc(no3)C(C)(C)C)NC(=O)c4cc(on4)C	P3N	n-[(2s)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2s)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
+C[P@](=O)(CC[C@@H](C(=O)O)N)OP(=O)(O)O	P3P	(2s)-2-amino-4-[methyl(phosphonooxy)phosphoryl]butanoic acid
+c1ccc(cc1)CCC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N	P3Q	2-hydroxy-5-{[(1e)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-l-tyrosine
+C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N	P3S	l-methionine-s-sulfoximine phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCCN)O	P3T	(4-{[(4-aminobutyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1c(c(nn1C)CC(C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl	P3U	2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-n-(1,5-dimethyl,3-isobutyl-1h-pyrazol-4-yl)benzenesulfonamide
+CC(C)CN(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)(O)O)S(=O)(=O)c4ccc(cc4)N	P3V	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate
+CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4ccccc4OC	P3Y	5-[3-(2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylpyridine-3-carboxamide
+COc1ccc(cc1)[C@](c2cncnc2)(C3CC3)O	P3Z	(s)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol
+Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)NC5CC5	P40	n-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
+CC(C)Nc1nc2ccc(cc2s1)c3c(nco3)c4ccccc4F	P41	6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-n-(1-methylethyl)-1,3-benzothiazol-2-amine
+CCCCCCCCCCCCCCCCC[C@H](O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O[C@H](CCCCCCCCCCCCCCC)O	P42	(2s)-2-{[(1r)-1-hydroxyhexadecyl]oxy}-3-{[(1r)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate
+c1ccc(c(c1)C#Cc2ccc(o2)C(=O)N3CCC(CC3)c4cccc(c4)CN)F	P43	1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine
+c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4	P44	2-(cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
+c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCc4ccc(cc4)Cl	P45	2-(4-chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
+c1cc2cn(cc2cc1NC3CCN(CC3)C(=O)[C@H](CC(=O)N)N)S(=O)(=O)c4ccc(cc4O)O	P46	(3s)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2h-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide
+c1ccc(cc1)/C(=C\C(=O)O)/CCc2ccc(cc2)Cl	P47	(2z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
+CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C	P48	n,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+Cn1c-2c(c(n1)C(=O)O)CCc3c2nc(nc3)Nc4ccccc4	P49	1-methyl-8-(phenylamino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
+Cc1c(c(n[nH]1)c2ccc(cc2O)O)c3ccc(cc3)OC	P4A	4-[4-(4-methoxyphenyl)-5-methyl-1h-pyrazol-3-yl]benzene-1,3-diol
+C[C@@H](N[C@H](CCN)C(=O)O)O	P4B	(2~{r})-4-azanyl-2-[[(1~{s})-1-oxidanylethyl]amino]butanoic acid
+C(COCCOCCOCCOCCOCCOCC=O)O	P4C	o-acetaldehydyl-hexaethylene glycol
+c1cc(ccc1C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O)O	P4D	(2r)-2-{[(s)-[(1r)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid
+c1ccc(cc1)C=CC[C@@H](C(=O)O)N	P4E	(2s,4e)-2-amino-5-phenylpent-4-enoic acid
+C([C@H](C(=O)O)N)C(=O)C(F)(F)P(=O)(O)O	P4F	5,5-difluoro-4-oxo-5-phosphono-d-norvaline
+CCOCCOCCOCC	P4G	1-ethoxy-2-(2-ethoxyethoxy)ethane
+c1cc(c(cc1C(=O)c2ccc(cc2O)O)O)O	P4H	[2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone
+c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])O[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])[O]	P4J	[(2~{r},3~{r},4~{r},5~{s})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium
+CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	P4K	polyethylene glycol
+c1ccnc(c1)c2nc3c(c(n2)O)CSCC3	P4L	2-pyridin-2-yl-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-4-ol
+CS(=O)(=O)c1cccc(c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F	P4N	6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{h}-quinolin-2-one
+c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4)CCNC5=O	P4O	2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4	P4P	tetraphenylphosphonium
+c1cc2c(c(ncn2)N)nc1	P4Q	pyrido[3,2-d]pyrimidin-4-amine
+C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O	P4S	(3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide
+Cc1c(sc(n1)Nc2ccccc2)C(=O)C	P4T	2-phenylamino-4-methyl-5-acetyl thiazole
+CCCOC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	P4U	4-propyl, uridine-5'-monophosphate
+CN(C)S(=O)(=O)c1cccc2c1ccnc2	P4W	~{n},~{n}-dimethylisoquinoline-5-sulfonamide
+c1ccc(cc1)c2c(c3ccccc3[nH]2)Cc4nc(c(c(n4)O)O)C(=O)O	P4Y	5,6-dihydroxy-2-[(2-phenyl-1h-indol-3-yl)methyl]pyrimidine-4-carboxylic acid
+CC[C@H](C(=O)N)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)Cl	P4Z	(2~{r})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C=O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC	P50	(19s,22s,25r)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9z)-octadec-9-enoate
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCOc3ccccc3	P51	2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol
+CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N	P52	nalpha-[(2s)-2-{[[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-l-tryptophanamide
+c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O	P53	2-(hydroxymethyl)phenyl 6-o-phosphono-beta-d-glucopyranoside
+Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N	P54	8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3h-purin-6-amine
+CCN1CCN(CC1)c2nc3c(cnn3c(n2)Nc4ccccc4)C#N	P55	2-(4-ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
+c1ccc(cc1)c2c(c3ccccc3[nH]2)Cn4ccnc4	P57	3-[(1h-imidazol-1-yl)methyl]-2-phenyl-1h-indole
+CN(Cc1ccccc1)C(=S)S	P58	benzyl(methyl)carbamodithioic acid
+c1ccc(cc1)N2[C@@H](Nc3ccccc3C2=O)c4ccccc4F	P59	(2r)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCCN4)O)O)N	P5A	'5'-o-(n-(l-prolyl)-sulfamoyl)adenosine
+CCS(=O)(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N	P5B	n-(ethylsulfonyl)tryptophyl-n~1~-{4-[amino(imino)methyl]benzyl}glutamamide
+Cc1cccc(c1)Nc2c(cnc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N	P5C	2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide
+c1ccc(cc1)C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O	P5D	(2r)-2-{[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O	P5E	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate
+CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C2C=C1C)C=CC=NCC(=O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	P5F	n-propargylglycine-modified flavin adenine dinucleotide
+COc1cc(ccc1O)C[C@H]2COC[C@@H]2Cc3ccc(c(c3)OC)O	P5G	4,4'-[(3r,4r)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)
+CC1=NC(=O)C(C=C1)C(=O)NCCNS(=O)(=O)C	P5H	6-methyl-~{n}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{h}-pyridine-3-carboxamide
+Cc1ncc(cn1)c2ccn3c(n2)c(cn3)c4ccc5c(c4)[C@](C(=O)N5)(C)Cc6ccccc6	P5J	(3s)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2h-indol-2-one
+CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCS(=O)(=O)CC4	P5K	1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
+COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O	P5M	2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium
+c1cc(ccc1C=O)n2ccnc2	P5N	1-(4-methylphenyl)imidazole
+c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	P5P	purine riboside-5'-monophosphate
+Cc1ccc(cc1)n2cncn2	P5Q	1-(4-methylphenyl)-1,2,4-triazole
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC	P5S	o-[(r)-{[(2r)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine
+B123B45B167B289B612B744B116B282[C@@]93B21C465CCCS(=O)(=O)N	P5T	meta-nidocarborane propyl-sulfonamide
+c1cc(ccc1C#N)S(=O)(=O)OC[C@@H](C(=O)O)N	P5U	o-[(4-cyanophenyl)sulfonyl]-l-serine
+c1cc2c(cc1c3ccc4c(c3)[C@@]5(CCCN5C(=O)C6CC6)C(=O)N4)nccn2	P5V	(3s)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1h)-one
+c1ccc(cc1)c2csc(n2)Nc3ccc(cc3)C(=O)O	P5W	4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
+c1ccc(cc1)Cn2c(nnn2)CN(Cc3ccc(cc3)C(=O)NO)C(=O)c4ccccc4C(F)(F)F	P5Y	n-[(1-benzyl-1h-tetrazol-5-yl)methyl]-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide
+c1ccc(c(c1)c2c(nco2)C(=O)O)F	P60	5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid
+CC1=C(/C(=C\N=C(/Cc2ccc(c(c2)F)O)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	P61	(2e)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}propanoic acid
+CN(C)CCNCC1=C(C(=NC(=S)N1)O)Cc2ccc(cc2)Cl	P62	5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{h}-pyrimidine-2-thione
+CC(=O)Nc1cccc(c1)Nc2nc3c(cnn3c(n2)Nc4ccccc4)C#N	P63	n-(3-(8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-ylamino)phenyl)acetamide
+CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N	P64	7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine
+Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl	P65	2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine
+c1cc(c(c(c1)F)n2c3cnnc(c3cn2)Nc4cc(ccc4Cl)C(=O)NC5CC5)F	P66	4-chloro-n-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1h-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide
+C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br	P68	1-(4-bromophenyl)-3-(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)urea
+c1ccc(cc1)N2[C@H](Nc3ccccc3C2=O)c4ccccc4F	P69	(2s)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
+Cc1c(c(no1)c2ccc(o2)Cl)c3ccccc3	P6A	3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole
+c1ccc(cc1)c2nc(on2)CN3CC[C@@H](C3)O	P6B	(3s)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
+CC(C)c1c2c(ncc(n2)C(=O)O)nc(n1)N	P6C	2-amino-4-isopropyl-pteridine-6-carboxylic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[NH-]	P6D	2'-azidocytidine
+C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O	P6F	1,6-di-o-phosphono-d-fructose
+C(COCCOCCOCCOCCOCCO)O	P6G	hexaethylene glycol
+CS(=O)(=O)c1ccccc1CO	P6H	(2-methylsulfonylphenyl)methanol
+C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)OCC#C	P6J	n-{3-[(1s,5s,6s)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide
+CCCCCCCCCC=CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC=CCCCCCCCCC	P6L	(2s)-3-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6e)-hexadec-6-enoyloxy]propyl (8e)-octadec-8-enoate
+C[C@@H]1C[C@@](N=C(S1)N)(C)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F	P6M	(4s,6r)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4h-1,3-thiazin-2-amine
+C[C@H]1CCc2ccccc2C1=O	P6N	(2~{s})-2-methyl-3,4-dihydro-2~{h}-naphthalen-1-one
+C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)OP(=O)(O)O	P6P	6-o-phosphono-alpha-d-fructofuranose
+B12B34B156B37B8B79C813B4B12B31C95(B61)CCCS(=O)(=O)N	P6Q	meta-carborane propyl-sulfonamide
+c1ccc(cc1)COC(=O)O	P6S	benzyl hydrogen carbonate
+C([C@H]([C@@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O	P6T	1,6-di-o-phosphono-d-tagatose
+C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F	P6U	(4s)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine
+c1cc(ccc1CN)C(=O)NO	P6V	4-(aminomethyl)-n-hydroxybenzamide
+C(CC(=O)N)CC(=O)N	P6W	pentanediamide
+c1cc(c(nc1)C(F)(F)F)C(=O)NCc2ccc(cc2)C(=O)NO	P6Y	n-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide
+c1cc(cc(c1)n2ccnc2)C=O	P6Z	3-imidazol-1-ylbenzaldehyde
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](Cc2ccccc2)C(=O)O)O	P70	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-phenylalanine
+CC1=C(/C(=C\N=C(/Cc2ccccc2)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	P71	(2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-3-phenylpropanoic acid
+[H]/N=C(\c1ccc(cc1)O)/N	P72	4-oxidanylbenzenecarboximidamide
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNC(=O)OC(C)(C)C	P74	tert-butyl [3-(3-{[4-(diethylamino)piperidin-1-yl]methyl}-4-hydroxy-5-iodophenyl)prop-2-yn-1-yl]carbamate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)COc4ccc(cc4)S(=O)(=O)N	P75	4-[[1-[(2~{s},3~{s},5~{r})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide
+C[C@H]([C@@H](C(=O)NO)NC(=O)N1CCC(CC1)c2ccc(cc2)C#Cc3ccccc3)O	P76	n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide
+CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl	P77	2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10h-phenothiazine
+CC(C)(C)c1cc(c(s1)NC(=O)Nc2ccc3ccccc3c2)C(=O)N4CCS(=O)(=O)CC4	P78	1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea
+CC(C)(C)c1cc(n(n1)CC(=O)N2CCS(=O)(=O)CC2)NC(=O)Nc3ccc4ccccc4c3	P79	1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1h-pyrazol-5-yl}-3-naphthalen-2-ylurea
+CC(C)(C)c1cc(c(s1)N2CCS(=O)(=O)CC2)NC(=O)Nc3cccc4c3cccc4	P7A	1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea
+CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCC(=O)NCC4	P7B	1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
+CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C	P7C	1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea
+CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C(=O)NO	P7D	resminostat
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	P7E	4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde
+CC[C@H](C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3	P7F	(2~{r})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
+CCCN1CN(C2=C1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	P7G	7-propyl, guanosine-5'-monophosphate
+B1234B567B189B212B33%10B454B656B787C911(B232B715C4%1062CCCS(=O)(=O)N)CCCS(=O)(=O)N	P7H	meta-carborane di-propyl-sulfonamide
+C(CP(=O)(O)O)N	P7I	(2-aminoethyl)phosphonic acid
+CC1([C@@H]2CC[C@H]([C@H]1C2)CNCc3ccc(cc3)C(=O)NO)C	P7J	4-[({[(1r,2r,5r)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-n-hydroxybenzamide
+C[C@]1(Cc2ccc3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O	P7K	(3~{r})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
+c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br	P7M	n-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide
+CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F)S(=O)(=O)C	P7N	~{n}-methyl-~{n}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
+C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O)O	P7Q	(3~{r})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
+CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)c2ccc(c(c2)Cl)N	P7S	n-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-l-valyl-n-[(2s)-1-carboxy-3-oxopropan-2-yl]-l-prolinamide
+C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)c2ccc(cc2)C=O	P7T	4-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde
+c1cc(ccc1c2nc(co2)C(=O)NO)Br	P7V	2-(4-bromophenyl)-n-hydroxy-1,3-oxazole-4-carboxamide
+c1ccc(c(c1)/C=C/[N+](=O)[O-])O	P7Y	2-[(e)-2-nitroethenyl]phenol
+B1234B567B189B212B33%10B454B656B787B911C232(B4%105C7612CCCS(=O)(=O)N)CCCS(=O)(=O)N	P7Z	ortho-carborane di-propyl-sulfonamide
+c1cc(cc(c1)O)/C=C/[N+](=O)[O-]	P80	3-[(e)-2-nitroethenyl]phenol
+c1cc(ccc1/C=C/[N+](=O)[O-])O	P81	4-[(e)-2-nitroethenyl]phenol
+B1234B567B189B212B88%10C955(B669B733C411(B363B218B9%1035)CCCS(=O)(=O)N)CCCS(=O)(=O)N	P82	para-carborane di-propyl-sulfonamide
+CCn1c2ccccc2c3c1ccc(c3)CNC	P83	1-(9-ethyl-9h-carbazol-3-yl)-n-methylmethanamine
+CN1CCC(CC1)N(C)Cc2cc(cc(c2O)I)I	P84	2,4-bis(iodanyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol
+C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc(cc4)F	P85	n-[(4-fluorophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)I	P86	2-{[4-(diethylamino)piperidin-1-yl]methyl}-4,6-diiodophenol
+C1CCN(C1)C(=O)CC[C@H]2CCOC2	P87	3-[(3s)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one
+Cc1cccc(c1c2c(c(on2)C(C)C)COc3ccc(cc3)c4ccc5cc(ncc5c4)C(=O)O)C	P88	7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid
+CCCCCCCCCC(=O)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	P89	[6-methyl-5-oxidanyl-4-[(~{e})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
+B1234B567B189B212B33%10C454B656B433B%1011B353B768C9213CCCS(=O)(=O)N	P8B	para-carborane propyl-sulfonamide
+C[C@H](N)[P@@](=O)(C[C@H](CC(=O)O)C(=O)O)O	P8D	phosphinate pseudodipeptide l-ala-d-asp
+C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)N)N)O	P8E	5,7-diamino-3,5,7,9-tetradeoxy-l-glycero-alpha-l-manno-non-2-ulopyranosonic acid
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCc4cn(nn4)[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O	P8G	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-[[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-[[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol
+c1c(cncc1Br)C(=O)N2CCC(CC2)N3CCCC3	P8H	3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O	P8J	methyl 3-o-[(1-beta-d-galactopyranosyl-1h-1,2,3-triazol-4-yl)methyl]-beta-d-galactopyranoside
+c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N	P8M	2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCc4ccc(cc4)/C=C/C(=O)NO)c5ccc(cc5)Cl)C	P8N	(~{e})-3-[4-[[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{n}-oxidanyl-prop-2-enamide
+CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC	P8P	(2r)-3-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc5)Cl)C	P8Q	(s)-n1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-n8-hydroxyoctanediamide
+C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F	P8S	heptadecafluoro-1-octanesulfonic acid
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)C(=O)Nc5ccccc5N)c6ccc(cc6)Cl)C	P8T	~{n}-(2-aminophenyl)-4-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide
+Cc1ccc(s1)C#Cc2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N	P8V	2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
+CC1=C(C=NN(C1=O)C)NCc2ccccc2c3ccccc3	P8W	2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one
+C[C@@H]1C2=C(C(C(=N2)/C=C\3/[C@H]([C@](C(=N3)/C=C\4/[C@H]([C@]([C@@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O	P8X	desmethyl-hba
+CC(C)CCCS(=O)(=O)C[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O	P8Y	(2s,3s,4s,5r)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol
+CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C	P8Z	2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
+c1ccc(cc1)\C=C\C[C@@](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(c3nc4ccccc4s3)n5c6ccccc6nn5	P90	{4-[(2s,4e)-2-(1,3-benzothiazol-2-yl)-2-(1h-1,2,3-benzotriazol-1-yl)-5-phenylpent-4-enyl]phenyl}(difluoro)methylphosphonic acid
+Cn1c2cc(c3c(c2c(c1C(=O)NCCO)Br)C(=O)NC3=O)c4ccccc4Cl	P91	8-bromo-4-(2-chlorophenyl)-n-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide
+c1ccc2c(c1)NC(=S)O2	P92	3~{h}-1,3-benzoxazole-2-thione
+c1cocc1CNC(=O)N2CCCC2	P93	n-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide
+c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N	P94	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile
+c1cnc(nc1)NC(=O)c2ccsc2NC(=O)c3nc4cnccc4s3	P95	~{n}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNc3ccccc3	P96	2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cnccc3Cl)N	P97	d-phenylalanyl-n-[(4-chloropyridin-3-yl)methyl]-l-prolinamide
+CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4	P98	2-({[1-phenyl-2-(propan-2-yl)-1h-benzimidazol-6-yl]oxy}methyl)quinoline
+c1ccc(cc1)S(=O)(=O)NCCSc2cc(c(c(c2)F)OCC(=O)N)F	P99	2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide
+C[C@@]12C[C@@]34CCC(=O)[C@@]([C@@H]3[C@@H](O1)C[C@@H]2C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O	P9A	3-({3-[(1s,4as,6s,7s,9s,9ar)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
+c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N	P9B	4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
+C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C[C@@H]4c5ccccc5)(C)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O)O2	P9C	3-({3-[(1s,4s,4as,6s,7s,9s,9ar)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
+CC(C)(C)c1csc(n1)NC(=O)C2=CC3=NC(=C(C(=O)N3C=C2)/C=C/c4[nH]nnn4)N5CCC[C@H](C5)OC(=O)NCC[N+](C)(C)CC(=O)[O-]	P9D	[{2-[({[(3r)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(e)-2-(1h-tetrazol-5-yl)ethenyl]-4h-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate
+c1cc2c(cc1S(=O)(=O)N)NC(=S)O2	P9E	2-sulfanylidene-3~{h}-1,3-benzoxazole-5-sulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N)(N)[N]4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O)(O)O)O	P9G	diamino(2'-deoxy-5'-guanylic acid-kappan~8~)(phenanthridine)platinum
+c1ccc(cc1)[C@@H](CC=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	P9H	(2~{s})-2-azanyl-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{r})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+C/C(=C/1\C=C(c2[n+]1cccc2)c3ccccn3)/O	P9I	1-[1-(pyridin-2-yl)indolizin-3-yl]ethan-1-one
+Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2cccc3)c4ccccc4	P9J	4-[(5-methyl-1h-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2h)-one
+CN(c1ccccc1/C=N/c2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C	P9K	n-methyl-n-(2-{[2-(2-oxo-2,3-dihydro-1h-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
+CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3	P9L	1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1h)-one
+Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3C)C	P9M	n-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C	P9N	pregnanolone
+c1cc(c(cc1N(=O)=O)Cl)O	P9P	2-chloranyl-4-nitro-phenol
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)NCCCCCCCCN	P9Q	(1~{s},2~{r},3~{r},4~{r},5~{r})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
+C([C@H](CSC[C@@H](C(=O)O)N)O)O	P9S	dihydroxypropylcysteine
+c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F	P9T	[(5,7-difluoro-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+CSCC[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O	P9V	(2r,3s,4s,5r)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol
+c1cc(ccc1OCCCn2ccnc2)Cl	P9Y	1-[3-(4-chlorophenoxy)propyl]-1h-imidazole
+c1ccc(cc1)[As]=O	PA0	phenylarsine oxide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O	PA1	2-amino-2-deoxy-alpha-d-glucopyranose
+C1[C@@H](C[C@@H]([C@H]([C@@H]1N)O)O)N	PA2	paromomycin (ring 2)
+C1[C@H](CO[C@@H]1CO)O	PA3	paromomycin (ring 3)
+C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N	PA4	paromomycin (ring 4)
+C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O	PA5	5-phosphoarabinonic acid
+CCCCC(=O)OC[C@H](COP(=O)(O)O)OC=O	PA6	(r)-2-(formyloxy)-3-(phosphonooxy)propyl pentanoate
+CCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	PA7	n-propyl carboxyamido adenosine
+CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCC	PA8	1,2-dioctanoyl-sn-glycero-3-phosphate
+CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O	PA9	n~2~-acetyl-n~5~-(phosphonoacetyl)-l-ornithine
+c1cc(ccc1C(=O)O)N	PAB	4-aminobenzoic acid
+c1ccc(cc1)CC(=O)O	PAC	2-phenylacetic acid
+c1cc([nH+]c(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	PAD	5-beta-d-ribofuranosylpicolinamide adenine-dinucleotide
+C(C(=O)O)P(=O)(O)O	PAE	phosphonoacetic acid
+CC(C)(CO)[C@H](C(=O)[O-])O	PAF	pantoate
+C([C@H](C(=O)O)OP(=O)(O)O)O	PAG	2-phospho-d-glyceric acid
+C(C(=O)NO)P(=O)(O)O	PAH	phosphonoacetohydroxamic acid
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[N@](CC(O)O)CP(=O)(O)O	PAI	{[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid
+CC(C)(CO)[C@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	PAJ	pantoyl adenylate
+c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)C#N)CC(=O)N2	PAK	9-cyano paullone
+C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O	PAL	n-(phosphonacetyl)-l-aspartic acid
+CCCCCC\C=C/CCCCCCCC(=O)O	PAM	palmitoleic acid
+C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O	PAN	5-phospho-d-arabinohydroxamic acid
+C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O	PAO	n-(phosphonoacetyl)-l-ornithine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N	PAP	3'-phosphate-adenosine-5'-diphosphate
+c1ccnc(c1)NNC2=CC(C(=O)C=C2O)C[C@@H](C(=O)O)N	PAQ	2-oxy-4-hydroxy-5-(2-hydrazinopyridine)phenylalanine
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N	PAR	paromomycin
+C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O	PAS	2-amino-4-oxo-4-phosphonooxy-butyric acid
+c1ccc2c(c1)c(c[nH]2)C[C@@](C(=O)O)(N)P(=O)(O)O	PAT	alpha-phosphono-tryptophan
+CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O	PAU	pantothenoic acid
+C[C@@]1(C([C@H](CO1)O)(O)O)O	PAV	(2r,4s)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
+C(CNCCNCCNCCN)N	PAW	n-(2-aminoethyl)-n'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O	PAX	5'-phosphothymidine (3'-5')-pyrophosphate adenosine 3'-phosphate
+C[C@@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	PAY	octane-1,3,5,7-tetracarboxylic acid
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O	PAZ	n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine
+[Pb+2]	PB	lead (ii) ion
+CCCO[C@@H]1C[C@@H](NC1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)[C@H](CCc3ccccc3)N4CC[C@@](C4=O)(CC(C)C)NC(=O)C)O	PB0	(2s)-2-[(3r)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-n-{(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2r,4r)-4-propoxypyrrolidin-2-yl]propan-2-yl}-4-phenylbutanamide
+C(CC(=O)O)[C@H](CN)[C@H](CCN)CC(=O)O	PB1	3-(2-aminoethyl)-4-(aminomethyl)heptanedioic acid
+c1ccc(cc1)c2ccc(cc2)Cn3ccnc3	PB2	1-(biphenyl-4-ylmethyl)-1h-imidazole
+Cc1cccc(c1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccc(c3)C	PB3	n,n'-bis(3-methylbenzyl)pyrimidine-4,6-dicarboxamide
+Cc1cc(ccc1F)CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(c(c3)C)F	PB4	n,n'-bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide
+c1cc(cnc1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccnc3	PB5	n,n'-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide
+CC/C=C/c1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	PB6	3-[(1e)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium
+CC[C@H](C)[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O)NC(=O)C	PB7	(2s)-2-{(3s)-3-(acetylamino)-3-[(2s)-butan-2-yl]-2-oxopyrrolidin-1-yl}-n-{(2s,3r)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide
+CC(C)C[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4Cc5ccccc5CN4)O)NC(=O)C	PB8	(2s)-2-[(3r)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-n-{(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3r)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide
+Cn1cncc1CN2C[C@H](Cc3c2ccc(c3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)c5ccccn5	PB9	methyl 4-{[{(3s)-6-cyano-1-[(1-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridin-2-ylsulfonyl)amino]methyl}piperidine-1-carboxylate
+B(CCc1ccccc1)(O)O	PBA	phenylethane boronic acid
+c1cc(ccc1CSC[C@@H](C(=O)O)N)Br	PBB	s-(4-bromobenzyl)cysteine
+B(c1ccccc1)(O)O	PBC	phenyl boronic acid
+COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2	PBD	1-(3,4-dimethoxyphenyl)-3-[3-(1h-imidazol-1-yl)propyl]thiourea
+C[N+]1(CCC[C@H]1C(=O)O)C	PBE	1,1-dimethyl-prolinium
+c1ccc(cc1)C(=O)c2ccc(cc2)C[C@@H](C(=O)O)N	PBF	para-(benzoyl)-phenylalanine
+c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O	PBG	3-[5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic acid
+CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc(cc4)OCCCOc5cc6c(cc5OC)C(=O)N7CCC[C@H]7CN6	PBH	(11as)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
+C1=CC(=O)C=CC1CC2C(=O)N(C(=N2)CN)CC=O	PBI	[2-aminomethyl-5-oxo-4-(4-oxo-cyclohexa-2,5-dienylmethyl)-4,5-dihydro-imidazol-1-yl] -acetaldehyde
+CCCCCCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	PBK	5'-o-[(r)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine
+CC(CC(C)(O)O)(O)O	PBL	pentane-2,2,4,4-tetrol
+C[Pb+](C)C	PBM	trimethyl lead ion
+c1ccc(cc1)CCCCN	PBN	4-phenylbutylamine
+CCCC(=O)c1cccnc1	PBO	1-pyridin-3-ylbutan-1-one
+c1cc(ccc1C(=O)CBr)Br	PBP	p-bromophenacyl bromide
+c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Br)Br	PBQ	pentabromopseudilin
+c1(c(c(c(c(c1Br)Br)Br)Br)Br)O	PBR	pentabromophenol
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O	PBS	(2s,3s,4r)-n-octanoyl-1-[(alpha-d-galactopyranosyl)oxy]-2-amino-octadecane-3,4-diol
+C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	PBT	[3-hydroxy-5-(5-methyl-2,4-dioxotetrahydro-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen phosphate
+CCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC	PBU	(2r)-3-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1 ,2-diyl dibutanoate
+CCc1cccc(n1)N	PBV	6-ethylpyridin-2-amine
+C(C1[C@H]([C@@H](C(C([C@H]1O)O)O)O)O)O	PBW	(1~{s},4~{s},5~{r})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
+c1cc(c(c(c1O)O)O)Br	PBX	4-bromobenzene-1,2,3-triol
+c1cc(cc(c1)Cl)Nc2cc(ncn2)N	PBY	n~4~-(3-chlorophenyl)pyrimidine-4,6-diamine
+c1cc(ccc1C(=[NH2+])N)N	PBZ	p-amino benzamidine
+C[N+](C)(C)CCOP(=O)(O)O	PC	phosphocholine
+CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C	PC0	1-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]-3-(5-methylpyridin-2-yl)thiourea
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	PC1	1,2-diacyl-sn-glycero-3-phosphocholine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	PC2	di-stearoyl-3-sn-phosphatidylcholine
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Co]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C	PC3	coproporphyrin i containing co(iii)
+Cl[Pt-2](Cl)(Cl)Cl	PC4	tetrachloroplatinate(ii)
+CCCCC(=O)OC[C@H](COP(=S)(OCC[N+](C)(C)C)[S-])OC(=O)CCCC	PC5	1,2-di-n-pentanoyl-sn-glycero-3-dithiophosphocholine
+CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P@@](=O)([O-])OCC[N+](C)(C)C	PC6	7-[(dodecanoyloxy)methyl]-4-hydroxy-n,n,n-trimethyl-9-oxo-3,5,8-trioxa-4-phosphadotriacontan-1-aminium 4-oxide
+CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@](=O)(O)OCC[N+](C)(C)C	PC7	(7s)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide
+CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC	PC8	1,2-dioctanoyl-sn-glycero-3-phosphocholine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC[C@@H]([C@H](CCCCCCCCCCC)Br)Br	PC9	(7r,14s)-14,15-dibromo-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide
+C1CC(=O)N[C@@H]1C(=O)O	PCA	pyroglutamic acid
+CS(=O)(=O)c1cc(c(cc1Cl)c2cc(c(cc2Cl)S(=O)(=O)C)Cl)Cl	PCB	4,4'-bis([h]methylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl
+C1CC(=O)N[C@@H]1C(=O)O	PCC	5-oxoproline
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O	PCD	(molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v)
+C#CCC(C[C@H]([C@H](CC1CCCCC1)N)O)C(=O)O	PCE	2-(3-amino-4-cyclohexyl-2-hydroxy-butyl)-pent-4-ynoic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	PCF	1,2-diacyl-sn-glycero-3-phoshocholine
+c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N	PCG	cyclic guanosine monophosphate
+c1cnccc1OC[C@@H]([C@H](CC2CCCCC2)N)O	PCH	3-amino-4-cyclohexyl-1-(pyridin-4-yloxy)butan-2-ol
+c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O	PCI	pentachlorophenol
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	PCJ	(2r)-3-{[(2s)-3-hydroxy-2-(palmitoylamino)propyl]thio}propane-1,2-diyl dihexadecanoate
+CCCCCCCC[C@H]([C@H](CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br)Br)Br	PCK	(7r,18s,19r)-18,19-dibromo-7-{[(9s,10s)-9,10-dibromooctadecanoyl]oxy}-4-hydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-p hosphaheptacosan-1-aminium 4-oxide
+Cl[Pt]Cl	PCL	platinum(ii) di-chloride
+CC(C)C[C@@H](C(=O)N[C@@H]1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3	PCM	1-[n[(phenylmethoxy)carbonyl]-l-leucyl-4-[[n/n-[(phenylmethoxy)carbonyl]-/nl-leucyl]amino]-3-pyrrolidinone/n
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)/C(=N\OC)/c2csc(n2)N)C(=O)O)C	PCN	2-{1-[2-(2-amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid
+CC(C)(CO)[C@H](C(=O)NCCC(=O)N\C=C/S)O	PCO	2,4-dihydroxy-n-[2-(2-mercapto-vinylcarbamoyl)-ethyl]-3,3-dimethyl-butyramide
+C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O	PCP	1-alpha-pyrophosphoryl-2-alpha,3-alpha-dihydroxy-4-beta-cyclopentane-methanol-5-phosphate
+c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl	PCQ	3,5,3',5'-tetrachloro-biphenyl-4,4'-diol
+Cc1ccc(cc1)O	PCR	p-cresol
+c1ccc(cc1)C[C@@H](C(=O)CCl)N	PCS	phenylalanylmethylchloride
+C(C(=O)N)P(=O)(O)O	PCT	phosphonoacetamide
+CN1C=CC(=C2c3ccc4n3[Cu]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1	PCU	cu(ii)meso(4-n-tetramethylpyridyl)porphyrin
+C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O	PCV	5-amino-3-hydroxy-2-(2-oxo-azetidin-1-yl)-pentanoic acid
+CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	PCW	1,2-dioleoyl-sn-glycero-3-phosphocholine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N1CCC1=O	PCX	deoxyguanidinoproclavaminic acid
+Cc1cccc(c1C(=O)OC[C@]2([C@H]([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O)N(C)C)N)Nc3cccc(c3)C(=O)C)O)O	PCY	pactamycin
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O	PCZ	(2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+[Pd+2]	PD	palladium ion
+CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC	PD1	1-tert-butyl-3-[6-(3,5-dimethoxy-phenyl)-2-(4-diethylamino-butylamino)-pyrido[2,3-d]pyrimidin-7-yl]-urea
+c1cnc(cc1C(=O)O)C(=O)O	PD2	pyridine-2,4-dicarboxylic acid
+c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3c4c(ncnc4n(n3)C5CCCC5)N	PD3	1-{3-[(4-amino-1-cyclopentyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
+CCCOCCN1c2c(ccc(n2)c3ccc(nc3)OC)N=C(C1=O)NCCN4CCOCC4	PD4	6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4h)-one
+CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(F)(F)F)c(ncn2)N	PD5	1-{4-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
+CCCCN1C=CC(=O)c2c1cc(nc2N)c3ccccc3	PD6	5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1h)-one
+CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC	PD7	(2r)-3-(phosphonooxy)propane-1,2-diyl diheptanoate
+c1cc(ccc1C(=O)OP(=O)(O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	PD8	phosphorylated dihydropteroate
+CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#N	PD9	(~{e})-2-cyano-~{n},~{n}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O	PDA	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-propionic acid
+C[C@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F	PDB	1-(2-chlorophenyl)-6-[(2r)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1cc(nc(c1)C(=O)O)C(=O)O	PDC	pyridine-2,6-dicarboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O	PDD	n-(5'-phosphopyridoxyl)-d-alanine
+C[C@@H](C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]	PDE	para-nitrophenyl phosphonobutanoyl d-alanine
+C1[C@H](NCC1(F)F)C(=O)O	PDF	4,4-difluoro-l-proline
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O	PDG	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-d-glutamic acid
+c1ccc(cc1)C[C@H](CO)N	PDH	(2s)-2-amino-3-phenyl-1-propanol
+C(CO)COP(=O)(O)O	PDI	phosphoric acid mono-(3-hydroxy-propyl) ester
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](CO)N)OC(=O)CCCCCCCCCCCCCCC	PDJ	(2r)-3-{[(2r)-2-amino-3-hydroxypropyl]thio}propane-1,2-diyl dihexadecanoate
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCNC(=O)C[N@](CC[N@@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)OC(=O)CCCCCCCCCCCCC	PDK	(10s,13r)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O	PDL	n-(5'-phosphopyridoxyl)-l-alanine
+c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O	PDM	4-[4-(2,5-dioxo-pyrrolidin-1-yl)-phenylamino]-4-hydroxy-butyric acid
+C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C	PDN	17,21-dihydroxypregna-1,4-diene-3,11,20-trione
+C(CO)CO	PDO	1,3-propandiol
+Cc1c(c(c(cn1)CO[P@](=O)(O)OP(=O)(O)O)C=O)O	PDP	pyridoxal-5'-diphosphate
+Cc1c2c(cc(c1N3CC[C@H](C3)[C@H](C)N)F)C(=O)N(C(=O)N2C4CC4)N	PDQ	3-amino-7-{(3r)-3-[(1s)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1h,3h)-dione
+Cn1cc(c2c1cc(c(n2)OC)OC)c3cc4c(ccnc4[nH]3)Cl	PDR	3-(4-chloro-1h-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1h-pyrrolo[3,2-b]pyridine
+Cc1c(c2ccccc2[nH]1)C3=C(C(=O)NC3=O)c4c(n(c5c4cccc5)CCCN(C)C)C	PDS	3-{1-[3-(dimethylamino)propyl]-2-methyl-1h-indol-3-yl}-4-(2-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione
+C(CS)CS	PDT	1,3-propanedithiol
+CC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	PDU	5(1-propynyl)-2'-deoxyuridine-5-monophosphate
+O[V]1(O[V](O1)([O-])[O-])([O-])[O-]	PDV	divanadate ion
+COC(=O)[C@H]1CCCN1	PDW	methyl d-prolinate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O	PDX	2,3-di-o-sulfo-alpha-d-glucopyranose
+CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)N[C@H]4CCCNC4)C	PDY	n~7~-(4-ethoxyphenyl)-6-methyl-n~5~-[(3s)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
+c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3)Cl	PDZ	6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2h)-one
+c1cnc2c(n1)C(=O)NC(=N2)N	PE0	pterine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCCN)C(=O)O)O	PE1	n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-lysine
+c1nc2c(n1CCC(CO)CO)N=C(NC2=O)N	PE2	9-(4-hydroxy-3-(hydroxymethyl)but-1-yl)guanine
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	PE3	3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol
+CCOCCOCCOCCOCCOCCOCCOCCO	PE4	2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol
+CCOCCOCCOCCOCCOCCOCCOCCOCCO	PE5	3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
+C(COCCOCCOCCOCCOCCOP(=O)(O)O)O	PE6	phosphoryl-hexaethylene glycol
+C(COCCOCCOCCOCCOCCOCCS)O	PE7	1-deoxy-1-thio-heptaethylene glycol
+C(COCCOCCOCCOCCOCCOCCOCCO)O	PE8	3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol
+CCCCCO	PE9	pentan-1-ol
+c1ccc(cc1)CC[NH3+]	PEA	2-phenylethylamine
+CC[C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C	PEB	phycoerythrobilin
+CCCCCSSC[C@@H](C(=O)O)N	PEC	s,s-pentylthiocysteine
+CC[C@@H]([C@@H](COP(=O)(O)O)O)O	PED	pentane-3,4-diol-5-phosphate
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC	PEE	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC	PEF	di-palmitoyl-3-sn-phosphatidylethanolamine
+C(COCCO)O	PEG	di(hydroxyethyl)ether
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	PEH	di-stearoyl-3-sn-phosphatidylethanolamine
+CCCCC(=O)O	PEI	pentanoic acid
+[O-]I(=O)(=O)=O	PEJ	periodate
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	PEK	(1s)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(stearoyloxy)methyl]ethyl (5e,8e,11e,14e)-icosa-5,8,11,14-tetraenoate
+c1ccc(cc1)CCO	PEL	2-phenyl-ethanol
+CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl	PEM	2-[p-[2-p-chlorobenzamido)ethyl]phenoxy]-2-methylpropionic acid
+OO	PEO	hydrogen peroxide
+C=C(C(=O)O)OP(=O)(O)O	PEP	phosphoenolpyruvate
+C[C@@H](C(=O)O)OP(=O)(O)O	PEQ	l-phospholactate
+[O-][O-]	PER	peroxide ion
+[H]/N=C(\c1ccc(cc1)OCCOCCOc2ccc(cc2)C(=N)N)/N	PET	1,5-di(4-amidinophenoxy)-3-oxa-pentane
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	PEU	2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol
+CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN	PEV	(1s)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br	PEW	(1r)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (9s,10s)-9,10-dibromooctadecanoate
+CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCCCCCC	PEX	1,2-didecanoyl-sn-glycero-3-phosphoethanolamine
+c1ccc2c(c1)ccc3c2cccc3	PEY	phenanthrene
+CCC(C(=O)O)OP(=O)(O)O	PEZ	2-(phosphonooxy)butanoic acid
+c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N	PF	proflavine
+Cc1c(cccc1O)C(=O)O	PF0	3-hydroxy-2-methylbenzoic acid
+Cc1ncc(c(n1)N)CN(CCO)C=O	PF1	n-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-(2-hydroxyethyl)formamide
+c1cnc(nc1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCC(C4)(F)F	PF2	2-(4-{(3s,5s)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine
+c1ccc(cc1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(cc3)c4ccncc4	PF3	(2r)-3-({[4-[(pyridin-4-yl)phenyl]-thien-2-yl}carboxamido)(phenyl)propanoic acid
+COc1ccc(cc1)c2c(nc([nH]2)c3cccs3)c4ccc(cc4)OC	PF4	4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1h-imidazole
+C(c1c(c(c(c(c1F)F)F)F)F)[C@@H](C(=O)O)N	PF5	2,3,4,5,6-pentafluoro-l-phenylalanine
+c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)Cc5ccncc5	PF6	2-({4-[4-(pyridin-4-ylmethyl)-1h-pyrazol-3-yl]phenoxy}methyl)quinoline
+c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)O	PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
+c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)c5ccncc5	PF8	2-{[4-(4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline
+Cn1cc(c(n1)c2ccc(cc2)OCc3ccc4ccccc4n3)c5ccncc5	PF9	2-{[4-(1-methyl-4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline
+Cc1cc(cc(c1Oc2ccc(c(c2)C(C)C)O)C)N3C(=O)NC(=O)C=N3	PFA	[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-6-azauracil
+C(c1c(c(c(c(c1F)F)F)F)F)O	PFB	2,3,4,5,6-pentafluorobenzyl alcohol
+CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)Cc7ccccc7)C	PFC	phenylferricrocin-iron
+CCOCCC1(C(=O)NC(=O)NC1=O)Oc2ccc(cc2)Oc3ccc(cc3)F	PFD	5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]pyrimidine-2,4,6(1h,3h,5h)-trione
+CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)c4csc(n4)CO	PFE	{4-[3-(6,7-diethoxy-quinazolin-4-ylamino)-phenyl]-thiazol-2-yl}-methanol
+c1cc(ccc1C[C@@H](C(=O)O)N)F	PFF	4-fluoro-l-phenylalanine
+C#CC[N@](Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	PFG	10-parpargyl-5,8-dideazafolate-4-glutamic acid
+COc1cc2c(cc1OC)ncnc2[N@]3CC[C@H](C3)Oc4ccc5ccccc5c4	PFH	6,7-dimethoxy-4-[(3r)-3-(2-naphthyloxy)pyrrolidin-1-yl]quinazoline
+CC(C)Oc1ccc(cc1F)CC[C@]2(CC(=CC(=O)O2)O)C3CCCC3	PFI	(6s)-6-cyclopentyl-6-[2-(3-fluoro-4-isopropoxyphenyl)ethyl]-4-hydroxy-5,6-dihydro-2h-pyran-2-one
+COc1cc2c(cc1OC)ncnc2N3CC[C@H](C3)Oc4cnc5ccccc5n4	PFJ	6,7-dimethoxy-4-[(3r)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline
+COc1cc2cncnc2cc1OCCc3ccc4ccccc4n3	PFK	6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline
+CC(C)c1cccc(c1O)C(C)C	PFL	2,6-bis(1-methylethyl)phenol
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C(=C\C[C@@H](C(=O)O)N)\O)O	PFM	1-amino-7-(2-methyl-3-oxido-5-((phosphonoxy)methyl)-4-pyridoxal-5-oxo-6-heptenate
+C[C@H](c1cccc(c1)Oc2ccccc2)C(=O)O	PFN	fenoprofen
+c1cc(ccc1c2c(n(cn2)C3CCN(CC3)Cc4ccon4)c5ccnc(n5)N)F	PFO	4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1h-imidazol-5-yl}pyrimidin-2-amine
+COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)NCCO	PFP	2-[5,6-bis-(4-methoxy-phenyl)-furo[2,3-d]pyrimidin-4-ylamino]-ethanol
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO	PFQ	2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol
+COc1cc2c(cc1OCCc3ccccn3)c(ncn2)[N@]4CCC[C@H](C4)c5ccccc5	PFR	7-methoxy-4-[(3s)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline
+CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C	PFS	(2r)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
+c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O	PFT	4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)benzene-1,3-diol
+C([C@@H]1[C@H]([C@H]([C@@H](O1)c2c(c([nH]n2)C(=O)N)O)O)O)OP(=O)(O)O	PFU	(1s)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1h-pyrazol-3-yl)-5-o-phosphono-d-ribitol
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(=O)NCC2=CC(=O)C(=CN2O)O)NS(=O)(=O)O	PFV	(6r,7s,10z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid
+COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)[N@]5CCC[C@H](C5)c6ccccc6	PFW	7-methoxy-4-[(3s)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline
+c1cc(ccc1C[C@@H](C(=O)NCCOCCOCC(=O)O)[NH3+])P(=O)(O)O	PFX	(2s)-1-({2-[2-(carboxymethoxy)ethoxy]ethyl}amino)-1-oxo-3-(4-phosphonophenyl)propan-2-aminium
+Cc1c([nH]c(c1C(=O)N2CCC[C@H]2CN3CCCC3)C)\C=C/4\c5cc(ccc5NC4=O)S(=O)(=O)Cc6c(cccc6Cl)Cl	PFY	(3z)-5-[(2,6-dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2s)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one
+CCCCCC[C@](Cn1ccnc1)(c2ccc(cc2Cl)Cl)O	PFZ	1-(n-imidazolyl)-2-hydroxy-2-(2,3-dichlorophenyl)octane
+COCCOCCO	PG0	2-(2-methoxyethoxy)ethanol
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H](C(=O)[O-])N)NC(=O)Cc2ccccc2)C(=O)[O-])C	PG1	penicillin g acyl-serine
+CCCCC[C@@H](\C=C\[C@@H]1[C@H]([C@H](CC1=O)O)C\C=C/CCCC(=O)O)O	PG2	prostaglandin d2
+C(CNC(=[NH2+])N)CO	PG3	guanidine-3-propanol
+C(COCCOCCOCCO)O	PG4	tetraethylene glycol
+COCCOCCOCCOC	PG5	1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane
+COCCOCCOCCOCCOCCOC	PG6	1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2O)N	PG7	((2r,3r,5r)-5-(2-amino-6-hydroxy-9h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate
+CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC	PG8	1,2-dioctanoyl-sn-glycero-3-[phospho-rac-(1-glycerol)
+c1ccc(cc1)[C@H](C(=O)O)N	PG9	d-phenylglycine
+C(C(=O)O)OP(=O)(O)O	PGA	2-phosphoglycolic acid
+C(C(=O)NO)OP(=O)(O)O	PGC	o-phosphoglycolohydroxamate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N	PGD	2-amino-5,6-dimercapto-7-methyl-3,7,8a,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide
+C(COCCOCCO)O	PGE	triethylene glycol
+CCOCCOCCOCCOC	PGF	2,5,8,11-tetraoxatridecane
+c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCC(=O)O)O	PGG	para-nitrophenylphosphonobutanoyl-glycine
+C(C(=O)NO)OP(=O)(O)O	PGH	phosphoglycolohydroxamic acid
+c1ccc(cc1)CCc2c[n+]3c([nH]2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O	PGI	(5r,6r,7s,8s)-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-6,7,8-triol
+CCOC[N@]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O	PGJ	2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]isoxazol-5(2h)-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br	PGK	(1r)-2-{[{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (9s,10s)-9,10-dibromooctadecanoate
+C(N)P(=O)(O)O	PGL	(aminomethyl)phosphonic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O	PGM	1-myristoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)]
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N=C(NC2=O)N	PGN	2'-deoxyguanosine-3',5'-diphosphate
+C[C@@H](CO)O	PGO	s-1,2-propanediol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N	PGP	guanosine-3',5'-diphosphate
+C[C@@H](CO)O	PGQ	s-1,2-propanediol
+C[C@H](CO)O	PGR	r-1,2-propanediol
+c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O	PGS	2-deazo-6-thiophosphate guanosine-5'-monophosphate
+CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O	PGT	(1s)-2-{[{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O	PGU	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-glutamic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC\C=C/CCCCCC	PGV	(1r)-2-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (11e)-octadec-11-enoate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC	PGW	(1r)-2-{[(s)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate
+CCCCC[C@@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)OO2)OO	PGX	7-[6-(3-hydroperoxy-oct-1-enyl)-2,3-dioxa-bicyclo[2.2.1]hept-5-yl]-hept-5-enoic acid
+c1ccc(cc1)[C@H](C(=O)O)N	PGY	phenylglycine
+Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OP(=O)(O)OCc3ccccc3)SC)CO)O	PGZ	methyl 2-o-[(s)-(benzyloxy)(hydroxy)phosphoryl]-3-deoxy-3-{[(4-methylphenyl)carbonyl]amino}-1-thio-beta-d-galactopyranoside
+c1ccc(cc1)C[C@H](C[P@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O	PH0	n-{(2s)-3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-l-phenylalanine
+CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C	PH1	1,2-[di-2,6,10,14-tetramethyl-hexadecan-16-oxy]-propane
+C1C(=NC2=C(N1)N=C(NC2=O)N)CO	PH2	2-amino-6-hydroxymethyl-7,8-dihydro-3h-pteridin-4-one
+c1cc(ccc1NC(=N)NO)Cl	PH3	n-(chlorophenyl)-n'-hydroxyguanidine
+C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O	PH4	3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate
+CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O	PH5	benzyl 3,5-dideoxy-5-(propanoylamino)-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O	PH6	(4s)-4-cyclohexyl-l-proline
+c1ccc(cc1)C(=O)N/C(=C\c2ccc(cc2)Oc3ccccc3Br)/C(=O)O	PH7	(2z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic acid
+c1ccc(cc1)CCC[C@@H](C(=O)O)N	PH8	5-phenyl-l-norvaline
+c1ccc(c(c1)Oc2ccc(cc2)CC(C(=O)O)NC(=O)C34CC5CC(C3)CC(C5)C4)Br	PH9	(2z)-2-[(1-adamantylcarbonyl)amino]-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid
+c1ccc(cc1)C[C@@H](C=O)N	PHA	phenylalaninal
+c1cc(ccc1C(=O)O)O	PHB	p-hydroxybenzoic acid
+C[C@@H](c1ccccc1)N(C)C=O	PHC	n-methyl-n-(methylbenzyl)formamide
+C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O	PHD	aspartyl phosphate
+c1ccc(cc1)C[C@@H](C(=O)O)N	PHE	phenylalanine
+c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-]	PHE_LEO2	l-phenylalanine c-terminal deprotonated fragment
+c1ccc(cc1)C[C@@H](C(=O)O)[NH-]	PHE_LEO2H	l-phenylalanine c-terminal protonated fragment
+c1ccc(cc1)C[C@@H](C(=O)O)N	PHE_LFOH	l-phenylalanine free neutral
+c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+]	PHE_LFZW	l-phenylalanine free zwitterion
+c1ccc(cc1)C[C@@H]([C-]=O)[NH-]	PHE_LL	l-phenylalanine - linking embedded fragment
+c1ccc(cc1)C[C@@H]([C-]=O)[NH3+]	PHE_LSN3	l-phenylalanine n-terminal protonated fragment
+O[Hf]12(O[Hf]34([O@@]15[Hf]67(O3)(O[P@@]8(=O)O[Hf]9(O6)([O@@]7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O	PHF	hf-oxo-phosphate cluster phf
+c1ccc(cc1)[Hg]	PHG	phenylmercury
+C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1	PHH	4,5,6,7-tetrachloro-phthalide
+c1cc(ccc1C[C@@H](C(=O)O)N)I	PHI	iodo-phenylalanine
+c1ccc(cc1)NC(=O)ON	PHJ	n-[(aminooxy)carbonyl]-n-phenylamine
+c1ccc(cc1)C[C@@H]([C@H](CCl)O)N	PHK	(2r,3s)-3-amino-1-chloro-4-phenyl-butan-2-ol
+c1ccc(cc1)C[C@@H](CO)N	PHL	l-phenylalaninol
+c1ccc(cc1)C[C@@H](C(=O)CCl)N	PHM	(3s)-3-amino-1-chloro-4-phenylbutan-2-one
+c1cc2ccc3cccnc3c2nc1	PHN	1,10-phenanthroline
+CCC1=C(/c/2c/c3c(c(c([nH]3)/cc/4\nc(c5c6c(c(/c(/[nH]6)c/c1n2)C)C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C=C)C	PHO	pheophytin a
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3)O)NC(=O)OCc4ccccc4	PHP	(2-phenyl-1-carbobenzyl-oxyvalyl-amino)-ethyl-phosphinic acid
+c1ccc(cc1)COC(=O)Cl	PHQ	benzyl chlorocarbonate
+C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O	PHR	3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl ) hexane 1-phosphate
+OP(=O)O	PHS	phosphonic acid
+c1ccc(c(c1)C(=O)O)C(=O)O	PHT	phthalic acid
+c1ccc(cc1)NC(=O)N	PHU	1-phenylurea
+COCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(=O)(O)O	PHV	n-[(benzyloxy)carbonyl]-beta-phenyl-d-phenylalanyl-n-[(1s)-4-methoxy-1-phosphonobutyl]-l-prolinamide
+CO/C=C/C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(O)(O)(Oc5ccccc5)Oc6ccccc6	PHW	n-[(benzyloxy)carbonyl]-beta-phenyl-d-phenylalanyl-n-{(1s,3e)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-l-prolinamide
+c1ccc(cc1)C2=NC(=CNCCCC(=O)O)C(=O)O2	PHX	4-{[(z)-(5-oxo-2-phenyl-1,3-oxazol-4(5h)-ylidene)methyl]amino}butanoic acid
+C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)(O)O)C(=O)O	PHY	1(s)-aminoethyl-(2-carboxypropyl)phosphoryl-phosphinic acid
+c1ccc(cc1)NN	PHZ	1-phenylhydrazine
+OP(=O)([O-])[O-]	PI	hydrogenphosphate ion
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]([C@H](C)CC)NS(=O)(=O)Cc2ccccc2)\N	PI0	(2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r,3r)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C[C@@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O	PI1	1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-yl)-2-hydroxy-ethyl] -pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-2-methyl-propylcarbamoyl) -2-methyl-butyl]-amide
+CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)CC(=O)N)O	PI2	2-{11-[1-hydroxy-2-(3-methyl-butylamino)-ethyl] -6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca- 1(16),13(17),14-trien-8-yl}-acetamide
+CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)C(C)C)O	PI3	11-[1-hydroxy-2-(3-methyl-butylamino)-ethyl]-8-isopropyl-2-oxa-7,10- diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-6,9-dione
+CC(C)(C)NC(=O)[C@@H]1CCCC[N@]1C[C@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O	PI4	1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca- 1(16),13(17),14-trien-11-yl)-2-hydroxy-ethyl]-piperidine-2-carboxylic acid tert-butylamide
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)N4CCCC4=O)O	PI5	n-[3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14- trien-11-ylamino)-2-hydroxy-1-(4-hydroxy-benzyl)-propyl]-3-methyl-2- (2-oxo-pyrrolidin-1-yl)-butyramide
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	PI6	[1-benzyl-3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-ylamino)-2-hydroxy-propyl]-carbamic acid tert-butyl ester
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)NC(=O)CC)O	PI7	n-[3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-yamino)-2-hydroxy-1-(4-hydroxy-benzyl) -propyl]-3-methyl-2-propionylamino-butyramide
+CC[C@H](C)[C@H]1C(=O)NCCCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H](C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O)O	PI8	n-13-[(10s,13s)-9,12-dioxo-10-(2-butyl)-2-oxa-8,11-diazabicyclo [13.2.2] nonadeca-15,17,18-triene] (2r)-benzyl-(4s)-hydroxy-5-aminopentanoic (1r)-hydroxy-(2s)-indaneamide
+CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)c3ccc(cc3)N	PI9	(10s,13s,1'r)-13-[1'-hydroxy-2'-(n-p-aminobenzenesulfonyl-1''-amino-3''-methylbutyl)ethyl]-8,11-dioxo-10-isopropyl-2-oxa-9,12-diazabicyclo [13.2.2]nonadeca-15,17,18-triene
+C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N	PIA	[(4z)-2-[(1s)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CCCC(=O)OC[C@@H](CO[P@](=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC	PIB	2-(butanoyloxy)-1-{[(hydroxy{[2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}ethyl butanoate
+c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O	PIC	6-(difluoro-phosphono-methyl)-naphthalene-2-carboxylic acid
+CC(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(C(=O)O1)\C=C\[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C	PID	peridinin
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C\CCCCCCCC	PIE	1,2-diacyl-sn-glycero-3-phosphoinositol
+CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC	PIF	(2r)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate
+C(COCCOCCO)O	PIG	2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethanol
+c1ccc(cc1)I	PIH	iodobenzene
+CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)O)O)O)O	PII	2-[(hydroxy{[(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1-[(palmitoyloxy)methyl]ethyl heptadecanoate
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCCCCCC	PIK	(2s)-3-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate
+COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl	PIL	3-(cyclopentyloxy)-n-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide
+c1ccc(cc1)c2cnc[nH]2	PIM	4-phenyl-1h-imidazole
+C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O	PIN	piperazine-n,n'-bis(2-ethanesulfonic acid)
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC	PIO	[(2r)-2-octanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
+C1CCNCC1	PIP	piperidine
+Cn1c2cc(cnc2nc1N)c3ccccc3	PIQ	2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine
+c1cc(ccc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N	PIR	2-(4-amino-phenyl)-5-hydroxymethyl-pyrrolidine-3,4-diol
+OP(=O)(O)O[P@](=O)(O)[S-]	PIS	trihydrogen thiodiphosphate
+c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O	PIT	piceatannol
+Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(=O)(=O)N)C	PIU	1-{2-[4-(aminosulfonyl)phenyl]ethyl}-2,4,6-trimethylpyridinium
+CC(C)(C)C(=O)O	PIV	pivalic acid
+c1ccc(cc1)n2ccnc2	PIW	1-phenyl-1h-imidazole
+c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)O	PIX	4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
+c1ccc(cc1)c2[nH]ccn2	PIY	2-phenyl-1h-imidazole
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC	PIZ	(2s)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate
+CN(C[C@H](Cn1ccnc1)O)c2ccc(cc2)Cl	PJ1	(2r)-1-[(4-chlorophenyl)(methyl)amino]-3-(1h-imidazol-1-yl)propan-2-ol
+CCCCC[C@@H](C/C=C\1/[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O	PJ2	(5z,12z,15s)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid
+CN1CCN(CC1)C2c3ccccc3CC(=N2)Cl	PJ4	(1s)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline
+C1[C@H]([C@@H]([C@H]([C@H]1O)O)O)CO	PJ5	(1~{s},2~{s},3~{s},4~{s})-4-(hydroxymethyl)cyclopentane-1,2,3-triol
+c1c(coc1C(=O)O)N	PJ7	4-aminofuran-2-carboxylic acid
+CCCCCCCCCCCCCCCCC	PJ8	heptadecane
+Cc1cc(c(c2c1C(=O)Oc3c(c(cc(c3O2)C(=O)O)OC)C)C=O)O	PJA	4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11h-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid
+COc1ccc(c(c1)C2=NNC(=S)N2NCc3ccccc3C(=O)O)O	PJB	2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{h}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid
+c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c(cnc(n4)N5CCC(=O)CC5)C(F)(F)F	PJC	3-(1h-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1h-pyrrole-2,5-dione
+CS(=O)(=O)Cc1c(cccc1Cl)Cl	PJD	1,3-dichloro-2-[(methylsulfonyl)methyl]benzene
+C1CNC(=O)[C@@H]1C[C@@H](/C=C/C(=O)O)N	PJE	(e,4s)-4-azanyl-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid
+C1C2CC3CC1CC(C2)(C3)NCCN	PJG	n~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine
+CNC(=O)c1cccnc1	PJH	~{n}-methylpyridine-3-carboxamide
+c1ccc(cc1)C[C@H](C[C@@H]([C@H](Cc2ccccc2)N)O)C(=O)O	PJJ	(2r,4s,5s)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid
+c1cc(c(cc1N2CC[C@@H](C2)C(=O)O)C(F)(F)F)Cl	PJK	(3~{s})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
+C(/C=N/C(=O)/C=C/O)C(=O)O	PJL	(3~{e})-3-[(~{e})-3-oxidanylprop-2-enoyl]iminopropanoic acid
+c1cc(ccc1c2nnc(o2)c3cc(cc(c3)F)c4c(cncn4)F)C(=O)N[C@@H](Cn5ccnc5)c6ccc(cc6Cl)c7ccc(cc7)F	PJM	n-[(1r)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1h-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide
+CCN(CC)S(=O)(=O)c1ccc(cc1)C	PJP	n,n-diethyl-4-methylbenzene-1-sulfonamide
+CN1c2c(n(c(n2)Oc3cccc(c3)OC(F)(F)F)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO	PJQ	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione
+Cc1nccc(n1)C(=O)N(C)Cc2c(cccc2Cl)F	PJS	n-[(2-chloro-6-fluorophenyl)methyl]-n,2-dimethylpyrimidine-4-carboxamide
+Cc1cc2c(s1)N=C3[C@](C2=O)(CCN3c4ccc(cc4)N5CCOCC5)O	PJT	(9~{s})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one
+c1ccc(c(c1)Oc2cccnn2)Br	PJV	3-(2-bromophenoxy)pyridazine
+c1ccc2c(c1)-c3ccccc3I2	PJW	benzo[b][1]benziodole
+CN(C)C(=O)c1cccnc1SC	PJY	n,n-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide
+CCCCCCCCCCCC(=O)OC(C)COC(=O)CC/C=C/C=C/C=C/C=C/C=C/CC	PJZ	(2r)-2-(dodecanoyloxy)propyl (4e,6e,8e,10e,12e)-pentadeca-4,6,8,10,12-pentaenoate
+C[C@]1(C(=O)N(C(=O)N1C)c2ccc(c(c2)C(F)(F)F)C#N)c3ccc(cc3)O	PK0	4-[(4r)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
+C[C@]1(C(=O)N(C(=S)N1C)c2ccc(c(c2)Cl)Cl)c3ccc(cc3)O	PK1	(5r)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one
+CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC4)N=C(NC3=O)N	PK2	6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CNc1[nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N	PK3	6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+Cc1cccc(c1F)S(=O)(=O)NC	PK4	2-fluoro-n,3-dimethylbenzene-1-sulfonamide
+CCC1C(N2CC(CCC2N1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(C(=O)NC5=O)C	PK5	2-ethyl-~{n}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide
+CNS(=O)(=O)c1cccs1	PK6	n-methyl-2-thiophenesulfonamide
+c1cc(c(cc1CN)Cl)F	PK7	1-(3-chloro-4-fluorophenyl)methanamine
+c1cc[n+]2c(c1)S[Zn]O2	PK8	9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene
+CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1	PK9	tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate
+CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl	PKA	n-[(2r)-butan-2-yl]-1-(2-chlorophenyl)-n-methylisoquinoline-3-carboxamide
+CCOc1ccc2c(cnn2n1)c3ccnc(n3)Nc4cc(cc(c4)OC)C(F)(F)F	PKB	4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{n}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
+c1ccc(cc1)C[C@@H]([C@@H](CN)O)N	PKC	(2r,3s)-1,3-diamino-4-phenylbutan-2-ol
+c1cc(ccc1C(=O)N2CSC[C@@H]2C(=O)O)Cl	PKD	(4s)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
+CN(c1c(cccn1)CNc2ccnc(n2)Nc3ccc4c(c3)CC(=O)N4)S(=O)(=O)C	PKE	~{n}-methyl-~{n}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)N[P@@](=O)([C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]3CCCN3C(=O)OCc4ccccc4)O	PKF	carbobenzoxy-pro-lys-phe-y(po2)-ala-pro-ome
+CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3ccc4c(c3)CN(CC4)C(=O)c5ccccc5	PKG	(3s)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1h-benzotriazol-5-yl)propanoic acid
+Cc1ccc(cc1)c2csc3n2c(nn3)SCC(=O)Nc4ccc5c(c4)OCO5	PKJ	n-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
+Cc1ccc(cc1)c2csc3n2c(cn3)C(=O)NCCc4cccc(c4)Cl	PKL	n-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)OC(=O)C	PKM	4-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+CC1(CC(=C(C(=O)C1)c2ccc(cc2)Oc3nc4ccc(cc4s3)Cl)O)C	PKP	4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3h)-one
+C[N@@]1CCC[C@H]1C(=O)O	PKR	(2s)-1-methylpyrrolidine-2-carbaldehyde
+C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/Cc1c(c(cc(n1)OC)O)C)/C)O	PKS	2-[(2e,5e,7e,9r,10r,11e)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSCCC(=O)NCc3cccnc3	PKT	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate
+CNC(=O)c1cc(c[nH]1)Br	PKU	4-bromanyl-~{n}-methyl-1~{h}-pyrrole-2-carboxamide
+B(Cn1cc(nn1)CNS(=O)(=O)c2ccc(cc2)C)(O)OP(=O)(O)O	PKV	[4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
+B(Cn1cc(nn1)c2cccc(c2)C(=O)N)(O)OP(=O)(O)O	PKY	[4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
+CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	PKZ	palmitoyl-coa
+[H]/N=C(/N)\Nc1ccccc1	PL0	1-phenylguanidine
+Cc1c([n+](c(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)[Co]OO)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5ccccc5)O	PL1	cobalt (iii)-deglycopepleomycin
+[H]/N=C(/N)\NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O	PL2	(4-{[(4-{[amino(imino)methyl]amino}butyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+CCCCCCCCCCCCCCCCO	PL3	hexadecan-1-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O	PL4	(2s,6s)-2-amino-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]heptanedioic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O	PL5	(2s,6s)-2-amino-6-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}heptanedioic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](CCC(=O)O)C(=O)O)O	PL6	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-glutamic acid
+c1ccc(cc1)OCC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O	PL7	(2e)-2-({(2s)-2-carboxy-2-[(phenoxyacetyl)amino]ethoxy}imino)pentanedioic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CC=C(NC2=O)CCCO)O	PL8	[5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C	PL9	2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl-2,5-cyclohexadiene-1,4-dione-2,3-dimethyl-5-solanesyl-1,4-benzoquinone
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O	PLA	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-succinic acid
+c1cnc(nc1)Oc2ccc(c(c2)C(=O)O)NC(=O)c3ccc(cc3Cl)Cl	PLB	2-[(2,4-dichlorobenzoyl)amino]-5-(pyrimidin-2-yloxy)benzoic acid
+CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC	PLC	diundecyl phosphatidyl choline
+CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC	PLD	di-heneicosanoyl phosphatidyl choline
+CC(C)C[C@H](N)P(=O)(O)O	PLE	[(1r)-1-amino-3-methylbutyl]phosphonic acid
+C[C@@H](C(=O)O)n1cc(nn1)[C@@H]2CCCN2	PLF	2-[5-(1-amino-2-methyl-butyl)-[1,2,3]triazol-1-yl]-propionic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O	PLG	n-glycine-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane]
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC	PLH	methylamino-phenylalanyl-leucyl-hydroxamic acid
+CC1=C(/C(=C\N=C(/C)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	PLI	(2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}propanoic acid
+COC(=O)[C@@H]1CCCN1	PLJ	methyl l-prolinate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CC(C)C)CC(=O)O)O	PLK	(3r)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-methylhexanoic acid
+C1C2[Pd]1C2	PLL	palladium(ii) allyl complex
+CCCCCCCCCCCCCCCC(=O)O	PLM	palmitic acid
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	PLO	(3beta)-3-hydroxypregn-5-en-20-one
+Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O	PLP	pyridoxal-5'-phosphate
+C1=CC(=O)C=CC1=O	PLQ	1,4-benzoquinone
+Cc1c(cnc(c1O)C)COP(=O)(O)O	PLR	(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O	PLS	[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O	PLT	[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-l-tryptophane
+CC(C)C[C@H](N)P(=O)(O)O	PLU	leucine phosphonic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](COC)C(=O)O)O	PLV	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-o-methyl-l-serine
+CC[C@H](C)[C@@H](c1cnnn1[C@@H](C)C(=O)O)N	PLW	(2s)-2-[5-(1s,2s)-(1-amino-2-methyl-butyl)-[1,2,3]triazol-1-yl]-propionic acid
+CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@@H](CCCCCCCCCCCCCCC)O)CO[P@](=O)(O)OCC[N+](C)(C)C	PLX	(9r,11s)-9-({[(1s)-1-hydroxyhexadecyl]oxy}methyl)-2,2-dimethyl-5,7,10-trioxa-2lambda~5~-aza-6lambda~5~-phosphaoctacosane-6,6,11-triol
+CCCCCCCCCCCCCCCC=O	PLY	palmitoyl
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(=O)O)O	PLZ	4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@]4([C@@H](C3)[C@@H](C(=C(C4=O)C(=O)C)O)OC)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O	PM0	premithramycin b
+c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3)C(=O)c4c(cccc4F)F)N	PM1	[2-amino-6-(2,6-difluoro-benzoyl)-imidazo[1,2-a]pyridin-3-yl]-phenyl-methanone
+c1ccc(cc1)CCc2cc(cnc2)C(=O)N3CCC(CC3)c4cccc(c4)CN	PM2	1-[3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine
+c1cc(ccc1C[C@@H](C(=O)O)N)CP(=O)(O)O	PM3	2-amino-3-(4-phosphonomethyl-phenyl)-propionic acid
+CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O	PM4	s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) hexanethioate
+CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O	PM5	s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) heptanethioate
+c1[nH]c2c(n1)c(ncn2)S	PM6	9h-purine-6-thiol
+CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	PM7	(5as,12as,13as)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O	PM8	s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) decanethioate
+CC1=C(/C(=C\N=C(/CCSC)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	PM9	(2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-4-(methylsulfanyl)butanoic acid
+c1c(c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O	PMA	pyromellitic acid
+c1cc(ccc1S(=O)(=O)O)[Hg]	PMB	para-mercury-benzenesulfonic acid
+c1cc(c(nc1)C(=O)O)CP(=O)(O)O	PMC	3-(phosphonomethyl)pyridine-2-carboxylic acid
+c1ccc2c(c1)C=Cc3ccccc3N2Cc4cnc5c(n4)c(nc(n5)N)N	PMD	[n-(2,4-diaminopteridin-6-yl)-methyl]-dibenz[b,f]azepine
+COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N	PME	n-l-alpha-aspartyl l-phenylalanine 1-methyl ester
+c1ccc(cc1)CS(=O)(=O)F	PMF	phenylmethylsulfonyl fluoride
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CCC(=O)O)C(=O)O)O	PMG	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-l-glutamic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O	PMH	(5-hydroxy-4-{[(3-hydroxyisoxazol-4-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+c1ccc2c(c1)CC(C2)(N)P(=O)(O)O	PMI	(2-amino-2,3-dihydro-1h-inden-2-yl)phosphonic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc2ccccc2)\\N	PMJ	n~2~-(benzylsulfonyl)-d-arginyl-n-(4-carbamimidoylbenzyl)glycinamide
+CCCCCCC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(O)O	PMK	(4r,8s,16s,20r)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate
+C(CCC(=O)O)CCC(=O)O	PML	pimelic acid
+c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O	PMM	pterin-6-yl-methyl-monophosphate
+C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C=C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O)O2	PMN	platensimycin
+COc1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	PMO	n1-(5'-phospho-alpha-ribosyl)-5-methoxybenzimidazole
+Cc1c(c(c(cn1)COP(=O)(O)O)CN)O	PMP	4'-deoxy-4'-aminopyridoxal-5'-phosphate
+c1ccc(cc1)CNC(=O)O	PMQ	benzylcarbamic acid
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(=C9CCC(=O)O)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C	PMR	protochlorophyllide
+c1ccc(cc1)CS(=O)(=O)O	PMS	phenylmethanesulfonic acid
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O	PMT	phosphoric acid mono-[3-(3-{[5-(4-amino-2-oxo-2h-pyrimidin-1-yl)-3,4- dihydroxy-tetrahydro-furan-2- ylmethoxy]-hydroxy-phosphoryloxy}-3-oxo-propylcarbamoyl)-3-hydroxy-2,2- dimethyl-propyl] ester
+CC(C)c1cc(nc(n1)N)c2cc(ccc2O)N3C[C@@H]([C@H](C3)O)O	PMU	(3s,4s)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol
+C[C@@](CCOP(=O)(O)O)(CC(=O)O)O	PMV	(3r)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid
+CC[C@H]([C@H]1c2nnc(n2-c3c(c(c(s3)C)C)[C@H](N1)c4ccc(cc4)Cl)C)C(=O)OC	PMW	 methyl (r)-2-((s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)butanoate
+COC(=O)/C=C/C(=O)N[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O	PMX	3-chloro-n-[(2e)-4-methoxy-4-oxobut-2-enoyl]-l-tyrosine
+Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5ccccc5)O	PMY	aglycon of peplomycin
+CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C	PMZ	1-[10-(3-dimethylamino-propyl)-10h-phenothiazin-2-yl]-ethanone
+CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)Oc3ccncc3)C(=O)NO)C	PN0	prinomastat
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](c3ccccc3)N)C(=O)O)C	PN1	(2s,6r)-6-{[(2r)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+CC(C)(CO[P@](=O)(O)OCC(=C=O)N)[C@H](C(=O)NCCC(=O)NCCS)O	PN2	4'-(3-aminopropionic) phosphopantetheine
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(C=O)O	PN3	tert-butyl {(2s)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate
+CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O	PN4	(2r)-2,4-dihydroxy-3,3-dimethyl-n-[3-oxo-3-(pentylamino)propyl]butanamide
+CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O	PN5	(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate
+CC(C)(C)c1c(nc[nH]1)/C=C\2/C(=O)N/C(=C\c3ccccc3)/C(=O)N2	PN6	(3z,6z)-3-benzylidene-6-[(5-tert-butyl-1h-imidazol-4-yl)methylidene]piperazine-2,5-dione
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O	PN7	n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(2-sulfanylethyl)-beta-alaninamide
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CN[N]#N)O	PN8	(1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	PNA	4-nitrophenyl alpha-d-mannopyranoside
+c1cc(ccc1CO[P@](=O)(CCCC(=O)NCC(=O)O)O)[N+](=O)[O-]	PNB	4-nitro-benzylphosphonobutanoyl-glycine
+c1cc(ccc1CNC(=O)CCCC(=O)NCC(=O)O)[N+](=O)[O-]	PNC	para-nitrobenzyl glutaryl glycinic acid
+c1cc(ccc1NN)[N+](=O)[O-]	PND	p-nitrophenylhydrazine
+CC(C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]	PNE	para-nitrophenyl phosphonobutanoyl l-alanine
+c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCCCCCC(=O)O)O	PNF	6-{4-[hydroxy-(4-nitro-phenoxy)-phosphoryl]-butyrylamino}-hexanoic acid
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	PNG	4-nitrophenyl alpha-d-glucopyranoside
+CCCC(=O)C	PNH	pentan-2-one
+CN1C=CC(=C2c3ccc4n3[Ni]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1	PNI	tetra[n-methyl-pyridyl] porphyrin-nickel
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N	PNJ	4-nitrophenyl 2-amino-2-deoxy-beta-d-glucopyranoside
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C	PNK	(2r,4s)-2-{(r)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CCC=O	PNL	propanal
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)Cc2ccccc2)C(=O)O)C	PNM	open form - penicillin g
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C	PNN	penicillin g
+C[P@](=O)(N)O	PNO	p-methyl aminophosphinic acid
+C[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]	PNP	methyl-phosphonic acid mono-(4-nitro-phenyl) ester
+[Be](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1)[N+](=O)[O-])(F)(F)F	PNQ	p-nitrophenyl aminoethyldiphosphate beryllium trifluoride
+CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]	PNR	4-nitrophenyl hexadecanoate
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	PNS	4'-phosphopantetheine
+c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N	PNT	1,5-bis(4-amidinophenoxy)pentane
+C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N	PNU	6-chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfanyl)-pyrimidin-4-ylamine
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)O)C	PNV	(2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1- azabicyclo(3.2.0)heptane-2-carboxylic acid
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	PNW	4-nitrophenyl beta-d-glucopyranoside
+CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C	PNX	3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1h-purine-2,6-dione
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O	PNY	(2r)-2,4-dihydroxy-3,3-dimethyl-n-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
+c1cc(ccc1CN)[N+](=O)[O-]	PNZ	p-nitro-benzylamine
+CC[C@H](Cc1ccccc1)N	PO0	1-benzyl-(r)-propylamine
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N)OC	PO1	(9beta,13alpha,14beta,17alpha)-2-methoxyestra-1,3,5(10)-triene-3,17-diyl disulfamate
+[O-]P=O	PO2	hypophosphite
+[O-][P-](=O)[O-]	PO3	phosphite ion
+[O-]P(=O)([O-])[O-]	PO4	phosphate ion
+CN(C)C[C@@H](COc1ccc(cc1)Nc2nccc(n2)c3cnn4c3ccc(n4)N5CCOCC5)O	PO5	(2s)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol
+c1ccc(cc1)OCC(=O)N	PO6	2-phenoxyacetamide
+CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)NC(=Cc3cc(ccc3F)F)C(=O)N2	PO7	(6z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]piperazine-2,5-dione
+C([C@H]1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)[NH3+])O	PO8	(1~{r},2~{s},3~{s},4~{s},5~{r},6~{r})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](COP(=O)(O)O)O	PO9	[(2r)-2-hexadecanoyloxy-3-[oxidanyl-[(2s)-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (z)-octadec-9-enoate
+C(C=O)P(=O)(O)O	POA	phosphonoacetaldehyde
+CC[C@H](C(=O)O)O[P@](=O)([C@@H](C)N)OP(=O)(O)O	POB	2-[(1-amino-ethyl)-phosphate-phosphinoyloxy]-butyric acid
+C[N+](C)(C)CCOP(=O)(O)O	POC	phosphocholine
+COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5C2C(=O)OC5)O)OCO4	POD	9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC(=O)N(C2=O)Cc5cccnc5)OS(=O)(=O)N	POF	(4as,4br,10bs,12as)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate
+C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O	POG	(20s)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol
+C[n+]1ccc(cc1)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7cc[n+](cc7)C)/C=C5)/c8cc[n+](cc8)C)/cc4)/c9cc[n+](cc9)C)C=C3	POH	(1z,4z,9z,15z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCC[C@@H](C(=O)O)NC(=O)C)O	POI	n~2~-acetyl-n~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-ornithine
+c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCC[C@H]3CN4CCOCC4	POJ	n-[4-({(2s)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-n'-[4-(trifluoromethyl)phenyl]urea
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCC(=O)O	POK	2-[[~{n}-[(4~{s})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid
+CCCO	POL	n-propanol
+C[C@H]1C(=O)C[C@H](N1)C(=O)O	POM	cis-5-methyl-4-oxoproline
+N=[P@@](O)([O-])O[P@](=O)(O)[O-]	PON	imido diphosphate
+C[N@]1CCC[C@H](C1)CN(C)C(=O)Cn2c3cc(ccc3c(c2c4ccccc4)C5CCCCC5)C(=O)O	POO	3-cyclohexyl-1-(2-{methyl[(1-methylpiperidin-3-yl)methyl]amino}-2-oxoethyl)-2-phenyl-1h-indole-6-carboxylic acid
+O[P@@](=O)([O-])O[P@@](=O)(O)[O-]	POP	pyrophosphate 2-
+CCO[P@@](=O)(O)O[C@@H]1[C@H]([C@@H](C(O[C@H]1O)COP(=O)(O)OCC2[C@H]([C@@H]([C@H]([C@@H](O2)O)O[P@@](=O)(O)OCC)O)O)O)O	POQ	bis(((3s,4s,5r,6r)-5-(ethyl(phosphoryloxy))-3,4,6-trihydroxy-tetrahydro-2h-pyran-2-yl)methyl) hydrogen phosphate
+c1cc2n3c1C=C4C=CC5=[N]4[Fe]36[N]7=C(C=CC7=C2)C=C8N6C(=C5)C=C8	POR	porphyrin fe(iii)
+CC(C)C[C@@H](C(=O)NC[C@H](CNS(=O)(=O)c1ccc(cc1)Oc2ccccc2)O)NC(=O)c3ccncc3	POS	1-[[(4-phenoxyphenyl)sulfonyl]amino]-3-[[n/n-(4-pyridinylcarbonyl)-l-leucyl]amino]-2-propanol
+CC[C@@H](COc1ccccc1)O[P@](=O)(C)Cl	POT	(1s)-1-(phenoxymethyl)propyl methylphosphonochloridoate
+CC[C@@H](CO)/C=C(/C)\[C@@H]1C[C@H](C[C@@H](C([C@@]2([C@@H]([C@@H](C[C@@H](O2)C[C@H]([C@@H](C(=O)O1)O)OC)OC)O)O)(C)C)O)OC	POU	peloruside a
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	POV	(2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
+c1ccc(cc1)NC(=O)OC[C@@H](CN2CCCCC2)OC(=O)Nc3ccccc3	POW	diperodon
+COCCO/N=C/c1c(ncnc1Nc2ccc3c(c2)cnn3Cc4cccc(c4)F)N	POX	4-amino-6-{[1-(3-fluorobenzyl)-1h-indazol-5-yl]amino}pyrimidine-5-carbaldehyde o-(2-methoxyethyl)oxime
+CCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C	POY	3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1h-purine-2,6-dione
+CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@@H]5CC[C@@](O5)(Cn6cncn6)c7ccc(cc7F)F	POZ	2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-o-{4-[4-(4-{1-[(1s,2s)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4h-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1h-1,2,4-triazol-1-yl)-d-erythro-hexitol
+CCn1c(c(c(c1C(=O)OCC)C)C(=O)N2CCN(CC2)Cc3ccccc3)C	PP0	ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1h-pyrrole-2-carboxylate
+Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	PP1	1-ter-butyl-3-p-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
+CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N	PP2	1-tert-butyl-3-(4-chloro-phenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O	PP3	alanyl-pyridoxal-5'-phosphate
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc2ccccc2c1)[P@@](=O)([O-])O[C@@H](Cc3ccccc3)C(=O)OC)NC=O	PP4	methyl (2s)-[1-((n-formyl)-l-valyl)amino-2-(2-naphthyl)ethyl)hydroxyphosphinyloxy]-3-phenyl propanoate
+CC(C)[C@@H](C(=O)NC[P@](=O)([O-])O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)Cc2cccc3c2cccc3	PP5	methyl (2s)-[1-((n-(naphthaleneacetyl))-l-valyl)aminomethyl)hydroxyphosphinyloxy]-3-phenyl propanoate
+CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc3cccc(c3c2)CC(=O)N1)[P@@](=O)([O-])O[C@@H](Cc4ccccc4)C(=O)OC	PP6	methyl[cyclo-7[(2r)-((n-valyl)amino)-2-(hydroxyl-(1s)-1-methyloxycarbonyl-2-phenylethoxy)phosphinyloxy-ethyl]-1-naphthaleneacetamide]
+CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)NCc2cccc(c2)C[C@H](O[P@]1(=O)O)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C	PP7	methyl cyclo[(2s)-2-[[(1r)-1-(n-(l-n-(3-methylbutanoyl)valyl-l-aspartyl)amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-(3-aminomethyl)phenylpropanoate
+CC(C)C[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC	PP8	2-[(1r)-1-(n-(3-methylbutanoyl)-l-valyl-l-asparaginyl)-amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-phenylpropanoic acid methylester
+Cc1c2\cc\3/nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C	PP9	protoporphyrin ix
+B([C@H](Cc1cccc(c1)C#N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)(O)O	PPB	1-{[1-(2-amino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-2-(3-cyano-phenyl)-ethaneboronic acid
+C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O	PPC	1-o-[(r)-hydroxy(phosphonomethyl)phosphoryl]-5-o-phosphono-alpha-d-ribofuranose
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CC(=O)O)C(=O)O)O	PPD	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethylene)-amino]-succinic acid
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O	PPE	4-[(1,3-dicarboxy-propylamino)-methyl]-3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridinium
+C(=O)(O)P(=O)(O)O	PPF	phosphonoformic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\OCCN)/C(=O)O)O	PPG	(2e,3e)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid
+c1ccc(cc1)C[C@H](N)P(=O)(O)O	PPH	[(1r)-1-amino-2-phenylethyl]phosphonic acid
+CCC(=O)O	PPI	propanoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](C[C@H](C)O)C(=O)O)O	PPJ	n-(hydroxy{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)norvaline
+N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O	PPK	(diphosphono)aminophosphonic acid
+CC(C)(C)NC(=O)[C@@H]1CCCCN1	PPL	piperidine-2-carboxylic acid tert-butylamide
+CP(=O)(O)O	PPM	phosphonomethyl group
+c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-]	PPN	para-nitrophenylalanine
+c1nc2c(c(n1)O)N=NC2	PPO	3h-pyrazolo[4,3-d]pyrimidin-7-ol
+c1ccc(cc1)C[C@@H](CO)O	PPP	3-phenyl-1,2-propandiol
+C[P@](=O)(CC[C@@H](C(=O)O)N)O	PPQ	phosphinothricin
+C(C(=O)C(=O)O)P(=O)(O)O	PPR	phosphonopyruvate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N	PPS	3'-phosphate-adenosine-5'-phosphate sulfate
+Cc1ccc(cc1)CCC(=O)O	PPT	3-(p-tolyl)propionic acid
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O	PPU	puromycin-5'-monophosphate
+OP(=O)(O)OP(=O)(O)O	PPV	pyrophosphate
+c1c2c(n(n1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	PPW	7-deaza-8-aza-2'-deoxyguanosine-5'-monophosphate
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCNc3ccncc3)N	PPX	[phenylalaninyl-prolinyl]-[2-(pyridin-4-ylamino)-ethyl]-amine
+c1ccc(cc1)CC(=O)C(=O)O	PPY	3-phenylpyruvic acid
+c1ccn2c(c1)nc3c2ncnc3NCCO	PPZ	2-(pyrido[1,2-e]purin-4-yl)amino-ethanol
+c1c(c2c([nH]1)N=C(NC2=O)N)C#N	PQ0	2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN	PQ1	phosphoric acid mono-[5-(2-amino-5-aminomethyl-4-oxo-3,5-dihydro-4h-pyrido[2,3-d]pyrimidin-8-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester
+CC\1(C(/C/2=C/C3=N/C(=C\c4c(c(c([nH]4)Cc5c(c(c([nH]5)/C=C1\N2)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)/C(C3(C)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O	PQ2	3,3',3'',3'''-[(7s,8s,12s,13s)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid
+C[N]1=CC(=Cc2c1cccc2)NC(=O)c3ccc4ccc5ccc(nc5c4n3)C(=O)NC6=Cc7ccccc7[N](=C6)C	PQ3	n2,n9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide
+c1cc(ccc1/C=C(/C(=O)O)\N)O	PQ4	(2z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid
+c1cc(c2cc1-c3cnn4c3nc(cc4)NCCOCCO2)C(=O)O	PQ5	7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N5CCCC5	PQ7	4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium
+CC(C)(C)OC(=O)N(CCOCCO)c1ccn2c(n1)c(cn2)c3ccc(c(c3)O)C(=O)O	PQ8	4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid
+CC1=C(C(=O)C(=CC1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C	PQ9	5-[(2e,6e,10e,14e,18e,22e)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-2,3-dimethylbenzo-1,4-quinone
+c1cc(cc(c1)OC2CCNCC2)C(=O)c3cnn(c3N)c4ccc(cc4)F	PQA	[5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone
+c1cc(cc(c1)OC[C@H](CO)O)C(=O)c2cnn(c2N)c3ccc(cc3)F	PQB	[5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl](3-{[(2r)-2,3-dihydroxypropyl]oxy}phenyl)methanone
+c1ccc(cc1)c2cc3c(s2)ccc4c3nc(nc4)Nc5cccc(c5)S(=O)(=O)N	PQC	3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide
+c1cc(cc(c1)N)Cn2ccc3c2ccc4c3c(nc(n4)N)N	PQD	7-[(3-aminophenyl)methyl]-7h-pyrrolo[3,2-f]quinazoline-1,3-diamine
+CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO	PQE	3,6,12,15,18,21,24-heptaoxahexatriacontan-1-ol
+c1ccc(cc1)C2CCC(CC2)(C(=O)O)N	PQG	cis-1-amino-4-phenylcyclohexane-1-carboxylic acid
+Cc1c(cc([nH]1)C(F)(F)F)C(=O)O	PQH	2-methyl-5-(trifluoromethyl)-1~{h}-pyrrole-3-carboxylic acid
+CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C	PQJ	fos-choline-14
+Cc1cc(c(n1C2CC2)C)C(=O)O	PQK	1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid
+c1cc(cnc1)c2ccc(cc2)C(=O)O	PQM	4-(pyridin-3-yl)benzoic acid
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C	PQN	phylloquinone
+c1cc(ccc1C(=O)O)n2ccnc2	PQP	4-(1h-imidazol-1-yl)benzoic acid
+c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O	PQQ	pyrroloquinoline quinone
+CN(c1ccc(c(c1)O)O)N=O	PQR	4-[methyl(nitroso)amino]benzene-1,2-diol
+c1ccnc(c1)c2ccc(cc2)C(=O)O	PQS	4-(pyridin-2-yl)benzoic acid
+c1ccc(c(c1)N2CC[C@H](C2)C(=O)O)Cl	PQT	(3~{r})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
+C1CCCN(CC1)CCNC(=O)/C=N/O	PQV	(2e)-n-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide
+[H]/N=C(/c1cccs1)\Nc2cccc(c2)O[C@@H]3C[C@H](NC3)COc4ccc(cc4)N=C(c5cccs5)N	PQW	n'-[4-[[(2s,4r)-4-[3-[(c-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide
+C1CN(CCN(C1)CCNC(=O)/C=N/O)CCNC(=O)/C=N/O	PQY	(2e,2'e)-n,n'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide]
+Cc1cc(c(n1CC2CC2)C)C(=O)O	PQZ	1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
+[Pr+3]	PR	praseodymium ion
+C[C@H]([C@H](Cc1ccccc1)N)O	PR0	3(s)-amino-4-phenyl-butan-2(r)-ol
+c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4cc(ccc4O)C(=N)N)nc1	PR1	4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine
+c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4cc5ccncc5[nH]4)nc1	PR2	thieno[3,2-b]pyridine-2-sulfonic acid [2-oxo-1-(1h-pyrrolo[2,3-c]pyridin-2-ylmethyl)-pyrrolidin-3-yl]-amide
+CCCSSC[C@@H](C=O)N	PR3	s,s-propylthiocysteine
+C1C[C@H]([N@@](C1)C[C@H](C(=O)O)O)C(=O)O	PR4	1-[(2r)-2-carboxy-2-hydroxyethyl]-l-proline
+c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	PR5	purine riboside-5'-monophosphate
+C(C(=O)O)C(=O)Cl	PR6	3-chloro-3-oxopropanoic acid
+C1C[C@H]([N@@](C1)C[C@@H](C(=O)O)O)C(=O)O	PR7	1-[(2s)-2-carboxy-2-hydroxyethyl]-l-proline
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@@H]4CCCN4)O)O)N	PR8	5'-o-[(r)-hydroxy{[(2s)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine
+C1C[C@@H](NC1)C(=O)N	PR9	d-prolinamide
+c1ccc(cc1)CCCN	PRA	3-phenylpropylamine
+C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)O	PRB	13-acetylphorbol
+Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccnc4	PRC	n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide
+C[N@](Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3nc2)N)N	PRD	n6-(2,5-dimethoxy-benzyl)-n6-methyl-pyrido[2,3-d]pyrimidine-2,4,6-triamine
+C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O	PRE	prephenic acid
+c1c(c2c([nH]1)N=C(NC2=O)N)CN	PRF	7-deaza-7-aminomethyl-guanine
+c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O	PRH	6-hydroxy-1,6-dihydro purine nucleoside
+C1C[C@H](NC1)C=O	PRI	pyrrolidine-2-carbaldehyde
+C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)O	PRJ	(2s,3as,6r,7as)-6-hydroxyoctahydro-1h-indole-2-carboxylic acid
+CCC(=O)NCCCC[C@@H](C(=O)O)N	PRK	n~6~-propanoyl-l-lysine
+c1cc(cc2c1cc3ccc(cc3n2)N)N	PRL	proflavin
+CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N	PRM	3,8-diamino-5[3-(diethylmethylammonio)propyl]-6-phenylphenanthridinium
+c1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	PRN	purine 2'-deoxyribo-5'-monophosphate
+C1C[C@H](NC1)C(=O)O	PRO	proline
+C1C[C@H]([N-]C1)C(=O)[O-]	PRO_LEO2	l-proline c-terminal deprotonated fragment
+C1C[C@H]([N-]C1)C(=O)O	PRO_LEO2H	l-proline c-terminal protonated fragment
+C1C[C@H](NC1)C(=O)O	PRO_LFOH	l-proline free neutral
+C1C[C@H]([NH2+]C1)C(=O)[O-]	PRO_LFZW	l-proline free zwitterion
+C1C[C@H]([N-]C1)[C-]=O	PRO_LL	l-proline - linking embedded
+C1C[C@H]([NH2+]C1)[C-]=O	PRO_LSN3	l-proline n-terminal protonated fragment
+C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O	PRP	1-o-pyrophosphono-5-o-phosphono-alpha-d-ribofuranose
+c1ccc(c(c1)[C@H](CC(=O)O)N)[N+](=O)[O-]	PRQ	(3s)-3-amino-3-(2-nitrophenyl)propanoic acid
+C[n+]1cccc(c1)C[C@@H](C(=O)O)N	PRR	3-(methyl-pyridinium)alanine
+C1[C@H](NCS1)C(=O)O	PRS	thioproline
+[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	PRT	 phosphoribosyl atp 
+C[C@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	PRU	(3r,5r,7r)-octane-1,3,5,7-tetracarboxylic acid
+c1ccc(c(c1)[C@H](C(=O)O)N)[N+](=O)[O-]	PRV	(2r)-amino(2-nitrophenyl)ethanoic acid
+C([C@H]([C@H](C(=O)O)O)O)N	PRW	(2r,3r)-4-amino-2,3-dihydroxybutanoic acid
+CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	PRX	adenosine-5'-monophosphate-propyl ester
+CCCc1ccccc1N	PRY	2-propyl-aniline
+CC(C)Cc1c(nccn1)OC	PRZ	2-isobutyl-3-methoxypyrazine
+C[C@@H]([C@H](Cc1ccccc1)N)O	PS0	3(s)-amino-4-phenyl-butan-2(s)-ol
+CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCC	PS1	1,2-didecanoyl-sn-glycero-3-[phospho-l-serine]
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br	PS2	o-[{[(2r)-2-{[(9s,10s)-9,10-dibromooctadecanoyl]oxy}-3-(palmitoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine
+CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H](Cc3cccc(c3)Cl)N	PS4	n-({(2s)-1-[(3r)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
+[S-]SSS[S-]	PS5	pentasulfide-sulfur
+CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCC	PS6	o-[(s)-{[(2s)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-d-serine
+CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(\C)/CCC=C(C)C)CO[P@](=O)(O)OP(=O)(O)O)/C)/C)C	PS7	{(1r,2r,3r)-2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1e,5e)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccc(nc3)N4CCNCC4)Cl	PS8	2,6-dichloro-4-(6-piperazin-1-ylpyridin-3-yl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+S1SSSSSSS1	PS9	octathiocane
+c1ccc(cc1)C[C@@H]([C@H](CC(=O)O)O)N	PSA	3-hydroxy-4-amino-5-phenylpentanoic acid
+c1ccc(c(c1)CNC(=O)c2cccc(c2)n3nc4c(n3)nc(nc4O)N)Sc5ccccc5CO	PSB	3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-n-[2-(2-(hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CC=CCCCCC	PSC	(7r,17e,20e)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosa-17,20-dien-1-aminium 4-oxide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(NC(=O)[C@@H]4CCCN4)O)O)O)N	PSD	5'-o-[n-(prolyl)-sulfamoyl]adenosine
+C([C@H](COP(=O)(O)O)N)O	PSE	o-phosphoethanolamine
+CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC	PSF	1,2-dicaproyl-sn-phosphatidyl-l-serine
+c1cc(ccc1[N+](=O)[O-])SC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	PSG	4-nitrophenyl 1-thio-beta-d-glucopyranoside
+c1c(ncn1[P@@](=O)(O)S)C[C@@H](C(=O)O)N	PSH	1-thiophosphono-l-histidine
+C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N	PSI	methyl n-{(4s,5s)-5-[(l-alanyl-l-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-l-valyl-l-valinate
+C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O	PSJ	d-psicose
+CC[C@@H]([C@@H](C)C(=O)C[P@@H](=O)O)O	PSK	[(3r,4s)-4-hydroxy-3-methyl-2-oxohexyl]phosphonic acid
+[O-]S(=O)(=O)OS(=O)(=O)[O-]	PSL	pyrosulfate
+CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(=N)N	PSM	n-[dihydroxy(propyl)-lambda~4~-sulfanyl]threonyl-n~1~-{4-[amino(imino)methyl]benzyl}methioninamide
+c1ccc(cc1)CO[P@@](=O)(O)Oc2ccccc2C=O	PSN	benzyl 2-formylphenyl hydrogen phosphate
+Cc1c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CO	PSO	4'-hydroxymethyl-4,5',8-trimethylpsoralen
+c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C=NO	PSP	1,3-propylene-bis-n,n'-syn-4-pyridiniumaldoxime
+C(C[C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O	PSQ	ndelta-(n'-sulphodiaminophosphinyl)-l-ornithine
+CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	PSR	thiobutyric acid s-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester
+CCCC[C@@H](C(=O)O)N1CCN[C@@H](C1=O)Cc2ccccc2	PSS	(2s)-2-[(3r)-3-benzyl-2-oxopiperazin-1-yl]hexanoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O)O	PST	thymidine-5'-thiophosphate
+C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	PSU	pseudouridine-5'-monophosphate
+C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)O	PSV	alpha-d-psicofuranose
+C([C@@H](C(=O)O)N)[Se]S	PSW	3-(sulfanylselanyl)-l-alanine
+CC[C@@H]([C@@H](C)[C@@H](CP(=O)(O)O)O)O	PSX	[(2s,3r,4s)-2,4-dihydroxy-3-methylhexyl]phosphonic acid
+C=CS(=O)(=O)Oc1ccccc1	PSY	phenyl ethenesulfonate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O)O)O	PSZ	4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]thiophene-2-carboxylic acid
+[Pt+2]	PT	platinum (ii) ion
+CCOC(=O)C[P@](=O)([C@H](CC(C)C)N)O	PT0	(r)-[(1r)-1-amino-3-methylbutyl](2-ethoxy-2-oxoethyl)phosphinic acid
+c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O	PT1	pteroic acid
+c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Pt]45NCCN5	PT2	[ethane-1,2-diaminato(2-)-kappa~2~n,n'](1,10-phenanthroline-kappa~2~n~1~,n~10~)platinum(2+)
+CCCNC(=O)[C@@H]([C@H](C(=O)O)O)O	PT3	n-propyl-tartramic acid
+[Pt+4]	PT4	platinum (iv) ion
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CC/C=C\CC=CCC=CCCCCC	PT5	[(2r)-1-octadecanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8z)-icosa-5,8,11,14-tetraenoate
+Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3	PT6	1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1h)-one
+c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl	PT7	chloro[2-(pyridin-2-yl-kappan)phenyl-kappac~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+)
+C1=CC2=[N](C=C1)[Pt]34[N]5=C(C=CC=C5)NC6=CC=CC(=[N]63)C7=[N]4C(=CC=C7)N2	PT9	[pt(h2bapbpy)] platinum
+CC(C)C[C@H](N)[P@@](=O)(CC(=O)O)O	PTA	[(1-amino-3-methyl-butyl)-hydroxy-phosphinoyl]-acetic acid
+CC(C)(C)c1nnc(o1)C(=O)[C@@H]2CCCN2	PTB	(5-tert-butyl-1,3,4-oxadiazol-2-yl)[(2r)-pyrrolidin-2-yl]methanone
+CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2ccc(cc2)OP(=O)(O)O	PTC	2-methylcarbamoyl-3-(4-phosphonooxy-phenyl)-cyclopropanecarboxylic acid
+C(CC=O)CC=O	PTD	pentanedial
+C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)O[P@](=O)(O)O[Mg]([OH2])([OH2])O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S[W])S	PTE	tungstopterin cofactor
+CSCc1ccccc1	PTF	[(methylsulfanyl)methyl]benzene
+CCCCC\C=C\C=C1[C@H](C=CC1=O)C\C=C\CCCC(=O)O	PTG	(5e,14e)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid
+c1cc(c(cc1C[C@@H](C(=O)O)N)CO)OP(=O)(O)O	PTH	ce1-methylene-hydroxy-phosphotyrosine
+c1ccc(cc1)N2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCCC5)O	PTI	2-phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-1,2,3,4-tetrahydro-isoquinolin-6-ol
+CC(C)(COP(=O)(O)O)[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	PTJ	5'-o-[(s)-hydroxy{[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosine
+c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	PTK	pyrene-1,3,6,8-tetrasulfonic acid
+CCCCC=O	PTL	pentanal
+C[C@](Cc1ccc(cc1)OP(=O)(O)O)(C(=O)O)N	PTM	alpha-methyl-o-phosphotyrosine
+[NH3][Pt+2]([NH3])[NH3]	PTN	platinum triamine ion
+CN1[C@H]2CC[C@@H]1CC(C2)O	PTO	pseudotropine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O	PTP	thymidine-3',5'-diphosphate
+c1ccc(cc1)CCS[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	PTQ	2-phenylethyl 1-thio-beta-d-galactopyranoside
+c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O	PTR	o-phosphotyrosine
+C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)N	PTS	(4s-trans)-4-(amino)-5,6-dihydro-6-methyl-4h-thieno (2,3-b)thiopyran-2-sulfonamide-7,7-dioxide
+COc1c2c(nc(n1)N)N[C@H]3[C@@H](N2)C4=C5[C@H](O3)COP(=O)(O[Mg]OP(=O)(OC[C@@H]6C7=C([C@H]8[C@@H](O6)NC9=C(N8)C(=O)NC(=N9)N)S[W](S5)(S7)(S4)O)O)O	PTT	tungstopterin
+CCSC(=Nc1ccccc1)N	PTU	2-ethyl-1-phenyl-isothiourea
+c1cc(sc1)C(=O)CSc2nc([nH]n2)c3ccncc3	PTV	2-[[5-(4-pyridyl)-1h-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone
+C1N2CN3CN1CP(C2)C3	PTW	1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane
+CO/N=C(/c1csc(n1)N)\C(=O)NCP(=O)(O)O	PTX	{[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanoyl]amino}methylphosphonic acid
+CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN	PTY	phosphatidylethanolamine
+Cc1c(nc(s1)N)c2ccccc2	PTZ	5-methyl-4-phenyl-1,3-thiazol-2-amine
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)NP(=O)(O)O)O	PU	puromycin-n-aminophosphonic acid
+CCCCn1c(nc2c1nc(nc2N)F)Cc3cc(ccc3OC)OC	PU0	9-butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine
+COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(nc(nc3n2CCCC#C)F)N	PU1	8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9h-purin-6-ylamine
+COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC	PU2	8-(2,5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine
+CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC	PU3	9-butyl-8-(3,4,5-trimethoxybenzyl)-9h-purin-6-amine
+CCCCn1c(nc2c1ncnc2N)Cc3ccc(cc3)OC	PU4	9-butyl-8-(4-methoxybenzyl)-9h-purin-6-amine
+CCCCn1c(nc2c1ncnc2N)Cc3cccc(c3)OC	PU5	9-butyl-8-(3-methoxybenzyl)-9h-purin-6-amine
+CCCCn1c(nc2c1ncnc2N)Cc3ccc4c(c3)OCO4	PU6	8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9h-
+CCCCn1c(nc2c1ncnc2N)Cc3cc(ccc3OC)OC	PU7	9-butyl-8-(2,5-dimethoxy-benzyl)-9h-purin-6-ylamine
+CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3Cl)OC)OC)OC	PU8	9-butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)-9h-purin-6-ylamine
+COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(ncnc3n2CCCC#C)N	PU9	8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9h-purin-6-ylamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=CC(=O)NC5=O)OP(=O)(O)O)O)N	PUA	adenylate-3'-phosphate-[[2'-deoxy-uridine-5'-phosphate]-3'-phosphate]
+CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	PUB	phycourobilin
+CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)CO2)O	PUC	(5z)-7-{(1r,4s,5s,6r)-6-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid
+C[C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O	PUD	6-deoxy-l-psicose
+c1ccc(cc1)N2CC[C@H](C2)C(=O)O	PUE	(3~{r})-1-phenylpyrrolidine-3-carboxylic acid
+C[C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O	PUF	6-deoxy-alpha-l-psicofuranose
+C([C@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC1=O	PUG	3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl)
+CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+]4CC(C4)F)C=C3[Si](c5c2ccc(c5)N6CC(C6)F)(C)C)C(=O)O	PUJ	(1e,3s)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5h)-ylidene}-3-fluoroazetidin-1-ium
+c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)N	PUK	n-[(2s)-2-amino-3-phenylpropyl]-l-phenylalanine
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](C)[C@H](\C=C\C=C\C=C\C(=O)[C@@H](C)[C@H]([C@H](C)[C@@H]2C\C=C\C=C\C=C\[C@@H](C(=O)C(=C\C=C\C(=C\[C@H](/C(=C/CC(=O)O2)/C)O)\C)C)O)O)O)OC)O)OC	PUL	(1s,2s,3e,5e,7e,10s,11s,12s)-12-[(2r,4e,6e,8z,10r,12e,14e,16z,18s,19z)-10,18-dihydroxy-12,16,19-trimethyl-11,22-dioxoox acyclodocosa-4,6,8,12,14,16,19-heptaen-2-yl]-2,11-dihydroxy-1,10-dimethyl-9-oxotrideca-3,5,7-trien-1-yl 6-deoxy-2,4-di-o-methyl-beta-l-galactopyranoside
+[H]/N=C(/N)\NCC(=O)N([C@@H](CCC(=O)N)C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)C2=CNC(=O)NC2=O)O)O)O	PUM	(1s)-1,4-anhydro-5-[(n-carbamimidoylglycyl-n~2~-hydroxy-l-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-d-ribitol
+CC(C)CC(C)(C)CC(C)(C)CC(C)(C)C	PUN	2,2,4,4,6,6,8-heptamethylnonane
+C1[C@@H]([C@@H]([C@H](O1)CO)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O)O)O	PUP	(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-({[(s)-hydroxy{[(2r,3s,4s)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}phosphoryl]oxy}methyl)tetrahydrofuran-3-yl dihydrogen phosphate
+c1cc(ccc1C2C(=Cc3c(cc(cc3O2)O)O)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O	PUQ	pelargonidin 3-o-beta-d-glucoside
+c1c2c(ncn1)n(c[nH+]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	PUR	purine riboside
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CONC(=O)N)C(=O)O)O	PUS	(e)-o-(carbamoylamino)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-serine
+C(CCN)CN	PUT	1,4-diaminobutane
+C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(c(c3)F)C(=O)O)CC(=O)Nc4nccs4	PUV	2-fluoro-4-{[(1r)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
+C(CCNC(=O)CP(=O)(O)O)CN	PUW	n-(phosphonoacetyl)-putrescine
+CCCCn1c(nc2c1nc(nc2N)F)Cc3ccc4c(c3)OCO4	PUX	8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9h-purin-6-ylamine
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O	PUY	puromycin
+COc1ccc(c(c1)Cc2nc3c(nc(nc3n2CCCC#C)F)N)OC	PUZ	8-(2,5-dimethoxy-benzyl)-2-fluoro-9-pent-9h-purin-6-ylamine
+c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O)O	PV0	2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1h-isoindole-4,6-diol
+c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br	PV1	(5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2h-isoindol-2-yl)methanone
+c1ccc2c(c1)CN(C2)S(=O)(=O)c3ccc(cc3O)O	PV2	4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol
+CCCc1ccc(c(c1)O)Oc2ccccc2	PV4	2-phenoxy-5-propyl-phenol
+Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(cc(c5c4CCO5)C#N)F	PV5	5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
+C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(cc3)C(=O)O)CC(=O)Nc4nccs4	PV7	4-{[(1r)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
+c1cc2c(cc1O)CN(C2)S(=O)(=O)c3ccc(cc3O)O	PV8	4-[(5-hydroxy-1,3-dihydro-2h-isoindol-2-yl)sulfonyl]benzene-1,3-diol
+CC(C)[C@H](N)P(=O)(O)O	PVA	1-amino-2-methyl-propylphosphonic acid
+CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O	PVB	purvalanol b
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@H](/C(=C(\C(=O)O)/O)/O)O)O	PVC	(2e,4r,5s)-2,3,4,5-tetrahydroxy-6-(palmitoyloxy)hex-2-enoic acid
+c1c2cc(c(cc2[n+]3c(c1NC(=O)CCC(=O)O)NCC[C@H]3C(=O)O)O)O	PVE	(1s)-1-carboxy-5-[(3-carboxypropanoyl)amino]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium
+CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	PVG	phycoviolobilin, green light-absorbing form
+COC(=O)[C@H](Cc1c[nH]c[nH+]1)N	PVH	histidine-methyl-ester
+C[C@]1(c2cc(c(cc2CCN1)OC[C@@H]3CCCCO3)Oc4ccc(c(c4)F)C(=O)O)CC(=O)Nc5nccs5	PVJ	2-fluoro-4-{[(1r)-1-methyl-6-{[(2s)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
+C1C2=C(CO1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	PVK	(s)-1-(2'-amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1h,3h)-dione
+CC(=O)C=O	PVL	pyruvoyl group
+CC1=CC(=NN(C1=O)c2ccc(cc2)OC)c3cn(nn3)CCOc4cc5c(cc4Oc6ccc(c(c6)F)C(=O)O)[C@@](NCC5)(C)CC(=O)Nc7nccs7	PVM	2-fluoro-4-{[(1r)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1h-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
+CCC1=C(C(=O)N[C@@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	PVN	phycoviolobilin
+CC(C(=O)O)(O)O	PVO	2,2-bis(oxidanyl)propanoic acid
+Cc1c(c(nc(n1)c2ccccn2)N3CCN(CC3)CCO)Cl	PVP	2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol
+C1C2=C(CN1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	PVQ	(s)-1-[2'-amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1h,3h)-dione
+C=CS(=O)(=O)c1ccccc1	PVS	(ethenylsulfonyl)benzene
+c1cc(cnc1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F	PVT	5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
+C[C@]1(c2cc(c(cc2CCN1)OC)OC)CC(=O)Nc3nccs3	PVV	2-[(1r)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-n-(1,3-thiazol-2-yl)acetamide
+COCCN1c2c([nH]cn2)C(=O)NC1=S	PVW	3-(2-methoxyethyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one
+COc1cc2c(c3c1C4=C(C(=O)C=C4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O	PVX	n-(2-amino-5-{formyl[(6as,8r,9r,9ar)-9-hydroxy-4-methoxy-1,11-dioxo-1,6a,8,9,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosylamine
+CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+](C)C)C=C3Oc4c2ccc(c4)N(C)C)C(=O)O	PVY	9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-n,n-dimethyl-3h-xanthen-3-iminium
+CCCCCCCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O	PVZ	[1-hydroxy-2-(1-nonyl-1h-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
+c1ccc(cc1)Oc2c(ccc(c2F)C[NH3+])F	PW1	[2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium
+COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)NCC(=O)O)O	PW2	2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
+CC(=O)N1CCNC(=O)C1	PW3	4-acetyl-piperazin-2-one
+Cc1cc(nc(c1Br)C)NC(=O)CCC(=O)O	PW5	4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid
+c1cnc(nc1C(F)(F)F)N	PW7	4-(trifluoromethyl)pyrimidin-2-amine
+c1cc2cnc(cc2c(c1)Br)NC(=O)CCC(=O)O	PW8	4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid
+c1cc2c(cc1F)N=CNC2=O	PWA	7-fluoroquinazolin-4(3h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)S)O[C@H]([C@@H]5F)n6cnc7c6ncnc7[NH3+])O)F)[NH3+]	PWB	3',3'-c-[2'fdamp-2'fdam(ps)]
+c1c[nH]c2c1cc(cn2)F	PWD	5-fluoro-1h-pyrrolo[2,3-b]pyridine
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O	PWE	(2r)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1s,2s,3s,4s,5s,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate
+COc1cc(ccc1O)/C=C/C(=O)OCCc2ccccc2	PWF	2-phenylethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
+c1cc(c2nnc(n2c1)C(F)F)C(F)(F)F	PWG	3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine
+CC(=CCOC(=O)/C=C/c1ccc(c(c1)O)O)C	PWH	3-methylbut-2-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
+c1cn2cc(c(c(c2n1)Cl)C#N)C(F)(F)F	PWJ	8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile
+C[C@H](Cc1ccc(c(c1)OC)O)[C@H](C)Cc2ccc(c(c2)OC)O	PWK	4,4'-[(2r,3r)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol)
+c1cc2c(c(c1)F)C(=O)NC=N2	PWM	5-fluoroquinazolin-4(3h)-one
+c1ccc(c(c1)/C=N/NC(=O)CCC=O)C(=O)O	PWN	2-[(~{e})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid
+c1cc2c(cc1F)C(=O)NC=N2	PWP	6-fluoroquinazolin-4(3h)-one
+c1cc(ccc1/C=N/NC(=O)CCC=O)C(=O)O	PWQ	4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid
+CN1C(=O)C=C(N=C1SC)C(F)(F)F	PWS	3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3h)-one
+c1ccc(c(c1)CNNC(=O)CCCC=O)C(=O)O	PWT	2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid
+Cc1ncc(n1C)c2ccc(cc2)Nc3cc4c(cc(n4C(=O)OC(C)C)c5cnn(c5)C)cn3	PWU	isopropyl 6-((4-(1,2-dimethyl-1h-imidazol-5-yl)phenyl)amino)-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate
+C[C@@H](C1=Cc2cc(ccc2NC1=O)Cl)NC3=CC=C(N(C3=O)C)C#N	PWV	5-{[(1s)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
+c1cc(ccc1/C=N/NC(=O)CCCC=O)C(=O)O	PWW	4-[[(~{e})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid
+COc1ccc2cc(ccc2c1)CC(=O)O	PWY	(6-methoxynaphthalen-2-yl)acetic acid
+CCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@H]([C@@H]1C/C=C/CCCC(=O)O)OC2)O	PWZ	(5e)-7-{(1r,4s,5s,6r)-5-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid
+[H]/N=C/1\C(=CO)C2=Nc3c(cc(c(c3OC2=C(C1=O)C)C)N)C=O	PX1	(1z)-7-amino-1-(hydroxymethylene)-2-imino-4,6-dimethyl-3-oxo-2,3-dihydro-1h-phenoxazine-9-carbaldehyde
+CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCC	PX2	1,2-dilauroyl-sn-glycero-3-phosphate
+COc1ccc(cc1)CNC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4	PX3	5-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	PX4	1,2-dimyristoyl-sn-glycero-3-phosphocholine
+c1ccc2c(c1)nc(s2)C3(C=CC(=O)C=C3)O	PX5	4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCC	PX6	1,2-dipalmitoyl-sn-glycero-3-phosphate
+CN1c2ccccc2S(=O)(=O)NC1=O	PX7	4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC	PX8	1,2-distearoyl-sn-glycero-3-phosphate
+CCCCOc1ccc(cc1)OCCCN2CCOCC2	PX9	pramocaine
+Cc1cnc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O	PXA	2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-3-oxo(8-aza)phenoxazine
+CCC(=O)NS(=O)(=O)c1ccc(cc1)c2c(onc2c3ccccc3)C	PXB	parecoxib
+c1cc(c2c(c1)nc3c(cccc3n2)C(=O)O)C(=O)O	PXC	phenazine-1,6-dicarboxylic acid
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c3c(cccc3OCC(F)F)C(F)(F)F)OC	PXD	2-(2,2-difluoroethoxy)-n-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
+CC1=CC(=O)C(=CC1=NO)C(C)C	PXE	2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime
+Cc1cc(c(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O)F	PXF	2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-8-fluoro-3-oxophenoxazine
+Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O	PXG	3-[o-phosphonopyridoxyl]--amino-benzoic acid
+CC1([C@@H](N[C@H](S1)[C@H](C=O)[C@@H](CCc2cccs2)O)C(=O)O)C	PXH	(2~{r},4~{s})-5,5-dimethyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid
+CC[C@@H]1[C@@H](\C=C\C(=O)[C@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]2[C@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C	PXI	4-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-12-ethyl-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione
+c1cc(c(c(c1)O)O)C(=O)NCCCCCCNC(=O)c2cccc(c2O)O	PXJ	n,n'-hexane-1,4-diylbis(2,3-dihydroxybenzamide)
+CC(C)(C)C#CCc1c[nH]c2c1scn2	PXK	6-(4,4-dimethylpent-2-ynyl)-4~{h}-pyrrolo[2,3-d][1,3]thiazole
+Cc1c(c(c(cn1)CO)C=O)O	PXL	3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde
+Cc1c(c(c(cn1)CO)CN)O	PXM	4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
+C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O	PXN	(2s)-1-[3-{[(2r)-2-hydroxypropyl]oxy}-2,2-bis({[(2r)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol
+CC\C=N/O	PXO	(1z)-propanal oxime
+Cc1c(c(c(cn1)COP(=O)(O)O)CO)O	PXP	pyridoxine-5'-phosphate
+CC[C@@H]1[C@H](C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	PXQ	3-[5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCC	PXS	(2s)-propane-1,2-diyl dihexadecanoate
+C[C@@H]/1C[C@]2(CC[C@@H](O2)[C@]34CC[C@](O3)(CC(O4)[C@@H]5C(=O)C[C@@](O5)([C@H]([C@@H]6CC[C@]7(O6)CCC[C@H](O7)[C@H](C(=O)O[C@@H]8C[C@H](O[C@@H]8\C=C\C(=C1)\C)[C@@]9(C(=C(CCO9)C)O)O)C)O)C)C)C	PXT	pectenotoxin-2
+C1C[C@](NC1)(C(=O)O)O	PXU	2-hydroxy-l-proline
+CC(=O)Nc1cc2cccnc2c3c1cccn3	PXX	n-1,10-phenanthrolin-5-ylacetamide
+Cc1ccc(cc1)C	PXY	para-xylene
+Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O	PXZ	2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-phenoxazin-3-one
+C[C@@H]([C@@](N)(O)[O-])O	PY0	(1s,2s)-1-amino-1,2-dihydroxypropan-1-olate
+c1ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4	PY1	4-(3-pyridin-2-yl-1h-pyrazol-4-yl)quinoline
+c1cc(cnc1)CS	PY2	3-(mercaptomethylene)pyridine
+CC[C@@H](C)NC(=O)c1cc(cc(c1)N)C2=CN=C(C(=O)N2CC(=O)NCc3ccc(cc3C(=O)Nc4ccncc4)C(=N)N)NC(C)C	PY3	5-[amino(imino)methyl]-2-[({[6-[3-amino-5-({[(1r)-1-methylpropyl]amino}carbonyl)phenyl]-3-(isopropylamino)-2-oxopyrazin-1(2h)-yl]acetyl}amino)methyl]-n-pyridin-4-ylbenzamide
+CC[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	PY4	2-[o-phosphonopyridoxyl]-amino- butyric acid
+CCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	PY5	2-[o-phosphonopyridoxyl]-amino-pentanoic acid
+CCCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	PY6	2-[o-phosphonopyridoxyl]-amino-hexanoic acid
+c1cnccc1CO	PY7	pyridin-4-ylmethanol
+c1cc2cc(c1)S(=O)(=O)NCCCNc3c(cnc(n3)N2)Br	PY8	6-bromo-13-thia-2,4,8,12,19-pentaazatricyclo[12.3.1.1~3,7~]nonadeca-1(18),3(19),4,6,14,16-hexaene 13,13-dioxide
+Cc1ccccc1[C@H]2CCCN2C(=O)c3ccc(cc3O)O	PY9	4-{[(2r)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
+c1cc2ccc3ccc(nc3c2nc1)C[C@@H](C(=O)O)N	PYA	3-(1,10-phenanthrol-2-yl)-l-alanine
+Cn1cc(cc1C(=O)O)N	PYB	4-amino-(1-methylpyrrole)-2-carboxylic acid
+c1cc([nH]c1)C(=O)[O-]	PYC	pyrrole-2-carboxylate
+Cc1cnc(nc1N)C	PYD	2,5-dimethyl-pyrimidin-4-ylamine
+C1CCOCC1	PYE	tetrahydropyran
+c1cc(cnc1)CO	PYF	3-pyridinylcarbinol
+c1cc(c(c(c1)O)O)O	PYG	benzene-1,2,3-triol
+C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N	PYH	n~6~-{[(2r,3r)-3-methyl-3,4-dihydro-2h-pyrrol-2-yl]carbonyl}-l-lysine
+Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)OP(=O)(O)O	PYI	1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridinium
+CCc1ccccc1	PYJ	phenylethane
+C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N	PYL	pyrrolysine
+CC(=O)C(=O)N	PYM	pyruvamide
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCC4)NC(=O)CCN5CCCC5	PYN	3-pyrrolidin-1-yl-n-[6-(3-pyrrolidin-1-yl-propionylamino)-acridin-3-yl]-propionamide
+C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	PYO	1-(beta-d-ribofuranosyl)-pyrimidin-2-one-5'-phosphate
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O	PYP	2'-deoxyribofuranosylpyrene-5'-monophosphate
+c1cc2c3c(c1)CCN3C(=O)CC2	PYQ	pyroquilon
+CC(=O)C(=O)O	PYR	pyruvic acid
+c1ccnc(c1)S	PYS	2-pyridinethiol
+C=C(C(=O)N)N	PYT	2-aminoprop-2-enamide
+c1ccn(c1)C(=O)c2c(cc(cc2O)O)O	PYU	2-(1h-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol
+c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3	PYV	4-bromo-n-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
+CC/C(=C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C	PYW	pyridomycin
+Cc1c(c(c(cn1)CSSC[C@@H](C(=O)O)N)CN)O	PYX	s-[s-thiopyridoxaminyl]cysteine
+c1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	PYY	d-ribofuranosyl-benzene-5'-monophosphate
+c1c(cn[nH]1)I	PYZ	4-iodopyrazole
+COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COC4=CC5C(=CC=CN5CCCO)C=C4	PZ1	(6r)-6-({[1-(3-hydroxypropyl)-1,7-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one
+Cc1cc(cc(c1)Oc2ccc(cc2Br)Cc3c4ccnnc4[nH]n3)C#N	PZ2	3-[2-bromo-4-(1h-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile
+Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)OC(=O)NCc7ccccc7	PZ3	4-({(3r)-7-(5-formylfuran-2-yl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate
+CNc1c(cnc(n1)c2c[nH]c3c2cncn3)F	PZ4	5-fluoro-n-methyl-2-(7h-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine
+C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N	PZ5	5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine
+Cc1cc(c(n1c2cccc(c2)Cl)C)C(=O)O	PZ8	1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
+c1cnc(cn1)C(=O)N	PZA	pyrazine-2-carboxamide
+c1ccc(cc1)Oc2c[nH]nc2c3ccc(cc3O)O	PZB	4-(4-phenoxy-1h-pyrazol-3-yl)benzene-1,3-diol
+CC(=O)N[C@@H]1CC=C(O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)NC(=O)[C@H](CCN)O)N)CNCCO	PZC	(2s)-n-[(1r,2s,3s,4r,5s)-4-{[(2s,3r)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2h-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide
+COc1cc2c(cc1OC)NC[C@@H]3CC(=CN3C2=O)c4ccc5ccccc5c4	PZD	(11as)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
+C1CNCCN1	PZE	piperazine
+COc1ccc(cn1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F	PZF	(3r,4s)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
+Cc1c(c[nH]n1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	PZG	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{h}-pyrazol-4-yl)phosphinic acid
+c1cc(ccc1CN)Br	PZH	1-(4-bromophenyl)methanamine
+C1CC(=O)N(C1)CC(=O)N	PZI	2-(2-oxopyrrolidin-1-yl)acetamide
+c1ccc(c(c1)N2CCN(CC2)[C@H]3CS(=O)(=O)C[C@@H]3O)Cl	PZJ	(3r,4r)-4-[4-(2-chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
+c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)C#N	PZK	4-azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
+c1cc(c(c(c1Cc2c3ccnnc3[nH]n2)F)Oc4cc(cc(c4)Cl)C#N)Br	PZL	3-[6-bromo-2-fluoro-3-(1h-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile
+COc1ccc(cc1)CN	PZM	1-(4-methoxyphenyl)methanamine
+CCCCCC[N@](C)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)N1C=C(N=C(C1=O)NCc2c(non2)C)C(C)(C)C	PZN	3-(2-{5-tert-butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2h-pyrazin-1-yl}-butyrylamino)-5-(hexyl-methyl-amino)-4-oxo-pentanoic acid anion
+c1c[nH]nc1	PZO	pyrazole
+[H]/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	PZP	[5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate
+c1ccc2c(c1)CCN3[C@H]2CN(CC3=O)C(=O)C4CCCCC4	PZQ	praziquantel
+c1cncc2c1[nH]nc2	PZR	1h-pyrazolo[4,3-c]pyridine
+CCCC/C=C/C1=C(C(=O)[C@@]2(O1)[C@H]([C@@](NC2=O)(C(=O)c3ccccc3)OC)O)C	PZS	(5~{s},8~{s},9~{r})-2-[(~{e})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
+C[C@@H]1[C@H](C[C@H]([C@H](O1)O)O)O	PZU	alpha-d-paratopyranose
+CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F	PZV	1-(2-fluorobenzene-1-carbonyl)-n-methyl-2,3-dihydro-1h-indole-5-sulfonamide
+Cc1cc2c(cc1NC3CNC3)N4[C@@H](C(=O)NN=C4CO2)C	PZW	(1r)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
+Cc1cc(n[nH]1)C(=O)OCc2cccnc2	PZX	pyridin-3-ylmethyl 5-methyl-1h-pyrazole-3-carboxylate
+CC(C)(C)c1ccc(cc1)CN2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCc4ccccc4	PZY	2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid
+CN(C)Cc1c[nH]c2c1cccc2CCCO	PZZ	3-{3-[(dimethylamino)methyl]-1h-indol-7-yl}propan-1-ol
+c1ccc(cc1)C[C@@H](CCN[C@@H](Cc2ccccc2)C(=O)O)N	Q00	n-[(3s)-3-amino-4-phenylbutyl]-l-phenylalanine
+CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4	Q01	2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid
+c1ccc(cc1)[C@H](N)P(=O)(O)O	Q02	[(r)-amino(phenyl)methyl]phosphonic acid
+C1CCC(CC1)[C@H](N)P(=O)(O)O	Q03	[(r)-amino(cyclohexyl)methyl]phosphonic acid
+C1CCC(CC1)C[C@H](N)P(=O)(O)O	Q04	[(1r)-1-amino-2-cyclohexylethyl]phosphonic acid
+Cc1cc(nc(c1)N)COc2cccc(c2)CNCCc3cccc(c3)F	Q05	6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine
+C1CCC(C1)CC[C@H](N)P(=O)(O)O	Q06	[(1r)-1-amino-3-cyclopentylpropyl]phosphonic acid
+CCC[C@H](C)[C@H](N)P(=O)(O)O	Q07	[(1r,2s)-1-amino-2-methylpentyl]phosphonic acid
+CCCC(CCC)[C@H](N)P(=O)(O)O	Q08	[(1r)-1-amino-2-propylpentyl]phosphonic acid
+c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)Cc4ccc(cc4)F	Q0A	2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid
+CCOCCCNC(=O)c1c2c(nc3ccccc3n2)n(c1N)c4ccccc4Cl	Q0B	2-amino-1-(2-chlorophenyl)-n-(3-ethoxypropyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide
+c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3	Q0D	2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid
+c1cc(cnc1)Cn2cc(cn2)c3c(c(ncn3)N)C#N	Q0E	4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile
+c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)c4ccccc4	Q0G	5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid
+c1cc(c(cc1Cn2cc(cn2)c3c(c(ncn3)N)C#N)F)F	Q0H	4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
+Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccncc4	Q0J	2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
+Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N	Q0K	2-amino-5-(p-tolyl)-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+CNC(=O)c1cc(cc(c1O)NS(=O)(=O)c2cc(cc(c2O)Cl)Br)C3(CCC3)C#N	Q0M	3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-n-methylbenzamide
+c1c(cn(n1)CCN2CCOCC2)c3c(c(ncn3)N)C#N	Q0N	4-azanyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CC(=O)c2ccccc2N)C(=O)O)O	Q0P	(2s)-4-(2-aminophenyl)-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid
+C[C@H](c1ccccc1)n2cc(cn2)c3c(c(ncn3)N)C#N	Q0Q	4-azanyl-6-[1-[(1~{r})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
+CS(=O)(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)NS(=O)(=O)c2cc(ccc2O)Br	Q0S	5-bromo-2-hydroxy-n-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide
+CCOC(=O)Cn1cc(cn1)c2c(c(ncn2)N)C#N	Q0T	ethyl 2-[4-(6-azanyl-5-cyano-pyrimidin-4-yl)pyrazol-1-yl]ethanoate
+CCn1cc(cn1)c2c(c(ncn2)N)C#N	Q0W	4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile
+COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)Cl)Br	Q0Y	5-bromo-n-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide
+c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)Cl	Q0Z	5-chloranyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine
+Cc1cc(nc(c1)N)COc2cccc(c2)OCCCN	Q10	6-{[3-(3-aminopropoxy)phenoxy]methyl}-4-methylpyridin-2-amine
+COc1ccccc1c2ccc3c(c2)nc(nc3N)N	Q11	7-(2-methoxyphenyl)quinazoline-2,4-diamine
+Cc1cc2c(cc1c3ccc(c(c3)OC)OC)nc(nc2N)N	Q12	7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
+Cc1cc(nc(c1)N)COC[C@@H]([C@H](C)OCc2cc(cc(n2)N)C)N	Q13	6,6'-{[(2s,3s)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)COCC[C@@H](CN)OCc2cc(cc(n2)N)C	Q14	6-[({(2s)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3	Q15	4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine
+Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C	Q16	6-((((3s, 5r)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
+c1ccc2c(c1)c(nc(n2)c3ccccc3O)NCCCN	Q17	2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol
+c1ccc2c(c1)c(c[nH]2)/C=C\3/C(=O)c4ccc(c(c4O3)CN5CCCCCC5)O	Q18	(2z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1h-indol-3-ylmethylidene)-1-benzofuran-3(2h)-one
+Cc1cc2c(cc1c3cccc(c3)C(=O)C)nc(nc2N)N	Q19	1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone
+CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cccc4c3ccnc4N	Q1A	1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
+c1cc2c(cc1OC(F)(F)F)CC(=O)N2	Q1B	5-(trifluoromethyloxy)-1,3-dihydroindol-2-one
+B(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3[C@@H]4C[C@@H]5[C@H]3CO[C@@H]5OC4)O)CC(C)C)(O)O	Q1D	{4-[{(2r,3s)-3-[({[(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid
+CNC(=O)CCS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2	Q1E	~{n}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide
+c1cc(c(cc1C2(CCC2)C#N)NS(=O)(=O)c3cc(ccc3O)Br)O	Q1G	5-bromo-n-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide
+c1cc(oc1)Cn2c3ccc(cc3nc2N)C(F)(F)F	Q1H	1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine
+COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)c3ccccc3)Br	Q1J	5-bromo-n-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide
+CS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2	Q1K	6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
+COc1ccc(cc1S(=O)(=O)Nc2cc(cc(c2O)C(=O)O)Cl)Br	Q1M	3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid
+[H]/N=C\CNC(=O)[C@H](CS(=O)(=O)N1CCN(CC1)c2ccccn2)NC(=O)Cc3cc(no3)C	Q1N	(2~{r})-~{n}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide
+c1cc(c(cc1Br)S(=O)(=O)Nc2cc(c(c(c2O)C(=O)O)F)C3CC3)O	Q1P	3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid
+c1ccc(cc1)c2ncc3c(n2)CC[C@H](C3)N	Q1Q	(6~{r})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine
+CN1CCN(CC1)c2ccc(cc2Nc3c4ccccc4ccn3)[N+](=O)[O-]	Q1S	n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N	Q1T	3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile
+c1c[n+](c(n1P(=O)(O)O[C@H]2CO[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)N)P(=O)(O)O[C@H]5CO[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N	Q1V	2-amino-3-[(r)-{[(3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(s)-{[(3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1h-imidazol-3-ium
+CC(C)(CC(=O)C(=O)O)C(=O)O	Q1W	2,2-dimethyl-4-oxidanylidene-pentanedioic acid
+c1ccc2c(c1)c([nH]n2)CNC(=O)c3cc(ccc3F)[C@@H]4CCNC[C@H]4COc5ccc6c(c5)OCO6	Q1Y	5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(2h-indazol-3-yl)methyl]benzamide
+C[C@H](CC(=O)O)C(=O)C(=O)O	Q1Z	(3~{r})-3-methyl-2-oxidanylidene-pentanedioic acid
+CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)C=O	Q20	3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde
+C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Oc4cccc5c4cccc5	Q21	(2s)-2-(naphthalen-1-yloxy)-n-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide
+c1cc2c(cc1O)C=CC3=CCC=C[C@@H]3N2Cc4cnc5c(n4)c(nc(n5)N)N	Q22	(4as)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2h-dibenzo[b,f]azepin-8-ol
+c1ccc(cc1)S(=O)(=O)O[C@H]2CS(=O)(=O)C=C2	Q23	(3r)-1,1-dioxido-2,3-dihydrothiophen-3-yl benzenesulfonate
+c1ccc2c(c1)c(nc(n2)N)N	Q24	quinazoline-2,4-diamine
+CCCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl	Q25	6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
+CCOc1ccc(cc1c2ccc3c(c2)nc(nc3N)N)c4cccc(c4)NS(=O)(=O)C	Q26	n-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide
+CCOc1ccc2ccccc2c1c3cc4c(cc3C)c(nc(n4)N)N	Q27	7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine
+Cc1cccc2c1N=C(NC2=O)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5	Q28	4-[3-(8-methyl-4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-n-(quinolin-8-yl)benzamide
+c1cc(cc(c1)S(=O)(=O)F)CN2CCC[C@@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6	Q2A	3-{[(3s)-3-({6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride
+c1cc(cc(c1)S(=O)(=O)F)CN2CCC[C@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6	Q2D	3-{[(3r)-3-({6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride
+CSc1c(c2ccccc2[nH]1)C[C@@H](C=O)N	Q2E	(2~{s})-2-azanyl-3-(2-methylsulfanyl-1~{h}-indol-3-yl)propanal
+CN(c1c(cccn1)/C=N/c2c(cnc(n2)Nc3ccccc3)C(F)(F)F)S(=O)(=O)C	Q2H	~{n}-methyl-~{n}-[3-[(~{e})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide
+c1cc(cc(c1)S(=O)O)CNCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5	Q2J	3-{[(3-{6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid
+c1cc(sc1)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	Q2M	5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine
+c1ccnc(c1)c2csc(n2)NC(=O)Cc3ccc(cc3)F	Q2N	2-(4-fluorophenyl)-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide
+c1cc(cc(c1)Cl)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	Q2P	5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine
+COC(=O)c1ccccc1c2cccc(c2)C(=O)O	Q2R	3-(2-methoxycarbonylphenyl)benzoic acid
+c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cc[nH]3	Q2S	3-(1~{h}-indol-5-yl)benzoic acid
+CCCCOc1cc(cnc1)c2nnc3n2c4cc(ccc4nc3C)CN5CCOCC5	Q2T	1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline
+c1ccc(cc1)C(CCN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)c6ccccc6	Q2V	5'-([(3s)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine
+CC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccc(s1)CNC(=O)c2ccc(cc2)Nc3cnc4ccccc4n3	Q2Y	4-oxo-3-[2-(5-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-thiophen-2-yl)-acetylamino]-pentanoic acid
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCS(=O)(=O)N	Q2Z	carborane ethyl-sulfonamide
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]cn3	Q31	5-[(2s)-2-[[2-(1h-imidazol-4-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid
+c1cc(ccc1CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Cl	Q34	5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine
+CC[C@H](c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC	Q35	2-[4-[5-[(1~{r})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid
+B123B45B167B289B31B823B966B744B622[C@]45C321CCCCCS(=O)(=O)N	Q38	carborane nido-pentyl-sulfonamide
+Cc1nc(c(s1)CCC(=O)N2CCC(CC2)C(=O)N)c3cccs3	Q39	1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide
+Cc1ccc(c(n1)C)c2cnc(n3c2c(nc3)S(=O)(=O)C)NCc4c(ccc5c4CCO5)F	Q3A	8-(2,6-dimethylpyridin-3-yl)-n-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine
+COc1ccc(cc1)NC(=O)Nc2cccc(c2)c3c(n(cn3)C[C@@H]4CCCO4)c5nc6c(ncnc6s5)N	Q3B	1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2s)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea
+c1ccc2c(c1)cc(cn2)C(=O)O	Q3C	quinoline-3-carboxylic acid
+CS(=O)(=O)c1c2c(cnc(n2cn1)NCc3c(ccc4c3CCO4)F)c5ccc(nc5)C6CC6	Q3D	8-(6-cyclopropylpyridin-3-yl)-n-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCS(=O)(=O)N	Q3E	carborane propyl-sulfonamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC	Q3G	o-[(r)-[(2s)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl]-d-serine
+B123B45B167B289B31B823B966B744B622C45C321CCCCCCS(=O)(=O)N	Q3H	carborane nido-hexyl-sulfonamide
+[B-]1(c2cc(ccc2C=C3[N+]1=C(N(C3=O)C)C)N(CC)CC)(F)F	Q3J	12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCCS(=O)(=O)N	Q3K	carborane closo-hexyl-sulfonamide
+CC(=O)N[C@H]1[C@H](C[C@@H]([C@@H]([C@@H]1O)O)CO)SC	Q3M	methyl 2-(acetylamino)-2-deoxy-1-thio-alpha-d-galactopyranose
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCS(=O)(=O)N	Q3N	carborane closo-pentyl-sulfonamide
+C(CCNC(=O)CN)C[C@@H](C(=O)O)N	Q3P	n~6~-glycyl-l-lysine
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCS(=O)(=O)N	Q3Q	carborane closo-butyl-sulfonamide
+C[C@@H]([C@H](C(=O)O)N)N	Q3S	(2r,3s)-2,3-diaminobutanoic acid
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CS(=O)(=O)N	Q3T	carborane methyl-sulfonamide
+B123B45B167B289B31B823B966B744B622C45C321CCCCS(=O)(=O)N	Q3W	carborane nido-butyl-sulfonamide
+c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)N4CC[C@H]([C@@H](C4)O)C(=O)O)F)C5CC5	Q3Y	(3s,4r)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1h-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid
+Cc1cc(ccc1c2cc(cc3c2CCN(C3=O)Cc4cc(cc(c4)OC)OC)C[N]5=C(N(C=C5)C)N)F	Q41	7-[(2-azanyl-3-methyl-imidazol-1-yl)methyl]-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoranyl-2-methyl-phenyl)-3,4-dihydroisoquinolin-1-one
+C1CC[C@H]2[C@H](C1)C[C@H](N2)C(=O)O	Q42	(2s,3ar,7as)-2,3,3a,4,5,6,7,7a-octahydro-1h-indole-2-carboxylic acid
+CC(=O)NC1=NC(=O)c2c([nH]cn2)N1	Q44	n-(6-oxo-6,9-dihydro-3h-purin-2-yl)acetamide
+S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25	Q46	fe4 h s5
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)Br)O)O	Q47	3-bromo dicyclotyrosine
+C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC	Q4A	n-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
+B123B45B167B289B31B823B966B744B622[C@@]45C321CCCCCS(=O)(=O)N	Q4B	carborane nido-pentyl-sulfonamide
+CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OCCN7CC(C7)(F)F	Q4D	(4s,7ar,9ar,10s,11e,18r)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-n-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide
+CC(C)(C)c1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl	Q4E	3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one
+c1cc(cc(c1)C(=O)O)c2cccc(c2)F	Q4G	3-(3-fluorophenyl)benzoic acid
+c1c(c(ncn1)N)C#N	Q4H	4-azanylpyrimidine-5-carbonitrile
+CC(C)COc1cc(nc2c1cccc2NC(=O)NCCCCOc3cccc(c3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C(=O)Nc5cccc6c5nc(cc6O)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)Nc9cccc1c9nc(cc1OCC(=O)O)C(=O)O	Q4I	8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid
+Cc1cc(n[nH]1)Nc2cc(nc(n2)C3CCC(CC3)(C(=O)N[C@@H](C)c4ccc(nc4)n5cc(cn5)F)OC)C	Q4J	pralsetinib
+CCOC(=O)[C@H]([C@@H](c1ccc(cn1)Br)O)F	Q4K	ethyl (2~{s},3~{r})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate
+COc1ccc2c(c1)cc([nH]2)C(=O)N3C[C@H](c4c3ccc5c4cc[nH]5)CCl	Q4M	[(1s)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2h)-yl](5-methoxy-1h-indol-2-yl)methanone
+c1cc2c(cc1F)cc([nH]2)C(=O)N3C[C@H](c4c3ccc5c4cco5)CCl	Q4P	[(8s)-8-(chloromethyl)-7,8-dihydro-6h-furo[3,2-e]indol-6-yl](5-fluoro-1h-indol-2-yl)methanone
+CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C	Q4Q	n-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide
+CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OC	Q4S	(4s,7ar,9ar,10s,11e,18r)-6'-chloro-n-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide
+c1cc(c(c(c1)C(=O)Nc2ccc(cc2CC(=O)O)F)F)c3cc(c(cc3F)Cl)O[C@@H]4CCCNC4	Q4T	2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{r})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid
+CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)O)O)O	Q4V	(4s,7ar,9ar,10s,11e,18r)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid
+CC(C)C1NC(=CS1)CN2C=Nc3ccc(cc3C2=O)Cl	Q4W	6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
+CN1C/C=C/CCCC[N@@]2C[C@@]3(CCCc4c3ccc(c4)Cl)COc5c2cc(cc5)[C@](CC1=O)(C(=O)O)O	Q4Y	(4s,11e,17r)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'h,3h,5h,7h-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid
+CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)COS(=O)(=O)[O-])O)O	Q4Z	[(3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N	Q50	{(1s)-1-benzyl-4-[3-carbamoyl-1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-(s)-propylcarbamoyl]-2-oxo-5-phenyl-pentyl}-carbamic acid tert-butyl ester
+C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)[C@@H]1C)O	Q51	(4s,7ar,9ar,10s,11e,14s,15r)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione
+COc1ccc2c(n1)c(ccn2)CCN3CCC(CC3)NCc4ccc(cc4)Cl	Q52	~{n}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
+c1cc2c(cc1C(=O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5	Q54	(3s)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2h,2'h-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid
+C[C@]1(CNc2c1cc(cc2C#N)c3ccnc(n3)Nc4cccnc4OC)CO	Q55	4s/3694
+c1cc2c(cc1[C@H](C(=O)O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5	Q57	(2r)-[(3s)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2h,2'h-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid
+C[C@@]1(CNc2c1cc(cn2)c3ccnc(n3)Nc4ccc(cc4OC)C(=O)NC5CCOCC5)CO	Q58	desf-3r/4076
+Cc1csc(n1)NC(=O)C2CCN(CC2)C(=O)N(C)Cc3ccc(cc3)F	Q5A	n~1~-[(4-fluorophenyl)methyl]-n~1~-methyl-n~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@@](CC(=O)O)(C(=O)O)O)O	Q5B	(3s)-citryl-coenzyme a
+c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N	Q5D	4-cyano-n-cyclopropyl-n-[(thiophen-2-yl)methyl]benzamide
+C(CCC(=O)O)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	Q5E	1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione
+Cc1cc(ccc1OCCNC(=O)c2cccs2)Cl	Q5F	n-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide
+c1ccc2c(c1)N(C[C@@H](O2)C(=O)N)C(=O)CSCCC(=O)O	Q5G	3-({2-[(2r)-2-carbamoyl-2,3-dihydro-4h-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid
+Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3)CN	Q5J	4-(aminomethyl)-n-(3-cyano-4-methyl-1h-indol-7-yl)benzene-1-sulfonamide
+c1ccc2c(c1)cccc2C(=O)CCC(=O)O	Q5M	4-(naphthalen-1-yl)-4-oxobutanoic acid
+CC(=O)NC[C@@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)OCn4cc(nn4)CNC(=O)[C@H](CCCCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O	Q5N	bcv-l6
+Cc1ccc2c(c1)c3c([nH]2)c(cc(c3Br)Br)O	Q5Q	3,6-dibromo-1-(hydroxymethyl)carbazole
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)C	Q5S	2-(acetylamino)-2-deoxy-1-o-[(s)-hydroxy{[(s)-hydroxy{[(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy}phosphoryl]oxy}phosphoryl]-alpha-d-glucopyranose
+CC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)CCS(=O)(=O)C)C(C)(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1[C@@H]2[C@H](C=S1)NC(=O)N2	Q5T	(4~{s})-4-[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{s},4~{r},6~{a}~{r})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{h}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide
+COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2c3ccccc3c(cn2)N(CC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC	Q5V	n-[(4-methoxyphenyl)sulfonyl]-n-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine
+C/C(=C/c1ccc2cc(ccc2c1)C#C)/C(=O)OC	Q5W	methyl (~{z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate
+COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC	Q5Y	n-[(4-methoxyphenyl)sulfonyl]-n-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine
+Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCNCC4	Q5Z	4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[V](=O)(O4)[O])N=C(NC2=O)N	Q61	guanosine-5'-monophosphate-2',3'-vanadate
+C#CCNC(=O)[C@H](CCCCNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O	Q62	~{n}-[(5~{s})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-6-(prop-2-ynylamino)hexyl]-2,3-bis(oxidanyl)benzamide
+CC(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N	Q64	(2z)-2-benzylidene-3-oxo-n-(4-sulfamoylphenyl)butanamide
+B1(n2c(cc(c2C(C3=C(C[C@H](N31)C)C)CCCCc4cn(nn4)C[C@@H]5[C@H]([C@@H]([C@H]([C@H]6[C@@H]5O6)O)O)O)C)C)(F)F	Q65	(1~{s},2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[4-[4-[(12~{r})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
+C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Nc4cccc(c4Cl)Cl	Q67	n~2~-(2,3-dichlorophenyl)-n-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]-l-alaninamide
+CCCCCCN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1Cn2cc(nn2)CNC(=O)C)O)O)O	Q68	~{n}-[[1-[[(1~{s},2~{r},3~{r},4~{s},6~{s})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide
+CC(=O)/C(=C/c1ccc(cc1)OC)/C(=O)Nc2ccc(cc2)S(=O)(=O)N	Q6A	(2z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-n-(4-sulfamoylphenyl)butanamide
+C[C@H]1C/C(=C\C[C@@H](OC(=O)CCC[C@@H]1OC(=O)/C=C/C(=C/C(=C/C=C/C(=C/[C@@H]([C@H](C[C@H](C)O)O)O)/C)/C)/C)[C@@H](C)C/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O)O)/C)/C	Q6B	[(6~{s},7~{s},9~{z},12~{r})-12-[(~{z},2~{s},6~{r},7~{r},9~{r})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{e},4~{e},6~{e},8~{e},10~{e},12~{s},13~{s},15~{s})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate
+CC(=O)/C(=C/c1cccs1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N	Q6D	(2z)-3-oxo-n-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide
+CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc2cc(c(cn2)Cl)c3cnn4c3CC(C4)(C)C	Q6E	(1~{s},3~{r})-3-acetamido-~{n}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide
+CS(=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl	Q6F	n-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide
+CC(C)(COc1cc(c2c(cnn2c1)C#N)c3ccc(nc3)N4C[C@H]5C[C@@H](C4)N5Cc6ccc(nc6)OC)O	Q6G	selpercatinib
+c1cc(cc(c1)NC(=O)c2cc(ccc2[SeH])F)C(=O)N3CCOCC3	Q6H	5-fluoranyl-~{n}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@H]3CCC(=O)C4	Q6J	5alpha-dihydronandrolone
+CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc(n2)c3cn(c4c3cccc4)C	Q6K	~{n}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
+CC(CCCCCNCCCN)(O)O	Q6M	7-[(3-aminopropyl)amino]heptane-2,2-diol
+CC(C)c1cc(ccc1n2c(cc(n2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)c6c(cccc6OC)OC)C(=O)N(C)CCCN(C)C	Q6N	2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid
+COCC(CCCCCNCCCN)(O)O	Q6P	7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol
+COc1cccc(c1c2cc(nn2c3ccnc4c3ccc(c4)Cl)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O)OC	Q6Q	2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid
+[H]/N=C/1\N(C=CN1Cc2cc(cc(c2)C(=O)NCc3cc(cc(c3)OC)OC)c4ccc(cc4C)F)C	Q6S	n-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2e)-2-imino-3-methyl-2,3-dihydro-1h-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide
+c1cc(c2c(c1)OCO2)C(=O)O	Q6T	1,3-benzodioxole-4-carboxylic acid
+c1ccnc(c1)CNC(=O)CCc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6	Q6W	3-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-n-(pyridin-2-ylmethyl)propanamide
+Cc1c(cn2ccnc2c1CN3CCN([C@H](C3)C)C(=O)C4CCCC4)NC(=O)c5cnc(nc5)C	Q6Y	~{n}-[8-[[(3~{s})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide
+C[C@H]1CCC[C@H]([C@@H]1O)O	Q6Z	(1r,2r,3s)-3-methylcyclohexane-1,2-diol
+c1cc2c(cc1F)S(=O)(=O)NC(=O)N2	Q71	7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)/C(=N\[H])/N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)/N	Q72	(s)-4-(4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carbonyl)piperidine-1-carboximidamide
+c1cc2c(cn(c2nc1)CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F	Q74	2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1h-pyrrolo[2,3-b]pyridin-1-yl)acetic acid
+c1c(scn1)C[C@@H](C=O)N	Q75	2-amino-3-(thiazol-5-yl)propanoic acid
+Cc1cc(c2c(c1)S(=O)(=O)NC(=O)N2)C	Q77	5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione
+c1cscc1C[C@@H](C(=O)O)N	Q78	l-3-thienylalanine
+c1cc2c(c(c1)Cl)NC(=O)NS2(=O)=O	Q7A	5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione
+Cc1ccc(cc1)C[C@]2(C[C@H]2c3ccccc3)C(=O)O	Q7B	(1~{s},2~{s})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1	Q7G	2-{[(4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25r)-spirost-5-en-3-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranoside
+CN1CCCN(C(=O)COc2cc(ccc2O[C@H]3CCOC=C3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7H	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H](CCO)O)O	Q7J	1,4-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
+CN1CCCN(C(=O)COc2cc(ccc2OC3CCOCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7K	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+c1ccc2c(c1)nc3c(c(n(c3n2)c4ccc(cc4)NC(=O)Nc5cccc(c5)C(F)(F)F)N)C(=O)N	Q7M	2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide
+COc1cccc(c1)CNC(=O)c2ccccc2[SeH]	Q7N	~{n}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCCO	Q7P	6-[(4-hydroxybutyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
+CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC	Q7Q	6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCO	Q7S	6-[(3-hydroxypropyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)CNC(=O)c2ccccc2[SeH]	Q7T	~{n}-(phenylmethyl)-2-selanyl-benzamide
+Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl	Q7U	1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea
+[B+](CCCCCNCCCN)(O)(O)O	Q7V	5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
+c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)[SeH]	Q7W	~{n}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide
+C(CCC(=O)CS)CCNCCCN	Q7Y	7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one
+CN1CCCN(C(=O)COc2cc(ccc2OCCOC)Nc3c4c(c[nH]c4ncn3)C1)C	Q7Z	6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+c1cc(ccc1CC[C@]2(OC[C@H](O2)CSc3ccc(cn3)C(F)(F)F)Cn4ccnc4)Cl	Q80	2-({[(2r,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H](C[C@@H](CO)O)O	Q81	1,3-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=NC#N)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O	Q82	{[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis(4-hydroxymethyl)methyl]-4,7-bis(phenylmethyl) -2h-1,3-diazepin-2-ylidene]cyanamide}
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCC[C@@H]([C@@H](CO)O)O	Q84	1,2-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
+COc1ccc(cc1)CNC(=O)c2ccccc2[SeH]	Q85	~{n}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide
+c1ccc(cc1)CCC(=O)Cn2cncn2	Q86	4-phenyl-1-(1h-1,2,4-triazol-1-yl)butan-2-one
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O	Q87	1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
+c1nc(c2c(n1)[nH]c(n2)N)N	Q88	9h-purine-6,8-diamine
+c1cc2cccnc2c(c1)N	Q8A	quinolin-8-amine
+CN1CCCN(C(=O)COc2cc(ccc2OCC(=O)NC3CCCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q8B	n-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide  
+c1cc2c(cc1C(=O)O)nnn2C3CCCCC3	Q8D	1-cyclohexyl-1h-benzotriazole-5-carboxylic acid
+COc1ccc(cn1)CNC(=O)c2ccccc2[SeH]	Q8E	~{n}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide
+c1cc2c(cc1C(=O)O)ncn2C3CCCCC3	Q8G	1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
+c1ccc(c(c1)C(=O)NCc2cccnc2)[SeH]	Q8H	~{n}-(pyridin-3-ylmethyl)-2-selanyl-benzamide
+CCN1CCN(CC1)C(=O)Nc2cc(ccn2)c3cn(c4c3ccnc4)C5CCOCC5	Q8J	4-ethyl-n-{4-[1-(oxan-4-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide
+c1cc-2cc(c1)C(=O)NCCN(/C=C/N(c3ccn4c(c2cn4)n3)CCO)C5CC5	Q8K	11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one  
+c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br	Q8M	5-bromo-3-chloro-n-(1-cyclopentyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
+CNC(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	Q8P	4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-n-methyl-1h-imidazole-2-carboxamide
+CN1CCNc2ccn3c(n2)c(cn3)-c4cccc(c4)C(=O)NCC1	Q8Q	11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one 
+Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	Q8S	5-bromo-3-chloro-n-(1-cyclopentyl-2-methyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
+CN1CCN(CC1)c2ccc3cc2OCC(=O)N(CCCN(Cc4c[nH]c5c4c(ncn5)N3)C)C	Q8T	11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
+CCOC(=O)/C(=C(/c1ccccc1)\N)/C#N	Q8V	ethyl (2z)-3-amino-2-cyano-3-phenylprop-2-enoate
+c1cc-2cc(c1)O/C=C/N(CCNc3ccn4c(c2cn4)n3)CCN5CCOCC5	Q8W	10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
+c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cccn3	Q92	3-quinolin-6-ylbenzoic acid
+CC(=O)Nc1nnc(s1)N[C@@H]2CCN(C2)c3nnc(s3)NC(=O)C	Q94	n-{5-[(3r)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCC)/c3ccc(cc3)O	Q97	4,4'-[(1z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol
+c1cc-2cc(c1)C(=O)NCCOCCNc3ccn4c(c2cn4)n3	Q98	11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
+CC(=O)Nc1nnc(s1)N[C@H]2CCN(C2)c3nnc(s3)NC(=O)C	Q9A	n-{5-[(3s)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+c1cc-2cc(c1)C(=O)NCCCCCNc3ccn4c(c2cn4)n3	Q9B	8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
+CC(=O)NCCCCNCCCN	Q9C	n-{4-[(3-aminopropyl)amino]butyl}acetamide
+CC(=O)[C@H](Cc1cccc(c1)[N+](=O)[O-])NC(=O)OCc2ccccc2	Q9D	benzyl [(2s)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@@H](NC2=O)C(=O)N(C)C	Q9E	(5s,8r)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
+Cc1ccc(cc1c2c3c(c4c(n[nH]c4n2)N)CCCC3)F	Q9G	5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-3h-pyrazolo[3,4-c]isoquinolin-1-amine
+c1nc(c2c(n1)n(c(n2)C#CCOC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5NCCN)O)O)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N	Q9H	(2~{r},3~{r},4~{s},5~{r})-2-[6-azanyl-8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
+c1cc2c(cc1c3c(c4n(n3)C[C@@H]5C[C@H](N4)[C@H](C5)O)C(=O)N)ncs2	Q9J	(5s,6s,8r)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN)CC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N	Q9K	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC(C3)Oc4nnc(s4)NC(=O)Cc5ccccc5	Q9M	2-phenyl-n-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CNC(=O)CCCN)O)O)N)O)O)N	Q9N	~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide
+c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl	Q9P	azolopyrimidine
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)SCc2ccc(cc2)OCc3cn(nn3)CCOCCOCCOCCO)O)O)O	Q9Q	4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1h-1,2,3-triazol-4-yl)methoxy)benzyl-a-l-thiofucoside
+C1CN(CCC1Oc2nnc(s2)N)c3nnc(s3)N	Q9S	5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine
+c1c(cc(c(c1c2cc(no2)C(F)(F)F)O)Br)Br	Q9T	2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
+CC(=O)Nc1nnc(s1)N2CCC(CC2)Oc3nnc(s3)NC(=O)C	Q9V	n-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
+CC(C)CCn1c(c(nn1)O)C(=O)NC	Q9Y	~{n}-methyl-3-(3-methylbutyl)-5-oxidanyl-1,2,3-triazole-4-carboxamide
+CC(C)CCN1CC(=O)N=N1	Q9Z	3-(3-methylbutyl)-4~{h}-1,2,3-triazol-5-one
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=Cc5c(cno5)C[C@]34C	QA1	danazol
+C1CC1CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)NC(=O)CC5CC5	QA4	2-cyclopropyl-n-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+CC(C)CC(=O)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	QA7	5'-o-{(s)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine
+CC[C@H](CC(=O)O)C(=O)C(=O)O	QA8	(3~{r})-3-ethyl-2-oxidanylidene-pentanedioic acid
+c1ccc(cc1)CC(=O)Nc2ccc(nn2)N3CCC(CC3)Oc4ccc(nn4)NC(=O)Cc5ccccc5	QAA	2-phenyl-n-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide
+C1CCc2c(c(c(s2)N)C(=O)O)C1	QAB	2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
+c1cc(ccc1CO)C(=O)NCCC(=O)O	QAC	n-[4-(hydroxymethyl)benzoyl]-beta-alanine
+COc1cc2cc(sc2cc1OC)C(=O)CCC(=O)O	QAD	4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
+CCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl	QAE	6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
+CCCCC#Cc1ccc[n+](c1)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	QAF	{2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate)
+Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)Nc4ccc(c(c4)F)C#N)C)/C=C/C#N	QAG	4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile
+[H]/N=C(\CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)/[C@H](C=C)O	QAH	[(2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(3~{s})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate
+c1cc(cnc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5cccnc5	QAJ	2-(pyridin-3-yl)-n-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide
+C[C@H](CCCC[C@@H](C)CCC[C@H](C)/C=C/C[C@H](C)/C=C/CC(C)C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)(C)O	QAK	(6~{r},10~{s},14~{r},19~{r},23~{s},24~{e},27~{s},28~{e})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol
+c1ccc(cc1)CC(=O)Nc2nnc(s2)OC3CCN(CC3)c4nnc(s4)N	QAM	n-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
+CC1=Cc2c(cnc(c2NC1=O)N[C@@H]3CCN(C[C@H]3C(=O)NC4CCCCC4)C)c5ccco5	QAN	(3~{r},4~{r})-~{n}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{h}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide
+c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O	QAP	2-phenylethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
+c1ccc2c(c1)nc(n2c3ncnc(n3)NCC#N)Nc4cccc(c4)O	QAQ	[(4-{2-[(3-hydroxyphenyl)amino]-1h-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile
+Cc1nc(nc(n1)n2c3ccccc3nc2Nc4cc[nH]n4)N	QAR	1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-n-(1h-pyrazol-3-yl)-1h-benzimidazol-2-amine
+c1cc(nc(c1C(=O)O)C(=O)O)S	QAS	 6-mercaptopyridine-2,3-dicarboxylic acid
+C1C(=S)C=NC(=C1C(=O)O)C(=O)O	QAT	5-mercaptopyridine-2,3-dicarboxylic acid
+COc1cc2c(cc1CCCc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O	QAV	4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid)
+c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN	QAY	8-[4-(2-azanylethyl)pyrazol-1-yl]-3h-pyrido[3,4-d]pyrimidin-4-one
+CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3C(=O)NC4CCCCC4	QAZ	(3r,4r)-n-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide
+COc1cc2cc(sc2cc1OCCCOc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)C(=O)CCC(=O)O	QB1	4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F	QB4	(10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile
+CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[nH]cn3	QB5	n-(2-(1h-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
+COc1cc2cc(sc2cc1OCCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)C(=O)CCC(=O)O	QB7	4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid
+CC(=O)Nc1ccc2ccn(c2c1)c3cc(n4c(n3)c(cn4)C#N)NC5CC5	QB8	~{n}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide
+COc1cc2cc(sc2cc1OCCCOc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O)C(=O)CCC(=O)O	QBA	4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid)
+c1cc(ccc1C(=O)Nc2ccc3c(c2)CNCC3)F	QBB	4-fluoro-n-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
+COc1cc(c2cc(sc2c1)C(=O)CCC(=O)O)CCCc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O	QBD	4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
+CCC(=O)Nc1cc(ccc1C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	QBE	~{n}-[5-[[3-cyano-7-(cyclopropylamino)-3~{h}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide
+COc1cc2c(cc1OCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)cc(s2)C(=O)CCC(=O)O	QBG	4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid
+CCCN1[C@H](COC1=O)Cc2cc(ccc2O)C[C@@H]3CS(=O)(=O)C[C@@H]([C@H]3O)NCc4cccc(c4)C(C)C	QBH	(4s)-4-(2-hydroxy-5-{[(3s,4s,5r)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2h-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one
+COc1cc2c(cc1/C=C\COc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O	QBJ	4-{5-[(1z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid
+C12=NC(=O)SC1=NC(=NC2=O)N	QBK	5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione
+CCCSc1nc(c(nn1)C)O	QBM	6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol
+CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccccc3	QBN	2-[4-[(~{z})-1,2-diphenylbut-1-enyl]phenoxy]-~{n}-methyl-ethanamine
+c1cc(ccc1c2[nH]nnn2)C(F)(F)F	QBP	5-[4-(trifluoromethyl)phenyl]-1h-tetrazole
+c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	QBQ	7-deaza-gtp
+CC(=O)[C@@H](C#N)c1ccc(cc1)Cl	QBS	(2r)-2-(4-chlorophenyl)-3-oxobutanenitrile
+C[C@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	QBT	[(2r,3s,5r)-3-hydroxy-5-[(5s)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
+c1cc(c(cc1/C=C/C(=O)O)Br)O	QBV	(2e)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid
+c1ccc(cc1)CNCCc2ccc(c(c2)O)O	QBW	4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol
+CCSc1c2cc(ccc2ncc1C(=O)N3CCOCC3)OCc4ccccc4	QBY	6-(benzyloxy)-4-(ethylsulfanyl)-3-[(morpholin-4-yl)
+C[C@](Cn1ccnn1)([C@H](C(=O)O)/N=C/CC(=O)O)[S-](=O)=O	QBZ	(2~{s},3~{s})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{e})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid
+Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccoc5	QC0	n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]furan-3-carboxamide
+c1cc(ccc1CNc2cnccc2C(=O)O)F	QC1	3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid
+c1cc(cc(c1)O)c2ccnn2c3cc(ccn3)C(=O)O	QC2	2-[5-(3-hydroxyphenyl)-1h-pyrazol-1-yl]pyridine-4-carboxylic acid
+C[C@H]([C@@H](C1=N/C(=C\c2cc(c(c(c2F)F)O)F)/C(=O)N1CC(=O)O)N)O	QC4	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CN(C)CCn1cc(c(n1)n2cccc2)c3ccc(cc3)F	QC5	2-(4-(4-fluorophenyl)-5-(1h-pyrrol-1-yl)-1h-pyrazol-1-yl)-n,n-dimethylethanamine
+C[C@H]1[C@H]2[C@H](CC[C@]1(C)[C@H](C)[C@H](C)CCC(=O)C)[C@]3(CC[C@H](C[C@H]3C[C@H]2O)O)C	QC7	(5r,6r)-6-[(1s,2r,4as,4bs,7r,8as,10r,10as)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one
+CNC(=O)c1cc(cc2c1O[C@@H]([C@H]2c3ccccc3)CF)C(=O)NC4[C@H]5[C@@H]4COC5	QC8	(2~{s},3~{s})-2-(fluoranylmethyl)-~{n}7-methyl-~{n}5-[(1~{r},5~{s})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)N(=O)=O)O)/C(=O)N1CC(=O)O)N)O	QCA	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C[C@H]([C@@H](C(=O)O)NC(=O)CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	QCB	(2~{s},3~{r})-2-[2-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)OC)O)/C(=O)N1CC(=O)O)N)O	QCD	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl }acetic acid
+CC1=CN(C(=O)N(C1=O)CC(=O)NC)[C@H]2C[C@@H]([C@H](O2)COP(O)O)O	QCE	n3-(n-(1-amino-4-methyl-1-oxopentan-2-yl)-2-amino-2-oxo-ethyl)-2'-deoxythymidine
+Cc1c(cc(c2c1CCCO2)F)c3c(c(nc4n3nc(c4)c5ccccc5)C)[C@@H](C(=O)O)OC(C)(C)C	QCG	(2s)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2h-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
+CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	QCH	(2s)-6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC1=CN(C(=O)N(C1=O)Cc2cnn[nH]2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	QCK	(4-methyltriazole)-thymidine-5'-monophosphate
+CCC(CC)COc1cc(nc2c1cccc2N)C=O	QCL	8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde
+CCN(CC)Cc1ccc2cc(ccc2c1)COC(=O)Nc3ccc(cc3)C(=O)NO	QCM	givinostat
+CC(C)(C)c1cc(ccc1O)C[C@@H](C=O)N	QCN	(2~{s})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal
+CC(C)[C@@H](c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO	QCP	ar-42
+c1ccc(cc1)CNc2c3c(nc(n2)Cl)n(cn3)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)F	QCQ	[[(2~{r},3~{r},4~{s},5~{r})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+C([C@@H](C(=O)O)N)SC(=O)N	QCS	s-carbamoyl-l-cysteine
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O	QCT	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside
+C=Nc1ccc(cc1)N(=O)=O	QCV	n-(4-nitrophenyl)methanimine
+CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2	QCW	~{n}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide
+C[n+]1c2ccccc2sc1/C=C/c3ccc(c(c3)/C=C/c4[n+](c5ccccc5s4)C)O	QCY	2,2'-{(4-hydroxy-1,3-phenylene)di[(e)ethene-2,1-diyl]}bis(3-methyl-1,3-benzothiazol-3-ium)
+CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3	QCZ	~{n}5-cyclopropyl-~{n}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC)O	QD0	(2s,4r)-n-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CNS(=O)(=O)c1cc(cnc1OC)N2CCOc3c2cc(cc3)C(=O)NC4CCN(CC4)C	QD2	4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{n}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
+CNC(=O)C1=CC(=CN(C1=O)Cc2cccc3c2cc[nH]3)C(=O)NC4CC4	QD5	~{n}5-cyclopropyl-1-(1~{h}-indol-4-ylmethyl)-~{n}3-methyl-2-oxidanylidene-pyridine-3,5-dicarboxamide
+CP(=O)(CCCN)O	QD7	(r)-(3-aminopropyl)methylphosphinic acid
+CSc1nc(c(c(n1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3	QDA	n~4~,n~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine
+c1cc2c(cc(nc2c(c1)N)C=O)CC(=O)O	QDD	2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid
+CN(C)Cc1ccc2c(c1)N(CCO2)c3cc(c(nc3)OC)NS(=O)(=O)C	QDE	~{n}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide
+CC[C@H](C)N1C(=O)N(C=N1)c2ccc(c(c2)Br)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl	QDG	4-(3-bromo-4-{4-[4-({(2r,4s)-2-(2,4-dichlorophenyl)-2-[(1h-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2s)-butan-2-yl]-2,4-dihydro-3h-1,2,4-triazol-3-one
+C[C@@H](c1ccccc1F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl	QDH	[[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-[[(1~{s})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3cccc4c3cccc4)C(=O)NCc5cccnc5	QDJ	tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+C([C@@H]([C@@H](C(=O)CO)O)O)O	QDK	l-ribulose
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N(C)C)O	QDM	tdp-3,6-dideoxy-3-n,n-dimethylglucose
+COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O	QDN	quinidine
+c1ccc2c(c1)[n+](c(c([n+]2[O-])CBr)CBr)[O-]	QDO	2,3-bis(bromomethyl)quinoxaline 1,4-dioxide
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3cccc4c3cccc4)C(=O)/N=C/Cc5cccnc5	QDP	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2s)-3-(naphthalen-1-yl)-1-oxo-1-{(e)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O)NC(=O)c7cccc(c7O)O	QDQ	~{n}-[2-[[(2~{s})-3-[[(2~{s})-3-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide
+Cc1cccc2c1N=C(NC2=O)CSc3[nH]nc(n3)N	QDR	2-{[(3-amino-1h-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3h)-one
+c1ccc2c(c1)ncc(n2)C(=O)N[C@H](CO)C(=O)O	QDS	n-(quinoxalin-2-ylcarbonyl)-d-serine
+CC(C)COC(=O)C1(CC1)c2nc3c(ccc(n3n2)c4ccc5c(c4)COC5=O)OC	QDT	2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{h}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCc4cccnc4	QDV	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1	QDW	methoxymethyloxathiatetraazatetracyclodocosahexaenedione
+CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4	QDY	tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)CN(C)C	QDZ	~{n},~{n}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{h}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
+c1cc(c(cc1F)C(=O)O)NS(=O)(=O)c2ccc3c(c2)CCCC3	QE2	5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCc4cccnc4	QE4	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+Cc1ccc(cc1C)S(=O)(=O)Nc2ccc(cc2C(=O)O)F	QE5	2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid
+C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC[C@H]2[C@@H](C[C@H]([C@H]([C@@H]2O)O)O)O)O)O)O)CO	QE8	(1~{r},2~{r},3~{r},4~{s},5~{r})-4-[[(1~{s},2~{s},3~{s},4~{r},5~{r})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol
+CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4	QEA	tert-butyl [(2r)-1-(1h-indol-3-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+O12[Re]3O4[Re]1O5[Re]2O3[Re]45	QEB	[re4(mu3-oh)4(co)12]
+c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCNC(=O)C3=CC=CC(=O)N3O	QED	n,n'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide)
+CC(C)(C)OC(=O)c1ccc(nc1)n2c(c(cn2)n3ccnn3)O	QEE	~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N	QEG	n~2~-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-l-glutaminyl-l-alpha-glutamine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O	QEH	(7r)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide
+c1c(c2c([nH]1)N=C(NC2=O)N)CN[C@H]3C=C[C@@H]([C@@H]3O)O	QEI	2-amino-5-({[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C1C[C@H](NC1)C#N	QEJ	(2s)-pyrrolidine-2-carbonitrile
+Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(c(c2)Cl)CNC(=O)c3c4ccccc4[nH]n3	QEK	2-[[3-chloranyl-4-[(1~{h}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid
+C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3	QEL	4-[(1r,2s)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
+C[C@@H](CN1CCC(CC1)Cc2ccccc2)[C@H](c3ccc(cc3)O)O	QEM	4-[(1r,2s)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
+c1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3C(=O)O)Br	QEN	5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CSC[C@@H](C(=O)NCc3cccnc3)Nc4ccccc4	QEP	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
+c1cn(nn1)c2cnn(c2O)c3cc(ncn3)N4CCOCC4	QEQ	2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol
+CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)CSC[C@H](C(=O)NCc3cccnc3)Nc4ccccc4	QES	tert-butyl [(2r)-1-(1h-indol-3-yl)-3-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
+CS(=O)(=O)c1ccc(c(c1)C(=O)N2Cc3cc(c(cc3C2)F)OC4CCOCC4)OCC(C(F)(F)F)(F)F	QET	[5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone
+Cc1c(ncn1c2cccc(c2F)Cl)C(=O)N[C@H]3CCC[C@H](C(=O)Nc4cc(ccc4-c5ccnc3c5)NC(=O)OC)C	QEV	methyl [(3r,7s)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1h-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
+C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)c4cnn(c4N)c5cccc(c5F)Cl	QEY	methyl [(3r,7s)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1h-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
+c1cc2c(cc1S(=O)(=O)Nc3ccc(cc3C(=O)O)Br)CCCC2	QEZ	5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid
+CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	QF1	5-bromo-3-chloro-n-[1-cyclopentyl-2-(methylsulfonyl)-1h-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide
+COc1cc(cc2c1OCO2)CN(CC3=CC(=O)NC(=O)N3)C4CC4	QF2	6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{h}-pyrimidine-2,4-dione
+c1ccc(cc1)COC(=O)N[C@@H](Cc2cccc(c2)N=[S@](=O)(N3CCC(CC3)C(=O)N)F)C#N	QF4	benzyl [(1s)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)N[C@@H]5CCNC5	QF8	~{n},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{r})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
+Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)N[C@@H]5CCOC[C@@H]5N)C(=O)NC	QFB	7-[[4-[4-[[(3~{r},4~{r})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{n},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)OCO)O	QFD	(3s,6s)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
+Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)N[C@@H]6CCOC[C@@H]6N	QFE	(3~{r},4~{r})-~{n}4-[1-[2-(1-methylindol-4-yl)-3~{h}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
+[H]/N=C(\CCC(=O)N)/C1=N/C(=C/c2ccccc2)/C(=O)N1CC(=O)O	QFG	{(4e)-2-[(1e)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C[C@@H]([C@@](C)(C(=O)O)O)O	QFH	(2s,3s)-2,3-dihydroxy-2-methylbutanoic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(O)O)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	QFI	({4-[(2s,3r)-2-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}butyl]phenoxy}methyl)phosphonic acid
+CCC(=O)SCC[N+](C)(C)C	QFJ	propionylthiocholine
+Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)CN(C)C)C(=O)NC	QFK	7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{n},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
+c1ccc(c(c1)CSC2=NCCN2)Cl	QFM	2-((2-chlorobenzyl)thio)-4,5-dihydro-1h-imidazole
+Cc1c2c(n(n1)C3CC3)C(=O)N([C@@H]2c4ccc(cc4)Cl)C5=CN(C(=O)C(=C5)C)C	QFN	(4~{r})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{h}-pyrrolo[3,4-c]pyrazol-6-one
+B(c1ccccc1)(O)OCCO	QFP	2-hydroxyethyl hydrogen phenylboronate
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)N[C@@H]5CCCNC5	QFQ	~{n},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{r})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
+B(c1cccc(c1)OC)(O)OCCO	QFS	2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate
+c1cc(c(cc1N(=O)=O)O)F	QFT	2-fluoranyl-5-nitro-phenol
+Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)cccc2NS(=O)(=O)c6ccccc6Cl	QFV	2-chloro-n-(6-methyl-5-{[3-(2-{[(3s)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide
+CCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(c(c3)O)C(=O)O	QFW	2-oxidanyl-4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid
+c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	QFY	{n-(2-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
+c1(c(c(c(c(c1F)F)F)F)F)O	QFZ	2,3,4,5,6-pentakis(fluoranyl)phenol
+c1ccnc(c1)C[N+]2(Cc3cccc[n+]3[Fe]2)CCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5	QG1	{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-n-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)pentanamide}iron(2+)
+CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O	QG2	(2~{s},3~{s},4~{r},5~{r},6~{s})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+c1cc[n+]2c(c1)C[N+]3([Fe]2([n+]4ccccc4C3)N=[N+]=N)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	QG4	{n-(2-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappan~1~)iron(4+)
+c1ccnc(c1)CN(CCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)Cc4ccccn4	QG7	n-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccccc6)NC(=O)OC	QG8	methyl ((s)-1-(2-([1,1'-biphenyl]-4-ylmethyl)-2-(3-((3s,4s)-3-benzyl-4-hydroxy-1-((1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)-2-oxopyrrolidin-3-yl)propyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
+CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC	QG9	methyl ((s)-1-(2-(3-((3s,4s)-3-benzyl-4-hydroxy-1-((1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)-2-oxopyrrolidin-3-yl)propyl)-2-(4-(pyridin-4-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
+C1CCC(CC1)CCC(=O)N(CCO)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O	QGA	1-[(3-cyclohexylpropanoyl)(2-hydroxyethyl)amino]-1-deoxy-d-allitol
+C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N	QGB	5-(4-((2s,5s)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4h-1,2,4-triazol-3-amine
+CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC	QGD	o-{(r)-hydroxy[(2r)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-l-serine
+CCCc1cc2c(cc1OC(=O)C)OC=C(C2=O)c3nc(cs3)C	QGE	[3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate
+C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CC1)OCc2ccc(cc2Cl)Cl)N(C=O)O)c3ncc(cn3)F	QGF	n-[(2s,4s)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-n-hydroxyformamide
+c1cc2c(cc1S(=O)(=O)N3CCC[C@@H]3C(=O)O)c(ncc2Cl)N=C(N)N	QGG	1-({4-chloro-1-[(diaminomethylidene)amino]isoquinolin-7-yl}sulfonyl)-d-proline
+C[C@@H]1c2c(c3ccccc3[nH]2)CCN1	QGH	(1~{r})-1-methyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+c1ccc(cc1)CCCNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@H]([C@H](O3)COP(=O)(O)O)O	QGJ	1-(2-deoxy-5-o-phosphono-beta-d-threo-pentofuranosyl)-2,4-dioxo-n-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
+C[C@H]1c2c(c3ccccc3[nH]2)CCN1	QGK	(1~{s})-1-methyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+c1ccc(cc1)NC(=O)N[C@H]2C[C@@H](Nc3c2c(cc(c3)Cl)Cl)C(=O)O	QGM	(2r,4s)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
+Cc1c(nnc2c1c(n[nH]2)N)C	QGN	4,5-dimethyl-1~{h}-pyrazolo[3,4-c]pyridazin-3-amine
+c1cc(c(cc1Cl)Cl)c2cc(c(c(c2)CP(=O)(O)O)O)C[C@@H](C(=O)O)N	QGP	(2s)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid
+Cc1cc(ncn1)SCc2c(noc2C)C	QGQ	3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole
+CC(C)c1cc(cc(c1)[C@@H](Cn2ccc3c2c(ccc3)C(=O)O)O)c4ccc5c(c4)[C@@H](CO5)N	QGS	1-[(2s)-2-{3-[(3s)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1h-indole-7-carboxylic acid
+Cc1c2cc(cnc2n(n1)c3ccccn3)C(=O)c4ccccc4O	QGV	(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1h-pyrazolo[3,4-b]pyridin-5-yl]methanone
+CCCc1cc2c(cc1OC(=O)C)OC(=C(C2=O)c3nc(cs3)C)C	QGW	[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate
+c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QGZ	5-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid
+CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)C(=O)C)c5cncnc5)F	QH1	n-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1h-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide
+c1ccc(cc1)[C@H]2C[C@@H]2c3c(cnn3c4cccc(c4)N(CC(=O)O)S(=O)(=O)c5ccccc5)C(=O)O	QH2	1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid
+[H]/N=C(\N)/SCc1ccc(c(c1)Cl)Cl	QH3	3,4-dichlorobenzyl carbamimidothioate
+CCC(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6	QH4	{(2s)-4-[2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile
+c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)c4n[nH]nn4)C5CC5	QH5	~{n}-[3-[5-cyclopropyl-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide
+CCCCc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QH8	1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=C)F)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC	QHA	(3r,3as,4r,6ar)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+COc1cccc2c1[nH]nn2	QHB	7-methoxy-1~{h}-benzotriazole
+CCC(=O)N[C@@H]1CCCc2c1cncc2c3ccc(c(c3)F)Cl	QHC	n-[(8r)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@](C[C@](CC(=O)O)(C(=O)O)O)(O)OP(=O)(O)O)O	QHD	(2~{r})-2-[(2~{r})-2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{r},4~{s},5~{s})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid
+CCc1nnc2n1c(cs2)c3ccccc3	QHE	3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
+Cc1c(c(on1)C)CCC2CCN(CC2)S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(cn3)F)N(C=O)O	QHF	n-[(2s,4s)-1-({4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-n-hydroxyformamide
+CC(C)CN1CCc2cc(ccc2[C@H]1c3ccc(cc3)/C=C/C(=O)O)O	QHG	(e)-3-[4-[(1r)-6-hydroxy-2-isobutyl-3,4-dihydro-1h-isoquinolin-1-yl]phenyl]prop-2-enoic acid
+CCCC[C@H]1CCCN1C(=O)[C@H]2CCC[C@H](C2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5	QHH	1-[3-[(1~{r},3~{s})-3-[(2~{s})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CS(=O)(=O)CC6CCCCC6)C(=O)O	QHJ	(r)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
+c1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QHK	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid
+c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N	QHL	delta-[ru(tap2-dppz-cn]2+
+CCN(CC)CCNc1ccc(c2c1C(=O)c3ccccc3S2)CO	QHM	hycanthone
+c1ccc(cc1)n2c(c(cn2)C(=O)O)C3CC3	QHN	5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC45CC6CC(C4)CC(C6)C5)C(=O)O	QHP	(r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3r,5r,7r)-adamantan-1-ylmethyl)sulfonyl)propanoic acid
+COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QHQ	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC4CCCCC4)C(=O)O	QHS	(r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
+Cc1cc(c(c(c1C)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C	QHT	5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3cccc(c3)c4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	QHV	(r)-3-(benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid 
+Cc1cc(c(c(c1C)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C	QHW	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
+CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(=O)O	QHY	1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid
+COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)[C@H]4C[C@@H]4c5ccccc5	QHZ	1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid
+c1cc(ccc1CN(CCCC(=O)NO)Cc2ccc(cc2)Cl)Cl	QI1	4-[bis(4-chlorobenzyl)amino]-n-hydroxybutanamide
+Cc1cc(ccc1F)CCC[N@](C)CC[C@@H](C[C@H](c2ccc(cc2)F)OC)C(=O)NO	QI2	(2s,4r)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-n-hydroxy-4-methoxybutanamide
+c1cc(ccc1O[C@@H]2C[C@H](N(C2)S(=O)(=O)c3ccc(cc3)Cl)C(=O)NO)Cl	QI3	(4r)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-n-hydroxy-l-prolinamide
+COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O	QI9	quinine
+C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O	QIC	(1s,3r,4s,5r)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
+c1ccc(cc1)S(=O)(=O)c2ccc3c(c2)C(=O)N(C(=O)N3)O	QID	3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1h,3h)-dione
+C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O)O	QIF	1-deoxy-7-o-phosphono-alpha-d-gluco-hept-2-ulopyranose
+Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5	QIG	n-1h-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
+CC[C@H](C)[C@@H](C(=O)O)NC=O	QIL	n-formyl-l-isoleucine
+CCCC[C@@H]([C@H](Cc1ccsc1)NC(=O)c2cc(nc(c2)N(C)S(=O)(=O)C)NC[C@H]3C[C@@H]3C)N	QIN	n-[(1s,2s)-2-amino-1-(3-thienylmethyl)hexyl]-2-({[(1s,2s)-2-methylcyclopropyl]methyl}amino)-6-[methyl(methylsulfonyl)amino]isonicotinamide
+CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O	QIU	3-[3-(2-acetamidoethyl)phenyl]benzoic acid
+CC(=O)Nc1nc2cc(ccc2s1)O	QIV	n-(5-oxidanyl-1,3-benzothiazol-2-yl)ethanamide
+[H]/N=C(/N)\NCCC[C@@H](C(=O)NCC(=O)NCC(=O)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)CC(=O)NO	QIX	n~2~-[(2r)-4-(hydroxyamino)-2-(2-naphthylmethyl)-4-oxobutanoyl]-l-arginylglycylglycinamide
+COC(=O)N1CC[C@H](SCC1)c2cccs2	QJ1	methyl (7s)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
+Cc1cc(nc(c1)N)CCCCCc2cc(cc(n2)N)C	QJ2	6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C	QJ4	6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine)
+CCCc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QJ5	5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
+Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F	QJ7	6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)COC[C@@H]2C[C@H](CN2)OCc3cc(cc(n3)N)C	QJ8	6-({[(3r,5s)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine
+CCN1c2ccccc2N(C1=O)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6o5	QJ9	1-{(3s)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2h-benzimidazol-2-one
+CC(=O)N1CC[C@H](SC=C1)c2cccs2	QJA	1-[(7s)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5h)-yl]ethan-1-one
+C[C@H]1[C@H]([C@H]([C@H]2[C@@H](O1)Oc3ccc(cc3S2)CC(=O)NCCCO)O)O	QJB	2-[(2~{s},3~{s},4~{r},4~{a}~{s},10~{a}~{s})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{h}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{n}-(3-oxidanylpropyl)ethanamide
+C(CO)COCCOCCOCCOCCOCCOCCN	QJE	3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
+c1cc(ncc1F)C(=O)N[C@H]2C[C@@H]2[C@]34COC[C@H]3CSC(=N4)N	QJJ	n-{(1s,2s)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide
+c1cc(ncc1F)C(=O)N[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N	QJM	n-{(1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide
+CCCCCCCO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O)O)O)CO)CO	QJN	(1~{r},2~{s},4~{r},5~{s},6~{r})-6-[(2~{s},3~{r},4~{r},5~{s},6~{r})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol
+C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N	QJP	(1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-n-{[(1r,2r)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide
+c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3c4cc(ccc4[nH]c3C(=O)O)F	QJS	5-fluoranyl-3-[[(1~{s},2~{s})-2-phenylcyclopropyl]carbonylamino]-1~{h}-indole-2-carboxylic acid
+CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O	QJT	1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
+CCCCNC(=O)[C@@H]1C[C@H]1[C@]23COC[C@H]2CSC(=N3)N	QJV	(1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-n-butylcyclopropane-1-carboxamide
+c1ccc(c(c1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O)N(=O)=O	QJW	(2~{s},3~{s})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC(C)C	QJY	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+CC(=O)Nc1nc2ccc(cc2s1)c3ccnc(n3)SC	QJZ	n-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide
+CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)Cl)NS(=O)(=O)c4ccc(cc4)F	QK0	n-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC(C)C	QK1	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl {(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+Cc1cc2c(c(c1)F)NC(=O)N2C3CCN(CC3)C4CCOCC4	QK2	7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{h}-benzimidazol-2-one
+Cc1c(c2cccnc2n1CC#N)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6s5	QK5	(3-{(3r)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1h-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile
+C[C@@H]1C[C@H]1COC(C)(C)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5	QK7	(4ar,7ar)-7a-[(1r,2r)-2-(2-{[(1r,2r)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
+CCOC(=O)N1CCC[C@@H](CC1)N2CCC(CC2)C(=O)NC3(CCC3)C	QK8	ethyl (4~{s})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate
+C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5	QKA	(1r,2r)-2-[(4ar,7ar)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4h)-yl]-n-{[(1r,2r)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide
+CCOC(=O)N1CC[C@H](SCC1)c2cccs2	QKD	ethyl (7s)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(o3)Cl)N	QKE	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
+Cc1c2c(ccn1)c3ccc(cc3n2CCCC(=O)N)OC	QKG	4-(7-methoxy-1-methyl-9h-beta-carbolin-9-yl)butanamide
+COC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)OC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6OC)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OC)OC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)OC)CO)CO)CO)CO)CO)CO)OC)O	QKH	methyl-cyclo-hepta-amylose
+CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)CCC(=O)O	QKJ	3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
+[H]/N=C(\N)/NNC(=O)Nc1c(cc(cc1F)S(=O)(=O)Nc2c(ncs2)C(=O)O)F	QKK	5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
+C[C@@H](c1nc(cs1)c2ccc(cc2)C#N)[C@](Cn3cncn3)(c4cc(ccc4F)F)O	QKM	4-{2-[(2r,3r)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1h-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile
+Cc1cc(cc(c1OC[C@@H](CN2CCN(CC2)C)O)C)C3=CC(=O)c4c(cc(cc4OC)OC)O3	QKP	2-{4-[(2r)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4h-1-benzopyran-4-one
+COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4	QKQ	~{n}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
+c1ccc(cc1)NC(=O)OC[C@H](CN2CCCCC2)OC(=O)Nc3ccccc3	QKT	diperodon (s-enantiomer)
+c1cc(cc(c1)c2cccc(c2)C(=O)O)CO	QKU	3-[3-(hydroxymethyl)phenyl]benzoic acid
+c1cc2c(cc1Br)COC3(O2)CCN(CC3)CO	QKV	(6-bromo-1'h,4h-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol
+c1cc(cnc1)C(=O)OCc2ccc(cc2)Cl	QKW	(4-chlorophenyl)methyl pyridine-3-carboxylate
+CN1C(=O)[C@@](N=C1N)(CCC2CCCCC2)c3ccccc3	QKY	(5r)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4h-imidazol-4-one
+c1cnc(nc1)NC(=O)Cc2ccc(cc2)Cl	QKZ	2-(4-chlorophenyl)-~{n}-pyrimidin-2-yl-ethanamide
+CN1C(=O)[C@](N=C1N)(c2ccc(cc2)OC)C34CC5CC(C3)CC(C5)C4	QL1	(5r)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4h-imidazol-4-one
+CCn1cnc2c1nc(nc2Nc3cc(cc(c3)F)F)C#N	QL2	6-[(3,5-difluorophenyl)amino]-9-ethyl-9h-purine-2-carbonitrile
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCC(=O)O)COc2ccccc2)O	QL4	(4s)-4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid
+Cc1ccc(c(c1)OC(=O)c2ccncc2)C	QL5	(2,5-dimethylphenyl) pyridine-4-carboxylate
+CC(C)([C@@H](CN1Cc2cc(c(cc2C1=O)N3CCOCC3)NC(=O)c4cnn5c4nccc5)F)O	QL7	n-{2-[(2r)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1h-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCOCCOCCOCCOCCOCC#Cc4ccc(cc4)OCCCc5c(nc(s5)N6CCc7cccc(c7C6)C(=O)Nc8nc9ccccc9s8)C(=O)O)O	QL8	2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{s})-3,3-dimethyl-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid
+c1ccc2c(c1)C(=O)C(=C(C2=O)O)Nc3ccc(cc3)F	QLA	2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione
+CCCCCCCCOCCOCCOCCO	QLB	2-[2-(2-octoxyethoxy)ethoxy]ethanol
+CCOC(=O)[C@H]1CCCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	QLD	ethyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate
+CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCN(C)C)C)C)C	QLE	[(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-bis(oxidanylidene)-1-oxacyclododec-9-en-4-yl] 3-(dimethylamino)propanoate
+[H]/N=C(/CCC(=O)N)\C1=NC(=CC(C)C)C(=O)N1CC(=O)O	QLG	[(4z)-2-[(1z)-4-amino-4-oxobutanimidoyl]-4-(2-methylpropylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1cc2c(ccc(c2nc1)C#N)N3C[C@H](C[C@H](C3)N)C(F)(F)F	QLH	5-[(3~{r},5~{s})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
+C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1N)C(=O)O	QLI	(5s,6s)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid
+CCOC(=O)[C@H]1CCCC[C@@H](c2cc(ccn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	QLJ	ethyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate
+COC(=O)[C@H]1CCCC[C@@H](c2[nH]c(cn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	QLM	methyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1h-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate
+C#Cc1ccc(cc1)/C=C/C2=Nc3ccccc3C(=O)N2c4cccc(c4)C(=O)O	QLN	3-[2-[(~{e})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)N)C(=O)O)O	QLP	n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-glutamine
+Cc1cc(cc2c1n[nH]c2)C[C@H](C(=O)N[C@@H](CC3CCNCC3)C(=O)N4CCN(CC4)c5ccncc5)NC(=O)N6CCC7(CC6)c8cccnc8NC(=O)O7	QLQ	~{n}-[(2~{r})-3-(7-methyl-2~{h}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{h}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
+CC[C@@H](C#Cc1c(nc(nc1N)N)C)c2cc(c(c(c2)OC)OC)OC	QLR	6-methyl-5-[(3r)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine
+COC(=O)Nc1ccc-2c(c1)N[C@H](CCCC[C@@H](c3[nH]c2cn3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)C(F)(F)F	QLS	methyl [(2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1h-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate
+CC[Sn](CC)(CC)Br	QLT	triethyltin bromide
+COc1c(cc(cn1)NS(=O)(=O)C)/C=C/C2CCC(CC2)(F)F	QLV	n-{5-[(e)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCc3ccccc3	QLW	n,n-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine
+CCCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC	QLZ	5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine
+c1cc(c(nc1)C(=O)O)CC(=O)O	QM1	3-(carboxymethyl)pyridine-2-carboxylic acid
+c1cc(ccc1c2cc3c(s2)c(ncn3)SCC(=O)O)C4CC4	QM2	2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid
+c1cc2c(ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O)cc1CCC(=O)O	QM4	(2s,3r)-1-[7-(2-carboxyethyl)phenanthrene-2-carbonyl]piperazine-2,3-dicarboxylic acid
+COc1ccc(cc1)NNc2ccc(cc2)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O	QM5	(2~{s},3~{s})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid
+C(CCS)C[C@@H](C(=O)O)N	QM8	6-sulfanyl-l-norleucine
+COc1ccc2c(c1)ccc(c2C=O)O	QMA	2-hydroxy-6-methoxynaphthalene-1-carbaldehyde
+C(C[C@@H](C(=O)O)N)CS	QMB	5-mercapto-norvaline
+C=C(C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	QMD	2-[oxidanyl-[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxyprop-2-enoic acid
+c1ccc2c(c1)cc([nH]2)[C@H]3CCCCN3	QME	2-[(2~{r})-piperidin-2-yl]-1~{h}-indole
+Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4	QMG	3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-n-cyclopropyl-4-methylbenzamide
+CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O	QMH	(2~{s})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)Br)Cl	QMI	4-bromo-2,6-dichloro-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+CC(=O)NCCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	QMK	~{n}-[2-[1-[(2~{r},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamide
+CN(C)C(=O)CC[C@@H](C(=O)O)N	QMM	n,n-dimethyl-l-glutamine
+CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(N2)CCCC3=O)c4cccc(c4)Oc5[nH]c6ccccc6n5	QMN	ethyl (9s)-9-[3-(1h-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2h-pyrrolo[3,4-b]quinoline-3-carboxylate
+CP(=O)(O)OC1CCCCC1	QMP	cyclohexyl methylphosphonate
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)Cn4cnc5c4ncnc5N	QMQ	1-(4-(4-(4-((6-amino-9h-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium
+c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4	QMR	varenicline
+CS(=O)(=O)Nc1cccc2c1nccc2	QMS	n-(quinolin-8-yl)methanesulfonamide
+c1ccc(cc1)O[C@@H]2CCCN(C2)c3cc(nnc3N)c4ccccc4O	QMT	2-[6-azanyl-5-[(3~{r})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
+c1cc(c(cc1c2c(n(cn2)CCO)c3ccc4ncc(n4n3)C#N)Cl)F	QMV	6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1h-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
+c1ccc(c(c1)c2cc(c(nn2)N)N3CCC(CC3)O)O	QMW	1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
+Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3	QMY	6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1h-imidazol-5-yl]imidazo[1,2-a]pyridine
+COc1cc(cc(c1OC)OC)C(=O)N2CCC[C@@H](C2)c3ccnc4n3ncn4	QMZ	[(3~{s})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
+c1cc(ccc1CN([C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N)C(F)(F)F	QN1	4,4'-[(3s,4s)-pyrrolidine-3,4-diylbis({[4-(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide
+c1ccc(cc1)S(=O)(=O)N(Cc2ccc(cc2)I)[C@H]3CNC[C@@H]3N(Cc4ccc(cc4)I)S(=O)(=O)c5ccccc5	QN2	n,n'-(3s,4s)-pyrrolidine-3,4-diylbis[n-(4-iodobenzyl)benzenesulfonamide]
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4Cl)S(=O)(=O)c5ccccc5Cl	QN3	n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(n-benzyl-2-chlorobenzenesulfonamide)
+Cc1ccc(cc1S(=O)(=O)N)NC(=O)CN2C(=O)C(=CC=N2)Cl	QN4	2-(5-chloro-6-oxopyridazin-1(6h)-yl)-n-(4-methyl-3-sulfamoylphenyl)acetamide
+Cc1c(c2ccccc2[nH]1)CC(=O)O	QN5	2-(2-methyl-1~{h}-indol-3-yl)ethanoic acid
+COc1cccc(c1F)c2cccc(c2)[C@@]3(C4=NCC(CN4C(=N3)N)(F)F)c5ccncc5	QN7	(8s)-3,3-difluoro-8-(2'-fluoro-3'-methoxybiphenyl-3-yl)-8-pyridin-4-yl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
+C[C@@H]1C(=O)C2CCN1CC2	QN8	(2~{r})-2-methyl-1-azabicyclo[2.2.2]octan-3-one
+[B-]1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)(O)O	QNA	(1~{a}~{r},7~{b}~{s})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{h}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
+c1ccc(cc1)C(c2ccccc2)(C(=O)O[C@H]3CN4CCC3CC4)O	QNB	(3r)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate
+c1ccc2c(c1)ccc(n2)C(=O)O	QNC	quinoline-2-carboxylic acid
+c1ccc2c(c1)ccc(n2)C(=O)O	QND	quinaldic acid
+C[C@@H]1Cc2c(ccc3c2c[nH]n3)[C@H](N1CC4(CC4)F)c5ccc(cc5OC)NC6CN(C6)CCCF	QNE	~{n}-[4-[(6~{s},8~{r})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine
+CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C	QNG	n-[(1s)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1h-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bs,4ar)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1h-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
+CCCN1CC(C1)Nc2ccc(nc2)[C@@H]3c4ccc5c(c4C[C@H](N3CC(F)(F)F)C)cn[nH]5	QNH	6-[(6~{s},8~{r})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{n}-(1-propylazetidin-3-yl)pyridin-3-amine
+c1[nH]c2c(n1)c(ncn2)N3CCCC4(C3)CCNCC4	QNI	6-(2,9-diazaspiro[5.5]undecan-2-yl)-9h-purine
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C	QNJ	(3beta,5beta,14beta,17alpha)-cholestan-3-ol
+C[C@@H]1Cc2c(ccc3c2c[nH]n3)[C@H](N1CC4(CC4)F)c5ccc(cn5)NC6CN(C6)CCCF	QNK	6-[(6~{s},8~{r})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{n}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine
+CC(C)COc1cc(nc2c1cccc2NC(=O)C)C=O	QNL	~{n}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide
+CN1c2ccccc2C(=O)C(=C1O)C(=O)NCC(=O)O	QNM	2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid
+C[C@H]1C(=O)C2CCN1CC2	QNN	(2~{s})-2-methyl-1-azabicyclo[2.2.2]octan-3-one
+CCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O	QNO	2-nonyl-4-hydroxyquinoline n-oxide
+CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC)COP(=O)(O)O	QNP	(2s)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate
+Cc1ccc(c(c1SC[C@@H](C(=O)O)N)O)O	QNQ	4-methylcatechol cysteine
+COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3Cl)NC(=O)c4ccco4	QNS	n-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
+Cc1cc(c(c(c1O)O)C)SC[C@@H](C(=O)O)N	QNT	3,6-dimethylcatechol cysteine
+Cc1ccc(c(c1O)O)SC[C@@H](C(=O)O)N	QNW	3-methylcatechol cysteine
+C[C@H]([C@@H](C(=O)O)N)OC(C[C@@H](C(=O)O)N)(O)O	QNY	o-[(3s)-3-amino-3-carboxy-1,1-dihydroxypropyl]-l-threonine
+c1ccc2c(c1)C(=O)N(C(=N2)/C=C/c3ccc(cc3)C#N)c4cccc(c4)C(=O)O	QNZ	(e)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4h)-yl)benzoic acid
+CS(=O)(=O)NCC#Cc1ccc(cc1)N2[C@@H](C(C2=O)CC[C@@H](c3ccc(cc3)F)O)c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	QO1	4-[(2s,3r)-3-[(3s)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-d-glucopyranosiduronic acid
+Cc1cc(c(c(c1C)SC[C@@H](C(=O)O)N)O)O	QO2	4,5-dimethylcatechol cysteine
+C[C@@H](COCCC(=O)N1CCN(CC1)c2ncc(cn2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F	QO4	5-{[(2s)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2h)-one
+Cc1cc(c(c(c1O)O)SC[C@@H](C(=O)O)N)C	QO5	3,5-dimethylcatechol cysteine
+Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3F)Br)C(=O)NOCCO	QO7	5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-n-(2-hydroxyethoxy)-1-methyl-1h-benzimidazole-6-carboxamide
+Cc1cc(c(c(c1C)O)O)SC[C@@H](C(O)O)N	QO8	3,4-dimethylcatechol cysteine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C	QO9	1-[(5r,6r,8r,9r)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+c1cc(c(cc1I)F)Nc2cnccc2C(=O)NC[C@@H](CO)O	QOA	n-[(2s)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide
+C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCCc2ccccc2)O	QOB	~{n}-[(2~{s},3~{r})-1-[[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide
+CCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCC(C)C)O)O	QOD	(3r)-n-[(2s,3r)-1-(alpha-d-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide
+C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCc2ccccc2)O	QOE	(2~{s},3~{r})-~{n}-[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide
+CC(C)NC(=O)Nc1nnc(s1)S(=O)(=O)N	QOG	5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide
+C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCCCCCCCC(C)C)O	QOH	11-methyl-~{n}-[(2~{s},3~{r})-1-[[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide
+c1ccc2c(c1)C(=C3CCCC3=[N]2CCCCCCCCCC[N]4=C5C=CC=CC5=C(C6=C4CCC6)N)N	QOJ	4-[10-(9-azanyl-2,3-dihydro-1~{h}-cyclopenta[b]quinolin-4-yl)decyl]-2,3-dihydro-1~{h}-cyclopenta[b]quinolin-9-amine
+CN1c2c(n(cn2)COCCOC)C(=O)N(C1=O)C	QOK	7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione
+c1cc2c(cc(nc2c(c1)N)C=O)OCC(CO)CO	QOL	8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde
+CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NC(=O)C)C5CC5	QOM	trametinib
+C[C@H](c1ncc(s1)C(=O)Nc2cc(c(cn2)Cl)C(F)(F)F)NC(=O)c3c(c(ncn3)N)Cl	QOP	6-amino-5-chloro-n-[(1r)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
+Cc1cc(cc(n1)Cl)CN2CCC[C@@H](C2)c3cc(nc4n3ncn4)C(F)F	QOQ	5-[bis(fluoranyl)methyl]-7-[(3~{s})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
+CC1=CNC(=O)C(=N1)C	QOS	3,5-dimethylpyrazin-2(1h)-one
+Cc1nc2c(cccn2n1)NS(=O)(=O)c3cc(ccc3OC)Cl	QOV	5-chloro-2-methoxy-n-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide
+COc1ccc(cc1S(=O)(=O)Nc2cccn3c2ncn3)Cl	QOY	5-chloro-2-methoxy-n-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide
+c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CC(=O)Nc4ccc(cc4)S(=O)(=O)N	QOZ	2-[4-(diphenylmethyl)piperazin-1-yl]-~{n}-(4-sulfamoylphenyl)ethanamide
+CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SCCOC)c4ccc(cc4)F)OC	QP1	n-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1h-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNC(N)(O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	QP2	(4r,5s)-3-{[(3s,5s)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid
+COCCCc1[nH]c(c(n1)c2ccc(cc2)F)c3ccnc4c3CC(=N4)c5ccccc5	QP4	4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1h-imidazol-5-yl]-2-phenyl-3h-pyrrolo[2,3-b]pyridine
+c1ccc(cc1)c2cc3c(ccnc3[nH]2)c4c(nc([nH]4)CCCO)c5ccc(cc5)F	QP7	3-[4-(4-fluorophenyl)-5-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)-1h-imidazol-2-yl]propan-1-ol
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O	QP8	 tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
+C[C@](C(=O)O)(OP(=O)(O)O)SC[C@@H](C(=O)O)N	QPA	s-[(1s)-1-carboxy-1-(phosphonooxy)ethyl]-l-cysteine
+C/C(=C/c1ccc(cc1)O)/C(=O)OC	QPB	methyl (~{z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate
+CC(C)(C)CNC(=O)Cc1ccc(cc1)Nc2c(cnc(n2)c3ccccc3)C(=O)N	QPC	4-[(4-{2-[(2,2-dimethylpropyl)amino]-2-oxoethyl}phenyl)amino]-2-phenylpyrimidine-5-carboxamide
+c1ccc(cc1)[C@H](C(=O)N)NNC(=O)c2c[nH]c3c2cccc3	QPD	(2r)-2-[2-(1h-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide
+C/C(=C/c1ccccc1)/C(=O)OC	QPE	methyl (~{z})-2-methyl-3-phenyl-prop-2-enoate
+c1ccc(cc1)C[C@@H](C(=O)O)NC=O	QPH	n-formyl-l-phenylalanine
+C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)OP(=O)(O)O	QPJ	2-deoxy-3,5-di-o-phosphono-d-erythro-pentitol
+c1cc(c(c(c1F)O)F)Cl	QPK	3-chloranyl-2,6-bis(fluoranyl)phenol
+CC1(CC(CC(N1[O-])(C)C)N)C	QPM	4-amino-2,2,6,6-tetramethylpiperidin-1-ol
+CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1	QPN	1-[1-(3-fluorophenyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
+Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)c4ccccc4	QPP	n-(5-methyl-1h-pyrazol-3-yl)-2-phenylquinazolin-4-amine
+CC(=O)c1cn(c2c1cccc2)C	QPR	1-(1-methylindol-3-yl)ethanone
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO	QPS	beta-acarbose
+C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+]	QPT	carboplatin
+CC1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC[C@@H]([C@H]3O)O)CO)C)O	QPU	1,5-anhydro-4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s,6r)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-d-glucopyranosyl)-d-glucitol
+CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl	QPV	3-chloro-n-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide
+CCCN(C[C@@H]1CCOC1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl	QPW	2-[(3-chlorophenyl)methylamino]-7-methoxy-~{n}-[[(3~{s})-oxolan-3-yl]methyl]-~{n}-propyl-1,3-benzoxazole-5-carboxamide
+c1ccc(cc1)COC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)NCCn4cnc5c4ncnc5N	QPY	benzyl (2s)-2-(4-{[2-(6-amino-9h-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate
+CC1=CC(=O)N(c2c1cc(cc2)S(=O)(=O)NCc3ccccc3)C	QPZ	1,4-dimethyl-2-oxidanylidene-~{n}-(phenylmethyl)quinoline-6-sulfonamide
+c1ccc(cc1)c2c(n(cn2)CC3CCCCC3)c4nc5c(ncnc5s4)N	QQ1	2-[3-(cyclohexylmethyl)-5-phenyl-imidazol-4-yl]-[1,3]thiazolo[4,5-e]pyrimidin-7-amine
+Cc1ccc(c(c1)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O)Cl	QQ2	[(2-chloro-5-methylphenyl){6-[(4-{[(2r)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile
+CCC[C@H](CC(=O)O)N1C(=O)c2c(nc3ccccc3c2C1=O)C	QQ3	(3r)-3-(4-methyl-1,3-dioxo-1,3-dihydro-2h-pyrrolo[3,4-c]quinolin-2-yl)hexanoic acid
+C[C@H](C[C@@H](C[C@H](C[C@@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O	QQ4	hexa vinylpyrrolidone k15
+C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl	QQ5	[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{r},4~{r})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone
+C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O	QQ7	cucurbit[7]uril
+C(CC(=O)N)[C@@H](CNC=O)N	QQ8	(4~{s})-4-azanyl-5-formamido-pentanamide
+CN1CCN(C(=O)C1)c2ccc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(c(n4)N)[N+](=O)[OH-]	QQA	1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one
+c1ccc2c(c1)cccc2C[C@@H](CNC=O)N	QQB	~{n}-[(2~{s})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide
+CC1(c2ccccc2N([C@@H]1c3cccnc3)Cc4ccc(cc4)C(=O)NO)C	QQD	4-{[(2s)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1h-indol-1-yl]methyl}-n-hydroxybenzamide
+C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl	QQE	[2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{s})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
+CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4c1cccc4	QQG	n-hydroxy-4-[(1-methyl-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide
+Cc1cccc(c1C)CC2=CC(=O)N3[C@@H](CSC3=C2[NH+](C)C)C(=O)O	QQH	[(3~{r})-3-carboxy-7-[(2,3-dimethylphenyl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
+CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC	QQJ	n-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1h-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
+CC[C@@H]1CO[C@@](CN1C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl)(C)CCO	QQK	[2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{r})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
+CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)CCCO)c4ccc(cc4)F)OC	QQM	n-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1h-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
+C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)nc(o3)NCc4cccc(c4)Cl	QQN	[2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{r},4~{r})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone
+c1ccc(c(c1)C2=NC(=C(C(=O)N2)O)C(=O)NCCn3cnc4c3ncnc4N)C(F)(F)F	QQP	n-[2-(6-amino-9h-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide
+CC(C)n1c2ccccc2nc1S(=O)(=O)O	QQQ	1-(1-methylethyl)-1h-benzimidazole-2-sulfonic acid
+C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](CF)c4cccc(c4)Cl	QQT	[2-[[(1~{s})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{s})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
+[H]/N=C/CNC(=O)[C@@H]1C[C@H](C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3	QQV	(1r,2r,4r)-n-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide
+C[C@@H]1CN([C@@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl	QQW	[2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{r},5~{r})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N	QQX	[(3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=O)(O4)S)N	QQY	[(3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2-oxidanylidene-2-sulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
+B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)OP(=O)(O)O	QQZ	phosphonooxy-[[[6-(1~{h}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid
+[B-](CCC[C@H]1[C@@H]2C[NH2+]C[C@@H]2C[C@]1(C(=O)O)[NH3+])(O)(O)O	QR1	{3-[(3ar,4s,5s,6ar)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-)
+c1cc(c(cc1C2=NNC(=O)O2)C(F)(F)F)Cl	QR2	5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{h}-1,3,4-oxadiazol-2-one
+[B-](CCC[C@H]1C[C@@H]2[C@H]([C@]1(C(=O)O)[NH3+])CC[NH2+]2)(O)(O)O	QR4	{3-[(3ar,4r,5s,6ar)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-)
+C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C	QR8	(3~{r},4~{s},5~{r},6~{s},7~{s},9~{s},11~{r},12~{s},13~{r},14~{r})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione
+[B-](CCC[C@H]1C[C@@]2(CCCN2)C[C@]1(C(=O)O)N)(O)(O)O	QRA	3-[(5~{s},7~{s},8~{s})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+c1cc(ccc1CN2CCCc3c2ccc(c3)C(=O)N)C(=O)NO	QRB	1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{h}-quinoline-6-carboxamide
+c1cc(c(cc1NC(=S)NCCCCCC(=O)O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O	QRE	2-[3,6-bis(oxidanyl)-9~{h}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid
+CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)O	QRG	n-acetyl-l-alpha-aspartyl-l-methionine
+c1ccc(cc1)P(CCCCCCNC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)(c4ccccc4)c5ccccc5	QRH	(2~{e},4~{e})-5-(1,3-benzodioxol-5-yl)-~{n}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide
+[B-](CCC[C@H]1C[C@@]2(CC[NH2+]C2)C[C@]1(C(=O)O)[NH3+])(O)(O)O	QRJ	{3-[(5r,7s,8s)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-)
+CCCCCC(=O)SC	QRL	s-methyl hexanethioate
+C1CC(=CC(=C1)N)C(=O)O	QRM	3-aminocyclohexa-1,3-diene-1-carboxylic acid
+COc1ccc(cc1O)CCc2nc3ccccc3s2	QRN	5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol
+c1cc(c(cc1CCC2=C(NC(=O)NC2=O)C(=O)O)F)F	QRO	5-[2-(3,4-difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3	QRP	(3s,8as)-3-(1h-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
+COc1cc(cc(c1OC)OC)CCc2nc3ccccc3s2	QRQ	2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N	QRT	[(2~{r},3~{s},4~{r},5~{r})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc(cc1)N(CC[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F)CCO	QRV	2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1h-purin-7-ium
+Cn1c(nnc1c2ccncc2)CNc3cccc(c3)C(=O)NCc4ccccc4C(F)(F)F	QRW	3-({[4-methyl-5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)-n-[2-(trifluoromethyl)benzyl]benzamide
+CCCn1c(nnc1c2ccncn2)CNc3cccc(c3)C(=O)NCc4c(cccc4F)F	QRX	n-(2,6-difluorobenzyl)-3-({[4-propyl-5-(pyrimidin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)benzamide
+c1ccc(cc1)[C@H](C(=O)c2c[nH]c3c2cccc3)NCCc4ccc(cc4)S(=O)(=O)N	QRY	4-(2-{[(1r)-2-(1h-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=S)N	QRZ	[(2~{r},3~{s},4~{r},5~{r})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+C[C@H](CN[C@H](c1ccccc1)C(=O)Nc2ccc(cn2)c3cnn(c3)C)c4ccc(cc4)C#N	QS1	(2r)-2-{[(2s)-2-(4-cyanophenyl)propyl]amino}-n-[5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
+Cc1ccc(c(c1C)C)/C=C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)CCC(C)(C)OC)\C)/C	QS2	9-cis-okenone
+Cc1c(c2ccccc2[nH]1)C(=O)CN3CCCC[C@H]3C	QS4	1-(2-methyl-1h-indol-3-yl)-2-[(2r)-2-methylpiperidin-1-yl]ethan-1-one
+Cc1ccc(o1)C(=O)Nc2ccc(cc2)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC	QS5	n-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)-5-methylfuran-2-carboxamide
+CN1c2c(cnc(n2)N[C@@H]3COC[C@@H]3NC(=O)C=C)C=C(C1=O)c4c(c(cc(c4Cl)OC)OC)Cl	QS7	n-[(3r,4s)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)F	QS8	[[(3~{r},6~{r})-6-fluoranyl-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
+CNC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cccc4)C	QSA	~{n}-methyl-2-[2-[(~{e})-(1-methylquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-yl]ethanamide
+c1cc(c(cc1C(=O)O)Br)O	QSB	3 bromo 4 hydroxybenzoic acid
+C[C@H](c1ccccc1)N	QSC	(1r)-1-phenylethanamine
+Cn1cc(cn1)c2ccc(nc2)NC(=O)[C@@H](c3ccccc3)NCCc4ccc(cc4)C#N	QSD	(2r)-2-{[2-(4-cyanophenyl)ethyl]amino}-n-[5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
+Cc1ccc(c(c1C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)CCC(C)(C)OC)/C)/C	QSE	all-trans okenone
+c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O	QSG	(2r,3r)-n-[(1-{(3s,3ar,6s,6ar)-6-[4-({[(2r,3r)-2,3-dihydroxy-4-oxo-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]amino}butanoyl]amino}methyl)-1h-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1h-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-n'-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]butanediamide (non-preferred name)
+c1c(cc(c(c1Br)O)Br)C(=O)O	QSH	3,5-bis(bromanyl)-4-oxidanyl-benzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)N)N)O)O)N	QSI	5'-o-[n-(l-glutaminyl)-sulfamoyl]adenosine
+Cc1cc(cc(c1OC)/C=C/c2ccc(cc2)Cl)N3C[C@H]([C@H](C3=O)O)O	QSJ	(3r,4r)-1-{3-[(e)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)O)O)OC(F)(F)F	QSK	[(2~{r},3~{r},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methoxyphosphinic acid
+CC(C)c1c2cc(ccc2[nH]c1c3ccc(c(c3)OC)OC)C4CCNCC4	QSM	2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1h-indole
+CS(=O)(=O)NN1C(=O)c2cc(c(cc2NC1=O)[N+](=O)[O-])n3ccnc3	QSN	n-[6-(1h-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl]methanesulfonamide
+COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O	QSO	5,7-dihydroxy-3-(4-methoxyphenyl)-4h-chromen-4-one
+Cc1ncc(c(n1)N)CN2[C@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](CCC(=O)O)(O)P(=O)(O)O	QSP	(4~{s})-4-[(2~{r})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{h}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)O)O)OC(F)(F)F)N	QSQ	[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphite
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)O)O	QSR	(9z,21r,24r,30r,33r,44z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-dip hosphatripentaconta-9,44-diene-21,33-diyl (9z,9'z)di-octadec-9-enoate
+CN1CCN(CC1)c2ccccc2N	QSS	2-(4-methylpiperazin-1-yl)aniline
+CCOC(=O)[C@@]1(N[C@H](C(S1)(C)C)C(=O)O)CS	QST	(2~{s},4~{s})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
+[H]/N=C(\N/N=C(/c1cc2c3c(sc2cc1)ccc(c3)/C(=N/N/C(=N/[H])/NC)/C)\C)/NC	QSV	(2e,2'e)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1e)eth-1-yl-1-ylidene]}bis(n-methylhydrazine-1-carboximidamide)
+c1cc2c(cc1F)S(=O)(=O)CC[C@@H]2C3CC3	QSW	(4~{r})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{h}-thiochromene 1,1-dioxide
+C[NH+](CCCN1C=Nc2c3cc(ccc3[nH]c2C1=O)OC)C4CCCCC4	QSY	n-[3-(8-methoxy-4-oxo-4,5-dihydro-3h-pyrimido[5,4-b]indol-3-yl)propyl]-n-methylcyclohexanaminium
+c1cc2c(cc1F)S(=O)(=O)CC[C@H]2C3CC3	QSZ	(4~{s})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{h}-thiochromene 1,1-dioxide
+CCOC(=O)[C@@]1(N[C@@H](C(S1)(C)C)C(=O)O)CS	QT2	(2~{s},4~{r})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
+B1(n2c(cc(c2Cc3n1c(cc3)CNC(=O)C)C)C)(F)F	QT4	~{n}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide
+Cc1nccn1c2cccc(c2)CN	QT5	[3-(2-methylimidazol-1-yl)phenyl]methanamine
+CC(C)(C)CN([C@@H]1CCS(=O)(=O)C1)C(=O)CCl	QT7	2-chloro-n-(2,2-dimethylpropyl)-n-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide
+CCC(=O)CC(=O)O	QT8	3-oxidanylidenepentanoic acid
+c1ccc(cc1)S(=O)(=O)c2cccc(c2)S(=O)(=O)N	QTA	3-(phenylsulfonyl)benzene-1-sulfonamide
+C[C@@H]1CCCC(C1/C=C/C(=C/C=C/C(=O)C)/C)(C)C	QTB	(3~{e},5~{e},7~{e})-6-methyl-8-[(6~{r})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one
+c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)N	QTD	4-phenoxybenzene-1-sulfonamide
+CC1CCCCC1	QTE	methylcyclohexane
+CCCNS(=O)(=O)c1ccc(cc1C)F	QTG	4-fluoro-2-methyl-n-propylbenzene-1-sulfonamide
+c1ccc(cc1)c2ccc(cc2)C[n+]3ccc(cc3)N4CCCC4	QTH	1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine
+c1cc(ccc1Oc2ccc(c(c2)Cl)F)S(=O)(=O)N	QTJ	4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
+c1ccc(cc1)C[n+]2ccc(cc2)N3CCCC3	QTK	1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium
+c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F	QTM	3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
+Cc1ccnc2c1ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	QTP	3-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-7-methyl-3h-imidazo[4,5-b]pyridine
+C1[C@@H]([C@H](CS1(=O)=O)O)O	QTQ	(3~{r},4~{r})-1,1-bis(oxidanylidene)thiolane-3,4-diol
+O	QTR	oxygen of quinone
+c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)N	QTS	1-[(4-chlorophenyl)methyl]-1h-benzimidazol-2-amine
+Cc1cccc(n1)CN(C)[C@H]2CCCC[C@@H]2N(Cc3cccc(n3)C)CC(=O)O	QTT	2-[[(1~{s},2~{s})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid
+c1cc(sc1)CCC(=O)O	QTU	3-(thiophen-2-yl)propanoic acid
+Cc1nc(cn1Cc2ccc(cc2)F)[N+](=O)[O-]	QTV	1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1h-imidazole
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)c3ccccc3)O)O)N	QTW	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[(~{e})-phenylcarbonyliminomethyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)CCC(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)CNC(=O)CCC(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O	QTY	n-[[1-[(3s,3ar,6s,6ar)-6-[4-[[[4-[[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]methyl]-1,2,3-triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3-triazol-4-yl]methyl]-n'-[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]butanediamide
+CC[C@@H]1[C@]([C@@H]2[C@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)(CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)O	QTZ	mycinamicin ii
+CC[C@@H]1[C@H]([C@@H]2[C@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC	QU2	mycinamicin i
+c1cc(c(cc1C(=C2C=CC(=O)C(=C2)C(=O)O)c3ccc(c(c3)C(=O)O)O)C(=O)O)O	QU4	3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid)
+COC1C=CC(C=C1)S	QU5	4-methoxycyclohexa-2,5-diene-1-thione
+CCCCCCC1=C([C@]2(CC[C@@H]([C@H]2C1)O)C(=C)c3ccccc3)c4ccccc4	QU7	(1s,3as,6as)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
+COc1ccc(cc1)NC=O	QU8	~{n}-(4-methoxyphenyl)methanamide
+C[C@@H](c1cc(nc2c1C=CC[C@@H]2O)C(=O)O)O	QUA	8-hydroxy-4-(1-hydroxyethyl)quinoline-2-carboxylic acid
+C=CCO/N=C/c1ccnc2c1cccc2	QUB	(e)-n-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine
+c1ccc(cc1)Oc2ccc3c(c2)c[n+](c(n3)N)[C@@H](CNC(=O)C4CCCCC4)C5CCCCC5	QUD	2-amino-3-{(1r)-1-cyclohexyl-2-[(cyclohexylcarbonyl)amino]ethyl}-6-phenoxyquinazolin-3-ium
+c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O	QUE	3,5,7,3',4'-pentahydroxyflavone
+c1c(c2c([nH]1)NC(=NC2=O)N)CN[C@H]3C=C[C@@H]([C@H]3O)O	QUG	2-amino-5-({[(1s,4s,5s)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O	QUH	[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{s},5~{s},6~{r})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{r})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate
+c1ccc2c(c1)ncc(n2)C(=O)O	QUI	2-carboxyquinoxaline
+CC(C)COc1cc(nc2c1cccc2N)C(=O)O	QUJ	8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid
+c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN	QUK	8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid
+CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4	QUL	n,n-diethyl-n'-(10h-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine
+C[C@@H](CCCN(CCCl)CCCl)/N=C\1/c2ccc(cc2Nc3c1cc(cc3)OC)Cl	QUM	quinacrine mustard
+CCN(CC)CCC[C@@H](C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl	QUN	quinacrine
+c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@@H]4CC[C@H]([C@H]4O)O	QUO	2-amino-7-deaza-(2'',3''-dihydroxy-cyclopentylamino)-guanosine-5'-monophosphate
+Cc1ccc(cc1n2cc(cc2C(=O)N)c3c4cccn4ncn3)Cl	QUP	1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1h-pyrrole-2-carboxamide
+C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1	QUS	(s)-2-amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CNC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	QUV	n-[(2s,3s,4r)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCO)N	QUW	4-azanyl-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	QUX	n-[(3s,4s,5r)-4,5-dihydroxy-1-[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nonadecan-3-yl]hexacosanamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)NCc2ccccc2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	QUY	(2s,3r,4s,5r,6s)-6-[(2s,3s,4r)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-n-(phenylmethyl)oxane-2-carboxamide
+c1ccc2c(c1)cncn2	QUZ	quinazoline
+c1ccc2c(c1)nc(o2)NC3=NC4(CCCC4)C5=C(N3)CCCC5=O	QV2	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)CO	QV4	4,6-dideoxy-4-{[(1s,4r,5r,6s)-4-{[alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-glucopyranose
+CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl)N4CCNCC4	QV5	5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{h}-indole-2-carboxamide
+Cc1cc(c(cc1Nc2ccc(c3c2C(=O)c4ccccc4C3=O)Nc5c(cc(c(c5C)S(=O)(=O)O)C)C)S(=O)(=O)O)C	QV6	3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid
+c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)O)/N=N/c3c4ccc(cc4cc(c3O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	QV7	3-hydroxy-4-[(e)-{2-sulfo-4-[(e)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid
+c1ccc(cc1)Nc2cc(cc3c2C(=O)c4ccccc4C3=O)S(=O)(=O)O	QV8	9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid
+C([C@@H](C(=O)O)N)S[C@@H]([C@@H](C(=O)O)O)C(=O)O	QVA	(2s,3r)-2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid
+CC(C)Oc1ccccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl	QVB	5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{h}-indole-2-carboxamide
+c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(=O)O	QVE	8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid
+c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)N)Cl	QVK	5-chloranyl-3-phenyl-1~{h}-indole-2-carboxamide
+CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C	QVM	(2e,4e,6e,8e,10e)-11-[(4r)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal
+c1ccc(cc1)CCC[C@@H](CC(=O)C(=O)O)C(=O)O	QVN	3-(3-phenylpropyl)-2-oxoglutarate
+C1C[C@H](C[C@H]1C(=O)C(=O)O)C(=O)O	QVQ	3-(carboxycarbonyl)cyclopentane-1-carboxylic acid
+C/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	QVR	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[(~{e})-prop-1-enyl]oxolane-3,4-diol
+c1cc2c(cc(nc2c(c1)N)C(=O)O)O	QVS	8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid
+CC[C@@H](CC(=O)C(=O)O)C(=O)O	QVT	4-ethyl-2-oxoglutarate
+CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCn2cnc3c2ncnc3N)NC(=O)OCc4ccccc4	QVV	benzyl [2-(4-{[2-(6-amino-9h-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate
+CCC[C@@H](CC(=O)O)C(=O)C(=O)O	QVW	3-propyl-2-oxoglutarate
+c1ccc2c(c1)-c3cncn3[C@H]2[C@@H]4CCOC[C@H]4O	QVY	1,5-anhydro-2,3-dideoxy-3-[(5s)-5h-imidazo[5,1-a]isoindol-5-yl]-d-threo-pentitol
+CC1(c2ccccc2-c3c1cc(cc3)C[C@@H](CC(=O)O)C(=O)C(=O)O)C	QVZ	3-((9,9-dimethyl-9h-fluoren-2-yl)methyl)-2-oxoglutarate
+CCC[C@@H](CC(=O)C(=O)O)C(=O)O	QW2	(4~{s})-2-oxidanylidene-4-propyl-pentanedioic acid
+CC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cccc4)C	QW4	2-[(e)-(1-methylquinolin-4(1h)-ylidene)methyl]-3-(2-oxopropyl)-1,3-benzothiazol-3-ium
+COc1cccc(c1)c2c3cc(ccc3[nH]c2C(=O)N)Cl	QW5	5-chloranyl-3-(3-methoxyphenyl)-1~{h}-indole-2-carboxamide
+C[C@H](c1c(ccc(c1Cl)OC)Cl)n2cnc3c2cc(cc3)c4ccccc4[C@H]5CCCCN5	QW7	1-[(1r)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2r)-piperidin-2-yl]phenyl}-1h-benzimidazole
+Cc1cccc2c1c(c[nH]2)c3[nH]c(cn3)C(=O)c4cc(c(c(c4)OC)OC)OC	QW9	[2-(4-methyl-1h-indol-3-yl)-1h-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
+c1ccc2c(c1)c(c[nH]2)Cn3ccnc3	QWB	3-(imidazol-1-ylmethyl)-1~{h}-indole
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N3CCCC[C@@H]3CCC(=O)c4nccs4	QWE	amino{[(4s)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2r)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]pip eridin-1-yl}pentyl]amino}methaniminium
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CSC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O	QWG	(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-3,4,5-triol (non-preferred name)
+CCC(=O)Nc1cc(nc(c1Br)C)C	QWH	~{n}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide
+c1ccc(cc1)[C@@H]2CCNC3(C2)CCN(CC3)c4c5c([nH]cn5)ncn4	QWI	6-(4-phenyl-1,9-diazaspiro[5.5]undecan-9-yl)-9h-purine
+C#CCSC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O	QWJ	6-s-(prop-2-yn-1-yl)-6-thio-beta-d-glucopyranosyl 1-thio-beta-d-galactopyranoside
+CCC(=O)Nc1ncc2c(n1)CCN(C2)Cc3ccccc3	QWK	~{n}-[6-(phenylmethyl)-7,8-dihydro-5~{h}-pyrido[4,3-d]pyrimidin-2-yl]propanamide
+C[C@H](C1CC1)Nc2nc(nc(n2)N[C@H](C)C3CC3)c4cccc(n4)C(F)(F)F	QWM	n~2~,n~4~-bis[(1r)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
+c1c2c(nc(c1Br)Cl)nn[nH]2	QWN	6-bromanyl-5-chloranyl-1~{h}-[1,2,3]triazolo[4,5-b]pyridine
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O[C@H]5C[C@H]([C@H]([C@H](O5)C)O)O[C@H]6C[C@]([C@@H]([C@H](O6)C)O)(C)O)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O	QWP	mithramycin
+Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)CN4CCCC4	QWQ	4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
+CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N	QWS	4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1h-pyrazole-3-carboxamide
+CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCCCOc4ccc(cc4)c5[nH]nnn5)OC)C	QWT	1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1h-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CCc2ccccc2)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O	QWV	n-[(2s,3r)-3-hydroxy-1-{[6-o-(3-phenylpropanoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
+c12c(c(c(nc1nn[nH]2)Br)Br)Br	QWW	5,6,7-tris(bromanyl)-1~{h}-[1,2,3]triazolo[4,5-b]pyridine
+c1ccc(cc1)c2nnc(s2)NC(=O)c3c(c4cc5c(nc4s3)CCCCC5)N	QWY	3-amino-n-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5h-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
+CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCc4ccc(cc4)OC)OC)C	QWZ	1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one
+c1ccc2c(c1)ncc(n2)C(=O)O	QX	quinoxaline-2-carboxylic acid
+CN1CCC(CC1)Nc2c(c(n3c(n2)c(cn3)c4ccc(c(c4)OC)OC)N)c5ccccc5	QX1	3-(3,4-dimethoxyphenyl)-n~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine
+c1[nH]c2c(c(c(nc2n1)Br)Br)Br	QX2	5,6,7-tris(bromanyl)-1~{h}-imidazo[4,5-b]pyridine
+Cc1ccc2c(c1)C(=CC(=O)O2)O	QX4	4-hydroxy-6-methyl-2h-1-benzopyran-2-one
+Cc1ccc(cc1C(=O)NC[C@@H](C(=O)O)NC(=O)C)S(=O)(=O)F	QX7	n-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-l-alanine
+c1cc(cc(c1)N2CCC2=O)CN3CCN(CC3)Cc4ccc(cc4)Br	QX8	1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one
+C1CCS(=O)(=O)C1	QXB	sulfolane
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)c4cccc(c4)O)O	QXD	5'-deoxy-5'-({[(2r)-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine
+C1CS(=O)(=O)C[C@@H]1O	QXE	3-hydroxythietane-1,1-dioxide
+c1cc(c(c(c1)O)N)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	QXG	5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine
+CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br)CN4CCN(CC4)Cc5ccc(cc5)Br	QXH	~{n}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3cccc4c3cccc4	QXK	2-ethyl-2-methanoyl-~{n}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
+[H]/N=C/1\C(=CC=C[C@]12OO[Fe+2]O2)C(=O)[O-]	QXM	(5r,6z)-5-(hydroperoxy-kappao)-5-(hydroxy-kappao)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)C	QXN	2-ethyl-2-methanoyl-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
+c1ccc(c(c1)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	QXP	5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCc3cc4c(cc3C2)OCO4	QXQ	~{n}-[3-(7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide
+CCC1(C(=O)N(C1=O)c2cccc(c2)CN3CCc4cc5c(cc4C3)OCO5)CC	QXT	1-[3-(7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione
+CSCC[C@H](C(=O)N)N	QXV	d-methioninamide
+c1c2c(nc(c1Br)Br)nn[nH]2	QXW	 5,6-dibromo-1h-triazolo[4,5-b]pyridine
+CCN1CCN(CC1)C(=O)c2ccc(cc2)Cn3c(cc(n3)C)C	QXY	{4-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone
+c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O	QY1	(2r)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)N)CN(C)c3ccccc3)c4ccccc4	QY4	n-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide
+CCC(=O)N(CCC(=O)Nc1ccnc(c1Br)n2ccnc2C)c3ccnc(c3Br)n4ccnc4C	QY5	~{n}-[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-3-[[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-propanoyl-amino]propanamide
+CC(C)c1ccc2c(c1)c(c(n2Cc3ccc(cc3)Cl)CC(C)(C)C(=O)O)SC(C)(C)C	QY7	3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1h-indol-2-yl]-2,2-dimethylpropanoic acid
+c1c[nH]c2c1C(=O)NC(=N2)N	QY8	2-amino-3h,4h,7h-pyrrolo[2,3-d]pyrimidin-4-one
+CC(=O)Oc1ccccc1	QY9	phenyl acetate
+c1cc(ccc1NC(=O)CN2C=CC(=O)NC2=O)S(=O)(=O)N	QYA	2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-n-(4-sulfamoylphenyl)acetamide
+c1ccc(cc1)c2c3c(n[nH]2)N=CNC3=O	QYB	3-phenyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one
+c1ccc(cc1)[C@H]2CN(CCS2)C(=O)Nc3ccc(cc3)[N+](=O)[O-]	QYD	n-(4-nitrophenyl)-2-phenyl-thiomorpholine-4-carboxamide
+c1csc2c1c(ncc2Cl)N	QYE	7-chlorothieno[3,2-c]pyridin-4-amine
+c1cc(ccc1/C=C/2\C(=O)N(C(=N2)[C@H](CCC(=O)N)N)CC(=O)O)O	QYG	{(4e)-2-[(1s)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+COc1ccc(cc1)c2cc(nc(n2)N)N	QYH	6-(4-methoxyphenyl)pyrimidine-2,4-diamine
+Cn1c2c(c(c1Br)C#N)c(ncn2)N	QYK	4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+C[C@]12C[C@@H]([C@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)c5ccc(cc5)OCCN(C)C	QYM	(9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol
+C[C@@H](c1c(cnc2n1nc(c2)Cl)Nc3ccc(cc3)[C@@H](C(F)(F)F)N(C)C(=O)C4CCS(=O)(=O)CC4)OC	QYQ	~{n}-[(1~{s})-1-[4-[[2-chloranyl-7-[(1~{s})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{n}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(CC2)(F)F	QYS	(1s,2s)-2-[(n-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1cc2c(cc1C=C3C(=O)NC(=O)S3)nccn2	QYT	(5e)-5-(quinoxalin-6-ylmethylene)-1,3-thiazolidine-2,4-dione
+CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C	QYV	4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-n-ethyl-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide
+Cc1nc(c2c(c([nH]c2n1)c3cccnc3)C#N)N	QYW	4-azanyl-2-methyl-6-pyridin-3-yl-7~{h}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cccc4C)C)S(=O)(=O)CC)C	QYY	4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-n-ethyl-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide
+Cc1ccc(o1)/C=C/2\c3ccccc3NC2=O	QYZ	(3~{e})-3-[(5-methylfuran-2-yl)methylidene]-1~{h}-indol-2-one
+CCCCCCc1cccc(c1)Nc2cccc(c2C(=O)O)F	QZ1	2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid
+Cn1cc(cn1)c2cc([nH]n2)C(=O)O	QZ2	3-(1-methylpyrazol-4-yl)-1~{h}-pyrazole-5-carboxylic acid
+CCc1cc2c(c(n1)C)C(=C(C(=O)N2)C#N)c3ccc(cc3)NS(=O)(=O)C	QZ3	n-[4-(3-cyano-7-ethyl-5-methyl-2-oxo-1h-1,6-naphthyridin-4-yl)phenyl]methanesulfonamide
+C1CCC(CC1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OC3CCC(CC3)(F)F	QZ4	4,4-difluorocyclohexyl [(2s)-3-cyclohexyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OC2CCC(CC2)(F)F	QZ7	n~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+Cc1c2c(n[nH]1)NC(=O)C=C2c3ccccc3	QZ8	3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
+C[C@@H]([C@H](CCl)O)N	QZA	(2r,3s)-3-amino-1-chlorobutan-2-ol
+CCC1(COCOC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	QZD	n~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+c1cc(c2c(c1)C3=C(CC2)C(=C(C(=O)N3)C#N)c4ccc(cc4)C(=O)O)c5c[nH]nc5	QZE	4-[3-cyano-2-oxo-7-(1h-pyrazol-4-yl)-5,6-dihydro-1h-benzo[h]quinolin-4-yl]benzoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OC2CCC(CC2)C(C)C	QZG	n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-l-leucinamide
+CC(C(C1N=C(/C(=C/CCCO)/S1)C(=O)O)C(=O)O)O	QZH	(5~{z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{h}-1,3-thiazole-4-carboxylic acid
+CCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	QZJ	n~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O	QZK	{[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid)
+CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccc(c(c2)OC)O)NC(=O)OCc3ccccc3	QZM	2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{n}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide
+CCCCCCCCCC1=Nc2cc(ccc2C(=O)N1N)Cl	QZN	3-amino-7-chloro-2-nonylquinazolin-4(3h)-one
+CC(C)Cc1ccc(cc1)C(=O)O	QZP	4-(2-methylpropyl)benzoic acid
+CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@H]5[C@@]4(C=C[C@@H](C5(C)C)O)C)C)C(=O)O	QZQ	betulinic acid
+c1cc(cc(c1)OCCCn2cc(nn2)CCOc3cc(nc4c3cccc4N)C=O)CNC(=O)c5ccc(cc5)S(=O)(=O)N	QZS	~{n}-[[3-[3-[4-[2-(8-azanyl-2-methanoyl-quinolin-4-yl)oxyethyl]-1,2,3-triazol-1-yl]propoxy]phenyl]methyl]-4-sulfamoyl-benzamide
+C1CCS(=O)C1	QZT	thiolane 1-oxide
+Cc1ccc2c(c1)c(c(o2)C#Cc3ccc(cc3)C(=O)NCCOCCOCCNC(=O)c4ccc(cc4)C#Cc5c(c6cc(ccc6o5)C)CC(=O)O)CC(=O)O	QZV	2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid
+Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)OCc4ccsc4	QZW	4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
+CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)Oc4ccccc4	QZY	3-{[benzyl(ethyl)carbamoyl]amino}-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid
+COc1cccc(c1)C2=CC(=C(C(=O)N2)C#N)c3ccc(cc3)C(=O)O	QZZ	4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1h-pyridin-4-yl]benzoic acid
+c1ccc(cc1)[C@H](CO)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	R	2'-deoxy-n6-(r)styrene oxide adenosine monophosphate
+c1ccc(cc1)C[C@@H]([C@H](CN[C@@H](Cc2ccccc2)C(=O)O)O)N	R00	n-[(2s,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-phenylalanine
+C[N@@](CC=C)Cc1ccc(cc1)c2ccc(cc2)C(=O)c3ccc(cc3)Br	R01	(4'-{[allyl(methyl)amino]methyl}-1,1'-biphenyl-4-yl)(4-bromophenyl)methanone
+C=CC[N@@](C[C@H]1C[C@@H]1COc2ccc(cc2)C(=O)c3ccc(cc3)Br)C4CC4	R02	{4-[((1s,2s)-2-{[allyl(cyclopropyl)amino]methyl}cyclopropyl)methoxy]phenyl}(4-bromophenyl)methanone
+Cn1c2cc(ccc2c(n1)c3ccc(cc3)Br)OCCCCCC[N@](C)CC=C	R03	allyl-{6-[3-(4-bromo-phenyl)-1-methyl-1h-indazol-6-yl]oxy}hexyl)-n-methylamine
+Cn1c2cc(c(cc2c(n1)c3ccc(cc3)Br)F)OC\C=C\C[N@](C)CC=C	R04	(2e)-n-allyl-4-{[3-(4-bromophenyl)-5-fluoro-1-methyl-1h-indazol-6-yl]oxy}-n-methyl-2-buten-1-amine
+Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)NCc4c(cccc4F)F	R05	5-(2-azanylpyridin-4-yl)-~{n}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+C[C@H](C(F)(F)F)N1CN(N2C=CC(=O)C(=C2C1=O)O)[C@H]3c4ccccc4CSc5c3cccc5	R07	1-[(11s)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2r)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1h-pyrido[2,1-f][1,2,4]triazine-4,6-dione
+Cc1cc(ccc1c2nc(c(n2C)c3ccc4cc(ccc4c3)OC)c5ccncc5)S(=O)(=O)C	R09	4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1h-imidazol-4-yl}pyridine
+CCCCC1=C(N[C@H](S1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O	R0B	(2~{r})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid
+c1ccc2c(c1)OC[C@@H](O2)C(=O)N3CCC4(CC3)C=Nc5c4cc(cc5)Cl	R0D	(5-chloro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)[(2r)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone
+CC(C)C[C@@H]1C=C[C@H]2CCN[C@@H]2C(=O)N1CC(=O)O	R0E	prom-17
+c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3)C#N)N4CCC[C@H](C4)N	R0G	4-({(1r,2r)-2-[(3r)-3-aminopiperidin-1-yl]-2,3-dihydro-1h-inden-1-yl}oxy)benzonitrile
+c1cc(nc2c1n(c(n2)CN3c4cnccc4N(C3=O)C5CC5)CCCC(F)(F)F)Cl	R0J	3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1h-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one
+CC/C=C/C=C/C(=O)O	R0M	(2e,4e)-hepta-2,4-dienoic acid
+C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)[S@](C3CC3)(N)O)C(F)(F)F)O	R0N	roniciclib
+CS(=O)(=O)CCCn1c2ccncc2cc1CN3c4cnccc4N(C3=O)C5CC5	R0P	1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1h-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one
+COc1ccc(cc1OC)N2c3ccncc3N(C2=O)Cc4cc5cc(ccc5n4CCCC#N)Cl	R0S	4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3h-imidazo[4,5-c]pyridin-3-yl]methyl}-1h-indol-1-yl)butanenitrile
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N	R0Y	(2e)-1-[(1s)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one
+COc1cccc2c1Nc3c(cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC)C2=O	R0Z	elacridar
+C([C@H]([C@H]([C@H](C(=O)O)O)O)O)OP(=O)(O)O	R10	5-o-phosphono-d-ribonic acid
+[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)Cn4c(nc5c4cccc5)C)\N	R11	4-{[1-methyl-5-(2-methyl-benzoimidazol-1-ylmethyl)-1h-benzoimidazol-2-ylmethyl]-amino}-benzamidine
+Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)O	R12	(2e,4e,6e,8e)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
+C\C(=C/C(=O)O)\C=C\C=C(/C)\c1ccc2c(c1)C(CCC2(C)C)(C)C	R13	3-methyl-7-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl) -octa-2,4,6-trienoic acid
+CCN(CC)CCC(=O)Nc1cccc(c1)c2cn(nn2)c3ccc4cc5ccc(cc5nc4c3)n6cc(nn6)c7cccc(c7)NC(=O)CCN(CC)CC	R14	n,n'-[acridine-3,6-diylbis(1h-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl	R15	n,n'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide)
+CCCCCCCCCCCCCCCC	R16	hexadecane
+C[N@@](CC=C)C\C=C\COc1ccc2c(c1)occ2c3ccc(cc3)Br	R17	allyl-{4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl}-methyl-amine
+C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O	R18	(17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one
+C[N@@](CCCCCCOc1ccc2c(c1)occ2c3ccc(cc3)Br)CC=C	R19	allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-hexyl-}-methyl-amin
+CC1(C=C(C([N+]1=O)(C)C)CSSC[C@@H](C(=O)O)N)C	R1A	3-{[(2,2,5,5-tetramethyl-1-oxo-2,5-dihydro-1h-pyrrolium-3-yl)methyl]disulfanyl}-d-alanine
+CC1=C(C(N(C1(C)C)[O])(C)C)CSS(=O)(=O)C	R1B	s-[(1-oxyl-2,2,4,5,5-pentamethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate
+c1ccc2c(c1)ccc-3c2C4=N[Rh]56(N=C4c7c3cccc7)([n+]8ccccc8-c9[n+]5cccc9)[n+]1ccccc1-c1[n+]6cccc1	R1C	bis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~n,n']rhodium(4+)
+COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3C(F)(F)F)O	R1D	5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide
+C1[C@@H]([C@H](CC1(F)F)O)O	R1E	trans-4,4-difluorocyclopentane-1,2-diol
+CC1(C(=C(C(N1[O])(C)C)c2ccccc2)CSS(=O)(=O)C)C	R1F	s-[(1-oxyl-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate
+COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)NC(=O)c4cc(c(cc4NC(=O)c5cc6ccccc6nc5)OC)OC	R1H	tariquidar
+CC12C3([Rh]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C	R1N	2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O	R1P	1-o-phosphono-alpha-d-ribofuranose
+CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC)O	R1Q	vincristine
+c1ccc2c(c1)c(cs2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl	R1S	n-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide
+Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O	R1T	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate
+CC(=CCC/C(=C/CN[C@@H](CCC(=O)O)C(=O)O)/C)C	R1V	n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-l-glutamic acid
+CCC(=O)Nc1cc(ccc1C)c2c3c(ccnc3[nH]c2c4ccc(cc4)N5CCN(CC5)C)Cl	R1W	~{n}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide
+C1[C@@H]([C@@H]([C@H](O1)CO)O)O	R1X	1,4-anhydro-d-ribitol
+c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=[N]7C=CC=C1)[N]1=CC=CC=C1C1=CC=CC=[N]81)C=CC=C36	R1Z	delta-[ru(bpy)2dppz]2+
+Cc1cccc(c1)c2c[nH]nn2	R20	4-(3-methylphenyl)-1h-1,2,3-triazole
+c1cc(ccc1CCNC(=O)Cc2ccc(c(c2)Cl)O)S(=O)(=O)N	R21	2-(3-chloro-4-hydroxyphenyl)-n-[2-(4-sulfamoylphenyl)ethyl]acetamide
+Cc1cc(cc(c1)OC2=C(C(=O)NC(=C2CSCc3ccco3)C)I)C	R22	4-(3,5-dimethylphenoxy)-5-(furan-2-ylmethylsulfanylmethyl)-3-iodo-6-methylpyridin-2(1h)-one
+CN(C1CCC(CC1)c2ccc(cc2)CN3CCCCC3)C(=O)Oc4ccc(cc4)Cl	R23	methyl-[4-(4-piperidine-1-ylmethyl-phenyl)-cyclohexyl]-carbaminic acid-(4-chlorophenyl)-ester
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)[N+](=O)[O-]	R24	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{3-[(6-nitroquinolin-4-yl)amino]phenyl}urea
+c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C#N	R26	3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](C/C(=N/NC(=O)C)/[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC	R27	n'-[(3s,4r,5s,8r,9e,12s,14s,15r,16s,18r,19r,26as)-5,19-dihydroxy-3-{(1e)-1-[(1r,3r,4r)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7h-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide
+CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2ncc(c(n2)c3cn(c4c3cccc4)C)C(=O)OC(C)C	R28	propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
+[B-]1(c2cc(ccc2CO1)NC(=O)NCc3ccccc3)(O)O	R29	1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCN4CCN(CC4)C(=O)c5cccc(c5)C#Cc6c(c7cc(ccc7o6)C)CC(=O)O)CC(=O)O	R2A	(2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid
+C1=C([C@@H]([C@H](O1)CO)O)O	R2B	1,4-anhydro-d-erythro-pent-1-enitol
+COc1ccc(c(c1)C(=O)O)Nc2ccc(cc2)Oc3ccccc3	R2C	5-methoxy-2-[(4-phenoxyphenyl)amino]benzoic acid
+c1ccc2c(c1)nc3n2c(c(s3)CC(=O)O)c4ccc(cc4)Cl	R2D	[3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
+CCC(=O)N1CCC(CC1)Oc2cc3c(cc2OC)ncnc3Nc4ccc(c(c4F)Cl)Cl	R2E	1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCn5cc(nn5)CO[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)N(CC)CC	R2F	2-[2-[4-[[(2r,3s,4r,5s,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+C1=CO[C@H]([C@@H]1O)CO	R2G	2,5-anhydro-4-deoxy-d-erythro-pent-4-enitol
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)F)O)O	R2H	3-fluoro dicyclotyrosine
+CNCc1c2ccccc2n(n1)C	R2J	n-methyl-1-(1-methyl-1h-indazol-3-yl)methanamine
+C(C(=O)O[Na])C(=O)O[Na]	R2K	(3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium
+Cn1c2ccc(cc2cc1C(=O)O)Br	R2N	5-bromo-1-methyl-1h-indole-2-carboxylic acid
+C(c1c(nsn1)O)[C@H](C(=O)O)N	R2P	(2r)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid
+c1ccc(cc1)c2cn3cc(ccc3n2)c4cccc(c4)C#N	R2Q	3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile
+N[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)N	R2R	ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
+c1ccc2c(c1)cc(s2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl	R2S	n-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-sulfonamide
+[C@@H]([C@@H](C(=O)O)N)([C@@H](C(=O)N)O)O	R2T	beta,gamma-dihydroxyglutamine
+c1cc(cc(c1)O)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	R2V	5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine
+c1ccc(cc1)OCCCNC(=S)Nc2ccc(cc2)S(=O)(=O)N	R2W	4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide
+CC(C)C[C@H](C(=O)N1CC(C[C@H]1C(=O)NCc2ccc3c(c2)ccnc3N)(F)F)NC4CCCCC4	R2Y	n-cyclohexyl-d-leucyl-n-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-l-prolinamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]\1CCC/C1=C/[C@H](COP(=O)(O)O)NC=O	R2Z	n~2~-({(1r,2z)-2-[(2r)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-l-argininamide
+CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3	R30	n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide
+CC(C)[C@H](C[C@@H]([C@H](CN1CCN(C(=O)C1)c2ccccc2OCCCOC)N)O)C(=O)NCC(C)(C)C(=O)N	R31	(2s,4s,5s)-5-amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide
+CC(C)[C@H](C[C@@H]([C@H](CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NCC(C)(C)C(=O)N	R32	(2s,4s,5s)-5-amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)C)NC(=O)CN	R33	n-[(3s)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide
+Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl	R34	5-{[6-chloro-5-(1-methyl-1h-indol-5-yl)-1h-benzimidazol-2-yl]oxy}-n-hydroxy-2-methylbenzamide
+CC(C)(C)[C@@H](CC(=O)O)C(=O)O	R35	(2r)-2-tert-butylbutanedioic acid
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](CC(C)C)NC(=O)c3cccc(c3)N)O)C	R36	4-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](CC(C)C)NC(=O)c3ccc(cc3)N)O)C	R37	3-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide
+C[C@H](CS)C(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)O	R38	(2~{r})-3-(1~{h}-indol-3-yl)-2-[[(2~{s})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)OCCN4CCOCC4	R39	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
+[H]/N=C(/N)\Nc1c2cc(ccc2c(cn1)Cl)S(=O)(=O)N[C@H](C(C)C)C(=O)N3CCOCC3	R3A	1-carbamimidamido-4-chloro-n-[(2r)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC	R3B	(2s,9s,12r)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-24,27-dimethoxy-11,18,22-trioxa-4-azatetracyclo[21.2.2.113,17.04,9]octacosa-1(25),13(28),14,16,23,26-hexaene-3,10-dione
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC/C=C\COCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC	R3E	(2s,9s,12r,20z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)N(CC)CC	R3F	2-[2-[2-[4-[[(2r,3s,4r,5s,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC	R3G	2-[2-(2-{4-[(alpha-d-glucopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+O[Ti](O)(O)O	R3H	tetrakis(oxidanyl)titanium
+CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccnc(c2)OC)NC(=O)OCc3ccccc3	R3J	benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC	R3M	2-[2-(2-{4-[(alpha-d-mannopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+C[C@H]([C@H]([C@@H]1N=C([C@H](S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O	R3N	(2r,5s)-2-[(1s,2r)-1-carboxy-2-hydroxy-propyl]-5-[(2r)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid
+CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl	R3P	2,6-dichloro-n-[1-(propan-2-yl)piperidin-4-yl]benzamide
+c1cc(ccc1/C=C/c2cc(cc(c2)OS(=O)(=O)O)O)O	R3S	resveratrol-3-o-sulfate
+C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O	R3V	(5r,6s)-5-(4-{2-[(3s)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
+C(C(=O)O)Cl	R3W	chloroacetic acid
+c1cc(ccc1/C=C/c2cc(cc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O	R3X	resveratrol-3-o-glucuronide
+Cc1cc(cc(c1O[C@@H]2CNC[C@@H]2F)c3ccnc4c3sc(c4)CN5C(=O)CCC5=O)Cl	R3Y	1-{[7-(5-chloro-2-{[(3r,4s)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1h-pyrrole-2,5-dione
+c1ccc2c(c1)OC[C@@H](O2)CN3c4ccsc4C(=O)N(C3=O)O	R3Z	1-[(2s)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1h,3h)-dione
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1	R40	n~2~-[(benzyloxy)carbonyl]-l-arginine
+c1cnc(cc1c2cc(cc3c2O[C@H](C3)C(=O)N4CCNCC4)Cl)N	R41	[(2r)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
+c1cnc2cc(sc2c1c3cc(cc4c3O[C@H](C4)C(=O)N5CCNCC5)Cl)CN6C(=O)CCC6=O	R44	1-({7-[(2r)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1h-pyrrole-2,5-dione
+c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	R45	n-{(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-alpha-glutamyl-l-al pha-glutamine
+C[N@@](CCCCCCOc1ccc(cc1)c2c3ccc(cc3sn2)Br)CC=C	R46	n-{6-[4-(6-bromo-1,2-benzisothiazol-3-yl)phenoxy]hexyl}-n-methyl-2-propen-1-amine
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	R47	n-[(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-l-alpha-glutamyl-l-alpha-glutamine
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N	R48	1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4ccnc5c4cc(cc5)N	R49	1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea
+CN(C)c1cccc(c1)OCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24	R4A	bis[1h,1'h-2,2'-bipyridinato(2-)-kappa~2~n~1~,n~1'~]{3-[4-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~n~1~,n~10~)butoxy]-n,n-dimethylanilinato(2-)}ruthenium
+C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)c2ccc(cc2)c3cccc(c3)Cl)CP(=O)(c4ccc(cc4)Br)O	R4B	n-[(2s)-3-[(r)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-l-a lanyl-l-alaninamide
+C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)c2ccccc2)CP(=O)(c3ccc(cc3)Br)O	R4C	n-{(2s)-3-[(r)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-alanyl-l-alaninamid e
+C[C@H](Cc1ccccc1)C(=O)N2CCC(CC2)(CN3C=Nc4ccccc4C3=O)O	R4D	3-({4-hydroxy-1-[(2r)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3h)-one
+CCCCCC1=Cc2c(cccc2N)C(=O)N1	R4E	5-amino-3-pentylisoquinolin-1(2h)-one
+c1cc(ccc1/C=C/c2cc(cc(c2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O	R4G	resveratrol-4'-o-glucuronide
+CC1(C(NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCc4ccc(cc4)c5[nH]nnn5)OC)C	R4H	2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one
+c1cnc2cc(sc2c1c3cc(cc4c3O[C@H](C4)C(=O)N5CCNCC5)Cl)[C@@](CO)(CCl)O	R4J	[(2r)-5-chloro-7-{2-[(2s)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
+c1ccc2c(c1)[C@@](C(=O)N2)([C@@H]([C@@H](C(=O)O)N)O)O	R4K	(2s,3r)-2-azanyl-3-hydroxy-3-[(3s)-3-hydroxy-2-oxo-1h-indol-3-yl]propanoic acid
+CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCCC7	R4L	11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+C[C@@H]1CC/C(=C\C(=C/CC/C(=C/C(=O)O)/C)\C)/c2c1cccc2	R4M	(2e,6z,8e)-3,7-dimethyl-8-[(4r)-4-methyl-3,4-dihydronaphthalen-1(2h)-ylidene]octa-2,6-dienoic acid
+c1ccc2c(c1)OC[C@@H](O2)CNC(=O)c3ccc4c(c3)N(C(=O)CS4)Cc5cccc(c5)Cl	R4N	4-[(3-chlorophenyl)methyl]-n-[[(3s)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide
+Cc1ccccc1c2ccc(cc2)c3cc(c4c(c3)nnn4C)C(=O)O	R4P	1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1h-benzotriazole-7-carboxylic acid
+C[C@H](C(=O)N1CCC[C@H](C1)C(=O)O)Oc2ccc3c(c2)OC(=O)C=C3c4ccc(cc4Cl)F	R4Q	(3~{r})-1-[(2~{r})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
+c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)C5CC5)F	R4S	n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)S)O[C@H]([C@@H]5F)n6cnc7c6ncnc7[NH3+])S)F)[NH3+]	R4T	9-[(1~{r},3~{r},6~{r},8~{r},9~{r},10~{r},12~{r},15~{r},17~{r},18~{r})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine
+C[C@@H]1[C@H]2[C@@]1(CN(C2)c3c(cnc(n3)Nc4cnn(c4)C)F)NC(=O)[C@@H]5CC5(F)F	R4V	(1s)-2,2-difluoro-n-[(1s,5r,6r)-3-{5-fluoro-2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
+CCS(=O)(=O)C	R4W	1-methylsulfonylethane
+c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@H]5C[C@@H]5C#N)F	R4Y	(1s,2s)-2-cyano-n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
+CCc1cc2c(c(c1)C(=O)O)C=CC2=O	R4Z	6-ethyl-1-oxidanylidene-indene-4-carboxylic acid
+C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O	R51	5-o-phosphono-d-ribose
+C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O	R52	5-o-phosphono-d-ribose
+C[C@H]1CCCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O	R54	(5r,6s)-5-(4-{2-[(2s)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
+CC1(CCN(CC1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C	R55	n-[4-({4-[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide
+c1ccc(cc1)CS(=O)(=O)N[C@@H]2CC[C@H]3N(C2=O)[C@@H](CS3)C(=O)NCCCNC(=N)N	R56	5-oxo-6-phenylmethanesulfonylamino-hexahydro-thiazolo[3,2-a]pyridine-3-carboxylic acid (3-guanidino-propyl)-amide
+COc1ccc(cc1F)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O	R57	3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+CCOc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O	R58	3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+C[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O	R59	(2~{s})-3-(1~{h}-indol-3-yl)-2-[[(2~{s})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid
+CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R5A	ruthenium wire, 5 carbon linker
+CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R5B	ruthenium wire wc5
+c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@@H]5C[C@H]5C#N)F	R5D	(1r,2r)-2-cyano-n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
+c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO	R5G	n-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1h-indole-6-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N=CNC2=O	R5I	inosine diphosphate ribose
+[O][W]1234O[Ni]56O[W]78(O1)(O2[Si]91O2%10[W]%11%12(O5)(O[W]5%13(O6)(O96[W]9(O7)(O5)(O[W]57(O8)(O11[W]8(O3)(O5)(O[W]2(O4)(O%11)(O[W]%102(O%12)(O[W]6(O%13)(O9)(O[W]1(O8)(O7)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	R5N	ni-substituted keggin silicotungstate
+C(C(C(C(C=O)O)O)O)OP(=O)(O)O	R5P	ribose-5-phosphate
+[O][W]1234O[Co]56O[W]78(O1)(O2[Si]91O2%10[W]%11%12(O5)(O[W]5%13(O6)(O96[W]9(O7)(O5)(O[W]57(O8)(O11[W]8(O3)(O5)(O[W]2(O4)(O%11)(O[W]%102(O%12)(O[W]6(O%13)(O9)(O[W]1(O8)(O7)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	R5Q	co-substituted keggin silicotungstate
+c1cc(ccc1C2CCNCC2)Nc3nc(c4c(n3)NCC4)c5cnn(c5)CCC#N	R5S	3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)n2cccn2)C(=O)NO	R5T	tert-butyl {(1s)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}carbamate
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)n2cccn2)C(=O)NO	R5V	n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide
+Cc1nnc2n1cccc2NC(=O)CCC3(NN3)CCC#C	R5W	3-(3-(but-3-yn-1-yl)-3h-diazirin-3-yl)-n-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
+c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO	R5X	3-amino-n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}benzamide
+C=CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C5CCNCC5	R5Y	4-[1-(but-3-en-1-yl)-1h-pyrazol-4-yl]-n-[4-(piperidin-4-yl)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+CC1(C(NN(C1=O)C2CCCCCC2)c3ccc(c(c3)O/C=C/c4ccccc4)OC)C	R5Z	1-cycloheptyl-3-[4-methoxy-3-(2-phenylethoxy)phenyl]-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one
+Cc1cnc(nc1Nc2ccc(c(c2)N3CCCS3(=O)=O)F)Nc4cc(c(c(c4)F)C5CCN(CC5)C)F	R61	2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione
+CC1(CCC(c2c1ncc(n2)C#Cc3ccc(cc3)C(=O)O)(C)C)C	R62	4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid
+Cc1c2c(cccc2OCCCNCc3cccnc3)oc1C(=O)c4nccn4C	R64	(1-methyl-1h-imidazol-2-yl)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-methanone
+CS(=O)(=O)CC(=O)C(=O)O	R67	3-(methylsulfonyl)-2-oxopropanoic acid
+CC1(CCCN[C@H]1c2ccc(c(c2F)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C	R68	n-{4-[(4-{3-[(2r)-3,3-dimethylpiperidin-2-yl]-2-fluoro-6-hydroxybenzoyl}benzoyl)amino]azepan-3-yl}isonicotinamide
+CN(C)c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	R69	n-[4-({4-[5-(dimethylamino)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide
+CN(C)c1cccc(c1)OCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R6A	ruthenium wire, 6 carbon linker
+CC(C)N1CCC(c2c1ccc(c2)c3ccc(cc3)/C=C/C(=O)O)(C)C	R6B	(~{e})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid
+CC[C@H](CO)Nc1nc2c(c(n1)OCc3ccccc3)ncn2C(C)C	R6C	(2r)-2-{[6-(benzyloxy)-9-isopropyl-9h-purin-2-yl]amino}butan-1-ol
+c1cc(ccc1Nc2c3nccn3cc(n2)c4cncc(n4)N)N5CCN(CC5)C6COC6	R6D	6-(6-aminopyrazin-2-yl)-n-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine
+CCCCCC[C@](CC)(C(=O)O)N	R6E	(2~{r})-2-azanyl-2-ethyl-octanoic acid
+CCNc1cc2c(cc1C)C(=C3C=C([C@H](C=C3O2)NCC)C)c4ccc(cc4C(=O)O)C(=O)NCCCCCCO	R6G	rhodamine 6g
+CCOc1cn(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)c5ccc(cc5C)F	R6H	~{n}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide
+Cn1cc(cn1)c2cc(c(nc2)N)C(=O)N[C@H]3CCC[C@@H]3OCc4ccc(cc4)c5ccc(cc5)CN6CCN(CC6)C	R6K	2-azanyl-~{n}-[(1~{s},2~{s})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3ccc(c(c3)F)C4CCN(CC4)C	R6M	n-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide
+CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C	R6N	4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
+c1cc(ccc1C2CCNCC2)Nc3nc(c4cc[nH]c4n3)c5cnn(c5)[C@@H](CC#N)C6CCCC6	R6P	(3s)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+c1ccc2c(c1)C3(CCN(CC3)CCc4ccc(cc4)C(F)(F)F)OC(=O)N2	R6Q	1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{h}-3,1-benzoxazine-4,4'-piperidine]-2-one
+Cc1cnc(nc1Nc2ccc3c(c2)N(CC3)S(=O)(=O)C(C)(C)C)Nc4ccc(c(c4)F)C5CCN(CC5)C	R6S	n~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1h-indol-6-yl]-n~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine
+c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O	R6T	9-oxo-9h-fluorene-4-carboxamide
+c1cc(ccc1C2CCNCC2)Nc3nc(c4cc[nH]c4n3)c5cnn(c5)[C@H](CC#N)C6CCCC6	R6V	(3r)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+c1ccc2c(c1)c(c([nH]2)CNCCCCCCNCc3c(c4ccccc4[nH]3)[C@@H]5c6cc(ccc6C(=O)N5)O)[C@@H]7c8cc(ccc8C(=O)N7)O	R6W	(3~{s})-5-oxidanyl-3-[2-[[6-[[3-[(1~{s})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{h}-indol-2-yl]methylamino]hexylamino]methyl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one
+c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4	R6Z	3-(1h-tetrazol-5-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
+COc1ccccc1C2=C(C(=O)NC2=O)Nc3ccc(cc3)C(=O)c4ccccc4	R70	3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione
+C[N@@](CCCCCCOc1ccc(c(c1)F)C(=O)c2ccc(cc2)Br)CC=C	R71	[4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone
+CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C	R72	4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+c1cc2c(cc1CC(=O)N[C@@H](CS)C(=O)NCc3ccncc3)OCO2	R74	n~2~-[(2h-1,3-benzodioxol-5-yl)acetyl]-n-[(pyridin-4-yl)methyl]-l-cysteinamide
+CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br	R75	[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
+CN(C(=O)C[C@@H](CCCCc1ccccc1)CP(=O)(O)O)O	R77	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-6-phenylhexyl]phosphonic acid
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C	R78	4-{[(7r)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+C[N@@](CCCCCCOc1ccc2c(c1)snc2c3ccc(cc3)Br)CC=C	R79	n-(6-{[3-(4-bromophenyl)-1,2-benzisothiazol-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine
+CC1(C(=C(C(N1[O])(C)C)Br)CSS(=O)(=O)C)C	R7A	s-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate
+c1cn2c(n1)C(=CNC2=O)C3CCCCC3	R7B	8-cyclohexyl-6~{h}-imidazo[1,2-c]pyrimidin-5-one
+c1ccnc(c1)CNC(=O)[C@H](CS)NC(=O)[C@@H](c2ccc(cc2)C(F)(F)F)O	R7D	n~2~-{(2r)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-n-[(pyridin-2-yl)methyl]-l-cysteinamide
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)c4cc(c(cc4C3=O)O)O)C=O	R7G	1-[(2s)-2-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6 -dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1h-pyrazole-3-carboxylic acid
+CCOCCn1cc(nn1)CSC[C@H]([C@H]([C@H]2[C@@H]([C@H](CC(O2)C(=O)O)O)NC(=O)C)O)O	R7H	(4~{s},5~{r},6~{r})-5-acetamido-6-[(1~{r},2~{s})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=CNC2=O	R7I	inosine diphosphate ribose
+c1cc(cc(c1)F)c2ccc3c(c2)c(co3)CC(=O)O	R7J	[5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid
+c1cc(c(cc1F)F)CNC(=O)C2=C(c3c(ccnc3N(C2=O)O)CO)O	R7K	~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1,4-bis(oxidanyl)-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
+COc1ccc2c(c1)O[C@](CC2=O)(C(C(F)(F)F)(F)F)O	R7M	(2r)-2-hydroxy-7-methoxy-2-(pentafluoroethyl)-2,3-dihydro-4h-1-benzopyran-4-one
+c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCS(=O)(=O)CCN4CCOCC4)N	R7N	4-azanyl-~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
+Cc1ccc-2c(c1)NC(=O)Nc3c2nc(nc3)Nc4ccc(cc4OC)N5C[C@H](N[C@H](C5)C)C	R7P	2-({4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6h-pyrimido[5,4-d][1,3]benzodiazepin-6-one
+Cc1ccc(cc1)C(=O)C(C)C	R7Q	2-methyl-1-(4-methylphenyl)propan-1-one
+CC(C)([C@@H](CNC(=O)c1cnc(cc1NC2CC2)Nc3ccc4c(c3)scn4)F)O	R7S	6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-n-[(2r)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
+c1cc(sc1)Cc2ccc(cc2)C(=O)O	R7T	4-[(thiophen-2-yl)methyl]benzoic acid
+CN(C)c1cccc(c1)OCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R7U	ruthenium wire, 7 carbon linker
+C[C@H]1C[C@@H](CC[C@H]1C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)C(=O)O	R7V	(1r,3s,4r)-4-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid
+CC(=O)N[C@@H]1C[C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)CN)O	R7Y	(1s,2s,3r,4s,6r)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-d-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-d-glucopyranoside
+CCC[C@H]([C@H](c1cccc(c1C)F)O)NC(=O)c2cccc3c2CC(=O)N3	R7Z	~{n}-[(1~{s},2~{r})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide
+Cc1c(cccc1NC(=O)c2ccc(cn2)CNCCO)c3cccc(c3C)NC(=O)c4ccc(cn4)CNCCO	R81	n,n'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide)
+C[C@@H]1Cc2ccccc2N1S(=O)(=O)c3cc(c(cc3OC)OC)NC(=O)C	R82	n-(2,4-dimethoxy-5-{[(2r)-2-methyl-2,3-dihydro-1h-indol-1-yl]sulfonyl}phenyl)acetamide
+CC(=O)Nc1cc(c(cc1OC)OC)S(=O)(=O)NCc2ccccc2N3CCCCC3	R83	n-{2,4-dimethoxy-5-[(2-piperidin-1-ylbenzyl)sulfamoyl]phenyl}acetamide
+COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)NCc2ccccc2N3CCC(CC3)COC(=O)CCC(=O)O)OC	R84	4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid
+Cn1cc(cn1)c2cc(c(cc2N3CCC(CC3)N(C)C)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	R85	5-chloranyl-~{n}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{n}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
+Cc1cc(nc(n1)n2ccnc2)N3CCN([C@@H](C3)CC(=O)NCCc4ccc(cc4)OC)C(=O)C(C)C	R86	2-{(2r)-4-[2-(1h-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-isobutyrylpiperazin-2-yl}-n-[2-(4-methoxyphenyl)ethyl]acetamide
+C[N@@](C\C=C\COc1ccc(cc1)C(=O)c2ccc(cc2)Br)C3CC3	R88	(4-bromophenyl)[4-({(2e)-4-[cyclopropyl(methyl)amino]but-2-enyl}oxy)phenyl]methanone
+c1cc(c(nc1)N)CO	R8A	(2-aminopyridin-3-yl)methanol
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2ccc3ccc(cc3n2)C(=O)O)O	R8B	methyl 3-o-((7-carboxy) quinolin-2-yl)-methyl)-beta-d-galactopyranoside
+C[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F	R8C	2,2,2-trifluoro-n-[(1r,2s)-1-{[1-(4-fluorophenyl)-1h-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide
+c1cc2c(n[nH]c2nc1)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl	R8D	3-chloro-5-[2-chloro-5-(1h-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile
+c1cc(c(cc1OCc2c3ccc(nc3[nH]n2)N)Oc4cc(cc(c4)Cl)C#N)Cl	R8E	3-{5-[(6-amino-1h-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile
+CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCN(CC6)C)NCCCN7CCN(CC7)C)CCCN8CCN(CC8)C	R8G	2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
+c1ccc(cc1)C[C@H]([C@@H](C(=O)NCc2ccccn2)O)NC(=O)[C@H]3CCC(=O)N3Cc4ccccc4	R8H	(2~{r})-5-oxidanylidene-~{n}-[(2~{r},3~{s})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide
+c1cc(ncc1C(=O)O)N2C(=O)C(=CN2)n3ccnn3	R8J	6-(5-oxo-4-(1h-1,2,3-triazol-1-yl)-2,5-dihydro-1h-pyrazol-1-yl)nicotinic acid
+CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCO)F)F	R8N	2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{n}-methyl-benzenesulfonamide
+C[C@@H](c1ccc(cc1)[N+](=O)[O-])O	R8P	(1s)-1-(4-nitrophenyl)ethan-1-ol
+CCCSc1c(c(c(c(c1F)F)S(=O)(=O)NC)F)F	R8Q	2,3,5,6-tetrakis(fluoranyl)-~{n}-methyl-4-propylsulfanyl-benzenesulfonamide
+COc1ccnc(n1)NN	R8S	2-hydrazinyl-4-methoxypyrimidine
+CC(=O)N[C@H]1[C@@H](CC(C[C@@H]1O)C(=O)O)[C@@H]([C@@H](CO)O)O	R8T	(3~{s},4~{s},5~{r})-4-acetamido-3-oxidanyl-5-[(1~{s},2~{r})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid
+CN1[C@H](c2ccccc2C1=O)O	R8V	(3s)-3-hydroxy-2-methyl-2,3-dihydro-1h-isoindol-1-one
+CC(C)c1cccc2c1[nH]c(c2c3ccc(cc3)Cn4cncn4)C(=O)O	R8W	7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{h}-indole-2-carboxylic acid
+CCN(CCC(=O)O)C(=O)c1cccs1	R8Y	n-ethyl-n-(thiophene-2-carbonyl)-beta-alanine
+CC(C)CC(=O)c1ccc(c(c1)O[C@@H]2CCOC2)OC(F)F	R91	1-[4-(difluoromethoxy)-3-{[(3r)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one
+C[C@@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl	R92	4-chloranyl-~{n}-[(1~{s})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide
+Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc(cc4)c5ccccc5O)Cl	R93	5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1h-benzimidazol-2-yl]oxy}-n-hydroxy-2-methylbenzamide
+c1cc(ccc1C(=O)c2cc(ccc2O)N3CCCCC3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5	R94	n-(4-{[4-(2-hydroxy-5-piperidin-1-ylbenzoyl)benzoyl]amino}azepan-3-yl)isonicotinamide
+CC1(CCCN(C1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C	R96	n-[4-({4-[5-(3,3-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide
+Cc1csc(n1)Cc2ccccn2	R97	2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine
+CC(C)CCNC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)O)O	R99	n-[3-carboxy-2-hydroxy-propionyl]-d-homophenylalanyl-amino-2-methylbutane
+CN(C)c1cccc(c1)OCCCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R9A	ruthenium wire, 9 carbon linker
+c1ccc(cc1)C[C@@H](C(=O)NCC2=CC(=O)Nc3c2cc(cc3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O	R9B	n-[(1s)-1-benzyl-2-[(6-chloro-2-oxo-1h-quinolin-4-yl)methylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carbo
+COc1cccc(c1)C(=O)N2CCCC2	R9G	(3-methoxyphenyl)(pyrrolidin-1-yl)methanone
+Cc1ccc(cc1)NC(C)(C)C(=O)O	R9J	2-methyl-n-(4-methylphenyl)-l-alanine
+Cc1cccc2c1[nH]c(c2c3ccccc3Cl)C(=O)O	R9K	3-(2-chlorophenyl)-7-methyl-1~{h}-indole-2-carboxylic acid
+c1csc(n1)CCC(=O)O	R9M	3-(1,3-thiazol-2-yl)propanoic acid
+c1cc(c(cc1NCC2CCNCC2)Cl)C3=Nc4c5cc(ccc5oc4C(=O)N3)Br	R9P	8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3h)-one
+CN1C[C@H](Oc2ccccc2C1=O)c3cccc(c3)C#N	R9Q	3-[(2~{r})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile
+Cc1ccccc1CC(=O)N	R9S	2-(2-methylphenyl)acetamide
+COc1ccc(cc1OC)C[C@@H]2c3cc(c(cc3CCN2)OC)OC	R9T	(1~{r})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
+c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(C3)O	R9V	(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
+C1CCc2c(c(c3c(n2)CCC3)N)C1	R9W	2,3,5,6,7,8-hexahydro-1~{h}-cyclopenta[b]quinolin-9-amine
+CN1CCCc2c1ccc(c2)CN	R9Y	1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
+CCN(c1cccc(c1)CCC(=O)O)c2ccc3ccccc3n2	RA0	3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid
+c1cc(ccc1NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])S(=O)(=O)N	RA1	2-chloranyl-4-nitro-~{n}-(4-sulfamoylphenyl)benzamide
+CCC(CC)Nc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O	RA2	1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5'-di(hydroxymethyl)pyrrolidin-2-one
+[H]/N=C(\N)/NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)[N+](=O)[O-]	RA4	n-(4-nitrobenzoyl)-l-leucyl-n-(4-{[amino(imino)methyl]amino}butyl)-l-prolinamide
+COc1cccc2c1OC(=O)C(=C2)C(=O)Nc3ccc(cc3)S(=O)(=O)N	RA5	8-methoxy-2-oxidanylidene-~{n}-(4-sulfamoylphenyl)chromene-3-carboxamide
+c1c(sc(n1)N2CCOCC2)CO	RA7	[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
+[H]/N=C(/N)\NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NS(=O)(=O)Cc2ccccc2	RA8	n-(benzylsulfonyl)-l-leucyl-n-(4-{[amino(imino)methyl]amino}butyl)-l-prolinamide
+c1cc(ccc1NC(=O)CSc2nnc(s2)N)S(=O)(=O)N	RA9	2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{n}-(4-sulfamoylphenyl)ethanamide
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O	RAA	alpha-rhamnose
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	RAB	2-(6-amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O	RAC	4-(2-dimethylcarbamoyl-phenylcarbamoyloxymethyl)-benzoic acid
+CCO[C@H]\1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C1\C)C)C)OC)O)\C)C)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C	RAD	c49-methyl rapamycin
+C[C@H]1[C@@H]([C@H](C[C@@H](O1)O)O)O	RAE	alpha-l-olivopyranose
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O	RAF	raffinose
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O	RAH	[(2~{s},3~{s},4~{s},5~{r})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid
+c1cc(c(cc1C(=O)O)NC(=N)N)N2C(=O)CCC2(CO)CO	RAI	1-(4-carboxy-2-guanidinopentyl)-5,5'-di(hydroxymethyl)pyrrolidin-2-one
+Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CCCN(C)C	RAJ	n-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide
+CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCN)F)F	RAK	4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{n}-methyl-benzenesulfonamide
+c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O	RAL	raloxifene
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O	RAM	alpha-l-rhamnopyranose
+CC(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O	RAN	phosphoric acid mono-[3,4,6-trihydroxy-5-(1-hydroxy-ethylamino)-tetrahydro-pyran-2-ylmethyl] ester
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC)O)O)O	RAO	methyl 6-deoxy-alpha-l-rhamnopyranoside
+C[C@@H]1CC[C@H]2C[C@@H](C(=CC=C\C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC	RAP	rapamycin immunosuppressant drug
+CCC[C@H]1c2ccccc2C=NN1C(=O)\C=C\c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	RAR	5-(3,4-dimethoxy-5-{(1e)-3-oxo-3-[(1s)-1-propylphthalazin-2(1h)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine
+C=CCN[C@@H]1CCc2c1cccc2	RAS	(1r)-n-(prop-2-en-1-yl)-2,3-dihydro-1h-inden-1-amine
+C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O	RAT	d-arabinaric acid
+C#CCN[C@@H]1CCc2c1cccc2	RAU	rasagiline
+CCC[C@H](C)C1(C(=O)NC(=O)NC1=O)CC	RAV	5-ethyl-5-[(2s)-pentan-2-yl]pyrimidine-2,4,6(1h,3h,5h)-trione
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C	RAW	beta,beta-caroten-4-one
+Cc1ccccc1.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl	RAX	dichloro[(1,2,3,4,5,6-eta)-6-methylbenzene]1,3,5-triaza-7lambda~5~-phosphatricyclo[3.3.1.1~3,7~]dec-7-ylruthenium
+COCCOCC(=O)Nc1cccc(c1)F	RAY	n-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide
+CC1=CC[C@H](CC1)[NH+](C)CCC=C(C)C	RAZ	(1r)-n,4-dimethyl-n-(4-methylpent-3-enyl)cyclohex-3-enaminium
+[Rb+]	RB	rubidium ion
+C([C@H](C([C@H](CO)O)O)O)O	RB0	d-ribitol
+CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)O)c(ncn2)N	RB1	3-[(4-amino-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenol
+COC(C1CC(CCC1NC(C(O)O)O)Cl)O	RB2	2-({4-chloro-2-[hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol
+C[C@H](CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(=O)OC)O	RB3	(1r)-3-{[(1r)-3-methoxy-1-methyl-3-oxopropyl]oxy}-1-methyl-3-oxopropyl (3r)-3-hydroxybutanoate
+CCOC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4	RB4	ethyl 2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxylate
+C([C@H]([C@H]([C@H](C=O)O)O)O)O	RB5	d-ribose
+C1CNC[C@@H]1N2CC=C(C2=O)CC3=C(N[C@H](SC3)[C@@H](C=O)NC(=O)/C(=N\O)/c4nc(sn4)N)C(=O)O	RB6	(2r)-2-[(1r)-1-{[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3r)-pyr rolidin-3-yl]-2,5-dihydro-1h-pyrrol-3-yl}methyl)-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1cc(ccc1Br)CNCCS(=O)(=O)C	RB7	n-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)S(=O)(=O)O	RB8	6-deoxy-6-sulfo-d-fructose
+c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CNCCc3c[nH]c4c3cccc4)c5ccccc5	RB9	n-benzyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide
+COC[C@@H]1CNC[C@@H]([C@H]1c2ccc(cc2)COC(=O)c3ccccc3Cl)OCc4ccc5ccccc5c4	RBC	4-[(4r,5r)-3-(methoxymethyl)-5-(2-naphthylmethoxy)piperidin-4-yl]benzyl 2-chlorobenzoate
+c1nc2c(c(n1)N3C[C@H]([C@@H](C3)O)O)ncn2[C@H]4C[C@@H]([C@H](O4)COP(O)(O)O)O	RBD	(r,r)-n6,n6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate
+c1ccc(cc1)C(=O)O[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)[O-])[NH2+]3	RBE	3-(benzoyloxy)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	RBF	riboflavin
+CC(C)(C)NC(=O)[C@H]1CCCCN1	RBG	(2r)-n-tert-butylpiperidine-2-carboxamide
+CNCc1ccc(cc1)O	RBJ	4-[(methylamino)methyl]phenol
+C([C@H]([C@H](C(=O)CO)O)O)O	RBL	d-ribulose
+[CH]12=[CH]3[Ru]1456([CH]2=[CH]4[CH]5=[CH]63)(Cl)Cl	RBN	benzeneruthenium(ii) chloride
+c1ccc2cc(ccc2c1)CO[C@H]3CNCC[C@@H]3c4ccc(cc4)Br	RBP	(3r,4r)-4-(4-bromophenyl)-3-(2-naphthylmethoxy)piperidine
+CC(C)OCCN1[C@@H](CCN2C1=NC(=CC2=O)N3CCOCC3)C(F)(F)F	RBQ	(8s)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one
+C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccccc3	RBS	n-(4-phenylamino-quinazolin-6-yl)-acrylamide
+Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](\C=C\C=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O	RBT	rifabutin
+c1ccnc(c1)C2=[N](C=CC=C2)[Ru]([N]3=CNC=C3)[N]4=C(C=CC=C4)c5ccccn5	RBU	ruthemium bis(2,2'-bipyridine)-2-imidazole
+c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	RBV	1-(beta-d-ribofuranosyl)-1h-1,2,4-triazole-3-carboxamide
+CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O	RBW	3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{h}-indole-2-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OCC4C([C@H]([C@@H](O4)O)O)O)O)O)O)N	RBY	methylene adp-beta-xylose
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	RBZ	alpha-ribazole-5'-phosphate
+Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc(cc3)Cl)Cl)C	RC0	5-chloranyl-~{n}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
+C[C@@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O	RC1	[3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid
+c1cc(cc(c1)NC(=O)CN)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4	RC2	n-{3-[5-oxo-7-(piperazin-1-yl)-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide
+[B-]1(c2cc(ccc2CO1)NC(=O)Nc3cc(ccc3OC)C)(O)O	RC4	1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea
+CN(C(=O)C[C@@H](CCCc1ccccc1)CP(=O)(O)O)O	RC5	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O	RC7	2-[(4z)-4-[(4-hydroxyphenyl)methylidene]-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4	RC8	(2r)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9h-purin-2-yl}amino)butan-1-ol
+CC1=C(NC(=O)NC1=O)C[C@@]2([C@@H](NC(=O)NC2=O)CO)C	RCA	6-{[4-(hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-yl]methyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O	RCB	4-nitrophenyl beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranoside
+CCc1c(c([nH]c1Cc2c(c3c([nH]2)/C(=C\4/[C@H]([C@@H](C(=N4)/C=C\5/C(=C(C(=O)N5)C=C)C)C)CCC(=O)O)/[C@H](C3=O)C(=O)OC)C)C=O)C	RCC	3-{(2z,3s,4s)-5-[(z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2h-pyrrol-2-ylidene)methyl]-2-[(5r)-2-[(3-ethyl-5-formyl-4-methyl-1h-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1h)-ylidene]-4-methyl-3,4-dihydro-2h-pyrrol-3-yl}propanoic acid
+C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O	RCD	gamma-cyclodextrin
+C[C@@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	RCE	1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-beta-d-gulofuranosyl}pyrimidine-2,4(1h,3h)-dione
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F)C#N	RCF	(2r)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid
+CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(c3c(cc(cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5	RCG	(1r,2r,3s,3ar,8bs)-6,8-dimethoxy-3a-(4-methoxyphenyl)-n,n-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1h-cyclopenta[b][1]benzofuran-2-carboxamide
+Cc1cc(cc(n1)C#Cc2ccc3c(c2)oc4c3C(=O)c5ccc(cc5C4(C)C)NS(=O)(=O)C)C(=O)NC(C)(C)C	RCH	n-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide
+C[C@H](C(=O)O)Cl	RCI	(r)-2-chloropropionic acid
+CC(=O)N[C@H]([C@H](C[C@@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	RCJ	(2~{s},4~{s},5~{r},6~{r},7~{s},8~{r})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid
+c1ccc(cc1)CCn2c3c(cn2)c(nc(n3)SCN4CCOCC4)NCc5ccccc5F	RCK	~{n}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
+CCCCCC[C@H](C\C=C\CCCCCCCC(=O)O)O	RCL	ricinoleic acid
+CN1C(=O)[C@H](NC1=O)Cc2c[nH]c3c2cccc3Cl	RCM	(5r)-5-[(7-chloro-1h-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
+c1cc(c(cc1Cl)c2cn[nH]n2)N	RCN	4-chloranyl-2-(2~{h}-1,2,3-triazol-4-yl)aniline
+c1cc(cc(c1)O)O	RCO	resorcinol
+c1ccc2c(c1)cc3ccccc3c2C(=O)N4CCC(CC4)[N@]5CCC[C@H](C5)C(=O)N6CCOCC6	RCP	(3r)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine
+c1cc(c(cc1Cl)c2[nH]ncn2)N	RCQ	4-chloranyl-2-(1~{h}-1,2,4-triazol-5-yl)aniline
+c1cc(ccc1CNC(=O)C23[CH]4=[CH]5[Re]426([CH]5=[CH]63)(C#O)(C#O)C#O)S(=O)(=O)N	RCS	triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide rhenium(i)
+COC(=O)COc1cccc(c1)CN	RCV	methyl [3-(aminomethyl)phenoxy]acetate
+c1cc(c(cc1Br)c2[nH]cnn2)N	RCW	4-bromanyl-2-(4~{h}-1,2,4-triazol-3-yl)aniline
+CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	RCX	rofecoxib
+CC1(C[C@H](C(N1[O])(C)C)N2C(=O)CCC2=O)C	RCY	(3'r)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione
+c1cc2c(cc1Cl)nc3c(n2)C4=C5C6=[N](C=CC=C36)[Ru+2]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81	RCZ	ru(tap)2(cl-dppz) complex
+c1cc2c(ccn2CCC3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6	RD0	1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole
+c1cc(cc2c1cc(cc2)OP(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O	RD1	{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid)
+c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=O)(O)O	RD2	[(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)
+c1cc(ccc1C(P(=O)(O)O)P(=O)(O)O)OP(=O)(O)O	RD3	{[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid)
+[H]/N=C(\c1cccc(c1)OCC)/N	RD4	3-ethoxybenzene-1-carboximidamide
+c1cc2c(ccn2CCN3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6	RD7	1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]nn4	RD8	radezolid
+COc1cc(c(cc1O)NC(=O)CCc2c(c(cc(c2Cl)O)O)C(=O)OC)O	RDA	methyl 3-chloro-2-{3-[(2,5-dihydroxy-4-methoxyphenyl)amino]-3-oxopropyl}-4,6-dihydroxybenzoate
+C[C@@H]1C[C@@H]2[C@H](O2)\C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1	RDC	radicicol
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)O	RDD	1-beta-d-ribofuranosyl-1,3,5-triazinane-2,4,6-trione
+COc1cc(c(c(c1OC)CCOC(=O)c2cc(c(cc2O)O)Cl)OC)N	RDE	2-(3-amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O	RDF	n-alpha-l-rhamnopyranosyloxy(hydroxyphosphinyl)-l-leucyl-l-tryptophan
+c1cc(oc1)CNC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2	RDG	2'-deoxy-n-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate)
+C=C(C(=O)O)Oc1cccc(c1)C(=O)O	RDH	3-[(1-carboxyvinyl)oxy]benzoic acid
+C[C@@H]1C[C@@H]2[C@H](O2)CCCCC(=O)CC3C(C(=O)CC(=O)C3Cl)C(=O)O1	RDI	radicicol
+CCNC(=O)CSc1nnc(o1)C(C)C	RDJ	n-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
+C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O	RDL	6,7-dioxo-5h-8-ribitylaminolumazine
+CC(=O)N[C@H](CCc1ccccc1)C(=O)O	RDM	(2r)-2-(acetylamino)-4-phenylbutanoic acid
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O	RDP	alpha-d-ribose-1-phosphate
+c1cc(cc2c1cc(s2)S(=O)(=O)[N@]3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO)Cl	RDR	4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-1-{[1-(2-hydroxyethyl)-1h-pyrrolo[3,2-c]pyridin-2-yl]methyl}piperazin-2-one
+CC[C@@H](C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N	RDS	6-sec-butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine
+C[C@@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC	RDT	(1r)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1h)-sulfonamide
+C1CCC(C1)CCC(=O)N2CCNCC2	RDV	3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
+C[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1	RDY	n-[(benzyloxy)carbonyl]-n-methyl-l-alanine
+CC(=CCC/C(=C/COP(=O)(O)O)/C)C	RDZ	geranyl phosphate
+[Re]	RE	rhenium
+c1ccc2c(c1)[C@@](C(=O)N2)(C[C@@H](C(=O)O)N)O	RE0	3-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine
+C[C@@H](NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])[P@](=O)(O)[O-]	RE1	glycyl-l-a-aminopimelyl-e-(d-2-aminoethyl)phosphonate
+c1cc(ccc1CCc2cc(cc(c2)O)O)O	RE2	5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol
+c1ccc2c(c1)[C@](C(=O)N2)(C[C@@H](C(=O)O)N)O	RE3	3-[(3s)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine
+Cc1cc(nc(n1)N)NCc2cccnc2	RE4	6-methyl-n~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
+C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	RE5	l-glutamate tenofovir
+C[C@H](c1ccc(cc1)F)NCCn2cccn2	RE7	(1r)-1-(4-fluorophenyl)-n-[2-(1h-pyrazol-1-yl)ethyl]ethan-1-amine
+c1ccc2c(c1)ccc(c2/N=N/c3ccc(c4c3cccc4)S(=O)(=O)O)O	RE8	4-[(e)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
+C\C(=C/C(=O)O)\C=C\C[C@@]1(CC2=C(C1=C)CCCC2(C)C)C	RE9	6-(2,3,4,5,6,7-hexahydro-2,4,4-trimethyl-1-metyleneinden-2-yl)-3-methylhexa-2,4-dienoic acid
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	REA	retinoic acid
+c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc([nH]n3)C4CC4	REB	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N	REC	cephalosporin
+C(CCC(=O)O)C[C@H](CCS)S	RED	dihydrolipoic acid
+C[N+](C)(C)NCCC(=O)O	REE	2-(2-carboxyethyl)-1,1,1-trimethyldiazanium
+c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O	REF	2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione
+C1CCC(C1)NC(=O)NC[C@@H]2CCCO2	REG	1-cyclopentyl-3-[[(2~{s})-oxolan-2-yl]methyl]urea
+C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2]	REI	tricarbonyl (aqua) (imidazole) rhenium(i)
+C([C@H]1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O	REJ	tricarbonyl (l-serine) rhenium(i)
+C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@H](CC(=O)O)C(=O)O)O	REK	d-aspartate tenofovir
+C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O	REL	d-glucuronic acid
+CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](C4CC4)O)O	REM	nalpha-[(2s)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-n-[(1s,2r,3s)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-l-histidinamide
+C[N@@]1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)OC)O)OC	REN	(s)-reticuline
+[O-][Re](=O)(=O)=O	REO	perrhenate
+C1=C[N]2=C3C(=C1)C=CC4=CC=C[N](=C43)[Re]2(C#O)(C#O)C#O	REP	(1,10 phenanthroline)-(tri-carbon monoxide) rhenium (i)
+CC1=C2C=CC3=C4C2=[N](C=C1)[Re]([N]4=CC=C3C)(C#O)(C#O)C#O	REQ	(1,10 phenanthroline)-(tri-carbon monoxide) rhenium (i)
+C[C@H]1[C@H]([C@@](C[C@@H](O1)O)(C)N)O	RER	vancosamine
+C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O	RES	4-phospho-d-erythronohydroxamic acid
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C	RET	retinal
+CC[C@@H](c1ccccc1)c2cc(c(c(c2O)OC)OC)O	REV	2,3-dimethoxy-5-[(1s)-1-phenylpropyl]benzene-1,4-diol
+Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)C[C@H]4[C@H](N(C4=O)c5ccc(cc5)OC)C(=O)O	REW	(2s,3s)-1-(4-methoxyphenyl)-3-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-4-oxoazetidine-2-carboxylic acid
+C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+]	REX	glycyl-l-alpha-amino-epsilon-pimelyl-d-alanyl-d-alanine
+C[C@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+]	REY	glycyl-l-alpha-amino-epsilon-pimelyl-d-alanine
+C[C@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N	REZ	(2r)-2-amino-7-{[(1r)-1-carboxyethyl]amino}-7-oxoheptanoic acid
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)c3cccs3	RF1	tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
+c1ccc(cc1)c2[nH]c(nn2)c3ccc(cc3)F	RF2	3-(4-fluorophenyl)-5-phenyl-4h-1,2,4-triazole
+c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4	RF3	1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
+Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C	RF4	(2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1h-benzimidazol-1-yl)acetic acid
+C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)OP(=O)(O)O	RF5	2-deoxy-2-fluoro-5-o-phosphono-alpha-d-arabinofuranose
+CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O	RF7	{(2r)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid
+C(CCCCCCCC(=O)O)CCCCCCC(=O)O	RF8	hexadecanedioic acid
+C[C@H](C(=O)O)NCCCC[C@@H](C(=O)O)N	RF9	n~6~-[(1r)-1-carboxyethyl]-l-lysine
+CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F	RFA	delta-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c2-adamantane ruthenium (ii)
+CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F	RFB	lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c2-adamantane ruthenium (ii)
+CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O	RFC	(r)-ibuprofenoyl-coenzyme a
+C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@@H](CCSC)C(=O)O)O	RFE	l-methionine tenofovir
+CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cn(nc3OC)c4cnccn4	RFG	3-methoxy-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1h-pyrazole-4-carboxamide
+Cc1c(c2c(c3c1O[C@](C3=O)(C)O/C=C/[C@@H]([C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C@H]([C@@H](C)/C=C/C=C(\C)/C(=O)N)O)O)OC(=O)C)OC)C(=O)C(=C(C2=O)O)C=NN4CCN(CC4)C)O	RFH	(1e,3s,4r,5s,6r,7r,8r,9s,10s,11e,13e)-15-amino-1-{[(2s)-5,7-dihydroxy-2,4-dimethyl-8-{(e)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=S)(O)O)O	RFJ	2'-o-methyl-5'-o-thiophosphonoguanosine
+Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	RFL	8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide
+c1ccc(cc1)C(=O)Nc2ccc(cc2)N(Cc3ccsc3)C(=O)Cn4c5ccccc5nn4	RFM	n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide
+C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O)C	RFN	(2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2h)-yl)butanamide
+Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CCN(CC5)C)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O	RFP	rifampicin
+[H]/N=C(/c1cccs1)\Nc2cccc(c2)[C@@H](COc3cccc(c3)[N]/C(=N\[H])/c4cccs4)O	RFQ	n-{3-[(1s)-2-(3-{(z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)Br	RFS	br-paroxetine
+CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O	RFT	butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate
+Cc1c(c2c3c(cc(c2O)NC(=O)C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4([C@@H](c3c1O4)O)C)OC)C)OC(=O)C)C)O)C)O)C)C)O)O	RFV	rifamycin sv
+CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O	RFW	n-acetyl-d-glucosamine-6-phosphate
+CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F	RFX	(3r)-n-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)I	RFY	i-paroxetine
+c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	RFZ	5,6-dichloro-1-beta-d-ribofuranosyl-1h-benzimidazole
+CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C	RG1	rhodopin b-d-glucoside
+c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)Cl	RG2	3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@@H](CC#N)C4CCCC4	RG4	(3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+C[C@@H](C(F)(F)F)NS(=O)(=O)c1ccc(c(c1Cl)Cl)c2c(nc(s2)C(=O)NCC(C)(C)O)C(=O)N3CCC(CC3)F	RG7	5-(2,3-dichloro-4-{[(2s)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-n-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
+C[C@H]1/C=C/[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](/C=C/[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)/C)OC)C)OC)OC	RGA	reidispongiolide a
+C[C@H]1\C=C\[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](\C=C\[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC(=O)O)OC)OC)/C)OC)C)OC)OC	RGC	reidispongiolide c
+C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(C2)CCO)CO	RGD	cyclobutyl[(2s,3as,6as)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5h-furo[2,3-c]pyrrol-5-yl]methanone
+[H]/N=C(\CS(=O)C)/NCCC[C@@H](C(=O)O)N	RGE	(2s)-2-amino-5-(2-(methylsulfinyl)acetimidamido)pentanoic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](CO)O)O)O)O)O	RGG	(2r)-2,3-dihydroxypropyl beta-d-galactopyranoside
+CNC(=O)O	RGI	methylcarbamic acid
+CNC(=O)c1cnc2cc(c(cc2c1Nc3ccc(cc3F)Cl)OC)OC	RGJ	4-(4-chloro-2-fluoro-anilino)-6,7-dimethoxy-n-methyl-quinoline-3-carboxamide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N	RGK	2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one
+C(C[C@@H](C=O)N)CNC(=[NH2+])N	RGL	arginal
+CC(=O)N1C[C@@H]2C[C@H]3c4c[nH]cc4C(=O)[C@]2(C1)N3C	RGM	(3as,8s,9as)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1h)-one
+C1[C@H]([C@@H](CC1(F)F)O)O	RGN	(1~{r},2~{r})-4,4-bis(fluoranyl)cyclopentane-1,2-diol
+C(CC(=O)OP(=O)(O)O)[C@H](C(=O)O)N	RGP	gamma-glutamyl phosphate
+C(CNC(=O)[C@@H](CSSC[C@H](C(=O)NCC[C@@H](C(=O)O)N)NC(=O)CC(=O)O)NC(=O)CC(=O)O)[C@@H](C(=O)O)N	RGS	4n-malonyl-cysteinyl-2,4-diaminobutyrate disulfide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)nc(nc2O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N	RGT	2-amino-9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-ribofuranosyl}-9h-purin-6-yl 5-o-phosphono-beta-d-ribofuranoside
+CN1[C@H]2C[C@@H]3[C@]1(CN(C3)C=O)C(=O)c4c2c[nH]c4	RGV	(3as,8s,9as)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3h)-carbaldehyde
+Cc1c(sc-2c1[C@H](N[C@H](c3n2c(nn3)C)CC(=O)NCC45CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C	RGW	~{n}-(1-adamantylmethyl)-2-[(7~{r},9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
+Cc1c2c(on1)[C@@H]3C[C@H]4CNC[C@@]4([C@@H]2O)N3C	RGY	(4r,4as,7as,9s)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
+CN(CCOc1ccc(cc1)C[C@@H]2C(=O)NC(=O)S2)c3ccccn3	RGZ	(r)-rosiglitazone
+[Rh+]	RH	rhodium
+c1ccc(cc1)CSC[C@H]([C@H](CC(=O)O)N)O	RH0	3-amino-5-s-benzyl-2,3-dideoxy-5-thio-d-erythro-pentonic acid
+CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3	RH1	2,5-diaziridin-1-yl-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione
+c1cc(cnc1)c2ccc(s2)CN[C@@H](CCCCN)C(=O)N	RH2	n~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-l-lysinamide
+[Rh+3]	RH3	rhodium(iii) ion
+COC(=O)[C@H](Cc1ccco1)c2ccncc2	RH4	methyl (2r)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate
+[H]/N=C(/c1ccc(cc1OCc2cccnc2)[C@H]3Cc4ccccc4B(O3)O)\N	RH5	4-[(3~{r})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
+COC(=O)N1C[C@@H]2C[C@H]3c4c(nccn4)C[C@]2(C1)O3	RH7	methyl (5as,8as,10s)-8,8a,9,10-tetrahydro-5h-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6h)-carboxylate
+CN1CCN(CC1)c2ccc(cc2F)Nc3nccc(n3)c4cnn5c4cccn5	RH8	~{n}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+C[C@@H](CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)[C@H](C[C@H]1C([C@H](Cc2nc(co2)[C@H](C\C=C\C=C\[C@@H](C[C@@H](CC(=O)O[C@H](C([C@H](Cc3nc(co3)[C@H](C\C=C\C=C\[C@@H](C[C@@H](CC(=O)O1)O)OC)OC)O)(C)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)OC)O)OC)OC)O)(C)C)OC	RH9	rhizopodin
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O	RHA	6-deoxy-1-o-phosphono-alpha-l-rhamnopyranose
+CCN(CC)c1ccc2c(c1)OC3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O	RHB	n-[9-(2-carboxyphenyl)-6-(diethylamino)-3h-xanthen-3-ylidene]-n-ethylethanaminium
+C(CSC[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)[C@@H](C(=O)O)N	RHC	(2s)-2-amino-4-[[(2s,3s,4r,5r)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
+[NH3][Rh+3]([NH3])([NH3])([NH3])([NH3])[NH3]	RHD	rhodium hexamine ion
+Cl[Re](Cl)(Cl)(Cl)(Cl)Cl	RHE	rhenium (iv) hexachloride
+C1CNC[C@@]23CN(C[C@@H]2C[C@@H]1O3)S(=O)(=O)C(F)(F)F	RHG	(3ar,8s,9as)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine
+Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(nc(c4)N)N	RHH	4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(C2)CO)CCO	RHJ	cyclobutyl[(2s,3as,6as)-2-(2-hydroxyethyl)-6a-(hydroxymethyl)hexahydro-5h-furo[2,3-c]pyrrol-5-yl]methanone
+CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N]3=CC=CC=C31	RHL	[n,n-di(pyridin-2-yl-kappan)dodecanamide]rhodium
+C[C@@H]1CNCC[N@@]2C[C@H](N[Rh+2]23(N1)N=C4c5ccccc5-c6ccccc6C4=N3)C	RHM	delta-alpha-rh[2r,9r-diamino-4,7-diazadecane]9,10-phenanthrenequinone diimine
+c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O	RHN	4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
+CN(C)c1ccc2c(c1)OC3=CC(=CCC3=C2c4ccc(cc4C(=O)O)N5C(=O)C=CC5=O)N(C)C	RHO	tetramethylrhodamine-5-maleimide
+C#CCN[C@@H]1CCc2c1cc(cc2)O	RHP	(3r)-3-(prop-2-ynylamino)indan-5-ol
+CCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]\CC)/C=C3O2)C)c4ccccc4C(=O)OCC	RHQ	rhodamine 6g
+CCC(CC)NC(=O)C[C@@H](C(=O)N)C(C)(C)C	RHS	3-(carboxyamide(2-carboxyamide-2-tertbutylethyl))pentan
+Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N	RHT	4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine
+Cn1c(nnc1S)C(F)(F)F	RHU	4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol
+CCOC(=O)CNC(=O)[C@H](C)c1cc(ccn1)C	RHV	ethyl n-[(2r)-2-(4-methylpyridin-2-yl)propanoyl]glycinate
+c1cc2c(cco2)cc1c3cc(nc(c3)N)N	RHW	4-(1-benzofuran-5-yl)pyridine-2,6-diamine
+c1ccc(cc1)[C@H]2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4[C@H](CO6)c7ccccc7	RHX	[2,6-bis(4-phenyl)-1,3-oxazolin-2-yl]rhodium(iii)
+CC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1)O3	RHY	1-[(4as,7as,9s)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5h)-yl]ethan-1-one
+COc1cc(ccc1Cl)c2ccnc(c2)N	RHZ	4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O	RI2	1,5-di-o-phosphono-alpha-d-ribofuranose
+CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C	RI5	(1ar,2ar,3s,6r,6as,8as,8br,9r)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3h)-dione
+CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)c2csc3c2ncnc3N)F	RI8	4-amino-n-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide
+CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)Nc2cc(ncn2)NCCO)F	RI9	n-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N	RIA	2'-o-[(5'-phospho)ribosyl]adenosine-5'-monophosphate
+C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O	RIB	alpha-d-ribofuranose
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	RIC	phosphoric acid mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-3,4-dihydroxy-tetrahydro-furan-2ylmethyl] ester
+CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)S(=O)(=O)N4CCOCC4	RID	(3r,5r)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1h-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
+CC(C)c1c(n(nc1C(=O)N(C)[C@H](C)c2ccccc2)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O	RIE	(3r,5r)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1r)-1-phenylethyl]carbamoyl}-1h-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid
+C[C@H]1\C=C\C=C(/C(=O)NC2=C(C3C(C4=C(C(=C3O)C)O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)COC(=O)CC5=CN(C=CC5)C)C)OC)C)C(=C2N6CCOCC6)O)O)\C	RIF	rifamycin cgp 4832
+CC1(OC[C@H](O1)CO[P@](=O)(CCCCC=C)O)C	RIL	[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate
+C[C@H](C12CC3CC(C1)CC(C3)C2)N	RIM	rimantadine
+C1CCCCCNC(=O)[C@H](CCCC1)N	RIN	3-amino-azacyclotridecan-2-one
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N	RIO	ribostamycin
+C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O	RIP	beta-d-ribopyranose
+CC12=C3([Ir]145C2(=C4(C53C)C)C)C	RIR	[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(iii)
+c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O	RIS	1-hydroxy-2-(3-pyridinyl)ethylidene bis-phosphonic acid
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O	RIT	ritonavir
+c1cc(ccc1N2CCOCC2=O)N3C[C@@H](OC3=O)CNC(=O)c4ccc(s4)Cl	RIV	5-chloro-n-({(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide
+[H]/N=C(\N)/N/C(=N\[H])/Nc1cc(ccc1Cl)C(F)(F)F	RJ1	n-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide
+c1cc2c(cco2)cc1c3ccnc(c3)N4CCNCC4	RJ2	1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine
+c1[nH]c2c(n1)[C@H]3C[C@@H]4CN(C[C@]4(C2)O3)C=O	RJ4	(4ar,7ar,9r)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5h)-carbaldehyde
+COc1ccc(cc1)c2ccnc(c2)N	RJ5	4-(4-methoxyphenyl)pyridin-2-amine
+[H]/N=C(\N)/N/C(=N/[H])/Nc1cc(cc(c1)OC)OC	RJ6	n-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide
+CCOC(=O)[C@H]([C@H](c1cccnc1)O)F	RJ7	ethyl (2s,3s)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate
+c1cc2c(cco2)cc1c3ccnc(c3)N	RJ8	4-(1-benzofuran-5-yl)pyridin-2-amine
+C/C=C/[C@H]1[C@H]([C@@H](C[C@@H](O1)[C@@H](/C=C/C=C(\C)/C[C@@H](C)/C=C(/C)\C=C\[C@@H](CCCC(=O)O)O)O)O)C	RJA	ratjadone a, bound form
+c1ccc2c(c1)CC(C2)(CC(=O)O)C(=O)NCc3nc4ccccc4s3	RJB	2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid
+C[C@H]1CN[C@](CN1C(=O)NCC2CC2)(C)C(=O)NC3CC3	RJD	(3s,6s)-n~3~-cyclopropyl-n~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide
+CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3	RJE	2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7h-purin-8-one
+c1ccc2c(c1)C[N@]3[C@H]4[C@@H]2CC(=O)[C@@]35CNC[C@H]5C4	RJG	(3ar,10r,10ar,11ar)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one
+Cc1cc2ncc(c(n2n1)N3CCOC[C@@H]3COC)NC(=O)Nc4ccc(c(c4)Cl)OC	RJH	1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{s})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea
+c1ccc(cc1)N2C(=O)[C@H](C(=O)NC2=O)C(=O)N	RJI	2,4,6-trioxo-1-phenyl-hexahydropyrimidine-5-carboxamide
+CC[C@@]1(CCN(CCN1)C)C(=O)NCc2ccccc2	RJJ	(5r)-n-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide
+c1cc(c(cc1NC(=O)N[C@@H]2Cc3cc(ccc3OC2)Br)Cl)n4cc(cn4)CN	RJK	1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{r})-6-bromanyl-3,4-dihydro-2~{h}-chromen-3-yl]urea
+c1ccc(cc1)COC(=O)NCc2ccc(cc2)C3=Nc4ccccc4C(=O)N3	RJN	benzyl n-{[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl}carbamate
+c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O	RJP	(1r,5r)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)N)C=C6	RJQ	(3~{s},7~{r},10~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide
+c1c(nnn1C[C@H]2[C@H](C[C@@H]([C@H]([C@@H]2O)O)O)O)CCCOCC34CC5CC(C3)CC(C5)C4	RJR	(1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
+CCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4	RJW	(1r,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
+CCOC(=O)c1csc(n1)C	RJY	ethyl 2-methyl-1,3-thiazole-4-carboxylate
+Cc1nc2ccc(nc2n1CCOc3cccc(n3)Br)c4cc(nc(c4)N)N	RJZ	4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+CC[C@@]1(CC=NCCN1CC)C(=O)NCc2ccccc2	RK1	(7r)-n-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1h-1,4-diazepine-7-carboxamide
+Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccn3)c4cc(nc(c4)N)N	RK2	4-[2-methyl-3-[(2~{r})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+c1cc(cc(c1)C(=O)O)CN2CCCCC2	RK4	3-[(piperidin-1-yl)methyl]benzoic acid
+Cc1c(oc2c1cc(cc2)c3cc(nc(c3)N)N)C	RK5	4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
+CCOC(=O)[C@@H]([C@H](c1ccc(cn1)Br)O)F	RK7	ethyl (2r,3s)-3-(5-bromopyridin-2-yl)-2-fluoro-3-hydroxypropanoate
+Cc1nc2ccc(nc2n1C[C@H](C)Oc3cccc(n3)Br)c4cc(nc(c4)N)N	RK8	4-[3-[(2~{s})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+[H]/N=C(/c1ccccc1)\Nc2ccc(cc2)c3ccc([nH]3)c4ccc(cc4)N/C(=N/[H])/c5ccccc5	RKA	n,n'-(1h-pyrrole-2,5-diyldi-4,1-phenylene)dibenzenecarboximidamide
+c1cc(ccc1c2c[nH]nc2)[C@@](C[NH3+])(c3ccc(cc3)Cl)O	RKD	(2s)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1h-pyrazol-4-yl)phenyl]ethanaminium
+CN[C@]1(CCCCC1=O)c2ccccc2Cl	RKE	(r)-ketamine
+c1cc2c3c4c1N=CC=[N]4[Ru+2]56([N]3=CC=N2)([N]7=C8C(=CC=C7)c9c(nc1cc(c(cc1n9)F)F)C1=CC=C[N]5=C18)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]61	RKF	(11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+)
+COC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1)O3	RKG	methyl (4as,7as,9s)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5h)-carboxylate
+Cc1cc2cc(ccc2o1)c3cc(nc(c3)N)N	RKH	4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
+CCN1C[C@@H]2C[C@H]3c4c(c(no4)C)[C@H]([C@]2(C1)N3C)O	RKJ	(4r,4as,7as,9s)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
+CCCCc1nc2ccc(nc2n1CCCC)c3cc(nc(c3)N)N	RKK	4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
+c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru+2]578([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C=CC=C36	RKL	ru(tap)2(dppz) complex
+Cc1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81	RKM	(11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium
+C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2	RKN	(3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium
+c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81	RKP	lambda-ru(phen)2(dppz) complex
+Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N)N	RKQ	4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+CC(=O)N(CCCC[C@H](C(=O)N[C@@H](CCCCN(C(=O)C)O)C(=O)OC)NC(=O)c1cccc(c1O)O)O	RKS	methyl n~6~-acetyl-n~2~-[(2,3-dihydroxyphenyl)carbonyl]-n~6~-hydroxy-d-lysyl-n~6~-acetyl-n~6~-hydroxy-l-lysinate
+c1cc2c(c3c1nccn3)nccn2	RKT	pyrazino[2,3-f]quinoxaline
+Cn1c(cc(n1)c2ccco2)C(=O)O	RKV	3-(furan-2-yl)-1-methyl-1h-pyrazole-5-carboxylic acid
+CNCC(=O)Nc1cc(cc(n1)N)c2ccc3c(c2)cco3	RKW	~{n}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide
+c1cc2c(cc1C(=O)CCC(=O)O)OCCCO2	RKY	4-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
+Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccc3)c4cc(nc(c4)N)N	RKZ	4-[2-methyl-3-[(2~{r})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+c1ccc2c(c1)CCN(C2)C(=O)c3cc(c(cc3O)O)c4nnc5n4cc(cc5)Br	RL1	[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1h)-yl)methanone
+CC(C)CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)O)O	RL2	n-[3-carboxy-2-hydroxy-propionyl]-l-homophenylalanyl-amino-2-methylbutane
+CN1CCN(CC1)C(=O)c2cc(c(cc2O)O)c3nnc4n3cc(cc4)Br	RL3	[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone
+C[C@@H]1CCCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O	RL4	(5r,6s)-5-(4-{2-[(2r)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
+Cc1c(c[nH]c1C(=O)NC2CC2)Cc3ccc(cc3F)C(F)(F)F	RL7	n-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1h-pyrrole-2-carboxamide
+CCOC(=O)c1c(c(c([nH]1)C)Cc2ccc(cc2)C(F)(F)F)C	RLA	ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1h-pyrrole-2-carboxylate
+c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=CC=CC=[N]71)[N]1=CC=CC=C1C1=CC=CC=[N]81)C=CC=C36	RLB	lambda-[ru(bpy)2dppz]2+
+CN1C[C@H](CC1=O)c2ccccc2	RLG	(4r)-1-methyl-4-phenylpyrrolidin-2-one
+CCC(=O)Nc1nc(c(s1)c2csc(n2)Nc3ccc(cc3)C(=O)O)C	RLI	4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid
+C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O	RLJ	(2s)-3-(4-cyanophenoxy)-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
+CN(C)CCCS(=O)(=O)N1CCN(CC1)c2ccc(c(c2)NC(=O)c3coc(n3)N)Br	RLK	2-azanyl-~{n}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
+C[C@](COc1ccc(c2c1cccc2)C#N)(C(=O)Nc3ccc(c(c3)C(F)(F)F)C#N)O	RLL	(2s)-3-[(4-cyanonaphthalen-1-yl)oxy]-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
+c1cc(ccc1Nc2cc(c(c(c2)Cl)O)Cl)O	RLM	2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol
+C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O	RLP	3-(7-hydroxy-8-ribityllumazine-6-yl) propionic acid
+CN1C[C@H](CC1=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3	RLS	(4r)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
+Cc1nnc(o1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCc3ccc(cc3)F	RLT	n-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide
+CCCNS(=O)(=O)c1ccc(cc1)[C@H]2CC(=O)N(C2)C	RLV	4-[(3r)-1-methyl-5-oxopyrrolidin-3-yl]-n-propylbenzene-1-sulfonamide
+CC1(C(=NNC1=O)c2ccc(c(c2)OC3CCCC3)OC)C	RLW	3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{h}-pyrazol-5-one
+CCN(CC)S(=O)(=O)c1ccc(c(c1)c2ccc(c(c2)OC)OC)[C@@H]3CC(=O)N(C3)C	RLY	n,n-diethyl-3',4'-dimethoxy-6-[(3s)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide
+C[C@H]1CC/C=C(/C[C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](CC(=O)O1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCNC(=O)CCC(=O)Nc5cc(ccc5/N=N\c6cc(c(c(c6)OC)OC)OC)OC)C)\C	RLZ	~{n}-[4-[(4~{r},7~{r},10~{s},13~{s},15~{e},19~{s})-4-(4-hydroxyphenyl)-7-(1~{h}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetrakis(oxidanylidene)-1-oxa-5,8,11-triazacyclononadec-15-en-10-yl]butyl]-~{n}'-[5-methoxy-2-[(~{z})-(3,4,5-trimethoxyphenyl)diazenyl]phenyl]butanediamide
+c1cc(c(nc1CCCCCN2CCOCC2)/C=N/O)O	RM0	2-[(~{e})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol
+CN[C@@H]1CCc2c1cccc2	RM1	n-methyl-1(r)-aminoindan
+C=C\C=N\[C@@H]1CCc2c1cccc2O	RM2	4-hydroxy-n-propargyl-1(r)-aminoindan
+C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O	RM4	beta-l-rhamnopyranose
+CC(C)c1cc(cc(c1NC(=O)NS(=O)(=O)c2cc(co2)C(C)(C)O)C(C)C)Cl	RM5	1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea
+C1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)CC1	RM7	2-[(4-amino-6,7,8,9-tetrahydro-5h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(piperidin-1-yl)ethyl]acetamide
+Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4	RM8	2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1h-indole
+B1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)O	RM9	(1ar,7bs)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
+CN(CC#C)[C@@H]1CCc2c1cccc2	RMA	n-[(1s)-2,3-dihydro-1h-inden-1-yl]-n-methyl-n-prop-2-ynylamine
+Cc1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	RMB	n1-(5'-phospho-alpha-ribosyl)-5-methylbenzimidazole
+CC[C@H](CO)Nc1nc2c(c(n1)[N@@](C)Cc3ccccc3)ncn2C(C)C	RMC	(2r)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9h-purin-2-yl}amino)butan-1-ol
+C1CC2C3[Rh]245678(C1C4CC3)C9C5C6C7(C89)CCN1C(=O)CCC1=O	RMD	[(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium
+Cc1ccnc(c1)Nc2ccc(c(n2)NCCN3CCOCC3)[N+](=O)[O-]	RME	n6-(4-methylpyridin-2-yl)-n2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine
+C1CCc2c(sc3c2c(nc(n3)SCCCN4CCCCC4)N)CC1	RMG	2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
+C1CCN(CC1)CCNC(=O)CSc2nc(c3c4c(sc3n2)CCC4)N	RMJ	2-[(4-amino-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(piperidin-1-yl)ethyl]acetamide
+Cc1c(c(n[nH]1)C)c2ccc(cc2)NC(=O)[C@H](C(C3CC3)C4CC4)NC(=O)c5ccnn5C(C)C	RMK	~{n}-[(2~{s})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{h}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide
+	RML	(11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+)
+c1cc(cc(c1)c2c[nH]nc2)/C=C(\C#N)/C(=O)N	RMM	(2e)-2-cyano-3-[3-(1h-pyrazol-4-yl)phenyl]prop-2-enamide
+c1ccc(cc1)[C@H](C(=O)O)O	RMN	(r)-mandelic acid
+O[As]1O[Mo](=O)S1	RMO	[arsenothionito(2-)-kappa~2~o,s](oxo)molybdenum
+C[P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O	RMP	2'-deoxy-adenosine-5'-rp-monomethylphosphonate
+CC(C)[C@@H](C(=O)N[C@H](Cc1ccc(cc1)NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C(c3ccccc3)(F)F)CC(=O)O)NC(=O)COCCNC(=O)OC(C)(C)C	RMQ	(3~{r})-4-[4-[[(2~{s})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{s})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid
+COc1cc(cc(c1OC)OC)C(=O)NCCc2cccs2	RMR	3,4,5-trimethoxy-~{n}-(2-thiophen-2-ylethyl)benzamide
+C1CCN(CC1)CCCSc2nc(c3c4c(sc3n2)CCC4)N	RMS	2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CC(=C[C@H]2C(=O)O)C(=O)O)O	RMT	(3r,4e)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid
+CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCC3)N	RMV	2-[(4-amino-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(diethylamino)ethyl]acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@H](Cc4cc[n+](cc4)C)c5cccc6c5cccc6)O	RMW	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-2,2-dimethyl-4-[[3-[2-[(1~{r})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O	RMY	ethyl 3-o-[5-(acetylamino)-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranonosyl]-1-thio-beta-d-galactopyranoside
+Cc1ccc(cc1C)N2CCN(CC2)CC[C@H]3c4ccccc4C(=O)N3	RMZ	(3~{s})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
+c1ccc2c(c1)cccc2OC[C@@H](CO)O	RN1	(2r)-3-(naphthalen-1-yloxy)propane-1,2-diol
+CCCC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	RN2	calpeptin
+Cc1c2c(sc1C(=O)NCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C4=O)[C@H]5CCC(=O)NC5=O)-n6c(nnc6[C@@H](N=C2c7ccc(cc7)Cl)CC(=O)OC)C	RN3	methyl {(6s)-4-(4-chlorophenyl)-2-[(8-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}octyl)carbamoyl]-3,9-dimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl}acetate
+c1ccc(cc1)[C@H]2CCc3c(sc4c3c(nc(n4)SCCCN5CCCCC5)N)C2	RN4	(7s)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc5ccsc5c4	RN5	4-{(2s, 4r)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C	RN6	2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(8-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide
+C1CCc2c(c3c(nc(nc3s2)SCC(=O)NCCN4CCOCC4)N)C1	RN7	2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(morpholin-4-yl)ethyl]acetamide
+CCc1c(c(c(s1)C(=O)O)c2ccc(cc2)c3c(c(sc3C(=O)O)CC)C#N)C#N	RN8	3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid)
+Cc1ccc(cc1Cl)NC(=O)CCc2cccc(c2)NC3=CC(=O)N(C3=O)[C@H]4CCC(=O)NC4=O	RN9	3-[3-[[1-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{n}-(3-chloranyl-4-methyl-phenyl)propanamide
+Cc1ccc(cc1)S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(o3)C)S2	RNA	4-methyl-n-{(5e)-5-[(5-methyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CCC=C(C)C)O)C=O	RNB	3-chloro-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cccc5)N	RND	n-[1-(1h-indol-3-ylmethyl)piperidin-4-yl]-l-tryptophanamide
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CN)/C)/C	RNE	(2~{e},4~{e},6~{e},8~{e})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
+C1C[C@@H](N2C(=O)CCCC(=O)N2C1)CC=O	RNG	(6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepin-1-yl)-acetaldehyde fragment
+CCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O	RNH	(2r)-n-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
+C[C@H]1Cc2c(c3c(nc(nc3s2)SCCCN4CCCCC4)N)C=C1	RNJ	(7s)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl	RNK	4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one
+C[C@@H]1CCc2c(sc3c2c(nc(n3)SC[C@@H]4CCCN(C4)C)N)C1	RNM	(7r)-7-methyl-2-({[(3r)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+CC(C)S(=O)(=O)NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C	RNN	n,n'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide
+c1cc(ccc1[C@@H]2CO2)[N+](=O)[O-]	RNO	(r)-para-nitrostyrene oxide
+CC(C)N=C[C@H](COc1cccc2c1cccc2)O	RNP	(1e,2r)-1-(isopropylimino)-3-(1-naphthyloxy)propan-2-ol
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CC[N@@]4CC[C@H](C4)F)NC(=O)CC[N@@]5CC[C@H](C5)F	RNR	3,6-bis(3-(3'-(r)-fluoropyrrolindino)propionamido)acridine
+C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O	RNS	l-rhamnose
+C[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	RNT	l-rhamnitol
+CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCCC3)N	RNV	2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(diethylamino)ethyl]acetamide
+c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)NO	RNW	2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{n}-oxidanyl-ethanamide
+Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6	RNY	n-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
+CC(C)(C)C[NH2+]C[C@H]([C@H](Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3)O	RNZ	2,2-dimethylpropyl-[(2~{r},3~{s})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium
+COc1ccccc1C2CCN(CC2)Cc3cnc(c4c3cc(c(c4)OC)OC)Cc5ccc(c(c5)OC)OC	RO0	1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}isoquinoline
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1CC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)S(=O)(=O)C)NC(=O)COc4cccnc4	RO1	(3s,4as,8as)-n-(tert-butyl)-2-[(3s)-3-({3-(methylsulfonyl)-n-[(pyridin-3-yloxy)acetyl]-l-valyl}amino)-2-oxo-4-phenylbutyl]decahydroisoquinoline-3-carboxamide
+CN1CCN(CC1)c2ccc3c(n2)nc([nH]3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)O	RO2	3-[5-[5-(4-methyl-piperazin-1-yl)-1h-imidazo[4,5-b]pyridin-2-yl]-benzimidazol-2-yl]-phenol
+Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br	RO3	n-{[(2z)-5-bromo-1,3-thiazol-2(3h)-ylidene]carbamoyl}-4-methylbenzenesulfonamide
+CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO	RO4	[[1-[n-hydroxy-acetamidyl]-3-methyl-butyl]-carbonyl-leucinyl]-alanine ethyl ester
+CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br	RO5	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide
+c1ccc(c(c1)N2Cc3cnc(nc3NC2=O)NC4CCC(CC4)O)Cl	RO6	3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)C[C@@H](C(=O)O)OC	RO7	(2s)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C\2/NC=C(S2)Br	RO8	n-{[(2z)-5-bromo-1,3-thiazol-2(3h)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
+Cc1cc(n[nH]1)Nc2cc3ccccc3c(n2)c4cccc(c4)OC	RO9	1-(3-methoxyphenyl)-n-(5-methyl-1h-pyrazol-3-yl)isoquinolin-3-amine
+c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O	ROA	(2r)-3-(3,4-dihydroxyphenyl)-2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
+C1[C@@H]([C@H]([C@H](O1)COP(=O)(O)O)O)O	ROB	1-deoxy-ribofuranose-5'-phosphate
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O	ROC	(2s)-n-[(2s,3r)-4-[(2s,3s,4as,8as)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1h-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide
+c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(F)F	ROD	2,6-dioxo-5-{2-[2-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	ROE	5-[2-(6-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F	ROF	3-(cyclopropylmethoxy)-n-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
+CN1CCC[C@@H](C1)CSc2nc(c3c4c(sc3n2)CCCC4)N	ROG	2-({[(3s)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C	ROI	7,8-dihydro-7,7-dimethyl-6-hydroxypterin
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H](CO4)Cl)O)O)O)N	ROJ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
+c1cc(ccc1N)S(=O)(=O)NC(=O)NCCS	ROK	4-amino-n-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide
+COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3	ROL	rolipram
+CC1([C@H]([C@H]([C@H]([C@@H](O1)O[C@]23C=CC=C2c4cc5ccc4[C@H]3Oc6c(cc(cc6Cl)[C@H](CC(=O)OC[C@@H]5OC(=O)c7cc(cc8c7NC(=O)C(=C)O8)OC)[NH3+])O)O)O)N(C)C)C	ROM	c-1027 aromatized chromophore
+CCC[C@@H](C(=O)O)N	RON	norvaline
+CCC(=O)N	ROP	propionamide
+C[C@@H](CC(=O)O)C(=O)C(=O)O	ROQ	(3~{s})-3-methyl-2-oxidanylidene-pentanedioic acid
+C([C@@H]([C@@H]([C@@H](C=O)O)O)O)O	ROR	l-ribose
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccccc4	ROS	n,n'-tetramethyl-rosamine
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)CCC2=C(NC(=O)NC2=O)C(=O)O	ROU	5-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CC(C)c1cccc(c1NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C)C(C)C	ROV	nevanimibe
+CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O	ROX	roxithromycin
+c1c(c2c(c(n(c2nc1C(=O)N)CC3CCNCC3)C4CC4)Cl)Cl	ROY	3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1h-pyrrolo[2,3-b]pyridine-6-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N	RP1	6-(6-amino-purin-9-yl)-2-thioxo-tetrahydro-2-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N	RP2	(2r,4ar,6r,7r,7as)-6-(6-amino-8-bromo-9h-purin-9-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide
+C1[C@H](O[C@H]([C@@H]1O)O)COP(=O)(O)O	RP3	3-deoxy-5-o-phosphono-beta-d-ribofuranose
+c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O	RP4	(1s,4s,5s)-1,4,5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid
+C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O	RP5	5-o-phosphono-beta-d-ribofuranose
+CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1C([C@@H](CO)O)O)C(=O)O)CC=C)O	RP6	5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-d-glycero-d-galacto-non-2-enonic acid
+CN1CC=C[C@@H](C1)O	RP7	(3s)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol
+c1cc(c2ccc(nc2c1)N)CN	RP8	5-(aminomethyl)quinolin-2-amine
+CC(=CC=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/CO)/C)/C)C	RPA	rhodopinal glucoside
+CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3	RPB	rucaparib
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)O	RPC	cytidine 3',5'-bis(dihydrogen phosphate)
+C(C[C@H](C(=O)O)[N@](CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC1=O	RPD	(c8-r)-hydantocidin 5'-phosphate
+COc1ccccc1COCCCOc2ccc(cc2)N3[C@@H](CNCC3=O)COc4ccc5c(c4)NCCC5	RPF	1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-6-(1,2,,3,4-tetrahydro-quinolin-7-yloxymethyl)-piperazin-2-one
+CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O)O	RPG	(13e,15s)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid
+C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C=O)O	RPH	6-hydroxo-octahydro-indole-2-carbaldehyde
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NP(=O)(O)O	RPI	phospho-arginine
+c1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccc(cc4)F)C(=O)O	RPJ	1-(4-fluorophenyl)-5-[3-(1h-indol-3-yl)propoxy]-1h-pyrazole-4-carboxylic acid
+C(C[C@@H](C(=O)O)[N@](CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC1=O	RPL	(c8-s)-hydantocidin 5'-phosphate
+Cc1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccccc4)C(=O)O	RPM	5-[3-(5-methyl-1h-indol-3-yl)propoxy]-1-phenyl-1h-pyrazole-4-carboxylic acid
+c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-]	RPN	(r)-1-para-nitro-phenyl-2-azido-ethanol
+c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N)N)CO	RPO	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-o-benzyl-2-deoxy-alpha-d-glucopyranoside
+c1nc(c2c(n1)N(NC2I)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	RPP	2-ribofuranosyl-3-iodo-2,3-dihydro-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
+C[C@H]1[C@@H]([C@H]([C@H](c2n1nnn2)O)O)O	RPQ	d-rhamnopyranose tetrazole
+C[C@H]([C@@H](Cc1cccc(c1)C(=N)N)C(=O)OC)NC(=O)c2ccc(cc2)c3cccc(c3)CN	RPR	3-[(3'-aminomethyl-biphenyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-butyric acid methyl ester
+c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)C#[O+])C=CC=C4)C(=O)NC2=O	RPS	phtalimide-ruthenium complex
+Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](\C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CCN(CC5)C6CCCC6)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O	RPT	rifapentine
+c1ccc(cc1)n2c(c(cn2)C(=O)O)NC(=O)CCc3c[nH]c4c3cccc4	RPV	5-{[3-(1h-indol-3-yl)propanoyl]amino}-1-phenyl-1h-pyrazole-4-carboxylic acid
+CCO[C@H]/1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](CC([C@H]([C@H](C(=O)[C@@H](C[C@@H](\C=C\C=C\C=C1/C)C)C)OC)O)C)C)[C@H](C)Cc4ccc(c(c4)OC)O)O)C	RPX	c16-ethoxy-rapamycin,immunosuppressant drug
+CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CC/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	RQ0	2-azanyl-5-[(2~{e},6~{e},8~{e},10~{e},12~{e},14~{e},18~{e},22~{e},26~{e},30~{e},34~{e})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,8,10,12,14,18,22,26,30,34,38-dodecaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione
+c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCCc3c[nH]c4c3cccc4	RQ1	5-[4-(1h-indol-3-yl)butoxy]-1-phenyl-1h-pyrazole-4-carboxylic acid
+c1nc2c(n1CO[C@H](CO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N	RQ2	ganciclovir triphosphate
+Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)O)C	RQ3	2-{4-[(3,5-dimethylanilino)-carbonyl-methyl]-phenoxy}-2-methylpropionic acid
+Cc1c(cc(c(n1)C(F)(F)F)C(=O)O)c2nc(cs2)c3ccccc3	RQ4	6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid
+c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5ccc(c(n5)C(=O)O)c6cnn(c6)Cc7ccncc7	RQ7	6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1h)-yl}-3-{1-[(pyridin-4-yl)methyl]-1h-pyrazol-4-yl}pyridine-2-carboxylic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O	RQA	5'-o-sulfocytidine
+COC(=O)[C@H](Cc1ccc(cc1)F)N	RQD	methyl 4-fluoro-l-phenylalaninate
+Cc1ccc2c(c1)c(co2)CC(=O)O	RQG	(5-methyl-1-benzofuran-3-yl)acetic acid
+CC(C)(C)C(=O)[C@@H](n1ccnc1)Oc2ccc(cc2)Cl	RQH	(1~{s})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one
+C1CN(C1=O)[C@@H](CCCN)C(=O)O	RQJ	deoxyproclavaminic acid
+C[C@H]1C[C@H]2C(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)NC(=C)C(=O)N2C1)C)O)[C@H](C(=O)N)O)C)C	RQK	(2~{r})-2-oxidanyl-2-[(6~{s},9~{s},12~{s},15~{s},17~{s})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide
+CCc1cc(c(cc1F)Oc2ccc(cc2F)C(=O)N)O	RQN	4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide
+COCCN1C(=O)[C@](NC1=O)(CCO)Cc2ccc(cc2)F	RQP	(5r)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
+COc1ccc(cc1)CNC(=O)c2ccc3c(c2)nccn3	RQQ	n-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide
+c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3	RQS	n-{[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide
+CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cccn3	RQT	~{n}-[3-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide
+CC(=O)Nc1ccc(cc1)c2cc(c3ccc(cc3n2)C#N)CN4CCOCC4	RQV	n-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide
+COC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3ccc4c(c3)scn4)Cc5ccccn5	RQW	(1~{s},5~{s},6~{r})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
+CCC/C(=C/CC1=C(C(=O)C(=C(C1=O)OC)N)C)/C	RQX	2-amino-3-methoxy-6-methyl-5-[(2e)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione
+CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cc(cn3)C(=O)N	RQZ	3-[3-(propanoylamino)phenyl]-1~{h}-pyrrolo[2,3-b]pyridine-5-carboxamide
+c1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)N)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	RR1	5-(4,6-diamino-[1,3,5]triazin-2-ylamino)-4-hydroxy-3-(2-sulfo-phenylazo)-naphthalene-2,7-disulfonic acid
+c1cc2c(cc1c3ccc4c(c3)nc5c(n4)C6=CC=C[N]7=C6C8=[N]([Ru]791([N]3=CC=Cc4c3c3c(cc4)C=CC=[N]93)[N]3=CC=Cc4c3c3c(cc4)C=CC=[N]13)C=CC=C58)nc1c(n2)C2=CC=C[N]3=C2C2=[N]([Ru]334([N]5=CC=Cc6c5c5c(cc6)C=CC=[N]35)[N]3=CC=Cc5c3c3c(cc5)C=CC=[N]43)C=CC=C12	RR2	(mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~4'~,n~5'~)[tetrakis(1,10-phenanthroline-kappa~2~n~1~,n~10~)]diruthenium
+CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)[C@@H](C)C(=O)O	RR5	(2~{s})-2-[(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid
+c1cc(c(cc1S(=O)(=O)O)N=Nc2c(cc3c(c2O)ccc(c3S(=O)(=O)O)Nc4ncnc(n4)Nc5ccc6c(c5S(=O)(=O)O)cc(c(c6O)/N=N/c7cc(ccc7O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O	RR6	3-hydroxy-7-(4-{1-[2-hydroxy-3-(2-hydroxy-5-sulfo-phenylazo)-benzyl]-2-sulfo-ethylamino}-[1,2,5]triazin-2-ylamino)-2-(2-hydroxy-5-sulfo-phenylazo)-napthalene-1,8-disulfonic acid
+C1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	RR7	2-deoxy-beta-d-arabino-hexopyranose
+CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl	RR8	(3r,4r)-1-methanesulfonyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+C#CCN	RRA	prop-2-yn-1-amine
+c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3c(cc(c4)CO)N)O)O)N)O	RRB	[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
+CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3	RRC	r-roscovitine
+[C](=O)[Re+]([C]=O)([C]=O)([O])([O])[O]	RRE	fac-tricarbonyl-triaqua rhenium(i)
+CC(C)c1ccccc1c2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O	RRG	(2s)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid
+CC(C)c1ccccc1c2ccc(cc2)O[C@H](Cc3ccccc3)C(=O)O	RRH	(2r)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)Cl)O	RRJ	4-chloro-4-deoxy-alpha-d-galactopyranose
+c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N	RRK	(1r,2r)-1,2-diphenylethane-1,2-diamine
+CCCC[C@H]1CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(\C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C	RRM	(2e,4s,5s,6e,8e)-10-{(2r,3s,6s,8r,9s)-9-butyl-8-[(1e,3e)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
+C1(=C(NC(=O)NC1=O)C(=O)O)Br	RRO	5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(cc(c1)C(=N)N)CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl	RRP	3-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide
+CNc1cc(ccc1C(=O)O)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5	RRQ	4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-2-(methylamino)benzoic acid
+c1cc(sc1\C=C\S(=O)(=O)[N@]2CCN(C(=O)C2)Cc3cc4cnccc4[nH]3)Cl	RRR	4-{[(e)-2-(5-chlorothien-2-yl)vinyl]sulfonyl}-1-(1h-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O	RRS	n4-hydroxy-2-isobutyl-n1-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)-succinamide
+c1ccc(cc1)C[C@H](CS)NC(=O)CC(=O)O	RRT	(r)-retro-thiorphan
+CC(C)(CO)[C@H](C(=O)NCC[C@H](Cc1ccccc1)O)O	RRV	(2r)-2,4-dihydroxy-n-[(3s)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2c(cc(c3)CO)N)O)O)N	RRW	[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C	RRX	(3r)-beta,beta-caroten-3-ol
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CCl)O)O)O)Cl	RRY	1,6-dichloro-1,6-dideoxy-beta-d-fructofuranose
+C=C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CC(=O)O	RRZ	2-[(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid
+c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)CC3(CCOCC3)C(=O)NO	RS1	4-[4-(4-chloro-phenoxy)-benzenesulfonylmethyl]-tetrahydro-pyran-4-carboxylic acid hydroxyamide
+c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)CC(=O)NO	RS2	n-hydroxy-2-[4-(4-phenoxy-benzenesulfonyl)-tetrahydro-pyran-4-yl]-acetamide
+Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	RS3	1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl]-d-ribitol
+CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)O	RS4	7-ethyl-10-hydroxycamptothecin
+CCCCCCC#Cc1ccccc1\C=C\C(=O)O	RS7	(2e)-3-(2-oct-1-yn-1-ylphenyl)acrylic acid
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N	RS8	n-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-l-phenylalanine
+C#CCN[C@H]1CCc2c1cccc2	RSA	n-propargyl-1(s)-aminoindan
+C[C@@H](c1ccccn1)N2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4ccc5c(c4)scn5)COC	RSB	(1s,5s,6r)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
+C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@](CC3=C2C(C4=C(C3)C(=O)C5C=CC6C(=C5C4=O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@]6(O7)C)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@]([C@H]([C@@H](O9)C)O)(C)O)OC)(C)[N+](=O)[O-])[NH+](C)C)O)O)(C)O)OC)OC)(C)O)O	RSD	respinomycin d
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@@](=O)(OP(=O)(O)O)[SeH])O)OC	RSE	[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate
+C1CO[C@H]2C1[C@H](CO2)O	RSF	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-ol
+C1CO[C@@H]2[C@H]1[C@@H](CO2)O	RSG	(3s,3ar,6as)-hexahydrofuro[2,3-b]furan-3-ol
+C([C@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O	RSH	3-deoxy-d-lyxo-hexonic acid
+c1ccc(cc1)[C@H]([C@H](c2ccccc2)N)N	RSK	(1s,2r)-1,2-diphenylethane-1,2-diamine
+CC(=O)N[C@@H](CC[S@](=O)C)C(=O)NC	RSM	(2s)-2-(acetylamino)-n-methyl-4-[(r)-methylsulfinyl]butanamide
+c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)CO	RSN	(3~{s})-3-azanyl-4-[[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid
+c1ccc(cc1)[C@@H]2CO2	RSO	r-styrene oxide
+C1=CN(C(=S)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	RSP	4-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)pyrimidine-2(1h)-thione
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C=O	RSQ	5-formylcytidine 5'-(dihydrogen phosphate)
+CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O	RSS	5-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-ylcarbamoyl)-hexanoic acid
+C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O)N)O	RST	3-amino-2,3,6-trideoxy-alpha-l-ribo-hexopyranose
+c1cc(nc2c1cc(cc2)c3ccsc3)N	RSV	6-(thiophen-3-yl)quinolin-2-amine
+Cc1cc2c3c(c4c5ccccc5n6c4c2[n+](c1)[Ru]678912([C@@H]4[C@H]7C8([C@H]9[C@H]1C24)C(=O)O)Cl)C(=O)NC3=O	RSW	[(1,2,3,4,5,6-eta)-(1s,2r,3r,4r,5s,6s)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5h-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~n~1~,n~12~)ruthenium(1+)
+C1C[C@H]2CC(C[C@H]2NC1)(P(=O)(O)O)P(=O)(O)O	RSX	(4as,7ar)-octahydro-1h-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)
+CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CCl)NC(=O)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C)NC(=O)c2ccccn2)O	RSY	n-[(2r)-1-{[(2s,3s)-5-{[(2r)-1-{[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)NCC#C)O)NC(=O)c3ccccn3	RSZ	n-[(2s)-1-{[(2s,3s)-3-hydroxy-5-oxo-5-{[(2r)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	RT	ribosylthymine-5'-monophosphate
+c1cc(ccc1c2cn(nn2)[C@H]3C[C@H](NC3)C(=O)O)F	RT0	(2s,4s)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid
+C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)N)O)C(=O)O	RT1	(2s)-3-[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+CCc1ccc(cc1)Cc2ccc3c(c2)[C@]4([C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC3	RT2	tofogliflozin
+Cc1ccc2c(c1)CCCN2C(=O)SCC(=O)Nc3ccc(cc3Cl)S(=O)(=O)N	RT3	s-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2h)-carbothioate
+c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)CSC(=O)N2CCCc3c2c(cc(c3)Cl)Cl	RT7	s-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2h)-carbothioate
+CC1CCC(CC1)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)Nc4ccncc4	RT8	nalpha-[(trans-4-methylcyclohexyl)carbonyl]-n-pyridin-4-yl-d-tryptophanamide
+C1CCN2C(C1)C3CCCC4N3[Ru+2]25(N6C4CCCC6)N7CCCCC7C8N5CCC=C8	RTA	(2,2':6',2''-terpyridine)-(2,2''-bipyridine) ruthenium (ii)
+C1=CC=[N]2C(=C1)C3=[N]4[Ru+2]25([N]6=C(C4=CC=C3)C=CC=C6)[N]7=C8C(=CC=C7)C=CC9=CC=C[N]5=C98	RTB	(2,2':6',2'-terpyridine)-(1,10-phenanthroline) ruthenium (ii)
+C(#O)[Re](C#O)C#O	RTC	rhenium (i) tricarbonyl
+c1ccc(cc1)[C@H](C(=O)O)S	RTD	(2r)-phenyl(sulfanyl)ethanoic acid
+Cn1c2cc(ccc2nc1COc3cccc(c3)C(=O)O)Oc4ccc(c(c4)F)Cl	RTE	3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1h-benzimidazol-2-yl]methoxy}benzoic acid
+Cc1cc(c(nc1)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C)C	RTF	3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
+C([C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	RTG	6-o-phosphono-alpha-l-idopyranose
+CC(C)(C)C#Cc1ccccc1c2ccc3c(c2)ccc(n3)N	RTH	6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine
+C[C@@H]1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C	RTJ	(7r)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+C[N+](C)(C)CCCP(=O)O	RTK	trimethyl(3-oxidanylphosphonoylpropyl)azanium
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C	RTL	retinol
+CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N	RTM	3-(2-aminoquinolin-3-yl)-n-cyclohexyl-n-methylpropanamide
+Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NC4CCCCC4	RTN	3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-cyclohexylpropanamide
+c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)C(=O)N	RTP	ribavirin triphosphate
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCC(=O)NCC(=O)N[C@@H](C(=O)N4CCCC[C@H]4C(=O)O2)C5CCCCC5	RTQ	(2r,5s,12r)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone
+c1cc(ccc1CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl)C(=N)N	RTR	4-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCC(=O)NC4(CC4)C(=O)N[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6	RTT	(2'r,5's,12'r)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone
+CC(=O)N[C@@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO	RTV	2-(acetylamino)-1,5-anhydro-2-deoxy-d-mannitol
+COc1ccccc1c2nc3c(n2C4CCCCC4)NC(=NC3=S)N	RTW	2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{h}-purine-6-thione
+CCN(CC)CCCCN1c2ccccc2Oc3c1cc(cc3)Cl	RTX	4-(2-chloro-10h-phenoxazin-10-yl)-n,n-diethylbutan-1-amine
+c1cc(ccc1C[C@@H]([C@H](CBr)O)N)OCCCC(=O)O	RTY	4-{4-[(2s,3r)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid
+C[N@]1CCCC[C@@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC	RTZ	10-{2-[(2r)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10h-phenothiazine
+[Ru+3]	RU	ruthenium ion
+CC1=O[Ru]234(=[Ru](O1)(O=C(O2)C)(O=C(O3)C)(OC(=O4)C)Cl)Cl	RU0	tetrakis(acetato)chloridodiruthenium(ii,iii)
+C(#[O+])[Ru+2]C#[O+]	RU1	bis(oxidaniumylidynemethyl)ruthenium(2+)
+C(#[O+])[Ru]([OH2+])([OH2+])([OH2+])([OH2+])[OH2+]	RU2	pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium
+C(=O)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)OC=O	RU3	ruthenium(6+) formate azanide tetraamino(formato-kappao)oxidoruthenate(1-) (1/1/4/1)
+CCNC(=O)Oc1ccc(cc1)c2csnn2	RU4	4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate
+c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)N)Oc4ccc(cc4)Cl	RU5	2-[4-(4-chlorophenoxy)phenyl]-1h-benzimidazole-6-carboxamide
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn5cc(nc5)c6cccnc6)C	RU6	(3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-1-[4-(4-pyridin-3-yl-1h-imidazol-1-yl)butyl]-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl 2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranoside
+CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl	RU7	para-cymene ruthenium chloride
+c1c2c3c4c(c1NC(=O)CI)C=CC=[N]4[Ru+2]56([N]3=CC=C2)([N]7=C(C=CC=C7)C8=[N]5C=CC=C8)[N]9=C(C=CC=C9)C1=CC=CC=[N]61	RU8	bis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)[2-iodo-n-(1,10-phenanthrolin-5-yl-kappa~2~n~1~,n~10~)acetamide]ruthenium(2+)
+c1cc(cc(c1)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(=O)N)O	RU9	2-(4-(3-hydroxyphenoxy)phenyl)-1h-benzo[d]imidazole-5-carboxamide
+CC1CCN2C(C1)C3CC(=CCN3[Ru]245(N6CCCCC6C7N4CCCC7)N8CCCCC8C9N5CCCC9)C	RUA	(4'-methyl-2,2'bipyridine)bis(2,2'-bipyridine)
+C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O	RUB	ribulose-1,5-diphosphate
+[CH]12=[CH]3[Ru]1456[CH]2=[CH]4[CH]5=[CH]63	RUC	(eta6-benzene)ruthenium
+Cc1ccc(cc1)CCC(=O)O.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl	RUD	[ethane6-3-(p-tolyl)propanoic acid]ru(1,3,5-triaza-7-phosphaadamantane)cl2
+c1cc(cc(c1)C(=O)O)CN(Cc2cccc(c2)C(=O)O)CC(=O)NO	RUE	3-[[(3-carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid
+CN1c2c(n(c(n2)N3CCNCC3)Cc4ccccc4Cl)C(=O)N(C1=O)C	RUF	7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1h-purine-2,6-dione
+c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	RUG	1-beta-d-glucopyranosyl-4-(hydroxymethyl)-1h-1,2,3-triazole
+C1C[N][Ru]23456([N]1)(C7=C2C38=C4(C5=C67)CC9=C(C8)CC=CC9)Cl	RUH	(ethane6-5,8,9,10-tetrahydroanthracene)ru(ii)(ethylene-diamine)cl
+c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)(C9=C5[C]6C7=C89)C#O	RUI	cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~c~10~,n~1~)ruthenium
+CN(CCC(=O)O)[N+](C)(C)C	RUJ	3-(1,1,1,2-tetramethylhydrazin-1-ium-2-yl)propanoate
+C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C7C(=CC=C6)c8c(nc9c1c2c3c(c9n8)C=CC=[N]3[Ru+2]36([N]2=CC=C1)([N]1=C(C=CC=C1)C1=[N]3C=CC=C1)[N]1=C(C=CC=C1)C1=[N]6C=CC=C1)C1=CC=C[N]4=C17)[N]1=CC=CC=C1C1=CC=CC=[N]51	RUL	tetrakis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~13~,n~14~)diruthenium(4+)
+c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCC[C@H](C3)N)Br)C#N	RUM	2-({2-[(3r)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6h)-yl}methyl)benzonitrile
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@@H](Cc2ccccc2)c3[nH]c(cn3)C(=O)C(C)C)O)NC(=O)OCc4ccccc4	RUN	2-[(1r,3s,4s)-1-benzyl-4-[n-(benzyloxycarbonyl)-l-valyl]amino-3-phenylpentyl]-4(5)-(2-methylpropionyl)imidazole
+O([Ru])([Ru])[Ru]	RUO	oxo-centered triruthenium cluster
+c1ccc(cc1)CCNC(=O)[C@@H](Cc2cccc(c2)C(=N)N)NC(=O)NC34CC5CC(C3)CC(C5)C4	RUP	(r)-2-(3-adamantan-1-yl-ureido)-3-(3-carbamimidoyl-phenyl)-n-phenethyl-propionamide
+S[Cu][S+]([Cu])[Cu]	RUQ	(dicuprio-$l^{3}-sulfanyl)-sulfanyl-copper
+CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Ru@@]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C	RUR	[3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)dipropanoato(2-)]ruthenium
+C1=CN(C(=NC1=O)[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	RUS	1-(5-o-phosphono-beta-d-ribofuranosyl)-2-selanylpyrimidin-4(1h)-one
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O	RUT	rutin
+C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O	RUU	alpha-l-ribulofuranose
+CC(=O)Nc1ccc(cc1)C(=O)Nn2cnnc2	RUV	4-(acetylamino)-n-(4h-1,2,4-triazol-4-yl)benzamide
+Cc1nc2cc3c(cc2c(n1)N)C4=CC=CC=[N]4[Ru]3([C-]#[O+])C5(C=CC=C5)C(=O)Oc6c(cccc6OC)OC	RUX	[4-amino-2-methyl-6-(pyridin-2-yl-kappan)quinazolin-7-yl-kappac~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium
+C1CCN(CC1)c2c(non2)N	RUY	4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine
+c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)CO	RUZ	[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
+c1cc(ccc1N)S(=O)(=O)NC(=O)C2CC2	RV1	n-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide
+c1cc(cc(c1)NC(=O)C(=O)Nc2ccc(cc2C(=O)O)Cl)c3ccoc3	RV2	5-chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid
+CC(=O)Nc1ccc(cc1)CN2CCOCC2	RV4	n-{4-[(morpholin-4-yl)methyl]phenyl}acetamide
+c1cc2c(cc1NC(=O)NCC(=O)N3CCCCC3)snn2	RV5	n-1,2,3-benzothiadiazol-6-yl-n'-[2-oxo-2-(1-piperidinyl)ethyl]urea also called unc-2327
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N	RV7	4-amino-4,6-dideoxy-alpha-d-glucopyranose
+C1[C@@H](O1)CN2C(=O)N(C(=O)N(C2=O)C[C@H]3CO3)C[C@H]4CO4	RV8	triglycidyl isocyanurate
+c1ccc(cc1)/C=C(/C(=O)O)\Oc2cccc(c2O)C(=O)O	RVA	3-{[(z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid
+CC(C)/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O	RVB	3-{[(1z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid
+c1cc(c(c(c1)O/C(=C\C2CC2)/C(=O)O)O)C(=O)O	RVC	3-{[(z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid
+CC/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O	RVD	3-{[(1z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid
+C=C(C(=O)O)Oc1cccc(c1O)C(=O)O	RVE	3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)O	RVG	6-deoxy-2,3-di-o-methyl-beta-d-glucopyranose
+CCC[C@H](Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)NCC4CCCCC4	RVI	(2r)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-n-(cyclohexylmethyl)pentanamide
+C([C@@H](C(=O)O)N)NNN	RVJ	3-triazan-1-yl-l-alanine
+CO[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	RVK	adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere
+C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)OC)OC	RVM	4,6-dideoxy-2,3-di-o-methyl-alpha-d-xylo-hexopyranose
+c1ccc2c(c1)/C(=C\c3ccc4c(c3C(=O)O)OCO4)/C(=O)N2	RVN	5-[(e)-(2-oxidanylidene-1h-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
+c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N	RVP	ribavirin monophosphate
+Cc1ccnc(c1)C	RVV	2,4-dimethylpyridine
+C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)S)O)O)O)O	RVW	(2~{s},3~{r},4~{r},5~{s},6~{s})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol
+CC(C)CO[P@](=O)(C)OC[C@@H](C(=O)O)N	RVX	o-[methyl(2-methylpropoxy)phosphoryl]-l-serine
+C[C@@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3	RVY	(5s)-5-methyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione
+c1ccc(cc1)c2c(c(nc(c2C#N)SCc3[nH]ccn3)N)C#N	RVZ	2-azanyl-6-(1~{h}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile
+c1ccc(cc1)c2ccncn2	RW1	4-phenylpyrimidine
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O	RW2	(1s)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid
+CC(=O)Nc1nc2ccc(cc2s1)c3c4c(ncnc4n(n3)Cc5cc6ccccc6nc5N7CCN(CC7)C)N	RW3	n-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide
+CN1CCN(CC1)c2c(cc3ccccc3n2)Cn4c5c(c(n4)c6ccc7c(c6)sc(n7)N)c(ncn5)N	RW4	3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCC[C@]1(C(=O)Nc2ccccc2C(=O)N1C)C	RW7	(3s)-3,4-dimethyl-3-propyl-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione
+COC(=O)CCC(=O)N1CCc2c1cccc2	RW8	methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
+C[C@]1(C(=O)C(C(=O)N1)(C)C)Cc2cn(nn2)c3ccccc3	RWA	(5r)-3,3,5-trimethyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	RWB	dodecaethylene glycol monomethyl ether
+C[C@]1([C@H](CC(=O)N1)O)Cc2cn(nn2)c3ccccc3	RWD	(4s,5r)-4-hydroxy-5-methyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one
+CC(=O)C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O	RWF	r-warfarin
+C[C@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3)F	RWG	(5r)-5-{[1-(4-fluorophenyl)-1h-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione
+CN(CCc1ccccc1)C(=O)Nc2cccc(c2)S(=O)(=O)N	RWH	3-(3-methyl-3-phenethylureido)benzenesulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)NC(=O)NO)O)O)O	RWI	(2s)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-d-glucopyranosyl}oxy)butanedioic acid
+c1ccc2c(c1)nc(s2)C(=O)[C@H](CCCNC(=N)N)NC(=O)C3CCCC3	RWJ	cyclopentanecarboxylic acid [1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide
+C[C@@]1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3	RWM	(5s)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione
+COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F	RWP	methyl 4-[(trifluoroacetyl)amino]benzoate
+Cc1nnc(s1)N2CCCCC2	RWS	1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine
+Cc1nc(cs1)CN2CCC(CC2)CN	RWV	1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
+Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2OC)c3nc(c(s3)C(=O)O)c4ncnn4C)Br)Cl	RWX	2-[(3s,4r)-4-[(3-bromanyl-4-chloranyl-5-methyl-1h-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid
+c1ccc(cc1)Oc2ccc(cc2)OCCSC#N	RWY	2-(4-phenoxyphenoxy)ethyl thiocyanate
+CC(=CCC/C(=C\CNCCNC1C2CC3CC(C2)CC1C3)/C)C	RWZ	n-[(2z)-3,7-dimethylocta-2,6-dien-1-yl]-n'-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine
+COCCCC[C@@](c1ccccc1c2ccccc2)([C@@H]3CCCN(C3)C(=O)[C@H]4C[C@H]([C@H](C4)O)N)O	RX0	[(1s,3r,4s)-3-amino-4-hydroxycyclopentyl]{(3r)-3-[(1s)-1-(biphenyl-2-yl)-1-hydroxy-5-methoxypentyl]piperidin-1-yl}methanone
+c1ccc(cc1)CC(NC(=O)OCc2ccccc2)[P@](=O)(C3CCC[C@H]3C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)O	RX3	n-({(1s,2r)-2-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]cyclopentyl}carbonyl)-l-trypt ophan
+C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C)O)C(=O)N[C@@H](C)C(=O)N	RX4	n~2~-acetyl-n-{(1r)-1-[(s)-[(2s)-3-{[(2s)-1-amino-1-oxopropan-2-yl]amino}-2-methyl-3-oxopropyl](hydroxy)phosphoryl]-2-phenylethyl}-l-alpha-asparagine
+CN[C@@H](C[C@H]1CCCOC1)CNC(=O)N2CCC[C@H](C2)[C@H](c3cccc(c3)Cl)OCCNC(=O)OC	RX5	methyl (2-{(r)-(3-chlorophenyl)[(3r)-1-({(2s)-2-(methylamino)-3-[(3r)-tetrahydro-2h-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl] methoxy}ethyl)carbamate
+CNC[C@H](C[C@H]1CCCOC1)NC(=O)N2CCC[C@H](C2)[C@H](c3cccc(c3)Cl)OCCNC(=O)OC	RX6	methyl (2-{(r)-(3-chlorophenyl)[(3r)-1-({(2s)-1-(methylamino)-3-[(3r)-tetrahydro-2h-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate
+Cc1ccsc1CNC(C)(C)CO	RX7	2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol
+CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N	RX8	1-[4-amino-2-(ethoxymethyl)-1h-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
+c1ccc2c(c1)C(=O)C(=O)NC2=O	RXA	isoquinoline-1,3,4(2h)-trione
+CC(=O)O[C@@H](c1ccccc1)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O	RXB	(1s)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
+CC(=O)O[C@@H](c1cccc(c1)Cl)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O	RXC	(1s)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
+c1cc(cc(c1)OCCF)NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O	RXD	n-[3-(2-fluoroethoxy)phenyl]-n'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
+c1cc(c(cc1CCNC(=O)CCC(=O)NCCCCn2cnc3c2c(c(c(c3Br)Br)Br)Br)Cl)Cl	RXE	~{n}'-[2-(3,4-dichlorophenyl)ethyl]-~{n}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide
+c1ccn(c1)C(=O)COc2ccc(cc2)F	RXG	2-(4-fluorophenoxy)-1-(1h-pyrrol-1-yl)ethan-1-one
+C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)OC	RXH	naproxen methyl ester
+CN1CCN(CC1)c2ccc(cc2)C#N	RXJ	4-(4-methylpiperazin-1-yl)benzonitrile
+C1CCC(CC1)C(=O)O	RXK	cyclohexanecarboxylic acid
+Cc1ccn2c(c1)nc3c2c4c(c5c3c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O	RXM	(2s,16z,18e,20s,21s,22r,23r,24r,25s,26r,27s,28e)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,1 5-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-2 5-yl acetate
+CN1c2ccc(cc2OC[C@@H](C1=O)N3CCc4c(nn(c4C(=O)N)Cc5ccccc5)C3=O)Cl	RXN	(s)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2h-pyrazolo[3,4-c]pyridine-3-carboxamide
+c1cc(c(cc1[AsH2])[N+](=O)[O-])O	RXO	4-arsanyl-2-nitrophenol
+c1ccc(cc1)CCC[C@H](C[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N	RXP	1-benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(1h-indol-3-yl)-ethylcarbamoyl]-5-phenyl-pentyl}-phosphinic acid
+c1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)c5ccc(cc5)Cl)F	RXQ	n-[3-[5-(4-chlorophenyl)-1h-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide
+CC1(C(=C(C(N1[O])(C)C)CS)CS)C	RXR	[2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1h-pyrrol-1-yl]oxidanyl radical
+Cc1nccn1Cc2cccc(c2)C#N	RXS	3-[(2-methyl-1h-imidazol-1-yl)methyl]benzonitrile
+c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4	RXT	(3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+COc1ccc2c(c1)c(c(cn2)C#N)CCN3CCC(CC3)NCc4cc5c(cn4)OCS5	RXV	6-methoxy-4-(2-{4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]piperidin-1-yl}ethyl)quinoline-3-carbonitrile
+B(c1cc2c(cc1C)cn[nH]2)(O)O	RXW	(5-methyl-1h-indazol-6-yl)boronic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN	RXY	(7z,19r,22r)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9z)-octadec-9-enoate
+c1ccnc(c1)CN2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(o4)c5ccncc5)C(F)(F)F	RXZ	sphinx31
+C1C=C(NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	RY	5'-3,6-dihydrocytidylic acid
+B(c1cccc(c1)c2n[nH]nn2)(O)O	RY2	(3-(1h-tetrazol-5-yl)phenyl)boronic acid
+CS(=O)(=O)Nc1ccc(cc1)CN	RY4	n-[4-(aminomethyl)phenyl]methanesulfonamide
+c1cc2c(cc1Cl)CC[C@@]23C(=O)N(C(=O)N3)Cc4ccon4	RY5	(3~{s})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	RY7	4,6-dideoxy-4-{[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranose
+Cc1cc(cc(c1C)NC(=O)c2ccc(cc2)c3csc(n3)C)S(=O)(=O)N	RY8	n-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methylthiazol-4-yl)benzamide
+C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)C	RYA	(7~{r})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{h}-pteridin-6-one
+Cn1c2ccc(cc2nn1)CO	RYD	(1-methylbenzotriazol-5-yl)methanol
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O	RYE	hydrolyzed ceftazidime
+c1cc(oc1)C(=O)N[C@@H]2CCCCNC2=O	RYG	~{n}-[(3~{r})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide
+c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N	RYJ	4-sulfamoyl-n-(2,2,2-trifluoroethyl)benzamide
+CCNC(=O)N1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5CO4)OC)OC)OC)OCO3	RYK	(5~{r})-5-[(1~{s})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{n}-ethyl-4-methoxy-7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
+c1ccc2c(c1)ncn2Cc3ccc(cc3)C#N	RYM	4-(benzimidazol-1-ylmethyl)benzenecarbonitrile
+CCNc1nc(nc(n1)SC)NC(C)C	RYN	n-ethyl-n'-(1-methylethyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
+CNCc1ccncc1	RYP	~{n}-methyl-1-pyridin-4-yl-methanamine
+C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O	RYS	6-[(3~{s},4~{r})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{s})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	RYT	pentadecaphosphate
+C[C@@]1(c2ccccc2NC1=C3c4cc(ccc4NC3=O)S(=O)(=O)N5CCC(CC5)O)O	RYU	(2e,3s)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'h)-one
+CCNC(=O)c1ccc(cc1)S(=O)(=O)N	RYV	n-ethyl-4-sulfamoylbenzamide
+C[C@H](C(=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	RYW	(2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide
+c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(=O)(=O)N	RYX	n-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide
+CCCNC(=O)c1ccc(cc1)S(=O)(=O)N	RYY	n-propyl-4-sulfamoylbenzamide
+c1cc(ccc1C(=O)NCC(C(C(F)(F)F)(F)F)(F)F)S(=O)(=O)N	RYZ	n-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide
+CCCCNC(=O)c1ccc(cc1)S(=O)(=O)N	RZ0	n-butyl-4-sulfamoylbenzamide
+c1cc(ccc1C(=O)NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N	RZ1	n-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide
+CC(C)(C)OC[C@@H](C(=O)O)N	RZ4	o-tert-butyl-l-serine
+CCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N	RZ5	n-pentyl-4-sulfamoylbenzamide
+c1cc(ccc1C(=O)NCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N	RZ7	4-sulfamoyl-n-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide
+CCCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N	RZ8	n-hexyl-4-sulfamoylbenzamide
+C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O	RZA	6-[(3~{r},4~{s})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+c1cc(ccc1c2nnn(n2)C[C@@H](CC(=O)O)N)Oc3ccc(cc3)Cl	RZB	(3~{r})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
+CC(=O)N[C@H](C[N@@]1CCC[C@H]1C(=O)NCCc2c[nH]c3c2cccc3)COP(=O)(O)O	RZD	(2r)-2-(acetylamino)-3-[(2s)-2-{[2-(1h-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate
+c1cc(ccc1c2nnn(n2)C[C@H](CC(=O)O)N)Oc3c(cc(cn3)Cl)F	RZE	(3~{s})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
+COC(=O)c1ccc(cc1)S(=O)(=O)N	RZG	methyl 4-sulfamoylbenzoate
+CCc1cc(cc2c1[nH]c(c2CCN)C)Br	RZH	2-(5-bromo-7-ethyl-2-methyl-1h-indole-3-yl)ethan-1-amin
+CN1CCCc2c1cc(cc2)S(=O)(=O)N	RZJ	1-methyl-3,4-dihydro-2~{h}-quinoline-7-sulfonamide
+COc1ccc(cc1)c2nnn(n2)CCN	RZK	2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
+C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	RZM	(2r,3r,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-d-glucopyranoside
+c1ccc(cc1)Oc2ccc(cc2)CO	RZN	(4-phenoxyphenyl)methanol
+CC(=O)N[C@@H](CCC(=O)O)[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O	RZP	(2~{s})-2-[[[(1~{r})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
+CCNc1ccc(cn1)C#N	RZS	6-(ethylamino)pyridine-3-carbonitrile
+CC(=O)N[C@@H](CCC(=O)O)P(=O)(C[C@@H](CCC(=O)O)C(=O)O)O	RZV	(2~{s})-2-[[[(1~{r})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid
+CC1=CC(=O)N(c2c1c(c(cc2OC)OC)OC)C	RZW	5,6,8-trimethoxy-1,4-dimethylquinolin-2(1h)-one
+Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCCCOC	RZX	2-[(r)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1h-benzimidazole
+C[C@@H](NC(=O)C)[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O	RZY	(2~{s})-2-[[[(1~{s})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
+B1(c2cc(ccc2CO1)C(=O)O)O	RZZ	1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid
+S	S	sulfur atom
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc4ccccc4)\\N	S00	n-(benzylsulfonyl)-3-cyclohexyl-d-alanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+Cc1cc2c(nc1)C(=C3CCN(CC3)C(=O)Cc4ccncc4)c5ccc(cc5CC2)Cl	S01	1-[4-(8-chloro-3-methyl-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-2-pyridin-4-yl-ethanone
+C1CC(=CC=C2CCC(CC2)OCCOP(=O)(O)O)CCC1OCCO	S02	phosphoric acid mono-[2-(4-{2-[4-(2-hydroxy-ethoxy)-cyclohexylidene]-ethylidene}-cyclohexyloxy) -ethyl] ester
+COc1cccc(c1)c2cn(c3c2c(ncn3)N)c4ccc(cc4)CN5CCC(CC5)O	S03	1-{4-[4-amino-5-(3-methoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-ol
+c1ccc(cc1)CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4CN)Cl	S04	n-(benzylsulfonyl)-3-cyclohexyl-d-alanyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+c1ccc2c(c1)CCCN2C(=O)N3CCC(CC3)c4cnc[nH]4	S05	3,4-dihydroquinolin-1(2h)-yl[4-(1h-imidazol-5-yl)piperidin-1-yl]methanone
+c1ccc2cc(ccc2c1)C3C[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)ON3	S06	(3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
+Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2	S07	2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone
+B1(c2cc(ccc2[C@@H](O1)CC(=O)O)C(=O)N[C@H](c3ccccc3)C(=O)N)O	S08	2-(6-(((r)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
+C[C@H](C1CC1)NC(=O)Nc2ccccc2	S0A	1-[(1r)-1-cyclopropylethyl]-3-phenylurea
+C[C@@H]1CN=C(S1)NCCc2ccccc2	S0B	(5r)-5-methyl-n-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
+c1csc(n1)NC(=O)CC2CCCC2	S0C	2-cyclopentyl-n-(1,3-thiazol-2-yl)acetamide
+Cn1cc(cn1)c2[nH]c3ccccc3n2	S0D	2-(1-methyl-1h-pyrazol-4-yl)-1h-benzimidazole
+c1cc2c(cc1C(F)(F)F)sc(n2)N	S0E	6-(trifluoromethyl)-1,3-benzothiazol-2-amine
+c1cc(ccc1Cc2cnc(s2)N)Br	S0F	5-(4-bromobenzyl)-1,3-thiazol-2-amine
+CN1C(=C(C(=O)NC1=O)N2CCCCC2)N	S0G	6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1h,3h)-dione
+C[C@@H](CP(=O)(O)O)O	S0H	(s)-2-hydroxypropylphosphonic acid
+c1ccc(cc1)CN2CC(=O)Nc3c2cccc3	S0I	4-benzyl-3,4-dihydroquinoxalin-2(1h)-one
+Cc1cc(c(n1C[C@H]2CCCO2)C)c3csc(n3)N	S0J	4-{2,5-dimethyl-1-[(2r)-tetrahydrofuran-2-ylmethyl]-1h-pyrrol-3-yl}-1,3-thiazol-2-amine
+c1ccc(c(c1)NC(=O)c2ccsc2)N3CCOCC3	S0K	n-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
+c1cc(cc(c1)NC(=O)c2cc(ccn2)n3cc(nc3)C4CC4)c5nncn5C6CC6	S0L	4-(4-cyclopropyl-1h-imidazol-1-yl)-n-[3-(4-cyclopropyl-4h-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
+CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O	S0N	o-succinylbenzoyl-n-coenzyme a
+CC(=O)Nc1ccc(cc1)C#N	S0P	~{n}-(4-cyanophenyl)ethanamide
+B1(c2cc(ccc2[C@@H](O1)CC(=O)O)C(=O)NCC(=O)N3CCN(C(=O)C3)C)O	S0Q	2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
+c1cc(cnc1)CN[C@H]2CS(=O)(=O)C[C@@H]2O	S0S	(3~{r},4~{r})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol
+c1c(nns1)C(=O)N2CCOCC2	S0V	morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone
+c1cc(ccc1CCC(=O)O)Cl	S0W	3-(4-chlorophenyl)propanoic acid
+Cc1ccc2c(c1)c(c(o2)C#C)CC(=O)O	S0Y	2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid
+B1(c2cc(ccc2CO1)C(=O)N[C@H](c3ccccc3)C(=O)OC)O	S0Z	methyl (r)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate
+CCOC(=O)NCCCNC(=O)OCC	S10	diethyl propane-1,3-diylbiscarbamate
+CC(C)c1c(n(c(n1)COC(=O)N)Cc2ccncc2)Sc3cc(cc(c3)Cl)Cl	S11	5-(3,5-dichlorophenyl)thio-4-isopropyl-1-(pyridin-4-yl-methyl)-1h-imidazol-2-yl-methyl carbamate
+CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)O	S12	o-[(s)-hydroxy{[(2s)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-l-serine
+Cc1ccc(cc1)C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2	S13	(3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
+CN(C)C(=O)[C@@H](c1ccc(cc1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CC[C@@H](C4)F)N	S14	6-(4-{(1s,2s)-2-amino-1-[(dimethylamino)carbonyl]-3-[(3s)-3-fluoropyrrolidin-1-yl]-3-oxopropyl}phenyl)-1h-[1,2,4]triazolo[1,5-a]pyridin-4-ium
+c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Cl)C(=O)O	S16	3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid
+COC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)CCCCCCC(=O)NO	S17	methyl 4-bromo-n-[8-(hydroxyamino)-8-oxooctanoyl]-l-phenylalaninate
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)N=[N+]=[NH-])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	S18	[n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)copper
+Cc1ccc(cc1)Nc2c(cnc(n2)N[C@@H]3CCOC[C@@H]3N)C(=O)N	S19	2-{[(3r,4r)-3-aminotetrahydro-2h-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide
+C[C@H]1\C=C\[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)C)c3ccccc3)OC)OC	S1A	soraphen a
+B1(c2cc(ccc2CO1)C(=O)N3CCN(C(=O)C3(C)C)C)O	S1B	4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one
+CC(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O	S1C	3-(4-acetamidophenyl)benzoic acid
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)F	S1D	3-(4-fluorophenyl)benzoic acid
+B1(c2cc(ccc2CO1)C(=O)N(Cc3ccccc3)Cc4ccccc4)O	S1E	n,n-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide
+c1ccc(cc1)CNc2ccc(cc2)C(=O)O	S1G	4-[(phenylmethyl)amino]benzoic acid
+CCCCCCCCCCCCCCCCS(=O)(=O)OC[C@@H](C(=O)O)N	S1H	1-hexadecanosulfonyl-o-l-serine
+c1cc(cnc1)CNc2ccc(cc2N)C(=O)O	S1J	3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid
+B1(c2ccc(cc2[C@@H](O1)CC(=O)O)OCc3ccccc3)O	S1K	2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
+CC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC	S1M	methyl 2-[(2~{s})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate
+C/C(=C\CCCC=O)/CCC=O	S1N	(~{e})-4-methylnon-4-enedial
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O	S1P	(2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
+CN1C(=N/C(=C\c2ccc(cc2OC)O)/C1=O)/C=C/c3ccncc3	S1Q	(5~{z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{e})-2-pyridin-4-ylethenyl]imidazol-4-one
+c1ccc2c(c1)cccc2C[C@@H]3C\C=C\[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O	S1S	2-(4-((9s,10s,14s,z)-18-(2-amino-2-oxoethyl)-9-(carboxymethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl)phenyl)malonic acid
+Cc1c(sc(c1Cc2cnc(nc2N)C)[C@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O	S1T	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1s)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate
+CC(=O)N1CCC(CC1)C#N	S1V	1-ethanoylpiperidine-4-carbonitrile
+CN(C)c1cccc(c1)Oc2cnc(nc2)Nc3cccc(c3)O	S1W	3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol
+C1C[C@@H](CC[N@](C1)CCN)NC(=O)N2CC[C@H]([C@H]2C=O)NS(=O)(=O)O	S1Y	[(2s,3r)-1-{[(4s)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-2-formylpyrrolidin-3-yl]sulfamic acid
+CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc4c(c3)c[nH]n4	S1Z	(2~{r})-2-[[3-(2~{h}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
+Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)O	S20	(1s)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol
+c1cc(ccc1C(=O)CC(=O)C(F)(F)F)[N+](=O)[O-]	S21	4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione
+CC(C)S(=O)(=O)c1ccccc1Nc2cc(nc3c2cc[nH]3)Nc4ccc(cc4OC)N5CCC(CC5)O	S22	1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1h-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol
+C[C@H](N)[P@@](=O)(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)O	S23	n-{(2s)-3-[(1r)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-l-phenylalanine
+c1cc(c(cc1O)O)SC(=O)O	S24	s-(2,4-dihydroxyphenyl) hydrogen thiocarbonate
+c1cnc(cc1N2CCOCC2)Nc3ncc(s3)c4cc(cnc4)C(=O)NCCN	S25	n-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide
+CCOC(=O)C1=C(C(=O)N([C@@H]1c2cccs2)c3nc4ccc(cc4s3)Cl)O	S26	ethyl (2~{s})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{h}-pyrrole-3-carboxylate
+CC(C)C[C@H](C(=O)NO)[N@@](Cc1ccccc1)[P@@](=O)(C)c2ccccc2	S27	n-[[2-methyl-4-hydroxycarbamoyl]but-4-yl-n]-benzyl-p-[phenyl]-p-[methyl]phosphinamid
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)Cc3ccccc3)\\N	S28	n-(benzylsulfonyl)glycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)Cc3ccccc3)\\N	S29	n-(benzylsulfonyl)-d-alanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2c3cc4ccccc4cc3[C@@H]5[C@H]2C=C[C@]56c7cc(ccc7C=CC6=O)OC)NC)O)O	S2A	(1r,3a's,10's,10a'r)-7-methoxy-2-oxo-10',10a'-dihydro-2h,3a'h-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-alpha-d-galactopyranoside
+[B-]1(c2ccc(cc2C(=O)O1)/C=C/c3ccc4c(c3)C(=O)O[B-]4(O)O)(O)O	S2B	3-[(~{e})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one
+[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O	S2C	s-2-(boronoethyl)-l-cysteine
+C[C@H](C(=O)O)NC(=O)c1ccccc1	S2D	n-benzoyl-d-alanine
+C(CC(=O)O)[C@@H](C(=O)O)O	S2G	(2s)-2-hydroxypentanedioic acid
+SS	S2H	hydrogen disulfide
+c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCCO	S2I	3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol
+CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)OC	S2J	methyl 2-[(2~{r})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate
+C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N	S2K	(2~{s},6~{s})-2-azanyl-6-[[(4~{r})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid
+c1cc(c(cc1O)Cl)/C=C/c2cc(cc(c2)O)O	S2L	5-[(e)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
+CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC	S2M	2'-o-[2-(methoxy)ethyl]-2-thiothymidine-5'-monophosphate
+CCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)OC)O)O	S2N	s-[2-({n-[(2r)-2-hydroxy-4-{[(s)-hydroxy(methoxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] (3r)-3-hydroxydodecanethioate
+c1cc(ccc1CCO)S(=O)(=O)N	S2O	4-(2-hydroxyethyl)benzenesulfonamide
+C(c1c(nsn1)O)[C@@H](C(=O)O)N	S2P	(2s)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid
+C[C@H](c1cccc(c1)S(=O)(=O)N)NC(=O)c2cc3c(noc3nc2)C(C)C	S2Q	3-propan-2-yl-~{n}-[(1~{r})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
+CS(=O)(=O)Nc1ccc(cc1)C(=O)N	S2S	4-(methylsulfonylamino)benzamide
+CC(=O)O[C@@H](c1ccccc1Cl)C(=O)O	S2T	(2s)-(acetyloxy)(2-chlorophenyl)ethanoic acid
+CN1CCC(CC1)OC(=O)c2cccc(c2)F	S2V	(1-methylpiperidin-4-yl) 3-fluoranylbenzoate
+Cc1nc2ccccc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F	S2W	~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine
+CC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O	S2X	2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid
+COc1ccc(cc1)NCc2ccc(cc2)F	S2Y	~{n}-[(4-fluorophenyl)methyl]-4-methoxy-aniline
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccccc3)OC)OC	S2Z	6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-phenylethyl]quinazolin-4-amine
+Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)C#CCO)c(ncn5)N	S30	2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)(N=[N+]=[NH-])[O])CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	S31	[n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}propyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	S32	[n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}propyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper
+COc1ccc(cc1Cl)S(=O)(=O)N[C@@H](CC(=O)NCc2ccc(cc2)C#N)C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4CN)Cl	S33	(2s)-n-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2s)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide
+c1cnccc1CNC(=O)CC#N	S34	2-cyano-~{n}-(pyridin-4-ylmethyl)ethanamide
+Cc1ccccc1[C@H](CC(=O)O)NC(=O)c2cc(n(n2)c3ccccc3F)OC[C@@H](C(C)(C)C)O	S35	(3s)-3-({[1-(2-fluorophenyl)-5-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-1h-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid
+CC(C)c1cc(c(cc1O)O)C(=O)N2CCc3ccccc3C2	S36	3,4-dihydroisoquinolin-2(1h)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone
+CC(=O)N[C@@H](CCP(=O)(C[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	S37	(2~{s})-2-[[[(3~{s})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid
+c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)c3ccc(cc3)C#N	S38	4-cyano-n-[(1s,2r)-2-phenylcyclopropyl]benzamide
+CC(=O)N[C@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)C(=O)O	S3A	(2~{s})-2-[[[(3~{r})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
+CCC(=O)Oc1c(cccc1C(=O)O)C	S3B	3-methyl-2-(propanoyloxy)benzoic acid
+c1cc(c(c(c1Cl)/C=C(/C(=O)O)\S)Cl)Cl	S3C	(2z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid
+[O][Fe]1[S]([Fe]2[S]1[Fe]S2)[Fe]	S3F	oxidized [fe4-s3] cluster
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccncc3	S3G	5-[(2s)-4-methyl-2-[(pyridin-4-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid
+SSS	S3H	trisulfane
+c1ccc(cc1)C2CCN(CC2)CC(=O)O	S3J	2-(4-phenylpiperidin-1-yl)ethanoic acid
+Cn1c(cc(n1)CO)c2ccccc2	S3M	(1-methyl-5-phenyl-pyrazol-3-yl)methanol
+c1cc(ccc1C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O)C(F)(F)F	S3N	7-[(3s,4r)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one
+Cc1cccc(c1C)c2c3c(cc(n2)NC(=O)C)NCCC3	S3O	n-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
+C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O	S3P	shikimate-3-phosphate
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)C(F)(F)F)OC)OC	S3Q	6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
+CCOC(=O)Cc1ccncc1	S3S	ethyl 2-pyridin-4-ylethanoate
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)N)OC)OC	S3T	~{n}-[(1~{r})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
+c1cnccc1C(=O)O	S3V	pyridine-4-carboxylic acid
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CNC(=O)CCC(=O)N[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O	S3W	n-[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]-n'-[(1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]butanediamide
+c1cc(ccc1N2C[C@@H](NN2)CO)Cl	S3Y	[(4s)-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)OC)OC	S3Z	~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
+Cc1ccc(cc1NS(=O)(=O)c2ccc(cc2)C3CC3)C(=O)NCc4cccnc4	S40	3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-n-(pyridin-3-ylmethyl)benzamide
+Cc1cc2c(o1)cc(cc2Oc3cnc(nc3)C(=O)N(C)C)C(=O)Nc4cnc(cn4)C	S41	n,n-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide
+Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)CN	S42	6-[(2r)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine
+CC(C)[C@H]1C(=O)NCCCCCCCCCCCOC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccccc2	S43	(4~{s},5~{s},9~{s})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O	S44	(2s)-2-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid
+c1cc(ccc1c2nc(on2)[C@@H]3CCCNC3)Cl	S45	(3r)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine
+CN1CCN(CC1)C(=O)c2ccc(cc2)O	S46	(4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone
+c1ccc2c(c1)cccc2CC(=O)O[C@H]3CNC[C@@H]3OC(=O)Cc4cccc5c4cccc5	S47	(3s,4s)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate)
+Cn1cc(nc1)S(=O)(=O)[N@@](CC(=O)OC)[C@H]2Cc3cc(ccc3N(C2)Cc4cncn4C)c5ccccc5	S48	methyl n-{(3s)-1-[(1-methyl-1h-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydroquinolin-3-yl}-n-[(1-methyl-1h-imidazol-4-yl)sulfonyl]glycinate
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)Cc4ccccc4)\N	S49	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](S3)COP(=O)(O)O)O)N	S4A	2'-deoxy-4'-thioadenosine 5'-(dihydrogen phosphate)
+B(c1ccc(cc1)/C=C/c2cc(cc(c2)O)O)(O)O	S4B	{4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](S2)COP(=O)(O)O)O)O	S4C	4'-thio-4'-deoxy-cytosine-5'-monophosphate
+C[C@H]1CC[C@H](C1)NCc2ccc3c(c2)OCO3	S4D	(1r,3s)-n-[(2h-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine
+COc1cc2c(cc1OCC3CCNCC3)c(ncn2)Nc4cnc(nc4)OCCC5CC5	S4E	n-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](S3)COP(=O)(O)O)O)N=C(NC2=O)N	S4G	2'-deoxy-4'-thioguanosine 5'-(dihydrogen phosphate)
+SS(=S)S	S4H	trithiosulfurous acid
+CC1=C(C(=O)N(N1C)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4c(c[nH]5)c6ccccc6	S4K	1-(4-fluorophenyl)-n-[3-fluoro-4-[(3-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
+C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	S4M	5'-[(s)-(3-aminopropyl)(methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine
+C[C@@H]1CN(CCN1)c2cnc(nc2NC3CCOCC3)Nc4cc(c(c(c4)F)OCC5CC5)F	S4N	(r)-n2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-n4-(tetrahydro-2h-pyran-4-yl)pyrimidine-2,4-diamine
+SSSS	S4P	dihydrogen tetrasulfide
+CNc1c2c(nc(n1)OC3CCCC3)n(cn2)Cc4c(cccc4F)F	S4Q	2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-n-methyl-9h-purin-6-amine
+c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCn4ccnc4C3)Oc5cc(ncn5)NC(=O)C6CC6	S4T	n-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide
+C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	S4U	4-thiouridine-5'-phosphate
+c1ccc(c(c1)N)Nc2ccccn2	S4V	~{n}2-pyridin-2-ylbenzene-1,2-diamine
+CN(Cc1ccc2nccn2c1)c3nnc(o3)c4ccc(cc4)c5ccccc5Cl	S4W	5-(2'-chloro-[1,1'-biphenyl]-4-yl)-n-(imidazo[1,2-a]pyridin-6-ylmethyl)-n-methyl-1,3,4-oxadiazol-2-amine
+c1cc(ccc1[C@H]2CC[C@H](O2)C(=O)NN)Cl	S4Y	(2r,5s)-5-(4-chlorophenyl)oxolane-2-carbohydrazide
+CNC(=O)c1c(nc(s1)N2CC3CC2(C3)CNC(=O)c4c[nH]c5c4cc(cn5)Cl)C(F)(F)F	S4Z	2-(1-((5-chloro-1h-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-n-methyl-4-(trifluoromethyl)thiazole-5-carboxamide
+c1ccc(cc1)Cc2c(c3ccccc3n2c4ccccc4)C(=O)N5CCNCC5	S51	2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indole
+c1ccc(cc1)n2c3ccccc3c(c2Oc4ccccc4)C(=O)N5CCNCC5	S52	2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indole
+Cc1ccc(cc1Oc2c(c3ccnc(c3n2c4ccccc4)Cc5ccccc5)C(=O)N6CCNCC6)F	S53	[7-benzyl-2-(5-fluoro-2-methylphenoxy)-1-phenyl-1h-pyrrolo[2,3-c]pyridin-3-yl](piperazin-1-yl)methanone
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NS(=O)(=O)Cc3ccccc3)\\N	S54	n-(benzylsulfonyl)-d-valyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+CC[C@@H]1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)C[C@H]3c4c(c5ccccc5[nH]4)CCN3	S55	methyl (2s,3r,4s)-3-ethyl-2-(beta-d-glucopyranosyloxy)-4-[(1s)-2,3,4,9-tetrahydro-1h-beta-carbolin-1-ylmethyl]-3,4-dihydro-2h-pyran-5-carboxylate
+CC(C)NC(=O)[C@@H](Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Oc4ccccc4)C#N	S56	(2s)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)propanamide
+COc1ccc(c(c1)Cl)OCCCCCCn2ccnc2	S57	1-[6-(2-chloro-4-methyxyphenoxy)-hexyl]-imidazole
+c1cc(ccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F)Br	S58	1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenylpyrazole
+c1cc(ccc1CCC(=O)O)c2ccc(cc2)O	S5A	3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
+Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)O	S5B	4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid
+Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)N	S5D	(r)-6-(2-amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
+Cc1c(c(on1)c2c(nns2)C)C(=O)N[C@H](CCc3ccccc3)C(=O)N[C@H](CC(=O)NC)c4ccc(cc4)C(F)(F)F	S5E	3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-n-((r)-1-(((r)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide
+CC1([C@@H](SC(=S)N1C)NO)C	S5G	(5~{r})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C	S5H	5-alpha-pregnane-3-beta-ol-hemisuccinate
+COc1ccccc1N2CCN(CC2)CC#N	S5J	2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile
+B([C@H](Cc1coc2c1cccc2)NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)(O)O	S5K	[(1r)-2-(1-benzofuran-3-yl)-1-{[(1s,2r,4r)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid
+CC(C)(C)c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3	S5M	4-~{tert}-butyl-~{n}-[[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)S	S5P	6-sulfanyluridine-5'-phosphate
+SSS(S)S	S5S	2-sulfanyl-2lambda~4~-tetrasulfane
+O=[W]123(=O)O[W]45(=O)(=O)O1[Si]67O89[W]1%10(=O)(=O)O[W]%11%12(=O)(=O)O66[W]%13(=O)(O4)(O%11)O[W]4%11(=O)(O5)O75[W]7(=O)(O2)(O4)O[W]8(=O)(O3)(O1)O[W]91(=O)(O%10)O[W]6(=O)(O%12)(O%13)O[W]5(=O)(O7)(O%11)O1	S5T	monolacunary keggin (sta)
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC	S5W	macrocyclic safit analogue 55
+CCOCCOCCS	S5Y	2-(2-ethoxyethoxy)ethanethiol
+c1ccc(cc1)c2ccc(c(c2)CS)C(=O)O	S5Z	4-phenyl-2-(sulfanylmethyl)benzoic acid
+Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N	S60	6-amino-2-methyl-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+Cc1ccccc1[C@H](CC(=O)O)NC(=O)C2=CC(=O)N(N2)c3ccccc3F	S61	(s)-3-{[1-(2-fluoro-phenyl)-5-hydroxy-1h-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid
+c1cc2c(cc1S(=O)(=O)O)nc(s2)S(=O)(=O)O	S62	1,3-benzothiazole-2,5-disulfonic acid
+COc1ccc(cc1)C2=NCC[C@@H]3[C@@H]2CCS3	S64	(3~{a}~{r},7~{a}~{r})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine
+[C@@H]12[C@@H]([C@H]([C@H]3[C@@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl	S65	heptachlor endo-epoxide
+C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	S68	endosulfan
+Cc1cc(cc(c1/C=N/NC(=O)Cc2cccc(c2)OC)O)O	S69	n'-[(e)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
+c1cc(c(cc1CO)Cl)n2ccnc2	S6B	3-chloranyl-4-imidazol-1-yl-benzaldehyde
+C[C@H]1CCN1c2nc(cc(n2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F	S6D	2-[(1~{s},5~{r})-3-[2-[(2~{s})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid
+C1[C@@H]2[C@H]([C@@H]([C@@H]1Cl)Cl)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	S6E	(-)cis-chlordane
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=S)N	S6G	6-thio-2'-deoxyguanosine-5'-monophosphate
+C1[C@H]2[C@@H]([C@H]([C@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	S6H	(+)cis-chlordane
+c1cc(ccc1NC(=O)NC2CCCC2)S(=O)(=O)N	S6I	4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide
+C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@@H]4[C@H](C3)C4CO)C(F)(F)F)C#N)O	S6J	6-[(1~{s},5~{r})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+c1ccc(cc1)Cn2c3ccc(cc3c(c2N)C#N)Oc4ccc(cc4)NC(=O)CN	S6L	2-amino-n-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide
+CC1(CC(CC(N1O)(C)C)n2cc(nn2)[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=O)NC4=O)COP(=O)(O)O)O)C	S6M	[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate
+C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O	S6P	d-sorbitol-6-phosphate
+c1ccc(cc1)CNCCOc2cccc3c2ccn3S(=O)(=O)c4ccccc4	S6Q	~{n}-(phenylmethyl)-2-[1-(phenylsulfonyl)indol-4-yl]oxy-ethanamine
+C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F)C#N)O	S6S	2-[(1~{r},5~{s})-3-[5-cyano-6-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid
+CCCOCCN(c1c(cccc1CC)CC)C(=O)CCl	S6T	pretilachlor
+c1ccc(cc1)NC(=O)NCCN2CCCC2=O	S6V	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
+c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F	S6W	fipronil
+CC(C)CC1=NC(=O)NC(=C1)C(=O)O	S6Y	6-(2-methylpropyl)-2-oxidanylidene-5~{h}-pyrimidine-4-carboxylic acid
+CC(C)Oc1cc(c(cc1Cl)Cl)N2C(=O)OC(=N2)C(C)(C)C	S6Z	oxadiazon
+C([C@@H](C(=O)CP(=O)(O)O)O)OP(=O)(O)O	S70	3-hydroxy-2-oxo-4-phophonoxy- butyl)-phosphonic acid
+Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@@H](Cc3cc(cc(n3)N)C)CN	S71	(r)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine
+Cc1c(nnn1Cc2ccccc2)C(=O)NC3CCC(CC3)CC(=O)N(Cc4ccc(cc4)F)CC(=O)NC	S72	1-benzyl-n-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1h-1,2,3-triazole-4-carboxamide
+c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N+](=O)[O-])CO)OC(F)(F)F	S73	(2-nitro-4-{[(3s)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol
+c1ccc(cc1)[C@@H]2[C@@H](C2NC(=O)N3CCC(CC3)Oc4ccc(cc4)CCC(=O)O)c5ccccc5	S74	3-{4-[(1-{[(1s,2r,3s)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid
+CNC1=CC(=O)NC(=O)N1	S76	6-(methylamino)-1h-pyrimidine-2,4-dione
+Cn1cnnc1C2CCN(CC2)c3c(cccn3)c4ccc(nc4)F	S77	2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine
+CC(C)(C)OC(=O)N1CCC[C@@H](C1)C[NH2+]CCOc2cccc3c2ccn3Cc4ccccc4	S78	2-((1-benzyl-1h-indol-4-yl)oxy)-n-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium
+c1ccc2c(c1)cccc2CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N	S79	6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C1CN(CCN1)C(=O)CC(F)(F)F	S7A	3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one
+Cc1cccc(c1OC(=O)C2CC2)C(=O)O	S7B	2-[(cyclopropylcarbonyl)oxy]-3-methylbenzoic acid
+C[C@H]1CN(CCO1)C(=O)Cn2cccn2	S7D	1-[(2~{s})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone
+Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)NCC[C@@H](C=O)N)C)C)N	S7E	4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-~{n}-[2-[[(3~{s})-3-azanyl-4-oxidanylidene-butyl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide
+CC(=O)N[C@@H]1Cc2ccccc2NC1	S7G	~{n}-[(3~{r})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide
+C[C@H](CN1C(=O)N(C(=O)N(C1=O)C[C@@H]2CO2)C[C@H]3CO3)O	S7H	1-[(2~{r})-2-oxidanylpropyl]-3-[[(2~{r})-oxiran-2-yl]methyl]-5-[[(2~{s})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
+c1c(cnc(n1)C(F)(F)F)C(=O)N	S7J	2-(trifluoromethyl)pyrimidine-5-carboxamide
+Cc1ccnc(c1)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N	S7K	(s)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
+CC[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	S7M	[(3s)-3-amino-3-carboxypropyl]{[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethyls ulfonium
+C[C@@H](C(=O)N[C@@H](CCSC)C(=O)C)NC(=O)[C@@H](C(C)C)NC(=O)OCc1ccccc1	S7N	(phenylmethyl) ~{n}-[(2~{r})-3-methyl-1-[[(2~{s})-1-[[(3~{s})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate
+C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O	S7P	1-c-(hydroxymethyl)-6-o-phosphono-beta-d-altrofuranose
+C[C@H](C(=O)N[C@H](CCSC)C(=O)C)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1	S7Q	(phenylmethyl) ~{n}-[(2~{s})-3-methyl-1-[[(2~{r})-1-[[(3~{r})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate
+CCCC(=O)Nc1nnn(n1)CC	S7S	~{n}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide
+CCc1c(c([nH]c1C(=O)Nc2cccc(c2)CCC(=O)NO)C)C(=O)C	S7T	4-acetyl-3-ethyl-n-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)CN2CCO[C@H](C2)CO	S7V	[(2~{r})-4-(phenylmethyl)morpholin-2-yl]methanol
+C1C[C@@H](OC1)N2C=C(C(=O)NC2=O)F	S7W	tegafur
+Cc1c([nH]cn1)CN2CCc3c(c4ccccc4n3C)C2=O	S7Y	alosetron
+c1c(cc(c(c1F)/N=N\c2c(cc(cc2F)CO)F)F)CO	S7Z	(e)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol
+CC(C)C[C@H](C(CCCO)C(=O)NO)C(=O)N[C@H]1CCCCN(C1=O)CCOC	S80	n1-hydroxy-2-(3-hydroxy-propyl)-3-isobutyl-n4-[1-(2-methoxy-ethyl)-2-oxo-azepan-3-yl]-succinamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)F)O)N)O)O)N	S81	(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-glucopyranoside
+CC(C)c1nc(on1)C2CCN(CC2)C(=O)N[C@H]3C[C@@H]3c4ccccc4	S82	4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-n-[(1s,2r)-2-phenylcyclopropyl]piperidine-1-carboxamide
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C(F)(F)F	S84	n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(trifluoromethyl)phenyl)-n1,n2-dimethylethane-1,2-diamine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC	S85	n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-n1,n2-dimethylethane-1,2-diamine
+Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O	S87	ondansetron
+C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)F	S88	n-[(3-fluorophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
+c1ccc(cc1)C[C@@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3	S89	n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-nalpha-[(2e)-3-phenylprop-2-enoyl]-l-phenylalaninamide
+c1ccc2c(c1)C(=O)N(S2(=O)=O)CC(=O)O	S8A	(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)acetic acid
+CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2	S8B	~{n}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide
+CCNC(=O)CN1C[C@H](OC[C@@H]1C)C	S8D	2-[(2~{r},5~{s})-2,5-dimethylmorpholin-4-yl]-~{n}-ethyl-ethanamide
+CCN[P@](=O)(NCCBr)OCc1cnc(n1C)N(O)O	S8E	5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{n},~{n}-bis(oxidanyl)imidazol-2-amine
+c1cc(cc(c1)F)CCCNCc2ccnc(n2)n3ccnc3	S8F	3-(3-fluorophenyl)-n-{[2-(1h-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine
+C1C[C@H](CN(C1)C(=O)CCC(F)(F)F)N	S8G	1-[(3~{r})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one
+CC(C)OC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@@H](C(=O)O)N	S8H	(2~{s})-2-azanyl-5-oxidanylidene-5-[[(2~{s})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid
+CCOc1cccc(c1)C(=O)Nc2nnn(n2)C	S8J	3-ethoxy-~{n}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
+CC(C)(C)OC(=O)N1CCC[C@H](C1)CNCCOc2cccc3c2ccn3S(=O)(=O)c4ccccc4	S8K	~{tert}-butyl (3~{s})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](c4[nH]nnn4)N)O)O)N	S8M	(2~{r},3~{r},4~{s},5~{s})-2-(6-aminopurin-9-yl)-5-[[(3~{s})-3-azanyl-3-(1~{h}-1,2,3,4-tetrazol-5-yl)propyl]sulfanylmethyl]oxolane-3,4-diol
+CC1(C(=O)N[C@@H](C(=O)N2CCCC[C@H]2C(=O)O[C@@H](c3cccc(c3)OCC(=O)N1C)CCc4ccc(c(c4)OC)OC)C5CCCCC5)C	S8N	(2~{r},5~{s},12~{r})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
+Cc1cc(ns1)C(=O)NC[C@@H]2CCCO2	S8P	5-methyl-~{n}-[[(2~{s})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide
+C[C@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C(/C)\c2ccc(c(c2)OC3CCCC3)OC	S8Q	2-[(~{z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{s},6~{s})-2,6-dimethylmorpholin-4-yl]ethanone
+CC(C)c1ccc2c(c1)CCc3ccc(cc3S2)F	S8T	9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine
+C1COC[C@@H]1CNC2CC2	S8V	~{n}-[[(3~{s})-oxolan-3-yl]methyl]cyclopropanamine
+CC(=O)Nc1cc(ccc1[C@@H]2C[C@H]2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5	S8W	~{n}-[2-[(1~{r},2~{r})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide
+CC(C)(C)NC(=O)[C@@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3	S8Y	5-[[[(1r)-2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+COCC#Cc1cccc(c1)[C@@]2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(cc4)OC(F)F	S8Z	(8r)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(3-methoxyprop-1-yn-1-yl)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(CCNC)C3CC3	S90	n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-n1-cyclopropyl-n2-methylethane-1,2-diamine
+Cc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)CC(=O)O)C(=O)N	S91	[4-({5-(aminocarbonyl)-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid
+c1c(nc2c(cnn2c1NC3CC3)C#N)c4c(n(nn4)CCN5CCCCC5)C6=CNC(=O)C=C6	S92	7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1h-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC(CC3)Oc4ccccc4	S94	4-phenoxy-n-[(1s,2r)-2-phenylcyclopropyl]piperidine-1-carboxamide
+c1cc2cnccc2c(c1)S(=O)(=O)O	S95	isoquinoline-5-sulfonic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3ccc4cc[nH]c4n3	S97	6-(2-{3-(aminomethyl)-5-[2-(1h-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine
+c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N	S98	6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1ccc(cc1)CCCCCCC(c2nc(co2)c3ccccn3)(O)O	S99	7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
+Cc1cc(ccc1CNC(=O)N2CC(C2)OC(C)C)c3ccnc(n3)Nc4cnn(c4)C	S9A	~{n}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide
+c1cc2cnccc2c(c1)C(=O)O	S9B	isoquinoline-5-carboxylic acid
+c1cnc(nc1)Oc2ccc(cc2)[C@@H]3CCNN3	S9D	2-[4-[(3~{s})-pyrazolidin-3-yl]phenoxy]pyrimidine
+c1cc(ncc1C=O)n2ccnc2Br	S9E	6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde
+C1C[C@H](OC1)C(=O)N2CCN(CC2)C(=O)C3CC3	S9G	cyclopropyl-[4-[(2~{s})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone
+COc1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4	S9H	7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
+COc1ccccc1OCC(=O)NN	S9J	2-(2-methoxyphenoxy)ethanehydrazide
+c1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4	S9K	7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
+C(COCCOCCOP(=O)(O)O)O	S9L	2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate
+c1c(cc(c(c1[C@H]2CCNN2)O)F)F	S9M	2,4-difluoro-6-[(3s)-pyrazolidin-3-yl]phenol
+c1cc(ccc1c2ccn(c2C(=O)O)S(=O)(=O)N)F	S9N	3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid
+Cc1nc2ccc(cc2o1)O	S9P	2-methyl-1,3-benzoxazol-6-ol
+c1ccc(c(c1)CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)C(F)(F)F	S9Q	5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{h}-pyridazin-6-one
+CS(=O)(=O)NCCc1ccc(cc1)F	S9S	~{n}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
+COc1ccc(cc1OC)C[C@H]2c3cc(c(cc3CCN2)OC)OC	S9T	(1~{s})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
+CC(C)(CO)NC(=O)Nc1ccc(cc1)Cl	S9V	1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea
+c1cc(cc(c1)NC(=O)C2(CCOCC2)C=O)CN3CCN(CC3)Cc4ccc(cc4)Br	S9W	~{n}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide
+CCCCCCCCCC(=O)O[C@@H](C)COP(=O)(O)OCC[N+](C)(C)C	S9Y	2-[[(2~{s})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br	S9Z	~{n}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
+c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	SA0	2-(hydroxymethyl)phenyl beta-d-glucopyranoside
+C[C@@]12[C@@H](CCO1)C(=O)N[C@]2(C=O)[C@H]([C@H]3CCCC=C3)O	SA1	(3ar,6r,6as)-6-((s)-((s)-cyclohex-2-enyl)(hydroxy)methyl)-6a-methyl-4-oxo-hexahydro-2h-furo[3,2-c]pyrrole-6-carbaldehyde
+C[C@](COC(=O)CCCC(=O)O)([C@H](C(=O)O)N\C=C\C=O)[S@](=O)O	SA2	(3r)-4-[(4-carboxybutanoyl)oxy]-n-[(1e)-3-oxoprop-1-en-1-yl]-3-sulfino-d-valine
+c1cc2c(cc1O)[nH]c3c2c4c(c5c3n(c6c5ccc(c6)O)C7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)NC4=O	SA3	2,10-dihydroxy-12-(beta-d-glucopyranosyl)-6,7,12,13-tetrahydroindolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-dione
+CC[C@H]1C(=O)N[C@]([C@@]1(C)O)(C=O)[C@H]([C@H]2CCCC=C2)O	SA6	(2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde
+C[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	SA8	s-5'-azamethionine-5'-deoxyadenosine
+c1ccc(c(c1)CO)O	SA9	2-(hydroxymethyl)phenol
+C[C@](c1ccccc1)(C(=O)O)O	SAA	(s)-atrolactic acid
+c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N	SAB	4-sulfonamide-[1-(4-aminobutane)]benzamide
+CC(=O)N[C@@H](CO)C(=O)O	SAC	n-acetyl-serine
+c1c(nc([se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N	SAD	beta-methylene-selenazole-4-carboxyamide-adenine dinucleotide
+c1c(nc([se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	SAE	selenazole-4-carboxyamide-adenine dinucleotide
+C[C@@H](c1cccc(c1)O)N(C)C	SAF	3-[(1s)-1-(dimethylamino)ethyl]phenol
+C[C@@H](C(=O)N)/N=C/c1ccc(cc1)OCc2cccc(c2)F	SAG	(s)-(+)-2-[4-(fluorobenzyloxy-benzylamino)propionamide]
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N	SAH	s-adenosyl-l-homocysteine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[Se]CC[C@@H](C(=O)O)N)O)O)N	SAI	s-adenosyl-l-homoselenocysteine
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O	SAJ	(2s,3s,4r,5s,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid
+COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O	SAK	(2s)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4h-chromen-4-one
+c1ccc(c(c1)C(=O)O)O	SAL	2-hydroxybenzoic acid
+C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	SAM	s-adenosylmethionine
+c1cc(ccc1N)S(=O)(=O)N	SAN	sulfanilamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)[NH3+])O)O)N	SAO	5'-s-[(3s)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=S)(O)O)O)O)N	SAP	adenosine-5'-diphosphate monothiophosphate
+c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=CNC4=O	SAQ	2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CNCC(=O)O	SAR	sarcosine
+c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O	SAS	2-hydroxy-(5-([4-(2-pyridinylamino)sulfonyl]phenyl)azo)benzoic acid
+C(C(=O)O)S(=O)(=O)O	SAT	sulfoacetic acid
+C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6	SAU	13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium
+Cc1c2ccc(cc2[nH]n1)Nc3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC	SAV	n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O	SAW	(1r,3s,5r,7s)-n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+CCCCCCCCCCCCOc1cccc(c1C(=O)O)O	SAX	2-(dodecyloxy)-6-hydroxybenzoic acid
+c1cc(c(cc1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O)C=O	SAY	[(2r,3s,5r)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC1=CC[C@@H](CC1)[N@@H+](C)CCC=C(C)C	SAZ	(1s)-n,4-dimethyl-n-(4-methylpent-3-enyl)cyclohex-3-enaminium
+[Sb+3]	SB	antimony (iii) ion
+COc1nccc(n1)c2c(ncn2C3CCC(CC3)O)c4ccc(cc4)F	SB0	trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1h-imidazol-1-yl]cyclohexanol
+CC1(COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O)C	SB1	(21s)-1aza-4,4-dimethyl-6,19-dioxa-2,3,7,20-tetraoxobicyclo[19.4.0] pentacosane
+C[S@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4	SB2	4-[5-(4-fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-3h-imidazol-4-yl]-pyridine
+CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc2ccccc2)c3ccccc3	SB3	1,3-diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate
+c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F	SB4	4-(4-fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole
+c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccnc(n4)N)F	SB5	4-(fluorophenyl)-1-cyclopropylmethyl-5-(2-amino-4-pyrimidinyl)imidazole
+c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccncc4)F	SB6	4-(4-fluorophenyl)-1-cycloropropylmethyl-5-(4-pyridyl)-imidazole
+c1ccc(cc1)CCCN(CO)O	SB7	[hydroxy(3-phenylpropyl)amino]methanol
+c1ccc(cc1)C(=O)c2cccc(c2)OCCN(C=O)O	SB8	2-(3-benzoylphenoxy)ethyl(hydroxy)formamide
+Cc1cccc(n1)CCCN(C=O)O	SB9	hydroxy[3-(6-methylpyridin-2-yl)propyl]formamide
+CC(C)C[C@@H]([C@@H](COC)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	SBA	carbobenzyloxy-(l)-leucinyl-(l)leucinyl methoxymethylketone
+CC[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)c2ccc3c(c2)cc[nH]3	SBB	n-[2-(1h-indol-5-yl)-butyl]-4-sulfamoyl-benzamide
+c1cc(ccc1n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N)S(=O)(=O)N	SBC	1-[4-(aminosulfonyl)phenyl]-1,6-dihydropyrazolo[3,4-e]indazole-3-carboxamide
+[B-]([C@@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N	SBD	d-naphthyl-1-acetamido boronic acid alanine
+B1(OCCO1)O	SBE	1,3,2-dioxaborolan-2-ol
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CC34CC5CC(C3)CC(C5)C4	SBF	n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
+C[P@](=O)(O)OC[C@@H](C(=O)O)N	SBG	o-[(s)-hydroxy(methyl)phosphoryl]-l-serine
+C[C@](CCO[P@@](=O)(O)OP(=O)(O)O)(CBr)O	SBH	(s)-4-bromo-3-hydroxy-3-methylbutyl diphosphate
+c1cc2c(cc1F)[C@@]3(CCO2)C(=O)NC(=O)N3	SBI	sorbinil
+CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN	SBJ	[(2~{s})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] octadecanoate
+c1c(c(nc(c1Cl)Cl)OCC(=O)O)Cl	SBK	triclopyr
+[B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N	SBL	l-naphthyl-1-acetamido boronic acid alanine
+CCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	SBM	2-[[(2~{s})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
+Cc1cc(cc(c1)S(=O)(=O)c2cccc(c2C#N)N)C	SBN	2-amino-6-(3,5-dimethylphenyl)sulfonylbenzonitrile
+O[Sb](O)O	SBO	trihydroxyantimonite(iii)
+B1(OCCO1)OCCCNC(=[NH2+])N	SBP	[3-(1,3,2-dioxaborolan-2-yloxy)propyl]guanidine
+COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	SBQ	methyl 3-[3-chloranyl-4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate
+C[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3	SBR	(r)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
+C[C@@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3	SBS	(s)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
+CC[C@H](C)O	SBT	2-butanol
+CCCC	SBU	sec-butyl group
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([C@H]([C@@](CO4)(C)O)NC)O)N)N)N)O	SBV	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-beta-l-threo-hexopyranoside
+c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O)N	SBW	n-(3-hydroxybenzyl)-4-sulfamoylbenzamide
+CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc2ccccc2)C3CCCCC3	SBX	1-cyclohexyl-3-phenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate
+CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]	SBY	3-[dodecyl(dimethyl)ammonio]propane-1-sulfonate
+B1(OCCO1)OCc2ccc(cc2)C(=[NH2+])N	SBZ	[4-(1,3,2-dioxaborolan-2-yloxy)methyl]benzamidine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)O)O	SC	2-deoxy-cytidine-5'-thiophosphorate
+CCCCC\C=C\CC(C\C=C\CCCCC)(P(=O)(O)O)P(=O)(O)O	SC0	(6e,11e)-heptadeca-6,11-diene-9,9-diylbis(phosphonic acid)
+C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O	SC1	[3r-[3a,4a,5b(s*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid
+CC(=O)N[C@@H](CS)C(=O)O	SC2	n-acetyl-l-cysteine
+CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C	SC3	7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
+COc1ccc(c(c1)Cl)OCc2ccc(cc2)COc3c(cccc3Cl)Cl	SC4	1[2-chloro-4-methoxy-phenyl-oxymethyl]-4-[2,6-dichloro-phenyl-oxymethyl]-benzene
+C[C@H](c1ccccc1)NC(NCC(O)O)Nc2ccc(cc2)CN	SC5	2-[((r)-{[4-(aminomethyl)phenyl]amino}{[(1r)-1-phenylethyl]amino}methyl)amino]ethane-1,1-diol
+Cc1cc(cc(c1)C(=O)N2CCC[C@@H]2COC)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4C[C@H](CN4)Oc5ccccc5)O	SC6	n-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl}-3-{[(2r)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)OCC)O)C	SC7	n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-[(2r,4s)-4-ethoxypiperidin-2-yl]-2-hydroxyethyl}-5-methyl-n,n-dipropylisophthalamide
+c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)ccn3)NCc4ccncc4	SC8	5-(2,3-dichlorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+c1ccc(c(c1)c2cn3ccnc3c(n2)NCc4cccnc4)F	SC9	6-(2-fluorophenyl)-n-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
+CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O	SCA	succinyl-coenzyme a
+COCCN1C(=O)C(=Cc2ccc(o2)c3ccc(c(c3)C(=O)O)Cl)SC1=Nc4ccccc4	SCB	2-chloro-5-(5-{(e)-[(2z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)benzoic acid
+CCS	SCC	thioethyl group
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)CCC(=O)O)O	SCD	succinyl(carbadethia)-coenzyme a
+Cc1cnc2n1ccnc2NCc3ccncc3	SCE	3-methyl-n-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
+c1ccc(c(c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F	SCF	5-(2-fluorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC=O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	SCG	secologanin
+CSSC[C@@H](C(=O)O)N	SCH	s-methyl-thio-cysteine
+C(C[C@@H](C(=O)O)N)C/N=C(/N)\S	SCI	l-thiocitrulline
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4cccnc4	SCJ	3-bromo-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C	SCK	2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(n,n,n-trimethylethanaminium)
+CC(=O)ONC(=O)c1ccccc1O	SCL	acetic acid salicyloyl-amino-ester
+C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O	SCM	spectinomycin
+C(#N)[S-]	SCN	thiocyanate ion
+CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)O)O	SCO	succinamide-coa
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2CONC2=O)O	SCP	[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-n,o-cycloserylamide
+c1ccc(cc1)c2cc3c(cnn3c(c2)NCc4cncnc4)Br	SCQ	3-bromo-5-phenyl-n-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	SCR	sucrose octasulfate
+CCSSC[C@@H](C(=O)O)N	SCS	3-(ethyldisulfanyl)-l-alanine
+CC1=CN(C(=O)NC1=O)[C@]23C[C@H]2[C@@H]([C@H](C3)O)CO	SCT	(south)-methanocarba-thymidine
+C[N+](C)(C)CCOC(=O)CCC=O	SCU	n,n,n-trimethyl-2-[(4-oxobutanoyl)oxy]ethanaminium
+CC(C)[C@H](C(=O)O)OC(=O)[C@H](C(=O)S)NC(=O)CCC[C@@H](C(=O)O)N	SCV	n6-[(1s)-2-{[(1r)-1-carboxy-2-methylpropyl]oxy}-1-(mercaptocarbonyl)-2-oxoethyl]-6-oxo-l-lysine
+c1ccc(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4	SCW	3-bromo-6-phenyl-n-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
+CCc1cnn2c1nc(cc2NCc3cnc(nc3)N)c4c(cccc4F)F	SCX	n-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
+CC(=O)SC[C@@H](C(=O)O)N	SCY	s-acetyl-cysteine
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)C4CC4)NCc5cccnc5	SCZ	3-cyclopropyl-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+Cc1cc2c(n1c3ccc(c(c3)Nc4cc(c(c(c4)OC)OC)OC)C(=O)N)CC(CC2=O)(C)C	SD1	2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide
+CSCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)CS	SD2	n-(sulfanylacetyl)tyrosylprolylmethioninamide
+C([C@H](C(=O)O)N)C(=O)NO	SD3	n-hydroxy-d-asparagine
+C([C@@H](C(=O)O)N)C(=O)NO	SD4	n-hydroxy-l-asparagine
+c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F	SD5	5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
+CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4ccccc4SC3	SD8	2-[4-(2h-1,4-benzothiazine-3-yl)-piperazine-1-ly]-1,3-thiazole-4-carboxylic acid ethylester
+c1c(cc(c(c1Cl)N)Cl)S(=O)(=O)N	SDA	4-amino-3,5-dichlorobenzenesulfonamide
+C1CN=C(N[C@@H]1C(=O)O)[C@@H](CO)N	SDB	(4s)-2-[(1s)-1-amino-2-hydroxyethyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
+C(CS(=O)(=O)N)SC[C@@H](C(=O)O)N	SDC	s-[2-(aminosulfonyl)ethyl]-d-cysteine
+C([C@H]([C@@H]([C@H](C(=O)CO)O)O)O)O	SDD	d-sorbose
+c1nc2c(c(n1)N3C[C@@H]([C@H](C3)O)O)ncn2[C@H]4C[C@@H]([C@H](O4)COP(O)(O)O)O	SDE	(s,s)-n6,n6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate
+c1cc(c(cc1Cl)Cl)C(P(=O)(O)O)S	SDF	[(r)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2[SeH])N	SDG	2-amino-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purine-6-selenol
+C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]23C(=O)N=C(N3)N)COP(O)(O)O)O	SDH	(5s)-7-amino-1-[2-deoxy-5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione
+c1ccc(cc1)NCCC(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O	SDJ	(2s)-3-(1h-imidazol-5-yl)-2-({[(3s,4ar,8as)-2-(n-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
+CC(C)C[C@@H](C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2	SDK	1,3-bis[[n-[(phenylmethoxy)carbonyl]-l-leucyl]amino]-2-propanone
+C=CCN1C2=C(N=C(NC2=O)N)N(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	SDL	2-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{h}-purine-6,8-dione
+CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)O	SDN	[(3s)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3h-benzo[g]isochromen-3-yl]acetic acid
+CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(O)O)O	SDO	n~3~-{(2s)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide
+CCOP(=O)(OCC)OC[C@@H](C(=O)O)N	SDP	2-amino-3-(diethoxy-phosphoryloxy)-propionic acid
+c1ccc(cc1)CS	SDQ	phenylmethanethiol
+CCCCCCC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C	SDR	(2s)-2-[(n-acetyl-l-alpha-aspartyl)amino]nonanoic acid
+CCCCCCCCCCCCOS(=O)(=O)O	SDS	dodecyl sulfate
+Cc1ccc(c(c1CC[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C)O)O	SDT	3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione
+c1ccc2c(c1)c(on2)C(=O)N[C@@H]3CCCc4c3cnn4c5ccccc5F	SDV	n-[(4r)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1-benzoxazole-3-carboxamide
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H]([C@@H](NCCC(=O)NCCCC(=O)C[C@@](CC(=O)O)(C(=O)O)O)O)O	SDX	s-citryldethia coenzyme a
+C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O	SDY	beta-d-talopyranose
+c1ccnc(c1)N2CCN(CC2)C[C@@H](COc3ccc(cc3)C4CCCCC4)O	SDZ	1-[2-hydroxy-3-(4-cyclohexyl-phenoxy)-propyl]-4-(2-pyridyl)-piperazine
+[SeH2]	SE	selenium atom
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)CC2CCCS2	SE0	(2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-2-oxo-1-{[(2r)-tetrahydrothiophen-2-ylacetyl]amino}ethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1ccc2c(c1)C=C(C(=O)O2)O	SE2	3-hydroxy-2h-chromen-2-one
+[O-][Se](=O)(=O)[O-]	SE4	selenate ion
+c1cc(ccc1CCc2cc([nH]c2)C(=O)O)Cl	SE5	4-(4-chlorophenethyl)-1h-pyrrole-2-carboxylic acid
+C([C@@H](C(=O)O)N)[Se](=O)O	SE7	2-amino-3-selenino-propionic acid
+C(CC(=O)NCCNC(=O)C[C@](CC(=O)NC[C@@H](C(=O)O)N)(C(=O)O)O)C(=O)C(=O)O	SE8	5-[(2-{[(3s)-5-{[(2s)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid
+C(CS)N	SEA	thioethylamine
+c1ccc(cc1)CS(=O)(=O)OC[C@@H](C(=O)O)N	SEB	o-benzylsulfonyl-serine
+C([C@@H](C(=O)O)N)[SeH]	SEC	selenocysteine
+[B-](O)(O)(O)OC[C@@H](C(=O)O)N	SEE	trihydroxy(l-serinato-kappao~3~)borate(1-)
+CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F	SEF	ethyl (r)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate
+C([C@@H](C(=O)O)N)O	SEG	hydroxyalanine
+CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1	SEH	s-benzyl phenylacetothiohydroximate-o-sulfate
+CC(C)[C@@H](C(=O)C(C(F)(F)F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)N3CCOCC3	SEI	1-{3-methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide
+C1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O	SEJ	beta-d-arabinopyranose
+C(#N)[Se-]	SEK	selenocyanate ion
+C(C(CO)N)O	SEL	2-amino-1,3-propanediol
+c1ccc(cc1)COC[C@@H](C(=O)O)N	SEM	o-benzyl-l-serine
+CN(C)[P@](=O)(O)OC[C@@H](C(=O)O)N	SEN	o-[n,n-dimethylphosphoramidate]-l-serine
+C(CS)O	SEO	2-mercaptoethanol
+C([C@@H](C(=O)O)N)OP(=O)(O)O	SEP	phosphoserine
+C([C@@H](C(=O)O)N)O	SER	serine
+C([C@@H](C(=O)[O-])[NH-])O	SER_LEO2	l-serine c-terminal deprotonated fragment
+C([C@@H](C(=O)O)[NH-])O	SER_LEO2H	l-serine c-terminal protonated fragment
+C([C@@H](C(=O)O)[NH-])[O-]	SER_LEO2H_DHG	l-serine-c-terminal protonated fragment/with side chain deprotonated og
+C([C@@H](C(=O)[O-])[NH-])[O-]	SER_LEO2_DHG	l-serine-c-terminal deprotonated fragment/with side chain deprotonated og
+C([C@@H](C(=O)O)N)O	SER_LFOH	l-serine free neutral
+C([C@@H](C(=O)O)N)[O-]	SER_LFOH_DHG	l-serine-free neutral/with side chain deprotonated og
+C([C@@H](C(=O)[O-])[NH3+])O	SER_LFZW	l-serine free zwitterion
+C([C@@H](C(=O)[O-])[NH3+])[O-]	SER_LFZW_DHG	l-serine-free zwitterion/with side chain deprotonated og
+C([C@@H]([C-]=O)[NH-])O	SER_LL	l-serine - linking embedded fragment
+C([C@@H]([C-]=O)[NH-])[O-]	SER_LL_DHG	l-serine-linking embedded fragment/with side chain deprotonated og
+C([C@@H]([C-]=O)[NH3+])O	SER_LSN3	l-serine n-terminal protonated fragment
+C([C@@H]([C-]=O)[NH3+])[O-]	SER_LSN3_DHG	l-serine-n-terminal protonated fragment/with side chain deprotonated og
+CCCCc1c([se]c(n1)N)CCC	SES	4-butyl-5-propyl-1,3-selenazol-2-amine
+C([C@@H](C(=O)N)N)O	SET	aminoserine
+CCSC(=N)N	SEU	s-ethylisothiourea
+COc1ccc(cc1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F	SEV	3,5-bis(fluoranyl)-~{n}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
+C(=[Se])(N)N	SEY	selenourea
+Cc1cc(cc(c1)C)C	SEZ	1,3,5-trimethylbenzene
+c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl	SF1	1-benzyl-5-chloro-3-(phenylthio)-1h-indole-2-carboxylic acid
+COc1cccc(c1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl	SF2	5-chloro-1-(3-methoxybenzyl)-3-(phenylthio)-1h-indole-2-carboxylic acid
+S1[Fe][S@@]2[Fe]1[S@@]([Fe]2)[Fe]	SF3	fe4-s3 cluster
+[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45	SF4	iron/sulfur cluster
+CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C(=O)OC	SF5	methyl 4-({5-[(3r)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate
+C([C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)O	SF6	alpha-l-psicofuranose
+CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F	SF7	(3r)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-n-hydroxyheptanamide
+C(C[C@H](C(=O)O)NC(=O)C[C@@](CC(=O)O)(C(=O)O)O)CNC(=O)C[C@](CC(=O)O)(C(=O)O)O	SF8	(2r)-2-(2-{[(1r)-1-carboxy-4-{[(3s)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxybutanedioic  acid
+C([C@H]1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O	SF9	beta-l-psicofuranose
+CC[C@H]1C[C@@H]([C@@]2([C@H]([C@H]([C@H]([C@@H](O2)C[C@@H]([C@@H](C)CC\C=C\C=C(/C)\[C@@H]3C\C=C\C=C\[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O3)Cc5cccc(c5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)C)NC1=O)C	SFA	sanglifehrin a
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NS(=O)(=O)C[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)CO)O)O)N	SFB	(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-n-[[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]methylsulfonyl]-3,4-dihydroxy-oxolane-2-carboxamide
+CC(C)Cc1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O	SFC	(s)-ibuprofenoyl-coenzyme a
+Cc1cc2c(cc1C)[N@](C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(=O)(=O)O	SFD	(s)-10-((2s,3s,4r)-5-((s)-((s)-(((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)(hydroxy)phosphoryloxy)-2,3,4-trihydroxypentyl)-7,8-dimethyl-2,4-dioxo-2,3,4,4a-tetrahydrobenzo[g]pteridine-5(10h)-sulfonic acid
+c1ccc(cc1)C(CC(=O)O)N	SFE	(3s)-3-amino-3-phenylpropanoic acid
+C1CCC(CC1)NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2	SFF	(4as,8ar)-n-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N	SFG	sinefungin
+c1cc(cnc1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	SFH	5'-o-[(pyridine-3-carbonyl)sulfamoyl]adenosine
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)SC)F)CC(=O)O	SFI	2-[(3z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F)O	SFJ	(2r,3r,4r,5r,6r)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydro-2h-pyran-2-carboxylic acid
+CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O	SFK	n-(4-methylpentanoyl)-l-phenylalanine
+F[Sc-](F)(F)F	SFL	scandium tetrafluoride
+C[C@H]1[C@H](/C=C/C=C/C[C@H](OC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1O)CCC(=O)C)C(C)C)Cc3cccc(c3)O)/C(=C/CO)/C)O	SFM	(13e,15e)-(3s,6s,9r,10r,11s,12s,18s,21s)-10,12-dihydroxy-3-(3-hydroxyben-zyl)-18-((e)-3-hydroxy-1-methylpropenyl)-6-isopropyl-11-methyl-9-(3-oxo-butyl)-19-oxa-1,4,7,25-tetraaza-bicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetraone
+[O-]S(=O)=O	SFN	sulfonate group
+O[SH](=O)O	SFO	sulfonic acid
+c1c(ccc(c1)S([O-])(O)O)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7ccc(cc7)S([O-])(O)O)/C=C5)/c8ccc(cc8)S([O-])(O)O)/cc4)/c9ccc(cc9)S([O-])(O)O)C=C3	SFP	5,10,15,20-tetrakis(4-sulpfonatophenyl)-21h,23h-porphine
+c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(cc2)I	SFQ	2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid
+C[C@H]([C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O	SFR	(2r)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-5-[(2r)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid
+[Fe]12[Se]3[Fe]4[Se]1[Fe]5[Se]2[Fe]3[Se]45	SFS	fe4-se4 cluster
+CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](\C=C\CCCCCCCCCCCCC)O)O	SFT	sulfogalactoceramide
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O	SFU	methyl 1-seleno-alpha-l-fucopyranoside
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O	SFV	[[[(2~{r},3~{s},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methylphosphonic acid
+Cc1ccc(c(c1)C(F)(F)F)n2ccnc2c3ccccc3	SFW	1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole
+CNCC[C@@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F	SFX	(3s)-n-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
+c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N	SFY	4-amino-n-(pyridin-2-yl)benzenesulfonamide
+c1cc(c(cc1S(=O)(=O)N)[N+](=O)[O-])N2CCCC2=O	SG1	3-nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonamide
+CN1c2ccc(cc2C(=O)S1)S(=O)(=O)N	SG2	1-methyl-3-oxo-1,3-dihydro-benzo[c]isothiazole-5-sulfonic acid amide
+C[C@](CO)([C@@H](C=CP(=O)(O)O)O)F	SG3	[(1e,3r,4s)-4-fluoro-3,5-dihydroxy-4-methylpent-1-en-1-yl]phosphonic acid
+CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N	SG4	3,4-di-o-acetyl-6-o-sulfamoyl-alpha-d-glucopyranose
+CCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N	SG5	2,3,4-tri-o-propanoyl-6-o-sulfamoyl-alpha-d-glucopyranose
+CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)COS(=O)(=O)N	SG6	4-o-acetyl-6-o-sulfamoyl-alpha-d-galactopyranose
+CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N	SG7	3,4-di-o-acetyl-6-o-sulfamoyl-alpha-d-mannopyranose
+CNC1CCC(CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5c(ccc(c5s4)F)F)Cl	SG8	3-chloro-4,7-difluoro-n-[trans-4-(methylamino)cyclohexyl]-n-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide
+C[C@H]1[C@H]2CCC/C=C\[C@H]3C[C@@H](C[C@]4(O3)C[C@H](C[C@H](O4)CC(=O)[C@H]([C@H]([C@@H](C(=C)C[C@H]5C[C@](C[C@]6(O5)C[C@H](C[C@@H](O6)CC(=O)O[C@@H]7[C@H]([C@H]([C@@H]([C@](O2)(C[C@@H]1O)O)O)O[C@@H]([C@H]7O)CC(=C)C[C@@H](/C=C/C(=C)Cl)O)C)OC(=O)C)(C)O)C)OC(=O)C)C)OC)O	SG9	spongistatin-1
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O)O	SGA	3-o-sulfo-beta-d-galactopyranose
+CC(C)O[P@](=O)(C)OC[C@@H](C(=O)O)N	SGB	o-[(s)-methyl(1-methylethoxy)phosphoryl]-l-serine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O	SGC	4-thio-beta-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)S	SGD	6-thio-alpha-d-glucopyranose
+C[N@@]1Cc2c(ccc3c2OCO3)-c4c1c5cc6c(cc5cc4)OCO6	SGE	13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)N)O	SGF	(2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-o-sulfo-beta-d-galactopyranoside
+C[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(Cc2ccccc2)O)O	SGG	[(2~{s})-3-[[(1~{s})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid
+Cc1ccc(cc1C(F)(F)F)n2ccnc2c3ccccc3	SGH	1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole
+c1cc(ccc1CCC(=O)N)O	SGI	3-(4-hydroxyphenyl)propanamide
+C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)S)O)O	SGJ	1,4-dideoxy-4-thio-nojirimycin
+c1ccnc(c1)CNCC(=O)O	SGK	2-(pyridin-2-ylmethylamino)ethanoic acid
+C([C@H](CSO)O)O	SGL	1-hydroxy-1-thio-glycerol
+C([C@H](CS)O)O	SGM	monothioglycerol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O	SGN	2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N	SGP	guanosine-2',3'-cyclophosphorothioate
+CO[P@](=O)(N)OC[C@@H](C(=O)O)N	SGR	o-[(r)-amino(methoxy)phosphoryl]-l-serine
+COc1cc(cc(c1O)OC)\C=C\C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	SGS	(e)-(2s,3r,4s,5s,6r)-tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)-2h-pyran-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=S)N	SGT	2-amino-9-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-1,9-dihydro-6h-purine-6-thione
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N	SGV	sangivamycin
+COc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl	SGW	3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2h)-one
+COP(=O)(N)OC[C@@H](C(=O)O)N	SGX	o-[(s)-amino(methoxy)phosphoryl]-l-serine
+c1ccc2c(c1)cccc2CC=O	SGZ	2-naphthalen-1-ylethanal
+C[C@@]\1([C@@H](C2/C=C\3/[C@@]([C@@H](/C(=C/C4=N[C@H](C[C@H]5C(=C(C(=N5)/C=C1\N2)CC(=O)O)CCC(=O)O)[C@H]([C@@H]4CC(=O)O)CCC(=O)O)/N3)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O	SH0	3,3',3'',3'''-[(1r,2s,3s,4s,7s,8s,11s,12s,13s,16s,19s)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-1,2,3,4,7,8,11,12,13,16,19,20,22,24-tetradecahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate
+C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)CO)NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1	SH1	n-[(2-phenylethyl)sulfonyl]-d-seryl-n-[(1s)-4-[(diaminomethylene)amino]-1-(hydroxymethyl)butyl]-l-alaninamide
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O	SH2	(r)-n-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O	SH3	n-[2-(1,3-benzodioxol-5-yl)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+C[C@@H](c1ccccc1)OP(=O)(Cc2ccc(cc2)NC(=O)C)[O-]	SH4	(1r)-1-phenylethyl 4-(acetylamino)benzylphosphonate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCCCCCCBr)O)O)N	SH5	5'-o-[(s)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine
+C(CCCC(=O)O)CCCBr	SH6	8-bromooctanoic acid
+Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)Cl	SH7	(3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate
+Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O	SH8	6-methyl-2-oxidanylidene-chromene-3-carboxylic acid
+c1ccc(c(c1)C(=O)NO)O	SHA	salicylhydroxamic acid
+COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	SHB	methyl beta-d-galactopyranuronate
+CCCCCCSC[C@@H](C(=O)O)N	SHC	s-hexylcysteine
+C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O	SHD	alpha-d-altropyranose
+CC(=O)CCC(=O)O	SHF	laevulinic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O	SHG	2-deoxy-2-fluoro-beta-d-glucopyranose
+c1ccc(cc1)NC(=O)CCCCCCC(=O)NO	SHH	octanedioic acid hydroxyamide phenylamide
+c1c(c(no1)O)C[C@@H](C(=O)O)N	SHI	(s)-2-amino-3-(3-hydroxy-isoxazol-4-yl)propionic acid
+CC1=C(C(=O)C=C(O1)C(=O)O)O	SHL	5-hydroxy-6-methyl-4-oxo-4h-pyran-2-carboxylic acid
+C1[C@H]2[C@@H]([C@@H](S1)CCCCCC(=O)O)NC(=O)N2	SHM	homobiotin
+CC1(/c/2c/c3n/c(c\c4c(c(c([nH]4)cc5nc(/cc(\[nH]2)/C1CCC(=O)O)C(=C5CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)/C(C3CCC(=O)O)(C)CC(=O)O)CC(=O)O	SHN	3,3',3'',3'''-[(7s,8s,12s,13s)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
+C(CCO)CC(=O)O	SHO	5-hydroxylaevulinic acid
+c1cc(ccc1[C@@H](C(=O)O)N)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	SHP	(4-hydroxymaltosephenyl)glycine
+C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N	SHR	n-(5-amino-5-carboxypentyl)glutamic acid
+C[C@H]([C@@H](C(=O)O)NC(=O)C=CCCCCSSCCS(=O)(=O)O)OP(=O)(O)O	SHT	o-phosphono-n-{(2e)-7-[(2-sulfoethyl)dithio]hept-2-enoyl}-l-threonine
+CC(=O)CC(=O)CCC(=O)O	SHU	4,6-dioxoheptanoic acid
+CCCCCCC(=O)O	SHV	heptanoic acid
+CCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O)O	SHW	s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3r)-3-hydroxyoctanethioate
+Cc1c(c(nc(n1)c2ccccn2)N[C@H](Cc3ccccc3)C(=O)N)Cl	SHX	nalpha-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-d-phenylalaninamide
+[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2C[C@@H](C4)O)C(=O)N(C3=O)Cc5ccc6c(c5)OCO6)/N	SHY	4-[(3as,4r,7r,8as,8br)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)([O])OO)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI0	[n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappao)hydroxycopper
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)CCCC)/N	SI1	n-(butylsulfonyl)-d-seryl-n-{4-[amino(imino)methyl]benzyl}-l-alaninamide
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	SI2	o-sialic acid (chair conformation)
+CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	SI3	5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-non-2-ulosonic acid
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=C1C=CC=C4)CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI4	[cuii(biot-pr-dpea)]2+
+Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N	SI5	(4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(1-methyl-1h-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)c4c[nH]nc4	SI6	(4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(1h-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI7	[n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)OO)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI8	[n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappao)copper
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=CC=CC=C41)CCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI9	[cuii(biot-bu-dpea)]2+
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	SIA	n-acetyl-alpha-neuraminic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N=CNC2=O	SIB	(2s)-2-amino-4-({[(2s,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9h-purin-9-yl)tetrahydrofuran-2-yl]methyl}thio)butanoic acid
+C1[C@@H](C(=O)N(C1=O)[C@@H](CS)C(=O)O)N	SIC	(2r)-2-[(3s)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CSC(=O)C)O)O)(C(=O)O)OC)O	SID	methyl 9-s-acetyl-5-acetamido-3,5-dideoxy-9-thio-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+CCCCCCCCCCn1c2cc(ccc2cc1c3ccc(cc3)OS(=O)(=O)N)OS(=O)(=O)N	SIE	sulfamic acid 1-decyl-2-(4-sulfamoyloxyphenyl)-1h-indol-6-yl ester
+C[Si](C)(C)C(CC(=O)O)C(=O)O	SIF	3-trimethylsilylsuccinic acid
+C\C=C(/C)\C=C\C=C[C@H](C)[C@H](C)[C@H](C)[C@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C	SIG	stigmatellin
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)OC(=O)CCC(=O)O)C	SIH	progesterone-11-alpha-ol-hemisuccinate
+CC(=O)Nc1ccc(cc1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5	SII	n-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide
+c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	SIJ	6-(1,9-diazaspiro[5.5]undecan-9-yl)-9h-purine
+CC1(OC[C@@H](O1)CO[P@](=O)(CCCCC=C)O)C	SIL	[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate
+CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C	SIM	simvastatin acid
+C(CC(=O)O)C(=O)O	SIN	succinic acid
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)OC(=O)C	SIO	methyl 4,9-di-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F	SIP	8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
+C[C@]1(C2C=C3[C@H]([C@](C4=Cc5c(c(c6n5[Co+2]7(N43)N2C(=C1CCC(=O)O)C=C8N7C(=C6)C(=C8CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O	SIR	cobalt sirohydrochlorin
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O	SIS	(1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside
+[O][W]1234O[W]567(O18[Si]91O%10%11[W]%12%13(O2)(O[W]%102(O5)(O[W]%115(O%12)(O[W]%10%11%12(O99[W](O%10)(O3)(O%13)(O[W]93(O%11)(O[W]8(O4)(O6)(O[W]46(O3)(O11[W](O4)(O7)(O2)(O[W]1(O6)(O5)(O%12)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	SIW	keggin (sta)
+c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)CC(=O)NCCc5c[nH]nc5)F	SIX	2-{5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluorophenyl}-n-[2-(1h-pyrazol-4-yl)ethyl]acetamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)F)O)O)O	SIZ	2-deoxy-2-[(difluoroacetyl)amino]-beta-d-galactopyranose
+[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)OCC(C)C	SJ1	n-(isobutoxycarbonyl)-d-seryl-n-((1s)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-l-alaninamide
+[H]/N=C(/N)\NCCC[C@@H](CO)N(C)C(=O)C	SJ2	~{n}-[(2~{s})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-~{n}-methyl-ethanamide
+C1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O	SJ5	(3s,4r,5r)-4,5-dihydroxypiperidine-3-carboxylic acid
+c1cc(ccc1/C=C/C(=O)O)F	SJ8	(~{e})-3-(4-fluorophenyl)prop-2-enoic acid
+C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C	SJA	amorphadiene
+COc1ccc(c(c1)F)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F	SJD	3,5-bis(fluoranyl)-~{n}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide
+CCOC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C	SJG	ethyl ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate
+COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3	SJJ	5-(4-methoxyphenyl)-n-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
+C1CSC2=NC=C(C(=O)N21)C(=O)NCCS	SJK	5-oxidanylidene-~{n}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
+CC#CC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C	SJM	~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide
+Cc1ccc2c(n1)NC=C(C2=O)C(=O)O	SJN	4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
+C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H](CC[C@@H](O4)CN)N)O)O)NC(=O)[C@H]([C@@H](CN)F)O)N)N	SJP	(2r,3r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranosyl)oxy]-3-{[3-o-(2,6-diamino-2,3,4,6-tetradeoxy-beta-l-threo-hexopyranosyl)-beta-d-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide
+C1CC(CCC1CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)(F)F	SJQ	4-[4-[[4,4-bis(fluoranyl)cyclohexyl]methyl]-3-oxidanylidene-piperazin-1-yl]-5-chloranyl-1~{h}-pyridazin-6-one
+COc1ccc(cc1)C(=O)Nc2ccccn2	SJR	4-methoxy-n-(pyridin-2-yl)benzamide
+c1cc(c(c(c1)F)c2cc3c([nH]nc3nc2)C4=CC(=O)NC(=N4)N5CCC(CC5)O)F	SJS	4-[5-[2,6-bis(fluoranyl)phenyl]-2~{h}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{h}-pyrimidin-6-one
+C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2[C@H]([C@@](C[C@@](O2)(C)OC)(C)O)O)C)NC(=O)/C=C\[C@H](C)OC(=O)C	SJT	spliceostatin a (form ii)
+Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)cccc2NC(=O)OC	SJV	methyl ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate
+c1cc(cnc1)CCC=O	SJW	3-pyridin-3-ylpropanal
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)CC(=O)O	SJY	2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid
+Cc1c(cccc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3	SJZ	(~{e})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid
+c1ccc(cc1)[C@H]2CNCCc3c2cc(c(c3Cl)O)O	SK0	(1r)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)/N	SK1	n-(benzylsulfonyl)-d-seryl-n-{4-[amino(imino)methyl]benzyl}-l-alaninamide
+CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)OCc3ccccc3)NS(=O)(=O)O	SK2	(3r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid benzyl ester
+c1ccc(cc1)CNC2[C@H]([C@H]([C@H]([C@H]2O)O)O)O	SK3	(1r,2r,3s,4s,5r)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol
+COc1cccc(c1)Nc2c3cc(ccc3ncc2C(=O)N)S(=O)(=O)C	SK4	4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide
+c1ccc(cc1)/C=C/C(=O)c2ccc(cc2)C(F)(F)F	SK5	(e)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)NCCc3ccccn3)C#N	SK6	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile
+CC1=C(N(C(=O)NC1=O)C)C=C(CO)CO	SK7	6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione
+c1cc(ccc1c2c(n3c(n2)SCC3)c4ccncc4)F	SK8	6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
+Cc1cccc(c1)[C@H]2CN(CCc3c2cc(c(c3Cl)O)O)C	SK9	(1r)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
+c1cc(c(c2c1CCNC2)Cl)Cl	SKA	7,8-dichloro-1,2,3,4-tetrahydroisoquinoline
+c1ccc(cc1)/C=C/C(=O)c2cccc(c2)C(F)(F)F	SKB	(e)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
+CC(=O)N[C@@H]1[C@H](C[C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)O	SKD	2-acetylamino-7-(1,2-dihydroxy-ethyl)-3-hydroxy-6,8-dioxa-bicyclo[3.2.1]octane-5-carboxylic acid
+c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F	SKE	4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1h-1,2,4-triazol-3-yl}amino)benzenesulfonamide
+c1cc2c(cc1S(=O)(=O)N)CNCC2	SKF	1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid amide
+C[C@H]([C@@H](C(=O)O)N)C(C)C	SKG	 4-methylisoleucine
+C[C@](CC(=O)NCCCC[C@@H](C(=O)O)N)(CC(=O)O)O	SKH	(3~{s})-5-[[(5~{s})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid
+CCC[C@@H](C)[C@@H](C(=O)O)N	SKJ	beta-methylnorleucine
+Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N	SKK	n-[2-({2-[(2s)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
+C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O	SKM	(3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
+B([C@H](Cc1cccc(c1)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O	SKN	((r)-2-(3-ethylphenyl)-1-((s)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid
+Cc1cc(nc(c1)N)CCc2cccc(n2)N(C)CCNC	SKO	n'-[6-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]pyridin-2-yl]-n,n'-dimethyl-ethane-1,2-diamine
+C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)OP(=O)(O)O	SKP	5-(1-carboxy-1-phosphonooxy-ethoxyl)-4-hydroxy-3-phosphonooxy-cyclohex-1-enecarboxylic acid
+C1CCC(CC1)N2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl	SKQ	5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{h}-pyridazin-6-one
+c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@H]2O)O)C(=O)O)O	SKT	(3~{r},4~{r},5~{r})-5-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylic acid
+CC(C)[C@H](C(=O)N1CCC2(CC1)C(=O)N(C(=O)N2c3ccc4c(c3)c[nH]n4)C)NC(=O)c5cc(ccc5F)C(F)(F)F	SKV	2-fluoranyl-~{n}-[(2~{r})-1-[1-(2~{h}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide
+C[C@]1(CCSC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br	SKW	~{n}-[3-[(4~{s})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
+c1ccc2cc(ccc2c1)c3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	SKY	1-beta-d-glucopyranosyl-4-naphthalen-2-yl-1h-1,2,3-triazole
+C=C1N2CCCNC(=O)CC34CC(=O)NCCCN5C(=C)O[Fe](O1)(O3)(O2)(O5)OC4=O	SKZ	[2-(hydroxy-kappao)-4-[(3-{(hydroxy-kappao)[1-(hydroxy-kappao)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappao)[1- (hydroxy-kappao)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappao]iron
+CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)OC(=O)C)OC(=O)C	SL0	5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 3,4-di-o-acetyl-6-deoxy-alpha-l-mannopyranoside
+c1ccc(cc1)CS(=O)(=O)N[C@@H]2C(=O)N(c3ccccc3C(=N2)c4ccccc4)CC(=O)N[C@@H](CCCNC(=N)N)C=O	SL1	n-((1s)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-2-{(3r)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-1-yl}acetamide
+CC1(C=C(C(N1O)(C)C)C(=O)O[C@@H]2C[C@H](O[C@H]2n3cnc4c3ncnc4N)CO[P@](=O)(O)OP(=O)(O)O)C	SL2	3'-deoxy-2'-o-(2,2,5,5-tetramethyl-1-oxyl-pyrrolin-3-yl) adenosine 5'-diphosphate
+CC1(C=C(C(N1O)(C)C)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N)C	SL3	2'-deoxy-3'-o-(2,2,5,5-tetramethyl-1-oxyl-pyrrolin-3-yl) adenosine 5'-diphosphate
+CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C#N)F)C3=NS(=O)(=O)c4c3cccc4)O	SL4	5-[[(2~{s})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{h}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile
+C[C@@H]1[C@H](N[C@@H](O1)COCCO)C(=O)O	SL5	(2s,4s,5r)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid
+c1cc(ccc1CC2(CCN(CC2)CC3CCCCC3)C(=O)/C=C(/C(=O)O)\O)Cl	SL6	(z)-4-[4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid
+CN(C)c1nc(on1)c2cccc(c2O)CNc3ccc4c(c3)c([nH]n4)C(=O)O	SL7	5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{h}-indazole-3-carboxylic acid
+C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2cccc(c2)NC(=O)c3ccc(cn3)Br	SL8	~{n}-[3-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
+C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O	SLA	omuralide, open form
+CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	SLB	n-acetyl-beta-neuraminic acid
+C=C(C[SeH])C(=O)N1CCCC1C(=O)O	SLC	seleno-captopril
+CC\1=NC(=O)NC(=O)/C1=C\CC(=O)NCCC\C=C\c2ccc(cc2F)N3C[C@@H](OC3=O)CNC(=O)C	SLD	(3z)-n-[(4e)-5-(4-{(5s)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2h)-ylidene)propanamide
+CC(C)C[C@H](CS)C(=O)O	SLE	2-(thiomethylene)-4-methylpentanoic acid
+CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](\C=C\CCCCCCCCCCCCC)O	SLF	sulfate-3-d-galactosyl-beta-1-1-n-stearoyl-d-sphingosine
+CN(Cc1ccc(cc1c2ccc(c(c2)Cl)C(=O)O)F)C(=O)c3cc4ccc(cc4[nH]3)Cl	SLG	2-chloranyl-4-[2-[[(6-chloranyl-1~{h}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid
+c1ccc(cc1)NCCC(=O)N2C[C@@H]3CCCC[C@H]3C[C@@H]2CN[C@@H](Cc4cnc[nH]4)C=O	SLH	(2s)-3-(1h-imidazol-5-yl)-2-({[(3r,4as,8ar)-2-(n-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
+c1ccc(cc1)NC(=O)c2ccccc2O	SLI	2-hydroxy-n-phenylbenzamide
+CCCOc1c(cccn1)CN(C)c2ccc3c(c2)c([nH]n3)C(=O)O	SLJ	5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{h}-indazole-3-carboxylic acid
+Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(CO[C@@](C(=N3)N)(C)C(F)(F)F)C)F)C#N	SLK	~{n}-[3-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide
+C(CCNC(=O)CCC(=O)O)C[C@@H](C(=O)O)N	SLL	(2s)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid
+CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)N)O)O	SLM	(2s,4s,5r,6r)-5-acetamido-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
+CC1(C[C@H](C([N@@]1O)(C)C)C(=O)NC[C@H](CNc2ccc(cc2[N+](=O)[O-])N=[N+]=[N-])O[P@@](=O)(O)OP(=O)(O)O)C	SLN	1-(4-azido-2-nitrophenyl)amino-3-(1-oxyl-2,2,5,5-tetramethylpyrrolidinyl-3-carbamido)-2-propyldisphosphate
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)S(=O)(=O)C)F)CC(=O)O	SLO	2-[(3z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid
+C(C[SeH])C(=O)O	SLP	3-selanylpropanoic acid
+CC[C@@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4	SLQ	(2s)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9h-purin-2-yl}amino)butan-1-ol
+C[C@@H]1[C@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)O)O	SLR	(3r,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-d-proline
+c1cc2c(cc1C(=O)N)CCCO2	SLS	3,4-dihydro-2~{h}-chromene-6-carboxamide
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O	SLT	5-(acetylamino)-3,5-dideoxynon-2-ulopyranonosyl-(2->3)-beta-d-lyxo-hexopyranosyl-(1->4)hexopyranose
+c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	SLU	5'-o-[n-(dehydroluciferyl)-sulfamoyl] adenosine
+CCCc1ccc(cc1O)NC(=O)C	SLV	~{n}-(3-oxidanyl-4-propyl-phenyl)ethanamide
+CC[C@H](C1[C@H]2[C@@H]1CC(C2)Oc3ccnc4c3cccc4)NC(=O)c5ccc(cc5)Cl	SLW	4-chloranyl-n-[(1r)-1-[(1s,5r)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
+COc1ccc2c(c1O)C[N@]3CCc4cc(c(cc4[C@@H]3C2)O)OC	SLX	(13as)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6h-isoquino[3,2-a]isoquinoline-2,9-diol
+c1ccc(cc1)Oc2ccccc2CN	SLY	(2-phenoxyphenyl)methanamine
+C(CSC[C@@H](C(=O)O)N)N	SLZ	l-thialysine
+[Sm+3]	SM	samarium (iii) ion
+[H]/N=C(/N)\Nc1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2	SM1	n-(benzylsulfonyl)-d-seryl-n-(4-{[amino(imino)methyl]amino}benzyl)-l-alaninamide
+B([C@H](c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O	SM2	(1r)-1-(2-thienylacetylamino)-1-(3-carboxyphenyl)methylboronic acid
+B([C@H](c1ccccc1)NC(=O)Cc2cccs2)(O)O	SM3	(1r)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid
+B([C@H](c1cccc(c1)\C=C\C(=O)O)NC(=O)Cc2cccs2)(O)O	SM4	(1r)-1-(2-thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid
+c1cc\2c(cc1c3cn(nc3c4ccncc4)C5CCNCC5)CC/C2=N\O	SM5	(1e)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1h-pyrazol-4-yl)-2,3-dihydro-1h-inden-1-one oxime
+CCOC(=O)c1c(c2ccncc2s1)NC3=CC4=CCC(=C4C=C3)NO	SM6	ethyl 3-{[1-(hydroxyamino)-2h-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate
+c1cnccc1c2c(cn(n2)C3CCNCC3)C4=CC5=CC6=CN=NC6=C5C=C4	SM7	6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1h-pyrazol-4-yl]indeno[1,2-c]pyrazole
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)\C=C\C=C\C=C\C=C\C(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C	SM8	simocyclinone d8
+CCOCCN(C[C@H](C[N@]1CCC[C@]2(C1)CC[N@@](C2)c3c4ccccc4ncn3)O)S(=O)(=O)c5c(cccc5C)C	SM9	n-(2-ethoxyethyl)-n-{(2s)-2-hydroxy-3-[(5r)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide
+C/C=C(\C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC	SMA	stigmatellin a
+CC[C@H](C)C(=O)O	SMB	2-methylbutanoic acid
+CSC[C@@H](C(=O)O)N	SMC	s-methylcysteine
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	SMD	methyl-2-s-(alpha-d-mannopyranosyl)-2-thio-alpha-d-mannopyranoside
+C[S@@](=O)CC[C@@H](C(=O)O)N	SME	methionine sulfoxide
+c1cc(ccc1C[C@@H](C(=O)O)N)CS(=O)(=O)O	SMF	4-sulfomethyl-l-phenylalanine
+CSCC[C@H](C(=O)O)NC(=O)CCC(=O)O	SMG	n-succinyl methionine
+CCOCCN(C[C@H](C[N@]1CCC[C@]2(C1)CC(=O)c3cc(ccc3O2)O)O)S(=O)(=O)c4c(cccc4C)C	SMH	n-(2-ethoxyethyl)-n-{(2s)-2-hydroxy-3-[(2r)-6-hydroxy-4-oxo-3,4-dihydro-1'h-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide
+C[C@@H]1CC([C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O)(O)O	SMI	spectinomycin
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCN)N	SMK	(3s,6s,7r,9as)-6-{[(2s)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-n-(diphenylmethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide
+CS(=O)(=O)c1ccccc1	SML	phenyl methyl sulfone
+COC(=O)[C@H](CC[S@H](C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	SMM	s-adenosylmethionine methyl ester
+c1ccc(cc1)[C@@H](C(=O)O)O	SMN	(s)-mandelic acid
+O=[Mo](=O)=S	SMO	dioxosulfidomolybdenum(vi) ion
+C[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O	SMP	2'-deoxy-adenosine-5'-sp-monomethylphosphonate
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC(=O)C	SMQ	simocyclinone c4
+CCOCC[N@@](C[C@H](C[N@]1CCC[C@]2(C1)CCc3c(ccc4c3cn[nH]4)O2)O)S(=O)(=O)c5c(cccc5C)C	SMR	n-{(2s)-3-[(3s)-8',9'-dihydro-1h,3'h-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-n-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide
+CC1(O[C@H]2[C@H]3[C@@H](CO[C@]2(O1)COS(=O)(=O)N)OS(=O)(=O)O3)C	SMS	sulfamic acid 2,3-o-(1-methylethylidene)-4,5-o-sulfonyl-beta-fructopyranose ester
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCSC	SMT	2'-[(methylthio)ethyloxy]-thymidine-5'-monophosphate
+c1ccc(cc1)c2c3ccc4n3[Mn]56n7c(ccc7c(c8[n+]5c(c4)C=C8)c9ccccc9)cc1[n+]6c2C=C1	SMU	[5,15-diphenylporphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]manganese
+c1cc(sc1)C(=S)N	SMV	thiophene-2-carbothioamide
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(O)(O)(OC[C@@H](C(=O)O)N)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC	SMW	(2s)-2-amino-3-[[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[(2r)-2,3-bis[[(z)-octadec-9-enoyl]oxy]propoxy]-dihydroxy-lambda^5-phosphanyl]oxy-propanoic acid
+Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(c4ccccc4)O)SC2)C(=O)O	SMX	(6r,7r)-7-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+C[C@H]1c2c(ncnc2N3CCN(CC3)C(=O)[C@@H](Cc4c[nH]c5c4cccc5)N)CS1	SMY	(2r)-3-(1h-indol-3-yl)-1-{4-[(5s)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\SC	SMZ	n~5~-[(e)-imino(methylsulfanyl)methyl]-l-ornithine
+CCC[C@@H](C(=O)O)NC(=O)CCC(=O)O	SN0	n-(3-carboxypropanoyl)-l-norvaline
+c1cc(c(cc1O)O)\C=C\C(=O)O	SN1	2,4-dihydroxy-trans cinnamic acid
+c1c(c(cc(c1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N	SN2	5-[bis-2(chloro-ethyl)-amino]-2,4-dintro-benzamide
+[H]/N=C(\N)/N1CC=C(C1)CCNC(=O)[C@@H]2C[C@@H]3C[C@@H]([C@H](C[C@@H]3N2C(=O)[C@@H]([C@@H](C(C)C)Cl)NC(=O)[C@@H](COS(=O)(=O)O)OC)O)O	SN3	(r)-3-((2s,3r)-1-((2s,3ar,5s,6s,7as)-2-(2-(1-carbamimidoyl-2,5-dihydro-1h-pyrrol-3-yl)ethylcarbamoyl)-5,6-dihydroxyocta hydro-1h-indol-1-yl)-3-chloro-4-methyl-1-oxopentan-2-ylamino)-2-methoxy-3-oxopropyl hydrogen sulfate
+COc1ccc(cn1)C(=S)N	SN4	6-methoxypyridine-3-carbothioamide
+CC(=S)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	SN5	2-deoxy-2-(ethanethioylamino)-beta-d-glucopyranose
+C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3)Nc4cc[n+](c5c4cccc5)C	SN6	1-methyl-4-[4-[4-(4-(1-methylquinolinium)amino)benzamido]anilino]pyridinium
+C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3N)Nc4cc[n+](c5c4cc(cc5)N)C	SN7	4-[4-[2-amino-4-[4,6-(n-methylquinolinium)amino]benzamido]anilino]-n-methylpyridinium mesylate
+Cc1ccc2c(c1)C(=CCN2C)NC3CCC(CC3)C(=O)NC4CCC(CC4)NC5CCN(CC5)C	SN8	1,6-dimethyl-4-(4-(4-(1-methylpyridinium-4-ylamino)phenylcarbamoyl)phenylamino)quinolinium
+CN1CCC(CC1)NC2CCC(CC2)NC(=O)C3CCC(CC3)NC4=CCN(c5c4cccc5OC)C	SN9	8-methoxy-1-methyl-4-(4-(4-(1-methylpyridinium-4-ylamino)phenylcarbamoyl)phenylamino)quinolinium
+c1cc(ccc1C[C@@H](C(=O)NCCCCCC(=O)N[C@H](CS)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O	SNA	n-{1-[5-(1-carbamoyl-2-mercapto-ethylcarbamoyl)-pentylcarbamoyl]-2-[4-(difluoro-phosphono-methyl)-phenyl]-ethyl}-3-{2-[4-(difluoro-phosphono-methyl)-phenyl]-acetylamino}-succinamic acid
+COc1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Br	SNB	1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline
+C([C@@H](C(=O)O)N)SN=O	SNC	s-nitroso-cysteine
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=S)N	SND	thionicotinamide-adenine-dinucleotide
+CC(C)[C@@]12CCC(=C)[C@@H]1C2	SNE	sabinene
+C[C@@H]1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=[N]45)C=CC=C3	SNF	(n1e, n2e)-n1, n2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(ii) salt
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se]C)CO)O)O	SNG	methyl 2-acetamido-2-deoxy-1-seleno-beta-d-glucopyranoside
+Cc1ccc(c(c1)C)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(s3)C(=O)C	SNH	5'-acetyl-4-{[(2,4-dimethylphenyl)sulfonyl]amino}-2,2'-bithiophene-5-carboxylic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=[Se]	SNI	9-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purine-6-thione
+c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3	SNJ	2,5-diphenyl-4~{h}-pyrazol-3-one
+CC(=O)Sc1c([nH]cn1)C[C@H](C(=O)O)N	SNK	(2~{r})-2-azanyl-3-(4-ethanoylsulfanyl-1~{h}-imidazol-5-yl)propanoic acid
+CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C	SNL	spironolactone
+CN(C)[C@@H](CO)C(=O)O	SNM	n,n-dimethyl-l-serine
+C1[C@@H](C(=O)NC1=O)N	SNN	l-3-aminosuccinimide
+c1cc(ccc1[C@H]2CO2)[N+](=O)[O-]	SNO	(s)-para-nitrostyrene oxide
+CC(C)NC[C@@H](COc1cccc2c1cccc2)O	SNP	1-(isopropylamino)-3-(1-naphthyloxy)-2-propanol
+c1ccn(c1)c2ccc(cc2C#N)N	SNQ	5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile
+C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2	SNR	norbiotin
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CC[N@]4CC[C@@H](C4)F)NC(=O)CC[N@]5CC[C@@H](C5)F	SNS	3,6-bis(3-(3'-(s)-fluoropyrrolindino)propionamido)acridine
+Cc1c(c(n(n1)c2ccccc2)C)/C=N/N3CCN(CC3)Cc4ccccc4	SNT	(e)-n-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)methanimine
+c1ccn(c1)c2ccc(cc2)N	SNU	4-(1h-pyrrol-1-yl)aniline
+c1ccc(c(c1)N)N2CCN(CC2)CCO	SNV	2-[4-(2-aminophenyl)piperazin-1-yl]ethanol
+C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O)N)C(=O)O)O)O)O)O	SNW	deoxyfructosylglutamine
+COCCNc1cc(ccc1C(=O)N)n2c3ccccc3c4c2CCCC4=O	SNX	2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9h-carbazol-9-yl)benzamide
+COc1cc(cc(c1O)OC)/C=C/C=O	SNY	(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
+c1cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O	SNZ	n-(3,4-dihydroxyphenyl)-n'-[2-(3,4-dihydroxyphenyl)ethyl]urea
+C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@H]4CC([C@@]3([C@@]2(C4)C=O)C(=O)O)C(C)C)CO[C@H]5[C@H]([C@@H]([C@@H]([C@H](O5)C)OC)O)O	SO1	[1r-(1.alpha.,3a.beta.,4.beta.,4a.beta.,7.beta.,7a.alpha.,8a.beta.)]8a-[(6-deoxy-4-o-methyl-beta-d-altropyranosyloxy)methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1h)-carboxylic acid
+O=S=O	SO2	sulfur dioxide
+[O-]S(=O)[O-]	SO3	sulfite ion
+[O-]S(=O)(=O)[O-]	SO4	sulfate ion
+C[C@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	SO5	(2~{r})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid
+CN(C(=O)[C@H]1CC(=O)N(C1)c2ccc(cc2)OC)OC	SO7	(3~{s})-~{n}-methoxy-1-(4-methoxyphenyl)-~{n}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N	SO8	2'-(l-isoleucyl)amino-2'-deoxyadenosine
+c1ccc(c(c1)CO)N	SOA	isatoic anhydride
+C([C@@H](C(=O)O)N)[SeH](=O)=O	SOC	dioxyselenocysteine
+C[C@@H]1[C@@H](C[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5C[C@@H]6[C@@H]([C@H](O5)C)OCC6=C)Cl	SOD	(1s,4s,5s,6r,9s,11s)-6-chloro-9-formyl-13-isopropyl-5-methyl-2-({[(3ar,5r,7r ,7as)-7-methyl-3-methylenehexahydro-2h-furo[2,3-c]pyran-5-yl]oxy}methyl)tetr acyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic aci
+C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O	SOE	alpha-l-sorbopyranose
+CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccccc4	SOF	2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone
+CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	SOG	octyl 1-thio-beta-d-glucopyranoside
+OS(=O)(=O)[O-]	SOH	hydrogen sulfate
+c1ccc(cc1)Nc2ccc(cc2)N	SOJ	~{n}4-phenylbenzene-1,4-diamine
+C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O	SOL	l-sorbose
+C[P@H](=O)O	SOM	methyl phosphinic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)CP(=O)(O)O)O)O)N	SON	adenosine phosphonoacetic acid
+CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SOO	s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (e)-oct-2-enethioate
+CC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	SOP	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)thio]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate
+CN[C@@H](CC(=O)O)C(=O)O	SOQ	n-methyl-l-aspartic acid
+C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O	SOR	sorbitol
+c1ccc(cc1)CN(C=O)C2=C(N=C(NC2=O)N)N[C@@H]3C[C@@H]([C@H](C3)O)COP(=O)(O)O	SOS	[(1r,2s,4r)-4-({2-amino-5-[benzyl(formyl)amino]-6-oxo-1,6-dihydropyrimidin-4-yl}amino)-2-hydroxycyclopentyl]methyl dihydrogen phosphate
+C1COCCN1S(=O)(=O)O	SOT	morpholine-4-sulfonic acid
+Cc1ccc(cc1C#N)N2C(=O)C=CC2=O	SOV	5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile
+CC1([C@@H](N2[C@H]([S@H]1O)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C	SOX	n-[(2s,4s,6r)-2-(dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylac etamide
+Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)OC[C@@H](C(=O)O)N	SOY	oxacillin-acylated serine
+c1cc(cc(c1)S(=O)(=O)Nc2cc(nn2c3ccc(cc3)F)c4cccs4)F	SP0	3-fluoro-n-[1-(4-fluorophenyl)-3-(2-thienyl)-1h-pyrazol-5-yl]benzenesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N	SP1	6-(6-amino-purin-9-yl)-2-thioxo-tetrahydro-2-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol
+CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCCC(C)(C)OC)/C)/C)/C)C	SP2	3,4-dihydrospheroidene
+c1cc(sc1)c2cc(n(n2)c3ccc(cc3)F)NS(=O)(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F	SP3	n-[1-(4-fluorophenyl)-3-(2-thienyl)-1h-pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
+CC(=O)NCCCNCCCCNCCCN	SP5	n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
+c1ccc(cc1)CN2C(=O)C=C3N(C2=O)C=C(S3)C(=O)OCc4ccccc4	SP6	benzyl 6-benzyl-5,7-dioxo-6,7-dihydro-5h-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylate
+C[C@@H](CCNCCCCN)NC(=O)C	SP7	n-{(1s)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide
+C[C@@H](CCNCCCCN)NC(=O)c1ccccc1	SP8	n-{(1s)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide
+C[C@H](CCNCCCCN)NC(=O)c1ccccc1	SP9	n-{(1r)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide
+c1cc(sc1)CC(=O)O	SPA	thiopheneacetic acid
+c1ccc(cc1)\C=C\c2ccc(cc2)NC(=O)CCCC(=O)O	SPB	4-(4-styryl-phenylcarbamoyl)-butyric acid
+COc1ccc(cc1)S(=O)(=O)[N@@]2CC(C[C@@H]2C(=O)NO)NOC	SPC	n-hydroxy 1n(4-methoxyphenyl)sulfonyl-4-(z,e-n-methoxyimino)pyrrolidine-2r-carboxamide
+C(CCNCCCN)CN	SPD	spermidine
+C(CN)CNCCCNCCCN	SPE	thermine
+CC1([C@H](C1(C(=O)NCCC(=O)NCCSC(=O)\C=C\c2cc(c(c(c2)OC)O)OC)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)C	SPF	sinapoyl coenzyme a
+c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O	SPG	2-deamino-6-deoxy-6thiophosphite-5'-phosphate guanosine
+CCCCCCCCCCCCCC=C[C@@H]([C@@H](CO)N)O	SPH	sphingosine
+COc1ccc(cc1)S(=O)(=O)[N@@]2CCN(C[C@@H]2C(=O)NO)C(=O)OCc3ccccc3	SPI	n-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-benzyloxycarbonyl-piperazine-2-carboxamide
+C[C@H](CCNCCCCNCC[C@@H](C)N)N	SPJ	(3r,3'r)-n~1~,n~1~'-butane-1,4-diyldibutane-1,3-diamine
+C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+]	SPK	spermine (fully protonated form)
+CCCCCCCCCCCCCC=C[C@H](C(CO)NC(=O)CCCCCCC)O	SPL	octanoic acid (2-hydroxy-1-hydroxymethyl-heptadec-3-enyl)-amide
+C(CCNCCCN)CNCCCN	SPM	spermine
+CC(CC\C=C(/C)\CCCC/C(=C/CCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C)C	SPN	speroidenone
+CC(=CCCC(=CCC/C(=C/C=CC(=CC=C\C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=CCC(C)(C)OC)C)/C)C)C	SPO	spheroidene
+CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)NS(=O)(=O)C	SPP	(1-(5-methansulphonamido-1h-indol-2-yl-carbonyl)4-[methylamino)pyridinyl]piperazine
+C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](CF)(C(=O)O)OP(=O)(O)O	SPQ	(3r,4s,5r)-5-{[(1r)-1-carboxy-2-fluoro-1-(phosphonooxy)ethyl]oxy}-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
+C[C@@H]1C\C=C\C=C\[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C	SPR	spiramycin i
+CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](CO)C[S@@](=O)CSC	SPS	sparsomycin
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CSP(=O)(O)O)O	SPT	5'-thio-thymidine phosphonic acid
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)N)O	SPU	2-{[(r)-{[(2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-n,n,n-trimethylethanaminium
+C(C(=O)C(=O)O)S(=O)(=O)O	SPV	sulfopyruvate
+[2H][N+]([2H])([2H])CCC[N+]([2H])([2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H]	SPW	n,n'-bis(3-ammoniopropyl)butane-1,4-diaminium
+C[C@H]1\C=C\[C@H](C[C@@H]([C@H]([C@H]2[C@H](C(=CC(=O)O2)C[C@@H](C/C(=C/C=C\C(=O)O[C@@H]([C@H](\C=C\[C@@H](C[C@@H]1O)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)OC)/C)OC)O)C)OC)OC	SPX	sphinxolide b
+c1cnccc1S(=O)(=O)O	SPY	pyridine-4-sulfonic acid
+C[C@@H](CCNCCCCNCC[C@H](C)N)N	SPZ	(3s,3's)-n~1~,n~1~'-butane-1,4-diyldibutane-1,3-diamine
+CCNC1C(C(=O)C1=O)NC	SQ	3-ethylamino-4-methylamino-cyclobutane-1,2-dione
+C(CCCO)CCNC1=C(C(=O)C1=O)NCCOCCO	SQ0	3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione
+C1C[N]2(CCC3=[N]([Cu]2[N]4=C1C=CC=C4)C=CC=C3)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SQ1	[n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide]copper
+CC1CCN(CC1)C(=O)Cn2c3ccccc3nn2	SQ2	2-(1h-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one
+c1cc(ccc1N)N2C(=O)C=CC2=O	SQ4	1-(4-aminophenyl)pyrrole-2,5-dione
+c1c(cncc1F)N2C(=O)[C@@H](NC2=O)CC3CCCCC3	SQ5	(5s)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione
+c1cc(ccc1N2C(=O)C=NC2=O)Cl	SQ7	3-(4-chlorophenyl)imidazole-2,4-dione
+CNc1cc2c(cn1)C=C(C(=O)N2CC3OCC(CO3)N)c4ccc(cc4Cl)c5c(cccn5)F	SQ8	1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one
+Cc1c(cccc1S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N	SQ9	3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methylbenzenesulfonamide
+CC(=CCC/C(=C/CC/C(=C/CC\C=C(/C)\CC\C=C(/C)\CCCN(C)C)/C)/C)C	SQA	2-azasqualene
+Cc1ccc(c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC)OC	SQB	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC	SQD	1,2-di-o-acyl-3-o-[6-deoxy-6-sulfo-alpha-d-glucopyranosyl]-sn-glycerol
+CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cccc(n4)C(F)F)CC5OCC(CO5)N	SQE	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
+c1cc(ccc1NC(=O)CC#N)OC(F)(F)F	SQG	2-cyano-~{n}-[4-(trifluoromethyloxy)phenyl]ethanamide
+c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O	SQH	2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one
+Cc1ccc(c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC)F	SQK	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
+CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C	SQL	(6e,10e,14e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
+Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N	SQM	4-benzamido-2-methyl-pyrazole-3-carboxamide
+c1c2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=O	SQO	2-{[2-(4-morpholinyl)ethyl]amino}-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1ccc(c(c1)c2ccc(cc2)N)C(=O)O	SQP	2-(4-aminophenyl)benzoic acid
+Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)Nc6ccccc6OC	SQQ	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O	SQS	(2s,3r,4e)-2-aminooctadec-4-ene-1,3-diol
+CC(C)CCCCCCCCCCCC[C@@H](C)CCCCCCCC(C)C	SQU	2,10,23-trimethyl-tetracosane
+C[C@@H](c1cc(ccn1)OC)C(=O)OC	SQV	methyl (2~{s})-2-(4-methoxypyridin-2-yl)propanoate
+CC(C)OC(=O)CCC(=O)n1ccc2c1cccc2	SQW	propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate
+C[C@H]1C[C@H](OC1=O)C2=C([C@@H]3\C=C(\[C@H](C[C@@H]4CC[C@]5(O4)CC[C@@]6(O5)[C@](CC[C@H](O6)CC(=C)CCCC7=NC[C@@H]([C@H](C[C@]37CC2)C)C)(C)O)O)/C)C	SQX	13-desmethyl spirolide c
+COC(=O)[C@H](Cc1ccc(cc1)Br)c2ccncc2	SQY	methyl (2~{r})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate
+C[C@@H](c1ccc(cc1)F)n2c3c4cc(ccc4ncc3nn2)c5ccc6c(c5)nco6	SQZ	5-[1-[(1s)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole
+[Sr+2]	SR	strontium ion
+C(CC[NH2+]CCC[NH3+])C[NH3+]	SR0	n~1~-(3-azaniumylpropyl)butane-1,4-diaminium
+CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O	SR1	5-s-methyl-5-thio-alpha-d-ribofuranose
+CN(C)CC=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	SR2	(2e)-n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
+C[C@@]([C@H](C(=O)O)N/C=C/C=O)(C(=O)OCC(=O)N)S(O)O	SR3	(2s,3r)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1e)-3-oxoprop-1-en-1-yl]amino}butanoic acid
+c1ccc2c(c1)C(=CCCO2)C(=O)O	SR4	2,3-dihydro-1-benzoxepine-5-carboxylic acid
+CC(C)C[C@@H](C(=O)O)NC(=O)c1cc(n(n1)c2ccnc3c2ccc(c3)Cl)c4c(cccc4OC)OC	SR5	(2~{s})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid
+c1ccc(c(c1)c2cn3c(csc3n2)CN4CCNCC4)NC(=O)c5cnc6ccccc6n5	SR7	n-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide
+CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)Oc3ccncc3	SR8	1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea
+CC(C)C[C@@H](C(=O)O)NC(=O)c1cn(c2c1cccc2)S(=O)(=O)c3cccc4c3nccc4	SR9	(2~{s})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)O)O)O)N	SRA	adenosine -5'-thio-monophosphate
+[B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O	SRB	l-1-naphthyl-2-acetamido-ethane boronic acid
+[B-]([C@@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O	SRD	d-1-naphthyl-2-acetamido-ethane boronic acid
+CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl	SRE	(1s,4s)-4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
+CC(C)[C@H]1C=CC(=O)NCC\C=C\[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O	SRG	(2s)-2-[[(2s)-1-[[(5s,8s,9e)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid
+CCOC(=O)CCC(=O)N1CCc2c1cccc2	SRH	ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
+[H]/N=C(\CO)/C(=O)O	SRI	(2z)-3-hydroxy-2-iminopropanoic acid
+c1ccc(cc1)[C@@H]([C@H]2C3(CCC(N2CC4CC4)CC3)O)O	SRJ	(3~{s})-2-(cyclopropylmethyl)-3-[(~{s})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol
+c1ccc2c(c1)CCN2C(=O)CCC(=O)O	SRK	4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid
+CCOP(=O)(C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC	SRL	[2-(3,5-di-tert-butyl-4-hydroxy-phenyl)-1-(diethoxy-phosphoryl)-vinyl]-phosphonic acid diethlyl ester
+C[C@]1(C2=Cc3c(c(c4n3[Fe@]56N2C(=C1CCC(=O)O)C=C7N5C(=C([C@]7(C)CC(=O)O)CCC(=O)O)C=C8N6C(=C4)C(=C8CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)CC(=O)O	SRM	siroheme
+C[C@H]1[C@H]2C\C=C\[C@H]3[C@@H]([C@H]4C[C@@H](O3)[C@H](O4)/C=C/C=C\C=C/C(=O)O[C@H]5C=C[C@H](C\C=C\CC\C=C\[C@@H]([C@@H]([C@H](O2)C[C@@H]1O)O)O)O[C@H]5/C(=C/[C@H](C)CCCCC(=O)O)/C)C	SRN	sorangicin a
+c1cc2c(cc1O)c(c[nH]2)CCN	SRO	serotonin
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)[C@H](CO)N)O)O)N	SRP	seryl adenylate
+c1ccc2c(c1)CCN2C(=O)CCC(=O)OCC(F)F	SRQ	2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
+CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)OCC	SRR	4,4'-[2-(4-ethoxyphenyl)but-1-ene-1,1-diyl]diphenol
+CC(C)C[C@H](CS(=N)(=N)C)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O	SRS	4-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.0(13,18)]nonadeca-12(19),13(18),15,17-tetraene-10-carbamoyl)penta-methylsulfonediimine
+[C@H]([C@H](C(=O)O)O)(C(=O)O)O	SRT	s,r meso-tartaric acid
+CCCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)COC(=O)CCCCCCCC[C@@H](C)CCCCCCCC	SRV	(2s)-2-(heptadecanoyloxy)-3-{[(10s)-10-methyloctadecanoyl]oxy}propyl alpha-d-glucopyranosiduronic acid
+CC12C3([Ru]14567(C2(C4(C5(C63C)C)C)C)([n+]8ccccc8C(c9[n+]7cccc9)NC(=O)c1ccc(cc1)S(=O)(=O)N)Cl)C	SRX	chloro{n-[di(pyridin-2-yl-kappan)methyl]-4-sulfamoylbenzamide}[(1,2,3,4,5,6-eta)-(1r,2r,3r,4s,5s,6s)-1,2,3,4,5,6-hexamethylcyclohexane-1,2,3,4,5,6-hexayl]ruthenium(2+)
+[H]/N=C(/N)\N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N\[H])/N)O	SRY	streptomycin
+C(CO)COC[C@@H](C(=O)O)N	SRZ	propoxy-l-serine
+CN(C)CCCn1c2c(ccc3c2C[C@@H](CO3)CN(C)C)nc1N	SS0	(8r)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine
+C[C@@H](c1ccccc1)O	SS1	1-phenylethanol
+C[C@H](c1ccccc1)O	SS2	(1r)-1-phenylethanol
+Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccccc4)N	SS3	(2s)-1-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}-3-phenylpropan-2-amine
+Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccc(cc4)Br)N	SS4	3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.] pyrazole
+Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4cccc(c4)OCC5CCCCC5)N	SS5	(2s)-1-[3-(cyclohexylmethoxy)phenyl]-3-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine
+Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N	SS6	1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea
+Cc1cc(cc(c1OC[C@H](C)N2C(=O)c3ccccc3C2=O)C)OC(=O)C	SS7	4-{[(2s)-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate
+c1ccc(cc1)/C=C\c2coc3c2[nH]c(c3)C(=O)O	SS8	3-phenethyl-4h-furo[3,2-b]pyrrole-5-carboxylic acid
+C(CCNCCCN)CCS	SS9	5-[(3-aminopropyl)amino]pentane-1-thiol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N	SSA	5'-o-(n-(l-seryl)-sulfamoyl)adenosine
+CCCC[C@H]1CC[S@](=O)C1	SSB	3-butylthiolane 1-oxide
+C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O	SSC	(2s,5s)-5-carboxymethylproline
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O	SSD	1,4-dideoxy-1,4-[[2r,3r)-2,4-dihydroxy-3-(sulfoxy)butyl]episulfoniumylidene]-d-arabinitol inner salt
+C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@H](C(CO)OS([O-])([O-])[O-])O)CO)O)O	SSE	1,4-dideoxy-1,4-[[2s,3s)-2,4-dihydroxy-3-(sulfoxy)butyl]episelenoniumylidene]-d-arabinitol inner salt
+Cc1c(c2ccccn2c1C(=O)c3ccc(c(c3)C(=O)O)N)OC	SSF	2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)S)O	SSG	1,4-dithio-beta-d-glucopyranose
+C([C@@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O	SSH	3-deoxy-d-arabino-hexonic acid
+c1c(c2c([nH]1)C(=O)NC=N2)CN[C@@H](CCP(=O)(O)O)CO	SSI	[(3s)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid
+CC1(C=C(C(N1O)(C)C)C#CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)C	SSJ	2'-deoxy-5-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)
+c1ccc(cc1)[C@@H]([C@H](c2ccccc2)N)N	SSK	(1s,2s)-1,2-diphenylethane-1,2-diamine
+CC1(CC2(CC(N1O)(C)C)OCC(CO2)(CO[P@](=O)(O)OP(=O)(O)O)Nc3ccc(cc3[N+](=O)[O-])N=[N+]=[N-])C	SSL	(3-{[2-(dihydroxyamino)-4-(2lambda~5~-triaza-1,2-dienyl)phenyl]amino}-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undec-3-yl)methyl trihydrogen diphosphate
+CC(=O)N[C@@H](CC[S@@](=O)C)C(=O)NC	SSM	(2s)-2-(acetylamino)-n-methyl-4-[(s)-methylsulfinyl]butanamide
+C(CC(=O)O)C=O	SSN	4-oxobutanoic acid
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H](C(CO)OS([O-])([O-])[O-])O)CO)O)O	SSO	1,4-dideoxy-1,4-[[2s,3s)-2,4-dihydroxy-3-(sulfoxy)butyl]episulfoniumylidene]-d-arabinitol inner salt
+CCCSSCCC	SSP	dithiobis-(propane)
+c1ccc(c(c1)SC2=NN3C(=NNC3=O)C=C2)Cl	SSQ	6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one
+Cc1c(cccc1F)Cc2c(c3c(c(ccc3n2c4ccccc4)O)C)C(=O)N5CCNCC5	SSR	2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indol-5-ol
+c1nc(c(n1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O	SSS	n-{[5-amino-1-(5-o-phosphono-beta-d-arabinofuranosyl)-1h-imidazol-4-yl]carbonyl}-l-aspartic acid
+C([C@@H](C([C@H](CO)O)O)O)O	SST	l-arabinitol
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)O	SSU	uridine-5'-phosphorothioate
+C\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)C	SSV	(3e,5e,7e,9e,11e,13e)-pentadeca-3,5,7,9,11,13-hexaen-2-one
+c1cc(cc(c1)SC2=NN3C(=NNC3=O)C=C2)OC(F)(F)F	SSW	6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one
+CC(=O)c1cccc(c1)NC(=O)C(F)(F)F	SSY	~{n}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide
+CC(=O)Nc1c(cc(cc1O)C(=O)O)[N+](=O)[O-]	ST1	4-(acetylamino)-3-hydroxy-5-nitrobenzoic acid
+CC(=O)Nc1c(cc(cc1O)C(=O)O)N	ST2	4-(acetylamino)-5-amino-3-hydroxybenzoic acid
+CC(=O)Nc1ccc(cc1N)C(=O)O	ST3	4-(acetylamino)-3-amino benzoic acid
+CC(=O)Nc1ccc(cc1NC(N)N)C(=O)O	ST4	4-(acetylamino)-3-guanidinobenzoic acid
+CC(=O)Nc1ccc(cc1NC(=O)CO)C(=O)O	ST5	4-(acetylamino)-3-[(hydroxyacetyl)amino]benzoic acid
+CC(=O)Nc1ccc(cc1NC(=O)C[NH3+])C(=O)O	ST6	4-(acetylamino)-3-[(aminoacetyl)amino]benzoic acid
+[H]/N=C(/NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)Cn3c(cnn3)CO/N=C/c4ccnc5c4cccc5)\NC(=O)NC	ST7	n,n-dibenzyl-n~5~-[n-(methylcarbamoyl)carbamimidoyl]-n~2~-{[5-({[(e)-(quinolin-4-ylmethylidene)amino]oxy}methyl)-1h-1,2,3-triazol-1-yl]acetyl}-l-ornithinamide
+c1cc(ccc1C(=O)N)Nc2nc(c(c(n2)OCC3CCCCC3)N=O)N	ST8	4-{[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino}benzamide
+CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	ST9	stearoyl-coenzyme a
+CC(C)C[C@@H]([C@H](CC(=O)O)O)N	STA	statine
+c1cc(ccc1C(=O)NCCCCNCS)S(=O)(=O)N	STB	4-sulfonamide-[4-(thiomethylaminobutane)]benzamide
+c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl	STC	3-[(4-chloroanilino)sulfonyl]thiophene-2-carboxylic acid
+C[C@H]1[C@H]2C=C[C@@]3(CO3)[C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=C\C(=C/4\C(=O)[C@@H](N(C4=O)[C@@H]5CC[C@@H]([C@@H](O5)C)O)[C@H](C)C(=O)NC)\O)C	STD	streptolydigin
+CCCCCCCCCCCCCCCCCC(=O)O	STE	stearic acid
+c1cc(ccc1C[C@@H]2C(=O)N=C(S2)S)C(F)(F)F	STF	(5r)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4-one
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	STG	estriol 3-(b-d-glucuronide)
+c1ccc2c(c1)C(S[C@H](O2)N)O	STH	2-amino-4h-1,3-benzoxathiin-4-ol
+Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	STI	4-(4-methyl-piperazin-1-ylmethyl)-n-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
+c1cc(cc(c1)C(=O)N)c2cc(ncn2)Nc3ccc(cc3)OC(F)(F)F	STJ	3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide
+c1cc(cc(c1)Cl)SC2=NN3C(=NNC3=O)C=C2	STK	3-(3-chlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one
+c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O	STL	resveratrol
+Cc1c(c(c(nc1C(=O)OC)c2ccc3c(n2)C(=O)C(=C(C3=O)OC)N)N)c4cccc(c4O)OC	STM	methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylate
+CC(C)C[C@H](CN(C=O)O)C(=O)O	STN	2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoic acid
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	STO	staurosporine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@H]([C@@H](O3)CO[P@](=S)(O)O[P@](=O)(O)OP(=O)(O)O)O)N	STP	2'-deoxyadenosine 5'-o-(1-thiotriphosphate)
+c1ccc2c(c1)CCC[C@@H]2N	STQ	(1~{s})-1,2,3,4-tetrahydronaphthalen-1-amine
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	STR	progesterone
+c1ccc(cc1)C[C@H](CS)c2[nH]c3cc[nH+]cc3n2	STS	2-[(1s)-1-benzyl-2-sulfanylethyl]-1h-imidazo[4,5-c]pyridin-5-ium
+c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)Oc4ccccc4F)/C=C/5\C(=O)N(C(=S)S5)CCS(=O)(=O)O	STT	2-[(5~{e})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	STU	staurosporine
+CCS(=O)(=O)NCc1ccc2c(c1)OCO2	STV	~{n}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O	STW	stachyose
+CC(C)(C)c1nnc(o1)C(=O)CNC	STX	1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-(methylamino)ethanone
+c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O	STY	tyrosine-o-sulphonic acid
+CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)N=O	STZ	streptozotocin
+COc1ccc2c(c1)OC(=O)C=C2CC(=O)Nc3ccc(cc3)S(=O)(=O)N	SU0	2-(7-methoxy-2-oxo-2h-chromen-4-yl)-n-(4-sulfamoylphenyl)acetamide
+Cc1c[nH]c(c1CCC(=O)O)\C=C/2\c3ccccc3NC2=O	SU1	3-[(3-(2-carboxyethyl)-4-methylpyrrol-2-yl)methylene]-2-indolinone
+c1ccc2c(c1)C(C(=O)N2)Cc3ccc(cc3)N4CCN(CC4)C=O	SU2	3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone
+CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C	SU3	(5r,7s,10s)-10-tert-butyl-n-{(1r,2r)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1h,5h-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3h)-carboxamide
+C[C@](CN(C1CC1)S(=O)(=O)c2ccc(cc2)O)(c3ccccc3)O	SU4	n-cyclopropyl-4-oxidanyl-n-[(2r)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide
+c1ccc2c(c1)cc([nH]2)C(=O)c3cccnc3	SU5	1~{h}-indol-2-yl(pyridin-3-yl)methanone
+Cc1c(c([nH]c1/C=C\2/c3ccccc3NC2=O)C)CCC(=O)O	SU6	3-{2,4-dimethyl-5-[(z)-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-1h-pyrrol-3-yl}propanoic acid
+c1ccc(cc1)CC2CCN(CC2)C(=O)CC#N	SU7	3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile
+CCCC[C@H](CC(=O)O)C(=O)O	SU8	(2r)-2-butylbutanedioic acid
+COc1ccc2c(c1)/C(=C/c3cnc[nH]3)/C(=O)N2	SU9	(3z)-3-(1h-imidazol-5-ylmethylene)-5-methoxy-1h-indol-2(3h)-one
+c1cc(ccc1NC(=S)OCCc2ccsc2)S(=O)(=O)N	SUA	(4-sulfamoyl-phenyl)-thiocarbamic acid o-(2-thiophen-3-yl-ethyl) ester
+CCOC(=O)C(Cc1ccccc1)NC(=O)[C@@H]2CSCC[N@]2S(=O)(=O)c3ccc(cc3)C	SUB	3-phenyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-propionic acid ethyl ester
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O	SUC	sucrose
+C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O	SUD	4-diphosphocytidyl-2-c-methyl-d-erythritol 2-phosphate
+CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1	SUE	(1ar,5s,8s,10r,22ar)-5-tert-butyl-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8h-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide
+CS(C)CC(O)(P(=O)(O)O)P(=O)(O)O	SUF	[2-(dimethyl-lambda~4~-sulfanyl)-1-hydroxyethane-1,1-diyl]bis(phosphonic acid)
+C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N	SUG	n~2~-(3-carboxypropanoyl)-l-arginine
+C[C@@H](CC(=O)O)C(=O)O	SUH	(2s)-2-methylbutanedioic acid
+C1[C@@H](C(=O)N(C1=O)CC(=O)O)N	SUI	(3-amino-2,5-dioxo-1-pyrrolidinyl)acetic acid
+C[C@H]([C@@H](C(=O)O)N1[C@@H](CC[C@@H](C1=O)N)O)O	SUJ	(2r,3r)-2-[(3s,6r)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid
+[O-]S(=O)(=O)[O-]	SUL	sulfate anion
+CCO[P@](=O)(N(C)C)OC[C@@H](C(=O)O)N	SUN	o-[(r)-(dimethylamino)(ethoxy)phosphoryl]-l-serine
+C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN	SUO	n~2~-(3-carboxypropanoyl)-l-ornithine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO)O)O)O)O	SUP	sucrose-6-phoshpate
+c1cc(ccc1SC2=NN3C(=NNC3=O)C=C2)Cl	SUQ	6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one
+C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	SUR	1-(beta-d-ribofuranosyl)-2-thio-uracil-5'-phosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O	SUS	2-deoxy-3,6-di-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose
+Cc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2	SUT	6-(m-tolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one
+Cc1ccc(c(c1)C(=O)N2CCN(CC[C@H]2C)c3nc4cc(ccc4o3)Cl)n5nccn5	SUV	[(7r)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2h-1,2,3-triazol-2-yl)phenyl]methanone
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc3ccccc3c2)O)O)(C(=O)O)OC)O	SUW	me-a-9-n-(naphthyl-2-carbonyl)-amino-9-deoxy-neu5ac
+CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Sc5cncnc5)Cl	SUY	(1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@](=O)C)F)CC(=O)O	SUZ	[(1z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1h-inden-3-yl]acetic acid
+c1ccc(cc1)CCOC(=O)Cc2ccc(cc2C=O)N	SV1	2-phenylethyl 2-(4-azanyl-2-methanoyl-phenyl)ethanoate
+c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N	SV2	[{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid) 
+Cc1cccnc1N2CCCNCC2	SV4	1-(3-methylpyridin-2-yl)-1,4-diazepane
+c1ccc(cc1)Cn2ccc3c2C=CNC3=O	SV5	1-(phenylmethyl)-5~{h}-pyrrolo[3,2-c]pyridin-4-one
+CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5	SV6	(1s,3ar,6as)-2-[(2s)-2-({(2s)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-n-[(2r,3s)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide
+c1ccc(cc1)P(=O)(O)O	SV7	phenylphosphonic acid
+c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4c[nH]c5c4CNC5=O	SV8	3-[3-(phenylmethyl)-1~{h}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{h}-pyrrolo[3,4-b]pyrrol-6-one
+C([C@@H](C(=O)O)N)O[V](O)([O-])([O-])[O-]	SVA	serine vanadate
+CN1CCN(CC1)NC(=O)CN2C(=O)/C(=C/c3c(ccc(c3Cl)Cl)Cl)/SC2=S	SVB	n-(4-methylpiperazin-1-yl)-2-[(5z)-4-oxo-2-thioxo-5-(2,3,6-trichlorobenzylidene)-1,3-thiazolidin-3-yl]acetamide
+CC(C)(C)[C@H]1CC(=O)N(N1O)C	SVD	(5~{r})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one
+CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC(F)(F)F)C(=O)NC6CCN(CC6)C)CC3)CC	SVE	n-(2,6-diethylphenyl)-1-methyl-8-({4-[(1-methylpiperidin-4-yl)carbamoyl]-2-(trifluoromethoxy)phenyl}amino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+CC(=O)N1CCC(CC1)Cc2ccc(cc2)F	SVF	1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone
+C/C(=N\Cc1cccnc1)/c2ccc(cc2)Cl	SVG	(~{e})-1-(4-chlorophenyl)-~{n}-(pyridin-3-ylmethyl)ethanimine
+c1c(cc2c(c1c3c[nH]c4c3CNC4=O)cn[nH]2)F	SVH	3-(6-fluoranyl-1~{h}-indazol-4-yl)-4,5-dihydro-1~{h}-pyrrolo[3,4-b]pyrrol-6-one
+CN1[C@@H]2CC[C@H]1CC(C2)N	SVJ	(1~{s},5~{r})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
+c1ccc(cc1)Cc2c[nH]c3c2cccn3	SVK	3-(phenylmethyl)-1~{h}-pyrrolo[2,3-b]pyridine
+c1ccnc(c1)CCNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3	SVM	1-[(1~{r},2~{r},4~{s})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea
+c1cnc2c(n1)c(cs2)N	SVN	thieno[2,3-b]pyrazin-7-amine
+CC(C)(C)[P](CCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)(C(C)(C)C)[Pd]3(CC=C3c4ccccc4)Cl	SVP	chloro{di-tert-butyl[2-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-lambda~5~-phosphanyl}(1-phenylprop-1-ene-1,3-diyl-kappa~2~c~1~,c~3~)palladium
+c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2CCc3ccc(cc3)Cl)C(=O)O)Cl	SVQ	1-(4-chlorophenethyl)-2-(2-chlorophenyl)-6-oxopiperidine-3-carboxylic acid
+Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	SVR	8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-1,3,5-naphthalenetrisulfon ic acid
+c1ccc(c(c1)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	SVS	5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine
+COc1ccc2c(c1)cn[nH]2	SVT	5-methoxy-1~{h}-indazole
+C([C@@H](C(=O)O)N)O[P@](=O)(N)O	SVV	o-[(s)-amino(hydroxy)phosphoryl]-l-serine
+C([C@@H](C(=O)O)N)O[P@@](=O)(N)O	SVW	o-[(r)-amino(hydroxy)phosphoryl]-l-serine
+CCO[P@](=O)(C)OC[C@@H](C(=O)O)N	SVX	o-[(r)-ethoxy(methyl)phosphoryl]-l-serine
+CC(C)OP(=O)(OC[C@@H](C(=O)O)N)OC(C)C	SVY	o-[bis(1-methylethoxy)phosphoryl]-l-serine
+CC(C)N[P@@](=O)(O)OC[C@@H](C(=O)O)N	SVZ	o-[(s)-hydroxy(isopropylamino)phosphoryl]-l-serine
+c1cc(sc1)c2nc(cs2)CN	SW1	1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine
+c1ccn(c1)c2cccc(c2)CN	SW2	1-[3-(1h-pyrrol-1-yl)phenyl]methanamine
+Cc1cc(nn1C)CN	SW3	1-(1,5-dimethyl-1h-pyrazol-3-yl)methanamine
+c1c(cncc1OC[C@@H]2CCN2)[C@H]3C[C@@H]3CCO	SW4	2-[(1r,2s)-2-[5-[[(2s)-azetidin-2-yl]methoxy]pyridin-3-yl]cyclopropyl]ethanol
+c1cc(ccc1Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F	SW5	3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+Cc1ccc(cc1)C(=O)N	SW7	4-methylbenzamide
+c1cc(cc(c1)F)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5	SW8	3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+C1C[C@H]([C@@H]2[C@@H]([C@@H](C[N@]2C1)O)O)O	SWA	1s-8ab-octahydro-indolizidine-1a,2a,8b-triol
+Cc1c[nH]c2c1cc(cn2)c3c[nH]c4c3CNC4=O	SWB	3-(3-methyl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)-1~{h}-pyrrolo[3,4-b]pyrrol-6-one
+c1csc2c1ncnc2Cl	SWD	4-chloranylthieno[3,2-d]pyrimidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O	SWE	alpha-d-fructofuranosyl alpha-d-glucopyranoside
+CC(=O)C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O	SWF	s-warfarin
+c1ccc2c(c1)c(c[nH]2)\\C=C/3\\C(=O)N(C(=N3)[C@H](CO)N)CC(=O)O	SWG	2-[(4z)-2-[(1r)-1-amino-2-hydroxy-ethyl]-4-(1h-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid
+[B-](c1ccc(cc1)COc2ccc(cc2)\C=C/3\C(=O)N(C(=O)S3)Cc4ccc(cc4)F)(O)(O)O	SWH	{4-[(4-{(z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-)
+C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](C\C=C(\C=C\C(=O)O[C@@H]([C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]4CC=C[C@H](O4)C[C@@H](CC=C(\C=C\C(=O)O2)C)O)OC)C)O)O)C)[C@@H](C)[C@H]([C@H](C)CC[C@H]5C[C@@H](C[C@@H](O5)C)OC)O)/C)O)OC)C)O)O)C)O)OC	SWI	swinholide a
+CC(=O)[C@H](CC#C)NC(=O)CN	SWJ	2-azanyl-~{n}-[(3~{s})-2-oxidanylidenehex-5-yn-3-yl]ethanamide
+c1ccc(c(c1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F	SWK	3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5	SWN	3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)N4CCC(=CC4=O)c5c(ccc(c5F)Cl)F	SWP	methyl ((10r,14s)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate
+CSc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2	SWQ	6-(3-methylsulfanylphenyl)sulfanyl-2~{h}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
+CC(C)(C1CCC(CC1)NC(=O)c2cc3cnc(cc3nc2)N4CCC4)O	SWS	7-(azetidin-1-yl)-~{n}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide
+Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2	SWT	6-(4-methylphenyl)sulfanyl-2~{h}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
+c1ccc(c(c1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cnccn3)F	SWV	~{n}-[3-[(2-fluorophenyl)sulfamoyl]phenyl]pyrazine-2-carboxamide
+C(CSC[C@H](C(=O)O)N)O	SWW	(2~{s})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid
+c1cc(ccc1CO)c2cncnc2	SWX	(4-pyrimidin-5-ylphenyl)methanol
+COc1ccc(cc1)n2c(nnc2SCCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccncc6	SWY	2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
+O=S	SX	sulfur oxide
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)Br	SX0	(2s)-2-amino-4-({[(2s,3s,4r,5r)-5-(4-amino-5-bromo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)
+c1cc(c(cc1Br)C(=O)O)N	SX1	2-amino-5-bromobenzoic acid
+c1cc(ncc1Br)NC(=O)CCC(=O)O	SX2	4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid
+C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2N)Br)C	SX3	4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline
+c1ccc(c(c1)C[C@H]2CCCN2C(=O)c3cc(ccc3N)Br)Cl	SX4	4-bromo-2-{[(2r)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline
+C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)O)Br)C	SX5	4-[(4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid
+C[C@H]1C[C@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)N3CCOCC3)Br)C	SX6	n-(4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide
+CCn1c(ccn1)c2c[nH]c3c2cc(cn3)c4ccc(c(c4)C(=O)N(C)C)N	SX7	2-amino-5-[3-(1-ethyl-1h-pyrazol-5-yl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylbenzamide
+Cn1cc(cn1)c2ccc3nnc(n3n2)Sc4ccc5c(c4)cccn5	SX8	6-{[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline
+CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXA	thioacetic acid s-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester
+CCO[P@](=O)(CCCc1cc2c3c(c1)C[S@+]([Pd]3([S@@+](C2)C)Br)C)Oc4ccc(cc4)[N+](=O)[O-]	SXC	bromo(4-{3-[(r)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappas)methyl]phenyl-kappac~1~)palladium(2+)
+CC(=O)CC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXD	n-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+CCO[P@@](=O)(NC(C)C)OC[C@@H](C(=O)O)N	SXE	o-{(s)-ethoxy[(1-methylethyl)amino]phosphoryl}-l-serine
+c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F	SXG	2,3,4,5,6-pentafluoro-n-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide
+CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXH	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
+c1cc(c(c(c1)Cl)c2[nH]nnn2)O[C@H]3CC[C@H]4CN[C@@H](C[C@H]4C3)C(=O)O	SXI	(3s,4as,6s,8ar)-6-[3-chloro-2-(1h-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid
+C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(CC(=C(C5(C)C)O)C#N)C)C)(C)C)C(=O)O	SXJ	(13alpha,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oic acid
+c1cc(ccc1c2ccc(cc2F)F)OCC(=O)O	SXK	[(2',4'-difluorobiphenyl-4-yl)oxy]acetic acid
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O	SXM	3-{[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid
+CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H](C(C)(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)COC(=O)CCCCCCCCCCCC(C)C)O)O)O)O)/C)/C	SXN	salinixanthin
+CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXO	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate
+c1cc(c(cc1SC2=NN3C(=NNC3=O)C=C2)Cl)Cl	SXQ	3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one
+CC(C)(COP(O)O)[C@@H](C(=O)NCCC(=O)NCCSCCC(=O)CCc1ccccc1)O	SXR	n~3~-{(2s)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide
+c1cc2c(cc1N)S(=O)(=O)NC2=O	SXS	6-amino-1,2-benzothiazol-3(2h)-one 1,1-dioxide
+CC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXV	n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide
+COc1cc(cc(c1O)OC)\C=C\C(=O)O	SXX	sinapinate
+CC(C)CC(=O)N[C@@H](CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C(=O)O	SXZ	(2s)-4-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid
+c1ccc(c(c1)CN2C(=O)c3ccccc3N=C2N4CCC[C@H](C4)N)C#N	SY1	2-({2-[(3r)-3-aminopiperidin-1-yl]-4-oxoquinazolin-3(4h)-yl}methyl)benzonitrile
+CC(C)[C@H]1C=CC(=O)NCCCC[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O	SY2	n-{[(1s)-2-methyl-1-{[(5s,8s)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-l-valine
+CCCS(=O)(=O)Nc1cc(c(cc1F)F)N	SY4	~{n}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide
+CN(CC(=O)O)NC(=O)C[C@@H](C[C@H](CNCCCN)O)N	SY5	2-[[[(3~{r},5~{r})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid
+COc1cc(ccn1)CN2[C@H]([C@@H](NC2c3ccnc(c3)OC)c4ccnc(c4)OC)c5ccnc(c5)OC	SY7	2-methoxy-4-[[(4~{s},5~{s})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine
+CC(=O)CCCN	SY8	5-azanylpentan-2-one
+c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5	SY9	strychnine
+COc1c(c(cc(c1F)F)C(=O)O)F	SYA	2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid
+c1ccnc(c1)CP(=O)(O)O	SYC	(pyridin-2-ylmethyl)phosphonic acid
+c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O	SYD	[(5-phenylpyridin-2-yl)methyl]phosphonic acid
+c1ccc2c(c1)ccc(n2)CP(=O)(O)O	SYE	(quinolin-2-ylmethyl)phosphonic acid
+CC[C@@H](c1ccccc1O)N	SYG	2-[(1~{s})-1-azanylpropyl]phenol
+C=C1CCN(CC1)C(=O)Cn2c3ccccc3nn2	SYH	2-(1h-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one
+c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2	SYJ	2-fluoranyl-~{n}-(furan-2-ylmethyl)benzenesulfonamide
+C[C@H](C[C@@H](C(=O)[O-])N)C(=O)O	SYM	2s,4r-4-methylglutamate
+C=Cc1ccccc1	SYN	ethenylbenzene
+CCCCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SYO	[(3s)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxooctylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate
+CCC(=O)NCCNc1cc(ncn1)NCCS	SYP	n-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide
+Cc1cccc(n1)C(=O)N[C@@H](C)C2CC2	SYQ	(s)-n-(1-cyclopropylethyl)-6-methylpicolinamide
+COc1cc(cc(c1O)OC)C(=O)OC	SYR	syringate
+C([C@@H](C(=O)O)N)[Se]CC(=O)N	SYS	3-[(2-amino-2-oxoethyl)selanyl]-l-alanine
+C[N@@+]12CCc3cc4c(cc3[C@@H]1Cc5ccc6c(c5C2)OCO6)OCO4	SYT	(5s,12bs)-5-methyl-6,7,12b,13-tetrahydro-2h,4h,10h-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium
+CN1c2ccc(cc2OC1=O)N	SYV	6-azanyl-3-methyl-1,3-benzoxazol-2-one
+C[C@@H]1CN(CCN1S(=O)(=O)c2ccc3c(c2)OC(=O)N3)C(=O)c4ccc5c(c4)ccn5C	SYW	(r)-6-((2-methyl-4-(1-methyl-1h-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3h)-one
+COC(=O)c1c(ccs1)NC(=O)Cc2cccs2	SYY	methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate
+Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O	SYZ	n-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide
+c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)O)S(=O)(=O)c3ccncc3)O)N	SZ0	(2s,4r)-1-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxylic acid
+C1CCCC(CC1)N	SZ1	cycloheptanamine
+c1cnccc1c2nc(on2)C3CCCCC3	SZ2	5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole
+C1CC(CCC1N)O	SZ3	trans-4-aminocyclohexanol
+COc1cccc(c1)CN	SZ4	1-(3-methoxyphenyl)methanamine
+Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	SZ5	2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
+Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)F)C(=O)c4ccc(cc4O)O)Cl	SZ6	n-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-n-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide
+c1cc(sc1)/C=N/NC(=O)C2CC2	SZ7	~{n}-[(~{e})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide
+CN1C[C@@H](C[C@H]1C(=O)OC)N	SZ8	methyl (4r)-4-amino-1-methyl-l-prolinate
+Cc1cc(c(o1)C)CN	SZ9	1-(2,5-dimethylfuran-3-yl)methanamine
+c1cc(sc1)CCNC(=O)c2ccncc2	SZA	~{n}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
+C1=CC(=O)NC1=O	SZB	succinimide
+c1cc2c(c(c1)S(=O)(=O)NC3CCCC3)[nH]c(n2)c4ccc(cc4)C(F)(F)F	SZC	n-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-benzimidazole-4-sulfonamide
+c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)(F)F)NC(=O)c3cc(cc(c3)F)F	SZD	3,5-bis(fluoranyl)-~{n}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide
+CN1CC[N@](CC1=O)c2c(cccn2)F	SZE	4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one
+c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)F	SZG	~{n}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide
+C[C@@H](CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)COC(=O)C(C(F)(F)F)NN	SZH	(2s,6e)-8-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2s)-3,3,3-trifluoro-2-hydrazinopropanoate
+c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)F)NC(=O)c3cc(cc(c3)F)F	SZJ	~{n}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide
+CCn1c2ccccc2nc1NCc3ccco3	SZK	(1-ethyl-1h-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee
+COc1c2c([nH]cn2)ncn1	SZL	6-methoxy-9h-purine
+Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O	SZN	n-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide
+c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)(F)F	SZP	n-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide
+COc1cc(ccc1O)/C=C/C(=O)OC	SZQ	trans-methylferulate
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)O	SZS	methyl 3-o-[3-(benzyloxy)-3-oxopropanoyl]-beta-d-galactopyranoside
+c1ccc(c(c1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O	SZV	4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid
+CN(c1c2c3ccc(cc3[nH]c2ncn1)Cl)[C@H]4CCCN(C4)CCC#N	SZW	3-[(3~{s})-3-[(7-chloranyl-9~{h}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile
+Cc1ccncc1NC(=O)C	SZY	n-(4-methylpyridin-3-yl)acetamide
+C=CC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	SZZ	sinigrin
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T	thymidine-5'-monophosphate
+c1ccc(cc1)C[C@@H]([C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)O)N	T00	n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-phenylalanine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F	T01	n-(4-fluorobenzoyl)-l-gamma-glutamyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
+Cc1cc(c2c(nn(c2n1)c3ccc(cc3)Cl)C(C)C)C(=O)O	T02	1-(4-chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+c1cc(ccc1CSc2[nH]cnn2)F	T03	3-[(4-fluorobenzyl)sulfanyl]-4h-1,2,4-triazole
+c1cc(ccc1\C=C/2\C(=O)NC(=S)S2)NCc3ccc(c(c3)C(=O)NC(CCC(=O)O)C(=O)O)F	T04	2-[[2-fluoro-5-[[[4-[(z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid
+Cc1cccc(c1)Oc2cc(ccc2C(=O)O)S(=O)(=O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C	T05	4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]sulfonyl}-2-(3-methylphenoxy)benzoic acid
+CCc1cc(c2c(nn(c2n1)c3ccc(cc3)F)C(CC)CC)C(=O)O	T06	6-ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+c1cc(c(cc1Cl)Cl)CSc2[nH]c(nn2)N	T07	5-[(2,4-dichlorobenzyl)sulfanyl]-4h-1,2,4-triazol-3-amine
+Cc1cc(ccc1OC[C@H](CO)O)C(C)(C)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O	T08	(2s)-3-{4-[2-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propan-2-yl]-2-methylphenoxy}propane-1,2-diol
+C1CC2=C(NC1)N=C(NC2=O)N	T0A	5-deazatetrahydropterin
+COc1cc2c(cc1OC)nc(nc2N)N3CCN([C@@H]4[C@H]3CCCC4)C(=O)c5ccco5	T0B	[(4~{a}~{r},8~{a}~{s})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](OC(=O)C)S(=O)(=O)O)NC(=O)OCC(C)(C)c2cccc(c2)Cl	T0D	(2~{s})-~{n}-[(1~{r})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{r})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide
+c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)C(=O)NCc5ccn[nH]5)F	T0E	5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(1h-pyrazol-5-yl)methyl]benzamide
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CCC2=C=CCCCC(C)(C)O	T0H	(1r,3s,z)-5-(2-((3as,7as,e)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4h-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
+c1cn(cn1)c2cc(c(cc2O)O)C[C@@H](C(=O)O)N	T0I	(2s)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid
+c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N	T0J	n~1~-phenylpiperidine-1,4-dicarboxamide
+CC[Hg]Sc1ccccc1C(=O)O	T0M	thiomersal
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(NC3N(CCN3C)C)O)O	T0N	~{n}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidous acid
+c1ccc(cc1)C(=O)CN2C=[N](C3=C2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F	T0P	[(2~{r},3~{r},4~{s},5~{r})-5-(2-azanyl-6-oxidanylidene-7-phenacyl-1~{h}-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(NC3N(CCN3C)C)O)O	T0Q	~{n}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidous acid
+CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3	T0R	 toremifene
+CC(=O)NCc1ccc(cc1)S(=O)(=O)N	T0S	n-[(4-sulfamoylphenyl)methyl]acetamide
+c1ccc(c(c1)/C=C/c2ccc(cc2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	T0T	(1r)-1-{4-[(e)-2-(2-aminophenyl)ethenyl]phenyl}-1,4-anhydro-2-deoxy-5-o-phosphonato-d-erythro-pentitol
+c1cc(cc(c1)F)CNCc2ccco2	T0V	1-(3-fluorophenyl)-n-[(furan-2-yl)methyl]methanamine
+CCN(Cc1ccoc1)C(=O)Cn2c3ccccc3nn2	T0W	2-(benzotriazol-1-yl)-~{n}-ethyl-~{n}-(furan-3-ylmethyl)ethanamide
+c1cscc1CN2CCC(CC2)O	T0Y	1-[(thiophen-3-yl)methyl]piperidin-4-ol
+c1ccc(cc1)C[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	T10	[1-(1-benzyl-3-hydroxy-2-oxo-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
+c1cc(ccc1C[C@@H](C(=O)O)N)C2(NN2)C(F)(F)F	T11	4-[3-(trifluoromethyl)diaziridin-3-yl]-l-phenylalanine
+CC(C)(C)C(=O)Oc1ccc2c(c1)nc(n2CCCO)NC(=O)c3cccc(c3)[N+](=O)[O-]	T12	1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]-1h-benzimidazol-5-yl pivalate
+COc1ccc(cc1F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F	T13	2,3,4,5,6-pentafluoro-n-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
+c1ccc(c(c1)c2cc(c3c(c2)nc([nH]3)C4=NOC5(C4)CCCCC5)C(F)(F)F)C(F)(F)F	T14	3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1h-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene
+Cc1c(n(cn1)CC(=O)NC(C)(C)C)CNC(=O)CN2C(=CC=C(C2=O)NS(=O)(=O)Cc3ccccc3)C	T15	2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2h)-yl}-n-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1h-imidazol-5-yl}methyl)acetamide
+B([C@H](CCC(Br)Br)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccccc2)NC(=O)CCCC=O)(O)O	T16	borolog2
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCn4cc(nn4)CCCC(=O)NCC(=O)O)C	T17	{[4-(1-{3-[(3as,4r,7r,9r,10r,11r,13r,15r,15ar)-10-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4h)-yl]propyl}-1h-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid
+CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(N2)C3=C(c4cc(ccc4N(C3=O)Cc5ccc(cc5)F)F)O	T18	n-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4h-1,4-benzothiazin-7-yl}methanesulfonamide
+B([C@H](C(C)C)NC(=O)c1cccn1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)(O)O	T19	phenylmethylenecarboxy-(methyleneamino-formyl-diphenylmethyl)methy-pro-boroval
+CC[As+](CC)(CC)CC	T1A	tetraethylarsonium ion
+CCc1ccc2c(c1)nc([nH]2)c3cnnn3C	T1B	5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazole
+CC(C)(C)NCC(=O)Nc1cc(c2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)[NH+](C)C)O)O)[NH+](C)C	T1C	tigecycline
+COc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccccc3	T1D	5-(4-methoxybiphenyl-3-yl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide
+CN/C(=N/C)/NC1CCN(CC1)c2cc(cc(c2)OC)OC	T1E	1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine
+C[C@@H]([C@H](C)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O	T1G	(2s,3s)-3-hydroxy-2-methylbutanoyl-coa
+CN/C(=N\C)/NC1CCN(CC1)CC(=O)NCc2ccc3c(c2)nc([nH]3)c4cnnn4C	T1H	2-[4-[[(~{e})-~{n},~{n}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{n}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazol-5-yl]methyl]ethanamide
+c1ccc(c(c1)CNc2[nH]c3ccccc3n2)O	T1J	2-{[(1h-benzimidazol-2-yl)amino]methyl}phenol
+CCN(C)c1cc(nc2n1ccn2)c3ccccc3O	T1K	2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol
+C[C@@H]1[C@H](CCCN1Cc2ccccc2)O	T1M	(2r,3r)-1-benzyl-2-methylpiperidin-3-ol
+C[C@@H](c1ccc2cc(ccc2c1)SC)C(=O)O	T1N	(2s)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid
+CC(=O)CNC(=O)CCCC[C@@H]1[C@@H]2[C@H](CS1)NC(=O)N2	T1O	5-[(3as,4r,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-n-(2-oxopropyl)pentanamide
+C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)COP(=O)(O)O	T1P	3-{2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate
+CCCS(=O)(=O)Nc1ccc(c(c1F)C2=Cc3cnc(nc3N(C2=O)C)NCCCO)F	T1Q	n-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@@H]3C[C@@H]2O4)O)S(=O)(=O)c5ccc(cc5)OC	T1R	(1r,3as,5r,6s,7ar)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1cc(cc(c1)Cl)CN2CCOCC2	T1S	4-[(3-chlorophenyl)methyl]morpholine
+c1cc2c(c3c1[nH]nc3)c4c(c(n2)c5cn[nH]c5C(F)(F)F)CS(=O)CC4	T1T	7-(3-(trifluoromethyl)-1h-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide
+CC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2	T1V	1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+C[C@H]1CCCCN1C(=O)N2CCOCC2	T1W	[(2~{s})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone
+CC(=O)N1CCN(CC1)S(=O)(=O)c2cccc(c2)F	T1Y	1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1cc(c(cc1n2cc(nn2)CO)Cl)Cl	T1Z	[1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol
+c1ccc(cc1)n2c3ccc(cc3nc2NC(=O)c4cccc(c4)N(=O)=O)CN5CCCCC5	T20	3-nitro-n-[1-phenyl-5-(piperidin-1-ylmethyl)-1h-benzimidazol-2-yl]benzamide
+c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O	T21	2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5h)-one
+CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N	T22	2-({6-[(3r)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}methyl)benzonitrile
+C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O	T23	2'-o-methyl-3'-methyl-3'-deoxy-arabinofuranosyl-thymine-5'-phosphate
+CC\C=C/C[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O	T24	(9z,11e,13s,15z)-13-hydroxyoctadeca-9,11,15-trienoic acid
+CCCCC[C@H]1[C@H](O1)C\C=C/CCCCCCCC(=O)O	T25	(9z)-11-[(2r,3s)-3-pentyloxiran-2-yl]undec-9-enoic acid
+c1cc(cc(c1)NCc2ccc(cc2)\C=C/3\C(=O)NC(=S)S3)C(=O)N[C@H](CCC(=O)O)C(=O)O	T26	(2r)-2-[[3-[[4-[(z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]methylamino]phenyl]carbonylamino]pentanedioic acid
+Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N	T27	4-{[4-({4-[(e)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
+c1cc2c(cc1Br)c-3c([nH]2)CCCc4c3nc(nc4)N	T28	11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine
+B([C@H](CCCSC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)CC)(O)O	T29	tri166 (bifunctional boronate inhibitor)
+Cc1c2cnc(nn2c(n1)c3ccccc3)Nc4cc(c(c(c4)OC)OC)OC	T2A	5-methyl-7-phenyl-n-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
+c1cc(ccc1O)Oc2c(cc(cc2I)C[C@@H](CO)N)I	T2B	4-{4-[(2s)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol
+C1CS[C@H](N1)C(=O)O	T2C	(2s)-1,3-thiazolidine-2-carboxylic acid
+c1ccc(cc1)N2CC(=O)NS2(=O)=O	T2D	1,2,5-thiadiazolidin-3-one-1,1-dioxide
+c1cc(cnc1)CNc2ccc(cc2C(=O)O)N	T2E	5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid
+Cc1cccc(c1)CN2CCN(CC2)C(=O)C	T2G	1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
+CCOc1cccc(c1)c2nnc(s2)N	T2H	5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
+CC(=O)N1CCN(CC1)c2ccccc2[N+](=O)[O-]	T2J	1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one
+c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)Cl)Cl	T2K	3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid
+CC(C)(C)OC(=O)NN(C)C#N	T2M	tert-butyl 2-cyano-2-methylhydrazinecarboxylate
+O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1	T2N	3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane
+C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O	T2P	3-{2,6,8-trioxo-9-[(2s,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate
+CS(=O)(=O)C1CCN(CC1)c2cccc(c2)CN3C=C(C=CC3=O)c4nc(no4)c5ccc(cc5)OC(F)(F)F	T2Q	1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3C[C@H]2O4)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C	T2R	(1s,3ar,5s,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2s,3r)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=S)(O)S)O	T2S	thymidine-5'-dithiophosphorate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)C[C@H](C)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=C(C(=O)NC4=O)C)OC)O	T2T	[(2s,3s,5r)-3-[(2s)-3-({[(2r,3s,4r,5r)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}amino)-2-methyl-3-oxopropyl]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
+CC(=O)N1CCC[C@H](C1)c2nc3ccccc3s2	T2V	1-[(3r)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one
+C[C@@H](/C=C\C(=O)NC1CCC(CC1)C/C=C(\C)/C=C/[C@@H]2C[C@@](CC(O2)(C)C)(C)O)OC(=O)NC	T2W	[(~{z},2~{s})-5-[[4-[(2~{e},4~{e})-3-methyl-5-[(2~{s},4~{r})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{n}-methylcarbamate
+CC(=O)NCc1ccc2c(c1)OCO2	T2Y	n-[(2h-1,3-benzodioxol-5-yl)methyl]acetamide
+CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O)O	T2Z	[(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{r})-6-methyl-6-oxidanyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate
+c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O	T3	3,5,3'triiodothyronine
+CC(C)n1c(nnc1C2(CC2)c3ccc(cc3)F)c4ccc(cc4)OC(F)(F)F	T30	3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4h-1,2,4-triazole
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)O)O	T31	thymidine 5'-monothiophosphate
+C[C@@H]1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C	T32	6'-alpha-methyl carbocyclic thymidine 5'-monophosphate
+c1cc(c(cc1C[C@@H](C(=O)O)N)I)Oc2ccc(c(c2)I)O	T33	3,3'-deiodo-thyroxine
+Cc1ccc(cc1NCc2ccccc2)C(=O)NO	T34	4-methyl-~{n}-oxidanyl-3-[(phenylmethyl)amino]benzamide
+CC[C@@H](c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC	T35	2-[4-[5-[(1~{s})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid
+CC1=CN(C(=O)N=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T36	split linkage thymidine 5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N	T37	3'-amino-2'deoxythymidine 5'-monophosphate
+CCOCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O	T38	2'-o-ethoxymethylene thymidine 5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC	T39	2'-o-methoxyethylene thymidine 5'-monophosphate
+C(CNC(CO)(CO)CO)CS(=O)(=O)O	T3A	n-(tris(hydroxymethyl)methyl)-3-aminopropanesulfonic acid
+CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)Nc4ccccc4	T3B	2-(2-methylpropanoylamino)-~{n}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCNCC4)C#N	T3C	2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C/C=C/CC(=O)O)O	T3D	(~{e})-6-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)S(=O)(=O)N)C#N	T3E	3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O	T3F	(3r,4s,5r,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
+CC(=O)N1CCN(CC1)S(=O)(=O)c2c(cccc2F)F	T3G	1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+CN/C(=N\C)/Nc1ccc(cc1)N2CCC[C@H]2C(=O)NCc3ccc4c(c3)nc([nH]4)c5cnnn5C	T3H	(2~{s})-1-[4-[[(~{e})-~{n},~{n}'-dimethylcarbamimidoyl]amino]phenyl]-~{n}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide
+CC(=O)N1CCO[C@H](C1)c2ccc(cc2)F	T3J	1-[(2r)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one
+C/C(=N\OCCC(=O)N1CCOCC1)/c2ccc(c(c2)OC3CCCC3)OC	T3K	3-[(~{e})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one
+COc1cc(cc(c1OC)OC)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N	T3M	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid
+CC(=O)Nc1ccc(cc1)OCC(=O)O	T3N	2-(4-acetamidophenoxy)ethanoic acid
+CC1=CC[C@H]2C[C@@H]1[C@@H](OC2(C)C)c3ccc(cc3)O	T3O	4-[(1s,2r,5s)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O	T3P	thymidine-3'-phosphate
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O	T3Q	[(3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3CCCCC3)O	T3S	5'-deoxy-5'-piperidin-1-ylthymidine
+c1ccnc(c1)CNCc2ccc3c(c2)OCO3	T3T	1-(1,3-benzodioxol-5-yl)-~{n}-(pyridin-2-ylmethyl)methanamine
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2F	T3V	1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1cc(ccc1c2cn3c(n2)CC=NC3=O)I	T3W	2-(4-iodophenyl)-8~{h}-imidazo[1,2-c]pyrimidin-5-one
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	T3Y	25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid
+Cc1cccc(n1)C(=O)N[C@H](C)C2CC2	T3Z	(r)-n-(1-cyclopropylethyl)-6-methylpicolinamide
+Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCNCC4	T40	5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2h)-one
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	T41	1-(2-o-methyl-beta-d-arabinofuranosyl)thymidine 5'-monophosphate
+B([C@H](CCCOC)NC(=O)c1cccn1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N[C@@H](N4CCOCC4)O)(O)O	T42	morpholino-diphenylalanine-methoxypropylboronic acid
+c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N	T44	3,5,3',5'-tetraiodo-l-thyronine
+COC(=O)c1cn[nH]n1	T45	methyl 2h-1,2,3-triazole-4-carboxylate
+C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O	T46	dtdp-4-keto-6-deoxyglucose
+CC(=O)N1CCN(CC1)Cc2cccc(c2)Cl	T47	1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H]([C@@H]2O)COP(=O)(O)O)O	T48	6'-alpha-hydroxy carbocyclic thymidine 5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)COP(=O)(O)O)O	T49	s4'-2'deoxythymidine 5'-monophosphate
+c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O	T4A	3,3',5,5'-tetraiodothyroacetic acid
+CCc1c(c(nn1c2ccccc2c3cccc(c3)OCC(=O)O)c4ccccc4)c5ccccc5	T4B	((2'-(5-ethyl-3,4-diphenyl-1h-pyrazol-1-yl)-3-biphenylyl)oxy)acetic acid
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2C#N	T4D	2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile
+c1ccc(cc1)c2c(nnc(n2)N)c3ccc(c(c3)Cl)O	T4E	4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol
+C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@H](CC3CCCCC3)NS(=O)(=O)N[C@@H](CCCCN)C(=O)O	T4F	(2~{s})-6-azanyl-2-[[(2~{s})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{r},2~{s},4~{r})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta nyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid
+Cc1cc(cc(n1)C)c2c(nc(nn2)N)c3ccccc3	T4G	6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine
+c1cc(cc(c1)Cl)C(=O)NCCN2C(=O)CSC2=O	T4H	3-chloro-n-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide
+CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2	T4J	n-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O	T4K	(2r,3r,4s,5s,6r)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C[C@@H](c1cccc2c1cccc2)NC(=O)C	T4M	n-[(1r)-1-(naphthalen-1-yl)ethyl]acetamide
+COc1ccc(cc1)NC(=O)C[C@H]2C(=O)NCCS2	T4N	~{n}-(4-methoxyphenyl)-2-[(2~{s})-3-oxidanylidenethiomorpholin-2-yl]ethanamide
+C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O	T4P	3-{2,6,8-trioxo-9-[(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate
+c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCCS	T4Q	2-(2-cyanophenyl)sulfanyl-~{n}-(3-sulfanylpropyl)benzamide
+CC1=CN(C(=O)N=C1[SeH])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T4S	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroseleno-5-methylpyrimidin-2(1h)-one
+CCCCCCCCCCCCCCSCC(=O)O	T4T	2-tetradecylsulfanylethanoic acid
+CC(=O)N1CCN(CC1)Cc2cccc3c2cccc3	T4V	1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one
+c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCS	T4W	2-(2-cyanophenyl)sulfanyl-~{n}-(2-sulfanylethyl)benzamide
+Cc1ccccc1CN2CCCN(CC2)C(=O)C	T4Y	1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one
+c1cc(ccc1SCC(=O)NCCCS)Cl	T4Z	2-(4-chlorophenyl)sulfanyl-~{n}-(3-sulfanylpropyl)ethanamide
+Cc1cccc2c1nc(n2Cc3c(cccc3F)F)c4c(cccc4F)F	T50	1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1h-benzimidazole
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3ccccc3COc4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-]	T51	n-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
+CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCC[NH3+]	T52	n-{6-[3-(4-aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3cccc(c3)COc4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-]	T53	n-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
+c1cscc1[C@@H]2CCC[C@@H]2C(=O)N	T54	(1r,2s)-2-(thiophen-3-yl)cyclopentane-1-carboxamide
+CC(C)CCCCCCC(=O)O	T55	8-methylnonanoic acid
+c1ccc2c(c1)c3cccc(c3o2)/C=C/C(=O)NO	T56	(e)-3-dibenzofuran-4-yl-n-oxidanyl-prop-2-enamide
+c1cc(ccc1C(=O)NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F	T57	n-{6-[(4-fluorobenzoyl)amino]hexanoyl}-l-gamma-glutamyl-5-{[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-l-norvaline
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC/C=C/COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6	T58	2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	T5A	p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]([C@@H](COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)O)O	T5B	2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione
+C\C(=C/C=CC1=[N+](c2ccc(cc2C1(C)C)S(=O)(=O)O)CCS(=O)(=O)O)\C=C\C=C\3/C(c4cc(ccc4N3CCS(=O)(=O)O)S(=O)(=O)O)(C)C	T5C	2-{(1e,3z,5e,7e)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2h-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3h-indolium
+c1ccnc(c1)C2(CCCC2)CO	T5D	[1-(pyridin-2-yl)cyclopentyl]methanol
+CN1CCN(CC1)CCCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCCN6CCN(CC6)C)NCCCCN7CCN(CC7)C)CCCCN8CCN(CC8)C	T5E	2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1 ,3,6,8(2h,7h)-tetrone
+C1CCC(CC1)C[C@@H](C(=O)NC23CC4CC(C2)CC(C4)C3)NS(=O)(=O)N[C@@H](CCCCN)C(=O)O	T5F	(2~{s})-2-[[(2~{s})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid
+c1cc(ccc1S(=O)(=O)N)Br	T5G	4-bromobenzene-1-sulfonamide
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]([C@H](COc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC)O)O	T5H	2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione
+Cc1ccc(cc1F)Nc2cc(c3c(n2)cccc3O)C	T5J	2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O	T5K	[[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4s,5r,6r)-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
+CC(C)(C)c1cc(ccc1O)C(=O)N2Cc3ccccc3C2	T5M	2-tert-butyl-4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)phenol
+CC(C)(C(=O)NCCS)Oc1ccc(cc1)Br	T5N	2-(4-bromanylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+COC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T5O	2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate)
+C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O)COP(=O)(O)O	T5P	3-{2,6,8-trioxo-9-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate
+CC(C)(C(=O)NCCS)Oc1cc(cc(c1)F)F	T5Q	2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+C[Se]C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T5S	 2'-deoxy-5-(methylselanyl)uridine 5'-phosphate
+CC(C)(C(=O)NCCS)Oc1ccc(cc1)F	T5T	2-(4-fluoranylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+c1c(cncn1)N	T5V	pyrimidin-5-amine
+CC(C)(C(=O)NCCS)Oc1cc(cc(c1)Cl)Cl	T5W	2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H](COP(=O)(O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	T5X	2-c-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia zol-3-ium-2-yl}-5-o-phosphono-d-xylitol
+c1ccnc(c1)O	T5Y	pyridin-2-ol
+CC(C)(C(=O)NCCS)Oc1ccc(c(c1)OC)Br	T5Z	2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO	T61	3-benzamido-4-chloranyl-~{n}-oxidanyl-benzamide
+c1ccc2c(c1)c3nc(nn3c(n2)Cc4cc(cc(c4)O)O)N	T62	5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol
+CC1=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O[C@H]4C[C@H](N5[C@@H](C1=NC2=O)[C@@](C(=O)NC5=O)(C)O)O[C@@H]4COP(=O)(O)O)O)O	T64	(6-4)photoproduct
+CCCCCCCCCC/C=C/CCC(=O)/C=N/CC(=O)O	T65	2-[e-(e-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid
+CC1=CN(C(=O)NC1=O)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O	T66	2-aminoethyllysine-carbonylmethylene-thymine
+CN1CCN(CC1)C(=O)Cc2c[nH]c3c2cccn3	T67	1-(4-methylpiperazin-1-yl)-2-(1h-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one
+c1ccnc(c1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	T68	n-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+C[C@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O	T6A	n-[n-(9-b-d-ribofuranosylpurin-6-yl)carbamoyl]threonine-5'-monophosphate
+c1c(cc(c(c1Cl)O)Cl)Cl	T6C	2,4,6-trichlorophenol
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	T6D	alpha-d-glucopyranosyl 6-o-decanoyl-alpha-d-glucopyranoside
+c1cc(ccc1c2csc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	T6E	1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	T6F	2-c-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-o-phosphono-d-glucitol
+CC(C)(C(=O)NCCS)Oc1ccccc1	T6H	2-methyl-2-phenoxy-~{n}-(2-sulfanylethyl)propanamide
+CS(=O)(=O)Cc1[nH]c2ccccc2n1	T6J	2-[(methylsulfonyl)methyl]-1h-benzimidazole
+C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H](C(=O)[C@H](O3)C)O)O)O	T6K	(2r,3r,4r,6r)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2h-pyran-2-yl {(2r,3s,5r)-3-hydroxy-5-[(5r)-5-methyl-2,4-dioxotetrahydropyrimidin-1(2h)-yl]tetrahydrofuran-2-yl}methyl dihydrogen diphosphate
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl	T6M	1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+Cc1ccc(cc1)OC(C)(C)C(=O)NCCS	T6N	2-methyl-2-(4-methylphenoxy)-~{n}-(2-sulfanylethyl)propanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)O)O)O	T6P	trehalose-6-phosphate
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCN(CC4)C(=O)C)C#N	T6Q	2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O)O)O)O)O	T6S	alpha-d-glucopyranosyl 6-o-sulfo-alpha-d-glucopyranoside
+C1[C@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O	T6T	alpha-d-tagatopyranose
+CC(=O)N(c1ccccc1)[C@@H]2CS(=O)(=O)C=C2	T6V	n-[(3s)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-phenylacetamide
+CC(C)(C(=O)NCCS)Oc1ccc(cc1Cl)[N+](=O)O	T6W	2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+CC(=O)N1CCN(CC1)Cc2ccc(s2)Cl	T6Y	1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
+CN1c2ccccc2C(=CC1=O)CP(=O)(O)O	T6Z	[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
+Cc1ccc(c(c1)S(=O)(=O)N2CCN(CC2)C(=O)C)C	T71	1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F	T72	3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid
+C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)c3ccc(cc3)O	T73	(1s,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate
+Cc1cccc(c1Nc2c3cnc(nc3n(n2)CCC(C)(C)OC)Nc4ccc(cc4)N5CCNCC5)C	T74	n~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-n~6~-(4-piperazin-1-ylphenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,6-diamine
+CCc1nc(c(s1)c2ccnc(c2)NC(=O)c3ccccc3)c4cccc(c4)C	T75	tak-715
+c1cc2c(cc1Cl)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)CCNC(=O)CO2)C4CCCCC4	T76	(6r,21as)-17-chloro-6-cyclohexyl-2,3,6,7,10,11,19,20-octahydro-1h,5h-pyrrolo[1,2-k][1,4,8,11,14]benzoxatetraaza-cycloheptadecine-5,8,12,21(9h,13h,21ah)-tetrone
+CN(C)CCOc1ccc(cc1)c2c(c3c([nH]2)ncnc3NCC4SCCS4)c5ccccc5	T77	6-{4-[2-(dimethylamino)ethoxy]phenyl}-n-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(=O)Nc1nc2c(cccc2s1)OC	T7A	n-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
+CC(=O)N1CCC(CC1)NC(=O)c2ccccc2	T7D	n-(1-acetylpiperidin-4-yl)benzamide
+CC(=O)N1CCC(CC1)C(=O)Nc2ccccc2O	T7G	1-acetyl-n-(2-hydroxyphenyl)piperidine-4-carboxamide
+Cc1ccc(cc1)N([C@H]2CS(=O)(=O)C=C2)C(=O)C	T7J	n-[(3r)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-(4-methylphenyl)acetamide
+c1cc(ccc1C[N+]23CC[N+]45[Yb]2678([N+](CC4)(CC[N+]6(CC3)CC(=O)O7)CC(=O)O8)OC(=O)C5)O	T7K	neutral yb(iii)-caged complex
+CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	T7M	(2r)-1-(heptadecanoyloxy)-3-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+CC(=O)OCc1cccc(c1)c2cccc(c2)C(=O)O	T7O	3-[3-(acetyloxymethyl)phenyl]benzoic acid
+CC(=O)N(c1ccc(cc1)F)[C@H]2CS(=O)(=O)C=C2	T7P	n-[(3r)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-(4-fluorophenyl)acetamide
+CC(=O)N1CCC(CC1)C(=O)N2CCCCC2	T7S	1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one
+C[C@H](c1cccc(c1)Cl)NC(=O)C	T7V	n-[(1s)-1-(3-chlorophenyl)ethyl]acetamide
+CC(C)(CC(=O)N1Cc2c([nH]cn2)C[C@@H]1c3nc(no3)c4ccncc4)CC(=O)O	T7W	(r)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5h-imidazo[4,5-c]pyridin-5-yl)pentanoic acid
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C/CCCCC	T7X	phosphatidylinositol
+CC(=O)Nc1cccc(c1)N2CCCC2=O	T7Y	n-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
+Cc1ccc(cc1S(=O)(=O)N2CCOCC2)Nc3ncc(c(n3)C4=C(NC(=NC)S4)C)C#N	T7Z	4-(4-methyl-2-methylimino-3h-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile
+CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC	T80	methylpenta(oxyethyl) heptadecanoate
+CC(=O)N1CCN(CC1)Cc2ccc(s2)Br	T81	1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
+c1cc(cc(c1)Cl)[C@@H](CN)C(=O)N/N=C/c2ccc(c(c2)Br)O	T82	(s,e)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium
+CC(=O)N1CCN(CC1)Cc2ccsc2	T84	1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one
+COc1ccc(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NO	T86	3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{n}-oxidanyl-benzamide
+[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)C4(CC4)/C(=N\OCC(=O)OCC)/c5ccccn5)\N	T87	[(1-{2[(4-carbamimidoyl-phenylamino)-methyl]-1-methyl-1h-benzoimidazol-5-yl}-cyclopropyl)-pyridin-2-yl-methyleneaminooxy]-acetic acid ethyl ester
+CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@H](COc2ccc(cc2)NS(=O)(=O)C)O	T88	n-{4-[(2r)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+CC(=O)N1Cc2ccccc2[C@@H](C1)c3ccccc3	T8A	1-[(4s)-4-phenyl-3,4-dihydroisoquinolin-2(1h)-yl]ethan-1-one
+COc1c2c(cc3c1c(c(c(c3)CC(=O)O)C(=O)/C=C(/c4ccccc4O)\O)OC)cc5c(c2O)C(=O)OC(=C5)C(=O)OC	T8B	thermorubin
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(s2)Cl	T8D	1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)SCC(=O)OC2CCCCC2	T8G	(2~{s},3~{r},4~{r})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CC(=O)N1CCN(CC1)C(=O)c2cccs2	T8J	1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one
+C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)S	T8L	thio-phosohothreonine
+CC(=O)N1CCN(CC1)Cc2cccs2	T8M	1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
+COC(=O)C/C(=C\C(=O)O)/C(=O)O	T8N	(2e)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid
+CC(=O)N1CCN(CC1)c2ccc(cc2)OC	T8P	1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
+CC(C)N(C)C(=O)C1CCN(CC1)C(=O)C	T8S	1-acetyl-n-methyl-n-(propan-2-yl)piperidine-4-carboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)NC(=NC2=O)N	T8T	2'-deoxyguanosine-5'-o-(1-thiotriphosphate)
+CC(=O)Nc1cccnc1Cl	T8V	n-(2-chloropyridin-3-yl)acetamide
+c1cc(ccc1Cc2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)Cc1cc(cc(c1O)C3)Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])O)S(=O)(=O)[O-]	T8W	4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate
+CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS(=O)(=O)O)CO)O	T8X	2-o-sulfo-alpha-d-glucopyranosyl 2-o-hexadecanoyl-3-o-[(2e,4s,6s,8s)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-d-glucopyranoside
+CC(=O)N1CCN(CC1)C(=O)C	T8Y	1,1'-(piperazine-1,4-diyl)di(ethan-1-one)
+Cn1c(cnn1)c2[nH]c3cc(ccc3n2)CN4CCC[C@H]4c5ccncc5	T8Z	2-(1-methyl-1h-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1h-benzo[d]imidazole
+Cc1nnc(n1Cc2ccccc2)SCc3cc(ccc3OC)C(=O)C	T90	1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone
+CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1	T91	n-[2-(1h-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4OC(=O)C=C)Cl	T92	2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate
+CCCCCCOc1ccnc(c1)NC(P(=O)(O)O)P(=O)(O)O	T93	[[(4-hexoxypyridin-2-yl)amino]-phosphono-methyl]phosphonic acid
+CCCCCCCCC(=O)c1cc(c(c(c1)O)O)O	T94	1-(3,4,5-trihydroxyphenyl)nonan-1-one
+CCOc1ccccc1Oc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)CCO)C(=O)Nc5c(cccc5C)C	T95	n-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide
+CC(C)CN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	T97	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](2-methylpropyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+CC1(c2cc(ccc2NC(=S)O1)c3ccc(n3C)C#N)C	T98	5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2h-3,1-benzoxazin-6-yl)-1-methyl-1h-pyrrole-2-carbonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N	T99	adenosine-5'-sp-alpha-thio-triphosphate
+Cc1ccc2c(c1)[C@H](N(CC(=O)N2)C(=O)c3ccc(s3)Br)c4cc(cc(c4)C)C	T9A	(5r)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one
+COc1ccc(cc1)CNC(=O)[C@@H]2CCCO2	T9B	(2s)-n-(4-methoxybenzyl)tetrahydrofuran-2-carboxamide
+c1cc2cn(cc2cc1OC3CCNCC3)C4=C(C(=O)NN=C4)C(F)(F)F	T9D	5-{5-[(piperidin-4-yl)oxy]-2h-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2h)-one
+C[C@H]([C@@H](C(=O)O)N)[SeH]	T9E	selenothreonine
+CC[C@H](c1ccccc1O)N	T9G	2-[(1r)-1-aminopropyl]phenol
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)S(=O)(=O)c6cccs6	T9H	2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide
+CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCC#CBr	T9J	nalpha-acetyl-n-(3-bromoprop-2-yn-1-yl)-l-tyrosinamide
+COC(=O)COc1ccc(cc1)C#N	T9K	methyl 2-(4-cyanophenoxy)ethanoate
+C[C@H]([C@H](C(=O)NCC=C)NC(=O)C)O	T9M	n~2~-acetyl-n-prop-2-en-1-yl-d-allothreoninamide
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)O)C#N	T9N	2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile
+CC(=O)N[C@@H](CC(=O)N)C(=O)NCC=C	T9P	n~2~-acetyl-n~1~-prop-2-en-1-yl-l-aspartamide
+COCC(=O)NCc1ccccc1	T9Q	n-benzyl-2-methoxyacetamide
+CCOC(=O)N1Cc2ccncc2C1	T9S	ethyl 1,3-dihydro-2h-pyrrolo[3,4-c]pyridine-2-carboxylate
+c1ccc(cc1)[Sn](c2ccccc2)c3ccccc3	T9T	triphenylstannanyl
+CC(=O)Nc1ccc(cc1)OC	T9V	n-(4-methoxyphenyl)acetamide
+c1cc(ccc1N2C(=O)CCC2=O)OCC(=O)[O-]	T9W	2-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]acetate
+CCOC(=O)c1cn[nH]c1C(F)(F)F	T9Y	ethyl 5-(trifluoromethyl)-1h-pyrazole-4-carboxylate
+c1ccc2c(c1)ccc(c2O)C[NH+]3CCOCC3	T9Z	2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol
+[Ta]	TA0	tantalum
+CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C	TA1	taxol
+c1ccc(cc1)[C@@H]([C@H](CO)O)N	TA2	(2r,3s)-3-amino-3-phenylpropane-1,2-diol
+C[C@@H]1CN2[C@H]1N(C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	TA3	(4s,5r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methyl-1,3-diazabicyclo[2.2.0]hexan-2-one
+CC(C)C[C@@H](C(=O)O)n1cc(nn1)CN	TA4	(s)-2-[4-(aminomethyl)-1h-1,2,3-triazol-1-yl]-4-methylpentanoic acid
+c1c(n[nH]n1)CO	TA5	2h-1,2,3-triazol-4-ylmethanol
+C([C@@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O	TA6	6-o-phosphono-beta-d-tagatofuranose
+COc1ccc(cc1)C(=O)CC(=O)C(F)(F)F	TA7	4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione
+C[C@@H](C[C@@H](C[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	TA8	polyacrylic acid
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cccc-3c2C(=O)c4c3cccc4)O)O)O	TA9	9-oxo-n-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-piperidin-2-yl]methyl]fluorene-1-carboxamide
+c1cc(ccc1C[P@](=O)(O)O[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(C(Cl)Cl)O)NC(=O)C(F)(F)F	TAA	[4-(2,2,2-trifluoro-acetylamino)-benzyl]-phosphonic acid mono-[2-(2,2-dichloro-1-hydroxy-ethylamino)-3-hydroxy-1-(4-nitro-phenyl)-propyl] ester
+CCc1c(c(nc(n1)N)N)c2ccc(c(c2)N=NN(CCOC(=O)C)Cc3ccccc3)Cl	TAB	acetic acid n-[2-chloro-5-[6-ethyl-2,4-diamino-pyrimid-5-yl]-phenyl]-[benzyl-triazen-3-yl]ethyl ester
+C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O	TAC	tetracycline
+c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N	TAD	beta-methylene-thiazole-4-carboxyamide-adenine dinucleotide
+CC1=CN(C(=O)NC1=O)C\C=C\C[P@](=O)(O)OP(=O)(O)O	TAE	n1-[(e)-4-dihydroxyphosphonyl-but-2-enyl]-thymine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	TAF	2'-deoxy-2'-fluoro-arabino-furanosyl thymine-5'-phosphate
+C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O	TAG	d-tagatose
+c1ccc(cc1)COc2ccccc2C(=O)NN	TAH	2-(benzyloxy)benzohydrazide
+C[C@@H]1C[C@]2([C@@]([C@H]3[C@H]1[C@@]4([C@@H]([C@H]3O)[C@H]5[C@H]([C@@H]([C@@H]4OC(=O)C)OC(=O)C)[C@@]6([C@H](C[C@H]7[C@@H]([C@@H]6OC(=O)C)O7)C(=O)[C@@H]5O)C)C)([C@](C(=O)O2)(C)O)C)O	TAJ	taccalonolide aj
+c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5	TAK	6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
+Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@H](C)O)O)O	TAL	9-(6-deoxy-alpha-l-talofuranosyl)-6-methylpurine
+C(CO)C(CCO)(CCO)N	TAM	tris(hydroxyethyl)aminomethane
+CC(C)(C)C#N	TAN	2,2-dimethylpropanenitrile
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](C[C@@]3(CO3)C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C	TAO	troleandomycin
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N	TAP	7-thionicotinamide-adenine-dinucleotide phosphate
+c1cc2c(cc1N)c(nc(n2)N)N	TAQ	2,4,6-triaminoquinazoline
+[C@H]([C@@H](C(=O)O)O)(C(=O)O)O	TAR	d(-)-tartaric acid
+O[As](O)O	TAS	trihydroxyarsenite(iii)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N	TAT	adenosine-5'-rp-alpha-thio-triphosphate
+C(CS(=O)(=O)O)N	TAU	2-aminoethanesulfonic acid
+CN([C@@H](CC(=O)O)C(=O)O)C(=O)c1cc(ccc1NS(=O)(=O)c2ccc3ccccc3c2)OS(=O)(=O)c4ccc5ccccc5c4	TAV	n-methyl-n-{2-[(2-naphthylsulfonyl)amino]-5-[(2-naphthylsulfonyl)oxy]benzoyl}-l-aspartic acid
+COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@@H]4CCN(C4)C(=O)C=C)N	TAW	futibatinib
+CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC[NH+](C)C)/c3ccccc3	TAX	(z)-2-[4-(1,2)-diphenyl-1-butenyl)-phenoxy]-n,n-dimethylethanaminium
+CC(C)(C)C(=O)N	TAY	2,2-dimethylpropanamide
+C[C@@]1([C@@H](N2[C@@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3	TAZ	tazobactam
+[Tb+3]	TB	terbium(iii) ion
+CC(C)(C)[N+]#[C-]	TB0	tert-butyl isocyanide
+c1ccc(cc1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O	TB1	(3s)-3-(benzyloxy)-l-aspartic acid
+CC(C)(C)c1ccc(cc1)CC=O	TB2	(4-tert-butylphenyl)acetaldehyde
+c1ccn(c1)c2ccc(cc2)N3CCOCC3	TB5	4-(4-pyrrol-1-ylphenyl)morpholine
+C[C@H](CP(=O)(O)O)O	TB6	[(2r)-2-hydroxypropyl]phosphonic acid
+CC(C)(C)OC(=O)N1CC(C1)NC2=Nc3c(cccn3)C(=O)N2	TB7	tert-butyl 3-[(4-oxo-3h-pyrido[2,3-d]pyrimidin-2-yl)amino]azetidine-1-carboxylate
+c1ccc(c(c1)/C=C/C(=O)NO)Cl	TB8	(~{e})-3-(2-chlorophenyl)-~{n}-oxidanyl-prop-2-enamide
+C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C	TB9	4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione
+CCCC[N+](CCCC)(CCCC)CCCC	TBA	tetrabutylammonium ion
+CC(C)(C)NC(=O)O	TBB	tert-butylcarbamic acid
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H](CC4)O	TBC	(9s,10r)-9-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene
+[BH3-][P@@+](O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)OP(=O)(O)O	TBD	2*-deoxy-thymidine-5*-alpha borano diphosphate (isomer rp)
+C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C/C=O)S(=O)=O	TBE	tazobactam intermediate
+CC(C)(C)OC=O	TBF	tert-butyl formate
+CC(C)(C)[C@@H](C(=O)O)N	TBG	3-methyl-l-valine
+CCCCCN[C@@H]([C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)N[C@H]([C@H](Cc2ccccc2)N[C@@H](O)OC(C)(C)C)O)O	TBH	5-(2-{2-[(tert-butoxy-hydroxy-methyl)-amino]-1-hydroxy-3-phenyl-propylamino}-3-hydroxy-3-pentylamino-propyl)-2-carboxymethoxy-benzoic acid
+C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C\C=O)S(=O)=O	TBI	tazobactam trans-enamine intermediate
+C1CCC(C1)NC(=O)NC[C@H]2CCCO2	TBJ	n-cyclopentyl-n'-{[(2r)-oxolan-2-yl]methyl}urea
+CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnc5n4cccc5	TBK	~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{s})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
+C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)OC	TBL	n-[(4-methoxyphenyl)sulfonyl]-d-alanine
+C\C=C\C[C@@H](C)[C@H]([C@@H](C(=O)O)N(C)C)O	TBM	4-methyl-4-[(e)-2-butenyl]-4,n-dimethyl-threonine
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	TBN	'2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+C[C@H]1CN2c3c(ccc(c3C[N@]1CC=C(C)C)Cl)NC2=S	TBO	5-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione
+c1c(cc(c(c1Br)O)Br)Br	TBP	2,4,6-tribromophenol
+CC(C)(C)[C@](CCc1ccc(cc1)Cl)(Cn2cncn2)O	TBQ	(3~{r})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
+Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)[Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1)(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6	TBR	hexatantalum dodecabromide
+c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2	TBS	4,5,6,7-tetrabromobenzotriazole
+c1ccc2c(c1)ccc3c2cc4c(c3)[C@@H]([C@H]([C@H](C4)O)O)O	TBT	8,9,10,11-tetrahydro-benzo[a]anthracene-8,9,10-triol
+CC(C)(C)O	TBU	tertiary-butyl alcohol
+Cc1c(c([nH]c1Cc2c(c(c([nH]2)OC(C)(C)C)C)C=C)Cc3c(c(c([nH]3)\C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O	TBV	3-[2-[[3-(2-carboxyethyl)-5-[[3-ethenyl-4-methyl-5-[(2-methylpropan-2-yl)oxy]-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol -2-yl]methyl]-5-[(z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+CC(C)(C)[C@@](CCc1ccc(cc1)Cl)(Cn2cncn2)O	TBX	(3~{s})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
+CCCC[Sn](CCCC)CCCC	TBY	tributylstannanyl
+COc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)c6[nH]c7cc(ccc7n6)[N@]8CC[C@@H](C8)[NH3+]	TBZ	2''-(4-methoxyphenyl)-5-(3-amino-1-pyrrolidinyl)-2,5',2',5''-tri-benzimidazole
+C1[C@@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)OP(=O)(=O)O	TC	4-azanyl-1-[(2~{r},3~{r},4~{s})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]pyrimidin-2-one
+c1cc(ccc1CNC2CC2)Nc3cc([nH]n3)c4ccc(cc4)c5ccc(cc5O)O	TC0	4'-[5-[[3-[(cyclopropylamino)methyl]phenyl]amino]-1h-pyrazol-3-yl]-[1,1'-biphenyl]-2,4-diol
+c1ccc2c(c1)NC3=NC(=O)N(C=C3S2)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	TC1	3-(5-phospho-2-deoxy-beta-d-ribofuranosyl)-2-oxo-1,3-diaza-phenothiazine
+c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(=O)C3=CC=CC(=O)N3O	TC2	n-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide
+CCO[P@@](=O)(NC)O	TC3	ethyl hydrogen methylamidophosphate
+CCCCNC(=O)OC[C@H](CO[P@H](=O)CCCC)OC(=O)NCCCC	TC4	butyl-phosphinic acid 2,3-bis-butylcarbamoyloxy-propyl ester group
+CCCN[P@](=O)(O)OCC	TC5	ethyl hydrogen propylamidophosphate
+CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O	TC6	(2e)-hexenoyl-coa
+c1c(c(cc(c1Cl)Cl)Cl)O	TC7	2,4,5-trichlorophenol
+CSC1=Nc2ccccc2C(=O)N1c3c(cccc3F)F	TC8	3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3h)-one
+C[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)O)(C)C)OC	TC9	d-tubocurarine
+c1ccc(cc1)\C=C\C(=O)O	TCA	phenylethylenecarboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	TCB	thiocellobiose
+c1ccc(c(c1)Nc2ccc(cc2Cl)Cl)O	TCC	2-(2,4-dichloro-phenylamino)-phenol
+c1cc(ccc1Oc2c(cc(cn2)Cl)Cl)Oc3c(cc(cn3)Cl)Cl	TCD	3,5-dichloro-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}pyridine
+C(CP(CCC(=O)O)CCC(=O)O)C(=O)O	TCE	3,3',3''-phosphanetriyltripropanoic acid
+c1cc(ccc1CCC(=O)N)Br	TCF	3-(4-bromophenyl)propanamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)[N+](C)(C)C)O)NC(=O)C)O)NC(=O)C)O	TCG	2-deoxy-2-(trimethylammonio)-beta-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1->4)-2-(acety  lamino)-2-deoxy-beta-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	TCH	taurocholic acid
+CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O	TCI	(6ar,10ar)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6h-benzo[c]chromen-1-ol
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)OP(=O)(O)O)O	TCJ	[(1~{s},2~{r},4~{r},6~{s},8~{r})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate
+Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl	TCK	n-[(1s)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide
+c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl	TCL	triclosan
+CC1([C@@H]2CC[C@]1(C(=S)C2)C)C	TCM	thiocamphor
+C(#N)[Ni-2](C#N)(C#N)C#N	TCN	tetracyanonickelate ion
+CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1	TCO	tert-butyl(1s)-1-cyclohexyl-2-oxoethylcarbamate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC)O	TCP	5'-methylthymidine
+c1ccc(cc1)[C@H]2C[C@@H]2/[NH+]=C/3\C=C(C(=O)C=C3O)C[C@@H](C(=O)O)N	TCQ	(1s,2r)-n-{(1e)-5-[(2s)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium
+c1ccc2c(c1)c3c([nH]2)CN[C@@H](C3)C(=O)O	TCR	cyclomethyltryptophan
+c1cc(cc2c1cc(cc2)Oc3ccc(cc3O)Cl)O	TCT	6-(4-chloro-2-hydroxy-phenoxy)-naphthalen-2-ol
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2C	TCU	5-hexyl-2-(2-methylphenoxy)phenol
+C(=C(Cl)Cl)Cl	TCV	1,1,2-trichloroethene
+Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-]	TCW	tolcapone
+CCNP(=O)(O)O	TCX	ethylphosphoramidic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)OP(=O)(O)O)O)N	TCY	(2r,3as,4ar,5ar,5bs)-2-(6-amino-9h-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4h)-yl dihydrogen phosphate
+c1c(cc(cc1Cl)Cl)Cl	TCZ	1,3,5-trichloro-benzene
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@H](CO)N)C(=O)O	TD1	o-[(2s)-2-amino-3-hydroxypropanoyl]-n-(2,3-dihydroxybenzoyl)-l-serine
+c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)CO)O	TD2	3-deoxy-3-[4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl]-1-thio-beta-d-galactopyranoside
+C(CCO)CN(C(=O)COP(=O)(O)O)O	TD3	2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate
+C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O	TD4	4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TD5	(4~{r})-4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TD6	(4s)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid
+Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)OP(=O)(O)O)C	TD7	(4e)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-2(3h)-ylidene}-4-hydroxybutanoic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TD8	(5r)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TD9	(5s)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate
+CCCCCCCCCCCCC(=O)O	TDA	n-tridecanoic acid
+B1(c2cc(sc2C=NN1S(=O)(=O)CCC)C)O	TDB	6-methyl-2(propane-1-sulfonyl)-2h-thieno[3,2-d][1,2,3]diazaborinin-1-ol
+Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O	TDC	5a,6-anhydrotetracycline
+CC(C)(C)[C@H](C(=O)O)N	TDD	(2r)-2-amino-3,3-dimethyl-butanoic acid
+CC(C)(C)\C=C\[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1CC[C@H](CNC1=O)O)OC)O)O)O	TDE	(e)-(2r,3r,4s,5r)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-non-6-enoic acid ((3s,6r)-6-hydroxy-2-oxo-azepan-3-yl)-amide
+c1cc(ccc1C[C@H](C(=O)O)N)C(F)(F)F	TDF	4-(trifluoromethyl)-d-phenylalanine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O	TDG	thiodigalactoside
+c1cc(ccc1c2cnnn2c3ccc(cc3)O)O	TDH	4,4'-(1h-1,2,3-triazole-1,5-diyl)diphenol
+CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	TDI	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12	TDJ	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2h-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O	TDK	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1s)-1-hydroxy-1-[(r)-hydroxy(methoxy)phosphoryl]ethyl}-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	TDL	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-carboxy-1-hydroxyethyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\C)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C	TDM	2-[(2e)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate
+CC/C(=C\1/N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)/O	TDN	2-[(2e)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+C[C@H]1C(=O)[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O	TDO	dtdp-4-keto-l-rhamnose
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-]	TDP	thiamin diphosphate
+CC1=CNC(=O)NC1=O	TDR	thymine
+CCCCCCCCCCCCCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C	TDS	8-hydroxy-5,7-dimethoxy-3-methyl-2-tridecyl-4h-chromen-4-one
+c1ccc(cc1)[C@@H](C(=O)N2CCCCCC2)N3C=Nc4c(cn(n4)[C@H]5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)([O-])OP(=O)([O-])OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)[O-])[O-])O)O)C3=S	TDT	1-azepan-1-yl-2-phenyl-2-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone adduct
+c1cc2c(cc1NC(=O)NCCC3=CCCCC3)snn2	TDU	1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea
+c1ccc(cc1)CCCC(=O)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)c5ccc(cc5)F	TDV	1-[(2s,4s)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](C)O)CCOP(=O)(O)OP(=O)(O)O	TDW	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[(1s)-1-oxidanylethyl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O	TDX	thymidine-5'-diphospho-beta-d-xylose
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)NC	TDY	5-(methylamino)thymidine 5'-(dihydrogen phosphate)
+Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@@H]4C(=O)NC(=O)S4)C	TDZ	(5r)-5-(4-{[(2r)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione
+[TeH2]	TE	tellurium
+CC(C)C[C@@H](c1cc(c(cc1OC)O)/C=C\C(=O)O)O	TE1	(2z)-3-{2-hydroxy-5-[(1s)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid
+CC\1(c2ccccc2N(/C1=C\CC3=C(/C(=C\C=C\4/C(c5ccccc5N4C)(C)C)/CCC3)NCCCCCCNC(=O)CCc6ccc(cc6)S(=O)(=O)N)C)C	TE2	3-(4-sulfamoylphenyl)-n-[6-({(6z)-2-[(2z)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethyl]-6-[(2e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide
+CCCCNc1ccc(cc1)C(=O)OCCN(C)C	TE4	tetracaine
+COc1cc(nc(n1)N)c2ccccc2	TE5	4-methoxy-6-phenyl-pyrimidin-2-amine
+O[Te](O)(O)(O)(O)O	TE6	orthotelluric acid
+CN(C)CCNc1ccc2c3c1C(=O)c4cc(ccc4-n3cn2)OC	TE7	5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6h-imidazo[4,5,1-de]acridin-6-one
+C[C@H](C(=O)O)Oc1ccc(cc1)c2ccccc2	TE8	(2~{r})-2-(4-phenylphenoxy)propanoic acid
+CC[NH+](CC)CC	TEA	triethylammonium ion
+C[C@@H]1[C@@H](NC(=C1SC2CN(C2)C3=NCCS3)C(=O)O)[C@H](C=O)[C@@H](C)O	TEB	(4r,5s)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2s,3r)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1h-pyrrole-2-carboxylic acid
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O	TEC	2-amino-6-o-decanoyl-2-deoxy-beta-d-glucopyranose
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C(=O)NCCNC(=O)C[N@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)COP(=O)(O)O)O	TED	5-[(1e)-14-carboxy-10,13-bis(carboxymethyl)-3,8-dioxo-4,7,10,13-tetraazatetradec-1-en-1-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate)
+C(=CS)N	TEE	2-amino-ethenethiol
+c1cc(ccc1C[C@@H](C(=O)O)N)n2ncnn2	TEF	4-(2h-tetrazol-2-yl)-l-phenylalanine
+C(COCCOCC(=O)O)O	TEG	[2-(2-hydroxyethoxy)ethoxy]acetic acid
+c1ccc(cc1)OCC(=O)N2CCNC(=O)C2	TEH	4-(2-phenoxyethanoyl)piperazin-2-one
+Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)O	TEI	2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-5-thiazole-carboxylic acid
+C[C@@H](C[C@H]1CC(=C)C(=O)O1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C	TEJ	(1s,3r,5z,7e,20s,23s)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one
+CCn1c2ccccc2nc1NC(=O)C	TEK	~{n}-(1-ethylbenzimidazol-2-yl)ethanamide
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nc4)c5cccnc5)C	TEL	telithromycin
+C(C=O)C(CN\C=C\C=O)O	TEM	n-(2-hydroxy-4-oxo-butyl)-n-(3-oxo-transpropenyl)amine
+CCOP(=O)(OCC)OCC	TEN	triethyl phosphate
+C(=C(\O)/[O-])\[C@H](C(=O)[O-])O	TEO	malate like intermediate
+CN1c2c([nH]cn2)C(=O)N(C1=O)C	TEP	theophylline
+Cc1c(cccn1)[C@H]2C[C@H](Nc3n2ncc3F)c4cccc5c4ccc(n5)N	TEQ	5-[(5s,7r)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
+C(CCNCCCNCCCN)CN	TER	n-(3-amino-propyl)-n-(5-aminopropyl)-1,4-diaminobutane
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C	TES	testosterone
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O[C@](CF)(C(=O)O)OP(=O)(O)O	TET	uridine-diphosphate-2(n-acetylglucosaminyl-3-fluoro-2-phosphonooxy)propionic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O	TEU	1-o-alpha-d-glucopyranosyl-d-fructose
+CC1=NC(=O)N=C(C1)C(=O)O	TEV	6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid
+[O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O]	TEW	6-tungstotellurate(vi)
+CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3[C@](C)(CCC=C(C)C)C=C)N1C)CO	TEX	(2s,5s)-9-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCn4ncnn4)O)C	TEY	(1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]cyclohexane-1,3-diol
+CC(=O)Nc1ccc2c(c1)nsn2	TEZ	n-(2,1,3-benzothiadiazol-5-yl)acetamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	TF0	2-(acetylamino)-2-deoxy-3-o-beta-d-galactopyranosyl-alpha-d-galactopyranose
+C[C@H]1CN([C@@H](CN1C(=O)[C@](C)(C(F)(F)F)O)C)C(=O)c2ccc(cc2)C#N	TF1	4-({(2r,5s)-2,5-dimethyl-4-[(2r)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrile
+CC[N@@](c1ccccc1)S(=O)(=O)c2ccc(c(c2)C)NC(=O)[C@](C)(C(F)(F)F)O	TF2	(n-{4-[(ethylanilino)sulfonyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
+CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN	TF3	n-(2-aminoethyl)-2-{3-chloro-4-[(4-isopropylbenzyl)oxy]phenyl} acetamide
+C(C(=O)O)(Cl)Cl	TF4	dichloro-acetic acid
+c1ccc(c(c1)c2ccc(c(c2F)F)F)OCCO	TF5	2-[(2',3',4'-trifluorobiphenyl-2-yl)oxy]ethanol
+c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)O	TF6	4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
+C[C@](Cn1ccnn1)([C@H](C(=O)O)N)S(O)O	TF7	(3s)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1h-1,2,3-triazol-1-yl)-d-valine
+C[C@@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O	TF8	(2r,3s,4s,5s)-2,3,4,5-tetrahydroxyhexanoic acid
+C(=O)(C(F)(F)F)O	TFA	trifluoroacetic acid
+C1C[C@H](OC1)C(=O)O	TFB	tetrahydrofuran-2-carboxylic acid
+CCCCCCCCSCC(=O)C(F)(F)F	TFC	1,1,1-trifluoro-3-(octylthio)acetone
+Cc1c(c(nc(n1)c2ccccn2)NCCNc3cccc(n3)C(F)(F)F)Cl	TFD	n-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-n'-[6-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(F)(F)F	TFE	2'-o-[2-(trifluoro)ethyl] thymidine-5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(C(F)(F)[P@@](=O)(C(F)(F)P(=O)(O)O)O)O)O	TFF	5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine
+c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(C(F)(F)F)(O)O	TFG	2,2,2-trifluoro-1-{5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)carbonyl]thiophen-2-yl}ethane-1,1-diol
+N#N	TFH	nitrogen of trifluoro-ethylhydrazine
+CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(=NC=C(C1=O)NS(=O)(=O)C)c2ccc(cc2)N	TFI	2-[5-methanesulfonylamino-2-(4-aminophenyl)-6-oxo-1,6-dihydro-1-pyrimidinyl]-n-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)acetamide
+CCN(/C=C/[C@@H](C)[C@H]([C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@@H](C(C)C)OC(=O)CCCN)OC)OC(=O)[C@H]1CCCO1)OC)C=O	TFJ	(1e,3r,4r,5s,6r,9s,10s,12s)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2r)-oxolane-2-carboxylate
+CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NS(=O)(=O)NC)c2ccccc2	TFK	3-[[(methylamino)sulfonyl]amino]-2-oxo-6-phenyl-n-[3,3,3-trifluoro-1-(1-methylethyl)-2-oxophenyl]-1(2h)-pyridine acetamide
+C[n+]1c2ccc(cc2sc1c3ccc(cc3)N(C)C)O	TFL	2-[4-(dimethylamino)phenyl]-6-hydroxy-3-methyl-1,3-benzothiazol-3-ium
+CCSC(=Nc1ccc(cc1)C(F)(F)F)N	TFM	s-ethyl-n-[4-(trifluoromethyl)phenyl]isothiourea
+[H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](COC(C)(C)C)NS(=O)(=O)Cc2ccccc2)\N	TFN	n-(benzylsulfonyl)-o-tert-butyl-d-seryl-n-(4-carbamimidoylbenzyl)glycinamide
+C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O	TFO	[2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methylphosphonic acid
+CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F	TFP	10-[3-(4-methyl-piperazin-1-yl)-propyl]-2-trifluoromethyl-10h-phenothiazine
+c1cc(ccc1C[C@@H](C(=O)O)N)CC(F)(F)F	TFQ	4-(2,2,2-trifluoroethyl)-l-phenylalanine
+C[C@H]([C@@H](C(F)(F)F)O)NC(=O)CCCC[C@H](C(=O)O)N	TFR	(2r)-2-amino-7-oxo-7-{[(2r,3s)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid
+C(F)(F)(F)S(=O)(=O)O	TFS	trifluoromethanesulfonic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](CO2)OP(=O)(O)O)O	TFT	(l)-alpha-threofuranosyl-thymine-3'-monophosphate
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)O)O)O	TFU	methyl 1-seleno-beta-l-fucopyranoside
+Cc1c(c(nc(n1)c2ccccn2)NCCNc3ccc(cn3)C(F)(F)F)Cl	TFV	n-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-n'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
+Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C	TFX	2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCn4cnnn4)O)C	TFY	(1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol
+c1ccc(cc1)NC(=O)c2ccccc2C(F)(F)F	TFZ	n-phenyl-2-(trifluoromethyl)benzamide
+c1nc2c(n1[C@H]3[C@@H]([C@H](CO3)OP(=O)(=O)O)O)N=C(NC2=O)N	TG	2-azanyl-9-[(2~{r},3~{r},4~{s})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{h}-purin-6-one
+Cc1c(cccc1N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4c(ncs4)C)O	TG0	(2s,4r)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-n-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
+CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	TG1	octanoic acid [3s-[3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha(z), 9balpha]]-6-(acetyloxy)-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)ox y]-2-oxo-4-(1-oxobutoxy)-azuleno[4,5-b]furan-7-yl ester
+c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)O	TG2	4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCc2ccccc2	TG3	ethyl (4r)-4-[[(2s)-4-methyl-2-[[(2s,3r)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
+CCCCNCC(=O)NCCc1ccc(cc1)S(=O)(=O)N	TG4	2-(butylamino)-~{n}-[2-(4-sulfamoylphenyl)ethyl]ethanamide
+CCCCNCC(=O)Nc1ccc(cc1)S(=O)(=O)N	TG5	2-(butylamino)-~{n}-(4-sulfamoylphenyl)ethanamide
+C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O	TG6	6-o-phosphono-d-tagatose
+c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O	TG7	4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O	TG8	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
+C(CS)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	TGA	2-sulfanylethyl beta-d-galactopyranoside
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)S	TGB	[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CSCC(=O)O)O	TGC	3-thiaglutaryl-coa
+CC(=O)[C@H]([C@H]([C@@H](CO)O)O)O	TGD	1-deoxy-d-tagatose
+CCCOCCN1c2cc(ncc2N=C(C1=O)NCCN3CCOCC3)c4ccc(nc4)OC	TGE	7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1h)-one
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2C=O)C(=O)NC(=N3)N	TGF	2-[4-(4-{4-[(2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-carboxy-butyrylam ino)-4-carboxy-butyrylamino]-pentanedioic acid
+C(CC(=O)N[C@@H](CS[C@H](CC(=O)O)C(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	TGG	gamma-glutamyl-s-(1,2-dicarboxyethyl)cysteinylglycine
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N[C@H](C(=O)O)O	TGH	6-{[(s)-carboxy(hydroxy)methyl]amino}-7-hydroxy-l-tryptophan
+CC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O	TGJ	1-deoxy-l-tagatose
+C[C@]1([C@@H]([C@@H]([C@H](CO1)O)O)O)O	TGK	1-deoxy-beta-l-tagatopyranose
+CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	TGL	tristearoylglycerol
+c1ccc(c(c1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O	TGM	4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
+C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O[P@](=O)(c3ccccc3)O)C(=O)OC	TGN	3-(hydroxy-phenyl-phosphinoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CSP(=O)(O)O)O)N=C(NC2=O)N	TGP	5'-thio-2'-deoxy-guanosine phosphonic acid
+CN(C[C@H]1CNC2=C(N1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	TGQ	(2~{s})-2-[[4-[[(6~{r})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
+C[C@@H]([C@]1([C@H]([C@@H](CO1)O)O)O)O	TGR	1-deoxy-alpha-d-xylo-hex-3-ulofuranose
+C[C@@H](C(=O)[C@H]([C@@H](CO)O)O)O	TGS	1-deoxy-d-xylo-hex-3-ulose
+CC(=O)O[C@@H]1[C@@H]([C@H]([C@]2(CS[C@]([C@@H]1O2)(C(=O)N)O)C(=O)O)OP(=O)(O)O)N	TGT	tagetitoxin
+[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O)O)O	TGU	trigalacturonic acid
+c1ccc(cc1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O	TGV	4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid
+CN1c2c(cccn2)C(=O)N[C@H]1c3ccc(cc3Cl)Cl	TGW	(2r)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
+Cc1ccc2c(c1)SCC(=O)N2	TGX	7-methyl-2h-1,4-benzothiazin-3(4h)-one
+C[C@]1([C@H]([C@H]([C@@H](CO1)O)O)O)O	TGY	1-deoxy-alpha-d-tagatopyranose
+c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CO)O	TGZ	(2~{s},3~{r},4~{s},5~{r},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
+[Th+4]	TH	thorium ion
+c1cc(c(cc1O)O)S	TH0	4-mercaptobenzene-1,3-diol
+Cc1ccc2c(c1)nc(s2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	TH1	(1r)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-d-glucitol
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@]34C	TH2	testosterone hemisuccinate
+CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	TH3	trans delta2 palmitenoyl-coenzymea
+c1cc(ncc1CN\2CCS/C2=N\C#N)Cl	TH4	{(2z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
+C[C@H]([C@@H](C(=O)O)N)OC(=O)C	TH5	o-acetyl-l-threonine
+C([C@H]([C@@H](C(=O)O)N)O)O	TH6	4-hydroxy-l-threonine
+c1cc(c(cc1O)O)SO	TH7	2,4-dihydroxybenzenesulfenic acid
+CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O	TH8	thiamphenicol
+CCCCCCOc1cccc(c1)CCCNC(=O)/C=C(/C(=O)O)\O	TH9	(2z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid
+c1ccc2c(c1)c(c3c(n2)CCCC3)N	THA	tacrine
+C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O	THB	tetrahydrobiopterin
+C[C@H]([C@@H](C(=O)O)NC(=O)C)O	THC	n-methylcarbonylthreonine
+Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\CO)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C	THD	2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1,2-dihydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl trihydrogen diphosphate
+C([C@H]([C@@H](C(=O)[O-])O)O)O	THE	threonate ion
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2C=NC3=C([N@@]2CO)C(=O)N=C(N3)N	THF	5-hydroxymethylene-6-hydrofolic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N	THG	(6s)-5,6,7,8-tetrahydrofolate
+CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	THH	n-[4-({[(6s)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+c1ccc(cc1)[C@]23c4ccccc4C(=O)N2CCS3	THI	thiazolo-3-phenylisoindol-1-one
+[O-]S(=O)(=O)[S-]	THJ	thiosulfate
+c1cc(ccc1C2(SCCS2)CCCN3CCC(CC3)(c4ccc(cc4)Cl)O)F	THK	4-(4-chloro-phenyl)-1-{3-[2-(4-fluoro-phenyl)-[1,3]dithiolan-2-yl]-propyl}-piperidin-4-ol
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)N=C(N3)N	THL	n-[4-({[(6s)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O	THM	thymidine
+C=C1CSC(=NC1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2cccs2	THN	2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methylene-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+C[C@H]([C@@H](CO)N)O	THO	reduced threonine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O	THP	thymidine-3',5'-diphosphate
+Cc1c(scn1)CCOP(=O)(O)O	THQ	phosphoric acid mono-[2-(4-methyl-thiazol-5-yl)-ethyl] ester
+C[C@H]([C@@H](C(=O)O)N)O	THR	threonine
+C[C@H]([C@@H](C(=O)[O-])[NH-])O	THR_LEO2	l-threonine c-terminal deprotonated fragment
+C[C@H]([C@@H](C(=O)O)[NH-])O	THR_LEO2H	l-threonine c-terminal protonated fragment
+C[C@H]([C@@H](C(=O)O)[NH-])[O-]	THR_LEO2H_DHG1	l-threonine-c-terminal protonated fragment/with side chain deprotonated og1
+C[C@H]([C@@H](C(=O)[O-])[NH-])[O-]	THR_LEO2_DHG1	l-threonine-c-terminal deprotonated fragment/with side chain deprotonated og1
+C[C@H]([C@@H](C(=O)O)N)O	THR_LFOH	l-threonine free neutral
+C[C@H]([C@@H](C(=O)O)N)[O-]	THR_LFOH_DHG1	l-threonine-free neutral/with side chain deprotonated og1
+C[C@H]([C@@H](C(=O)[O-])[NH3+])O	THR_LFZW	l-threonine free zwitterion
+C[C@H]([C@@H](C(=O)[O-])[NH3+])[O-]	THR_LFZW_DHG1	l-threonine-free zwitterion/with side chain deprotonated og1
+C[C@H]([C@@H]([C-]=O)[NH-])O	THR_LL	l-threonine - linking embedded fragment
+C[C@H]([C@@H]([C-]=O)[NH-])[O-]	THR_LL_DHG1	l-threonine-linking embedded fragment/with side chain deprotonated og1
+C[C@H]([C@@H]([C-]=O)[NH3+])O	THR_LSN3	l-threonine n-terminal protonated fragment
+C[C@H]([C@@H]([C-]=O)[NH3+])[O-]	THR_LSN3_DHG1	l-threonine-n-terminal protonated fragment/with side chain deprotonated og1
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(S)S)O	THS	thymidine-5'-(dithio)phosphate
+CCCCCCCCCCCCCCCC(=O)SCCNC(=O)C	THT	trans-2-hexadecenoyl-(n-acetyl-cysteamine)-thioester
+C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O	THU	tetrahydrodeoxyuridine
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](C(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O	THV	c2-1-hydroxy-3-methyl-propyl-thiamin diphosphate
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](c3ccccc3)O)CCO[P@](=O)(O)OP(=O)(O)O	THW	c2-1-hydroxyphenyl-thiamin diphosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)OCCCCCCNC(=O)c3cc4c([nH]3)ccc5c4CCN5C(=O)c6cc7c([nH]6)ccc8c7CCN8C(=O)c9cc1c([nH]9)ccc2c1CCN2C(=O)N)O	THX	phosphonic acid 6-({6-[6-(6-carbamoyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonyl)-3,6,7,8-tetrahydro-3,6-diaza-as-indocene-2-ca rbonyl]-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonl}-amino)-hexyl ester 5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester
+CC[C@H](C)[C-](c1[n+](c(c(s1)CCO[P@](=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O	THY	c2-1-hydroxy-2-methyl-butyl-thiamin diphosphate
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nc2ccccc2s1)N	THZ	1-[(4s)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine
+CCCCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)S	TI1	[2(r,s)-2-sulfanylheptanoyl]-phe-ala
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@H](Cc3ccccc3)S	TI2	(2-sulfanyl-3-phenylpropanoyl)-phe-tyr
+c1ccc(cc1)C[C@@H](C(=O)NCC(=O)N2[C@H](CC[C@H]2C(=O)O)c3ccccc3)S	TI3	[(2s)-2-sulfanyl-3-phenylpropanoyl]-gly-(5-phenylproline)
+c1cc(cnc1)[C@H]2C3C[C@H]4C[C@@H](C3)CN2C4	TI4	(2r,3s,5r,7s)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane
+Cc1ccccc1c2cccc(c2)C(=O)O	TI7	3-(2-methylphenyl)benzoic acid
+C=CC(=O)OCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCc4ccc(cc4)Cl)O)O	TI8	3-[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate
+c1cc(cnc1)C#C[C@@H]2CCCN2	TI9	3-[(2s)-pyrrolidin-2-ylethynyl]pyridine
+C[C@@H]1[C@H]([C@H]([C@@H](O1)c2nc(cs2)C(=O)N)O)O	TIA	2-(1,5-dideoxyribose)-4-amido-thiazole
+C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)C[N@]1CC=C(C)C	TIB	4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione
+c1ccc(c(c1)C[N@]2CCc3c(ccs3)C2)Cl	TIC	ticlopidine
+c1cc(ccc1c2nnc(s2)N)C(=O)O	TID	4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NS(=O)(=O)Cc3ccccc3)\N	TIF	n-(benzylsulfonyl)-d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NCCN	TIG	n-(2-aminoethyl)-l-tryptophan
+c1cc(sc1)C[C@@H](C(=O)O)N	TIH	beta(2-thienyl)alanine
+CC(C)Oc1cc(cnc1)N2CC[C@@]3(C2)CCCN3C	TII	(5r)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane
+c1ccc2c(c1)C=[N]3c4ccc(cc4O[Cr+]3O2)CCC(=O)O	TIL	[2-[5-carboxyethyl-2-phenolato(nitrilomethylidyne)][phenolato]]chromium(iii)
+CC(C)(C)NC[C@@H](COc1c(nsn1)N2CCOCC2)O	TIM	(2s)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
+CCCC[N@@](CCC1CCCCC1)Cc2ccc(c(c2)c3ccccc3C)C(=O)N[C@@H](CCSC)C(=O)O	TIN	2-{(5-{[butyl-(2-cyclohexyl-ethyl)-amino]-methyl}-2'-methyl-biphenyl-2-carbonyl)-amino]-4-methylsulfanyl-butyric acid
+c1ccc(cc1)C[C@H](CS)C(=O)NCC(=O)O	TIO	(2-mercaptomethyl-3-phenyl-propionyl)-glycine
+CCCSc1nc(c2c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4c5ccc(c(c5)F)F	TIQ	ticagrelor
+C[C@H]1[C@H]2[C@H](C=C([C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=C\C(=C\3/C(=O)CNC3=O)\O)C)C)O	TIR	tirandamycin e
+CC(O)(O)OC[C@@H](C(=O)O)N	TIS	o-(1,1-dihydroxyethyl)-l-serine
+CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)C[C@@H]([C@H](COCc1ccc(cc1)Br)NC(=O)[C@H](C(C)C)NC(=O)c2ccccn2)O	TIT	n-((3s,4s)-5-[(4-bromobenzyl)oxy]-3-hydroxy-4-{[n-(pyridin-2-ylcarbonyl)-l-valyl]amino}pentanoyl)-l-alanyl-l-leucinamide
+C(=O)(N)NC(=O)NC(=O)N	TIU	tricarbonodiimidic diamide
+c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)c4cn5c6c4cccc6CCC5	TIV	(3r,4r)-3-(5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1h-indol-3-yl)pyrrolidine-2,5-dione
+c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O	TIY	2,3,4,6-tetrahydroxy-5h-benzo[7]annulen-5-one
+c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	TIZ	(1r)-1-[4-(aminocarbonyl)-1,3-thiazol-2-yl]-1,4-anhydro-d-ribitol
+CC(C)C1=NOC(=O)N1	TJ1	3-(propan-2-yl)-1,2,4-oxadiazol-5(4h)-one
+CC(C)(C)NC(=O)[C@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)Cl)C=O	TJ2	3-{(1s)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1h-indole-2-carboxylic acid
+Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl)C	TJ3	5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one
+CC1=C(NC(=O)N=C1C)C(=O)O	TJ4	5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
+c1ccc(cc1)c2ccc(cc2)C(=O)O[C@H]3C[C@H](NC3)C(=O)O	TJ5	(2~{s},4~{s})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@](C=O)(NC(=O)[C@@H](c2ccsc2)C(=O)O)OC)C(=O)O)C	TJ7	(2r,4s)-2-[(1s)-1-{[(2r)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid
+c1ccc(cc1)c2nccn2c3ccc(c(c3)Br)C=O	TJ8	2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
+c1ccc(cc1)c2nccn2c3ccc(c(c3)Cl)C=O	TJB	2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde
+COC(=O)C1=NC(=O)Nc2c1cccc2	TJD	methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate
+C[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C)P(=O)(C[C@@H](CCc2ccccc2)C(=O)O)O	TJE	(2s)-2-{[(s)-{(1r)-1-[(n-acetyl-l-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)C(=O)N4CCOCC4)C#N	TJF	4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile
+CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(nc3nc2)C4CC4)O	TJG	7-cyclopropyl-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
+c1cc2c(c(c1)O)C(=O)C=C(C2=O)NCCNc3c4ccc(cc4nc5c3CCCC5)Cl	TJH	2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione
+C1=C(NC(=O)N=C1)C(=O)O	TJJ	2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
+c1cc(c(cc1n2ccnc2c3cc(ccc3F)Br)Br)C=O	TJK	2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde
+Cc1cc(c(s1)C)c2cc(n[nH]2)C(=O)N	TJM	5-(2,5-dimethyl-3-thienyl)-1h-pyrazole-3-carboxamide
+COC(=O)C1=CC=NC(=O)N1	TJP	methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate
+C1CCC2=C(C1)C(=NC(=O)N2)C(=O)O	TJS	2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid
+c1cc2c(cc1C(=S)N)OCO2	TJV	1,3-benzodioxole-5-carbothioamide
+CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5	TJW	5-amino-n-(4-(((2s)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1h-pyrazole-4-carboxamide
+c1ccc2c(c1)C(=NC(=O)N2)C(=O)O	TJY	2-oxo-1,2-dihydroquinazoline-4-carboxylic acid
+CS(=O)(=O)N1CCC[C@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNc4c5cnn(c5ncn4)c6ccccc6	TJZ	~{n}-[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzamide
+CS(=O)(=O)c1ccc(cc1)Oc2cc3c(cc2CN4C(=O)CCC4=O)[nH]c(n3)c5ccccn5	TK1	1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1h-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione
+Cc1c(cccc1c2ccccc2)COc3ccc4nc(c(n4c3)NCCc5ccccc5)CN	TK2	2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{n}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
+C[C@H](CC#C[C@@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	TK3	(1r,3r,7e,17beta)-17-{(2r,6r)-6-hydroxy-7-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CC(=O)Nc1ccc2c(c1S(=O)(=O)O)cccc2S(=O)(=O)O	TK4	2-acetylamino-napthalene-1,5-disulfonic acid
+CS(=O)(=O)N1CCC[C@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5	TK5	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	TK7	diethyl [(4-{(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+C([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O	TK8	d-xylonic acid
+CC[C@H](Cc1ccc(cc1)C(=O)NCc2ccc(cc2C(F)(F)F)OC)C(=O)O	TK9	(2~{r})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
+C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	TKA	(1r,3r,7e,17beta)-17-{(2r,6s)-6-hydroxy-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+Cn1c(c(cn1)C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC3CCCCC3)C(=O)N[C@@H]4CCCN(C4)S(=O)(=O)C)N	TKB	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide
+C[C@H](CC#C[C@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	TKD	(1r,3r,7e,17beta)-17-{(2r,6s)-6-hydroxy-7-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+c1cc(ccc1CCNC(=S)Nc2ccc(cc2)I)S(=O)(=O)N	TKE	1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
+CC(=O)c1cnc2c(n1)C(=O)NC(=N2)NC(=O)C	TKG	1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone
+c1cc(c(cc1n2ccnc2c3ccc(cc3F)F)Br)C=O	TKH	[4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol
+c1ccc(cc1)COc2ccc(cc2)[C@@]3(CCN(C3)C(=O)C4CCS(=O)(=O)CC4)S(=O)(=O)c5ccc(cc5)F	TKJ	4-{(3r)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione
+c1ccc(c(c1)c2nccn2c3ccc(c(c3)Br)C=O)Br	TKK	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
+CC(C)C[C@@H](C(=O)O)n1cc(nn1)[C@H](CCCCN)N	TKL	(2s)-2-{4-[(1s)-1,5-diaminopentyl]-1h-1,2,3-triazol-1-yl}-4-methylpentanoic acid
+COc1cccc(c1C(=O)OC)CCCCC/C=C/CNc2c3ccccc3nc4c2CCCC4	TKN	methyl 2-methoxy-6-[(~{e})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate
+CC(C)(COC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)c3cccc(c3)Cl	TKP	2-(3-chlorophenyl)-2-methylpropyl [(2s)-3-cyclohexyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+c1cc(ccc1CCNC(=O)Nc2ccc(cc2)I)S(=O)(=O)N	TKQ	1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
+CC(C)(COC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S)c3cccc(c3)Cl	TKS	2-(3-chlorophenyl)-2-methylpropyl [(2s)-3-cyclohexyl-1-({(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccc4	TKT	(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1h-indole-3-carboxylate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S)NC(=O)OCC(C)(C)c2cccc(c2)Cl	TKV	n~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-n-{(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-l-leucinamide
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)O	TKW	5-hydroxycytidine 5'-(dihydrogen phosphate)
+C[C@@H](C(=O)N[C@H](C(=O)N1Cc2cc(ccc2C[C@H]1C(=O)N[C@@H]3CCCc4c3cccc4)OCCOCCOCCOCCOCCOC(=O)N5CCC[C@H](C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(cc8F)F)C(=O)N)N)C(C)(C)C)NC	TKY	14-{[(3s)-2-(n-methyl-l-alanyl-3-methyl-l-valyl)-3-{[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3r)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazol-1-yl}piperidine-1-carboxylate
+COC(=O)CCN1CCCc2c1ccc(c2)c3ccc(s3)/C=C(\C#N)/C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	TKZ	(((s)-1-carboxy-5-((e)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-l-glutamic acid
+[Tl+]	TL	thallium (i) ion
+c1cc(cc(c1)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3Oc4cccc(c4)C(=N)N)C(=N)N	TL1	2,5-bis-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol
+[H]/N=C(\c1ccc(cc1)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4cccc(c4)C(=N)N)/N	TL2	2-o-{4-[amino(imino)methyl]phenyl}-5-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol
+c1cc(ccc1C(=N)N)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N	TL3	2,5-bis-o-{4-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol
+c1cc(cc(c1)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N)C(=N)N	TL4	2-o-{3-[amino(imino)methyl]phenyl}-5-o-{4-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol
+C\C=C\C(=C\[C@@]1(C(=C(C(=O)S1)C)O)C)\C	TL5	(5r)-4-hydroxy-3,5-dimethyl-5-[(1e,3e)-2-methylpenta-1,3-dienyl]thiophen-2(5h)-one
+CC1=C([C@@](SC1=O)(C)\C=C\C=C)O	TL6	(5r)-5-[(1e)-buta-1,3-dienyl]-4-hydroxy-3,5-dimethylthiophen-2(5h)-one
+C[C@@H](C(=O)N[C@H](C(=O)N1Cc2cc(ccc2C[C@H]1C(=O)N[C@@H]3CCCc4c3cccc4)OCc5cnc(cn5)COC(=O)N6CCC[C@H](C6)n7c(c(c(n7)c8ccc(cc8)Oc9ccc(cc9F)F)C(=O)N)N)C(C)(C)C)NC	TL7	[5-({[(3s)-2-(n-methyl-l-alanyl-3-methyl-l-valyl)-3-{[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3r)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazol-1-yl}piperidine-1-carboxylate
+COc1cc(ccc1C=O)n2ccnc2c3ccccc3	TL8	2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde
+[C@@H]([C@H](C(=O)O)O)(C(=O)O)O	TLA	l(+)-tartaric acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@@](CO3)([C@H](O2)COP(=O)(O)O)O	TLB	2'-o,3'-c-methylene-arabinofuranosyl-thymine-5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@@](CCO3)([C@H](O2)COP(=O)(O)O)O	TLC	2-o,3-ethdiyl-arabinofuranosyl-thymine-5'-monophosphate
+Cc1ccc(c(c1)S)S	TLD	4-methylbenzene-1,2-dithiol
+CCC1=C([C@@](SC1=O)(C)/C=C(\C)/C=C)O	TLE	(5r)-3-ethyl-4-hydroxy-5-methyl-5-[(1e)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5h)-one
+Cc1c(cccc1Cl)Nc2ccccc2C(=O)O	TLF	2-[(3-chloro-2-methylphenyl)amino]benzoic acid
+C/C(=C/[C@@]1(C(=C(C(=O)S1)C(=O)C)O)C)/C=C	TLG	(5r)-3-acetyl-4-hydroxy-5-methyl-5-[(1z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5h)-one
+C/C(=C\[C@@]1(C(=C(C(=O)S1)C(=O)C(F)(F)F)O)C)/C=C	TLH	(5r)-5-methyl-5-[(1e)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one
+CCCC1=C([C@@](SC1=O)(C)/C=C(\C)/C=C)O	TLJ	(5r)-4-hydroxy-5-methyl-5-[(1e)-2-methylbuta-1,3-dien-1-yl]-3-propylthiophen-2(5h)-one
+COc1cc(ccc1n2ccnc2c3ccccc3)C=O	TLK	3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde
+CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O	TLL	n-[4-({[(6s)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-gamma-glutamyl-l-glutamic acid
+CC1=C([C@@](SC1=O)(C)\C=C(/C)\C=C)O	TLM	thiolactomycin
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O	TLN	[(1r,3r,4r,7s)-7-hydroxy-3-(thymin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O	TLO	5'-o-[(s)-hydroxy{[(s)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O	TLP	3-hydroxy-2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-butyric acid
+c1ccc(cc1)c2nccn2c3ccc(c4c3cccc4)C=O	TLQ	4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde
+CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C)C	TLS	4'-[(1,7'-dimethyl-2'-propyl-1h,3'h-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid
+Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O	TLT	tolmetin
+c1c(cc(c(c1Cl)Oc2cc(c(c(c2)Cl)O)Cl)Cl)C[C@@H](C(=O)O)N	TLV	(2~{s})-2-azanyl-3-[4-[3,5-bis(chloranyl)-4-oxidanyl-phenoxy]-3,5-bis(chloranyl)phenyl]propanoic acid
+C1[C@H]([C@H]([C@H](O[C@H]1C(=O)O)[C@@H](CO)O)O)O	TLW	(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+CC(C)C[C@@H](C[N@@]1CCC[N@]2[C@H]1CCC2)N	TLX	n1-(2-amino-4-methylpentyl)octahydro-pyrrolo[1,2-a] pyrimidine
+CC(=S)NCCCC[C@@H](C(=O)O)N	TLY	(2s)-2-azanyl-6-(ethanethioylamino)hexanoic acid
+C([C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O	TLZ	d-altritol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)OC5(O4)C(=CC(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N	TM1	2',3'-o-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate)
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CNCCS(=O)(=O)O	TM2	5-{[(2-sulfoethyl)amino]methyl}uridine 5'-(dihydrogen phosphate)
+Cc1ccc(c(c1)NCc2ccc3c(c2)n(c(n3)NCCCN4CCOCC4)Cc5c(ccc(n5)C)O)CCCO	TM3	2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1h-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol
+CC1=C(C(=S)C=CO1)O	TM4	3-hydroxy-2-methyl-4h-pyran-4-thione
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)S)CO)CO)CO)CO)O)O)O)O	TM5	thio-maltopentaose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)S[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O	TM6	thio-maltohexaose
+CC1=CC(=S)C(=CO1)O	TM7	5-hydroxy-2-methyl-4h-pyran-4-thione
+c1ccc(cc1)C[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4	TM8	nalpha-[(benzyloxy)carbonyl]-n-[(2s)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-l-phenylalaninamide
+[C@H]1([C@@H]([C@H]([C@@H](O[C@H]1O)C(O)O)O)O)N	TM9	(2r,3r,4s,5r,6r)-3-azanyl-6-[bis(oxidanyl)methyl]oxane-2,4,5-triol
+C[N+](C)(C)C	TMA	tetramethylammonium ion
+C\C=C\C[C@@H](C)[C@H]([C@@H](C(=O)O)N(C)C)O	TMB	n-methyl-4-[(e)-2-butenyl]-4,n-dimethyl-threonine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@]3([C@@H]2C3)CO)O	TMC	1-[4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+CCCC[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O	TMD	(6,7-dihydro)4-[(e)-butenyl]-4,n-dimethyl-threonine
+CCC	TME	propane
+c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)[N@@]2C[C@H]3C=NC4=C([N@]3C2)C(=O)N=C(N4)N	TMF	5,10-methylene-6-hydrofolic acid
+c1ccc2c(c1)[nH]c(n2)c3cscn3	TMG	2-(1,3-thiazol-4-yl)-1h-benzimidazole
+CC1=CC[C@@H]2C[C@H]1C2(C)C	TMH	(+)-alpha-pinene
+c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4	TMI	1-[phenyl-(4-phenylphenyl)-methyl]imidazole
+c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNCC3)Cl	TMJ	n-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
+[CH3].[CH3].[CH3]	TML	methyl part of n-trimethyllysine
+c1c(cc(cc1C(=O)O)C(=O)O)C(=O)O	TMM	1,3,5-benzenetricarboxylic acid
+C(C(CO)(CO)N)O	TMN	tris(hydroxymethyl)aminomethane
+C[N+](C)(C)[O-]	TMO	trimethylamine oxide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	TMP	thymidine-5'-phosphate
+Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC	TMQ	trimetrexate
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)SC	TMR	2,6-dideoxy-4-s-methyl-4-thio-beta-d-ribo-hexopyranose
+COc1cc(cc(c1OC)OC)\C=C\c2ccc(cc2)C(=O)NCCCO	TMS	n-propyl-4-[(e)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-benzamide
+Cc1csc([n+]1C)C	TMT	2,3,4-trimethyl-1,3-thiazole
+COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-]	TMU	n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O[V](O)(O)(O)O	TMV	thiamine-phosphovanadate
+C[N+](C)(C)[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	TMX	2-deoxy-2-(trimethylammonio)-beta-d-glucopyranose
+CCCCCCCC(=O)c1cc(c(c(c1CC(=O)OCC)OC)OC)OC	TMY	ethyl (2,3,4-trimethoxy-6-octanoylphenyl)acetate
+Cc1c(sc[n+]1C)C	TMZ	3,4,5-trimethyl-1,3-thiazole
+c1cc2c(c(c1)O)CCCC2	TN1	5,6,7,8-tetrahydronaphthalen-1-ol
+c1cc(c(cc1[N+](=O)[O-])Cl)Oc2ccc(cc2O)Cl	TN2	5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
+CNC(=O)c1ccc(c(c1)Cl)Oc2ccc(cc2O)Cl	TN3	3-chloro-4-(4-chloro-2-hydroxyphenoxy)-n-methylbenzamide
+CC(=CC[C@@H]1C(O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)NC(=O)CCl)OC)C	TN4	(1r,2s,3s,4r)-4-hydroxy-2-methoxy-4-methyl-3-[(2r,3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate
+c1cc(c(cc1N)Cl)Oc2ccc(cc2O)Cl	TN5	2-(4-amino-2-chlorophenoxy)-5-chlorophenol
+CCN(CC)P(=O)(O)O	TN6	diethylphosphoramidic acid
+CCN[P@](=O)(O)OCC	TN7	ethyl hydrogen ethylamidophosphate
+c1cc(ccc1CCN/C(=N/c2ccc(cc2)I)/[SeH])S(=O)(=O)N	TN8	~{n}'-(4-iodophenyl)-~{n}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid
+C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N	TNA	n-[(3s)-3-{[(3s)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-l-glutamic acid
+c1c(cc(c(c1[N+](=O)[O-])SC[C@@H](C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-]	TNB	s-(2,3,6-trinitrophenyl)cysteine
+CN(C)[C@H]1[C@@H]2Cc3cc4cccc(c4c(c3C(=C2C(=C(C1=O)C(=O)N)O)O)O)O	TNC	4-dimethylamino-1,10,11,12-tetrahydroxy-3-oxo-3,4,4a,5-tetrahydro-naphthacene-2-carboxylic acid amide
+COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4N[C@@H]5CCCc6c5cccc6)CO)O	TND	n-1,2,3,4-tetrahydronaphth-1-yl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine
+CN1[C@H]2CC[C@@H]1CC(=O)C2	TNE	8-methyl-8-azabicyclo[3,2,1]octan-3-one
+c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]	TNF	picric acid
+C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]	TNG	propane-1,2,3-triyl trinitrate
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCNC(=O)c4cccnc4	TNH	n-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide
+Cc1c2c(cc(c1N3C[C@H]4C[C@]4(C3)N)F)C(=C(C(=O)N2C5CC5)F)CN	TNJ	7-[(1s,5r)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1h)-one
+CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3	TNK	6-benzyl-1-benzyloxymethyl-5-isopropyl uracil
+Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	TNL	2,4,6-trinitrotoluene
+C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)OP(=O)(O)O	TNM	[(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxy-phosphinic acid
+C[C@H]([C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)OC)C5=O)O)O)O	TNN	(1as,11s,11ar,14z,18r)-3,8,18-trihydroxy-11a-[(1r)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4h-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10h)-dione
+Cc1cc2c(c(c3cc(c[n+](c3c2nc1)C)C)C)C	TNP	3,5,6,8-tetramethyl-n-methyl phenanthrolinium
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NCC(=O)O	TNQ	6-[(carboxymethyl)amino]-7-hydroxy-l-tryptophan
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)N)CO)O)O	TNR	o-(2-acetamido-2-deoxy-alpha-d-galactopyranosyl)-l-serine
+CN(CCCCC(=O)O)c1ccc(cc1)\C=C\c2ccc(cc2)[N+](=O)[O-]	TNS	n-(trans-4'-nitro-4-stilbenyl)-n-methyl-5-amino-pentanoic acid
+c1cc(ccc1C(=N)N)OCCCOc2ccc(cc2)C(=N)N	TNT	1,3-bis(amidinophenoxy)propane
+C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	TNV	[2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl-triphosphate
+Cc1cccc(c1)N2c3cc(ccc3C(=NC2=O)N(C)C)Cl	TNW	7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
+CC(=S)NC1=CO[C@@H]([C@H]([C@@H]1O)O)CO	TNX	1,5-anhydro-2-deoxy-2-(ethanethioylamino)-d-arabino-hex-1-enitol
+C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C	TNY	(2s,3r)-3-{[(2s,3r,4r,5r,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}-2-aminobutanoic acid (non-preferred name)
+COc1nc2ccc(cc2c(n1)c3ccccc3)Cl	TNZ	6-chloranyl-2-methoxy-4-phenyl-quinazoline
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N	TO1	4-amino-7-(beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+COc1ccccc1O[C@@H](CO)[C@@H](c2ccc(c(c2)OC)OC)O	TO2	(1r,2s)-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
+c1cc(cnc1)CN(Cc2ccc(cc2)C(=O)NO)S(=O)(=O)c3cc(c(c(c3F)F)F)F	TO3	n-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide
+CC(C)O[P@](=O)(CCCCCCCCCCC=C)F	TO4	propan-2-yl (r)-dodec-11-en-1-ylphosphonofluoridate
+CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3cccnc3	TO5	7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one
+c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@H]3C[C@@H]4CC[C@H]3C4)N)[N+](=O)[O-]	TO7	(4-amino-2-{[(1s,2s,4r)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
+CN(C)C1=NC(=O)Nc2c1ccc(c2)Cl	TO8	7-chloranyl-4-(dimethylamino)-1~{h}-quinazolin-2-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O	TOA	3-ammonio-3-deoxy-alpha-d-glucopyranose
+C1[C@@H](C[C@@H]([C@H]([C@@H]1[NH3+])O)O)[NH3+]	TOB	1,3-diamino-5,6-dihydroxycyclohexane
+C1[C@H]([C@H](O[C@@H]([C@H]1O)C[NH3+])O)[NH3+]	TOC	2,6-diammonio-2,3,6-trideoxy-alpha-d-glucopyranose
+CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](c1ccccc1)C(=O)O	TOD	(2s)-({(2r)-2-[(1s)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid
+COCCOCCOCCO	TOE	2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxyl
+CN1C2=NC(=O)N(C(=O)C2=NC=N1)C	TOF	1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1h,6h)-dione
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TOG	4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3 -ium-2-yl]-4-oxidanyl-butanoic acid
+c1ccc(c(c1)C=CC(=O)C(=O)O)O	TOH	(3e)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid
+[H]/N=C/1\C(=CNC(=N1)C)C[n+]2c(c(sc2[C@](CCC(=O)O)([C@H]3C=C[C@@H]([C@H]([C@@H]3C(=O)O)O)OC(=C)C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O)C	TOI	(1~{r},2~{s},5~{s},6~{s})-2-[(1~{s})-1-[3-[(4-azanylidene-2-methyl-1~{h}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid
+c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@@H]3C[C@H]4CC[C@@H]3C4)N)[N+](=O)[O-]	TOJ	(4-amino-2-{[(1r,2r,4s)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
+C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4n5cnc6c5cccc6)C)O	TOK	(3alpha,8alpha)-17-(1h-benzimidazol-1-yl)androsta-5,16-dien-3-ol
+CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC	TOL	tolrestat
+COc1ccccc1C=CC(=O)C(=O)O	TOM	4-(2-methoxyphenyl)-2-oxobut-3-enoic acid
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCO	TON	2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanol
+COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N	TOP	trimethoprim
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)O	TOQ	6,7-dihydroxy-l-tryptophan
+CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C	TOR	[(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
+Cc1ccc(cc1)[S@@](=O)O	TOS	p-sulfinotoluene
+CN1/C(=C/c2c3c([n+](cc2)CCC[N+](CCC[N+](CCC[n+]4c5c(c(cc4)/C=C/6\Sc7c(cccc7)N6C)cccc5)(C)C)(C)C)cccc3)/Sc8c1cccc8	TOT	1,1-(4,4,8,8-tetramethyl-4,8-diazaundecamethylene)-bis-4-3-methyl-2,3-dihydro-(benzo-1,3-thiazole)-2-methylidene)-quinolinium
+C(=S)(N)N	TOU	thiourea
+CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4cc(ccc4F)O	TOV	n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide
+CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)CCO	TOW	7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
+c1ccc2c(c1)c(cn2OO)C[C@@H](C(=O)O)N	TOX	1-hydroperoxy-l-tryptophan
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N	TOY	tobramycin
+c1c(nc(o1)c2csc(n2)CN)C(=O)O	TOZ	2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid
+CN(C)CCC=C1c2ccccc2CCc3c1cccc3	TP0	amitriptyline
+CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC)CC(=O)O	TP1	2-(methylamino)-ethylglycine-carbonylmethylene-thymine
+Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCS	TP2	n-[tosyl-d-prolinyl]amino-ethanethiol
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O	TP3	4-[[glutamic acid]-carbonyl]-benzene-sulfonyl-d-proline
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCC(=O)O	TP4	n-[4-[[glutamic acid]-carbonyl]-benzene-sulfonyl-d-prolinyl]-3-amino-propanoic acid
+[H]/N=C(\c1ccsc1)/N	TP5	thiophene-3-carboximidamide
+C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CCOP(=O)(O)O	TP6	3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) 1-phosphate
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O	TP7	coenzyme b
+[H]/N=C/1\[C@H](C=NC(=N1)C)C[n+]2c(c(sc2/C(=C/CO[P@](=O)(O)[O-])/O)CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])C	TP8	5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1z)-1-hydroxy-3-(phosphonooxy)prop-1-en-1-yl]-3-{[(4z)-4-imino-2- methyl-4,5-dihydropyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium
+Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])\S)/C	TP9	(3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate
+c1ccc(cc1)[C@H]2C[C@@H]2[NH3+]	TPA	trans-2-phenylcyclopropylamine
+Cc1cc(c(c(c1)C)Nc2ccnc(n2)Nc3ccc(cc3)C#N)C	TPB	4-[4-(2,4,6-trimethyl-phenylamino)-pyrimidin-2-ylamino]-benzonitrile
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CSP(=O)(O)O)O	TPC	5'-thio-2'-deoxy-cytosine phosphonic acid
+c1cc(sc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N	TPD	n-(2-thienylmethyl)-2,5-thiophenedisulfonamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)OC(=O)C	TPE	3'-o-acetylthymidine-(5' diphosphate phenyl ester)
+c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O	TPF	2-(2,4-difluorophenyl)-1,3-di(1h-1,2,4-triazol-1-yl)propan-2-ol
+CN1CN(C2=C1C(=O)NC(=N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O	TPG	2,2,7-trimethyl-guanosine-5'-triphosphate-5'-guanosine
+c1ccc(cc1)C[C@@H](C(O)O)N	TPH	2-amino-3-phenyl-propane-1,1-diol group
+c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	TPI	4-carbamoyl-4-{[6-(difluoro-phosphono-methyl)-naphthalene-2-carbonyl]-amino}-butyric acid
+CC(C)(C)[C@H]1CC[C@H](N1)C(=O)O	TPJ	(5r)-5-tert-butyl-l-proline
+C1C[C@H](NC1)[C@H](CO)O	TPK	(1r)-1-[(2s)-pyrrolidin-2-yl]ethane-1,2-diol
+c1ccc2c(c1)c(c[nH]2)C[C@@H](CO)N	TPL	tryptophanol
+c1cc(ccc1CNC2=[NH+]CCCC2)N	TPM	2-(4-aminobenzylamino)-3,4,5,6-tetrahydropyridinium
+CC1=CN(C(=O)NC1=O)CC(=O)N(CC[NH3+])CC(=O)O	TPN	2-aminoethylglycine-carbonylmethylene-thymine
+C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O	TPO	phosphothreonine
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O	TPP	thiamine diphosphate
+C1=C(C(=O)C=C(C1=O)O)C[C@@H](C(=O)O)N	TPQ	5-(2-carboxy-2-aminoethyl)-2-hydroxy-1,4-benzoquinone
+Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O	TPR	tosyl-d-proline
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O	TPS	thiamin phosphate
+C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Pt+]2([N]5=C4C=CC=C5)Cl	TPT	2,2':6',2''-terpyridine platinum(ii) chloride
+Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O	TPU	2-{1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-methyl-1h-1,2,3-triazol-4-yl}ethyl trihydrogen diphosphate
+CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4	TPV	n-(3-{(1r)-1-[(6r)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2h-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)-2-pyridinesulfonamide
+Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C	TPW	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate
+CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc(cc1)C)C(=O)O	TPX	(2s,3s)-3-formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic acid
+CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)O	TPY	(2s,3s)-3-formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCS)OP(=O)(O)O	TPZ	o-phosphono-n-(5-sulfanylpentanoyl)-l-threonine
+c1cc([nH]c1)c2ccc3c(c2)N4C(=NNC4=O)C=C3CO	TQ1	5-(hydroxymethyl)-8-(1h-pyrrol-2-yl)-2h-[1,2,4]triazolo[4,3-a]quinolin-1-one
+Cc1ccc(cc1C)c2c3ccccc3nc(c2[C@@H](C(=O)O)OC(C)(C)C)C	TQ2	(2s)-tert-butoxy[4-(3,4-dimethylphenyl)-2-methylquinolin-3-yl]ethanoic acid
+c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N	TQ3	5-phenylsulfanyl-2,4-quinazolinediamine
+Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N	TQ4	5-[(4-methylphenyl)sulfanyl]-2,4-quinazolinediamine
+CC(C)(C)c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N	TQ5	5-[4-tert-butylphenylsulfanyl]-2,4-quinazolinediamine
+c1cc2c(c(c1)Sc3ccc(cc3)N4CCOCC4)c(nc(n2)N)N	TQ6	5-(4-morpholin-4-yl-phenylsulfanyl)-2,4-quinazolinediamine
+CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccc(s3)Br	TQ7	5-bromo-n-(diphenylmethyl)-n-methylthiophene-2-carboxamide
+Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl	TQ8	n-[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide
+C(CC(=O)O)C(=O)CCl	TQ9	5-chloro-4-oxopentanoic acid
+CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4ccccc4CN5Cc6ccccc6C5=O	TQA	n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]benzamide
+CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3ccccc3	TQB	7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one
+CN(CC1CCC2=C(C1)C(=N[C@@H](N2)N)N)c3cc(c(c(c3)OC)OC)OC	TQD	(2r,6s)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine
+CCOC1=NC(=NC(=O)N1)N(C)C	TQE	4-(dimethylamino)-6-ethoxy-1~{h}-1,3,5-triazin-2-one
+c1cc(cc(c1)OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O	TQG	n-[(3-carboxyphenoxy)acetyl]-l-glutamic acid
+Cc1ccc(o1)CNc2[nH]c(nn2)c3cccs3	TQH	~{n}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{h}-1,2,4-triazol-3-amine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NS(=O)(=O)c3ccc(c(c3)C(F)(F)F)Cl	TQI	n-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}-l-tryptophan
+c1cnc(nc1)CCC[C@@H](CS(=O)(=O)N2CCN(CC2)c3ccc(cn3)Br)N(C=O)O	TQJ	n-[(2s)-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-yl-pentan-2-yl]-n-hydroxy-methanamide
+Cc1cc(ccc1C=O)n2ccnc2c3ccccc3	TQK	2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde
+c1cc(cnc1)/C(=N\O)/c2ccc(cc2O)O	TQL	4-[(e)-n-oxidanyl-c-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol
+c1cc(cc(c1)F)c2ccc3c(c2)c(c(o3)C#Cc4cccs4)CC(=O)O	TQM	{5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid
+CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O	TQN	[(3~{r})-1-[[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-[[(2~{r},3~{r},4~{r},5~{s},6~{r})-3-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxymethyl]-5-oxidanyl-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-2-phosphonooxy-oxan-3-yl]amino]-1-oxidanylidene-tetradecan-3-yl] hexadecanoate
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O	TQP	(2r,3r,4s,5s,6r)-3,5-dihydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+[H]/N=C\1/C=Cc2c(c[nH]c2C1=O)C[C@@H](C(=O)O)N	TQQ	(s)-2-amino-3-(6,7-dihydro-6-imino-7-oxo-1h-indol-3-yl)propanoic acid
+Cc1c2c(on1)[C@H]3C[C@H]4CNC[C@]4([C@@H]2O)N3C	TQS	(4r,4ar,7as,9r)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
+C1CCC2C(C1)CCN2C[C@H]3CCC4C(C3)C(NC(N4)N)N	TQT	6-(octahydro-1h-indol-1-ylmethyl)decahydroquinazoline-2,4-diamine
+c1cc2c(cc1N)c(ccn2)n3cncn3	TQU	4-(1h-1,2,4-triazol-1-yl)quinolin-6-amine
+Cc1ccccc1OP(=O)(O)OCc2ccccc2O	TQV	o-cresyl-saligenin phosphate
+COc1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O	TQW	4-[(6-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde
+Cc1c(cc(c2c1CCCO2)F)c3c4ccccc4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C	TQX	(2s)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2h-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid
+CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	TQY	6-o-octanoyl-alpha-d-glucopyranose
+C([C@@H](C(=O)O)N)SSSSS	TQZ	2-amino-3-pentasulfanylpropan-1-ol
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4ccccc4)O	TR0	(4r)-n-(biphenyl-4-ylmethyl)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolinamide
+CC(C)[C@@H](C(=O)OC)NC(=O)CNC(=O)[C@H](CS)NCc1ccc(cc1)c2ccccc2	TR1	2-(2-{2-[(biphenyl-4-ylmethyl)-amino]-3-mercapto-pentanoylamino}-acetylamino)-3-methyl-butyric acid methyl ester
+c1cnc2ccsc2c1O	TR2	thieno[3,2-b]pyridin-7-ol
+CSc1c2ccc(cc2n(n1)c3ccccc3)NC(=O)C4CCNCC4	TR3	n-[3-(methylsulfanyl)-1-phenyl-1h-indazol-6-yl]piperidine-4-carboxamide
+CSc1c(c(n(n1)c2ccccc2)N)C#N	TR4	5-amino-3-(methylsulfanyl)-1-phenyl-1h-pyrazole-4-carbonitrile
+CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C(=N1)N	TR5	5-methyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine
+c1cc(c(cc1F)F)N2C=C(C(=O)c3c2nc(c(c3)F)N4C[C@@H]5[C@H](C4)C5N)C(=O)O	TR6	trovafloxacin
+COC(=O)[C@H](Cc1c[nH]c2c1cccc2)N	TR7	methyl l-tryptophanate
+[B-](C(CCO)NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(CCCCC3=CC=CC4C3CN(C4)C(=O)O2)(C)C)C(C)(C)C)(O)(O)O	TR8	(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1h,5h-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3h)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)
+CC1=C(C(=O)C[C@@H](C1=O)O)O	TR9	(5s)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione
+C(/C(=C\C(=O)[O-])/C(=O)[O-])C(=O)[O-]	TRA	aconitate ion
+C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C	TRB	4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione
+C(C(CC(=O)O)C(=O)O)C(=O)O	TRC	tricarballylic acid
+CCCCCCCCCCCCC	TRD	tridecane
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O	TRE	trehalose
+c1ccc2c(c1)c(cn2C=O)C[C@@H](C(=O)O)N	TRF	n1-formyl-tryptophan
+CN(C)CCCC[C@@H](C(=O)O)N	TRG	l-(n,n dimethyl)lysine
+C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O	TRH	2'-deoxy-thymidine-beta-l-rhamnose
+c1[nH]cnn1	TRI	1,2,4-triazole
+c1cc(cc(c1)CN)CN	TRJ	meta-di(aminomethyl)benzene
+C[C@H]1[C@H]2C(=O)C=C([C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C/3\C(=O)CNC3=O)/O)C)C	TRK	tirandamycin d
+CC[C@H](C=O)[C@@H]1[C@H](CCN1C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)NS(=O)(=O)C	TRL	{1-[2-(1-formyl-propyl)-3-methanesulfonylamino-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester
+c1ccc2c(c1)[nH]c(n2)C(=O)O	TRM	1h-benoximidazole-2-carboxylic acid
+c1cc2c(c[nH]c2nc1)C[C@@H](C(=O)O)N	TRN	nz2-tryptophan
+c1ccc2c(c1)c(c([nH]2)O)C[C@@H](C(=O)O)N	TRO	2-hydroxy-tryptophan
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N	TRP	tryptophan
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])[NH-]	TRP_LEO2	l-tryptophan c-terminal deprotonated fragment
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)[NH-]	TRP_LEO2H	l-tryptophan c-terminal protonated fragment
+c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)O)[NH-]	TRP_LEO2H_DHE1	l-tryptophan-c-terminal protonated fragment/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)[O-])[NH-]	TRP_LEO2_DHE1	l-tryptophan-c-terminal deprotonated fragment/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N	TRP_LFOH	l-tryptophan free neutral
+c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)O)N	TRP_LFOH_DHE1	l-tryptophan-free neutral/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])[NH3+]	TRP_LFZW	l-tryptophan free zwitterion
+c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)[O-])[NH3+]	TRP_LFZW_DHE1	l-tryptophan-free zwitterion/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[nH]2)C[C@@H]([C-]=O)[NH-]	TRP_LL	l-tryptophan - linking embedded fragment
+c1ccc2c(c1)c(c[n-]2)C[C@@H]([C-]=O)[NH-]	TRP_LL_DHE1	l-tryptophan-linking embedded fragment/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[nH]2)C[C@@H]([C-]=O)[NH3+]	TRP_LSN3	l-tryptophan n-terminal protonated fragment
+c1ccc2c(c1)c(c[n-]2)C[C@@H]([C-]=O)[NH3+]	TRP_LSN3_DHE1	l-tryptophan-n-terminal protonated fragment/with side chain deprotonated ne1
+c1c(c2c([nH]1)C(=O)C(=O)C=C2)C[C@@H](C(=O)O)N	TRQ	2-amino-3-(6,7-dioxo-6,7-dihydro-1h-indol-3-yl)-propionic acid
+COc1cc(cc(c1OC)OC)Cc2c[nH+]c(nc2N)N	TRR	2,4-diamino-5-(3,4,5-trimethoxy-benzyl)-pyrimidin-1-ium
+C(C(CO)(CO)[NH3+])O	TRS	2-amino-2-hydroxymethyl-propane-1,3-diol
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC	TRT	fragment of triton x-100
+c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl	TRU	6-chloro-3-(dichloromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O	TRV	6-o-octanoyl-beta-d-fructofuranose
+c1ccc(cc1)NNc2ccc3c(c[nH]c3c2O)C[C@@H](C=O)N	TRW	trw3-(2-amino-3-hydroxy-propyl)-6-(n'-cyclohexyl-hydrazino)octahydro-indol-7-ol
+c1cc2c(cc1O)[nH]cc2C[C@@H](C(=O)O)N	TRX	6-hydroxytryptophan
+c1ccc2c(c1)c(c[nH]2)/C=C(/C(=O)O)\N	TRY	(2z)-2-amino-3-(1h-indol-3-yl)prop-2-enoic acid
+Cc1cc2c(cc1C(=O)CCC(=O)O)[C@H]([C@@H](C2(C)C)C)C(C)C	TRZ	trazeolide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O)O	TS	thymidine-5'-thiophosphate
+C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@H]([C@@H](CO)O)O)O	TS0	4-{2,6,8-trioxo-9-[(2s,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}butyl dihydrogen phosphate
+C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O	TS1	4-{2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}butyl dihydrogen phosphate
+C1CCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNC1)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N	TS2	2-amino-4-[4-(4-amino-4-carboxy-butyrylamino)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaaza-cyclotetracos-23-ylcarbamoyl]-butyric acid
+C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N	TS3	bis[[5-glutamyl-cysteinyl-glycyl]-aminopropyl]amine
+C(CCNCCCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CC[C@H](C(=O)O)N)NC(=O)CC[C@H](C(=O)O)N)CN	TS4	glutathionylspermidine disulfide
+C(CCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CN	TS5	glutathionylspermidine
+OP(=O)(O)S	TS6	monothiophosphate
+CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)OC(=O)C)OC(=O)C)OC(=O)C	TS8	2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranose
+C[C@H]([C@](C)([C@@H](C(=O)O)N)O)O	TS9	(2s,3s,4r)-2-amino-3,4-dihydroxy-3-methylpentanoic acid
+C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O	TSA	8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid
+C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O	TSB	5'-o-(n-(l-threonyl)-sulfamoyl)adenosine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](N)O	TSC	(1s)-1-amino-2-(1h-indol-3-yl)ethanol
+[2H]C([2H])(C(=O)[O-])C([2H])([2H])[Si](C)(C)C	TSD	3-trimethylsilyl-propionate-2,2,3,3,-d4
+C(C(=O)O)P(=S)(O)O	TSE	thiophosphonoacetic acid
+C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CC(F)(F)P(=O)(O)O	TSF	3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) 1,1 difluoropentane-1-phosphate
+[H]/N=C\Cc1c[nH]c2c1cccc2	TSH	2-(1h-indol-3-yl)ethanimine
+C[C@H]([C@](C)(CN)O)O	TSI	(2s,3r)-1-amino-2-methylbutane-2,3-diol
+Cc1cc(cc(c1)C(F)(F)F)c2cc([nH]n2)NC(=O)c3ccc(cc3C)C(=O)O	TSJ	3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}carbamoyl)benzoic acid
+Cn1cc(c2c1cc(c(c2)F)I)C3=C(C(=O)NC3=O)c4coc5c4cccc5OC	TSK	3-(5-fluoro-6-iodo-1-methyl-1h-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1h-pyrrole-2,5-dione
+CC(C)([C@H](C(=O)O)N/C=C/C=O)[S@@](=O)O	TSL	trans-enamine intermediate of sulbactam
+CC(C)(C)S(=O)(=O)O	TSM	2-methylpropane-2-sulfonic acid
+C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C	TSN	trichostatin a
+C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O	TSO	(1r,3s,5s,8r)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)S	TSP	3'-thio-thymidine-5'-phosphate
+C[Si](C)(C)c1ccc(cc1)C[C@@H](C(=O)O)N	TSQ	4-(trimethylsilyl)-l-phenylalanine
+c1ccc2c(c1)c(c[nH]2)CC(=O)N	TSR	2-(1h-indol-3-yl)acetamide
+c1ccc2c(c1)c(c[nH]2)CCN	TSS	2-(1h-indol-3-yl)ethanamine
+Cc1ccc(cc1)S(=O)(=O)N2CCSC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)O	TST	4-methyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-pentanoic acid
+Cc1ccc(cc1)S(=O)(=O)O	TSU	para-toluene sulfonate
+CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6	TSV	(2r,6s,12z,13as,14ar,16as)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2h-isoindole-2-carboxylate
+CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)CC=C	TSX	n-[4-(1-allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-ylmethyl)-phenyl]-acetamide
+C([C@@H](C(=O)O)N)SSS	TSY	(2s)-2-amino-3-trisulfanylpropanoic acid
+C(=S)(N)NN	TSZ	hydrazinecarbothioamide
+C[C@@]12[C@H]3[C@H]4[C@@]1(C(=O)NC(=O)N4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)OCOC[C@@H]6[C@H](C[C@H](N3C(=O)NC2=O)O6)O)C	TT	[(1r,3r,4s,9r,10s,12r,15as,15br,18br,18cs)-10-hydroxy-15a,15b-dimethyl-13,15,16,18-tetraoxohexadecahydro-8h-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraazacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl dihydrogen phosphate
+c1ccc(cc1)Cn2c(nnc2SCc3ccccc3Cl)c4cccs4	TT1	4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4h-1,2,4-triazole
+C[C@@H](\C=C\C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	TT2	(1r,3r,7e,17beta)-17-{(1s,2e,5r)-5-hydroxy-1-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+c1ccc(cc1)n2c(nc(n2)N)N	TT4	1-phenyl-1h-1,2,4-triazole-3,5-diamine
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)OP(=O)(O)O)O	TT7	4-o-phosphono-beta-d-fructofuranose
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O	TT8	(2s)-2-azanyl-4-[[(2s,3s,4r,5r)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
+c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4	TTA	tetraphenyl-arsonium
+C/C(=C\c1ccc(cc1)C(=O)O)/c2ccc3c(c2)C(CCC3(C)C)(C)C	TTB	4-[(1e)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]benzoic acid
+CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5c(ccc(c5CN(C)C)O)nc4C3=C2)O	TTC	(s)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1h-pyrano[3',4':6,7]inolizino[1,2-b]-quinoline-3,14(4h,12h)-dione
+C[C@@]12[C@H]3[C@H]4[C@@]1(C(=O)NC(=O)N4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O[P@@](=O)(OC[C@@H]6[C@H](C[C@H](N3C(=O)NC2=O)O6)O)O)C	TTD	cis-syn cyclobutane thymine dimer
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O	TTE	phosphomethyl phosphonic acid deoxythymidylate ester
+c1cc(sc1)C(=O)CC(=O)C(F)(F)F	TTF	4,4,4-trifluoro-1-thien-2-ylbutane-1,3-dione
+CC[C@](C1=C(C(=O)N2Cc3cc4c(ccc(c4CN(C)C)O)nc3C2=C1)CO)(C(=O)O)O	TTG	2-(1-dimethylaminomethyl-2-hydroxy-8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-7-yl)-2-hydroxy-butyric acid
+C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	TTH	2,6,10,14-tetramethyl-hexadeca-2,6,10,14-tetraene
+C1[C@@H]([C@H](O[C@H]1N2CC(=[Te])C(=O)NC2=O)COP(=O)(O)O)O	TTI	2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)
+Cc1cc(cc(c1)c2cc([nH]n2)NC(=O)[C@H]3COCCO3)C	TTJ	(2r)-n-[3-(3,5-dimethylphenyl)-1h-pyrazol-5-yl]-1,4-dioxane-2-carboxamide
+c1ccc2c(c1)CC[C@@H]([C@H]2O)N	TTL	trans-(1s,2s)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
+CCN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C	TTM	n3-ethyl-thymidine-5'-monophosphate
+C(C(=O)[O-])(C(=O)[O-])O	TTN	tartronate
+c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O	TTO	(3,4-dihydroxy-phenyl)-triphenyl-arsonium
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	TTP	thymidine-5'-triphosphate
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N	TTQ	6-amino-7-hydroxy-l-tryptophan
+CC(=O)n1c2ccccc2c3c1C(=O)CCC3	TTR	9-acetyl-2,3,4,9-tetrahydro-1h-carbazol-1-one
+c1cc(ccc1CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N)O	TTS	3-((3e)-4-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]imino}-6-oxocyclohexa-1,4-dien-1-yl)alanine
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)N	TTT	5-amino-2-methyl-n-[(1r)-1-naphthalen-1-ylethyl]benzamide
+C([C@@H]1[C@H]([C@H]([C@](O1)(CO)O)O)O)O	TTV	beta-d-psicofuranose
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O	TTW	5'-o-[hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]thymidine
+C[C@H]1C(=O)N[C@H](C(=O)N(/C(=C\c2ccccc2)/C(=O)NCC(=O)N1C)C)CC(C)C	TTX	tentoxin
+c1c(c2c(o1)CCCC2=O)C(=O)O	TTY	4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)NC2=N[C@@H]3[C@H](S2)[C@H]([C@@H]([C@@]3(CO)O)O)O)O)O)O)O	TTZ	n-[(3as,4r,5s,6s,6as)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]thiazol-2-yl]-alpha-  d-glucopyranosylamine
+c1cc(c(cc1Br)/C=C/S(=O)(=O)O)O	TU0	(e)-2-(5-bromo-2-hydroxyphenyl)ethenesulfonic acid
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cc(ccc5F)F	TU1	4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide
+Cc1ccc(cc1O)c2ccc(c(n2)C(=O)c3cc(c(c(c3)OC)OC)OC)F	TU2	[3-fluoro-6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
+Cc1ccc(cc1O)c2cncc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC	TU3	[6-(3-hydroxy-4-methylphenyl)pyrazin-2-yl](3,4,5-trimethoxyphenyl)methanone
+CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O	TU4	3-o-octanoyl-alpha-d-glucopyranose
+c1ccc(cc1)[C@H]2CN(CCO2)C(=O)c3ccc(cc3Cl)Cl	TU7	(2,4-dichlorophenyl)[(2s)-2-phenylmorpholin-4-yl]methanone
+c1ccc2c(c1)CC[C@@]23C(=O)N(C(=O)N3)c4cc(cnc4)F	TU8	(3~{s})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
+C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O	TUA	prednisolone
+C[N@]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@H]6Cc7ccc(c(c7)O3)O)(C)C)OC	TUB	(1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium
+c1cc2cnccc2c(c1)OCC(=O)O	TUC	(isoquinolin-5-yloxy)acetic acid
+C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	TUD	taurochenodeoxycholic acid
+C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N	TUE	7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine
+C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	TUG	3,4-di-o-sulfo-alpha-d-altropyranose
+CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c3)ccn4C	TUH	5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1h-indol-5-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+c1ccnc(c1)Sc2cnc(s2)NC(=O)NCc3[nH]cc(n3)c4ccc(cc4)OCC(=O)O	TUI	2-(4-(2-((3-(5-(pyridin-2-ylthio)thiazol-2-yl)ureido)methyl)-1h-imidazol-4-yl)phenoxy)acetic acid
+C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	TUJ	1,2,3,4-tetra-o-sulfo-alpha-d-allopyranose
+CSCC[C@@H](C1N=C(C(=O)N1CC=O)Cc2c[nH]c3c2cccc3)N	TUK	2-[2-[(1~{s})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{h}-indol-3-ylmethyl)-5-oxidanylidene-2~{h}-imidazol-1-yl]ethanal
+C1=CNC(=S)NC1=O	TUL	2-thioxo-2,3-dihydropyrimidin-4(1h)-one
+CC(C)CCCCCCCCC=CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O	TUM	tunicamycin
+CCN(CC)[P@](=O)(O)OCC	TUN	ethyl hydrogen diethylamidophosphate
+c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O)(=O)N	TUO	2-(hydrazinocarbonyl)-3-phenyl-1h-indole-5-sulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)F)O)O	TUP	3-deoxy-3-fluoro-alpha-d-glucopyranose
+Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3cc(ccc3OC4CCNCC4)Cl	TUQ	4-(4-chloro-2-{5-[(trimethyl-1h-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@]2(CO)O)CO)O)O)O)O)O	TUR	3-o-alpha-d-glucopyranosyl-alpha-d-fructofuranose
+CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)CO	TUS	(4ar,4bs,5s,6as,6bs,9ar,10as,10bs)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2h-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one
+[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2cc(ccc2OC3CCNCC3)Cl	TUT	5-chloranyl-n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
+C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C	TUV	vamorolone
+CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)C#N)(c4ccc(cc4)Cl)OCC5(CC5)CO)O	TUW	6-[[(1~{r})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@@H]([C@H]1O)CO)CC(=O)NO	TUX	1,5-anhydro-2-c-(carboxymethyl-n-hydroxyamide)-2-deoxy-3-o-myristoyl-d-glucitol
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)[C@@H]([C@H](C(=O)O)O)O)O	TUY	(3s,5s,9r,20r,21r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)
+CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)C(=O)N)O	TUZ	1-[[(1~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide
+CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C)(O)O	TV1	n-{(1s)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide
+c1ccc2c(c1)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N	TV2	5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc(c(nc2)N)Br)F	TV4	n-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide
+CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)O)O	TV5	(3~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
+CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O	TV7	(1s)-n-{(1s)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)OC	TV8	(2~{r},3~{s},4~{r},5~{r})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
+CCC[C@@H](C(=O)O)NC[C@H]([C@H](Cc1cccs1)N)O	TVA	n-[(2r,3s)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-l-norvaline
+C[C@@H]1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C=O	TVB	4-[[(2~{r})-2-methyl-3,4-dihydro-2~{h}-quinolin-1-yl]sulfonyl]benzaldehyde
+c1ccc2cc(ccc2c1)c3cccc(c3)C(=O)O	TVC	3-naphthalen-2-ylbenzoic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C)CO)O)O	TVD	n-acetyl-2-(acetylamino)-2-deoxy-beta-d-glucopyranosylamine
+C[C@H]1[C@H]([C@@H](N=C1[C@H](C=O)[C@@H](C)O)C(=O)O)SC2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O	TVE	(2~{s},3~{r},4~{r})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-2-carboxylic acid
+CCCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O	TVG	propyl beta-d-galactofuranoside
+c1cc2c(c(c1)Cl)[C@@](N(C2=O)Cc3ccc(cc3)[N+](=O)[O-])(c4ccc(cc4)Cl)OCC5(CC5)CO	TVH	(3~{r})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one
+CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)CO)O	TVK	(3~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
+COc1cccc(c1)CO[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O)CO)O	TVM	3-o-[(3-methoxyphenyl)methyl]-beta-d-galactopyranose
+CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC	TVN	n-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-valyl-l-aspartamide
+C[C@H]1CCc2ccccc2N1C(=O)C	TVP	(2s)-1-acetyl-2-methyl-1,2,3,4-tetrahydroquinoline
+CS(=O)CCCN=C=S	TVQ	1-isothiocyanato-3-methylsulfinyl-propane
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O)O	TVS	prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-d-glucopyranoside
+Cc1c(cn(n1)C(C)(C)C#N)Nc2ncc(c(n2)NC)C(F)(F)F	TVT	2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1h-pyrazol-1-yl)propanenitrile
+CN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3)C1=O)c4ccc(c(c4)OC)OC	TVU	n-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide
+C#CCO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O)CO)O	TVV	3-o-prop-2-yn-1-yl-beta-d-galactopyranose
+c1c2c(ncnc2n[nH]1)N	TVW	1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc(cc1)[C@@H](CN)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	TVY	(1s)-2-amino-1-phenylethyl alpha-d-mannopyranoside
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N	TVZ	3-(4-aminocarbonylphenyl)benzoic acid
+Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N	TW2	4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)Cl	TW5	(r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide
+C([C@@H]1[C@H]([C@@H](C([C@H](O1)F)(F)F)O)O)O	TW7	2-deoxy-2,2-difluoro-alpha-d-arabino-hexopyranosyl fluoride
+c1ccc2c(c1)NCCN2S(=O)(=O)c3ccc(cc3)C=O	TW8	4-(3,4-dihydro-2~{h}-quinoxalin-1-ylsulfonyl)benzaldehyde
+C([C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	TWA	2,3,4-tri-o-sulfo-beta-d-altropyranose
+Cc1cc2c(cc1C)OC(=O)C=C2CP(=O)(O)O	TWB	[(6,7-dimethyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O	TWD	2,3-di-o-sulfo-alpha-l-glucopyranose
+c1cc(ccc1C=O)C(=O)N2CCC(CC2)C#N	TWE	1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S	TWG	6-thio-alpha-d-mannopyranose
+C[C@@H]1CCCN1c2c(c3c(ncnc3n2C)N)C#N	TWH	4-amino-7-methyl-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S)O)O)O)O	TWJ	1-thio-beta-d-talopyranose
+Cn1c(c(c2c1ncnc2N)C#N)c3cccc(c3F)F	TWK	4-amino-6-(2,3-difluorophenyl)-7-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCOC(=O)[C@@H]1CCc2c(cn[nH]2)C1	TWL	ethyl (5r)-4,5,6,7-tetrahydro-1h-indazole-5-carboxylate
+CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO	TWM	4-({3-[(dimethylamino)methyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide
+CCCCCCCCCCCC(=O)OCC[C@H](C)[C@H]1[C@H]([C@H](CO1)C)C	TWN	(3s)-3-[(2s,3s,4r)-3,4-dimethyltetrahydrofuran-2-yl]butyl laurate
+COc1ccc(cc1OC)C(=O)O	TWO	3,4-dimethoxybenzoic acid
+c1ccc2c(c1)ccn2Cc3ccc(cc3)C(=O)NO	TWP	n-hydroxy-4-[(1h-indol-1-yl)methyl]benzamide
+CO[C@H]1CCCN(C1)c2cc(ccc2N(=O)=O)C=O	TWQ	3-[(3~{s})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde
+c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO	TWS	n-hydroxy-4-{[3-(2-hydroxyethyl)-1h-indol-1-yl]methyl}benzamide
+CCCCCCCCCCCCCCCCCCCCCC	TWT	docosane
+CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO	TWV	4-({3-[2-(dimethylamino)ethyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide
+CCOC(=O)[C@@]1(N[C@@H](CS1)C(=O)O)CS	TWW	(2~{s},4~{r})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S	TWY	4-thio-beta-d-xylopyranose
+c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)OCCc1cn(nn1)CC(=O)O	TWZ	exostwz molecular tweezer 
+c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-]	TX1	2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(NCCS)O)O	TX2	5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
+Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl	TX3	2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate
+C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O	TX4	l-threonohydroxamate 4-phosphate
+C[C@H](CC#CC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C	TX5	(1r,3r)-5-((z)-2-((1r,7as)-hexahydro-1-((s)-6-hydroxy-6-methylhept-4-yn-2-yl)-7a-methyl-1h-inden-4(7ah)-ylidene)ethylidene)cyclohexane-1,3-diol
+Cc1nc2c(c(n1)OC)CC[C@@H]3[C@@]2(CC(=C([C@H]3C)O)C#N)C	TX6	(6as,7s,10as)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
+c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Br)Br)Br)[N+](=O)[O-]	TX7	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-bromobenzoate
+C[C@H]([C@@H](C(=O)O)NC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	TXA	threonylcarbamoyladenylate
+C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S	TXB	4-deoxy-4-thio-alpha-d-xylopyranose
+CC(C)[C@@H](C(=O)OCCOCn1cnc2c1N=C(NC2=O)N)N	TXC	2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy]ethyl l-valinate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N	TXD	1,4,5,6-tetrahydronicotinamide adenine dinucleotide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N	TXE	[[(2r,3s,4r,5r)-5-[(3r)-3-aminocarbonyl-3,4-dihydro-2h-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
+CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)\c2ccccc2)/c3ccc(cc3)O	TXF	(z)-4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hydroxy-2-phenylpent-1-enyl)phenol
+c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N3CCCC[C@@H]3C(=O)N[C@H](C(=O)N2)CCCCCC([C@@H]4CO4)(O)O)Cc5ccccc5	TXG	(3s,6s,9s,15ar)-6,9-dibenzyl-3-{6,6-dihydroxy-6-[(2s)-oxiran-2-yl]hexyl}octahydro-2h-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3h,12h)-tetrone
+CC(C)(CO)[C@H](C(=O)NCCC(=O)CCl)O	TXI	(2r)-n-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide
+CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O	TXL	taxotere
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)[C@H](C(C)C)C(=O)O	TXM	(2s)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)CO[P@](=O)(O)O[C@H]4CN(C[C@@H]4CO[P@](=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5OC)N6CN=C7C6=NC(=NC7=O)N)CO)Cc8c[nH]c9c8ncnc9N)O[P@@](=O)(O)OCCCO	TXN	(2r,3r,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[(s)-({(3r,4r)-4-({[(s)-{[(2r,3r,4r,5r)-5-(2-amino-6-oxo-6,8-dihydro-9h-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidin-3-yl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydrofuran-3-yl 3-hydroxypropyl hydrogen (s)-phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=C[C@@H](C5)C(=O)N)O)O)O)OP(=O)(O)O)N	TXP	1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphate
+c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O	TXQ	1,2,5,8-tetrahydroxyanthracene-9,10-dione
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CN3CCCC3)O	TXS	1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-l-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione
+C[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)N[C@H]5CC([C@@H]([C@H]([C@@H]5O)O)O)CO	TXT	4,6-dideoxy-4-{[(1s,2r,3r,4s,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-allopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose
+CCCc1cc2c(c(n1)C)C=CC(=O)N2	TXW	5-methyl-7-propyl-1,6-naphthyridin-2(1h)-one
+C1[C@@H](C(=CC=C1C[C@@H](C(=O)O)N)O)O	TXY	3-[(5s)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-l-alanine
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O	TXZ	o-phosphono-n-(6-sulfanylhexanoyl)-l-threonine
+CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)N	TY0	(3s)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one
+CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)O)N	TY1	o-tert-butyl-l-tyrosine
+c1cc(c(cc1C[C@@H](C(=O)O)N)N)O	TY2	3-amino-l-tyrosine
+c1cc(c(cc1C[C@@H](C(=O)O)N)O)O	TY3	3-hydroxy-l-tyrosine
+Cc1cc(cc(c1OC(=O)c2ccc(cc2Cl)Cl)CNC(=O)c3ccccc3Cl)Br	TY4	4-bromo-2-({[(2-chlorophenyl)carbonyl]amino}methyl)-6-methylphenyl 2,4-dichlorobenzoate
+c1ccc(cc1)COc2ccc(cc2)C[C@@H](C(=O)O)N	TY5	o-benzyl-l-tyrosine
+c1c(c(cc(c1O)OO)OO)C[C@@H](C(=O)O)N	TY8	2,4-bis(hydroperoxy)-5-hydroxy-l-phenylalanine
+c1c(cc(c(c1O)OO)OO)C[C@@H](C(=O)O)N	TY9	3,4-bis(hydroperoxy)-5-hydroxy-l-phenylalanine
+c1cc(ccc1C[C@@H](CO[P@@](=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O	TYA	phosphoric acid 2-amino-3-(4-hydroxy-phenyl)-propyl ester adenosin-5'yl ester
+c1cc(ccc1C[C@@H](C=O)N)O	TYB	tyrosinal
+c1cc(ccc1C[C@@H](C(=O)N)N)O	TYC	l-tyrosinamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O	TYD	thymidine-5'-diphosphate
+c1cc(ccc1C[C@@H](CO)N)O	TYE	4-[(2s)-2-amino-3-hydroxypropyl]phenol
+c1cc(ccc1C[C@@H](C(=O)O)O)O	TYF	(2s)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
+Cc1cccc2c1N=C(NC2=O)CSc3ccncc3	TYG	8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3h)-one
+c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N	TYI	3,5-diiodotyrosine
+CN[C@@H](Cc1cc(c(cc1O)O)O)C(=O)O	TYJ	2,5-dihydroxy-n-methyl-l-tyrosine
+CC[C@@H]1[C@H](\C=C(\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)/C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC	TYK	tylosin
+CC(=O)Nc1ccc(cc1)O	TYL	n-(4-hydroxyphenyl)acetamide (tylenol)
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N	TYM	tryptophanyl-5'amp
+c1cc(ccc1C[C@@H](C(=O)O)N)Oc2ccc(c3c2NON3)N	TYN	aminobenzofurazan-o-tyrosine
+C([C@@H](C(=O)O)N)C(=C\C=C\OO)C=CO	TYO	(4z,6e)-2-amino-7-hydroperoxy-4-[(e)-2-hydroxyvinyl]hepta-4,6-dienoic acid
+c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O	TYP	cyclo-(l-tyrosine-l-proline) inhibitor
+c1c(c(cc(c1N)O)O)C[C@@H](C(=O)O)N	TYQ	3-amino-6-hydroxy-tyrosine
+c1cc(ccc1C[C@@H](C(=O)O)N)O	TYR	tyrosine
+c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])O	TYR_LEO2	l-tyrosine c-terminal deprotonated fragment
+c1cc(ccc1C[C@@H](C(=O)O)[NH-])O	TYR_LEO2H	l-tyrosine c-terminal protonated fragment
+c1cc(ccc1C[C@@H](C(=O)O)[NH-])[O-]	TYR_LEO2H_DHH	l-tyrosine-c-terminal protonated fragment/with side chain deprotonated oh
+c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])[O-]	TYR_LEO2_DHH	l-tyrosine-c-terminal deprotonated fragment/with side chain deprotonated oh
+c1cc(ccc1C[C@@H](C(=O)O)N)O	TYR_LFOH	l-tyrosine free neutral
+c1cc(ccc1C[C@@H](C(=O)O)N)[O-]	TYR_LFOH_DHH	l-tyrosine-free neutral/with side chain deprotonated oh
+c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])O	TYR_LFZW	l-tyrosine free zwitterion
+c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])[O-]	TYR_LFZW_DHH	l-tyrosine-free zwitterion/with side chain deprotonated oh
+c1cc(ccc1C[C@@H]([C-]=O)[NH-])O	TYR_LL	l-tyrosine - linking embedded fragment
+c1cc(ccc1C[C@@H]([C-]=O)[NH-])[O-]	TYR_LL_DHH	l-tyrosine-linking embedded fragment/with side chain deprotonated oh
+c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O	TYR_LSN3	l-tyrosine n-terminal protonated fragment
+c1cc(ccc1C[C@@H]([C-]=O)[NH3+])[O-]	TYR_LSN3_DHH	l-tyrosine-n-terminal protonated fragment/with side chain deprotonated oh
+c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O	TYS	o-sulfo-l-tyrosine
+c1ccc(cc1)C2CC2/N=C/3\CC(C(=O)C=C3O)C[C@@H](C(=O)O)N	TYT	tyrosine derivative
+C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	TYU	tetrahydrouridine
+C[C@@H]1[C@H](C[C@@H]([C@H](O1)O)O)O	TYV	alpha-d-tyvelopyranose
+c1cc(ccc1C[C@@H](C(O)O)N)O	TYW	(2s)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol
+c1ccc(cc1)NC(=O)CSC[C@@H](C(=O)O)N	TYX	s-(2-anilino-2-oxoethyl)-l-cysteine
+C1=C(C(=O)C=C(C1=N)O)C[C@@H](C(=O)O)N	TYY	3-(4-hydroxy-3-imino-6-oxo-cyclohexa-1,4-dienyl)-alanine
+CC(=O)Nc1ccc(cc1)C(=O)O	TYZ	para acetamido benzoic acid
+COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@H]4CCN(C4)C(=O)C=C)N	TZ0	1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one
+c1cc(sc1)C(=O)Nc2nnc(s2)Sc3ccnc4c3ccc(c4)Cl	TZ1	n-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCN=[N+]=[N-]	TZ2	~{n}-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine
+c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N	TZ4	3,8-diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1,2,3-triazol-4-yl]hexyl]-phenanthridinium
+c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N	TZ5	3,8-diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1,2,3-triazol-5-yl]hexyl]-phenanthridinium
+Cc1cccc2c1N=C(NC2=O)CSC3CCC(CC3)O	TZ7	2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3h)-one
+CCCCCCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N	TZ8	(2~{r})-2-azanyl-5-[[(2~{r})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+C1=CC(C=CC1CC[C@@H](C(=O)O)N)N	TZA	trans-amiclenomycin
+C\C=C(\C1=N[C@H](CS1)C(=O)O)/N	TZB	(4s)-2-[(1e)-1-aminoprop-1-enyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+c1ncn(n1)C(=[NH2+])N	TZC	1,2,4-triazole-carboxamidine
+Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C	TZD	2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogen diphosphate
+Cc1c(scn1)CCO	TZE	2-(4-methyl-thiazol-5-yl)-ethanol
+c1cc(ccc1n2cncn2)O	TZF	4-(1h-1,2,4-triazol-1-yl)phenol
+c1c(c(cc(c1[N+](=O)[O-])Cl)C[C@@H](C(=O)O)N)CCC(=O)O	TZG	(s)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid
+Cc1ccc(c(c1)OC(=O)C2CCC2)[N+](=O)O	TZH	(5-methyl-2-nitro-phenyl) cyclobutanecarboxylate
+Cc1ccc(cc1)S(=O)(=O)N2CCOCC2	TZK	4-(4-methylphenyl)sulfonylmorpholine
+CC[C@@H](C)c1nccs1	TZL	2-(sec-butyl)thiazole
+c1cc(cc(c1)N)Cn2cncn2	TZM	3-(1h-1,2,4-triazol-1-ylmethyl)aniline
+COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)[C@H]4CCCO4	TZN	[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2r)-tetrahydrofuran-2-yl]methanone
+c1c(ncs1)C(=O)O	TZO	1,3-thiazole-4-carboxylic acid
+Cc1c(scn1)CCOP(=O)(O)O	TZP	4-methyl-5-hydroxyethylthiazole phosphate
+c1cc(c(cc1OCc2ccc(o2)C(=O)O)Cl)F	TZQ	5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid
+COC1=C(Cc2c(c(ncn2)N3CCC(CC3)CNS(=O)(=O)N)C1)OC	TZS	n-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide
+CC[C@@H](C)[C@@H]([C@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C)C(=O)NCCc2ccccc2)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C	TZT	soblidotin
+COc1ccc2c(ccnc2c1)Oc3ccc(cc3)NS(=O)(=O)N	TZV	n-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide
+c1cc(c(cc1C=O)N2CCC(CC2)O)N(=O)=O	TZW	4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde
+CC(C)c1nnc2n1cc(cc2)c3c(nco3)c4ccc(cc4)F	TZY	6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-3-isopropyl[1,2,4]triazolo[4,3-a]pyridine
+COP(=O)(OC)OC	TZZ	trimethyl phosphate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U	uridine-5'-monophosphate
+CC(C)[C@@H](c1ccc(cc1)Br)C2=C(c3ccccc3OC2=O)O	U01	3-[1-(4-bromo-phenyl)-2-methyl-propyl]-4-hydroxy-chromen-2-one
+CC[C@H](Cc1ccccc1)C2=CC(=C(C(=O)O2)[C@H](c3cccc(c3)NC(=O)CCNC(=O)OC(C)(C)C)C4C=C4)O	U02	[2-(3-{[6-(1-benzyl-propyl)-4-hydroxy-2-oxo-2h-pyran-3-yl]-cyclopropyl-methyl}-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester
+CCC(c1ccccc1)C2=C(c3ccc(cc3OC2=O)OC)O	U03	4-hydroxy-7-methoxy-3-(1-phenyl-propyl)-chromen-2-one
+CC[C@@H](c1cccc(c1)NC(=O)CNC(=O)OC(C)(C)C)C2=C(c3ccccc3OC2=O)O	U04	({3-[1-(4-hydroxy-2-oxo-2h-chromen-3-yl)-propyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester
+CCN1c2cc(ccc2N(C(=O)c3c1nccc3)C)[N+](=O)[O-]	U05	6,11-dihydro-11-ethyl-6-methyl-9-nitro-5h-pyrido[2,3-b][1,5]benzodiazepin-5-one
+CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O	U06	4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid
+c1ccc(cc1)C2=C(C(=O)C(=C([C@H]2O)O)c3ccccc3)O	U07	(2~5~s)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~h)-one
+c1cc(n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)C#N	U08	(2~{r},3~{r},4~{s},5~{r})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile
+c1ccc2c(c1)C(=O)Nc3cc(ccc3S2)C(=O)NCCc4ccc(cc4)S(=O)(=O)N	U0A	11-oxo-n-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
+Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCN(CC4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C	U0D	4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-5-yl)-n-(3,5-dimethylphenyl)pyrimidin-2-amine
+CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N	U0E	n-[[1-[n-acetamidyl]-[1-cyclohexylmethyl-2-hydroxy-4-isopropyl]-but-4-yl]-carbonyl]-glutaminyl-arginyl-amide
+COc1cc(c(cc1C#N)OC)CCNCc2ccccc2O	U0G	4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile
+Cc1c(cccc1OC)C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C	U0H	~{n}-~{tert}-butyl-2-methoxy-~{n}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide
+CN1C=CN([C]1[Ru](Cl)Cl)Cc2c3ccccc3cc4c2cccc4	U0J	{(2r)-1-[(anthracen-9-yl)methyl]-3-methyl-2,3-dihydro-1h-imidazol-2-yl}(dichloro)ruthenium
+Cc1c(cnn1[C@@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N	U0K	4-amino-7-methyl-2-({5-methyl-1-[(3r)-oxolan-3-yl]-1h-pyrazol-4-yl}amino)-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1nnc(s1)CN2CCC=C(C2)F	U0M	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine
+Cc1c(cn(n1)C)Nc2nc(c3c(c(n(c3n2)C)N4CCC[C@H]4C)C#N)N	U0N	4-amino-2-[(1,3-dimethyl-1h-pyrazol-4-yl)amino]-7-methyl-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1cc(no1)CN(C)C(=O)NC2CC2	U0P	n'-cyclopropyl-n-methyl-n-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
+C[C@@H]1CCCN1c2c(c3c(nc(nc3n2C)Nc4cnn(c4)C)N)C#N	U0Q	4-amino-7-methyl-2-[(1-methyl-1h-pyrazol-4-yl)amino]-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1cnc(cn1)N2CC[C@@]3(C2)CCOC3	U0S	(5s)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
+Cc1c(cnn1[C@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N	U0T	4-amino-7-methyl-2-({5-methyl-1-[(3s)-oxolan-3-yl]-1h-pyrazol-4-yl}amino)-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1ccc(c(c1)C(=O)NCCc2ccncc2)F	U0V	2-fluoro-n-[2-(pyridin-4-yl)ethyl]benzamide
+c1cc2c(cc1OCc3ccc(o3)C(=O)O)CCC2	U0W	5-[(2,3-dihydro-1h-inden-5-yloxy)methyl]-2-furoic acid
+Cc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C	U0Y	1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one
+[H]/N=C/1\N2CCCc3c2c(ccc3)S1	U0Z	5,6-dihydro-2-imino-2h,4h-thiazolo(5,4,3-ij)quinoline
+[U]	U1	uranium atom
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	U10	ubiquinone-10
+C[C@@H](C(=O)NCC(=O)OC)NC(=O)[C@H]([C@@H](c1ccc(cc1)C(F)(F)F)N)O	U11	methyl n-{(2s,3r)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl}alanylglycinate
+c1cc(cc(c1)/N=N/C2=C(N=NC2=N)N)C(F)(F)F	U12	5-imino-4-(3-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine
+[H]/N=C/1\C(=C(N=N1)N)/N=N/c2ccc(cc2)F	U13	4-(4-fluoro-phenylazo)-5-imino-5h-pyrazol-3-ylamine
+[H]/N=C\1/C(=C(N=N1)N)/N=N/c2cccc(c2)C(=O)O	U14	3-(5-amino-3-imino-3h-pyrazol-4-ylazo)-benzoic acid
+Cc1ccc(cc1)[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)OC)O)N	U15	methyl n-[(2s,3r)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]-d-alanyl-d-leucinate
+CC(C)C[C@H](C(=O)OC)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](c1ccc(cc1)C(C)C)N)O	U16	methyl n-[(2s,3r)-3-amino-2-hydroxy-3-(4-isopropylphenyl)propanoyl]-d-alanyl-d-leucinate
+CCCC[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC)O)N	U17	methyl n-[(2s,3r)-3-amino-2-hydroxyheptanoyl]-l-seryl-l-leucinate
+CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O	U18	(s)-2-(5-(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid
+[H]/N=C\1/C(=C(N=N1)N)/N=N/c2ccccc2C(F)(F)F	U19	5-imino-4-(2-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine
+Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)C	U1A	1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1cc(c(cc1C=O)N2CCC[C@@H](C2)O)N(=O)=O	U1B	4-nitro-3-[(3s)-3-oxidanylpiperidin-1-yl]benzaldehyde
+CC(=O)NNC(=O)c1cc2c(s1)CCCC2	U1D	n'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
+CN(C)c1cccc2c1c(ccc2)N(C)C	U1E	~{n}1,~{n}1,~{n}8,~{n}8-tetramethylnaphthalene-1,8-diamine
+CC(=O)N1CCN(CC1)C(=O)c2ccco2	U1G	1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one
+CC(C)(C)c1c(c(ns1)[O-])C[C@@H](C(=O)O)[NH3+]	U1K	(s)-2-amino-3-(3-hydroxy-5-tert-butylisothiazol-4-yl) proprionic acid
+Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)C(=O)C	U1M	1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+C[C@H](CCc1ccc(cc1)C(=O)N)NCC(=O)c2ccc(cc2)F	U1N	4-[(3r)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}butyl]benzamide
+[H]/N=C/C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U1P	6-[(e)-iminomethyl]uridine 5'-phosphate
+c1cc(ncc1F)N	U1Q	5-fluoranylpyridin-2-amine
+CCOC(=O)C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	U1S	1-{5-deoxy-5-[4-(ethoxycarbonyl)piperidin-1-yl]-alpha-l-arabinofuranosyl}pyrimidine-2,4(1h,3h)-dione
+Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCCC4	U1T	5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2h)-one
+Cc1cc(ccc1CS(=O)(=O)N)F	U1V	1-(4-fluoro-2-methylphenyl)methanesulfonamide
+[H]/N=C\1/N2CCCc3c2c(ccc3)N1CC	U1W	3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS)O)O)O	U1Y	methyl 6-thio-beta-d-glucopyranoside
+Cn1cc(cn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C	U1Z	4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile
+CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O	U20	uridine-5'-diphosphate-3-o-(r-3-hydroxymyristoyl)-n-acetyl-d-glucosamine
+CCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O	U21	uridine-5'-diphosphate-3-o-(r-3-hydroxydecanoyl)-n-acetyl-d-glucosamine
+CCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O	U22	uridine-5'-diphosphate-3-n-(r-3-hydroxylauroyl)-n-acetyl-d-glucosamine
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O3)O	U23	uridine-5'-monophosphate-2',3'-cyclic phosphate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U25	uridine-5'-monophosphate
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@H](C3)Oc4nnc(s4)NC(=O)Cc5ccccc5	U27	2-phenyl-n-{5-[(3r)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+CCC1(CCN(CC1)Cc2cccc(c2)Cl)C(=O)/C=C(/C(=O)OC)\O	U28	methyl (z)-4-(1-(3-chlorobenzyl)-4-ethylpiperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S	U2A	methyl 2-thio-beta-d-glucopyranoside
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	U2D	6-o-decanoyl-alpha-d-glucopyranose
+CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCNCC3)C(=O)C	U2E	methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O	U2F	uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-d-glucose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N	U2G	uridylyl-2'-5'-phospho-guanosine
+CNC(=O)c1csc(n1)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C	U2J	(4s)-1-methyl-n-{(3s,5s)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide
+Cc1c(c2n(n1)CCO2)c3cn(c4c3cccc4)C(=O)C	U2K	1-[3-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OCCOC)O	U2L	5-methyl-3'-o-methoxyethyl uridine-5'-monophosphate
+C(CC[C@@H](C(=O)O)N)CCS	U2M	(2s)-2-amino-7-sulfanylheptanoic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N	U2N	2'-amino-2'-deoxyuridine 5'-(dihydrogen phosphate)
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O	U2P	phosphoric acid mono-[2-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl] ester
+c1cc(c(nc1)SCC(=O)O)[N+](=O)[O-]	U2Q	2-[(3-nitro-2-pyridyl)thio]acetic acid
+C1COCCN1C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	U2S	1-(5-deoxy-5-morpholin-4-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+CC(C)(C)c1ccc(cc1)c2nc(on2)C(=O)NN	U2T	3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide
+c1cc(ccc1NC(=O)NCCCCC(=O)NO)S(=O)(=O)N2CCN(CC2)c3cc(cc(c3)Cl)C(F)(F)F	U2V	5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-n-hydroxypentanamide
+C1(=C(C(=NNC1=O)N(=O)=O)Cl)Cl	U2W	4,5-bis(chloranyl)-3-nitro-1~{h}-pyridazin-6-one
+c1cc(ccc1C[C@@H](C(=O)O)N)OCC2CCCCC2	U2X	o-(cyclohexylmethyl)-l-tyrosine
+B(c1ccc(cc1)C(=O)N(C)CC)(O)O	U2Y	{4-[ethyl(methyl)carbamoyl]phenyl}boronic acid
+Cc1cc(nn1c2ccccc2CN)CO	U2Z	[1-[2-(aminomethyl)phenyl]-5-methyl-pyrazol-3-yl]methanol
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCCN	U31	2'-o-3-aminopropyl 2'-deoxyuridine-5'-monophosphate
+CC(C)c1cnc(s1)Nc2ccc(cc2)S(=O)(=O)N	U32	4-[(5-isopropyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)O	U33	5-bromo-2'-deoxy uridine
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CC(O)P(=O)(O)O)O)O	U34	uridine 5'-monomethylphosphate
+CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)[C@@H](C(C)C)C(=O)O	U35	(2~{s})-3-methyl-2-[pentanoyl-[[4-[2-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
+COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	U36	2'-o-methyoxyethyl-uridine-5'-monophosphate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)O)O	U37	uridine 5'-monothiophosphate
+COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3C(F)(F)F)O	U3A	5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide
+CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	U3D	[(2r)-3-[(z)-icos-11-enoyl]oxy-2-[(z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
+CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	U3G	(2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9z)-octadec-9-enoyl]oxy}propyl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2O)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	U3H	3'-deoxy-uridine 5'-triphosphate
+c1nc2c(n1[C@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O	U3J	xanthosine diphosphate
+Cc1ccc(o1)CN(C)Cc2ccccc2	U3K	~{n}-methyl-~{n}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine
+c1cc2ccc(cc2nc1)c3cc(cc(c3)C(=O)O)c4ccc5c(c4)cccn5	U3M	3-quinolin-6-yl-5-quinolin-7-yl-benzoic acid
+c1cc(ccc1NC(=[Se])Nc2ccc(cc2)S(=O)(=O)N)F	U3N	1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O	U3P	3'-uridinemonophosphate
+c1ccc2c(c1)cccc2CCCCC(=O)O	U3Q	1-naphthalenepentanoic acid
+C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	U3S	1-(5-deoxy-5-piperidin-1-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+C#CCOc1ccccc1CCCCCC(=O)O	U3T	6-(2-prop-2-ynoxyphenyl)hexanoic acid
+CC(C)(C)c1cc(n(n1)C)C(=O)N2CCC(CC2)C[C@@H](C(=O)NC)NC(=O)[C@@H]3CCCC(=O)N3	U3V	(2s)-n-[(2s)-3-[1-(3-tert-butyl-1-methyl-1h-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
+CN1C(=O)N(C(=O)S1)Cc2ccccc2	U3W	2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione
+c1cc(ccc1C[C@@H](C(=O)O)N)NCC2CCCCC2	U3X	4-[(cyclohexylmethyl)amino]-l-phenylalanine
+CNC(=O)c1csc(n1)[C@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C	U3Y	(4s)-1-methyl-n-{(3s,5r)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide
+CC(C)(c1ccc2c(c1)C(=O)N([C@]2(c3ccc(cc3)Cl)OCC4(CC4)CO)Cc5ccc(cc5)C#C)O	U3Z	(3~{r})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
+C[C@H](C(=O)Nc1ccc(cc1)F)C23CC(C2)(C3)NC(=O)c4cccc(c4)Cl	U41	3-chloro-n-(3-{(2s)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide
+CC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O	U44	(2r)-2-hydroxy-3,3-dimethyl-n-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
+CCCCC[C@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)CO2)O	U46	(5e)-7-{6-[(1e)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid
+CC1=CN(C(=O)[NH+]=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	U48	5-methyl-2'-deoxy-n3-protonated cytidine-5'-monophosphate
+c1cc2ccc3cc2c(c1)N4CCC(C4=O)NCc5cncn5Cc6ccc(c(c6)O3)C#N	U49	(20s)-19,20,21,22-tetrahydro-19-oxo-5h-18,20-ethano-12,14-etheno-6,10-metheno-18h-benz[d]imidazo[4,3-k][1,6,9,12]oxatri aza-cyclooctadecosine-9-carbonitrile
+c1cnc(c(c1C(=O)O)F)C(=O)O	U4B	3-fluoranylpyridine-2,4-dicarboxylic acid
+[H]/N=C(\N)/NCCCCCCCC	U4G	n-octylguanidine
+COc1ccc(cc1)c2cccc(c2)C(=O)O	U4J	3-(4-methoxyphenyl)benzoic acid
+c1ccc2c(c1)ccnc2SCC(=O)O	U4K	2-isoquinolin-1-ylsulfanylethanoic acid
+C[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O	U4M	1-{2,5-dideoxy-2-fluoro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}pyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)c(ccc2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)NS(=O)(=O)CC(F)(F)F	U4N	2,2,2-tris(fluoranyl)-~{n}-[4-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide
+C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O	U4P	5'-deoxyuridine
+c1c(c(cnc1C(=O)O)F)C(=O)O	U4Q	5-fluoranylpyridine-2,4-dicarboxylic acid
+C1CCN(C1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	U4S	1-(5-deoxy-5-pyrrolidin-1-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc-2c(c1)CCc3c2sc(c3)C(=O)O	U4T	4h,5h-naphtho[1,2-b]thiophene-2-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNc4ccc(cc4)S(=O)(=O)N	U4V	3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1h-1,2,3-triazol-1-yl)thymidine
+CN1CCN(CC1)c2ccc(c(c2)NC3CCC(CC3)O)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	U4W	n-[5-(3,5-difluorobenzyl)-1h-indazol-3-yl]-2-[(4-hydroxycyclohexyl)amino]-4-(4-methylpiperazin-1-yl) benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)NC(=O)/C=C/C4C=CC(C=C4)O)O)O)N	U4Y	(2s)-4-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2e)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid
+CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2	U51	(5z)-7-{(1r,4s,5r,6r)-6-[(1e)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid
+C[C@@H]1C[C@@H](CN(C1)c2ncc(c(n2)Nc3ccc4c(c3)C=C(C(=O)N4C)OCC(=O)NC)Cl)C	U52	2-[6-[[5-chloranyl-2-[(3~{s},5~{r})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{n}-methyl-ethanamide
+CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OC	U53	ethyl 4-(2-cyanoethylsulfanyl)-6-methoxy-quinoline-3-carboxylate
+c1cc(ccc1Nc2cc(ncn2)N)S(=O)(=O)N	U55	4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide
+CCCC[C@](C)(CO)Nc1c2c(cc(cn2)F)nc(n1)N	U57	(2r)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
+c1ccc2c(c1)c(ncn2)SCCC(=O)O	U58	3-(quinazolin-4-ylsulfanyl)propanoic acid
+[H]/N=C\1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)CCC3)COC(=O)N	U5A	[(2z,3as,4r,6z,10ar)-2,6-diiminooctahydro-1h,8h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
+c1cc2c3c(ccc(c3c1)SCC(=O)O)CC2	U5B	2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid
+CNC(=O)c1cc2c(s1)-c3ccccc3CC2	U5E	n-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	U5F	5'-o-[(r)-hydroxy{[(s)-hydroxy{[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC3CCC3)[C@H](C(=O)N)O)C	U5G	boceprevir (bound form)
+CN1[C@@H](CCC1=O)c2cccnc2	U5H	(5~{s})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
+CO[C@H](CNC(=O)c1ccccc1OCC(=O)O)C[Hg]O	U5J	[(2r)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury
+C[C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)OP(=O)(O)O	U5M	1-(2,6-dideoxy-2-fluoro-5-o-phosphono-alpha-l-talofuranosyl)pyrimidine-2,4(1h,3h)-dione
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U5P	uridine-5'-monophosphate
+C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)OP(=O)(O)O	U5R	1-(2,6-dideoxy-2-fluoro-5-o-phosphono-beta-d-allofuranosyl)pyrimidine-2,4(1h,3h)-dione
+Cc1ccc(cc1C)C2=N/C(=C/c3cnn(c3)C)/C(=O)O2	U5T	(4~{e})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
+c1ccc(c(c1)CN)F	U5V	1-(2-fluorophenyl)methanamine
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC=C2C4(CC4)CCCC(C)(C)O	U5W	1,25-dihydroxy-16-ene-20-cyclopropyl-vitamin d3
+c1ccc(cc1)[C@H]2CCCN2C(=O)C[C@H]3C(=O)N[C@@H](Cc4ccc(cc4)Oc5cccc(c5)CCC(=O)N3)C(=O)NCc6ccccc6F	U5Y	(12s,15s)-n-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2r)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide
+c1cc(ccc1NNC(=S)N)F	U5Z	1-[(4-fluorophenyl)amino]thiourea
+c1ccc(cc1)c2cn(nn2)[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)Cn4cc(nn4)c5ccc(cc5)F)O	U61	2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-4-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-l-manno-heptitol
+c1ccc2c(c1)-c3c(cc(s3)C(=O)O)CO2	U62	4~{h}-thieno[3,2-c]chromene-2-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O	U63	2-deoxy-2-fluoro-4-o-beta-d-glucopyranosyl-beta-d-glucopyranose
+C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)C(=O)N3CCOCC3)c4cc(ccc4F)/C=C(/c5ccc(cn5)C#N)\F	U64	6-[(z)-2-{3-[(1s,5s,6s)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile
+COC(=O)c1cc2c(s1)-c3ccccc3OC2	U65	methyl 3~{a},4-dihydro-3~{h}-thieno[3,2-c]chromene-2-carboxylate
+c1cc2ccc3cc2c(c1)N4CC[C@@H](C4=O)NCCc5cncn5CC6=CCC(C(C6)O3)C#N	U66	(20s)-19,20,22,23-tetrahydro-19-oxo-5h,21h-18,20-ethano-12,14-etheno-6,10-methenobenz[d]imidazo[4,3-l][1,6,9,13]oxatria zacyclonoadecosine-9-carbonitrile
+CC(C)CCCN	U67	4-methylpentan-1-amine
+CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)N(O)O	U68	(4-nitrophenyl) (2~{s})-2-(6-methoxynaphthalen-2-yl)propanoate
+C[C@H]([C@@H](C(=O)O)NC(=O)O)O	U6A	n-carboxy-l-threonine
+[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)C3(CCOCC3)N	U6B	4-azanyl-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]oxane-4-carboxamide
+C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)OCCN5CC(C5)CF)F	U6D	(1r,3r)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1h-beta-carboline
+Cc1csc(n1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)Cl	U6E	4-(6-azanyl-2-chloranyl-purin-9-yl)-~{n}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
+c1cc(cc(c1)Cl)C(=O)N2CCCc3c2ccc(c3)CNC(=O)c4ccc(cc4)Cl	U6G	4-chloro-n-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide
+COc1cccc(c1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)c5ccncc5	U6H	4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{n}-(3-methoxyphenyl)cyclohexane-1-carboxamide
+[C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	U6J	(1r,2r,3s,4r,5r,6s)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+c1cc2ccc(cc2nc1)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=C[C@@H]5[C@H]4NC=NC5N)O)O	U6K	(2~{r},3~{r},4~{s},5~{r})-2-[(4~{a}~{s},7~{a}~{s})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol
+CC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U6M	6-methyluridine 5'-(dihydrogen phosphate)
+CCc1c(c2c(ncnc2n1CC#CC)N[C@H](Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl	U6N	(2~{r})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
+CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl	U6Q	(2~{r})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
+c1cc(ccc1NC(=O)C2CCC(CC2)n3cnc4c3ncnc4N)S(=O)(=O)C(F)(F)F	U6T	4-(6-aminopurin-9-yl)-~{n}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide
+c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc(cc3)F	U6V	n~2~-(3-aminopropyl)-n-[(4-fluorophenyl)methyl]-n~2~-(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide
+c1cc(oc1/C=N/N2CC(=O)NC2=O)N(=O)=O	U6Z	1-[(~{e})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
+[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	U71	(1s,2r,3s,4s,5s,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+[H]/N=C/1\N(Cc2cccc3c2N1CCC3)C	U72	2-methyl-1,2,6,7-tetrahydro-3h,5h-pyrido[3,2,1-ij]quinazolin-3-imine
+CC(C)C1=CN/C(=N/C(=O)Cc2cccnc2)/S1	U73	n-(5-isopropyl-thiazol-2-yl)-2-pyridin-3-yl-acetamide
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc(cc3)C(=O)O	U75	4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid
+c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3	U77	n-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-n-(2-phenylethyl)-beta-alanine
+Cc1ccccc1CCNC(=O)C	U78	~{n}-[2-(2-methylphenyl)ethyl]ethanamide
+c1ccc(cc1)CCN(CCC#N)CC(=O)N(CCc2ccccc2)CCc3ccc(cc3)S(=O)(=O)N	U7A	n~2~-(2-cyanoethyl)-n,n~2~-bis(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)O)O)(F)F	U7B	2'-deoxy-2'2'-difluorodeoxycytidine
+c1cc(cc(c1)S(=O)(=O)N)c2[nH]nnn2	U7E	5-(3-sulfamoylphenyl)-1h-1,2,3,4-tetrazol-1-ide
+c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3	U7G	n~2~-(3-aminopropyl)-n-[(furan-2-yl)methyl]-n~2~-(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide
+Cc1c(cn(n1)C[C@@](C)(C(=O)N2CCN(CC2)c3cccc4c3ccnc4)O)c5ccccc5	U7H	2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-1h-pyrazol-1-yl)propan-1-one
+c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc4ccccc4c3	U7J	n-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-n-(2-phenylethyl)-beta-alanine
+C[C@](C/N=C/1\N2CCCc3c2c(ccc3)S1)(C(=O)N4CCN(CC4)c5cccc6c5ccnc6)O	U7K	(e)-3-((5,6-dihydro-2h,4h-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C	U7P	(8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one
+c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F	U7Q	~{n}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
+Cc1c(sc(c1Br)C(=C)F)CNCCCNC2=CC(=O)c3ccccc3N2	U7S	2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1h)-one
+c1cn2cnc3c(c2n1)NC(=O)N3[C@H]4C[C@@H]([C@H](O4)COP(O)O)O	U7T	[(2~{r},3~{s},5~{r})-3-oxidanyl-5-(2-oxidanylidene-1~{h}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite
+Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO	U7V	tedizolid
+C[C@H]1c2ccsc2CCN1C(=O)Cn3c4ccccc4nn3	U7W	2-(benzotriazol-1-yl)-1-[(4~{s})-4-methyl-6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-yl]ethanone
+Cn1c(nnn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO	U7Y	tedizolid isomer
+c1ccc(c(c1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)Cl	U7Z	4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide
+c1csc2c1NC(=CC2=O)NCCCN[C@@H]3CCOc4c3cc(cc4Br)Br	U81	5-[(3-{[(4r)-6,8-dibromo-3,4-dihydro-2h-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(6h)-one
+CC(C)(C)c1ccc(cc1)c2coc3c2nc(cc3)c4c[nH]nc4	U82	3-(4-tert-butylphenyl)-5-(1h-pyrazol-4-yl)furo[3,2-b]pyridine
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccc(cc3)Cn4cnc(c-5ncnc45)N	U85	1-((4'-((6-amino-3h-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium
+c1cc(c(c2c1[C@H](CNC2)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Cl)Cl	U87	5'-([(3s)-3-amino-3-carboxypropyl]{3-[(4r)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine
+c1c(scn1)N(=O)=O	U88	5-nitro-1,3-thiazole
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CCCC2=C(N=C(NC2=O)N)N)C(=O)CSCC(=O)NCCCCOP(=O)(O)O	U89	n-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)-propyl]-[2-((2-oxo-2-((4-phosphoriboxy)-butyl)-amino)-ethyl)-thio-acetyl]-amino]benzoyl]-1-glutamic acid
+c1ccc(cc1)C[C@]2(C(=O)N[C@](C(=O)N2)(CO)S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	U8B	(2~{s})-2-azanyl-5-[[(2~{r})-3-[(2~{r},5~{r})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+CCc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N	U8D	(3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1h-indol-5-yl]oxy}propyl)phosphonic acid
+CC(C)(C)OC(=O)NC(CC1=C[N](=C(N1C)[Rh])C)C(=O)OC	U8G	(4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1h-imidazol-2-yl)rhodium
+CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C(=O)NC	U8J	n-methyl-4-{[4-(1-propyl-1h-pyrazol-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide
+c1ccc(cc1)S(=O)(=O)Nc2cccnc2C(=O)O	U8K	3-(phenylsulfonylamino)pyridine-2-carboxylic acid
+c1cc(c(c(c1)F)F)N=Nc2ccc(nc2N)N	U8M	3-[(z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine
+c1ccc2c(c1)C(=CNC2=O)O	U8N	4-oxidanyl-2~{h}-isoquinolin-1-one
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C(=O)OC(C)(C)C	U8P	tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1h-pyrazol-4-yl}-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate
+c1cc(ccc1C(F)(F)F)OC2CCNCC2	U8Q	4-[4-(trifluoromethyl)phenoxy]piperidine
+c1cc2c(cc1Br)C(=O)CC3(O2)CCNCC3	U8T	6-bromanylspiro[3~{h}-chromene-2,4'-piperidine]-4-one
+CNCC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U8U	5-methylaminomethyl-2-thiouridine-5'-monophosphate
+CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	U8V	6-o-butanoyl-alpha-d-glucopyranose
+C([C@H]([C@H]([C@@H](C(COP(=O)(O)O)O)O)O)O)S(=O)(=O)O	U8W	(2~{s},3~{s},4~{r})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid
+C(/C(=C\OP(=O)(O)O)/O)O	U8Z	[(~{e})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate
+Cc1c(c(nn1C)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F	U91	1,5-dimethyl-3-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide
+COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)[C@@H]([C@H](C(=O)O)O)O	U94	4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-l-arabinonic acid
+c1cc(c(c(c1)Cl)c2c(c(on2)c3ccc[nH]3)COc4ccc(cc4)C(=O)O)C(F)(F)F	U95	4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
+[C@H]1([C@@H]([C@@H](O[C@@H]([C@H]1OS(=O)(=O)O)O)C(=O)O)O)O	U97	2-o-sulfo-beta-l-galactopyranuronic acid
+c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F	U98	2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide
+[C@H]1([C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O)NS(=O)(=O)O	U9A	[(2r,3r,4r,5r,6r)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2h-pyran-3-yl]sulfamic acid
+c1ccc(cc1)C[N@@H+]2CCP(=O)([C@](C2)(CCCC[NH3+])C(=O)O)O	U9B	(1r,3s)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide
+COC[C@@H]1C[C@@H]([C@H](C(O1)O)OC)OC	U9D	4-deoxy-2,3,6-tri-o-methyl-alpha-d-xylo-hexopyranose
+CCc1c(c([nH]c1c2cccc3c2cc[nH]3)C(=O)O)c4ccccc4Cl	U9E	3-(2-chlorophenyl)-4-ethyl-5-(1~{h}-indol-4-yl)-1~{h}-pyrrole-2-carboxylic acid
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)O)O	U9G	2,3-di-o-methyl-6-o-sulfo-alpha-d-glucopyranose
+c1c(cncc1F)N2C(=O)C3(CC(C3)C4CCC4)NC2=O	U9H	2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
+CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(O)O)O	U9J	(2r,3r,4s,5s,6r)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2h-pyran-2,5-diol
+Cn1cncc1c2cc(ccc2C[N@@H+]3CCP(=O)([C@](C3)(CCCC[NH3+])C(=O)O)O)F	U9K	(1r,3s)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1h-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide
+CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)O)C(O)O)O	U9M	(2r,3r,4s,5s,6s)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2h-pyran-2,5-diol
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC	U9N	[(2~{s})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate
+[C@@H]1([C@H](O1)C(=O)O)C(=O)O	U9S	(2r,3s)-oxirane-2,3-dicarboxylic acid
+CC1CCN(CC1)C(=O)NCCc2ccccc2F	U9T	~{n}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
+CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCC	U9V	pentadecyl(tetradecyl)peroxyanhydride
+CC1CCN(CC1)C(=O)Nc2ccc(cc2)Cl	U9W	~{n}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
+CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4cccc(c4Cl)Cl)N	U9Y	1-[3-(2,3-dichlorophenyl)-1h-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
+CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F	U9Z	4-methyl-~{n}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)NS(=O)(=O)O)C(=O)NC	UA1	n-(tert-butoxycarbonyl)-l-tyrosyl-n-methyl-4-(sulfoamino)-l-phenylalaninamide
+c1c(c2c([nH]1)c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O	UA2	3,4-pyrrolidinediol,2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2s,3s,4r,5r
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H](C(O2)CO)OP(=O)(O)O)O	UA3	uracil arabinose-3'-phosphate
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)[C@](O3)(C)c4cc(cc(c4)F)F)CCCOC	UA4	(2s)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2h-1,4-benzoxazin-3(4h)-one
+CCc1ccc(cc1)NS(=O)(=O)O	UA5	(4-ethylphenyl)sulfamic acid
+c1ccc2c(c1)C[C@H](C[C@H]2C3=C(c4ccccc4OC3=O)O)c5ccc(cc5)c6ccc(cc6)Br	UA7	brodifacoum
+CC1CCN(CC1)C(=O)NC2CCCCCC2	UA8	~{n}-cycloheptyl-4-methyl-piperidine-1-carboxamide
+C1=C(NC(=O)NC1=O)CC(=O)O	UAA	uracil-6-acetic acid
+CC1CCN(CC1)C(=O)NCCCCc2ccccc2	UAB	4-methyl-~{n}-(4-phenylbutyl)piperidine-1-carboxamide
+C1[C@@H]([C@@H]([C@H]([C@@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O	UAD	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2s,3r,4s,5s)-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+CC1CCN(CC1)C(=O)NC2CCCCC2	UAE	~{n}-cyclohexyl-4-methyl-piperidine-1-carboxamide
+C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	UAG	uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine-d-glutamate
+Cc1c(cc(cn1)COP(=O)(O)O)O	UAH	(5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+c1ccc(cc1)[C@H](c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O	UAJ	chlorophacinone
+CC1CCN(CC1)C(=O)N[C@H](C)c2ccccc2	UAK	4-methyl-~{n}-[(1~{r})-1-phenylethyl]piperidine-1-carboxamide
+C(=C(/C(=O)O)\N)\NC(=O)N	UAL	(2z)-2-amino-3-(carbamoylamino)prop-2-enoic acid
+CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C(=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N)N)O)O	UAM	amicoumacin a
+CNC1=Nc2c(ncn2C)C(=O)N1	UAN	9-methyl-2-(methylamino)-1h-purin-6-one
+C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)C(=O)O	UAP	4-deoxy-2-o-sulfo-alpha-l-threo-hex-4-enopyranuronic acid
+CC1CCN(CC1)C(=O)NCc2ccco2	UAQ	~{n}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	UAR	uracil arabinose-5'-phosphate
+c1ccc(cc1)C2C(=O)c3ccccc3C2=O	UAS	phenindione
+CC1CCN(CC1)C(=O)NCc2ccccc2	UAT	4-methyl-~{n}-(phenylmethyl)piperidine-1-carboxamide
+C[C@H]1C(=O)c2ccccc2C(=O)[C@]1(C/C=C(\C)/CCC[C@@H](C)CCCC(C)CCCC(C)C)O	UAV	(2r,3r)-2-hydroxy-3-methyl-2-[(2e,7s)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione
+CC1CCN(CC1)C(=O)Nc2ccc(cc2)O	UAW	~{n}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide
+[H]/N=C\1/c2c(cc(s2)c3ccccc3)C(=O)NC1=O	UAY	7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5h,7h)-dione
+CC1CCN(CC1)C(=O)Nc2ccc(cc2)OC	UAZ	~{n}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide
+CC1=CN(C(=O)N(C1=O)Cc2c(c(sc2C(=O)O)Br)Br)C[C@@H](C(=O)O)N	UB1	3-({3-[(2s)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)-4,5-dibromothiophene-2-carboxylic acid
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C)N[P@](=O)(CNC(=O)OCc1ccccc1)O	UB2	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-alanyl-l-leucine
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N[P@](=O)(CNC(=O)OCc1ccccc1)O	UB3	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-valyl-l-leucine
+c1ccc2c(c1)nc(s2)CC[C@@H](C(=O)O)N	UB4	(2s)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid
+CCCCCNC(=O)N1CCC(CC1)C	UB5	4-methyl-~{n}-pentyl-piperidine-1-carboxamide
+c1cc(ccc1C(=O)O)C(=O)O	UB7	terephthalic acid
+CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)C[C@@H](C(=O)O)N	UBA	(s)-1-(2-amino-2-carboxyethyl)-3(2-carboxythiophene-3-yl-methyl)-5-methylpyrimidine-2,4-dione
+C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=O)NC2=O	UBB	2',3'-dideoxy-uridine-5'-monophosphate
+c1ccc(c(c1)CN2C(=O)C=CN(C2=O)C[C@@H](C(=O)O)N)C(=O)O	UBC	(s)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)pyrimidine-2,4-dione
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)O	UBD	uridine 3',5'-bis(dihydrogen phosphate)
+CC1=CN(C(=O)N(C1=O)Cc2cc(sc2C(=O)O)c3ccccc3)C[C@@H](C(=O)O)N	UBE	3-({3-[(2s)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)-5-phenylthiophene-2-carboxylic acid
+c1csc(c1CN2C(=O)C(=CN(C2=O)C[C@@H](C(=O)O)N)Br)C(=O)O	UBF	3-({3-[(2s)-2-amino-2-carboxyethyl]-5-bromo-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)thiophene-2-carboxylic acid
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O)O	UBG	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
+CC(C)CNC(=O)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	UBI	2'-deoxy-5-[(2-methylpropyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
+C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	UBM	coenzyme f420-4
+CCCCCCCCNC(=O)N1CCC(CC1)C	UBN	4-methyl-~{n}-[(~{e})-oct-5-enyl]piperidine-1-carboxamide
+C1=CN(C(=O)N(C1=O)CCC(=O)O)C[C@@H](C(=O)O)N	UBP	3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl]-l-alanine
+CCCCCCCCCCCNC(=O)[N+]1CCC(CC1)C	UBQ	4-methyl-~{n}-undecyl-pyridine-1-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O	UBR	5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate)
+CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	UBS	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-valine
+CC(C)C[C@@H](C(=O)NCC(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	UBT	n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucylglycine
+CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBU	n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-ethyl-l-leucinamide
+CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBV	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-isoleucine
+CCC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBW	n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-norvaline
+CC(C)C[C@@H](C(=O)NC)NP(=O)(CNC(=O)OCc1ccccc1)O	UBX	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-methyl-l-leucinamide
+C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBY	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-alanine
+CC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBZ	(2s)-2-({n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl}amino)butanoic acid
+Cc1c(cco1)C(=S)Nc2ccc(c(c2)OCC=C(C)C)Cl	UC1	2-methyl-furan-3-carbothioic acid [4-chloro-3-(3-methyl-but-2-enyloxy)-phenyl]-amide
+Cc1c(cco1)C(=S)Nc2ccc(c(c2)\C=N\OC(C)(C)C)Cl	UC2	n-[4-cloro-3-(t-butyloxome)phenyl-2-methyl-3-furan-carbothiamide
+CC(C)OC(=O)c1cc(ccc1Cl)NC(=S)OC(C)C	UC3	1-methyl ethyl 2-chloro-5-[[[(1-methylethoxy)thiooxo]methyl]amino]-benzoate
+CC1=C(SCCO1)C(=O)Nc2ccc(c(c2)C(=O)OC(C)C)Cl	UC4	1-methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(CP(=O)(O)O)O)O	UC5	2'-deoxy-5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)C(=O)NC)c6ccccc6	UC8	~{n}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{h}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
+CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)C(=O)O	UC9	4-{6-[(2s)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2h-1,3-benzodioxol-4-yl}benzoic acid
+C[C@]12CCC(=O)[C@H]([C@@H]1CCC2=O)CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O	UCA	s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3as,4s,7as)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate
+CC[N+]1(CCC(CC1)NC(=O)C2c3cc(ccc3Oc4c2cc(cc4)Cl)Cl)CC5CCCCCC5	UCB	1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9h-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium
+CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	UCC	s-{(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)O)O	UCD	(4s,5r,6r)-6-((2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-4-yloxy)-4,5-dihydroxy-5  ,6-dihydro-4h-pyran-2-carboxylic acid
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)CO)c6ccccc6	UCE	~{n}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N	UCG	3'-o-[(r)-{[(2r,3ar,4r,6r,6ar)-6-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate)
+CC(C)OP(=O)(C)O	UCJ	propan-2-yl hydrogen (s)-methylphosphonate
+c1ccc(c(c1)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)Cl)O)Cl	UCK	(2s,4r)-1-(2-chlorophenyl)carbonyl-n-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)COP(=O)(O)O)O	UCL	5-chloro-2'-deoxyuridine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)c3c4c(c5c6ccccc6n7c5c3n2[C@H]8CC[C@@H]7O8)C(=O)NC4=O	UCM	rel-(9r,12s)-9,10,11,12-tetrahydro-9,12-epoxy-1h-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-1,3(2h)-dione
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N[C@@H]8O)NC)OC	UCN	7-hydroxystaurosporine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O	UCP	phosphomethyl phosphonic acid deoxyuridylate ester
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=C)(=O)O)NC(=O)OCc2ccccc2	UCS	n~2~-[(benzyloxy)carbonyl]-n-[(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-(trimethyl-lambda~4~-sulfanyl)propan-2-yl]-l-leucinamide
+CC(C)[C@@H](CNC(=O)N)N	UCV	1-[(2~{s})-2-azanyl-3-methyl-butyl]urea
+CC(C)(C)OC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	UCW	tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate
+CC1(CCC[C@@H]1O[P@H](=O)C)C	UCY	(1s)-2,2-dimethylcyclopentyl (r)-methylphosphinate
+CC(C)(C)[C@@H](/C(=C\c1ccc(cc1)Cl)/n2cncn2)O	UCZ	(1e,3s)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1h-1,2,4-triazol-1-yl)pent-1-en-3-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)C(=O)O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]3[C@@H]([C@@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O	UD0	(2s,3s,4r,5r,6r)-5-(acetylamino)-6-{[(s)-{[(s)-{[(2s,3r,4s,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2h-pyran-2-carboxylic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	UD1	uridine-diphosphate-n-acetylglucosamine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	UD2	uridine-diphosphate-n-acetylgalactosamine
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N	UD4	udp-2-acetamido-4-amino-2,4,6-trideoxy-alpha-d-glucopyranose
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O)F	UD5	5-fluorouridine
+CC(=O)C[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	UD6	[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate
+C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O	UD7	[(2r,3r,4r,6r)-3-acetamido-6-methyl-4-oxidanyl-5-oxidanylidene-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CC1(O[C@H]2CN(C[C@H]([C@@H]2O1)O)CCCCCCn3cc(nn3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C	UD8	n-((1-(6-((3ar,7r,7as)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4h)-yl)hexyl)-1h-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	UD9	(2r,3s,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O[C@](C)(C(=O)O)OP(=O)(O)O	UDA	3'-1-carboxy-1-phosphonooxy-ethoxy-uridine-diphosphate-n-acetylglucosamine
+CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2cc(cc(c2)F)F	UDB	(s)-n-(cyclopentylmethyl)-2-(3-(3,5-difluorophenyl)ureido)-n-(2-(hydroxyamino)-2-oxoethyl)-3,3-dimethylbutanamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O[C@@](C)([C@H](CO)O)C(=O)O	UDC	2-acetamido-3-o-[(2s,3s)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-d-glucopyranose
+c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F	UDD	n-[4-(trifluoromethyl)phenyl]-n-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNC(=O)Nc4cccc(c4)S(=O)(=O)N	UDE	3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-3-yl)-1h-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide
+CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	UDG	(2r,3r,4r,5s,6r)-2-{[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3r)-3-hydroxytetradecanoyl]amino}tetrahydro-2h-pyran-4-yl (3r)-3-hydroxytetradecanoate 
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O	UDH	6-aminohexyl-uridine-c1,5'-diphosphate
+C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C	UDJ	(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one
+CC1CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O	UDK	(r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide
+CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	UDM	uridine-diphosphate-methylene-n-acetyl-glucosamine
+CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	UDN	uridine-diphosphate-methylene-n-acetyl-galactosamine
+c1cc(cnc1)[C@H](c2ccc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)(F)F	UDO	(s)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O	UDP	uridine-5'-diphosphate
+CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(cc3)CN4CCCCC4)O	UDQ	n-[[(3r)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
+Cc1cc(cc2c1OC(=O)N2C)/C(=C/CCCc3nnc(o3)C)/c4cc(c(c(c4)C(=O)SC)OC)C	UDR	(e)-s-methyl 5-(1-(3,7-dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate
+c1ccc2c(c1)cc(c(n2)C(=O)N[C@H](CO)C(=O)O)O	UDS	n-[(3-hydroxyquinolin-2-yl)carbonyl]-d-serine
+CCCCCCCCCCOC(=O)S	UDT	o-decyl hydrogen thiocarbonate
+Cc1nnc2n1-c3ccc(cc3C(=NC24CC4)c5ccc(cc5)Cl)c6cnn(c6)C	UDV	6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1h-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine]
+c1cc(cc(c1)S(=O)(=O)N)CNc2cc(ncn2)N3CCC[C@H](C3)CO	UDW	(s)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide
+C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O	UDX	uridine-5'-diphosphate-xylopyranose
+c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F	UDY	6-fluoranyl-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CN=[N+]=N)O)O	UDZ	[(2r,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylimino-azanylidene-azanium
+CC(C)(C(=O)[O-])O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CNC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)c3cc(c(cn3)O)O)C[C@H](CO)O)C=O	UE1	(4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2r)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1h-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate
+CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C	UE2	(r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide
+CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C	UE5	(r)-n-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide
+c1[nH]c2c(n1)C(=O)NC(=S)N2C[C@H]3CCCO3	UE8	2-sulfanylidene-3-[(2r)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6h-purin-6-one
+C([C@@H]1[C@@H]([C@H]([C@](O1)(CO)O)O)O)O	UEA	beta-d-sorbofuranose
+c1ccc(cc1)[C@H](c2ccccc2CN3c4cc[nH]c4C(=O)NC3=S)N	UEB	(s)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2	UED	n~2~-[(benzyloxy)carbonyl]-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)CCC6)O	UEE	(r)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-n-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide
+Cc1c(c(c(cn1)CO)CO)O	UEG	4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol
+CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C	UEH	(r)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-n-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide
+CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4c(ccc(c4CN5C(=O)c6ccccc6C5=O)O)F	UEJ	n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide
+c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)N)Cl	UEK	n-{5-[(3s,4r)-1-[(3r)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide
+c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F	UEN	n4-cyclohexyl-5-(4-fluorophenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+CCC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	UEP	6-ethyluridine 5'-phosphate
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6([C@H]5C7CC7)CCC6)O	UEQ	4-[[(3r)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3r)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+c1ccc(cc1)C[C@H](C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N)NS(=O)(=O)Cc3ccccc3	UET	n-(benzylsulfonyl)-d-phenylalanyl-n-(4-carbamimidoylbenzyl)glycinamide
+[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	UEV	(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(cc3)C(=O)NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O	UEW	n-(((r)-1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-(((s)-1-isopropyl-2-azaspiro[3.3]heptan-2-yl)methyl)benzamide
+c1ccc(cc1)C[C@H](c2ccccc2)c3cc(nc4c3nn[nH]4)N	UEY	7-[(1r)-1,2-diphenylethyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+CC1(CCN(CC1)Cc2ccc3c(c2)cccc3NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C	UEZ	(r)-1-(6-(benzylamino)pyrimidin-4-yl)-3-(((6-((4,4-dimethylpiperidin-1-yl)methyl)naphthalen-1-yl)amino)methyl)piperidin-3-ol
+CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCNC(=O)CO)O	UF0	o-[(r)-hydroxy{[(3r)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-l-serine
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	UF2	1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+CC(C)(C#Cc1cc2c(nc1)n(cn2)Cc3ccc4c(c3)OC[C@@H](O4)c5ccc(nc5)OC)N	UF4	4-(3-{[(2s)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3h-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine
+c1ccc(cc1)[C@@H]2C[C@@H](c3c2cccc3)NCC[C@H](c4ccccc4)c5cc(nc6c5nn[nH]6)N	UF7	7-[(1r)-1-phenyl-3-{[(1s,3s)-3-phenyl-2,3-dihydro-1h-inden-1-yl]amino}propyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+c1ccc2c(c1)Sc3cccc(c3S2)C4=CC(=O)C=C(O4)N5CCOCC5	UF8	2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one
+c1ccc(cc1)C2CCC(CC2)NCC[C@H](c3ccccc3)c4cc(nc5c4nn[nH]5)N	UFA	7-{(1r)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+CO[C@@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O	UFB	2'-f,4'-beta-ome uridine 5'-(dihydrogen phosphate)
+c1ccc(cc1)[C@@H](CCNC23CCC(CC2)(CC3)c4ccccc4)c5cc(nc6c5nn[nH]6)N	UFD	7-{(1r)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+C1=C2C(=C(C3=[N]2[Fe]45n6c1c(c(c6C=C7[N]4=C(C=C8N5C(=C3)C(=C8CCC(=O)O)CC(=O)O)C(=C7CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O	UFE	fe(iii) uroporphyrin
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)F)O)O)O)O	UFG	uridine-5'-diphosphate-4-deoxy-4-fluoro-alpha-d-galactose
+c1cc(c(cc1n2ccnc2)Br)C=O	UFH	2-bromanyl-4-imidazol-1-yl-benzaldehyde
+c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I	UFJ	n~1~-hydroxy-n~8~-(4-iodophenyl)octanediamide
+c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc6c(c5O[C@@H]([C@@H]4O)c7ccc(c(c7)O)O)[C@H]8c9c(cc(cc9O[C@]([C@@H]8O)(O6)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O	UFK	cinnamtannin b1
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	UFM	uridine-5'-diphosphate-mannose
+c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@@H]4[C@H]([C@H](OC5=C4[C@H](CC6=C5[C@H]7c8c(cc(cc8O[C@]([C@@H]7O)(O6)c9ccc(c(c9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O	UFN	modified form of cinnamtannin b1 with sp3 hybridized c5'
+CN1CCN(c2c1ccc(c2)CN)C	UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O	UFP	5-fluoro-2'-deoxyuridine-5'-monophosphate
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)S)O)O	UFQ	cytosine 5'-[gamma-thio]triphosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)O)O	UFR	2'-deoxy-5-formyluridine 5'-(dihydrogen phosphate)
+C#CCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(cc2)NC(=O)CCCCCCC(=O)NO	UFS	n~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-n~8~-hydroxyoctanediamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	UFT	2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)
+c1c(cc(c(c1N)N)Br)C(F)(F)F	UFV	3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
+Cc1cc(c(c(c1)C)N2C[C@@H](N(C2=[Au])c3c(cc(cc3C)C)C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C	UFW	 ((4s)-1,3-dimesityl-4-((5-((3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold
+B([C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O	UFY	n-[(1r)-1-borono-3-methylbutyl]-nalpha-(pyrazine-2-carbonyl)-d-phenylalaninamide
+c1ccc(cc1)C[NH3+]	UFZ	(phenylmethyl)azanium
+c1cnccc1n2cnc(c2N)C(=O)N	UG1	5-amino-1-(pyridin-4-yl)-1h-imidazole-4-carboxamide
+c1ccc(cc1)c2nccn2c3ccc(cc3)CO	UG2	[4-(2-phenylimidazol-1-yl)phenyl]methanol
+c1cc(cnc1)n2cnc(c2N)C(=O)N	UG4	5-amino-1-(pyridin-3-yl)-1h-imidazole-4-carboxamide
+c1cc(ccc1C=O)n2cc(nc2)C(F)(F)F	UG5	4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde
+c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CNC(=O)C4CNC4)C5CCN(CC5)S(=O)(=O)C(F)(F)F	UG7	n-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1h-indol-6-yl]methyl}azetidine-3-carboxamide
+c1cc(ccc1C=O)S(=O)(=O)N2CCCCC2	UG8	4-piperidin-1-ylsulfonylbenzaldehyde
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O	UGA	uridine-5'-diphosphate-glucuronic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O	UGB	(2s,3r,4s,5r,6r)-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
+[C@H](C(=O)O)(NC(=O)N)O	UGC	(2s)-(carbamoylamino)(hydroxy)ethanoic acid
+c1cc(cc(c1)O[C@@H]2CC(=O)N2)NC(=O)Cc3cncnc3	UGD	n-(3-{[(2r)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
+c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O	UGE	4-(3,4-dihydro-2~{h}-quinolin-1-ylsulfonyl)benzaldehyde
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)F)O)O)O)O	UGF	(2~{r},3~{s},4~{r},5~{r},6~{r})-6-[[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+c1ccc(cc1)NC(=O)Cc2cncc3c2cccc3	UGG	2-(isoquinolin-4-yl)-n-phenylacetamide
+C(CN)CNCCS	UGH	wr-1065
+c1c(c(cnc1N)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F	UGI	5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
+c1ccc(c(c1)c2c(c(nc3c2c(c(s3)C#N)N)N)C#N)Cl	UGJ	3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
+Cc1c(cn(n1)C)c2cc3c(cc2OC)ncc4c3N(C(=O)N4C)c5c(cncc5F)OC	UGK	8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one
+c1cc(cnc1)NC(=O)Cc2cc(cnc2)C#N	UGM	2-(5-cyanopyridin-3-yl)-n-(pyridin-3-yl)acetamide
+Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C	UGN	1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
+Cc1ccncc1NC(=O)Cc2cccc(c2)C#N	UGP	2-(3-cyanophenyl)-n-(4-methylpyridin-3-yl)acetamide
+Cc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2	UGQ	2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{h}-isoquinoline
+COc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2	UGS	n-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide
+c1cc(cc(c1)/N=C(\c2cccs2)/N)CO[C@@H]3CCNC3	UGT	n-[3-[[(3r)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide
+c1cc(cnc1)NC(=O)Cc2ccc(s2)Cl	UGV	2-(5-chlorothiophen-2-yl)-n-(pyridin-3-yl)acetamide
+CC(C)(C)c1ccc(c(c1)C(C)(C)C)O	UGW	2,4-di~{tert}-butylphenol
+CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2n1cc(c2)c3ccsc3	UGX	n-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide
+[C@H](C(=O)O)(N)NC(=O)N	UGY	(2s)-amino(carbamoylamino)ethanoic acid
+COc1cc(ccc1CNCCNS(=O)(=O)C)c2cccc(c2Cl)c3ccc4c(c3)OCCO4	UGZ	n-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide
+c1cc(cc(c1)C#N)CC(=O)Nc2cccnc2	UH1	2-(3-cyanophenyl)-n-(pyridin-3-yl)acetamide
+Cc1ccc(s1)NC(=O)Nc2cccnc2	UH4	n-(5-methylthiophen-2-yl)-n'-pyridin-3-ylurea
+c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OCCCN)CO)O)O	UH5	3-aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-d-mannopyranoside
+Cc1ccncc1NC(=O)Cc2cccc(c2)Cl	UH7	2-(3-chlorophenyl)-n-(4-methylpyridin-3-yl)acetamide
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)n2cc(nn2)c3cccnc3	UH8	methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-d-mannopyranoside
+Cc1ccncc1NC(=O)[C@H](C)c2cccc(c2)Cl	UHA	(2r)-2-(3-chlorophenyl)-n-(4-methylpyridin-3-yl)propanamide
+c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)CNC2=O	UHB	2-[4-[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-n-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide
+CCCCCCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O	UHD	6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione
+CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cn1)C	UHF	n-((2r,4s)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-n-hydroxyformamide
+C[C@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O	UHG	(2r)-2-(6-chloro-9h-carbazol-2-yl)propanoic acid
+C[C@H](CCC(=O)N)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(C=C[C@H](C4)O)C)O)O)C	UHH	(3alpha,5alpha,7alpha,8alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxychol-1-en-24-amide
+[H]/N=C/1\NC(=O)/C(=C/c2cc(cnc2)c3ccc(cc3)NS(=O)(=O)C)/S1	UHJ	n-[4-(5-{(z)-[(2e)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide
+c1ccc(c(c1)C(=O)NCc2cnsc2)OCC#N	UHM	2-(cyanomethoxy)-n-[(1,2-thiazol-4-yl)methyl]benzamide
+c1cc(ccc1C=O)S(=O)(=O)N2CCC(CC2)N3CCCC3	UHN	4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde
+CN(C)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UHQ	4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
+CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C	UHS	n-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-n-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
+CN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)C=O	UHT	~{n}-cyclohexyl-4-methanoyl-~{n}-methyl-benzenesulfonamide
+CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)Nc3ccc(cc3C)OC	UHV	n-(5-tert-butyl-1,2-oxazol-3-yl)-n-[(1r)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UHW	4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
+COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)F)N)N	UHX	6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3ccc(nc3)C(C)C)C(=O)CC)C	UHY	n-[(1r)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-n-[6-(propan-2-yl)pyridin-3-yl]propanamide
+CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O	UHZ	(5-methanoyl-2-nitro-phenyl) methanesulfonate
+c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)Nc4ccc(cc4)CN	UI1	6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-4-(pyrimidin-2-ylamino)-2-naphthamide
+c1cc2ccc(cc2c(c1)Nc3ncccn3)C(=N)N	UI2	8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide
+[H]/N=C(/c1ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)\N	UI3	7-methoxy-8-[1-(methylsulfonyl)-1h-pyrazol-4-yl]naphthalene-2-carboximidamide
+C[C@H](CN)NC(=O)O	UIA	[(2~{r})-1-azanylpropan-2-yl]carbamic acid
+CC[C@@H]1[C@@H]2[C@@H]([C@@H]([N@](C2(C)C)C)c3ccc(cc3)C(=N)N)C(=O)N1Cc4ccc5c(c4)OCO5	UIB	(1r,3as,4r,8as,8br)-4-{5-(phenyl[1,3]dioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxo-octahydro-pyrrolo[3,4-c]pyrrol-1-yl}-benzamidine
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)c4ccc(cc4)CO	UIC	(3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl {(1s,2r)-1-benzyl-2-hydroxy-3-[{[4-(hydroxymethyl)phenyl]sulfonyl}(isobutyl)amino]propyl}carbamate
+c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N	UIH	6-(4-bromophenyl)-5-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+CC(C)C[C@H](CN)NC(=O)O	UIL	[(2~{r})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid
+CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=O)O	UIN	5,6,7,8,9,10-hexahydro-4-hydroxy-3-(1-phenylpropyl)cycloocta[b]pyran-2-one
+CC[C@@H]1[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C(=O)N1Cc4ccc5c(c4)OCO5)c6ccc(cc6)C(=N)N	UIP	(1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-ethyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine
+[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C(C)C)\N	UIQ	(1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-isopropyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine
+c1cc(ccc1[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C7CC7)C(=N)N	UIR	(1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-yl-1-cyclopropyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine
+[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@@H](N(C3=O)Cc5ccc6c(c5)OCO6)Cc7ccccc7)\N	UIZ	(1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl)-1-benzyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrozilin-4-yl-benzamidine
+CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3cc([nH]n3)C(C)(C)C)C(=O)CC)C	UJ1	n-(5-tert-butyl-1h-pyrazol-3-yl)-n-[(1r)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+CO[C@@H](c1ccc(cc1)c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O	UJ2	2-[(~{s})-methoxy-(4-phenylphenyl)methyl]-3~{h}-benzimidazole-5-carboxylic acid
+CCC(=O)N(c1ccc(cc1)[C@H](C)OC)[C@H](c2cccnc2)C(=O)Nc3ccc(cc3C)OC	UJ4	n-{4-[(1s)-1-methoxyethyl]phenyl}-n-[(1r)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+CC(C)c1ccc(cc1)[C@@H](c2[nH]c3cc(ccc3n2)C(=O)O)OC	UJ5	2-[(~{s})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{h}-benzimidazole-5-carboxylic acid
+c1ccc2c(c1)[C@@H](C(=O)N2)Cc3ccc4c(c3C(=O)O)OCO4	UJ6	5-{[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid
+C[C@@H]1[C@@H](OC(=N1)N2CCN([C@@H](C2)C(=O)NCc3cccs3)C(=O)[C@@H](CC4CCCCC4)NC5CCCCC5)c6ccccc6	UJ7	(2s)-1-(n,3-dicyclohexyl-d-alanyl)-4-[(4r,5s)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-n-[(thiophen-2-yl)methyl]piperazine-2-carboxamide
+CC(C)c1ccc(cc1)[C@@H](c2[nH]c3ccccc3n2)O	UJ8	(~{s})-1~{h}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol
+c1cc(sc1)CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC3CCCCC3)NC4CCCCC4)c5nc6cc(ccc6o5)Cl	UJA	(2s)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(n,3-dicyclohexyl-d-alanyl)-n-[(thiophen-2-yl)methyl]piperazine-2-carboxamide
+C[C@@H]1COC[C@H](N1C2=CC(=O)N3CC[C@H](N(C3=N2)Cc4ccc(s4)Cl)C(F)(F)F)C	UJB	(2s)-1-[(5-chloro-2-thienyl)methyl]-8-[(3r,5r)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2h-pyrimido[1,2-a]pyrimidin-6-one
+C1CSC(S1)C(=O)O	UJD	1,3-dithiolane-2-carboxylic acid
+C1CNC[C@H]1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	UJE	5-((3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)-n-((s)-pyrrolidin-3-yl)pentanamide
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)[C@H]7CCCS7	UJG	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-{7,8-dimethyl-2,4-dioxo-5-[(2r)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
+CON1C=CC(=O)c2c1cccc2	UJH	1-methoxy-4-oxoquinoline
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C7SCCS7	UJJ	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[5-(1,3-dithiolan-2-yl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+Cc1ccccc1n2cc(nn2)C(=O)O	UJK	1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid
+C1C[C@H](SC1)C(=O)O	UJM	(2s)-thiolane-2-carboxylic acid
+c1ccc(cc1)COC2[C@@H]([C@H](C([C@@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O	UJN	[oxidanyl-[(2s,3r,5s,6s)-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid
+C1C[C@@H](SC1)C(=O)O	UJP	(2r)-thiolane-2-carboxylic acid
+c1ccc2c(c1)C(c3ccccc3O2)C(=O)O	UJQ	9~{h}-xanthene-9-carboxylic acid
+[H]/N=C(\c1cc(c(s1)CCN)c2ccccc2)/N	UJW	5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide
+c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F	UJZ	4-bromanyl-6-(trifluoromethyl)-1~{h}-benzimidazole
+CCC[C@@H](C1=NOC(=O)N1)n2c3ccc(cc3cc2C(=O)N4CCc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=CN(C7=O)c8ccc9c(c8F)cnn9C)[C@@H]4C)N1CCOC(C1)(C)C	UK1	3-{(1s)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4h)-one
+B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O	UK2	(4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron
+c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(cc5n4C[C@@H]6CCO6)C(=O)O	UK4	2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2s)-oxetan-2-yl]methyl}-1h-benzimidazole-6-carboxylic acid
+c1ccc2c(c1)C(=O)C=CN2O	UK5	1-oxidanylquinolin-4-one
+c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO	UK7	3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1h-indol-3-yl]benzene-1-carbothioamide
+c1cc(c(c(c1)Cl)c2c(c(on2)c3c[nH]nc3)COc4ccc(cc4)C(=O)O)C(F)(F)F	UK8	4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
+CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCC(c4ccccc4)c5ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7)O)O	UKA	6-(2,2-diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-n-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide
+c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4ccc(c(c4)F)C(=O)O)C(F)(F)F	UKB	4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid
+CCN1c2c(cccn2)-c3ncc(n3-c4c1nc(cc4)OC)C	UKC	8-ethyl-6-methoxy-3-methyl-8h-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene
+c1c(nnn1C[C@@H](C(=O)O)N)P(=O)(O)O	UKD	3-(4-phosphono-1h-1,2,3-triazol-1-yl)-l-alanine
+COc1ccc2c(c1)nc(o2)C(=O)O	UKE	5-methoxy-1,3-benzoxazole-2-carboxylic acid
+B(c1ccc(cc1)[N+](=O)[O-])(O)O	UKH	p-nitrophenylboronic acid
+c1cc(c(cc1S(=O)(=O)C(F)F)[N+](=O)[O-])Oc2cc(cc(c2)Br)F	UKJ	1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene
+c1ccc(cc1)Oc2ccc(cn2)N	UKK	6-phenoxy-3-pyridinamine
+CCC[C@H](O)S(=O)(=O)O	UKM	(1r)-1-hydroxybutane-1-sulfonic acid
+CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)N3CCN(CC3)C(=O)CCN)C(C)C	UKP	[2,4,6-triisopropyl-phenylsulfonyl-l-[3-amidino-phenylalaninyl]]-n'-beta-alaninyl-piperazine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2[C@H]1O2)O)O)O)O	UKQ	(1r,6s)-5beta-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol
+B([C@H](CCCc1ccccc1)NC(=O)[C@@H](CCC)NC(=O)c2cnccn2)(O)O	UKS	[(1r)-4-phenyl-1-{[n-(pyrazine-2-carbonyl)-d-norvalyl]amino}butyl]boronic acid
+C1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O	UKT	(1r,2r,3r,4s,5r)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol
+COc1cccc(c1)/C=C\2/C(=O)NC(=S)S2	UKV	(5z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O	UKW	4-ethynyl-n-[(1s,2r)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide
+c1c(n(nn1)C[C@@H](C(=O)O)N)P(=O)(O)O	UKY	3-(5-phosphono-1h-1,2,3-triazol-1-yl)-l-alanine
+CCC[C@H]([C@H](c1cccc(c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3	UKZ	n-((1s,2r)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide
+COc1ccc(cc1OC)/C=C\2/C(=O)NC(=S)S2	UL1	(5z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+CCC[C@H]([C@H](c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(=O)O3	UL2	n-((1s,2r)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide
+CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)C	UL4	3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid
+C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3	UL5	~{n}2-methyl-~{n}4-[(1~{s},2~{s})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide
+c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)Cl	UL7	1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol]
+CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)O[C@@H](C)c3ccccc3	UL8	~{n}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{s})-1-phenylethoxy]benzamide
+C[C@H]1CC(=O)CCC[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C\C=C\c2nc(co2)-c3nc(co3)-c4nc1co4)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@@H](C)[C@H]([C@H](C)C=C[N@](C)CO)OC(=O)C)OC)O	ULA	ulapualide a
+Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3	ULB	3-methyl-5-(2-phenylmethoxyphenyl)-4~{h}-1,2,4-triazole
+c1cc(c2c(c1OC3CC(C3)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)(F)F	ULD	cis-3-({(1s)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1h-inden-4-yl}oxy)cyclobutane-1-carbonitrile
+C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3CC3	ULE	~{n}4-cyclopropyl-~{n}2-methyl-6-[(1~{s})-1-phenylethyl]pyridine-2,4-dicarboxamide
+C1[C@H]([C@@H]2[C@@H]([C@]1(O[C@H]2N3C=CC(=O)NC3=O)COP(=O)(O)O)O)F	ULF	[(1r,3r,4r,5r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-5-fluoro-7-hydroxy-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+c1cc(c2c(c1C(F)(F)F)[C@@H](CC2)O)Oc3cc(cc(c3)F)F	ULG	(1r)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1h-inden-1-ol
+C[C@H](c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC3	ULH	~{n}5-cyclopropyl-~{n}3-methyl-2-oxidanylidene-1-[(1~{r})-1-phenylethyl]pyridine-3,5-dicarboxamide
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	ULI	tetracontane
+COc1ccc(c(c1)NC(=O)c2c(n(nn2)Cc3ccc(cc3F)Br)N)OC	ULJ	5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-n-(2,5-dimethoxyphenyl)-1h-1,2,3-triazole-4-carboxamide
+C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)[C@H](c3ccccc3)O	ULK	~{n}2-methyl-~{n}4-[(1~{s},2~{s})-2-methylcyclopropyl]-6-[(~{s})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide
+c1c(c2c(c(n1)C(F)(F)F)[C@@H]([C@@H](C2)F)O)OC3CC(C3)(F)F	ULM	(6r,7s)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5h-cyclopenta[c]pyridin-7-ol
+C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4	ULN	~{n}2-methyl-~{n}4-[(1~{r},5~{s})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{s})-1-phenylethyl]pyridine-2,4-dicarboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)C(=O)O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O	ULP	(2s,3s,4r,5r,6r)-5-(acetylamino)-6-{[(r)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2h-pyran-2-carboxylic acid (non-preferred name)
+CNC(=O)c1cc(cc(n1)[C@H](c2ccccc2)OC)C(=O)NC3[C@H]4[C@@H]3COC4	ULQ	6-[(~{s})-methoxy(phenyl)methyl]-~{n}2-methyl-~{n}4-[(1~{s},5~{r})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
+c1c(cc(cc1Oc2cnc(c3c2CC[C@H]3O)C(F)(F)F)F)C#N	ULS	3-fluoro-5-{[(7r)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5h-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile
+c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4ccc(cc4)C(=O)O)C(F)(F)F	ULT	4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
+c1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5COC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F	ULV	4-{8-amino-3-[(6r,8as)-3-oxohexahydro-3h-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+CC(C)CCC/C(=C\CC/C(=C\COC(=O)CCN1C(=O)CCC1=O)/C)/C	ULW	[(2~{z},6~{z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate
+COc1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5CCC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F	ULY	4-{8-amino-3-[(6r,8as)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+c1cc2c(cc1Br)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4	ULZ	4-[4-[2-(5-bromanyl-1~{h}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
+C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	UM0	(2s)-2-[[(2r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid
+C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CN	UM1	(2r)-2-[[(2r)-2-(2-aminoethanoylamino)propanoyl]amino]propanoic acid
+CCCCNC(=O)[C@H](C)N	UM2	(2s)-2-amino-n-butyl-propanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O	UM3	2'-deoxyuridine 3'-monophosphate
+c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(F)F)OC3CC3)c4c5c(nccn5c(n4)[C@@H]6CC[C@H]7CCC(=O)N7C6)N	UM4	4-{8-amino-3-[(6r,8as)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3ccccn3	UM5	n-ethyl-3-(1-methyl-1h-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
+COC(=O)[C@@H]1CCCNN1	UM7	methyl (3s)-hexahydropyridazine-3-carboxylate
+Cn1cc(nn1)c2cc(cc(n2)Cc3ccccc3)C(=O)NC4CC4	UM8	2-benzyl-n-cyclopropyl-6-(1-methyl-1h-1,2,3-triazol-4-yl)isonicotinamide
+C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	UMA	uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine
+CNC(=O)c1cc(cc(n1)Cc2ccccc2)C(=O)NC3CC(C3)O	UMB	6-benzyl-n4-((1r,3r)-3-hydroxycyclobutyl)-n2-methylpyridine-2,4-dicarboxamide
+C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	UMC	2'-deoxy-5'-uridylic acid
+CCNC(=O)c1cc(nc(c1)C(C)c2ccccc2)c3cn(nn3)C	UME	n-ethyl-2-(1-methyl-1h-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)F	UMF	2'-fluoro-2'-deoxyuridine 3'-monophosphate
+CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C	UMG	methyl-umbellifertl-n-acetyl-chitotriose
+COc1ccc2c(c1)cc(cn2)C(=O)O	UMH	6-methoxyquinoline-3-carboxylic acid
+CC(C)(C)c1cc(n(n1)Cc2ccccc2)C(=O)O	UMJ	1-benzyl-3-tert-butyl-1h-pyrazole-5-carboxylic acid
+c1cc(ccc1C2(CCNCC2)O)Br	UMK	4-(4-bromophenyl)piperidin-4-ol
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	UML	uridine 5'diphospho n-acetyl muramoyl-l-alanyl-d-glutamyl-l-lysine
+CC(C)[C@@H](C(=O)N[C@H]1Cc2cccc(c2)OCCCCOC(=O)[C@@H]3CCCN(C1=O)N3)NC(=O)OC(C)(C)C	UMM	tert-butyl [(2s)-1-{[(3s,17s)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate
+c1ccc2c(c1)CC[C@]2(CO)NC(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl	UMN	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide
+CO[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O	UMO	2'-f-4'-ome u
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	UMP	2'-deoxyuridine 5'-monophosphate
+CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	UMQ	undecyl-maltoside
+C[Se][C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	UMS	2'-methylselenyl-2'-deoxyuridine-5'-phosphate
+c1ccc2c(c1)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4	UMT	4-[4-[2-(1~{h}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC(=O)OC)C#N	UMV	methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate
+CC(C)(CN1CC[C@@H](C1)N)O	UMW	1-[(3~{s})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol
+C[C@H]1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	UMX	[(1r,3r,4r,5s,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)F)C#N	UMY	7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile
+c1ccc2c(c1)c(c[nH]2)CCc3ccncn3	UMZ	3-(2-pyrimidin-4-ylethyl)-1~{h}-indole
+C(C[C@@H](C(=O)O)N)CC(=O)O	UN1	2-aminohexanedioic acid
+C([C@@H](C(=O)O)N)C(O)O	UN2	2-amino-4,4-dihydroxybutanoic acid
+Cn1c(cc(n1)c2ccccc2)NS(=O)(=O)O	UN3	(2-methyl-5-phenyl-2h-pyrazol-3-yl)-sulfamic acid
+c1[nH]c2c(n1)c(nc(n2)N)OC[C@H]3CCC(=O)N3	UN4	5-{[(2-amino-9h-purin-6-yl)oxy]methyl}-2-pyrrolidinone
+CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)NS(=O)(=O)O)NS(=O)(=O)O	UN5	{3(s)-methylcarbamoyl-2-[3-(3-sulfoamino-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-7-yl}-sulfamic acid
+c1cc(cc(c1)NS(=O)(=O)O)CCC(=O)NCc2cccc(c2)NS(=O)(=O)O	UN6	(3-{[3-(3-sulfoamino-phenyl)-propionylamino]-methyl}-phenyl)-sulfamic acid
+CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)O	UN7	3-[3-(3(s)-methylcarbamoyl-7-sulfoamino-3,4,-dihydro-1h-isoquinolin-2-yl)-3-oxo-propyl]-benzoic acid
+CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NS(=O)(=O)c4cn(cn4)C)C(=O)N(C1=O)Cc5ccccc5F	UN8	n-(4-{[3-butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl]methyl}phenyl)-1-methyl-1h-imidazole-4-sulfonamide
+c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O	UN9	n-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine
+CCCCCCCCCCC=O	UNA	undecanal
+[H]/N=C(\c1ccc(cc1)CNC(=O)Cc2c(ccc(c2O)NS(=O)(=O)c3cccc4c3cccc4)C)/N	UNB	n-(4-carbamimidoyl-benzyl)-2-[2-hydroxy-6-methyl-3-(naphthalene-1-sulfonylamino)-phenyl]-acetamide
+C1(=C(NC(=O)NC1=O)[N+](=O)[O-])N	UNC	5-amino-6-nitropyrimidine-2,4(1h,3h)-dione
+CCCCCCCCCCC	UND	undecane
+COc1cc(cc2c1oc(c2)C(=O)O)Br	UNE	5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid
+CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C2CCCCC2)NC(=O)OCC(C)C	UNH	({1-[1-carbamoyl-phenyl-methyl)-carbamoyl]-methyl}-aminooxalyl)-butylcarbamoyl)-3-methyl-butylcarbamoyl)-cyclohexyl-methyl)-carbamic acid isobutyl ester
+c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)C#N)[C@H](C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O	UNI	4-cyano-n-(3-cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-cycloocta[b]pyran-3-yl)methyl)phenyl benzensulfonamide
+c1cc2c(cc1Br)cc(o2)C(=O)O	UNJ	5-bromo-1-benzofuran-2-carboxylic acid
+CC[C@@H](C(=O)O)N	UNK	unknown
+	UNL	unknown ligand
+c1c2cc(oc2c(cc1Br)NC3CCC(CC3)N)C(=O)O	UNM	7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid
+C[C@@H](C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F	UNN	(6,7-difluoro-quinazolin-4-yl)-(1-methyl-2,2-diphenyl-ethyl)-amine
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O	UNP	5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine
+c1cc2c(cc1c3cncc(n3)NC4CCC(CC4)N)cc(o2)C(=O)O	UNQ	5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid
+C[n+]1cccc(c1)CC(O)(P(=O)(O)O)P(=O)(O)O	UNR	3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium
+Cc1cc(c(c2c1ccc(c2)C#N)C)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F	UNS	7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
+Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4nccn4	UNT	(2s)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2h-1,2,3-triazol-2-yl)propanoic acid
+c1ccc(cc1)C(=O)N	UNU	benzamide
+c1cc2c(nc1)CC(C2)(P(=O)(O)O)P(=O)(O)O	UNV	6,7-dihydro-5h-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)
+c1ccc2c(c1)CCCN(C2)C(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl	UNW	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{h}-isoindol-1-one
+*	UNX	unknown atom or ion
+C[C@@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C	UNY	(2~{r})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+C[C@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C	UNZ	(2~{s})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O	UO1	n-(1-acetyl-1h-indol-3-yl)-n-(5-hydroxy-2-methylphenyl)acetamide
+C[C@@H](C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N	UO2	(2~{s})-2-azanyl-~{n}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{h}-indazol-5-yl]propanamide
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC5CC5)C#N	UO4	5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile
+c1ccc2c(c1)CCN(CC2)C(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl	UO5	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{h}-isoindol-1-one
+C[C@@H]1c2ccc3cnc(cc3c2)/C=C/CC(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C	UO7	(2r,5s,11s,14s,18e)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
+c1nc2c(n1C3CCCCC3)NC(=NC2=S)N	UO8	2-azanyl-9-cyclohexyl-3~{h}-purine-6-thione
+CO[C@@H]1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O	UOA	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)
+CO[C@@H]1[C@@H]([C@@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O	UOB	2'-ome,4'beta-ome uridine 5'-(dihydrogen phosphate)
+CCCCCCCCCC(=O)C	UOC	undecan-2-one
+C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C)(C)C	UOD	(2r,5s,11s,14s,18e)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
+C[C@H](C(=O)N[C@H](CO)c1cccc(n1)N2CCN(CC2)C)N3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl	UOE	(2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide
+C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C(C)C)(C)C	UOG	(2r,5s,11s,14s,18e)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
+C[C@H](C(=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)Nc5cnn(n5)C)Cl	UOH	(2~{r})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide
+Cc1cc(on1)C(=O)Nc2ccncc2	UOI	3-methyl-n-(pyridin-4-yl)-1,2-oxazole-5-carboxamide
+C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C5CCC5)(C)C	UOJ	(2r,5s,11s,14s,18e)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
+COc1ccc2c(c1)c(c[nH]2)CC#N	UOK	2-(5-methoxy-1~{h}-indol-3-yl)ethanenitrile
+CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(cn3)C#N	UOM	6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile
+COc1ccc2c(c1)nc(n2c3ccc(cc3)C=O)Cl	UON	4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
+CC(C)c1ccc(cc1)NC(=O)N2CCN(C=C2)c3ccc(nn3)C#N	UOP	4-(6-cyanopyridazin-3-yl)-n-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2h)-carboxamide
+CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	UOQ	undeca-2-one coenzyme a
+CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3cnc(cn3)Cl	UOS	1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one
+COc1ccc2c(c1)n(c(n2)Cl)c3ccc(cc3)C=O	UOT	4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
+Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3CCC4(CC3)CCO4	UOV	n-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
+C[C@H](C(=O)N[C@H](CO)c1ccnc(c1)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	UOW	(2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide
+C([C@@H](C(=O)O)N)[Se@@H]=O	UOX	3-(oxido-lambda~4~-selanyl)-l-alanine
+CC(C)(C)C[C@@H](C(=O)O)NC(=O)c1ccc(nc1)Oc2ccccc2	UOY	4-methyl-n-(6-phenoxypyridine-3-carbonyl)-l-leucine
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](C(O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)F)O)O	UP1	uridine-5'-diphosphate-2-deoxy-2-fluorogalactose
+C1c2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c1[nH]5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O	UP2	uroporphyrinogen iii
+c1c2c(c(c([nH]2)cc3nc(cc4c(c(c([nH]4)cc5nc1C(=C5CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O	UP3	3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
+CC(C)(C)CC[C@@H](C(=O)O)NC(=O)c1cc(cc(c1)Cl)Cl	UP4	n-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-l-norleucine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)N	UP5	p1-(adenosine-5'-p5-(uridine-5')pentaphosphate
+C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	UP6	6-aza uridine 5'-monophosphate
+c1cc(c(c(c1)N)C(=O)O)C(=O)O	UP8	3-aminobenzene-1,2-dicarboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N	UPA	uridylyl-2'-5'-phospho-adenosine
+C/C=C\1/[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C	UPB	3-[5-[(~{z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{z})-[5-[(~{z})-[(4~{r})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O	UPC	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine
+CC(=O)N1CCC(CC1)C(=O)Nc2ccc(nc2)OC	UPD	1-acetyl-n-(6-methoxypyridin-3-yl)piperidine-4-carboxamide
+c1ccc(cc1)CCNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	UPE	2'-deoxy-5-[(2-phenylethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)F)O)O	UPF	uridine-5'-diphosphate-2-deoxy-2-fluorogalactose
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	UPG	uridine-5'-diphosphate-glucose
+CC(=O)N1CCC(CC1)C(=O)N(C)c2ccccc2	UPJ	1-acetyl-n-methyl-n-phenylpiperidine-4-carboxamide
+c1ccc(cc1)c2nccn2c3ccc(c(c3)O)C=O	UPK	2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol
+CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC	UPL	unknown branched fragment of phospholipid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)CO	UPM	uridine-5'-diphosphate-n-1-hydrooxy-ethanoyl muramaic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O	UPN	2-{[(2r,3r,4r,5r,6r)-3-(acetylamino)-2-{[(s)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}prop-2-enoic acid
+c1ccc(cc1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	UPP	phenyl-uridine-5'-diphosphate
+Cc1cn(cn1)c2ccc(cc2)C=O	UPQ	4-(4-methylimidazol-1-yl)benzaldehyde
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(N[P@@](=O)(O)OP(=O)(O)O)(O)(O)O)O	UPR	2'-deoxyuridine-5'-alpha,beta-aminophosphorane-triphosphate
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=S)(O)O)O	UPS	2'-deoxy-5'-o-thiophosphonouridine
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[P@@](=S)(O3)O	UPT	1-[(2r,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1h,3h)-dione
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O	UPU	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (s)-phosphate
+CC(C)(C)C(=O)OCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	UPV	2'-o-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate)
+c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)O	UPW	2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
+C/C(=N\Nc1[nH]ccn1)/c2ccc(cc2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-]	UPX	n-{4-[(1e)-n-1h-imidazol-2-ylethanehydrazonoyl]phenyl}-7-nitro-1h-indole-2-carboxamide
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(\C)/CCC=C(C)CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CCC=C(C)CCC=C(C)C	UQ	coenzyme q10, (2z,6e,10z,14e,18e,22e,26z)-isomer
+CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C	UQ1	ubiquinone-1
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CCC=C(C)C	UQ2	ubiquinone-2
+c1cc(c2c(c1NCCC(=O)O)non2)N(=O)=O	UQ4	n-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	UQ5	2,3-dimethoxy-5-methyl-6-(3,11,15,19-tetramethyl-eicosa-2,6,10,14,18-pentaenyl)-[1,4]benzoquinone
+Cc1c(c(c(c(c1O)OC)OC)O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	UQ6	5-(3,7,11,15,19,23-hexamethyl-tetracosa-2,6,10,14,18,22-hexaenyl)-2,3-dimethoxy-6-methyl-benzene-1,4-diol
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	UQ7	ubiquinone-7
+CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	UQ8	ubiquinone-8
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)C	UQ9	ubiquinone-9
+CCC1(C(=O)NC(=O)NC1=O)c2ccccc2	UQA	5-ethyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione
+c1cc(ccc1[C@H](CN)O)F	UQB	(1r)-2-amino-1-(4-fluorophenyl)ethanol
+[H]/N=C(\c1ccc(c(c1)Cl)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N	UQD	3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide
+[H]/N=C(\c1ccc(cc1)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N	UQG	4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide
+Cn1cc(c(n1)C(F)F)C(=O)N	UQJ	3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide
+CC(C)(C(=O)O)NC(=O)C(=O)O	UQK	n-oxalyl-alpha-methylalanine
+CC(=O)Nc1ccc(cc1)CC(=O)N	UQM	n-[4-(2-amino-2-oxoethyl)phenyl]acetamide
+Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br	UQN	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
+c1ccc(c(c1)CNc2c[nH]nc2)F	UQS	n-[(2-fluorophenyl)methyl]-1h-pyrazol-4-amine
+CC(=O)Nc1ccccc1CC(=O)O	UQV	[2-(acetylamino)phenyl]acetic acid
+CC[C@H](C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C=C	UQW	[(2r)-1-[2-(1h-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate
+CNC1(CCCC1)C(=O)N	UQY	1-(methylamino)cyclopentane-1-carboxamide
+CCCN([C@@H](c1cccc(c1)O)C(=O)NCc2ccc3c(c2)OCO3)C(=O)C=C	UQZ	~{n}-[(1~{s})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{n}-propyl-prop-2-enamide
+Cc1cc(cc(c1)S(=O)(=O)N)F	UR1	3-fluoro-5-methylbenzene-1-sulfonamide
+CN(CCCC1CCCCC1)C(=O)[C@H](CCC(=O)O)NC(=O)N(Cc2ccc(cc2)OP(=O)(O)O)CC(=O)O	UR2	4-[3-carboxymethyl-3-(4-phosphonooxy-benzyl)-ureido]-4-[(3-cyclohexyl-propyl)-methyl-carbamoyl]butyric acid
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	UR3	3-methyluridine-5'-monophoshate
+COCC(=O)Nc1nc(cs1)c2ccccc2	UR4	2-methoxy-n-(4-phenyl-1,3-thiazol-2-yl)acetamide
+C1[C@H]2[C@@H]([C@H](N1)C(=O)O)ONC2=O	UR5	(+)-3-hydroxy-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-6-carboxylic acid
+Cc1ccc(cc1F)CS(=O)(=O)N	UR7	1-(3-fluoro-4-methylphenyl)methanesulfonamide
+C1[C@@H]2[C@H]([C@@H](N1)C(=O)O)ONC2=O	UR8	(-)-3-hydroxy-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-6-carboxylic acid
+C1=CNC(=O)NC1=O	URA	uracil
+C1=C(C(=O)NC(=O)N1)Br	URB	5-bromopyrimidine-2,4(1h,3h)-dione
+C12=C(NC(=O)N1)NC(=O)NC2=O	URC	uric acid
+C1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	URD	1-((2r,3r,4s,5r)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyridine-2,4(1h,3h)-dione
+C(=O)(N)N	URE	urea
+C1=C(C(=O)NC(=O)N1)F	URF	5-fluorouracil
+c1ccc(cc1)C(=O)c2ccc(cc2)CNC(=O)c3ccc(cc3)S(=O)(=O)N	URH	~{n}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	URI	uridine
+Cc1nccc(n1)N2CCCc3c2ccc(n3)C4(CC4)NC(=O)c5ccc(cc5)F	URJ	4-fluoro-n-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide
+COc1cccc(c1OC)CNC(=O)[C@H](c2ccc(cc2)[N+](=O)[O-])OC(=O)C=C	URK	[(1s)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
+CC(C)C[C@@H](CNC(=O)O)N	URL	[(2~{s})-2-azanyl-4-methyl-pentyl]carbamic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(C[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O	URM	(((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)methyl)phosphonic (((2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride
+C1(=C(NC(=O)NC1=O)N)N	URN	5,6-diaminopyrimidine-2,4(1h,3h)-dione
+c1c(nc[nH]1)C=CC(=O)O	URO	(2e)-3-(1h-imidazol-4-yl)acrylic acid
+C(CNC(=O)N)C(=O)O	URP	n-(aminocarbonyl)-beta-alanine
+C[C@@H](CNC(=O)N)C(=O)O	URQ	(2s)-3-(carbamoylamino)-2-methylpropanoic acid
+c1ccc(cc1)NC(=S)N	URS	n-phenylthiourea
+c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OCP(=O)(O)O)F)N	URT	({[(2r,5r)-5-(6-amino-9h-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)phosphonic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O	URU	((2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-(2- ((((2r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)- 3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)-4- hydroxytetrahydrofuran-2-yl)methyl phosphate
+CC(C)[C@@H](CNC(=O)O)N	URV	[(2~{s})-2-azanyl-3-methyl-butyl]carbamic acid
+C[C@H](C(=O)NC)N(Cc1ccccc1OC(F)F)C(=O)c2cnc([nH]2)C(=O)n3cc4ccc(cc4c3)C(=O)N	URW	2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{r})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{h}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide
+C[C@@H]1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	URX	[(1r,3r,4r,5r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O	URY	3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)S	US1	2'-deoxy-3'-thiouridine 5'-(dihydrogen phosphate)
+CSC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	US2	2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate)
+CC1=CN(C(=NC1=O)[SeH])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	US3	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1h)-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OCOC[C@@H]3[C@H](C[C@@H](O3)n4cnc5c4ncnc5N)O	US4	[(2r,3s,5r)-3-({[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}methoxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
+C1=CN(C(=O)N=C1[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	US5	1-(5-o-phosphono-beta-d-ribofuranosyl)-4-selanylpyrimidin-2(1h)-one
+CS(=O)(=O)c1ccc(cc1)N2CCNCC2	US7	1-[4-(methylsulfonyl)phenyl]piperazine
+CC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NC3CC3	US8	2-acetamido-n-cyclopropyl-5-phenyl-thiophene-3-carboxamide
+[H]/N=C/c1[nH]ccn1	USA	(e)-1-(1h-imidazol-2-yl)methanimine
+CS(=O)(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O	USC	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
+[H]/N=C/c1ncccn1	USD	(e)-1-(pyrimidin-2-yl)methanimine
+c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O	USE	orientin
+c1cc(ccc1CC2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)F	USG	4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
+CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl	USH	2-[2-chloranylethanoyl(propyl)amino]-~{n}-(2-methoxyphenyl)ethanamide
+CN1[C@H](c2ccccc2[C@@H]1O)O	USJ	(1s,3s)-2-methyl-2,3-dihydro-1h-isoindole-1,3-diol
+CS[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	USM	2'-s-methyl-2'-thiouridine 5'-(dihydrogen phosphate)
+C[C@H]1C[C@]2(C(C3CC4=[N]5C(CC67[C@@](CC(=O)N6)(C(C8=[N]7[Ni]59[N]3=C2C(=C2N9C(=C8)C(C2CCC(=O)O)CC(=O)O)C1=O)CCC(=O)O)C)C([C@]4(C)CC(=O)N)CCC(=O)O)CC(=O)O)C	USN	dimethylated-f430 cofactor
+CN1c2ccc(cc2O[C@H]1O)N	USP	(2r)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CS(=O)(=O)O)O)O)O)O)O	USQ	sulfoquinovose-uridine-c1,5'-diphosphate
+c1ccc2c(c1)NC(=O)N2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)F	USS	3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{h}-benzimidazol-2-one
+c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C=O	UST	4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde
+c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2ccc(c3)Cl	USW	4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
+[H]/N=C(/N)\NCCCC(=O)c1ccc(cc1)F	USY	n-[4-(4-fluorophenyl)-4-oxobutyl]guanidine
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCc3cccc(c3)F	USZ	~{n}-(4-~{tert}-butylphenyl)-~{n}-[(1~{r})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide
+CCOc1ccc(cc1Nc2ccc3ccn(c3c2)S(=O)(=O)C)C(=O)C	UT0	1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone
+COc1ccc(cc1)NS(=O)(=O)c2cc(ccc2OC)NC(=O)c3ccc(s3)N(=O)=O	UT2	n-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide
+c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCNCC5)OCCO2	UT4	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7h-thieno[3,2-b]pyran-7-one
+CC(=O)N[C@@H]1CC[C@H](C1)c2[nH]c3c(ccnc3n2)c4ccc(cc4OC)F	UT5	n-((1r,3r)-3-(7-(4-fluoro-2-methoxyphenyl)-3h-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCO)O	UT7	oxa(dethia)-coa
+COc1ccc2c(c1)OCCN2S(=O)(=O)c3ccc(cc3)C=O	UT8	4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
+CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	UTA	acetyl-oxa(dethia)-coa
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#CC5=CN(C(=O)NC5=O)[C@H]6C[C@@H]([C@H](O6)CO)O	UTB	1-[(2~{r},4~{s},5~{r})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione
+c1cc(ccc1C2=CCN(CC2)CCCC(=O)c3ccc(cc3)F)Cl	UTD	4-(4-cyclohexyl-3,4-dihydro-2~{h}-pyridin-1-yl)-1-(4-$l^{2}-fluoranylcyclohexa-1,3,5-trien-1-yl)butan-1-one
+c1ccc(c(c1)NC(=S)NCc2ccco2)Cl	UTG	n-(2-chlorophenyl)-n'-[(furan-2-yl)methyl]thiourea
+Cc1c(c(on1)C)c2ccc3c(c(cnc3n2)C(=O)O)Nc4ccccc4C(C)(C)C	UTH	4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid
+c1cc2ccncc2c(c1)c3ccc(cc3)CC#N	UTJ	[4-(isoquinolin-8-yl)phenyl]acetonitrile
+CN1CCN(CC1)Cc2ccc(c(c2)OCCc3ccc(cc3)c4cccc5c4cncc5)c6c[nH]c7c6cncc7	UTM	8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1h-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O	UTP	uridine 5'-triphosphate
+c1ccc(cc1)Cn2cnc3c2cccc3	UTS	1-benzyl-1h-benzimidazole
+CC1(C(=O)c2ccccc2N1Cc3ccccc3OC(F)F)C	UTV	1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3h-indol-3-one
+B1234B567B189B212B33%10B454B656B787B911B232B4%105B7612S(CCC#N)CC(=O)NC(=O)OCCCCCCNC1C(N(c2ccccc2N1O)O)C#N	UTX	2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10b)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide
+C[C@@H]1CN(CCN1C(=O)CO)c2ncc(cn2)c3ccc4c(c3)N(C(C4=O)(C)C)Cc5cccnc5C#N	UTY	3-[(6-{2-[(3r)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1h-indol-1-yl)methyl]pyridine-2-carbonitrile
+c1c(cn(n1)CCO)Br	UU1	2-(4-bromo-1h-pyrazol-1-yl)ethan-1-ol
+C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O	UU3	(5r)-5-[(1s)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione
+C(CNC(=O)[C@H](CO)N)[C@@H](C(=O)O)N	UU4	(2s)-2-amino-4-(l-serylamino)butanoic acid
+C(CNC(=O)C=O)[C@@H](C(=O)O)N	UU5	(2s)-2-amino-4-[(oxoacetyl)amino]butanoic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)O)O)O	UUA	uridine uronic acid
+CN(C)C/C=C/C(=O)Nc1ccc(cc1)O[C@@H]2CCC[C@H](C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl	UUB	(e)-n-[4-[(1r,3r)-3-[[5-chloranyl-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide
+CC(=O)/N=C\1/Nc2ccccc2S1	UUD	n-(1,3-benzothiazol-2-yl)acetamide
+[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)CC)C)C)(F)F	UUE	8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene
+COc1cc(ccc1CO)Br	UUG	(4-bromo-2-methoxyphenyl)methanol
+[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)C[C@H]5[C@H](C[C@@H]([C@H]([C@@H]5O)O)O)O)C)C)(F)F	UUH	(1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
+c1cc(c(cc1Br)C#N)O	UUJ	5-bromo-2-hydroxybenzonitrile
+CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)OC(C)(C)C	UUK	tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
+c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl	UUL	4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol
+Cc1cc(no1)C(=O)Nc2cnn(c2)C	UUM	5-methyl-n-(1-methyl-1h-pyrazol-4-yl)-1,2-oxazole-3-carboxamide
+c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)NO	UUN	n-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
+c1cnc2c(cnn2c1)C(=O)NC3CC3	UUP	n-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+C1=CN(C(=O)C=C1Br)CCO	UUS	4-bromo-1-(2-hydroxyethyl)pyridin-2(1h)-one
+C[C@@H](CO)OC[C@H](C)OC[C@H](C)O	UUT	(2s)-2-{[(2s)-2-{[(2s)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
+C([C@@H]1[C@@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)O	UUU	(1s,2s,3s,4s,5r,6r)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+COCCn1cc(cn1)Br	UUV	4-bromo-1-(2-methoxyethyl)-1h-pyrazole
+CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)CCCCN(C)C	UUW	n-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide
+CN(CCO)c1ccccn1	UUY	2-[methyl(pyridin-2-yl)amino]ethan-1-ol
+COc1cccc2c1CCCC(=O)N2	UV1	6-methoxy-1,3,4,5-tetrahydro-2h-1-benzazepin-2-one
+c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)N=O	UV4	3-(benzoylamino)-n-oxobenzamide
+CC(=O)NCc1c[nH]nc1	UV7	n-[(1h-pyrazol-4-yl)methyl]acetamide
+CC(=Cc1ccc(cc1Br)C(=O)O)c2ccc3c(c2)C(CCC3(C)C)(C)C	UV8	3-bromo-4-[(1e)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
+CNc1ccccc1S(=O)(=O)C	UVA	n-methyl-2-(methylsulfonyl)aniline
+c1cc(ccc1C=O)S(=O)(=O)N2CCC[C@@H](C2)O	UVB	4-[(3~{s})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O	UVC	uridine-2',3'-vanadate
+COC(=O)Nc1ccc(cc1)Cc2ccncc2	UVD	methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate
+c1ccc2c(c1)N(CCO2)S(=O)(=O)c3ccc(cc3)C=O	UVE	4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde
+CN(C)C(=O)c1c[nH]nc1	UVG	n,n-dimethyl-1h-pyrazole-4-carboxamide
+CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UVH	4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde
+Cc1nc2ccccc2n1CCC(=O)N	UVJ	3-(2-methyl-1h-benzimidazol-1-yl)propanamide
+c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2cc(cc3)F	UVK	4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
+CCOC(=O)N1CCOCC1	UVM	ethyl morpholine-4-carboxylate
+c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2	UVN	4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde
+CO[C@@H]1[C@@H]([C@H](O[C@H]1[n+]2ccc(nc2O)O)/C=C/P(=O)(O)O)O	UVP	1-[(5e)-5,6-dideoxy-2-o-methyl-6-phosphono-beta-d-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium
+c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F	UVQ	4-[(6-fluoranyl-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde
+COCc1nnc(s1)N	UVS	5-(methoxymethyl)-1,3,4-thiadiazol-2-amine
+C[C@H]1CCCN1S(=O)(=O)c2ccc(cc2)C=O	UVT	4-[(2~{s})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde
+CC1=CC=C(C(=O)N1C)N	UVV	3-amino-1,6-dimethylpyridin-2(1h)-one
+CC(=O)OP(=O)(O)O	UVW	acetylphosphate
+C=C1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	UVX	[(1r,3r,4r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CCn1cc(cn1)CCO	UVY	2-(1-ethyl-1h-pyrazol-4-yl)ethan-1-ol
+c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)Cl	UVZ	4-[(6-chloranyl-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde
+CCOc1ccc2cc(cnc2c1)c3c(c(n(n3)C(C)(C)C)N)C(=O)N	UW1	5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1h-pyrazole-4-carboxamide
+CC(C)(Cn1c2c(c(n1)c3ccc4c(c3)ccc(n4)OC5CC5)c(ncn2)N)O	UW2	1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol
+c1cc(cc2c1cc(cn2)c3c(c(n(n3)C4CCCCC4)N)C(=O)N)OC5CCC5	UW3	5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1h-pyrazole-4-carboxamide
+CC(C)(C)n1c(c(c(n1)c2ccc3c(c2)ccc(n3)OC4CCC4)C(=O)N)N	UW4	5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1h-pyrazole-4-carboxamide
+CC(C)(Cn1c2c(c(n1)c3ccc4cc(ccc4c3)OC5CC5)c(ncn2)N)O	UW5	1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol
+Cn1c2c(nn1)CC[C@@H](C2)C(=O)O	UW7	(6s)-1-methyl-4,5,6,7-tetrahydro-1h-benzotriazole-6-carboxylic acid
+C(C(=O)O)C1(C(=O)O[Ti]23(O1)(OC(=O)C(O2)(CC(=O)O)CC(=O)O)OC(=O)C(O3)(CC(=O)O)CC(=O)O)CC(=O)O	UW8	2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid
+CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C[C@H](C(C)C)N(C)C)N	UW9	1-[(2s)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC(C)C)N	UWA	3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N	UWB	3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CNCc1nnc2n1cccc2	UWD	n-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
+C(#[O+])[Ni]	UWE	$l^{3}-oxidanylidynemethylnickel
+C[C@@H](c1cnn(c1)C2CCCC2)O	UWG	(1s)-1-(1-cyclopentyl-1h-pyrazol-4-yl)ethan-1-ol
+COCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UWH	4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)[Se]C	UWJ	5-methyl-1-(2-se-methyl-5-o-phosphono-2-seleno-beta-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+CO[C@@H]1CCCN(C1)S(=O)(=O)c2ccc(cc2)C=O	UWK	4-[(3~{r})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde
+Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CC(C5)C#N)CC#N	UWM	trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}cyclobutane-1-carbonitrile
+c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)N4CCCC4)C(=O)N5CCC(CC5)N6CCCC6	UWN	[2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}
+Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CN(C5)CC(F)(F)F)CC#N	UWP	[3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
+COC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UWQ	4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde
+Cc1cc(on1)CN2C(=O)C=CC(=N2)C	UWS	6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2h)-one
+C[C@H](CO)OC[C@H](C)OC[C@H](C)O	UWT	(2r)-2-[(2s)-2-[(2s)-2-oxidanylpropoxy]propoxy]propan-1-ol
+c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)Cl	UWU	6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one
+c1ccc(c(c1)NCc2cc[nH]n2)F	UWV	2-fluoro-n-[(1h-pyrazol-3-yl)methyl]aniline
+CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCOCC4)N(C(=O)C(=O)N3C)C	UWX	~{n}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
+CCn1cc(cn1)NC(=O)C2CCCC2	UWY	n-(1-ethyl-1h-pyrazol-4-yl)cyclopentanecarboxamide
+CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c2c[nH]c(n2)C(=O)N3CCCC3	UWZ	~{n}-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-~{n}-[2-(methylamino)-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ylcarbonyl-1~{h}-imidazole-4-carboxamide
+COc1cccc2c1c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO	UX0	(1s,2r,3r,5r)-3-(hydroxymethyl)-5-((5-methoxyquinazolin-4-yl)amino)cyclopentane-1,2-diol
+CNC(=O)C1(CC1)Cc2ccccc2F	UX1	1-[(2-fluorophenyl)methyl]-n-methylcyclopropane-1-carboxamide
+CCOC(=O)N1CCN(CC1)C(=O)Nc2c(c3c(s2)N=C4CC[C@H](CCN4C3=O)C)C	UX4	ethyl 4-[(8r)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoylpiperazine-1-carboxylate
+COc1ccc2c(c1)sc(n2)NC(=O)C3CC3	UX7	n-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
+c1ccc2c(c1)c(c[nH]2)[C@H]([C@@H](C(=O)O)N)O	UX8	(2~{s},3~{r})-2-azanyl-3-(1~{h}-indol-3-yl)-3-oxidanyl-propanoic acid
+CC(C)(C)[C@@H](C(=O)NN(CC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC	UX9	methyl [(2s)-1-{2-(2-{(3r,4s)-3-benzyl-4-hydroxy-1-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate
+c1cc2c(cc1C(=O)NC3CC3)OCO2	UXA	~{n}-cyclopropyl-1,3-benzodioxole-5-carboxamide
+c1c(cn[nH]1)C(=O)N2CCCC2	UXD	(1h-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
+CC1(CCN(CC1)Cc2ccc(cn2)NCC3(CCN(CC3)c4cc(ncn4)NCc5ccccc5)O)C	UXE	4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol
+c1ccc(cc1)C(c2ccccc2)N3CC(C3)O	UXG	1-(diphenylmethyl)azetidin-3-ol
+CN1c2c3c(cc(nc3c(c(c2N)Cl)N)C(=O)N)C1=O	UXH	6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide
+Cc1c(c[nH]n1)CNc2ccccc2F	UXJ	2-fluoro-n-[(3-methyl-1h-pyrazol-4-yl)methyl]aniline
+CC1(CCN(CC1)Cc2ccc(cn2)N3CCOC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C	UXK	6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-n-(phenylmethyl)pyrimidin-4-amine
+CCc1c(c(nc(c1C#N)S[C@H](c2ccccc2)C(=O)N)N3CCC(CC3)N)C#N	UXM	(2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide
+CN(C1CCOCC1)S(=O)(=O)c2ccc(cc2)C=O	UXN	4-methanoyl-n-methyl-n-(oxan-4-yl)benzenesulfonamide
+c1c([nH]nc1Nc2c3c[nH]nc3nc(n2)N4CCCC[C@@H]4CO)C5CC5	UXP	[(2r)-1-{4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-2h-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol
+c1cc(ccc1C[C@@H](C(=O)O)N)CNC(=O)CCl	UXQ	(2s)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid
+CSCC[C@@H](CO)N	UXS	(2s)-2-amino-4-(methylsulfanyl)butan-1-ol
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C	UXT	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+CC1(CCN(CC1)Cc2ccc(cn2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C	UXW	4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+C(CN)[C@H](C[C@@H](C(=O)O)N)O	UXY	(4r)-4-hydroxy-l-lysine
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C	UXZ	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+CO[C@@H]1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O	UY1	2'-o-methylpseudouridine-5'-monophosphate
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC4(CCN(CC4)c5cc(ncn5)NC)NC3=O)C	UY2	3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one
+C[C@@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O	UY4	(2s,3s)-2-{[(9-{(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9h-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid
+CC(C)Nc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(cc4)CN5CCC(CC5)(C)C	UY5	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+C1[C@@H](CN[C@H]1C(=O)O)O	UY7	(4s)-4-hydroxy-d-proline
+C1[C@H](CN[C@H]1C(=O)O)O	UYA	(4r)-4-hydroxy-d-proline
+CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=CC)[C@H](C(=O)N4)C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C	UYC	3-[2-[(~{z})-[5-[(~{z})-[(4~{r})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CC(C)(C)c1cc(nn1C)Nc2c3cn[nH]c3nc(n2)N[C@@H](CO)c4ccccc4	UYD	(2r)-2-({4-[(5-tert-butyl-1-methyl-1h-pyrazol-3-yl)amino]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol
+CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3	UYG	(3s,6s)-3-[(1h-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC	UYH	[(2~{s})-3-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)nc(n4[C@H](C)COC)C5CCOCC5	UYK	(r)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2h-pyran-4-yl)-1h-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4c[nH]c5c4cccc5	UYM	(3s,6s)-3,6-bis[(1h-indol-3-yl)methyl]piperazine-2,5-dione
+C/C(=N\NC(=[NH2+])N)/c1cc(cc(c1)/C(=N/NC(=[NH2+])N)/C)N	UYN	[[(2e)-2-[1-[3-[(e)-n-[[azaniumylidene(azanyl)methyl]amino]-c-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium
+c1c(ccc(c1)/C=N/NC(=[NH2+])N)/C=N/NC(=[NH2+])N	UYQ	[[(2e)-2-[[4-[(e)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium
+CN(C)c1c(nc(c(n1)N)C(=O)N=C(N)N)C#Cc2ccccc2	UYS	3-amino-n-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide
+C/C(=N\NC(=[NH2+])N)/c1ccccc1	UYT	[azanyl-[(2e)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium
+c1ccc(c(c1)/C=N/NC(=[NH2+])N)OCc2ccc(cc2)Cl	UYW	[azanyl-[(2e)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6ncn5)C	UYZ	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[N-]	UZ0	2'-azido-2'-deoxyuridine
+C1CC1N	UZ1	cyclopropanamine
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)N(C4(C3)CCN(CC4)c5cc(ncn5)NC)C)C	UZ2	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+C1CNC(=O)[C@@H]1C[C@@H]([C@H](C(=O)O)O)N	UZ4	(2r,3s)-3-amino-2-hydroxy-4-[(3s)-2-oxopyrrolidin-3-yl]butanoic acid
+CC1(CCN(CC1)Cc2cc(c(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)F)C	UZ5	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+c1ccc(cc1)OC(=O)O	UZ7	phenyl hydrogen carbonate
+C[C@H](CCC(=O)NCCCC[C@@H](C(=O)O)N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C	UZ9	(2s)-2-amino-6-({(4r)-4-[(10r,13s)-10,13-dimethyl-3-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl}amino)hexanoic acid
+CC/C=C/CCC[C@@](C)(C(=O)O)N	UZA	(2s,6e)-2-amino-2-methylnon-6-enoic acid
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6nc(n5)Cl)C	UZB	9-(2-chloranyl-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one
+CCCCCCCNC(=O)OC[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O	UZD	methyl 6-o-(heptylcarbamoyl)-beta-l-altropyranoside
+CC1(CCN(CC1)Cc2ccc(c(c2)F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C	UZE	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)Oc4ccc(c(c4)OC)OC)\N	UZG	2-[4-(3,4-dimethoxyphenoxy)phenyl]-1h-benzimidazole-6-carboximidamide
+CC1(CCN(CC1)Cc2ccc(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C	UZH	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+C1[C@@H]([C@@H](CO[C@H]1O)O)O	UZJ	2-deoxy-beta-d-ribopyranose
+C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3C[C@H]4C[C@H]4C3)C(=O)NCCC5CC5	UZK	(2s)-1-[[(1r,5s)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-n-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide
+c1cc(c(cc1Cl)Cl)[C@@H](CC(=O)NCCCS)CC(=O)NO	UZM	(3s)-3-(2,4-dichlorophenyl)-n~1~-hydroxy-n~5~-(3-sulfanylpropyl)pentanediamide
+CCCC[C@@H](CNC(=O)O)N	UZN	[(2~{s})-2-azanylhexyl]carbamic acid
+CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(cc1Cl)Cl	UZP	(3r)-3-(2,4-dichlorophenyl)-n~1~-hydroxy-n~5~-pentylpentanediamide
+CCCCNC(=O)c1ccc2c(c1)NC(=O)C[C@@H](N2C(=O)c3ccccc3F)C	UZQ	(2s)-n-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=N	UZR	2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate
+C(CCCS)CCC(=O)NO	UZS	n-hydroxy-7-sulfanylheptanamide
+C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(CC3)N)C(=O)NCCC4CC4	UZT	(2s)-1-(4-azanylpiperidin-1-yl)carbonyl-n-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide
+C(CCS)CC(=O)NO	UZV	n-hydroxy-5-sulfanylpentanamide
+c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO	UZW	~{n}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide
+C(CCC(=O)NO)CCS	UZY	n-hydroxy-6-sulfanylhexanamide
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)CNC(=O)CNC1=O)Cc2ccccc2)CCCCN)CCCCN	UZZ	1-[(3~{s},6~{s},9~{s},19~{r})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine
+[V+3]	V	vanadium ion
+c1cc(ccc1CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)Nc5ccncn5	V01	n-cyclopropyl-3-oxo-n-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2h-1,4-benzoxazine-7-carboxamide
+CCc1cccc(c1)[C@](c2ccccc2)(c3cccc(c3)O)SCCN	V02	3-[(r)-2-azanylethylsulfanyl-(3-ethylphenyl)-phenyl-methyl]phenol
+c1cc(c(cc1I)F)Nc2c(ccc3c2cn[nH]3)C(=O)NOCCO	V04	4-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-1h-indazole-5-carboxamide
+c1cnc(nc1)c2nnn(n2)Cc3c(cc(cc3F)C(=O)NO)F	V05	3,5-bis(fluoranyl)-~{n}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide
+Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4	V07	7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
+CC(C)[C@H](C=O)[C@H](C(=O)O)O	V08	(2 {r},3 {s})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid
+C[C@H]1[C@H]2CC=C([C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C\3/C(=O)C=NC3=O)/O)C)C	V0A	(3e)-3-{(2e,4e,6r)-1-hydroxy-4-methyl-6-[(1r,3r,4s,5r)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2h-pyrrole-2,4(3h)-dione
+Cc1ccc2nc(cn2c1)CNC(=O)C3=CC(=O)N4C=CC=CC4=N3	V0B	n-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide
+CCc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4	V0D	7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
+c1cc(ccc1CC#N)OC[C@H](CN2C=Nc3ccc(cc3C2=O)Cl)O	V0E	2-[4-[(2s)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile
+CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl	V0G	n-(3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide
+c1cc(ccc1OCC#N)OC[C@H](CN2C=Nc3ccc(cc3C2=O)Cl)O	V0H	2-[4-[(2s)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile
+CCCCN(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)C(=O)N4CCN([C@H](C4)C(=O)O)C(=O)C(C)(c5ccccc5)c6ccccc6	V0J	(2r)-4-(butyl{[2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid
+CC1=CC=C(C(=O)N1Cc2ccc(c(c2)F)F)C(=O)N[C@H](c3ccccc3)C(=O)Nc4ccc5c(c4)/C(=C\c6cnc[nH]6)/C(=O)N5	V0K	1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{n}-[(1~{r})-2-[[(3~{e})-3-(1~{h}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{h}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide
+C[C@@H](c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3	V0L	volitinib
+c1ccc2c(c1)CC(C2)(C(=O)O)NC(=O)Cc3ccccc3Nc4c(cccc4Cl)Cl	V0M	2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1h-indene-2-carboxylic acid
+CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2ccc(cc2)F)CO)O)O	V0N	2-[(2r,3s,4r,5r)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-n-methyl-ethanamide
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)OCCNCc4cccc(n4)N	V0P	7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine
+CCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)CO	V0Q	[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol
+CNC1CCC(CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5ccccc5s4)Cl	V0S	3-chloro-n-[trans-4-(methylamino)cyclohexyl]-n-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide
+c1cc(ccc1CO)S(=O)(=O)N2CCC(CC2)O	V0T	1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol
+C/C(=C(/O)\SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)O	V0V	(3s,5r,9r,19e)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name)
+Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)C	V0W	1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
+CN1C(=O)C(=C(N=C1N2CCC(CC2)N)c3ccc(c(c3)F)C#N)c4ccc(c(c4)F)OC	V0Y	4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile
+CSC[C@@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	V10	n^6^-[(1r)-2-[(1r)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine
+c1ccc(cc1)[C@H](CN2[C@H]3CC[C@@H]2CC(C3)OC(=O)c4ccccc4)O	V11	[(1s,5r)-8-[(2r)-2-hydroxy-2-phenyl-ethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate
+c1ccc2c(c1)[nH]c(n2)CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O	V12	5'-[(1h-benzimidazol-2-ylacetyl)amino]-5'-deoxycytidine
+C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O	V13	2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	V14	3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+c1ccc(cc1)CCC2=CC(=O)NC(=N2)N	V15	2-amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
+CCCCc1ccc(c(c1)C)N/C=N\O	V16	n-(4-butyl-2-methylphenyl)-n'-hydroxyimidoformamide
+c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCC(CC5)N6CCCC6	V17	(4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone
+c1ccc2c(c1)cncc2N3C(=O)C4(CC(C4)C5CCC5)NC3=O	V18	2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione
+CC1(C(=NC(N1[O])(C)C)SS(=O)(=O)C)C	V1A	s-(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-imidazol-4-yl) methanesulfonothioate
+c1ccc(cc1)C2CC3(C2)C(=O)N(C(=O)N3)c4cncc5c4cccc5	V1B	7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione
+CN1CC(C1)C(=O)N[C@@H](CCCCCC(c2ccon2)(O)O)c3[nH]cc(n3)c4ccccc4F	V1D	n-[(1s)-1-[4-(2-fluorophenyl)-1h-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide
+Cc1ccc(cc1)S(=O)(=O)N(C)C	V1E	~{n},~{n},4-trimethylbenzenesulfonamide
+c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)NCc3ccccc3	V1F	3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)NC(=O)[C@@H]5C[C@@H]5F)C)CO	V1G	(1s,2s)-n-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1h)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide
+Cc1ccc(cc1)S(=O)(=O)N2CC(C2)OC	V1H	3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine
+C(CO)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	V1J	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol
+Cc1ccc(cc1)S(=O)(=O)n2c3cc(ccc3nc2Cl)OC	V1K	2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole
+C1CCNC(=O)C1	V1L	piperidin-2-one
+Cc1cc(ccc1OCc2ccc(nc2)C(=O)OC)OC	V1M	methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate
+c1ccc2c(c1)c(c[nH]2)CCOP(=O)(O)O[C@H]3[C@@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	V1N	[(2s,3r,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl] 2-(1h-indol-3-yl)ethyl hydrogen phosphate
+CCC(CCCCC[C@@H](c1c(nc([nH]1)c2ccccc2)C(=O)N)NC(=O)C3CN(C3)C)(O)O	V1P	5-{(1s)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1h-imidazole-4-carboxamide
+Cc1ccc(cc1)S(=O)(=O)Nc2ccn(n2)C	V1Q	4-methyl-~{n}-(1-methylpyrazol-3-yl)benzenesulfonamide
+CCC(CCCCC[C@@H](c1c([nH]c(n1)c2ccc(cc2)F)C#N)NC(=O)[C@H]3CC34CCN(CC4)C)(O)O	V1S	(1s)-n-{(1s)-1-[5-cyano-2-(4-fluorophenyl)-1h-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
+CN1c2ccc(cc2N(C1=O)C)C(=O)N	V1T	1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazole-5-carboxamide
+CCC[C@@H]([C@@H](C(=O)O)O)N	V1V	(2s,3s)-3-amino-2-hydroxyhexanoic acid
+c1ccc(cc1)CC2=Nc3c4ccc(cc4ccc3N5C2=N[C@@](C5=O)(Cc6ccc(cc6)O)OO)O	V1W	v-coelenterazine
+Cc1ccc2c(c1NC(=O)c3csc4c3ncnc4N)ccnc2Nc5cccc(c5F)Cl	V1Y	4-amino-n-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide
+CSC[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	V20	n6^-[(1r)-2-[(1s)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine
+CSC1=S=Nn2c1nc3c2cc(cc3)S(=O)(=O)N	V21	3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide
+c1cc2nc(cn2cc1CNCC3CCCCC3)CNC(=O)C4=CC(=O)[N]5=CC=CC=C5N4	V22	~{n}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{h}-pyrido[1,2-a]pyrimidine-2-carboxamide
+CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4	V24	n-[([1,1'-biphenyl]-4-yl)sulfonyl]-n-({1-[3,4,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-1h-1,2,3-triazol-4-yl}methyl)-d-valine
+CCOC(=O)c1c(c2ccc(c(c2n1C)Cl)Cl)/C(=C\N)/C#N	V25	ethyl 3-[(e)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1h-indole-2-carboxylate
+CNc1c(c(c(c(c1S(=O)(=O)CCc2ccccc2)F)F)S(=O)(=O)N)F	V26	2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide
+CC(=O)N1CCC(CC1)C(=O)N2C[C@H]([C@@](C2)(C)c3ccccc3)c4ccc(cc4)C(C(F)(F)F)(C(F)(F)F)O	V27	1-(4-{(3s,4s)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one
+CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4	V28	n-({1-[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-1h-1,2,3-triazol-4-yl}methyl)-n-[([1,1'-biphenyl]-4-yl)sulfonyl]-d-valine
+CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N	V2A	neoseptin 3
+CCOc1ccccc1Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)C(=O)OC	V2C	methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 h-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate
+Cc1c(cccc1OCc2c(cccn2)C(=O)OC)O	V2D	methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate
+c1cc(c(cc1C=O)N2CCOCC2)[N+](=O)[O-]	V2E	3-morpholin-4-yl-4-nitro-benzaldehyde
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NCC(=O)O)O)O)O)N	V2G	2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid
+CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	V2H	(1s,3r,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CC[C@@H](C4)C(=O)O)O)O)O)N	V2J	5'-o-[(s)-[(3s)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine
+Cc1nc2cc(ccc2n1c3ccc(cc3)C=O)OC	V2K	4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC	V2M	n-[(2s)-1-({(2s)-4-hydroxy-3-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+Cc1nc2ccc(cc2n1c3ccc(cc3)C=O)OC	V2N	4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CCC[C@H]4C(=O)O)O)O)O)N	V2P	(2~{s})-1-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]pyrrolidine-2-carboxylic acid
+COC1CN(C1)C(=O)c2ccc(cc2)C=O	V2Q	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde
+c1ccc(cc1)C[C@@H](C(=O)O)NP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	V2S	(2~{s})-2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-phenyl-propanoic acid
+Cn1ccc(n1)NC(=O)c2ccc(cc2)C=O	V2T	4-methanoyl-~{n}-(1-methylpyrazol-3-yl)benzamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H](C(O2)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O	V2V	cdp-ribitol
+COc1ccc(cc1)CNC(=O)c2ccc(cc2)C=O	V2W	4-methanoyl-~{n}-[(4-methoxyphenyl)methyl]benzamide
+CCCC1=NC(=CNC1=O)c2cccnc2	V2Z	3-propyl-5-(3-pyridyl)-1h-pyrazin-2-one
+Cc1c(sc2c1C(=O)NC(=N2)SCC(=O)NCCO)C	V30	2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-(2-hydroxyethyl)acetamide
+c1ccc(cc1)CS(=O)(=O)Nc2ccc(cc2C(=O)O)Br	V31	5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid
+c1cc(ccc1C=O)C(=O)N2CCOCC2	V32	4-morpholin-4-ylcarbonylbenzaldehyde
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c([nH]2)cccc3OC	V34	ethyl (2e,4s)-4-{[n-(4-methoxy-1h-indole-2-carbonyl)-l-leucyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O	V35	d-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid
+[B-]([C@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O	V36	l-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid
+c1ccc(cc1)CCN2[C@@H]3CC[C@H]2CC(C3)OC(=O)c4ccccc4	V37	[(1r,5s)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate
+C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)c3ccccc3)C[C@@H](c4ccccc4)O	V38	[(1r,5s)-8-[(2r)-2-hydroxy-2-phenyl-ethyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate
+Cc1c(cccc1OCc2cccc(n2)CO)O	V39	3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O)N	V3A	9-{2-deoxy-5-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-erythro-pentofuranosyl}-9h-purin-6-amine
+CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(cc2)C=O	V3B	4-(4-methanoylphenyl)carbonyl-~{n},~{n}-dimethyl-piperazine-1-carboxamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c2ccccc2C#N)NC(=O)c3cc4c([nH]3)cccc4OC	V3D	(3s)-3-{[n-(4-methoxy-1h-indole-2-carbonyl)-l-leucyl]amino}-2-oxo-4-[(3s)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate
+CCCCOC(=O)[C@H]([C@@H]1[NH2+][C@H](C(S1)(C)C)C(=O)O)NC(=O)c2c(onc2c3ccccc3)C	V3H	(2r,4s)-2-[(1r)-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid
+c1cc2c(cc1C(=O)N3CCOCC3)nns2	V3J	(4,7-dihydro-2h-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone
+Cn1cc(cn1)CNC(=O)c2ccc(cc2)C=O	V3K	4-methanoyl-~{n}-[(1-methylpyrazol-4-yl)methyl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N	V3L	2'-o-(5-o-phosphono-alpha-d-ribofuranosyl)adenosine 5'-(dihydrogen phosphate)
+C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O	V3M	2-deoxy-2-fluoro-alpha-d-arabinofuranose
+c1cc(ccc1C=O)C(=O)NCC2CCOCC2	V3N	4-methanoyl-~{n}-(oxan-4-ylmethyl)benzamide
+c1cc(ccc1S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)S)O)O)I	V3P	4-iodophenyl 1,4-dithio-beta-d-glucopyranoside
+COc1cccc(c1)CNC(=O)c2ccc(cc2)C=O	V3Q	4-methanoyl-~{n}-[(3-methoxyphenyl)methyl]benzamide
+CC(C)n1cnnc1c2cccc(n2)NC(=O)[C@H]3CCCCO3	V3S	(2r)-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide
+Cn1ccnc1CNC(=O)c2ccc(cc2)C=O	V3T	4-methanoyl-~{n}-[(1-methylimidazol-2-yl)methyl]benzamide
+CC1=C([C@@H](N=C(N1)Nc2nc3ccc(cc3o2)F)c4ccccc4Cl)C(=O)Nc5cc(ccn5)C(=O)O	V3V	2-({(4r)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid
+COC1CCN(CC1)C(=O)c2ccc(cc2)C=O	V3W	4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde
+CC(C)S(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O	V3Z	(5-methanoyl-2-nitro-phenyl) propane-2-sulfonate
+[H]/N=C(/[C@H](C(=O)N)/N=N/c1ccccc1)\N	V41	(2r,3z)-3-amino-3-imino-2-[(e)-phenyldiazenyl]propanamide
+Cn1cc(cn1)S(=O)(=O)Oc2cc(ccc2[N+](=O)[O-])C=O	V42	(5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate
+Cn1ccnc1C(CSC[C@@H](C(=O)O)N)c2nccn2C	V44	s-[2,2-bis(1-methyl-1h-imidazol-2-yl)ethyl]-l-cysteine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)N2CC(OC2=O)Cc3cccc(c3)Cl	V45	(2s)-2-{(5s)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-n-{(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide
+c1cc(cc(c1)C(=O)O)C(=O)CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	V47	9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-d-ribo-heptodialdo-1,4-furanosyl]-9h-purin-6-amine
+COc1cccc(c1)CC(=O)Oc2cc(ccc2[N+](=O)[O-])C=O	V48	(5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate
+c1ccc2c(c1)nc(s2)Sc3c(c(c(c(c3F)F)S(=O)(=O)N)F)F	V49	4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
+C1=CC2=[N](C=C1)[Pt+2]3([N]4=C(C=CC=C4)C5=[N]3N=C6N5C=CC=C6)[N]7=C2N8C=CC=CC8=N7	V4A	platinum(ii) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine]
+Cc1c(ccc(n1)C(F)(F)F)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O	V4B	[5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
+c1cc(ccc1Nc2nc(nc(n2)Oc3ccc4c(c3)cc[nH]4)N)S(=O)(=O)N	V4D	4-({4-amino-6-[(1h-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O	V4E	thiamine triphosphate
+c1cc(ccc1C=O)C(=O)N2CCC[C@H](C2)O	V4H	4-[(3~{r})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde
+CC[C@H](CCCOCCOC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O	V4J	2-{[(4r)-4-hydroxyhexyl]oxy}ethyl 5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoate
+c1cc(ccc1C=O)C(=O)N2CCC(CC2)CCO	V4K	4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde
+c1cc(ccc1C(C(=O)NCc2ccc3c(c2)CN(C3=O)[C@H]4CCC(=O)NC4=O)(F)F)Cl	V4M	2-(4-chlorophenyl)-n-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1h-isoindol-5-yl}methyl)-2,2-difluoroacetamide
+c1cc(cc(c1)Cl)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O	V4N	(5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate
+[O-][V]1(=O)O[V](=O)(O[V](=O)(O[V](=O)(O1)[O-])[O-])[O-]	V4O	cyclo-tetrametavanadate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5cccc6c5nccn6	V4Q	n-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
+C[C@@H]1CN2c3c4c(c(c(c(c4OCC[C@H]2CN1C(=O)C=C)Cl)c5c(cccc5F)O)F)ncn3	V4T	1-[(4r,7s)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2
+c1ccnc(c1)CNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N	V4V	7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+C([C@@H]([C@@H](C=O)O)O)C(=O)C(=O)O	V4W	4-deoxy-l-erythro-hex-5-ulosuronic acid
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCc4cccc(n4)N	V4Y	7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+C[C@@H](c1ccc(cn1)F)Nc2ncc(c(n2)Nc3cc(n[nH]3)OC(C)C)Cl	V4Z	5-chloranyl-n2-[(1s)-1-(5-fluoranylpyridin-2-yl)ethyl]-n4-(3-propan-2-yloxy-1h-pyrazol-5-yl)pyrimidine-2,4-diamine
+Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C	V50	4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide
+C1C2CC3CC1CC(C2)(C3)Nc4c(c(c(c(c4F)F)S(=O)(=O)N)F)F	V51	4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
+CCC(=O)N1CCN2c3c4c(cc(c(c4OC[C@@H]2C1)Cl)c5c(ccc6c5c[nH]n6)C)ncn3	V52	1-[(7s)-11-chloro-12-(5-methyl-1h-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCc4cccc(n4)N	V54	7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+COc1cc(ccc1O)C=O	V55	4-hydroxy-3-methoxybenzaldehyde
+CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCCC[C@H](OC(=O)N1)c2cccc(c2)Cl)CO	V56	(4s,7s,17s)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione
+c1ccnc(c1)CCNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N	V57	7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[V](=O)O)O)O)N	V5A	adenosine-5'-vanadate
+COS(=O)(=O)O	V5B	methyl sulfate
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCCc4cccc(n4)N	V5D	7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+c1cc(cc(c1)Nc2ncc(c(n2)NCCc3cnc[nH]3)Br)CN4CCOCC4	V5E	5-bromo-4-n-[2-(1h-imidazol-5-yl)ethyl]-2-n-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CCc4cccc(n4)N	V5G	7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine
+Cc1cc(c(cc1c2cc3c(nc2)C(=O)N(N=C3)C)NC(=O)c4cccc(c4)C(C)(C)C#N)F	V5J	3-(2-cyanopropan-2-yl)-n-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide
+COc1cc(ccc1O)/C=C/c2cc(cc(c2O)OC)/C=C/C(=O)O	V5M	(2e)-3-{4-hydroxy-3-[(e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoic acid
+c1c([nH]cn1)[C@H]([C@@H](C(=O)O)N)O	V5N	(2s,3s)-2-azanyl-3-(1h-imidazol-5-yl)-3-oxidanyl-propanoic acid
+COc1cc(ccc1O)/C=C/c2ccc(c(c2)OC)O	V5P	lignostilbene
+COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)n4nc(nn4)c5cc(c(cc5NC(=O)C6CC(=O)c7ccccc7O6)OC)OC	V5Q	~{n}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{h}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide
+c1cc(ccc1NCCO)Br	V5S	2-[(4-bromophenyl)amino]ethan-1-ol
+c1nc2c3c(n1)n(cn3)[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@](=O)(O[C@@H]6[C@@H](CO[P@@](=O)(O5)S)O[C@H]([C@@H]6F)n7cnc8c7ncnc8NC/C=C/CN2)S)F	V5V	(1r,3r,15e,28r,29r,30r,31r,34r,36r,39s,41r)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name)
+c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	V5W	4-(cyclopentylamino)-2-[(2,5-dichlorophenyl)methylamino]-n-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
+Cc1c(c2cc(ccc2[nH]1)OC)CC(=O)N[C@H](CCCCCC(=O)NO)C(=O)NCCc3c4ccccc4[nH]c3c5ccccc5	V5X	(2r)-n~8~-hydroxy-2-{[(5-methoxy-2-methyl-1h-indol-3-yl)acetyl]amino}-n~1~-[2-(2-phenyl-1h-indol-3-yl)ethyl]octanediamide
+C[N+](C)(C)c1ccc(cc1)N2C(=N/C(=C\c3cc(c(c(c3)OC)O)OC)/C2=O)/C=N\O	V5Z	dmhbo+
+C(c1c(c(c(c(c1F)F)I)F)F)[C@@H](C(=O)O)N	V61	2,3,5,6-tetrafluoro-4-iodo-l-phenylalanine
+Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCCC3)C(=O)NCCCN4CCOC4=O)Br	V62	2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-n-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
+c1ccc(cc1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3	V63	[(1r,5s)-8-azabicyclo[3.2.1]octan-3-yl] benzoate
+CC(C)(C)OC(=O)N[C@H]1CCc2nnc(o2)CCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC1=O)CC3CCCCC3)CO	V64	tert-butyl [(4s,7s,10s)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate
+c1cc(ccc1CN(c2nc(nc(n2)N3CCOCC3)C(=O)N)C4CCCCC4)Cl	V65	4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
+CC(C)(C)OC(=O)N[C@H]1CCc2nnc(o2)CCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC1=O)CC3CCCCC3)CO	V66	tert-butyl [(4s,7s,10s)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate
+c1cc(nnc1C(=O)Nc2cc(c(cc2C(=O)O)F)F)n3ccnc3	V67	4,5-difluoro-2-{[6-(1h-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid
+CC(C)COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N	V68	1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
+CCCCC[C@@H]1CCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)O1)CC(C)C)CO	V69	(4s,7s,17r)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione
+c1cnc(cn1)NNC(=O)CCn2cnc(n2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F	V6A	selinexor, bound form
+Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Br	V6B	2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-n-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
+C[C@H]1C/C(=C/C=C\C(=O)O[C@@H](Cc2nc(cs2)CC[C@H](CC(=O)O1)N)/C=C(\C)/C=C/C(=C/CN(C)C)/C)/C	V6D	(3s,6z,8e,11s,15r)-15-amino-3-[(1e,3e,5e)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione
+c1cc(c(cc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl)Cl	V6E	4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-n-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
+CC(=O)N1C[C@@H](C[C@H]1C(=O)NC)O	V6F	(4r)-1-acetyl-4-hydroxy-n-methyl-l-prolinamide
+Cc1cc(cc(c1F)C)n2c(c3c(n2)CCN([C@H]3C)C(=O)c4cc5cc(ccc5n4[C@]6(C[C@@H]6C)C7=NOC(=O)N7)[C@H]8CCOC(C8)(C)C)N9C=CN(C9=O)c1ccc2c(c1F)cnn2C	V6G	3-[(1s,2s)-1-(5-[(4s)-2,2-dimethyloxan-4-yl]-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4h)-one
+c1cc(c(cc1F)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)F	V6H	2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-n-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
+Cc1cccc2c1[nH]c(c2c3ccccc3)C(=O)O	V6M	7-methyl-3-phenyl-1h-indole-2-carboxylic acid
+c1ccc(cc1)Oc2cccc(c2)O	V6P	3-phenoxyphenol
+c1cc(cc(c1)Oc2ccc(cc2)C(=O)O)O	V6S	4-(3-hydroxyphenoxy)benzoic acid
+CC1=N/C(=C\c2cc(c(c(c2)OC)O)OC)/C(=O)N1c3ccc(cc3)[N+](C)(C)C	V6T	dmhbi+
+Cc1c2cc(ccc2[nH]c1C(=O)O)Br	V6V	5-bromo-3-methyl-1h-indole-2-carboxylic acid
+c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)OCc4cccc(c4)Oc5ccc(cc5)C(=O)O	V6Y	3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1h-indole-2-carboxylic acid
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CN)F)O)N)O)O)N	V71	(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-galactopyranoside
+c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)COCc4cccc(c4)Oc5ccc(cc5)C(=O)O	V74	3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1h-indole-2-carboxylic acid
+CC(=O)O[C@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)O)C(=O)O	V75	(2~{s},3~{s},4~{s},5~{s})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid
+CCCCCCC[C@@H](c1ccc(cc1)Cl)OCC(=O)O	V77	{[(1s)-1-(4-chlorophenyl)octyl]oxy}acetic acid
+CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)[C@@H]4CC=S=C4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	V78	methyl n-[(2s)-1-[2-[[4-[(3s)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3z,8s,11r)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)CN(C)OC	V7A	sarecycline
+CC(C)CCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)OC(=O)CCCCCCCCCCC(C)C	V7B	[(2~{s})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-5-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(12-methyltridecanoyloxy)propyl] 12-methyltridecanoate
+CCC(C(=O)NCC(=O)O)O[P@@](CCC(C(=O)O)(N)N)Oc1ccccc1	V7D	2,2-diamino-4-[(s)-({(2s)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](c2nc3ccccc3s2)O)NC(=O)c4cc5c([nH]4)cccc5OC	V7G	n-[(2s)-1-({(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+c1ccc(cc1)CNC(=O)c2ccccc2CNCc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	V7H	(2s)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(phenylmethyl)carbamoyl]phenyl]methylamino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1cc(c2c(c1[N+](=O)[O-])non2)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	V7K	(2~{s})-2-azanyl-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+Cc1cc(cc(c1)F)C	V7M	1-fluoro-3,5-dimethylbenzene
+C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\C=C\C=C(/C)\C=C\CC(C)(C)OC)/C=O)\C)/CC/C=C(\C)/C=C/C=C(\C)/C(=O)O	V7N	(2~{e},4~{e},6~{e},10~{e},12~{e},14~{e},16~{e},18~{e},20~{e},22~{z},24~{e},26~{e},28~{e})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid
+O=[V](=O)O([V](=O)O[V](=O)(=O)O[V](=O)(=O)[O@@]([V](=O)=O)[V](=O)(=O)=O)[V](=O)(=O)=O	V7O	meta vanadate
+c1cc2c(cc1F)c(ccn2)C[C@@H](C=O)N	V7P	(2s)-2-amino-3-(6-fluoroquinolin-4-yl)propanal
+c1cc(c2c(c1)nsn2)CN	V7Q	2,1,3-benzothiadiazol-4-ylmethanamine
+CSCc1cccc(c1)CSC	V7S	1,3-bis[(methylsulfanyl)methyl]benzene
+[H]/N=C(\N)/N[C@H](CCCCN)C(=O)O	V7T	(2r)-6-azanyl-2-carbamimidamido-hexanoic acid
+c1cc(cc(c1)c2[nH]nnn2)c3cccc(c3)C(=O)O	V7V	3-[3-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid
+c1cc(sc1)[C@H]2N[C@@H](CS2)C(=O)O	V7W	(2s,4r)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
+C[C@@H](C1=Cc2cccc(c2C(=O)N1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N	V7Y	2-amino-n-[(1s)-1-{8-[(1-methyl-1h-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+C[C@@H](C1CC1)N2Cc3cc(cc(c3C2=O)C(F)(F)F)c4ccn5c(n4)c(c(n5)N)c6cnn(c6)C	V81	5-[2-amino-3-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1s)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1h-isoindol-1-one
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)OCn4cc(nn4)CNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O)NC(=O)c7cccc(c7O)O	V82	[4-[[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{s})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate
+Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4ccn5c(n4)c(c(n5)N)C(=O)NC6CC(C6)O	V84	2-amino-5-{2-[(1s)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1h-isoindol-5-yl}-n-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(cc1)C[C@H](C(=O)Nc2ccccc2)S	V85	(2r)-n,3-diphenyl-2-sulfanyl-propanamide
+c1ccc(cc1)CCCCNC=O	V87	n-(4-phenylbutyl)formamide
+c1c2c3c4c(cc(c3C(=O)N(C2=O)CCCN5CCOCC5)NCCCN6CCOCC6)C(=O)N(C(=O)c4c1NCCCN7CCOCC7)CCCN8CCOCC8	V8A	2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
+Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O	V8B	6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{h}-pyrrolo[1,2-a]pyrazin-1-one
+CCOC(=O)c1cncn1[C@H](C)c2ccccc2	V8D	ethyl 1-[(1r)-1-phenylethyl]-1h-imidazole-5-carboxylate
+CCCCC1CCC(CC1)C(=O)O	V8G	trans-4-butylcyclohexane-1-carboxylic acid
+C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)O)O)O)O)O	V8H	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonyl-4~{h}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+C[C@H](CC/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O	V8K	dolichylphosphate
+c1cc(c(cc1N(=O)=O)CCNC(=O)CCCC[C@H]2[C@@H]3C(CS2)NC(=O)N3)O	V8M	n-[2-(2-hydroxy-5-nitrophenyl)ethyl]-5-[(3as,4s,6as)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+c1cc(cc(c1)CN)CC(=O)O	V8N	2-[3-(aminomethyl)phenyl]ethanoic acid
+CCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCC)O)O	V8P	(3r)-n-[(2s,3r)-1-(alpha-d-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide
+C1C[C@H](NC1)[C@H](N)O	V8W	(r)-azanyl-[(2s)-pyrrolidin-2-yl]methanol
+c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCC(=O)O	V8Y	7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid
+C/C/1=C\CC(C=CC/C(=C/CC1)/C)(C)C	V8Z	(1e,4e,8e)-2,6,6,9-tetramethyl-1,4-8-cycloundecatriene
+C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F	V90	2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
+c1cc(sc1C(=O)N2CC(C2)c3nccs3)NC(=O)[C@@H]4CCCN4	V91	n-(5-{3-[(2s)-1,3-thiazolidin-2-yl]azetidine-1-carbonyl}thiophen-2-yl)-l-prolinamide
+COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3	V95	methyl n-(6-benzoyl-1h-benzimidazol-2-yl)carbamate
+c1cc(sc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	V97	n-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-l-glutamic acid
+c1ccc(cc1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5	V98	~{n}4-[(4-chlorophenyl)methyl]-~{n}4-cyclopentyl-~{n}1-(phenylmethyl)-~{n}1-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide
+c1cc(oc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	V9A	n-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-l-glutamic acid
+CCC(=O)c1cc([nH]c1)C(=O)NC	V9B	n-methyl-4-propanoyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)CCNC(=O)O	V9C	2-phenylethylcarbamic acid
+c1cc(cc(c1)C(=O)NO)C(=O)NO	V9D	n~1~,n~3~-dihydroxybenzene-1,3-dicarboxamide
+CN1C=[N](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OC)O)O)O	V9G	7-methyl-guanosine-5'-triphosphate-5'-(2'-o-methyl)-adenosine
+C[C@@H](c1ccccc1)n2c(cc(n2)C(=O)NC)C(=O)NC3CCC(CC3)O	V9H	3n-methyl-5n-(4-oxidanylcyclohexyl)-1-[(1s)-1-phenylethyl]pyrazole-3,5-dicarboxamide
+c1cc(ccc1c2c3ccc(cc3sc2Oc4ccc(cc4)O)O)F	V9J	3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol
+C[C@@H](c1ccccc1)c2c(cc(o2)C(=O)NC)C(=O)NC3CCC(CC3)O	V9K	2n-methyl-4n-(4-oxidanylcyclohexyl)-5-[(1s)-1-phenylethyl]furan-2,4-dicarboxamide
+C[C@@H](CC[NH+](C)[C@@H](C(C)C)C(=O)O)CC(C)(C)C	V9M	(3r)-n-[(1s)-1-carboxy-2-methylpropyl]-n,3,5,5-tetramethylhexan-1-aminium
+C[C@]1(COc2c1cc(cc2C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4)c5ccccc5	V9N	(3s)-n7,3-dimethyl-n5-[(1r,5s)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2h-1-benzofuran-5,7-dicarboxamide
+CNC(=O)c1cc(cc2c1OC[C@H]2c3cccc4c3cc[nH]4)C(=O)NC5[C@H]6[C@@H]5COC6	V9Q	(3s)-3-(1h-indol-4-yl)-n7-methyl-n5-[(1r,5s)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
+c1ccc(cc1)CCOc2ccc(nc2C(=O)O)c3ccc4c(c3)/C(=N/Nc5nc(cs5)C(=O)NCc6ccccc6)/CCC4	V9S	6-[(8e)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid
+CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(cc3O)CN4CC5([C@@H]4C6CC6)CCC5)O	V9T	4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3r)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide
+c1cc(sc1CCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	V9V	n-(5-{3-[(1s,7r,8r,9s)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-l-glutamic acid
+CC1(CCN(CC1)Cc2ccc3c(c2)nc([nH]3)C[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C	V9W	(3~{r})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{h}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol
+c1cc(oc1C(=O)NO)C(=O)NO	V9Y	n~2~,n~5~-dihydroxyfuran-2,5-dicarboxamide
+Cc1cc(cc(c1OC)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC	V9Z	n-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide
+CCCCCC\C=C/CCCCCCCCCCOC(=O)C	VA	(z)-octadec-11-enyl acetate
+B(c1cc2cc(ccc2s1)CN(C=O)C=O)(O)O	VA1	{5-[(diformylamino)methyl]-1-benzothien-2-yl}boronic acid
+[O-]=[V]([O])(O[V](=O)=O)O[V](=O)=O	VA3	trivanadate
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O)N	VA4	5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@H](O3)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O)N	VA5	9-{5-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-d-threo-pentofuranosyl}-9h-purin-6-amine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O)N	VA6	9-{2-deoxy-5-o-[(s)-{[(s)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-erythro-pentofuranosyl}-9h-purin-6-amine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N	VA7	2'-deoxy-5'-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
+CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5cccc6c5[nH]cn6)O)C	VA8	~{n}-[[(3~{r})-1-[6-(3~{h}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide
+CC(C)[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	VAA	n-[valinyl]-n'-[adenosyl]-diaminosufone
+C=CCSc1nc2ccc(cc2s1)NC(=O)CCC(=O)O	VAB	4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid
+c1ccc(cc1)C[C@H](CC(C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	VAC	n,n-bis(2-hydroxy-1-indanyl)-2,6- diphenylmethyl-4-hydroxy-1,7-heptandiamide
+CC(C)[C@H](C(=O)O)O	VAD	deaminohydroxyvaline
+c1ccc(cc1)/C=C(\C(=O)O)/Oc2cccc(c2O)C(=O)O	VAE	3-{[(e)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid
+CC(C)[C@@H](C(=O)C)N	VAF	methylvaline
+CC[C@H]([C@@H](C(=O)O)N)O	VAH	(3r)-3-hydroxy-l-norvaline
+CC(C)[C@@H](C(O)O)N	VAI	(2s)-2-amino-3-methylbutane-1,1-diol
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O	VAJ	[1,1'-biphenyl]-3,4'-dicarboxylic acid
+CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O)O	VAK	methyl (1r,2r,4s)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
+CC(C)[C@@H](C(=O)O)N	VAL	valine
+CC(C)[C@@H](C(=O)[O-])[NH-]	VAL_LEO2	l-valine c-terminal deprotonated fragment
+CC(C)[C@@H](C(=O)O)[NH-]	VAL_LEO2H	l-valine c-terminal protonated fragment
+CC(C)[C@@H](C(=O)O)N	VAL_LFOH	l-valine free neutral
+CC(C)[C@@H](C(=O)[O-])[NH3+]	VAL_LFZW	l-valine free zwitterion
+CC(C)[C@@H]([C-]=O)[NH-]	VAL_LL	l-valine - linking embedded fragment
+CC(C)[C@@H]([C-]=O)[NH3+]	VAL_LSN3	l-valine n-terminal protonated fragment
+c1cc(c(cc1C#N)c2cc(ccn2)C(=O)O)O	VAO	2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid
+CC1=CC(=O)N(c2c1cc(c(c2OC)OC)OC)C	VAP	6,7,8-trimethoxy-1,4-dimethylquinolin-2(1h)-one
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4O)CN5CC6([C@@H]5C7CC7)CCC6)O	VAQ	4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-n-[[(3r)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+c1cnc(n2c1c(c3c2nccc3O)c4ccnc(n4)N)N	VAR	9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol
+CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O	VAS	(2s,4s,5s)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)CCCC6)O	VAT	4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+C[C@]1(C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O)O	VAU	(1~{r},3~{r},4~{s},5~{r})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid
+COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CCNCCc2c[nH]c3c2cccc3)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	VAW	(2s,3r,4s)-methyl 4-(2-(2-(1h-indol-3-yl)ethylamino)ethyl)-2-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-3-vinyl-3,4-dihydro-2h-pyran-5-carboxylate
+C[C@@](c1cccc(n1)Br)(c2cc(sc2)C(=O)c3cncnc3N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N)O	VAY	{(1r,2r,3s,4r)-4-[(5-{4-[(1s)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate
+CS[C@@H]([C@H](C(=O)O)OC(=O)[C@H](C[S@H]=O)NC(=O)CCC[C@@H](C(=O)O)N)O	VAZ	n^6^-{(1r)-2-{[(1s,2r)-1-carboxy-2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-1-[(oxidosulfanyl)methyl]-2-oxoethyl}-6-oxo-l-lysine
+CC[C@@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	VB1	n^6^-[(1r)-2-{[(1s)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine
+CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@]3(CCCN(C3)c4cc(ncn4)NC)O)C	VB2	4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{n}-[[(3~{s})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide
+C[C@@H](CC1CCCCC1)NCc2ccccc2O	VB3	2-({[(2s)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](Cc2c[nH]c3c2cccc3)C(=O)O)O	VB4	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-d-tryptophan
+CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C	VB5	4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{n}-[[(3~{r})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide
+c1ccc2c(c1)CCO[C@H]2c3cc(sc3)C(=O)c4cncnc4N[C@@H]5C[C@@H]([C@H](C5)O)COS(=O)(=O)N	VB7	{(1r,2s,4r)-4-[(5-{4-[(1r)-3,4-dihydro-1h-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate
+CC1(CCN(CC1)Cc2ccc(c(c2)SC)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C	VB8	4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+c1ccc(cc1)Cn2ccc(n2)C(=O)c3cncnc3N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N	VBA	[(1r,2r,3s,4r)-4-{[5-(1-benzyl-1h-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)N	VBC	3-(4-aminophenyl)benzoic acid
+C[C@H]1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C	VBD	(7s)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+CC1=CC(=CN(C1=O)C)C(=O)N(C[C@@H](C)c2ccccc2)CC(=O)NC	VBE	1,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-n-[(2s)-2-phenylpropyl]pyridine-3-carboxamide
+CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)OCc4c(cccc4F)C#N)S(=O)(=O)c5ccc(cc5)F	VBG	2-({[2-(4-{(3r)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile
+CC1=CC(=CN(C1=O)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC	VBH	n-(2,2-diphenylethyl)-1,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide
+CC1=C([C@H](N2C(=N/C(=N/C(=O)OC)/N2)N1c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C#N	VBM	methyl {(7r)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}carbamate
+C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)NCCCN(CCCNC(=O)c3cccc(c3O)O)C(=O)[C@@H]4[C@H](OC(=N4)c5cccc(c5O)O)C	VBN	(4s,5r)-n-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-n-[3-({[(4s,5r)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
+c1cc(ccc1CN2C(=O)C=CN(C2=O)C[C@H](C(=O)O)N)C(=O)O	VBP	4-({3-[(2r)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)benzoic acid
+CCn1c2c(c(ncn2)c3ccc4c(c3)[C@](C(=O)N4)(C)Cc5ccccc5)nc1c6cnc(nc6)C	VBS	(3s)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9h-purin-6-yl]-3-methyl-1,3-dihydro-2h-indol-2-one
+c1cc(ccc1c2ccc(cc2)S(=O)(=O)O)S(=O)(=O)O	VBV	[1,1'-biphenyl]-4,4'-disulfonic acid
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)C=C	VBY	5-(acryloylamino)-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide
+c1ccc(cc1)C[N@]2C[C@]3([C@H](C[C@@H]2[C@H]([C@H]3O)O)CO)O	VBZ	(1r,4r,5r,7r,8r)-2-benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol
+COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccc(cc3)F)Cl)O)O	VC1	methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate
+CC1([C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O)C	VC2	(3s,5s,7ar)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
+c1cc(ccc1c2cc[nH]n2)[N+](=O)[O-]	VC3	3-(4-nitrophenyl)-1h-pyrazole
+COC(=O)c1c(cc(c(c1CCc2cccnc2Cc3ccccc3)Cl)O)O	VC4	methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate
+COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccccc3)Cl)O)O	VC5	methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate
+C1[C@@H]([C@@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O	VC6	4-amino-1-{5-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-l-threo-pentofuranosyl}pyrimidin-2(1h)-one
+CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O	VC7	5'-o-[(r)-hydroxy(methyl)phosphoryl]guanosine
+C1[C@@H]([C@@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O	VC8	4-amino-1-{2-deoxy-5-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-l-threo-pentofuranosyl}pyrimidin-2(1h)-one
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O	VC9	2'-deoxy-5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+CCCCCCC=CCCCCCCCCCC(=O)O	VCA	vaccenic acid
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C	VCD	4-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1h-indole
+c1cc(c(c(c1)O/C(=C/C2CC2)/C(=O)O)O)C(=O)O	VCE	3-{[(e)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid
+CCCCCCCC/C=C/CCCCCCCC(=O)OCCOC[C@@H]([C@@H]1[C@@H](C[C@@H](O1)OCCO)OCCO)OCCO	VCG	2-hydroxyethyl 2-deoxy-3,5-bis-o-(2-hydroxyethyl)-6-o-(2-{[(9e)-octadec-9-enoyl]oxy}ethyl)-alpha-l-xylo-hexofuranoside
+CC(=O)N1Cc2cc(ccc2[C@@H]1C(=O)Nc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)C	VCH	(1~{r})-2-ethanoyl-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide
+c1cc(ccc1F)[P+](c2ccc(cc2)F)(c3ccc(cc3)F)c4ccc(cc4)F	VCJ	tetrakis(4-fluorophenyl)phosphanium
+CCS(=O)(=O)c1ccc(cc1)[C@@H](CC(=O)NC)C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O	VCK	(2~{r})-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{n}'-methyl-butanediamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C[C@H]2c3ccccc3NC2=O)C(=O)O)O	VCP	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@H]2c3ccccc3NC2=O)C(=O)O)[O-]	VCS	4-[(e)-({1-carboxy-2-[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
+CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CNC6)C	VCV	n-(6-{5-[(azetidin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-1-[1,1-di(pyridin-2-yl)ethyl]-1h-indol-4-yl)ethanesulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H](CO)O)O)O)O)S(=O)(=O)O	VCW	[(2s,3s,4s,5r,6s)-6-[(2r)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
+COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)OC	VCY	[2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
+CC[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	VD1	5-{2-[1-(1-methyl-propyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methylene-cyclohexane-1,3-diol
+CC1[C@@H](CC(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)C[C@H]1O)O	VD2	5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methyl-cyclohexane-1,3-diol
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C	VD3	(1s,3z)-3-[(2e)-2-[(1r,3ar,7as)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethyli dene]-4-methylidene-cyclohexan-1-ol
+C/C(=C/1\CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O	VD4	(1r,3r,7e,17z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol
+C/C(=C\1/CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O	VD5	(1r,3r,7e,17e)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol
+CC(C)(C)c1cc(cc(c1)S(=O)(=O)N)C(C)(C)C	VD8	3,5-di~{tert}-butylbenzenesulfonamide
+CCCSc1ccc(cc1)S(=O)(=O)N	VD9	4-(propylsulfanyl)benzenesulfonamide
+CCC(CC)(CS[C@@H](C)C1=CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O	VDA	(1r,2r,3r,5z)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol
+CCC(CC)(CS[C@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O	VDB	(1r,2s,3r,5z,7e)-17-{(1r)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC2CCC(CC2)(F)F	VDJ	[4,4-bis(fluoranyl)cyclohexyl]methyl ~{n}-[(2~{s})-1-[[(1~{r},2~{s})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
+C1C[C@@H](C[C@H](C1)[NH3+])C(=O)O	VDK	[(1s,3s)-3-carboxycyclohexyl]azanium
+C[C@H]([C@H](C(=O)O)N)N	VDL	(2r,3r)-2,3-diaminobutanoic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)CO	VDM	(1s,2s,3r,6s)-4-(hydroxymethyl)-6-{[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol
+CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C	VDN	2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1h)-one
+C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)COP(=O)(O)O	VDO	[(1r,2r,3s,4s,5s)-2,3,4-trihydroxy-5-{[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]methyl dihydrogen phosphate
+C[C@H](C[C@H]1C[C@@](C(=O)N1CCCCc2ccccc2)(C)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C/5\C[C@H](C[C@@H](C5=C)O)O)C	VDP	(3r,5s)-5-[(2r)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[(2z)-2-[(3s,5r)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(4-phenylbutyl)pyrrolidin-2-one
+c1cc(ccc1N)N2CCOCC2	VDQ	4-morpholin-4-ylaniline
+C([C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O	VDS	beta-d-allofuranose
+C([C@H]([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O)O	VDV	alpha-d-allofuranose
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+]	VDW	[(2~{s})-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	VDX	5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](CCC3=C)O)C	VDY	3-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexanol
+C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	VDZ	5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methylene-cyclohexane-1,3-dio l
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@]2(c3ccccc3NC2=O)O)C(=O)O)[O-]	VE4	4-[(e)-({1-carboxy-2-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
+CNC(=O)c1cc(n(n1)Cc2ccccc2)C(=O)NC3CC3	VE5	n5-cyclopropyl-n3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
+COc1ccc(cc1)c2c(c3ccc(cc3o2)c4cccc(c4)OC)CC(=O)O	VE7	[6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
+Cc1c2cc3[n+]4c([o+]c5c(c(c6n5[Fe@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C	VEA	5-oxa-protoporphyrin ix containing fe
+C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	VEB	[oxidanyl-[(2~{s},3~{s},5~{r},6~{s})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid
+COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)C(=O)O	VED	3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)NCCCCCCCCN=[N+]=[N-]	VEE	(1r,2s,3r,4s,5r,6r)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCC(=O)OCC	VEG	ethyl n-[(2r)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate
+Cc1c(sc(n1)Nc2cccc(n2)C(=O)NCCCN(C)C)c3cc4c(c(c3)S(=O)(=O)NC)C(=O)N(C4)[C@@H](C)C5CC5	VEH	6-[[5-[2-[(1s)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-n-[3-(dimethylamino)propyl]pyridine-2-carboxamide
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCCOC	VEJ	n-(4-tert-butylphenyl)-n-[(1r)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5cncn5C)Br	VEK	6-bromo-2-(1-methyl-1h-imidazol-5-yl)-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl}-1h-imidazo[4,5-b]pyridine
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCOC	VEM	n-(4-tert-butylphenyl)-n-[(1r)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+Cc1c(sc(n1)Nc2cccc(n2)N3CCCC3=O)c4cc5c(c(c4)S(=O)(=O)C)C(=O)N(C5)[C@@H](C)C6CC6	VEN	2-[(1s)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3h-isoindol-1-one
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC3CCOCC3	VEP	n-(4-tert-butylphenyl)-n-[(1r)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4ccc(cc4)CN(C)C)C(=O)N(C3)[C@@H](C)C5CC5	VEQ	n-[5-[2-[(1s)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
+Cc1c2n3c(c1C=C)[O+]=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5)C(=C8CCC(=O)O)C)C=C)C	VER	iron-octaethylporphyrin
+C1CCNC1	VES	pyrrolidine
+C[C@]1(C(=O)NC(=O)N1[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(O)O)O	VET	[(1r,2s,4r)-2-hydroxy-4-[(5r)-5-hydroxy-5-methyl-2,4-dioxo-imidazolidin-1-yl]cyclopentyl]methyl dihydrogen phosphate
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC	VEV	n-(4-tert-butylphenyl)-n-[(1r)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4cccc(c4)S(=O)(=O)C)C(=O)N(C3)[C@@H](C)C5CC5	VEW	n-[5-[2-[(1s)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCC	VEY	n-(4-tert-butylphenyl)-n-[(1r)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@@H]2c7ccccc7)OC	VF1	(2r,3s,3ar,5ar,6r,11br,11cs)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1h-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol
+CN(C)c1ccc(cc1)/C=C/c2cc[n+](cc2)CCCCCCCCl	VF2	4-[(e)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-n,n-dimethyl-aniline
+C[C@@H]1CCC[C@H](C1)O	VF4	(1r,3s)-3-methylcyclohexan-1-ol
+COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4	VFA	n-[(3-methoxyphenyl)methyl]-5h-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
+c1ccc2c(c1)[nH]c3[n+]2nc[nH]3	VFB	3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium
+C[C@H](C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)F	VFC	n-[(2r)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+COc1ccc2c(c1OCc3ccccc3)C[C@H](N(C2)C(=O)C(c4ccccc4)c5ccccc5)C(=O)O	VFD	olodanrigan
+CNC(=O)CN(Cc1ccc(cc1)n2cncn2)C(=O)CSc3ccccc3Cl	VFE	2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-n-methyl-ethanamide
+CCC(=O)Nc1nnc(s1)S(=O)(=O)N	VFG	n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
+CCCC(=O)Nc1nnc(s1)S(=O)(=O)N	VFJ	n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
+CC(C)C(=O)Nc1nnc(s1)S(=O)(=O)N	VFM	2-methyl-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
+c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3nnc(o3)N)Cl	VFN	~{n}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]ethanamide
+Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c4ccoc4ccn3	VFP	6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1h,3h)-dione
+COc1cc(ccc1c2c[nH]nc2)C(=O)N[C@H](CO)c3ccccc3	VFS	n-[(1s)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1h-pyrazol-4-yl)benzamide
+c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3c[nH]cn3)Cl	VFT	2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-(1~{h}-imidazol-4-ylmethyl)ethanamide
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F	VFV	n-[(1r)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1h-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
+CCc1ccccc1OCC(=O)N(Cc2ccc(cc2)n3cncn3)CC(=O)NC	VFW	2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{n}-methyl-ethanamide
+CC1=C([C@H](C(=C(N1)C)[N+](=O)[OH-])c2ccccc2C(F)(F)F)C(=O)OC	VFY	methyl (4~{r})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
+c1ccc(c(c1)SCC(=O)N(Cc2nnc(o2)N)CC3=CNC(=O)C=C3)Cl	VFZ	~{n}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{n}-[(6-oxidanylidene-1~{h}-pyridin-3-yl)methyl]ethanamide
+CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)CCCC(C)C)O	VG0	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O	VG1	alpha-d-glucose-1-phosphate-6-vanadate
+Cc1cc(cc(c1OCCN)C)C(=O)Nc2cc(cc(c2)Cl)N3CCCCC3	VG2	4-(2-aminoethoxy)-n-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
+CCCCCS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CN[C@@H](C)C(=O)NC3CCCCC3)O	VG3	n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
+CCCOc1cc(cc(c1)N2C=CCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O	VG4	n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1h-pyrrol-1-yl)-5-propoxybenzamide
+CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O	VG5	 n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
+CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O	VG6	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
+CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CCCCC4)O	VG7	n-[(1s,2r)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
+CN1Cc2c(ccc(c2C1=O)Nc3c(cnc(n3)Nc4ccccc4OC)Cl)N5CCC(CC5)N6CCCCC6	VG8	4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl}amino)-2-methyl-2,3-dihydro-1h-isoindol-1-one
+CCOc1ccc(c(c1)NCc2cnc3c(c2C)c(nc(n3)N)N)OCC	VG9	6-{[(2,5-diethoxyphenyl)amino]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
+c1ccc(cc1)C2=N[C@@H](C(=Nc3c2cccc3)N4CC(C4)O)c5cccs5	VGA	1-[(3s)-5-phenyl-3-thiophen-2-yl-3h-1,4-benzodiazepin-2-yl]azetidin-3-ol
+CCC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3	VGB	(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium
+Cn1c2cc(sc2c(c1c3ccccc3)C4CCCCC4)C(=O)O	VGC	6-cyclohexyl-4-methyl-5-phenyl-4h-thieno[3,2-b]pyrrole-2-carboxylic acid
+c1cc2c(cc1Cl)[nH]c(n2)N	VGD	6-chloro-1h-benzimidazol-2-amine
+c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl	VGF	1-(3,4-dichlorobenzyl)-7-phenyl-1h-benzimidazol-2-amine
+Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N	VGG	1-tert-butyl-3-(3-methylbenzyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4	VGH	3-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1h-pyrazol-4-yl)pyridin-2-amine
+c1cc(cc(c1)Br)N2C(=O)c3cccc4c3c(ccc4NCCO)C2=O	VGI	2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione
+CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)O	VGJ	(3r,7s,11s)-3,7,11,15-tetramethylhexadecanoic acid
+COc1cc(cc(c1OC)OC)c2cc(c(nc2)N)c3ccc(cc3)C(=O)O	VGK	4-[2-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]benzoic acid
+c1cnc(cn1)C(=O)O	VGL	pyrazine-2-carboxylic acid
+COc1cc(ccc1O)c2cc(c(nc2)N)c3ccc(cc3)C(=O)N	VGM	4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)pyridin-3-yl]benzamide
+CC(=O)Nc1ccc(cc1C(=O)O)c2ccc(cc2)c3ccccc3	VGN	2-acetamido-5-(4-phenylphenyl)benzoic acid
+C[C@H]([C@H]1[C@@H]([C@H]([C@H](O1)c2ccc(c3c2c4c(cc3OC)-c5c(cc(cc5OC)C=C)[C@@H](O4)O)O)O)O)O	VGP	(1r)-1,4-anhydro-6-deoxy-1-[(6r)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6h-dibenzo[c,h]chromen-4-yl]-d-galactitol
+c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3nnc(o3)O)Cl	VGQ	2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide
+CC(C)(C)C(=O)Nc1nnc(s1)S(=O)(=O)N	VGS	2,2-dimethyl-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
+C1CCC(CC1)C(=O)Nc2nnc(s2)S(=O)(=O)N	VGV	n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
+CC(C)(c1ncc(cn1)C2CC2)NC3=CC(=O)N(c4c3cc(cc4)Nc5ccnc(c5C#N)Cl)C	VGW	2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
+C(CO)C(=O)C(=O)O	VGX	4-hydroxy-2-oxobutanoic acid
+C[C@H](c1ccccc1F)Nc2c3cc(ccc3ncc2Cl)c4cnc(nc4)C(C)(C)O	VGY	2-[5-(3-chloro-4-{[(1r)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
+c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CN	VH0	(2s,4s)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid
+c1cc2cc(cc3c2c(c1)C(=O)N(C3=O)Cc4ccc(cc4)N)S(=O)(=O)O	VH1	2-(4-aminobenzyl)-1,3-dioxo-2,3-dihydro-1h-benzo[de]isoquinoline-5-sulfonate
+c1ccc2c(c1)cccc2S(=O)(=O)Nc3nc(c(s3)Cc4ccc(cc4)Br)O	VH2	n-[5-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-yl]naphthalene-1-sulfonamide
+CC(C)(C1CCC(CC1)NC(=O)N2CCc3c(cnn3c4cccc(c4)F)C2)O	VH4	1-(3-fluorophenyl)-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide
+CN1CCN(CC1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl	VH5	2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile
+CC(C)(C1CCC(CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4)O	VH7	n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
+CNC(=O)CNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl	VH8	2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-ethanamide
+Cc1ccc2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCCO2	VHA	22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine
+Cn1cc(cn1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl	VHB	2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile
+Cc1cc(c2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCNC2=O)C	VHC	4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one
+CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2	VHD	4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)-6-(1-methylethyl)benzene-1,3-diol
+Cc1cc(c2cc1-c3cc(nc(n3)N)SCCC(=O)NCCCNC2=O)C	VHE	4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione
+CCC1=C(NC(=O)[C@H]1C)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C	VHG	3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-5-[[(3~{s})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CN1[C@H]2CS[C@H]([C@H]2N(C1=O)C)CCCCC(=O)O	VHH	5-[(3as,4s,6ar)-1,3-dimethyl-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid
+c1ccc(cc1)COC(=O)N2[C@H]3CS[C@H]([C@H]3NC2=O)CCCCC(=O)O	VHI	5-{(3as,4s,6ar)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl}pentanoic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3	VHJ	n-[(benzyloxy)carbonyl]-l-valyl-n-{(2s)-1-hydroxy-3-[(3r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl]propan-2-yl}-l-phenylalaninamide
+CCNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl	VHK	2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile
+CC(C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3	VHM	n-[(benzyloxy)carbonyl]-l-valyl-3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-alaninamide
+C[C@@H](C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl	VHN	(2s)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-propanamide
+C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2)OC(C)(C)C	VHP	n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+CN1c2ccc(cc2C=CC1=O)Nc3ccnc(c3C#N)Cl	VHQ	2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile
+C[C@@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4	VHS	3-[(1s)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
+COC(=O)CNC1=C(C(=O)N(c2c1cccn2)O)C(=O)NCc3ccc(cc3F)F	VHT	methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2	VHV	n-[(benzyloxy)carbonyl]-l-valyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+CCC1(CC/C(=C\[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H]([C@@H]([C@@H](C4=C)O)OCCCO)O)C)/C1=O)C(=O)OC	VHW	methyl (1s,3e)-3-{(2r)-2-[(1r,3as,4e,7ar)-4-{(2z)-2-[(3r,4s,5r)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1h-inden-1-yl]propylidene}-1-ethyl-2-oxocyclopentanecarboxylate (non-preferred name)
+CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC	VHY	(2r)-3-(phosphonooxy)propane-1,2-diyl dibutanoate
+C[C@H](C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl	VHZ	(2r)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-propanamide
+c1ccc(cc1)c2c(c(n(n2)c3ccccc3)C(=O)O)C(=O)O	VI	1,3-diphenyl-1h-pyrazole-4,5-dicarboxylic acid
+CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C	VIA	5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1h,6h,7h-pyrazolo[4,3-d]pyrimidin-7-one
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO	VIB	3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)C)F)O)/C	VIF	flopristin
+CC[C@H](CCC(=O)O)N	VIG	4-amino hexanoic acid
+c1ccc(cc1)c2c(c(c(o2)c3ccccc3)C(=O)O)C(=O)O	VII	2,5-diphenylfuran-3,4-dicarboxylic acid
+CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)C=NC4=O	VIN	12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12h)-one
+CCCC(=[NH2+])NCCC[C@@H](C(=O)O)N	VIO	n5-(1-imino-3-butenyl)-l-ornithine
+Cc1cc(c(c(c1S(=O)(=O)Nc2c(nn(c2C)C)C)C)C)OC	VIQ	4-methoxy-2,3,6-trimethyl-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+C[C@@H]1\C=C\C(=O)NC\C=C\C(=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)\C	VIR	virginiamycin m1
+CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)Nc2ccc(c(c2)c3ccccn3)Cl	VIS	2-chloranyl-~{n}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide
+Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C	VIT	vitamin e
+Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C	VIV	(2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]chroman-6-ol
+CCCCCCCCCCC[C@H](C[C@H](O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O	VJ1	2-deoxy-3-o-[(1r,3r)-1,3-dihydroxytetradecyl]-2-{[(3r)-3-hydroxytetradecanoyl]amino}-1-o-phosphono-alpha-d-glucopyranose
+CC(C)(c1ncccn1)NC2=CC(=O)N(c3c2cc(cc3)Nc4ccnc(c4C#N)Cl)C	VJ2	2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
+CCCCCCCC[C@H](C[C@@H](N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)O)O)OC(=O)CCCC	VJ4	2-deoxy-2-{[(1s,3r)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-o-phosphono-alpha-d-glucopyranose
+C[C@H](c1ncccn1)NC2=CC(=O)N(c3c2cc(cc3)Nc4ccnc(c4C#N)Cl)C	VJ5	2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1r)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile
+C[C@H]1/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)Nc2cc(cc(c2)OC)COC[C@@H]([C@@H]1OC)OC)\C)OC(=O)N)OC(=O)N)\C	VJ6	valerjesomycin
+CC(C)C[C@@H](C(=O)N[C@H](C[C@@H]1CCNC1=O)CO)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2	VJA	n-[(benzyloxy)carbonyl]-l-valyl-n-{(2r)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+Cc1nnc(o1)CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl	VJE	2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide
+c1cc(ccc1c2[nH]nnn2)C(=O)[C@@H]3CCC[C@H]3CC(=O)O	VJG	{(1s,2r)-2-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid
+Cc1cc([nH]n1)Nc2cc(nc(n2)Nc3ccc(cc3)CC(=O)Nc4cccc(c4)F)c5cnn(c5)CCN(C)C	VJH	2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{h}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{n}-(3-fluorophenyl)ethanamide
+c1ccc(cc1)Oc2cccc(c2)C(=O)O	VJJ	3-phenoxybenzoic acid
+CC[C@](C)(C(=O)NCC(F)(F)F)Nc1ccnc(n1)c2c[nH]c3c2cccn3	VJK	(2r)-2-methyl-2-[[2-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-n-[2,2,2-tris(fluoranyl)ethyl]butanamide
+C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(CC5)[S@](C)(N)O	VJM	4-(4-{1-[(r)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3r)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1h-pyrrolo[2,3-b]pyridine
+CC(C)Oc1ccc2c(c1)-c3ccsc3NC2=O	VJN	8-propan-2-yloxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
+c1cc(ccc1N)S(=O)(=O)N2CCCCC2=O	VJP	1-[(4-aminophenyl)sulfonyl]piperidin-2-one
+c1cc(ccc1CC(=O)O)C(=O)[C@@H]2CCC[C@H]2C(C(=O)O)C(=O)O	VJS	{(1r,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid
+CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)ccc(n3)C)NC(=O)[C@H]4CC45CCN(CC5)C)(O)O	VJV	(1s)-n-{(1s)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1h-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
+Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5cnn(c5C)C	VJZ	5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{n}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{n}-methyl-1,3,4-oxadiazol-2-amine
+C[C@@H]1COCCN1c2cc(nc(n2)SC)C3(CC3)S(=N)(=O)N	VK1	1-{6-[(3r)-3-methylmorpholin-4-yl]-2-(methylsulfanyl)pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide
+Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5c(nn(c5C#N)C)C	VK2	4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile
+CC1=CC(=O)c2ccccc2C1=O	VK3	menadione
+C[C@@H]1C[C@@H](CCN1C(=O)C2CCCC2)Oc3cc(cc(c3Cl)NC(=O)C[C@@H](CCC(=O)O)c4ccccc4)Cl	VK4	(4r)-6-[(2,5-dichloro-3-{[(2r,4r)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid
+Cc1cc(cnc1c2nnc(o2)N(C)Cc3ccc4ncc(n4c3)c5ccc(cc5)CN(C)C)c6c(nn(c6C)C)C	VK5	~{n}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{n}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine
+c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3cc(c(c4)C(C(F)(F)F)(C(F)(F)F)F)C#N)C(=O)C5CCC(CC5)C(=O)O	VK7	trans-4-[(3ar,9br)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCC(=O)NCCN4CCN(CC4)Cc5cccc(c5)c6ccc(c(c6)NC(=O)C7=C(CC(=O)N=C7)C(F)(F)F)N8CCN(CC8)C)O	VKA	3-methyl-n-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-l-valyl-(4r)-4-hydroxy-n-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-l-prolinamide
+C(COCC(=O)O)O	VKC	(2-hydroxyethoxy)acetic acid
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@H]4CCCCN4)O	VKD	cobimetinib
+c1c2c(cc3c1OCO3)OC(=O)C=C2CP(=O)(O)O	VKE	[(6-oxo-2h,6h-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid
+CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NS(=O)(=O)NC)C5CC5	VKG	n-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2h)-yl}phenyl)-n'-methylsulfuric diamide
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)[NH3+]	VKH	(1~{r},2~{r},3~{s},4~{r},5~{r},6~{r})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H]([C@H]([C@@H]4O)O)O)NC6=Nc7c(ncn7[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O)C(=O)N6	VKJ	2'-deoxy-n-[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine 5'-(dihydrogen phosphate)
+c1cc(ccc1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	VKK	p-coumaroyl glucose
+Cn1cnc2c1C(=O)N(C=N2)Cc3nc(no3)[C@H]4C[C@@H](OC4)c5ccc(cc5)F	VKM	1-({3-[(3r,5r)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6h-purin-6-one
+C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O	VKN	(1r,2s,4s,5r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
+CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)N	VKP	6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine
+CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ccc(nc4)C(=O)NC	VKQ	5-[4-[(3-ethyl-2-oxidanylidene-1~{h}-quinolin-7-yl)methyl]piperazin-1-yl]-~{n}-methyl-pyridine-2-carboxamide
+C[C@H]1[C@H](C2(CCN(CC2)c3cnc(c(n3)N)Sc4ccnc(c4Cl)N)CO1)N	VKS	(3s,4s)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
+CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ncc(n4C)C	VKT	7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{h}-quinolin-2-one
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO	VKV	2-{[(5z,8z,11z,14z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol
+Cc1cnc(n1C)N2CCN(CC2)CCCC3=Nc4c(cccc4Cl)C(=O)N3	VKW	8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{h}-quinazolin-4-one
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N)Cl)C	VKZ	4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
+CN(C)C1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6	VL1	gedatolisib
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N(=O)=O)Cl)C	VL2	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
+CN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	VL4	(2s)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+[H]/N=C(/c1ccc(cc1)OC[C@@H](C(=O)O)O/N=C(/c2csc(n2)N)\C(=O)N[C@H](C=O)C(C)(C)NOS(=O)(=O)O)\N[C@@H]3CCCNC3	VL5	(2s)-2-[(z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2s)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[n-[(3r)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO	VL7	1,3-dihydroxypropan-2-yl (9z,12z)-octadeca-9,12-dienoate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=Nc3c(nc(nc3N)N)CC2	VLA	n-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-l-glutamic acid
+CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O	VLB	(2alpha,2'beta,3beta,4alpha,5beta)-vincaleukoblastine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O	VLD	(2s)-2-({4-[({(6r)-2,4-diamino-5-[(1-{(2r,4s,5r)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name)
+CCC(=O)N1CCN2c3c4c(cc(c(c4OCC[C@H]2C1)Cl)c5c(ccc6c5c[nH]n6)C)ncn3	VLE	1-[(6as)-3-chloro-2-(5-methyl-1h-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8h-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one
+COc1cccc(c1)c2ccc(cc2)C(=O)O	VLG	3'-methoxy[1,1'-biphenyl]-4-carboxylic acid
+C[C@H]([C@@H](C(=O)O)N)N	VLL	(2s)-2,3-diaminobutanoic acid
+CC(C)[C@@H](C(=O)N)N	VLM	valinylamine
+CCCCCCCCCCCCCCCC(=O)OC(CO)CO	VLP	1,3-dihydroxypropan-2-yl hexadecanoate
+C(C(=O)O)NC(CO)(CO)CO	VLS	n-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine
+c1cc(ccc1C[C@@H](/C=C/C(=O)O)N)O	VLT	(2e,4s)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid
+Cc1c(sc(n1)NC(=O)NCCC(=O)NC(C)(C)C)c2ccc(cc2)C(=O)C	VLV	n~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-n-tert-butyl-beta-alaninamide
+C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4	VLY	1-methyl-5-phenyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CCCCCCCCCCCC(=O)OC(CO)CO	VLZ	1,3-dihydroxypropan-2-yl dodecanoate
+c1cc(sc1)c2cc(cnc2)C(=O)O	VM1	5-(2-thienyl)nicotinic acid
+C1CCC(CC1)CN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	VM2	(1r,2s,3s,4r,5r)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol
+C[C@H](c1cccc(c1)O)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4	VM4	6-{[(1r)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O	VM7	3-(3-methylsulfonylphenyl)benzoic acid
+C[C@H](c1ccccn1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4	VMA	1-methyl-5-phenyl-6-{[(1r)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CN1CCC[C@H]1CCn2cnc(c2c3ccc(c(c3)OC)O)c4ccccc4	VMC	2-methoxy-4-(1-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1h-imidazol-5-yl)phenol
+CC(C)[C@@H](C(=O)OC)N	VME	methyl l-valinate
+C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CCO	VMG	5-{4-[(z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CO	VMJ	5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CN/C(=N\O)/[C@@H]1c2c(cnn2C)[C@H](CN1C(=O)O)NOS(=O)(=O)O	VMM	etx0462 (bound form)
+c1ccc2cc(ccc2c1)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	VMP	n-[[(2r,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide
+CC(C)[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	VMS	5'o-[n-(l-valyl)sulphamoyl]adenosine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CCc3c(c(nc(n3)N)N)N2	VMV	n-[4-({[(6s)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-l-glutamic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)CCCN)O)O)N	VMX	5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine
+Cc1csc(n1)[C@@](C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O	VMY	(1s)-1-(5-{[1-(2,6-difluorobenzyl)-1h-pyrazol-3-yl]amino}-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
+[H]/N=C(\c1ccc(c(c1)OC)OCc2cn(nn2)[C@H](c3cn(nn3)CCCCN)[C@@H](C)CC)/N	VN1	4-[(1-{(1s,2s)-1-[1-(4-aminobutyl)-1h-1,2,3-triazol-4-yl]-2-methylbutyl}-1h-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide
+O=[V-](=O)=O	VN3	vanadate ion
+[O-][V](=O)=O	VN4	oxido(dioxo)vanadium
+CCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O	VND	(1s,2s,3r,4s,5s)-5-(butylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+c1ccc(cc1)[C@H](Cn2ccnc2)NC(=O)c3ccc(cc3)c4ccc(cc4)Cl	VNF	4'-chloro-n-[(1r)-2-(1h-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl	VNI	n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
+CC(=O)c1ccccc1N	VNJ	2-aminoacetophenone
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H](C(C)C)O	VNK	n-hexanoyl-l-valyl-n~1~-[(3s,4s)-3-hydroxy-2,6-dimethylheptan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide
+COc1cc(ccc1O)C(=O)[O-]	VNL	4-hydroxy-3-methoxybenzoate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O	VNM	(2s)-2-({4-[({(6s)-2,4-diamino-5-[(1-{(2r,4s,5r)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name)
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(NP(=O)(O)O)O	VNP	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonoamino)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-i um
+C/C=C(\CCO[P@](=O)(O)OP(=O)(O)O)/C[C@]12C(=O)NC(=O)N=C1N(c3cc(c(cc3N2)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	VNR	1-deoxy-1-[(4ar)-4a-[(2z)-2-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3)C(=O)N(C4)[C@H](c5cc(ccc5O)F)C(=O)Nc6nccs6	VNS	(2r)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2h-isoindol-2-yl}-n-(1,3-thiazol-2-yl)acetamide
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4cncn4)c5ccc(cc5Cl)Cl	VNT	n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
+C/C(=C\[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/c2ccc(cc2)c3ccccc3	VNY	para-biphenyl methylene c-linked mannoside
+Cc1csc(n1)Nc2c(cccn2)OCc3ccccc3	VO1	3-(benzyloxy)-n-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
+Cc1cc(c(nc1)Nc2nc(cs2)C)OCc3ccccc3	VO2	3-(benzyloxy)-5-methyl-n-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
+[O-][V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])[O-]	VO3	tetrametavanadate
+[O-][V](=O)([O-])[O-]	VO4	vanadate ion
+CN(C)CCN(C)c1cc(c(cc1NC(=O)C=C)Nc2nccc(n2)c3c[nH]c4c3cccc4)OC	VO7	n-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide
+C=Cc1ccc(cc1)CS(=O)(=O)O	VOD	(4-vinylphenyl)methanesulfonic acid
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO	VOG	(1s,2s,3r,4s,5s)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+COc1ccc(cc1OC)CO	VOH	veratryl alcohol
+Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@@H](C)c3cc(ccc3n4cccn4)F	VOJ	3-{(1s)-1-[5-fluoro-2-(1h-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1h-pyrazol-4-yl)pyridin-2-amine
+CC(C)[C@@H](CO)N	VOL	l-valinol
+C[C@@H](c1cc(ccc1n2cccn2)F)Oc3cc4cc(ccc4nc3N)C(=O)N	VOM	2-amino-3-{(1s)-1-[5-fluoro-2-(1h-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide
+C[C@@H](c1cc2c(cc1n3cccn3)cnn2CC(=O)O)Oc4cc5cc(ccc5nc4N)F	VOP	[6-{(1s)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1h-pyrazol-1-yl)-1h-indazol-1-yl]acetic acid
+C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O	VOR	voriconazole
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C)C=C)C)CCC(=O)O	VOV	harderoheme (iii)
+CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)C)Oc4ccn5c(c4)ncn5	VOY	(2e)-n-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide
+CC(C)(C#Cc1ccc2c(c1)c-3c([nH]2)CCCc4c3nc(nc4)N)O	VP7	4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol
+[H]/N=C(\Cc1ccccc1)/N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O	VPA	2-phenyl-n-(6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)ethylamidine
+c1ccc2c(c1)c3n4c2N=C5c6ccccc6C7=[N]5[Ga]48N9C(=NC1=[N]8C(=N3)c2c1cccc2)c1ccccc1C9=N7	VPC	phthalocyanine containing ga
+COC[C@](CO)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(cn2)c(nc(n3)Cl)NC4CCCC4)O)O)P(=O)(O)O	VPD	6-chloro-n-cyclopentyl-1-{5-o-[(2r)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-d-ribofuranosyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O	VPF	n-(3-carboxypropanoyl)-l-valyl-n-[(1s)-2-phenyl-1-phosphonoethyl]-l-prolinamide
+c1ccc(c(c1)CNc2c3cnn(c3nc(n2)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)COCP(=O)(O)O)O)O)Cl	VPG	6-chloro-n-[(2-chlorophenyl)methyl]-1-[5-o-(phosphonomethyl)-beta-d-ribofuranosyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc(ccc1Nc2nc(nc(n2)N)CSc3nnc(s3)NCC4CCCO4)F	VPJ	n~2~-(4-fluorophenyl)-6-{[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
+CC(C)[C@@](CC(=O)O)(C(=O)O)O	VPM	(2s)-2-hydroxy-2-(propan-2-yl)butanedioic acid
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O	VPP	(2s,4s)-2-[(r)-carboxy{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CCCC(CCC)C(=O)N	VPR	2-propylpentanamide
+c1cc(cc(c1)Oc2nc(nc(n2)Nc3ccc(cc3)C#N)N)C(=O)O	VPS	3-({4-amino-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}oxy)benzoic acid
+CCCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	VPU	[[(3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] n-phenylcarbamate
+C(CC/N=C(\C[C@@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N	VPV	(2e,4r)-2-{[(5s)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
+CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/c4ccc(cn4)c5cccc(c5)F)[C@H](OC3=O)C	VPX	ethyl [(1r,3ar,4ar,6r,8ar,9s,9as)-9-{(e)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur an-6-yl]carbamate
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SC[C@@H](CO)O	VPY	s-[(2r)-2,3-dihydroxypropyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenethioate
+CC(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N(C)C)CO	VQ1	n-acetylpuromycin
+CN1C(=CC(=NC1=O)OCc2cc(c(c(c2)F)Oc3ccc(c(c3)C(F)(F)F)Cl)F)N4CCS(=O)(=O)CC4	VQ7	6-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrimidin-2-one
+C=C(c1ccccc1)[C@@]23CC[C@H]([C@@H]2CC(=C3c4ccccc4)CCCCCCCCCC(=O)O)O	VQA	10-[(3ar,6r,6ar)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid
+c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)[C@@H]4COCCN4C(=O)c5ccc(c(c5)F)F	VQD	(3r)-3-{4-[(3r)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1h-1,2,3-triazol-1-yl}-n-hydroxy-4-(naphthalen-2-yl)butanamide
+C[C@@H](c1cn(nn1)[C@H](Cc2ccc3c(c2)CCCC3)CC(=O)NO)NC(=O)c4ccc(c(c4)F)F	VQG	3,4-difluoro-n-[(1s)-1-{1-[(2r)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1h-1,2,3-triazol-4-yl}ethyl]benzamide
+Cc1cc2c(cc1O)CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C	VQI	(e)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1h-isoquinolin-1-yl)phenyl]prop-2-enoic acid
+c1cc2ccc(cc2nc1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(c(c4)F)F	VQJ	3,4-difluoro-n-({1-[(2r)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide
+Cc1cc(c(cc1Nc2ccc3c(c2F)C(=O)N(C=N3)C)NC(=O)NCCC(C)(C)C)F	VQP	n-(3,3-dimethylbutyl)-n'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea
+C[C@H]1COCCN1c2cc(nc(n2)c3ccc(cc3)NC(=S)NCCO)C4(CC4)S(=O)(=O)C5CC5	VQS	n-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3s)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-n'-(2-hydroxyethyl)thiourea
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)OP(=O)(O)O)O	VQV	1-(3,5-di-o-phosphono-alpha-l-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione
+C[N+](C)(C)CCOP(=O)(O)OCCCCCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4	VQY	9-[(3~{a}~{r},6~{r},6~{a}~{r})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{h}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate
+CC(C)CO[P@@](=O)(C)O	VR	2-methylpropyl hydrogen (r)-methylphosphonate
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)NC	VR0	n~5~-[n-(methylcarbamoyl)carbamimidoyl]-l-ornithine
+CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)NS(=O)(=O)c4ccc(cc4)[N+](=O)[O-]	VR1	(2s)-2-({(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-2-(4-fluorophenyl)-n-[(4-nitrophenyl)sulfonyl]acetamide
+C[C@@H](CCN1CCN(C1=O)c2ccncc2)CCOc3ccc(cc3)I	VR2	1-[(3s)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O)NC(=O)OCc3ccccc3	VR4	n-{(2s,3r)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}-n~2~-[(benzyloxy)carbonyl]-l-leucinamide
+c1cc(c(cc1c2ccsc2)C(=O)O)O	VR7	2-hydroxy-5-(thiophen-3-yl)benzoic acid
+COc1cc(c(c(c1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)Nc3ccc(cc3F)I)F)F	VRA	n-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2s)-2,3-dihydroxypropyl]cyclopropanesulfonamide
+CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	VRB	phycoviolobilin, blue light-absorbing form
+CCc1c(c2c(n1Cc3ccccc3)cccc2OCC(=O)O)C(=O)C(=O)N	VRD	({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1h-indol-4-yl}oxy)acetic acid
+[H]/N=C(\NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)C)/NC(=O)NC	VRG	n~2~-acetyl-n~5~-[n-(methylcarbamoyl)carbamimidoyl]-l-ornithyl-n-methyl-l-phenylalanyl-l-aspartic acid
+CC(C)(C)S(=O)(=O)NC(=O)c1ccc(cc1c2ccc3c(c2)OC[C@@H]([C@H]3O)Cc4ccccn4)F	VRJ	n-(tert-butylsulfonyl)-4-fluoro-2-{(3s,4r)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2h-1-benzopyran-7-yl}benzamide
+Cc1cc([nH]n1)c2cccnc2	VRM	3-(3-methyl-1h-pyrazol-5-yl)pyridine
+COc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O	VRO	5-[2-(4-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@@](CO)(C(=O)O)N)O)O	VRP	myriocin
+CCCC(C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N	VRT	2'-(l-norvalyl)amino-2'-deoxyadenosine
+c1ccc(cc1)C2=C(C(=O)NC(=C2)c3cc(ccc3O)Br)C#N	VRV	6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
+CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)O	VRX	(2s)-({(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)acetic acid
+c1ccc(cc1)CNC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	VRZ	1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea
+c1ccc(cc1)C(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	VS0	n-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)N4CCOCC4	VS1	3-[[n-[morpholin-n-yl]-carbonyl]-phenylalaninyl-amino]-5- phenyl-pentane-1-sulfonylbenzene
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Cc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4	VS2	3-[n-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccc(cc2)[N+](=O)[O-])NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4	VS3	3-[n-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid 4-nitro-phenyl ester
+CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)NOCc4ccccc4	VS4	3-[[n-[4-methyl-piperazinyl]carbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid benzyloxy-amide
+c1ccc(cc1)c2c3c([nH]c2c4ccccc4)nc(nc3NC5CCCCC5)N	VS8	n4-cyclohexyl-5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	VSA	1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
+CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6	VSB	7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4	VSC	n-[n'-benzyloxycarbonyl-phenylalaninyl]-3-amino-5-phenyl-pentane-1-sulfonic acid phenyl ester
+CCCCCCCCCCCCCCCC(=O)[C@H](CO)N	VSD	3-dehydrosphinganine
+CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6	VSE	7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCOCC5	VSF	5-(4-phenoxyphenyl)-7-(tetrahydro-2h-pyran-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CN1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	VSG	7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(C)n1c2c(c(n1)c3ccc(c(c3)OC)NC(=O)OC(C)(C)C)c(ncn2)N	VSH	tert-butyl {4-[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate
+[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cc(cc3)C#N	VSI	n-{n-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1h-indol-1-yl)acetamide
+Cc1cc(c(c(c1)C)CCNC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C	VSK	(2~{s})-2-azanyl-3-(1~{h}-indol-3-yl)-~{n}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
+C=CS(=O)(=O)O	VSO	vinylsulphonic acid
+CCS(=O)(=O)Nc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)C)N	VSP	n-(3-{[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide
+c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)CNc2ccc(cc2)\C=C/3\C(=O)NC(=O)S3	VSV	n-({3-[({4-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-d-glutamic acid
+CC[C@@](C)(C#Cc1cc2c(cn1)cnn2c3ccnc(n3)N)O	VSY	(3s)-1-[1-(2-aminopyrimidin-4-yl)-1h-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol
+c1ccc(cc1)c2nc(c3ccsc3n2)NC(P(=O)(O)O)P(=O)(O)O	VT0	{[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
+c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OCC(F)(F)F	VT1	(r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol
+c1cc(ccc1COc2ccc(cc2)C=Cc3ccc(nc3)C([C@](Cn4cnnn4)(c5ccc(cc5F)F)O)(F)F)C#N	VT2	(r)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1h-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile
+Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2	VT3	8-hydroxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
+CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C	VT4	2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1h)-one
+CC(=O)C1=C(C(=O)N([C@@H]1C2CCCCC2)c3ccc(cc3F)Cl)O	VT5	(2~{r})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{h}-pyrrol-5-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O	VT6	5'-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O	VT7	5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O	VT8	5'-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+Cc1cc(n[nH]1)c2cc(ccc2O[C@@H]3C[C@@H]3c4ccc(cc4F)F)C#N	VTA	4-{[(1r,2r)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1h-pyrazol-3-yl)benzonitrile
+C([C@H]1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O	VTB	7-o-phosphono-alpha-l-galacto-hept-2-ulopyranose
+Cc1cc(n[nH]1)c2cccc(c2)Cl	VTD	3-(3-chlorophenyl)-5-methyl-1h-pyrazole
+Cc1ccc(cc1)CO	VTG	(4-methylphenyl)methanol
+[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cccc3	VTI	n-{n-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1h-indol-1-yl)acetamide
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C	VTP	(2z,6z,10z,14z,18z,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate
+CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C	VTQ	rrr-alpha-tocopherylquinone
+CC1=C[C@H](OC1=O)O	VTY	(5s)-5-hydroxy-3-methylfuran-2(5h)-one
+c1cc(ccc1CN2CCCCC2)C(=O)O	VU1	4-[(piperidin-1-yl)methyl]benzoic acid
+c1ccc(cc1)[C@@H](CN)OCc2ccc(cc2)Cl	VU2	(2s)-2-[(4-chlorobenzyl)oxy]-2-phenylethanamine
+c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3	VU3	2-(2-(4-phenylpiperidin-1-yl)ethyl)-1h-indole
+c1cc(ccc1CCN)C(=O)O	VU4	4-(2-aminoethyl)benzoic acid
+Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)NOC	VU7	6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-n-methoxy-3-methylquinoline-4-carboxamide
+CC1CCN(CC1)c2ccnc(n2)NCCc3ccccc3	VUA	4-(4-methylpiperidin-1-yl)-n-(2-phenylethyl)pyrimidin-2-amine
+C[C@@H](C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4nc3N)F	VUD	6-{(1s)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1h-pyrazol-1-yl)pyridin-2(1h)-one
+Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cccnc4	VUG	1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine
+Cc1cccc(c1)[C@@H]2CC[C@@H](C=C2)N3CCN(CC3)CC4=CNC(=O)C=C4	VUJ	5-({4-[(1r,4s)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1h)-one
+c1cc(cc(c1)C(F)(F)F)C2(CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4)O	VUM	5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1h)-one
+CCn1c2cc(ncc2nc1c3c(non3)N)C	VUP	4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
+[H]/N=C(\CS)/NCCC[C@@H](C(=O)O)N	VUR	(s)-2-amino-5-(2-mercaptoacetimidamido)pentanoic acid
+[B-](CCC[C@]12CCN[C@H]1CN[C@@H]2C(=O)O)(O)(O)O	VUS	3-[(3~{a}~{s},4~{s},6~{a}~{r})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{h}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+[B-](CCC[C@@H]1CCN[C@@H]1C(=O)O)(O)(O)O	VUV	3-[(2~{s},3~{r})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+[B-](CCC[C@]12CS[C@H]1CN[C@@H]2C(=O)O)(O)(O)O	VUY	3-[(1~{s},2~{s},5~{r})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+[B-](CCC[C@]12CN[C@H]1CN[C@@H]2C(=O)O)(O)(O)O	VV1	3-[(1~{s},2~{s},5~{r})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+[B-](CCC[C@@H]1[C@@H]2CN[C@]1(CCN2)C(=O)O)(O)(O)O	VV4	3-[(1~{r},5~{s},8~{r})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+O[V](O[V](=O)[V](O)(O)O[V](O)(O)O[V](O)(O)O)O[V](O)(O)(O)O	VV6	[[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium
+c1c(cc(cc1C(=O)N[C@@](COCc2cn(nn2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)(COCc4cn(nn4)[C]5[C]([C]([C]([C](O5)[C][O])[O])[O])[O])OCc6cn(nn6)[C@H]7C(C(C([C@H](O7)CO)O)O)O)C(=O)NC(COCc8cn(nn8)[C@@H]9[C@H]([C@@H]([C@H]([C@@H](O9)CO)O)O)O)(COCc1cn(nn1)[C@H]1C(C([C@H]([C@H](O1)CO)O)O)O)COc1[c]n(nn1)[C]1[C]([C]([C]([C](O1)[C][O])[O])[O])[O])CO	VV7	dendron-d3
+CCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN	VVA	2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate
+CC(=O)Nc1ccc(c(c1)C(=O)O)F	VVD	5-(acetylamino)-2-fluorobenzoic acid
+CCS(=O)(=O)Nc1ccccc1F	VVG	n-(2-fluorophenyl)ethanesulfonamide
+CN(C1CCCCCC1)S(=O)(=O)C	VVJ	n-cycloheptyl-n-methylmethanesulfonamide
+c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N	VVM	4-amino-n-phenylbenzene-1-sulfonamide
+O=[V+2]	VVO	oxovanadium(2+)
+COc1cccc2c1cc[nH]2	VVP	4-methoxy-1h-indole
+Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl	VVQ	5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1h-pyrrole-3-carboxamide
+CC(C)(C)CC(C)(C)c1cc(c(c(c1)Cn2ccnc2)O)Cn3ccnc3	VVS	2,6-bis(1h-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
+c1ccc(cc1)c2c(cc(nn2)Cl)c3ccncc3	VVT	6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine
+CC1=CC(=O)Nc2c1c(c(cc2OC)OC)OC	VVV	5,6,8-trimethoxy-4-methylquinolin-2(1h)-one
+CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cccc6c5cc[nH]6	VVX	6-(1h-indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1h-indazole
+c1ccc(cc1)OCC(=O)N2CCCC2	VVY	2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
+C[C@@H](C(=O)N)Oc1ccc(cc1)C#N	VW1	(2s)-2-(4-cyanophenoxy)propanamide
+C[C@H](CS(=O)(=O)N)c1ccccc1	VW4	(2s)-2-phenylpropane-1-sulfonamide
+Cc1ccc(c2c1NCCC2)NC(=O)C	VW7	n-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide
+C[C@@H](c1ccc(cc1)F)NC	VWA	(1s)-1-(4-fluorophenyl)-n-methylethan-1-amine
+CS(=O)(=O)C[C@@H](c1ccccc1)O	VWD	(1r)-2-(methylsulfonyl)-1-phenylethan-1-ol
+c1ccc2c(c1)ccc(n2)C(=O)NO	VWG	n-hydroxyquinoline-2-carboxamide
+CC(C)Nc1[nH]c2ccccc2n1	VWJ	n-(propan-2-yl)-1h-benzimidazol-2-amine
+CC(=O)N1CCC[C@@](C1)(C(=O)O)O	VWM	(3r)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid
+Cn1c2ccccc2nc1CC3=NC(=CC(=O)N3)N4CCOCC4	VWN	2-[(1-methyl-1h-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3h)-one
+[H]/N=C(/N)\NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C=CCN1C(=O)Cc2cccc3c2cccc3	VWP	n~2~-{(2s)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1h-pyrrole-2-carbonyl}-l-lysyl-l-argininamide
+Cc1c(c2cc(ccc2o1)NS(=O)(=O)c3ccc(cc3)Cl)C(=O)O	VWS	5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid
+CCOC(=O)CN1CCS(=O)(=O)CC1	VWV	ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate
+c1ccc(cc1)CSC[C@@H](C(=O)N[C@H](c2ccccc2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N	VWW	l-gamma-glutamyl-s-benzyl-n-[(s)-carboxy(phenyl)methyl]-l-cysteinamide
+CCNC(=O)c1ccc(cc1)NS(=O)(=O)C	VWY	n-ethyl-4-[(methylsulfonyl)amino]benzamide
+CCO[P@](=O)(C)O	VX	o-ethylmethylphosphonic acid ester group
+c1cc(ccc1c2c3cc(ccc3no2)c4ccnc(n4)N)Cl	VX1	4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine
+c1cc(cc(c1)C(F)(F)F)c2nnc3n2nc(cc3)NC4CCCCC4	VX2	n-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
+c1ccc(cc1)c2c3cccc(c3[nH]c2c4ccccc4)C(=O)O	VX3	2,3-diphenyl-1h-indole-7-carboxylic acid
+C[C@H]1CCCN(CC1)C(=O)c2cscn2	VX4	[(4s)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone
+Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C	VX6	cyclopropanecarboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2h-pyrazol-3-ylamino)-pyrimidin-2-ylsulfanyl]-phenyl}-amide
+CC(C)(C)c1cc(c(cc1NC(=O)C2=CNc3ccccc3C2=O)O)C(C)(C)C	VX7	n-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
+Cc1ccc(nc1c2cccc(c2)C(=O)O)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F	VX8	lumacaftor
+C[P@H](=O)[O-]	VXA	methylphosphonic acid ester group
+Cc1c(cccc1Cl)NC(=O)CN	VXD	n-(3-chloro-2-methylphenyl)glycinamide
+CC(=O)N1C[C@H]([C@@H](C1)C(=O)O)c2ccccc2	VXG	(3s,4r)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid
+c1ccc(cc1)c2c3c(n[nH]2)CCN(C3)C(=O)Nc4ccc(c(c4)Cl)F	VXJ	n-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=O)NC)O)S(=O)(=O)c4ccc(cc4)OC	VXL	(3r,3as,4r,6ar)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O	VXM	4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]c4c3cccc4	VXO	5-[(2s)-2-[[2-(1h-indol-3-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid
+c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O	VXP	4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione
+c1cc2c(cc1CN)CCO2	VXQ	1-(2,3-dihydro-1-benzofuran-5-yl)methanamine
+CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)c4[nH]nnn4	VXR	(5z)-5-[(5-ethyl-2-furyl)methylene]-2-{[(s)-(4-fluorophenyl)(1h-tetrazol-5-yl)methyl]amino}-1,3-thiazol-4(5h)-one
+c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O	VXS	4-{[3-(2-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+c1cc(c2c(c1)OCCCO2)CN	VXU	3,4-dihydro-2h-1,5-benzodioxepin-6-ylmethanamine
+c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O	VXV	4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+COc1cc(ccc1O)C(=O)OC	VXX	methyl vanillate
+c1c(cnc(n1)N)c2c(c(nc(n2)N3CCOCC3)N[C@]4(CCN(C4)C(=O)OCC(F)F)CO)F	VXY	2,2-difluoroethyl (3s)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate
+CNS(=O)(=O)N1CC[C@@H](C1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5	VY1	(3s)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]-n-methylpyrrolidine-1-sulfonamide
+C[C@@]1(CCN(C1)C(=O)OC(C)(C)C)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5	VY4	tert-butyl (3s)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate
+c1ccc(c(c1)N2CCC(CC2)C(=O)O)OCC(=O)N3Cc4c(nc(nc4N)N)C3	VY7	1-{2-[2-(2,4-diamino-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid
+CC(C)C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N	VYA	2-[(4~{z})-2-[(1~{s})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+CC(C)CCNC(=O)[C@H]1C[C@H](CNC1)CN2CC(=O)N(CC2(C)C)c3ccccc3Cl	VYD	(3s,5r)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-n-(3-methylbutyl)piperidine-3-carboxamide
+CC(C)CCNC(=O)[C@H]1C[C@H](CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl	VYE	(3s,5r)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-n-(3-methylbutyl)piperidine-3-carboxamide
+CC(C)CC(CC(C)C)NC(=O)[C@H]1C[C@H](CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl	VYF	(3s,5r)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-n-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide
+CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)N3CCC(CC3)C(F)(F)F	VYG	6-ethyl-5-[3-({3-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl}oxy)propoxy]pyrimidine-2,4-diamine
+c1ccc(c(c1)Nc2cccc3c2CN(CCO3)S(=O)(=O)c4ccc(cc4)F)F	VYI	n-(2-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-6-amine
+CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C	VYJ	11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+c1cc2c(cc1N)N(CCC2)C(=O)C3CC3	VYM	(7-amino-3,4-dihydroquinolin-1(2h)-yl)(cyclopropyl)methanone
+c1cnc(nc1c2cnc(nc2)N)N3CCOCC3	VYP	2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine
+CCc1c(cccc1S(=O)(=O)N[C@@H](Cc2cc(on2)c3ccc(s3)Cl)C(=O)N4CCC(CC4)OC)N5CCOCC5=O	VYR	n-[(s)-1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide
+c1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N	VYV	4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide
+Cc1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N	VYY	4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
+Cc1cc(cc(c1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)C	VZ1	4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
+CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	VZ4	(9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate
+CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C	VZ5	(14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate
+CC(C)(COC(=O)O)c1cccc(c1)Cl	VZ7	2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate
+c1cc(ccc1NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)F	VZD	4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
+CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ccc(nn4)C(=O)N(C)C	VZG	6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-n-methylpyridazine-3-carboxamide
+CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncccn4	VZJ	6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-n-methylpyridazine-3-carboxamide
+COc1ccc(cn1)NC(=O)Nc2cccs2	VZM	n-(6-methoxypyridin-3-yl)-n'-thiophen-2-ylurea
+CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1	VZP	n-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-n-methyl-n'-propan-2-ylurea
+Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC	VZS	n-(2-methoxy-5-methylphenyl)-n'-4h-1,2,4-triazol-4-ylurea
+CC(C)C1=C(SC2=N[C@@]([C@H](N12)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(=O)N5CCC[C@H]5C(=O)N(C)C	VZV	1-{[(5r,6s)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-n,n-dimethyl-l-prolinamide
+Cc1cccc(c1)C(=O)NCC(=O)O	VZY	n-(3-methylbenzene-1-carbonyl)glycine
+C(CCCCCOC(=O)S)CCCCC(=O)O	VZZ	11-[(mercaptocarbonyl)oxy]undecanoic acid
+[W+6]	W	tungsten ion
+Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nnn(n3)C	W01	2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2n-methyl-2h-tetrazol-5-yl]-phenol
+Cc1cc(cc(c1OCCCc2cc(no2)C)C)n3nc(nn3)C	W02	2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[4-methyl-2h-tetrazol-2-yl]-phenol
+Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3coc(n3)C	W03	2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2-methyl-4-isoxazolyl]-phenol
+Cc1ccnc(c1)NC(=O)CNC	W04	n~2~-methyl-n-(4-methylpyridin-2-yl)glycinamide
+C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	W05	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-alanine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	W06	(2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid
+CC(C)(C)[C@H](COc1ccc(cc1)C(C)(C)c2ccc(cc2)OC[C@H](CO)O)O	W07	(2s)-3-{4-[2-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)propan-2-yl]phenoxy}propane-1,2-diol
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	W09	n-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-l-tryptophan
+CCCC(=O)NCc1[nH]c2ccccc2n1	W0A	n-[(1h-benzimidazol-2-yl)methyl]butanamide
+c1ccc2c(c1)[nH]c(n2)CNC(=O)c3ccco3	W0D	n-[(1h-benzimidazol-2-yl)methyl]furan-2-carboxamide
+CN[C@@H]1CCN(C1=O)c2ccccc2F	W0G	(3r)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one
+CCCCCCc1cc(c(cc1F)Oc2ccccc2)O	W0I	4-fluoro-5-hexyl-2-phenoxyphenol
+CN[C@@H]1CCCN(C1)c2cccnn2	W0J	(3r)-n-methyl-1-(pyridazin-3-yl)piperidin-3-amine
+C[C@H](C(=O)N)Oc1ccc(cc1)Cl	W0M	(2r)-2-(4-chlorophenoxy)propanamide
+C[C@H](C(=O)O)Oc1ccccc1F	W0P	(2r)-2-(2-fluorophenoxy)propanoic acid
+COc1cc(cc(c1OC)OC)CN	W0S	1-(3,4,5-trimethoxyphenyl)methanamine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	W0T	(2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid
+CC(C)C(=O)NCc1[nH]c2ccccc2n1	W0V	n-[(1h-benzimidazol-2-yl)methyl]-2-methylpropanamide
+CNC(=O)c1ccc(cc1)S(=O)(=O)N	W0Y	n-methyl-4-sulfamoylbenzamide
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	W10	(2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid
+Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nc(on3)C(F)(F)F	W11	3-{3,5-dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole
+CCCC(CCC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O	W12	(2s)-3-{4-[4-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol
+c1ccc(c(c1)SC2=C(C[C@H](CC2=O)c3c(ccc(c3Cl)NC4CCOCC4)Cl)O)Cl	W13	(5r)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2h-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one
+c1cc2c(cc1O)CN(CC2)C(=O)C(F)(F)F	W14	2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
+C(CCl)c1nnc(s1)N	W16	5-(2-chloroethyl)-1,3,4-thiadiazol-2-amine
+c1c(cn(n1)CCO)C(=O)N	W17	1-(2-hydroxyethyl)-1h-pyrazole-4-carboxamide
+c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	W19	4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-n-(2-hydroxyethyl)-8,9-dihydro-7h-pyrimido[4,5-b]azepine-6-carboxamide
+CS(=O)(=O)NCC1CCNCC1	W1A	n-[(piperidin-4-yl)methyl]methanesulfonamide
+CC(=O)c1ccc(cc1)OCC(=O)O	W1D	(4-acetylphenoxy)acetic acid
+C=CCc1ccc(c(c1)O)Oc2ccccc2	W1G	2-phenoxy-5-(2-propenyl)phenol
+CCCn1nc(nn1)NC(=O)c2ccco2	W1J	n-(2-propyl-2h-tetrazol-5-yl)furan-2-carboxamide
+Cn1ccc(n1)C(=O)Nc2cccc(c2)C(=O)O	W1M	3-[(1-methyl-1h-pyrazole-3-carbonyl)amino]benzoic acid
+CC1=NN(C(=O)C1)c2ccccc2	W1P	5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
+c1cn2c(n1)[C@H](CCC2)C(=O)N	W1S	(8s)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
+Cc1c(c(n(n1)C)C)CC(=O)N	W1V	2-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide
+CNCc1cnn(c1)c2ccccc2	W1Y	n-methyl-1-(1-phenyl-1h-pyrazol-4-yl)methanamine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	W1Z	(2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid
+C[C@@H](C(=O)O)NC(=O)C1CCCC1	W21	n-(cyclopentanecarbonyl)-l-alanine
+CN1Cc2ccccc2N[C@H](C1=O)CC(=O)O	W22	[(2s)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-2-yl]acetic acid
+c1cc2c(cc1O)CC[N@](C2)S(=O)(=O)C(F)(F)F	W23	2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
+C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)NC	W24	(2s,3s)-n,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide
+CC(=O)N1[C@@H]2CC[C@H]1c3cccnc3C2	W27	1-[(5s,8r)-6,7,8,9-tetrahydro-5h-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one
+CCc1ccsc1c2ccc(c(c2)O)O	W29	4-(3-ethylthiophen-2-yl)benzene-1,2-diol
+C[C@@H]1[C@@H](CCCN1S(=O)(=O)C)C#N	W2A	(2r,3r)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile
+[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C@@H]3C[C@H](CCN3)O	W2C	(2s,4s)-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-piperidine-2-carboxamide
+c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)S(=O)(=O)N)OCO2	W2D	2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide
+COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	W2E	methyl 4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzoate
+c1cscc1[C@H]2CCC[C@H]2C(=O)O	W2G	(1r,2s)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid
+C[C@@H]1C[C@H](CNC1)CO	W2J	[(3r,5r)-5-methylpiperidin-3-yl]methanol
+CN1CCN(CC1)c2ccc(cc2)C(=O)NC3=CC(=CNC3=O)c4ccncc4	W2K	4-(4-methylpiperazin-1-yl)-n-(2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin-3-yl)benzamide
+c1ccc2c(c1)C[C@]3(CCCN3)C(=O)N2	W2M	(2r)-1',4'-dihydro-2'h-spiro[pyrrolidine-2,3'-quinolin]-2'-one
+CN(C)CCCC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F	W2P	n-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide
+c1cc(cc(c1)Oc2ccc(cc2Cl)Nc3c4c(ccn4CCOCCO)ncn3)NC(=O)NC5CCCCC5	W2R	1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5h-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea
+Cc1ccccc1[C@@H]2COC[C@@H]2C(=O)O	W2S	(3r,4r)-4-(2-methylphenyl)oxolane-3-carboxylic acid
+COc1cccc(c1)[C@H]2CCOC[C@H]2C(=O)O	W2V	(3s,4s)-4-(3-methoxyphenyl)oxane-3-carboxylic acid
+C[C@H](CO)[C@H](C(=O)O)OC(=O)[C@H](C(=C)S)NC(=O)CCC[C@@H](C(=O)O)N	W2X	n~6~-[(1r)-1-({[(1r,2r)-1-carboxy-3-hydroxy-2-methylpropyl]oxy}carbonyl)-2-mercaptoprop-2-en-1-yl]-6-oxo-l-lysine
+C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)N	W2Y	(2s,3s)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide
+Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCOC	W30	6-(2-(5-((2-methoxyethyl)(methyl)amino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine
+C[C@@H](c1ccccc1)OC(=O)Cc2ccc(c(c2)SC3=C(C[C@@H](CC3=O)c4c(cccc4Cl)Cl)O)Cl	W31	(1s)-1-phenylethyl (4-chloro-3-{[(4s)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate
+CS(=O)(=O)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)NCC1	W32	4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-n-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7h-pyrimido[4,5-b]azepine-6-carboxamide
+Cc1cc(on1)CCCCCOc2ccc(cc2Cl)C3=NCCO3	W33	5-(5-(6-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
+COc1cccc(c1)[C@@H]2CCOC[C@@H]2N	W34	(3r,4s)-4-(3-methoxyphenyl)oxan-3-amine
+Cc1cc(on1)CCCCCOc2ccc(cc2)C3=NCCO3	W35	5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl isoxazole
+C[N@@](CCCCCCOc1ccc2c(c1)ccnc2c3ccc(cc3)Br)CC=C	W37	n-(6-{[1-(4-bromophenyl)isoquinolin-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine
+c1c(cn(n1)CC(=O)O)Br	W3A	(4-bromo-1h-pyrazol-1-yl)acetic acid
+C1=CN(C(=O)C=C1Br)CC(=O)O	W3D	(4-bromo-2-oxopyridin-1(2h)-yl)acetic acid
+C1=CC(=O)NN=C1	W3G	pyridazin-3(2h)-one
+C1CNC(=NC1)N	W3J	1,4,5,6-tetrahydropyrimidin-2-amine
+c1c([nH]cn1)C#N	W3M	1h-imidazole-5-carbonitrile
+c1cc2cccnc2nc1	W3P	1,8-naphthyridine
+c1ccn2c(c1)nnc2N	W3S	[1,2,4]triazolo[4,3-a]pyridin-3-amine
+C1CN(CCC1C(=O)O)C(=O)N	W3V	1-carbamoylpiperidine-4-carboxylic acid
+C[C@H]1C(=O)NC(=O)N1c2ccc(cc2)Cl	W3Y	(5s)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
+c1cc(nn2c1nnn2)Cl	W41	6-chlorotetrazolo[1,5-b]pyridazine
+c1c(cc(c(c1Cl)OCCCCCc2cc(no2)COCOCCO)Cl)C3=NCCO3	W42	5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole
+Cc1cc(on1)CCCCCCCOc2ccc(cc2Cl)C3=N[C@H](CO3)C	W43	5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+Cn1c2ccccc2c3c1[C@H]4C[C@@H](C3)NC[C@@H]4O	W44	(2s,5r,6r)-7-methyl-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol
+c1cn(c2c1cc(c(c2)Cl)Cl)CCCCCNC(=O)CS	W45	n-[5-(5,6-dichloro-1h-indol-1-yl)pentyl]-2-sulfanylacetamide
+Cc1cc([nH]n1)c2cc(ccc2O[C@H]3C[C@@]3(CN)c4ccc(cc4F)F)C(F)(F)F	W47	1-{(1s,2s)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1h-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine
+Cc1ccc(o1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)C(F)(F)F	W4A	5-methyl-~{n}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
+c1ccc(cc1)CN2C=Nc3ccc(cc3C2=O)c4c[nH]nc4	W4D	3-benzyl-6-(1h-pyrazol-4-yl)quinazolin-4(3h)-one
+c1ccc(cc1)CN2C=Nc3cc(ccc3C2=O)c4c[nH]nc4	W4G	3-benzyl-7-(1h-pyrazol-4-yl)quinazolin-4(3h)-one
+c1cc(c(cc1[C@@H](CCN)O)OCC2CCCCC2)F	W4J	(1r)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol
+CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)CN4CCOCC4)N(CO)O	W4M	(hydroxy{(1s)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1h-benzotriazol-1-yl]ethyl}amino)methanol
+c1ccc(cc1)C[C@@H](C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O	W4N	(1r,4r,5r)-1,4,5-trihydroxy-3-[(1s)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid
+CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O	W4P	n-hydroxy-n-[(1s)-2-{5-[(4-{[2-(hydroxymethyl)-1h-imidazol-1-yl]methyl}phenyl)ethynyl]-1h-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide
+Cn1ccc2c1ncnc2N	W4S	7-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1nc2nc3c(c(n2n1)N)CCC3	W4V	6,7-dihydro-5h-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine
+CC(C)OCCN1c2cc[nH]c2C(=O)NC1=S	W4Y	1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+c1nc(c(c(n1)N2CC3CCC2CC3)Cl)N	W51	6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine
+Cc1cc(on1)CCCCCOc2c(cc(cc2Cl)C3=NCCO3)Cl	W54	5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl isoxazole
+Cc1cc(on1)CCCCCOc2ccc(cc2)C3=N[C@H](CO3)C	W56	5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
+COc1cc(on1)Cn2cnc(c-3ncnc23)N	W57	3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3h-purin-6-amine
+CC[C@H]1COC(=N1)c2ccc(cc2)OCCCCCCCc3cc(no3)C	W59	5-(7-(5-hydro-4-ethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+Cc1nc(cs1)Cn2cnc(c-3ncnc23)N	W5A	3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3h-purin-6-amine
+c1c[nH]c2c1c(ncn2)N3CCCCCOCC3	W5D	4-(1,4-oxazonan-4-yl)-7h-pyrrolo[2,3-d]pyrimidine
+c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CC4	W5G	4-(5-azaspiro[2.5]octan-5-yl)-7h-pyrrolo[2,3-d]pyrimidine
+CN(CCC(=O)O)c1c2cc[nH]c2ncn1	W5J	n-methyl-n-7h-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine
+Cn1cnc2c1nc(nc2N)N	W5M	9-methyl-9h-purine-2,6-diamine
+c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)F	W5P	4-[(3r)-3-fluoropiperidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine
+Cc1c(n(c2c1c(ncn2)N)Cc3ccco3)C	W5S	7-[(furan-2-yl)methyl]-5,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O	W5V	2-(2,6-difluorophenyl)-5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	W5Y	5'-o-(l-phenylalanylsulfamoyl)adenosine
+c1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5	W61	1,3-thiazolidin-3-yl[(2s,4s)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone
+Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C	W64	4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC	W66	4-methyl-6-(2-(5-(3-(methylamino)propyl)pyridin-3-yl)ethyl)pyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C	W67	6-(2-(5-(3-(dimethylamino)propyl)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC	W68	6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C	W69	6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
+c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl	W6A	4-chloro-1h-indole-2-carboxylic acid
+c1cc(c2cc[nH]c2c1)C(=O)N	W6D	1h-indole-4-carboxamide
+c1ccc(cc1)S(=O)(=O)Nc2nncs2	W6G	n-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
+c1ccnc(c1)N2CCCNCC2	W6J	1-(pyridin-2-yl)-1,4-diazepane
+Cc1nc(on1)CNC(=O)c2cccc(c2)C(=O)O	W6M	3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid
+c1ccc2c(c1)CC(=O)N2	W6P	1,3-dihydro-2h-indol-2-one
+Cc1ccc(c(c1)CNC(=O)[C@@H]([C@H](C)N)O)C	W6Q	(2~{r},3~{s})-3-azanyl-~{n}-[(2,5-dimethylphenyl)methyl]-2-oxidanyl-butanamide
+c1c[nH]nc1C2CCNCC2	W6S	4-(1h-pyrazol-3-yl)piperidine
+c1ccc(cc1)C(=O)Nc2nccs2	W6V	n-(1,3-thiazol-2-yl)benzamide
+CC(=O)C(F)(F)F	W6X	1,1,1-tris(fluoranyl)propan-2-one
+c1cc2cc(ccc2c(c1)C(=O)O)CCC3=C(NC(=O)NC3=O)C(=O)O	W6Y	5-[2-(5-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CC(C(F)(F)F)(O)O	W6Z	1,1,1-tris(fluoranyl)propane-2,2-diol
+c1ccc(cc1)Oc2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O	W70	2,6-dioxo-5-[2-(4-phenoxyphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
+Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=NCCO3	W71	5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+C1[C@H]([C@@H]([C@H]([N@@]1C[C@@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)CO)O)O	W72	6-deoxy-6-[(2r,3r,4r)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-l-gulonic acid
+c1ccc2c(c1)cc(c3c2cccc3)CCC4=C(NC(=O)NC4=O)C(=O)O	W73	2,6-dioxo-5-[2-(phenanthren-9-yl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
+c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)OC(F)(F)F	W74	2,6-dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1cc(cc(c1)OC)CCC2=C(NC(=O)NC2=O)C(=O)O	W75	5-[2-(3,5-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O	W76	5-[2-(3-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(cnc1)NC(=O)c2ccc(cc2Cl)Cl	W77	2,4-dichloro-n-(pyridin-3-yl)benzamide
+Cc1cc(nc(c1)N)CCc2cc(cnc2)c3cccc(c3)CNC	W79	4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine
+c1ccc(cc1)c2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O	W7A	2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
+c1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O	W7B	5-[2-(naphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
+COc1cccc2c1ccc(c2)CCC3=C(NC(=O)NC3=O)C(=O)O	W7C	5-[2-(5-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1cccc2c1cc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O	W7D	5-[2-(8-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(cc3)CC(C(=O)O)C(=O)O	W7E	2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid
+COc1ccc2cccc(c2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	W7F	5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1ccccc1CCC2=C(NC(=O)NC2=O)C(=O)O	W7G	5-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	W7H	5-[2-(naphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O	W7I	5-[2-(3-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc2cc(ccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)O	W7J	5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1ccc2cc(c(cc2c1)OC)CCC3=C(NC(=O)NC3=O)C(=O)O	W7K	5-[2-(3,6-dimethoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O	W7L	5-[2-(6-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COC(=O)c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	W7M	5-{2-[6-(methoxycarbonyl)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc2cc(ccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)NCCO	W7N	5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(cc(c1)C(=O)O)CCC2=C(NC(=O)NC2=O)C(=O)O	W7O	5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(=O)O	W7P	5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CC(C)(C)OC(=O)N1CCc2c1ccc(c2)CCC3=C(NC(=O)NC3=O)C(=O)O	W7Q	5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1h-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc(cc1)CNC(=O)c2cnccn2	W7S	n-benzylpyrazine-2-carboxamide
+CN(c1c[nH]nc1)C(=O)C23CCC[C@@H]2C3	W7V	(1r,5r)-n-methyl-n-(1h-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
+c1c[nH]c2c1c(ncn2)N3CCC[C@@H]3C4CCC4	W7Y	4-[(2r)-2-cyclobutylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)c3ccc(cc3)CNC	W80	4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine
+CCO[C@@H]1C=CC=C([C@H]1[NH3+])C(=O)[O-]	W81	(5r,6r)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)c3cccc(c3)CNC	W82	6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine
+COCOc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	W83	5-{2-[7-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=N[C@H](CO3)C	W84	5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+COC(=O)c1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O	W85	5-{2-[3-(methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COC(=O)c1ccc(cc1)CCCCC2=C(NC(=O)NC2=O)C(=O)O	W86	5-{4-[4-(methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COC(=O)c1cccc2c1ccc(c2)CCCCC3=C(NC(=O)NC3=O)C(=O)O	W87	5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc2cc(ccc2cc1CCCCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)O	W88	5-[4-(6-carboxynaphthalen-2-yl)butyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@@H](C(=O)N1CCNC1=O)SCC(=O)O	W8A	{[(2s)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid
+c1nc-2c(ncn(c2n1)C[C@H]3CCCO3)N	W8D	3-{[(2r)-oxolan-2-yl]methyl}-3h-purin-6-amine
+c1c[nH]c2c1c(nc(n2)N)N3CCSCC3	W8G	4-thiomorpholino-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+c1nc-2c(ncn(c2n1)CCC[C@H]3CCOC3)N	W8J	3-{3-[(3s)-oxolan-3-yl]propyl}-3h-purin-6-amine
+Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl	W8L	3-(4-chlorophenyl)-5-methylisoquinolin-1(2h)-one
+COCC(=O)Oc1c(cccc1c2[nH]c(c(n2)c3ccccc3Cl)c4ccccc4Cl)CC=C	W8M	2-[4,5-bis(2-chlorophenyl)-1h-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate
+CS[C@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O	W8P	n-hydroxy-n-[(1r)-2-{5-[(4-{[2-(hydroxymethyl)-1h-imidazol-1-yl]methyl}phenyl)ethynyl]-1h-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide
+Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=N[C@@H](CO3)C	W8R	5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+Cn1c(cc(n1)c2cccc(c2)OC)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O	W8S	(1,3-dihydro-2h-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1h-pyrazol-5-yl]amino}phenyl)methanone
+Cc1ccccc1c2cc(n(n2)C)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O	W8V	(1,3-dihydro-2h-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1h-pyrazol-5-yl]amino}phenyl)methanone
+c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)Br	W8X	{2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
+Cn1c(cc(n1)c2ccccc2)Nc3cc(cc(c3C(=O)N4Cc5cccnc5C4)O)O	W8Y	(5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1h-pyrazol-5-yl)amino]phenyl}methanone
+COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O	W8Z	5-{2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1cc(on1)CCCOc2c(cc(cc2Cl)C3=NCCO3)Cl	W91	5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole
+c1ccc(cc1)n2c(cc(n2)C(F)(F)F)C3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5	W94	[(2s,4s)-4-{4-[1-phenyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]piperidin-1-yl}pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone
+CCC(CC)n1c2c(ncc(n2)C#C)nc1O	W97	6-ethynyl-1-(pentan-3-yl)-1h-imidazo[4,5-b]pyrazin-2-ol
+C[C@@H]1C[C@@H](CN(C1)C(=O)c2csc(n2)Nc3ccc4c(c3)OCO4)C	W99	[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3r,5s)-3,5-dimethylpiperidin-1-yl]methanone
+CCCC(CCC)COc1cc(ccc1F)[C@@H](CCN)O	W9A	(1r)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol
+CC1(c2cc(ccc2C(=O)O1)Nc3ncc(c(n3)N[C@H](CO)c4ccccc4)c5nnco5)C	W9D	5-{[4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3h)-one
+COCCCCCCCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O	W9G	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol
+CSCC[C@@H](C(=O)O)NC(=O)N	W9J	n-carbamoyl-l-methionine
+CCNC(=O)Nc1cccc2c1cccc2	W9L	1-ethyl-3-naphthalen-1-ylurea
+CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl	W9M	3-(3,4-dichlorophenyl)-1,1-dimethyl-urea
+c1cc(c(cc1n2cnnn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O	W9P	(1~{s},2~{s},3~{r},4~{s},5~{s})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N	W9S	(1s,2s,3r,4s,5s)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O	W9T	4-o-beta-d-galactopyranosyl-beta-d-fructofuranose
+c1cc(c(cc1n2nccn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O	W9V	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-{[(5z)-6-{[2-nitro-4-(2h-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol
+c1cc(c(cc1n2ccnn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O	W9Y	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1h-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol
+C[C@@H](c1ccc2c(c1)cccn2)c3nnc4n3nc(cc4)c5cnn(c5)C	W9Z	6-{(1s)-1-[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline
+c1ccc(cc1)NC(=O)Nc2cnns2	WA1	1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea
+C[C@H](CCNc1c2c(nc[nH]2)ncn1)CO	WA2	(2r)-2-methyl-4-(7h-purin-6-ylamino)butan-1-ol
+c1c(nnn1C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)Cn4cc(nn4)CSC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)S[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)CSC[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)S[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O	WA3	(2s,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(1-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({4-[({[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-2-yl]methyl}sulfanyl)methyl]-1h-1,2,3-triazol-1-yl}methyl)tetrahydro-2h-pyran-2-yl]oxy}tetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-3,4,5-triol
+[H]/N=C/1\c2cccnc2N(C(=O)C1C(=O)NCc3ccc(cc3F)F)O	WA5	4-azanylidene-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
+c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O	WA7	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1,2,3,4-tetrol
+CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C	WAA	(2s)-2-[[(1r,4ar,4br,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1h-indol-3-yl)propanoic acid
+CC(C)S(=O)(=O)NCCCn1c2ccccc2c3c1[C@@H]4CCCC[N@]4CC3=O	WAC	n-{3-[(12bs)-7-oxo-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-12(2h)-yl]propyl}propane-2-sulfonamide
+CCCCCCCC[C@H](CCCCCCCCC(=O)O)O	WAD	(10r)-10-hydroxyoctadecanoic acid
+Cc1ccc(cc1Cl)Nc2nccc(n2)c3ccnc(c3)N4CCN(CC4)CCN	WAI	4-{2-[4-(2-aminoethyl)piperazin-1-yl]pyridin-4-yl}-n-(3-chloro-4-methylphenyl)pyrimidin-2-amine
+C[n+]1c2ccccc2c(cc1/C=C/c3ccc(c(c3)OC)O)C(=O)N	WAM	2-[(~{e})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinoline-4-carboxamide
+CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(sc3OCC)S(=O)(=O)N	WAN	5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1h-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCCCCC(=O)O)O)O)N	WAQ	pimeloyl-amp
+c1cc(c(cc1NNN)[N+](=O)[O-])NCCOC(=O)NCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O	WAS	2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1s,2s,3r,4s,5s)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate
+c1cc(c(cc1NNN)[N+](=O)[O-])NCCOCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O	WAV	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-{[2-(2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethoxy)ethyl]amino}cyclohexane-1,2,3,4-tetrol
+Cc1cccc(c1N(Cc2cccnc2)S(=O)(=O)c3ccc(cc3)OC)C(=O)NO	WAY	n-hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-benzamide
+Cc1ccc2c(c1)[nH]cc2C(=O)O	WB1	6-methyl-1h-indole-3-carboxylic acid
+CSc1ccccc1C(=O)NCCCC[C@@H](c2[nH]c(cn2)c3ccc4ccccc4c3)NC(=O)c5cncs5	WB4	n-{(1s)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide
+CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc3c(s2)C4(CCN(CC4)Cc5ccccc5Cl)OCC3	WB7	1-[(2-chlorophenyl)methyl]-n-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide
+c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H](CCCCNC(=O)c4c(cccc4F)O)NC(=O)c5cncs5	WBA	n-{(1s)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide
+c1cc2c(cc1Cl)nc([nH]2)Cl	WBD	2,5-dichloro-1h-benzimidazole
+COc1ccc(cc1)C2=C(Nc3c(c(nn3C2=O)c4ccccc4)C5=CCCCC5)Nc6ccccn6	WBG	3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one
+c1cc(ccc1C(=O)NC2=CC(=CNC2=O)c3ccncc3)N4CCCCC4	WBI	n-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C)/C(=O)O)O	WBJ	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid
+c1ccc(cc1)c2c(nn3c2NC(=CC3=O)Nc4cc[nH]n4)c5ccccc5	WBM	2,3-diphenyl-5-[(1h-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one
+c1ccc(c(c1)c2cccc(c2O)O)O	WBP	3-(2-hydroxyphenyl)benzene-1,2-diol
+c1ccc(cc1)c2c(nn3c2NC(=C(C3=O)c4ccc(cc4)O)Nc5cc[nH]n5)c6ccccc6	WBS	6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1h-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one
+c1cc(cc2c1ccn2CCc3ccncc3)NC(=O)c4cc(cc(c4)F)N5CCOCC5	WBT	3-fluoro-5-morpholin-4-yl-n-[1-(2-pyridin-4-ylethyl)-1h-indol-6-yl]benzamide
+C1=C(C(=O)NC(=O)N1)N	WBU	5-amino-1h-pyrimidine-2,4-dione
+Cc1c(n(c2c1c(c(c(n2)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)Cc4cnn(c4)C)C	WBV	(2s)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1h-pyrazol-4-yl)methyl]-1h-pyrrolo[2,3-b]pyridin-5-yl}acetic acid
+Cc1nc2c(s1)C(=O)N(C(=O)N2)O	WBY	6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4h,6h)-dione
+C[C@H](c1c(c2cc(ccc2[nH]1)c3ccccc3)CC(P(=O)(O)O)P(=O)(O)O)C(C)C	WC1	(2-{2-[(2s)-3-methylbutan-2-yl]-5-phenyl-1h-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid)
+COc1cc2ccccc2cc1C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	WC4	(1s)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-o-phosphono-d-ribitol
+c1csc2c1C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	WC7	6-[2-deoxy-5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-erythro-pentofuranosyl]thieno[2,3-c]pyridine-7(6h)-thione
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(cc4)O)O	WCA	p-coumaroyl-coa
+[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45	WCC	fe(3)-ni(1)-s(4) cluster
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS[C@@H]1C[C@H]2CC(=O)N2[C@@H]1C(=O)O)O	WCD	(2r,3r,5r)-3-{[2-({n-[(2r)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+c1cc(cc(c1)Cl)C(=O)N	WCE	3-chloro-benzamide
+COc1cc2ccccc2cc1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	WCG	(1s)-1,4-anhydro-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-d-ribitol
+C[C@@H](C(=O)O)N(C)C(=O)[C@H](Cc1ccc(cc1)c2ccccc2)N	WCM	(2s)-2-amino-3-(biphenyl-4-yl)-n-methyl-n-[(2s)-1-oxopropan-2-yl]propanamide (non-preferred name)
+O=[W]1234O[Co]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8	WCO	co-substituted alpha-keggin
+c1cc2c(nc1CNC34CCC(CC3)(OC4)C[C@@]5(CN6c7c5c(cnc7C=CC6=O)F)O)NC(=O)CO2	WCP	(4r)-3-fluoro-4-hydroxy-4-{[(1r,4r)-4-{[(3-oxo-3,4-dihydro-2h-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}-2-oxabicyclo[2.2.2]oct-1-yl]methyl}-4,5-dihydro-7h-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one
+c1cc(ccc1/C=C\2/C(=O)N([C@](N2)(CN)O)CC(=O)O)O	WCR	[(2r,4z)-2-(aminomethyl)-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid
+CN(C)CCCOc1ccc(cc1)c2cc(nc(n2)S(=O)(=O)C)NCCCn3cccn3	WCS	6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-n-[3-(1h-pyrazol-1-yl)propyl]pyrimidin-4-amine
+c1ccc(c(c1)N)Nc2ccc3c(c2)OCO3	WCU	~{n}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
+C#CCNc1nccc(n1)Nc2ccc3c(c2)N(CCC3)C(=O)C4CC4	WCV	cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2h)-yl]methanone
+C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)n3cnc4c3ccc(c4)OC5CCN(CC5)C	WCX	4-{5-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-2-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide
+C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=S)Nc2ccc(cc2)NC(=O)c3cscn3	WCY	n-{4-[({(1s)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}carbamothioyl)amino]phenyl}-1,3-thiazole-4-carboxamide
+C1C[C@@H](C[C@H](C1)F)CNCC(O)O	WD1	2-({[(1s,3s)-3-fluorocyclohexyl]methyl}amino)ethane-1,1-diol
+CN1c2c(n(cn2)CCNC(=O)NS(=O)(=O)C)C(=S)N(C1=O)C	WD7	n-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7h-purin-7-yl)ethyl]carbamoyl}methanesulfonamide
+CN1c2c(n(cn2)Cc3ccc(cc3)CC4C(=O)NC(=O)NC4=O)C(=O)N(C1=O)C	WDA	5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1h,3h,5h)-trione
+CN1c2c([nH]c(n2)NCCN3CCOCC3)C(=O)N(C1=O)C	WDD	1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1h-purine-2,6-dione
+CN1c2c([nH]c(n2)SCCN3CCC(CC3)C(=O)O)C(=O)N(C1=O)C	WDG	1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid
+CN1c2c([nH]c(n2)SCCN3CCS(=O)(=O)CC3)C(=O)N(C1=O)C	WDJ	8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+c1(nc(nc(n1)O)O)O	WDL	1,3,5-triazine-2,4,6-triol
+CN1c2c([nH]c(n2)SCC(=O)N3CCOCC3)C(=S)N(C1=O)C	WDM	1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2h-purin-2-one
+C[C@@H]1C[C@@H](O[C@H](CN1C)C)O[C@H]2[C@@H]([C@H]([C@H](C[C@](C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]2C)[C@@H](C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)C)OC(=O)CC(C)C)C)(C)OC(=O)NC(C)(C)CNS(=O)(=O)c4ccccc4)C)O[C@H]5[C@@H](C(=NOC)C[C@H](O5)C)O)C	WDP	sequanamycin 9
+Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C(=O)N3)C)OCCO	WDR	(4s)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1h)-one
+CCCCCN1C(=O)c2ccc(cc2N=C1SCc3ccccn3)C(=O)N4CCCC4	WDS	3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3h)-one
+c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)O)[N+](=O)[O-]	WDT	2-nitro-5-(phenylsulfonyl)phenol
+c1cc(ccc1CNC(=O)c2c(c([nH]n2)[N+](=O)[O-])Cl)Cl	WDU	4-chloro-n-(4-chlorobenzyl)-5-nitro-1h-pyrazole-3-carboxamide
+c1cc(cc(c1)N2CCN(CC2)Cc3cc(ccc3O)[N+](=O)[O-])C(F)(F)F	WDV	4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol
+Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC=CC3	WDW	3,6-dihydropyridin-1(2h)-yl(5-methyl-1h-indol-2-yl)methanone
+Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)CCO	WDX	[4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1h-indol-2-yl)methanone
+c1cc(cc(c1)NC(=O)c2cccc3c2[nH]nc3)c4cc[nH]n4	WDY	n-[3-(1h-pyrazol-3-yl)phenyl]-1h-indazole-7-carboxamide
+CC(C)[C@@H](C(=O)N1[C@@H](C2(CCC1CC2)O)C(=O)N[C@@H](CC(=O)O)CO)NC(=O)c3ccc4ccccc4c3	WE0	(3~{s})-3-[[(3~{s})-2-[(2~{s})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid
+CC[C@](C)(CNC(=O)Nc1ccc(cc1)C(=O)Nc2nccs2)N3CCOCC3	WE1	4-({[(2r)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-n-(1,3-thiazol-2-yl)benzamide
+c1(c(c(c(c(c1Br)Br)C(=O)O)Br)Br)C(=O)O	WE4	2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid
+Cc1ccccc1c2nc-3c(ncn(c3n2)Cc4c(cccc4Cl)Cl)N	WE7	3-[(2,6-dichlorophenyl)methyl]-8-(2-methylphenyl)-3h-purin-6-amine
+Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)O	WEF	n-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-l-tyrosine
+c1ccc(cc1)c2cc3cc(cnc3[nH]2)c4c[nH]nc4	WEG	2-phenyl-5-(1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
+Cc1c([nH]nc1C(=O)Nc2cc3cc([nH]c3nc2)c4ccccc4)C	WEJ	4,5-dimethyl-n-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazole-3-carboxamide
+CN1C=C2c3cc(c(cc3N(Cc4c2c([nH]c4)C1=O)c5c(cc(cn5)F)F)C(=O)OC)CS(=O)(=O)C	WEM	methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2h-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNC(=O)c4cc5c(cc4CS(=O)(=O)C)C6=CN(C(=O)c7c6c(c[nH]7)CN5c8c(cc(cn8)F)F)C)O	WEP	n-[11-({7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2h-2,4,7-triazadibenzo[cd,f]azulene-9-carbonyl}amino)undecanoyl]-3-methyl-l-valyl-(4r)-4-hydroxy-n-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-l-prolinamide
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC	WES	(2s)-3-{[(s)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9e,9'e)di-octadec-9-enoate
+C[C@@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C	WEV	(5r)-2,4-dideoxy-1-c-{(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4e,6e,9r,10s,11r,12e,14z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-d-threo-pentopyranose
+C(COCCOCC(=O)NCCOCCOCC(=O)O)N	WF1	17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid
+Cc1ccc2c(c1)nc(c(n2)OCc3ccccc3/C(=C\OC)/C(=O)OC)C(F)(F)F	WF3	methyl (2e)-3-methoxy-2-[2-({[6-methyl-3-(trifluoromethyl)quinoxalin-2-yl]oxy}methyl)phenyl]prop-2-enoate
+Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O	WF4	4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
+Cc1cc(n[nH]1)Nc2cc(nc(n2)/C=C/c3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C	WF7	n-{4-[(e)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide
+CC(C)NC1=CC(=O)N(N=C1c2nc[nH]n2)c3ccccc3	WF8	5-isopropylamino-2-phenyl-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone
+CCc1c(c(nc(n1)N)N)OCCCNc2ccccc2N3CCC(CC3)C(=O)O	WFA	1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid
+Cc1cc([nH]n1)Nc2cc(nc(n2)c3ccc(cc3)C4CCN(CC4)C(=O)C=C)N5CCN(CC5)C	WFD	1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1h-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one
+CCc1c[nH]c2c1c(ncn2)N3CC[C@@](C3)(CNC(=O)c4ccc(cc4F)F)N	WFE	n-{[(3s)-3-amino-1-(5-ethyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide
+c1cc2c(cc1C3=C(C(=O)OC3)c4ccc(cc4F)F)NC(=O)CO2	WFF	6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2h-1,4-benzoxazin-3(4h)-one
+C[C@H]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4	WFG	6-[(2s)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2h-1,4-benzoxazin-3(4h)-one
+CCc1c(c(nc(n1)N)N)OCC2CN(C2)c3ccccc3N4CCC(CC4)C(=O)O	WFJ	1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid
+c1cc(cc2c1cc(c(n2)N)Br)O[C@H]3CC[C@]4([C@@H]3O[C@H]([C@@H]4O)n5ccc6c5ncnc6N)O	WFM	(2r,3r,3as,6s,6ar)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3ah-cyclopenta[b]furan-3,3a-diol
+c1c(cc(cc1F)F)C[C@@H](C(=O)O)N	WFP	3,5-difluoro-l-phenylalanine
+Cc1c2ccn(c2ncn1)[C@H]3[C@@H]([C@]4(CC[C@@H]([C@H]4O3)Oc5ccc6cc(c(nc6c5)N)Br)O)O	WFS	(2r,3r,3as,6s,6ar)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3ah-cyclopenta[b]furan-3,3a-diol
+c1c(cc(c2c1nc(c(c2)F)N)F)C[C@@H]3CC[C@]4([C@@H]3C[C@H]([C@@H]4O)n5cc(c6c5ncnc6N)F)O	WFV	(1s,2r,3ar,4s,6ar)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1h)-diol
+Cc1cn(c2c1c(cc(n2)C(=O)N)Cl)[C@@H](C)[C@@]3(CCNC3)F	WFY	4-chloro-1-{(1s)-1-[(3s)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1h-pyrrolo[2,3-b]pyridine-6-carboxamide
+C[C@]1(CCC[C@H]1N2c3c(cnc(n3)NC4CCN(CC4)S(=O)(=O)C)C=C(C2=O)C(F)F)O	WG1	6-(difluoromethyl)-8-[(1r,2r)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1cc(nc2n1ccn2)N3CC[C@@]4(C3)CCN(C4)Cc5cnc(s5)NC(=O)C	WG4	n-(5-{[(5s)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide
+c1c(c2c([nH]1)C(=O)NC=N2)CNCCCP(=O)(O)O	WG7	(3-{[(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid
+c1cc2ccc(nc2c(c1)O)C3=N[C@H](CS3)C(=O)O	WG8	(4s)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+CC1(CN(C[C@H]1O)c2c(cccn2)F)C	WGA	(3s)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
+Cc1nc(cs1)CN2C[C@H](C[C@H]2CN)F	WGD	1-{(2s,4s)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine
+COc1cccc(c1)CNC(=O)C2=Nc3ccccc3C(=O)N2	WGG	n-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide
+CC1(CN(C[C@@H]1O)c2c(cccn2)F)C	WGM	(3s)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
+CN(C)C(=O)CNc1ccccc1	WGP	n,n-dimethyl-n~2~-phenylglycinamide
+c1cc(c(nc1)NCC2CCOCC2)F	WGS	3-fluoro-n-[(oxan-4-yl)methyl]pyridin-2-amine
+CCOC(=O)c1c(csc1N)c2cccs2	WGT	ethyl 5'-amino[2,3'-bithiophene]-4'-carboxylate
+c1ccc(cc1)C#CCN2CCCCC2	WGV	1-(3-phenylprop-2-yn-1-yl)piperidine
+CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCCCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5	WGX	~{n}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
+CCC(=O)Nc1ccc(cc1)S(=O)(=O)N	WGY	n-(4-sulfamoylphenyl)propanamide
+C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	WGZ	5-{6-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-3-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide
+CN(CCc1ccccn1)C(=O)c2ccccc2	WH1	n-methyl-n-[2-(pyridin-2-yl)ethyl]benzamide
+CC(C)Nc1cccnc1	WH4	n-(propan-2-yl)pyridin-3-amine
+c1ccc2c(c1)cccc2C[C@H](CC(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O	WH6	2-[(1r)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid
+C[C@@H](CNCc1c(cccc1Cl)Cl)O	WH7	(2r)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
+c1cc2c3c(c1)c(c(cc3COC2)Cl)c4nc(nc(n4)SCCCC(=O)N)N	WHA	4-{[4-amino-6-(5-chloro-1h,3h-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide
+c1cc(ccc1CNCc2ccc(cc2)F)C#N	WHD	4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile
+c1cc(sc1)C(=O)CCc2nnc(s2)N	WHF	3-(5-amino-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylpropan-1-one
+c1conc1CN2CCNCC2	WHG	1-[(1,2-oxazol-3-yl)methyl]piperazine
+COc1cccc(c1)CNC(=O)C2=Nc3ccc(c(c3C(=O)N2)OCCc4ccc(cc4)C(=O)O)F	WHH	4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid
+C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c3c2C=CC(=O)N3)O)O	WHJ	carmoterol
+c1cc(cc(c1)F)CN2CCCS2(=O)=O	WHM	2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione
+C[C@H](c1ccccc1Cl)NS(=O)(=O)C	WHP	n-[(1r)-1-(2-chlorophenyl)ethyl]methanesulfonamide
+Cc1csc(n1)NC[C@H]2CCCO2	WHS	4-methyl-n-{[(2r)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine
+c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)N)Cl)F)Oc3cc(cc(c3)Cl)C#N)Br	WHU	2-azanyl-n-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1h-imidazole-5-carboxamide
+Cc1c(sc(n1)C)[C@@H](C)NC	WHV	(1s)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-n-methylethan-1-amine
+CC/C=C\C[C@@H]1[C@H](C=CC1=O)CCCCCCCC(=O)O	WHW	9s,13r-12-oxophytodienoic acid
+CN(C)Cc1ccc(cc1)C#N	WHY	4-[(dimethylamino)methyl]benzonitrile
+COc1cccc(c1)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N	WI2	1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid
+c1ccc(c(c1)Nc2ncnc(n2)n3cccc3)Cl	WI4	n-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
+Cc1c(c2cccc3c2n1[C@@H](CO3)CN4CCOCC4)C(=O)c5cccc6c5cccc6	WI5	{(3r)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CS)O)O)O	WIA	methyl 6-thio-beta-d-galactopyranoside
+CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O	WIN	methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-15-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
+c1ccc(cc1)C[C@@H](C(=O)O)Cl	WJ1	(s)-2-chloro-3-phenylpropanoic acid
+c1ccc(cc1)C[C@H](C(=O)O)Cl	WJ2	(2r)-2-chloro-3-phenylpropanoic acid
+C1COCCN1Cc2c(snn2)Cl	WJ4	4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine
+CN(C)C(=O)c1ccc(cc1Br)F	WJ7	2-bromo-4-fluoro-n,n-dimethylbenzamide
+Cc1cc(no1)CS(=O)(=O)NC	WJA	n-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
+COCC(=O)Nc1ccccc1	WJD	2-methoxy-n-phenylacetamide
+COc1ccc(cc1)[C@@H](c2ccccc2)N	WJG	(s)-1-(4-methoxyphenyl)-1-phenylmethanamine
+C[C@@H](Cc1ccc(cc1)Br)C(=O)N	WJJ	(2r)-3-(4-bromophenyl)-2-methylpropanamide
+c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)N	WJM	2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
+C[C@H](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC	WJP	methyl (3r,6z,10e,14e)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate
+[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[C@H](CO[PH](=O)(O)OC[C@@H](C(=O)O)[NH3])O	WJS	(2~{s})-2-$l^{4}-azanyl-3-[[(2~{r})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid
+Cc1c(sc(n1)NC(=O)NCCOCCC(C)(C)C)C#Cc2ccncc2	WJV	n-[2-(3,3-dimethylbutoxy)ethyl]-n'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea
+C[C@@H](C(=O)NCC(=O)O)S	WJZ	tiopronin
+C/C=C(\C)/[C@H]1C=C[C@H]2C[C@H](C[C@H]([C@@H]2[C@H]1/C(=C\3/C(=O)[C@@H](NC3=O)C[C@@](C)(C(=O)O)O)/O)C)C	WK1	(2s)-3-[(2s,4e)-4-[[(1r,2s,4ar,6s,8r,8as)-2-[(e)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid
+CN(C)C(=O)OCCn1ccnc1	WK4	2-(1h-imidazol-1-yl)ethyl dimethylcarbamate
+c1cc(c(cc1C#N)F)N2CCNCC2	WK7	3-fluoro-4-(piperazin-1-yl)benzonitrile
+CC(=O)Nc1cccc2c1non2	WKA	n-(2,1,3-benzoxadiazol-4-yl)acetamide
+C[C@H](C(=O)N)Oc1ccc(cc1)C#N	WKD	(2r)-2-(4-cyanophenoxy)propanamide
+CC(=O)N1CCCC2(C1)CCCCCC2	WKG	1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one
+c1cc(ccc1CN2CC[C@H](C2)O)Cl	WKJ	(3r)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol
+CC(C)[C@@H](C(=O)N1CCOCC1)N	WKM	(2s)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one
+COc1ccc(cc1)C(=O)C2CCNCC2	WKP	(4-methoxyphenyl)(piperidin-4-yl)methanone
+Cc1cc(nc(n1)C)N2CCNCC2	WKS	2,4-dimethyl-6-(piperazin-1-yl)pyrimidine
+CC(=O)NCc1cc(ccc1OC)Br	WKV	n-[(5-bromo-2-methoxyphenyl)methyl]acetamide
+Cc1cnccc1NC(=O)C	WKY	n-(3-methylpyridin-4-yl)acetamide
+COC(=O)c1ccc(cc1)S	WL1	methyl 4-sulfanylbenzoate
+c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)O	WL3	2-(4-fluorophenyl)carbonylbenzoic acid
+CC(C)C(=O)Nc1cccc(c1)C#N	WL4	n-(3-cyanophenyl)-2-methylpropanamide
+CN(CCO)S(=O)(=O)c1ccc(cc1)N	WL7	4-amino-n-(2-hydroxyethyl)-n-methylbenzene-1-sulfonamide
+C1COCCC1CN2CCNCC2	WLA	1-[(oxan-4-yl)methyl]piperazine
+C[C@@H](CNCc1c(cccc1Cl)Cl)O	WLD	(2s)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
+C1CC2(CC2)CN(C1)C(=O)COC(F)F	WLG	1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one
+CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2	WLH	2-(4-methylpiperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one
+c1cc(c(c(c1)F)C(=O)N2CCCCCC2)F	WLJ	(azepan-1-yl)(2,6-difluorophenyl)methanone
+COc1cccc(c1)CNC(=O)C2=Nc3c(ccs3)C(=O)N2	WLL	n-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide
+CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3OC)Cl	WLM	5-chloro-2-methoxy-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide
+c1ccc(c(c1)S)Cl	WLP	2-chlorobenzene-1-thiol
+c1cc(sc1)CNCc2ccncc2	WLS	1-(pyridin-4-yl)-n-[(thiophen-2-yl)methyl]methanamine
+C[C@H](C[C@@H](C(=O)O)NC)CO	WLU	(4r)-5-hydroxy-n-methyl-l-leucine
+c1ccc(cc1)OCC(=O)Nc2cccc(c2)F	WLV	n-(3-fluorophenyl)-2-phenoxyacetamide
+Cc1ccc(cc1)CC(=O)NC[C@@H]2CCCO2	WLY	2-(4-methylphenyl)-n-{[(2s)-oxolan-2-yl]methyl}acetamide
+c1ccnc(c1)C(=O)N	WM1	pyridine-2-carboxamide
+C1CCC(CC1)C(=O)N	WM2	cyclohexanecarboxamide
+c1ccc(cc1)S(=O)(=O)NN	WM3	benzenesulfonohydrazide
+c1ccc(cc1)C(=O)NN	WM4	benzohydrazide
+c1ccc(cc1)CN[C@H]2CCNC2	WM7	(3s)-n-benzylpyrrolidin-3-amine
+C[C@@]1(N=C(CCO1)N)c2cccc(c2)c3cccc(c3)Cl	WM9	(2s)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine
+CC[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3	WMA	(3s,6s)-3-ethyl-6-[(1h-indol-3-yl)methyl]piperazine-2,5-dione
+C[C@H](c1ccccc1F)N2CCNCC2	WMD	1-[(1r)-1-(2-fluorophenyl)ethyl]piperazine
+C[C@@H](c1ccccc1F)N2CCNCC2	WMG	1-[(1s)-1-(2-fluorophenyl)ethyl]piperazine
+Cn1ccnn1	WMH	1-methyl-1h-1,2,3-triazole
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-])O	WMJ	1-[[(2r,3s,5s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea
+c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3	WMM	n-phenyl-4-[(4h-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-thiazol-2-amine
+[B-]12(c3cc(ccc3CO1)[C@@H](c4ccccc4)O)O[C@H]5[C@@H](O[C@H]([C@@H]5O2)n6cnc7c6ncnc7N)COP(=O)(O)O	WMP	[(1r,5r,6r,8s)-6-(6-aminopurin-9-yl)-3'-[(r)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
+CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C	WMR	5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine
+Cc1ncc(s1)CNc2cc(cnc2)F	WMS	5-fluoro-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
+Cc1c(c(on1)C)C(=O)NCCC2CCCCC2	WMV	n-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
+c1cc(cc(c1)Cl)C(=O)Nc2ccon2	WMY	3-chloro-n-(1,2-oxazol-3-yl)benzamide
+COc1cccc(c1)C(=O)Nc2ccccc2F	WN1	n-(2-fluorophenyl)-3-methoxybenzamide
+Cc1cccc(n1)NC(=O)[C@@H]2CCCN2	WN4	n-(6-methylpyridin-2-yl)-l-prolinamide
+C[C@H](N)P(=O)(C[C@@H](CCc1ccccc1)C(=O)O)O	WN6	(2s)-2-{[(s)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
+Cc1cc(cnc1)NCc2ccncc2	WN7	5-methyl-n-[(pyridin-4-yl)methyl]pyridin-3-amine
+Cc1ccccc1CNc2nnnn2C	WNA	1-methyl-n-[(2-methylphenyl)methyl]-1h-tetrazol-5-amine
+CC(C)(CNC1CCOCC1)O	WND	2-methyl-1-[(oxan-4-yl)amino]propan-2-ol
+c1ccc(cc1)/C=C\Nc2[nH]c3ccccc3n2	WNG	n-[(z)-2-phenylethenyl]-1h-benzimidazol-2-amine
+O=[W]1234O[Ni]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8	WNI	ni-substituted alpha-keggin
+c1ccnc(c1)NC[C@@H]2CCNC2	WNJ	n-{[(3r)-pyrrolidin-3-yl]methyl}pyridin-2-amine
+c1ccc(cc1)S(=O)(=O)N2CC[C@@H](C2)N	WNM	(3s)-1-(phenylsulfonyl)pyrrolidin-3-amine
+c1ccc2c(c1)C(=O)NC(=N2)C(=O)NCc3cccc(c3)OCCSc4nc[nH]n4	WNN	4-oxo-n-{3-[2-(1h-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide
+c1cc(cc(c1)Cl)NC(=O)C(F)(F)F	WNP	n-(3-chlorophenyl)-2,2,2-trifluoroacetamide
+CCCC(=O)Nc1cccnc1Cl	WNS	n-(2-chloropyridin-3-yl)butanamide
+Cc1cccc(c1C)C(=O)N(C)C	WNV	n,n,2,3-tetramethylbenzamide
+CC(=O)N1CCN(CC1)c2ccc(cc2)Cl	WNY	1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one
+CN1CCC[C@H](C1)OC(=O)c2ccco2	WO1	(3r)-1-methylpiperidin-3-yl furan-2-carboxylate
+[O][W]1234O[W]567(O[W]89%10(O5[P]5%11O%12[W]%13%14(O6)(O[W]6%15(O1)(O[W]1%16%17(O6[P]6%18O2[W]2(O8)(O3)(O[W]38%19(O6[W](O3)(O1)(O[W]136(O5[W](O8)(O1)(O9)(O[W]15(O%10)(O%118[W](O7)(O%13)(O1)(O[W]8(O3)(O5)(O[W]%12(O%16)(O%14)(O6)[O])[O])[O])[O])[O])[O])(O[W]13(O%17)(O%185[W](O4)(O%15)(O1)(O[W]5(O2)(O%19)(O3)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	WO2	octadecatungstenyl diphosphate
+O=[W]=1=2(=O=[W]=3(=O1=[W](=O2)(=O3)(=O)(=O)=O)(=O)(=O)=O)(=O)=O	WO3	tri-tungsten(vi) oxide complex
+[O-][W](=O)(=O)[O-]	WO4	tungstate(vi)ion
+O[W](O)(O)(O)O	WO5	tungstate(vi) ion
+[O-][W](=O)([O-])[O-]	WO6	trioxido(oxo)tungsten
+CC(=O)N1CCCNCC1	WO7	1-(1,4-diazepan-1-yl)ethan-1-one
+CN[C@H]1CCCN(C1=O)c2ccccc2	WOA	(3s)-3-(methylamino)-1-phenylpiperidin-2-one
+CC(C)(CC(=O)O)C(=O)O	WOC	2,2-dimethylbutanedioic acid
+C1CNC[C@@H]1c2nc(no2)C3CC3	WOD	3-cyclopropyl-5-[(3r)-pyrrolidin-3-yl]-1,2,4-oxadiazole
+COc1ccccc1c2cc(nc(n2)N)Cl	WOE	4-chloro-6-(2-methoxyphenyl)pyrimidin-2-amine
+CCCC/C(=C/COP(=O)(O)O)/C	WOG	(2e)-3-methylhept-2-en-1-yl dihydrogen phosphate
+C[C@H]1CN(CC[C@H]1N)S(=O)(=O)C	WOJ	(3s,4r)-3-methyl-1-(methylsulfonyl)piperidin-4-amine
+c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N	WOM	picloram
+C([C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O	WOO	beta-l-allopyranose
+CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)N[C@@H](c3ccccc3)C(=O)NCc4ccccc4	WOP	5-[[methyl-[[(1s)-2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]carbamoyl]amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCOCC3	WOS	4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine
+c1ccc(cc1)[NH3+]	WOT	phenylazanium
+Cc1ccc(n1c2ccc(cc2C(=O)O)O)C	WOV	2-(2,5-dimethyl-1h-pyrrol-1-yl)-5-hydroxybenzoic acid
+Cc1ccccc1CN(c2ccc(c(c2)Cl)C#N)[C@H]3CC[N@@](C3)S(=O)(=O)C	WOW	2-chloro-4-{(2-methylbenzyl)[(3s)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile
+c1c2c(ncn1)NCC2	WOY	6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidine
+CC1(Cc2cccc(c2O1)C(=O)N)C	WP1	2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
+c1ccc(cc1)CN[C@@H]2CCNC2	WP4	(3r)-n-benzylpyrrolidin-3-amine
+CC1=Nc2ccc(cc2[C@@H](N1CC(=O)OC)c3ccccc3)Br	WP5	methyl [(4s)-6-bromo-2-methyl-4-phenylquinazolin-3(4h)-yl]acetate
+CC1=Nc2ccc(cc2[C@@H](N1Cc3ccccc3)c4ccccc4)Cl	WP6	(4s)-3-benzyl-6-chloro-2-methyl-4-phenyl-3,4-dihydroquinazoline
+CC1=Nc2ccc(cc2[C@@H](N1CCN3CCN(CC3)C(=O)c4ccco4)c5ccccc5)Cl	WP7	(4s)-6-chloro-3-{2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethyl}-2-methyl-4-phenyl-3,4-dihydroquinazoline
+CO[C@H](c1ccccc1)[C@@H](C(=O)O)N	WPA	(betar)-beta-methoxy-l-phenylalanine
+c1ccc2c(c1)c3nc-4[n+]5c(nc6c7ccccc7c8n6[Fe]59n3c2nc-1[n+]9c(n8)-c2c1cccc2)-c1c4cccc1	WPC	[29h,31h-phthalocyaninato(2-)-kappa~4~n~29~,n~30~,n~31~,n~32~]iron
+CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)C[C@H](C(F)F)C(=O)O	WPD	(2s)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
+CC1=Nc2ccc(cc2[C@@H](N1CCNC(=O)c3ccco3)c4ccccc4)Cl	WPE	n-{2-[(4s)-6-chloro-2-methyl-4-phenylquinazolin-3(4h)-yl]ethyl}furan-2-carboxamide
+Cc1ccc(cc1)[C@H]2c3cc(ccc3N=C(N2CCCN(C)C)C)Cl	WPF	3-[(4s)-6-chloro-2-methyl-4-(4-methylphenyl)quinazolin-3(4h)-yl]-n,n-dimethylpropan-1-amine
+c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N	WPG	(3-{(3r,4r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-[(2r)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropy l)phosphonic acid
+CN(C)CCOc1ccc(cc1)c2cc3c(ncnc3o2)NCCc4ccc(cc4)NC(=O)Nc5ccccc5	WPH	1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea
+COc1cc(cc(c1OC)OC)C=CCCCN2CCCN(CC2)CCC/C=C/c3cc(c(c(c3)OC)OC)OC	WPI	1,4-bis[(4e)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane
+CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)C[C@@H](C(F)F)C(=O)O	WPJ	(2r)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
+C[C@H]1C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O	WPL	(1~{s},3~{s},4~{r},5~{r})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
+Cc1cc2cn[nH]c2c(c1)S(=O)(=O)N(C)CC(=O)NC3=CC(=O)N(C=C3)C	WPM	n~2~-methyl-n~2~-[(5-methyl-1h-indazol-7-yl)sulfonyl]-n-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O	WPP	piperacillin
+Cc1c(c([nH]n1)N)C#N	WPS	5-amino-3-methyl-1h-pyrazole-4-carbonitrile
+c1c(cncc1Br)CN	WPV	1-(5-bromopyridin-3-yl)methanamine
+CC(=O)Nc1nccs1	WPY	n-(1,3-thiazol-2-yl)acetamide
+Cc1ccncc1CO	WQ1	(4-methylpyridin-3-yl)methanol
+Cc1nc(c(o1)N)C#N	WQ4	5-amino-2-methyl-1,3-oxazole-4-carbonitrile
+C1=CC(=O)N(C=C1)CCN	WQ7	1-(2-aminoethyl)pyridin-2(1h)-one
+c1c2c[nH]nc2ncc1N	WQA	2h-pyrazolo[3,4-b]pyridin-5-amine
+C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)NC=O	WQD	udp-4-deoxy-4-formamido-beta-l-arabinopyranose
+c1ccc2c(c1)C(=O)NC=N2	WQG	quinazolin-4(3h)-one
+c1c(cnc2c1COCC2)N	WQJ	7,8-dihydro-5h-pyrano[4,3-b]pyridin-3-amine
+CNC(=O)C1C=CC(=O)N=C1	WQM	(3s)-n-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide
+CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)OP(=O)(O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	WQP	5-(acetylamino)-3,5-dideoxy-2-o-phosphono-d-erythro-l-manno-nononic acid
+Cc1c(c(on1)C)C2=C(N(C(=O)C(=C2)C(=O)NCc3ccc(cc3)S(=O)(=O)C)c4cccc(c4)Cl)C	WQQ	1-(3-chlorophenyl)-5-(3,5-dimethylisoxazol-4-yl)-6-methyl-n-[4-(methylsulfonyl)benzyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
+c1cc2c(cc1F)[C@@H](C(=O)N2)CC(=O)O	WQS	2-[(3s)-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid
+CC(=O)NC1=CC(=CNC1=O)Br	WQV	n-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide
+c1ccc2c(c1)cc(cn2)CN	WQY	1-(quinolin-3-yl)methanamine
+C[C@H](C(=O)CCO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2	WR1	nalpha-[(benzyloxy)carbonyl]-n-[(1r)-4-hydroxy-1-methyl-2-oxobutyl]-l-phenylalaninamide
+CC(C)C[C@H]([C@H](CNC(=O)c1nccs1)C(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C	WR2	(2r,3r)-n^1^-[(1s)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-n^4^-hydroxy-2-(2-methylpropyl)-3-{[(1,3-thiazol-2-ylcarbonyl)amino]methyl}butanediamide
+Cc1ncc(n1CCOC(=O)N[C@H](C(Cl)(Cl)Cl)Nc2ncccn2)[N+](=O)[O-]	WR7	2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl [(1r)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate
+CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C	WRA	6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine
+CC1(N=C(N=C(N1OCCCOc2ccc(cc2)Br)N)N)C	WRB	1-[3-(4-bromo-phenoxy)-propoxy]-6,6-dimethyl-1.6-dihydro-[1,3,5]triazine-2,4-diamine
+c1cc2c(c(c1)O)CCC[C@H]2N	WRD	(5r)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol
+[H]/N=C(\NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O)NC(=O)C)/NC(=O)NC	WRG	(2s)-2-[[(2s)-2-acetamido-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid
+c1ccc2c(c1)C=C(CO2)C(=O)N	WRJ	2h-1-benzopyran-3-carboxamide
+CNC(=O)Cn1cnc2c1cccc2	WRM	2-(1h-benzimidazol-1-yl)-n-methylacetamide
+c1cc(cc(c1)C(F)(F)F)CCC2=C(NC(=O)NC2=O)C(=O)O	WRO	2,6-dioxo-5-{2-[3-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@H](C(C)(C)n1cc(c2c1cccc2)[C@H]([C@@H](C(=O)O)N)O)O	WRP	(betar)-beta-hydroxy-1-[(3r)-3-hydroxy-2-methylbutan-2-yl]-l-tryptophan
+C[C@@H](C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O)O	WRR	4-hydroxy-3-[(1s,3r)-3-hydroxy-1-phenylbutyl]-2h-chromen-2-one
+C[C@H](C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O)O	WRS	4-hydroxy-3-[(1s,3s)-3-hydroxy-1-phenylbutyl]-2h-chromen-2-one
+Cc1ccc(cc1F)NC(=O)N[C@@H](C)CO	WRV	n-(3-fluoro-4-methylphenyl)-n'-[(2s)-1-hydroxypropan-2-yl]urea
+Cc1c(cc2ccc(cc2n1)F)C(=O)NC	WRY	7-fluoro-n,2-dimethylquinoline-3-carboxamide
+c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O	WS1	6-(1-beta-d-glucopyranosyloxymethyl)-n-(5'-deoxyluridine-5'-yl)picolinamide
+c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@H]4[C@H]([C@H]([C@H]([C@H](O4)CO)O)O)O	WS2	6-(1-beta-d-galactopyranosyloxymethyl)-n-(5'-deoxyluridine-5'-yl)picolinamide
+c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O	WS3	5'-deoxy-5'-[({6-[(alpha-d-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine
+Cn1cc(cn1)C(=O)Nc2ccc(cc2)O	WS4	n-(4-hydroxyphenyl)-1-methyl-1h-pyrazole-4-carboxamide
+CC12CCCC(=O)C1=NC3=C(N2)N=C(NC3=O)N	WS6	(9as)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3h,7h)-dione
+CC12CCCCC1=NC3=C(N2)N=C(NC3=O)N	WS7	(9as)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3h)-one
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N	WSA	5'-o-[(l-tryptophylamino)sulfonyl]adenosine
+CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N	WSD	6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3h)-one
+CCn1cc(cn1)NC(=O)c2ccc(cc2)F	WSG	n-(1-ethyl-1h-pyrazol-4-yl)-4-fluorobenzamide
+Cc1nnc2n1-c3ccccc3C(=N[C@H]2NC(=O)OCc4ccccc4)c5ccccc5	WSH	benzyl [(4r)-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate
+CC1=C(C(=O)N(N1C)c2ccccc2)NS(=O)(=O)C	WSJ	n-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)methanesulfonamide
+CN(C)C[C@@H](Cn1c2ccc(cc2c3c1ccc(c3)Br)Br)O	WSK	(2s)-1-(3,6-dibromo-9h-carbazol-9-yl)-3-(dimethylamino)propan-2-ol
+c1ccc2c(c1)N(C(=O)CO2)CCCN	WSM	4-(3-aminopropyl)-2h-1,4-benzoxazin-3(4h)-one
+O=[Mo]12(=O)(=O)O[Mo]34(=O)(=O)[O+]1[Mo]567(=O)[O+]2[Mo]89(=O)(=O)[O+2]51[Mo]2(=O)(=O)(O8)O[Mo]5(=O)(=O)(=O)[O+]2[Mo]11(=O)([O+2]36[Mo](=O)(=O)([O+]51)(O4)O7)O9	WSQ	octamolybdate
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	WSS	tri(methyl)-[2-[[(2~{r})-2-[(~{z})-octadec-9-enoyl]oxy-3-[(~{e})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium
+c1cc(c2c(c1)O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O	WST	(3as,4r,9br)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-9-ol
+Cc1nc(n(n1)CCC(=O)O)C	WSY	3-(3,5-dimethyl-1h-1,2,4-triazol-1-yl)propanoic acid
+C(C[C@@H](C(=O)O)N)CNC(=N)C=O	WT2	(s)-2-amino-5-(2-oxoacetimidamido)pentanoic acid
+CSC[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N	WT4	n-[(5s)-5-amino-5-carboxypentanoyl]-l-homocysteyl-s-methyl-d-cysteine
+CCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	WT7	5'-o-[(s)-butoxy(hydroxy)phosphoryl]adenosine
+CCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	WTA	5'-o-[(s)-ethoxy(hydroxy)phosphoryl]adenosine
+c1ccc(cc1)CC2=Nc3c(cnn3C4CCCC4)C(=O)N2	WTC	6-benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O	WTD	2-(2,6-difluorophenyl)-5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide
+CCS(=O)(=O)c1ccccc1C(=O)N2CCN(C[C@@H]2C)c3nc4ccc(cc4s3)F	WTF	[2-(ethylsulfonyl)phenyl][(2s)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone
+COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3F)O	WTG	2-(2-fluorophenyl)-5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide
+c1cc(ccc1c2cc(cnc2N)c3c4c(cs3)OCCO4)C(=O)N	WTI	4-[2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridin-3-yl]benzamide
+CN(C)CCNC(=O)c1cc(cnc1N)c2c3c(cs2)OCCO3	WTJ	2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-n-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
+COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3F)O	WTM	2-(2-fluorophenyl)-5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC[C@H]4CCCO4)Cl	WTP	5-chloro-n~2~-[4-(4-methylpiperazin-1-yl)phenyl]-n~4~-{[(2r)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine
+C[C@H]([C@](C)(C(=O)O)O)O	WTZ	(2r,3r)-2,3-dihydroxy-2-methylbutanoic acid
+Cc1c(c(on1)C)c2ccn3c(c2)nc(c3NC4CCCCC4)CCc5ccc(c(c5)Cl)OC	WU1	2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{n}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine
+C[C@H]1CCC[C@]23N1C[C@@]4(Cc5c6cccc(c6[nH]c5C([C@H]4C2)(C)C)CC=C(C)C)NC3=O	WU4	(6ar,7as,11s,13as)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5h,13h-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one
+CCCCCCCCCCCCC/C=C/[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCCCC)O	WU7	(4s,7s,17z)-4-hydroxy-7-[(1s,2e)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium
+CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](/C=C/CCCCCCCCCCCCC)O	WUA	(4r,7s)-4-hydroxy-7-[(1s,2e)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium
+c1ccc2c(c1)N[C@H]3[C@@H](CC=CC3=N2)C(=O)O	WUB	(1r,10as)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid
+Cc1c([nH]c(n1)C)CN	WUG	1-(2,4-dimethyl-1h-imidazol-5-yl)methanamine
+c1cc(oc1)CNC(=O)N	WUJ	n-[(furan-2-yl)methyl]urea
+c1cc2c(cc1Br)c3c(o2)C(=O)NC(=N3)CN4CC[C@@H](C4)O	WUL	8-bromanyl-2-[[(3s)-3-oxidanylpyrrolidin-1-yl]methyl]-3h-[1]benzofuro[3,2-d]pyrimidin-4-one
+CN(C)Cc1csc(n1)N	WUM	4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
+c1cc(ccc1CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O)CO)Cl	WUN	2-amino-4-o-(4-chlorobenzyl)-2-deoxy-alpha-d-glucopyranose
+c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4)C=C9)c1ccccc1	WUP	5,15-diphenylporphyrin containing fe
+Cc1[nH]c2c(n1)C[C@@H](CC2)N	WUS	(5r)-2-methyl-4,5,6,7-tetrahydro-1h-benzimidazol-5-amine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CS)O	WUV	5'-thiothymidine
+c1ccc(cc1)NC(=O)NCCN	WUY	n-(2-aminoethyl)-n'-phenylurea
+C[C@H](c1ccc(cc1)NC(=O)C2CC2)N	WV1	n-{4-[(1r)-1-aminoethyl]phenyl}cyclopropanecarboxamide
+CCNc1ccc(cc1F)S(=O)(=O)C	WV4	n-ethyl-2-fluoro-4-(methylsulfonyl)aniline
+c1cc2c(cc1O)CCN(C2)C(=O)C(F)(F)F	WV7	2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
+c1cc2c(cc1CN)nc(n2CCCC(F)(F)F)CN3c4cc(ccc4C5(C3=O)CC5)F	WVA	1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1h-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'h)-one
+Cc1c(scn1)C(=O)N2CCNC(=O)C2	WVD	4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6F)F	WVH	4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide
+Cc1c(c([nH]n1)N)c2cccs2	WVI	3-methyl-4-(thiophen-2-yl)-1h-pyrazol-5-amine
+C[C@H](C=C(C)C)[C@@H](C(=O)O)N	WVL	(2s,3r)-2-amino-3,5-dimethylhex-4-enoic acid
+C#CC1=C2C=CC3=[N]2[Fe]45n6c1ccc6C(=C7[N]4=C(C=C7)C(=C8N5C(=C3c9ccccc9)C=C8)C#C)c1ccccc1	WVP	5,15-bisethynyl-10,20-diphenylporphyrin containing fe
+c1ccc(c(c1)c2cccc(c2)C(=O)O)F	WVV	3-(2-fluorophenyl)benzoic acid
+C[P@](=O)(OC1CCCCC1)F	WW2	cyclohexyl (s)-methylphosphonofluoridoate
+c1cc(ccc1/N=N/N2CCCCCC2)S(=O)(=O)N	WW3	4-[(e)-azepan-1-yldiazenyl]benzenesulfonamide
+c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN	WW7	n-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide
+C[N@@](CCCN(C)C)[C@H]1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5)Cl)c6ccccc6	WW8	n-[(3s)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-1h-indol-2-yl}carbonyl)pyrrolidin-3-yl]-n,n',n'-trimethylpropane-1,3-diamine
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CC(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O	WWF	c2-1-hydroxy-3-methyl-butyl-thiamin
+c1ccc(cc1)S(=O)(=O)c2ccc(s2)S(=O)(=O)N	WWL	5-(phenylsulfonyl)thiophene-2-sulfonamide
+c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	WWO	3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N	WWV	4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
+c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	WWX	2,3,6-trifluoro-5-{[(1r,2s)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)F	WWZ	4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide
+[H]/N=C(\N)/NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CO)Cl)NS(=O)(=O)Cc3ccccc3	WX5	(2s)-1-[(2r)-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]-n-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
+[B-]1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)(O)O	WXM	2-[(3~{r},6~{s})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid
+c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1	WXP	5,10,15-triphenylporphyrin cpntaining fe
+CNC(=O)c1c2ccc3cnc(nc3c2n(n1)C)NC4CCN(CC4)S(=O)(=O)C	WXV	n,1-dimethyl-8-{[1-(methylsulfonyl)piperidin-4-yl]amino}-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl	WY1	2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid
+c1c(nc2n1c3c(s2)CCC3)[C@H]4C(=CN=C(CS4)C(=O)O)C(=O)O	WY2	(6,7-dihydro-5h-cyclopenta[d]imidazo[2,1-b]thiazol-2-yl]-4,7-dihydro[1,4]thiazepine-3,6-dicarboxylic acid
+c1cc2c(cc1O)OC(=O)C=C2CN3CCOCC3	WY3	7-hydroxy-4-(morpholinomethyl)chromen-2-one
+c1c(nc2n1CCOC2)[C@H]3C(=CN=C(CS3)C(=O)O)C=O	WY4	7-(5,6-dihydro-8h-imidazo[2,1-c][1,4]oxazin-2-yl)-6-formyl-2,7-dihydro- [1,4]thiazepine-3-carboxylic acid
+Cc1cc2c(cc1c3cc4c(cc3O)OC(=O)C(=C4)C(=O)O)C(CCC2(C)C)(C)C	WY5	7-oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid
+CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)C#CCN)O)O)NC(=O)C	WYD	~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-4-[[1-[[3-(3-azanylprop-1-ynyl)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide
+Cn1cc(c2c1nccc2N3CCN(CC3)C)/C=C\4/C(=O)c5c(cc(cc5O4)O)O	WYE	(2z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2h)-one
+COc1ccc2c(c1)c(c3n2CCNC3)/C=C\4/C(=O)c5c(cc(cc5O4)O)O	WYF	(2z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2h)-one
+C#CC1=C2C=CC3=C(C4=[N]5C(=Cc6ccc7n6[Fe]5(N23)[N]8=C1C=CC8=C7c9ccccc9)C=C4)c1ccccc1	WYP	5-ethynyl-10,20-diphenylporphyrin containing fe
+CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)NC(=O)OC(C)C	WYQ	propan-2-yl {[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1h-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}carbamate
+CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	WYV	myristoyl coenzyme a
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	WZ1	methyl 3-s-alpha-d-mannopyranosyl-3-thio-alpha-d-mannopyranoside
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)S[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	WZ2	methyl alpha-d-mannopyranosyl-(1->3)-[alpha-d-mannopyranosyl-(1->6)]-3-thio-alpha-d-mannopyranoside
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@H]3O)OC)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CS[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)CO)O)O)CO)O)O	WZ4	methyl 2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1->2)-alpha-d-mannopyranosyl-(1->3)-[alpha-d-mannopyranosyl-(1->6)-6-thio  -alpha-d-mannopyranosyl-(1->6)]-beta-d-mannopyranoside
+CCOCCOc1cc2c(cc1n3c4ccc(cc4nc3C(F)(F)F)C(=O)O)C(CCC2(C)C)(C)C	WZ6	1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
+c1cnc(cc1C(=O)N)NC2CC=CC2	WZ7	2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)OS(=O)(=O)N)OC	WZA	(9beta,14beta,17beta)-17-hydroxy-2-methoxyestra-1,3,5(10)-trien-3-yl sulfamate
+CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OS(=O)(=O)N)C	WZB	(9beta,13alpha,14beta,17alpha)-2-ethylestra-1(10),2,4-triene-3,17-diyl disulfamate
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)O)OC	WZC	(13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate
+c1ccc2c(c1)[nH]c(n2)NCc3ccco3	WZD	n-[(furan-2-yl)methyl]-1h-benzimidazol-2-amine
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC)O	WZG	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(methylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name)
+CC[C@@H](C)[C@@H](C(=O)O)NC	WZJ	n-methyl-l-alloisoleucine
+CN(c1ccc(nn1)C(=O)N)C2CCC2	WZM	6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@@](=O)(OP(=O)(O)O)S)O)OC	WZO	[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate
+CC(C)C(=O)N1CCN(CC1)C(C)C	WZP	2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
+CC(=O)N1CCC(CC1)NCCc2ccccc2	WZS	1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one
+c1ccc(cc1)COP(=O)(O)O	WZT	(phenylmethyl) dihydrogen phosphate
+C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F	WZV	5-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((s)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide
+COc1ccc(cc1)NC(=O)CN	WZY	n-(4-methoxyphenyl)glycinamide
+COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)[n+]6cn(c7c6C(=O)NC(=N7)N)[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O)O	X	2'-deoxy-n7-(8,9-dihydro-9-hydroxy-10-dehydroxy-aflatoxin)guanosine monophosphate
+C[Si](C)(c1cc(cc(c1)SC)C(=O)N2CCC(CC2)c3cccc(c3)CN)O[Si](C)(C)c4cc(cc(c4)SC)C(=O)N5CCC(CC5)c6cccc(c6)CN	X00	{(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
+c1cc(c(cc1C#N)c2ncnc(n2)N)O	X01	3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile
+C=CCNc1nc(c(s1)C(=O)c2ccccc2)N	X02	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone
+CCC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1	X03	(5r)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide
+Cc1c(c(c(c(n1)N)COP(=O)(O)O)C=O)O	X04	(2-amino-4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+C1C[N@@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)N	X05	amino-castanospermine
+c1cc(c(cc1Cl)c2nc(nc(n2)N)N)O	X06	4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol
+c1cc(cnc1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]	X07	5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+C1C[N@]2[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)CN	X09	amino-australine
+c1ccc(cc1)Nc2nc(nc(n2)N)c3cc(ccc3O)Cl	X0A	2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
+c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5nc(c(s5)CCCOc6ccc(cc6)CN)C(=O)O	X0B	5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid
+CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCC(C)C)C(=O)O	X0D	(r)-2-(3-(3-((2,4-difluoropenyl)ethynyl)benzoyl)-3-propylureido)-3-(isobutylthio) propanoic acid
+C1CC1c2nc(on2)CN3CCOCC3	X0G	4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
+CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5cccc(c5)c6ccccc6	X0J	4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-n-{[4-({(1r)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide
+CC(=O)N[C@H]1Cc2ccccc2NC1	X0M	n-[(3s)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide
+CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3ccccc3cc2C(=O)NCc4ccc(cc4)OC	X0P	2-methoxy-6-[[[3-[(4-methoxyphenyl)methylcarbamoyl]naphthalen-2-yl]methyl-methyl-amino]methyl]benzoic acid
+c1cc(cc(c1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N)C#N	X0Q	5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
+CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCc3ccc(cc3)Br)C(=O)O	X0R	(r)-3-(4-bromobenzylthio)-2-(3-(3-((2,4-difluorophenyl)ethynyl)benzoyl)-3-propylureido)propanoic acid
+CNS(=O)(=O)c1ccccc1Cl	X0S	2-chloro-n-methylbenzene-1-sulfonamide
+CN1c2c(n(cn2)C[C@@H](CO)O)C(=O)N(C1=O)C	X0T	7-[(2s)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+c1c2c(cc3c1OCCO3)sc(n2)N	X0U	6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
+c1cc(c(cc1C(F)(F)F)N)N	X0V	4-(trifluoromethyl)benzene-1,2-diamine
+Cc1nc2cc(c(cc2s1)OC)OC	X0W	5,6-dimethoxy-2-methyl-1,3-benzothiazole
+[C@@H]1([C@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O	X0X	beta-d-talopyranuronic acid
+CN1c2c[nH]cc2C(=O)N(C1=O)C	X0Y	1,3-dimethyl-1h-pyrrolo[3,4-d]pyrimidine-2,4(3h,6h)-dione
+c1ccc(c(c1)c2nc(nc(n2)N)N)O	X11	2-(4,6-diamino-1,3,5-triazin-2-yl)phenol
+[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccc(cc1)O)C(=O)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N/[H])/N)N)NC(=O)[C@@H](Cc3ccc(cc3)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N\[H])/N)N)NC(=O)[C@@H](Cc4ccc(cc4)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N\[H])/N)N)N	X12	2-[[(2s)-2,6-bis[[(2s)-2,6-bis[[(2r)-2-[[(2r,3r)-2-[[(2r)-2-amino-5-carbamimidamido-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoic acid
+C[N+](C)(C)CCCCCCCCCCCCCSS(=O)(=O)C	X13	n,n,n-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium
+CCC(C)(C)[C@@H]1CCc2c(c([nH]n2)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C1	X14	(5r)-5-(2-methylbutan-2-yl)-n-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide
+C([C@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O	X15	1,3-bisphosphoglyceric acid
+Cc1nc2cc(ccc2c(n1)N)c3cccc(c3)S(=O)(=O)NC(=O)[C@H]([C@@H](C)O)N	X16	n-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide
+Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)C34CC5CC(C3)CC(C5)C4	X17	(5s)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4h-imidazol-4-one
+CCC(C)(C)[C@H]1CCc2c(c([nH]n2)C(=O)NC)C1	X19	(5s)-n-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide
+Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C	X1A	n-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C	X1E	(2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+CC(C)CC(=O)NCc1ccc2c(c1)OCO2	X1G	n-[(2h-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide
+COc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O	X1H	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl](4-methoxyphenyl)methanone
+CC(=O)N1Cc2ccc(cc2C1)N	X1J	1-(5-amino-1,3-dihydro-2h-isoindol-2-yl)ethan-1-one
+CNCc1cccc(n1)OC	X1M	1-(6-methoxypyridin-2-yl)-n-methylmethanamine
+Cc1nc2c(s1)-c3c(cnc(n3)N=C4CC=CC(=C4)[N+](=O)[O-])CC2	X1N	2-methyl-n-[(1z)-3-nitrocyclohexa-2,4-dien-1-ylidene]-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-8-amine
+C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O	X1P	1-o-phosphono-alpha-d-xylopyranose
+CCCS(=O)(=O)CCC(=O)O	X1R	3-(propylsulfonyl)propanoic acid
+C(CS(=O)(=O)O)C(=O)O	X1S	3-sulfopropanoic acid
+[C@@H]1([C@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O	X1X	alpha-d-talopyranuronic acid
+C1CCC(CC1)N2CC[C@H](N[C@H]2O)O	X1Y	(2r,4r)-1-cyclohexylhexahydropyrimidine-2,4-diol
+CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnco3)Nc4ccc(cc4Cl)C(=O)N(C)C	X20	tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate
+CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)c5cncn5C	X21	tert-butyl 6-{[2-chloro-4-(1-methyl-1h-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CO)N	X22	(3s,6s,7s,9as)-6-{[(2s)-2-aminobutanoyl]amino}-n-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N	X23	(3s,6s,7r,9as)-6-{[(2s)-2-aminobutanoyl]amino}-7-(aminomethyl)-n-(diphenylmethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide
+CC(C)(C)OC(=O)NCC1CCC(CC1)CNC(=O)c2cc(nc3c2cccc3)c4ccc(cc4)CN	X24	tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-yl}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate
+Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5	X25	4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine
+CC(C)Oc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C	X26	11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C	X27	2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+c1ccc(cc1)Cc2ccc(c(c2)c3cccc(c3)CCC(=O)O)C(=O)N	X28	3-(5'-benzyl-2'-carbamoylbiphenyl-3-yl)propanoic acid
+c1cc2nnc(n2cc1Br)c3cc(c(cc3O)O)Cl	X29	4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol
+c1cc(cc(c1)C2CCN(CC2)C(=O)c3cccc(c3)NC(=O)[C@]4(C5(CCC5)O[C@@](O4)(C(=O)Nc6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)C9(CCC9)O)O)CN	X2A	(6s,8r)-n,n'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide
+Cc1cccc(c1)[C@@H]2C[C@H]2NCCO[C@H]3CNC[C@H]3Cc4cc(cc(n4)N)C	X2C	4-methyl-6-{[(3r,4r)-4-(2-{[(1r,2s)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@@H]3C[C@H]3c4cccc(c4)Cl	X2D	6-{[(3r,4r)-4-(2-{[(1r,2s)-2-(3-chlorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@H](C)Cc3cccc(c3)F	X2E	6-{[(3r,4r)-4-(2-{[(2r)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O	X2F	2-deoxy-2-fluoro-alpha-d-xylopyranose
+c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N	X2G	4-{3-[(e)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate
+c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N	X2J	4-{3-chloro-5-[(e)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate
+Cc1cc([nH]c1\C=C/2\c3cc(ccc3NC2=O)N)C	X2K	(3z)-5-amino-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one
+COc1ccc(cc1)\C=C/2\c3cc(ccc3NC2=O)N	X2L	(3z)-5-amino-3-[(4-methoxyphenyl)methylidene]-1,3-dihydro-2h-indol-2-one
+Cc1cc([nH]c1\C=C/2\c3ccccc3NC2=O)C	X2M	(3z)-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one
+CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5C[C@](OC5)(Cn6cncn6)c7ccc(cc7F)F	X2N	posaconazole
+CC[C@@H](C)C(c1ccccc1)(c2ccccc2)SC[C@@H](C(=O)O)N	X2O	(2r)-2-amino-3-[(2r)-2-methyl-1,1-diphenyl-butyl]sulfanyl-propanoic acid
+C[C@@H](CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2[C@@]14CC[C@@H]5[C@H]4C5)O)Cc6ccc(c(c6)Cl)F)O	X2P	(1r,2r,5s)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2s)-2-hydroxypropyl]-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione
+c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)C#N	X2S	4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate
+c1cc2cc(ccc2c(c1)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)OS(=O)(=O)F)C#N	X2V	4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate
+CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O	X2W	n-acetyl-l-glutamyl 5-phosphate
+CC(=O)[C@@](C)(C(=O)O)O	X2X	(2s)-2-hydroxy-2-methyl-3-oxobutanoic acid
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O	X2Y	2,4-di-o-sulfo-alpha-l-fucopyranose
+CCN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C	X30	11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O	X32	n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-phenylalanine
+B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCCS(=O)(=O)N	X33	carborane inhibitor
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)OS(=O)(=O)O	X34	4-o-sulfo-alpha-l-fucopyranose
+C=CCNc1nc(c(s1)C(=O)c2cccnc2)N	X35	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
+c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccccc3)N	X36	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone
+CC(C)(C)c1ccc(cc1)CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+]	X37	4-(4-tert-butylbenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium
+c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	X39	4-amino-n-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
+c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccnc3)N	X3A	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
+Cc1cc(cc(c1OS(=O)(=O)C)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F	X3G	4-{[5-fluoro-4-(3-{[(3r)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1h-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate
+CC[C@@H]1CCC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]([C@@H](C)C/C=C/C)OC)O	X3H	pironetin
+C(CNC(=O)C[C@](CC(=O)O)(C(=O)O)O)N	X3J	(2s)-2-{2-[(2-aminoethyl)amino]-2-oxoethyl}-2-hydroxybutanedioic acid
+CC(C)(C)c1ccc(cc1)CC[C@@](CC(=O)O)(C(=O)O)O	X3M	(2r)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid
+CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCC[N](C)(C)C	X3P	[(2~{r})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate
+Cc1c(cc(s1)C(=O)NC2COC2)n3cc(cn3)NC(=O)Nc4c(cccc4Cl)F	X3S	4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-5-methyl-n-(oxetan-3-yl)thiophene-2-carboxamide
+c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cc(sc3)C(=O)NC4COC4)Cl	X3V	4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(oxetan-3-yl)thiophene-2-carboxamide
+C([C@@H](COP(=O)(O)OC[C@H](CO)O)O)O	X3X	bis[(2s)-2,3-dihydroxypropyl] hydrogen phosphate
+c1cc(c(c(c1)Cl)NC(=O)Nc2cnn(c2)c3cc(sc3)C(=O)NC4COC4)F	X3Y	4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(oxetan-3-yl)thiophene-2-carboxamide
+c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	X40	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCC)CO[P@@](=O)(O)[O-]	X41	1-myristoyl-2-myristoleoyl-sn-glycero-3-phosphate
+c1cc(cc(c1)F)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	X42	4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	X43	4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+c1cc(ccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)S(=O)(=O)N	X44	4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cccnc4	X45	(5s)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4h-imidazol-4-one
+COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccccc3)N	X46	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone
+CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCC3)C(=O)c4c[nH]cn4	X47	n-(4-tert-butylphenyl)-n-[(1r)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1h-imidazole-4-carboxamide
+c1ccc(cc1)C2=NC(=O)C(=CC2)O	X48	3-hydroxy-6-phenylpyridin-2(5h)-one
+C1[C@@H]([C@](O[C@@H]1O)(COP(=O)(O)O)O)O	X4A	[(2r,3s,5s)-2,3,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl	X4B	4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4nc(c5n4cccn5)C	X4C	8-methyl-6-[2-(5-methyl-1-phenyl-1h-benzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine
+Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4ncc5n4nccc5	X4D	7-[2-(5-methyl-1-phenyl-1h-benzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine
+Cc1cc(cc(c1OCCO)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F	X4G	(3r)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1h-pyrrol-3-yl]methyl}pyrrolidin-3-ol
+c1cncnc1O[C@@H]2C[C@@H]3CO[P@](=O)(O[C@@H]4[C@@H]([C@@H](CO[P@](=O)(O[C@H]3C2)S)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)S	X4M	(2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+c1cnc(cc1C(=O)N)Cl	X4P	2-chloropyridine-4-carboxamide
+C1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)S[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)S[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)O)O)O)O	X4S	beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyr  anose
+CN(C)c1ccnc(c1)N	X4V	n~4~,n~4~-dimethylpyridine-2,4-diamine
+C1CCC(CC1)[C@@H]2C[C@@H](ON2)N	X4Y	(3s,5r)-3-cyclohexyl-1,2-oxazolidin-5-amine
+Cc1nc2ccsc2c(n1)N=C3C4=C(C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C)N=N3	X4Z	(3e)-n-[(1s)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)imino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(3h)-carboxamide
+CC(NCCCCN)(O)O	X51	1-[(4-aminobutyl)amino]ethane-1,1-diol
+CCc1c(c(nc(c1C#N)SCc2ccc(cc2)N(C)S(=O)(=O)C)N(C)CCNC)C#N	X52	n-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino)ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-n-methylmethanesulfonamide
+CC(NCCCCNCCCN)(O)O	X54	1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol
+COc1cc(c(cc1O)Br)[C@@H]2N(C(=O)CS2)Cc3ccccc3	X55	(2r)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one
+CC1=C[C@H](N(C[C@@H]1NO[C@@H](C(=O)O)F)C=O)C(=O)N	X57	(2r)-({[(3r,6s)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid
+CC(=O)NCCCCN	X5A	n-(4-aminobutyl)acetamide
+c1cncnc1O[C@@H]2C[C@@H]3COP(=O)(O[C@@H]4[C@@H]([C@@H](COP(=O)(O[C@H]3C2)O)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)O	X5D	(2r,5r,7r,8r,10s,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+Cc1cc(cc(c1OCCN2CCCC2)C)Nc3nccc(n3)n4cc(c(c4)CN5CC(C5)O)C	X5G	1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1h-pyrrol-3-yl}methyl)azetidin-3-ol
+c1cncnc1N[C@@H]2C[C@@H]3CO[P@](=O)(O[C@@H]4[C@@H]([C@@H](CO[P@](=O)(O[C@H]3C2)S)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)S	X5J	(2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+CCN(CC)c1ccc(cc1[N](=O)O)C2=NNC(=O)C[C@H]2C	X5M	(4~{r})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{h}-pyridazin-6-one
+C1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)S[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)S[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)S[C@@H]5CO[C@H]([C@@H]([C@H]5O)O)O)O)O)O	X5S	beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyr  anosyl-(1->4)-4-thio-beta-d-xylopyranose
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X5Y	tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)Cl)C(=O)N	X62	4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide
+c1c(c(cc(c1[N+](=O)[O-])NCCO)NCc2cnc(nc2)N)C(=O)N	X63	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide
+c1ccc(c(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)[N+](=O)[O-]	X64	4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])S(=O)(=O)N	X65	5-nitro-2-[(4-sulfamoylbenzyl)amino]benzamide
+c1cc(c(cc1O)c2nc(nc(n2)N)N)O	X66	2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol
+c1cc(c(cc1F)c2nc(nc(n2)N)N)O	X67	2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol
+COc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2	X69	4-methoxy-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)N)C(=O)N	X6A	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-chloro-5-nitrobenzamide
+c1cc(cc(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	X6B	4-amino-n-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
+CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O	X6C	(2s,4r)-1-ethanoyl-n-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1cc(ccc1CN2CCOCC2)c3[nH]c4c(n3)c(c(cn4)Br)N5CCN(CC5)Cc6ccc(cc6)Cl	X6D	6-bromo-7-[4-(4-chlorobenzyl)piperazin-1-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]-3h-imidazo[4,5-b]pyridine
+Cc1cc(cc(c1)Nc2nccc(n2)n3cc(c(n3)C)CN4CC(C4)O)C	X6G	1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X6J	tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5	X6K	3-(4-morpholin-4-ylpyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol
+c1ccc(cc1)c2ccc(cc2)C(=O)CSc3[nH]c4c(n3)C(=O)NC(=N4)N	X6L	2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,9-dihydropurin-6-one
+Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CNC(=O)c4ccc(c(c4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C6C(F)(F)F)N7C[C@H](N([C@H](C7)C)C)C)F)O	X6M	n-(6-fluoro-3'-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonyl]amino}-4'-[(3r,5s)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-carbonyl)glycyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-{(1s)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-l-prolinamide
+Cn1cccc1c2cccc(c2)C(=O)O	X6P	3-(1-methylpyrrol-2-yl)benzoic acid
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X6S	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X6V	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CNCc1cc(nn1C)c2ccccc2	X6W	methyl-3-methyl-5-phenyl-2h-pyrazol-4-methyl amine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O	X6X	2-amino-2-deoxy-alpha-d-galactopyranose
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)O	X6Y	2-o-sulfo-alpha-l-fucopyranose
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSC[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X71	tert-butyl [(2s)-1-{[(2r)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cncnc2)C(=O)N	X72	4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide
+c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2ccc(nc2)Cl	X73	2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide
+CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X74	tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+c1cc(ncc1CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl)Cl	X75	4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide
+c1ccc(c(c1)C(=O)N)NCc2cccnc2	X76	2-[(pyridin-3-ylmethyl)amino]benzamide
+CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)c4c[nH]cn4	X77	n-(4-tert-butylphenyl)-n-[(1r)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1h-imidazole-4-carboxamide
+[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O	X7A	[(5r)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X7D	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)[C@H](c3ccc(c(c3)F)F)O	X7E	(4r)-5-[(s)-(3,4-difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydropyrimidine-2(1h)-thione
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)cnn4C)CN5CC(C5)O	X7G	1-[(3-methyl-1-{2-[(1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X7J	tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X7M	tert-butyl [(2s)-1-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+C[C@@H]1C[C@@H](N[C@H]1C(=O)O)N	X7O	5-amino-3-methyl-pyrrolidine-2-carboxylic acid
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X7P	tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)c5ccco5	X7V	n-([1,1'-biphenyl]-4-yl)-n-[(1r)-2-oxo-2-{[(1s)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4C)C	X7Y	2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC	X81	1-stearoyl-2-oleoyl-sn-glycero-3-phosphate
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCO	X84	4-[(3-hydroxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCN3CCOCC3	X85	4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+COCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2	X86	4-[(3-methoxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCN	X87	4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cnccn2	X88	5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide
+c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl	X89	1-[(2r)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole
+[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)NC)(O)(O)O	X8A	[(5r)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)
+CC1=CC2=NNC(=O)N2c3c1cccc3	X8D	5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
+CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccncc4	X8E	5-methyl-8-pyridin-4-yl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)Cl)CN5CC(C5)O	X8G	1-[(1-{2-[(3-chloro-1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+CC1=CC2=NNC(=O)N2c3c1cc(cc3)c4cccc(c4)O	X8I	7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
+CCN1c2cnc(nc2N(c3ccccc3C1=O)C)Nc4ccc(cc4OC)N5CCN(CC5)C	X8J	5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CC(C)[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3)C	X8M	ipratropium
+CC1=CC=CC2=[N]1[Ru]34([N]5=C(C=CC=C5)C6=[N]3C(=CC=C6)C7=CC=CC=[N]47)([N]8=C2C=CC=C8C)[N]9=CC=CC(=C9)CCCNC(=O)[C@@H](Cc1ccccc1)SC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	X8P	(tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappan)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~n~1~,n~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~n~1^{1~},n~2^{1~},n~3^{1~})ruthenium
+CC1=CC=CC2=[N]1[Ru]34([N]5=CC=CC=C5C6=[N]3C(=CC=C6)C7=CC=CC=[N]47)([N]8=C2C=CC=C8C)[N]9=CC(=CC=C9)CNC(=O)CCSC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	X8S	(tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappan)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~n~1~,n~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~n~1^{1~},n~2^{1~},n~3^{1~})ruthenium
+c1ccc(cc1)CCCCc2c(nc(s2)c3ccc4c(c3)/C(=N/Nc5nc6ccccc6s5)/CCC4)C(=O)O	X8U	2-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid
+[H]/N=C(\c1ccc(cc1)c2ccc(s2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N	X8V	2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1h-indole-6-carboximidamide
+c1cc(ccc1/C=C/C(=O)c2c(cc(cc2O)O)O)O	X8W	(2e)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
+c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O	X8Y	(1s,2s,3r,4s,5s)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O	X8Z	l-captopril
+CCCCCCCCCCCCCCCCC(=O)O	X90	heptadecanoic acid
+C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@H](CCc3ccccc3)C(=O)O	X92	ramiprilat
+C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O	X93	trandolaprilat
+CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O	X94	perindoprilat
+c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)O	X95	(s)-1-n2-(1-carboxy-3-phenylpropyl)-l-lysyl-l-tryptophan
+c1cc(ccc1CN)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]	X96	2-{[4-(aminomethyl)benzyl]amino}-5-nitrobenzamide
+c1ccc(cc1)C2(C(=O)N(C(=O)N2)CCCC(=O)N3CCC[C@H]3C(=O)N4CCCC4)c5ccccc5	X97	3-{4-oxo-4-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione
+c1ccc(cc1)C2=Nc3ccccc3N(C2=O)CCC(=O)N4CCC[C@H]4C(=O)N5CCCC5	X98	1-{3-oxo-3-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1h)-one
+c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)N3CC(C[C@H]3C(=O)N4CCCC4)(F)F	X99	2-{3-[(2s)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2h)-dione
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C@@-](C[C@]2(c3ccccc3NC2=O)O)C(=O)O)[O-]	X9D	4-[(e)-({1-carboxy-2-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
+CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3cccc4c3cn[nH]4	X9F	n^4^-1h-indazol-4-yl-n^2^-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O	X9G	1-[(1-{2-[(3-chloro-1,2-dimethyl-1h-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])C(=O)O	X9I	4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid
+CC(C)(C)c1nc(on1)C(=O)NCc2ccc(cc2F)c3ccnc4c3[nH]c(n4)c5cnn(c5)C	X9J	3-tert-butyl-n-({2-fluoro-4-[2-(1-methyl-1h-pyrazol-4-yl)-1h-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3ccnc4c3[nH]c(n4)c5ccc(cc5)C(=O)N6CCOCC6	X9M	4-tert-butyl-n-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1h-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide
+Cc1c(cnn1C(C)C)c2[nH]c3c(ccnc3n2)c4ccc5c(c4)CCC[C@@H]5NC(=O)c6nc(no6)C(C)(C)C	X9P	3-tert-butyl-n-[(1s)-6-{2-[5-methyl-1-(propan-2-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
+C[C@@H](C1N=C(C(=O)N1CC(=O)O)Cc2ccccc2)N	X9Q	{(2s)-2-[(1s)-1-aminoethyl]-4-benzyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl}acetic acid
+Cc1c(cnn1C2CCOCC2)c3[nH]c4c(n3)c(ccn4)c5ccc6c(c5)CCC[C@H]6NC(=O)c7nc(no7)C(C)(C)C	X9S	3-tert-butyl-n-[(1r)-6-{2-[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]-3h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
+Cc1c(cn(n1)C2CCOCC2)c3[nH]c4c(ccnc4n3)c5ccc6c(c5)CCC[C@@H]6NC(=O)c7nc(no7)C(C)(C)C	X9V	3-tert-butyl-n-[(1s)-6-{2-[3-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
+C([C@H]([C@H]([C@H]([C@H](CO)O)O)O)O)O	X9X	d-allitol
+Cc1c(c(n(n1)C(C)C)C)c2[nH]c3c(n2)c(ccn3)c4ccc5c(c4)CCCC[C@H]5NC(=O)c6nc(no6)C(C)(C)C	X9Y	3-tert-butyl-n-[(5r)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1h-pyrazol-4-yl]-3h-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
+c1c(cc(c(c1F)F)F)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl	XA0	4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide
+[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(cc2)Cl)(C(=O)O)N)(O)(O)O	XA1	{(5r)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-)
+[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(c(c2)Cl)Cl)(C(=O)O)N)(O)(O)O	XA2	(r)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid
+Cc1cc2cc(n1)-c3cnn(c3OCCC[C@H](CN\4c5cc(ccc5N/C4=N\C2=O)CN6CCN(CC6)C)C)C	XA4	(20r)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15h,17h-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6h)-one
+c1cc(ccc1C[C@@H](C(=O)O)N)C(=O)N	XA6	(2s)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid
+CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC	XA7	tetrahexyl ammonnium
+C[C@H]([C@@H](c1nccs1)N)O	XAA	(1s,2s)-1-amino-1-(1,3-thiazol-2-yl)propan-2-ol
+CCCN1c2c([nH]c(n2)c3ccc(cc3)OCC(=O)NCCN)C(=O)N(C1=O)CCC	XAC	n-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1h-purin-8-yl)phenoxy]acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@@H]([C@H](O3)COP(=O)(O)O)O)N	XAD	9-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-9h-purin-6-amine
+c1c2c(cc3c1ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)ncnc2N	XAE	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3h-imidazo[4,5-g]quinazolin-8-amine
+Cc1cccc(n1)c2c(c[nH]n2)c3ccc(c(c3)c4ccc(cc4)S(=O)(=O)CCO)F	XAF	2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{h}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCN)O	XAG	n-{2-[(2-aminoethyl)sulfanyl]ethyl}-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)ONC(=O)[C@H](CCCCN)N)O)O)N	XAH	5'-o-{(r)-hydroxy[(l-lysylamino)oxy]phosphoryl}adenosine
+CCOC(=O)c1c(c(c[nH]1)Cc2ccc(c3c2ocn3)C(F)(F)F)C	XAJ	ethyl 3-methyl-4-{[4-(trifluoromethyl)-1,3-benzoxazol-7-yl]methyl}-1h-pyrrole-2-carboxylate
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](C=C3)COP(=O)(O)O)O)N	XAL	[(1s,4r,6r)-6-hydroxy-4-(adenin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+Cc1c(c(c([nH]1)C(=O)N[C@@H](C)[C@@]2(C[C@@H](O[C@@H]([C@H]2O)C)O[C@@H]3CCC(=C)[C@H]4[C@H]3C=C[C@@H]([C@@H]4C(=O)C5=C([C@@H](N(C5=O)[C@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)C)OC(=O)N)OC(=O)C)OC)C(C)C)O)C)O)Cl)Cl	XAM	(1r,4as,5s,6s,8ar)-5-{[(5s)-1-(3-o-acetyl-4-o-carbamoyl-6-deoxy-2-o-methyl-alpha-l-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1h-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-c-[(1s)-1-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-d-ribo-hexopyranoside
+c1[nH]c2c(n1)C(=O)NC(=O)N2	XAN	xanthine
+CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O	XAO	cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylamide
+C(CN)CON	XAP	3-aminooxy-1-aminopropane
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](C=C3)COP(=O)(O)O)O)N	XAR	[(1r,4s,6s)-4-(6-amino-9h-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@@]12O[C@@]1(C[C@H](CC2(C)C)O)C)/C)/C)/C=C/C=C(/C=C/[C@@]34O[C@@]3(C[C@H](CC4(C)C)O)C)\C	XAT	(3s,5r,6s,3's,5'r,6's)-5,6,5',6'-diepoxy-5,6,5',6'- tetrahydro-beta,beta-carotene-3,3'-diol
+c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F	XAV	2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-4-ol
+C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)(=S)(S2)O)OP(=O)(O)O	XAX	{[(5ar,8r,9ar)-2-amino-4-oxo-6,7-di(sulfanyl-kappas)-3,5,5a,8,9a,10-hexahydro-4h-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum
+Cc1ccc(cc1)C(=O)Nc2cccc(c2)C[C@@H](C#N)C(=O)Nc3ccccc3C(=O)O	XAY	2-{[(2s)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid
+Cc1cc(n2c(n1)cc(n2)N)C	XAZ	5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
+CN1c2c(nc([nH]2)SCCCNC(=S)NCCN3CCOCC3)C(=O)N(C1=O)C	XB1	n-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1h-purin-8-yl)sulfanyl]propyl}-n'-[2-(morpholin-4-yl)ethyl]thiourea
+COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F	XB7	1-[(4-fluorophenyl)methyl]-n-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1h-benzimidazol-2-amine
+c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)OCC4CC4	XBA	7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3h)-one
+C1C[C@H](CN=C1)N	XBB	(3s)-2,3,4,5-tetrahydropyridin-3-amine
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4CC(F)(F)F)C	XBD	2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)O	XBG	(2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylic-acid
+CC(C)([C@@H]1CNC[C@H]1Nc2c3cc(c(cc3nc(n2)c4cc(ccc4O)F)OC)OC)O	XBJ	4-fluoro-2-(4-{[(3s,4r)-4-(1-hydroxy-1-methylethyl)pyrrolidin-3-yl]amino}-6,7-dimethoxyquinazolin-2-yl)phenol
+C[C@@H]1C\C=C\C=C\C=C\C=C\[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C\C=C\C=C\C(=O)O1)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O	XBK	4,5-de-epoxypimaricin
+Cc1nnc2n1nc(c3c2cccc3)N4CCc5ccccc5C4	XBL	6-(3,4-dihydroisoquinolin-2(1h)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
+CC(C)[C@@H](C(=O)NO)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c2cc(cc(c2)Cl)Cl	XBM	n-[(3,5-dichlorophenyl)sulfonyl]-l-phenylalanyl-n-hydroxy-l-valinamide
+O=[Mo]123(=O)O[Mo]45(=O)(=O)[O+2]16[Mo]7(=O)(=O)(O2)O[Mo]89(=O)(=O)[O+]7[Mo]612(O3)[O+]4[Mo]3(=O)(=O)([O+2]81[Mo](=O)(=O)(O3)(O9)O2)O5	XBO	heptamolybdate
+C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O	XBP	xylulose-1,5-bisphosphate
+c1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)CCC(=O)O)c4ccc(cc4)Cl	XBR	3-(1-(4-chlorophenyl)-3,4-dihydro-1h-pyrido(3,4-b)indol-2(9h)-yl)propanoic acid
+B(c1ccc(cc1)/C=C/c2cccc(c2)C(=O)O)(O)O	XBS	3-[(e)-2-(4-boronophenyl)ethenyl]benzoic acid
+CC[C@@H](C)C1=NCCS1	XBT	2-[(1r)-1-methylpropyl]-4,5-dihydro-1,3-thiazole
+COC(=O)[C@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O	XBU	methyl (2~{r})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)[C@H]3C[N@](C[C@@H]3C(=O)Nc4ccc(cn4)Cl)CC(F)F	XBV	(3r,4r)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide]-4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+Cc1cc(no1)[C@@H](C)NC(=O)c2c(c(c[nH]2)Cc3ccc(cc3)C(F)(F)F)C	XBY	3-methyl-n-[(1r)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1h-pyrrole-2-carboxamide
+Cc1ccc(c(c1)C)C	XBZ	1,2,4-trimethylbenzene
+C1CN(C(=O)N=C1N)[C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O	XC	[(2~{r},3~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-4,5-dihydropyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CCC[C@@H](C(=O)NO)NC(=O)[C@H]([C@@H](C)CC)NS(=O)(=O)c1cc(cc(c1)Cl)Cl	XC1	n-[(3,5-dichlorophenyl)sulfonyl]-l-isoleucyl-n-hydroxy-l-norvalinamide
+c1ccc2c(c1)cccc2CC3=C(C(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O)CN6CCOCC6	XC2	(3r)-8-cyclopropyl-6-(morpholin-4-ylmethyl)-7-(1-naphthylmethyl)-5-oxo-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+[B+](/C=C/C[C@H]1CN(C[C@]1(C(=O)O)N)C(=O)[C@H](C)N)(O)(O)O	XC3	[(~{e})-3-[(3~{s},4~{r})-4-azanyl-1-[(2~{s})-2-azanylpropanoyl]-4-carboxy-pyrrolidin-3-yl]prop-1-enyl]-tris(oxidanyl)boranium
+c1ccc2c(c1)nnn2OC(=O)c3ccc4c(c3)cc[nH]4	XC4	1-[(1h-indole-5-carbonyl)oxy]-1h-benzotriazole
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O	XC5	2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine
+Cc1c(c[nH]c1C(=O)N[C@H](C)c2nc[nH]n2)C3(CC3)c4ccc(nc4)C(F)(F)F	XC7	3-methyl-n-[(1r)-1-(1h-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide
+C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)O)C)C	XCA	(8alpha,10alpha,25s)-3-hydroxycholesta-3,5-dien-26-oic acid
+S1[Fe]2[S@@]([Fe]3[S@@]2[Fe]1[S@]3[Ni])[Fe]	XCC	fe(4)-ni(1)-s(4) cluster
+Cc1cc(no1)[C@@H](C)NC(=O)c2c(c(c[nH]2)c3c[nH]c4c3ccc(c4)C(F)(F)F)C	XCD	3-methyl-n-[(1r)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1h-indol-3-yl]-1h-pyrrole-2-carboxamide
+COc1cc(c2c(c1OC)O[C@@H](C=C2)C3CC3)Cc4cnc(nc4N)N	XCF	5-[[(2r)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl]pyrimidine-2,4-diamine
+c1ccc2c(c1)cc(o2)c3[nH]ccn3	XCG	2-(2-benzofuranyl)-2-imidazoline
+Cc1cc(ccc1OCCCC(=O)NO)Cl	XCH	droxinostat
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C[Se]P(O)O)O	XCI	[(2~{s},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylselanylphosphonous acid
+CS(=O)(=O)c1ccc2c(c1)sc(n2)NC(=O)Cc3csc(n3)n4cccc4	XCJ	n-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1h-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide
+C1[C@H](C=C[C@H]([C@@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N	XCL	[(1s,4r,6r)-6-hydroxy-4-(cytosin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+Cc1cc(n[nH]1)[C@@H](C)NC(=O)c2c(c(c[nH]2)C3(CC3)c4ccc(nc4)C(F)(F)F)C	XCM	3-methyl-n-[(1r)-1-(5-methyl-1h-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide
+C([C@@H](C(=O)O)N)SC#N	XCN	s-cyano-l-cysteine
+O=[W]1234O[Co]567O18[Si@]91O%10%11[W]%12%13(=O)(O5)O[W]5%14(=O)(O6)O96[W]9%15(=O)(O5)O[W]%105(=O)(O%12)O[W]%11(=O)(O2)(O%13)O[W]2%10(=O)(O5)O11[W]5(=O)(O3)(O2)O[W]1(=O)(O9)(O%10)O[W]6(=O)(O%14)(O%15)O[W]8(O7)(O4)(O5)[O]	XCO	co-substituted beta-keggin
+C1C[C@@H]([C@H](C1)N)C(=O)O	XCP	(1s,2s)-2-aminocyclopentanecarboxylic acid
+C1[C@@H](C=C[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N	XCR	[(1r,4s,6s)-4-(4-amino-2-oxopyrimidin-1(2h)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate
+Cc1cc(c2c(c1)C(=NC(=O)N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	XCS	(1r)-1-(4-amino-6-methyl-2-oxo-1,2-dihydroquinazolin-8-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol
+C1C[C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N	XCT	4-amino-1-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)pyrimidin-2(1h)-one
+O=[W]1234O[Cu]56O[W]78(=O)(O1)O2[P@]91=O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O96[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O)(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O2)(O8)O7	XCU	cu-substituted alpha-keggin
+Cc1c(c[nH]c1C(=O)N[C@H](C)c2cc([nH]n2)C#N)C3(CC3)c4ccc(nc4)C(F)(F)F	XCV	n-[(1r)-1-(5-cyano-1h-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide
+CCCCCCCN(CCc1ccc(cc1)OC(C)(C)C(=O)O)c2nc3ccccc3o2	XCX	2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid
+c1cc(ccc1CN)CNC2=NC(=O)N(C=C2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	XCY	{5-[4-{[4-(aminomethyl)benzyl]amino}-2-oxopyrimidin-1(2h)- yl]-3-hydroxytetrahydrofuran-2-yl}methyl dihydrogen phosphate
+Cc1ccnc(n1)S(=O)(=O)N	XCZ	1.7.6 4-methylpyrimidine-2-sulfonamide
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)N)C(=O)O)C	XD1	(2r,4s)-2-[(1r)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+Cn1c(nnn1)SCC2=C(N[C@H](SC2)[C@@H](C=O)NC(=O)[C@@H](c3ccccc3)O)C(=O)O	XD2	(2r)-2-[(1r)-1-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1cc(ccc1N)C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)C	XD4	[(1r,2r,4r)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate
+c1cc(ccc1C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3)N	XD5	[(1r,2s,4s)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate
+c1c(c2c(c(c1O)Cl)CC(=O)CCCC/C(=C/CCOC2=O)/C=O)O	XD6	(5z)-13-chloro-14,16-dihydroxy-1,11-dioxo-3,4,7,8,9,10,11,12-octahydro-1h-2-benzoxacyclotetradecine-6-carbaldehyde
+C\C=C\c1cc2c(s1)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O	XD9	(4r,6r,7s)-4,6,7-trihydroxy-2-[(1e)-prop-1-en-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
+CN(C)C(=O)[C@H]1CCC=C[C@H]1NC(=O)OCc2ccc(cc2)C(=O)NCCOP(=O)(O)O	XDA	4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1r,6s)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate
+c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N	XDD	n-[(1s,2s)-2-aminocyclopentyl]-n-[(6-amino-9h-purin-9-yl)acetyl]glycine
+CNC[C@H](c1ccc(c(c1)O)O)O	XDE	4-[(1s)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
+CC(C)(c1cc(c(c(c1)Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl	XDH	4,4'-propane-2,2-diylbis(2,6-dichlorophenol)
+CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br	XDI	4,4'-propane-2,2-diylbis(2,6-dibromophenol)
+c1nc2c(n1CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N=C(NC2=O)N	XDJ	n-[(1s,2s)-2-aminocyclopentyl]-n-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)acetyl]glycine
+c1cc(cnc1)c2ccnc(n2)N	XDK	2-amino-4-pyridyl-pyrimidine
+C1C[C@@H](C(=O)NC1)O	XDL	xylose-derived isofagomine lactam
+CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C	XDM	~{n}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide
+C1[C@H](C([C@H](CN1)O)O)O	XDN	piperidine-3,4,5-triol
+C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O	XDP	d-xylulose-2,2-diol-1,5-bisphosphate
+CCCCCCOC(=O)[C@]1(C[C@@H]2n3c4ccccc4c5c3c6c(c7ccccc7n6[C@]1(O2)C)c8c5C(=O)N=C8)O	XDR	hexyl (5s,6r,8r)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13h-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate
+CN1C2=NC(=O)NC(=O)[C@@]2(NC1=O)OO	XDS	(5s)-5-(dioxidanyl)-9-methyl-7h-purine-2,6,8-trione
+CC([C@H](C(=O)O)N)OC	XDT	o-methyl-d-allothreonine
+C(COCCOCC(=O)N)N	XDV	2-[2-(2-aminoethoxy)ethoxy]acetamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](COP(=O)(O)O)C(=O)O)O)O)O)O	XDX	(2r)-2-(alpha-d-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid
+CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)[C@H]2CCC[C@@H]2N	XDY	n-[(1s,2s)-2-aminocyclopentyl]-n-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]glycine
+[Xe]	XE	xenon
+N(P(NP(=O)(O)O)(O)O)P(=O)(O)O	XE1	n,n'-(dihydroxy-lambda~5~-phosphanediyl)bis(phosphoramidic acid)
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2C#CC#CC(C)(C)O	XE4	1,3-cyclohexanediol, 4-methylene-5-[(2e)-[(1s,3as,7as)-octahydro-1-(5-hydroxy-5-methyl-1,3-hexadiynyl)-7a-methyl-4h-inden-4-ylidene]ethylidene]-, (1r,3s,5z)
+Cc1c(c[nH]c1C(=O)N[C@H](C)c2cc([nH]n2)C(=O)N)Cc3ccc(nc3)C(F)(F)F	XE7	3-{(1r)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1h-pyrrole-2-carbonyl)amino]ethyl}-1h-pyrazole-5-carboxamide
+C1CON[C@@H]1C#N	XEA	(3r)-1,2-oxazolidine-3-carbonitrile
+CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N	XEB	7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
+CC1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O	XED	dextrofloxacine
+c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O	XEG	(2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate
+C[C@H](CC(=O)N)N	XEJ	(3r)-3-aminobutanamide
+CCCCN1CCCC(=C1)C(=O)N	XEN	1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide
+c1cc(ccc1c2[nH]nnn2)C(=O)[C@@H]3CCC[C@H]3C(C(=O)O)C(=O)O	XES	{(1r,2r)-2-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}propanedioic acid
+COc1cccc(c1)c2cccc(c2)C(=O)O	XEV	3-(3-methoxyphenyl)benzoic acid
+c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)Cl)c4cccnc4	XEY	2-[3-(3,5-dichlorophenyl)-2-oxo[2h-[1,3'-bipyridine]]-5-yl]benzonitrile
+c1c[nH]nc1c2cnc3n2cc(nc3)c4c[nH]nc4	XEZ	6-(1h-pyrazol-3-yl)-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine
+CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N	XF1	2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2h-[1,3'-bipyridine]]-5-yl]benzonitrile
+c1ccc(cc1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	XF4	(5s)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2h-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3h,5h)-dione
+c1cc2c(cc[nH]2)c(c1)N3CCNCC3	XF5	4-(piperazin-1-yl)-1h-indole
+c1ccc(c(c1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)Cl	XF7	(5s)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2h-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3h,5h)-dione
+CNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c3cc(ccc3Oc4ccc(cc4)Cl)Cl	XFA	2-{[5-chloro-2-(4-chlorophenoxy)phenyl](2-{[2-(methylamino)ethyl]amino}-2-oxoethyl)amino}-n-(1,3-dihydro-2h-isoindol-2-yl)-n-methylacetamide
+C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C=O	XFC	4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde
+c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)OCC4CC4)c5cccnc5	XFD	2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2h-[1,3'-bipyridine]]-5-yl}benzonitrile
+Cc1c[nH]c2c1c(ncn2)[N@]3CC[C@H](C3)N	XFE	(3r)-1-(5-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
+[B-](CCC[C@@H]1[C@H](CN[C@@H]1C(=O)O)N)(O)(O)O	XFG	3-[(2~{s},3~{r},4~{r})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
+Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C	XFH	6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine
+C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)N(c4ccccc4)S(=O)(=O)C)O	XFI	n-((1s,2r)-3-(((1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-( phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino) benzamide
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C	XFJ	6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C	XFK	6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(cc(n3)N)C	XFL	6,6'-(pyridine-2,6-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C	XFM	6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C	XFN	6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine)
+[B-](CCC[C@@H]1CCCN[C@@H]1C(=O)O)(O)(O)O	XFP	3-[(2~{s},3~{r})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)O)CC(=O)O	XFS	3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid
+C1CS(=O)(=O)C1	XFV	1lambda~6~-thietane-1,1-dione
+C(CC(N)N)[C@@H](C(=O)O)N	XFW	(2s)-2,5,5-tris(azanyl)pentanoic acid
+CCCCn1cc2c3ccccc3nc(c2n1)N	XG1	2-butyl-2h-pyrazolo[3,4-c]quinolin-4-amine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N	XG4	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine
+c1c2c(cc3c1ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)N=C(NC2=O)N	XGA	6-amino-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CN(C)C(=O)c1cccc(c1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3)CCNC(=O)c4ccccc4n5nccn5)OC	XGD	4'-methoxy-n,n-dimethyl-3'-{[3-(2-{[2-(2h-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide
+CC(C)(CNC(=O)C[C@H]1CN(c2ccc(cc2S1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(cc3)F)O	XGH	2-[(2s)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2h-1,4-benzothiazin-2-yl]-n-(2-hydroxy-2-methylpropyl)acetamide
+C1N[C@H](NN1)N	XGJ	(3s)-1,2,4-triazolidin-3-amine
+c1nc2c(n1[C@@H]3C[C@H]([C@@H](C=C3)COP(=O)(O)O)O)N=C(NC2=O)N	XGL	[(1s,4r,6r)-6-hydroxy-4-(guanin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+CCC(=O)NO	XGM	n-hydroxypropanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O	XGP	1-o-phosphono-beta-d-glucopyranose
+c1nc2c(n1[C@H]3C[C@@H]([C@H](C=C3)COP(=O)(O)O)O)N=C(NC2=O)N	XGR	[(1r,4s,6s)-4-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate
+C1CS(=O)(=O)N1	XGS	1lambda~6~,2-thiazetidine-1,1-dione
+c1nc2c(n1[C@H]3CC[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	XGU	2-amino-9-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-1,9-dihydro-6h-purin-6-one
+c1cc(nnc1)N	XGV	pyridazin-3-amine
+CN1C[C@H](NC1)N	XGY	(4s)-1-methylimidazolidin-4-amine
+CC(C)NC(=O)N	XH1	n-propan-2-ylurea
+C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)CCO)O)O	XH2	(1r,4r,5r)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid
+C1CNN[C@@H]1CO	XH4	[(3r)-pyrazolidin-3-yl]methanol
+C1CSC[C@H]1C(=O)O	XH7	(3r)-thiolane-3-carboxylic acid
+c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N	XH8	7-(((3-(pyridin-3-yl)propyl)amino)methyl)quinolin-2-
+CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2cccc(c2)C(F)(F)F)CO)O)O	XHA	2-[(2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{n}-methyl-ethanamide
+C(C#N)C(=O)N	XHD	2-cyanoacetamide
+C1C[C@@H](OC1)CN	XHG	1-[(2r)-oxolan-2-yl]methanamine
+C1CNN[C@@H]1N	XHJ	(3s)-pyrazolidin-3-amine
+Cc1cccc(c1c2cc3c(cc2C#N)cnn3c4ccc(cc4)N5CCN(CC5)C)F	XHM	6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-5-carbonitrile
+C=C1CN=C2C(=N1)C(=O)NC(=N2)N	XHP	2-amino-6-methylidene-6,7-dihydropteridin-4(3h)-one
+CN1CCN(CC1)c2cccc(n2)n3c4cc(ncc4cn3)c5c(cccc5F)OC	XHS	6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1h-pyrazolo[4,3-c]pyridine
+CN1CCN(CC1)c2ccc(cc2)n3c4cc(ncc4cn3)c5c(cccc5F)OC	XHV	6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrazolo[4,3-c]pyridine
+Cc1ccc2c(c1)c(c(o2)C#Cc3ccc(cc3)C(=O)O)CC(=O)O	XHY	4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid
+c1cc(c(cc1OC2CCC(CC2)NS(=O)(=O)C(F)(F)F)Cl)C#N	XI1	n-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide
+C[C@H](CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F	XI2	6-(2,4-difluorophenoxy)-n-[(1r)-1-methyl-2-(methylsulfonyl)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-3-amine
+c1ccc(cc1)C(=O)CC(=O)C(=O)O	XI7	2-4-dioxo-4-phenylbutanoic acid
+CC(=CCC[C@@]1([C@H](Cc2cc(ccc2O1)C(=O)O)O)C)C	XIA	(2r,3s)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid
+C1CNC[C@H]([C@@H]1O)O	XIF	piperidine-3,4-diol
+COc1ccc(cc1)c2ccc(cc2)CN([C@H]3CCCc4c3cccc4)C(=O)c5cc(c(cc5C(=O)O)C(=O)O)C(=O)O	XIG	5-{[(4'-methoxybiphenyl-4-yl)methyl][(1s)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
+CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C	XIH	2-({8-[(3r)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl}methyl)benzonitrile
+C1CNC(=O)[C@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O	XIL	(3s,4r)-3-hydroxy-2-oxopiperidin-4-yl beta-d-xylopyranoside
+c1cn2c(n1)[C@@H]([C@H]([C@@H](C2)O)O)O	XIM	5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine-6,7,8-triol
+CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5	XIN	methyl (3z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1h-indole-6-carboxylate
+c1ccc(cc1)P(c2ccccc2)c3ccc(cc3)C(=O)O	XIS	4-diphenylphosphanylbenzoic acid
+c1([nH]nc(n1)N)N	XIX	3,5-diamino-1h-[1,2,4]triazole
+c1ccc2c(c1)[nH]c(n2)CO	XIY	2-hydroxymethyl-benzoimidazole
+c1cnccc1\C=C\C(=O)O	XIZ	(e)-pyridin-4-yl-acrylic acid
+c1c(cnc(n1)N)\C=C\C(=O)O	XJ0	(e)-3-(2-amino-pyridine-5yl)-acrylic acid
+c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)\C=C\C(=O)O	XJ1	(2e)-3-(3-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}phenyl)prop-2-enoic acid
+CNC[C@H](CN1CCCc2ccccc2C1)O	XJ2	(2r)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol
+Cc1c(nc(nc1NC2CCOCC2)c3cccc(c3)CNCCNC)c4c(noc4C)C	XJ3	n'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-n-methyl-ethane-1,2-diamine
+Cc1c(nc(nc1Nc2ccccc2)c3cccc(c3)CNCCNC)c4c(noc4C)C	XJ4	n'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-n-methyl-ethane-1,2-diamine
+CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O	XJ7	(2s)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1r,2r,3s,4s,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate
+c1ccc(cc1)C[C@@H](C(=O)NCc2cccc3c2ccc(n3)N)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O	XJ8	n-[(1s)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide
+CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC)COP(=O)(O)OC1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O	XJA	(2s)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1s,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate
+CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)OCCN	XJD	(10r,13s)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl tridecanoate
+Cc1cc2c(c(c1)OC)C(=CC(=O)O2)CP(=O)(O)O	XJE	[(5-methoxy-7-methyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+CC(C)c1cc(c(cc1OC)O)C(=O)N2Cc3ccccc3C2	XJG	1,3-dihydroisoindol-2-yl-(2-hydroxy-4-methoxy-5-propan-2-yl-phenyl)methanone
+c1ccc(cc1)Oc2cccc(c2)O[C@H]3CNC[C@H]3Cc4cccc(n4)N	XJH	6-{[(3r,4r)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
+C1CNC(=O)CN1	XJJ	piperazin-2-one
+Cc1[nH]nnn1	XJM	5-methyl-1h-tetrazole
+CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)c2ccccc2CN(C)C)C)C)C	XJO	(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate
+C1[C@@H](N[C@@H](S1)N)N	XJP	(2s,4r)-1,3-thiazolidine-2,4-diamine
+CCN(CC)C(=O)CCC(=O)NCCCN(CCCNC(=O)CCC(=O)N(CC)CC)C(=O)CCC(=O)NCC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	XJS	2'-deoxy-5-[9-(3-{[4-(diethylamino)-4-oxobutanoyl]amino}propyl)-18-ethyl-5,8,14,17-tetraoxo-4,9,13,18-tetraazaicos-1-yn-1-yl]uridine 5'-(tetrahydrogen triphosphate)
+C1CNC(=O)N1	XJV	imidazolidin-2-one
+CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(CC4)C	XJX	onalespib
+B(C1CCC1)(O)O	XJY	cyclobutylboronic acid
+C[C@]1(CCSC(=N1)N)c2ccc(cc2)OC	XK0	(4s)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
+C1[C@H](NCO1)CN	XK1	1-[(4r)-1,3-oxazolidin-4-yl]methanamine
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc4ccccc4c3)Cc5ccc6ccccc6c5)Cc7ccccc7)O)O	XK2	[4r-(4alpha,5alpha,6beta,7beta)]-hexahydro-5,6-dihydroxy-1,3-bis[2-naphthyl-methyl]-4,7-bis(phenylmethyl)-2h-1,3-diazepin-2-one
+CCc1ccsc1c2cnc(c(n2)C3CCC(CC3)C(=O)O)N	XK3	4-[3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl]cyclohexane-1-carboxylic acid
+C1CON[C@H]1N	XK4	(3r)-1,2-oxazolidin-3-amine
+C1CC1(C(=O)N)N	XK7	1-aminocyclopropane-1-carboxamide
+C/C(=N\NC(=N)NO)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-]	XK9	n-{4-[(1e)-n-(n-hydroxycarbamimidoyl)ethanehydrazonoyl]phenyl}-7-nitro-1h-indole-2-carboxamide
+Cc1c(sc(n1)c2cnccn2)C(=O)c3cnc(s3)N[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	XKA	[2-[[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone
+C[C@H](C(=O)NC)N	XKD	n-methyl-d-alaninamide
+Cc1cc(c(c(c1)C)/N=C/2\C=C3c4cc(c(cc4CCN3C(=O)N2C)OC)OC)C	XKG	(2e)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4h-pyrimido[6,1-a]isoquinolin-4-one
+CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	XKJ	dodecyl beta-d-glucopyranoside
+CCNC(=O)c1cc(on1)c2c(cc(cc2Oc3ccc(cc3)[N+](=O)[O-])O)O	XKL	5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-n-ethyl-1,2-oxazole-3-carboxamide
+CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN	XKP	(11r,14s)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate
+C1C(CN1)O	XKS	azetidin-3-ol
+CC[C@@H](C(=O)N)N	XKV	(2r)-2-aminobutanamide
+C1[C@H](NCN1)C#N	XKY	(4s)-imidazolidine-4-carbonitrile
+CCS	XL1	ethanethiol
+C[C@H](c1ccc(cc1)Nc2nc3c(cc(cc3s2)F)C(=O)N)N(C)C	XL2	2-({4-[(1r)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide
+CCCS	XL3	propane-1-thiol
+CCC(=O)Nc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)F	XL5	n-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide
+CCC(=O)Nc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)C	XL6	n-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide
+CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)F	XL7	n-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide
+CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)Cl	XL8	n-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide
+CCC(=O)N[C@H]1CCOC[C@H]1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl	XL9	n-[(3s,4s)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide
+B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)C(=O)O)(O)O	XLB	3-[(e)-2-(4-borono-2-chlorophenyl)ethenyl]benzoic acid
+CN1CCN(CC1)Cc2csc(c2Cl)C(=O)Nc3ccc(cc3C(=O)Nc4ccc(cc4)Cl)Cl	XLC	3-chloro-n-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide
+CN(Cc1csc(c1Cl)C(=O)Nc2c(cc(cc2OC)Cl)C(=O)Nc3ccc(cn3)Cl)C4=NCCO4	XLD	3-chloro-n-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide
+C1[C@H]([C@@H]([C@](O1)(CO)O)O)O	XLF	beta-d-xylulofuranose
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)C)O	XLI	n-acetyl-l-leucyl-n-[(4s,5s,7r)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-l-methioninamide
+CCC/C=C\S(=O)(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)O)O	XLN	n~3~-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-(3-{[(1z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide
+c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2Cl)O	XLO	3-[(e)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoic acid
+c1cc2c(cc1C(=O)O)scn2	XLP	1,3-benzothiazole-6-carboxylic acid
+C([C@H]([C@@H]([C@H](C=O)O)O)O)O	XLS	d-xylose
+Cc1c(noc1N)C	XLV	3,4-dimethyl-1,2-oxazol-5-amine
+C(CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O	XLX	4,4'-(ethylenediimino)bis[4-oxobutyrate]
+C[C@H]1CNc2ccccc2C(=O)N1	XLY	(3r)-3-methyl-1,2,3,4-tetrahydro-5h-1,4-benzodiazepin-5-one
+c1ccc2c(c1)CC(C2)N	XM0	indan-2-amine
+c1cc(ccc1C[C@@H](CN)C(=O)N2CCN(CC2)c3c4cc[nH]c4ncn3)Cl	XM1	(2s)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine
+C[C@H]([C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C	XM2	n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-phenylalaninamide
+Cc1cc(ccc1NC(=O)C)Cl	XM4	n-(4-chloro-2-methylphenyl)acetamide
+CN1c2c(ccc3c2OCO3)C(=CC1=O)OC	XM5	6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one
+COP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	XM7	5'-o-[(r)-hydroxy(methoxy)phosphoryl]adenosine
+COC[C@@]12C[N@@](CC(=O)N1CC3(O2)CCN(CC3)c4ccncc4)S(=O)(=O)c5ccc6cc(ccc6c5)Cl	XMA	(-)-7-[(6-chloro-2-naphthalenyl)sulfonyl]tetrahydro-8a-(methoxymethyl)-1'-(4-pyridinyl)-spiro[5h-oxazolo[3,2-a]pyrazine-2(3h),4'-piperidin]-5-one
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC[C@@H](C(=O)N3CCS(=O)(=O)CC3)NCC4CCN(CC4)c5ccncc5	XMB	4-[(2r)-3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-1-oxo-2-[[[1-(4-pyridinyl)-4-piperidinyl]methyl]amino]propyl]-thiomorpholine-1,1-dioxide
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3C[C@@H](N(C(=O)C3)CC4CCN(CC4)c5ccncc5)C(=O)N6CCOCC6	XMC	4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinyl]carbonyl]morpholine
+CCOC(=O)[C@H]1C[N@](CC(=O)N1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl	XMD	(2r)-4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)C=NO	XME	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-hydroxyiminomethyl-1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@@]3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)CO	XMF	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-hydroxymethyl-1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@@]3CC[N@]([C@@H](C3)C(=O)O)CC4CCN(CC4)c5ccncc5	XMG	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl] methyl]-2-piperazinecarboxylic acid
+CCOC(=O)[C@H]1C[N@](CC[N@@]1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl	XMH	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3CCN(C(=O)C3)CC4CCN(CC4)c5ccncc5	XMI	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
+c1cc(ccc1\C=C\S(=O)(=O)[N@]2CCN(C(=O)C2)CC3CCN(CC3)c4ccncc4)Cl	XMJ	4-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
+c1cc(ccc1\C=C\S(=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4)Cl	XMK	1-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-4-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazine
+c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br	XMM	5-bromo-4-chloro-1h-indol-3-yl alpha-d-mannopyranoside
+c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O	XMP	xanthosine-5'-monophosphate
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN(CC3)C)Cl	XMQ	2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(cc3)Cl	XMS	(3s)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid
+C[C@H](c1ccccc1)[C@H](C[C@@H](C[N@@]2CC[N@](C[C@H]2C(=O)NC(C)(C)C)Cc3cccnc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O	XN1	n-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4-hydroxy-2-(1-phenylethyl)-pen tanamide
+C[C@H](c1ccccc1)[C@H](C[C@@H](C[N@@]2CC[N@](C[C@H]2C(=O)NC(C)(C)C)Cc3ccc4c(c3)OCO4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	XN2	n-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4-hydroxy-2-(1-phe nylethyl)-pentanamide
+CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5ccc6c(c5)OCO6	XN3	n-[2(r)-hydroxy-1(s)-indanyl]-5-[(2(s)-tertiary butylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethylpentanamide
+C(CO)NCC(=O)NCCO	XN7	n,n~2~-bis(2-hydroxyethyl)glycinamide
+Cc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5	XNA	n~8~-(cyclopropylmethyl)-n~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine
+CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5	XNB	n~8~-(cyclopropylmethyl)-n~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine
+Cc1cccc(n1)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCc6ccccc6)S(=O)(=O)CC(C4)(C)C)O	XNC	(11s)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide
+CC(=O)N1c2cccc(c2NC3=C([C@@H]1c4ccc(cc4Cl)Cl)C(=O)CC(C3)(C)C)O	XND	(11r)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
+CCCCCCCCCC(=O)NCCCC(=O)O	XNG	4-(decanoylamino)butanoic acid
+C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)OC)C	XNH	(3~{r})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one
+CC(=O)N1c2ccccc2NC3=C([C@@H]1c4ccc(c(c4)Cl)OCc5ccccc5)C(=O)CC(C3)(C)C	XNI	(11s)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
+Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCNCC5	XNJ	n-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide
+c1ccc2c(c1)c3ccncc3n2C[C@@H](C4CCCCC4)O	XNL	(1~{r})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol
+c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)C(=O)N4CCN(CC4)CCO)Cl	XNM	(4-{[4-(4-chlorophenyl)pyrimidin-2-yl]amino}phenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone
+CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CC6(C5)CNC6	XNN	n~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-n~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@@H](O4)N6C=C(CC[C@H]6O5)C(=O)N)O)O)OP(=O)(O)O)N	XNP	tricyclic nadph
+COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	XNS	methyl ester octyl alpha-1o-d-mannopyrannoside
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC#C)N2C=CC=C(C2=O)NC(=O)c3cc(on3)C	XNV	ethyl (4r)-4-({(2s)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2h)-yl]pent-4-ynoyl}amino)-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+COc1ccc(cc1)C[C@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O	XNW	(1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid
+c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	XNY	[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-3~{h}-imidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC(=O)N1c2cccc(c2NC3=C([C@@H]1c4ccc(cc4Cl)OCc5ccccc5)C(=O)CC(C3)(C)C)O	XNZ	(11r)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
+c1ccc(cc1)C[C@H]2C[C@H](CCN2)C3=CC(=O)NO3	XO3	5-[(2r,4s)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one
+c1ccc2c(c1)N(c3ccccc3S2)NC(=O)CN4CCCCC4	XOC	n-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide
+c1cnc(nc1)c2ccc(c(c2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O	XOD	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol
+C/C(=C\C=O)/CC/C=C(\C)/C=O	XOG	(2e,6e)-2,6-dimethylocta-2,6-dienedial
+CCN(CC)CCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC	XOJ	1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea
+CC[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N)S	XOK	(2~{s})-2-azanyl-6-[[(6~{s})-6-sulfanyloctanoyl]amino]hexanoic acid
+Cc1ccc(cc1Cl)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4	XOM	(2s,4r)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one
+CN1[C@@H]2CC[C@H]1CC(C2)O[P@@](=O)(c3ccccc3)O	XOP	8-methyl-8-azabicyclo[3.2.1]octan-3-yl phenylphosphonate
+c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2)O	XOS	3-[(e)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CSCc4ccccc4)C(=O)O	XOU	(2r)-3-(benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid 
+c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)C3CC4(C3)COC(=O)N4	XOV	(2s,4r)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one
+Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	XOY	(r)-3-(benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
+c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4	XP0	5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+CN(C)c1ccc(cc1)C(=O)O	XP1	4-(dimethylamino)benzoic acid
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCC	XP4	1,2-dimyristoyl-sn-glycero-3-phosphate
+CCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC	XP5	(4s,7r)-7-(heptanoyloxy)-4-hydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide
+c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)CC[C@@H]3CCC(=O)N3	XP7	(5s)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCS)OP(=O)(O)O	XP8	o-phosphono-n-(8-sulfanyloctanoyl)-l-threonine
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCCS)OP(=O)(O)O	XP9	o-phosphono-n-(9-sulfanylnonanoyl)-l-threonine
+CCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCC	XPA	1,2-didecanoyl-sn-glycero-3-phosphate
+c1cc(cnc1)C(=O)CCCOc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	XPB	o6-[4-oxo-4-(3-pyridyl)butyl]-2'-deoxyguanosine-5'-monophosphate
+C1[C@@H]([C@H](CN1)N)C(=O)O	XPC	(3s,4r)-4-aminopyrrolidine-3-carboxylic acid
+c1cc2c(cc1C(=O)N3CCC(CC3)COc4ccc(cc4Cl)F)NC(=O)CO2	XPD	6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2h-1,4-benzoxazin-3(4h)-one
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	XPE	3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol
+CC(C)S(=O)(=O)N[C@H]1COC[C@H]1Oc2ccc(cc2)c3ccc(s3)C#N	XPF	n-{(3s,4s)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide
+CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O	XPG	7-[(1r,3r)-3-hydroxy-2-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid
+c1ccc(cc1)C[C@@H](N)P(=O)(O)O	XPH	[(1s)-1-amino-2-phenylethyl]phosphonic acid
+CNC[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O	XPJ	1-deoxy-1-(methylamino)-d-allitol
+C[C@@H]1C[C@@H](N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N)N	XPL	n~6~-[(3r,5r)-5-amino-3-methyl-d-prolyl]-l-lysine
+CCCCCCCCCCCCCCC(C(=O)O)C(=O)O	XPM	tetradecylpropanedioic acid
+C(=O)OP(=O)(O)O	XPO	formyl phosphate
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C	XPP	hydroxypyrrole-imidazole-pyrrole polyamide
+C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)OS(=O)(=O)O	XPR	(2s,3as,6r,7as)-6-(sulfooxy)octahydro-1h-indole-2-carboxylic acid
+CNC[C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O	XPS	6-deoxy-6-(methylamino)-d-galactitol
+CCCS(CCC)(CCC)Cl	XPT	1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane
+c1ccc(cc1)c2ccc3c(c2)occ3CC(=O)O	XPV	(6-phenyl-1-benzofuran-3-yl)acetic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC	XPX	(2r)-3-[(hydroxy{[(2r,3r,5s,6r)-3,4,5-trihydroxy-2,6-bis(alpha-d-mannopyranosyloxy)cyclohexyl]oxy}phosphoryl)oxy]propan e-1,2-diyl dihexadecanoate
+Cn1cc(c(n1)C(F)(F)F)NC(=O)c2cnn3c2nc(cc3)N[C@@H]4CCCC[C@@H]4N	XPY	5-{[(1r,2s)-2-aminocyclohexyl]amino}-n-[1-methyl-3-(trifluoromethyl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c2ccc(cc2[nH]n1)O	XQ0	3-methyl-1h-indazol-6-ol
+COc1cccc(c1)c2ccc3c(c2)occ3CC(=O)O	XQ1	[6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCNC)C)\C)OC)(NC(=O)O2)O	XQ4	(1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name)
+c1cc(cc(c1)OCC2CCC(CC2)(F)F)[C@@H](CCN)O	XQ7	(1r)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol
+CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3	XQ9	1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC(=O)C	XQA	udp-di-n-acetyl-alpha-bacillosamine
+[H]/N=C(/[C@H](C[C@@H](C=O)O)C(=O)O)\C(=O)O	XQB	2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid
+CC(C)(Cc1ccc(cc1)O)NC[C@@H](c2ccc(c(c2)O)O)O	XQC	4-[(1r)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N[C@@](C)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O	XQD	[(2~{r},3~{r},4~{s},5~{s},6~{r})-3-acetamido-5-[[(1~{s})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanyl-ethyl]amino]-6-methyl-4-oxidanyl-oxan-2-yl] [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CSc1c2c([nH]cn2)ncn1	XQG	6-methylsulfanyl-9h-purine
+COC(=O)Cc1cc(cc(c1)O)O	XQI	methyl 2-(3,5-dihydroxyphenyl)ethanoate
+Cc1cccc(c1)I	XQJ	1-iodo-3-methylbenzene
+Cc1c(c([nH]n1)c2ccno2)C(=O)OC	XQK	methyl 5-isoxazol-5-yl-3-methyl-1h-pyrazole-4-carboxylate
+Cc1ccc(cc1)I	XQM	1-iodo-4-methylbenzene
+CCCCCN1[C@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC	XQO	2-[(2s,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide
+Cn1c(nnn1)SCC2=C(N[C@H](OC2)[C@@](C(=O)O)(NC(=O)[C@@H](c3ccc(cc3)O)C(=O)O)OC)C(=O)O	XQP	(2r)-2-[(r)-carboxy{[(2r)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2h-1,3-oxazine-4-carboxylic acid
+CCC(=O)Nc1cccc(c1)Nc2nc3c(cccn3n2)c4ccccc4	XQV	n-{3-[(8-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl}propanamide
+CCN1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C=C(C1=O)c5ccc(cc5Cl)c6cncs6	XR1	6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1cccc2c1[nH+]c3c(cccc3n2)C(=O)NCC[NH2+]CC[NH2+]CCNC(=O)c4cccc5c4[nH+]c6c(cccc6n5)C	XR2	1-methyl-9-[12-(9-methylphenazin-10-ium-1-yl)-12-oxo-2,11-diaza-5,8-diazoniadodec-1-anoyl]phenazin-10-ium
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)CCOCCOCCOCCOCCOCCC(=O)N5CCC(CC5)NC(=O)c6ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(=O)C(C)(C)C)Cl)C	XR4	n,n'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide)
+CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cccc3)C)OCCOCCOCCOCCOc4ccc(cc4C5=CN(C(=O)c6c5cccc6)C)NS(=O)(=O)CC	XR7	n,n'-(oxybis{(ethane-2,1-diyl)oxyethane-2,1-diyloxy[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4,1-phenylene]})di(ethane-1-sulfonamide)
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN4CCCC4)NC5CNC5	XR8	5-[(azetidin-3-yl)amino]-2-methyl-n-[(1r)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide
+COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4	XRA	2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
+CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl	XRD	clobetasol propionate
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	XRF	1-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-l-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+[H]/N=C(\NC)/NC(=O)NC	XRG	1-methyl-3-(n-methylcarbamimidoyl)urea
+CCCCCN1[C@H]([C@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC	XRJ	2-[(2s,3r,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide
+c1c(cc(c2c1N=C(NC2=O)CSC3CCNCC3)F)NC4CCCC4	XRM	7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl)sulfanyl]methyl}quinazolin-4(3h)-one
+c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)CC#N	XRO	5-{2-[4-(cyanomethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1ccc(cc1)CSc2ncn(n2)c3ccccc3	XRP	3-{[(4-methylphenyl)methyl]sulfanyl}-1-phenyl-1h-1,2,4-triazole
+C[C@H](CCOc1nccn1C)N(C)C	XRS	(2r)-n,n-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine
+c1cc(ccc1n2cc(cn2)Cc3cc(nc4c3[nH]nn4)N)F	XRV	7-{[1-(4-fluorophenyl)-1h-pyrazol-4-yl]methyl}-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+C[C@H](CCOC(=O)N(C)C)N(C)C	XRX	3-(dimethylamino)butyl dimethylcarbamate
+c1ccc(cc1)C[C@H]2C[C@H]3C[C@H]2Oc4cccc(c4)Cn5cc(cn5)[C@H](CCN3)c6cc(nc7c6nn[nH]7)N	XS1	7-[(3r,4s,6s,10r)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)S[C@H]2[C@@H]([C@H]([C@@H](CO2)S[C@H]3[C@@H]([C@H]([C@@H](CO3)S[C@@H]4[C@H]([C@H]([C@H](CO4)S[C@H]5[C@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)O)O)O)O)O	XS2	methyl4,4ii,4iii,4iv-tetrathio-beta-d-xylopentoside
+CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)NCc3cn(nn3)C4CCN(CC4)Cc5ccccc5)c6cc(cc(c6)OC)OC	XS4	1-~{tert}-butyl-3-[6-(3,5-dimethoxyphenyl)-2-[[1-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]urea
+C(CCC(=O)NO)CCNCCCN	XS6	6-[(3-aminopropyl)amino]-n-hydroxyhexanamide
+B(CC[C@H](C(=O)O)NCCN)(O)O	XSA	(2r)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid
+c1ccc(cc1)Oc2cccc(c2)Cn3cc(cn3)Cc4cc(nc5c4nn[nH]5)N	XSD	7-({1-[(3-phenoxyphenyl)methyl]-1h-pyrazol-4-yl}methyl)-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+c1ccc(cc1)[C@@H](CCN[C@@H]2CCc3c2cccc3)c4cc(nc5c4nn[nH]5)N	XSG	7-[(1r)-3-{[(1r)-2,3-dihydro-1h-inden-1-yl]amino}-1-phenylpropyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+B(CC[C@H](C(=O)O)NCc1c[nH]cn1)(O)O	XSM	(2r)-4-borono-2-{[(1h-imidazol-4-yl)methyl]amino}butanoic acid
+C([C@@H](C(=O)N)N)C(=O)O	XSN	l-alpha-asparagine
+C(=O)[C@H](C(=O)O)OP(=O)(O)O	XSP	(2r)-3-oxo-2-(phosphonooxy)propanoic acid
+CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C(F)(F)F	XSS	1,1,1-trifluoro-2-methylpropan-2-yl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC7(CCC7)C(F)(F)F	XSV	1-(trifluoromethyl)cyclobutyl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC7C[C@H]8C[C@H]8C7	XSY	(1r,3r,5s)-bicyclo[3.1.0]hexan-3-yl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4	XT0	2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
+C[C@@H]1CC[C@]2([C@@H](CCCO2)C)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O	XT1	(2r)-3-[(2s,5r,6r,8s)-8-{(1r,2e)-3-[(2r,4a'r,5r,6's,8'r,8a's)-6'-{(1s,3s)-3-[(2s,3r,6r,11r)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3h,3'h-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid
+C[C@H]1CCCO[C@@]12CCC[C@H](O2)[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O	XT2	(2r)-2-hydroxy-3-[(2s,5r,6r,8s)-5-hydroxy-8-{(1r,2e)-3-[(2r,4a'r,5r,6's,8'r,8a's)-8'-hydroxy-6'-{(1s,3s)-1-hydroxy-3-[( 2s,6r,11s)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3h,3'h-spiro[furan-2,2'-pyrano[3,2-b]p yran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid
+c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCCC4	XT3	2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
+CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C	XT4	tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)C4CC4	XT5	5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@H]4CC[C@H](C4)O)NC5CNC5	XT7	5-[(azetidin-3-yl)amino]-n-[(1r)-1-{3-[5-({[(1s,3r)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccsc2)C(=O)O)C(=O)O)C	XT8	(2r,4s)-2-[(1r)-1-{[(2r)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CN1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)CN5CCC(CC5)CC(=O)O	XTA	(1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid
+CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4ccc(c(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)[N+](=O)[O-]	XTC	(4s,4as,5ar,12as)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
+c1cc(ccc1C(=O)c2c(csc2N)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cl	XTD	{2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone
+CC1=CN(C(=O)NC1=O)[C@@H]2C=C[C@@H]([C@H]([C@H]2F)O)COP(=O)(O)O	XTF	[(1r,4r,5s,6r)-5-fluoro-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O	XTG	4-nitrophenyl 6-thio-6-s-alpha-d-xylopyranosyl-beta-d-glucopyranoside
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@@H]([C@H](O2)COP(=O)(O)O)O	XTH	1-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione
+c1cc(cc(c1)F)COC(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO	XTJ	(3-fluorophenyl)methyl [(2s)-3-cyclopropyl-1-oxo-1-({(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate
+Cc1ccc(c2c1[nH]c(c2)C#N)OC[C@H](CNC(C)(C)C)O	XTK	4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1h-indole-2-carbonitrile
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](C=C2)COP(=O)(O)O)O	XTL	[(1s,4r,6r)-6-hydroxy-4-(thymin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+C1=NC2=C(C(=O)N=C(N2)N)NC1=O	XTN	2-amino-1,5-dihydropteridine-4,6-dione
+c1ccc(cc1)COC(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO	XTP	benzyl [(2s)-3-cyclopropyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](C=C2)COP(=O)(O)O)O	XTR	[(1r,4s,6s)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+c1nc2c(n1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O	XTS	9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-purine-2,6-dione
+c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4	XTV	2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
+c1ccc(c(c1)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4)Cl	XTW	2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol
+Cc1cc(c2c(c1)C(=O)NC(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	XTY	(1r)-1,4-anhydro-2-deoxy-1-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-8-yl)-5-o-phosphono-d-erythro-pentitol
+c1cc(ccc1NCC2=NC3=C(NC2)N=C(NC3=O)N)S(=O)(=O)Nc4nccs4	XTZ	4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-n-(1,3-thiazol-2-yl)benzenesulfonamide
+c1ccc2c(c1)-c3cccnc3NC2=O	XU1	benzo[c][1,8]naphthyridin-6(5h)-one
+c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3-c5ccccc5C(=O)N4	XU2	n-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(s4)Cl)S(=O)(=O)c5ccccc5Cl	XU3	(2s,4r)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+C[C@@H](c1ccccc1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	XU4	n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-{[(1s)-1-phenylethoxy]carbonyl}-l-leucinamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)C)S(=O)(=O)c5ccccc5Cl	XU5	(2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
+B(CCC(C(=O)O)N)(O)O	XU7	(2s)-2-amino-4-boronobutanoic acid
+C[Se][C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	XUA	2'-se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate)
+C[Se][C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O	XUG	2'-se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate)
+B(CC[C@H](C(=O)O)N)(O)O	XUJ	(2r)-2-amino-4-boronobutanoic acid
+C([C@H]([C@@H](C(=O)CO)O)O)O	XUL	d-xylulose
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)OCO3)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)OCC	XUM	diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)scn3)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)OCC	XUP	diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	XUS	diethyl [(4-{(2s,3r)-4-{[(4-aminophenyl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	XUV	diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate
+c1ccc(c(c1)Cc2ccc3cccnc3c2O)F	XV1	7-(2-fluorobenzyl)quinolin-8-ol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC	XV4	n-[(2s)-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O	XV6	[4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-d iyl] bis(methylene)]bis[n-2-thiazolylbenzamide]
+c1cc-2c(cc1S(=O)(=O)O)Cc3c2ccc(c3)S(=O)(=O)O	XV7	9h-fluorene-2,7-disulfonate
+c1cc(c(c(c1)Cl)c2ccc3c(c2)[nH]c(n3)O)OC(F)(F)F	XVD	6-[2-chloro-6-(trifluoromethoxy)phenyl]-1h-benzimidazol-2-ol
+c1ccc(cc1)C[C@@H](C(=O)CCl)NC(=O)OCc2ccccc2	XVE	phenylmethyl n-[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]carbamate
+CC(C)(C(=O)O)O/N=C(/c1c(sc(n1)N)Cl)\C(=O)N[C@@H](CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)c4cc(c(cc4C3=O)O)O)C=O	XVG	1-[(2s)-2-{[(2z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1h-pyrazole-3-carboxylic acid
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5	XVJ	diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	XVM	diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	XVP	diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2s)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
+CC[C@](C)(C(=O)CCCC[C@H]1C=CC(=O)O1)O	XVR	(5s)-5-[(6r)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5h)-one
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	XVS	diethyl [(4-{(2s,3r)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5	XVV	diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	XVY	diethyl [(4-{(2s,3r)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CCOC(=O)CCCC[C@@H](C(=O)O)N	XW1	(2s)-2-amino-7-ethoxy-7-oxoheptanoic acid
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	XW4	diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+c1cc(sc1c2cc(no2)[C@H]3[C@@H]4[C@H]([C@H]5[N@@]3CCC5)C(=O)N(C4=O)CCC[N+]6(CCCC6)CCO)Cl	XWG	(3as,4r,5s,8as,8br)-4-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-2-[3-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]propyl]-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizine-1,3-dione
+Cc1ccc(cc1NC(=O)C)NC(=O)c2ccc3c(c2)c(nn3C)c4ccc(cc4C)N	XWJ	n-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1h-indazole-5-carboxamide
+Cc1ccc(cc1NC(=O)c2ccc(cc2)C(=O)NC)NC(=O)c3ccc4c(c3)c(nn4C)c5ccc(cc5C)N	XWP	n~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1h-indazole-5-carbonyl]amino}-2-methylphenyl)-n~4~-methylbenzene-1,4-dicarboxamide
+c1ccc(cc1)N2CC[C@H](N[C@H]2O)O	XWS	(2r,4r)-1-phenylhexahydropyrimidine-2,4-diol
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3ccnc4)C5(CC5)[S@](=N)(=O)C	XWV	5-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(s-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline
+C[C@@H](c1ncc(cn1)F)Nc2nc(nc(n2)N3CCOCC3)Nc4cn(cn4)C	XWW	n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cccc4)C5(CC5)[S@](=N)(=O)C	XWY	(3r)-3-methyl-4-{6-[1-(s-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine
+c1cc(c(cc1NC(=O)CCl)S(=O)(=O)N2CCOCC2)Cl	XX0	2-chloro-n-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide
+c1[nH]c2c(n1)ncnc2NCCCC[C@@H](C(=O)O)N	XX1	n~6~-7h-purin-6-yl-l-lysine
+C1=CC(=O)[C](C=C1[N+](=O)[O-])O	XX2	1-keto,2-hydroxy,4-nitrobenzene, 1 electron oxidized
+C1=CC(=O)[C@@](C=C1[N+](=O)[O-])(O)OO	XX3	(1s)-1-hydroperoxy-1-hydroxy-2-keto-5-nitrocyclohexa-3,5-diene
+CN(C1CCCCC1)C(=O)CCN2Cc3cc(ccc3N=C2N)C(=O)c4ccccc4	XX4	3-(2-amino-6-benzoylquinazolin-3(4h)-yl)-n-cyclohexyl-n-methylpropanamide
+CC(C)C[C@@H](C(=O)O)N[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)C(=O)O	XX5	(s,s)-2-{1-carboxy-2-[3-(3,5-dichloro-benzyl)-3h-imidazol-4-yl]-ethylamino}-4-methyl-pentanoic acid
+c1ccc2c(c1)cc(c3c2cccc3)OC[C@@H](CNC(CO)CO)O	XX6	2-{[(2r)-2-hydroxy-3-(9-phenanthryloxy)propyl]amino}propane-1,3-diol
+c1ccc2c(c1)cc(c3c2cccc3)OC[C@H](CNC(CO)CO)O	XX7	2-{[(2s)-2-hydroxy-3-(9-phenanthryloxy)propyl]amino}propane-1,3-diol
+Cc1ncc(c(n1)N)Cc2cccc(c2)CO	XX8	{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol
+CC(C)(C)c1cc(ccc1O)N(Cc2ccccc2)C(=O)c3c(cc(cc3Cl)N(C)C)Cl	XX9	n-benzyl-n-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide
+C[C@H](C/C=C/C=C)[C@H]([C@@H](C(=O)O)NC)O	XXA	2,4,5-trideoxy-2-(methylamino)-4-[(2e)-penta-2,4-dien-1-yl]-l-xylonic acid
+CCCCn1c(ccn1)C(=O)O	XXB	1-butyl-1h-pyrazole-5-carboxylic acid
+c1ccc(cc1)CCCCCCC(=O)O	XXC	7-phenylheptanoic acid
+C(C[C@@H](CO)O)CO	XXD	(2s)-pentane-1,2,5-triol
+c1ccn(c1)c2ccnc(c2)C(=O)O	XXE	4-(1h-pyrrol-1-yl)pyridine-2-carboxylic acid
+C1=CC(=O)C(C=C1S(=O)(=O)O)(O)O	XXG	3,3-dihydroxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid
+c1cc(ccc1C=O)[N+](=O)[O-]	XXH	4-nitrobenzaldehyde
+c1ccc(cc1)S(=O)(=O)CCc2cc3c(nc2)N(C(=O)C(=C3N)C(=O)NCc4ccc(cc4F)F)O	XXJ	4-azanyl-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide
+c1cc2c3c(c(nc(n3)c4cc(cc(c4)O)N)N5CCOCC5)oc2nc1	XXK	3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol
+CCOC(=O)CN1c2ccccc2OCC1=O	XXL	ethyl (3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl)acetate
+C1[C@@]([C@H]([C@H](O1)O)O)(CO)O	XXM	3-c-(hydroxylmethyl)-alpha-d-erythrofuranose
+c1cc(oc1)c2cc(ccn2)C(=O)O	XXO	2-(furan-2-yl)pyridine-4-carboxylic acid
+C(=C/C(=O)C(=O)O)/C(=C\O)/[N+](=O)[O-]	XXP	2-keto,5-nitro,6-hydroxy-3,5-hexadienoic acid
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O	XXR	alpha-d-rhamnopyranose
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cn[nH]4)C5(CC5)[S@](=N)(=O)C	XXS	4-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(s-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1h-indazole
+C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1[C@H](C[C@@H]3O)OC(=O)C)C)OC(=O)C)C(=C)C(=O)O2	XXT	[(3as,5r,5as,6s,8s,8as,9s,9ar)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-6-yl] acetate
+C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(CC5)S(=O)(=O)N	XXV	1-{6-[(3r)-3-methylmorpholin-4-yl]-2-(1h-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O)O)N	XXX	(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside
+C[C@H]([C@@H](c1nc(c(n1CC(=O)O)[O-])Cc2cnc[nH]2)N)O	XXY	2-[(1r,2r)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1h-imidazol-5-ylmethyl)-1h-imidazol-5-olate
+c1cc2c(c(c1)F)C(=NC3(N2)CCN(CC3)C(=O)c4ccc(cc4)CN)N	XXZ	1-[4-(aminomethyl)benzoyl]-5'-fluoro-1'h-spiro[piperidine-4,2'-quinazolin]-4'-amine
+c1cc(ccc1C(=O)O)/N=N/c2cc(ccc2O)CCN	XY1	4-[(e)-[5-(2-azanylethyl)-2-oxidanyl-phenyl]diazenyl]benzoic acid
+CC(=O)N(C)CCN(C)c1ccc(c2c1non2)[N+](=O)[O-]	XY2	n,n'-dimethyl-n-(acetyl)-n'-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)ethylenediamine
+Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)N)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	XY3	5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1h-imidazole-2-carboxamide
+CC(C)NC(=O)Nc1ccccc1	XY4	n-phenyl-n'-propan-2-ylurea
+c1cc2c(cc1N)/N=N\c3cc(ccc3CC2)NCC=O	XY5	2-[[(5~{z})-8-azanyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-3-yl]amino]ethanal
+C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(O)O)O)F	XY7	1-[2-deoxy-5-o-(dihydroxyphosphanyl)-2-fluoro-beta-l-ribofuranosyl]pyrimidine-2,4(1h,3h)-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N	XYA	2-(6-amino-octahydro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O	XYB	4-o-beta-d-xylopyranosyl-beta-d-xylopyranose
+C1CCC(C1)C[C@@H](C(=O)O)N	XYC	(2~{s})-2-azanyl-3-cyclopentyl-propanoic acid
+Cc1ccc(c(c1)N)C	XYD	2,5-dimethylaniline
+[C@H]1([C@H]([C@@H](O[C@@H]([C@H]1O)F)[O-])O)O	XYF	5(r)-fluoro-beta-d-xylopyranose
+[H]/N=C(\C)/C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O	XYG	[(4z)-2-[(1z)-ethanimidoyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+[C@H]([C@@H](C(=O)NO)O)([C@H](C(=O)[O-])O)O	XYH	xylarohydroxamate
+CN1c2c(nc([nH]2)SCCC(=O)NS(=O)(=O)CCN3CCOCC3)C(=O)N(C1=O)C	XYJ	3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1h-purin-8-yl)sulfanyl]-n-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide
+C([C@@H](C([C@@H](CO)O)O)O)O	XYL	xylitol
+C(C(=O)O)S/C=C(/C(=O)O)\O	XYM	(2z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid
+C(C(=O)C(=O)O)SCC(=O)O	XYN	3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	XYP	beta-d-xylopyranose
+CC(=O)O[C@@H]1[C@@H]([C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	XYQ	(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate
+C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	XYS	alpha-d-xylopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O	XYT	cellobiose-6-phosphate
+CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)c3c(nc(s3)N4CCOCC4)c5cccc(c5)NS(=O)(=O)c6c(cccc6F)F	XYW	2,6-bis(fluoranyl)-n-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
+Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)C)Cl	XYY	(3s)-{4-chloro-3-[(n-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1h-1,2,3-benzotriazol-5-yl) propanoic acid
+C([C@@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O	XYZ	beta-d-xylofuranose
+COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F	XZ1	4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol
+CN(C)S(=O)(=O)c1cc(c(c2c1CN(C2=O)Cc3ccc(c(c3)Cl)F)O)O	XZ2	2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-n,n-dimethyl-1-oxo-2,3-dihydro-1h-isoindole-4-sulfonamide
+COc1ccc2c(n1)N(C(=O)C(=C2NCC(=O)OC)C(=O)NCc3ccc(cc3F)F)O	XZ4	methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-7-methoxy-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate
+C[C@H]([C@@H](c1ccc(cc1)Cl)C(=O)Nc2cc(ccc2Cl)[C@@H](CC(=O)O)C3CC3)C(F)(F)F	XZ7	runcaciguat
+CC1=C(C(=O)NN1)c2cn(c3c2cccc3)C(=O)C	XZ8	4-(1-acetyl-1h-indol-3-yl)-5-methyl-1,2-dihydro-3h-pyrazol-3-one
+C(=O)(NN)O	XZA	diazanecarboxylic acid
+CN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F	XZB	n-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4h,5h-thieno-3,2-c-pyridine-2-carboximidamide
+CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc-6ccnc6n(c5)COP(=O)(O)O)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C	XZD	phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester
+c1ccc(cc1)SC[C@@H](CCN2CCOCC2)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c4csc(n4)N5CCc6cccc(c6C5)C(=O)Nc7nc8ccccc8s7	XZM	n-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2r)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
+CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)OC)Cl	XZN	4-[(3,5-dichloro-4-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
+C1C[C@H]([C@@H](C1)N)C(=O)O	XZP	(1r,2r)-2-aminocyclopentane-1-carboxylic acid
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3cc(c(c(c3)F)C4CCN(CC4)C)F	XZS	n-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide
+c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl	XZV	4-(5-chlorofuran-2-carbonyl)-n-(cyclopropylmethyl)piperazine-1-carboxamide
+c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F)Cl	XZY	4-(5-chlorofuran-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
+CC1=CC(=O)Oc2c1cc(c(c2)O)Cl	XZZ	6-chloro-7-hydroxy-4-methyl-2h-chromen-2-one
+c1ccc(cc1)[C@@H](CO)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	Y	2'-deoxy-n6-(s)styrene oxide adenosine monophosphate
+C[C@H](CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O	Y00	dobutamine
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C	Y01	cholesterol hemisuccinate
+Cc1cc(c(c(c1)C)OCCNC(=O)[C@@H]([C@@H]([C@H]([C@@H](/C=C/C(C)(C)C)O)O)O)OC)C	Y02	(2r,3r,4s,5r,6e)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-n-[2-(2,4,6-trimethylphenoxy)ethyl]non-6-enamide
+c1ccc(c(c1)OCC(=O)Nc2cc(cc(c2)Cl)Cl)P(=O)(O)O	Y03	(2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+c1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)Cl	Y04	(2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+c1ccc(c(c1)OCC(=O)Nc2cccc(c2)Cl)P(=O)(O)O	Y06	(2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)P(=O)(O)O	Y07	[2-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethoxy)phenyl]phosphonic acid
+CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC[C@@H]1CCCN(C1)C(=O)C2CC2)OC)O)O)O	Y08	(e,2r,3r,4s,5r)-n-[[(3s)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide
+COc1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O	Y09	(2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+CCCCNC(=O)N1CCN(CC1)C(=O)c2ccco2	Y0A	n-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
+c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3	Y0D	n-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
+COc1ccc(c(c1)F)NC(=O)N2CCN(CC2)C(=O)c3ccco3	Y0G	n-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
+c1ccc2c(c1)nc(o2)NC(=O)N3CCN(CC3)C(=O)c4ccco4	Y0J	n-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
+Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N	Y0R	5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
+c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)I	Y0V	2-hydroxy-3,5-diiodo-4-(1h-pyrrol-1-yl)benzoic acid
+COc1c(ccc(c1)c2cc(c(cc2)/N=N/c3c(c4c(c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)N)O)OC)/N=N/c5c(c6c(c(cc(c6cc5)S(=O)(=O)O)S(=O)(=O)O)N)O	Y0X	6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(e)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid)
+COc1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3	Y0Y	4-(furan-2-carbonyl)-n-(4-methoxyphenyl)piperazine-1-carboxamide
+[Y+2]	Y1	yttrium ion
+CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC1Cc2ccccc2C1)OC)O)O)O	Y10	(e,2r,3r,4s,5r)-n-(2,3-dihydro-1h-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide
+CN1CCC(CC1)(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3	Y11	n-[(1s)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
+CC(=O)Oc1ccc(cc1OC(=O)C)\C=C\C(=O)NCCc2ccccc2	Y12	4-{(1e)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}-1,2-phenylene diacetate
+c1cc(ccc1CCNC(=O)\C=C\c2ccc(c(c2)O)O)O	Y13	(2e)-3-(3,4-dihydroxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]acrylamide
+c1ccc(cc1)C[N@]2CC[C@](C2)(C#N)NC(=O)[C@H](CC3CCCCC3)NC(=O)N4CCOCC4	Y14	n-[(1s)-2-{[(3s)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
+C[C@](COCc1ccccc1)(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3	Y15	n-[(1s)-2-{[(1r)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
+CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC(=O)N)OC)O)O)O	Y16	(e,2r,3r,4s,5r)-n-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide
+CN1C[C@@H](CC1=O)CCn2c3ccccc3c4c2CCNC4=O	Y17	5-{2-[(3r)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-1-one
+CN1C[C@H](CC1=O)Cn2c3ccccc3c4c2CCNC4=O	Y18	5-{[(3r)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-1-one
+CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O	Y19	1-deoxy-1-{[(5s)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-d-ribitol
+CC(C)NC(=O)N1CCN(CC1)C(=O)c2ccco2	Y1A	4-(furan-2-carbonyl)-n-(propan-2-yl)piperazine-1-carboxamide
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3F)F	Y1D	n-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
+c1ccc(cc1)c2c(c3ccc(cc3o2)Br)CC(=O)O	Y1G	(6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3	Y1J	n-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3=SCCC3	Y1M	n-[(3,4-dihydro-2h-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
+CC(C)(C(=O)O)Oc1ccc(cc1)CCOc2ccc(cc2)/N=N/c3ccccc3	Y1N	2-methyl-2-[4-[2-[4-[(e)-phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic acid
+COCCNC(=O)N1CCN(CC1)C(=O)c2ccco2	Y1P	4-(furan-2-carbonyl)-n-(2-methoxyethyl)piperazine-1-carboxamide
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F	Y1S	4-(furan-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
+C[C@H](C[C@@H](C(=O)O)N)CN	Y1V	(4r)-5-amino-l-leucine
+COc1ccc2c(c1)c(c(cn2)F)[C@H](CC3OCC(CO3)NCc4ccc5c(c4)OCCO5)O	Y1W	(1s)-2-[(2r,5s)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol
+Cc1ccc(s1)C(=O)OC[C@H]([C@H](CC(=O)O)N)O	Y1Y	3-amino-2,3-dideoxy-5-o-(5-methylthiophene-2-carbonyl)-d-erythro-pentonic acid
+Cc1nnc2n1nc(c3c2cccc3)c4ccc(c(c4)NS(=O)(=O)c5ccccc5Cl)N6CCOCC6	Y1Z	2-chloro-n-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide
+C[C@H]1COc2c3c(cc(c2N4CC[C@H](C4)C5(CC5)N)F)C=C(C(=O)N31)C(=O)O	Y21	(3s)-10-[(3r)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
+c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C(F)(F)F	Y22	6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid
+C[C@H](C[C@@H](C[C@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O	Y24	1,1',1'',1''',1''''-[(3r,5s,7s,9r)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one)
+C[C@H](C1CCC(CC1)C(=O)Nc2ccncc2)N	Y27	(r)-trans-4-(1-aminoethyl)-n-(4-pyridyl) cyclohexanecarboxamide
+c1ccc(cc1)COc2ccc(cc2)C[C@H](C(=O)O)NC(=O)C(=O)O	Y28	o-benzyl-n-(carboxycarbonyl)-d-tyrosine
+C(C(=O)O)[C@](CC(=O)OP(=O)(O)O)(C(=O)O)O	Y2A	(2s)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@H]3C[C@@H]3c4cccc(c4)F	Y2B	6-{[(3r,4r)-4-(2-{[(1s,2r)-2-(3-fluorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C=CC(=O)N1C[C@H]([C@@H](C1)OCc2ccc(cc2)C(F)(F)F)n3cc(nn3)c4cccnc4	Y2D	1-[(3r,4r)-3-[4-(pyridin-3-yl)-1h-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@@H](C)Cc3cccc(c3)F	Y2F	6-{[(3r,4r)-4-(2-{[(2s)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCCOC	Y2G	n-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
+COCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)Cl	Y2J	4-(5-chlorofuran-2-carbonyl)-n-(2-methoxyethyl)piperazine-1-carboxamide
+Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3	Y2M	n-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
+C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@@]3(C[C@H](c4c3ccc(c4)c5cnn(c5)CC(=O)NC)F)NC2=O	Y2P	2-[4-[(3'r,4s)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1s)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-n-methyl-acetamide
+Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F	Y2V	4-(5-methylfuran-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
+C(CC(=O)O)[C@H]([C@H](CC(=O)O)N)O	Y2Y	(3s,4r)-3-amino-4-hydroxyheptanedioic acid
+CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O	Y3	4-acetylamino-5-hydroxynaphthalene-2,7-disulfonic acid
+CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)OCc4ccc(cc4)Cl)C=O	Y30	3-{(1s)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1h-indole-2-carboxylic acid
+c1c(cncc1Br)C(=O)O	Y31	5-bromopyridine-3-carboxylic acid
+c1c2c(c(s1)C(=O)O)OCCO2	Y34	2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid
+[B-]1(Oc2ccc(cc2O1)C(=O)N3CCC(CC3)c4cccc(c4)CN)(c5cccc(c5)c6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)O	Y35	(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappao)phenyl]methanonato(2-)hydroxyborate(1-)
+CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC)C	Y36	n-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1h-indol-4-yl}ethanesulfonamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C[C@@H](C[C@H]2F)C(=O)O)O	Y37	(1r,4r)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid
+CC(C)[C@H](C(=O)O)N(CCNC(=O)c1ccccc1)S(=O)(=O)c2ccc(cc2)c3ccccc3	Y38	n-[2-(benzoylamino)ethyl]-n-(biphenyl-4-ylsulfonyl)-d-valine
+CCCCCCCCC[C@H]1C[C@@H]1C(=O)O	Y39	(1s,2s)-2-nonylcyclopropanecarboxylic acid
+c1ccc(cc1)C[C@@H]([C@H](CCl)O)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2	Y3A	n-[(benzyloxy)carbonyl]glycyl-n-[(2s,3r)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2C[C@H](CC2=O)C(=O)O)O	Y3D	(1r,3s)-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid
+C#CC1=CNC(=O)NC1=O	Y3G	5-ethynylpyrimidine-2,4(1h,3h)-dione
+c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)C(F)F)O)O)N	Y3J	5,5-difluoromethyl adenosine
+CC(=O)Nc1nc2ccc(cc2s1)Cl	Y3L	n-(5-chloranyl-1,3-benzothiazol-2-yl)ethanamide
+CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(CCCC3=N2)O)c4ccc(o4)Sc5[nH]c6ccccc6n5	Y3M	ethyl (9s)-9-[5-(1h-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2h-pyrrolo[3,4-b]quinoline-3-carboxylate
+C(=C(/C(=O)O)\O)\C(=O)O	Y3P	(~{z})-2-oxidanylbut-2-enedioic acid
+C[C@H]1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O)c3c(ccs3)F	Y3S	(2r)-4-(3-fluorothiophene-2-carbonyl)-n-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](Cc3ccc(cc3)O)N)O)O	Y3U	[(2~{r},3~{s},4~{r},5~{r})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
+C[C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn3C	Y3V	(2s)-n-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1h-pyrrole-2-carbonyl)piperazine-1-carboxamide
+C[C@H]1CN(CCN1C(=O)NCCOC)C(=O)c2cccs2	Y3Y	(2s)-n-(2-methoxyethyl)-2-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
+Cc1c(cccc1N)C(=O)N[C@H](C)c2cccc3c2cccc3	Y41	3-amino-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide
+c1cc(cnc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3	Y44	n-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
+c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NS(=O)(=O)c3ccccc3)N	Y46	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzenesulfonamide
+Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3	Y47	4-(5-methylfuran-2-carbonyl)-n-[(pyridin-3-yl)methyl]piperazine-1-carboxamide
+c1ccc(cc1)N2c3c(c(nc(n3)c4ccc(cc4)C(=O)O)C(=O)N)NC2=O	Y49	4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7h-purin-2-yl)benzoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2	Y4D	(1r,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@@H]3CC=C[C@@H](C3)C2	Y4J	(1r,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CN(C)S(=O)(=O)Nc1ccc(cc1)Cl	Y4L	((4-chlorophenyl)sulfamoyl))dimethylamine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@H]3CC[C@@H]2C3	Y4P	(1r,2s)-2-((s)-2-(((((1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3	Y4V	(1r,2s)-2-((s)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)N)OC)OC)C	Y50	e-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3C[C@H]2C=C3	Y51	(1r,2s)-2-((s)-2-(((((1s,2s,4s)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CO/C=C(\c1ccccc1CSc2nc3cc(ccc3s2)OC)/C(=O)OC	Y52	methyl (2e)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@@H]4CC[C@@H](C4)O)NC5CNC5	Y54	5-[(azetidin-3-yl)amino]-n-[(1r)-1-{3-[5-({[(1r,3s)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide
+c1cc(oc1)c2ccc3c(c2)C(=O)N(C(=O)C3)O	Y55	7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2h,4h)-dione
+CC(C)N(CCCC[C@@H](C(=O)O)N)CCc1ccccc1	Y57	n~6~-(2-phenylethyl)-n~6~-propan-2-yl-l-lysine
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(c(c5)F)C6CCN(CC6)C	Y5D	{1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C6CCN(CC6)C	Y5G	{1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile
+C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4coc(n4)c5ccc(s5)Cl	Y5H	3-[(3as,4r,5s,8as,8br)-4-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
+COc1ccc2c(c1)NC(=O)CN2c3c4c(cco4)nc(n3)Cl	Y5J	4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)Cl)CCC4	Y5L	4-(2-chloro-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+Cc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2	Y5M	7-methoxy-4-(2-methyl-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1h)-one
+C1C=CN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	Y5P	1-(5-o-phosphono-beta-d-ribofuranosyl)-1,4-dihydropyrimidine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2	Y5S	(1s,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+Cc1ccccc1C2=NC(=C(C(=O)N2)O)C(=O)NCCc3ccc(c(c3)OC)O	Y5V	5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
+CCn1c2c(c(ncn2)N[C@H]3CCN(C3)C(=O)C4CC4)nc1c5cnc(nc5)C	Y5Y	cyclopropyl[(3s)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9h-purin-6-yl]amino}pyrrolidin-1-yl]methanone
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CNC(=O)C)NC4CNC4	Y61	n-[(1r)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@@H]3CC=C[C@@H](C3)C2	Y64	(1s,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)C5=CC=CNC5=O	Y67	2-(benzotriazol-1-yl)-~{n}-[(3-chlorophenyl)methyl]-~{n}-[4-(2-oxidanylidene-1~{h}-pyridin-3-yl)phenyl]ethanamide
+CCOCCOCCOCCCCCCCCCCC=O	Y69	11-[2-(2-ethoxyethoxy)ethoxy]undecanal
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5c[nH]nc5	Y6A	2-(benzotriazol-1-yl)-~{n}-[4-(1~{h}-pyrazol-4-yl)phenyl]-~{n}-(thiophen-3-ylmethyl)ethanamide
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5cccnc5	Y6D	2-(benzotriazol-1-yl)-~{n}-(4-pyridin-3-ylphenyl)-~{n}-(thiophen-3-ylmethyl)ethanamide
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5c[nH]cn5	Y6G	2-(benzotriazol-1-yl)-~{n}-[4-(1~{h}-imidazol-4-yl)phenyl]-~{n}-(thiophen-3-ylmethyl)ethanamide
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)C5CC5	Y6J	~{n}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide
+c1cc2c(cc1O)NC(CC2)O	Y6M	(2r)-1,2,3,4-tetrahydroquinoline-2,7-diol
+Cc1cccc2c1[nH]c(c2c3c[nH]nc3)C(=O)O	Y6P	7-methyl-3-(1~{h}-pyrazol-4-yl)-1~{h}-indole-2-carboxylic acid
+c1cc(cc2c1cc([nH]2)C(=O)O)I	Y6S	6-iodanyl-1~{h}-indole-2-carboxylic acid
+c1cc(sc1)CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4	Y6V	~{n}-cyclopropyl-3-oxidanylidene-~{n}-(thiophen-2-ylmethyl)-4~{h}-1,4-benzoxazine-7-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CCC[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O	Y6W	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (s)-{3-[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]propyl}phosphonate
+Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)OCc3nnc(n3c4cccnc4)SC5CCCC5	Y6Y	3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine
+c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O	Y70	s-pomalidomide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3C[C@H]2C=C3	Y71	(1s,2s)-2-((s)-2-(((((1s,2s,4s)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+C/C(=C/COP(=O)(O)O)/CCN=[N]=N	Y77	[(~{z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate
+CCCC/C(=C\COP(=O)(O)OP(=O)(O)O)/C	Y7D	(2z)-3-methylhept-2-en-1-yl trihydrogen diphosphate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@H]3CC[C@@H]2C3	Y7G	(1s,2s)-2-((s)-2-(((((1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3	Y7M	(1s,2s)-2-((s)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN	Y7N	5-[(e)-[(2s)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C[C@@H](C[C@@H]2C)C(=O)O)O	Y7S	(1~{r},3~{s},4~{r})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid
+c1cc(cc(c1)I)F	Y7V	1-fluoranyl-3-iodanyl-benzene
+COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)N(C(=O)N2)C(=O)OC	Y7Y	methyl (3as,4s,6ar)-4-(5-methoxy-5-oxopentyl)-2-oxohexahydro-1h-thieno[3,4-d]imidazole-1-carboxylate
+COc1ccc(cc1)/C=C(\c2ccccc2)/C(=O)N3CC(=O)Nc4c3cccc4	Y80	4-[(2e)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1h)-one
+c1ccc(cc1)c2cc(cnc2)C(=O)N3CC(=O)Nc4c3cccc4	Y81	4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1h)-one
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSC[C@H](C(=O)NCc3cccnc3)Nc4ccccc4	Y83	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
+c1ccc2c(c1)cccc2F	Y84	1-fluoranylnaphthalene
+c1cc(ccc1F)Br	Y87	1-bromanyl-4-fluoranyl-benzene
+CC1=NCCc2c1n(c3c2cc(cc3)OC)Cc4ccc(cc4)Cl	Y8A	9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3h-beta-carboline
+c1cc(ccc1F)I	Y8D	1-fluoranyl-4-iodanyl-benzene
+CCCCc1cccs1	Y8G	2-butylthiophene
+c1cc(c(cc1Br)Br)O	Y8I	2,4-bis(bromanyl)phenol
+CCCCc1cccnc1	Y8J	3-butylpyridine
+CC1=C(SC(=O)N1C)c2ccnc(n2)N=C3CC=C(C=C3)N4CCNCC4	Y8L	3,4-dimethyl-5-(2-{[(1z)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]amino}pyrimidin-4-yl)-1,3-thiazol-2(3h)-one
+c1ccc(cc1)CCCc2ccc(cc2)N	Y8M	4-(3-phenylpropyl)aniline
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CC(CC[C@@H]2C)C(=O)O)O	Y8P	(3~{s},4~{s})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3CC=C[C@@H](C3)C2	Y8S	(1r,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3CC=C[C@@H](C3)C2	Y8V	(1s,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2	Y8Y	(1r,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2	Y91	(1s,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)NCC=C	Y94	2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)NC(=O)N	Y95	5-[(carbamoylcarbamoyl)amino]-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)/C=N/O	Y96	5-[(e)-(hydroxyimino)methyl]-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@@H]4CCOC4)NC5CNC5	Y97	5-(azetidin-3-ylamino)-2-methyl-~{n}-[(1~{r})-1-[3-[5-[[[(3~{r})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide
+Cc1ccc(cc1)COc2cccc(c2)CNc3[nH]nnn3	Y9A	~{n}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{h}-1,2,3,4-tetrazol-5-amine
+c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c(nsn3)O)F)F	Y9B	4-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O	Y9Y	paranitrophenyl-alpha-l-galactopyranoside
+CC(=O)NCCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O	Y9Z	5'-o-[(s)-{[(s)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+CCCC[C@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YA1	(1r,3r,7e,17beta)-17-[(2r,3r)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CCCC[C@H](CC(CC)(CC)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YA2	(1r,3r,7e,17beta)-17-[(2r,3r)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCc4cn(nn4)CCCCNC(=O)CNc5cccc6c5C(=O)N(C6=O)C7CCC(=O)NC7=O)c8ccc(cc8)Cl)C	YA3	2-((s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-n-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1h-1,2,3-triazol-4-yl)methyl)acetamide
+C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)S)O)O	YA4	[(2~{r},3~{s},4~{s})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid
+C[C@@H]1CN(C[C@@H](O1)C)c2cc(ccn2)c3cc(c4c(c3)C(=O)NC4)c5cc(c(nc5)OC)NS(=O)(=O)C	YA7	n-(5-(6-(2-((2s,6r)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide
+c1ccc(cc1)C(=O)/C=C\CCC(=O)O	YAC	(4z)-6-oxo-6-phenylhex-4-enoic acid
+c1ccc(cc1)COC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)NCCc4ccncc4	YAD	(phenylmethyl) (2~{s})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{h}-pyrimidin-2-yl]pyrrolidine-1-carboxylate
+COc1cccc(c1)c2ncc(s2)CN3CCC(CC3)(CO)O	YAG	4-(hydroxymethyl)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-ol
+CN1C[C@@H](C[C@H]1CO)NC(=O)Cc2ccc3c(c2)NC(=O)CO3	YAJ	~{n}-[(3~{r},5~{s})-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-2-(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)ethanamide
+CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(=N2)C3=C([C@@H]4CCC[C@@H]4N(C3=O)Cc5ccc(cc5)F)O	YAK	n-{3-[(4ar,7as)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1h-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C	YAM	n-methyl-n-{3-[({2-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide
+c1ccc(c(c1)Cl)Cl	YAN	1,2-dichlorobenzene
+c1cc(ccc1C[C@@H](C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O	YAP	5'-o-[(r)-{[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine
+CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H]([C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	YAS	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{s},3~{r},4~{s},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate
+c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)O)Cl	YAU	n-{2-chloro-5-[(3s,4r)-1-[(3r)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCOCCOCCNC(=O)c4cccc(c4)C#Cc5c(c6cc(ccc6o5)C)CC(=O)O)CC(=O)O	YAV	2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid
+c1cc(c(cc1/C=C/C(=O)O)Cl)O	YAZ	(2e)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid
+[Yb+3]	YB	ytterbium (iii) ion
+[Yb+2]	YB2	ytterbium (ii) ion
+CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5NC(=O)CC)N6CCN(CC6)C)CC	YB4	~{n}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
+Cc1cc([nH]c1C(=O)N[C@@H](CN)c2ncc(s2)CO)c3ccc(cn3)C(F)(F)F	YB7	~{n}-[(1~{s})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1~{h}-pyrrole-2-carboxamide
+c1cc(c(cc1c2ccc([nH]2)C(=O)N[C@@H](CN)c3nc(cs3)CO)F)C(F)(F)F	YBA	~{n}-[(1~{s})-2-azanyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoranyl-4-(trifluoromethyl)phenyl]-1~{h}-pyrrole-2-carboxamide
+c1cc(c(cc1c2ccc([nH]2)C(=O)N[C@H](CN)c3ncc(s3)CO)F)Cl	YBD	~{n}-[(1~{r})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{h}-pyrrole-2-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC	YBG	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol
+c1ccc2c(c1)ncc(n2)Oc3ccc(cc3)C(=O)NCCCC[C@@H](c4cccs4)C(=O)N[C@@H](CC(=O)O)C=O	YBH	4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-butyric acid
+COc1cccc(c1)COC(=O)c2c(c3ccccc3s2)OC4CCNCC4	YBN	3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate
+c1ccc(cc1)CC2(CCN(CC2)C(=O)c3cccnc3c4ccncc4)O	YBS	[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone
+C1C[O@@H][Y]234[N]1(CC[O@@H]2)C(C[OH]3)(C[O@@H]4)CO	YBT	bis-(2-hydroxyethyl)amino-tris(hydroxymethyl)methane yttrium
+c1cc(c(cc1C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I)O	YBY	n-{[(1s)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-l-glutamic acid
+c1ccc(cc1)Cn2c3ccccc3c(n2)c4ccc(o4)CO	YC1	[5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I	YC2	n-{[(1s)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-l-glutamic acid
+c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O	YC8	3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(ccc2CF)C(=O)O)O	YCD	(4~{r})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid
+[H]/N=C(\N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/O)/N)/C)/NO	YCF	(2e)-n-hydroxy-2-[1-(4-{[(4-{(1e)-1-[2-(n'-hydroxycarbamimidoyl)hydrazinylidene]ethyl}phenyl)carbamoyl]amino}phenyl)ethylidene]hydrazinecarboximidamide
+Cc1ccccc1C2=NN(C(C2)(C)C)C(=O)c3ccncc3	YCG	[5,5-dimethyl-3-(2-methylphenyl)-4~{h}-pyrazol-1-yl]-pyridin-4-yl-methanone
+Cc1ccc(c(c1)C(=O)N2CCC(CC2)(Cc3ccccc3)O)c4ccncc4	YCJ	(5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone
+[H]/N=C(/CCl)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1C(=O)O	YCL	2-{[(2s)-1-amino-5-{[(1z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid
+C([C@@H](C(=O)O)N)SCC(=O)N	YCM	s-(2-amino-2-oxoethyl)-l-cysteine
+C1CNCCNCCNCCN1	YCN	1,4,7,10-tetraazacyclododecane
+c1ccc2c(c1)N=C3C(=CN(C(=O)N3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O2	YCO	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-pyrimido[5,4-b][1,4]benzoxazin-2(3h)-one
+C1CCN[C@@H](C1)C(=O)O	YCP	(2s)-piperidine-2-carboxylic acid
+C[C@H](C(=O)N)Oc1ccc(cc1)Br	YCS	(2~{r})-2-(4-bromanylphenoxy)propanamide
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)OC	YCU	1-[5-(2-methoxyethyl)-4-methyl-thiophen-2-yl]sulfonyl-3-[4-methoxy-6-(methylcarbamoylamino)pyridin-2-yl]urea
+CN(C)C(=O)COc1c(cc(cc1OC)c2cccc3c2cn[nH]3)C=O	YCV	2-[4-(1~{h}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{n},~{n}-dimethyl-ethanamide
+COc1ccc(cc1)S(=O)(=O)Nc2ccccc2	YCY	4-methoxy-~{n}-phenyl-benzenesulfonamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl	YD1	6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{h}-pyrimidine-2,4-dione
+Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@H]4CCNC[C@H]4OCC5CCS(=O)(=O)CC5	YD3	8-[[(3r,4r)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1h-quinolin-2-one
+Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4CCNC[C@H]4OCC5CCS(=O)(=O)CC5	YD4	4-({[(3r,4r)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione
+CC(C)OC1CN(C1)C(=O)N[C@@H]2CCCCc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C	YD7	~{n}-[(5~{r})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{h}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide
+Cc1c(c([nH]c1c2[nH]c3ccc(cc3n2)N4CCN(CC4)C)C)C(=O)C	YD8	1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-pyrrol-3-yl]ethanone
+CC(C)(C)n1cc(nn1)C(=O)N[C@@H]2CCN(Cc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C)C6COC6	YDA	1-~{tert}-butyl-~{n}-[(5~{r})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide
+CCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	YDD	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5s)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate
+CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N	YDI	5-[4-(2-dimethylaminoethyloxy)phenyl]-2-ureido-thiophene-3-carboxamide
+c1cc(cc(c1)F)c2cc(c(s2)C(=O)N[C@H]3CCCNC3)NC(=O)N	YDJ	5-(3-fluorophenyl)-n-[(3s)-3-piperidyl]-3-ureido-thiophene-2-carboxamide
+c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3	YDK	2-(carbamoylamino)-5-phenyl-n-[(3s)-piperidin-3-yl]thiophene-3-carboxamide
+CC(=CCN([C@H]1CNC[C@@H]1N(CC=C(C)C)S(=O)(=O)c2ccc(cc2)C(=O)N)S(=O)(=O)c3ccc(cc3)C(=O)N)C	YDP	(3s,4s),-3,4-bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)SC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O	YDR	6-s-alpha-d-mannopyranosyl-6-thio-alpha-d-mannopyranose
+C[C@@](CS(=O)(=O)C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(n3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O	YDY	(2s)-n-[(6as,7r,9as)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5h-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide
+C[n+]1cn(c2c1c(nc(n2)N)O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)OC	YDZ	[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O	YE1	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-4-({3-[(2-{[(3,5-dihydroxyphenyl)acetyl]amino}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS/C(=C/c4cc(cc(c4)O)O)/O)O	YE2	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-4-[[3-[2-[(~{e})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+CN1C=C(C(=O)c2c1ccc(c2)CN3CCOCC3)C(=O)NCc4ccc(cc4)Cl	YE4	n-(4-chlorobenzyl)-1-methyl-6-(morpholinomethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
+CCOc1ccc(cc1c2cccc(c2)c3n[nH]nn3)C(=O)C	YE5	1-[4-ethoxy-3-[3-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone
+c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl	YE6	5-(2-chlorophenyl)furan-2-carbohydrazide
+c1ccc2c(c1)ccn3c2nc(c3)C(=O)NN	YE7	imidazo[2,1-a]isoquinoline-2-carbohydrazide
+CC[C@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc3cn(c4c3cccc4)OC)CCCCCC(CC)(O)O	YED	(3s,6s,9s,15ar)-9-[(2s)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1h-indol-3-yl)methyl]octahydro-2h-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3h,12h)-tetrone
+C1CCC(C1)O	YEG	cyclopentanol
+CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4	YEJ	8-[[(3r,4r)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1h-1,7-naphthyridin-2-one
+CCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C	YEM	n-{(1s)-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]pentyl}-1-methylazetidine-3-carboxamide
+CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N	YEN	n-{(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-alpha-glutamyl-l-aspartamide
+C(CO)C(CCO)C(CO)(CO)CO	YES	3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol
+Cc1cc2cc(ccc2o1)/N=C(/NC#N)\N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4	YET	1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine
+CCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H](C)c4c([nH]c5c4cc(cc5)O)C	YEV	(2r)-2-(5-hydroxy-2-methyl-1h-indol-3-yl)-n-{(1s)-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]pentyl}propanamide
+CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccc[nH]4	YEX	5-methyl-8-(1h-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
+c1cc([nH]c1)c2ccc3c(c2)OCCO3	YEY	2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1h-pyrrole
+Cc1cnc(nc1N)C	YF1	2,5-dimethylpyrimidin-4-amine
+CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)c5cn(c6c5C=CNC6=O)C	YF2	n-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-3-yl)-1h-indol-4-yl}ethanesulfonamide
+Cc1ncc(c(n1)N)CNC(C)CS	YF3	2-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}propane-1-thiol
+CCN(C)Cc1cnc(nc1N)C	YF4	5-{[ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine
+CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CCNCC6)C	YF6	n-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1h-indol-4-yl)ethanesulfonamide
+Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4cccc(c4)F)P(=O)(O)O	YF7	[(1s)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid
+CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3F)C(=O)N(C=N4)[C@H](c5ccccc5)C(=O)Nc6nccs6	YFA	(2r)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4h)-yl}-2-phenyl-n-(1,3-thiazol-2-yl)acetamide
+CC(=CCC/C(=C/Cc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)/C)C	YFB	amorfrutin b
+CCCCCc1cc(c(c(c1C(=O)O)O)CC=C(C)C)OC	YFD	amorfrutin 2
+CC(=CCc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)C	YFE	amorfrutin 1
+[H]/N=C(/CF)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1C(=O)O	YFF	2-{[(2s)-1-amino-5-{[(1z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid
+c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)NC4CCCC4	YFG	7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3h)-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC	YFP	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol
+CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC)c2cnco2)N	YFS	n-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-d-leucinamide
+CC(C)c1nnc(s1)c2cccc(c2)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N	YFV	5-[(4-aminopiperidin-1-yl)methyl]-n-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
+CC(C)[C@H]1CCCN[C@H]1C(=O)Nc2ccc(c(c2)OC)c3cnco3	YFY	(2r,3r)-n-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide
+Cc1c(n2c(n1)N(c3c(ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C2=O)C)CC[C@H](C(=O)OC)NC(=O)OC	YG	wybutosine
+CC(=O)Nc1ccc2c(c1)OCc3cc(nn3C2)c4ccccc4C#CCCCO	YG1	n-{(11s)-2-[2-(5-hydroxypent-1-yn-1-yl)phenyl]-4h,10h-pyrazolo[5,1-c][1,4]benzoxazepin-7-yl}acetamide
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CNc6c5ncnc6N)OC)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@H](O7)N8C=CC(=O)NC8=O)O)O)O)O	YG4	[(2~{r},3~{r},4~{r},5~{r})-5-(6-azanyl-7,8-dihydropurin-9-yl)-2-[[[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-methoxy-oxolan-3-yl] [(2~{r},3~{s},4~{r},5~{s})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N	YG7	5-{4-[4-(5-cyano-1h-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide
+c1ccc(cc1)CCSc2cnn[nH]2	YGG	5-[(2-phenylethyl)sulfanyl]-1h-1,2,3-triazole
+c1ccc(cc1)CCOc2ccc(cc2)O	YGJ	4-(2-phenylethoxy)phenol
+c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N	YGL	2-amino-5,6-diphenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+C=CCCc1ccccc1	YGM	(but-3-en-1-yl)benzene
+CC1=CC(=C(C(=O)N1)C)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	YGP	5'-o-[(r)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine
+CC(=C)Cc1ccccc1	YGS	(2-methylprop-2-en-1-yl)benzene
+CSc1ccccc1Cl	YGV	1-chloro-2-(methylsulfanyl)benzene
+C[C@@H]([C@@H]1C/C=C\C(=O)N[C@H](C(=O)NCC(C(=O)O[C@H](C(=O)O1)CC(C)C)(C)C)Cc2ccc(c(c2)Cl)OC)[C@@H]3[C@H](O3)c4ccccc4	YGY	cryptophycin 52
+[OH2][Y+2]	YH	yttrium ion, 1 water coordinated
+c1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N	YH1	2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6h-purin-6-one
+c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)C#N	YH2	4-{[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]methyl}benzonitrile
+Cc1cccc(c1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N	YH3	2-amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6h-purin-6-one
+Cc1ccccc1C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N	YH4	2-amino-8-{[2-(2-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6h-purin-6-one
+COc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N	YH5	2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6h-purin-6-one
+Cc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N	YH6	2-amino-8-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6h-purin-6-one
+C1=NC2=C(NC(=S)N=C2N1)N	YH7	6-amino-1,9-dihydro-2h-purine-2-thione
+B([C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@@H]3CCCN3C)(O)O	YHD	n-[(1r)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-l-prolinamide
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)OCc3ccccc3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO)C	YHI	benzyl (1r,2s,5s)-2-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
+c1ccc(cc1)COC(=O)N2C[C@@H]3CCCC3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO	YHJ	benzyl (1s,3ar,6as)-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1h)-carboxylate
+C1[C@H]([C@H]([C@H]([C@H]1O)O)O)N	YHO	(1s,2s,3r,4r)-4-aminocyclopentane-1,2,3-triol
+CCN1c2c(c(nn2c3ccccc3)CN)[C@@H]([C@@H](C1=O)NC(=O)c4cccc(c4)C(F)(F)F)c5ccc(cc5)F	YHP	n-[(4s,5s)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide
+Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CC[C@@H](C4)N(C)S(=O)(=O)C)F	YHV	4-fluoro-n-[(1r,3s)-3-{(3s)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1h-indole-2-carboxamide
+c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-]	YHX	4-nitroquinoline 1-oxide
+Cc1ccc(c2c1[nH]c(c2)C(=O)Nc3cccc(c3)N4CCC(CC4)N(C)C)F	YHY	n-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1h-indole-2-carboxamide
+COc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl	YI0	4-chloro-6-[5-(4-methoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
+c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2ccc(cc2)CO[NH3+]	YI1	[4-[3-(difluoro-phosphono-methyl)phenyl]phenyl]methoxyazanium
+CCC(CC)(CS[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O	YI2	(1r,2e,3r,5z,7e)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol
+CCCC[C@@H]\1CC[C@]2([C@H](/C1=C/C=C3C[C@H](C[C@@H](C3)O)O)CC[C@@H]2[C@H](C)CCCC(C)(C)O)C	YI3	(1r,3r,7e,9beta,17beta)-9-butyl-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CC[C@H](/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)CC=C)C	YI4	(1r,2z,3r,5e,7e,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol
+COc1ccc(cc1OC)c2c(nns2)c3cc(c(cc3O)O)Cl	YI5	4-chloro-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
+CCOc1ccc(cc1)CC(=O)O	YI6	2-(4-ethoxyphenyl)ethanoic acid
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCCN2C(=O)CCC3CCCC3	YIC	(2s)-2-[[(2s)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
+c1cc(ccc1Cc2[n-]nnn2)Cl	YIE	5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
+c1cc(c(cc1OCc2n[n-]nn2)Cl)Cl	YIH	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene
+c1ccc2c(c1)C3=C([C@@H](N4C(=N3)NC=N4)c5ccc(cc5)Br)[C@H](O2)c6ccc(cc6)Br	YIN	(6r,7s)-6,7-bis(4-bromophenyl)-7,11-dihydro-6h-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O	YIO	1-thio-beta-d-galactopyranose
+c1cc(cc(c1)Cl)OCc2n[n-]nn2	YIP	5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene
+C/C(=N\NC(=N)N)/c1ccc2c(c1)cc([nH]2)C(=O)Nc3ccc4cc[nH]c4c3	YIQ	(e)-5-(1-(2-carbamimidoylhydrazono)ethyl)-n-(1h-indol-6-yl)-1h-indole-2-carboxamide
+[H]/N=C(\N)/N/N=C/1\CCCc2c1ccc(c2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-]	YIR	(e)-n-(5-(2-carbamimidoylhydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)-7-nitro-1h-indole-2-carboxamide
+CC(C)(C)c1cc(n(n1)c2ccc(c(c2)Cl)O)NC(=O)NCc3ccccc3Sc4ccc5nnc(n5c4)c6ccccc6SCCO	YIS	1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1h-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea
+CCC/C(=N\NC(=N)N)/c1ccc(cc1)NC(=O)c2cc3cc(ccc3[nH]2)OC	YIT	n-{4-[(1e)-n-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1h-indole-2-carboxamide
+CCCCNC=O	YIV	n-butylformamide
+CC(C)c1nnc2n1cc(cc2)Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C	YIW	1-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea
+CCNC(=O)NCc1ccccc1Sc2ccc3nnc(n3c2)C(C)C	YIX	1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea
+CC(C)(C)C1=C/C(=N\C(=O)Nc2ccc(cc2)Oc3cccnc3)/N(N1)c4cccc(c4)F	YIY	(1e)-1-[5-tert-butyl-2-(3-fluorophenyl)-1h-pyrazol-3-ylidene]-3-(4-pyridin-3-yloxyphenyl)urea
+Cc1cccc2c1[nH]c(c2)C(=O)NC3CCC(CC3)NC(=O)CCN	YJ1	n-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1h-indole-2-carboxamide
+c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)Br)C(=O)NC5(CC5)C=N)Cl	YJ2	(2s,4r)-1-[1-(4-bromophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4c3ccc(c4)OC	YJ4	4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+Cc1c2c(nc(nc2on1)C)N3CC(=O)Nc4c3ccc(c4)OC	YJ7	4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)I)C(=O)NC5(CC5)C=N)Cl	YJ8	(2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
+c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)C(F)(F)F)C(=O)NC5(CC5)C=N)Cl	YJ9	(2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
+CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO	YJA	2-[5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1h-pyrazol-3-yl]-n-(3-fluorophenyl)ethanamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)Cl)S(=O)(=O)c5ccccc5Cl	YJC	(4r)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-n-{1-[(e)-iminomethyl]cyclopropyl}-l-prolinamide
+CC(C)Oc1nc2ccccc2n1c3ccc(cc3)O	YJD	4-(2-propan-2-yloxybenzimidazol-1-yl)phenol
+Cc1ccc(cc1S(=O)(=O)NCCc2ccccn2)NC(=O)CN3C(=O)C(=CC=N3)Cl	YJG	2-(5-chloro-6-oxopyridazin-1(6h)-yl)-n-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide
+Cc1cc(cc(c1O)C#N)c2cn(c3c2C(=O)N(C=N3)C)CC(=O)Nc4cc(ncc4Cl)N5CCOCC5	YJJ	n-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O	YJM	2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose
+C[C@H]1COCCN1c2cc(c(cn2)Cl)NC(=O)Cn3cc(c4c3N=CN(C4=O)C)c5cc(c(c(c5)Cl)O)C(=O)N	YJS	3-chloro-5-{7-[2-({5-chloro-2-[(3s)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide
+Cc1c(c(no1)c2ccc(cc2O)O)c3ccccc3	YJW	4-(5-methyl-4-phenylisoxazol-3-yl)benzene-1,3-diol
+c1ccc2c(c1)C3=C(CCCN3C2=O)c4[nH]c5cnccc5n4	YJX	1-(3h-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2h)-one
+CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4c(cccc4F)C(F)(F)F)C(=O)N)OC	YK1	4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
+CCN1CCN(CC1)C(=O)c2ccc(nc2)Nc3ncc(c(n3)c4ccc5c(c4)sc(n5)N(C)C)F	YK2	[6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone
+CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4Br)C(=O)N)OC	YK4	4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
+CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4)C(=O)N)OC	YK7	4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
+CC(C)CCCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O	YK8	20alpha-hydroxy-20-(5-methylhexyl)cholesterol
+c1ccc2c(c1)-c3c(cccc3C2=O)c4[nH]c5ccncc5n4	YK9	4-(1h-imidazo[4,5-c]pyridin-2-yl)fluoren-9-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F	YKA	(1r,2s)-2-((s)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)CCC(=O)N)c4[nH]c5cnccc5n4	YKB	n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl]-succinamide
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccncc4)c5[nH]c6cnccc6n5	YKC	n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl-isonicotinamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F	YKD	(1s,2s)-2-((s)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid
+c1cc(c2cccnc2c1)C(=O)NC3=C4C=CC=CC4=C5C3=CC=CC5c6[nH]c7cnccc7n6	YKE	n-[(4r)-4-(3h-imidazo[4,5-c]pyridin-2-yl)-4h-fluoren-9-yl]quinoline-5-carboxamide
+Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O	YKG	[(5-bromo-7-methyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7cnccc7n6	YKI	1-h-pyrrolo[2,3-b]pyridine-4-carboxylic acid [4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl]-amide
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc(c4)N)c5[nH]c6cnccc6n5	YKJ	2-amino-n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)--9h-fluoren-9-yl]-isonicotinamide
+C[C@@H](C1CCC(CC1)(F)F)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YKM	(1r,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+Cc1ccnc(n1)SC(c2nc3ccccc3o2)(F)F	YKN	2-[difluoro-[(4-methyl-pyrimidinyl)-thio]methyl]-benzoxazole
+C[C@@H](C1CCC(CC1)(F)F)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YKP	(1s,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O)CO	YKR	2-amino-4-o-benzyl-2-deoxy-alpha-d-glucopyranose
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O[C@@H](Cc2ccccc2)C3CCC(CC3)(F)F	YKS	(1r,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O[C@@H](Cc2ccccc2)C3CCC(CC3)(F)F	YKV	(1s,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2F	YKY	(1r,2s)-2-((s)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid
+c1cc(ccc1c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O)C4CC4	YL2	({[6-(4-cyclopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)
+Cc1ccc(cc1)c2cc3c(ncnc3s2)NCP(=O)(O)O	YL3	({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](c4ccc5c(c4)CCO5)P(=O)(O)O	YL4	[(r)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O	YL5	[(1r)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid
+Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O	YL6	[(1r)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2F	YL7	(1s,2s)-2-((s)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid
+C#CCOC(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	YLA	 (s)-2-amino-6-(((prop-2-yn-1-yloxy)carbonyl)amino)hexanoic (((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)anhydride
+CCCC(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	YLB	5'-o-({[(2r)-2-amino-6-(butanoylamino)hexanoyl]oxy}phosphinato)adenosine
+C/C=C/C(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	YLC	5'-o-[({(2r)-2-amino-6-[(2e)-but-2-enoylamino]hexanoyl}oxy)phosphinato]adenosine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)F	YLD	(1r,2s)-2-((s)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+C[C@@H]1c2ccccc2CCN1	YLG	(1r)-1-methyl-1,2,3,4-tetrahydroisoquinoline
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)F	YLJ	(1s,2s)-2-((s)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O	YLL	(1r,2s,3s,4s,5r,6r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccc(cc2)F	YLM	(1r,2s)-2-((s)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4	YLO	1-[2-(4-methylphenoxy)ethyl]-2-(2-phenoxyethylsulfanyl)benzimidazole
+CCC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	YLP	(s)-2-amino-6-propionamidohexanoic(((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride
+Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCC(=O)O	YLQ	3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]sulfanylpropanoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCc2ccc(cc2)F	YLS	(1s,2s)-2-((s)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2c(c(c(c(c2F)F)F)F)F	YLV	(1r,2s)-1-hydroxy-2-((s)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl)propane-1-sulfonic acid
+C[C@@H]1CCN[C@@H]1C(=O)NCCCC[C@H](C(=O)O[P@](=O)(O)OC[C@H]2[C@@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	YLY	(2r)-2-amino-6-({[(2s,3r)-3-methylpyrrolidin-2-yl]carbonyl}amino)hexanoyl [(2s,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (r)-phosphate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2c(c(c(c(c2F)F)F)F)F	YM1	(1s,2s)-1-hydroxy-2-((s)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl)propane-1-sulfonic acid
+CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccncc3	YM2	1-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one
+CCOC(=O)c1cnc2c(c1N3CCO[C@H](C3)CN)cn[nH]2	YM3	ethyl 4-(2-(aminomethyl)morpholino)-1h-pyrazolo[3,4-b]pyridine-5-carboxylate
+Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5ccc(cc5)N6CCN(CC6)C)Br	YM4	6-bromo-7-{4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl}-2-[4-(4-methylpiperazin-1-yl)phenyl]-1h-imidazo[4,5-b]pyridine
+c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCO[C@H](C4)CN)CO	YM5	(3-{4-[(2s)-2-(aminomethyl)morpholin-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl)methanol
+c1cncc2c1c3c([nH]2)ncnc3[N@]4CCO[C@@H](C4)CN	YM6	1-[(2r)-4-(9h-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
+c1c(ncnc1Nc2cnc(cn2)C#N)NCC3CCNCC3	YM7	5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile
+C[C@H](CN(C)C)Oc1c(ncc(n1)Nc2cc3cccc(c3cn2)Cl)C#N	YM8	(r)-5-(8-chloroisoquinolin-3-ylamino)-3-(1-(dimethylamino)propan-2-yloxy)pyrazine-2-carbonitrile
+C(CS)NC(=O)CN(CCN(CCN(CC(=O)NCCS)CC(=O)O)CC(=O)O)CC(=O)O	YMA	7,10,13-tri(carboxymethyl)-5,15-dioxo-4,7,10,13,16-pentaaza-1,19-dithianonadecane
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)(C)C	YMD	(1r,2s)-2-((s)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)(C)C	YMG	(1s,2s)-2-((s)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YMJ	(1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+C[C@H](C[C@H](C)[C@@H]([C@@H](C)C(=O)C[P@H](=O)O)O)CO	YML	[(3r,4s,5s,7r)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctyl]phosphonic acid
+CCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YMM	(1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1cc(ccc1C[C@@H](C(=O)N[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O	YMP	o-(adenosine-5'-o-yl)-n-(l-tyrosyl)phosphoramidate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)c3ccccc3	YMS	(1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1r,4s)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)c3ccccc3	YMV	(1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1r,4s)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	YMX	entrectinib
+CCCC1CCC(CC1)COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YMY	(1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@H]([C@@H]3CCCCN3)O	YMZ	mefloquine
+CCCC1CCC(CC1)COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YN1	(1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OCc3ccc(nc3)N4CCNCC4	YN4	ethyl 4-[(2-cyanoethyl)sulfanyl]-6-{[6-(piperazin-1-yl)
+C[C@H]1CN(CCN1c2cc(c(c(n2)F)Cl)NC(=O)Cn3cc(c4c3N=C5CCCN5C4=O)c6cc(c(c(c6F)F)O)C(=O)N)C	YN7	5-{(5s)-1-[2-({3-chloro-6-[(2s)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1h-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide
+CN1C=Nc2c(c(cn2CC(=O)Nc3ccncc3Cl)c4ccc(c(c4)C#N)O)C1=O	YNA	n-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O	YNC	tetradec-13-ynoic acid - coa thioester
+CN1C=Nc2c(ccn2CC(=O)Nc3ccncc3Cl)C1=O	YND	n-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
+Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5	YNE	2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole
+Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3Cn4cnc(c-5ncnc45)N)C(=O)c6cc7c8c(c(c(c7[nH]6)OC)O)N(CC8)C(=O)c9cc1c2c(c(c(c1[nH]9)OC)O)N(CC2)C(=O)N	YNG	7-{7-[(1r)-1-{[(4p)-6-amino-3h-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carboxamide
+CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCCCCC(=O)O)C3CCCC3	YNJ	7-{[(2s)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1h-inden-5-yl]oxy}heptanoic acid
+CN[C@@H](Cc1ccc(cc1)O)C(=O)O	YNM	n-methyl-l-tyrosine
+C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)c3ccccc3)Cc4ccc(c(c4)Cl)OC	YNP	cryptophycin 1
+[H]/N=C(\N)/N1CCC(CC1)n2c(c(nn2)C)c3cccc(n3)Nc4cc(cc(c4)C)C	YNS	4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidine-1-carboximidamide
+C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC	YNU	eplerenone
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=CC(=O)CC[C@]34C)C/C=C\C[C@@H]5CC6=CC(=O)CC[C@@]6([C@@H]7[C@@H]5[C@@H]8CC[C@@H]([C@]8(CC7)C)O)C	YNV	17alpha-hydroxy-7alpha-[(2z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one
+COc1cc2cc([nH]c2c(c1OC)OC)C(=O)N3C[C@H](c4c3cc(c5c4cc([nH]5)C(=O)OC)O)Cn6cnc(c-7ncnc67)N	YNY	methyl (8r)-8-{[(4p)-6-amino-3h-purin-3-yl]methyl}-4-hydroxy-6-(5,6,7-trimethoxy-1h-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
+c1c(ccc(c1)S(=O)(=O)Nc2sccn2)/N=N/c3c(cc(c(c3)/N=N/c4ccc(cc4)S(=O)(=O)Nc5sccn5)N)N	YO1	4-(2-{2,4-diamino-5-[2-(4-{[(2e)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-n-[(2s)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide
+C[n+]1c2ccccc2oc1/C=C/C=C/3\C=CN(c4c3cccc4)C	YO3	yo3-biotin
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CP(=O)(O)O)O)O)O)O	YO5	(1r)-1,5-anhydro-1-(phosphonomethyl)-d-glucitol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O)O)O)O)N=C(NC2=O)N	YO7	[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2r,3s,4r,5r,6s)-6-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl dihydrogen diphosphate (non-preferred name)
+CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](CS)N)O	YOA	5'-{[(2r,3s)-3-amino-2-({2-[(n-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine
+CSC[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5	YOD	(1r,3s,5s,7s)-n-[(1r,4r)-4-aminocyclohexyl]-3-[(methylsulfanyl)methyl]-5-phenyladamantane-1-carboxamide
+c1cc(c(cc1C[C@@H](C(=O)O)N)F)O	YOF	3-fluorotyrosine
+CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO	YOG	1,3-dihydroxypropan-2-yl (9z)-octadec-9-enoate
+c1cc(ccc1c2cc(ccc2F)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N)Oc7c(nn[nH]7)C(=O)O	YOJ	5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1h-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1h-1,2,3-triazole-4-carboxylic acid
+c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@]35O2)CCC(=O)O	YOK	[[2,2'-[4-carboxyethyl-1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron
+c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@@]35O2)C(=O)O	YOL	[[2,2'-[4-carboxy-1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron
+c1ccc2c(c1)C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe]35O2	YOM	2,2'-[1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron
+C1=CNC(=O)C(=C1)C[C@@H](CO)N	YOP	3-[(2s)-2-amino-3-hydroxypropyl]pyridin-2(5h)-one
+COc1ccc(cc1c2ccnc3c2cc([nH]3)C4=CCN(CC4)C5CCC(CC5)CC(=O)O)F	YOS	[(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2h)-yl}cyclohexyl]acetic acid
+CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CCN(C)C)Cl	YOV	4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2h)-one
+CCCCCCCCCCCC[C@H]1O[C@H]2[C@@H]([C@@H](O[C@H]2O1)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	YOY	[[(2s,3as,5s,6r,6as)-2-dodecyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CC(C)(Cc1ccc2ccccc2c1)NC[C@H](COc3cccc(c3C#N)Cl)O	YP1	2-chloro-6-[(2r)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile
+C[C@H](c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F	YP4	n-[(1r)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
+c1ccnc(c1)c2csc(n2)NC(=O)COc3cccc(c3)F	YP6	2-(3-fluoranylphenoxy)-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide
+CCO[C@@H](Cc1ccc(cc1)OCCn2c3ccccc3c4c2cccc4)C(=O)O	YPA	(s)-3-(4-(2-carbazol-9-yl-ethoxy)-phenyl)-2-ethoxy-propionic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@H](C(=O)O)NC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC	YPC	s-[(2s)-3-(hexadecanoyloxy)-2-(tridecanoyloxy)propyl]-n-pentadecanoyl-d-cysteine
+c1cc2ccc(c3c2c4c1ccc(c4cc3)C#CCCO)C#CCCOP(=O)(O)O	YPE	4-[8-(4-hydroxybut-1-yn-1-yl)pyren-1-yl]but-3-yn-1-yl dihydrogen phosphate
+c1cc2ccc(cc2c3c1ccc(c3)C#CCCO)C#CCCOP(=O)(O)O	YPF	4-[6-(4-oxidanylbut-1-ynyl)phenanthren-3-yl]but-3-ynyl dihydrogen phosphate
+c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N	YPG	[3-[(3~{r},4~{r})-3-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-4-[(2~{s})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid
+c1ccc(cc1)NC(=O)Nc2ccc(cc2)CCNc3c4cc(oc4ncn3)c5ccc(cc5)OCCN6CCC(CC6)O	YPH	1-(4-{2-[(6-{4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea
+c1ccc(cc1)[C@]23CC4C[C@](C2)(CC(C4)(C3)C(=O)NC5CCC(CC5)N)c6ccccc6	YPM	(1s,3r,5s,7s)-n-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide
+c1cc(ncc1Cl)SCCO	YPN	2-[(5-chloro-2-pyridyl)sulfanyl]ethanol
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O	YPP	hydrolyzed piperacillin
+COc1ccc2c(c1)nc(cc2O[C@@H]3C[C@H](NC3)C(=O)O)c4ccccc4	YPR	(4r)-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-proline
+CCOC[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5	YPS	(1r,3s,5r,7r)-n-[(1r,4r)-4-aminocyclohexyl]-3-(ethoxymethyl)-5-phenyladamantane-1-carboxamide
+N[Pt+2](N)([I-])[I-]	YPT	cis-diamino(diiodo)platinum
+C[C@H](c1cc(ccc1C(=O)NC)F)Oc2c(ncc(n2)c3cccnc3OC)N	YPW	2-[(1r)-1-{[3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl]oxy}ethyl]-4-fluoro-n-methylbenzamide
+c1ccc(cc1)N/N=C\2/C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N	YPZ	3-[(3z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-l-alanine
+Cc1cnccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C	YQ7	(4r,10ap)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6h)-one
+C1[C@H](C=NC(=C1C(=O)O)C(=O)O)O	YQA	5-hydroxy,-4,5-dihydroquinolinate
+Cc1cc(ccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C)NS(=O)(=O)C	YQD	n-{4-[(4s,10ap)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide
+Cc1cc(ccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C)NS(=O)(=O)c5[nH]ccn5	YQG	n-{4-[(4s,10ap)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1h-imidazole-2-sulfonamide
+CN(C)CCCNc1nc2cc(c(cc2c(n1)N3CCC(C3)N(C)C)OC)OC	YQJ	n~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-n~1~,n~1~-dimethylpropane-1,3-diamine
+CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(c(c4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)CN5CCCC5)F	YQM	eravacycline
+C=S(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O	YQP	(2~{s})-2-azanyl-4-[[(2~{s},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{3}-sulfanyl]butanoic acid
+CCC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c3ccc(cc3)N4CC(C4)(CN5CCC(CC5)[C@@](CN6CCC6)(c7cccc(c7)F)[C@H]8CCC[C@@H]8NC(=O)OC)OC	YQV	methyl {(1s,2r)-2-[(1s)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1s,4s)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)(CN)O	YQY	[3-(aminomethyl)-3-oxidanyl-azetidin-1-yl]-[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]methanone
+CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cc4)c5csc6c5OC(=CC6=O)N7CCOCC7	YR0	7-cyclopentyl-n,n-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide
+c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3ccc(cc3)[N+](=O)[O-])c4ccc(c(c4)C(=O)O)O)O	YR1	2-hydroxy-5-[(5s)-3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1h-pyrrol-1-yl]benzoic acid
+CCC(CC)(c1ccc(c(c1)C)OC[C@H](CO)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O	YR3	(2s)-3-{4-[1-ethyl-1-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol
+CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)O[C@H](CCO)CO	YR4	(2r)-2-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}butane-1,4-diol
+CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCN(CC3)CCCF	YR7	2-(butylamino)-n-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide
+c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N	YRA	3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide
+c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)Cl	YRG	(2s)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-]	YRJ	3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-1-ium
+c1cc(ccc1CCO)O	YRL	4-(2-hydroxyethyl)phenol
+CC1(CN(CC[C@@]12C(=O)NC(=O)N2)c3cc(cc4n3cnc4)C(F)(F)F)C	YRM	(5s)-6,6-dimethyl-8-[(4s)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
+CC(C)(C)CCC1=C(NC(=O)NC1=O)C(=O)O	YRO	5-(3,3-dimethylbutyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@H](C1[C@H]2[C@@H]1CC(C2)n3cnc4c3cc(c(c4)F)F)C(=O)Nc5ccc(cc5)Cl	YRP	(2r)-n-(4-chlorophenyl)-2-[(1r,3s,5s,6r)-3-(5,6-difluoro-1h-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide
+C1CN[C@@H]([C@H]1O)COP(=O)(O)O	YRR	3-hydroxy-pyrrolidin-2-ylmethyl-monophosphate group
+c1cnn2c1nc(c3c2NCC3)N[C@H]4CCCNC4	YRZ	n-[(3s)-piperidin-3-yl]-7,8-dihydro-6h-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine
+c1cc(ccc1c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O)OC3CC3	YS1	[({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)
+C[C@H](CCCO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YS2	(1r,3r,7e,17beta)-17-[(2r)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+C[C@H](CCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YS3	(1r,3r,7e,17beta)-17-[(2r)-5-hydroxy-5-methylhexan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CC(C)Oc1ccc(cc1)c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O	YS4	[({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)
+CCCC[C@@H](CC(CC)(CC)O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YS5	(1r,3r,7e,17beta)-17-[(2r,3s)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+c1cnccc1NC(=S)N	YS6	1-pyridin-4-ylthiourea
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([C@H]([C@@](CO4)(C)O)NC)O)N)N)N)O	YS7	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-erythro-hexopyranoside
+CCCC[C@@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YS9	(1r,3r,7e,17beta)-17-[(2r,3s)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O	YSA	5'-o-[n-(l-tyrosyl)sulfamoyl]adenosine
+c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N)O	YSC	[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
+CCC(CC)(CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)O	YSD	(1r,3r,7e,17beta)-17-[(2r)-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YSE	(1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-ethyl-5-oxidanyl-pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O	YSG	5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2h-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1h,3h)-dione
+CC(C)(C)COc1ccc(cc1C#N)n2cc(cn2)C(=O)O	YSH	1-[3-cyano-4-(neopentyloxy)phenyl]-1h-pyrazole-4-carboxylic acid
+c1ccc(c(c1)COc2cc(cc(c2F)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)Cl	YSJ	5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+CCCCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YSL	(1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-(2-hydroxyethyl)nonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+c1cc(cc(c1)F)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	YSM	5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+c1cc(c2c(c1)[nH]nc2N)C#N	YSO	3-amino-1h-indazole-4-carbonitrile
+Cc1ccccc1COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	YSP	5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+CCCCC[C@](C)(/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O)O	YSS	15r-methyl-prostaglandin d2
+c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O	YSU	[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YSV	(1r,3r)-5-(2-((1r,3as,7ar,e)-1-((r)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4h-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol
+c1cc(c(cc1C#N)F)[C@H]2CCc3n2cnc3	YSY	4-[(4r,5r)-6,7-dihydro-5h-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile
+COc1cccc2c1CCC[C@@H]2CCCN3CCN(CC3)C4CCCCC4	YT1	pb28
+[Y+3]	YT3	yttrium (iii) ion
+COC(=O)[C@H](CS)NC(=O)OCc1ccccc1	YT4	methyl (2r)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate
+C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@@H](C(C)C)C(=O)[C@H]1[C@@H](C(=O)NC1=O)C)c2ccccc2	YT5	moiramide b
+c1ccc2c(c1)CN(C2=O)CC3CCN(CC3)CC(=O)c4ccc(cc4)F	YT7	roluperidone
+COc1cc2c(cc1O)cc([nH]2)C(=O)N3C[C@H](c4c3cc(c5c4cc([nH]5)C(=O)N6CCc7c6c(c(c8c7cc([nH]8)C(=O)SC)OC)O)O)Cn9cnc(c-1ncnc91)N	YTA	yatakemycin-adenine nucleobase adduct
+C1([C@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)N	YTB	(1r,2r,3s,4r,5r)-5-aminocyclopentane-1,2,3,4-tetrol
+COc1cc(cc(c1OC)OC)C[C@H]2[C@@H](COC2=O)Cc3ccc4c(c3)OCO4	YTC	(3~{s},4~{s})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
+CC(C)([C@H](c1ccccc1)O)NCc2ccc3c(c2)CCC(=O)N3C	YTD	6-({[(1s)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1h)-one
+CN(c1ccc(cc1)Cl)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc3c[nH]c4c3cc(cc4)O	YTG	n-(4-chlorophenyl)-nalpha-[(5-hydroxy-1h-indol-3-yl)acetyl]-n-methyl-l-phenylalaninamide
+C[C@@H]([C@@H](C(=O)O)N)OP(=O)(O)O	YTH	o-phosphono-l-allothreonine
+COCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N	YTJ	2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}benzonitrile
+c1ccc(cc1)CCOc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	YTM	5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione
+COc1cc(cc(c1OC)OC)C[C@@H]2[C@H](COC2=O)Cc3ccc4c(c3)OCO4	YTN	(3~{r},4~{r})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
+Cc1cc(ccc1O)C(=O)C	YTP	1-(4-hydroxy-3-methylphenyl)ethanone
+CC1=CC(=O)N(c2c1ccc(c2OC)OC)C	YTR	7,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one
+c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCN4CCNC(=O)C4)C5=CNC(=O)NC5=O	YTS	5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O	YTT	(3s,6s)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
+CC(C)(CCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O)O	YTV	5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)N2)O)O)O)O	YTW	(3~{a}~{r},4~{s},5~{s},6~{s},7~{r},7~{a}~{s})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{h}-benzo[d][1,2,3]oxathiazole-4,5,6-triol
+COc1cc(ccc1O)CC(=O)O	YTX	2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O	YTY	diethyl [(4-{(2s,3r)-4-[(2-ethylbutyl){4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+c1cc(ccc1N)S(=O)(=O)Nc2nccs2	YTZ	4-amino-n-(1,3-thiazol-2-yl)benzenesulfonamide
+c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCC(F)(F)F)C4=CNC(=O)NC4=O	YU4	5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)c2cn(cc2C(=O)NO)Cc3ccccc3Cl	YU7	1-[(2-chlorophenyl)methyl]-n-hydroxy-4-phenyl-1h-pyrrole-3-carboxamide
+c1cc(c(cc1Br)Br)Oc2ccc(c(c2Br)O)Br	YUG	2,6-dibromo-3-(2,4-dibromophenoxy)phenol
+CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(c4ccccc4n3)Oc5cccc(c5)Cl	YUI	1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione
+c1ccc(cc1)c2cn(cn2)c3cccc4c3ccnc4c5ccc(c(c5)NC6CCC(CC6)O)C(=O)N	YUK	2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1h-imidazol-1-yl)isoquinolin-1-yl]benzamide
+Cc1nc(cs1)COc2ccc(cc2)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c3ccc(cc3)[C@H](C)O)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5	YUM	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate
+CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	YUN	n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
+C[C@@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O	YUP	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate
+COc1ccc(cc1OC)/C=N/NC(=O)Cc2cccc3c2cccc3	YUS	n'-[(e)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1	YUV	(25r)-14beta,17beta-spirost-5-en-3beta-ol
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCC[C@H](CO)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1	YUY	(2r)-2-(hydroxymethyl)-4-{[(25r)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+c1cc2c(cc1C(=O)N3C[C@H]4CCN(CC[C@H]4C3)C(=O)OCc5cc(cc(c5)Cl)Cl)nn[nH]2	YV1	(3,5-dichlorophenyl)methyl (3ar,8as)-2-(1h-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1h)-carboxylate
+C1CNC(=O)[C@H]1N	YV4	(3s)-3-aminopyrrolidin-2-one
+CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O	YVN	n-({(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-l-valyl-l-aspartamide
+c1ccc2c(c1)c(c[nH]2)c3cnc4n3cc(nc4)c5c[nH]nc5	YVQ	3-(1h-indol-3-yl)-6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine
+C[C@H]1CCC(=O)O1	YVR	gamma-valerolactone
+c1cc(ccc1COC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F	YVS	[4-(trifluoromethoxy)phenyl]methyl (3ar,6as)-5-(1h-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1h)-carboxylate
+Cc1c(c(on1)C)c2cc3c4ccc(cc4n(c3c(c2)C(=O)N)CC5CC5)C(=O)N6C[C@H](O[C@H](C6)C)C	YW1	9-(cyclopropylmethyl)-7-[(2r,6s)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9h-carbazole-1-carboxamide
+C[C@]12CCC/C(=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2C#CC#C[C@H](C45CC6CC(C4)CC(C6)C5)O	YW2	(1r,3r,7e,17beta)-17-{(5s)-5-hydroxy-5-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)Cc5ccccc5)C(C)(C)O)C(=O)N	YW4	9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9h-carbazole-4-carboxamide
+Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)C(=O)N	YW7	2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(s)-(oxan-4-yl)(phenyl)methyl]-9h-carbazole-4-carboxamide
+Cc1c(n(nn1)C)c2cc3c(c4ccc(cc4n3[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)nc2	YWA	2-{3-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-5-[(s)-(oxan-4-yl)(phenyl)methyl]-5h-pyrido[3,2-b]indol-7-yl}propan-2-ol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C)NC(=O)c2cc3c([nH]2)cccc3OC	YWJ	4-methoxy-n-[(2s)-4-methyl-1-oxo-1-({(2s)-3-oxo-1-[(3s)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1h-indole-2-carboxamide
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc(cc2)[C@H](C)O)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC	YWM	diethyl [(4-{(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate
+CCCCCN1[C@@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC	YWN	2-[(2r,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide
+Cc1ccc(c(c1)Oc2ccc(cc2)C[C@H](C(=O)N)N)[N+](=O)[O-]	YWO	o-(5-methyl-2-nitrophenyl)-d-tyrosinamide
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc(cc2)[C@@H](C)O)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC	YWP	diethyl [(4-{(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1r)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O	YWS	diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}[(2s)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
+Cc1c(n(nn1)C)c2cc3c(cc2F)c4c(n3[C@H](c5ccccc5)C6CCOCC6)cc(cn4)C(C)(C)O	YWY	2-{(7p)-7-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-8-fluoro-5-[(s)-(oxan-4-yl)(phenyl)methyl]-5h-pyrido[3,2-b]indol-3-yl}propan-2-ol
+C#CCOCCOCCOCCOCCOc1ccc(cc1)c2ccc(cc2)OS(=O)(=O)F	YWZ	4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCC2=C/C(=C(/C)\O)/NO2)O)O)O	YX0	[(3e)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-l-fucopyranoside
+CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)NO	YX1	2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-d-glucopyranose
+Cc1c(n(nn1)C)c2cc3c(c4ccc(c(c4n3[C@H](c5c(cccn5)F)C6CCOCC6)F)C(C)(C)O)nc2	YX4	2-{3-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-6-fluoro-5-[(s)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5h-pyrido[3,2-b]indol-7-yl}propan-2-ol
+Cc1c(cc(o1)Cn2ccc3c2cc(cc3)Br)C(=O)O	YXA	5-[(6-bromo-1h-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid
+CC(C)([C@H]1CCN(C1)c2cc(c(nc2)C(F)(F)F)NC(=O)c3cccc(n3)c4cnn(c4)C)O	YXD	n-{5-[(3s)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1h-pyrazol-4-yl)pyridine-2-carboxamide
+C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3c(cnn3C(F)F)NC1=O)N4C=NC(=CC4=O)c5cc(ccc5n6cc(nn6)Cl)Cl	YXG	milvexian
+c1ccc(cc1)P(CCCCC(=O)N[C@H](CO)[C@@H](c2ccc(cc2)[N+](=O)[O-])O)(c3ccccc3)c4ccccc4	YXM	n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide
+COc1ccc(cc1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)O	YXP	{(5z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid
+C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	YXR	(2r)-sulfonatepropionyl-coa
+C[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	YXS	(2s)-sulfonatepropionyl-coa
+C1CC(=O)N(C1=O)CCCCCN2C3=[N](C=CC=C3)[Ru]([N]4=CC=CC=C42)Cl	YXX	chloro(1-{5-[di(pyridin-2-yl-kappan)amino]pentyl}pyrrolidine-2,5-dione)ruthenium
+C1=CC=[N]2C(=C1)N(C3=[N]([Ru]2Cl)C=CC=C3)CCCCCN	YXZ	chloro[n,n-di(pyridin-2-yl-kappan)pentane-1,5-diamine]ruthenium
+Cc1[nH]c(nn1)S	YY1	5-methyl-4h-1,2,4-triazole-3-thiol
+CC(C)(C)NC(=O)COc1c(cc(cc1Cl)CN)OC	YY2	2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-n-tert-butylacetamide
+Cn1cc(c2c1cccc2)c3ccnc(n3)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C	YY3	n-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
+CN(C)C/C=C/C(=O)N1CC[C@@H](C1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl	YY4	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CC(C)Nc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)[C@H]4CCN(C4)C(=O)/C=C/CN(C)C	YY5	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CN(C)C/C=C/C(=O)N1CC[C@@H](C1)N2c3c(cnc(n3)NC4CCCCC4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl	YY6	7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)[C@H]4CCN(C4)C(=O)/C=C/CN(C)C	YY7	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CN(C)C/C=C/C(=O)N1CCC(CC1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl	YY9	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+C[C@H](C/C=C\C=C)[C@H]([C@@H](C(=O)O)NC)O	YYA	2,4,5-trideoxy-2-(methylamino)-4-[(2z)-penta-2,4-dien-1-yl]-l-xylonic acid
+CO[C@@H]1[C@H](CO[C@@H]([C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O	YYB	1,5-anhydro-3-o-methyl-2,6-di-o-sulfo-d-glucitol
+Cc1c(n2c(n1)N(c3c(ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C2=O)C)CC[C@@H](C(=O)OC)NC(=O)OC	YYG	4-(3-[5-o-phosphonoribofuranosyl]-4,6-dimethyl-8-oxo-4,8-dihydro-3h-1,3,4,5,7a-pentaaza-s-indacen-ylamino-butyric acid methyl ester
+C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O	YYH	7-deoxy-l-glycero-alpha-d-manno-heptopyranose
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	YYJ	1,3,4,6-tetra-o-sulfo-beta-d-fructofuranose
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	YYK	beta-d-quinovopyranose
+C1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O	YYM	alpha-d-ribopyranose
+CC(=O)N[C@H]1[C@@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O	YYQ	2-acetamido-2-deoxy-alpha-l-galactopyranose
+CC(=O)N[C@@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO	YYR	2-(acetylamino)-1,5-anhydro-2-deoxy-d-mannitol
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O)O	YYY	deoxycytidine diphosphate
+c1c(cc(c(c1Cl)O)Cl)/C=C/C(=O)O	YYZ	(2e)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid
+CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	YZ0	methyl beta-d-mannopyranoside
+CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC[C@H](c1ccccc1)c2ccco2)OC)O)O)O	YZ6	(e,2r,3r,4s,5r)-n-[(3r)-3-(furan-2-yl)-3-phenyl-propyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide
+CCOC(=O)C1=Cc2ccc(cc2OC1=O)O	YZ9	7-hydroxy-2-oxo-chromene-3-carboxylic acid ethyl ester
+C=CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O	YZE	n~2~-{[(1s)-1-carboxybut-3-en-1-yl]carbamoyl}-n~6~-[(4-iodophenyl)carbonyl]-l-lysine
+c1ccc(cc1)C(=O)NC(=O)N	YZM	n-carbamoylbenzamide
+C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	YZS	(2s)-sulfonatepropionyl-amino(dethia)-coa
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)S(=O)(=O)O	YZT	6-deoxy-6-sulfo-beta-d-glucopyranose
+CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC	YZY	(2s)-2-(hexadecanoyloxy)-3-hydroxypropyl (9z)-octadec-9-enoate
+C1[C@@H]([C@H](O[C@H]1N2C=CC=NC2=O)COP(=O)(O)O)O	Z	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)pyrimidin-2(1h)-one
+CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNc3c(cc(cn3)C(F)(F)F)Cl	Z00	4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-n-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
+CC(C)(C)C(=O)NC[C@@H](C(=O)O)N	Z01	3-[(2,2-dimethylpropanoyl)amino]-l-alanine
+c1ccnc(c1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]	Z02	5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide
+c1c(c(cc(c1[N+](=O)[O-])N2CCOCC2)NCc3cnc(nc3)N)C(=O)N	Z04	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide
+[B-](c1cc(cc(c1)NC(=O)C)C(=O)O)(O)(O)O	Z06	(3-acetamido-5-carboxy-phenyl)-trihydroxy-boron
+c1cc(c2c(c1)sc(n2)N)C(F)(F)F	Z07	4-(trifluoromethyl)-1,3-benzothiazol-2-amine
+CC(=O)CC[C@H](C[C@@H]1CCNC1=O)N	Z0A	(3s)-3-[(2r)-2-amino-5-oxohexyl]pyrrolidin-2-one
+c1cncc2c1cnc3c2ccs3	Z0B	thieno[2,3-c][2,6]naphthyridine
+C([C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	Z0F	alpha-l-idopyranose
+c1ccc(cc1)CCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)NC(=O)CCS	Z0M	n-[(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide
+CC(C)(C)NC(=O)Nc1ccc2c(c1)nccn2	Z0O	1-(tert-butyl)-3-(quinoxalin-6-yl)urea
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC	Z0P	(2s)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11z)-octadec-11-enoate
+c1ccc2c(c1)c3c([nH]2)cncn3	Z0W	5h-pyrimido[5,4-b]indole
+[B-]([C@@H](C)NC(=O)c1c(cccc1F)c2ccccc2)(O)(O)O	Z10	[(1s)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron
+c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4ccc(cc4Cl)Cl)Cl	Z12	2,4-dichloro-n-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide
+c1cc(ccc1CN=Cc2ccc(cc2)C(F)(F)F)C(F)(F)F	Z13	(e)-n-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
+c1c(c(cc(c1[N+](=O)[O-])N2CCC(CC2)N)NCc3cnc(nc3)N)C(=O)N	Z14	4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide
+c1c(c(cc(c1O)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	Z15	(1s)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-d-glucitol
+c1c(cc(c(c1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)Cl)O	Z16	(1s)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-d-glucitol
+C[C@H](CC(=O)O)C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C	Z17	(3r)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid
+CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CN(C)C)C)C)C	Z18	(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl n,n-dimethylglycinate
+c1ccc2c(c1)c(n[nH]2)C(=O)NN	Z19	1h-indazole-3-carbohydrazide
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NS(=O)(=O)C2CC2)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)OC(C)(C)C	Z1B	n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-n-{(2s)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-prolinamide
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C(F)F)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C	Z1E	n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-n-[(1r,2r)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-l-prolinamide
+c1ccc(c(c1)/N=C\2/NC(=O)/C(=C/c3ccc(c(c3)[N+](=O)[O-])O)/S2)Cl	Z20	(2z,5z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one
+CCn1c2cc(ncc2nc1c3c(non3)N)Br	Z21	4-(6-bromo-1-ethyl-1h-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
+CSS(=O)(=O)C	Z22	s-methyl methanesulfonothioate
+Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C(=[NH2+])N)F	Z23	di[benzamidin-3-yloxy]-3,5-difluoro-4-methyl-pyridine
+c1cc(c(cc1F)F)N2C[C@@H](C[C@H]2O)C(=O)O	Z24	(3~{r},5~{r})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid
+C(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N	Z25	3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
+COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl	Z26	2-(5-chloro-2-methoxyphenyl)-n-(isoquinolin-4-yl)acetamide
+c1cc(c(cc1C(F)(F)F)Cl)S(=O)(=O)Nc2ccc(c(c2)Cl)Sc3nc4cc(ccc4s3)Cl	Z27	2-chloro-n-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide
+C([C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O	Z2D	alpha-l-allopyranose
+c1cc(oc1)c2ccnc3c2c(n[nH]3)C4CC4	Z2M	3-cyclopropyl-4-(furan-2-yl)-1h-pyrazolo[3,4-b]pyridine
+COc1cc(c(c(c1)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	Z2T	(1s)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-d-glucitol
+C[C@H]1C[C@@](C[C@H](C1=O)[C@@H](CC2CC(=O)NC(=O)C2)O)(C)NC(=O)c3ccccc3	Z2V	n-[(1r,3s,4r,5s)-3-{(1r)-2-[(2r,4r,6s)-2,6-dihydroxypiperidin-4-yl]-1-hydroxyethyl}-4-hydroxy-1,5-dimethylcyclohexyl]benzamide
+CC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1	Z30	(5r)-5-tert-butyl-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide
+C=CCNc1nc(c(s1)C(=O)c2ccc3ccccc3c2)N	Z31	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone
+[H]/N=C(\c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)C4=NCCN4C)F)N(C)CC(=O)O)F)O)/N	Z34	n-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-3,5-difluoro-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy]pyridin-4-yl]-n-methylglycine
+C[C@H]([C@@H](CO)Nc1c2cc(cn2ncc1C(=O)N)c3ccccc3)O	Z3A	4-{[(2r,3r)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
+C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	Z3D	(1r,2r,3s,4s,6r)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-d-glucopyranoside
+C[C@H]([C@@H](C(=O)O)N)OCc1ccccc1	Z3E	o-benzyl-l-threonine
+CNC(=O)c1c2c(ccc(c2CN3CCC4(C3)COC4)O)oc1c5ccc(cc5)O	Z3J	5-hydroxy-2-(4-hydroxyphenyl)-n-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide
+CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)OC(=O)C)OC(=O)C)O	Z3K	(1s)-2,3,6-tri-o-acetyl-1,5-anhydro-1-sulfamoyl-d-glucitol
+CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OC(=O)C)OC(=O)C)OC(=O)C	Z3L	2,3,4,6-tetra-o-acetyl-beta-d-galactopyranose
+C(CP(=O)(CCC(=O)O)CCC(=O)O)C(=O)O	Z3P	3,3',3''-phosphoryltripropanoic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN=[N+]=[N-])CO)O)O	Z3Q	2-azidoethyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
+c1ccc2c(c1)nc(s2)c3cc(sc3)S(=O)(=O)N	Z3R	4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)O	Z3U	beta-d-digitoxopyranose
+CCNCCS	Z3V	2-(ethylamino)ethane-1-thiol
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC	Z41	(2s)-3-hydroxypropane-1,2-diyl dihexadecanoate
+CCC[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1	Z46	(5r)-5-propyl-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide
+c1ccc2c(c1)cccc2CCC[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	Z47	(2r,3s,4r,5s,6r)-2-(hydroxymethyl)-6-[3-(naphthalen-1-yl)propyl]oxane-3,4,5-triol
+Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4	Z48	n-[(1s)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1h-pyrrole-2-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)O)O	Z4K	2-o-sulfo-alpha-d-glucopyranose
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)S)O	Z4R	methyl 3-thio-alpha-d-mannopyranoside
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O)O	Z4S	1,6-anhydro-n-acetyl-beta-d-glucopyranosamine
+CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)S)O)O	Z4U	methyl 4-thio-alpha-d-xylopyranoside
+C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)S	Z4V	4-thio-beta-l-ribopyranose
+C1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O	Z4W	beta-d-lyxopyranose
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S	Z4Y	6-thio-alpha-d-mannopyranose
+c1c(c(cc(c1O)Br)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	Z57	(1s)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-d-glucitol
+c1ccc(cc1)[C@H]2CCCN2C(=O)[C@@H]([C@H](C(=O)NCc3cccs3)O)O	Z59	(2r,3r)-2,3-dihydroxy-4-oxo-4-[(2r)-2-phenylpyrrolidin-1-yl]-n-(thiophen-2-ylmethyl)butanamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-]	Z5A	p1-(5'-adenosyl)p5-(5'-(3'azido-3'-deoxythymidyl))pentaphosphate
+c1ccc(cc1)c2ccc(cc2)c3csc(n3)N/N=C(\Cc4ccccc4[N+](=O)[O-])/C(=O)O	Z5D	(2e)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
+c1cc(ccc1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)Cl	Z5G	2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
+C[C@H]1[C@@H]([C@H](CC(O1)O)O)O	Z5J	beta-l-olivopyranose
+CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F	Z5K	n-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S	Z5L	methyl 2-thio-alpha-d-mannopyranoside
+c1ccc(c(c1)CN)n2cccn2	Z5P	1-[2-(1h-pyrazol-1-yl)phenyl]methanamine
+C[C@@H](c1c(ccc(c1F)Cl)Cl)Oc2ccc3ccc(c(c3c2)C4CC4)/C=C/C(=O)O	Z5Y	(2e)-3-{1-cyclopropyl-7-[(1s)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid
+C=CCNc1nc(c(s1)C(=O)c2ccc(s2)Cl)N	Z60	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	Z61	2-deoxy-alpha-d-arabino-hexopyranose
+C=CCNc1nc(c(s1)C(=O)c2cccc(c2)[N+](=O)[O-])N	Z62	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
+C=CCNc1nc(c(s1)C(=O)c2ccncc2)N	Z63	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone
+Cc1c(c([nH]n1)c2ccco2)CCCCN(C)c3c4c(nc[nH]4)ncn3	Z64	n-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
+c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)F	Z67	4-amino-n-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
+c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC3CCCCC3)N	Z68	[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
+CCCCCCCCCCCCCCC[C@H](O)OC[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@H]([C@H]([C@@H]2O[P@](=O)(O)OC[C@@H](CO[C@@H](CCCCCCCC[C@@H](C)CCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCCC)O)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O)O)O)O	Z69	(1s,2r,3r,4s,5r,6s)-2-(alpha-l-allopyranosyloxy)-3,4,5-trihydroxy-6-({6-o-[(1r)-1-hydroxyhexadecyl]-beta-l-gulopyranosyl}oxy)cyclohexyl (2r)-2-{[(1s)-1-hydroxyhexadecyl]oxy}-3-{[(1s,10s)-1-hydroxy-10-methyloctadecyl]oxy}propyl hydrogen (r)-phosphate
+C([C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	Z6H	alpha-l-altropyranose
+C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O	Z6J	alpha-l-ribofuranose
+Cc1cc(ccc1c2cc(c(nc2)N)C(=O)NC3CC3)NC(=O)[C@@H](c4cc(cc(c4)F)F)O	Z6P	2-amino-n-cyclopropyl-5-(4-{[(2r)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide
+Cc1c(ccc(n1)C2=CN=C(N(C2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C	Z6V	vimseltinib
+CCCCCCCC(C[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O	Z6W	(5r)-5-[(2r)-2-hydroxynonyl]-beta-d-xylulofuranose
+CCCCCCCCCCCC(=O)CC(=O)O	Z6X	3-oxotetradecanoic acid
+c1c([nH]c(n1)N)CC[C@@H](C(=O)O)N	Z70	(2s)-2-amino-4-(2-amino-1h-imidazol-5-yl)butanoic acid
+c1cc(ccc1Nc2nc(c(s2)C(=O)Nc3cc(cc(c3)F)F)N)S(=O)(=O)N	Z71	4-amino-n-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
+COc1ccc2c(c1OC3CCCC3)OC(=O)C=C2Nc4c(cncc4Cl)Cl	Z72	8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2h-chromen-2-one
+CCCc1nc(c2n1c3c(ccc(n3)OC)nc2C)C	Z73	2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)S(=O)(=O)c4ccccc4)O)C	Z74	n'-{(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)Cc4ccccc4)O)C	Z75	n'-[(1s,2s)-2-[(2r)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+Cc1cccc(c1)S(=O)(=O)[N@]2CCN[C@H](C2)[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCC[C@@H]5COC)C)O	Z76	n-[(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2r)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2r)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
+Cc1cc2c(cc1C)NC(=O)C(=C2)CN(CCO)C(=S)Nc3cccc(c3)OC	Z77	1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea
+Cc1ccc2c(c1)C=C(C(=O)N2)CN(CCO)C(=O)Nc3ccccc3F	Z78	3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea
+COc1ccc(cc1)S(=O)(=O)NCC(=O)NO	Z79	n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
+c1ccc(cc1)COc2ccc(cc2)C3(CCCC3)S(=O)(=O)c4ccc(cc4)F	Z7D	1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
+c1cc(c(c(c1)Cl)COc2ccc3c(c2)CC[C@@H]4[C@]3(CCN4C(=O)C5CCC(CC5)C(=O)O)S(=O)(=O)c6ccc(cc6)F)F	Z7F	trans-4-{(3ar,9br)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid
+CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)CO)Cl	Z7G	{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
+CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)NC(=O)Cc3cccnc3)Cl	Z7H	n-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide
+CC(C)c1cc(cnc1OC)Oc2c(cc(cc2Cl)NC(=O)CC3CCN(CC3)S(=O)(=O)C)Cl	Z7I	n-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O	Z7P	(2r,3r,4s,5s,6r)-3,4-dihydroxy-5-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+CC(=O)N[C@H]1[C@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO	Z7S	n-[(2s,3s,4r,5r,6r)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
+c1ccc(cc1)c2ccc(cc2)C(=O)O	Z7Z	biphenyl-4-carboxylic acid
+CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl	Z80	3-(2-chloro-10h-phenothiazin-10-yl)-n,n-dimethylpropan-1-amine
+CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cc(ccc4F)F	Z81	(5s)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4h-imidazol-4-one
+c1cc(ccc1C(=O)O)Br	Z82	4-bromobenzoic acid
+CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nccs3	Z83	(4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1h-pyrazol-1-yl}phenyl)acetic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccncc4	Z84	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccccc4	Z85	1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nc(cs3)CCOCc4ccccc4	Z86	(4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1h-pyrazol-1-yl}phenyl)acetic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nccs3	Z87	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea
+CC(=O)NS(=O)(=O)c1ccc(cc1)Br	Z88	n-[(4-bromophenyl)sulfonyl]acetamide
+c1cc2c(cc1Br)/C(=C/3\C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=O)N2	Z89	(2r)-2-[(5z)-5-(5-bromo-2-oxo-1,2-dihydro-3h-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N	Z8B	5'-azido-8-bromo-5'-deoxyadenosine
+CC(C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(c3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O	Z8G	n-[(3r,3as,9bs)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide
+C([C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O	Z8H	beta-l-gulopyranose
+CC(C)(CN1[C@@H](C[C@H](C1=O)F)C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)O	Z8I	(3r,5s)-3-fluoro-5-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one
+CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O	Z8R	3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid
+C([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O	Z8T	beta-l-glucopyranose
+CC(=O)N[C@H]1[C@@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO	Z8V	n-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cnco3)Cc4ccccc4	Z8Z	n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2r,5r)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-l-valinamide
+c1ccc(cc1)CCc2ccc(cc2)COc3ccccc3CC[N@@](CCCCC(=O)O)Cc4ccc(cc4)C(=O)O	Z90	4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid
+COc1ccc(cc1OC)C\2=NNC(=O)/C2=N/Nc3ccc(cc3)Cl	Z92	(4e)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3h-pyrazol-3-one
+COc1ccc2c(c1)C(=O)[N+](=C2)C[C@@]3(C(=O)NC(=O)N3)c4ccc(cc4)c5cccnc5	Z93	2-{[(4r)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1h-isoindolium
+CC(=O)Nc1ccc(cc1)[C@H]2C(=O)NC(=O)N2	Z94	n-{4-[(4s)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide
+CC(C)(C)OC(=O)N1CCN(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)[C@H](c5cncn5C)O)Cl	Z96	tert-butyl 4-{(11s)-8-chloro-6-[(r)-hydroxy(1-methyl-1h-imidazol-5-yl)methyl]-11h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCC[C@@H](C(=O)O)N)O	Z97	(e)-n~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-ornithine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\CC[C@@H](C(=O)O)N)O	Z98	(2s)-2-amino-4-{[(1z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid
+c1ccc2c(c1)C(c3ccccc3O2)C[C@]([C@H]4C[C@@H]4C(=O)O)(C(=O)O)N	Z99	2-[(1s,2s)-2-carboxycyclopropyl]-3-(9h-xanthen-9-yl)-d-alanine
+C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO	Z9D	4-deoxy-beta-d-xylo-hexopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)O)O	Z9E	1-thio-alpha-d-glucopyranose
+CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O)COS(=O)(=O)O	Z9H	3,4-di-o-methyl-2,6-di-o-sulfo-alpha-d-glucopyranose
+CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O	Z9K	3-o-methyl-2-o-sulfo-alpha-l-idopyranuronic acid
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O	Z9L	methyl 2,3,6-tri-o-sulfo-alpha-d-glucopyranoside
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O	Z9M	2-amino-2-deoxy-4-o-phosphono-beta-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)O	Z9N	alpha-d-fructofuranose
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)O	Z9W	2-acetamido-2-deoxy-beta-d-quinovopyranose
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc4	Z9Z	pyridin-3-ylmethyl [(2r,5s)-5-{[n-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-d-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+[B-](CNC(=O)c1ccccc1Cl)(O)(O)O	ZA2	[(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron
+[B-](CNC(=O)c1ccccc1[N+](=O)[O-])(O)(O)O	ZA3	trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron
+[B-](CNC(=O)c1ccccc1F)(O)(O)O	ZA4	[(2-fluorophenyl)carbonylamino]methyl-trihydroxy-boron
+[B-](CNC(=O)c1c(cccc1F)F)(O)(O)O	ZA5	[(2,6-difluorophenyl)carbonylamino]methyl-trihydroxy-boron
+Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)Cc4c(nn(n4)c5ccccc5)CC(=O)O	ZAA	(5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid
+c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O	ZAB	(3-{(z)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid
+c1nc(c2c(n1)n(cn2)C[C@@H](COP(=O)(O)O)O)N	ZAD	(s)-1'-(2',3'-dihydroxypropyl)-adenine
+CN[C@H](Cc1ccccc1)C(=O)O	ZAE	n-methyl-d-phenylalanine
+C[C@@H](C(=O)N[C@@H](C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2	ZAF	o-(((1r)-((n-phenylmethoxycarbonyl-l-alanyl)amino)ethyl)hydroxyphosphono)-l-benzylacetic acid
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc2ccccc2	ZAH	n-[(benzyloxy)carbonyl]-l-alanyl-l-proline
+C1CCC(CC1)C[C@H](C(=O)O)N	ZAL	3-cyclohexyl-d-alanine
+CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C	ZAM	3-[(acetyl-methyl-amino)-methyl]-4-amino-n-methyl-n-(1-methyl-1h-indol-2-ylmethyl)-benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O)N	ZAN	5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
+[H]/N=C(\c1ccc(cc1)[C@H](NC(=O)OCc2ccccc2)P(=O)(O)O)/N	ZAP	[n-(benzyloxycarbonyl)amino](4-amidinophenyl)methane-phosphonate
+COc1cc(ccc1OC(F)F)C2=NNC(=O)C=C2	ZAR	6-(4-difluoromethoxy-3-methoxy-phenyl)-2h-pyridazin-3-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N]=N)O)O)N	ZAS	5'-azido-5'-deoxyadenosine
+[H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/[H])/N)/C	ZAT	4,4'-diacetyldiphenylurea-bis(guanylhydrazone)
+c1cc(cnc1)C(=O)c2cccnc2	ZAW	di(pyridin-3-yl)methanone
+C1CCC(CC1)CCCCCO	ZAZ	5-cyclohexylpentan-1-ol
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)CO)O	ZB0	2,3-di-o-methyl-alpha-d-glucopyranose
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O	ZB1	3-o-methyl-alpha-d-glucopyranose
+CO[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	ZB2	2-o-methyl-alpha-d-glucopyranose
+COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)O)O	ZB3	2,6-di-o-methyl-alpha-d-glucopyranose
+COc1ccccc1N2CCN(CC2)[C@H]3CCCC[C@@H]3NS(=O)(=O)c4ccccc4	ZB4	n-{(1s,2s)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
+C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(=O)O	ZB6	(2r,6r)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
+CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C	ZBA	12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate
+C1=C(C(=NC(=O)N1C[C@@H](COP(=O)(O)O)O)N)Br	ZBC	(2s)-3-(4-amino-5-bromo-2-oxopyrimidin-1(2h)-yl)-2-hydroxypropyl dihydrogen phosphate
+C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=O)=O)Cc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O	ZBD	4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3h)-yl}-n-[(2r)-4-hydroxybutan-2-yl]-n-methylbutanamide
+C#Cc1cccc(c1)N(C(=O)CC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O	ZBF	l-gamma-glutamyl-n-(3-ethynylphenyl)-n-hydroxy-l-glutaminylglycine
+c1c(cc(cc1CBr)CBr)CBr	ZBR	1,3,5-tris(bromomethyl)benzene
+c1ccc(cc1)CC(=O)Nc2nnc(s2)[C@H]3CCC[C@@H](C3)c4nnc(s4)NC(=O)Cc5ccccc5	ZBS	2-phenyl-~{n}-[5-[(1~{s},3~{s})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide
+CC[C@H](C)C1=NCCS1	ZBT	2-[(1s)-1-methylpropyl]-4,5-dihydro-1,3-thiazole
+C1=C(C(=O)NC(=O)N1C[C@@H](COP(=O)(O)O)O)Br	ZBU	(s)-1'-(2',3'-dihydroxypropyl)-5-bromo-uracil
+c1ccc(cc1)C(=O)SC[C@@H](C(=O)O)N	ZBZ	s-(phenylcarbonyl)-l-cysteine
+c1conc1NC[C@H]2CN(C(=O)O2)c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F	ZC0	contezolid
+CC(=O)Nc1nc2cc(ccc2s1)F	ZC3	n-(5-fluoranyl-1,3-benzothiazol-2-yl)ethanamide
+C([C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O	ZCD	alpha-d-idopyranose
+c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl	ZCL	3,4-dichloro-l-phenylalanine
+[Cm+3]	ZCM	curium ion
+c1cc(cc(c1)O)[N+](=O)[O-]	ZCQ	3-nitrophenol
+C[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)c3c(cc(c(c3C2=O)O)c4cc(c5c(c4O)C(=O)C6=C(C5=O)C[C@H](O[C@@H]6C)CC(=O)O)O)O	ZCT	2,2'-[(1r,1'r,3s,3's)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1h,1'h-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid
+c1ccc2c(c1)c(c[nH]2)CCO	ZCW	2-(1h-indol-3-yl)ethanol
+C1=CN(C(=O)N=C1N)C[C@@H](COP(=O)(O)O)O	ZCY	(s)-1'-(2',3'-dihydroxypropyl)-cytosine
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)OC)O)NC(=O)[C@@H](CCO)O	ZCZ	4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-2-o-methyl-alpha-d-mannopyranose
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)NC(=O)[C@@H](CCO)O	ZD0	methyl 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-alpha-d-mannopyranoside
+C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	ZD1	(1r,4s,5s,6r)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-d-glucopyranoside
+c1nc(c2c(n1)n(cn2)CC[C@@H](C(=O)O)O)N	ZD2	(2s)-4-(6-amino-9h-purin-9-yl)-2-hydroxybutanoic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)Cl)N	ZD4	2-chloroadenosine 5'-(trihydrogen diphosphate)
+CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br	ZD6	vandetanib
+CCc1cc2c(c(n1)CC)CCC(=O)N2Cc3ccc(cc3)c4ccccc4c5[nH]nnn5	ZD7	5,7-diethyl-1-{[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1h)-one
+CC#CNCc1cc2c(cc1C)N=C(NC2=O)C	ZD9	2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3h)-one
+C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	ZDA	2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate)
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O	ZDC	3,7-anhydro-2,8-dideoxy-l-glycero-d-gluco-octonic acid
+Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)C#CCCO[N+](=O)[O-]	ZDG	4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate
+Cc1cc(ccc1O)C[C@@H](C(=O)O)N	ZDJ	3-methyl-l-tyrosine
+CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	ZDM	nonyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O	ZDO	methyl 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranoside
+C[C@](CCC[C@@H](C(=O)O)N)(C(=O)O)N	ZDP	(2s,6s)-2,6-diamino-2-methylheptanedioic acid
+C[C@@](CCC[C@@H](C(=O)O)N)(C(=O)O)N	ZDR	(2r,6s)-2,6-diamino-2-methylheptanedioic acid
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCN)COP(=O)(O)O)O	ZDU	5-(3-aminopropyl)-2'-deoxyuridine-5'-monophosphate
+c1cc(cc(c1)F)CN	ZDV	1-(3-fluorophenyl)methanamine
+C1CCC(CC1)CCCCCCO	ZE7	6-cyclohexylhexan-1-ol
+C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	ZE8	zebularine
+C/C(=C\CNc1c2c([nH]cn2)ncn1)/CO	ZEA	(2e)-2-methyl-4-(9h-purin-6-ylamino)but-2-en-1-ol
+C1=CN(C(=O)N[C@@H]1O)C2[C@@H]([C@@H]([C@H](O2)CO)O)O	ZEB	4-hydroxy-3,4-dihydro-zebularine
+c1cc2c(cc1O)sc(n2)S(=O)(=O)N	ZEC	6-hydroxy-1,3-benzothiazole-2-sulfonamide
+C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)Sc2ccccc2	ZED	l-proline, 1-[(2s)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-, 4s
+C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O	ZEE	beta-l-talopyranose
+c1cc(ccc1c2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)F	ZEG	4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
+CO[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O	ZEL	methyl beta-d-altropyranoside
+Cc1c(c2n3c1C(=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)CCC(=O)O)C)C=C)C)O)CCC(=O)O	ZEM	20-oxo-protoporphyrin ix containing zn(ii)
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5	ZEN	[4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]- (3,4,5,6-tetrahydro-2h-[1,4']bipyridinyl-4-yl)- methanone
+CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3ccccc3F	ZEP	n,n-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
+C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1)O)O	ZER	(3s,11e)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
+c1cc2c(cc1Cl)N(C(=O)N(C2=O)Cc3ccc(cc3F)Br)CC(=O)O	ZES	[3-(4-bromo-2-fluoro-benzyl)-7-chloro-2,4-dioxo-3,4-dihydro-2h-quinazolin-1-yl]-acetic acid
+C(CCCCO)CCCC(=O)O	ZEU	9-hydroxynonanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@H]4[C@H](O3)CO[P@@](=S)(O[C@@H]5[C@@H]([C@@H](CO[P@@](=S)(O4)[O-])O[C@H]5n6cnc7c6N=C(NC7=O)N)F)[O-])F)N	ZEV	(2r,5r,7r,8s,10r,12ar,14r,15s,15ar,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-14-(6-amino-9h-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2h,10h,12h-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+CC1C=C(C(CC1O)(C)C)C=CC(=C\C=C\C(=CC=CC=C(C)C=C\C=C(/C)\C=CC2=C(C[C@@H](CC2(C)C)O)C)C)C	ZEX	(1r,2s)-4-{(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol
+C/C(=C/CNc1c2c([nH]cn2)ncn1)/CO	ZEZ	(2z)-2-methyl-4-(9h-purin-6-ylamino)but-2-en-1-ol
+Cc1cccc(c1)CN	ZF0	1-(3-methylphenyl)methanamine
+c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O	ZF1	7-hydroxy-3-(4-hydroxyphenyl)-4h-chromen-4-one
+C[C@@H](c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(CC3)C(F)(F)F)N4[C@@H]5CC[C@H]4CC(C5)C(=O)O	ZF7	(1r,3s,5s)-8-{(1s)-1-[8-(trifluoromethyl)-7-{[(1s,4r)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid
+c1ccc(cc1)C[C@H](C(=O)C[N+]#N)NC(=O)OCc2ccccc2	ZFB	(3r)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium
+C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N(C)C	ZFG	4-{5-[(2e)-but-2-en-2-yl]thiophen-2-yl}-n,n-dimethylaniline
+CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)/C=C/C)(C)C	ZFJ	(4ap)-n,n-diethyl-9,9-dimethyl-7-[(1e)-prop-1-en-1-yl]-9h-fluoren-2-amine
+C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N3CCC3	ZFP	1-(4-{5-[(2e)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine
+C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O	ZFR	(1e,10s)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one
+CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3cccc(c3)C(F)(F)F	ZFS	n-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide
+CC(C)(c1csc(n1)NS(=O)(=O)C2CC2)C(=O)Nc3ccc(cn3)c4cncc(n4)C(F)(F)F	ZFY	2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-n-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
+CCn1c2c(cn1)c(c(cn2)c3nc(no3)CC(=O)N4CCCC4)NC5CCOCC5	ZG1	1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-b]pyridin-4-amine
+CCn1c2c(cn1)c(c(cn2)c3nc(c(o3)Cc4ccccc4)CC(=O)N5CCCC5)NC6CCOCC6	ZG2	5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-b]pyridin-4-amine
+CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4csc(n4)NS(=O)(=O)C5CC5	ZG4	n-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
+c1cc(cc(c1)Br)Oc2cnc3c(c(nn3c2O)C4(CC4)c5ccc(cc5)Cl)C#N	ZG7	(8s)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)Cc3ccccc3)OC(=O)C)O	ZGA	zaragozic acid a
+Cc1cc(ccc1OC)CCC(=O)O	ZGB	3-(4-methoxy-3-methylphenyl)propanoic acid
+COc1ccc(cc1)CCC(=O)O	ZGC	3-(4-methoxyphenyl)propanoic acid
+CNc1cc(ncn1)Oc2c(cc(cc2Cl)NC(=O)Nc3cccc(c3)C(F)(F)F)Cl	ZGD	n-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-n'-[3-(trifluoromethyl)phenyl]urea
+[H]/N=C(/N)\N[C@@H]1[C@H]([C@@H](OC(=C1F)C(=O)O)[C@@H]([C@@H](CO)O)O)NC(=O)C	ZGE	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-d-glycero-d-galacto-non-2-enonic acid
+C(CC(=O)O)[C@H](C(=O)N)N	ZGL	d-alpha-glutamine
+C(CC(=O)O)C(CC(=O)C(=O)O)O	ZGM	(4s)-4-hydroxy-2-oxoheptanedioic acid
+Cc1c(nc(c(c1OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)S	ZGP	5'-o-[(r)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxo-2-sulfanylethyl)pyridin-4-yl]oxy}phosphoryl]guanosine
+C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O	ZGR	2,4-dihydroxy-6-[(1e,10s)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O	ZGS	[(2~{r})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (9~{z},12~{z},15~{z})-octadeca-9,12,15-trienoate
+c1nc2c(n1C[C@@H](COP(=O)(O)O)O)N=C(NC2=O)N	ZGU	(s)-1'-(2',3'-dihydroxypropyl)-guanine
+CC[C@@H](/C=C/C=C(\C)/C=C/C(=O)NC(=O)/C=C/C1=CCN1C(=O)O)O	ZGV	4-[(1e)-3-{[(2e,4e,6e,8s)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2h)-carboxylic acid
+COC(=O)c1cccc(c1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	ZH1	methyl 4'-(alpha-d-mannopyranosyloxy)biphenyl-3-carboxylate
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O	ZH2	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
+O[Zn-](O)O	ZH3	zinc trihydroxide
+C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2cccc(c2)N)O	ZH4	4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide
+C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@H](CC/C=C(/C=C/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)OC)O)O)\C)O)OC)[C@H]([C@]3([C@@H]([C@H]([C@H]([C@H](O3)C[C@H](COC)O[C@H]4C[C@]([C@H]([C@@H](O4)C)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)OC)(C)O)C)O)C)O)O)\C)\C)\C	ZH7	(3~{e},5~{e},7~{e},9~{r},10~{r},11~{e},13~{e},17~{s},18~{s},20~{s})-18-methoxy-20-[(~{r})-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-[(2~{r})-3-methoxy-2-[(2~{r},4~{s},5~{s},6~{s})-5-[(2~{s},4~{r},5~{r},6~{r})-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-propyl]-3,5-dimethyl-2,4-bis(oxidanyl)oxan-2-yl]-oxidanyl-methyl]-10-[(2~{r},3~{s},4~{s},5~{r},6~{s})-5-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5,7,9,13-pentamethyl-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one
+CC(=O)Nc1ccc2c(c1)CCCC2=O	ZHA	~{n}-(5-oxidanylidene-7,8-dihydro-6~{h}-naphthalen-2-yl)ethanamide
+C[C@H]1CCC[C@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O	ZHB	(3s,7s,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one
+C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@@H](/C=C(/C=C(/C=C(/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)\C)\C)\C)O)OC)[C@@H](C)[C@]3([C@@H]([C@H]([C@]([C@H](O3)CCCOC)(C)O[C@H]4C[C@@H]([C@@H]([C@H](O4)C)O[C@H]5C[C@@]([C@@H]([C@H](O5)C)O)(C)O)O)O)OC)O)\C)\OC)\C	ZHD	(3~{e},5~{z},7~{e},9~{r},10~{s},11~{e},13~{e},15~{e},17~{r},18~{s},20~{s})-20-[(1~{r})-1-[(2~{s},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},4~{s},5~{s},6~{r})-5-[(2~{s},4~{r},5~{r},6~{r})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-3-methoxy-6-(3-methoxypropyl)-5-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethyl]-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-[(2~{r},3~{s},4~{r},5~{r},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one
+C[C@H](c1c(cc(c(c1O)[C@@H](C)O)O)O)O	ZHG	2,4-bis[(1r)-1-oxidanylethyl]benzene-1,3,5-triol
+COc1ccc(cc1)CCN	ZHH	2-(4-methoxyphenyl)ethanamine
+COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3)O	ZHJ	5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide
+C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(c(c3)Cl)Cl	ZHK	(2r)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide
+Cc1c(n(nn1)C2CCNCC2)c3cccc(n3)Oc4cc(ccc4Br)Br	ZHM	2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1h-1,2,3-triazol-5-yl]pyridine
+CCCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCCCCC	ZHN	pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate
+CC1=C(C(=O)C=CN1C[C@@H](COP(=O)(O)O)O)O	ZHP	(s)-1'-(2',3'-dihydroxypropyl)-hydroxypyridone
+Cc1cc(cc(c1)Oc2cccc(n2)c3c(nnn3C4CCN(CC4)CCN(C)C)C)C	ZHS	2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidin-1-yl)-n,n-dimethylethan-1-amine
+C/C=C(\C)/C(=O)C[C@H]1C[C@@H]([C@H](CCCC/C=C(/[C@H]2C=C[C@H]3C[C@H](C[C@H]([C@H]3[C@@H]2C(=O)C4=C(CN1C4=O)O)C)C)\C)C)O	ZHU	alchivemycin a
+Cc1c(n(nn1)C2CCN(CC2)CCN(C)C)c3cccc(n3)Oc4cc(ccc4Br)Br	ZHV	2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidin-1-yl)-n,n-dimethylethan-1-amine
+COc1ccc(cc1)CC(=O)N	ZHZ	2-(4-methoxyphenyl)acetamide
+C[C@H](c1nc(c(o1)Br)c2ccc(cc2)C(F)(F)F)Oc3ccc(c(c3F)C(=O)N)F	ZI1	3-[(1r)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide
+c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)F)Br)C(F)(F)F	ZI6	3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide
+c1cc(c(c(c1OCc2nc3cc(cnc3s2)C(F)(F)F)F)C(=O)N)F	ZI7	2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
+c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	ZID	isonicotinic-acetyl-nicotinamide-adenine dinucleotide
+COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F	ZIG	2,4-difluoro-n-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)OCc1ccccc1	ZIL	n-[(benzyloxy)carbonyl]-l-isoleucyl-l-leucine
+c1ccnc(c1)Cc2ccc3cccnc3c2O	ZIN	7-(pyridin-2-ylmethyl)quinolin-8-ol
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C	ZIO	(3s,5r,6s,7r,8r,11r,12s,13r,14s,15s)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranoside
+CC(=CCNc1c2c([nH]cn2)ncn1)C	ZIP	n-(3-methylbut-2-en-1-yl)-9h-purin-6-amine
+C[C@](Cc1c[nH]c2c1cccc2)(C(=O)O)N	ZIQ	alpha-methyl-l-tryptophan
+CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C	ZIR	n-(3-methylbut-2-en-1-yl)adenosine
+CC[C@@H]1[C@@]([C@@H]([C@H]([N@@](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O	ZIT	azithromycin
+CCCCCCCCCC(=O)c1cc(cc(c1)OC)OC	ZJ0	1-(3,5-dimethoxyphenyl)decan-1-one
+CCS(=O)(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC3CCCCC3	ZJ1	(2r)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-n-cyclohexyl-2-(pyridin-3-yl)acetamide
+Cc1cccc(c1c2ccc(s2)C(=O)O)C	ZJ4	5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid
+Cc1cc(c(c(c1)C)c2ccc(s2)C(=O)O)C	ZJ7	5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid
+Cc1ccccc1c2ccc(s2)C(=O)O	ZJA	5-(2-methylphenyl)thiophene-2-carboxylic acid
+CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N	ZJB	(2r,3r,4s,5r)-2-(3-amino-5-methyl-1,4,5,6,8-pentaazaacenaphthylen-1(5h)-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
+CCc1ccccc1c2ccc(s2)C(=O)O	ZJD	5-(2-ethylphenyl)thiophene-2-carboxylic acid
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCC6)C(=O)NS(=O)(=O)C7(CC7)C	ZJG	cyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CC(C6)(F)F)C(=O)NS(=O)(=O)C7(CC7)C	ZJJ	3,3-difluorocyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@@H]6CCC[C@H]6F)C(=O)NS(=O)(=O)C7(CC7)C	ZJM	(1r,2r)-2-fluorocyclopentyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C	ZJS	n-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate)
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@@H](C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C	ZJV	(2s)-1,1,1-trifluoropropan-2-yl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OCC6(CC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C	ZJY	[1-(trifluoromethyl)cyclopropyl]methyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F	ZK1	{[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2h)-yl]methyl}phosphonic acid
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C6CCCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C	ZK4	(1r)-1-cyclopentyl-2,2,2-trifluoroethyl {(2r,4r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F	ZK5	9alpha-fluorocortisol
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C	ZK7	1-(trifluoromethyl)cyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C[NH3+])F	ZK9	[3-aminomethylphenyl-oxy-]-[benzamidin-3-yloxy]-3,5-difluoro-4-methyl-pyridine
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OCC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C	ZKA	(1-methylcyclopropyl)methyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+CC(=O)NC1[C@H]([C@@H]([C@H](O[C@@H]1S[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	ZKD	uridine-diphosphate-1-deoxy-1-thio-n-acetylglucosamine
+O=[W]1234O[Zr]56O[W]78(=O)(O1)O2P91O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O96[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O)(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O8)(O7)O2	ZKG	zirconium(iv) phosphotungstate keggin
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C	ZKJ	(2r)-1,1,1-trifluoropropan-2-yl {(2r,4r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	ZKM	n-[(1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide
+C[S]1[Fe]2S[Fe]3[S]2[Fe]1S3	ZKP	fe3-s4 methylated cluster
+[C@@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	ZKS	(1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+c1cc(c(cc1Cl)Cl)Cn2c(cc(n2)C(=O)O)C(=O)O	ZKW	1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
+c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4)NC(=O)C5CC5)F	ZL1	n-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
+CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccc4c(c3)cc[n+](c4O)CCCCCCCCN5CCC6(CC5)C[C@@H]6C(=O)N1)(O)O	ZL4	(1r,3s,6s,18r,27r)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name)
+Cc1cccc2c1n(nc2c3cc(ccc3F)C(F)(F)F)Cc4nnn(n4)C	ZL5	3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2h-tetrazol-5-yl)methyl]-1h-indazole
+CC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[C@@H](c3ccc(cc3)F)C(F)(F)F	ZL7	(2r,3s)-n-cyclopropyl-3-{[(2r)-3-(cyclopropylmethanesulfonyl)-2-{[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)
+c1ccc2c(c1)ncc(n2)C(=O)NCc3cn(nn3)c4c(cc(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7	ZLA	1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1h-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3	ZLD	n-{[(5s)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
+c1cc(nc2c1cc(cc2)F)C(=O)NCc3cn(nn3)c4c(cc(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7	ZLG	antabactin
+C(CCl)S(=O)(=O)O	ZLJ	2-chloroethane-1-sulfonic acid
+Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C	ZLK	zafirlukast
+CCC(CCCCC[C@@H](c1[nH]c(cn1)c2ccc3c(c2)C=CN(C3=O)CC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O	ZLM	(1s)-6-ethyl-n-{(1s)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1h-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=O)(=O)c4ccc5c(c4)O/C(=N\C)/N5	ZLP	(3r,3as,4r,6ar)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[(2z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)[C@H]4CC[C@@H]3C4)NC(=O)[C@H]5CC56CCN(CC6)C)(O)O	ZLS	(1s)-n-[(1s)-7,7-dihydroxy-1-{4-[(1r,4s)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1h-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
+CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccccc3OCCCCCN4CC[C@@H]4C(=O)N1)(O)O	ZLV	(3s,18s,20ar)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4h-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2h)-one
+c1ccc2c(c1)cccc2C[C@@H]3C/C=C/[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H](C(=O)NC3)CC(=O)N)c5ccc(cc5)CC(=O)O	ZLY	(4-{(10r,11e,14s,18s)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid
+CC(=O)N[C@H](C=O)[C@H]([C@@H](CCOP(=O)(O)O)O)O	ZM1	2-acetamido-2,5-dideoxy-6-o-phosphono-d-lyxo-hexose
+CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)OC	ZM3	mycinamicin iii
+c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O	ZMA	4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol
+B1(c2ccccc2[C@H](O1)O)O	ZMD	(3s)-2,1-benzoxaborole-1,3(3h)-diol
+Cc1ccn(c1)c2c3c([nH]cn3)ncn2	ZME	6-(3-methyl-1h-pyrrol-1-yl)-9h-purine
+CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2F	ZMG	(5r)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5h)-one
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)OC)O	ZMK	methyl 7-{[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate
+CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	ZMO	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9z)-octadec-9-enethioate
+CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	ZMP	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate
+CCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	ZMQ	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9z)-hexadec-9-enethioate
+[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O	ZMR	zanamivir
+CC(CN1Cc2cc(ncc2-c3cnc(n4c3c(nc4)C1=O)NCc5c(ccc6c5CCO6)F)C(F)(F)F)(F)F	ZMY	(9ap,12ar)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3h-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one
+[Zn+2]	ZN	zinc ion
+CC[Sn](CC)(CC)Cl	ZN0	triethyltin chloride
+[Zn+2]	ZN2	zinc ion on 3-fold crystal axis
+[OH2][Zn+2]	ZN3	zinc ion, 1 water coordinated
+CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)Cl	ZN4	1-(4-chlorophenyl)-n-[2-(diethylamino)ethyl]methanesulfonamide
+C[Sn](C)(Br)Br	ZN5	dimethyltin dibromide
+CC[Sn](CC)(Cl)Cl	ZN6	diethyltin dichloride
+CC[Pb](CC)(Br)Br	ZN7	diethyllead dibromide
+C[Sn](C)(C)Cl	ZN8	trimethyltin chloride
+C[Pb](C)(C)Br	ZN9	trimethyllead bromide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](S4)[N]5=CC(=CC=C5)C(=O)N)O)O)O)O)N	ZNA	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1nc(c2c(n1)n(c(n2)SCC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4Br)O)O)[C@H]6[C@@H]([C@@H]([C@H](O6)CN=[N]=N)O)O)N	ZNB	2-[6-azanyl-9-[(2r,3r,4s,5r)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanyl-n-[[(2r,3s,4r,5r)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide
+c1ccc(cc1)CCCN2CCC(=CC2)c3c[nH]c4c3cccn4	ZNC	3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1h-pyrrolo[2,3-b]pyridine
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5)C=C8C)C)CCC(=O)O	ZND	zinc (ii) deuteroporphyrin ix
+C[C@H](CCCC(c1nccs1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C	ZNE	(1r,3s,5z)-5-[(2e)-2-{(1r,3as,7ar)-1-[(1r,5s)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4h-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol
+c1cc-2c(cc1C(F)(F)F)CNC(=O)c3c4c2cnc(n4cn3)NCc5c6ccoc6ccc5F	ZNG	(9am,12as)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3h-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C	ZNH	protoporphyrin ix containing zn
+C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(CO)(F)F)c4c(cc(cc4F)NC5CN(C5)CCCF)F	ZNM	3-[(1r,3r)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol
+C(CCNC(=O)CN=[N+]=[N-])CN	ZNN	n-(4-aminobutyl)-2-azidoacetamide
+[OH2][Zn+2][OH2]	ZNO	zinc ion, 2 waters coordinated
+c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)N	ZNP	(2r)-2-benzyl-3-nitropropanamide
+C=CCOc1ccccc1F	ZNV	1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene
+CCO[C@@H]1C[C@H](NC1)C(=O)O	ZNY	(4r)-4-ethoxy-l-proline
+CN1CCCN(CC1)c2c3ccccc3nc(n2)C(F)(F)F	ZO0	4-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)quinazoline
+c1cc(cc(c1)C(F)(F)F)C=O	ZO1	3-(trifluoromethyl)benzaldehyde
+[OH2][Zn+2]([OH2])[OH2]	ZO3	zinc ion, 3 waters coordinated
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@@H]([C@@H]([C@@H](CO3)O)O)O)Cl	ZO4	n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-ribopyranosylamine
+c1cncc2c1cnc3c2scc3	ZO6	thieno[3,2-c][2,6]naphthyridine
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@H]([C@@H]([C@@H](CO3)O)O)O)Cl	ZO7	n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-arabinopyranosylamine
+c1cncc2c1c3ccsc3nc2	ZO8	thieno[2,3-c][2,7]naphthyridine
+c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N	ZO9	4-[1-(cyclopropylmethyl)-1h-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
+CCOC(=O)c1cnc2c(cnn2c1C)NC(=S)NCc3ccc(cc3)S(=O)(=O)N	ZOA	ethyl (8r)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
+CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	ZOD	[(2r,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] ethanoate
+C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2	ZOE	6-({5-[(3as,4s,5s,6ar)-5-oxido-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid
+[H]/N=C/1\N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O	ZOF	6-({5-[(2e,3as,4s,6ar)-2-iminohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid
+c1cc(ccc1C(=O)CCC(=O)O)S(=O)(=O)N2CCC(CC2)c3ccc(c(c3)F)F	ZOG	4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid
+c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O	ZOL	zoledronic acid
+Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O	ZOM	[5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrol-2-yl]acetic acid
+c1ccc2c(c1)c(no2)CS(=O)(=O)N	ZON	1-(1,2-benzoxazol-3-yl)methanesulfonamide
+CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)F)c3ccc(c(c3)C#CCCCF)F	ZOO	(5r)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4h-imidazol-4-one
+CCN(C)C(=O)c1ccc\2c(c1)NC(=O)/C2=C(/c3ccccc3)\Nc4ccc(cc4)CN5CCCCC5	ZOP	(3z)-n-ethyl-n-methyl-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1h-indole-6-carboxamide
+CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl	ZOT	2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-n,n-dimethyl-ethanamine
+Cc1cc(n(n1)C)c2cnc(c3c2scc3c4ccc5c(c4)ncs5)N	ZOV	3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1h-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine
+c1ccc(cc1)CCCCCCCCCC(=O)NCCC[C@@H](C(=O)N)N	ZOY	n-[(4s)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide
+CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	ZOZ	3-keto-decanoyl-coa
+CCOP(=O)([C@@](CCC(=O)O)([C@@H]1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O	ZP1	(4~{s})-4-[(2~{r})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{h}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-]	ZP4	[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3	ZP6	(2s)-3-phenyl-2-[[(2s)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O	ZP7	(2s)-2,3-dihydroxypropyl hexadecanoate
+[H]/N=C(/CCCS[C@@H]1CC(=O)N(C1=O)Cc2ccccc2)\N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O	ZPA	4-(n-benzylsuccinimide-3-sulfanyl)-n-(6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)butylamidine
+CN1CCN(CC1)C(=O)O[C@@H]2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl	ZPC	(5r)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5h-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate
+CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCOP(=O)(O)O[C@@H]1C[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO	ZPD	(4s,8r,12s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl (1r,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (r)-phosphate
+CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)CO[P@@](=O)(O)OCCN	ZPE	(2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11z)-octadec-11-enoate
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(CO[C@H]1O2)CO)O)O	ZPF	n-[(1s,2r,3r,4r,5s)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
+C[C@H](COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O)O	ZPG	(2s,5r,8r,11s,14s,17s,21r)-5,8,11,14,17-pentamethyl-4,7,10,13,16,19-hexaoxadocosane-2,21-diol
+CC(C)C[C@H](N)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC	ZPH	methyl (2s)-2-{[(r)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate
+C1CC1C(=O)O	ZPJ	cyclopropanecarboxylic acid
+C1CC(C1)C(=O)O	ZPM	cyclobutanecarboxylic acid
+C/C=C/C=C\C(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2CC(=C)C[C@@H](O2)CCCC(=O)C/C(=C\C=C\C(=O)O1)/C)/C)O	ZPN	(2z,4e)-n-[(s)-[(1s,2e,5s,8e,10z,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide
+C1CNN(C1)C(=O)O	ZPO	pyrazolidine-1-carboxylic acid
+Cc1cc(n(n1)COC(=O)N[C@@H](CS(=O)(=O)C)C(=O)N[C@@H](CC(C)C)[C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C)O)C	ZPQ	n~2~-[(2r,4s,5s)-5-{[n-{[(3,5-dimethyl-1h-pyrazol-1-yl)methoxy]carbonyl}-3-(methylsulfonyl)-l-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-n-isobutyl-l-valinamide
+c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O	ZPR	n-benzyloxycarbonyl-l-prolyl-l-prolinal
+C1CC(C1)(C(=O)O)C(=O)O	ZPS	cyclobutane-1,1-dicarboxylic acid
+[CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-]	ZPT	trichloro(ethene)platinate(ii)
+c1ccc(cc1)C2CCN(CC2)S(=O)(=O)c3ccc(c(c3)F)C(=O)NCC(=O)O	ZPV	n-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](Cn4cccn4)O	ZPX	n-[(1r)-1-(4-fluorophenyl)ethyl]-n'-[(2s,3s)-3-hydroxy-1-phenyl-4-(1h-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
+CCOC(=O)c1cnn(c1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccc(cc4)F)O	ZPY	ethyl 1-{(2s,3s)-3-[(3-{[(1r)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1h-pyrazole-4-carboxylate
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](Cn4cc(nn4)[C@H](C)O)O	ZPZ	n-[(1r)-1-(4-fluorophenyl)ethyl]-n'-[(2s,3s)-3-hydroxy-4-{4-[(1s)-1-hydroxyethyl]-1h-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
+c1cc(ccc1C2CCN(CC2)S(=O)(=O)c3ccc(nc3)C(=O)NCC(=O)O)Cl	ZQ1	n-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine
+CCCCCCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O	ZQ4	2,6-anhydro-1-deoxy-1-[(s)-hydroxy{[(4r,8s,12r,16r,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-d-glycero-d-galacto-heptitol
+CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)(C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(F)F)O	ZQ7	2,6-anhydro-1-deoxy-1,1-difluoro-1-[(r)-hydroxy{[(4s,8s,12s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-d-glycero-d-galacto-heptitol
+CCc1csc(n1)c2cnc[nH]2	ZQA	4-ethyl-2-(1h-imidazol-5-yl)-1,3-thiazole
+CSc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3	ZQC	4-methylsulfanyl-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
+Cc1cc(no1)[C@@H]2CCCN2S(=O)(=O)C	ZQD	3-[(2s)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole
+c1cnc([nH]1)CCCN	ZQG	3-(1h-imidazol-2-yl)propan-1-amine
+CN1C(=O)C=C2CNCCC2=N1	ZQJ	2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2h)-one
+CC(C)Sc1ccccc1NC(=O)N	ZQM	n-{2-[(propan-2-yl)sulfanyl]phenyl}urea
+c1cc(sc1)[C@]23CN(C[C@H]2CSC(=N3)N)c4ncccn4	ZQS	(4ar,7ar)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
+c1ccc2c(c1)[C@@H]3[C@@H](C3(F)F)c4ccccc4C2N5CCN(CC5)C[C@H](COc6cccc7c6cccn7)O	ZQU	zosuquidar
+CCCc1cc2c(nc(nc2s1)OC)NCCc3ccc(cc3)OCc4[nH]nnn4	ZQY	2-methoxy-6-propyl-n-(2-{4-[(1h-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine
+[Zr+4]	ZR	zirconium ion
+Cc1c2ccn(c2ncn1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)Oc4cc(c(c5c4CNCC5)F)C(F)F	ZR1	(1s,2s,3s,5r)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
+c1cc(c(cc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O)F)Cl	ZR4	7-[(5r)-5-c-(4-chloro-3-fluorophenyl)-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+COc1cnc(cn1)C(=O)Nc2ccc(c(c2)[C@]34CN(C[C@H]3CSC(=N4)N)c5ncc(cn5)F)F	ZR7	n-{3-[(4ar,7as)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4h)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide
+CC(C(=O)CF)NC(=O)[C@H](CCCNC(N)N)NC(=O)OCc1ccccc1	ZRA	benzoyl-arginine-alanine-fluoro-methyl ketone
+[O-][Zr]123(OP4(=O)O[Zr]5(O1)([O+]2[Zr](O4)(O3)(O5)([O-])([O-])[O-])([O-])([O-])[O-])([O-])[O-]	ZRC	oxo zirconium(iv) cluster
+c1cnsc1[C@]23CN(C[C@H]2CSC(=N3)N)c4ncc(cn4)F	ZRD	(4ar,7ar)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
+[H]/N=C(/NCCC[C@@H](C(=O)NC)NC(=O)C)\NC(=O)NC	ZRG	(2s)-2-acetamido-n-methyl-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]pentanamide
+c1cnccc1c2cc3c(o2)C=CNC3=O	ZRK	2-(4-pyridinyl)furo[3,2-c]pyridin-4(5h)-one
+c1cnccc1c2cc3c(s2)C(=CNC3=O)Br	ZRL	7-bromo-2-pyridin-4-yl-5h-thieno[3,2-c]pyridin-4-one
+c1cc(ccc1C2=CNC(=O)c3c2sc(c3)c4ccncc4)O	ZRM	7-(4-hydroxyphenyl)-2-pyridin-4-yl-5h-thieno[3,2-c]pyridin-4-one
+c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(F)F	ZRO	2,6-dioxo-5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CCCCCCNc1ccc2c(c1)c(c(cn2)C(=O)NC)Nc3ccccc3	ZRP	4-anilino-6-(hexylamino)-n-methylquinoline-3-carboxamide
+c1cc(ccc1C(=O)O)n2cncn2	ZRS	4-(1h-1,2,4-triazol-1-yl)benzoic acid
+CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(c3Nc4ccccc4)C(=O)NC5CC5	ZRV	4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-n-cyclopropyl-7-fluoroquinoline-3-carboxamide
+O=[W]1234O[Zr]56O[W]78(=O)(O1)O[W]91%10(=O)O[W]%11%12(=O)(O2)O[W]2%13%14(=O)O%11P%11%15O9[W]9%16(=O)(O1)O[W]1%17(=O)(O7)O8P78O3[W]3(=O)(O4)(O2)O[W]24(=O)(O5)O7[W](O6)(O2)(O1)(O[W]12(=O)(O%17)O8[W](=O)(O4)(O3)(O1)O[W]13(=O)(O%13)O%11[W](=O)(O1)(O9)(O2)O[W]12(=O)(O%16)O%154[W](=O)(O%12)(O%10)(O1)O[W]4(=O)(O%14)(O3)O2)[O]	ZRW	w-zr-cluster
+[H]/N=C\1/c2ccccc2/C(=N/Nc3ccccc3)/N1	ZRY	(1z,3z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1h-isoindol-1-imine
+c1cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F	ZS0	3-(4-fluorobenzyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one
+[H]/N=C\1/c2ccccc2C(=N1)N	ZS1	(1z)-1-imino-1h-isoindol-3-amine
+CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c4ccccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6	ZS2	(4~{s})-4-[4-fluoranyl-3-(isoquinolin-1-ylmethylcarbamoyl)phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide
+c1ccc2c(c1)nc(n2c3nc(nc(n3)N4CCOCC4)N5CCOCC5)C(F)F	ZS4	2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1h-benzimidazole
+c1ccc2c(c1)C(=NC2=O)N	ZS7	3-amino-1h-isoindol-1-one
+CC#CCCCCC[C@@](C)(C(=O)O)N	ZS8	(2s)-2-amino-2-methyldec-8-ynoic acid
+c1ccc\2c(c1)C(=N/C2=N\NC(=N)N)N	ZSA	(2z)-2-(3-amino-1h-isoindol-1-ylidene)hydrazine-1-carboximidamide
+CN(c1cc(cc(c1)C(=O)O)C(=O)O)S(=O)(=O)C	ZSC	5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
+Cc1c(c(on1)C)CN(C)Cc2cc3n(n2)CCN(C3)c4cc(ncn4)N	ZSD	6-[(8r)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4h)-yl]pyrimidin-4-amine
+CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N	ZSG	(8s)-5-(2-aminopyrimidin-4-yl)-n-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
+CSc1ccc(cc1)CNCCO	ZSJ	2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol
+c1cc(ccc1CSC(=N)N)CSC(=N)N	ZSM	(1,4-phenylene)bis(methylene) dicarbamimidothioate
+C(C(=O)N)N(C(=O)O)N	ZSN	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)c[nH]n4)F	ZSO	5-{[(3s,4r)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2h-indazole
+C/C(=C(\C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O	ZSP	2-amino-6-[(1z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3h)-one
+[H]/N=C(/N)\S[C@H](C)c1ccc(cc1)Cl	ZSS	(1r)-1-(4-chlorophenyl)ethyl carbamimidothioate
+c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O	ZST	3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid
+COc1ccc(cc1)CNC(=O)c2ccccc2C[N@@H+](CC=C)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	ZSV	(r)-[(2s)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium
+CC[C@@H](C)NC(=O)c1ccccc1C[N@@H+](CC=C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O	ZSW	(r)-[2-[[(2r)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2s)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium
+c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c4ccco4	ZSY	n-cyclopropyl-6-(furan-2-yl)-2-hydroxy-n-[(pyridin-2-yl)methyl]pyridine-3-carboxamide
+C[NH+](Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OCO4	ZT0	(4-carboxy-1,3-benzodioxol-5-yl)-n-{2-[(4-methoxybenzyl)carbamoyl]benzyl}-n-methylmethanaminium
+CC(C)N(CCCC[C@@H](C(=O)O)N)Cc1cncn1C	ZT1	n~6~-[(1-methyl-1h-imidazol-5-yl)methyl]-n~6~-propan-2-yl-l-lysine
+c1ccc\2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4	ZT2	5-[(e)-(2-oxo-2,3-dihydro-1h-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
+c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OCO4)O	ZT4	5-{(e)-[(2r)-2-hydroxy-2,3-dihydro-1h-inden-1-ylidene]methyl}-1,3-benzodioxole-4-carboxylic acid
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)C(=O)OC)O	ZTD	methyl 4-[({(4r)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolyl}amino)methyl]benzoate
+CC1=CN(C(=O)NC1=O)C[C@@H](COP(=O)(O)O)O	ZTH	(s)-1'-(2',3'-dihydroxypropyl)-thymine
+c1cc(c(c(c1)F)F)O	ZTN	2,3-bis(fluoranyl)phenol
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C	ZTP	(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate
+c1cc(ccc1c2cc3ccc(cc3s2)O)O	ZTW	raloxifene core
+CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)C	ZTX	2-((4-(4-hydroxypiperidin-1-yl)phenyl)amino)-5,11-dimethyl-5h-benzo[e]pyrimido [5,4-b][1,4]diazepin-6(11h)-one
+C[C@H]([C@@H](C(=O)O)N)OC(C)(C)C	ZU0	o-tert-butyl-l-threonine
+CC(C)C[C@@H](C(=O)N[C@H](CCC(=O)C)C[C@@H]1CCNC1=O)NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc2ccccc2	ZU3	n-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-l-alanyl-n-[(1r)-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}pentyl]-l-leucinamide
+CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl	ZU4	1-(2-chlorobenzyl)-4-hexylpyridin-2(1h)-one
+C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)C1CC1)C[C@@H]2CCNC2=O)NC(=O)OCc3ccccc3)OC(C)(C)C	ZU5	n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-[(1r)-4-cyclopropyl-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}butyl]-l-leucinamide
+c1ccnc(c1)c2csc(n2)Nc3ccc(cn3)Cl	ZUF	~{n}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
+CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(cnc3)Oc4cccc(c4)Cl	ZUI	1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione
+c1cnc(nc1)CCC[C@H](C(=O)O)N	ZUK	5-pyrimidin-2-yl-d-norvaline
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)N(O)O)O	ZUN	(4r)-n-[4-(dihydroxyamino)benzyl]-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolinamide
+c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4	ZUQ	n-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide
+CN1c2c3c(c[nH]c3ncn2)C(=N1)N	ZVO	5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine
+c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCNCC6	ZVP	7-[7-oxo-5-(piperazin-1-yl)-7h-thieno[3,2-b]pyran-3-yl]-n-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
+C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F	ZVS	n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
+C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3Cl	ZVT	2-chloro-n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]benzamide
+C[C@@H](c1nnc(n1C)SCc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F	ZVU	n-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
+Cc1ccccc1OCCSc2nnc(n2C)[C@H](C)NC(=O)c3ccccc3C(F)(F)F	ZVV	n-[1-(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
+C[C@@H](c1nnc(n1Cc2ccc(cc2)F)SCCOc3ccc(cc3)F)NC(=O)c4ccccc4C(F)(F)F	ZVW	n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
+C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3c(cccc3F)F	ZVX	2,6-difluoro-n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]benzamide
+c1ccnc(c1)N2CCN(CC2)Cc3cc(ccc3c4ccc(cc4)C#N)OCC(=O)O	ZVY	2-[4-(4-cyanophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetic acid
+CNC(=O)COc1ccc(c(c1)CN2CCN(CC2)c3ccccn3)c4ccc(cc4)C#N	ZVZ	2-[4-(4-cyanophenyl)-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}phenoxy]-n-methylacetamide
+c1ccc(cc1)Cc2cc3c(s2)NC(=O)N(C3=O)O	ZW2	6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1h,3h)-dione
+CC(=O)Nc1cn2cc(ccc2n1)/C=C\3/C(=O)NC(=O)S3	ZW3	n-{6-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]imidazo[1,2-a]pyridin-2-yl}acetamide
+CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]	ZWI	3-[decyl(dimethyl)ammonio]propane-1-sulfonate
+CC(C)(C=C)c1c(c2ccccc2[nH]1)Cc3c[n+]4c(c(n3)[O-])CC=C4	ZWP	3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-8h-pyrrolo[1,2-a]pyrazin-5-ium-1-olate
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CN)O)O)O	ZWZ	(2r,3r,4r,5r,6s)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol
+C1C[C@@H](CCNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)(=O)O	ZX0	(3r)-1-[(4s)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-l-proline
+C1C[C@H](CCNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)(=O)O	ZX1	(3r)-1-[(4r)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-l-proline
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)CCc2c[nH]c3c2cccc3)O)O)O	ZX5	3-(1h-indol-3-yl)-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}propanamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)Cc2c[nH]c3c2cccc3)O)O)O	ZX6	2-(1h-indol-3-yl)-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3[nH]2)O)O)O	ZX7	n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1h-indole-2-carboxamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3o2)O)O)O	ZX8	n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1-benzofuran-2-carboxamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)[C@H](c2ccccc2)C3CCCC3)O)O)O	ZX9	(2s)-2-cyclopentyl-2-phenyl-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}ethanamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)C)O)O)O	ZXA	n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide
+c1ccc(cc1)C[C@H]2[C@H]([C@H]([C@@H](CN2)O)O)O	ZXB	(2s,3r,4s,5r)-2-benzylpiperidine-3,4,5-triol
+c1cc(sc1)C(=O)Nc2c3c([nH]cn3)ncn2	ZXC	n-(9h-purin-6-yl)thiophene-2-carboxamide
+CC(C)[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O	ZXD	(2s,3r,4s,5r)-2-(1-methylethyl)piperidine-3,4,5-triol
+CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)OS(=O)(=O)O)Br	ZXG	2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate
+c1cc(ccc1CN)I	ZXI	1-(4-iodophenyl)methanamine
+B([C@H](Cn1cc(nn1)C(=O)O)NC(=O)Cc2cccs2)(O)O	ZXM	1-{(2r)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1h-1,2,3-triazole-4-carboxylic acid
+c1cc(ccc1C[C@@H](C(=O)NCCCOC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)NC(=O)/C=C/c5ccc(c(c5)O)O)O	ZXU	n-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-1-benzopyran-3-yl]oxy}propyl)-nalpha-[(2e)-3-(3,4-dihydroxyphenyl )prop-2-enoyl]-l-tyrosinamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NC[C@@H](C=O)N)O)O)N	ZXW	5'-o-[(s)-{[(r)-{[(r)-[(2-{[(2s)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
+CC(C)[C@@H](C(=O)N[C@@H](Cc1cccc(c1)O)C(=O)N2CCC[C@H](N2)C(=O)OC)NC(=O)C	ZXX	methyl (3~{s})-1-[(2~{s})-2-[[(2~{s})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate
+c1cc(c(cc1/C=C/C(=O)N2CCC[C@H]2C(=O)NCCCOC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O	ZXY	n-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-1-benzopyran-3-yl]oxy}propyl)-1-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-l-prolinamide
+CC1=CC(=O)N(c2c1cccc2)C	ZXZ	1,4-dimethylquinolin-2(1h)-one
+CCc1ccnc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)C(F)(F)F)O	ZY0	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-4-ethyl-8-(2-oxopyrrolidin-1-yl)quinoline-6-carboxamide
+CCc1cn2c3c1cc(cc3[N@](S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O	ZY1	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1h-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
+CCN1CCN2CCS(=O)(=O)[N@](c3c2c1cc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O)C	ZY2	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-8-ethyl-1-methyl-3,4,7,8-tetrahydro-1h,6h-[1,2,5]thiadiazepino[5,4,3-de]quinoxaline-10-carboxamide 2,2-dioxide
+CCNc1cc(cc2c1CCCS(=O)(=O)N2C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O	ZY3	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-6-(ethylamino)-1-methyl-1,3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide
+CCn1cc2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)C(CNC5CCOCC5)(O)O	ZY4	n-[(1s)-1-benzyl-2,2-dihydroxy-3-(tetrahydro-2h-pyran-4-ylamino)propyl]-6-ethyl-1-methyl-1,3,4,6-tetrahydro[1,2]thiazepino[5,4,3-cd]indole-8-carboxamide 2,2-dioxide
+COc1cc(ccc1\C=C\2/CCCN=C2c3cccnc3)O	ZY5	4-[(e)-5,6-dihydro-2,3'-bipyridin-3(4h)-ylidenemethyl]-3-methoxyphenol
+c1ccc(cc1)c2cnc3c(c2N4CCO[C@H](C4)CN)cn[nH]3	ZY6	1-[(2s)-4-(5-phenyl-1h-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
+COc1ccc(c(c1)OC)\C=C\2/CCCN=C2c3cccnc3	ZY7	(3e)-3-[(2,4-dimethoxyphenyl)methylidene]-3,4,5,6-tetrahydro-2,3'-bipyridine
+c1cc(nc(c1)C(=O)O)CN	ZY9	6-(aminomethyl)pyridine-2-carboxylic acid
+CC(C(=O)CF)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc2ccccc2	ZYA	benzoyl-tyrosine-alanine-fluoro-methyl ketone
+c1cc(ccc1/C(=N/O)/N)F	ZYB	4-fluorobenzamidoxime
+CCOC(=O)/C=C/c1ccc(c(c1)OC)O	ZYC	ethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
+CC(C)(CCCCCC[C@@]12CCC[C@H]1/C(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)/CCC2)O	ZYD	(1r,3s,5z)-5-{(2e)-2-[(3ar,7as)-7a-(7-hydroxy-7-methyloctyl)octahydro-4h-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
+CCn1ccc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O	ZYE	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-1-ethyl-4-(2-oxopyrrolidin-1-yl)-1h-indole-6-carboxamide
+C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)OC(=O)[C@H](CCCCN(C(=O)/C=C\CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O	ZYF	(9z)-11-{hydroxy[(5s)-6-{[(1s)-3-{[(3s)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid
+C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)O[C@H]([C@H](CCCCN(C(=O)CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O)O	ZYG	9-{hydroxy[(5s,6r)-6-hydroxy-6-{[(1s)-3-{[(3s)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid
+c1cnc(nc1)N2CCN(CC2)C3CN(C3)C(=O)c4ccc5c(c4)oc(n5)C6CCCCC6	ZYH	(2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone
+c1cc2c(cc1Cl)nc(o2)NC(=O)CC3CCCC3	ZYI	n-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
+COc1ccc(cc1OC)/C=N/O[C@@H]2C[C@H](NC2)C(=O)O	ZYJ	(4r)-4-({[(1e)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-l-proline
+COc1ccc(cc1OC)C(=O)NO[C@@H]2C[C@H](NC2)C(=O)O	ZYK	(4r)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-l-proline
+CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O	ZYL	1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid
+c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O)O	ZYM	2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid
+CC(C)N1C(=C2CCN(C(=O)C2=C(C1=O)O)Cc3ccc(c(c3)Cl)F)C(=O)N(C)C	ZYN	6-(3-chloro-4-fluorobenzyl)-4-hydroxy-n,n-dimethyl-2-(1-methylethyl)-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide
+CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3N4CC[N@](S4(=O)=O)C)Cc5ccc(c(c5)Cl)F)C	ZYO	(6s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2h,6h)-dione
+c1cc2c(c(c(nc2N3CCCCS3(=O)=O)C(=O)NCc4ccc(cc4)F)O)nc1	ZYP	5-(1,1-dioxido-1,2-thiazinan-2-yl)-n-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
+CC(=O)Nc1nc2c(s1)C(=O)NCCC2	ZYQ	n-(4-oxo-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
+C1CCc2c(c3c(s2)N=CNC3=O)C1	ZYR	5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one
+CC(C)(C)Nc1nc(c(s1)C(=O)c2ccccc2)N	ZYS	[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone
+CSc1[nH]c(c(n1)O)Cc2cccs2	ZYT	2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1h-imidazol-4-ol
+c1[nH]c2c(n1)c(ncn2)N3CCOCC3	ZYU	6-morpholin-4-yl-9h-purine
+c1[nH]c2c(n1)ncnc2N3CCO[C@H](C3)CN	ZYV	1-[(2s)-4-(7h-purin-6-yl)morpholin-2-yl]methanamine
+c1c2c(c(cnc2[nH]n1)Br)N3CCO[C@H](C3)CN	ZYW	1-[(2s)-4-(5-bromo-1h-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
+c1cc(ccc1CCN)S(=O)(=O)N	ZYX	4-(2-aminoethyl)benzenesulfonamide
+C[C@H]1CN(C(=O)c2n1c3c(c2O)C(=O)N(N=C3N(C)S(=O)(=O)C)Cc4ccc(cc4)F)C(C)C	ZYY	n-[(6s)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-8-(1-methylethyl)-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-n-methylmethanesulfonamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)C[Se](=O)O)C(=O)OC	ZYZ	(4-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
+c1cc(c(nc1)Nc2ccc(cc2)Cl)C(=O)O	ZZ0	2-(4-chloro-phenylamino)-nicotinic acid
+CC1=CC(=O)Oc2c1cccc2	ZZ1	4-methyl-2h-chromen-2-one
+Cc1cc(nc(n1)N)OCCOC	ZZ2	4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
+Cc1nc(nc(n1)SC)N	ZZ3	4-methyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine
+c1ccc(cc1)/N=N/c2cnc(nc2c3ccc(cc3Cl)Cl)N	ZZ4	4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine
+CCOc1ccc(cc1)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N	ZZ5	3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
+CCNC(=O)c1cc2c(nc(nc2s1)N)c3ccc(cc3Cl)Cl	ZZ6	2-amino-4-(2,4-dichlorophenyl)-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C	ZZ7	(2r,4s)-2-[(r)-{[(2r)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CC(=O)Nc1ccccc1C(=O)O	ZZ8	2-(acetylamino)benzoic acid
+CCCCCCCCCC[C@H](O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	ZZ9	5'-o-[(s)-hydroxy{[(1r)-1-hydroxyundecyl]oxy}phosphoryl]adenosine
+c1ccc(cc1)n2cc(cn2)C(=O)O	ZZA	1-phenyl-1h-pyrazole-4-carboxylic acid
+[B@@-]12(c3cc(c(cc3CO1)F)NCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	ZZB	[(1s,3s,5r,6r,8r)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
+CC(=O)[C@@H]([C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O	ZZC	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3r)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N	ZZD	s-trityl-l-cysteine
+CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N	ZZE	5-{[3,5-diethyl-1-(2-hydroxyethyl)-1h-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile 
+Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc3)S(=O)(=O)N	ZZF	4-({4-[(2,6-dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide
+Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c(c(c4)OC)OC)OC	ZZG	4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-n-(3,4,5-trimethoxyphenyl)pyridin-2-amine
+c1ccc(cc1)Cc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O	ZZH	(2s)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
+CCCN(CCC)C(=O)[C@@H]([C@@H](CO)O)O	ZZI	(2r,3r)-2,3,4-trihydroxy-n,n-dipropylbutanamide
+C[C@@H](C(=O)N)NC	ZZJ	n^2^-methyl-l-alaninamide
+c1cc(c2c(c1)OCO2)c3cc(c(nc3)N)c4ccc(cc4)C(=O)N	ZZK	4-[2-amino-5-(1,3-benzodioxol-4-yl)pyridin-3-yl]benzamide
+c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F	ZZL	4-{[9-chloro-7-(2,6-difluorophenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid
+CC(C)n1c2c(c(n1)C#Cc3cccnc3)c(ncn2)N	ZZM	1-(1-methylethyl)-3-(pyridin-3-ylethynyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6cc(cc(c6)F)O)c(ncn5)N	ZZN	2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one
+Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6ccc(c(c6)F)O)c(ncn5)N	ZZO	2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one
+COC1=CC(=C/C(=N\c2c(nc3ccccc3n2)NS(=O)(=O)c4ccc(cc4)F)/C1)OC	ZZP	n-(3-{[(1z)-3,5-dimethoxycyclohexa-2,4-dien-1-ylidene]amino}quinoxalin-2-yl)-4-fluorobenzenesulfonamide
+COc1ccccc1N2C(=O)C3=C(CCCC3)N=C2SCC(=O)Nc4ccc5c(c4)nccn5	ZZQ	2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-n-quinoxalin-6-ylacetamide
+c1([nH][n+]2c(n[nH]c2n1)N)N	ZZR	3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium
+c1nc(nc(n1)N)N	ZZS	1,3,5-triazine-2,4-diamine
+Cc1ccc(c(c1)N)OC	ZZT	2-methoxy-5-methylaniline
+C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O	ZZU	(2s,3s)-3-hydroxyarginine
+C[N@@](c1c2cccnc2c(c3c1CN(C3=O)Cc4ccc(cc4)F)O)S(=O)(=O)C	ZZV	n-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6h-pyrrolo[3,4-g]quinolin-5-yl]-n-methylmethanesulfonamide
+c1ccc2c(c1)c3cc(ncc3n2Cc4ccc(cc4)F)C(=O)NO	ZZW	9-(4-fluorobenzyl)-n-hydroxy-9h-beta-carboline-3-carboxamide
+CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3C(=O)NC)Cc4ccc(c(c4)Cl)F)C	ZZX	(6s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-n,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide
+c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)n2ccc3c2cc(cn3)C(=O)N	ZZY	1-[(2-nitrophenyl)sulfonyl]-1h-pyrrolo[3,2-b]pyridine-6-carboxamide
+C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C=O	ZZZ	6-formyltetrahydropterin
diff --git a/graphein/protein_ligand/__init__.py b/graphein/protein_ligand/__init__.py
new file mode 100644
index 000000000..0fddbf070
--- /dev/null
+++ b/graphein/protein_ligand/__init__.py
@@ -0,0 +1,22 @@
+"""Protein graph construction module."""
+from .config import *
+from .edges import *
+from .graphs import *
+from .utils import *
+from .visualisation import (
+    plot_distance_landscape,
+    plot_distance_matrix,
+    plot_protein_structure_graph,
+    plotly_protein_structure_graph,
+)
+
+try:
+    from .visualisation import plot_chord_diagram
+except ImportError:
+    pass
+
+try:
+    from .meshes import *
+    from .visualisation import plot_pointcloud
+except ImportError:
+    pass
diff --git a/graphein/protein_ligand/config.py b/graphein/protein_ligand/config.py
new file mode 100644
index 000000000..7a080e1cc
--- /dev/null
+++ b/graphein/protein_ligand/config.py
@@ -0,0 +1,220 @@
+"""Base Config object for use with Protein Graph Construction."""
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+from functools import partial
+from pathlib import Path
+from typing import Any, Callable, List, Optional, Union
+
+from deepdiff import DeepDiff
+from pydantic import BaseModel
+from typing_extensions import Literal
+
+from graphein.protein_ligand.edges.distance import add_peptide_bonds
+from graphein.protein_ligand.features.nodes.amino_acid import meiler_embedding
+
+from graphein.protein_ligand.edges.atomic import add_atom_bonds
+from graphein.protein_ligand.edges.distance import (
+    add_distance_threshold_ligand,
+    add_fully_connected_edges_ligand,
+    add_k_nn_edges_ligand,
+    add_fully_connected_edges_protein_ligand,
+    add_k_nn_edges_protein_ligand,
+    add_distance_threshold_protein_ligand,
+)
+from graphein.protein_ligand.features.nodes.atom_type import atom_type_one_hot
+
+from graphein.utils.config import PartialMatchOperator, PathMatchOperator
+
+
+class DSSPConfig(BaseModel):
+    executable: str = "mkdssp"
+
+
+class GetContactsConfig(BaseModel):
+    """
+    Config object for parameters relating to running ``GetContacts``.
+    ``GetContacts`` is an optional dependency from which intramolecular interactions can be computed and used as edges in the graph.
+
+    More information about ``GetContacts`` can be found at https://getcontacts.github.io/
+
+    :param get_contacts_path: Path to ``GetContacts`` installation
+    :type get_contacts_path: pathlib.Path
+    :param contacts_dir: Path to store output of ``GetContacts``
+    :type contacts_dir: pathlib.Path
+    :param pdb_dir: Path to PDB files to be used to compute intramolecular interactions.
+    :type pdb_dir: pathlib.Path
+    :param granularity: Specifies the node types of the graph, defaults to ``"CA"`` for alpha-carbons as nodes. Other options are ``"CB"`` (beta-carbon), ``"atom"`` for all-atom graphs, and ``"centroid"`` for nodes positioned as residue centroids.
+    :type granularity: str
+    """
+
+    get_contacts_path: Path = Path(
+        "/Users/arianjamasb/github/getcontacts/"
+    ).resolve()
+    contacts_dir: Path = Path("../examples/contacts/").resolve()
+    pdb_dir: Path = Path("../examples/pdbs/").resolve()
+    granularity: str = "CA"
+
+
+GraphAtoms = Literal[
+    "N",
+    "CA",
+    "C",
+    "O",
+    "CB",
+    "OG",
+    "CG",
+    "CD1",
+    "CD2",
+    "CE1",
+    "CE2",
+    "CZ",
+    "OD1",
+    "ND2",
+    "CG1",
+    "CG2",
+    "CD",
+    "CE",
+    "NZ",
+    "OD2",
+    "OE1",
+    "NE2",
+    "OE2",
+    "OH",
+    "NE",
+    "NH1",
+    "NH2",
+    "OG1",
+    "SD",
+    "ND1",
+    "SG",
+    "NE1",
+    "CE3",
+    "CZ2",
+    "CZ3",
+    "CH2",
+    "OXT",
+]
+"""Allowable atom types for nodes in the graph."""
+
+GranularityOpts = Literal["atom", "centroids"]
+"""Allowable granularity options for nodes in the graph."""
+
+
+class ProteinLigandGraphConfig(BaseModel):
+    """
+    Config Object for Protein Structure Graph Construction.
+
+    If you encounter a problematic structure, perusing https://www.umass.edu/microbio/chime/pe_beta/pe/protexpl/badpdbs.htm may provide some additional insight.
+    PDBs are notoriously troublesome and this is an excellent overview.
+
+    :param granularity: Controls the granularity of the graph construction. ``"atom"`` builds an atomic-scale graph where
+        nodes are constituent atoms. Residue-level graphs can be build by specifying which constituent atom should
+        represent node positions (see :const:`~graphein.protein.config.GraphAtoms`). Additionally, ``"centroids"`` can be specified to
+        compute the centre of gravity for a given atom (Specified in :const:`~graphein.protein.config.GranularityOpts`).
+        Defaults to ``"CA"`` (alpha-Carbon).
+    :type granularity: str (Union[graphein.protein.config.GraphAtoms, graphein.protein.config.GranularityOpts])
+    :param keep_hets: Controls whether or not heteroatoms are removed from the PDB file. These are typically modified
+        residues, bound ligands, crystallographic adjuvants, ions or water molecules.
+
+        For more information, see: https://proteopedia.org/wiki/index.php/Hetero_atoms
+    :type keep_hets: bool
+    :param insertions: Controls whether or not insertions are allowed.
+    :type insertions: bool
+    :param pdb_dir: Specifies path to download protein structures into.
+    :type pdb_dir: pathlib.Path
+    :param verbose: Specifies verbosity of graph creation process.
+    :type verbose: bool
+    :param exclude_waters: Specifies whether or not water molecules are excluded from the structure
+    :type excluded_waters: bool
+    :param deprotonate: Specifies whether or not to remove ``H`` atoms from the graph.
+    :type deprotonate: bool
+    :param protein_df_processing_functions: List of functions that take a ``pd.DataFrame`` and return a ``pd.DataFrame``.
+        This allows users to define their own series of processing functions for the protein structure DataFrame and
+        override the default sequencing of processing steps provided by Graphein. We refer users to our low-level API
+        tutorial for more details.
+    :type protein_df_processing_functions: Optional[List[Callable]]
+    :param edge_construction_functions: List of functions that take an ``nx.Graph`` and return an ``nx.Graph`` with desired
+        edges added. Prepared edge constructions can be found in :ref:`graphein.protein.edges`
+    :type edge_construction_functions: List[Callable]
+    :param node_metadata_functions: List of functions that take an ``nx.Graph``
+    :type node_metadata_functions: List[Callable], optional
+    :param edge_metadata_functions: List of functions that take an
+    :type edge_metadata_functions: List[Callable], optional
+    :param graph_metadata_functions: List of functions that take an ``nx.Graph`` and return an ``nx.Graph`` with added
+        graph-level features and metadata.
+    :type graph_metadata_functions: List[Callable], optional
+    :param get_contacts_config: Config object containing parameters for running ``GetContacts`` for computing intramolecular
+        contact-based edges. Defaults to None.
+    :type get_contacts_config: GetContactsConfig, optional
+    :param dssp_config: Config Object containing reference to ``DSSP`` executable. Defaults to None.
+        **NB** DSSP must be installed. See installation instructions: https://graphein.ai/getting_started/installation.html#optional-dependencies
+    :type dssp_config: DSSPConfig, optional
+    """
+
+    granularity: Union[GraphAtoms, GranularityOpts] = "CA"
+    keep_hets: bool = False
+    insertions: bool = False
+    pdb_dir: Path = Path(
+        "../examples/pdbs/"
+    )  # Also suggest to avoid hard-coding paths if possible!
+    verbose: bool = False
+    exclude_waters: bool = True
+    deprotonate: bool = False
+    add_hs: bool = False
+
+    # Graph construction functions for protein
+    protein_df_processing_functions: Optional[List[Callable]] = None
+    protein_edge_construction_functions: List[Union[Callable, str]] = [
+        add_peptide_bonds
+    ]
+    protein_node_metadata_functions: Optional[List[Union[Callable, str]]] = [
+        meiler_embedding
+    ]
+    protein_edge_metadata_functions: Optional[List[Union[Callable, str]]] = None
+    graph_metadata_functions: Optional[List[Callable]] = None
+
+    # Graph construction functions for ligand
+    ligand_edge_construction_functions: List[Union[Callable, str]] = [
+        add_fully_connected_edges_ligand,
+        add_k_nn_edges_ligand,
+        add_distance_threshold_ligand,
+        # TODO: infer bond from pdb? do we have to save to pdb and infer bond or better way?
+        # add_atom_bonds,
+    ]
+    ligand_node_metadata_functions: Optional[List[Union[Callable, str]]] = [
+        atom_type_one_hot
+    ]
+    ligand_edge_metadata_functions: Optional[List[Union[Callable, str]]] = None
+
+    # Graph construction functions for protein-ligand
+    protein_ligand_edge_construction_functions: List[Union[Callable, str]] = [
+        add_fully_connected_edges_protein_ligand,
+        add_k_nn_edges_protein_ligand,
+        add_distance_threshold_protein_ligand,
+    ]
+    protein_ligand_edge_metadata_functions: Optional[List[Union[Callable, str]]] = None
+
+    # External Dependency configs
+    get_contacts_config: Optional[GetContactsConfig] = None
+    dssp_config: Optional[DSSPConfig] = None
+
+    def __eq__(self, other: Any) -> bool:
+        """Overwrites the BaseModel __eq__ function in order to check more specific cases (like partial functions)."""
+        if isinstance(other, ProteinLigandGraphConfig):
+            return (
+                DeepDiff(
+                    self,
+                    other,
+                    custom_operators=[
+                        PartialMatchOperator(types=[partial]),
+                        PathMatchOperator(types=[Path]),
+                    ],
+                )
+                == {}
+            )
+        return self.dict() == other
diff --git a/graphein/protein_ligand/edges/__init__.py b/graphein/protein_ligand/edges/__init__.py
new file mode 100644
index 000000000..c8fb6518a
--- /dev/null
+++ b/graphein/protein_ligand/edges/__init__.py
@@ -0,0 +1,3 @@
+from .atomic import *
+from .distance import *
+from .intramolecular import *
diff --git a/graphein/protein_ligand/edges/atomic.py b/graphein/protein_ligand/edges/atomic.py
new file mode 100644
index 000000000..539f95539
--- /dev/null
+++ b/graphein/protein_ligand/edges/atomic.py
@@ -0,0 +1,363 @@
+"""Functions for computing atomic structure of proteins."""
+import logging
+
+# %%
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from typing import Any, Dict
+
+import networkx as nx
+import numpy as np
+import pandas as pd
+
+from graphein.protein.edges.distance import compute_distmat
+from graphein.protein.resi_atoms import (
+    BOND_LENGTHS,
+    BOND_ORDERS,
+    COVALENT_RADII,
+    DEFAULT_BOND_STATE,
+    RESIDUE_ATOM_BOND_STATE,
+)
+
+log = logging.getLogger(__name__)
+
+# Todo dealing with metals
+# Todo There are other check and balances that can be implemented from here: https://www.daylight.com/meetings/mug01/Sayle/m4xbondage.html
+
+def add_atom_bonds(G: nx.Graph) -> nx.Graph:
+    """Adds atomic bonds to a molecular graph.
+
+    :param G: Molecular graph to add atomic bond edges to.
+    :type G: nx.Graph
+    :return: Molecular graph with atomic bonds added.
+    :rtype: nx.Graph
+    """
+    for bond in G.graph["rdmol"].GetBonds():
+        n1, n2 = bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()
+        sym1, sym2 = (
+            G.graph["rdmol"].GetAtoms()[n1].GetSymbol(),
+            G.graph["rdmol"].GetAtoms()[n2].GetSymbol(),
+        )
+        n1 = f"{sym1}:{str(n1)}"
+        n2 = f"{sym2}:{str(n2)}"
+        if G.has_edge(n1, n2):
+            G.edges[n1, n2]["kind"].add("bond")
+            G.edges[n1, n2]["bond"] = bond
+        else:
+            G.add_edge(n1, n2, kind={"bond"}, bond=bond)
+    return G
+
+def assign_bond_states_to_dataframe(df: pd.DataFrame) -> pd.DataFrame:
+    """
+    Takes a ``PandasPDB`` atom dataframe and assigns bond states to each atom based on:
+
+        Atomic Structures of all the Twenty Essential Amino Acids and a Tripeptide, with Bond Lengths as Sums of Atomic Covalent Radii
+        Heyrovska, 2008
+
+    First, maps atoms to their standard bond states (:const:`~graphein.protein.resi_atoms.DEFAULT_BOND_STATE`).
+    Second, maps non-standard bonds states (:const:`~graphein.protein.resi_atoms.RESIDUE_ATOM_BOND_STATE`).
+    Fills NaNs with standard bond states.
+
+    :param df: Pandas PDB dataframe
+    :type df: pd.DataFrame
+    :return: Dataframe with added ``atom_bond_state`` column
+    :rtype: pd.DataFrame
+    """
+
+    # Map atoms to their standard bond states
+    naive_bond_states = pd.Series(df["atom_name"].map(DEFAULT_BOND_STATE))
+
+    # Create series of bond states for the non-standard states
+    ss = (
+        pd.DataFrame(RESIDUE_ATOM_BOND_STATE)
+        .unstack()
+        .rename_axis(("residue_name", "atom_name"))
+        .rename("atom_bond_state")
+    )
+
+    # Map non-standard states to the dataframe based on the residue and atom name
+    df = df.join(ss, on=["residue_name", "atom_name"])
+
+    # Fill the NaNs with the standard states
+    df = df.fillna(value={"atom_bond_state": naive_bond_states})
+
+    return df
+
+
+def assign_covalent_radii_to_dataframe(df: pd.DataFrame) -> pd.DataFrame:
+    """
+    Assigns covalent radius (:const:`~graphein.protein.resi_atoms.COVALENT_RADII`) to each atom based on its bond state. Adds a ``covalent_radius`` column. Using values from:
+
+        Atomic Structures of all the Twenty Essential Amino Acids and a Tripeptide, with Bond Lengths as Sums of Atomic Covalent Radii
+        Heyrovska, 2008
+
+    :param df: Pandas PDB dataframe with a ``bond_states_column``
+    :type df: pd.DataFrame
+    :return: Pandas PDB dataframe with added ``covalent_radius`` column
+    :rtype: pd.DataFrame
+    """
+    # Assign covalent radius to each atom
+    df["covalent_radius"] = df["atom_bond_state"].map(COVALENT_RADII)
+
+    return df
+
+
+def add_atomic_edges(G: nx.Graph, tolerance: float = 0.56) -> nx.Graph:
+    """
+    Computes covalent edges based on atomic distances. Covalent radii are assigned to each atom based on its bond assign_bond_states_to_dataframe
+    The distance matrix is then thresholded to entries less than this distance plus some tolerance to create an adjacency matrix.
+    This adjacency matrix is then parsed into an edge list and covalent edges added
+
+    :param G: Atomic graph (nodes correspond to atoms) to populate with atomic bonds as edges
+    :type G: nx.Graph
+    :param tolerance: Tolerance for atomic distance. Default is ``0.56`` Angstroms. Commonly used values are: ``0.4, 0.45, 0.56``
+    :type tolerance: float
+    :return: Atomic graph with edges between bonded atoms added
+    :rtype: nx.Graph
+    """
+    dist_mat = compute_distmat(G.graph["pdb_df"])
+
+    # We assign bond states to the dataframe, and then map these to covalent radii
+    G.graph["pdb_df"] = assign_bond_states_to_dataframe(G.graph["pdb_df"])
+    G.graph["pdb_df"] = assign_covalent_radii_to_dataframe(G.graph["pdb_df"])
+
+    # Create a covalent 'distance' matrix by adding the radius arrays with its transpose
+    covalent_radius_distance_matrix = np.add(
+        np.array(G.graph["pdb_df"]["covalent_radius"]).reshape(-1, 1),
+        np.array(G.graph["pdb_df"]["covalent_radius"]).reshape(1, -1),
+    )
+
+    # Add the tolerance
+    covalent_radius_distance_matrix = (
+        covalent_radius_distance_matrix + tolerance
+    )
+
+    # Threshold Distance Matrix to entries where the eucl distance is less than the covalent radius plus tolerance and larger than 0.4
+    dist_mat = dist_mat[dist_mat > 0.4]
+    t_distmat = dist_mat[dist_mat < covalent_radius_distance_matrix]
+
+    # Store atomic adjacency matrix in graph
+    G.graph["atomic_adj_mat"] = np.nan_to_num(t_distmat)
+
+    # Get node IDs from non NaN entries in the thresholded distance matrix and add the edge to the graph
+    inds = zip(*np.where(~np.isnan(t_distmat)))
+    for i in inds:
+        length = t_distmat[i[0]][i[1]]
+        node_1 = G.graph["pdb_df"]["node_id"][i[0]]
+        node_2 = G.graph["pdb_df"]["node_id"][i[1]]
+        chain_1 = G.graph["pdb_df"]["chain_id"][i[0]]
+        chain_2 = G.graph["pdb_df"]["chain_id"][i[1]]
+
+        # Check nodes are in graph
+        if not (G.has_node(node_1) and G.has_node(node_2)):
+            continue
+
+        # Check atoms are in the same chain
+        if not (chain_1 and chain_2):
+            continue
+
+        if G.has_edge(node_1, node_2):
+            G.edges[node_1, node_2]["kind"].add("covalent")
+            G.edges[node_1, node_2]["bond_length"] = length
+        else:
+            G.add_edge(node_1, node_2, kind={"covalent"}, bond_length=length)
+
+    # Todo checking degree against MAX_NEIGHBOURS
+
+    return G
+
+
+def add_ring_status(G: nx.Graph) -> nx.Graph:
+    """
+    Identifies rings in the atomic graph. Assigns the edge attribute ``"RING"`` to edges in the ring. We do not distinguish
+    between aromatic and non-aromatic rings. Functions by identifying all cycles in the graph.
+
+    :param G: Atom-level protein structure graph to add ring edge types to
+    :type G: nx.Graph
+    :return: Atom-level protein structure graph with added ``"RING"`` edge attribute
+    :rtype: nx.Graph
+    """
+    cycles = nx.cycle_basis(
+        G
+    )  # Produces a list of lists containing nodes in each cycle
+    # Iterate over cycles, check for an edge between the nodes - if there is one, add a "RING" attribute
+    for cycle in cycles:
+        [
+            G.edges[x, y]["kind"].add("RING")
+            for i, x in enumerate(cycle)
+            for j, y in enumerate(cycle)
+            if G.has_edge(x, y)
+            if i != j
+        ]
+
+    return G
+
+
+def add_bond_order(G: nx.Graph) -> nx.Graph:
+    """
+    Assign bond orders to the covalent bond edges between atoms on the basis of bond length. Values are taken from:
+
+        Automatic Assignment of Chemical Connectivity to Organic Molecules in the Cambridge Structural Database.
+        Jon C. Baber and Edward E. Hodgkin*
+
+    :param G: Atomic-level protein graph with covalent edges.
+    :type G: nx.Graph
+    :return: Atomic-level protein graph with covalent edges annotated with putative bond order.
+    :rtype: mx.Graph
+    """
+    for u, v, a in G.edges(data=True):
+        atom_a = G.nodes[u]["element_symbol"]
+        atom_b = G.nodes[v]["element_symbol"]
+
+        # Assign bonds with hydrogens to 1
+        if atom_a == "H" or atom_b == "H":
+            G.edges[u, v]["kind"].add("SINGLE")
+        # If not, we need to identify the bond type from the bond length
+        else:
+            query = f"{atom_a}-{atom_b}"
+            # We need this try block as the dictionary keys may be X-Y, whereas the query we construct may be Y-X
+            try:
+                identify_bond_type_from_mapping(G, u, v, a, query)
+            except KeyError:
+                query = f"{atom_b}-{atom_a}"
+                try:
+                    identify_bond_type_from_mapping(G, u, v, a, query)
+                except KeyError:
+                    log.debug(
+                        f"Could not identify bond type for {query}. Adding a single bond."
+                    )
+                    G.edges[u, v]["kind"].add("SINGLE")
+
+    return G
+
+
+def identify_bond_type_from_mapping(
+    G: nx.Graph, u: str, v: str, a: Dict[str, Any], query: str
+):
+    """
+    Compares the bond length between two atoms in the graph, and the relevant experimental value by performing a lookup
+    against the watershed values in:
+
+        Automatic Assignment of Chemical Connectivity to Organic Molecules in the Cambridge
+        Structural Database. Jon C. Baber and Edward E. Hodgkin*
+
+    Bond orders are assigned in the order ``triple`` < ``double`` < ``single`` (e.g. if a bond is shorter than the triple bond
+    watershed (``w_dt``) then it is assigned as a triple bond. Similarly, if a bond is longer than this but shorter than the
+    double bond watershed (``w_sd``), it is assigned double bond status.
+
+    :param G: ``nx.Graph`` of atom-protein structure with atomic edges added
+    :type G: nx.Graph
+    :param u: node 1 in edge
+    :type u: str
+    :param v: node 2 in edge
+    :type v: str
+    :param a: edge data
+    :type a: Dict[str, Any]
+    :param query: ``"ELEMENTX-ELEMENTY"`` to perform lookup with (E.g. ``"C-O"``,``"N-N"``)
+    :type query: str
+    :return: Graph with atomic edge bond order assigned
+    :rtype: nx.Graph
+    """
+    # Perform lookup of allowable bond orders for the given atom pair
+    allowable_order = BOND_ORDERS[query]
+    # If max double, compare the length to the double watershed distance, w_sd, else assign single
+    if len(allowable_order) == 2:
+        if a["bond_length"] < BOND_LENGTHS[query]["w_sd"]:
+            G.edges[u, v]["kind"].add("DOUBLE")
+        else:
+            G.edges[u, v]["kind"].add("SINGLE")
+    else:
+        # If max triple, compare the length to the triple watershed distance, w_dt, then double, else assign single
+        if a["bond_length"] < BOND_LENGTHS[query]["w_dt"]:
+            G.edges[u, v]["kind"].add("TRIPLE")
+        elif a["bond_length"] < BOND_LENGTHS[query]["w_sd"]:
+            G.edges[u, v]["kind"].add("DOUBLE")
+        else:
+            G.edges[u, v]["kind"].add("SINGLE")
+    return G
+
+
+# The codeblock below was used in an initial pass at solving the bond order assignment problem based on hybridisation state.
+# We instead use a simpler method of construction based on bond lengths, but I am loathe to remove this code as it may prove useful later
+"""
+def cosinus(x0, x1, x2):
+    e0 = x0 - x1
+    e1 = x2 - x1
+    e0 = e0 / np.linalg.norm(e0)
+    e1 = e1 / np.linalg.norm(e1)
+    cosinus = np.dot(e0, e1)
+    angle = np.arccos(cosinus)
+
+    return 180 - np.degrees(angle)
+
+
+def dihedral(x0, x1, x2, x3):
+    b0 = -1.0 * (x1 - x0)
+    b1 = x2 - x1
+    b2 = x3 - x2
+
+    b0xb1 = np.cross(b0, b1)
+    b1xb2 = np.cross(b2, b1)
+
+    b0xb1_x_b1xb2 = np.cross(b0xb1, b1xb2)
+
+    y = np.dot(b0xb1_x_b1xb2, b1) * (1.0 / np.linalg.norm(b1))
+    x = np.dot(b0xb1, b1xb2)
+
+    grad = 180 - np.degrees(np.arctan2(y, x))
+    return grad
+
+
+def assign_bond_orders(G: nx.Graph) -> nx.Graph:
+
+    bond_angles: Dict[str, float] = {}
+    for n, d in G.nodes(data=True):
+        neighbours = list(G.neighbors(n))
+
+        if len(neighbours) == 1:
+            G.edges[n, neighbours[0]]["kind"].add("SINGLE")
+            bond_angles[n] = 0.0
+        elif len(neighbours) == 2:
+            cos_angle = cosinus(
+                G.nodes[n]["coords"],
+                G.nodes[neighbours[0]]["coords"],
+                G.nodes[neighbours[1]]["coords"],
+            )
+            bond_angles[n] = cos_angle
+        elif len(neighbours) == 3:
+            dihed = dihedral(
+                G.nodes[n]["coords"],
+                G.nodes[neighbours[0]]["coords"],
+                G.nodes[neighbours[1]]["coords"],
+                G.nodes[neighbours[2]]["coords"],
+            )
+            bond_angles[n] = dihed
+
+    print(bond_angles)
+
+    # Assign Bond angles to dataframe
+    G.graph["pdb_df"]["bond_angles"] = G.graph["pdb_df"]["node_id"].map(
+        bond_angles
+    )
+    print(G.graph["pdb_df"].to_string())
+
+    # Assign Hybridisation state from Bond Angles
+    hybridisation_state = {
+        n: "sp"
+        if d > 155
+        else "sp2"
+        if d > 115
+        else "sp3"
+        if d <= 115
+        else "UNK"
+        for n, d in bond_angles.items()
+    }
+    G.graph["pdb_df"]["bond_angles"] = G.graph["pdb_df"]["node_id"].map(
+        hybridisation_state
+    )
+
+    return G
+"""
diff --git a/graphein/protein_ligand/edges/distance.py b/graphein/protein_ligand/edges/distance.py
new file mode 100644
index 000000000..dcf4a7301
--- /dev/null
+++ b/graphein/protein_ligand/edges/distance.py
@@ -0,0 +1,949 @@
+"""Functions for computing biochemical edges of graphs."""
+
+# Graphein
+# Author: Eric Ma, Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+import itertools
+import logging
+from typing import Union
+
+import networkx as nx
+import numpy as np
+import pandas as pd
+from sklearn.metrics import pairwise_distances
+from sklearn.neighbors import kneighbors_graph
+from scipy.spatial.distance import cdist
+
+from graphein.protein.resi_atoms import (
+    AA_RING_ATOMS,
+    AROMATIC_RESIS,
+    BACKBONE_ATOMS,
+    BOND_TYPES,
+    CATION_PI_RESIS,
+    CATION_RESIS,
+    DISULFIDE_ATOMS,
+    DISULFIDE_RESIS,
+    HYDROPHOBIC_RESIS,
+    IONIC_RESIS,
+    NEG_AA,
+    PI_RESIS,
+    POS_AA,
+)
+from graphein.protein.utils import filter_dataframe
+
+log = logging.getLogger(__name__)
+
+
+def compute_distmat(coords: np.ndarray) -> np.ndarray:
+    """
+    Compute pairwise euclidean distances between every atom.
+
+    Design choice: passed in a DataFrame to enable easier testing on
+    dummy data.
+
+    :param coords: pd.Dataframe containing molecule structure. Must contain columns ``["x_coord", "y_coord", "z_coord"]``.
+    :type coords: pd.DataFrame
+    :return: np.ndarray of euclidean distance matrix.
+    :rtype: np.ndarray
+    """
+    return pairwise_distances(coords, metric="euclidean")
+
+
+def get_interacting_atoms(angstroms: float, distmat: np.ndarray) -> np.ndarray:
+    """Find the atoms that are within a particular radius of one another.
+
+    :param angstroms: Radius in angstroms.
+    :type angstroms: float
+    :param distmat: Distance matrix.
+    :type distmat: np.ndarray
+    :returns: Array of interacting atoms
+    :rtype: np.ndarray
+    """
+    return np.where(distmat <= angstroms)
+
+
+def add_distance_threshold_ligand(G: nx.Graph, threshold: float = 5.0):
+    """
+    Adds edges to any nodes within a given distance of each other.
+
+    :param G: molecule structure graph to add distance edges to
+    :type G: nx.Graph
+    :param threshold: Distance in angstroms, below which two nodes are connected.
+    :type threshold: float
+    :return: Graph with distance-based edges added
+    """
+    for idx, ligand in enumerate(G.graph["ligands_df"]):
+        dist_mat = compute_distmat(G.graph["ligands_coords"][idx])
+        
+        interacting_nodes = get_interacting_atoms(threshold, distmat=dist_mat)
+        outgoing = [list(G.nodes())[i] for i in interacting_nodes[0]]
+        incoming = [list(G.nodes())[i] for i in interacting_nodes[1]]
+        interacting_nodes = list(zip(outgoing, incoming))
+
+        log.info(
+            f"Found: {len(interacting_nodes)} distance edges for radius {threshold}"
+        )
+        for n1, n2 in interacting_nodes:
+            if G.has_edge(n1, n2):
+                G.edges[n1, n2]["kind"].add("ligand_distance_threshold")
+            else:
+                G.add_edge(n1, n2, kind={"ligand_distance_threshold"})
+        
+
+def add_fully_connected_edges_ligand(
+    G: nx.Graph,
+):
+    """
+    Adds fully connected edges to nodes.
+
+    :param G: Molecule structure graph to add distance edges to.
+    :type G: nx.Graph
+    """
+
+    for ligand in G.graph["ligands_df"]:
+        for n1, n2 in itertools.product(ligand["node_id"], ligand["node_id"]):
+            if G.has_edge(n1, n2):
+                G.edges[n1, n2]["kind"].add("ligand_fully_connected")
+            else:
+                G.add_edge(n1, n2, kind={"ligand_fully_connected"})
+
+
+def add_k_nn_edges_ligand(
+    G: nx.Graph,
+    k: int = 1,
+    mode: str = "connectivity",
+    metric: str = "minkowski",
+    p: int = 2,
+    include_self: Union[bool, str] = False,
+):
+    """
+    Adds edges to nodes based on K nearest neighbours.
+
+    :param G: Molecule structure graph to add distance edges to.
+    :type G: nx.Graph
+    :param k: Number of neighbors for each sample.
+    :type k: int
+    :param mode: Type of returned matrix: ``"connectivity"`` will return the connectivity matrix with ones and zeros,
+        and ``"distance"`` will return the distances between neighbors according to the given metric.
+    :type mode: str
+    :param metric: The distance metric used to calculate the k-Neighbors for each sample point.
+        The DistanceMetric class gives a list of available metrics.
+        The default distance is ``"euclidean"`` (``"minkowski"`` metric with the ``p`` param equal to ``2``).
+    :type metric: str
+    :param p: Power parameter for the Minkowski metric. When ``p = 1``, this is equivalent to using ``manhattan_distance`` (l1),
+        and ``euclidean_distance`` (l2) for ``p = 2``. For arbitrary ``p``, ``minkowski_distance`` (l_p) is used. Default is ``2`` (euclidean).
+    :type p: int
+    :param include_self: Whether or not to mark each sample as the first nearest neighbor to itself.
+        If ``"auto"``, then ``True`` is used for ``mode="connectivity"`` and ``False`` for ``mode="distance"``. Default is ``False``.
+    :type include_self: Union[bool, str]
+    :return: Graph with knn-based edges added.
+    :rtype: nx.Graph
+    """
+    for idx, ligand in enumerate(G.graph["ligands_df"]):
+        dist_mat = compute_distmat(G.graph["ligands_coords"][idx])
+        nn = kneighbors_graph(
+            X=dist_mat,
+            n_neighbors=k,
+            mode=mode,
+            metric=metric,
+            p=p,
+            include_self=include_self,
+        )
+        # Create iterable of node indices
+        outgoing = np.repeat(np.array(range(len(G.graph["ligands_coords"][idx]))), k)
+        outgoing = [list(G.nodes())[i] for i in outgoing]
+        incoming = [list(G.nodes())[i] for i in nn.indices]
+        interacting_nodes = list(zip(outgoing, incoming))
+        log.info(f"Found: {len(interacting_nodes)} KNN edges")
+        for n1, n2 in interacting_nodes:
+            if G.has_edge(n1, n2):
+                G.edges[n1, n2]["kind"].add(f"ligand_k_nn_{k}")
+            else:
+                G.add_edge(n1, n2, kind={f"ligand_k_nn_{k}"})
+
+
+def add_distance_threshold_protein_ligand(G: nx.Graph, threshold: float = 5.0):
+    """
+    Adds edges to any nodes within a given distance of each other.
+
+    :param G: molecule structure graph to add distance edges to
+    :type G: nx.Graph
+    :param threshold: Distance in angstroms, below which two nodes are connected.
+    :type threshold: float
+    :return: Graph with distance-based edges added
+    """
+
+    for idx, ligand in enumerate(G.graph["ligands_coords"]):        
+        dist_mat = cdist(G.graph["protein_coords"], ligand)
+        interacting_nodes = get_interacting_atoms(threshold, distmat=dist_mat)
+        outgoing = [list(G.nodes())[i] for i in interacting_nodes[0]]
+        incoming = [G.graph["ligands_df"][idx].iloc[i]["node_id"] for i in interacting_nodes[1]]
+        interacting_nodes = list(zip(outgoing, incoming))
+
+        log.info(
+            f"Found: {len(interacting_nodes)} distance edges for radius {threshold}"
+        )
+        for n1, n2 in interacting_nodes:
+            if G.has_edge(n1, n2):
+                G.edges[n1, n2]["kind"].add("protein_ligand_distance_threshold")
+            else:
+                G.add_edge(n1, n2, kind={"protein_ligand_distance_threshold"})
+
+
+def add_fully_connected_edges_protein_ligand(
+    G: nx.Graph,
+):
+    """
+    Adds fully connected edges to nodes.
+
+    :param G: Molecule structure graph to add distance edges to.
+    :type G: nx.Graph
+    """
+
+    for ligand in G.graph["ligands_df"]:
+        for n1, n2 in itertools.product(G.graph["protein_df"]["node_id"], ligand["node_id"]):
+            if G.has_edge(n1, n2):
+                G.edges[n1, n2]["kind"].add("protein_ligand_fully_connected")
+            else:
+                G.add_edge(n1, n2, kind={"protein_ligand_fully_connected"})
+
+# TODO: knn select neighbors based on distance between the node with other nodes, rather than pure distance
+# it sounds okay but not fit for protein_ligand knn since we are generating edge cross protein and ligand not only in one side
+def add_k_nn_edges_protein_ligand(
+    G: nx.Graph,
+    k: int = 1,
+    mode: str = "connectivity",
+    metric: str = "minkowski",
+    p: int = 2,
+    include_self: Union[bool, str] = False,
+):
+    """
+    Adds edges to nodes based on K nearest neighbours.
+
+    :param G: Molecule structure graph to add distance edges to.
+    :type G: nx.Graph
+    :param k: Number of neighbors for each sample.
+    :type k: int
+    :param mode: Type of returned matrix: ``"connectivity"`` will return the connectivity matrix with ones and zeros,
+        and ``"distance"`` will return the distances between neighbors according to the given metric.
+    :type mode: str
+    :param metric: The distance metric used to calculate the k-Neighbors for each sample point.
+        The DistanceMetric class gives a list of available metrics.
+        The default distance is ``"euclidean"`` (``"minkowski"`` metric with the ``p`` param equal to ``2``).
+    :type metric: str
+    :param p: Power parameter for the Minkowski metric. When ``p = 1``, this is equivalent to using ``manhattan_distance`` (l1),
+        and ``euclidean_distance`` (l2) for ``p = 2``. For arbitrary ``p``, ``minkowski_distance`` (l_p) is used. Default is ``2`` (euclidean).
+    :type p: int
+    :param include_self: Whether or not to mark each sample as the first nearest neighbor to itself.
+        If ``"auto"``, then ``True`` is used for ``mode="connectivity"`` and ``False`` for ``mode="distance"``. Default is ``False``.
+    :type include_self: Union[bool, str]
+    :return: Graph with knn-based edges added.
+    :rtype: nx.Graph
+    """
+
+    for ligand in G.graph["ligands_coords"]:        
+        dist_mat = cdist(G.graph["protein_coords"], ligand)
+
+        nn = kneighbors_graph(
+            X=dist_mat,
+            n_neighbors=k,
+            mode=mode,
+            metric=metric,
+            p=p,
+            include_self=include_self,
+        )
+
+        # Create iterable of node indices
+        outgoing = np.repeat(np.array(range(len(G.graph["protein_coords"]))), k)
+        outgoing = [list(G.nodes())[i] for i in outgoing]
+        incoming = [list(G.nodes())[i] for i in nn.indices]
+        interacting_nodes = list(zip(outgoing, incoming))
+        log.info(f"Found: {len(interacting_nodes)} KNN edges")
+        for n1, n2 in interacting_nodes:
+            if G.has_edge(n1, n2):
+                G.edges[n1, n2]["kind"].add(f"protein_ligand_k_nn_{k}")
+            else:
+                G.add_edge(n1, n2, kind={f"protein_ligand_k_nn_{k}"})
+
+def add_sequence_distance_edges(
+    G: nx.Graph, d: int, name: str = "sequence_edge"
+) -> nx.Graph:
+    """
+    Adds edges based on sequence distance to residues in each chain.
+
+    Eg. if ``d=6`` then we join: nodes ``(1,7), (2,8), (3,9)..`` based on their sequence number.
+
+    :param G: networkx protein graph.
+    :type G: nx.Graph
+    :param d: Sequence separation to add edges on.
+    :param name: Name of the edge type. Defaults to ``"sequence_edge"``.
+    :type name: str
+    :return G: networkx protein graph with added peptide bonds.
+    :rtype: nx.Graph
+    """
+    print(len(G))
+    # Iterate over every chain
+    for chain_id in G.graph["chain_ids"]:
+
+        # Find chain residues
+        chain_residues = [
+            (n, v) for n, v in G.nodes(data=True) if "chain_id" in v and v["chain_id"] == chain_id
+        ]
+
+        # Iterate over every residue in chain
+        for i, residue in enumerate(chain_residues):
+            try:
+                # Checks not at chain terminus - is this versatile enough?
+                if i == len(chain_residues) - d:
+                    continue
+                # Asserts residues are on the same chain
+                cond_1 = (
+                    residue[1]["chain_id"]
+                    == chain_residues[i + d][1]["chain_id"]
+                )
+                # Asserts residue numbers are adjacent
+                cond_2 = (
+                    abs(
+                        residue[1]["residue_number"]
+                        - chain_residues[i + d][1]["residue_number"]
+                    )
+                    == d
+                )
+
+                # If this checks out, we add a peptide bond
+                if (cond_1) and (cond_2):
+                    # Adds "peptide bond" between current residue and the next
+                    if G.has_edge(i, i + d):
+                        G.edges[i, i + d]["kind"].add(name)
+                    else:
+                        G.add_edge(
+                            residue[0],
+                            chain_residues[i + d][0],
+                            kind={name},
+                        )
+            except IndexError:
+                continue
+    return G
+
+
+def add_peptide_bonds(G: nx.Graph) -> nx.Graph:
+    """
+    Adds peptide backbone as edges to residues in each chain.
+
+    :param G: networkx protein graph.
+    :type G: nx.Graph
+    :return G: networkx protein graph with added peptide bonds.
+    :rtype: nx.Graph
+    """
+    return add_sequence_distance_edges(G, d=1, name="peptide_bond")
+
+
+def add_hydrophobic_interactions(
+    G: nx.Graph, rgroup_df: Optional[pd.DataFrame] = None
+):
+    """
+    Find all hydrophobic interactions.
+
+    Performs searches between the following residues:
+    ``[ALA, VAL, LEU, ILE, MET, PHE, TRP, PRO, TYR]`` (:const:`~graphein.protein.resi_atoms.HYDROPHOBIC_RESIS`).
+
+    Criteria: R-group residues are within 5A distance.
+
+    :param G: nx.Graph to add hydrophobic interactions to.
+    :type G: nx.Graph
+    :param rgroup_df: Optional dataframe of R-group atoms.
+    :type rgroup_df: pd.DataFrame, optional
+    """
+    if rgroup_df is None:
+        rgroup_df = G.graph["rgroup_df"]
+    hydrophobics_df = filter_dataframe(
+        rgroup_df, "residue_name", HYDROPHOBIC_RESIS, True
+    )
+    hydrophobics_df = filter_dataframe(
+        hydrophobics_df, "node_id", list(G.nodes()), True
+    )
+    distmat = compute_distmat(hydrophobics_df)
+    interacting_atoms = get_interacting_atoms(5, distmat)
+    add_interacting_resis(
+        G, interacting_atoms, hydrophobics_df, ["hydrophobic"]
+    )
+
+
+def add_disulfide_interactions(
+    G: nx.Graph, rgroup_df: Optional[pd.DataFrame] = None
+):
+    """
+    Find all disulfide interactions between CYS residues (:const:`~graphein.protein.resi_atoms.DISULFIDE_RESIS`, :const:`~graphein.protein.resi_atoms.DISULFIDE_ATOMS`).
+
+    Criteria: sulfur atom pairs are within 2.2A of each other.
+
+    :param G: networkx protein graph
+    :type G: nx.Graph
+    :param rgroup_df: pd.DataFrame containing rgroup data, defaults to None, which retrieves the df from the provided nx graph.
+    :type rgroup_df: pd.DataFrame, optional
+    """
+    # Check for existence of at least two Cysteine residues
+    residues = [d["residue_name"] for _, d in G.nodes(data=True)]
+    if residues.count("CYS") < 2:
+        log.debug(
+            f"{residues.count('CYS')} CYS residues found. Cannot add disulfide interactions with fewer than two CYS residues."
+        )
+        return
+
+    if rgroup_df is None:
+        rgroup_df = G.graph["rgroup_df"]
+    disulfide_df = filter_dataframe(
+        rgroup_df, "residue_name", DISULFIDE_RESIS, True
+    )
+    disulfide_df = filter_dataframe(
+        disulfide_df, "atom_name", DISULFIDE_ATOMS, True
+    )
+    distmat = compute_distmat(disulfide_df)
+    interacting_atoms = get_interacting_atoms(2.2, distmat)
+    add_interacting_resis(G, interacting_atoms, disulfide_df, ["disulfide"])
+
+
+def add_hydrogen_bond_interactions(
+    G: nx.Graph, rgroup_df: Optional[pd.DataFrame] = None
+):
+    """Add all hydrogen-bond interactions."""
+    # For these atoms, find those that are within 3.5A of one another.
+    if rgroup_df is None:
+        rgroup_df = G.graph["rgroup_df"]
+    rgroup_df = filter_dataframe(rgroup_df, "node_id", list(G.nodes()), True)
+    HBOND_ATOMS = [
+        "ND",  # histidine and asparagine
+        "NE",  # glutamate, tryptophan, arginine, histidine
+        "NH",  # arginine
+        "NZ",  # lysine
+        "OD1",
+        "OD2",
+        "OE",
+        "OG",
+        "OH",
+        "SD",  # cysteine
+        "SG",  # methionine
+        "N",
+        "O",
+    ]
+    hbond_df = filter_dataframe(rgroup_df, "atom_name", HBOND_ATOMS, True)
+    if len(hbond_df.index) > 0:
+        distmat = compute_distmat(hbond_df)
+        interacting_atoms = get_interacting_atoms(3.5, distmat)
+        add_interacting_resis(G, interacting_atoms, hbond_df, ["hbond"])
+
+    # For these atoms, find those that are within 4.0A of one another.
+    HBOND_ATOMS_SULPHUR = ["SD", "SG"]
+    hbond_df = filter_dataframe(
+        rgroup_df, "atom_name", HBOND_ATOMS_SULPHUR, True
+    )
+    if len(hbond_df.index) > 0:
+        distmat = compute_distmat(hbond_df)
+        interacting_atoms = get_interacting_atoms(4.0, distmat)
+        add_interacting_resis(G, interacting_atoms, hbond_df, ["hbond"])
+
+
+def add_ionic_interactions(
+    G: nx.Graph, rgroup_df: Optional[pd.DataFrame] = None
+):
+    """
+    Find all ionic interactions.
+
+    Criteria: ``[ARG, LYS, HIS, ASP, and GLU]`` (:const:`~graphein.protein.resi_atoms.IONIC_RESIS`) residues are within 6A.
+    We also check for opposing charges (:const:`~graphein.protein.resi_atoms.POS_AA`, :const:`~graphein.protein.resi_atoms.NEG_AA`)
+    """
+    if rgroup_df is None:
+        rgroup_df = G.graph["rgroup_df"]
+    ionic_df = filter_dataframe(rgroup_df, "residue_name", IONIC_RESIS, True)
+    ionic_df = filter_dataframe(rgroup_df, "node_id", list(G.nodes()), True)
+    distmat = compute_distmat(ionic_df)
+    interacting_atoms = get_interacting_atoms(6, distmat)
+    add_interacting_resis(G, interacting_atoms, ionic_df, ["ionic"])
+    # Check that the interacting residues are of opposite charges
+    for r1, r2 in get_edges_by_bond_type(G, "ionic"):
+        condition1 = (
+            G.nodes[r1]["residue_name"] in POS_AA
+            and G.nodes[r2]["residue_name"] in NEG_AA
+        )
+
+        condition2 = (
+            G.nodes[r2]["residue_name"] in POS_AA
+            and G.nodes[r1]["residue_name"] in NEG_AA
+        )
+
+        is_ionic = condition1 or condition2
+        if not is_ionic:
+            G.edges[r1, r2]["kind"].remove("ionic")
+            if len(G.edges[r1, r2]["kind"]) == 0:
+                G.remove_edge(r1, r2)
+
+
+def add_aromatic_interactions(
+    G: nx.Graph, pdb_df: Optional[pd.DataFrame] = None
+):
+    """
+    Find all aromatic-aromatic interaction.
+
+    Criteria: phenyl ring centroids separated between 4.5A to 7A.
+    Phenyl rings are present on ``PHE, TRP, HIS, TYR`` (:const:`~graphein.protein.resi_atoms.AROMATIC_RESIS`).
+    Phenyl ring atoms on these amino acids are defined by the following
+    atoms:
+    - PHE: CG, CD, CE, CZ
+    - TRP: CD, CE, CH, CZ
+    - HIS: CG, CD, ND, NE, CE
+    - TYR: CG, CD, CE, CZ
+    Centroids of these atoms are taken by taking:
+        (mean x), (mean y), (mean z)
+    for each of the ring atoms.
+    Notes for future self/developers:
+    - Because of the requirement to pre-compute ring centroids, we do not
+        use the functions written above (filter_dataframe, compute_distmat,
+        get_interacting_atoms), as they do not return centroid atom
+        euclidean coordinates.
+    """
+    if pdb_df is None:
+        pdb_df = G.graph["raw_pdb_df"]
+    dfs = []
+    for resi in AROMATIC_RESIS:
+        resi_rings_df = get_ring_atoms(pdb_df, resi)
+        resi_rings_df = filter_dataframe(
+            resi_rings_df, "node_id", list(G.nodes()), True
+        )
+        resi_centroid_df = get_ring_centroids(resi_rings_df)
+        dfs.append(resi_centroid_df)
+    aromatic_df = (
+        pd.concat(dfs).sort_values(by="node_id").reset_index(drop=True)
+    )
+    distmat = compute_distmat(aromatic_df)
+    distmat.set_index(aromatic_df["node_id"], inplace=True)
+    distmat.columns = aromatic_df["node_id"]
+    distmat = distmat[(distmat >= 4.5) & (distmat <= 7)].fillna(0)
+    indices = np.where(distmat > 0)
+
+    interacting_resis = [
+        (distmat.index[r], distmat.index[c])
+        for r, c in zip(indices[0], indices[1])
+    ]
+    log.info(f"Found: {len(interacting_resis)} aromatic-aromatic interactions")
+    for n1, n2 in interacting_resis:
+        assert G.nodes[n1]["residue_name"] in AROMATIC_RESIS
+        assert G.nodes[n2]["residue_name"] in AROMATIC_RESIS
+        if G.has_edge(n1, n2):
+            G.edges[n1, n2]["kind"].add("aromatic")
+        else:
+            G.add_edge(n1, n2, kind={"aromatic"})
+
+
+def add_aromatic_sulphur_interactions(
+    G: nx.Graph, rgroup_df: Optional[pd.DataFrame] = None
+):
+    """Find all aromatic-sulphur interactions."""
+    if rgroup_df is None:
+        rgroup_df = G.graph["rgroup_df"]
+    RESIDUES = ["MET", "CYS", "PHE", "TYR", "TRP"]
+    SULPHUR_RESIS = ["MET", "CYS"]
+    AROMATIC_RESIS = ["PHE", "TYR", "TRP"]
+
+    aromatic_sulphur_df = filter_dataframe(
+        rgroup_df, "residue_name", RESIDUES, True
+    )
+    aromatic_sulphur_df = filter_dataframe(
+        aromatic_sulphur_df, "node_id", list(G.nodes()), True
+    )
+    distmat = compute_distmat(aromatic_sulphur_df)
+    interacting_atoms = get_interacting_atoms(5.3, distmat)
+    interacting_atoms = list(zip(interacting_atoms[0], interacting_atoms[1]))
+
+    for (a1, a2) in interacting_atoms:
+        resi1 = aromatic_sulphur_df.loc[a1, "node_id"]
+        resi2 = aromatic_sulphur_df.loc[a2, "node_id"]
+
+        condition1 = resi1 in SULPHUR_RESIS and resi2 in AROMATIC_RESIS
+        condition2 = resi1 in AROMATIC_RESIS and resi2 in SULPHUR_RESIS
+
+        if (condition1 or condition2) and resi1 != resi2:
+            if G.has_edge(resi1, resi2):
+                G.edges[resi1, resi2]["kind"].add("aromatic_sulphur")
+            else:
+                G.add_edge(resi1, resi2, kind={"aromatic_sulphur"})
+
+
+def add_cation_pi_interactions(
+    G: nx.Graph, rgroup_df: Optional[pd.DataFrame] = None
+):
+    """Add cation-pi interactions."""
+    if rgroup_df is None:
+        rgroup_df = G.graph["rgroup_df"]
+    cation_pi_df = filter_dataframe(
+        rgroup_df, "residue_name", CATION_PI_RESIS, True
+    )
+    cation_pi_df = filter_dataframe(
+        cation_pi_df, "node_id", list(G.nodes()), True
+    )
+    distmat = compute_distmat(cation_pi_df)
+    interacting_atoms = get_interacting_atoms(6, distmat)
+    interacting_atoms = list(zip(interacting_atoms[0], interacting_atoms[1]))
+
+    for (a1, a2) in interacting_atoms:
+        resi1 = cation_pi_df.loc[a1, "node_id"]
+        resi2 = cation_pi_df.loc[a2, "node_id"]
+
+        condition1 = resi1 in CATION_RESIS and resi2 in PI_RESIS
+        condition2 = resi1 in PI_RESIS and resi2 in CATION_RESIS
+
+        if (condition1 or condition2) and resi1 != resi2:
+            if G.has_edge(resi1, resi2):
+                G.edges[resi1, resi2]["kind"].add("cation_pi")
+            else:
+                G.add_edge(resi1, resi2, kind={"cation_pi"})
+
+
+def get_interacting_atoms(angstroms: float, distmat: pd.DataFrame):
+    """Find the atoms that are within a particular radius of one another."""
+    return np.where(distmat <= angstroms)
+
+
+def add_delaunay_triangulation(
+    G: nx.Graph, allowable_nodes: Optional[List[str]] = None
+):
+    """
+    Compute the Delaunay triangulation of the protein structure.
+
+    This has been used in prior work. References:
+
+        Harrison, R. W., Yu, X. & Weber, I. T. Using triangulation to include
+        target structure improves drug resistance prediction accuracy. in 1–1
+        (IEEE, 2013). doi:10.1109/ICCABS.2013.6629236
+
+        Yu, X., Weber, I. T. & Harrison, R. W. Prediction of HIV drug
+        resistance from genotype with encoded three-dimensional protein
+        structure. BMC Genomics 15 Suppl 5, S1 (2014).
+
+    Notes:
+    1. We do not use the add_interacting_resis function, because this
+        interaction is computed on the ``CA`` atoms. Therefore, there is code
+        duplication. For now, I have chosen to leave this code duplication
+        in.
+
+    :param G: The networkx graph to add the triangulation to.
+    :type G: nx.Graph
+    :param allowable_nodes: The nodes to include in the triangulation. If ``None`` (default), no filtering is done.
+        This parameter is used to filter out nodes that are not desired in the triangulation.
+        Eg if you wanted to construct a delaunay triangulation of the CA atoms of an atomic graph.
+    :type allowable_nodes: List[str], optional
+    """
+    if allowable_nodes is None:
+        coords = np.array([d["coords"] for _, d in G.nodes(data=True)])
+        node_map: Dict[int, str] = dict(enumerate(G.nodes()))
+    else:
+        coords = np.array(
+            [
+                d["coords"]
+                for _, d in G.nodes(data=True)
+                if d["atom_type"] in allowable_nodes
+            ]
+        )
+        node_map: Dict[int, str] = {
+            i: n
+            for i, (n, d) in enumerate(G.nodes(data=True))
+            if d["atom_type"] in allowable_nodes
+        }
+        node_map: Dict[int, str] = dict(enumerate(node_map.values()))
+
+    tri = Delaunay(coords)  # this is the triangulation
+    log.debug(
+        f"Detected {len(tri.simplices)} simplices in the Delaunay Triangulation."
+    )
+    for simplex in tri.simplices:
+        nodes = [node_map[s] for s in simplex]
+        for n1, n2 in combinations(nodes, 2):
+            if n1 not in G.nodes or n2 not in G.nodes:
+                continue
+            if G.has_edge(n1, n2):
+                G.edges[n1, n2]["kind"].add("delaunay")
+            else:
+                G.add_edge(n1, n2, kind={"delaunay"})
+
+
+def add_distance_threshold_protein(
+    G: nx.Graph, long_interaction_threshold: int, threshold: float = 5.0
+):
+    """
+    Adds edges to any nodes within a given distance of each other. Long interaction threshold is used
+    to specify minimum separation in sequence to add an edge between networkx nodes within the distance threshold
+
+    :param G: Protein Structure graph to add distance edges to
+    :type G: nx.Graph
+    :param long_interaction_threshold: minimum distance in sequence for two nodes to be connected
+    :type long_interaction_threshold: int
+    :param threshold: Distance in angstroms, below which two nodes are connected
+    :type threshold: float
+    :return: Graph with distance-based edges added
+    """
+    pdb_df = filter_dataframe(
+        G.graph["pdb_df"], "node_id", list(G.nodes()), True
+    )
+    dist_mat = compute_distmat(pdb_df)
+    interacting_nodes = get_interacting_atoms(threshold, distmat=dist_mat)
+    interacting_nodes = list(zip(interacting_nodes[0], interacting_nodes[1]))
+
+    log.info(f"Found: {len(interacting_nodes)} distance edges")
+    count = 0
+    for a1, a2 in interacting_nodes:
+        n1 = G.graph["pdb_df"].loc[a1, "node_id"]
+        n2 = G.graph["pdb_df"].loc[a2, "node_id"]
+        n1_chain = G.graph["pdb_df"].loc[a1, "chain_id"]
+        n2_chain = G.graph["pdb_df"].loc[a2, "chain_id"]
+        n1_position = G.graph["pdb_df"].loc[a1, "residue_number"]
+        n2_position = G.graph["pdb_df"].loc[a2, "residue_number"]
+
+        condition_1 = n1_chain == n2_chain
+        condition_2 = (
+            abs(n1_position - n2_position) < long_interaction_threshold
+        )
+
+        if not (condition_1 and condition_2):
+            count += 1
+            if G.has_edge(n1, n2):
+                G.edges[n1, n2]["kind"].add("distance_threshold")
+            else:
+                G.add_edge(n1, n2, kind={"distance_threshold"})
+    log.info(
+        f"Added {count} distance edges. ({len(list(interacting_nodes)) - count} removed by LIN)"
+    )
+
+
+def add_k_nn_edges_protein(
+    G: nx.Graph,
+    long_interaction_threshold: int,
+    k: int = 5,
+    mode: str = "connectivity",
+    metric: str = "minkowski",
+    p: int = 2,
+    include_self: Union[bool, str] = False,
+):
+    """
+    Adds edges to nodes based on K nearest neighbours. Long interaction threshold is used
+    to specify minimum separation in sequence to add an edge between networkx nodes within the distance threshold
+
+    :param G: Protein Structure graph to add distance edges to
+    :type G: nx.Graph
+    :param long_interaction_threshold: minimum distance in sequence for two nodes to be connected
+    :type long_interaction_threshold: int
+    :param k: Number of neighbors for each sample.
+    :type k: int
+    :param mode: Type of returned matrix: ``"connectivity"`` will return the connectivity matrix with ones and zeros,
+        and ``"distance"`` will return the distances between neighbors according to the given metric.
+    :type mode: str
+    :param metric: The distance metric used to calculate the k-Neighbors for each sample point.
+        The DistanceMetric class gives a list of available metrics.
+        The default distance is ``"euclidean"`` (``"minkowski"`` metric with the ``p`` param equal to ``2``).
+    :type metric: str
+    :param p: Power parameter for the Minkowski metric. When ``p = 1``, this is equivalent to using ``manhattan_distance`` (l1),
+        and ``euclidean_distance`` (l2) for ``p = 2``. For arbitrary ``p``, ``minkowski_distance`` (l_p) is used. Default is ``2`` (euclidean).
+    :type p: int
+    :param include_self: Whether or not to mark each sample as the first nearest neighbor to itself.
+        If ``"auto"``, then ``True`` is used for ``mode="connectivity"`` and ``False`` for ``mode="distance"``. Default is ``False``.
+    :type include_self: Union[bool, str]
+    :return: Graph with knn-based edges added
+    :rtype: nx.Graph
+    """
+    pdb_df = filter_dataframe(
+        G.graph["pdb_df"], "node_id", list(G.nodes()), True
+    )
+    dist_mat = compute_distmat(pdb_df)
+
+    nn = kneighbors_graph(
+        X=dist_mat,
+        n_neighbors=k,
+        mode=mode,
+        metric=metric,
+        p=p,
+        include_self=include_self,
+    )
+
+    # Create iterable of node indices
+    outgoing = np.repeat(np.array(range(len(G.graph["pdb_df"]))), k)
+    incoming = nn.indices
+    interacting_nodes = list(zip(outgoing, incoming))
+    log.info(f"Found: {len(interacting_nodes)} KNN edges")
+    for a1, a2 in interacting_nodes:
+        # Get nodes IDs from indices
+        n1 = G.graph["pdb_df"].loc[a1, "node_id"]
+        n2 = G.graph["pdb_df"].loc[a2, "node_id"]
+
+        # Get chains
+        n1_chain = G.graph["pdb_df"].loc[a1, "chain_id"]
+        n2_chain = G.graph["pdb_df"].loc[a2, "chain_id"]
+
+        # Get sequence position
+        n1_position = G.graph["pdb_df"].loc[a1, "residue_number"]
+        n2_position = G.graph["pdb_df"].loc[a2, "residue_number"]
+
+        # Check residues are not on same chain
+        condition_1 = n1_chain != n2_chain
+        # Check residues are separated by long_interaction_threshold
+        condition_2 = (
+            abs(n1_position - n2_position) > long_interaction_threshold
+        )
+
+        # If not on same chain add edge or
+        # If on same chain and separation is sufficient add edge
+        if condition_1 or condition_2:
+            if G.has_edge(n1, n2):
+                G.edges[n1, n2]["kind"].add("k_nn")
+            else:
+                G.add_edge(n1, n2, kind={"k_nn"})
+
+
+def get_ring_atoms(dataframe: pd.DataFrame, aa: str) -> pd.DataFrame:
+    """
+    Return ring atoms from a dataframe.
+
+    A helper function for add_aromatic_interactions.
+
+    Gets the ring atoms from the particular aromatic amino acid.
+
+    Parameters:
+    ===========
+    - dataframe: the dataframe containing the atom records.
+    - aa: the amino acid of interest, passed in as 3-letter string.
+
+    Returns:
+    ========
+    - dataframe: a filtered dataframe containing just those atoms from the
+                    particular amino acid selected. e.g. equivalent to
+                    selecting just the ring atoms from a particular amino
+                    acid.
+    """
+    ring_atom_df = filter_dataframe(dataframe, "residue_name", [aa], True)
+
+    ring_atom_df = filter_dataframe(
+        ring_atom_df, "atom_name", AA_RING_ATOMS[aa], True
+    )
+    return ring_atom_df
+
+
+def get_ring_centroids(ring_atom_df: pd.DataFrame) -> pd.DataFrame:
+    """
+    Return aromatic ring centrods.
+
+    A helper function for add_aromatic_interactions.
+
+    Computes the ring centroids for each a particular amino acid's ring
+    atoms.
+
+    Ring centroids are computed by taking the mean of the x, y, and z
+    coordinates.
+
+    Parameters:
+    ===========
+    - ring_atom_df: a dataframe computed using get_ring_atoms.
+    - aa: the amino acid under study
+    Returns:
+    ========
+    - centroid_df: a dataframe containing just the centroid coordinates of
+                    the ring atoms of each residue.
+    """
+    return (
+        ring_atom_df.groupby("node_id")
+        .mean()[["x_coord", "y_coord", "z_coord"]]
+        .reset_index()
+    )
+
+
+def get_edges_by_bond_type(
+    G: nx.Graph, bond_type: str
+) -> List[Tuple[str, str]]:
+    """
+    Return edges of a particular bond type.
+
+    Parameters:
+    ===========
+    - bond_type: (str) one of the elements in the variable BOND_TYPES
+
+    Returns:
+    ========
+    - resis: (list) a list of tuples, where each tuple is an edge.
+    """
+    return [
+        (n1, n2) for n1, n2, d in G.edges(data=True) if bond_type in d["kind"]
+    ]
+
+
+def node_coords(G: nx.Graph, n: str) -> Tuple[float, float, float]:
+    """
+    Return the ``x, y, z`` coordinates of a node.
+    This is a helper function. Simplifies the code.
+
+    :param G: nx.Graph protein structure graph to extract coordinates from
+    :type G: nx.Graph
+    :param n: str node ID in graph to extract coordinates from
+    :type n: str
+    :return: Tuple of coordinates ``(x, y, z)``
+    :rtype: Tuple[float, float, float]
+    """
+    x = G.nodes[n]["x_coord"]
+    y = G.nodes[n]["y_coord"]
+    z = G.nodes[n]["z_coord"]
+
+    return x, y, z
+
+
+def add_interacting_resis(
+    G: nx.Graph,
+    interacting_atoms: np.ndarray,
+    dataframe: pd.DataFrame,
+    kind: List[str],
+):
+    """
+    Add interacting residues to graph.
+
+    Returns a list of 2-tuples indicating the interacting residues based
+    on the interacting atoms. This is most typically called after the
+    get_interacting_atoms function above.
+
+    Also filters out the list such that the residues have to be at least
+    two apart.
+
+    ### Parameters
+
+    - interacting_atoms:    (numpy array) result from get_interacting_atoms function.
+    - dataframe:            (pandas dataframe) a pandas dataframe that
+                            houses the euclidean locations of each atom.
+    - kind:                 (list) the kind of interaction. Contains one
+                            of :
+                            - hydrophobic
+                            - disulfide
+                            - hbond
+                            - ionic
+                            - aromatic
+                            - aromatic_sulphur
+                            - cation_pi
+                            - delaunay
+
+    Returns:
+    ========
+    - filtered_interacting_resis: (set of tuples) the residues that are in
+        an interaction, with the interaction kind specified
+    """
+    # This assertion/check is present for defensive programming!
+    for k in kind:
+        assert k in BOND_TYPES
+
+    resi1 = dataframe.loc[interacting_atoms[0]]["node_id"].values
+    resi2 = dataframe.loc[interacting_atoms[1]]["node_id"].values
+
+    interacting_resis = set(list(zip(resi1, resi2)))
+    log.info(f"Found {len(interacting_resis)} {k} interactions.")
+    for i1, i2 in interacting_resis:
+        if i1 != i2:
+            if G.has_edge(i1, i2):
+                for k in kind:
+                    G.edges[i1, i2]["kind"].add(k)
+            else:
+                G.add_edge(i1, i2, kind=set(kind))
\ No newline at end of file
diff --git a/graphein/protein_ligand/edges/intramolecular.py b/graphein/protein_ligand/edges/intramolecular.py
new file mode 100644
index 000000000..4250b7c96
--- /dev/null
+++ b/graphein/protein_ligand/edges/intramolecular.py
@@ -0,0 +1,325 @@
+"""Featurization functions for graph edges."""
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>, Eric Ma, Charlie Harris
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+import logging
+import os
+import subprocess
+from pathlib import Path
+from typing import Optional
+
+import networkx as nx
+import pandas as pd
+
+from graphein.protein.utils import download_pdb
+
+log = logging.getLogger(__name__)
+
+
+def peptide_bonds(G: nx.Graph) -> nx.Graph:
+    """
+    Adds peptide backbone to residues in each chain
+
+    :param G: nx.Graph protein graph
+    :type G: nx.Graph
+    :returns: nx.Graph protein graph with added peptide bonds
+    :rtype: nx.Graph
+    """
+    log.debug("Adding peptide bonds to graph")
+    # Iterate over every chain
+    for chain_id in G.graph["chain_ids"]:
+
+        # Find chain residues
+        chain_residues = [
+            (n, v) for n, v in G.nodes(data=True) if v["chain_id"] == chain_id
+        ]
+
+        # Iterate over every residue in chain
+        for i, residue in enumerate(chain_residues):
+            # Checks not at chain terminus - is this versatile enough?
+            if i == len(chain_residues) - 1:
+                continue
+            # Asserts residues are on the same chain
+            cond_1 = (
+                residue[1]["chain_id"] == chain_residues[i + 1][1]["chain_id"]
+            )
+            # Asserts residue numbers are adjacent
+            cond_2 = (
+                abs(
+                    residue[1]["residue_number"]
+                    - chain_residues[i + 1][1]["residue_number"]
+                )
+                == 1
+            )
+
+            # If this checks out, we add a peptide bond
+            if cond_1 and cond_2:
+                # Adds "peptide_bond" between current residue and the next
+                if G.has_edge(i, i + 1):
+                    G.edges[i, i + 1]["kind"].add("peptide_bond")
+                else:
+                    G.add_edge(
+                        residue[0],
+                        chain_residues[i + 1][0],
+                        kind={"peptide_bond"},
+                    )
+            else:
+                continue
+    return G
+
+
+####################################
+#                                  #
+#     GetContacts Interactions     #
+#                                  #
+####################################
+
+
+def get_contacts_df(config: GetContactsConfig, pdb_name: str) -> pd.DataFrame:
+    """
+    Reads GetContact File and returns it as a pd.DataFrame
+
+    :param config: GetContactsConfig object
+    :type config: GetContactsConfig
+    :param pdb_name: Name of PDB file. Contacts files are name {pdb_name}_contacts.tsv
+    :type pdb_name: str
+    :return: DataFrame of prased GetContacts output
+    :rtype: pd.DataFrame
+    """
+    if not config.contacts_dir:
+        config.contacts_dir = Path("/tmp/")
+
+    contacts_file = config.contacts_dir / (pdb_name + "_contacts.tsv")
+
+    # Check for existence of GetContacts file
+    if not os.path.isfile(contacts_file):
+        log.info("GetContacts file not found. Running GetContacts...")
+        run_get_contacts(config, pdb_name)
+
+    contacts_df = read_contacts_file(config, contacts_file)
+
+    # remove temp GetContacts file
+    if config.contacts_dir == "/tmp/":
+        os.remove(contacts_file)
+
+    return contacts_df
+
+
+def run_get_contacts(
+    config: GetContactsConfig,
+    pdb_id: Optional[str] = None,
+    file_name: Optional[str] = None,
+):
+    """
+    Runs GetContacts on a protein structure. If no file_name is provided, a PDB file is downloaded for the pdb_id
+
+    :param config: GetContactsConfig object containing GetContacts parameters
+    :type config: graphein.protein.config.GetContactsConfig
+    :param pdb_id: 4-character PDB accession code
+    :type pdb_id: str, optional
+    :param file_name: PDB_name file to use, if annotations to be retrieved from the PDB
+    :type file_name: str, optional
+    """
+    # Check for GetContacts Installation
+    assert os.path.isfile(
+        f"{config.get_contacts_path}/get_static_contacts.py"
+    ), "No GetContacts Installation Detected. Please install from: https://getcontacts.github.io"
+
+    # Check for existence of pdb file. If not, download it.
+    if not os.path.isfile(config.pdb_dir / file_name):
+        log.debug(
+            f"No pdb file found for {config.pdb_dir / file_name}. Checking pdb_id..."
+        )
+        if not os.path.isfile(config.pdb_dir / pdb_id):
+            log.debug(
+                f"No pdb file found for {config.pdb_dir / pdb_id}. Downloading..."
+            )
+            pdb_file = download_pdb(config, pdb_id)
+        else:
+            pdb_file = config.pdb_dir + pdb_id + ".pdb"
+
+    # Run GetContacts
+    command = f"{config.get_contacts_path}/get_static_contacts.py "
+    command += f"--structure {pdb_file} "
+    command += f'--output {(config.contacts_dir / (pdb_id + "_contacts.tsv")).as_posix()} '
+    command += "--itypes all"  # --sele "protein"'
+
+    log.info(f"Running GetContacts with command: {command}")
+
+    subprocess.run(command, shell=True)
+
+    # Check it all checks out
+    assert os.path.isfile(config.contacts_dir / (pdb_id + "_contacts.tsv"))
+    log.info(f"Computed Contacts for: {pdb_id}")
+
+
+def read_contacts_file(
+    config: GetContactsConfig, contacts_file: str
+) -> pd.DataFrame:
+    """
+    Parses GetContacts file to an edgelist (pd.DataFrame)
+
+    :param config: GetContactsConfig object (graphein.protein.config.GetContactsConfig)
+    :type config: GetContactsConfig
+    :param contacts_file: file name of contacts file
+    :type contacts_file: str
+    :return: Pandas Dataframe of edge list
+    :rtype: pd.DataFrame
+    """
+    log.debug(f"Parsing GetContacts output file at: {contacts_file}")
+
+    contacts_file = open(contacts_file, "r").readlines()
+    contacts = []
+
+    # Extract every contact and residue types
+    for contact in contacts_file[2:]:
+        contact = contact.strip().split("\t")
+
+        interaction_type = contact[1]
+        res1 = contact[2]
+        res2 = contact[3]
+
+        # Remove atom names if not using atom granularity
+        if config.granularity != "atom":
+            res1 = res1.split(":")
+            res2 = res2.split(":")
+
+            res1 = res1[0] + ":" + res1[1] + ":" + res1[2]
+            res2 = res2[0] + ":" + res2[1] + ":" + res2[2]
+
+        contacts.append([res1, res2, interaction_type])
+
+    edges = pd.DataFrame(
+        contacts, columns=["res1", "res2", "interaction_type"]
+    )
+
+    return edges.drop_duplicates()
+
+
+def add_contacts_edge(G: nx.Graph, interaction_type: str) -> nx.Graph:
+    """
+    Adds specific interaction types to the protein graph.
+
+    :param G: networkx protein graph
+    :type G: nx.Graph
+    :param interaction_type: interaction type to be added
+    :type interaction_type: str
+    :return G: nx.Graph with specified interaction-based edges added.
+    :rtype: nx.Graph
+    """
+    log.debug(f"Adding {interaction_type} edges to graph")
+
+    if "contacts_df" not in G.graph:
+        log.info("No 'contacts_df' found in G.graph. Running GetContacts.")
+
+        G.graph["contacts_df"] = get_contacts_df(
+            G.graph["config"].get_contacts_config, G.graph["pdb_id"]
+        )
+
+    contacts = G.graph["contacts_df"]
+
+    # Select specific interaction type
+    interactions = contacts.loc[
+        contacts["interaction_type"] == interaction_type
+    ]
+
+    for label, [res1, res2, interaction_type] in interactions.iterrows():
+        # Check residues are actually in graph
+        if not (G.has_node(res1) and G.has_node(res2)):
+            continue
+
+        if G.has_edge(res1, res2):
+            G.edges[res1, res2]["kind"].add(interaction_type)
+        else:
+            G.add_edge(res1, res2, kind={interaction_type})
+
+    return G
+
+
+def hydrogen_bond(G: nx.Graph) -> nx.Graph:
+    """
+    Adds hydrogen bonds to protein structure graph
+
+    :param G: nx.Graph to add hydrogen bonds to
+    :type G: nx.Graph
+    :return: nx.Graph with hydrogen bonds added
+    :rtype: nx.Graph
+    """
+    return add_contacts_edge(G, "hb")
+
+
+def salt_bridge(G: nx.Graph) -> nx.Graph:
+    """
+    Adds salt bridges to protein structure graph
+
+    :param G: nx.Graph to add salt bridges to
+    :type G: nx.Graph
+    :return: nx.Graph with salt bridges added
+    :rtype: nx.Graph
+    """
+    return add_contacts_edge(G, "sb")
+
+
+def pi_cation(G: nx.Graph) -> nx.Graph:
+    """
+    Adds pi-cation interactions to protein structure graph
+
+    :param G: nx.Graph to add pi-cation interactions to
+    :type G: nx.Graph
+    :return: nx.Graph with pi-pi_cation interactions added
+    :rtype: nx.Graph
+    """
+
+    return add_contacts_edge(G, "pc")
+
+
+def pi_stacking(G: nx.Graph) -> nx.Graph:
+    """
+    Adds pi-stacking interactions to protein structure graph
+
+    :param G: nx.Graph to add pi-stacking interactions to
+    :type G: nx.Graph
+    :return: nx.Graph with pi-stacking interactions added
+    :rtype: nx.Graph
+    """
+    return add_contacts_edge(G, "ps")
+
+
+def t_stacking(G: nx.Graph) -> nx.Graph:
+    """
+    Adds t-stacking interactions to protein structure graph
+
+    :param G: nx.Graph to add t-stacking interactions to
+    :type G: nx.Graph
+    :return: nx.Graph with t-stacking interactions added
+    :rtype: nx.Graph
+    """
+    return add_contacts_edge(G, "ts")
+
+
+def hydrophobic(G: nx.Graph) -> nx.Graph:
+    """
+    Adds hydrophobic interactions to protein structure graph
+
+    :param G: nx.Graph to add hydrophobic interaction edges to
+    :type G: nx.Graph
+    :return: nx.Graph with hydrophobic interactions added
+    :rtype: nx.Graph
+    """
+    return add_contacts_edge(G, "hp")
+
+
+def van_der_waals(G: nx.Graph) -> nx.Graph:
+    """
+    Adds van der Waals interactions to protein structure graph
+
+    :param G: nx.Graph to add van der Waals interactions to
+    :type G: nx.Graph
+    :return: nx.Graph with van der Waals interactions added
+    :rtype: nx.Graph
+    """
+    return add_contacts_edge(G, "vdw")
diff --git a/graphein/protein_ligand/features/__init__.py b/graphein/protein_ligand/features/__init__.py
new file mode 100644
index 000000000..5b394fc48
--- /dev/null
+++ b/graphein/protein_ligand/features/__init__.py
@@ -0,0 +1,6 @@
+from .data import *
+from .graph import *
+from .nodes import *
+from .pretrained_models import *
+from .sequence import *
+from .utils import *
diff --git a/graphein/protein_ligand/features/data/__init__.py b/graphein/protein_ligand/features/data/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/graphein/protein_ligand/features/graph/__init__.py b/graphein/protein_ligand/features/graph/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/graphein/protein_ligand/features/nodes/__init__.py b/graphein/protein_ligand/features/nodes/__init__.py
new file mode 100644
index 000000000..135810eed
--- /dev/null
+++ b/graphein/protein_ligand/features/nodes/__init__.py
@@ -0,0 +1,4 @@
+from .amino_acid import *
+from .dssp import *
+from .geometry import *
+from .atom_type import *
diff --git a/graphein/protein_ligand/features/nodes/aaindex.py b/graphein/protein_ligand/features/nodes/aaindex.py
new file mode 100644
index 000000000..8e8e9aae5
--- /dev/null
+++ b/graphein/protein_ligand/features/nodes/aaindex.py
@@ -0,0 +1,67 @@
+import logging
+from typing import Dict, Tuple
+
+import networkx as nx
+
+from graphein.utils.utils import import_message, protein_letters_3to1_all_caps
+
+log = logging.getLogger(__name__)
+
+
+try:
+    from pyaaisc import Aaindex
+except ImportError:
+    message = import_message(
+        submodule="graphein.protein.features.nodes.aaindex",
+        package="pyaaisc",
+        pip_install=True,
+    )
+    log.warning(message)
+
+
+def fetch_AAIndex(accession: str) -> Tuple[str, Dict[str, float]]:
+    """
+    Fetches AAindex1 dictionary from an accession code. The dictionary maps one-letter AA codes to float values
+
+    :param accession: Aaindex1 accession code
+    :type accession: str
+    :return: tuple of record titel(str) and dictionary of AA:value mappings
+    :rtype: Tuple[str, Dict[str, float]]
+    """
+    # Initialise AAindex object and get data
+    aaindex = Aaindex()
+    record = aaindex.get(accession)
+
+    return record.title, record.index_data
+
+
+def aaindex1(G: nx.Graph, accession: str) -> nx.Graph:
+    """Adds AAIndex1 datavalues for a given accession as node features.
+
+    :param G: nx.Graph protein structure graphein to featurise
+    :type G: nx.Graph
+    :param accession: AAIndex1 accession code for values to use
+    :type accession: str
+    :return: Protein Structure graph with AAindex1 node features added
+    :rtype: nx.Graph
+    """
+
+    title, index_data = fetch_AAIndex(accession)
+
+    # TODO: change to allow for a list of all accession numbers?
+    G.graph["aaindex1"] = accession + ": " + title
+
+    if G.graph["config"].granularity == "atom":
+        raise NameError(
+            "AAIndex features cannot be added to atom granularity graph"
+        )
+
+    for n in G.nodes:
+        residue = n.split(":")[1]
+        residue = protein_letters_3to1_all_caps(residue)
+
+        aaindex = index_data[residue]
+
+        G.nodes[n][f"aaindex1_{accession}"] = aaindex
+
+    return G
diff --git a/graphein/protein_ligand/features/nodes/amino_acid.py b/graphein/protein_ligand/features/nodes/amino_acid.py
new file mode 100644
index 000000000..cd8f8cfe9
--- /dev/null
+++ b/graphein/protein_ligand/features/nodes/amino_acid.py
@@ -0,0 +1,252 @@
+"""Featurization functions for amino acids."""
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>, Eric Ma
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+
+import logging
+from functools import lru_cache
+from pathlib import Path
+from typing import Any, Dict, List, Optional, Union
+
+import numpy as np
+import pandas as pd
+
+from graphein.protein.resi_atoms import (
+    BASE_AMINO_ACIDS,
+    HYDROGEN_BOND_ACCEPTORS,
+    HYDROGEN_BOND_DONORS,
+    RESI_THREE_TO_1,
+)
+from graphein.utils.utils import onek_encoding_unk
+
+log = logging.getLogger(__name__)
+
+
+@lru_cache()
+def load_expasy_scales() -> pd.DataFrame:
+    """
+    Load pre-downloaded EXPASY scales.
+
+    This helps with node featuarization.
+
+    The function is LRU-cached in memory for fast access
+    on each function call.
+
+    :returns: pd.DataFrame containing expasy scales
+    :rtype: pd.DataFrame
+    """
+    fpath = Path(__file__).parent / "amino_acid_properties.csv"
+    log.debug(f"Reading Expasy protein scales from: {fpath}")
+    return pd.read_csv(fpath, index_col=0)
+
+
+@lru_cache()
+def load_meiler_embeddings() -> pd.DataFrame:
+    """
+    Load pre-downloaded Meiler embeddings.
+
+    This helps with node featurization.
+
+    The function is LRU-cached in memory for fast access
+    on each function call.
+
+    :returns: pd.DataFrame containing Meiler Embeddings from Meiler et al. 2001
+    :rtype: pd.DataFrame
+    """
+    fpath = Path(__file__).parent / "meiler_embeddings.csv"
+    log.debug(f"Reading meiler embeddings from: {fpath}")
+    return pd.read_csv(fpath, index_col=0)
+
+
+def expasy_protein_scale(
+    n,
+    d,
+    selection: Optional[List[str]] = None,
+    add_separate: bool = False,
+    return_array: bool = False,
+) -> Union[pd.Series, np.ndarray]:
+    """
+    Return amino acid features that come from the EXPASY protein scale.
+
+    Source: https://web.expasy.org/protscale/
+
+    :param n: Node in a NetworkX graph
+    :param d: NetworkX node attributes.
+    :param selection: List of columns to select. Viewable in graphein.protein.features.nodes.meiler_embeddings
+    :type selection: List[str], optional
+    :param add_separate: Whether or not to add the expasy features as indvidual entries or as a series.
+    :param return_array: Bool indicating whether or not to return a np.ndarray of the features. Default is pd.Series
+    :type return_array: bool
+    :returns: pd.Series of amino acid features
+    :rtype: pd.Series
+    """
+    df = load_expasy_scales()
+    amino_acid = d["residue_name"]
+    try:
+        features = df[amino_acid]
+        if selection is not None:
+            features = features.filter(selection)
+    except:
+        features = pd.Series(np.zeros(len(df)))
+
+    if return_array:
+        features = np.array(features)
+
+    if add_separate:
+        for k, v in features.to_dict().items():
+            d[k] = v
+    else:
+        d["expasy"] = features
+
+    return features
+
+
+def meiler_embedding(
+    n, d, return_array: bool = False
+) -> Union[pd.Series, np.array]:
+    """
+    Return amino acid features from reduced dimensional embeddings of amino acid physicochemical properties.
+
+    Source: https://link.springer.com/article/10.1007/s008940100038
+    doi: https://doi.org/10.1007/s008940100038
+
+    :param n: Node in a NetworkX graph
+    :param d: NetworkX node attributes.
+    :returns: pd.Series of amino acid features
+    :rtype: pd.Series
+    """
+    
+    if "residue_name" in d:
+        df = load_meiler_embeddings()
+        amino_acid = d["residue_name"]
+        try:
+            features = df[amino_acid]
+        except:
+            features = pd.Series(np.zeros(len(df)))
+
+        if return_array:
+            features = np.array(features)
+
+        d["meiler"] = features
+
+        return features
+
+
+def amino_acid_one_hot(
+    n,
+    d: Dict[str, Any],
+    return_array: bool = True,
+    allowable_set: Optional[List[str]] = None,
+) -> Union[pd.Series, np.ndarray]:
+    """Adds a one-hot encoding of amino acid types as a node attribute.
+
+    :param n: node name, this is unused and only included for compatibility with the other functions
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :param return_array: If True, returns a numpy array of one-hot encoding, otherwise returns a pd.Series. Default is True.
+    :type return_array: bool
+    :param allowable_set: Specifies vocabulary of amino acids. Default is None (which uses `graphein.protein.resi_atoms.STANDARD_AMINO_ACIDS`).
+    :return: One-hot encoding of amino acid types
+    :rtype: Union[pd.Series, np.ndarray]
+    """
+    if "residue_name" in d:
+        if allowable_set is None:
+            allowable_set = BASE_AMINO_ACIDS
+
+        features = onek_encoding_unk(
+            RESI_THREE_TO_1[d["residue_name"]], allowable_set
+        )
+
+        if return_array:
+            features = np.array(features).astype(int)
+        else:
+            features = pd.Series(features).astype(int)
+            features.index = allowable_set
+
+        d["amino_acid_one_hot"] = features
+        return features
+
+
+def hydrogen_bond_donor(
+    n: str,
+    d: Dict[str, Any],
+    sum_features: bool = True,
+    return_array: bool = False,
+) -> pd.Series:
+    """Adds Hydrogen Bond Donor status to nodes as a feature.
+
+    :param n: node id
+    :type n: str
+    :param d: Dict of node attributes
+    :type d: Dict[str, Any]
+    :param sum_features: If ``True``, the feature is the number of hydrogen bond donors per node.
+        If ``False``, the feature is a boolean indicating whether or not the node has a hydrogen
+        bond donor. Default is ``True``.
+    :type sum_features: bool
+    :param return_array: If ``True``, returns a ``np.ndarray``, otherwise returns a ``pd.Series``. Default is ``True``.
+    :type return_array: bool
+    """
+    node_id = n.split(":")
+    res = node_id[1]
+    if len(node_id) == 4:  # Atomic graph
+        atom = node_id[-1]
+        try:
+            features = HYDROGEN_BOND_DONORS[res][atom]
+        except KeyError:
+            features = 0
+    elif len(node_id) == 3:  # Residue graph
+        if res not in HYDROGEN_BOND_DONORS.keys():
+            features = 0
+        else:
+            features = sum(HYDROGEN_BOND_DONORS[res].values())
+
+    if return_array:
+        features = np.array(features).astype(int)
+    else:
+        features = pd.Series(features).astype(int)
+    if not sum_features:
+        features = np.array(features > 0).astype(int)
+
+    d["hbond_donors"] = features
+
+
+def hydrogen_bond_acceptor(
+    n, d, sum_features: bool = True, return_array: bool = False
+) -> pd.Series:
+    """Adds Hydrogen Bond Acceptor status to nodes as a feature."
+
+    :param n: node id
+    :type n: str
+    :param d: Dict of node attributes
+    :type d: Dict[str, Any]
+    :param sum_features: If ``True``, the feature is the number of hydrogen bond acceptors per node.
+        If ``False``, the feature is a boolean indicating whether or not the node has a hydrogen
+        bond acceptor. Default is ``True``.
+    :type sum_features: bool
+    :param return_array: If ``True``, returns a ``np.ndarray``, otherwise returns a ``pd.Series``. Default is ``True``.
+    :type return_array: bool
+    """
+    node_id = n.split(":")
+    res = node_id[1]
+    if len(node_id) == 4:  # Atomic graph
+        atom = node_id[-1]
+        try:
+            features = HYDROGEN_BOND_ACCEPTORS[res][atom]
+        except KeyError:
+            features = 0
+    elif len(node_id) == 3:  # Residue graph
+        if res not in HYDROGEN_BOND_ACCEPTORS.keys():
+            features = 0
+        else:
+            features = sum(HYDROGEN_BOND_ACCEPTORS[res].values())
+
+    if return_array:
+        features = np.array(features).astype(int)
+    else:
+        features = pd.Series(features).astype(int)
+    if not sum_features:
+        features = np.array(features > 0).astype(int)
+    d["hbond_acceptors"] = features
diff --git a/graphein/protein_ligand/features/nodes/amino_acid_properties.csv b/graphein/protein_ligand/features/nodes/amino_acid_properties.csv
new file mode 100644
index 000000000..7798d0198
--- /dev/null
+++ b/graphein/protein_ligand/features/nodes/amino_acid_properties.csv
@@ -0,0 +1,62 @@
+,ALA,ARG,ASN,ASP,CYS,GLN,GLU,GLY,HIS,ILE,LEU,LYS,MET,PHE,PRO,SER,THR,TRP,TYR,VAL
+pka_cooh_alpha,2.35,2.18,2.18,1.88,1.71,2.17,2.19,2.34,1.78,2.32,2.36,2.2,2.28,2.58,1.99,2.21,2.15,2.38,2.2,2.29
+pka_nh3,9.87,9.09,9.09,9.6,10.78,9.13,9.67,9.6,8.97,9.76,9.6,8.9,9.21,9.24,10.6,9.15,9.12,9.39,9.11,9.74
+pka_rgroup,7.0,13.2,13.2,3.65,8.33,7.0,4.25,7.0,5.97,7.0,7.0,10.28,7.0,7.0,7.0,7.0,7.0,7.0,10.07,7.0
+isoelectric_points,6.11,10.76,10.76,2.98,5.02,5.65,3.08,6.06,7.64,6.04,6.04,9.47,5.74,5.91,6.3,5.68,5.6,5.88,5.63,6.02
+molecularweight,89.0,174.0,132.0,133.0,121.0,146.0,147.0,75.0,155.0,131.0,131.0,146.0,149.0,165.0,115.0,105.0,119.0,204.0,181.0,117.0
+numbercodons,4.0,6.0,2.0,2.0,1.0,2.0,2.0,4.0,2.0,3.0,6.0,2.0,1.0,2.0,4.0,6.0,4.0,1.0,2.0,4.0
+bulkiness,11.5,14.28,12.82,11.68,13.46,14.45,13.57,3.4,13.69,21.4,21.4,15.71,16.25,19.8,17.43,9.47,15.77,21.67,18.03,21.57
+polarityzimmerman,0.0,52.0,3.38,49.7,1.48,3.53,49.9,0.0,51.6,0.13,0.13,49.5,1.43,0.35,1.58,1.67,1.66,2.1,1.61,0.13
+polaritygrantham,8.1,10.5,11.6,13.0,5.5,10.5,12.3,9.0,10.4,5.2,4.9,11.3,5.7,5.2,8.0,9.2,8.6,5.4,6.2,5.9
+refractivity,4.34,26.66,13.28,12.0,35.77,17.56,17.26,0.0,21.81,19.06,18.78,21.29,21.64,29.4,10.93,6.35,11.01,42.53,31.53,13.92
+recognitionfactors,78.0,95.0,94.0,81.0,89.0,87.0,78.0,84.0,84.0,88.0,85.0,87.0,80.0,81.0,91.0,107.0,93.0,104.0,84.0,89.0
+hphob_eisenberg,0.62,-2.53,-0.78,-0.9,0.29,-0.85,-0.74,0.48,-0.4,1.38,1.06,-1.5,0.64,1.19,0.12,-0.18,-0.05,0.81,0.26,1.08
+hphob_sweet,-0.4,-0.59,-0.92,-1.31,0.17,-0.91,-1.22,-0.67,-0.64,1.25,1.22,-0.67,1.02,1.92,-0.49,-0.55,-0.28,0.5,1.67,0.91
+hphob_woods,-0.5,3.0,0.2,3.0,-1.0,0.2,3.0,0.0,-0.5,-1.8,-1.8,3.0,-1.3,-2.5,0.0,0.3,-0.4,-3.4,-2.3,-1.5
+hphob_doolittle,1.8,-4.5,-3.5,-3.5,2.5,-3.5,-3.5,-0.4,-3.2,4.5,3.8,-3.9,1.9,2.8,-1.6,-0.8,-0.7,-0.9,-1.3,4.2
+hphob_manavalan,12.97,11.72,11.42,10.85,14.63,11.76,11.89,12.43,12.16,15.67,14.9,11.36,14.39,14.0,11.37,11.23,11.69,13.93,13.42,15.71
+hphob_leo,0.44,-2.42,-1.32,-0.31,0.58,-0.71,-0.34,0.0,-0.01,2.46,2.46,-2.45,1.1,2.54,1.29,-0.84,-0.41,2.56,1.63,1.73
+hphob_black,0.616,0.0,0.236,0.028,0.68,0.251,0.043,0.501,0.165,0.943,0.943,0.283,0.738,1.0,0.711,0.359,0.45,0.878,0.88,0.825
+hphob_breese,0.61,0.69,0.89,0.61,0.36,0.97,0.51,0.81,0.69,-1.45,-1.65,0.46,-0.66,-1.52,-0.17,0.42,0.29,-1.2,-1.43,-0.75
+hphob_fauchere,0.31,-1.01,-0.6,-0.77,1.54,-0.22,-0.64,0.0,0.13,1.8,1.7,-0.99,1.23,1.79,0.72,-0.04,0.26,2.25,0.96,1.22
+hphob_guy,0.1,1.91,0.48,0.78,-1.42,0.95,0.83,0.33,-0.5,-1.13,-1.18,1.4,-1.59,-2.12,0.73,0.52,0.07,-0.51,-0.21,-1.27
+hphob_janin,0.3,-1.4,-0.5,-0.6,0.9,-0.7,-0.7,0.3,-0.1,0.7,0.5,-1.8,0.4,0.5,-0.3,-0.1,-0.2,0.3,-0.4,0.6
+hphob_miyazawa,5.33,4.18,3.71,3.59,7.93,3.87,3.65,4.48,5.1,8.83,8.47,2.95,8.95,9.03,3.87,4.09,4.49,7.66,5.89,7.63
+hphob_argos,1.36,0.15,0.33,0.11,1.27,0.33,0.25,1.09,0.68,1.44,1.47,0.09,1.42,1.57,0.54,0.97,1.08,1.0,0.83,1.37
+hphob_roseman,0.39,-3.95,-1.91,-3.81,0.25,-1.3,-2.91,0.0,-0.64,1.82,1.82,-2.77,0.96,2.27,0.99,-1.24,-1.0,2.13,1.47,1.3
+hphob_tanford,0.62,-2.53,-0.78,-0.09,0.29,-0.85,-0.74,0.48,-0.4,1.38,1.53,-1.5,0.64,1.19,0.12,-0.18,-0.05,0.81,0.26,1.8
+hphob_wolfenden,1.94,-19.92,-9.68,-10.95,-1.24,-9.38,-10.2,2.39,-10.27,2.15,2.28,-9.52,-1.48,-0.76,0.0,-5.06,-4.88,-5.88,-6.11,1.99
+hphob_welling,1.15,0.58,-0.77,0.65,-1.2,-0.11,-0.71,-1.84,3.12,-2.92,0.75,2.06,-3.85,-1.41,-0.53,-0.26,-0.45,-1.14,0.13,-0.13
+hphob_wilson,-0.3,-1.1,-0.2,-1.4,6.3,-0.2,0.0,1.2,-1.3,4.3,6.6,-3.6,2.5,7.5,2.2,-0.6,-2.2,7.9,7.1,5.9
+hphob_parker,2.1,4.2,7.0,10.0,1.4,6.0,7.8,5.7,2.1,-8.0,-9.2,5.7,-4.2,-9.2,2.1,6.5,5.2,-10.0,-1.9,-3.7
+hphob_ph3_4,0.42,-1.56,-1.03,-0.51,0.84,-0.96,-0.37,0.0,-2.28,1.81,1.8,-2.03,1.18,1.74,0.86,-0.64,-0.26,1.46,0.51,1.34
+hphob_ph7_5,0.35,-1.5,-0.99,-2.15,0.76,-0.93,-1.95,0.0,-0.65,1.83,1.8,-1.54,1.1,1.69,0.84,-0.63,-0.27,1.35,0.39,1.32
+hphob_mobility,5.1,2.0,0.6,0.7,0.0,1.4,1.8,4.1,1.6,9.3,10.0,1.3,8.7,9.6,4.9,3.1,3.5,9.2,8.0,8.5
+hplchfba,3.9,3.2,-2.8,-2.8,-14.3,1.8,-7.5,-2.3,2.0,11.0,15.0,-2.5,4.1,14.7,5.6,-3.5,1.1,17.8,3.8,2.1
+hplctfa,7.3,-3.6,-5.7,-2.9,-9.2,-0.3,-7.1,-1.2,-2.1,6.6,20.0,-3.7,5.6,19.2,5.1,-4.1,0.8,16.3,5.9,3.5
+transmembranetendency,0.38,-2.57,-1.62,-3.27,-0.3,-1.84,-2.9,-0.19,-1.44,1.97,1.82,-3.46,1.4,1.98,-1.44,-0.53,-0.32,1.53,0.49,1.46
+hplc2_1,-0.1,-4.5,-1.6,-2.8,-2.2,-2.5,-7.5,-0.5,0.8,11.8,10.0,-3.2,7.1,13.9,8.0,-3.7,1.5,18.1,8.2,3.3
+hplc7_4,0.5,0.8,0.8,-8.2,-6.8,-4.8,-16.9,0.0,-3.5,13.9,8.8,0.1,4.8,13.2,6.1,1.2,2.7,14.9,6.1,2.7
+buriedresidues,11.2,0.5,2.9,2.9,4.1,1.6,1.8,11.8,2.0,8.6,11.7,0.5,1.9,5.1,2.7,8.0,4.9,2.2,2.6,12.9
+accessibleresidues,6.6,4.5,6.7,7.7,0.9,5.2,5.7,6.7,2.5,2.8,4.8,10.3,1.0,2.4,4.8,9.4,7.0,1.4,5.1,4.5
+hphob_chothia,0.38,0.01,0.12,0.15,0.5,0.07,0.18,0.36,0.17,0.6,0.45,0.03,0.4,0.5,0.18,0.22,0.23,0.27,0.15,0.54
+hphob_rose,0.74,0.64,0.63,0.62,0.91,0.62,0.62,0.72,0.78,0.88,0.85,0.52,0.85,0.88,0.64,0.66,0.7,0.85,0.76,0.86
+ratioside,0.0,0.65,1.33,1.38,2.75,0.89,0.92,0.74,0.58,0.0,0.0,0.33,0.0,0.0,0.39,1.42,0.71,0.13,0.2,0.0
+averageburied,86.6,162.2,103.3,97.8,132.3,119.2,113.9,62.9,155.8,158.0,164.1,115.5,172.9,194.1,92.9,85.6,106.5,224.6,177.7,141.0
+averageflexibility,0.36,0.53,0.46,0.51,0.35,0.49,0.5,0.54,0.32,0.46,0.37,0.47,0.3,0.31,0.51,0.51,0.44,0.31,0.42,0.39
+alpha_helixfasman,1.42,0.98,0.67,1.01,0.7,1.11,1.51,0.57,1.0,1.08,1.21,1.16,1.45,1.13,0.57,0.77,0.83,1.08,0.69,1.06
+beta_sheetfasman,0.83,0.93,0.89,0.54,1.19,1.1,0.37,0.75,0.87,1.6,1.3,0.74,1.05,1.38,0.55,0.75,1.19,1.37,1.47,1.7
+beta_turnfasman,0.66,0.95,1.56,1.46,1.19,0.98,0.74,1.56,0.95,0.47,0.59,1.01,0.6,0.6,1.52,1.43,0.96,0.96,1.14,0.5
+alpha_helixroux,1.489,1.224,0.772,0.924,0.966,1.164,1.504,0.51,1.003,1.003,1.236,1.172,1.363,1.195,0.492,0.739,0.785,1.09,0.787,0.99
+beta_sheetroux,0.709,0.92,0.604,0.541,1.191,0.84,0.567,0.657,0.863,1.799,1.261,0.721,1.21,1.393,0.354,0.928,1.221,1.306,1.266,1.965
+beta_turnroux,0.788,0.912,1.572,1.197,0.965,0.997,1.149,1.86,0.97,0.24,0.67,1.302,0.436,0.624,1.415,1.316,0.739,0.546,0.795,0.387
+coilroux,0.824,0.893,1.167,1.197,0.953,0.947,0.761,1.251,1.068,0.886,0.81,0.897,0.81,0.797,1.54,1.13,1.148,0.941,1.109,0.772
+alpha_helixlevitt,1.29,0.96,0.9,1.04,1.11,1.27,1.44,0.56,1.22,0.97,1.3,1.23,1.47,1.07,0.52,0.82,0.82,0.99,0.72,0.91
+beta_sheetlevitt,0.9,0.99,0.76,0.72,0.74,0.8,0.75,0.92,1.08,1.45,1.02,0.77,0.97,1.32,0.64,0.95,1.21,1.14,1.25,1.49
+beta_turnlevitt,0.77,0.88,1.28,1.41,0.81,0.98,0.99,1.64,0.68,0.51,0.58,0.96,0.41,0.59,1.91,1.32,1.04,0.76,1.05,0.47
+totalbeta_strand,0.92,0.93,0.6,0.48,1.16,0.95,0.61,0.61,0.93,1.81,1.3,0.7,1.19,1.25,0.4,0.82,1.12,1.54,1.53,1.81
+antiparallelbeta_strand,0.9,1.02,0.62,0.47,1.24,1.18,0.62,0.56,1.12,1.54,1.26,0.74,1.09,1.23,0.42,0.87,1.3,1.75,1.68,1.53
+parallelbeta_strand,1.0,0.68,0.54,0.5,0.91,0.28,0.59,0.79,0.38,2.6,1.42,0.59,1.49,1.3,0.35,0.7,0.59,0.89,1.08,2.63
+a_a_composition,8.3,5.7,4.4,5.3,1.7,4.0,6.2,7.2,2.2,5.2,9.0,5.7,2.4,3.9,5.1,6.9,5.8,1.3,3.2,6.6
+a_a_swiss_prot,8.25,5.53,4.06,5.45,1.37,3.93,6.75,7.07,2.27,5.96,9.66,5.84,2.42,3.86,4.7,6.56,5.34,1.08,2.92,6.87
+relativemutability,100.0,65.0,134.0,106.0,20.0,93.0,102.0,49.0,66.0,96.0,40.0,56.0,94.0,41.0,56.0,120.0,97.0,18.0,41.0,74.0
diff --git a/graphein/protein_ligand/features/nodes/atom_type.py b/graphein/protein_ligand/features/nodes/atom_type.py
new file mode 100644
index 000000000..4a7ddb30c
--- /dev/null
+++ b/graphein/protein_ligand/features/nodes/atom_type.py
@@ -0,0 +1,314 @@
+"""Functions for featurising Small Molecule Graphs."""
+# %%
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>, Yuanqi Du
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+from typing import Any, Dict, List, Optional
+
+import numpy as np
+import pandas as pd
+
+from graphein.molecule.atoms import BASE_ATOMS
+from graphein.utils.utils import onek_encoding_unk
+
+
+def atom_type_one_hot(
+    n,
+    d: Dict[str, Any],
+    return_array: bool = True,
+    allowable_set: Optional[List[str]] = None,
+) -> np.ndarray:
+    """Adds a one-hot encoding of atom types as a node attribute.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data.
+    :type d: Dict[str, Any]
+    :param return_array: If ``True``, returns a numpy ``np.ndarray`` of one-hot encoding, otherwise returns a ``pd.Series``. Default is ``True``.
+    :type return_array: bool
+    :param allowable_set: Specifies vocabulary of amino acids. Default is ``None`` (which uses `graphein.molecule.atoms.BASE_ATOMS`).
+    :return: One-hot encoding of amino acid types.
+    :rtype: Union[pd.Series, np.ndarray]
+    """
+
+    if "element_symbol" in d:
+        if allowable_set is None:
+            allowable_set = BASE_ATOMS
+    
+    
+        features = onek_encoding_unk(d["element_symbol"], allowable_set)
+
+        if return_array:
+            features = np.array(features).astype(int)
+        else:
+            features = pd.Series(features).astype(int)
+            features.index = allowable_set
+
+        d["atom_type_one_hot"] = features
+        return features
+
+
+# TODO: below atom features dependent on rdkit, need to fix further
+def degree(n: str, d: Dict[str, Any]) -> int:
+    """Adds the degree of the node to the node data.
+
+    N.B. this is the degree as defined by RDKit rather than the 'true' degree of the node in the graph. For the latter, use nx.degree()
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Degree of the atom.
+    :rtype: int
+    """
+    degree = d["rdmol_atom"].GetDegree()
+    d["degree"] = degree
+    return degree
+
+
+def total_degree(n: str, d: Dict[str, Any]) -> int:
+    """Adds the total degree of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data.
+    :type d: Dict[str, Any]
+    :return: Total degree of the atom.
+    :rtype: int
+    """
+    total_degree = d["rdmol_atom"].GetTotalDegree()
+    d["total_degree"] = total_degree
+    return total_degree
+
+
+def total_valence(n: str, d: Dict[str, Any]) -> int:
+    """Adds the total valence of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data.
+    :type d: Dict[str, Any]
+    :return: Total valence of the atom.
+    :rtype: int
+    """
+    total_valence = d["rdmol_atom"].GetTotalValence()
+    d["total_valence"] = total_valence
+    return total_valence
+
+
+def explicit_valence(n: str, d: Dict[str, Any]) -> int:
+    """Adds explicit valence of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Explicit valence of the atom.
+    :rtype: int
+    """
+    explicit_valence = d["rdmol_atom"].GetExplicitValence()
+    d["explicit_valence"] = explicit_valence
+    return explicit_valence
+
+
+def implicit_valence(n: str, d: Dict[str, Any]) -> int:
+    """Adds implicit valence of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Implicit valence of the atom.
+    :rtype: int
+    """
+    implicit_valence = d["rdmol_atom"].GetImplicitValence()
+    d["implicit_valence"] = implicit_valence
+    return implicit_valence
+
+
+def num_implicit_h(n: str, d: Dict[str, Any]) -> int:
+    """Adds the number of implicit Hydrogens of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Number of implicit Hydrogens of the atom.
+    :rtype: int
+    """
+    implicit_hs = d["rdmol_atom"].GetNumImplicitHs()
+    d["num_implicit_h"] = implicit_hs
+    return implicit_hs
+
+
+def num_explicit_h(n: str, d: Dict[str, Any]) -> int:
+    """Adds the number of explicit Hydrogens of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Number of explicit Hydrogens of the atom.
+    :rtype: int
+    """
+    num_explicit_h = d["rdmol_atom"].GetNumExplicitHs()
+    d["num_explicit_h"] = num_explicit_h
+    return num_explicit_h
+
+
+def total_num_h(n: str, d: Dict[str, Any]) -> int:
+    """Adds the total number of Hydrogens of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Total number of Hydrogens of the atom.
+    :rtype: int
+    """
+    total_num_h = d["rdmol_atom"].GetTotalNumHs()
+    d["total_num_h"] = total_num_h
+    return total_num_h
+
+
+def num_radical_electrons(n: str, d: Dict[str, Any]) -> int:
+    """Adds the number of radical electrons of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Number of radical electrons of the atom.
+    :rtype: int
+    """
+    num_radical_electrons = d["rdmol_atom"].GetNumRadicalElectrons()
+    d["num_radical_electrons"] = num_radical_electrons
+    return num_radical_electrons
+
+
+def formal_charge(n: str, d: Dict[str, Any]) -> int:
+    """Adds the formal charge of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Formal charge of the atom.
+    :rtype: int
+    """
+    formal_charge = d["rdmol_atom"].GetFormalCharge()
+    d["formal_charge"] = formal_charge
+    return formal_charge
+
+
+def hybridization(
+    n: str, d: Dict[str, Any]
+) -> rdkit.Chem.rdchem.HybridizationType:
+    """Adds the hybridization of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Hybridization of the atom.
+    :rtype: rdkit.Chem.rdchem.HybridizationType
+    """
+    hybridization = d["rdmol_atom"].GetHybridization()
+    d["hybridization"] = hybridization
+    return hybridization
+
+
+def is_aromatic(n: str, d: Dict[str, Any]) -> bool:
+    """Adds indicator of aromaticity of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Indicator of aromaticity of the atom.
+    :rtype: bool
+    """
+    aromatic = d["rdmol_atom"].GetIsAromatic()
+    d["is_aromatic"] = aromatic
+    return aromatic
+
+
+def is_ring(n: str, d: Dict[str, Any]) -> bool:
+    """Adds indicator of ring membership of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Indicator of ring membership of the atom.
+    :rtype: bool
+    """
+    ring = d["rdmol_atom"].IsInRing()
+    d["is_ring"] = ring
+    return ring
+
+
+def is_ring_size(n: str, d: Dict[str, Any], ring_size: int) -> bool:
+    """Adds indicator of ring membership of size ``ring_size`` of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data.
+    :type d: Dict[str, Any]
+    :param ring_size: The size of the ring to look for.
+    :type ring_size: int
+    :return: Indicator of ring membership of size ``ring_size`` of the atom.
+    :rtype: bool
+    """
+    ring = d["rdmol_atom"].IsInRingSize(ring_size)
+    d[f"is_ring_{ring_size}"] = ring
+    return ring
+
+
+def is_isotope(n: str, d: Dict[str, Any]) -> int:
+    """Adds indicator of whether or not the atom is an isotope to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Indicator of whether or not the atom is an isotope.
+    :rtype: int
+    """
+    is_isotope = d["rdmol_atom"].GetIsotope()
+    d["is_isotope"] = is_isotope
+    return is_isotope
+
+
+def atomic_mass(n: str, d: Dict[str, Any]) -> float:
+    """Adds mass of the atom to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Mass of the atom.
+    :rtype: float
+    """
+    mass = d["rdmol_atom"].GetMass()
+    d["mass"] = mass
+    return mass
+
+
+def chiral_tag(n: str, d: Dict[str, Any]) -> rdkit.Chem.rdchem.ChiralType:
+    """Adds indicator of atom chirality to the node data.
+
+    :param n: Node name, this is unused and only included for compatibility with the other functions.
+    :type n: str
+    :param d: Node data
+    :type d: Dict[str, Any]
+    :return: Indicator of atom chirality.
+    :rtype: rdkit.Chem.rdchem.ChiralType
+    """
+    tag = d["rdmol_atom"].GetChiralTag()
+    d["chiral_tag"] = tag
+    return tag
diff --git a/graphein/protein_ligand/features/nodes/dssp.py b/graphein/protein_ligand/features/nodes/dssp.py
new file mode 100644
index 000000000..4d8aabb89
--- /dev/null
+++ b/graphein/protein_ligand/features/nodes/dssp.py
@@ -0,0 +1,274 @@
+"""Featurization functions for graph nodes using DSSP predicted features."""
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>, Charlie Harris
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+import os
+from typing import Any, Dict, Optional
+
+import networkx as nx
+import pandas as pd
+from Bio.Data.IUPACData import protein_letters_1to3
+from Bio.PDB.DSSP import dssp_dict_from_pdb_file, residue_max_acc
+
+from graphein.protein.utils import download_pdb, is_tool
+
+DSSP_COLS = [
+    "chain",
+    "resnum",
+    "icode",
+    "aa",
+    "ss",
+    "asa",
+    "phi",
+    "psi",
+    "dssp_index",
+    "NH_O_1_relidx",
+    "NH_O_1_energy",
+    "O_NH_1_relidx",
+    "O_NH_1_energy",
+    "NH_O_2_relidx",
+    "NH_O_2_energy",
+    "O_NH_2_relidx",
+    "O_NH_2_energy",
+]
+
+DSSP_SS = ["H", "B", "E", "G", "I", "T", "S"]
+
+
+def parse_dssp_df(dssp: Dict[str, Any]) -> pd.DataFrame:
+    """
+    Parse DSSP output to DataFrame
+
+    :param dssp: Dictionary containing DSSP output
+    :type dssp: Dict[str, Any]
+    :return: pd.Dataframe containing parsed DSSP output
+    :rtype: pd.DataFrame
+    """
+    appender = []
+    for k in dssp[1]:
+        to_append = []
+        y = dssp[0][k]
+        chain = k[0]
+        residue = k[1]
+        # het = residue[0]
+        resnum = residue[1]
+        icode = residue[2]
+        to_append.extend([chain, resnum, icode])
+        to_append.extend(y)
+        appender.append(to_append)
+
+    return pd.DataFrame.from_records(appender, columns=DSSP_COLS)
+
+
+def process_dssp_df(df: pd.DataFrame) -> pd.DataFrame:
+    """
+    Processes a DSSP DataFrame to make indexes align with node IDs
+
+    :param df: pd.DataFrame containing the parsed output from DSSP.
+    :type df: pd.DataFrame
+    :return: pd.DataFrame with node IDs
+    :rtype: pd.DataFrame
+    """
+
+    # Convert 1 letter aa code to 3 letter
+    amino_acids = df["aa"].tolist()
+
+    for i, amino_acid in enumerate(amino_acids):
+        amino_acids[i] = protein_letters_1to3[amino_acid].upper()
+    df["aa"] = amino_acids
+
+    # Construct node IDs
+    node_ids = []
+
+    for i, row in df.iterrows():
+        node_id = row["chain"] + ":" + row["aa"] + ":" + str(row["resnum"])
+        node_ids.append(node_id)
+    df["node_id"] = node_ids
+
+    df.set_index("node_id", inplace=True)
+
+    return df
+
+
+def add_dssp_df(G: nx.Graph, dssp_config: Optional[DSSPConfig]) -> nx.Graph:
+    """
+    Construct DSSP dataframe and add as graph level variable to protein graph
+
+    :param G: Input protein graph
+    :param G: nx.Graph
+    :param dssp_config: DSSPConfig object. Specifies which executable to run. Located in graphein.protein.config
+    :type dssp_config: DSSPConfig, optional
+    :return: Protein graph with DSSP dataframe added
+    :rtype: nx.Graph
+    """
+
+    config = G.graph["config"]
+    pdb_id = G.graph["pdb_id"]
+
+    # Extract DSSP executable
+    executable = dssp_config.executable
+
+    # Ensure that DSSP is on PATH and is marked as an executable.
+    assert is_tool(executable), "DSSP must be on PATH and marked as an executable"
+
+    # Check for existence of pdb file. If not, download it.
+    if not os.path.isfile(config.pdb_dir / pdb_id):
+        pdb_file = download_pdb(config, pdb_id)
+    else:
+        pdb_file = config.pdb_dir + pdb_id + ".pdb"
+
+    if config.verbose:
+        print(f"Using DSSP executable '{executable}'")
+
+    # Run DSSP
+    dssp_dict = dssp_dict_from_pdb_file(pdb_file, DSSP=executable)
+    dssp_dict = parse_dssp_df(dssp_dict)
+    dssp_dict = process_dssp_df(dssp_dict)
+
+    if config.verbose:
+        print(dssp_dict)
+
+    # Assign DSSP Dict
+    G.graph["dssp_df"] = dssp_dict
+
+    return G
+
+
+def add_dssp_feature(G: nx.Graph, feature: str) -> nx.Graph:
+    """
+    Adds add_dssp_feature specified amino acid feature as calculated
+    by DSSP to every node in a protein graph
+    :param G: Protein structure graph to add dssp feature to
+    :param feature: string specifying name of DSSP feature to add:
+    "chain",
+    "resnum",
+    "icode",
+    "aa",
+    "ss",
+    "asa",
+    "phi",
+    "psi",
+    "dssp_index",
+    "NH_O_1_relidx",
+    "NH_O_1_energy",
+    "O_NH_1_relidx",
+    "O_NH_1_energy",
+    "NH_O_2_relidx",
+    "NH_O_2_energy",
+    "O_NH_2_relidx",
+    "O_NH_2_energy",
+
+    These names parse_dssp_df accessible in the DSSP_COLS list
+    :param G: Protein Graph to add features to
+    :type G: nx.Graph
+    :return: Protein structure graph with DSSP feature added to nodes
+    :rtype: nx.Graph
+    """
+    if "dssp_df" not in G.graph:
+        G = add_dssp_df(G, G.graph["config"].dssp_config)
+
+    config = G.graph["config"]
+    dssp_df = G.graph["dssp_df"]
+
+    # Change to not allow for atom granularity?
+    if config.granularity == "atom":
+        # TODO confirm below is not needed and remove
+        """
+        # If granularity is atom, apply residue feature to every atom
+        for n in G.nodes():
+            residue = n.split(":")
+            residue = residue[0] + ":" + residue[1] + ":" + residue[2]
+
+            G.nodes[n][feature] = dssp_df.loc[residue, feature]
+        """
+        raise NameError(
+            f"DSSP residue features ({feature}) \
+            cannot be added to atom granularity graph"
+        )
+
+    else:
+        nx.set_node_attributes(G, dict(dssp_df[feature]), feature)
+
+    if config.verbose:
+        print("Added " + feature + " features to graph nodes")
+
+    return G
+
+
+def rsa(G: nx.Graph) -> nx.Graph:
+    """
+    Adds RSA (relative solvent accessibility) of each residue in protein graph
+    as calculated by DSSP.
+
+    :param G: Input protein graph
+    :type G: nx.Graph
+    :return: Protein graph with rsa values added
+    :rtype: nx.Graph
+    """
+
+    # Calculate RSA
+    try:
+        dssp_df = G.graph["dssp_df"]
+    except KeyError:
+        G = add_dssp_df(G, G.graph["config"].dssp_config)
+        dssp_df = G.graph["dssp_df"]
+    dssp_df["max_acc"] = dssp_df["aa"].map(residue_max_acc["Sander"].get)
+    dssp_df[["asa", "max_acc"]] = dssp_df[["asa", "max_acc"]].astype(float)
+    dssp_df["rsa"] = dssp_df["asa"] / dssp_df["max_acc"]
+
+    G.graph["dssp_df"] = dssp_df
+
+    return add_dssp_feature(G, "rsa")
+
+
+def asa(G: nx.Graph) -> nx.Graph:
+    """
+    Adds ASA of each residue in protein graph as calculated by DSSP.
+
+    :param G: Input protein graph
+    :type G: nx.Graph
+    :return: Protein graph with asa values added
+    :rtype: nx.Graph
+    """
+    return add_dssp_feature(G, "asa")
+
+
+def phi(G: nx.Graph) -> nx.Graph:
+    """
+    Adds phi-angles of each residue in protein graph as calculated by DSSP.
+
+    :param G: Input protein graph
+    :type G: nx.Graph
+    :return: Protein graph with phi-angles values added
+    :rtype: nx.Graph
+    """
+    return add_dssp_feature(G, "phi")
+
+
+def psi(G: nx.Graph) -> nx.Graph:
+    """
+    Adds psi-angles of each residue in protein graph as calculated by DSSP.
+
+    :param G: Input protein graph
+    :type G: nx.Graph
+    :return: Protein graph with psi-angles values added
+    :rtype: nx.Graph
+    """
+    return add_dssp_feature(G, "psi")
+
+
+def secondary_structure(G: nx.Graph) -> nx.Graph:
+    """
+    Adds secondary structure of each residue in protein graph
+    as calculated by DSSP in the form of a string
+
+    :param G: Input protein graph
+    :type G: nx.Graph
+    :return: Protein graph with secondary structure added
+    :rtype: nx.Graph
+    """
+    return add_dssp_feature(G, "ss")
diff --git a/graphein/protein_ligand/features/nodes/geometry.py b/graphein/protein_ligand/features/nodes/geometry.py
new file mode 100644
index 000000000..a376bbad8
--- /dev/null
+++ b/graphein/protein_ligand/features/nodes/geometry.py
@@ -0,0 +1,172 @@
+"""Provides geometry-based featurisation functions."""
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+import logging
+
+import networkx as nx
+import numpy as np
+import pandas as pd
+
+from graphein.protein.utils import filter_dataframe
+
+
+def add_sidechain_vector(
+    g: nx.Graph, scale: bool = True, reverse: bool = False
+):
+    """Adds vector from node to average position of sidechain atoms.
+
+    We compute the mean of the sidechain atoms for each node. For this we use the ``rgroup_df`` dataframe.
+    If the graph does not contain the ``rgroup_df`` dataframe, we compute it from the ``raw_pdb_df``.
+    If scale, we scale the vector to the unit vector. If reverse is True,
+    we reverse the vector (``sidechain - node``). If reverse is false (default) we compute (``node - sidechain``).
+
+    :param g: Graph to add vector to.
+    :type g: nx.Graph
+    :param scale: Scale vector to unit vector. Defaults to ``True``.
+    :type scale: bool
+    :param reverse: Reverse vector. Defaults to ``False``.
+    :type reverse: bool
+    """
+    # Get or compute R-Group DF
+    if "rgroup_df" not in g.graph.keys():
+        g.graph["rgroup_df"] = compute_rgroup_dataframe(g.graph["raw_pdb_df"])
+
+    sc_centroid = g.graph["rgroup_df"].groupby("node_id").mean()
+
+    # Iterate over nodes and compute vector
+    for n, d in g.nodes(data=True):
+        if d["residue_name"] == "GLY":
+            # If GLY, set vector to 0
+            vec = np.array([0, 0, 0])
+        else:
+            if reverse:
+                vec = d["coords"] - np.array(
+                    sc_centroid.loc[n][["x_coord", "y_coord", "z_coord"]]
+                )
+            else:
+                vec = (
+                    np.array(
+                        sc_centroid.loc[n][["x_coord", "y_coord", "z_coord"]]
+                    )
+                    - d["coords"]
+                )
+
+            if scale:
+                vec = vec / np.linalg.norm(vec)
+
+        d["sidechain_vector"] = vec
+
+
+def add_beta_carbon_vector(
+    g: nx.Graph, scale: bool = True, reverse: bool = False
+):
+    """Adds vector from node (typically alpha carbon) to position of beta carbon.
+
+    Glycine does not have a beta carbon, so we set it to ``np.array([0, 0, 0])``.
+    We extract the position of the beta carbon from the unprocessed atomic PDB dataframe.
+    For this we use the ``raw_pdb_df`` dataframe.
+    If scale, we scale the vector to the unit vector. If reverse is True,
+    we reverse the vector (``C beta - node``). If reverse is false (default) we compute (``node - C beta``).
+
+    :param g: Graph to add vector to.
+    :type g: nx.Graph
+    :param scale: Scale vector to unit vector. Defaults to ``True``.
+    :type scale: bool
+    :param reverse: Reverse vector. Defaults to ``False``.
+    :type reverse: bool
+    """
+    # Get or compute R-Group DF
+    if "rgroup_df" not in g.graph.keys():
+        g.graph["rgroup_df"] = compute_rgroup_dataframe(g.graph["raw_pdb_df"])
+
+    c_beta_coords = filter_dataframe(
+        g.graph["rgroup_df"], "atom_name", ["CB"], boolean=True
+    )
+    c_beta_coords.index = c_beta_coords["node_id"]
+
+    # Iterate over nodes and compute vector
+    for n, d in g.nodes(data=True):
+        if d["residue_name"] == "GLY":
+            vec = np.array([0, 0, 0])
+        else:
+            if reverse:
+                vec = d["coords"] - np.array(
+                    c_beta_coords.loc[n][["x_coord", "y_coord", "z_coord"]]
+                )
+            else:
+                vec = (
+                    np.array(
+                        c_beta_coords.loc[n][["x_coord", "y_coord", "z_coord"]]
+                    )
+                    - d["coords"]
+                )
+
+            if scale:
+                vec = vec / np.linalg.norm(vec)
+        d["c_beta_vector"] = vec
+
+
+def add_sequence_neighbour_vector(
+    g: nx.Graph, scale: bool = True, reverse: bool = False, n_to_c: bool = True
+):
+    """Computes vector from node to adjacent node in sequence.
+    Typically used with ``CA`` (alpha carbon) graphs.
+
+    If ``n_to_c`` is ``True`` (default), we compute the vectors from the N terminus to the C terminus (canonical direction).
+    If ``reverse`` is ``False`` (default), we compute ``Node_i - Node_{i+1}``.
+    If ``reverse is ``True``, we compute ``Node_{i+1} - Node_i``.
+    :param g: Graph to add vector to.
+    :type g: nx.Graph
+    :param scale: Scale vector to unit vector. Defaults to ``True``.
+    :type scale: bool
+    :param reverse: Reverse vector. Defaults to ``False``.
+    :type reverse: bool
+    :param n_to_c: Compute vector from N to C or C to N. Defaults to ``True``.
+    :type n_to_c: bool
+    """
+    suffix = "n_to_c" if n_to_c else "c_to_n"
+    # Iterate over every chain
+    for chain_id in g.graph["chain_ids"]:
+
+        # Find chain residues
+        chain_residues = [
+            (n, v) for n, v in g.nodes(data=True) if v["chain_id"] == chain_id
+        ]
+
+        if not n_to_c:
+            chain_residues.reverse()
+
+        # Iterate over every residue in chain
+        for i, residue in enumerate(chain_residues):
+            # Checks not at chain terminus - is this versatile enough?
+            if i == len(chain_residues) - 1:
+                residue[1][f"sequence_neighbour_vector_{suffix}"] = np.array(
+                    [0, 0, 0]
+                )
+                continue
+            # Asserts residues are on the same chain
+            cond_1 = (
+                residue[1]["chain_id"] == chain_residues[i + 1][1]["chain_id"]
+            )
+            # Asserts residue numbers are adjacent
+            cond_2 = (
+                abs(
+                    residue[1]["residue_number"]
+                    - chain_residues[i + 1][1]["residue_number"]
+                )
+                == 1
+            )
+
+            # If this checks out, we compute the vector
+            if (cond_1) and (cond_2):
+                vec = chain_residues[i + 1][1]["coords"] - residue[1]["coords"]
+
+                if reverse:
+                    vec = -vec
+                if scale:
+                    vec = vec / np.linalg.norm(vec)
+
+            residue[1][f"sequence_neighbour_vector_{suffix}"] = vec
diff --git a/graphein/protein_ligand/features/nodes/meiler_embeddings.csv b/graphein/protein_ligand/features/nodes/meiler_embeddings.csv
new file mode 100644
index 000000000..ef844e58d
--- /dev/null
+++ b/graphein/protein_ligand/features/nodes/meiler_embeddings.csv
@@ -0,0 +1,8 @@
+,ALA,ARG,ASN,ASP,CYS,GLN,GLU,GLY,HIS,ILE,LEU,LYS,MET,PHE,PRO,SER,THR,TRP,TYR,VAL
+dim_1,1.28,2.34,1.60,1.60, 1.77, 1.56, 1.56,0.00,2.99,4.19,2.59,1.89,2.35,2.94,2.67,1.31,3.03,3.21,2.94,3.67
+dim_2,0.05,0.29,0.13,0.11, 0.13, 0.18, 0.15,0.00,0.23,0.19,0.19,0.22,0.22,0.29,0.00,0.06,0.11,0.41,0.30,0.14
+dim_3,1.00,6.13,2.95,2.78, 2.43, 3.95,3.78,0.00,4.66,4.00,4.00,4.77,4.43,5.89,2.72,1.60,2.60,8.08,6.47,3.00
+dim_4,0.31,-1.01,-0.60,-0.77, 1.54,-0.22,-0.64,0.00,0.13,1.80,1.70,-0.99,1.23,1.79,0.72,-0.04,0.26,2.25,0.96,1.22
+dim_5,6.11,10.74,6.52,2.95, 6.35,5.65,3.09,6.07,7.69,6.04,6.04,9.99,5.71,5.67,6.80,5.70,5.60,5.94,5.66,6.02
+dim_6,0.42,0.36,0.21,0.25, 0.17,0.35,0.42,0.13,0.27,0.30,0.39,0.32,0.38,0.30,0.13,0.20,0.21,0.32,0.25,0.27
+dim_7,0.23,0.25,0.22,0.20, 0.41,0.25,0.21,0.15,0.30,0.45,0.31,0.27,0.32,0.38,0.34,0.28,0.36,0.42,0.41,0.49
diff --git a/graphein/protein_ligand/features/pretrained_models/__init__.py b/graphein/protein_ligand/features/pretrained_models/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/graphein/protein_ligand/features/pretrained_models/swissprot-reviewed-protvec.model b/graphein/protein_ligand/features/pretrained_models/swissprot-reviewed-protvec.model
new file mode 100644
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diff --git a/graphein/protein_ligand/features/sequence/__init__.py b/graphein/protein_ligand/features/sequence/__init__.py
new file mode 100644
index 000000000..c1127d677
--- /dev/null
+++ b/graphein/protein_ligand/features/sequence/__init__.py
@@ -0,0 +1,4 @@
+from .embeddings import *
+from .propy import *
+from .sequence import *
+from .utils import *
diff --git a/graphein/protein_ligand/features/sequence/embeddings.py b/graphein/protein_ligand/features/sequence/embeddings.py
new file mode 100644
index 000000000..2b30da9f9
--- /dev/null
+++ b/graphein/protein_ligand/features/sequence/embeddings.py
@@ -0,0 +1,254 @@
+"""Functions to add embeddings from pre-trained language models protein structure graphs."""
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+import logging
+import os
+from functools import lru_cache, partial
+from pathlib import Path
+
+import networkx as nx
+
+from graphein.protein.features.sequence.utils import (
+    compute_feature_over_chains,
+    subset_by_node_feature_value,
+)
+from graphein.utils.utils import import_message
+
+log = logging.getLogger(__name__)
+
+
+try:
+    import torch
+except ImportError:
+    message = import_message(
+        submodule="graphein.protein.features.sequence.embeddings",
+        package="torch",
+        pip_install=True,
+        conda_channel="pytorch",
+    )
+    log.warning(message)
+
+try:
+    import biovec
+except ImportError:
+    message = import_message(
+        submodule="graphein.protein.features.sequence.embeddings",
+        package="biovec",
+        pip_install=True,
+    )
+    log.warning(message)
+
+
+@lru_cache()
+def _load_esm_model(model_name: str = "esm1b_t33_650M_UR50S"):
+    """
+    Loads pre-trained FAIR ESM model from torch hub.
+
+        Biological Structure and Function Emerge from Scaling Unsupervised Learning to 250 Million Protein Sequences (2019)
+        Rives, Alexander and Meier, Joshua and Sercu, Tom and Goyal, Siddharth and Lin, Zeming and Liu, Jason and Guo,
+        Demi and Ott, Myle and Zitnick, C. Lawrence and Ma, Jerry and Fergus, Rob
+
+
+        Transformer protein language models are unsupervised structure learners 2020
+        Rao, Roshan M and Meier, Joshua and Sercu, Tom and Ovchinnikov, Sergey and Rives, Alexander
+
+    Pre-trained models:
+    Full Name layers params Dataset Embedding Dim Model URL
+    ========= ====== ====== ======= ============= =========
+    ESM-1b   esm1b_t33_650M_UR50S 33 650M UR50/S 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1b_t33_650M_UR50S.pt
+    ESM1-main esm1_t34_670M_UR50S34 670M UR50/S 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR50S.pt
+    esm1_t34_670M_UR50D 34 670M UR50/D 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR50D.pt
+    esm1_t34_670M_UR100 34 670M UR100 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR100.pt
+    esm1_t12_85M_UR50S 12 85M UR50/S 768 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t12_85M_UR50S.pt
+    esm1_t6_43M_UR50S 6 43M UR50/S 768 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t6_43M_UR50S.pt
+
+    :param model_name: Name of pre-trained model to load
+    :type model_name: str
+    :return: loaded pre-trained model
+    """
+
+    return torch.hub.load("facebookresearch/esm", model_name)
+
+
+def compute_esm_embedding(
+    sequence: str,
+    representation: str,
+    model_name: str = "esm1b_t33_650M_UR50S",
+    output_layer: int = 33,
+) -> np.ndarray:
+    """
+    Computes sequence embedding using Pre-trained ESM model from FAIR
+
+        Biological Structure and Function Emerge from Scaling Unsupervised Learning to 250 Million Protein Sequences (2019)
+        Rives, Alexander and Meier, Joshua and Sercu, Tom and Goyal, Siddharth and Lin, Zeming and Liu, Jason and Guo,
+        Demi and Ott, Myle and Zitnick, C. Lawrence and Ma, Jerry and Fergus, Rob
+
+
+        Transformer protein language models are unsupervised structure learners 2020
+        Rao, Roshan M and Meier, Joshua and Sercu, Tom and Ovchinnikov, Sergey and Rives, Alexander
+
+    Pre-trained models:
+
+    Full Name layers params Dataset Embedding Dim Model URL
+    ========= ====== ====== ======= ============= =========
+    ESM-1b esm1b_t33_650M_UR50S 33 650M UR50/S 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1b_t33_650M_UR50S.pt
+    ESM1-main esm1_t34_670M_UR50S 34 670M UR50/S 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR50S.pt
+    esm1_t34_670M_UR50D 34 670M UR50/D 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR50D.pt
+    esm1_t34_670M_UR100 34 670M UR100 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR100.pt
+    esm1_t12_85M_UR50S 12 85M UR50/S 768 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t12_85M_UR50S.pt
+    esm1_t6_43M_UR50S 6 43M UR50/S 768 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t6_43M_UR50S.pt
+
+    :param sequence: Protein sequence to embed (str)
+    :type sequence: str
+    :param representation: Type of embedding to extract. ``"residue"`` or ``"sequence"``. Sequence-level embeddings are averaged residue embeddings
+    :type representation: str
+    :param model_name: Name of pre-trained model to use
+    :type model_name: str
+    :param output_layer: integer indicating which layer the output should be taken from
+    :type output_layer: int
+    :return: embedding (``np.ndarray``)
+    :rtype: np.ndarray
+    """
+    model, alphabet = _load_esm_model(model_name)
+    batch_converter = alphabet.get_batch_converter()
+
+    data = [
+        ("protein1", sequence),
+    ]
+    batch_labels, batch_strs, batch_tokens = batch_converter(data)
+
+    # Extract per-residue representations (on CPU)
+    with torch.no_grad():
+        results = model(
+            batch_tokens, repr_layers=[output_layer], return_contacts=True
+        )
+    token_representations = results["representations"][output_layer]
+
+    if representation == "residue":
+        return token_representations.numpy()
+
+    # Generate per-sequence representations via averaging
+    # NOTE: token 0 is always a beginning-of-sequence token, so the first residue is token 1.
+    elif representation == "sequence":
+        sequence_representations = []
+        for i, (_, seq) in enumerate(data):
+            sequence_representations.append(
+                token_representations[i, 1 : len(seq) + 1].mean(0)
+            )
+        return sequence_representations[0].numpy()
+
+
+def esm_residue_embedding(
+    G: nx.Graph,
+    model_name: str = "esm1b_t33_650M_UR50S",
+    output_layer: int = 33,
+) -> nx.Graph:
+    """
+    Computes ESM residue embeddings from a protein sequence and adds the to the graph.
+
+        Biological Structure and Function Emerge from Scaling Unsupervised Learning to 250 Million Protein Sequences (2019)
+        Rives, Alexander and Meier, Joshua and Sercu, Tom and Goyal, Siddharth and Lin, Zeming and Liu, Jason and Guo,
+        Demi and Ott, Myle and Zitnick, C. Lawrence and Ma, Jerry and Fergus, Rob
+
+
+        Transformer protein language models are unsupervised structure learners 2020
+        Rao, Roshan M and Meier, Joshua and Sercu, Tom and Ovchinnikov, Sergey and Rives, Alexander
+
+    **Pre-trained models**
+
+    =========                     ====== ====== ======= ============= =========
+    Full Name                     layers params Dataset Embedding Dim Model URL
+    =========                     ====== ====== ======= ============= =========
+    ESM-1b esm1b_t33_650M_UR50S   33    650M   UR50/S     1280        https://dl.fbaipublicfiles.com/fair-esm/models/esm1b_t33_650M_UR50S.pt
+    ESM1-main esm1_t34_670M_UR50S 34    670M   UR50/S     1280        https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR50S.pt
+    esm1_t34_670M_UR50D           34    670M   UR50/D     1280        https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR50D.pt
+    esm1_t34_670M_UR100           34    670M   UR100      1280        https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR100.pt
+    esm1_t12_85M_UR50S            12    85M    UR50/S     768         https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t12_85M_UR50S.pt
+    esm1_t6_43M_UR50S             6     43M    UR50/S     768         https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t6_43M_UR50S.pt
+    =========                     ====== ====== ======= ============= =========
+
+    :param G: ``nx.Graph`` to add esm embedding to.
+    :type G: nx.Graph
+    :param model_name: Name of pre-trained model to use.
+    :type model_name: str
+    :param output_layer: index of output layer in pre-trained model.
+    :type output_layer: int
+    :return: ``nx.Graph`` with esm embedding feature added to nodes.
+    :rtype: nx.Graph
+    """
+
+    for chain in G.graph["chain_ids"]:
+        embedding = compute_esm_embedding(
+            G.graph[f"sequence_{chain}"],
+            representation="residue",
+            model_name=model_name,
+            output_layer=output_layer,
+        )
+        # remove start and end tokens from per-token residue embeddings
+        embedding = embedding[0, 1:-1]
+        subgraph = subset_by_node_feature_value(G, "chain_id", chain)
+
+        for i, (n, d) in enumerate(subgraph.nodes(data=True)):
+            G.nodes[n]["esm_embedding"] = embedding[i]
+
+    return G
+
+
+def esm_sequence_embedding(G: nx.Graph) -> nx.Graph:
+    """
+    Computes ESM sequence embedding feature over chains in a graph.
+
+    :param G: nx.Graph protein structure graph.
+    :type G: nx.Graph
+    :return: nx.Graph protein structure graph with esm embedding features added eg. ``G.graph["esm_embedding_A"]`` for chain A.
+    :rtype: nx.Graph
+    """
+    func = partial(compute_esm_embedding, representation="sequence")
+    G = compute_feature_over_chains(G, func, feature_name="esm_embedding")
+
+    return G
+
+
+@lru_cache()
+def _load_biovec_model():
+    """Loads pretrained ProtVec Model.
+
+    **Source**
+
+        ProtVec: A Continuous Distributed Representation of Biological Sequences
+
+    Paper: http://arxiv.org/pdf/1503.05140v1.pdf
+    """
+
+    return biovec.models.load_protvec(
+        os.fspath(
+            Path(__file__).parent.parent
+            / "pretrained_models"
+            / "swissprot-reviewed-protvec.model"
+        )
+    )
+
+
+def biovec_sequence_embedding(G: nx.Graph) -> nx.Graph:
+    """
+    Adds BioVec sequence embedding feature to the graph. Computed over chains.
+
+    **Source**
+        ProtVec: A Continuous Distributed Representation of Biological Sequences
+
+    Paper: http://arxiv.org/pdf/1503.05140v1.pdf
+
+    :param G: nx.Graph protein structure graph.
+    :type G: nx.Graph
+    :return: nx.Graph protein structure graph with biovec embedding added. e.g. ``G.graph["biovec_embedding_A"]`` for chain ``A``.
+    :rtype: nx.Graph
+    """
+    pv = _load_biovec_model()
+    func = pv.to_vecs
+    G = compute_feature_over_chains(G, func, feature_name="biovec_embedding")
+    return G
diff --git a/graphein/protein_ligand/features/sequence/propy.py b/graphein/protein_ligand/features/sequence/propy.py
new file mode 100644
index 000000000..345d8f5a3
--- /dev/null
+++ b/graphein/protein_ligand/features/sequence/propy.py
@@ -0,0 +1,1832 @@
+# %%
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>, Eric Ma
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+
+# TODO: This the docstrings inside this module's set of functions
+# can do without the `type`s.
+# This is because the types are already annotated on the function.
+
+import logging
+from functools import partial
+from typing import Any, Callable, Dict, List, Optional
+
+import networkx as nx
+
+from graphein.protein.features.sequence.utils import (
+    aggregate_feature_over_chains,
+    compute_feature_over_chains,
+)
+from graphein.protein.features.utils import (
+    aggregate_graph_feature_over_chains,
+    convert_graph_dict_feat_to_series,
+)
+
+log = logging.getLogger(__name__)
+
+
+def compute_propy_feature(
+    G: nx.Graph,
+    func: Callable,
+    feature_name: str,
+    aggregation_type: Optional[List[str]] = None,
+) -> nx.Graph:
+    """
+    Computes Propy Descriptors over chains in a Protein Graph
+
+    :param G: Protein Graph
+    :type G: nx.Graph
+    :param func: ProPy wrapper function to compute
+    :type func: Callable
+    :param feature_name: Name of feature to index it in the nx.Graph object
+    :type feature_name: str
+    :param aggregation_type: Type of aggregation to use when aggregating a feature over multiple chains. One of:
+        ["mean", "man", "sum"]. Defaults to None.
+    :type aggregation_type: List[str], optional
+    :return G: Returns protein Graph with features added. Features are accessible with G.graph[{feature_name}_{chain | aggegation_type}]
+    :rtype: nx.Graph
+    """
+    G = compute_feature_over_chains(G, func, feature_name=feature_name)
+
+    # Convert to Series
+    G = convert_graph_dict_feat_to_series(G, feature_name=feature_name)
+
+    # Aggregate features
+    if len(G.graph["chain_ids"]) > 1:
+        if aggregation_type:
+            G = aggregate_graph_feature_over_chains(
+                G, feature_name=feature_name, aggregation_type=aggregation_type
+            )
+    else:
+        log.debug("Aggregation not carried out on single-chain graph")
+    return G
+
+
+def amino_acid_composition(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate the composition of Amino acids for a given protein sequence.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use
+    :type aggregation_type: Optional[List[str]]
+    :return: Protein Graph with amino_acid_composition feature added. G.graph["amino_acid_composition_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.AAComposition import CalculateAAComposition
+
+    func = CalculateAAComposition
+    feature_name = "amino_acid_composition"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def dipeptide_composition(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate the composition of dipeptidefor a given protein sequence. Contains composition of 400 dipeptides
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with dipeptide_composition feature added. G.graph["dipeptide_composition_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.AAComposition import CalculateDipeptideComposition
+
+    func = CalculateDipeptideComposition
+    feature_name = "dipeptide_composition"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def aa_dipeptide_composition(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate the composition of AADs, dipeptide and 3-mers for a given protein sequence. Contains all composition
+        values of AADs, dipeptide and 3-mers (8420).
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with aa_dipeptide_composition feature added.
+        G.graph["aa_dipeptide_composition_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.AAComposition import CalculateAADipeptideComposition
+
+    func = CalculateAADipeptideComposition
+    feature_name = "aa_dipeptide_composition"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def aa_spectrum(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate the spectrum descriptors of 3-mers for a given protein. Contains the composition values of 8000 3-mers
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with aa_spectrum feature added. G.graph["aa_spectrum_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.AAComposition import GetSpectrumDict
+
+    func = GetSpectrumDict
+    feature_name = "aa_spectrum"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+######## CTD Funcs #######
+
+
+def all_composition_descriptors(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate all composition descriptors based on seven different properties of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with composition_descriptors feature added.
+        G.graph["composition_descriptors_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateC
+
+    func = CalculateC
+    feature_name = "composition_descriptors"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def all_ctd_descriptors(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate all CTD descriptors based seven different properties of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with ctd_descriptors feature added.
+        G.graph["ctd_descriptors_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateCTD
+
+    func = CalculateCTD
+    feature_name = "ctd_descriptors"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def composition_descriptor(
+    G: nx.Graph,
+    AAProperty: Dict[Any, Any],
+    AAPName: str,
+    aggregation_type: Optional[List[str]] = None,
+) -> nx.Graph:
+    """
+    Compute composition descriptors.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param AAProperty: contains classification of amino acids such as _Polarizability.
+    :type AAProperty: Dict[Any, Any]
+    :param AAPName: used for indicating a AAP name.
+    :type AAPName: str
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with composition_{AAPName} feature added.
+        G.graph["composition_{AAPName}_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateComposition
+
+    func = partial(
+        CalculateComposition, AAProperty=AAProperty, AAPName=AAPName
+    )
+    feature_name = f"composition_{AAPName}"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def composition_charge(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate composition descriptors based on Charge of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with composition_charge feature added.
+        G.graph["composition_charge_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateCompositionCharge
+
+    func = CalculateCompositionCharge
+    feature_name = "composition_charge"
+
+    G = compute_feature_over_chains(G, func, feature_name="composition_charge")
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def composition_hydrophobicity(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate composition descriptors based on Hydrophobicity of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with composition_hydrophobicity feature added.
+        G.graph["composition_hydrophobicity_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateCompositionHydrophobicity
+
+    func = CalculateCompositionHydrophobicity
+    feature_name = "composition_hydrophobicity"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def composition_normalized_vdwv(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate composition descriptors based on NormalizedVDWV of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with composition_normalized_vdwv feature added.
+        G.graph["composition_normalized_vdwv_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateCompositionNormalizedVDWV
+
+    func = CalculateCompositionNormalizedVDWV
+    feature_name = "composition_normalised_vdwv"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def composition_polarity(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate composition descriptors based on Polarity of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with composition_polarity feature added.
+        G.graph["composition_polarity_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateCompositionPolarity
+
+    func = CalculateCompositionPolarity
+    feature_name = "composition_polarity"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def composition_polarizability(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate composition descriptors based on Polarizability of AADs.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with composition_polarizability feature added.
+        G.graph["composition_polarizability_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateCompositionPolarizability
+
+    func = CalculateCompositionPolarizability
+    feature_name = "composition_polarizability"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def composition_secondary_str(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate composition descriptors based on SecondaryStr of AADs.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with composition_secondary_str feature added.
+        G.graph["composition_secondary_str_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateCompositionSecondaryStr
+
+    func = CalculateCompositionSecondaryStr
+    feature_name = "composition_secondary_str"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def composition_solvent_accessibility(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate composition descriptors based on SolventAccessibility of AADs.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with composition_solvent_accessibility feature added.
+        G.graph["composition_solvent_accessibility_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateCompositionSolventAccessibility
+
+    func = CalculateCompositionSolventAccessibility
+    feature_name = "composition_solvent_accessibility"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def all_distribution_descriptors(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate all distribution descriptors based on seven different properties of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with distribution_descriptors feature added.
+        G.graph["distribution_descriptors_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateC
+
+    func = CalculateC
+    feature_name = "distribution_descriptors"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def distribution_descriptor(
+    G: nx.Graph,
+    AAProperty: Dict[Any, Any],
+    AAPName: str,
+    aggregation_type: Optional[List[str]] = None,
+) -> nx.Graph:
+    """
+    Compute distribution descriptors.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param AAProperty: contains classifciation of amino acids such as _Polarizability.
+    :type AAProperty: Dict[Any, Any]
+    :param AAPName: used for indicating a AAP name.
+    :type AAPName: str
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with distribution_{AAPName} feature added.
+        G.graph["distribution_{AAPName}_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateDistribution
+
+    func = partial(
+        CalculateDistribution, AAProperty=AAProperty, AAPName=AAPName
+    )
+    feature_name = f"distribution_{AAPName}"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def distribution_charge(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate distribution descriptors based on Charge of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with distribution_charge feature added.
+        G.graph["distribution_charge_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateDistributionCharge
+
+    func = CalculateDistributionCharge
+    feature_name = "distribution_charge"
+
+    G = compute_feature_over_chains(
+        G, func, feature_name="distribution_charge"
+    )
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def distribution_hydrophobicity(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate distribution descriptors based on Hydrophobicity of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with distribution_hydrophobicity feature added.
+        G.graph["distribution_hydrophobicity_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateDistributionHydrophobicity
+
+    func = CalculateDistributionHydrophobicity
+    feature_name = "distribution_hydrophobicity"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def distribution_normalized_vdwv(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate distribution descriptors based on NormalizedVDWV of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with distribution_normalized_vdwv feature added.
+        G.graph["distribution_normalized_vdwv_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateDistributionNormalizedVDWV
+
+    func = CalculateDistributionNormalizedVDWV
+    feature_name = "distribution_normalised_vdwv"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def distribution_polarity(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate distribution descriptors based on Polarity of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with distribution_polarity feature added.
+        G.graph["distribution_polarity_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateDistributionPolarity
+
+    func = CalculateDistributionPolarity
+    feature_name = "distribution_polarity"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def distribution_polarizability(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate distribution descriptors based on Polarizability of AADs.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with distribution_polarizability feature added.
+        G.graph["distribution_polarizability_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateDistributionPolarizability
+
+    func = CalculateDistributionPolarizability
+    feature_name = "distribution_polarizability"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def distribution_secondary_str(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate distribution descriptors based on SecondaryStr of AADs.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with distribution_secondary_str feature added.
+        G.graph["distribution_secondary_str_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateDistributionSecondaryStr
+
+    func = CalculateDistributionSecondaryStr
+    feature_name = "distribution_secondary_str"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def distribution_solvent_accessibility(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate distribution descriptors based on SolventAccessibility of AADs.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with distribution_solvent_accessibility feature added.
+        G.graph["distribution_solvent_accessibility_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateDistributionSolventAccessibility
+
+    func = CalculateDistributionSolventAccessibility
+    feature_name = "distribution_solvent_accessibility"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def all_transition_descriptors(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate all transition descriptors based on seven different properties of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with transition_descriptors feature added.
+        G.graph["transition_descriptors_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateC
+
+    func = CalculateC
+    feature_name = "transition_descriptors"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def transition_descriptor(
+    G: nx.Graph,
+    AAProperty: Dict[Any, Any],
+    AAPName: str,
+    aggregation_type: Optional[List[str]] = None,
+) -> nx.Graph:
+    """
+    Compute transition descriptors.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param AAProperty: contains classifciation of amino acids such as _Polarizability.
+    :type AAProperty: Dict[Any, Any]
+    :param AAPName: used for indicating a AAP name.
+    :type AAPName: str
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with transition_{AAPName} feature added.
+        G.graph["transition_{AAPName}_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateTransition
+
+    func = partial(CalculateTransition, AAProperty=AAProperty, AAPName=AAPName)
+    feature_name = f"transition_{AAPName}"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def transition_charge(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate transition descriptors based on Charge of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with transition_charge feature added.
+        G.graph["transition_charge_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateTransitionCharge
+
+    func = CalculateTransitionCharge
+    feature_name = "transition_charge"
+
+    G = compute_feature_over_chains(G, func, feature_name="transition_charge")
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def transition_hydrophobicity(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Calculate transition descriptors based on Hydrophobicity of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with transition_hydrophobicity feature added.
+        G.graph["transition_hydrophobicity_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateTransitionHydrophobicity
+
+    func = CalculateTransitionHydrophobicity
+    feature_name = "transition_hydrophobicity"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def transition_normalized_vdwv(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate transition descriptors based on NormalizedVDWV of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with transition_normalized_vdwv feature added.
+        G.graph["transition_normalized_vdwv_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateTransitionNormalizedVDWV
+
+    func = CalculateTransitionNormalizedVDWV
+    feature_name = "transition_normalised_vdwv"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def transition_polarity(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate transition descriptors based on Polarity of AADs.
+
+    :param G: Protein Graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with transition_polarity feature added.
+        G.graph["transition_polarity_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateTransitionPolarity
+
+    func = CalculateTransitionPolarity
+    feature_name = "transition_polarity"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def transition_polarizability(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate transition descriptors based on Polarizability of AADs.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with transition_polarizability feature added.
+        G.graph["transition_polarizability_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateTransitionPolarizability
+
+    func = CalculateTransitionPolarizability
+    feature_name = "transition_polarizability"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def transition_secondary_str(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate transition descriptors based on SecondaryStr of AADs.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with transition_secondary_str feature added.
+        G.graph["transition_secondary_str_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateTransitionSecondaryStr
+
+    func = CalculateTransitionSecondaryStr
+    feature_name = "transition_secondary_str"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def transition_solvent_accessibility(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate transition descriptors based on SolventAccessibility of AADs.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with transition_solvent_accessibility feature added.
+        G.graph["transition_solvent_accessibility_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.CTD import CalculateTransitionSolventAccessibility
+
+    func = CalculateTransitionSolventAccessibility
+    feature_name = "transition_solvent_accessibility"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+####### Autocorrelation descriptors ########
+
+
+def autocorrelation_total(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Compute all autocorrelation descriptors based on 8 properties of AADs. result contains 30*8*3=720 normalized Moreau
+        Broto, Moran, and Geary
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_total feature added.
+        G.graph["autocorrelation_total_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateAutoTotal
+
+    func = CalculateAutoTotal
+    feature_name = "autocorrelation_total"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_geary_all(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Compute Geary autocorrelation descriptors based on 8 properties of AADs. Result contains 30*8=240 Geary
+        autocorrelation descriptors based on the given properties(i.e., _AAPropert).
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_geary_all feature added.
+        G.graph["autocorrelation_geary_all_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateGearyAutoTotal
+
+    func = CalculateGearyAutoTotal
+    feature_name = "autocorrelation_geary_all"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_geary_av_flexibility(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Geary Autocorrelation descriptors based on AvFlexibility. contains 30 Geary Autocorrelation
+        descriptors based on AvFlexibility.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_geary_av_flexibility feature added.
+        G.graph["autocorrelation_geary_av_flexibility_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateGearyAutoAvFlexibility
+
+    func = CalculateGearyAutoAvFlexibility
+    feature_name = "autocorrelation_geary_av_flexibility"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_geary_free_energy(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Geary Autocorrelation descriptors based on FreeEnergy. result contains 30 Geary Autocorrelation
+        descriptors based on FreeEnergy.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_geary_free_energy feature added.
+        G.graph["autocorrelation_geary_av_free_energy_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateGearyAutoFreeEnergy
+
+    func = CalculateGearyAutoFreeEnergy
+    feature_name = "autocorrelation_geary_free_energy"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_geary_hydrophobicity(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Geary Autocorrelation descriptors based on hydrophobicity. result contains 30 Geary Autocorrelation
+        descriptors based on hydrophobicity.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_geary_hydrophobicity feature added.
+        G.graph["autocorrelation_geary_hydrophobicity_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateGearyAutoHydrophobicity
+
+    func = CalculateGearyAutoHydrophobicity
+    feature_name = "autocorrelation_geary_hydrophobicity"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_geary_mutability(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Geary Autocorrelation descriptors based on Mutability. result contains 30 Geary Autocorrelation
+        descriptors based on mutability.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_geary_mutability feature added.
+        G.graph["autocorrelation_geary_mutability_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateGearyAutoMutability
+
+    func = CalculateGearyAutoMutability
+    feature_name = "autocorrelation_geary_mutability"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_geary_polarizability(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Geary Autocorrelation descriptors based on polarizability. result contains 30 Geary Autocorrelation
+        descriptors based on polarizability.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_geary_polarizability feature added.
+        G.graph["autocorrelation_geary_polarizability_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateGearyAutoPolarizability
+
+    func = CalculateGearyAutoPolarizability
+    feature_name = "autocorrelation_geary_polarizability"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_geary_residue_asa(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Geary Autocorrelation descriptors based on ResidueASA. result contains 30 Geary Autocorrelation
+        descriptors based on ResidueASA.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_geary_residue_asa feature added.
+        G.graph["autocorrelation_geary_residue_asa_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateGearyAutoResidueASA
+
+    func = CalculateGearyAutoResidueASA
+    feature_name = "autocorrelation_geary_residue_asa"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_geary_residue_vol(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Geary Autocorrelation descriptors based on ResidueVol. result contains 30 Geary Autocorrelation
+        descriptors based on ResidueVol.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_geary_residue_vol feature added.
+        G.graph["autocorrelation_geary_residue_vol_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateGearyAutoResidueVol
+
+    func = CalculateGearyAutoResidueVol
+    feature_name = "autocorrelation_geary_residue_vol"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_geary_steric(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Geary Autocorrelation descriptors based on Steric. result contains 30 Geary Autocorrelation
+        descriptors based on Steric
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_geary_steric feature added.
+        G.graph["autocorrelation_geary_steric_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateGearyAutoSteric
+
+    func = CalculateGearyAutoSteric()
+    feature_name = "autocorrelation_geary_steric"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_moran_all(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Compute Moran autocorrelation descriptors based on 8 properties of AADs. Result contains 30*8=240 Moran
+        autocorrelation descriptors based on the given properties(i.e., _AAPropert).
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_moran_all feature added.
+        G.graph["autocorrelation_moran_all_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateMoranAutoTotal
+
+    func = CalculateMoranAutoTotal
+    feature_name = "autocorrelation_moran_all"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_moran_av_flexibility(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Moran Autocorrelation descriptors based on AvFlexibility. contains 30 Moran Autocorrelation
+        descriptors based on AvFlexibility.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_moran_av_flexibility feature added.
+        G.graph["autocorrelation_moran_av_flexibility_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateMoranAutoAvFlexibility
+
+    func = CalculateMoranAutoAvFlexibility
+    feature_name = "autocorrelation_moran_av_flexibility"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_moran_free_energy(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Moran Autocorrelation descriptors based on FreeEnergy. result contains 30 Moran Autocorrelation
+        descriptors based on FreeEnergy.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_moran_free_energy feature added.
+        G.graph["autocorrelation_moran_av_free_energy_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateMoranAutoFreeEnergy
+
+    func = CalculateMoranAutoFreeEnergy
+    feature_name = "autocorrelation_moran_free_energy"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_moran_hydrophobicity(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Moran Autocorrelation descriptors based on hydrophobicity. result contains 30 Moran Autocorrelation
+        descriptors based on hydrophobicity.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_moran_hydrophobicity feature added.
+        G.graph["autocorrelation_moran_hydrophobicity_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateMoranAutoHydrophobicity
+
+    func = CalculateMoranAutoHydrophobicity
+    feature_name = "autocorrelation_moran_hydrophobicity"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_moran_mutability(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Moran Autocorrelation descriptors based on Mutability. result contains 30 Moran Autocorrelation
+        descriptors based on mutability.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_moran_mutability feature added.
+        G.graph["autocorrelation_moran_mutability_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateMoranAutoMutability
+
+    func = CalculateMoranAutoMutability
+    feature_name = "autocorrelation_moran_mutability"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_moran_polarizability(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Moran Autocorrelation descriptors based on polarizability. result contains 30 Moran Autocorrelation
+        descriptors based on polarizability.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_moran_polarizability feature added.
+        G.graph["autocorrelation_moran_polarizability_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateMoranAutoPolarizability
+
+    func = CalculateMoranAutoPolarizability
+    feature_name = "autocorrelation_moran_polarizability"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_moran_residue_asa(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Moran Autocorrelation descriptors based on ResidueASA. result contains 30 Moran Autocorrelation
+        descriptors based on ResidueASA.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_moran_residue_asa feature added.
+        G.graph["autocorrelation_moran_residue_asa_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateMoranAutoResidueASA
+
+    func = CalculateMoranAutoResidueASA
+    feature_name = "autocorrelation_moran_residue_asa"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_moran_residue_vol(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Moran Autocorrelation descriptors based on ResidueVol. result contains 30 Moran Autocorrelation
+        descriptors based on ResidueVol.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_moran_residue_vol feature added.
+        G.graph["autocorrelation_moran_residue_vol_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateMoranAutoResidueVol
+
+    func = CalculateMoranAutoResidueVol
+    feature_name = "autocorrelation_moran_residue_vol"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_moran_steric(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the Moran Autocorrelation descriptors based on Steric. result contains 30 Moran Autocorrelation
+        descriptors based on Steric
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_moran_steric feature added.
+        G.graph["autocorrelation_moran_steric_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateMoranAutoSteric
+
+    func = CalculateMoranAutoSteric()
+    feature_name = "autocorrelation_moran_steric"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_normalized_moreau_broto_all(
+    G: nx.Graph, aggregation_type: Optional[List[str]] = None
+) -> nx.Graph:
+    """
+    Compute NormalizedMoreauBroto autocorrelation descriptors based on 8 properties of AADs. Result contains 30*8=240
+        NormalizedMoreauBroto autocorrelation descriptors based on the given properties(i.e., _AAPropert).
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_normalized_moreau_broto_all feature added.
+        G.graph["autocorrelation_normalized_moreau_broto_all_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateNormalizedMoreauBrotoAutoTotal
+
+    func = CalculateNormalizedMoreauBrotoAutoTotal
+    feature_name = "autocorrelation_normalized_moreau_broto_all"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_normalized_moreau_broto_av_flexibility(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on AvFlexibility. contains 30
+        NormalizedMoreauBroto Autocorrelation descriptors based on AvFlexibility.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_normalized_moreau_broto_av_flexibility feature added.
+        G.graph["autocorrelation_normalized_moreau_broto_av_flexibility_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import (
+        CalculateNormalizedMoreauBrotoAutoAvFlexibility,
+    )
+
+    func = CalculateNormalizedMoreauBrotoAutoAvFlexibility
+    feature_name = "autocorrelation_normalized_moreau_broto_av_flexibility"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_normalized_moreau_broto_free_energy(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on FreeEnergy. result contains 30
+        NormalizedMoreauBroto Autocorrelation descriptors based on FreeEnergy.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_normalized_moreau_broto_free_energy feature added.
+        G.graph["autocorrelation_normalized_moreau_broto_av_free_energy_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import (
+        CalculateNormalizedMoreauBrotoAutoFreeEnergy,
+    )
+
+    func = CalculateNormalizedMoreauBrotoAutoFreeEnergy
+    feature_name = "autocorrelation_normalized_moreau_broto_free_energy"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_normalized_moreau_broto_hydrophobicity(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on hydrophobicity. result contains 30
+        NormalizedMoreauBroto Autocorrelation descriptors based on hydrophobicity.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_normalized_moreau_broto_hydrophobicity feature added.
+        G.graph["autocorrelation_normalized_moreau_broto_hydrophobicity_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import (
+        CalculateNormalizedMoreauBrotoAutoHydrophobicity,
+    )
+
+    func = CalculateNormalizedMoreauBrotoAutoHydrophobicity
+    feature_name = "autocorrelation_normalized_moreau_broto_hydrophobicity"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_normalized_moreau_broto_mutability(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on Mutability. result contains 30
+        NormalizedMoreauBroto Autocorrelation descriptors based on mutability.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_normalized_moreau_broto_mutability feature added.
+        G.graph["autocorrelation_normalized_moreau_broto_mutability_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import (
+        CalculateNormalizedMoreauBrotoAutoMutability,
+    )
+
+    func = CalculateNormalizedMoreauBrotoAutoMutability
+    feature_name = "autocorrelation_normalized_moreau_broto_mutability"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_normalized_moreau_broto_polarizability(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on polarizability. result contains 30
+        NormalizedMoreauBroto Autocorrelation descriptors based on polarizability.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_normalized_moreau_broto_polarizability feature added.
+        G.graph["autocorrelation_normalized_moreau_broto_polarizability_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import (
+        CalculateNormalizedMoreauBrotoAutoPolarizability,
+    )
+
+    func = CalculateNormalizedMoreauBrotoAutoPolarizability
+    feature_name = "autocorrelation_normalized_moreau_broto_polarizability"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_normalized_moreau_broto_residue_asa(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on ResidueASA. result contains 30
+        NormalizedMoreauBroto Autocorrelation descriptors based on ResidueASA.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_normalized_moreau_broto_residue_asa feature added.
+        G.graph["autocorrelation_normalized_moreau_broto_residue_asa_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import (
+        CalculateNormalizedMoreauBrotoAutoResidueASA,
+    )
+
+    func = CalculateNormalizedMoreauBrotoAutoResidueASA
+    feature_name = "autocorrelation_normalized_moreau_broto_residue_asa"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_normalized_moreau_broto_residue_vol(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on ResidueVol. result contains 30
+        NormalizedMoreauBroto Autocorrelation descriptors based on ResidueVol.
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_normalized_moreau_broto_residue_vol feature added.
+        G.graph["autocorrelation_normalized_moreau_broto_residue_vol_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import (
+        CalculateNormalizedMoreauBrotoAutoResidueVol,
+    )
+
+    func = CalculateNormalizedMoreauBrotoAutoResidueVol
+    feature_name = "autocorrelation_normalized_moreau_broto_residue_vol"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+def autocorrelation_normalized_moreau_broto_steric(
+    G: nx.Graph, aggregation_type: Optional[List[str]]
+) -> nx.Graph:
+    """
+    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on Steric. result contains 30
+        NormalizedMoreauBroto Autocorrelation descriptors based on Steric
+
+    :param G: Protein graph to featurise
+    :type G: nx.Graph
+    :param aggregation_type: Aggregation types to use over chains
+    :type aggregation_type: List[Optional[str]]
+    :return: Protein Graph with autocorrelation_normalized_moreau_broto_steric feature added.
+        G.graph["autocorrelation_normalized_moreau_broto_steric_{chain | aggregation_type}"]
+    :rtype: nx.Graph
+    """
+    from propy.Autocorrelation import CalculateNormalizedMoreauBrotoAutoSteric
+
+    func = CalculateNormalizedMoreauBrotoAutoSteric()
+    feature_name = "autocorrelation_normalized_moreau_broto_steric"
+
+    return compute_propy_feature(
+        G,
+        func=func,
+        feature_name=feature_name,
+        aggregation_type=aggregation_type,
+    )
+
+
+####### Quasi Sequence Order Descriptors ######
+
+
+def quasi_sequence_order_aa_composition(G: nx.Graph) -> nx.Graph:
+    from propy.QuasiSequenceOrder import GetAAComposition
+
+    func = GetAAComposition
+    G = compute_feature_over_chains(
+        G, func, feature_name="quasi_seq_order_aa_composition"
+    )
+
+    return G
+
+
+def quasi_sequence_order(
+    G: nx.Graph, maxlag: int = 30, weight: float = 0.1
+) -> nx.Graph:
+    """
+    Compute quasi-sequence-order descriptors for a given protein.
+
+    Kuo-Chen Chou. Prediction of Protein Subcellar Locations by Incorporating Quasi-Sequence-Order Effect.
+        Biochemical and Biophysical Research Communications 2000, 278, 477-483.
+
+    :param maxlag: (int, optional (default: 30)) – the maximum lag and the length of the protein should be larger than
+        maxlag
+    :type maxlag: int
+    :param weight: (float, optional (default: 0.1)) – a weight factor. Please see reference 1 for its choice.
+    :type weight: float
+    :returns:
+    :rtype: nx.Graph
+    """
+    from propy.QuasiSequenceOrder import GetQuasiSequenceOrder
+
+    func = partial(GetQuasiSequenceOrder, weight=weight, maxlag=maxlag)
+    G = compute_feature_over_chains(
+        G, func, feature_name="quasi_sequence_order"
+    )
+    return G
+
+
+def sequence_order_coupling_number_total(
+    G: nx.Graph, maxlag: int = 30
+) -> nx.Graph:
+    """
+    Compute the sequence order coupling numbers from 1 to maxlag for a given protein sequence.
+
+    :param G: Protein Graph
+    :type G: nx.Graph
+    :param maxlag (int, optional (default: 30)) – the maximum lag and the length of the protein should be larger
+    :type maxlag: int
+    :returns:
+    :rtype: nx.Graph
+    """
+    from propy.QuasiSequenceOrder import GetSequenceOrderCouplingNumberTotal
+
+    func = partial(GetSequenceOrderCouplingNumberTotal, maxlag=maxlag)
+    G = compute_feature_over_chains(
+        G, func, feature_name="sequence_order_coupling_number_total"
+    )
+
+    return G
+
+
+# Todo feature aggregation
+
+if __name__ == "__main__":
+    pass
diff --git a/graphein/protein_ligand/features/sequence/sequence.py b/graphein/protein_ligand/features/sequence/sequence.py
new file mode 100644
index 000000000..597ad56ab
--- /dev/null
+++ b/graphein/protein_ligand/features/sequence/sequence.py
@@ -0,0 +1,38 @@
+"""Functions for graph-level featurization of the sequence of a protein. This submodule is focussed on physicochemical
+proporties of the sequence."""
+# %%
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>, Eric Ma
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+from functools import partial
+
+import networkx as nx
+from Bio import SeqUtils
+from multipledispatch import dispatch
+
+from graphein.protein.features.sequence.utils import (
+    aggregate_feature_over_chains,
+    compute_feature_over_chains,
+)
+
+# from graphein.protein.features.utils import aggregate_graph_feature_over_chains
+
+
+@dispatch(str, str)
+def molecular_weight(protein: str, seq_type: str = "protein"):
+    func = partial(SeqUtils.molecular_weight, seq_type=seq_type)
+
+    return func(protein)
+
+
+@dispatch(nx.Graph, seq_type=str)
+def molecular_weight(protein, seq_type: str = "protein"):
+    func = partial(SeqUtils.molecular_weight, seq_type=seq_type)
+
+    return compute_feature_over_chains(
+        protein, func, feature_name="molecular_weight"
+    )
diff --git a/graphein/protein_ligand/features/sequence/utils.py b/graphein/protein_ligand/features/sequence/utils.py
new file mode 100644
index 000000000..27866e00d
--- /dev/null
+++ b/graphein/protein_ligand/features/sequence/utils.py
@@ -0,0 +1,112 @@
+"""Utility functions for sequence-based featurisation."""
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from typing import Any, Callable, List
+
+import networkx as nx
+import numpy as np
+
+
+def compute_feature_over_chains(
+    G: nx.Graph, func: Callable, feature_name: str
+) -> nx.Graph:
+    """
+    Computes a sequence featurisation function over the chains in a graph.
+
+    :param G: nx.Graph protein structure graph to featurise.
+    :type G: nx.Graph
+    :param func: Sequence featurisation function.
+    :type func: Callable
+    :param feature_name: name of added feature.
+    :type feature_name: str
+    :return: Graph with added features of the form ``G.graph[f"{feature_name}_{chain_id}"]``.
+    :rtype: nx.Graph
+    """
+    for c in G.graph["chain_ids"]:
+        G.graph[f"{feature_name}_{c}"] = func(G.graph[f"sequence_{c}"])
+        """
+        feat = func(G.graph[f"sequence_{c}"])
+
+        if out_type == "series":
+            feat = pd.Series(feat)
+        elif out_type == "np":
+            raise NotImplementedError
+
+        G.graph[f"{feature_name}_{c}"] = feat
+        """
+    return G
+
+
+def aggregate_feature_over_chains(
+    G: nx.Graph, feature_name: str, aggregation_type: str
+) -> nx.Graph:
+    """
+    Performs aggregation of a given feature over chains in a graph to produce an aggregated value.
+
+    :param G: nx.Graph protein structure graph.
+    :type G: nx.Graph
+    :param feature_name: Name of feature to aggregate.
+    :type feature_name: str
+    :param aggregation_type: Type of aggregation to perform (``"min"``, ``"max"``, ``"mean"``, ``"sum"``).
+    :type aggregation_type: str
+    :raises ValueError: If ``aggregation_type`` is not one of ``"min"``, ``"max"``, ``"mean"``, ``"sum"``.
+    :return: Graph with new aggregated feature.
+    :rtype: nx.Graph
+    """
+
+    if aggregation_type == "max":
+        func = np.max
+    elif aggregation_type == "min":
+        func = np.min
+    elif aggregation_type == "mean":
+        func = np.mean
+    elif aggregation_type == "sum":
+        func = np.sum
+    else:
+        raise ValueError(
+            f"Unsupported aggregator: {aggregation_type}. Please use min, max, mean, sum"
+        )
+
+    G.graph[f"{feature_name}_{aggregation_type}"] = func(
+        [G.graph[f"{feature_name}_{c}"] for c in G.graph["chain_ids"]]
+    )
+    return G
+
+
+def sequence_to_ngram(sequence: str, N: int) -> List[str]:
+    """
+    Chops a sequence into overlapping N-grams (substrings of length ``N``).
+
+    :param sequence: str Sequence to convert to N-grams.
+    :type sequence: str
+    :param N: Length of N-grams.
+    :type N: int
+    :return: List of n-grams.
+    :rtype: List[str]
+    """
+    return [sequence[i : i + N] for i in range(len(sequence) - N + 1)]
+
+
+def subset_by_node_feature_value(
+    G: nx.Graph, feature_name: str, feature_value: Any
+) -> nx.Graph:
+    """
+    Extracts a subgraph from a protein structure graph based on nodes with a certain feature value.
+
+    :param G: nx.Graph protein structure graph to extract a subgraph from.
+    :type G: nx.Graph
+    :param feature_name: Name of feature to base subgraph extraction from.
+    :type feature_name: str
+    :param feature_value: Value of feature to select.
+    :type feature_value: Any
+    :return: Subgraph of ``G`` based on nodes with a given feature value.
+    :rtype: nx.Graph
+    """
+    node_list = [
+        n for n, d in G.nodes(data=True) if d[feature_name] == feature_value
+    ]
+
+    return G.subgraph(node_list)
diff --git a/graphein/protein_ligand/features/utils.py b/graphein/protein_ligand/features/utils.py
new file mode 100644
index 000000000..5020a7a86
--- /dev/null
+++ b/graphein/protein_ligand/features/utils.py
@@ -0,0 +1,63 @@
+"""Utility functions to work with graph-level features."""
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+import networkx as nx
+import numpy as np
+import pandas as pd
+
+
+def convert_graph_dict_feat_to_series(
+    G: nx.Graph, feature_name: str
+) -> nx.Graph:
+    """
+    Takes in a graph and a graph-level ``feature_name``. Converts this feature to a ``pd.Series``.
+    This is useful as some features are output as dictionaries and we wish to standardise this.
+
+    :param G:  nx.Graph containing ``G.graph[f"{feature_name}"]`` (``Dict[Any, Any]``).
+    :type G: nx.Graph
+    :param feature_name: Name of feature to convert to dictionary.
+    :type feature_name: str
+    :return: nx.Graph containing ``G.graph[f"{feature_name}"]: pd.Series``.
+    :rtype: nx.Graph
+    """
+    G.graph[feature_name] = pd.Series(G.graph[feature_name])
+    return G
+
+
+def aggregate_graph_feature_over_chains(
+    G: nx.Graph, feature_name: str, aggregation_type: str
+) -> nx.Graph:
+    """
+    Performs aggregation of a feature over the chains. E.g. sums/averages/min/max molecular weights for each chain.
+
+    :param G: nx.Graph of protein containing chain-specific features.
+    :type G: nx.Graph
+    :param feature_name: Name of features to aggregate.
+    :type feature_name: str
+    :param aggregation_type: Type of aggregation to perform (``"min"`, ``"max"``, ``"sum"``, ``"mean"``).
+    :type aggregation_type: str
+    :raises NameError: If ``aggregation_type`` is not one of ``"min"`, ``"max"``, ``"sum"``, ``"mean"``.
+    :return: nx.Graph of protein with a new aggregated feature ``G.graph[f"{feature_name}_{aggregation_type}"]``.
+    :rtype: nx.Graph
+    """
+    if aggregation_type == "mean":
+        func = np.mean
+    elif aggregation_type == "max":
+        func = np.max
+    elif aggregation_type == "sum":
+        func = np.sum
+    elif aggregation_type == "min":
+        func = np.min
+    else:
+        raise NameError(
+            "Unsupported aggregation type. Please use mean, max, sum or min."
+        )
+
+    G.graph[f"{feature_name}_{aggregation_type}"] = func(
+        [G.graph[f"{feature_name}_{c}"] for c in G.graph["chain_ids"]]
+    )
+
+    return G
diff --git a/graphein/protein_ligand/graphs.py b/graphein/protein_ligand/graphs.py
new file mode 100644
index 000000000..4b820854a
--- /dev/null
+++ b/graphein/protein_ligand/graphs.py
@@ -0,0 +1,1023 @@
+"""Functions for working with Protein-ligand Structure Graphs."""
+# %%
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>, Eric Ma, Charlie Harris
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+import logging
+import multiprocessing
+import traceback
+from functools import partial
+import requests
+from io import StringIO
+from typing import Any, Callable, Dict, List, Optional, Tuple, Union
+
+import networkx as nx
+import numpy as np
+import pandas as pd
+from Bio.PDB.Polypeptide import three_to_one
+from biopandas.pdb import PandasPdb
+
+import rdkit
+import rdkit.Chem as Chem
+import rdkit.Chem.AllChem as AllChem
+
+from graphein.protein_ligand.config import (
+    ProteinLigandGraphConfig,
+)
+from graphein.protein_ligand.edges.distance import compute_distmat
+from graphein.protein_ligand.utils import (
+    ProteinLigandGraphConfigurationError,
+    compute_rgroup_dataframe,
+    filter_dataframe,
+    get_protein_name_from_filename,
+    three_to_one_with_mods,
+)
+from graphein.utils.utils import (
+    annotate_edge_metadata,
+    annotate_graph_metadata,
+    annotate_node_metadata,
+    compute_edges,
+)
+from prody import parsePDB, writePDBStream
+
+logging.basicConfig(level="DEBUG")
+log = logging.getLogger(__name__)
+
+
+def read_pdb_to_dataframe(
+    pdb_path: Optional[str] = None,
+    pdb_code: Optional[str] = None,
+    verbose: bool = False,
+    granularity: str = "CA",
+) -> pd.DataFrame:
+    """
+    Reads PDB file to ``PandasPDB`` object.
+
+    Returns ``atomic_df``, which is a dataframe enumerating all atoms and their cartesian coordinates in 3D space. Also
+    contains associated metadata from the PDB file.
+
+    :param pdb_path: path to PDB file. Defaults to None.
+    :type pdb_path: str, optional
+    :param pdb_code: 4-character PDB accession. Defaults to None.
+    :type pdb_code: str, optional
+    :param verbose: print dataframe?
+    :type verbose: bool
+    :param granularity: Specifies granularity of dataframe. See :class:`~graphein.protein.config.ProteinLigandGraphConfig` for further
+        details.
+    :type granularity: str
+    :returns: ``pd.DataFrame`` containing protein structure
+    :rtype: pd.DataFrame
+    """
+    if pdb_code is None and pdb_path is None:
+        raise NameError("One of pdb_code or pdb_path must be specified!")
+
+    atomic_df = (
+        PandasPdb().read_pdb(pdb_path)
+        if pdb_path is not None
+        else PandasPdb().fetch_pdb(pdb_code)
+    )
+
+    # Assign Node IDs to dataframes
+    atomic_df.df["ATOM"]["node_id"] = (
+        "protein:"
+        + atomic_df.df["ATOM"]["chain_id"].apply(str)
+        + ":"
+        + atomic_df.df["ATOM"]["residue_name"]
+        + ":"
+        + atomic_df.df["ATOM"]["residue_number"].apply(str)
+        + ":"
+        + atomic_df.df["ATOM"]["atom_number"].apply(str)
+    )
+    atomic_df.df["HETATM"]["node_id"] = (
+        "ligand:"
+        + atomic_df.df["HETATM"]["residue_name"]
+        + ":"
+        + atomic_df.df["HETATM"]["element_symbol"]
+        + ":"
+        + atomic_df.df["HETATM"]["residue_number"].apply(str)
+        + ":"
+        + atomic_df.df["ATOM"]["atom_number"].apply(str)
+    )
+    if granularity == "atom":
+        atomic_df.df["ATOM"]["node_id"] = (
+            atomic_df.df["ATOM"]["node_id"]
+            + ":"
+            + atomic_df.df["ATOM"]["atom_name"]
+        )
+    if verbose:
+        print(atomic_df)
+    return atomic_df
+
+
+def deprotonate_structure(df: pd.DataFrame) -> pd.DataFrame:
+    """Remove protons from PDB dataframe.
+
+    :param df: Atomic dataframe.
+    :type df: pd.DataFrame
+    :returns: Atomic dataframe with all ``atom_name == "H"`` removed.
+    :rtype: pd.DataFrame
+    """
+    log.debug(
+        "Deprotonating protein. This removes H atoms from the pdb_df dataframe"
+    )
+    return filter_dataframe(
+        df, by_column="atom_name", list_of_values=["H"], boolean=False
+    )
+
+
+def convert_structure_to_centroids(df: pd.DataFrame) -> pd.DataFrame:
+    """Overwrite existing ``(x, y, z)`` coordinates with centroids of the amino acids.
+
+    :param df: Pandas Dataframe protein structure to convert into a dataframe of centroid positions.
+    :type df: pd.DataFrame
+    :return: pd.DataFrame with atoms/residues positions converted into centroid positions.
+    :rtype: pd.DataFrame
+    """
+    log.debug(
+        "Converting dataframe to centroids. This averages XYZ coords of the atoms in a residue"
+    )
+
+    centroids = calculate_centroid_positions(df)
+    df = df.loc[df["atom_name"] == "CA"].reset_index(drop=True)
+    df["x_coord"] = centroids["x_coord"]
+    df["y_coord"] = centroids["y_coord"]
+    df["z_coord"] = centroids["z_coord"]
+
+    return df
+
+
+def subset_structure_to_atom_type(
+    df: pd.DataFrame, granularity: str
+) -> pd.DataFrame:
+    """
+    Return a subset of atomic dataframe that contains only certain atom names.
+
+    :param df: Protein Structure dataframe to subset.
+    :type df: pd.DataFrame
+    :returns: Subsetted protein structure dataframe.
+    :rtype: pd.DataFrame
+    """
+    return filter_dataframe(
+        df, by_column="atom_name", list_of_values=[granularity], boolean=True
+    )
+
+
+def remove_insertions(df: pd.DataFrame, keep: str = "first") -> pd.DataFrame:
+    """
+    This function removes insertions from PDB dataframes.
+
+    :param df: Protein Structure dataframe to remove insertions from.
+    :type df: pd.DataFrame
+    :param keep: Specifies which insertion to keep. Options are ``"first"`` or ``"last"``.
+        Default is ``"first"``
+    :type keep: str
+    :return: Protein structure dataframe with insertions removed
+    :rtype: pd.DataFrame
+    """
+    # Catches unnamed insertions
+    duplicates = df.duplicated(
+        subset=["chain_id", "residue_number", "atom_name"], keep=keep
+    )
+    df = df[~duplicates]
+
+    # Catches explicit insertions
+    df = filter_dataframe(
+        df, by_column="insertion", list_of_values=[""], boolean=True
+    )
+
+    # Remove alt_locs
+    df = filter_dataframe(
+        df, by_column="alt_loc", list_of_values=["", "A"], boolean=True
+    )
+
+    return df
+
+def process_dataframe(
+    protein_df: pd.DataFrame,
+    atom_df_processing_funcs: Optional[List[Callable]] = None,
+    granularity: str = "centroids",
+    chain_selection: str = "all",
+    insertions: bool = False,
+    deprotonate: bool = True,
+    keep_hets: List[str] = [],
+    verbose: bool = False,
+) -> pd.DataFrame:
+    """
+    Process ATOM and HETATM dataframes to produce singular dataframe used for graph construction.
+
+    :param protein_df: Dataframe to process.
+        Should be the object returned from :func:`~graphein.protein.graphs.read_pdb_to_dataframe`.
+    :type protein_df: pd.DataFrame
+    :param atom_df_processing_funcs: List of functions to process dataframe. These must take in a dataframe and return a
+        dataframe. Defaults to None.
+    :type atom_df_processing_funcs: List[Callable], optional
+    :param granularity: The level of granularity for the graph. This determines the node definition.
+        Acceptable values include: ``"centroids"``, ``"atoms"``,
+        any of the atom_names in the PDB file (e.g. ``"CA"``, ``"CB"``, ``"OG"``, etc.).
+        See: :const:`~graphein.protein.config.GRAPH_ATOMS` and :const:`~graphein.protein.config.GRANULARITY_OPTS`.
+    :type granularity: str
+    :param insertions: Whether or not to keep insertions.
+    :param insertions: bool
+    :param deprotonate: Whether or not to remove hydrogen atoms (i.e. deprotonation).
+    :type deprotonate: bool
+    :param keep_hets: Hetatoms to keep. Defaults to an empty list.
+        To keep a hetatom, pass it inside a list of hetatom names to keep.
+    :type keep_hets: List[str]
+    :param verbose: Verbosity level.
+    :type verbose: bool
+    :param chain_selection: Which protein chain to select. Defaults to ``"all"``. Eg can use ``"ACF"``
+        to select 3 chains (``A``, ``C`` & ``F``)
+    :type chain_selection: str
+    :return: A protein dataframe that can be consumed by
+        other graph construction functions.
+    :rtype: pd.DataFrame
+    """
+    # TODO: Need to properly define what "granularity" is supposed to do.
+    atoms = protein_df.df["ATOM"]
+
+    # This block enables processing via a list of supplied functions operating on the atom and hetatom dataframes
+    # If these are provided, the dataframe returned will be computed only from these and the default workflow
+    # below this block will not execute.
+    if atom_df_processing_funcs is not None:
+        for func in atom_df_processing_funcs:
+            atoms = func(atoms)
+        if hetatom_df_processing_funcs is None:
+            return atoms
+
+    # Deprotonate structure by removing H atoms
+    if deprotonate:
+        atoms = deprotonate_structure(atoms)
+
+    # Restrict DF to desired granularity
+    if granularity == "atom":
+        pass
+    elif granularity == "centroids":
+        atoms = convert_structure_to_centroids(atoms)
+    else:
+        atoms = subset_structure_to_atom_type(atoms, granularity)
+
+    protein_df = atoms
+
+    # Remove alt_loc residues
+    if not insertions:
+        protein_df = remove_insertions(protein_df)
+
+    # perform chain selection
+    protein_df = select_chains(
+        protein_df, chain_selection=chain_selection, verbose=verbose
+    )
+
+    log.debug(f"Detected {len(protein_df)} total nodes")
+
+    return protein_df
+
+def select_chains(
+    protein_df: pd.DataFrame, chain_selection: str, verbose: bool = False
+) -> pd.DataFrame:
+    """
+    Extracts relevant chains from ``protein_df``.
+
+    :param protein_df: pandas dataframe of PDB subsetted to relevant atoms
+        (``CA``, ``CB``).
+    :type protein_df: pd.DataFrame
+    :param chain_selection: Specifies chains that should be extracted from
+        the larger complexed structure.
+    :type chain_selection: str
+    :param verbose: Print dataframe?
+    :type verbose: bool
+    :return: Protein structure dataframe containing only entries in the
+        chain selection.
+    :rtype: pd.DataFrame
+    """
+    if chain_selection != "all":
+        protein_df = filter_dataframe(
+            protein_df,
+            by_column="chain_id",
+            list_of_values=list(chain_selection),
+            boolean=True,
+        )
+
+    return protein_df
+
+
+def initialise_graph_with_metadata(
+    protein_df: pd.DataFrame,
+    ligands_df: List[pd.DataFrame],
+    raw_pdb_df: Dict[pd.DataFrame],
+    pdb_id: str,
+    granularity: str,
+) -> nx.Graph:
+    """
+    Initializes the nx Graph object with initial metadata.
+
+    :param protein_df: Processed Dataframe of protein structure.
+    :type protein_df: pd.DataFrame
+    :param ligands_df: Processed Dataframe of ligand structures.
+    :type ligands_df: List[pd.DataFrame]
+    :param raw_pdb_df: Unprocessed dataframe of protein structure for comparison and traceability downstream.
+    :type raw_pdb_df: pd.DataFrame
+    :param pdb_id: PDB Accession code.
+    :type pdb_id: str
+    :param granularity: Granularity of the graph (eg ``"atom"``, ``"CA"``, ``"CB"`` etc or ``"centroid"``).
+        See: :const:`~graphein.protein.config.GRAPH_ATOMS` and :const:`~graphein.protein.config.GRANULARITY_OPTS`.
+    :type granularity: str
+    :return: Returns initial protein structure graph with metadata.
+    :rtype: nx.Graph
+    """
+    G = nx.Graph(
+        name=pdb_id,
+        pdb_id=pdb_id,
+        chain_ids=list(protein_df["chain_id"].unique()),
+        protein_df=protein_df,
+        ligands_df=ligands_df,
+        raw_pdb_df=raw_pdb_df,
+        rgroup_df=compute_rgroup_dataframe(remove_insertions(raw_pdb_df.df["ATOM"])),
+        protein_coords=np.asarray(protein_df[["x_coord", "y_coord", "z_coord"]]),
+        ligands_coords=np.asarray([ligand_df[["x_coord", "y_coord", "z_coord"]] for ligand_df in ligands_df]),
+    )
+
+    # Create graph and assign intrinsic graph-level metadata
+    G.graph["node_type"] = granularity
+
+    # Add Sequences to graph metadata
+    for c in G.graph["chain_ids"]:
+        G.graph[f"sequence_{c}"] = (
+            protein_df.loc[protein_df["chain_id"] == c]["residue_name"]
+            .apply(three_to_one_with_mods)
+            .str.cat()
+        )
+    return G
+
+
+def add_nodes_to_graph(
+    G: nx.Graph,
+    protein_df: Optional[pd.DataFrame] = None,
+    ligands_df: List[pd.DataFrame] = None,
+    verbose: bool = False,
+) -> nx.Graph:
+    """Add nodes into protein graph.
+
+    :param G: ``nx.Graph`` with metadata to populate with nodes.
+    :type G: nx.Graph
+    :protein_df: DataFrame of protein structure containing nodes & initial node metadata to add to the graph.
+    :type protein_df: pd.DataFrame, optional
+    :ligands_df: DataFrame of ligand structures containing nodes & initial node metadata to add to the graph.
+    :type ligands_df: List[pd.DataFrame], optional
+    :param verbose: Controls verbosity of this step.
+    :type verbose: bool
+    :returns: nx.Graph with nodes added.
+    :rtype: nx.Graph
+    """
+
+    # If no protein dataframe is supplied, use the one stored in the Graph object
+    if protein_df is None:
+        protein_df = G.graph["protein_df"]
+        ligands_df = G.graph["ligands_df"]
+    # Assign intrinsic node attributes
+    chain_id = protein_df["chain_id"].apply(str)
+    residue_name = protein_df["residue_name"]
+    residue_number = protein_df["residue_number"]  # .apply(str)
+    coords = np.asarray(protein_df[["x_coord", "y_coord", "z_coord"]])
+    b_factor = protein_df["b_factor"]
+    atom_type = protein_df["atom_name"]
+    nodes = protein_df["node_id"]
+    element_symbol = protein_df["element_symbol"]
+    G.add_nodes_from(nodes)
+
+    # Set intrinsic node attributes
+    nx.set_node_attributes(G, dict(zip(nodes, chain_id)), "chain_id")
+    nx.set_node_attributes(G, dict(zip(nodes, residue_name)), "residue_name")
+    nx.set_node_attributes(
+        G, dict(zip(nodes, residue_number)), "residue_number"
+    )
+    nx.set_node_attributes(G, dict(zip(nodes, atom_type)), "atom_type")
+    nx.set_node_attributes(
+        G, dict(zip(nodes, element_symbol)), "element_symbol"
+    )
+    nx.set_node_attributes(G, dict(zip(nodes, coords)), "coords")
+    nx.set_node_attributes(G, dict(zip(nodes, b_factor)), "b_factor")
+    
+    for i, ligand in enumerate(ligands_df):
+        G.add_nodes_from(ligand["node_id"])
+        nx.set_node_attributes(G, dict(zip(ligand["node_id"], np.asarray(ligand[["x_coord", "y_coord", "z_coord"]]))), "coords")
+        nx.set_node_attributes(G, dict(zip(ligand["node_id"], ligand["element_symbol"])), "element_symbol")
+
+    # TODO: include charge, line_idx for traceability?
+    if verbose:
+        print(nx.info(G))
+        print(G.nodes())
+
+    return G
+
+
+def calculate_centroid_positions(
+    atoms: pd.DataFrame, verbose: bool = False
+) -> pd.DataFrame:
+    """
+    Calculates position of sidechain centroids.
+
+    :param atoms: ATOM df of protein structure.
+    :type atoms: pd.DataFrame
+    :param verbose: bool controlling verbosity.
+    :type verbose: bool
+    :return: centroids (df).
+    :rtype: pd.DataFrame
+    """
+    centroids = (
+        atoms.groupby("residue_number")
+        .mean()[["x_coord", "y_coord", "z_coord"]]
+        .reset_index()
+    )
+    if verbose:
+        print(f"Calculated {len(centroids)} centroid nodes")
+    log.debug(f"Calculated {len(centroids)} centroid nodes")
+    return centroids
+
+
+def compute_edges(
+    G: nx.Graph,
+    protein_funcs: List[Callable],
+    ligand_funcs: List[Callable],
+    protein_ligand_funcs: List[Callable],
+    get_contacts_config: Optional[GetContactsConfig] = None,
+) -> nx.Graph:
+    """
+    Computes edges for the protein structure graph. Will compute a pairwise
+    distance matrix between nodes which is
+    added to the graph metadata to facilitate some edge computations.
+
+    :param G: nx.Graph with nodes to add edges to.
+    :type G: nx.Graph
+    :param funcs: List of edge construction functions.
+    :type funcs: List[Callable]
+    :param get_contacts_config: Config object for ``GetContacts`` if
+        intramolecular edges are being used.
+    :type get_contacts_config: graphein.protein.config.GetContactsConfig
+    :return: Graph with added edges.
+    :rtype: nx.Graph
+    """
+
+    for func in protein_funcs:
+        func(G)
+    print (G)
+    
+    for func in ligand_funcs:
+        func(G)
+    print (G)
+
+    for func in protein_ligand_funcs:
+        func(G)
+    print (G)
+
+    return G
+
+
+def construct_graph(
+    config: Optional[ProteinLigandGraphConfig] = None,
+    pdb_path: Optional[str] = None,
+    pdb_code: Optional[str] = None,
+    chain_selection: str = "all",
+    df_processing_funcs: Optional[List[Callable]] = None,
+    protein_edge_construction_funcs: Optional[List[Callable]] = None,
+    protein_edge_annotation_funcs: Optional[List[Callable]] = None,
+    protein_node_annotation_funcs: Optional[List[Callable]] = None,
+    ligand_edge_construction_funcs: Optional[List[Callable]] = None,
+    ligand_edge_annotation_funcs: Optional[List[Callable]] = None,
+    ligand_node_annotation_funcs: Optional[List[Callable]] = None,
+    protein_ligand_edge_construction_funcs: Optional[List[Callable]] = None,
+    protein_ligand_edge_annotation_funcs: Optional[List[Callable]] = None,
+    graph_annotation_funcs: Optional[List[Callable]] = None,
+) -> nx.Graph:
+    """
+    Constructs protein structure graph from a ``pdb_code`` or ``pdb_path``.
+
+    Users can provide a :class:`~graphein.protein.config.ProteinLigandGraphConfig`
+    object to specify construction parameters.
+
+    However, config parameters can be overridden by passing arguments directly to the function.
+
+    :param config: :class:`~graphein.protein.config.ProteinLigandGraphConfig` object. If None, defaults to config in ``graphein.protein.config``.
+    :type config: graphein.protein.config.ProteinLigandGraphConfig, optional
+    :param pdb_path: Path to ``pdb_file`` to build graph from. Default is ``None``.
+    :type pdb_path: str, optional
+    :param pdb_code: 4-character PDB accession pdb_code to build graph from. Default is ``None``.
+    :type pdb_code: str, optional
+    :param chain_selection: String of polypeptide chains to include in graph. E.g ``"ABDF"`` or ``"all"``. Default is ``"all"``.
+    :type chain_selection: str
+    :param df_processing_funcs: List of dataframe processing functions. Default is ``None``.
+    :type df_processing_funcs: List[Callable], optional
+    :param edge_construction_funcs: List of edge construction functions. Default is ``None``.
+    :type edge_construction_funcs: List[Callable], optional
+    :param edge_annotation_funcs: List of edge annotation functions. Default is ``None``.
+    :type edge_annotation_funcs: List[Callable], optional
+    :param node_annotation_funcs: List of node annotation functions. Default is ``None``.
+    :type node_annotation_funcs: List[Callable], optional
+    :param graph_annotation_funcs: List of graph annotation function. Default is ``None``.
+    :type graph_annotation_funcs: List[Callable]
+    :return: Protein Structure Graph
+    :type: nx.Graph
+    """
+
+    # If no config is provided, use default
+    if config is None:
+        config = ProteinLigandGraphConfig()
+
+    # Get name from pdb_file is no pdb_code is provided
+    if pdb_path and (pdb_code is None):
+        pdb_code = get_protein_name_from_filename(pdb_path)
+
+    # If config params are provided, overwrite them
+    config.protein_df_processing_functions = (
+        df_processing_funcs
+        if config.protein_df_processing_functions is None
+        else config.protein_df_processing_functions
+    )
+    config.protein_edge_construction_functions = (
+        protein_edge_construction_funcs
+        if config.protein_edge_construction_functions is None
+        else config.protein_edge_construction_functions
+    )
+    config.protein_node_metadata_functions = (
+        protein_node_annotation_funcs
+        if config.protein_node_metadata_functions is None
+        else config.protein_node_metadata_functions
+    )
+    config.graph_metadata_functions = (
+        graph_annotation_funcs
+        if config.graph_metadata_functions is None
+        else config.graph_metadata_functions
+    )
+    config.protein_edge_metadata_functions = (
+        protein_edge_annotation_funcs
+        if config.protein_edge_metadata_functions is None
+        else config.protein_edge_metadata_functions
+    )
+    config.ligand_edge_construction_functions = (
+        ligand_edge_construction_funcs
+        if config.ligand_edge_construction_functions is None
+        else config.ligand_edge_construction_functions
+    )
+    config.ligand_node_metadata_functions = (
+        ligand_node_annotation_funcs
+        if config.ligand_node_metadata_functions is None
+        else config.ligand_node_metadata_functions
+    )
+    config.ligand_edge_metadata_functions = (
+        ligand_edge_annotation_funcs
+        if config.ligand_edge_metadata_functions is None
+        else config.ligand_edge_metadata_functions
+    )
+    config.protein_ligand_edge_construction_functions = (
+        protein_ligand_edge_construction_funcs
+        if config.protein_ligand_edge_construction_functions is None
+        else config.protein_ligand_edge_construction_functions
+    )
+    config.protein_ligand_edge_metadata_functions = (
+        protein_ligand_edge_annotation_funcs
+        if config.protein_ligand_edge_metadata_functions is None
+        else config.protein_ligand_edge_metadata_functions
+    )
+
+    # Read raw df from pdb
+    raw_df = read_pdb_to_dataframe(
+        pdb_path,
+        pdb_code,
+        verbose=config.verbose,
+        granularity=config.granularity,
+    )
+
+    # Read ligand from pdb
+    df_dict = read_ligand_expo()
+    pdb = parsePDB(pdb_code)
+    ligand = pdb.select('not protein and not water')
+    res_name_list = list(set(ligand.getResnames()))
+    ligands = []
+    ligands_df = []
+    # TODO: filter out ions, co-factors, etc.
+    for res in res_name_list:
+        try:
+            new_mol = process_ligand(ligand, res, df_dict)
+            ligands.append(new_mol)
+            ligands_df.append(raw_df.df['HETATM'].loc[raw_df.df['HETATM']["residue_name"] == res])
+        except:
+            continue
+
+    protein_df = process_dataframe(
+        raw_df, chain_selection=chain_selection, granularity=config.granularity
+    )
+
+    # Initialise graph with metadata
+    g = initialise_graph_with_metadata(
+        protein_df=protein_df,
+        ligands_df=ligands_df,
+        raw_pdb_df=raw_df,
+        pdb_id=pdb_code,
+        granularity=config.granularity,
+    )
+    
+    # Add nodes to graph
+    g = add_nodes_to_graph(g)
+
+    # Add config to graph
+    g.graph["config"] = config
+
+    # Annotate additional node metadata
+    if config.protein_node_metadata_functions is not None:
+        g = annotate_node_metadata(g, config.protein_node_metadata_functions)
+    if config.ligand_node_metadata_functions is not None:
+        g = annotate_node_metadata(g, config.ligand_node_metadata_functions)
+
+    # Compute graph edges
+    g = compute_edges(
+        g,
+        protein_funcs=config.protein_edge_construction_functions,
+        ligand_funcs=config.ligand_edge_construction_functions,
+        protein_ligand_funcs=config.protein_ligand_edge_construction_functions,
+        get_contacts_config=None,
+    )
+
+    # Annotate additional graph metadata
+    if config.graph_metadata_functions is not None:
+        g = annotate_graph_metadata(g, config.graph_metadata_functions)
+
+    # Annotate additional edge metadata
+    if config.protein_edge_metadata_functions is not None:
+        g = annotate_edge_metadata(g, config.protein_edge_metadata_functions)
+    if config.ligand_edge_metadata_functions is not None:
+        g = annotate_edge_metadata(g, config.ligand_edge_metadata_functions)
+    if config.protein_ligand_edge_metadata_functions is not None:
+        g = annotate_edge_metadata(g, config.protein_ligand_edge_metadata_functions)
+
+    return g
+
+
+def _mp_graph_constructor(
+    args: Tuple[str, str], use_pdb_code: bool, config: ProteinLigandGraphConfig
+) -> nx.Graph:
+    """
+    Protein graph constructor for use in multiprocessing several protein structure graphs.
+
+    :param args: Tuple of pdb code/path and the chain selection for that PDB
+    :type args: Tuple[str, str]
+    :param use_pdb_code: Whether or not we are using pdb codes or paths
+    :type use_pdb_code: bool
+    :param config: Protein structure graph construction config
+    :type config: ProteinLigandGraphConfig
+    :return: Protein structure graph
+    :rtype: nx.Graph
+    """
+    log.info(f"Constructing graph for: {args[0]}. Chain selection: {args[1]}")
+    func = partial(construct_graph, config=config)
+    try:
+        return (
+            func(pdb_code=args[0], chain_selection=args[1])
+            if use_pdb_code
+            else func(pdb_path=args[0], chain_selection=args[1])
+        )
+
+    except Exception as ex:
+        log.info(
+            f"Graph construction error (PDB={args[0]})! {traceback.format_exc()}"
+        )
+        log.info(ex)
+        return None
+
+
+def construct_graphs_mp(
+    pdb_code_it: Optional[List[str]] = None,
+    pdb_path_it: Optional[List[str]] = None,
+    chain_selections: Optional[list[str]] = None,
+    config: ProteinLigandGraphConfig = ProteinLigandGraphConfig(),
+    num_cores: int = 16,
+    return_dict: bool = True,
+) -> Union[List[nx.Graph], Dict[str, nx.Graph]]:
+    """
+    Constructs protein graphs for a list of pdb codes or pdb paths using multiprocessing.
+
+    :param pdb_code_it: List of pdb codes to use for protein graph construction
+    :type pdb_code_it: Optional[List[str]], defaults to None
+    :param pdb_path_it: List of paths to PDB files to use for protein graph construction
+    :type pdb_path_it: Optional[List[str]], defaults to None
+    :param chain_selections: List of chains to select from the protein structures (e.g. ["ABC", "A", "L", "CD"...])
+    :type chain_selections: Optional[List[str]], defaults to None
+    :param config: ProteinLigandGraphConfig to use.
+    :type config: graphein.protein.config.ProteinLigandGraphConfig, defaults to default config params
+    :param num_cores: Number of cores to use for multiprocessing. The more the merrier
+    :type num_cores: int, defaults to 16
+    :param return_dict: Whether or not to return a dictionary (indexed by pdb codes/paths) or a list of graphs.
+    :type return_dict: bool, default to True
+    :return: Iterable of protein graphs. None values indicate there was a problem in constructing the graph for this particular pdb
+    :rtype: Union[List[nx.Graph], Dict[str, nx.Graph]]
+    """
+    assert (
+        pdb_code_it is not None or pdb_path_it is not None
+    ), "Iterable of pdb codes OR pdb paths required."
+
+    if pdb_code_it is not None:
+        pdbs = pdb_code_it
+        use_pdb_code = True
+
+    if pdb_path_it is not None:
+        pdbs = pdb_path_it
+        use_pdb_code = False
+
+    if chain_selections is None:
+        chain_selections = ["all"] * len(pdbs)
+
+    constructor = partial(
+        _mp_graph_constructor, use_pdb_code=use_pdb_code, config=config
+    )
+
+    pool = multiprocessing.Pool(num_cores)
+    graphs = list(
+        pool.map(
+            constructor,
+            [(pdb, chain_selections[i]) for i, pdb in enumerate(pdbs)],
+        )
+    )
+    pool.close()
+    pool.join()
+
+    if return_dict:
+        graphs = {pdb: graphs[i] for i, pdb in enumerate(pdbs)}
+
+    return graphs
+
+
+def compute_chain_graph(
+    g: nx.Graph,
+    chain_list: Optional[List[str]] = None,
+    remove_self_loops: bool = False,
+    return_weighted_graph: bool = False,
+) -> Union[nx.Graph, nx.MultiGraph]:
+    """Computes a chain-level graph from a protein structure graph.
+
+    This graph features nodes as individual chains in a complex and edges as
+    the interactions between constituent nodes in each chain. You have the
+    option of returning an unweighted graph (multigraph,
+    ``return_weighted_graph=False``) or a weighted graph
+    (``return_weighted_graph=True``). The difference between these is the
+    unweighted graph features and edge for each interaction between chains
+    (ie the number of edges will be equal to the number of edges in the input
+    protein structure graph), while the weighted graph sums these interactions
+    to a single edge between chains with the counts stored as features.
+
+    :param g: A protein structure graph to compute the chain graph of.
+    :type g: nx.Graph
+    :param chain_list: A list of chains to extract from the input graph.
+        If ``None``, all chains will be used. This is provided as input to
+        ``extract_subgraph_from_chains``. Default is ``None``.
+    :type chain_list: Optional[List[str]]
+    :param remove_self_loops: Whether to remove self-loops from the graph.
+        Default is False.
+    :type remove_self_loops: bool
+    :return: A chain-level graph.
+    :rtype: Union[nx.Graph, nx.MultiGraph]
+    """
+    # If we are extracting specific chains, do it here.
+    if chain_list is not None:
+        g = extract_subgraph_from_chains(g, chain_list)
+
+    # Initialise new graph with Metadata
+    h = nx.MultiGraph()
+    h.graph = g.graph
+    h.graph["node_type"] = "chain"
+
+    # Set nodes
+    nodes_per_chain = {chain: 0 for chain in g.graph["chain_ids"]}
+    sequences = {chain: "" for chain in g.graph["chain_ids"]}
+    for n, d in g.nodes(data=True):
+        nodes_per_chain[d["chain_id"]] += 1
+        sequences[d["chain_id"]] += RESI_THREE_TO_1[d["residue_name"]]
+
+    h.add_nodes_from(g.graph["chain_ids"])
+
+    for n, d in h.nodes(data=True):
+        d["num_residues"] = nodes_per_chain[n]
+        d["sequence"] = sequences[n]
+
+    # Add edges
+    for u, v, d in g.edges(data=True):
+        h.add_edge(
+            g.nodes[u]["chain_id"], g.nodes[v]["chain_id"], kind=d["kind"]
+        )
+    # Remove self-loops if necessary. Checks for equality between nodes in a given edge.
+    if remove_self_loops:
+        edges_to_remove: List[Tuple[str]] = [
+            (u, v) for u, v in h.edges() if u == v
+        ]
+        h.remove_edges_from(edges_to_remove)
+
+    # Compute a weighted graph if required.
+    if return_weighted_graph:
+        return compute_weighted_graph_from_multigraph(h)
+    return h
+
+
+def compute_weighted_graph_from_multigraph(g: nx.MultiGraph) -> nx.Graph:
+    """Computes a weighted graph from a multigraph.
+
+    This function is used to convert a multigraph to a weighted graph. The
+    weights of the edges are the number of interactions between the nodes.
+
+    :param g: A multigraph.
+    :type g: nx.MultiGraph
+    :return: A weighted graph.
+    :rtype: nx.Graph
+    """
+    H = nx.Graph()
+    H.graph = g.graph
+    H.add_nodes_from(g.nodes(data=True))
+    for u, v, d in g.edges(data=True):
+        if H.has_edge(u, v):
+            H[u][v]["weight"] += len(d["kind"])
+            H[u][v]["kind"].update(d["kind"])
+            for kind in list(d["kind"]):
+                try:
+                    H[u][v][kind] += 1
+                except KeyError:
+                    H[u][v][kind] = 1
+        else:
+            H.add_edge(u, v, weight=len(d["kind"]), kind=d["kind"])
+            for kind in list(d["kind"]):
+                H[u][v][kind] = 1
+    return H
+
+
+def number_groups_of_runs(list_of_values: List[Any]) -> List[str]:
+    """Numbers groups of runs in a list of values.
+
+    E.g. ``["A", "A", "B", "A", "A", "A", "B", "B"] ->
+    ["A1", "A1", "B1", "A2", "A2", "A2", "B2", "B2"]``
+
+    :param list_of_values: List of values to number.
+    :type list_of_values: List[Any]
+    :return: List of numbered values.
+    :rtype: List[str]
+    """
+    df = pd.DataFrame({"val": list_of_values})
+    df["idx"] = df["val"].shift() != df["val"]
+    df["sum"] = df.groupby("val")["idx"].cumsum()
+    return list(df["val"].astype(str) + df["sum"].astype(str))
+
+
+def compute_secondary_structure_graph(
+    g: nx.Graph,
+    allowable_ss_elements: Optional[List[str]] = None,
+    remove_non_ss: bool = True,
+    remove_self_loops: bool = False,
+    return_weighted_graph: bool = False,
+) -> Union[nx.Graph, nx.MultiGraph]:
+    """Computes a secondary structure graph from a protein structure graph.
+
+    :param g: A protein structure graph to compute the secondary structure
+        graph of.
+    :type g: nx.Graph
+    :param remove_non_ss: Whether to remove non-secondary structure nodes from
+        the graph. These are denoted as ``"-"`` by DSSP. Default is True.
+    :type remove_non_ss: bool
+    :param remove_self_loops: Whether to remove self-loops from the graph.
+        Default is ``False``.
+    :type remove_self_loops: bool
+    :param return_weighted_graph: Whether to return a weighted graph.
+        Default is False.
+    :type return_weighted_graph: bool
+    :raises ProteinLigandGraphConfigurationError: If the protein structure graph is
+        not configured correctly with secondary structure assignments on all
+        nodes.
+    :return: A secondary structure graph.
+    :rtype: Union[nx.Graph, nx.MultiGraph]
+    """
+    # Initialise list of secondary structure elements we use to build the graph
+    ss_list: List[str] = []
+
+    # Check nodes have secondary structure assignment & store them in list
+    for _, d in g.nodes(data=True):
+        if "ss" not in d.keys():
+            raise ProteinLigandGraphConfigurationError(
+                "Secondary structure not defined for all nodes."
+            )
+        ss_list.append(d["ss"])
+
+    # Number SS elements
+    ss_list = pd.Series(number_groups_of_runs(ss_list))
+    ss_list.index = list(g.nodes())
+
+    # Remove unstructured elements if necessary
+    if remove_non_ss:
+        ss_list = ss_list[~ss_list.str.contains("-")]
+    # Subset to only allowable SS elements if necessary
+    if allowable_ss_elements:
+        ss_list = ss_list[
+            ss_list.str.contains("|".join(allowable_ss_elements))
+        ]
+
+    constituent_residues: Dict[str, List[str]] = ss_list.index.groupby(
+        ss_list.values
+    )
+    constituent_residues = {
+        k: list(v) for k, v in constituent_residues.items()
+    }
+    residue_counts: Dict[str, int] = ss_list.groupby(ss_list).count().to_dict()
+
+    # Add Nodes from secondary structure list
+    h = nx.MultiGraph()
+    h.add_nodes_from(ss_list)
+    nx.set_node_attributes(h, residue_counts, "residue_counts")
+    nx.set_node_attributes(h, constituent_residues, "constituent_residues")
+    # Assign ss
+    for n, d in h.nodes(data=True):
+        d["ss"] = n[0]
+
+    # Add graph-level metadata
+    h.graph = g.graph
+    h.graph["node_type"] = "secondary_structure"
+
+    # Iterate over edges in source graph and add SS-SS edges to new graph.
+    for u, v, d in g.edges(data=True):
+        try:
+            h.add_edge(
+                ss_list[u], ss_list[v], kind=d["kind"], source=f"{u}_{v}"
+            )
+        except KeyError as e:
+            log.debug(
+                f"Edge {u}-{v} not added to secondary structure graph. \
+                Reason: {e} not in graph"
+            )
+
+    # Remove self-loops if necessary.
+    # Checks for equality between nodes in a given edge.
+    if remove_self_loops:
+        edges_to_remove: List[Tuple[str]] = [
+            (u, v) for u, v in h.edges() if u == v
+        ]
+        h.remove_edges_from(edges_to_remove)
+
+    # Create weighted graph from h
+    if return_weighted_graph:
+        return compute_weighted_graph_from_multigraph(h)
+    return h
+
+def process_ligand(ligand, res_name, expo_dict):
+    """
+    Add bond orders to a pdb ligand
+    1. Select the ligand component with name "res_name"
+    2. Get the corresponding SMILES from the Ligand Expo dictionary
+    3. Create a template molecule from the SMILES in step 2
+    4. Write the PDB file to a stream
+    5. Read the stream into an RDKit molecule
+    6. Assign the bond orders from the template from step 3
+    :param ligand: ligand as generated by prody
+    :param res_name: residue name of ligand to extract
+    :param expo_dict: dictionary with LigandExpo
+    :return: molecule with bond orders assigned
+    """
+    output = StringIO()
+    sub_mol = ligand.select(f"resname {res_name}")
+    sub_smiles = expo_dict['SMILES'][res_name]
+    template = AllChem.MolFromSmiles(sub_smiles)
+    writePDBStream(output, sub_mol)
+    pdb_string = output.getvalue()
+    rd_mol = AllChem.MolFromPDBBlock(pdb_string)
+    new_mol = AllChem.AssignBondOrdersFromTemplate(template, rd_mol)
+    return new_mol
+
+def write_sdf(new_mol, pdb_name, res_name):
+    """
+    Write an RDKit molecule to an SD file
+    :param new_mol:
+    :param pdb_name:
+    :param res_name:
+    :return:
+    """
+    outfile_name = f"{pdb_name}_{res_name}_ligand.sdf"
+    writer = Chem.SDWriter(f"{outfile_name}")
+    writer.write(new_mol)
+    print(f"wrote {outfile_name}")
+
+def read_ligand_expo():
+    """
+    Read Ligand Expo data, try to find a file called
+    Components-smiles-stereo-oe.smi in the current directory.
+    If you can't find the file, grab it from the RCSB
+    :return: Ligand Expo as a dictionary with ligand id as the key
+    """
+    file_name = "Components-smiles-stereo-oe.smi"
+    try:
+        df = pd.read_csv(file_name, sep="\t",
+                         header=None,
+                         names=["SMILES", "ID", "Name"])
+    except FileNotFoundError:
+        url = f"http://ligand-expo.rcsb.org/dictionaries/{file_name}"
+        print(url)
+        r = requests.get(url, allow_redirects=True)
+        open('Components-smiles-stereo-oe.smi', 'wb').write(r.content)
+        df = pd.read_csv(file_name, sep="\t",
+                         header=None,
+                         names=["SMILES", "ID", "Name"])
+    df.set_index("ID", inplace=True)
+    return df.to_dict()
\ No newline at end of file
diff --git a/graphein/protein_ligand/utils.py b/graphein/protein_ligand/utils.py
new file mode 100644
index 000000000..312f2f04f
--- /dev/null
+++ b/graphein/protein_ligand/utils.py
@@ -0,0 +1,315 @@
+"""Provides utility functions for use across Graphein."""
+import logging
+
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+import os
+from functools import lru_cache
+from pathlib import Path
+from shutil import which
+from typing import Any, Dict, List, Tuple, Union
+from urllib.request import urlopen
+
+import networkx as nx
+import numpy as np
+import pandas as pd
+import wget
+from Bio.PDB import PDBList
+from biopandas.pdb import PandasPdb
+
+from graphein.protein.resi_atoms import BACKBONE_ATOMS, RESI_THREE_TO_1
+
+log = logging.getLogger(__name__)
+
+
+class ProteinLigandGraphConfigurationError(Exception):
+    """Exception when an invalid Graph configuration if provided to a downstream function or method."""
+
+    def __init__(self, message: str):
+        self.message = message
+
+    def __str__(self):
+        return self.message
+
+
+@lru_cache()
+def get_obsolete_mapping() -> Dict[str, str]:
+    """Returns a dictionary mapping obsolete PDB codes to their replacement.
+
+    :return: Dictionary mapping obsolete PDB codes to their replacement.
+    :rtype: Dictionary[str, str]
+    """
+    obs_dict: Dict[str, str] = {}
+
+    response = urlopen("ftp://ftp.wwpdb.org/pub/pdb/data/status/obsolete.dat")
+    for line in response:
+        entry = line.split()
+        if len(entry) == 4:
+            obs_dict[entry[2].lower().decode("utf-8")] = (
+                entry[3].lower().decode("utf-8")
+            )
+    return obs_dict
+
+
+def download_pdb(config, pdb_code: str) -> Path:
+    """
+    Download PDB structure from PDB.
+
+    If no structure is found, we perform a lookup against the record of
+    obsolete PDB codes (ftp://ftp.wwpdb.org/pub/pdb/data/status/obsolete.dat)
+
+    :param pdb_code: 4 character PDB accession code.
+    :type pdb_code: str
+    :return: returns filepath to downloaded structure.
+    :rtype: str
+    """
+    pdb_code = pdb_code.lower()
+    if not config.pdb_dir:
+        config.pdb_dir = Path("/tmp/")
+
+    # Initialise class and download pdb file
+    pdbl = PDBList()
+    pdbl.retrieve_pdb_file(
+        pdb_code, pdir=config.pdb_dir, overwrite=True, file_format="pdb"
+    )
+    # If file not downloaded, check for obsolescence
+    if not os.path.exists(config.pdb_dir / f"pdb{pdb_code}.ent"):
+        obs_map = get_obsolete_mapping()
+        try:
+            new_pdb = obs_map[pdb_code.lower()].lower()
+            log.info(
+                f"PDB file {pdb_code} not found. It is likely obsolete. \
+                     Trying its replacement: {new_pdb} instead."
+            )
+            pdb_code = new_pdb
+            pdbl.retrieve_pdb_file(
+                pdb_code,
+                pdir=config.pdb_dir,
+                overwrite=True,
+                file_format="pdb",
+            )
+        except KeyError:
+            log.error(
+                f"PDB file {pdb_code} not found and no replacement \
+                      structure found in obsolete lookup."
+            )
+    # Rename file to .pdb from .ent
+    os.rename(
+        config.pdb_dir / f"pdb{pdb_code}.ent",
+        config.pdb_dir / f"{pdb_code}.pdb",
+    )
+
+    # Assert file has been downloaded
+    assert any(pdb_code in s for s in os.listdir(config.pdb_dir))
+    log.info(f"Downloaded PDB file for: {pdb_code}")
+    return config.pdb_dir / f"{pdb_code}.pdb"
+
+
+def get_protein_name_from_filename(pdb_path: str) -> str:
+    """
+    Extracts a filename from a ``pdb_path``
+
+    :param pdb_path: Path to extract filename from.
+    :type pdb_path: str
+    :return: file name.
+    :rtype: str
+    """
+    _, tail = os.path.split(pdb_path)
+    tail = os.path.splitext(tail)[0]
+    return tail
+
+
+def filter_dataframe(
+    dataframe: pd.DataFrame,
+    by_column: str,
+    list_of_values: List[Any],
+    boolean: bool,
+) -> pd.DataFrame:
+    """
+    Filter function for dataframe.
+
+    Filters the dataframe such that the ``by_column`` values have to be
+    in the ``list_of_values`` list if ``boolean == True``, or not in the list
+    if ``boolean == False``.
+
+    :param dataframe: pd.DataFrame to filter.
+    :type dataframe: pd.DataFrame
+    :param by_column: str denoting column of dataframe to filter.
+    :type by_column: str
+    :param list_of_values: List of values to filter with.
+    :type list_of_values: List[Any]
+    :param boolean: indicates whether to keep or exclude matching ``list_of_values``. ``True`` -> in list, ``False`` -> not in list.
+    :type boolean: bool
+    :returns: Filtered dataframe.
+    :rtype: pd.DataFrame
+    """
+    df = dataframe.copy()
+    df = df[df[by_column].isin(list_of_values) == boolean]
+    df.reset_index(inplace=True, drop=True)
+
+    return df
+
+
+def compute_rgroup_dataframe(pdb_df: pd.DataFrame) -> pd.DataFrame:
+    """Return the atoms that are in R-groups and not the backbone chain.
+
+    :param pdb_df: DataFrame to compute R group dataframe from.
+    :type pdb_df: pd.DataFrame
+    :returns: Dataframe containing R-groups only (backbone atoms removed).
+    :rtype: pd.DataFrame
+    """
+    return filter_dataframe(pdb_df, "atom_name", BACKBONE_ATOMS, False)
+
+
+def download_alphafold_structure(
+    uniprot_id: str,
+    version: int = 2,
+    out_dir: str = ".",
+    rename: bool = True,
+    pdb: bool = True,
+    mmcif: bool = False,
+    aligned_score: bool = True,
+) -> Union[str, Tuple[str, str]]:
+    """
+    Downloads a structure from the Alphafold EBI database (https://alphafold.ebi.ac.uk/files/").
+
+    :param uniprot_id: UniProt ID of desired protein.
+    :type uniprot_id: str
+    :param version: Version of the structure to download
+    :type version: int
+    :param out_dir: string specifying desired output location. Default is pwd.
+    :type out_dir: str
+    :param rename: boolean specifying whether to rename the output file to ``$uniprot_id.pdb``. Default is ``True``.
+    :type rename: bool
+    :param pdb: boolean specifying whether to download the PDB file. Default is ``True``.
+    :type pdb: bool
+    :param mmcif: Bool specifying whether to download MMCiF or PDB. Default is false (downloads pdb)
+    :type mmcif: bool
+    :param retrieve_aligned_score: Bool specifying whether or not to download score alignment json.
+    :type retrieve_aligned_score: bool
+    :return: path to output. Tuple if several outputs specified.
+    :rtype: Union[str, Tuple[str, str]]
+    """
+    BASE_URL = "https://alphafold.ebi.ac.uk/files/"
+    uniprot_id = uniprot_id.upper()
+
+    if not mmcif and not pdb:
+        raise ValueError("Must specify either mmcif or pdb.")
+    if mmcif:
+        query_url = f"{BASE_URL}AF-{uniprot_id}-F1-model_v{version}.cif"
+    if pdb:
+        query_url = f"{BASE_URL}AF-{uniprot_id}-F1-model_v{version}.pdb"
+    structure_filename = wget.download(query_url, out=out_dir)
+
+    if rename:
+        extension = ".pdb" if pdb else ".cif"
+        os.rename(
+            structure_filename, Path(out_dir) / f"{uniprot_id}{extension}"
+        )
+        structure_filename = str(
+            (Path(out_dir) / f"{uniprot_id}{extension}").resolve()
+        )
+
+    log.info(f"Downloaded AlphaFold PDB file for: {uniprot_id}")
+    if aligned_score:
+        score_query = (
+            BASE_URL
+            + "AF-"
+            + uniprot_id
+            + f"-F1-predicted_aligned_error_v{version}.json"
+        )
+        score_filename = wget.download(score_query, out=out_dir)
+        if rename:
+            os.rename(score_filename, Path(out_dir) / f"{uniprot_id}.json")
+            score_filename = str(
+                (Path(out_dir) / f"{uniprot_id}.json").resolve()
+            )
+        return structure_filename, score_filename
+
+    return structure_filename
+
+
+def three_to_one_with_mods(res: str) -> str:
+    """
+    Converts three letter AA codes into 1 letter. Allows for modified residues.
+
+    See: :const:`~graphein.protein.resi_atoms.RESI_THREE_TO_1`.
+
+    :param res: Three letter residue code string.
+    :type res: str
+    :return: 1-letter residue code.
+    :rtype: str
+    """
+    return RESI_THREE_TO_1[res]
+
+
+def save_graph_to_pdb(g: nx.Graph, path: str, gz: bool = False):
+    """Saves processed ``pdb_df`` (``g.graph["pdb_df"]``) dataframe to a PDB file.
+
+    N.B. PDBs do not contain connectivity information.
+    This only captures the nodes in the graph.
+    Connectivity is filled in according to standard rules by visualisation programs.
+
+    :param g: Protein graph to save dataframe from.
+    :type g: nx.Graph
+    :param path: Path to save PDB file to.
+    :type path: str
+    :param gz: Whether to gzip the file. Defaults to ``False``.
+    :type gz: bool
+    """
+    ppd = PandasPdb()
+    ppd.df["ATOM"] = g.graph["pdb_df"]
+    ppd.to_pdb(path=path, records=None, gz=gz, append_newline=True)
+    log.info(f"Successfully saved graph to {path}")
+
+
+def save_pdb_df_to_pdb(df: pd.DataFrame, path: str, gz: bool = False):
+    """Saves pdb dataframe to a PDB file.
+
+    :param g: Dataframe to save as PDB
+    :type g: pd.DataFrame
+    :param path: Path to save PDB file to.
+    :type path: str
+    :param gz: Whether to gzip the file. Defaults to ``False``.
+    :type gz: bool
+    """
+    ppd = PandasPdb()
+    ppd.df["ATOM"] = df
+    ppd.to_pdb(path=path, records=None, gz=False, append_newline=True)
+    log.info(f"Successfully saved PDB dataframe to {path}")
+
+
+def save_rgroup_df_to_pdb(g: nx.Graph, path: str, gz: bool = False):
+    """Saves R-group (``g.graph["rgroup_df"]``) dataframe to a PDB file.
+
+    N.B. PDBs do not contain connectivity information.
+    This only captures the atoms in the r groups.
+    Connectivity is filled in according to standard rules by visualisation programs.
+
+    :param g: Protein graph to save R group dataframe from.
+    :type g: nx.Graph
+    :param path: Path to save PDB file to.
+    :type path: str
+    :param gz: Whether to gzip the file. Defaults to ``False``.
+    :type gz: bool
+    """
+    ppd = PandasPdb()
+    ppd.df["ATOM"] = g.graph["rgroup_df"]
+    ppd.to_pdb(path=path, records=None, gz=gz, append_newline=True)
+    log.info(f"Successfully saved rgroup data to {path}")
+
+
+def is_tool(name: str) -> bool:
+    """Checks whether ``name`` is on PATH and is marked as an executable.
+    
+    Source: https://stackoverflow.com/questions/11210104/check-if-a-program-exists-from-a-python-script
+
+    :param name: Name of program to check for execution ability.
+    :type name: str
+    :return: Whether ``name`` is on PATH and is marked as an executable.
+    :rtype: bool
+    """
+    return which(name) is not None
diff --git a/graphein/protein_ligand/visualisation.py b/graphein/protein_ligand/visualisation.py
new file mode 100644
index 000000000..3cfbd71d8
--- /dev/null
+++ b/graphein/protein_ligand/visualisation.py
@@ -0,0 +1,979 @@
+"""Functions for plotting protein graphs and meshes."""
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>
+# License: MIT
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+import logging
+from itertools import count
+from typing import Dict, List, Optional, Tuple, Union
+
+import matplotlib
+import matplotlib.pyplot as plt
+import networkx as nx
+import numpy as np
+import plotly.express as px
+import plotly.graph_objects as go
+import seaborn as sns
+from mpl_toolkits.mplot3d import Axes3D
+
+from graphein.protein.subgraphs import extract_k_hop_subgraph
+from graphein.utils.utils import import_message
+
+log = logging.getLogger(__name__)
+
+
+try:
+    from pytorch3d.ops import sample_points_from_meshes
+except ImportError:
+    message = import_message(
+        submodule="graphein.protein.visualisation",
+        package="pytorch3d",
+        conda_channel="pytorch3d",
+    )
+    log.warning(message)
+
+try:
+    from mpl_chord_diagram import chord_diagram
+except ImportError:
+    import_message(
+        submodule="graphein.protein.visualisation",
+        package="mpl_chord_diagram",
+        pip_install=True,
+    )
+
+
+def plot_pointcloud(mesh: Meshes, title: str = "") -> Axes3D:
+    """
+    Plots pytorch3d Meshes object as pointcloud.
+
+    :param mesh: Meshes object to plot.
+    :type mesh: pytorch3d.structures.meshes.Meshes
+    :param title: Title of plot.
+    :type title: str
+    :return: returns Axes3D containing plot
+    :rtype: Axes3D
+    """
+    # Sample points uniformly from the surface of the mesh.
+    points = sample_points_from_meshes(mesh, 5000)
+    x, y, z = points.clone().detach().cpu().squeeze().unbind(1)
+    fig = plt.figure(figsize=(5, 5))
+    ax = Axes3D(fig)
+    ax.scatter3D(x, z, -y)
+    ax.set_xlabel("x")
+    ax.set_ylabel("z")
+    ax.set_zlabel("y")
+    ax.set_title(title)
+    ax.view_init(190, 30)
+    return ax
+
+
+def colour_nodes(
+    G: nx.Graph,
+    colour_by: str,
+    colour_map: matplotlib.colors.ListedColormap = plt.cm.plasma,
+) -> List[Tuple[float, float, float, float]]:
+    """
+    Computes node colours based on ``"degree"``, ``"seq_position"`` or node attributes.
+
+    :param G: Graph to compute node colours for
+    :type G: nx.Graph
+    :param colour_map:  Colourmap to use.
+    :type colour_map: matplotlib.colors.ListedColormap
+    :param colour_by: Manner in which to colour nodes. If not ``"degree"`` or ``"seq_position"``, this must correspond to a node feature.
+    :type colour_by: str
+    :return: List of node colours
+    :rtype: List[Tuple[float, float, float, float]]
+    """
+    # get number of nodes
+    n = G.number_of_nodes()
+
+    # Define color range proportional to number of edges adjacent to a single node
+    if colour_by == "degree":
+        # Get max number of edges connected to a single node
+        edge_max = max([G.degree[i] for i in G.nodes()])
+        colors = [colour_map(G.degree[i] / edge_max) for i in G.nodes()]
+    elif colour_by == "seq_position":
+        colors = [colour_map(i / n) for i in range(n)]
+    elif colour_by == "chain":
+        chains = G.graph["chain_ids"]
+        chain_colours = dict(
+            zip(chains, list(colour_map(1 / len(chains), 1, len(chains))))
+        )
+        colors = [chain_colours[d["chain_id"]] for n, d in G.nodes(data=True)]
+    else:
+        node_types = set(nx.get_node_attributes(G, colour_by).values())
+        mapping = dict(zip(sorted(node_types), count()))
+        colors = [
+            colour_map(mapping[d[colour_by]] / len(node_types))
+            for n, d in G.nodes(data=True)
+        ]
+
+    return colors
+
+
+def colour_edges(
+    G: nx.Graph,
+    colour_map: matplotlib.colors.ListedColormap,
+    colour_by: str = "kind",
+) -> List[Tuple[float, float, float, float]]:
+    """
+    Computes edge colours based on the kind of bond/interaction.
+
+    :param G: nx.Graph protein structure graph to compute edge colours from.
+    :type G: nx.Graph
+    :param colour_map: Colourmap to use.
+    :type colour_map: matplotlib.colors.ListedColormap
+    :param colour_by: Edge attribute to colour by. Currently only ``"kind"`` is supported.
+    :type colour_by: str
+    :return: List of edge colours.
+    :rtype: List[Tuple[float, float, float, float]]
+    """
+    if colour_by == "kind":
+        edge_types = set(
+            frozenset(a) for a in nx.get_edge_attributes(G, "kind").values()
+        )
+        mapping = dict(zip(sorted(edge_types), count()))
+        colors = [
+            colour_map(
+                mapping[frozenset(G.edges[i]["kind"])]
+                / (len(edge_types) + 1)  # avoid division by zero error
+            )
+            for i in G.edges()
+        ]
+    else:
+        raise NotImplementedError(
+            "Other edge colouring methods not implemented."
+        )
+    return colors
+
+
+def plotly_protein_structure_graph(
+    G: nx.Graph,
+    plot_title: Optional[str] = None,
+    figsize: Tuple[int, int] = (620, 650),
+    node_alpha: float = 0.7,
+    node_size_min: float = 20.0,
+    node_size_multiplier: float = 20.0,
+    label_node_ids: bool = True,
+    node_colour_map=plt.cm.plasma,
+    edge_color_map=plt.cm.plasma,
+    colour_nodes_by: str = "degree",
+    colour_edges_by: str = "kind",
+) -> go.Figure:
+    """
+    Plots protein structure graph using plotly.
+
+    :param G:  nx.Graph Protein Structure graph to plot
+    :type G: nx.Graph
+    :param plot_title: Title of plot, defaults to ``None``.
+    :type plot_title: str, optional
+    :param figsize: Size of figure, defaults to ``(620, 650)``.
+    :type figsize: Tuple[int, int]
+    :param node_alpha: Controls node transparency, defaults to ``0.7``.
+    :type node_alpha: float
+    :param node_size_min: Specifies node minimum size. Defaults to ``20.0``.
+    :type node_size_min: float
+    :param node_size_multiplier: Scales node size by a constant. Node sizes reflect degree. Defaults to ``20.0``.
+    :type node_size_multiplier: float
+    :param label_node_ids: bool indicating whether or not to plot ``node_id`` labels. Defaults to ``True``.
+    :type label_node_ids: bool
+    :param node_colour_map: colour map to use for nodes. Defaults to ``plt.cm.plasma``.
+    :type node_colour_map: plt.cm
+    :param edge_color_map: colour map to use for edges. Defaults to ``plt.cm.plasma``.
+    :type edge_color_map: plt.cm
+    :param colour_nodes_by: Specifies how to colour nodes. ``"degree"``, ``"seq_position"`` or a node feature.
+    :type colour_edges_by: str
+    :param colour_edges_by: Specifies how to colour edges. Currently only ``"kind"`` is supported.
+    :type colour_nodes_by: str
+    :returns: Plotly Graph Objects plot
+    :rtype: go.Figure
+    """
+
+    # Get Node Attributes
+    pos = nx.get_node_attributes(G, "coords")
+
+    # Get node colours
+    node_colors = colour_nodes(
+        G, colour_map=node_colour_map, colour_by=colour_nodes_by
+    )
+    edge_colors = colour_edges(
+        G, colour_map=edge_color_map, colour_by=colour_edges_by
+    )
+
+    # 3D network plot
+    x_nodes = []
+    y_nodes = []
+    z_nodes = []
+    node_sizes = []
+    node_labels = []
+
+    # Loop on the pos dictionary to extract the x,y,z coordinates of each node
+    for i, (key, value) in enumerate(pos.items()):
+        x_nodes.append(value[0])
+        y_nodes.append(value[1])
+        z_nodes.append(value[2])
+        node_sizes.append(node_size_min + node_size_multiplier * G.degree[key])
+
+        if label_node_ids:
+            node_labels.append(list(G.nodes())[i])
+
+    nodes = go.Scatter3d(
+        x=x_nodes,
+        y=y_nodes,
+        z=z_nodes,
+        mode="markers",
+        marker={
+            "symbol": "circle",
+            "color": node_colors,
+            "size": node_sizes,
+            "opacity": node_alpha,
+        },
+        text=list(G.nodes()),
+        hoverinfo="text+x+y+z",
+    )
+
+    # Loop on the list of edges to get the x,y,z, coordinates of the connected nodes
+    # Those two points are the extrema of the line to be plotted
+    x_edges = []
+    y_edges = []
+    z_edges = []
+
+    for node_a, node_b in G.edges(data=False):
+        x_edges.extend([pos[node_a][0], pos[node_b][0], None])
+        y_edges.extend([pos[node_a][1], pos[node_b][1], None])
+        z_edges.extend([pos[node_a][2], pos[node_b][2], None])
+
+    axis = dict(
+        showbackground=False,
+        showline=False,
+        zeroline=False,
+        showgrid=False,
+        showticklabels=False,
+        title="",
+    )
+
+    repeated_edge_colours = []
+    for (
+        edge_col
+    ) in (
+        edge_colors
+    ):  # Repeat as each line segment is ({x,y,z}_start, {x,y,z}_end, None)
+        repeated_edge_colours.extend((edge_col, edge_col, edge_col))
+
+    edge_colors = repeated_edge_colours
+
+    edge_text = [
+        " / ".join(list(edge_type))
+        for edge_type in nx.get_edge_attributes(G, "kind").values()
+    ]
+    edge_text = np.repeat(
+        edge_text, 3
+    )  # Repeat as each line segment is ({x,y,z}_start, {x,y,z}_end, None)
+
+    edges = go.Scatter3d(
+        x=x_edges,
+        y=y_edges,
+        z=z_edges,
+        mode="lines",
+        line={"color": edge_colors, "width": 10},
+        text=edge_text,
+        hoverinfo="text",
+    )
+
+    return go.Figure(
+        data=[nodes, edges],
+        layout=go.Layout(
+            title=plot_title,
+            width=figsize[0],
+            height=figsize[1],
+            showlegend=False,
+            scene=dict(
+                xaxis=dict(axis),
+                yaxis=dict(axis),
+                zaxis=dict(axis),
+            ),
+            margin=dict(t=100),
+        ),
+    )
+
+
+def plot_protein_structure_graph(
+    G: nx.Graph,
+    angle: int = 30,
+    plot_title: Optional[str] = None,
+    figsize: Tuple[int, int] = (10, 7),
+    node_alpha: float = 0.7,
+    node_size_min: float = 20.0,
+    node_size_multiplier: float = 20.0,
+    label_node_ids: bool = True,
+    node_colour_map=plt.cm.plasma,
+    edge_color_map=plt.cm.plasma,
+    colour_nodes_by: str = "degree",
+    colour_edges_by: str = "kind",
+    edge_alpha: float = 0.5,
+    plot_style: str = "ggplot",
+    out_path: Optional[str] = None,
+    out_format: str = ".png",
+) -> Axes3D:
+    """
+    Plots protein structure graph in ``Axes3D``.
+
+    :param G:  nx.Graph Protein Structure graph to plot.
+    :type G: nx.Graph
+    :param angle:  View angle. Defaults to ``30``.
+    :type angle: int
+    :param plot_title: Title of plot. Defaults to ``None``.
+    :type plot_title: str, optional
+    :param figsize: Size of figure, defaults to ``(10, 7)``.
+    :type figsize: Tuple[int, int]
+    :param node_alpha: Controls node transparency, defaults to ``0.7``.
+    :type node_alpha: float
+    :param node_size_min: Specifies node minimum size, defaults to ``20``.
+    :type node_size_min: float
+    :param node_size_multiplier: Scales node size by a constant. Node sizes reflect degree. Defaults to ``20``.
+    :type node_size_multiplier: float
+    :param label_node_ids: bool indicating whether or not to plot ``node_id`` labels. Defaults to ``True``.
+    :type label_node_ids: bool
+    :param node_colour_map: colour map to use for nodes. Defaults to ``plt.cm.plasma``.
+    :type node_colour_map: plt.cm
+    :param edge_color_map: colour map to use for edges. Defaults to ``plt.cm.plasma``.
+    :type edge_color_map: plt.cm
+    :param colour_nodes_by: Specifies how to colour nodes. ``"degree"``, ``"seq_position"`` or a node feature.
+    :type colour_nodes_by: str
+    :param colour_edges_by: Specifies how to colour edges. Currently only ``"kind"`` is supported.
+    :type colour_edges_by: str
+    :param edge_alpha: Controls edge transparency. Defaults to ``0.5``.
+    :type edge_alpha: float
+    :param plot_style: matplotlib style sheet to use. Defaults to ``"ggplot"``.
+    :type plot_style: str
+    :param out_path: If not none, writes plot to this location. Defaults to ``None`` (does not save).
+    :type out_path: str, optional
+    :param out_format: Fileformat to use for plot
+    :type out_format: str
+    :return: matplotlib Axes3D object.
+    :rtype: Axes3D
+    """
+
+    # Get Node Attributes
+    pos = nx.get_node_attributes(G, "coords")
+
+    # Get node colours
+    node_colors = colour_nodes(
+        G, colour_map=node_colour_map, colour_by=colour_nodes_by
+    )
+    edge_colors = colour_edges(
+        G, colour_map=edge_color_map, colour_by=colour_edges_by
+    )
+
+    # 3D network plot
+    with plt.style.context(plot_style):
+
+        fig = plt.figure(figsize=figsize)
+        ax = Axes3D(fig, auto_add_to_figure=True)
+
+        # Loop on the pos dictionary to extract the x,y,z coordinates of each node
+        for i, (key, value) in enumerate(pos.items()):
+            xi = value[0]
+            yi = value[1]
+            zi = value[2]
+
+            # Scatter plot
+            ax.scatter(
+                xi,
+                yi,
+                zi,
+                color=node_colors[i],
+                s=node_size_min + node_size_multiplier * G.degree[key],
+                edgecolors="k",
+                alpha=node_alpha,
+            )
+            if label_node_ids:
+                label = list(G.nodes())[i]
+                ax.text(xi, yi, zi, label)
+
+        # Loop on the list of edges to get the x,y,z, coordinates of the connected nodes
+        # Those two points are the extrema of the line to be plotted
+        for i, j in enumerate(G.edges()):
+            x = np.array((pos[j[0]][0], pos[j[1]][0]))
+            y = np.array((pos[j[0]][1], pos[j[1]][1]))
+            z = np.array((pos[j[0]][2], pos[j[1]][2]))
+
+            # Plot the connecting lines
+            ax.plot(x, y, z, c=edge_colors[i], alpha=edge_alpha)
+
+    # Set title
+    ax.set_title(plot_title)
+    # Set the initial view
+    ax.view_init(30, angle)
+    # Hide the axes
+    ax.set_axis_off()
+    if out_path is not None:
+        plt.savefig(out_path + str(angle).zfill(3) + out_format)
+        plt.close("all")
+
+    return ax
+
+
+def add_vector_to_plot(
+    g: nx.Graph,
+    fig,
+    vector: str = "sidechain_vector",
+    scale: float = 5,
+    colour: str = "red",
+    width: int = 10,
+) -> go.Figure:
+    """Adds representations of vector features to the protein graph.
+
+    Requires all nodes have a vector feature (1 x 3 array).
+
+    :param g: Protein graph containing vector features
+    :type g: nx.Graph
+    :param fig: 3D plotly figure to add vectors to.
+    :type fig: go.Figure
+    :param vector: Name of node vector feature to add, defaults to "sidechain_vector"
+    :type vector: str, optional
+    :param scale: How much to scale the vectors by, defaults to 5
+    :type scale: float, optional
+    :param colour: Colours for vectors, defaults to "red"
+    :type colour: str, optional
+    :return: 3D Plotly plot with vectors added.
+    :rtype: go.Figure
+    """
+    # Compute line segment positions
+    x_edges = []
+    y_edges = []
+    z_edges = []
+    edge_text = []
+    for _, d in g.nodes(data=True):
+        x_edges.extend(
+            [d["coords"][0], d["coords"][0] + d[vector][0] * scale, None]
+        )
+        y_edges.extend(
+            [d["coords"][1], d["coords"][1] + d[vector][1] * scale, None]
+        )
+        z_edges.extend(
+            [d["coords"][2], d["coords"][2] + d[vector][2] * scale, None]
+        )
+        edge_text.extend([None, f"{vector}", None])
+
+    edge_trace = go.Scatter3d(
+        x=x_edges,
+        y=y_edges,
+        z=z_edges,
+        mode="lines",
+        line={"color": colour, "width": width},
+        text=3 * [f"{vector}" for _ in range(len(g))],
+        hoverinfo="text",
+    )
+    # Compute cone positions.
+    arrow_tip_ratio = 0.1
+    arrow_starting_ratio = 0.98
+    x = []
+    y = []
+    z = []
+    u = []
+    v = []
+    w = []
+    for _, d in g.nodes(data=True):
+        x.extend(
+            [d["coords"][0] + d[vector][0] * scale * arrow_starting_ratio]
+        )
+        y.extend(
+            [d["coords"][1] + d[vector][1] * scale * arrow_starting_ratio]
+        )
+        z.extend(
+            [d["coords"][2] + d[vector][2] * scale * arrow_starting_ratio]
+        )
+        u.extend([d[vector][0]])  # * arrow_tip_ratio])
+        v.extend([d[vector][1]])  # * arrow_tip_ratio])
+        w.extend([d[vector][2]])  # * arrow_tip_ratio])
+
+    if colour == "red":
+        colour = [[0, "rgb(255,0,0)"], [1, "rgb(255,0,0)"]]
+    elif colour == "blue":
+        colour = [[0, "rgb(0,0,255)"], [1, "rgb(0,0,255)"]]
+    elif colour == "green":
+        colour = [[0, "rgb(0,255,0)"], [1, "rgb(0,255,0)"]]
+
+    cone_trace = go.Cone(
+        x=x,
+        y=y,
+        z=z,
+        u=u,
+        v=v,
+        w=w,
+        text=[f"{vector}" for _ in range(len(g.nodes()))],
+        hoverinfo="u+v+w+text",
+        colorscale=colour,
+        showlegend=False,
+        showscale=False,
+        sizemode="absolute",
+    )
+    fig.add_trace(edge_trace)
+    fig.add_trace(cone_trace)
+    return fig
+
+
+def plot_distance_matrix(
+    g: Optional[nx.Graph],
+    dist_mat: Optional[np.ndarray] = None,
+    use_plotly: bool = True,
+    title: Optional[str] = None,
+    show_residue_labels: bool = True,
+) -> go.Figure:
+    """Plots a distance matrix of the graph.
+
+    :param g: NetworkX graph containing a distance matrix as a graph attribute (``g.graph['dist_mat']``).
+    :type g: nx.Graph, optional
+    :param dist_mat: Distance matrix to plot. If not provided, the distance matrix is taken from the graph. Defaults to ``None``.
+    :type dist_mat: np.ndarray, optional
+    :param use_plotly: Whether to use ``plotly`` or ``seaborn`` for plotting. Defaults to ``True``.
+    :type use_plotly: bool
+    :param title: Title of the plot.Defaults to ``None``.
+    :type title: str, optional
+    :show_residue_labels: Whether to show residue labels on the plot. Defaults to ``True``.
+    :type show_residue_labels: bool
+    :raises: ValueError if neither a graph ``g`` or a ``dist_mat`` are provided.
+    :return: Plotly figure.
+    :rtype: px.Figure
+    """
+    if g is None and dist_mat is None:
+        raise ValueError("Must provide either a graph or a distance matrix.")
+
+    if dist_mat is None:
+        dist_mat = g.graph["dist_mat"]
+    if g is not None:
+        x_range = list(g.nodes)
+        y_range = list(g.nodes)
+        if not title:
+            title = g.graph["name"] + " - Distance Matrix"
+    else:
+        x_range = list(range(dist_mat.shape[0]))
+        y_range = list(range(dist_mat.shape[1]))
+        if not title:
+            title = "Distance matrix"
+
+    if use_plotly:
+        fig = px.imshow(
+            dist_mat,
+            x=x_range,
+            y=y_range,
+            labels=dict(color="Distance"),
+            title=title,
+        )
+    else:
+        if show_residue_labels:
+            tick_labels = x_range
+        else:
+            tick_labels = []
+        fig = sns.heatmap(
+            dist_mat, xticklabels=tick_labels, yticklabels=tick_labels
+        ).set(title=title)
+
+    return fig
+
+
+def plot_distance_landscape(
+    g: Optional[nx.Graph] = None,
+    dist_mat: Optional[np.ndarray] = None,
+    add_contour: bool = True,
+    title: Optional[str] = None,
+    width: int = 500,
+    height: int = 500,
+    autosize: bool = False,
+) -> go.Figure:
+    """Plots a distance landscape of the graph.
+
+    :param g: Graph to plot (must contain a distance matrix in ``g.graph["dist_mat"]``).
+    :type g: nx.Graph
+    :param add_contour: Whether or not to show the contour, defaults to ``True``.
+    :type add_contour: bool, optional
+    :param width: Plot width, defaults to ``500``.
+    :type width: int, optional
+    :param height: Plot height, defaults to ``500``.
+    :type height: int, optional
+    :param autosize: Whether or not to autosize the plot, defaults to ``False``.
+    :type autosize: bool, optional
+    :return: Plotly figure of distance landscape.
+    :rtype: go.Figure
+    """
+    if g:
+        dist_mat = g.graph["dist_mat"]
+        if not title:
+            title = g.graph["name"] + " - Distance Landscape"
+        tick_labels = list(g.nodes)
+    else:
+        if not title:
+            title = "Distance landscape"
+        tick_labels = list(range(dist_mat.shape[0]))
+
+    fig = go.Figure(data=[go.Surface(z=dist_mat)])
+
+    if add_contour:
+        fig.update_traces(
+            contours_z=dict(
+                show=True,
+                usecolormap=True,
+                highlightcolor="limegreen",
+                project_z=True,
+            )
+        )
+
+    fig.update_layout(
+        title=title,
+        autosize=autosize,
+        width=width,
+        height=height,
+        scene=dict(
+            zaxis_title="Distance",
+            xaxis=dict(
+                ticktext=tick_labels,
+                tickvals=list(range(len(tick_labels))),
+                nticks=10,
+                showticklabels=False,
+            ),
+            yaxis=dict(
+                ticktext=tick_labels,
+                tickvals=list(range(len(tick_labels))),
+                nticks=10,
+                showticklabels=False,
+            ),
+        ),
+    )
+
+    return fig
+
+
+def asteroid_plot(
+    g: nx.Graph,
+    node_id: str,
+    k: int = 2,
+    colour_nodes_by: str = "shell",  # residue_name
+    colour_edges_by: str = "kind",
+    edge_colour_map: plt.cm.Colormap = plt.cm.plasma,
+    show_labels: bool = True,
+    title: Optional[str] = None,
+    width: int = 600,
+    height: int = 500,
+    use_plotly: bool = True,
+    show_edges: bool = False,
+    node_size_multiplier: float = 10,
+) -> Union[plotly.graph_objects.Figure, matplotlib.figure.Figure]:
+    """Plots a k-hop subgraph around a node as concentric shells.
+
+    Radius of each point is proportional to the degree of the node (modified by node_size_multiplier).
+
+    :param g: NetworkX graph to plot.
+    :type g: nx.Graph
+    :param node_id: Node to centre the plot around.
+    :type node_id: str
+    :param k: Number of hops to plot. Defaults to ``2``.
+    :type k: int
+    :param colour_nodes_by: Colour the nodes by this attribute. Currently only ``"shell"`` is supported.
+    :type colour_nodes_by: str
+    :param colour_edges_by: Colour the edges by this attribute. Currently only ``"kind"`` is supported.
+    :type colour_edges_by: str
+    :param edge_colour_map: Colour map for edges. Defaults to ``plt.cm.plasma``.
+    :type edge_colour_map: plt.cm.Colormap
+    :param title: Title of the plot. Defaults to ``None``.
+    :type title: str
+    :param width: Width of the plot. Defaults to ``600``.
+    :type width: int
+    :param height: Height of the plot. Defaults to ``500``.
+    :type height: int
+    :param use_plotly: Use plotly to render the graph. Defaults to ``True``.
+    :type use_plotly: bool
+    :param show_edges: Whether or not to show edges in the plot. Defaults to ``False``.
+    :type show_edges: bool
+    :param node_size_multiplier: Multiplier for the size of the nodes. Defaults to ``10``.
+    :type node_size_multiplier: float.
+    :returns: Plotly figure or matplotlib figure.
+    :rtpye: Union[plotly.graph_objects.Figure, matplotlib.figure.Figure]
+    """
+    assert node_id in g.nodes(), f"Node {node_id} not in graph"
+
+    nodes: Dict[int, List[str]] = {}
+    nodes[0] = [node_id]
+    node_list: List[str] = [node_id]
+    # Iterate over the number of hops and extract nodes in each shell
+    for i in range(1, k):
+        subgraph = extract_k_hop_subgraph(g, node_id, k=i)
+        candidate_nodes = subgraph.nodes()
+        # Check we've not already found nodes in the previous shells
+        nodes[i] = [n for n in candidate_nodes if n not in node_list]
+        node_list += candidate_nodes
+    shells = [nodes[i] for i in range(k)]
+    log.debug(f"Plotting shells: {shells}")
+
+    if use_plotly:
+        # Get shell layout and set as node attributes.
+        pos = nx.shell_layout(subgraph, shells)
+        nx.set_node_attributes(subgraph, pos, "pos")
+
+        if show_edges:
+            edge_colors = colour_edges(
+                subgraph, colour_map=edge_colour_map, colour_by=colour_edges_by
+            )
+
+            edge_x: List[str] = []
+            edge_y: List[str] = []
+            edge_type: List[str] = []
+            for u, v in subgraph.edges():
+                x0, y0 = subgraph.nodes[u]["pos"]
+                x1, y1 = subgraph.nodes[v]["pos"]
+                edge_x.append(x0)
+                edge_x.append(x1)
+                edge_x.append(None)
+                edge_y.append(y0)
+                edge_y.append(y1)
+                edge_y.append(None)
+            edge_trace = go.Scatter(
+                x=edge_x,
+                y=edge_y,
+                line=dict(width=1, color=edge_colors),
+                hoverinfo="text",
+                mode="lines",
+                text=[
+                    " / ".join(list(edge_type))
+                    for edge_type in nx.get_edge_attributes(
+                        subgraph, "kind"
+                    ).values()
+                ],
+            )
+
+        node_x: List[str] = []
+        node_y: List[str] = []
+        for node in subgraph.nodes():
+            x, y = subgraph.nodes[node]["pos"]
+            node_x.append(x)
+            node_y.append(y)
+
+        degrees = [
+            subgraph.degree(n) * node_size_multiplier for n in subgraph.nodes()
+        ]
+
+        if colour_nodes_by == "shell":
+            node_colours = []
+            for n in subgraph.nodes():
+                for k, v in nodes.items():
+                    if n in v:
+                        node_colours.append(k)
+        else:
+            raise NotImplementedError(
+                f"Colour by {colour_nodes_by} not implemented."
+            )
+            # TODO colour by AA type
+        node_trace = go.Scatter(
+            x=node_x,
+            y=node_y,
+            text=list(subgraph.nodes()),
+            mode="markers+text" if show_labels else "markers",
+            hoverinfo="text",
+            textposition="bottom center",
+            marker=dict(
+                colorscale="YlGnBu",
+                reversescale=True,
+                color=node_colours,
+                size=degrees,
+                colorbar=dict(
+                    thickness=15,
+                    title="Shell",
+                    tickvals=list(range(k)),
+                    xanchor="left",
+                    titleside="right",
+                ),
+                line_width=2,
+            ),
+        )
+
+        data = [edge_trace, node_trace] if show_edges else [node_trace]
+        fig = go.Figure(
+            data=data,
+            layout=go.Layout(
+                title=title if title else f'Asteroid Plot - {g.graph["name"]}',
+                width=width,
+                height=height,
+                titlefont_size=16,
+                showlegend=False,
+                hovermode="closest",
+                margin=dict(b=20, l=5, r=5, t=40),
+                xaxis=dict(
+                    showgrid=False, zeroline=False, showticklabels=False
+                ),
+                yaxis=dict(
+                    showgrid=False, zeroline=False, showticklabels=False
+                ),
+            ),
+        )
+        return fig
+    else:
+        nx.draw_shell(subgraph, nlist=shells, with_labels=show_labels)
+
+
+def plot_chord_diagram(
+    g: nx.Graph,
+    show_names: bool = True,
+    order: Optional[List] = None,
+    width: float = 0.1,
+    pad: float = 2.0,
+    gap: float = 0.03,
+    chordwidth: float = 0.7,
+    ax=None,
+    colors=None,
+    cmap=None,
+    alpha=0.7,
+    use_gradient: bool = False,
+    chord_colors=None,
+    show: bool = False,
+    **kwargs,
+):
+    """
+    Plot a chord diagram.
+
+
+    Based on Tanguy Fardet's implementation:
+    https://github.com/tfardet/mpl_chord_diagram
+
+    :param g: NetworkX graph to plot
+        Flux data, mat[i, j] is the flux from i to j (adjacency matrix)
+    :type g: nx.Graph
+    :param show_names: Whether to show the names of the nodes
+    :type show_names: bool
+    :param order: list, optional (default: order of the matrix entries)
+        Order in which the arcs should be placed around the trigonometric
+        circle.
+    :param width: float, optional (default: 0.1)
+        Width/thickness of the ideogram arc.
+    :type width: float
+    :param pad: float, optional (default: 2)
+        Distance between two neighboring ideogram arcs. Unit: degree.
+    :type pad: float
+    :param gap: float, optional (default: 0)
+        Distance between the arc and the beginning of the cord.
+    :type gap: float
+    :param chordwidth: float, optional (default: 0.7)
+        Position of the control points for the chords, controlling their shape.
+    :param ax: matplotlib axis, optional (default: new axis)
+        Matplotlib axis where the plot should be drawn.
+    :param colors: list, optional (default: from `cmap`)
+        List of user defined colors or floats.
+    :param cmap: str or colormap object (default: viridis)
+        Colormap that will be used to color the arcs and chords by default.
+        See `chord_colors` to use different colors for chords.
+    :param alpha: float in [0, 1], optional (default: 0.7)
+        Opacity of the chord diagram.
+    :param use_gradient: bool, optional (default: False)
+        Whether a gradient should be use so that chord extremities have the
+        same color as the arc they belong to.
+    :type use_gradient: bool
+    :param chord_colors: str, or list of colors, optional (default: None)
+        Specify color(s) to fill the chords differently from the arcs.
+        When the keyword is not used, chord colors default to the colomap given
+        by `colors`.
+        Possible values for `chord_colors` are:
+
+        * a single color (do not use an RGB tuple, use hex format instead),
+          e.g. "red" or "#ff0000"; all chords will have this color
+        * a list of colors, e.g. ``["red", "green", "blue"]``, one per node
+          (in this case, RGB tuples are accepted as entries to the list).
+          Each chord will get its color from its associated source node, or
+          from both nodes if `use_gradient` is True.
+    :param show: bool, optional (default: False)
+        Whether the plot should be displayed immediately via an automatic call
+        to ``plt.show()``.
+    :param kwargs: keyword arguments
+        Available kwargs are:
+
+        ================  ==================  ===============================
+              Name               Type           Purpose and possible values
+        ================  ==================  ===============================
+        fontcolor         str or list         Color of the names
+        fontsize          int                 Size of the font for names
+        rotate_names      (list of) bool(s)   Rotate names by 90°
+        sort              str                 Either "size" or "distance"
+        zero_entry_size   float               Size of zero-weight reciprocal
+        ================  ==================  ===============================
+    :type kwargs: Dict[str, Any]
+    """
+    mat = nx.adjacency_matrix(g)
+    names = list(g.nodes)
+    if show_names:
+        if g.graph["node_type"] == "chain":
+            names = [f"Chain {n}" for n in names]
+        elif g.graph["node_type"] != "secondary_structure":
+            raise ValueError()
+    else:
+        names = None
+
+    a = chord_diagram(
+        mat,
+        names=names,
+        order=order,
+        width=width,
+        pad=pad,
+        gap=gap,
+        chordwidth=chordwidth,
+        ax=ax,
+        colors=colors,
+        cmap=cmap,
+        alpha=alpha,
+        use_gradient=use_gradient,
+        chord_colors=chord_colors,
+        show=show,
+        **kwargs,
+    )
+
+
+if __name__ == "__main__":
+    # TODO: Move the block here into tests.
+    from graphein.protein.config import ProteinGraphConfig
+    from graphein.protein.edges.atomic import (
+        add_atomic_edges,
+        add_bond_order,
+        add_ring_status,
+    )
+    from graphein.protein.features.nodes.amino_acid import (
+        expasy_protein_scale,
+        meiler_embedding,
+    )
+    from graphein.protein.graphs import construct_graph
+
+    # Test Point cloud plotting
+    # v, f, a = create_mesh(pdb_code="3eiy")
+    # m = convert_verts_and_face_to_mesh(v, f)
+    # plot_pointcloud(m, "Test")
+    # TEST PROTEIN STRUCTURE GRAPH PLOTTING
+    configs = {
+        "granularity": "atom",
+        "keep_hets": False,
+        "deprotonate": True,
+        "insertions": False,
+        "verbose": False,
+    }
+
+    config = ProteinGraphConfig(**configs)
+    config.edge_construction_functions = [
+        add_atomic_edges,
+        add_ring_status,
+        add_bond_order,
+    ]
+
+    config.node_metadata_functions = [meiler_embedding, expasy_protein_scale]
+
+    g = construct_graph(
+        config=config, pdb_path="../examples/pdbs/3eiy.pdb", pdb_code="3eiy"
+    )
+
+    p = plotly_protein_structure_graph(
+        g,
+        30,
+        (1000, 2000),
+        colour_nodes_by="element_symbol",
+        colour_edges_by="kind",
+        label_node_ids=False,
+    )
+
+    p.show()
diff --git a/graphein/utils/junction_tree/jt_utils.py b/graphein/utils/junction_tree/jt_utils.py
new file mode 100644
index 000000000..7f04068ed
--- /dev/null
+++ b/graphein/utils/junction_tree/jt_utils.py
@@ -0,0 +1,204 @@
+"""Utilities for working with graph objects."""
+# Graphein
+# Author: Arian Jamasb <arian@jamasb.io>, Eric Ma
+# License: MIT
+# TODO: code adapted from Wengong Jin https://github.com/wengong-jin/icml18-jtnn
+# Project Website: https://github.com/a-r-j/graphein
+# Code Repository: https://github.com/a-r-j/graphein
+from __future__ import annotations
+
+import os
+import platform
+import subprocess
+import sys
+import collections
+from typing import Any, Callable, Iterable, List, Optional, Tuple
+
+import networkx as nx
+from scipy.sparse import csr_matrix
+from scipy.sparse.csgraph import minimum_spanning_tree
+
+import rdkit
+import rdkit.Chem as Chem
+
+MST_MAX_WEIGHT = 100 
+MAX_NCAND = 2000
+
+def get_mol(smiles: str) -> rdkit.Chem.rdchem.Mol:
+    """
+    Function for getting rdmol from smiles
+
+    :param smiles: smiles string to get
+    :type x: str
+    :return: rdmol
+    :rtype: rdkit.Chem.rdchem.Mol
+    """
+    mol = Chem.MolFromSmiles(smiles)
+    if mol is None: 
+        return None
+    Chem.Kekulize(mol)
+    return mol
+
+def get_smiles(mol: rdkit.Chem.rdchem.Mol) -> str:
+    """
+    Function for getting smiles from rdmol
+
+    :param mol: rdmol to get
+    :type mol: rdkit.Chem.rdchem.Mol
+    :return: smiles string
+    :rtype: str
+    """
+    return Chem.MolToSmiles(mol, kekuleSmiles=True)
+
+def sanitize(mol: rdkit.Chem.rdchem.Mol) -> rdkit.Chem.rdchem.Mol:
+    """
+    Function for sanitizing a rdmol
+
+    :param mol: rdmol to sanitize
+    :type mol: rdkit.Chem.rdchem.Mol
+    :return: sanitized rdmol
+    :rtype: rdkit.Chem.rdchem.Mol
+    """
+    try:
+        smiles = get_smiles(mol)
+        mol = get_mol(smiles)
+    except Exception as e:
+        return None
+    return mol
+
+def copy_edit_mol(mol: rdkit.Chem.rdchem.Mol) -> rdkit.Chem.rdchem.Mol:
+    """
+    Function for copying a rdmol
+
+    :param mol: rdmol to copy
+    :type mol: rdkit.Chem.rdchem.Mol
+    :return: copied rdmol
+    :rtype: rdkit.Chem.rdchem.Mol
+    """
+    new_mol = Chem.RWMol(Chem.MolFromSmiles(''))
+    for atom in mol.GetAtoms():
+        new_atom = copy_atom(atom)
+        new_mol.AddAtom(new_atom)
+    for bond in mol.GetBonds():
+        a1 = bond.GetBeginAtom().GetIdx()
+        a2 = bond.GetEndAtom().GetIdx()
+        bt = bond.GetBondType()
+        new_mol.AddBond(a1, a2, bt)
+    return new_mol
+
+def get_clique_mol(mol: rdkit.Chem.rdchem.Atom, atoms: List[int]):
+    """
+    Function for getting clique rdmol
+
+    :param mol: rdmol to get clique
+    :type mol: rdkit.Chem.rdchem.Mol
+    :param atoms: atoms to cut
+    :type atoms: List[int]
+    :return: clique rdmol
+    :rtype: rdkit.Chem.rdchem.Mol
+    """
+    smiles = Chem.MolFragmentToSmiles(mol, atoms, kekuleSmiles=True)
+    new_mol = Chem.MolFromSmiles(smiles, sanitize=False)
+    new_mol = copy_edit_mol(new_mol).GetMol()
+    new_mol = sanitize(new_mol) #We assume this is not None
+    return new_mol
+
+def copy_atom(atom: rdkit.Chem.rdchem.Atom) -> rdkit.Chem.rdchem.Atom:
+    """
+    Function for copying an atom
+
+    :param mol: atom to copy
+    :type mol: rdkit.Chem.rdchem.Atom
+    :return: copied atom
+    :rtype: rdkit.Chem.rdchem.Atom
+    """
+    new_atom = Chem.Atom(atom.GetSymbol())
+    new_atom.SetFormalCharge(atom.GetFormalCharge())
+    new_atom.SetAtomMapNum(atom.GetAtomMapNum())
+    return new_atom
+
+def tree_decomp(mol: rdkit.Chem.rdchem.Mol) -> Tuple[List]:
+    """
+    Function for decomposing rdmol to a tree
+
+    :param mol: rdmol to decompose
+    :type mol: rdkit.Chem.rdchem.Mol
+    :return: decomposed cliques and edges between them
+    :rtype: Tuple[List]
+    """
+    n_atoms = mol.GetNumAtoms()
+    if n_atoms == 1: #special case
+        return [[0]], []
+
+    cliques = []
+    for bond in mol.GetBonds():
+        a1 = bond.GetBeginAtom().GetIdx()
+        a2 = bond.GetEndAtom().GetIdx()
+        if not bond.IsInRing():
+            cliques.append([a1,a2])
+
+    ssr = [list(x) for x in Chem.GetSymmSSSR(mol)]
+    cliques.extend(ssr)
+
+    nei_list = [[] for i in range(n_atoms)]
+    for i in range(len(cliques)):
+        for atom in cliques[i]:
+            nei_list[atom].append(i)
+    
+    #Merge Rings with intersection > 2 atoms
+    for i in range(len(cliques)):
+        if len(cliques[i]) <= 2: continue
+        for atom in cliques[i]:
+            for j in nei_list[atom]:
+                if i >= j or len(cliques[j]) <= 2: continue
+                inter = set(cliques[i]) & set(cliques[j])
+                if len(inter) > 2:
+                    cliques[i].extend(cliques[j])
+                    cliques[i] = list(set(cliques[i]))
+                    cliques[j] = []
+    
+    cliques = [c for c in cliques if len(c) > 0]
+    nei_list = [[] for i in range(n_atoms)]
+    for i in range(len(cliques)):
+        for atom in cliques[i]:
+            nei_list[atom].append(i)
+    
+    #Build edges and add singleton cliques
+    edges = collections.defaultdict(int)
+    for atom in range(n_atoms):
+        if len(nei_list[atom]) <= 1: 
+            continue
+        cnei = nei_list[atom]
+        bonds = [c for c in cnei if len(cliques[c]) == 2]
+        rings = [c for c in cnei if len(cliques[c]) > 4]
+        if len(bonds) > 2 or (len(bonds) == 2 and len(cnei) > 2): #In general, if len(cnei) >= 3, a singleton should be added, but 1 bond + 2 ring is currently not dealt with.
+            cliques.append([atom])
+            c2 = len(cliques) - 1
+            for c1 in cnei:
+                edges[(c1,c2)] = 1
+        elif len(rings) > 2: #Multiple (n>2) complex rings
+            cliques.append([atom])
+            c2 = len(cliques) - 1
+            for c1 in cnei:
+                edges[(c1,c2)] = MST_MAX_WEIGHT - 1
+        else:
+            for i in range(len(cnei)):
+                for j in range(i + 1, len(cnei)):
+                    c1,c2 = cnei[i],cnei[j]
+                    inter = set(cliques[c1]) & set(cliques[c2])
+                    if edges[(c1,c2)] < len(inter):
+                        edges[(c1,c2)] = len(inter) #cnei[i] < cnei[j] by construction
+
+    edges = [u + (MST_MAX_WEIGHT-v,) for u,v in edges.items()]
+    if len(edges) == 0:
+        return cliques, edges
+
+    #Compute Maximum Spanning Tree
+    row,col,data = zip(*edges)
+    n_clique = len(cliques)
+    clique_graph = csr_matrix( (data,(row,col)), shape=(n_clique,n_clique) )
+    junc_tree = minimum_spanning_tree(clique_graph)
+    row,col = junc_tree.nonzero()
+    edges = [(row[i],col[i]) for i in range(len(row))]
+    return (cliques, edges)
+
diff --git a/graphein/utils/utils.py b/graphein/utils/utils.py
index dd46e4c3d..65ad7e172 100644
--- a/graphein/utils/utils.py
+++ b/graphein/utils/utils.py
@@ -383,4 +383,4 @@ def ping(host: str) -> bool:
     # Building the command. Ex: "ping -c 1 google.com"
     command = ["ping", param, "1", host]
 
-    return subprocess.call(command) == 0
+    return subprocess.call(command) == 0
\ No newline at end of file
diff --git a/tests/molecule/test_graphs.py b/tests/molecule/test_graphs.py
index f978f6b00..4cd430116 100644
--- a/tests/molecule/test_graphs.py
+++ b/tests/molecule/test_graphs.py
@@ -1,12 +1,11 @@
 """Tests for molecular graph construction"""
-
 from pathlib import Path
 
 import networkx as nx
 import numpy as np
 
 from graphein.molecule.config import MoleculeGraphConfig
-from graphein.molecule.graphs import construct_graph
+from graphein.molecule.graphs import construct_graph, construct_junction_tree
 from graphein.utils.utils import import_message
 
 try:
@@ -139,3 +138,11 @@ def test_generate_graph_pdb():
         assert isinstance(
             d["bond"], rdkit.Chem.rdchem.Bond
         ), f"edge {u}-{v} does not have an RDKit bond associated with it."
+
+def test_generate_graph_smiles():
+    """Tests junction tree graph construction from a SMILES string."""
+    g = construct_junction_tree(smiles=SMILES)
+    assert g.graph["name"] == SMILES
+
+    # Check nodes
+    # TODO: checks for junction tree
diff --git a/tests/protein_ligand/test_data/1lds.pdb b/tests/protein_ligand/test_data/1lds.pdb
new file mode 100644
index 000000000..0053b93da
--- /dev/null
+++ b/tests/protein_ligand/test_data/1lds.pdb
@@ -0,0 +1,1264 @@
+HEADER    IMMUNE SYSTEM                           09-APR-02   1LDS              
+TITLE     CRYSTAL STRUCTURE OF MONOMERIC HUMAN BETA-2-MICROGLOBULIN             
+COMPND    MOL_ID: 1;                                                            
+COMPND   2 MOLECULE: BETA-2-MICROGLOBULIN;                                      
+COMPND   3 CHAIN: A;                                                            
+COMPND   4 ENGINEERED: YES                                                      
+SOURCE    MOL_ID: 1;                                                            
+SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
+SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
+SOURCE   4 ORGANISM_TAXID: 9606;                                                
+SOURCE   5 GENE: B2M;                                                           
+SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
+SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
+SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21DE3;                                   
+SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
+SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET23A;                                    
+SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PINKWT                                    
+KEYWDS    IMMUNOGLOBULIN CONSTANT DOMAIN, IMMUNE SYSTEM                         
+EXPDTA    X-RAY DIFFRACTION                                                     
+AUTHOR    C.H.TRINH,D.P.SMITH,A.P.KALVERDA,S.E.V.PHILLIPS,S.E.RADFORD           
+REVDAT   3   24-FEB-09 1LDS    1       VERSN                                    
+REVDAT   2   01-APR-03 1LDS    1       JRNL                                     
+REVDAT   1   31-JUL-02 1LDS    0                                                
+JRNL        AUTH   C.H.TRINH,D.P.SMITH,A.P.KALVERDA,S.E.PHILLIPS,               
+JRNL        AUTH 2 S.E.RADFORD                                                  
+JRNL        TITL   CRYSTAL STRUCTURE OF MONOMERIC HUMAN                         
+JRNL        TITL 2 BETA-2-MICROGLOBULIN REVEALS CLUES TO ITS                    
+JRNL        TITL 3 AMYLOIDOGENIC PROPERTIES.                                    
+JRNL        REF    PROC.NATL.ACAD.SCI.USA        V.  99  9771 2002              
+JRNL        REFN                   ISSN 0027-8424                               
+JRNL        PMID   12119416                                                     
+JRNL        DOI    10.1073/PNAS.152337399                                       
+REMARK   1                                                                      
+REMARK   2                                                                      
+REMARK   2 RESOLUTION.    1.80 ANGSTROMS.                                       
+REMARK   3                                                                      
+REMARK   3 REFINEMENT.                                                          
+REMARK   3   PROGRAM     : CNS 1.0                                              
+REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
+REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,             
+REMARK   3               : READ,RICE,SIMONSON,WARREN                            
+REMARK   3                                                                      
+REMARK   3  REFINEMENT TARGET : ENGH & HUBER                                    
+REMARK   3                                                                      
+REMARK   3  DATA USED IN REFINEMENT.                                            
+REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80                           
+REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 26.70                          
+REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
+REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
+REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
+REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 96.9                           
+REMARK   3   NUMBER OF REFLECTIONS             : 9565                           
+REMARK   3                                                                      
+REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
+REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
+REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
+REMARK   3   R VALUE            (WORKING SET) : 0.187                           
+REMARK   3   FREE R VALUE                     : 0.233                           
+REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
+REMARK   3   FREE R VALUE TEST SET COUNT      : 498                             
+REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
+REMARK   3                                                                      
+REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
+REMARK   3   TOTAL NUMBER OF BINS USED           : NULL                         
+REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.80                         
+REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.87                         
+REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
+REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
+REMARK   3   BIN R VALUE           (WORKING SET) : 0.2100                       
+REMARK   3   BIN FREE R VALUE                    : 0.2350                       
+REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
+REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 51                           
+REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
+REMARK   3                                                                      
+REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
+REMARK   3   PROTEIN ATOMS            : 809                                     
+REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
+REMARK   3   HETEROGEN ATOMS          : 1                                       
+REMARK   3   SOLVENT ATOMS            : 103                                     
+REMARK   3                                                                      
+REMARK   3  B VALUES.                                                           
+REMARK   3   FROM WILSON PLOT           (A**2) : 10.28                          
+REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
+REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
+REMARK   3    B11 (A**2) : 2.12500                                              
+REMARK   3    B22 (A**2) : -2.09500                                             
+REMARK   3    B33 (A**2) : -0.03000                                             
+REMARK   3    B12 (A**2) : 0.00000                                              
+REMARK   3    B13 (A**2) : -0.01700                                             
+REMARK   3    B23 (A**2) : 0.00000                                              
+REMARK   3                                                                      
+REMARK   3  ESTIMATED COORDINATE ERROR.                                         
+REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.18                            
+REMARK   3   ESD FROM SIGMAA              (A) : 0.23                            
+REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00                            
+REMARK   3                                                                      
+REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
+REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.06                            
+REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.11                            
+REMARK   3                                                                      
+REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
+REMARK   3   BOND LENGTHS                 (A) : 0.005                           
+REMARK   3   BOND ANGLES            (DEGREES) : 1.45                            
+REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 26.42                           
+REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.61                            
+REMARK   3                                                                      
+REMARK   3  ISOTROPIC THERMAL MODEL : ANISOTROPIC                               
+REMARK   3                                                                      
+REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
+REMARK   3   MAIN-CHAIN BOND              (A**2) : 4.827 ; NULL                 
+REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 5.479 ; NULL                 
+REMARK   3   SIDE-CHAIN BOND              (A**2) : 7.266 ; NULL                 
+REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 9.501 ; NULL                 
+REMARK   3                                                                      
+REMARK   3  BULK SOLVENT MODELING.                                              
+REMARK   3   METHOD USED : NULL                                                 
+REMARK   3   KSOL        : NULL                                                 
+REMARK   3   BSOL        : NULL                                                 
+REMARK   3                                                                      
+REMARK   3  NCS MODEL : NULL                                                    
+REMARK   3                                                                      
+REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
+REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
+REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
+REMARK   3                                                                      
+REMARK   3  PARAMETER FILE  1  : NULL                                           
+REMARK   3  TOPOLOGY FILE  1   : NULL                                           
+REMARK   3                                                                      
+REMARK   3  OTHER REFINEMENT REMARKS: MAXIMUM LIKELIHOOD TARGET USING           
+REMARK   3  AMPLITUDES AS IMPLEMENTED IN CNS                                    
+REMARK   4                                                                      
+REMARK   4 1LDS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
+REMARK 100                                                                      
+REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-APR-02.                  
+REMARK 100 THE RCSB ID CODE IS RCSB015863.                                      
+REMARK 200                                                                      
+REMARK 200 EXPERIMENTAL DETAILS                                                 
+REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
+REMARK 200  DATE OF DATA COLLECTION        : 25-JUN-01                          
+REMARK 200  TEMPERATURE           (KELVIN) : 100                                
+REMARK 200  PH                             : 5.7                                
+REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
+REMARK 200                                                                      
+REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
+REMARK 200  RADIATION SOURCE               : SRS                                
+REMARK 200  BEAMLINE                       : PX14.2                             
+REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
+REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
+REMARK 200  WAVELENGTH OR RANGE        (A) : 0.979                              
+REMARK 200  MONOCHROMATOR                  : SI (111)                           
+REMARK 200  OPTICS                         : NULL                               
+REMARK 200                                                                      
+REMARK 200  DETECTOR TYPE                  : CCD                                
+REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 4                     
+REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
+REMARK 200  DATA SCALING SOFTWARE          : CCP4 (SCALA)                       
+REMARK 200                                                                      
+REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 9604                               
+REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.800                              
+REMARK 200  RESOLUTION RANGE LOW       (A) : 26.700                             
+REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
+REMARK 200                                                                      
+REMARK 200 OVERALL.                                                             
+REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.9                               
+REMARK 200  DATA REDUNDANCY                : 3.700                              
+REMARK 200  R MERGE                    (I) : 0.04100                            
+REMARK 200  R SYM                      (I) : 0.03500                            
+REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 15.8000                            
+REMARK 200                                                                      
+REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
+REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80                     
+REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.90                     
+REMARK 200  COMPLETENESS FOR SHELL     (%) : 90.6                               
+REMARK 200  DATA REDUNDANCY IN SHELL       : 3.40                               
+REMARK 200  R MERGE FOR SHELL          (I) : 0.07300                            
+REMARK 200  R SYM FOR SHELL            (I) : 0.06200                            
+REMARK 200  <I/SIGMA(I)> FOR SHELL         : 9.600                              
+REMARK 200                                                                      
+REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
+REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
+REMARK 200 SOFTWARE USED: AMORE                                                 
+REMARK 200 STARTING MODEL: PDB ENTRY 1DUZ                                       
+REMARK 200                                                                      
+REMARK 200 REMARK: NULL                                                         
+REMARK 280                                                                      
+REMARK 280 CRYSTAL                                                              
+REMARK 280 SOLVENT CONTENT, VS   (%): 44.20                                     
+REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20                     
+REMARK 280                                                                      
+REMARK 280 CRYSTALLIZATION CONDITIONS: 4-8% (W/V) PEG4000, 20%                  
+REMARK 280  ISOPROPANOL, 100MM SODIUM CITRATE, PH 5.7, VAPOR DIFFUSION,         
+REMARK 280  SITTING DROP, TEMPERATURE 289K                                      
+REMARK 290                                                                      
+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
+REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1                          
+REMARK 290                                                                      
+REMARK 290      SYMOP   SYMMETRY                                                
+REMARK 290     NNNMMM   OPERATOR                                                
+REMARK 290       1555   X,Y,Z                                                   
+REMARK 290       2555   -X,Y,-Z                                                 
+REMARK 290       3555   X+1/2,Y+1/2,Z                                           
+REMARK 290       4555   -X+1/2,Y+1/2,-Z                                         
+REMARK 290                                                                      
+REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
+REMARK 290           MMM -> TRANSLATION VECTOR                                  
+REMARK 290                                                                      
+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
+REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
+REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
+REMARK 290 RELATED MOLECULES.                                                   
+REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
+REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
+REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000       38.71250            
+REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       14.54550            
+REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
+REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       38.71250            
+REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       14.54550            
+REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
+REMARK 290                                                                      
+REMARK 290 REMARK: NULL                                                         
+REMARK 300                                                                      
+REMARK 300 BIOMOLECULE: 1                                                       
+REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
+REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
+REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
+REMARK 300 BURIED SURFACE AREA.                                                 
+REMARK 350                                                                      
+REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
+REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
+REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
+REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
+REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
+REMARK 350                                                                      
+REMARK 350 BIOMOLECULE: 1                                                       
+REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
+REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
+REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
+REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
+REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
+REMARK 465                                                                      
+REMARK 465 MISSING RESIDUES                                                     
+REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
+REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
+REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
+REMARK 465                                                                      
+REMARK 465   M RES C SSSEQI                                                     
+REMARK 465     ARG A    97                                                      
+REMARK 465     ASP A    98                                                      
+REMARK 465     MET A    99                                                      
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: TORSION ANGLES                                             
+REMARK 500                                                                      
+REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
+REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
+REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
+REMARK 500                                                                      
+REMARK 500 STANDARD TABLE:                                                      
+REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
+REMARK 500                                                                      
+REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
+REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
+REMARK 500                                                                      
+REMARK 500  M RES CSSEQI        PSI       PHI                                   
+REMARK 500    ASN A  17       69.07   -150.48                                   
+REMARK 500    SER A  57      -85.61   -103.73                                   
+REMARK 500    GLU A  74       -5.78    -58.74                                   
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 620                                                                      
+REMARK 620 METAL COORDINATION                                                   
+REMARK 620  (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;              
+REMARK 620  SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                            
+REMARK 620                                                                      
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
+REMARK 620                              NA A 100  NA                            
+REMARK 620 N RES CSSEQI ATOM                                                    
+REMARK 620 1 HIS A  84   O                                                      
+REMARK 620 2 LEU A  87   O    86.1                                              
+REMARK 620 3 HOH A 138   O    94.7  80.7                                        
+REMARK 620 4 HOH A 123   O    85.0 170.4  96.5                                  
+REMARK 620 5 HOH A 203   O    86.4  83.7 164.3  99.2                            
+REMARK 620 6 HOH A 141   O   170.8  84.7  83.4 104.1  93.1                      
+REMARK 620 N                    1     2     3     4     5                       
+REMARK 800                                                                      
+REMARK 800 SITE                                                                 
+REMARK 800 SITE_IDENTIFIER: AC1                                                 
+REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 100                  
+REMARK 900                                                                      
+REMARK 900 RELATED ENTRIES                                                      
+REMARK 900 RELATED ID: 1DUZ   RELATED DB: PDB                                   
+REMARK 900 HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) IN             
+REMARK 900 COMPLEX WITH A NONAMERIC PEPTIDE FROM HTLV-1 TAX PROTEIN             
+DBREF  1LDS A    1    99  UNP    P61769   B2MG_HUMAN      21    119             
+SEQADV 1LDS MET A    0  UNP  P61769              INITIATING MET                 
+SEQRES   1 A  100  MET ILE GLN ARG THR PRO LYS ILE GLN VAL TYR SER ARG          
+SEQRES   2 A  100  HIS PRO ALA GLU ASN GLY LYS SER ASN PHE LEU ASN CYS          
+SEQRES   3 A  100  TYR VAL SER GLY PHE HIS PRO SER ASP ILE GLU VAL ASP          
+SEQRES   4 A  100  LEU LEU LYS ASN GLY GLU ARG ILE GLU LYS VAL GLU HIS          
+SEQRES   5 A  100  SER ASP LEU SER PHE SER LYS ASP TRP SER PHE TYR LEU          
+SEQRES   6 A  100  LEU TYR TYR THR GLU PHE THR PRO THR GLU LYS ASP GLU          
+SEQRES   7 A  100  TYR ALA CYS ARG VAL ASN HIS VAL THR LEU SER GLN PRO          
+SEQRES   8 A  100  LYS ILE VAL LYS TRP ASP ARG ASP MET                          
+HET     NA  A 100       1                                                       
+HETNAM      NA SODIUM ION                                                       
+FORMUL   2   NA    NA 1+                                                        
+FORMUL   3  HOH   *103(H2 O)                                                    
+HELIX    1   1 PRO A   14  GLY A   18  5                                   5    
+SHEET    1   A 4 LYS A   6  ARG A  12  0                                        
+SHEET    2   A 4 PHE A  22  PHE A  30 -1  O  ASN A  24   N  TYR A  10           
+SHEET    3   A 4 PHE A  62  GLU A  69 -1  O  LEU A  64   N  VAL A  27           
+SHEET    4   A 4 HIS A  51  PHE A  56 -1  N  SER A  55   O  TYR A  63           
+SHEET    1   B 4 GLU A  44  ARG A  45  0                                        
+SHEET    2   B 4 GLU A  36  LYS A  41 -1  N  LYS A  41   O  GLU A  44           
+SHEET    3   B 4 TYR A  78  ASN A  83 -1  O  ALA A  79   N  LEU A  40           
+SHEET    4   B 4 LYS A  91  LYS A  94 -1  O  LYS A  91   N  VAL A  82           
+SSBOND   1 CYS A   25    CYS A   80                          1555   1555  2.03  
+LINK        NA    NA A 100                 O   HIS A  84     1555   1555  2.35  
+LINK        NA    NA A 100                 O   LEU A  87     1555   1555  2.25  
+LINK        NA    NA A 100                 O   HOH A 138     1555   1555  2.39  
+LINK        NA    NA A 100                 O   HOH A 123     1555   1555  2.41  
+LINK        NA    NA A 100                 O   HOH A 203     1555   1555  2.17  
+LINK        NA    NA A 100                 O   HOH A 141     1555   1555  2.72  
+CISPEP   1 HIS A   31    PRO A   32          0         0.09                     
+SITE     1 AC1  7 ALA A  15  HIS A  84  LEU A  87  HOH A 123                    
+SITE     2 AC1  7 HOH A 138  HOH A 141  HOH A 203                               
+CRYST1   77.425   29.091   54.644  90.00 121.64  90.00 C 1 2 1       4          
+ORIGX1      1.000000  0.000000  0.000000        0.00000                         
+ORIGX2      0.000000  1.000000  0.000000        0.00000                         
+ORIGX3      0.000000  0.000000  1.000000        0.00000                         
+SCALE1      0.012916  0.000000  0.007958        0.00000                         
+SCALE2      0.000000  0.034375  0.000000        0.00000                         
+SCALE3      0.000000  0.000000  0.021495        0.00000                         
+ATOM      1  N   MET A   0      14.003  -8.253 -10.050  1.00  5.09           N  
+ATOM      2  CA  MET A   0      14.650  -7.671  -8.841  1.00  6.67           C  
+ATOM      3  C   MET A   0      15.800  -8.546  -8.377  1.00 12.68           C  
+ATOM      4  O   MET A   0      15.891  -9.719  -8.736  1.00  5.87           O  
+ATOM      5  CB  MET A   0      13.634  -7.534  -7.696  1.00 11.41           C  
+ATOM      6  CG  MET A   0      13.079  -8.852  -7.135  1.00 11.30           C  
+ATOM      7  SD  MET A   0      14.188  -9.791  -6.025  1.00 10.13           S  
+ATOM      8  CE  MET A   0      13.958  -8.900  -4.484  1.00 14.90           C  
+ATOM      9  N   ILE A   1      16.684  -7.962  -7.582  1.00  8.98           N  
+ATOM     10  CA  ILE A   1      17.803  -8.707  -7.032  1.00  9.20           C  
+ATOM     11  C   ILE A   1      18.180  -8.089  -5.696  1.00  7.90           C  
+ATOM     12  O   ILE A   1      18.109  -6.873  -5.519  1.00  6.02           O  
+ATOM     13  CB  ILE A   1      19.036  -8.681  -7.971  1.00  6.03           C  
+ATOM     14  CG1 ILE A   1      20.099  -9.653  -7.452  1.00 11.88           C  
+ATOM     15  CG2 ILE A   1      19.613  -7.275  -8.049  1.00  9.54           C  
+ATOM     16  CD1 ILE A   1      21.271  -9.857  -8.397  1.00 18.94           C  
+ATOM     17  N   GLN A   2      18.532  -8.932  -4.737  1.00  2.02           N  
+ATOM     18  CA  GLN A   2      18.963  -8.432  -3.443  1.00  3.60           C  
+ATOM     19  C   GLN A   2      20.179  -9.236  -3.028  1.00  6.70           C  
+ATOM     20  O   GLN A   2      20.237 -10.455  -3.217  1.00  4.11           O  
+ATOM     21  CB  GLN A   2      17.846  -8.511  -2.395  1.00  5.72           C  
+ATOM     22  CG  GLN A   2      17.176  -9.856  -2.228  1.00  5.03           C  
+ATOM     23  CD  GLN A   2      15.974  -9.762  -1.307  1.00 13.57           C  
+ATOM     24  OE1 GLN A   2      15.234  -8.775  -1.339  1.00  9.05           O  
+ATOM     25  NE2 GLN A   2      15.764 -10.788  -0.492  1.00  5.72           N  
+ATOM     26  N   ARG A   3      21.168  -8.529  -2.498  1.00  4.85           N  
+ATOM     27  CA  ARG A   3      22.415  -9.140  -2.074  1.00  4.56           C  
+ATOM     28  C   ARG A   3      22.789  -8.617  -0.702  1.00  6.67           C  
+ATOM     29  O   ARG A   3      22.768  -7.407  -0.464  1.00  4.84           O  
+ATOM     30  CB  ARG A   3      23.525  -8.797  -3.068  1.00  2.94           C  
+ATOM     31  CG  ARG A   3      23.373  -9.451  -4.433  1.00  9.10           C  
+ATOM     32  CD  ARG A   3      23.927 -10.871  -4.411  1.00 25.83           C  
+ATOM     33  NE  ARG A   3      23.755 -11.559  -5.688  1.00 34.70           N  
+ATOM     34  CZ  ARG A   3      22.621 -12.126  -6.086  1.00 49.71           C  
+ATOM     35  NH1 ARG A   3      21.551 -12.092  -5.304  1.00 17.27           N  
+ATOM     36  NH2 ARG A   3      22.556 -12.728  -7.267  1.00 46.57           N  
+ATOM     37  N   THR A   4      23.119  -9.532   0.200  1.00  2.21           N  
+ATOM     38  CA  THR A   4      23.507  -9.154   1.550  1.00  5.05           C  
+ATOM     39  C   THR A   4      24.901  -8.527   1.496  1.00  5.01           C  
+ATOM     40  O   THR A   4      25.794  -9.018   0.804  1.00  3.01           O  
+ATOM     41  CB  THR A   4      23.519 -10.381   2.494  1.00 14.23           C  
+ATOM     42  OG1 THR A   4      23.796  -9.951   3.832  1.00 22.36           O  
+ATOM     43  CG2 THR A   4      24.575 -11.382   2.063  1.00 27.74           C  
+ATOM     44  N   PRO A   5      25.107  -7.426   2.225  1.00  1.97           N  
+ATOM     45  CA  PRO A   5      26.426  -6.794   2.192  1.00  6.40           C  
+ATOM     46  C   PRO A   5      27.532  -7.552   2.917  1.00  8.24           C  
+ATOM     47  O   PRO A   5      27.284  -8.236   3.912  1.00  7.61           O  
+ATOM     48  CB  PRO A   5      26.164  -5.432   2.834  1.00  8.26           C  
+ATOM     49  CG  PRO A   5      25.080  -5.734   3.823  1.00 12.08           C  
+ATOM     50  CD  PRO A   5      24.157  -6.629   3.023  1.00  6.41           C  
+ATOM     51  N   LYS A   6      28.749  -7.445   2.392  1.00  6.93           N  
+ATOM     52  CA  LYS A   6      29.902  -8.041   3.044  1.00  4.70           C  
+ATOM     53  C   LYS A   6      30.295  -6.894   3.974  1.00  6.41           C  
+ATOM     54  O   LYS A   6      30.212  -5.729   3.580  1.00  7.65           O  
+ATOM     55  CB  LYS A   6      31.023  -8.312   2.043  1.00 12.00           C  
+ATOM     56  CG  LYS A   6      32.255  -8.944   2.666  1.00 22.05           C  
+ATOM     57  CD  LYS A   6      33.317  -9.239   1.620  1.00 32.03           C  
+ATOM     58  CE  LYS A   6      34.503  -9.966   2.230  1.00 32.04           C  
+ATOM     59  NZ  LYS A   6      35.533 -10.293   1.204  1.00 46.88           N  
+ATOM     60  N   ILE A   7      30.706  -7.210   5.196  1.00  4.34           N  
+ATOM     61  CA  ILE A   7      31.067  -6.173   6.162  1.00  1.88           C  
+ATOM     62  C   ILE A   7      32.452  -6.416   6.753  1.00  5.24           C  
+ATOM     63  O   ILE A   7      32.716  -7.476   7.317  1.00  6.69           O  
+ATOM     64  CB  ILE A   7      30.034  -6.132   7.310  1.00  4.76           C  
+ATOM     65  CG1 ILE A   7      28.628  -5.930   6.735  1.00  6.32           C  
+ATOM     66  CG2 ILE A   7      30.381  -5.015   8.294  1.00 11.51           C  
+ATOM     67  CD1 ILE A   7      27.509  -6.191   7.732  1.00  4.95           C  
+ATOM     68  N   GLN A   8      33.334  -5.431   6.621  1.00  4.37           N  
+ATOM     69  CA  GLN A   8      34.688  -5.549   7.149  1.00  5.13           C  
+ATOM     70  C   GLN A   8      35.017  -4.327   7.994  1.00  7.32           C  
+ATOM     71  O   GLN A   8      34.800  -3.189   7.571  1.00  5.46           O  
+ATOM     72  CB  GLN A   8      35.688  -5.684   6.002  1.00  9.94           C  
+ATOM     73  CG  GLN A   8      35.350  -6.823   5.048  1.00  8.18           C  
+ATOM     74  CD  GLN A   8      36.251  -6.850   3.836  1.00 13.13           C  
+ATOM     75  OE1 GLN A   8      37.250  -7.572   3.803  1.00 15.63           O  
+ATOM     76  NE2 GLN A   8      35.913  -6.050   2.835  1.00  6.85           N  
+ATOM     77  N   VAL A   9      35.537  -4.576   9.192  1.00  3.97           N  
+ATOM     78  CA  VAL A   9      35.887  -3.508  10.125  1.00  4.60           C  
+ATOM     79  C   VAL A   9      37.386  -3.557  10.386  1.00  6.40           C  
+ATOM     80  O   VAL A   9      37.929  -4.588  10.779  1.00  7.54           O  
+ATOM     81  CB  VAL A   9      35.115  -3.675  11.443  1.00  2.56           C  
+ATOM     82  CG1 VAL A   9      35.305  -2.460  12.327  1.00  5.44           C  
+ATOM     83  CG2 VAL A   9      33.637  -3.889  11.142  1.00 10.30           C  
+ATOM     84  N   TYR A  10      38.053  -2.435  10.159  1.00  5.14           N  
+ATOM     85  CA  TYR A  10      39.499  -2.369  10.334  1.00  6.13           C  
+ATOM     86  C   TYR A  10      39.923  -0.945  10.651  1.00  4.18           C  
+ATOM     87  O   TYR A  10      39.119  -0.019  10.580  1.00  4.17           O  
+ATOM     88  CB  TYR A  10      40.196  -2.829   9.050  1.00  1.00           C  
+ATOM     89  CG  TYR A  10      39.696  -2.114   7.808  1.00  6.60           C  
+ATOM     90  CD1 TYR A  10      38.513  -2.507   7.183  1.00  8.01           C  
+ATOM     91  CD2 TYR A  10      40.392  -1.029   7.275  1.00  6.17           C  
+ATOM     92  CE1 TYR A  10      38.033  -1.838   6.056  1.00 12.92           C  
+ATOM     93  CE2 TYR A  10      39.919  -0.350   6.147  1.00  9.78           C  
+ATOM     94  CZ  TYR A  10      38.740  -0.763   5.544  1.00 15.25           C  
+ATOM     95  OH  TYR A  10      38.271  -0.109   4.428  1.00  9.94           O  
+ATOM     96  N   SER A  11      41.191  -0.775  11.007  1.00  7.39           N  
+ATOM     97  CA  SER A  11      41.710   0.548  11.319  1.00  9.46           C  
+ATOM     98  C   SER A  11      42.847   0.886  10.356  1.00  9.77           C  
+ATOM     99  O   SER A  11      43.539  -0.007   9.861  1.00  6.83           O  
+ATOM    100  CB  SER A  11      42.206   0.598  12.769  1.00  7.59           C  
+ATOM    101  OG  SER A  11      43.264  -0.317  12.976  1.00  8.88           O  
+ATOM    102  N   ARG A  12      43.023   2.176  10.085  1.00  4.95           N  
+ATOM    103  CA  ARG A  12      44.072   2.645   9.183  1.00  6.18           C  
+ATOM    104  C   ARG A  12      44.652   3.979   9.646  1.00  6.07           C  
+ATOM    105  O   ARG A  12      43.930   4.838  10.150  1.00  6.60           O  
+ATOM    106  CB  ARG A  12      43.513   2.826   7.767  1.00  5.71           C  
+ATOM    107  CG  ARG A  12      43.024   1.551   7.100  1.00  4.47           C  
+ATOM    108  CD  ARG A  12      44.174   0.731   6.543  1.00  6.11           C  
+ATOM    109  NE  ARG A  12      43.696  -0.424   5.787  1.00  8.26           N  
+ATOM    110  CZ  ARG A  12      43.437  -1.620   6.310  1.00  9.54           C  
+ATOM    111  NH1 ARG A  12      43.610  -1.841   7.607  1.00  8.16           N  
+ATOM    112  NH2 ARG A  12      43.002  -2.599   5.528  1.00 11.79           N  
+ATOM    113  N   HIS A  13      45.958   4.136   9.454  1.00  4.04           N  
+ATOM    114  CA  HIS A  13      46.677   5.359   9.801  1.00  6.70           C  
+ATOM    115  C   HIS A  13      47.051   6.033   8.483  1.00  5.07           C  
+ATOM    116  O   HIS A  13      47.717   5.425   7.647  1.00  7.55           O  
+ATOM    117  CB  HIS A  13      47.987   5.041  10.533  1.00  2.75           C  
+ATOM    118  CG  HIS A  13      47.809   4.340  11.842  1.00  6.07           C  
+ATOM    119  ND1 HIS A  13      47.484   5.005  13.005  1.00 12.03           N  
+ATOM    120  CD2 HIS A  13      47.945   3.036  12.180  1.00 10.08           C  
+ATOM    121  CE1 HIS A  13      47.432   4.142  14.003  1.00 11.54           C  
+ATOM    122  NE2 HIS A  13      47.707   2.940  13.529  1.00  7.25           N  
+ATOM    123  N   PRO A  14      46.616   7.285   8.266  1.00  5.98           N  
+ATOM    124  CA  PRO A  14      46.989   7.932   7.003  1.00 12.71           C  
+ATOM    125  C   PRO A  14      48.507   8.111   7.000  1.00 11.60           C  
+ATOM    126  O   PRO A  14      49.076   8.608   7.969  1.00 13.01           O  
+ATOM    127  CB  PRO A  14      46.230   9.258   7.056  1.00 12.82           C  
+ATOM    128  CG  PRO A  14      46.136   9.538   8.523  1.00 12.78           C  
+ATOM    129  CD  PRO A  14      45.800   8.182   9.101  1.00 11.54           C  
+ATOM    130  N   ALA A  15      49.160   7.695   5.918  1.00  5.64           N  
+ATOM    131  CA  ALA A  15      50.612   7.782   5.826  1.00  5.70           C  
+ATOM    132  C   ALA A  15      51.166   9.190   6.026  1.00  7.90           C  
+ATOM    133  O   ALA A  15      52.269   9.351   6.539  1.00  7.39           O  
+ATOM    134  CB  ALA A  15      51.084   7.227   4.487  1.00 12.69           C  
+ATOM    135  N   GLU A  16      50.403  10.201   5.620  1.00 12.94           N  
+ATOM    136  CA  GLU A  16      50.842  11.589   5.761  1.00 14.01           C  
+ATOM    137  C   GLU A  16      50.694  12.107   7.191  1.00 23.94           C  
+ATOM    138  O   GLU A  16      51.208  13.174   7.530  1.00 21.36           O  
+ATOM    139  CB  GLU A  16      50.053  12.493   4.808  1.00 19.19           C  
+ATOM    140  CG  GLU A  16      50.334  12.236   3.334  1.00 30.03           C  
+ATOM    141  CD  GLU A  16      49.565  13.172   2.418  1.00 58.54           C  
+ATOM    142  OE1 GLU A  16      49.778  13.111   1.188  1.00 59.53           O  
+ATOM    143  OE2 GLU A  16      48.748  13.968   2.926  1.00 62.60           O  
+ATOM    144  N   ASN A  17      49.993  11.347   8.026  1.00 15.27           N  
+ATOM    145  CA  ASN A  17      49.772  11.728   9.418  1.00 18.99           C  
+ATOM    146  C   ASN A  17      49.632  10.450  10.243  1.00 12.16           C  
+ATOM    147  O   ASN A  17      48.553  10.133  10.743  1.00 15.09           O  
+ATOM    148  CB  ASN A  17      48.501  12.572   9.524  1.00 19.27           C  
+ATOM    149  CG  ASN A  17      48.343  13.228  10.881  1.00 38.87           C  
+ATOM    150  OD1 ASN A  17      47.361  13.927  11.132  1.00 35.08           O  
+ATOM    151  ND2 ASN A  17      49.310  13.009  11.764  1.00 35.04           N  
+ATOM    152  N   GLY A  18      50.742   9.730  10.375  1.00 12.96           N  
+ATOM    153  CA  GLY A  18      50.767   8.468  11.097  1.00 10.52           C  
+ATOM    154  C   GLY A  18      50.160   8.392  12.484  1.00 21.05           C  
+ATOM    155  O   GLY A  18      49.694   7.325  12.889  1.00 12.95           O  
+ATOM    156  N   LYS A  19      50.167   9.499  13.221  1.00 12.38           N  
+ATOM    157  CA  LYS A  19      49.608   9.504  14.571  1.00 19.16           C  
+ATOM    158  C   LYS A  19      48.097   9.315  14.553  1.00 20.22           C  
+ATOM    159  O   LYS A  19      47.524   8.747  15.483  1.00 22.51           O  
+ATOM    160  CB  LYS A  19      49.950  10.812  15.291  1.00 16.70           C  
+ATOM    161  CG  LYS A  19      51.433  11.009  15.556  1.00 31.22           C  
+ATOM    162  CD  LYS A  19      51.684  12.324  16.282  1.00 59.25           C  
+ATOM    163  CE  LYS A  19      53.162  12.530  16.572  1.00 64.99           C  
+ATOM    164  NZ  LYS A  19      53.413  13.814  17.285  1.00 63.32           N  
+ATOM    165  N   SER A  20      47.454   9.796  13.493  1.00 11.40           N  
+ATOM    166  CA  SER A  20      46.008   9.672  13.359  1.00  6.65           C  
+ATOM    167  C   SER A  20      45.618   8.230  13.051  1.00 10.43           C  
+ATOM    168  O   SER A  20      46.307   7.539  12.302  1.00 11.75           O  
+ATOM    169  CB  SER A  20      45.496  10.588  12.245  1.00 15.33           C  
+ATOM    170  OG  SER A  20      45.703  11.948  12.577  1.00 36.09           O  
+ATOM    171  N   ASN A  21      44.508   7.792  13.634  1.00  8.97           N  
+ATOM    172  CA  ASN A  21      44.007   6.435  13.441  1.00  8.00           C  
+ATOM    173  C   ASN A  21      42.528   6.542  13.082  1.00  8.67           C  
+ATOM    174  O   ASN A  21      41.788   7.306  13.702  1.00  7.57           O  
+ATOM    175  CB  ASN A  21      44.178   5.638  14.736  1.00 10.57           C  
+ATOM    176  CG  ASN A  21      44.167   4.139  14.511  1.00 13.49           C  
+ATOM    177  OD1 ASN A  21      43.973   3.660  13.391  1.00  8.43           O  
+ATOM    178  ND2 ASN A  21      44.379   3.388  15.585  1.00  9.04           N  
+ATOM    179  N   PHE A  22      42.101   5.783  12.078  1.00  6.04           N  
+ATOM    180  CA  PHE A  22      40.711   5.815  11.643  1.00  7.04           C  
+ATOM    181  C   PHE A  22      40.033   4.455  11.702  1.00  3.00           C  
+ATOM    182  O   PHE A  22      40.598   3.445  11.279  1.00  5.44           O  
+ATOM    183  CB  PHE A  22      40.612   6.355  10.212  1.00  7.91           C  
+ATOM    184  CG  PHE A  22      40.952   7.815  10.088  1.00  8.60           C  
+ATOM    185  CD1 PHE A  22      42.255   8.261  10.290  1.00 16.28           C  
+ATOM    186  CD2 PHE A  22      39.964   8.745   9.779  1.00 10.20           C  
+ATOM    187  CE1 PHE A  22      42.571   9.615  10.185  1.00 19.03           C  
+ATOM    188  CE2 PHE A  22      40.268  10.101   9.673  1.00 12.26           C  
+ATOM    189  CZ  PHE A  22      41.575  10.537   9.876  1.00 14.52           C  
+ATOM    190  N   LEU A  23      38.817   4.445  12.236  1.00  6.48           N  
+ATOM    191  CA  LEU A  23      38.024   3.226  12.335  1.00  4.75           C  
+ATOM    192  C   LEU A  23      37.188   3.167  11.063  1.00  1.86           C  
+ATOM    193  O   LEU A  23      36.453   4.108  10.754  1.00  4.54           O  
+ATOM    194  CB  LEU A  23      37.112   3.280  13.561  1.00  6.12           C  
+ATOM    195  CG  LEU A  23      36.174   2.085  13.756  1.00  4.68           C  
+ATOM    196  CD1 LEU A  23      36.981   0.789  13.853  1.00  7.65           C  
+ATOM    197  CD2 LEU A  23      35.346   2.305  15.015  1.00  5.62           C  
+ATOM    198  N   ASN A  24      37.298   2.053  10.344  1.00  4.19           N  
+ATOM    199  CA  ASN A  24      36.600   1.859   9.076  1.00  6.68           C  
+ATOM    200  C   ASN A  24      35.612   0.704   9.050  1.00  3.97           C  
+ATOM    201  O   ASN A  24      35.865  -0.359   9.619  1.00  5.77           O  
+ATOM    202  CB  ASN A  24      37.612   1.589   7.956  1.00  7.29           C  
+ATOM    203  CG  ASN A  24      38.534   2.758   7.692  1.00  8.10           C  
+ATOM    204  OD1 ASN A  24      38.291   3.562   6.796  1.00 11.48           O  
+ATOM    205  ND2 ASN A  24      39.603   2.856   8.472  1.00  9.88           N  
+ATOM    206  N   CYS A  25      34.491   0.928   8.374  1.00  4.36           N  
+ATOM    207  CA  CYS A  25      33.486  -0.105   8.179  1.00  3.54           C  
+ATOM    208  C   CYS A  25      33.217  -0.101   6.684  1.00  7.24           C  
+ATOM    209  O   CYS A  25      32.603   0.831   6.160  1.00  7.80           O  
+ATOM    210  CB  CYS A  25      32.180   0.196   8.910  1.00  3.68           C  
+ATOM    211  SG  CYS A  25      31.013  -1.193   8.719  1.00  9.03           S  
+ATOM    212  N   TYR A  26      33.699  -1.129   5.996  1.00  2.86           N  
+ATOM    213  CA  TYR A  26      33.500  -1.233   4.562  1.00  3.52           C  
+ATOM    214  C   TYR A  26      32.368  -2.210   4.308  1.00  2.81           C  
+ATOM    215  O   TYR A  26      32.488  -3.398   4.599  1.00  4.50           O  
+ATOM    216  CB  TYR A  26      34.787  -1.713   3.887  1.00  2.87           C  
+ATOM    217  CG  TYR A  26      34.710  -1.796   2.384  1.00  6.30           C  
+ATOM    218  CD1 TYR A  26      34.150  -0.762   1.636  1.00  9.14           C  
+ATOM    219  CD2 TYR A  26      35.235  -2.896   1.702  1.00  6.28           C  
+ATOM    220  CE1 TYR A  26      34.115  -0.817   0.242  1.00 10.15           C  
+ATOM    221  CE2 TYR A  26      35.206  -2.960   0.309  1.00 10.27           C  
+ATOM    222  CZ  TYR A  26      34.647  -1.918  -0.412  1.00 16.27           C  
+ATOM    223  OH  TYR A  26      34.630  -1.970  -1.787  1.00 11.35           O  
+ATOM    224  N   VAL A  27      31.263  -1.690   3.778  1.00  2.53           N  
+ATOM    225  CA  VAL A  27      30.069  -2.484   3.480  1.00  1.00           C  
+ATOM    226  C   VAL A  27      30.013  -2.590   1.960  1.00  6.29           C  
+ATOM    227  O   VAL A  27      29.782  -1.598   1.272  1.00  4.64           O  
+ATOM    228  CB  VAL A  27      28.824  -1.771   4.032  1.00  3.85           C  
+ATOM    229  CG1 VAL A  27      27.589  -2.643   3.861  1.00  5.98           C  
+ATOM    230  CG2 VAL A  27      29.045  -1.442   5.499  1.00  6.42           C  
+ATOM    231  N   SER A  28      30.202  -3.799   1.438  1.00  7.30           N  
+ATOM    232  CA  SER A  28      30.285  -3.969  -0.006  1.00  5.33           C  
+ATOM    233  C   SER A  28      29.359  -4.938  -0.723  1.00  6.31           C  
+ATOM    234  O   SER A  28      28.902  -5.929  -0.154  1.00  5.47           O  
+ATOM    235  CB  SER A  28      31.722  -4.352  -0.352  1.00  8.45           C  
+ATOM    236  OG  SER A  28      32.078  -5.547   0.335  1.00  7.42           O  
+ATOM    237  N   GLY A  29      29.131  -4.630  -1.999  1.00  4.91           N  
+ATOM    238  CA  GLY A  29      28.313  -5.448  -2.879  1.00  4.59           C  
+ATOM    239  C   GLY A  29      26.865  -5.674  -2.505  1.00  7.77           C  
+ATOM    240  O   GLY A  29      26.304  -6.717  -2.833  1.00 11.51           O  
+ATOM    241  N   PHE A  30      26.239  -4.705  -1.847  1.00  3.38           N  
+ATOM    242  CA  PHE A  30      24.852  -4.887  -1.442  1.00  2.53           C  
+ATOM    243  C   PHE A  30      23.818  -4.271  -2.379  1.00 10.78           C  
+ATOM    244  O   PHE A  30      24.132  -3.397  -3.186  1.00  5.84           O  
+ATOM    245  CB  PHE A  30      24.638  -4.344  -0.023  1.00  5.77           C  
+ATOM    246  CG  PHE A  30      24.920  -2.869   0.126  1.00  4.24           C  
+ATOM    247  CD1 PHE A  30      26.220  -2.406   0.330  1.00  2.86           C  
+ATOM    248  CD2 PHE A  30      23.880  -1.947   0.084  1.00  5.94           C  
+ATOM    249  CE1 PHE A  30      26.474  -1.039   0.497  1.00  4.07           C  
+ATOM    250  CE2 PHE A  30      24.122  -0.582   0.249  1.00  1.81           C  
+ATOM    251  CZ  PHE A  30      25.419  -0.129   0.456  1.00  2.57           C  
+ATOM    252  N   HIS A  31      22.585  -4.760  -2.260  1.00  4.68           N  
+ATOM    253  CA  HIS A  31      21.440  -4.282  -3.032  1.00  2.85           C  
+ATOM    254  C   HIS A  31      20.183  -4.819  -2.349  1.00  2.70           C  
+ATOM    255  O   HIS A  31      20.151  -5.977  -1.922  1.00  3.31           O  
+ATOM    256  CB  HIS A  31      21.502  -4.782  -4.483  1.00  4.13           C  
+ATOM    257  CG  HIS A  31      20.617  -4.018  -5.419  1.00  5.32           C  
+ATOM    258  ND1 HIS A  31      19.354  -4.444  -5.773  1.00  6.01           N  
+ATOM    259  CD2 HIS A  31      20.793  -2.821  -6.029  1.00 10.04           C  
+ATOM    260  CE1 HIS A  31      18.791  -3.543  -6.560  1.00 16.44           C  
+ATOM    261  NE2 HIS A  31      19.644  -2.548  -6.730  1.00 14.29           N  
+ATOM    262  N   PRO A  32      19.132  -3.987  -2.221  1.00  4.15           N  
+ATOM    263  CA  PRO A  32      19.046  -2.591  -2.672  1.00  1.07           C  
+ATOM    264  C   PRO A  32      19.985  -1.678  -1.893  1.00  4.50           C  
+ATOM    265  O   PRO A  32      20.607  -2.104  -0.926  1.00  4.79           O  
+ATOM    266  CB  PRO A  32      17.576  -2.248  -2.449  1.00  2.62           C  
+ATOM    267  CG  PRO A  32      17.224  -3.078  -1.252  1.00 11.51           C  
+ATOM    268  CD  PRO A  32      17.873  -4.405  -1.580  1.00 12.35           C  
+ATOM    269  N   SER A  33      20.070  -0.419  -2.316  1.00  5.38           N  
+ATOM    270  CA  SER A  33      20.953   0.551  -1.677  1.00  4.80           C  
+ATOM    271  C   SER A  33      20.506   1.011  -0.287  1.00  1.28           C  
+ATOM    272  O   SER A  33      21.337   1.462   0.502  1.00  5.58           O  
+ATOM    273  CB  SER A  33      21.124   1.770  -2.588  1.00  1.00           C  
+ATOM    274  OG  SER A  33      19.873   2.398  -2.796  1.00  5.72           O  
+ATOM    275  N   ASP A  34      19.209   0.918   0.011  1.00  1.00           N  
+ATOM    276  CA  ASP A  34      18.706   1.317   1.330  1.00  1.33           C  
+ATOM    277  C   ASP A  34      19.517   0.597   2.400  1.00  4.71           C  
+ATOM    278  O   ASP A  34      19.657  -0.623   2.362  1.00  3.90           O  
+ATOM    279  CB  ASP A  34      17.237   0.934   1.504  1.00  3.64           C  
+ATOM    280  CG  ASP A  34      16.322   1.680   0.564  1.00 10.10           C  
+ATOM    281  OD1 ASP A  34      16.564   1.643  -0.660  1.00 34.23           O  
+ATOM    282  OD2 ASP A  34      15.352   2.290   1.057  1.00 12.60           O  
+ATOM    283  N   ILE A  35      20.036   1.340   3.369  1.00  2.93           N  
+ATOM    284  CA  ILE A  35      20.833   0.703   4.405  1.00  3.48           C  
+ATOM    285  C   ILE A  35      21.054   1.647   5.583  1.00  5.41           C  
+ATOM    286  O   ILE A  35      20.914   2.858   5.453  1.00  3.79           O  
+ATOM    287  CB  ILE A  35      22.197   0.252   3.812  1.00  1.84           C  
+ATOM    288  CG1 ILE A  35      22.831  -0.827   4.690  1.00  2.27           C  
+ATOM    289  CG2 ILE A  35      23.133   1.452   3.663  1.00  5.07           C  
+ATOM    290  CD1 ILE A  35      24.018  -1.518   4.029  1.00  5.70           C  
+ATOM    291  N   GLU A  36      21.363   1.073   6.739  1.00  4.67           N  
+ATOM    292  CA  GLU A  36      21.638   1.846   7.942  1.00  8.88           C  
+ATOM    293  C   GLU A  36      22.937   1.275   8.489  1.00  8.06           C  
+ATOM    294  O   GLU A  36      23.059   0.065   8.677  1.00  5.17           O  
+ATOM    295  CB  GLU A  36      20.507   1.689   8.962  1.00  2.69           C  
+ATOM    296  CG  GLU A  36      20.787   2.356  10.301  1.00  8.02           C  
+ATOM    297  CD  GLU A  36      19.594   2.310  11.233  1.00 17.36           C  
+ATOM    298  OE1 GLU A  36      18.883   1.284  11.238  1.00 15.29           O  
+ATOM    299  OE2 GLU A  36      19.372   3.294  11.966  1.00 14.36           O  
+ATOM    300  N   VAL A  37      23.914   2.143   8.728  1.00  3.70           N  
+ATOM    301  CA  VAL A  37      25.210   1.697   9.218  1.00  3.23           C  
+ATOM    302  C   VAL A  37      25.706   2.586  10.338  1.00  7.35           C  
+ATOM    303  O   VAL A  37      25.658   3.808  10.235  1.00  5.44           O  
+ATOM    304  CB  VAL A  37      26.262   1.712   8.090  1.00  1.00           C  
+ATOM    305  CG1 VAL A  37      27.616   1.251   8.628  1.00  5.71           C  
+ATOM    306  CG2 VAL A  37      25.803   0.819   6.943  1.00  4.93           C  
+ATOM    307  N   ASP A  38      26.191   1.962  11.404  1.00  4.65           N  
+ATOM    308  CA  ASP A  38      26.711   2.699  12.548  1.00  7.24           C  
+ATOM    309  C   ASP A  38      27.997   2.088  13.059  1.00  9.24           C  
+ATOM    310  O   ASP A  38      28.201   0.878  12.974  1.00  7.97           O  
+ATOM    311  CB  ASP A  38      25.707   2.695  13.704  1.00  6.08           C  
+ATOM    312  CG  ASP A  38      24.557   3.651  13.485  1.00 11.53           C  
+ATOM    313  OD1 ASP A  38      24.806   4.872  13.410  1.00 12.77           O  
+ATOM    314  OD2 ASP A  38      23.407   3.178  13.394  1.00 12.49           O  
+ATOM    315  N   LEU A  39      28.876   2.941  13.569  1.00  3.87           N  
+ATOM    316  CA  LEU A  39      30.106   2.470  14.179  1.00  3.85           C  
+ATOM    317  C   LEU A  39      29.710   2.491  15.649  1.00 11.34           C  
+ATOM    318  O   LEU A  39      28.949   3.363  16.067  1.00  7.55           O  
+ATOM    319  CB  LEU A  39      31.260   3.442  13.928  1.00  2.31           C  
+ATOM    320  CG  LEU A  39      31.770   3.519  12.487  1.00  9.10           C  
+ATOM    321  CD1 LEU A  39      32.958   4.456  12.413  1.00  7.16           C  
+ATOM    322  CD2 LEU A  39      32.174   2.130  12.023  1.00  6.21           C  
+ATOM    323  N   LEU A  40      30.201   1.528  16.421  1.00  6.03           N  
+ATOM    324  CA  LEU A  40      29.875   1.450  17.837  1.00 11.60           C  
+ATOM    325  C   LEU A  40      31.122   1.465  18.699  1.00 10.58           C  
+ATOM    326  O   LEU A  40      32.181   0.990  18.291  1.00  8.71           O  
+ATOM    327  CB  LEU A  40      29.109   0.158  18.145  1.00  7.69           C  
+ATOM    328  CG  LEU A  40      27.867  -0.211  17.330  1.00  6.51           C  
+ATOM    329  CD1 LEU A  40      27.324  -1.540  17.829  1.00 14.34           C  
+ATOM    330  CD2 LEU A  40      26.812   0.869  17.448  1.00  8.69           C  
+ATOM    331  N   LYS A  41      30.981   2.028  19.893  1.00  9.68           N  
+ATOM    332  CA  LYS A  41      32.059   2.065  20.869  1.00 11.38           C  
+ATOM    333  C   LYS A  41      31.414   1.542  22.142  1.00  8.80           C  
+ATOM    334  O   LYS A  41      30.535   2.192  22.712  1.00 11.20           O  
+ATOM    335  CB  LYS A  41      32.569   3.484  21.103  1.00 12.19           C  
+ATOM    336  CG  LYS A  41      33.722   3.522  22.103  1.00 14.14           C  
+ATOM    337  CD  LYS A  41      34.180   4.932  22.406  1.00 12.18           C  
+ATOM    338  CE  LYS A  41      35.291   4.914  23.444  1.00 29.29           C  
+ATOM    339  NZ  LYS A  41      35.703   6.283  23.853  1.00 25.27           N  
+ATOM    340  N   ASN A  42      31.837   0.359  22.567  1.00 11.90           N  
+ATOM    341  CA  ASN A  42      31.284  -0.268  23.759  1.00 18.03           C  
+ATOM    342  C   ASN A  42      29.760  -0.353  23.672  1.00 27.79           C  
+ATOM    343  O   ASN A  42      29.051  -0.056  24.636  1.00 27.23           O  
+ATOM    344  CB  ASN A  42      31.706   0.506  25.012  1.00 25.83           C  
+ATOM    345  CG  ASN A  42      33.214   0.577  25.168  1.00 18.31           C  
+ATOM    346  OD1 ASN A  42      33.908  -0.431  25.044  1.00 18.76           O  
+ATOM    347  ND2 ASN A  42      33.729   1.772  25.443  1.00 21.84           N  
+ATOM    348  N   GLY A  43      29.267  -0.751  22.501  1.00 25.21           N  
+ATOM    349  CA  GLY A  43      27.835  -0.895  22.295  1.00 23.86           C  
+ATOM    350  C   GLY A  43      27.056   0.380  22.036  1.00 20.96           C  
+ATOM    351  O   GLY A  43      25.876   0.325  21.688  1.00 25.63           O  
+ATOM    352  N   GLU A  44      27.706   1.526  22.206  1.00 13.88           N  
+ATOM    353  CA  GLU A  44      27.065   2.818  21.995  1.00 14.99           C  
+ATOM    354  C   GLU A  44      27.344   3.345  20.593  1.00 15.66           C  
+ATOM    355  O   GLU A  44      28.468   3.279  20.106  1.00 13.49           O  
+ATOM    356  CB  GLU A  44      27.574   3.834  23.023  1.00 24.96           C  
+ATOM    357  CG  GLU A  44      27.198   3.534  24.470  1.00 30.10           C  
+ATOM    358  CD  GLU A  44      25.755   3.880  24.789  1.00 46.26           C  
+ATOM    359  OE1 GLU A  44      25.335   5.016  24.488  1.00 47.27           O  
+ATOM    360  OE2 GLU A  44      25.042   3.023  25.352  1.00 33.08           O  
+ATOM    361  N   ARG A  45      26.312   3.879  19.953  1.00 12.45           N  
+ATOM    362  CA  ARG A  45      26.445   4.425  18.609  1.00 16.00           C  
+ATOM    363  C   ARG A  45      27.329   5.672  18.599  1.00 15.48           C  
+ATOM    364  O   ARG A  45      27.163   6.564  19.430  1.00 19.39           O  
+ATOM    365  CB  ARG A  45      25.056   4.766  18.061  1.00 12.17           C  
+ATOM    366  CG  ARG A  45      25.048   5.548  16.764  1.00 27.57           C  
+ATOM    367  CD  ARG A  45      23.619   5.746  16.274  1.00 29.67           C  
+ATOM    368  NE  ARG A  45      23.552   6.552  15.059  1.00 41.22           N  
+ATOM    369  CZ  ARG A  45      23.793   7.858  15.011  1.00 47.93           C  
+ATOM    370  NH1 ARG A  45      24.117   8.516  16.115  1.00 48.83           N  
+ATOM    371  NH2 ARG A  45      23.707   8.507  13.857  1.00 40.81           N  
+ATOM    372  N   ILE A  46      28.281   5.719  17.671  1.00  7.94           N  
+ATOM    373  CA  ILE A  46      29.160   6.877  17.541  1.00  8.09           C  
+ATOM    374  C   ILE A  46      28.415   7.879  16.659  1.00 14.48           C  
+ATOM    375  O   ILE A  46      28.218   7.651  15.468  1.00 10.05           O  
+ATOM    376  CB  ILE A  46      30.513   6.484  16.895  1.00  6.08           C  
+ATOM    377  CG1 ILE A  46      31.253   5.508  17.813  1.00 10.15           C  
+ATOM    378  CG2 ILE A  46      31.359   7.724  16.639  1.00 10.90           C  
+ATOM    379  CD1 ILE A  46      32.554   4.971  17.241  1.00 13.79           C  
+ATOM    380  N   GLU A  47      27.990   8.985  17.262  1.00 17.83           N  
+ATOM    381  CA  GLU A  47      27.231  10.014  16.560  1.00 23.98           C  
+ATOM    382  C   GLU A  47      28.038  10.752  15.499  1.00 24.25           C  
+ATOM    383  O   GLU A  47      27.525  11.077  14.429  1.00 25.34           O  
+ATOM    384  CB  GLU A  47      26.679  11.024  17.569  1.00 33.47           C  
+ATOM    385  CG  GLU A  47      25.743  12.060  16.974  1.00 53.45           C  
+ATOM    386  CD  GLU A  47      24.440  11.456  16.490  1.00 66.19           C  
+ATOM    387  OE1 GLU A  47      23.694  10.902  17.326  1.00 59.58           O  
+ATOM    388  OE2 GLU A  47      24.161  11.535  15.275  1.00 65.83           O  
+ATOM    389  N   LYS A  48      29.303  11.010  15.803  1.00 13.47           N  
+ATOM    390  CA  LYS A  48      30.178  11.729  14.893  1.00 24.38           C  
+ATOM    391  C   LYS A  48      31.016  10.823  13.994  1.00 21.74           C  
+ATOM    392  O   LYS A  48      32.017  10.262  14.431  1.00 14.47           O  
+ATOM    393  CB  LYS A  48      31.106  12.640  15.702  1.00 26.34           C  
+ATOM    394  CG  LYS A  48      32.110  13.427  14.882  1.00 29.56           C  
+ATOM    395  CD  LYS A  48      33.051  14.200  15.794  1.00 33.29           C  
+ATOM    396  CE  LYS A  48      34.007  15.068  14.997  1.00 50.95           C  
+ATOM    397  NZ  LYS A  48      33.279  16.107  14.218  1.00 61.91           N  
+ATOM    398  N   VAL A  49      30.590  10.667  12.744  1.00 17.01           N  
+ATOM    399  CA  VAL A  49      31.338   9.870  11.776  1.00 10.20           C  
+ATOM    400  C   VAL A  49      31.580  10.791  10.585  1.00 15.47           C  
+ATOM    401  O   VAL A  49      30.678  11.060   9.791  1.00 15.53           O  
+ATOM    402  CB  VAL A  49      30.568   8.613  11.329  1.00  7.87           C  
+ATOM    403  CG1 VAL A  49      31.385   7.855  10.287  1.00  7.12           C  
+ATOM    404  CG2 VAL A  49      30.304   7.713  12.535  1.00  9.70           C  
+ATOM    405  N   GLU A  50      32.815  11.272  10.489  1.00  7.12           N  
+ATOM    406  CA  GLU A  50      33.240  12.217   9.463  1.00 13.36           C  
+ATOM    407  C   GLU A  50      33.110  11.825   7.996  1.00 19.43           C  
+ATOM    408  O   GLU A  50      32.853  12.682   7.149  1.00 16.94           O  
+ATOM    409  CB  GLU A  50      34.693  12.625   9.727  1.00 19.22           C  
+ATOM    410  CG  GLU A  50      34.909  13.405  11.013  1.00 44.63           C  
+ATOM    411  CD  GLU A  50      34.252  14.773  10.986  1.00 54.17           C  
+ATOM    412  OE1 GLU A  50      34.423  15.532  11.962  1.00 65.17           O  
+ATOM    413  OE2 GLU A  50      33.566  15.092   9.992  1.00 63.53           O  
+ATOM    414  N   HIS A  51      33.282  10.546   7.685  1.00 10.35           N  
+ATOM    415  CA  HIS A  51      33.224  10.119   6.291  1.00  6.92           C  
+ATOM    416  C   HIS A  51      32.238   8.997   5.987  1.00  3.60           C  
+ATOM    417  O   HIS A  51      32.171   7.998   6.698  1.00  6.88           O  
+ATOM    418  CB  HIS A  51      34.624   9.701   5.845  1.00 14.30           C  
+ATOM    419  CG  HIS A  51      35.658  10.766   6.035  1.00 21.79           C  
+ATOM    420  ND1 HIS A  51      35.761  11.860   5.203  1.00 25.21           N  
+ATOM    421  CD2 HIS A  51      36.616  10.920   6.979  1.00 31.85           C  
+ATOM    422  CE1 HIS A  51      36.739  12.642   5.626  1.00 31.43           C  
+ATOM    423  NE2 HIS A  51      37.273  12.095   6.703  1.00 29.86           N  
+ATOM    424  N   SER A  52      31.472   9.183   4.916  1.00  9.01           N  
+ATOM    425  CA  SER A  52      30.493   8.199   4.466  1.00  5.16           C  
+ATOM    426  C   SER A  52      30.500   8.296   2.942  1.00 15.14           C  
+ATOM    427  O   SER A  52      29.829   9.148   2.366  1.00 16.36           O  
+ATOM    428  CB  SER A  52      29.102   8.536   5.010  1.00 11.20           C  
+ATOM    429  OG  SER A  52      28.177   7.497   4.737  1.00  9.94           O  
+ATOM    430  N   ASP A  53      31.273   7.427   2.299  1.00  7.19           N  
+ATOM    431  CA  ASP A  53      31.393   7.439   0.843  1.00  9.62           C  
+ATOM    432  C   ASP A  53      30.648   6.285   0.184  1.00  8.88           C  
+ATOM    433  O   ASP A  53      30.994   5.120   0.385  1.00  8.55           O  
+ATOM    434  CB  ASP A  53      32.872   7.383   0.433  1.00 13.75           C  
+ATOM    435  CG  ASP A  53      33.722   8.427   1.143  1.00 23.24           C  
+ATOM    436  OD1 ASP A  53      33.209   9.528   1.421  1.00 12.00           O  
+ATOM    437  OD2 ASP A  53      34.910   8.151   1.410  1.00 21.97           O  
+ATOM    438  N   LEU A  54      29.638   6.620  -0.616  1.00  7.75           N  
+ATOM    439  CA  LEU A  54      28.838   5.619  -1.315  1.00  6.54           C  
+ATOM    440  C   LEU A  54      29.145   5.627  -2.809  1.00 10.68           C  
+ATOM    441  O   LEU A  54      29.351   6.683  -3.408  1.00  7.83           O  
+ATOM    442  CB  LEU A  54      27.347   5.894  -1.113  1.00  3.57           C  
+ATOM    443  CG  LEU A  54      26.373   4.906  -1.764  1.00  7.10           C  
+ATOM    444  CD1 LEU A  54      26.383   3.595  -0.983  1.00  7.58           C  
+ATOM    445  CD2 LEU A  54      24.974   5.497  -1.779  1.00  7.25           C  
+ATOM    446  N   SER A  55      29.171   4.438  -3.399  1.00  3.83           N  
+ATOM    447  CA  SER A  55      29.434   4.280  -4.821  1.00  3.58           C  
+ATOM    448  C   SER A  55      28.761   2.999  -5.288  1.00  1.00           C  
+ATOM    449  O   SER A  55      28.215   2.249  -4.482  1.00  1.00           O  
+ATOM    450  CB  SER A  55      30.943   4.190  -5.082  1.00  3.07           C  
+ATOM    451  OG  SER A  55      31.518   3.046  -4.467  1.00  7.96           O  
+ATOM    452  N   PHE A  56      28.780   2.772  -6.594  1.00  4.73           N  
+ATOM    453  CA  PHE A  56      28.215   1.561  -7.167  1.00  6.04           C  
+ATOM    454  C   PHE A  56      29.061   1.178  -8.374  1.00  4.14           C  
+ATOM    455  O   PHE A  56      29.697   2.034  -8.986  1.00  9.73           O  
+ATOM    456  CB  PHE A  56      26.736   1.771  -7.555  1.00  2.12           C  
+ATOM    457  CG  PHE A  56      26.507   2.815  -8.623  1.00  7.24           C  
+ATOM    458  CD1 PHE A  56      26.610   2.490  -9.973  1.00  8.10           C  
+ATOM    459  CD2 PHE A  56      26.157   4.117  -8.273  1.00  6.14           C  
+ATOM    460  CE1 PHE A  56      26.364   3.451 -10.964  1.00  5.87           C  
+ATOM    461  CE2 PHE A  56      25.910   5.085  -9.254  1.00  7.31           C  
+ATOM    462  CZ  PHE A  56      26.014   4.749 -10.598  1.00  8.06           C  
+ATOM    463  N   SER A  57      29.110  -0.113  -8.685  1.00  4.22           N  
+ATOM    464  CA  SER A  57      29.869  -0.587  -9.840  1.00  6.27           C  
+ATOM    465  C   SER A  57      28.783  -0.872 -10.866  1.00 11.84           C  
+ATOM    466  O   SER A  57      28.460  -0.018 -11.692  1.00 13.56           O  
+ATOM    467  CB  SER A  57      30.648  -1.859  -9.487  1.00  6.55           C  
+ATOM    468  OG  SER A  57      29.799  -2.846  -8.934  1.00  6.78           O  
+ATOM    469  N   LYS A  58      28.211  -2.068 -10.806  1.00 10.45           N  
+ATOM    470  CA  LYS A  58      27.104  -2.404 -11.689  1.00 17.82           C  
+ATOM    471  C   LYS A  58      25.965  -1.595 -11.071  1.00 26.11           C  
+ATOM    472  O   LYS A  58      26.059  -1.192  -9.910  1.00 10.15           O  
+ATOM    473  CB  LYS A  58      26.780  -3.898 -11.607  1.00 10.51           C  
+ATOM    474  CG  LYS A  58      27.851  -4.815 -12.171  1.00 21.44           C  
+ATOM    475  CD  LYS A  58      27.917  -4.712 -13.685  1.00 38.83           C  
+ATOM    476  CE  LYS A  58      28.885  -5.728 -14.269  1.00 46.78           C  
+ATOM    477  NZ  LYS A  58      28.902  -5.675 -15.758  1.00 39.56           N  
+ATOM    478  N   ASP A  59      24.899  -1.348 -11.826  1.00 11.95           N  
+ATOM    479  CA  ASP A  59      23.779  -0.578 -11.289  1.00 14.03           C  
+ATOM    480  C   ASP A  59      23.150  -1.226 -10.059  1.00 18.01           C  
+ATOM    481  O   ASP A  59      22.461  -0.562  -9.288  1.00 12.60           O  
+ATOM    482  CB  ASP A  59      22.702  -0.376 -12.358  1.00 16.40           C  
+ATOM    483  CG  ASP A  59      23.101   0.647 -13.403  1.00 21.20           C  
+ATOM    484  OD1 ASP A  59      24.138   1.317 -13.220  1.00 18.03           O  
+ATOM    485  OD2 ASP A  59      22.369   0.789 -14.404  1.00 20.81           O  
+ATOM    486  N   TRP A  60      23.397  -2.519  -9.872  1.00  9.82           N  
+ATOM    487  CA  TRP A  60      22.828  -3.247  -8.741  1.00 10.51           C  
+ATOM    488  C   TRP A  60      23.852  -3.686  -7.697  1.00 19.63           C  
+ATOM    489  O   TRP A  60      23.638  -4.672  -6.993  1.00 11.53           O  
+ATOM    490  CB  TRP A  60      22.069  -4.474  -9.251  1.00 11.13           C  
+ATOM    491  CG  TRP A  60      22.913  -5.342 -10.124  1.00 20.39           C  
+ATOM    492  CD1 TRP A  60      23.816  -6.285  -9.718  1.00 20.27           C  
+ATOM    493  CD2 TRP A  60      22.982  -5.309 -11.555  1.00 17.37           C  
+ATOM    494  NE1 TRP A  60      24.443  -6.840 -10.809  1.00 23.83           N  
+ATOM    495  CE2 TRP A  60      23.950  -6.259 -11.948  1.00 20.24           C  
+ATOM    496  CE3 TRP A  60      22.319  -4.568 -12.543  1.00 35.60           C  
+ATOM    497  CZ2 TRP A  60      24.274  -6.489 -13.292  1.00 34.58           C  
+ATOM    498  CZ3 TRP A  60      22.642  -4.796 -13.881  1.00 24.62           C  
+ATOM    499  CH2 TRP A  60      23.611  -5.750 -14.240  1.00 25.63           C  
+ATOM    500  N   SER A  61      24.962  -2.964  -7.595  1.00  8.13           N  
+ATOM    501  CA  SER A  61      25.981  -3.311  -6.608  1.00  4.93           C  
+ATOM    502  C   SER A  61      26.527  -2.046  -5.958  1.00  7.18           C  
+ATOM    503  O   SER A  61      27.233  -1.264  -6.599  1.00  5.07           O  
+ATOM    504  CB  SER A  61      27.113  -4.098  -7.268  1.00 11.51           C  
+ATOM    505  OG  SER A  61      28.052  -4.538  -6.301  1.00 12.98           O  
+ATOM    506  N   PHE A  62      26.191  -1.850  -4.686  1.00  2.19           N  
+ATOM    507  CA  PHE A  62      26.625  -0.666  -3.949  1.00  1.00           C  
+ATOM    508  C   PHE A  62      27.747  -0.940  -2.961  1.00 11.73           C  
+ATOM    509  O   PHE A  62      27.904  -2.060  -2.466  1.00  2.80           O  
+ATOM    510  CB  PHE A  62      25.432  -0.040  -3.216  1.00  1.57           C  
+ATOM    511  CG  PHE A  62      24.509   0.733  -4.116  1.00  4.35           C  
+ATOM    512  CD1 PHE A  62      24.560   2.126  -4.161  1.00  5.49           C  
+ATOM    513  CD2 PHE A  62      23.601   0.068  -4.937  1.00  4.91           C  
+ATOM    514  CE1 PHE A  62      23.716   2.847  -5.014  1.00  4.99           C  
+ATOM    515  CE2 PHE A  62      22.752   0.779  -5.795  1.00  9.82           C  
+ATOM    516  CZ  PHE A  62      22.811   2.171  -5.832  1.00  4.73           C  
+ATOM    517  N   TYR A  63      28.520   0.105  -2.682  1.00  3.81           N  
+ATOM    518  CA  TYR A  63      29.650   0.026  -1.768  1.00  3.62           C  
+ATOM    519  C   TYR A  63      29.659   1.254  -0.878  1.00  5.07           C  
+ATOM    520  O   TYR A  63      29.472   2.372  -1.356  1.00  5.16           O  
+ATOM    521  CB  TYR A  63      30.961  -0.026  -2.553  1.00  3.19           C  
+ATOM    522  CG  TYR A  63      31.004  -1.157  -3.544  1.00  3.40           C  
+ATOM    523  CD1 TYR A  63      30.393  -1.038  -4.792  1.00  5.70           C  
+ATOM    524  CD2 TYR A  63      31.581  -2.381  -3.205  1.00  4.94           C  
+ATOM    525  CE1 TYR A  63      30.348  -2.109  -5.674  1.00 10.08           C  
+ATOM    526  CE2 TYR A  63      31.541  -3.460  -4.082  1.00  8.07           C  
+ATOM    527  CZ  TYR A  63      30.922  -3.316  -5.312  1.00 11.23           C  
+ATOM    528  OH  TYR A  63      30.863  -4.385  -6.175  1.00 12.27           O  
+ATOM    529  N   LEU A  64      29.884   1.040   0.413  1.00  2.65           N  
+ATOM    530  CA  LEU A  64      29.923   2.139   1.363  1.00  5.08           C  
+ATOM    531  C   LEU A  64      31.127   2.041   2.278  1.00  4.51           C  
+ATOM    532  O   LEU A  64      31.350   1.007   2.909  1.00  5.21           O  
+ATOM    533  CB  LEU A  64      28.660   2.149   2.230  1.00  4.51           C  
+ATOM    534  CG  LEU A  64      28.626   3.243   3.308  1.00 11.02           C  
+ATOM    535  CD1 LEU A  64      28.412   4.594   2.645  1.00  9.26           C  
+ATOM    536  CD2 LEU A  64      27.511   2.963   4.307  1.00 13.20           C  
+ATOM    537  N   LEU A  65      31.913   3.113   2.332  1.00  3.06           N  
+ATOM    538  CA  LEU A  65      33.057   3.170   3.228  1.00  3.25           C  
+ATOM    539  C   LEU A  65      32.642   4.203   4.269  1.00  4.06           C  
+ATOM    540  O   LEU A  65      32.461   5.384   3.955  1.00  7.34           O  
+ATOM    541  CB  LEU A  65      34.326   3.629   2.508  1.00  8.39           C  
+ATOM    542  CG  LEU A  65      35.561   3.626   3.420  1.00  5.46           C  
+ATOM    543  CD1 LEU A  65      35.807   2.214   3.939  1.00  6.67           C  
+ATOM    544  CD2 LEU A  65      36.778   4.133   2.657  1.00  8.20           C  
+ATOM    545  N   TYR A  66      32.489   3.742   5.503  1.00  3.55           N  
+ATOM    546  CA  TYR A  66      32.044   4.578   6.615  1.00  3.71           C  
+ATOM    547  C   TYR A  66      33.165   4.597   7.643  1.00  2.41           C  
+ATOM    548  O   TYR A  66      33.427   3.588   8.296  1.00  5.85           O  
+ATOM    549  CB  TYR A  66      30.781   3.938   7.200  1.00  4.04           C  
+ATOM    550  CG  TYR A  66      29.983   4.753   8.190  1.00  3.95           C  
+ATOM    551  CD1 TYR A  66      29.311   5.914   7.802  1.00  5.30           C  
+ATOM    552  CD2 TYR A  66      29.833   4.314   9.507  1.00  7.69           C  
+ATOM    553  CE1 TYR A  66      28.497   6.613   8.705  1.00  6.56           C  
+ATOM    554  CE2 TYR A  66      29.029   5.001  10.414  1.00  4.88           C  
+ATOM    555  CZ  TYR A  66      28.363   6.146  10.010  1.00  6.19           C  
+ATOM    556  OH  TYR A  66      27.563   6.812  10.914  1.00  7.58           O  
+ATOM    557  N   TYR A  67      33.831   5.738   7.788  1.00  6.72           N  
+ATOM    558  CA  TYR A  67      34.936   5.823   8.734  1.00  6.34           C  
+ATOM    559  C   TYR A  67      35.095   7.183   9.396  1.00  4.91           C  
+ATOM    560  O   TYR A  67      34.552   8.188   8.933  1.00  5.53           O  
+ATOM    561  CB  TYR A  67      36.253   5.441   8.049  1.00  4.20           C  
+ATOM    562  CG  TYR A  67      36.729   6.411   6.985  1.00 12.76           C  
+ATOM    563  CD1 TYR A  67      36.098   6.486   5.745  1.00 15.27           C  
+ATOM    564  CD2 TYR A  67      37.829   7.236   7.215  1.00 19.75           C  
+ATOM    565  CE1 TYR A  67      36.554   7.356   4.755  1.00 22.04           C  
+ATOM    566  CE2 TYR A  67      38.294   8.109   6.235  1.00 23.93           C  
+ATOM    567  CZ  TYR A  67      37.652   8.163   5.007  1.00 26.37           C  
+ATOM    568  OH  TYR A  67      38.111   9.019   4.034  1.00 37.65           O  
+ATOM    569  N   THR A  68      35.857   7.202  10.483  1.00  9.12           N  
+ATOM    570  CA  THR A  68      36.097   8.436  11.217  1.00  8.04           C  
+ATOM    571  C   THR A  68      37.293   8.231  12.141  1.00  8.22           C  
+ATOM    572  O   THR A  68      37.622   7.101  12.503  1.00  7.00           O  
+ATOM    573  CB  THR A  68      34.849   8.830  12.046  1.00  8.78           C  
+ATOM    574  OG1 THR A  68      34.943  10.206  12.435  1.00 11.70           O  
+ATOM    575  CG2 THR A  68      34.735   7.963  13.293  1.00 12.99           C  
+ATOM    576  N   GLU A  69      37.954   9.319  12.513  1.00  9.37           N  
+ATOM    577  CA  GLU A  69      39.107   9.212  13.398  1.00  5.46           C  
+ATOM    578  C   GLU A  69      38.702   8.777  14.803  1.00  7.38           C  
+ATOM    579  O   GLU A  69      37.624   9.126  15.289  1.00  9.98           O  
+ATOM    580  CB  GLU A  69      39.849  10.550  13.458  1.00 15.44           C  
+ATOM    581  CG  GLU A  69      41.022  10.556  14.420  1.00 13.15           C  
+ATOM    582  CD  GLU A  69      41.934  11.750  14.218  1.00 33.77           C  
+ATOM    583  OE1 GLU A  69      41.417  12.867  14.015  1.00 24.19           O  
+ATOM    584  OE2 GLU A  69      43.168  11.571  14.270  1.00 31.67           O  
+ATOM    585  N   PHE A  70      39.564   7.997  15.447  1.00 11.87           N  
+ATOM    586  CA  PHE A  70      39.300   7.533  16.802  1.00 11.80           C  
+ATOM    587  C   PHE A  70      40.604   7.244  17.539  1.00 11.59           C  
+ATOM    588  O   PHE A  70      41.674   7.211  16.933  1.00 10.86           O  
+ATOM    589  CB  PHE A  70      38.384   6.291  16.776  1.00 14.57           C  
+ATOM    590  CG  PHE A  70      39.082   4.990  16.438  1.00  5.27           C  
+ATOM    591  CD1 PHE A  70      40.043   4.921  15.431  1.00  5.75           C  
+ATOM    592  CD2 PHE A  70      38.730   3.817  17.103  1.00  6.50           C  
+ATOM    593  CE1 PHE A  70      40.641   3.696  15.093  1.00  4.61           C  
+ATOM    594  CE2 PHE A  70      39.319   2.590  16.773  1.00  7.89           C  
+ATOM    595  CZ  PHE A  70      40.276   2.530  15.767  1.00  7.33           C  
+ATOM    596  N   THR A  71      40.513   7.068  18.852  1.00 13.45           N  
+ATOM    597  CA  THR A  71      41.687   6.777  19.669  1.00 11.87           C  
+ATOM    598  C   THR A  71      41.351   5.581  20.549  1.00 13.46           C  
+ATOM    599  O   THR A  71      40.923   5.739  21.692  1.00 17.90           O  
+ATOM    600  CB  THR A  71      42.056   7.977  20.563  1.00 18.64           C  
+ATOM    601  OG1 THR A  71      42.242   9.141  19.748  1.00 21.59           O  
+ATOM    602  CG2 THR A  71      43.342   7.693  21.327  1.00 25.38           C  
+ATOM    603  N   PRO A  72      41.544   4.363  20.023  1.00 12.19           N  
+ATOM    604  CA  PRO A  72      41.255   3.130  20.755  1.00 12.94           C  
+ATOM    605  C   PRO A  72      42.208   2.816  21.902  1.00 20.09           C  
+ATOM    606  O   PRO A  72      43.391   3.158  21.861  1.00 19.67           O  
+ATOM    607  CB  PRO A  72      41.314   2.069  19.662  1.00 12.20           C  
+ATOM    608  CG  PRO A  72      42.415   2.578  18.790  1.00 13.35           C  
+ATOM    609  CD  PRO A  72      42.084   4.060  18.683  1.00 18.66           C  
+ATOM    610  N   THR A  73      41.666   2.170  22.927  1.00 21.27           N  
+ATOM    611  CA  THR A  73      42.434   1.750  24.093  1.00 27.62           C  
+ATOM    612  C   THR A  73      42.148   0.262  24.241  1.00 38.26           C  
+ATOM    613  O   THR A  73      41.091  -0.210  23.823  1.00 28.33           O  
+ATOM    614  CB  THR A  73      41.983   2.473  25.379  1.00 20.73           C  
+ATOM    615  OG1 THR A  73      40.606   2.175  25.639  1.00 31.75           O  
+ATOM    616  CG2 THR A  73      42.160   3.974  25.238  1.00 26.86           C  
+ATOM    617  N   GLU A  74      43.082  -0.473  24.831  1.00 34.10           N  
+ATOM    618  CA  GLU A  74      42.922  -1.912  25.011  1.00 45.54           C  
+ATOM    619  C   GLU A  74      41.686  -2.298  25.823  1.00 45.08           C  
+ATOM    620  O   GLU A  74      41.373  -3.482  25.952  1.00 57.55           O  
+ATOM    621  CB  GLU A  74      44.171  -2.500  25.677  1.00 43.01           C  
+ATOM    622  CG  GLU A  74      44.426  -2.007  27.098  1.00 49.19           C  
+ATOM    623  CD  GLU A  74      44.703  -0.516  27.167  1.00 49.95           C  
+ATOM    624  OE1 GLU A  74      45.670  -0.059  26.520  1.00 63.53           O  
+ATOM    625  OE2 GLU A  74      43.955   0.198  27.869  1.00 60.78           O  
+ATOM    626  N   LYS A  75      40.982  -1.307  26.362  1.00 30.90           N  
+ATOM    627  CA  LYS A  75      39.795  -1.574  27.172  1.00 30.29           C  
+ATOM    628  C   LYS A  75      38.474  -1.352  26.435  1.00 50.19           C  
+ATOM    629  O   LYS A  75      37.436  -1.870  26.850  1.00 39.37           O  
+ATOM    630  CB  LYS A  75      39.814  -0.708  28.435  1.00 47.27           C  
+ATOM    631  CG  LYS A  75      39.728   0.787  28.165  1.00 47.62           C  
+ATOM    632  CD  LYS A  75      39.702   1.585  29.459  1.00 51.59           C  
+ATOM    633  CE  LYS A  75      39.617   3.079  29.186  1.00 41.70           C  
+ATOM    634  NZ  LYS A  75      39.588   3.874  30.446  1.00 54.12           N  
+ATOM    635  N   ASP A  76      38.507  -0.581  25.353  1.00 19.66           N  
+ATOM    636  CA  ASP A  76      37.292  -0.309  24.590  1.00 21.26           C  
+ATOM    637  C   ASP A  76      37.075  -1.305  23.461  1.00 18.77           C  
+ATOM    638  O   ASP A  76      38.027  -1.836  22.889  1.00 28.57           O  
+ATOM    639  CB  ASP A  76      37.323   1.109  24.015  1.00 23.25           C  
+ATOM    640  CG  ASP A  76      37.270   2.177  25.091  1.00 24.64           C  
+ATOM    641  OD1 ASP A  76      36.329   2.148  25.911  1.00 38.03           O  
+ATOM    642  OD2 ASP A  76      38.166   3.046  25.117  1.00 36.63           O  
+ATOM    643  N   GLU A  77      35.809  -1.554  23.147  1.00 22.34           N  
+ATOM    644  CA  GLU A  77      35.452  -2.480  22.080  1.00 17.52           C  
+ATOM    645  C   GLU A  77      34.765  -1.695  20.969  1.00 13.60           C  
+ATOM    646  O   GLU A  77      33.863  -0.901  21.230  1.00 18.56           O  
+ATOM    647  CB  GLU A  77      34.505  -3.562  22.608  1.00 24.73           C  
+ATOM    648  CG  GLU A  77      33.188  -3.025  23.146  1.00 41.37           C  
+ATOM    649  CD  GLU A  77      32.224  -4.124  23.551  1.00 67.90           C  
+ATOM    650  OE1 GLU A  77      31.860  -4.948  22.684  1.00 63.37           O  
+ATOM    651  OE2 GLU A  77      31.828  -4.163  24.736  1.00 59.31           O  
+ATOM    652  N   TYR A  78      35.202  -1.911  19.734  1.00 13.98           N  
+ATOM    653  CA  TYR A  78      34.611  -1.212  18.601  1.00 14.03           C  
+ATOM    654  C   TYR A  78      33.980  -2.187  17.626  1.00 15.79           C  
+ATOM    655  O   TYR A  78      34.438  -3.320  17.481  1.00 11.27           O  
+ATOM    656  CB  TYR A  78      35.665  -0.366  17.888  1.00 10.14           C  
+ATOM    657  CG  TYR A  78      36.156   0.787  18.729  1.00 12.31           C  
+ATOM    658  CD1 TYR A  78      37.192   0.618  19.647  1.00 15.50           C  
+ATOM    659  CD2 TYR A  78      35.561   2.043  18.628  1.00  9.82           C  
+ATOM    660  CE1 TYR A  78      37.625   1.677  20.443  1.00 12.39           C  
+ATOM    661  CE2 TYR A  78      35.985   3.106  19.419  1.00 13.95           C  
+ATOM    662  CZ  TYR A  78      37.017   2.916  20.323  1.00 16.61           C  
+ATOM    663  OH  TYR A  78      37.437   3.968  21.102  1.00 19.97           O  
+ATOM    664  N   ALA A  79      32.924  -1.742  16.956  1.00 10.38           N  
+ATOM    665  CA  ALA A  79      32.236  -2.595  16.005  1.00  5.71           C  
+ATOM    666  C   ALA A  79      31.440  -1.783  15.000  1.00  9.11           C  
+ATOM    667  O   ALA A  79      31.340  -0.560  15.105  1.00  7.95           O  
+ATOM    668  CB  ALA A  79      31.306  -3.542  16.748  1.00 10.11           C  
+ATOM    669  N   CYS A  80      30.881  -2.481  14.020  1.00  3.01           N  
+ATOM    670  CA  CYS A  80      30.056  -1.850  13.002  1.00  2.94           C  
+ATOM    671  C   CYS A  80      28.720  -2.581  12.994  1.00  6.16           C  
+ATOM    672  O   CYS A  80      28.680  -3.811  12.967  1.00  6.81           O  
+ATOM    673  CB  CYS A  80      30.702  -1.966  11.623  1.00  2.30           C  
+ATOM    674  SG  CYS A  80      29.805  -1.039  10.340  1.00  9.99           S  
+ATOM    675  N   ARG A  81      27.633  -1.819  13.035  1.00  3.33           N  
+ATOM    676  CA  ARG A  81      26.292  -2.393  13.027  1.00  6.35           C  
+ATOM    677  C   ARG A  81      25.601  -2.023  11.725  1.00 11.37           C  
+ATOM    678  O   ARG A  81      25.519  -0.847  11.362  1.00  6.60           O  
+ATOM    679  CB  ARG A  81      25.477  -1.866  14.200  1.00  2.81           C  
+ATOM    680  CG  ARG A  81      24.107  -2.512  14.331  1.00  9.85           C  
+ATOM    681  CD  ARG A  81      23.419  -2.022  15.592  1.00 12.92           C  
+ATOM    682  NE  ARG A  81      23.234  -0.576  15.554  1.00 21.28           N  
+ATOM    683  CZ  ARG A  81      23.074   0.187  16.629  1.00 33.72           C  
+ATOM    684  NH1 ARG A  81      23.078  -0.359  17.838  1.00 17.37           N  
+ATOM    685  NH2 ARG A  81      22.913   1.496  16.493  1.00 14.03           N  
+ATOM    686  N   VAL A  82      25.092  -3.034  11.036  1.00  3.59           N  
+ATOM    687  CA  VAL A  82      24.436  -2.824   9.757  1.00  4.31           C  
+ATOM    688  C   VAL A  82      23.026  -3.392   9.720  1.00 12.60           C  
+ATOM    689  O   VAL A  82      22.788  -4.509  10.179  1.00  6.01           O  
+ATOM    690  CB  VAL A  82      25.254  -3.484   8.617  1.00  1.92           C  
+ATOM    691  CG1 VAL A  82      24.522  -3.352   7.296  1.00  1.00           C  
+ATOM    692  CG2 VAL A  82      26.634  -2.854   8.530  1.00  4.82           C  
+ATOM    693  N   ASN A  83      22.097  -2.604   9.182  1.00  3.06           N  
+ATOM    694  CA  ASN A  83      20.712  -3.034   9.019  1.00  1.00           C  
+ATOM    695  C   ASN A  83      20.419  -2.936   7.528  1.00  5.48           C  
+ATOM    696  O   ASN A  83      20.694  -1.912   6.900  1.00  5.43           O  
+ATOM    697  CB  ASN A  83      19.751  -2.138   9.802  1.00  9.45           C  
+ATOM    698  CG  ASN A  83      19.483  -2.655  11.201  1.00 42.89           C  
+ATOM    699  OD1 ASN A  83      19.012  -3.777  11.379  1.00 45.58           O  
+ATOM    700  ND2 ASN A  83      19.778  -1.836  12.201  1.00 48.44           N  
+ATOM    701  N   HIS A  84      19.878  -4.012   6.965  1.00  3.33           N  
+ATOM    702  CA  HIS A  84      19.564  -4.082   5.539  1.00  3.87           C  
+ATOM    703  C   HIS A  84      18.375  -5.029   5.406  1.00  1.75           C  
+ATOM    704  O   HIS A  84      18.128  -5.836   6.303  1.00  7.26           O  
+ATOM    705  CB  HIS A  84      20.782  -4.630   4.778  1.00  1.37           C  
+ATOM    706  CG  HIS A  84      20.676  -4.525   3.285  1.00  4.21           C  
+ATOM    707  ND1 HIS A  84      20.393  -5.608   2.480  1.00  4.42           N  
+ATOM    708  CD2 HIS A  84      20.835  -3.468   2.452  1.00  2.54           C  
+ATOM    709  CE1 HIS A  84      20.382  -5.223   1.215  1.00  2.70           C  
+ATOM    710  NE2 HIS A  84      20.648  -3.929   1.171  1.00  3.16           N  
+ATOM    711  N   VAL A  85      17.637  -4.944   4.301  1.00  5.23           N  
+ATOM    712  CA  VAL A  85      16.478  -5.815   4.138  1.00  3.12           C  
+ATOM    713  C   VAL A  85      16.842  -7.293   4.107  1.00  7.77           C  
+ATOM    714  O   VAL A  85      16.014  -8.145   4.443  1.00  5.95           O  
+ATOM    715  CB  VAL A  85      15.661  -5.467   2.866  1.00  4.75           C  
+ATOM    716  CG1 VAL A  85      15.035  -4.093   3.021  1.00 15.15           C  
+ATOM    717  CG2 VAL A  85      16.547  -5.518   1.633  1.00  4.93           C  
+ATOM    718  N   THR A  86      18.080  -7.594   3.726  1.00  2.64           N  
+ATOM    719  CA  THR A  86      18.546  -8.981   3.655  1.00  3.75           C  
+ATOM    720  C   THR A  86      18.923  -9.540   5.028  1.00  7.90           C  
+ATOM    721  O   THR A  86      19.169 -10.736   5.165  1.00  2.51           O  
+ATOM    722  CB  THR A  86      19.782  -9.119   2.732  1.00  7.67           C  
+ATOM    723  OG1 THR A  86      20.832  -8.260   3.204  1.00  4.86           O  
+ATOM    724  CG2 THR A  86      19.425  -8.742   1.291  1.00  6.02           C  
+ATOM    725  N   LEU A  87      18.972  -8.673   6.036  1.00  5.57           N  
+ATOM    726  CA  LEU A  87      19.329  -9.083   7.395  1.00  5.94           C  
+ATOM    727  C   LEU A  87      18.116  -8.985   8.314  1.00  9.44           C  
+ATOM    728  O   LEU A  87      17.663  -7.888   8.633  1.00 11.11           O  
+ATOM    729  CB  LEU A  87      20.454  -8.189   7.929  1.00  4.30           C  
+ATOM    730  CG  LEU A  87      21.739  -8.132   7.097  1.00  6.29           C  
+ATOM    731  CD1 LEU A  87      22.634  -6.997   7.587  1.00  6.37           C  
+ATOM    732  CD2 LEU A  87      22.459  -9.464   7.176  1.00  9.45           C  
+ATOM    733  N   SER A  88      17.595 -10.133   8.741  1.00  5.89           N  
+ATOM    734  CA  SER A  88      16.426 -10.159   9.616  1.00  5.64           C  
+ATOM    735  C   SER A  88      16.715  -9.458  10.939  1.00 10.12           C  
+ATOM    736  O   SER A  88      15.823  -8.872  11.551  1.00 12.66           O  
+ATOM    737  CB  SER A  88      15.980 -11.603   9.866  1.00  7.46           C  
+ATOM    738  OG  SER A  88      17.068 -12.416  10.262  1.00  9.86           O  
+ATOM    739  N   GLN A  89      17.967  -9.524  11.371  1.00  7.50           N  
+ATOM    740  CA  GLN A  89      18.398  -8.874  12.602  1.00  8.34           C  
+ATOM    741  C   GLN A  89      19.626  -8.051  12.233  1.00  5.65           C  
+ATOM    742  O   GLN A  89      20.384  -8.433  11.344  1.00  6.99           O  
+ATOM    743  CB  GLN A  89      18.775  -9.916  13.661  1.00 14.53           C  
+ATOM    744  CG  GLN A  89      17.632 -10.835  14.083  1.00 11.85           C  
+ATOM    745  CD  GLN A  89      16.431 -10.073  14.615  1.00 40.36           C  
+ATOM    746  OE1 GLN A  89      16.560  -9.231  15.503  1.00 39.09           O  
+ATOM    747  NE2 GLN A  89      15.252 -10.372  14.075  1.00 35.40           N  
+ATOM    748  N   PRO A  90      19.834  -6.903  12.897  1.00 10.49           N  
+ATOM    749  CA  PRO A  90      21.015  -6.109  12.549  1.00  7.73           C  
+ATOM    750  C   PRO A  90      22.282  -6.937  12.741  1.00  6.35           C  
+ATOM    751  O   PRO A  90      22.387  -7.721  13.687  1.00  9.51           O  
+ATOM    752  CB  PRO A  90      20.929  -4.920  13.507  1.00 15.01           C  
+ATOM    753  CG  PRO A  90      20.204  -5.489  14.694  1.00 28.25           C  
+ATOM    754  CD  PRO A  90      19.121  -6.316  14.044  1.00 16.04           C  
+ATOM    755  N   LYS A  91      23.233  -6.778  11.832  1.00  5.83           N  
+ATOM    756  CA  LYS A  91      24.476  -7.525  11.918  1.00  5.81           C  
+ATOM    757  C   LYS A  91      25.553  -6.669  12.558  1.00  9.45           C  
+ATOM    758  O   LYS A  91      25.778  -5.532  12.153  1.00  7.88           O  
+ATOM    759  CB  LYS A  91      24.930  -7.977  10.529  1.00  8.26           C  
+ATOM    760  CG  LYS A  91      26.185  -8.838  10.549  1.00 19.99           C  
+ATOM    761  CD  LYS A  91      26.545  -9.366   9.166  1.00 27.33           C  
+ATOM    762  CE  LYS A  91      25.486 -10.315   8.635  1.00 40.35           C  
+ATOM    763  NZ  LYS A  91      25.884 -10.908   7.325  1.00 47.17           N  
+ATOM    764  N   ILE A  92      26.206  -7.219  13.575  1.00  5.23           N  
+ATOM    765  CA  ILE A  92      27.266  -6.499  14.262  1.00  5.94           C  
+ATOM    766  C   ILE A  92      28.583  -7.217  14.034  1.00 10.29           C  
+ATOM    767  O   ILE A  92      28.731  -8.389  14.378  1.00 11.31           O  
+ATOM    768  CB  ILE A  92      26.996  -6.410  15.779  1.00  8.85           C  
+ATOM    769  CG1 ILE A  92      25.673  -5.683  16.028  1.00 11.75           C  
+ATOM    770  CG2 ILE A  92      28.142  -5.680  16.468  1.00 14.74           C  
+ATOM    771  CD1 ILE A  92      25.236  -5.667  17.474  1.00 16.55           C  
+ATOM    772  N   VAL A  93      29.531  -6.514  13.425  1.00  8.10           N  
+ATOM    773  CA  VAL A  93      30.845  -7.076  13.158  1.00  7.44           C  
+ATOM    774  C   VAL A  93      31.826  -6.307  14.021  1.00 13.19           C  
+ATOM    775  O   VAL A  93      31.963  -5.091  13.894  1.00  6.78           O  
+ATOM    776  CB  VAL A  93      31.237  -6.923  11.673  1.00  6.34           C  
+ATOM    777  CG1 VAL A  93      32.647  -7.449  11.446  1.00 11.20           C  
+ATOM    778  CG2 VAL A  93      30.241  -7.679  10.795  1.00 12.33           C  
+ATOM    779  N   LYS A  94      32.498  -7.020  14.915  1.00 14.66           N  
+ATOM    780  CA  LYS A  94      33.455  -6.389  15.808  1.00 11.67           C  
+ATOM    781  C   LYS A  94      34.761  -6.048  15.109  1.00 15.84           C  
+ATOM    782  O   LYS A  94      35.133  -6.661  14.104  1.00 14.92           O  
+ATOM    783  CB  LYS A  94      33.744  -7.306  17.002  1.00 20.51           C  
+ATOM    784  CG  LYS A  94      32.535  -7.596  17.871  1.00 26.19           C  
+ATOM    785  CD  LYS A  94      32.903  -8.495  19.042  1.00 41.19           C  
+ATOM    786  CE  LYS A  94      31.704  -8.752  19.940  1.00 47.27           C  
+ATOM    787  NZ  LYS A  94      32.056  -9.604  21.110  1.00 53.10           N  
+ATOM    788  N   TRP A  95      35.446  -5.043  15.639  1.00 12.29           N  
+ATOM    789  CA  TRP A  95      36.732  -4.642  15.104  1.00 13.40           C  
+ATOM    790  C   TRP A  95      37.762  -5.496  15.825  1.00 20.26           C  
+ATOM    791  O   TRP A  95      37.769  -5.566  17.056  1.00 27.16           O  
+ATOM    792  CB  TRP A  95      37.002  -3.162  15.393  1.00 15.49           C  
+ATOM    793  CG  TRP A  95      38.421  -2.749  15.145  1.00 11.27           C  
+ATOM    794  CD1 TRP A  95      39.126  -2.884  13.984  1.00 15.26           C  
+ATOM    795  CD2 TRP A  95      39.310  -2.132  16.086  1.00 14.99           C  
+ATOM    796  NE1 TRP A  95      40.399  -2.390  14.142  1.00 21.95           N  
+ATOM    797  CE2 TRP A  95      40.539  -1.922  15.423  1.00 14.68           C  
+ATOM    798  CE3 TRP A  95      39.186  -1.735  17.425  1.00 20.80           C  
+ATOM    799  CZ2 TRP A  95      41.640  -1.332  16.053  1.00 17.71           C  
+ATOM    800  CZ3 TRP A  95      40.283  -1.147  18.053  1.00 20.40           C  
+ATOM    801  CH2 TRP A  95      41.493  -0.953  17.364  1.00 12.57           C  
+ATOM    802  N   ASP A  96      38.614  -6.161  15.056  1.00 19.31           N  
+ATOM    803  CA  ASP A  96      39.659  -6.994  15.633  1.00 38.22           C  
+ATOM    804  C   ASP A  96      40.954  -6.186  15.715  1.00 41.70           C  
+ATOM    805  O   ASP A  96      41.881  -6.473  14.927  1.00 61.54           O  
+ATOM    806  CB  ASP A  96      39.880  -8.243  14.780  1.00 35.17           C  
+ATOM    807  CG  ASP A  96      40.806  -9.240  15.444  1.00 45.90           C  
+ATOM    808  OD1 ASP A  96      41.919  -8.840  15.843  1.00 33.75           O  
+ATOM    809  OD2 ASP A  96      40.421 -10.422  15.568  1.00 45.64           O  
+TER     810      ASP A  96                                                      
+HETATM  811 NA    NA A 100      16.750  -5.880   8.209  1.00 15.25          NA  
+HETATM  812  O   HOH A 101      27.570   5.718  13.490  1.00  8.12           O  
+HETATM  813  O   HOH A 102      32.347   3.959  -1.793  1.00 10.51           O  
+HETATM  814  O   HOH A 103      42.468   0.333   3.154  1.00 11.57           O  
+HETATM  815  O   HOH A 104      17.601  -2.451   2.829  1.00  8.71           O  
+HETATM  816  O   HOH A 105      33.179  -5.549   2.885  1.00  6.83           O  
+HETATM  817  O   HOH A 106      14.609  -6.255  -1.884  1.00 10.37           O  
+HETATM  818  O   HOH A 107      23.081   0.472  12.523  1.00 12.98           O  
+HETATM  819  O   HOH A 108      21.490 -12.319   4.822  1.00 11.69           O  
+HETATM  820  O   HOH A 109      21.395   4.660  13.135  1.00 20.47           O  
+HETATM  821  O   HOH A 110      25.401  -9.832  14.751  1.00 15.91           O  
+HETATM  822  O   HOH A 111      39.991   1.644   3.370  1.00 13.53           O  
+HETATM  823  O   HOH A 112      19.068 -12.332   7.479  1.00 14.01           O  
+HETATM  824  O   HOH A 113      40.222   3.908   4.778  1.00 15.93           O  
+HETATM  825  O   HOH A 114      36.048  -7.258   9.945  1.00 14.12           O  
+HETATM  826  O   HOH A 115      35.826  11.006  14.744  1.00 18.68           O  
+HETATM  827  O   HOH A 116      31.011  -1.745  20.387  1.00 18.41           O  
+HETATM  828  O   HOH A 117      43.587   9.292  16.111  1.00 10.88           O  
+HETATM  829  O   HOH A 118      30.334 -10.080   6.018  1.00 16.94           O  
+HETATM  830  O   HOH A 119      28.883   1.572  27.253  1.00 29.66           O  
+HETATM  831  O   HOH A 120      33.766  10.336  16.272  1.00 16.67           O  
+HETATM  832  O   HOH A 121      50.955   5.653  14.539  1.00 17.03           O  
+HETATM  833  O   HOH A 122      26.881   0.787 -13.651  1.00 20.86           O  
+HETATM  834  O   HOH A 123      15.888  -3.791   7.376  1.00 11.91           O  
+HETATM  835  O   HOH A 124      19.819  -0.406  -8.460  1.00 10.92           O  
+HETATM  836  O   HOH A 125      37.751   6.451  20.183  1.00 16.41           O  
+HETATM  837  O   HOH A 126      34.269   2.202  -1.178  1.00 20.31           O  
+HETATM  838  O   HOH A 127      19.996 -14.562   4.862  1.00  8.01           O  
+HETATM  839  O   HOH A 128      31.157  10.896  -0.579  1.00 25.57           O  
+HETATM  840  O   HOH A 129      14.565  -0.222  -1.948  1.00 18.80           O  
+HETATM  841  O   HOH A 130      36.470  -3.957  -3.050  1.00 29.72           O  
+HETATM  842  O   HOH A 131      19.538 -12.500  11.216  1.00 32.11           O  
+HETATM  843  O   HOH A 132      32.004   7.777  -3.502  1.00 16.84           O  
+HETATM  844  O   HOH A 133      29.484  10.108  -3.934  1.00 22.54           O  
+HETATM  845  O   HOH A 134      16.375  -5.097  -7.770  1.00 17.93           O  
+HETATM  846  O   HOH A 135      45.422   5.168  17.896  1.00 16.14           O  
+HETATM  847  O   HOH A 136      32.649 -10.068  14.698  1.00 19.22           O  
+HETATM  848  O   HOH A 137      29.286  -9.516  16.775  1.00 35.36           O  
+HETATM  849  O   HOH A 138      15.083  -7.279   7.213  1.00 16.86           O  
+HETATM  850  O   HOH A 139      22.162 -10.383  11.088  1.00 22.87           O  
+HETATM  851  O   HOH A 140      28.815   9.376  -0.939  1.00 24.32           O  
+HETATM  852  O   HOH A 141      15.320  -6.331  10.480  1.00 26.51           O  
+HETATM  853  O   HOH A 142      36.311  -6.684   0.169  1.00 26.80           O  
+HETATM  854  O   HOH A 143      14.799  -6.990  13.091  1.00 33.24           O  
+HETATM  855  O   HOH A 144      50.529   3.062  15.371  1.00 28.25           O  
+HETATM  856  O   HOH A 145      35.191   6.733  19.243  1.00 20.64           O  
+HETATM  857  O   HOH A 146      23.225  -2.888  18.867  1.00 25.34           O  
+HETATM  858  O   HOH A 147      22.940 -10.590  13.837  1.00 28.02           O  
+HETATM  859  O   HOH A 148      35.179   8.202  17.073  1.00 27.22           O  
+HETATM  860  O   HOH A 149      37.316  -3.828  19.446  1.00 15.87           O  
+HETATM  861  O   HOH A 150      17.370   0.139   9.238  1.00 20.64           O  
+HETATM  862  O   HOH A 151      15.745  -5.280  -4.415  1.00 20.45           O  
+HETATM  863  O   HOH A 152      21.603 -12.254   9.269  1.00 39.10           O  
+HETATM  864  O   HOH A 153      31.512  -5.149  -9.681  1.00 21.30           O  
+HETATM  865  O   HOH A 154      23.353 -12.930   6.767  1.00 16.78           O  
+HETATM  866  O   HOH A 155      38.981   4.672  23.177  1.00 31.98           O  
+HETATM  867  O   HOH A 156      30.741   4.766  24.022  1.00 25.76           O  
+HETATM  868  O   HOH A 157      47.348   0.711  15.003  1.00 31.26           O  
+HETATM  869  O   HOH A 158      40.859   5.556   6.768  1.00 26.22           O  
+HETATM  870  O   HOH A 159      24.920  -6.644  -5.622  1.00 28.49           O  
+HETATM  871  O   HOH A 160      42.689  -3.341  11.282  1.00 13.20           O  
+HETATM  872  O   HOH A 161      43.450  -4.282   8.872  1.00 16.03           O  
+HETATM  873  O   HOH A 162      41.366  -5.599  12.248  1.00 28.32           O  
+HETATM  874  O   HOH A 163      37.539  11.948  11.093  1.00 16.78           O  
+HETATM  875  O   HOH A 164      30.470  11.076  18.503  1.00 24.84           O  
+HETATM  876  O   HOH A 165      38.656  -6.463   7.908  1.00 24.11           O  
+HETATM  877  O   HOH A 166      22.859   7.860  18.955  1.00 27.98           O  
+HETATM  878  O   HOH A 167      19.483  -1.627  15.208  1.00 19.63           O  
+HETATM  879  O   HOH A 168      34.233  -9.382   8.181  1.00 21.53           O  
+HETATM  880  O   HOH A 169      28.970   9.577  20.204  1.00 24.25           O  
+HETATM  881  O   HOH A 170      25.090  -2.159 -14.529  1.00 20.05           O  
+HETATM  882  O   HOH A 171      53.044  11.300   9.946  1.00 28.11           O  
+HETATM  883  O   HOH A 172      23.760   0.694  20.314  1.00 23.87           O  
+HETATM  884  O   HOH A 173      36.689   3.227  -0.745  1.00 25.94           O  
+HETATM  885  O   HOH A 174      13.143  -5.401 -10.333  1.00 26.51           O  
+HETATM  886  O   HOH A 175      25.428  -8.920   5.666  1.00 22.87           O  
+HETATM  887  O   HOH A 176      37.854   0.125   0.233  0.50 18.09           O  
+HETATM  888  O   HOH A 177      51.471  12.069  12.709  1.00 32.91           O  
+HETATM  889  O   HOH A 178      38.418  -6.752  12.554  1.00 25.99           O  
+HETATM  890  O   HOH A 179      15.106  -1.805   0.979  1.00 15.92           O  
+HETATM  891  O   HOH A 180      13.640  -4.196  -0.586  1.00 21.29           O  
+HETATM  892  O   HOH A 181      31.574  11.766   3.560  1.00 27.86           O  
+HETATM  893  O   HOH A 182      18.112  -0.216   6.606  1.00 29.48           O  
+HETATM  894  O   HOH A 183      45.311   1.241  12.154  1.00 17.03           O  
+HETATM  895  O   HOH A 184      27.210   7.357  23.936  1.00 29.09           O  
+HETATM  896  O   HOH A 185      15.746  -4.442  12.629  1.00 28.14           O  
+HETATM  897  O   HOH A 186      44.818   0.360  15.680  1.00 20.79           O  
+HETATM  898  O   HOH A 187      45.295   8.001  17.691  1.00 36.02           O  
+HETATM  899  O   HOH A 188      12.926   3.195   0.724  1.00 24.33           O  
+HETATM  900  O   HOH A 189      16.405  -1.555   5.134  1.00 29.40           O  
+HETATM  901  O   HOH A 190      37.111   9.954  18.786  1.00 34.22           O  
+HETATM  902  O   HOH A 191      34.359  11.528   2.727  1.00 40.57           O  
+HETATM  903  O   HOH A 192      42.172  -5.220   6.490  1.00 21.00           O  
+HETATM  904  O   HOH A 193      32.443   4.036  26.249  1.00 42.07           O  
+HETATM  905  O   HOH A 194      28.949 -10.732  12.970  1.00 34.78           O  
+HETATM  906  O   HOH A 195      21.600  -4.764  17.572  1.00 35.35           O  
+HETATM  907  O   HOH A 196      15.985  -7.726 -11.734  1.00 21.50           O  
+HETATM  908  O   HOH A 197      26.970  -1.815  25.673  1.00 32.86           O  
+HETATM  909  O   HOH A 198      22.124  -7.793  16.334  1.00 25.24           O  
+HETATM  910  O   HOH A 199      25.284   6.901  21.278  1.00 27.03           O  
+HETATM  911  O   HOH A 200      26.957   3.158  28.081  1.00 29.22           O  
+HETATM  912  O   HOH A 201      28.369  11.465   2.295  1.00 35.05           O  
+HETATM  913  O   HOH A 202      31.934  -6.634  -5.393  1.00 27.66           O  
+HETATM  914  O   HOH A 203      18.470  -5.133   9.301  1.00 17.27           O  
+CONECT  211  674                                                                
+CONECT  674  211                                                                
+CONECT  704  811                                                                
+CONECT  728  811                                                                
+CONECT  811  704  728  834  849                                                 
+CONECT  811  852  914                                                           
+CONECT  834  811                                                                
+CONECT  849  811                                                                
+CONECT  852  811                                                                
+CONECT  914  811                                                                
+MASTER      266    0    1    1    8    0    2    6  913    1   10    8          
+END                                                                             
diff --git a/tests/protein_ligand/test_data/3v1w.pdb b/tests/protein_ligand/test_data/3v1w.pdb
new file mode 100644
index 000000000..a780f95a1
--- /dev/null
+++ b/tests/protein_ligand/test_data/3v1w.pdb
@@ -0,0 +1,4072 @@
+HEADER    CALCIUM BINDING PROTEIN                 10-DEC-11   3V1W              
+TITLE     MOLECULAR BASIS FOR MULTIPLE LIGAND BINDING OF CALSEQUESTRIN AND      
+TITLE    2 POTENTIAL INHIBITION BY CAFFEINE AND GALLOCATECIN                    
+COMPND    MOL_ID: 1;                                                            
+COMPND   2 MOLECULE: CALSEQUESTRIN-1;                                           
+COMPND   3 CHAIN: A;                                                            
+COMPND   4 SYNONYM: ASPARTACTIN, CALSEQUESTRIN, SKELETAL MUSCLE ISOFORM,        
+COMPND   5 LAMININ-BINDING PROTEIN                                              
+SOURCE    MOL_ID: 1;                                                            
+SOURCE   2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS;                          
+SOURCE   3 ORGANISM_COMMON: EUROPEAN RABBIT,JAPANESE WHITE RABBIT,DOMESTIC      
+SOURCE   4 RABBIT,RABBITS;                                                      
+SOURCE   5 ORGANISM_TAXID: 9986                                                 
+KEYWDS    THIOREDOXIN FOLD, CALCIUM BINDING PROTEIN                             
+EXPDTA    X-RAY DIFFRACTION                                                     
+AUTHOR    A.K.SUBRAMANIAN,M.N.NISSEN,K.M.LEWIS,E.J.SANCHEZ,A.K.MURALIDHARAN,    
+AUTHOR   2 C.KANG                                                               
+REVDAT   2   29-JUL-20 3V1W    1       COMPND REMARK HETNAM LINK                
+REVDAT   2 2                   1       SITE   ATOM                              
+REVDAT   1   12-DEC-12 3V1W    0                                                
+JRNL        AUTH   A.K.SUBRAMANIAN,M.N.NISSEN,K.M.LEWIS,E.J.SANCHEZ,            
+JRNL        AUTH 2 A.K.MURALIDHARAN,C.KANG                                      
+JRNL        TITL   MOLECULAR BASIS FOR MULTIPLE LIGAND BINDING OF CALSEQUESTRIN 
+JRNL        TITL 2 AND POTENTIAL INHIBITION BY CAFFEINE AND GALLOCATECIN        
+JRNL        REF    TO BE PUBLISHED                                              
+JRNL        REFN                                                                
+REMARK   2                                                                      
+REMARK   2 RESOLUTION.    1.91 ANGSTROMS.                                       
+REMARK   3                                                                      
+REMARK   3 REFINEMENT.                                                          
+REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.6.1_357)                    
+REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
+REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
+REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
+REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
+REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
+REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
+REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
+REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
+REMARK   3                                                                      
+REMARK   3    REFINEMENT TARGET : ML                                            
+REMARK   3                                                                      
+REMARK   3  DATA USED IN REFINEMENT.                                            
+REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.91                           
+REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 38.95                          
+REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.160                          
+REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.6                           
+REMARK   3   NUMBER OF REFLECTIONS             : 36846                          
+REMARK   3                                                                      
+REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
+REMARK   3   R VALUE     (WORKING + TEST SET) : 0.174                           
+REMARK   3   R VALUE            (WORKING SET) : 0.171                           
+REMARK   3   FREE R VALUE                     : 0.222                           
+REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.380                           
+REMARK   3   FREE R VALUE TEST SET COUNT      : 1981                            
+REMARK   3                                                                      
+REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
+REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
+REMARK   3     1 38.9578 -  4.5963    0.99     2671   153  0.1727 0.2257        
+REMARK   3     2  4.5963 -  3.6491    1.00     2574   145  0.1469 0.1773        
+REMARK   3     3  3.6491 -  3.1880    1.00     2530   145  0.1517 0.2024        
+REMARK   3     4  3.1880 -  2.8967    1.00     2531   144  0.1805 0.1953        
+REMARK   3     5  2.8967 -  2.6891    1.00     2512   142  0.1880 0.2614        
+REMARK   3     6  2.6891 -  2.5306    0.99     2509   142  0.1832 0.2462        
+REMARK   3     7  2.5306 -  2.4039    0.99     2506   142  0.1870 0.2492        
+REMARK   3     8  2.4039 -  2.2992    0.99     2464   141  0.1707 0.2306        
+REMARK   3     9  2.2992 -  2.2107    0.99     2469   140  0.1799 0.2392        
+REMARK   3    10  2.2107 -  2.1345    0.98     2465   139  0.1673 0.2579        
+REMARK   3    11  2.1345 -  2.0677    0.99     2465   140  0.1730 0.2388        
+REMARK   3    12  2.0677 -  2.0086    0.98     2443   139  0.1695 0.2721        
+REMARK   3    13  2.0086 -  1.9557    0.98     2442   138  0.1840 0.2291        
+REMARK   3    14  1.9557 -  1.9080    0.92     2284   131  0.1795 0.2529        
+REMARK   3                                                                      
+REMARK   3  BULK SOLVENT MODELLING.                                             
+REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
+REMARK   3   SOLVENT RADIUS     : 1.11                                          
+REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
+REMARK   3   K_SOL              : 0.33                                          
+REMARK   3   B_SOL              : 42.83                                         
+REMARK   3                                                                      
+REMARK   3  ERROR ESTIMATES.                                                    
+REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.240            
+REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.040           
+REMARK   3                                                                      
+REMARK   3  B VALUES.                                                           
+REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
+REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
+REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
+REMARK   3    B11 (A**2) : -3.99850                                             
+REMARK   3    B22 (A**2) : 1.32850                                              
+REMARK   3    B33 (A**2) : 2.67000                                              
+REMARK   3    B12 (A**2) : 0.00000                                              
+REMARK   3    B13 (A**2) : 0.00000                                              
+REMARK   3    B23 (A**2) : 0.00000                                              
+REMARK   3                                                                      
+REMARK   3  TWINNING INFORMATION.                                               
+REMARK   3   FRACTION: NULL                                                     
+REMARK   3   OPERATOR: NULL                                                     
+REMARK   3                                                                      
+REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
+REMARK   3                 RMSD          COUNT                                  
+REMARK   3   BOND      :  0.014           3018                                  
+REMARK   3   ANGLE     :  1.122           4139                                  
+REMARK   3   CHIRALITY :  0.082            443                                  
+REMARK   3   PLANARITY :  0.005            536                                  
+REMARK   3   DIHEDRAL  : 16.311           1128                                  
+REMARK   3                                                                      
+REMARK   3  TLS DETAILS                                                         
+REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
+REMARK   3                                                                      
+REMARK   3  NCS DETAILS                                                         
+REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
+REMARK   3                                                                      
+REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
+REMARK   4                                                                      
+REMARK   4 3V1W COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
+REMARK 100                                                                      
+REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JAN-12.                  
+REMARK 100 THE DEPOSITION ID IS D_1000069490.                                   
+REMARK 200                                                                      
+REMARK 200 EXPERIMENTAL DETAILS                                                 
+REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
+REMARK 200  DATE OF DATA COLLECTION        : NULL                               
+REMARK 200  TEMPERATURE           (KELVIN) : NULL                               
+REMARK 200  PH                             : NULL                               
+REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
+REMARK 200                                                                      
+REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
+REMARK 200  RADIATION SOURCE               : ALS                                
+REMARK 200  BEAMLINE                       : 8.2.1                              
+REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
+REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
+REMARK 200  WAVELENGTH OR RANGE        (A) : 1.000                              
+REMARK 200  MONOCHROMATOR                  : NULL                               
+REMARK 200  OPTICS                         : NULL                               
+REMARK 200                                                                      
+REMARK 200  DETECTOR TYPE                  : NULL                               
+REMARK 200  DETECTOR MANUFACTURER          : NULL                               
+REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
+REMARK 200  DATA SCALING SOFTWARE          : NULL                               
+REMARK 200                                                                      
+REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 36850                              
+REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.908                              
+REMARK 200  RESOLUTION RANGE LOW       (A) : 44.015                             
+REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
+REMARK 200                                                                      
+REMARK 200 OVERALL.                                                             
+REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
+REMARK 200  DATA REDUNDANCY                : NULL                               
+REMARK 200  R MERGE                    (I) : NULL                               
+REMARK 200  R SYM                      (I) : NULL                               
+REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
+REMARK 200                                                                      
+REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
+REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
+REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
+REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
+REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
+REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
+REMARK 200  R SYM FOR SHELL            (I) : NULL                               
+REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
+REMARK 200                                                                      
+REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
+REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
+REMARK 200 SOFTWARE USED: NULL                                                  
+REMARK 200 STARTING MODEL: PDB ENTRY 3TRQ                                       
+REMARK 200                                                                      
+REMARK 200 REMARK: NULL                                                         
+REMARK 280                                                                      
+REMARK 280 CRYSTAL                                                              
+REMARK 280 SOLVENT CONTENT, VS   (%): 55.92                                     
+REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.79                     
+REMARK 280                                                                      
+REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
+REMARK 290                                                                      
+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
+REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21                         
+REMARK 290                                                                      
+REMARK 290      SYMOP   SYMMETRY                                                
+REMARK 290     NNNMMM   OPERATOR                                                
+REMARK 290       1555   X,Y,Z                                                   
+REMARK 290       2555   -X,-Y,Z+1/2                                             
+REMARK 290       3555   -X,Y,-Z+1/2                                             
+REMARK 290       4555   X,-Y,-Z                                                 
+REMARK 290       5555   X+1/2,Y+1/2,Z                                           
+REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
+REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
+REMARK 290       8555   X+1/2,-Y+1/2,-Z                                         
+REMARK 290                                                                      
+REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
+REMARK 290           MMM -> TRANSLATION VECTOR                                  
+REMARK 290                                                                      
+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
+REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
+REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
+REMARK 290 RELATED MOLECULES.                                                   
+REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
+REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       55.48250            
+REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       55.48250            
+REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
+REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       29.54100            
+REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       72.29600            
+REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000            
+REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       29.54100            
+REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       72.29600            
+REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       55.48250            
+REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       29.54100            
+REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       72.29600            
+REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       55.48250            
+REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       29.54100            
+REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       72.29600            
+REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
+REMARK 290                                                                      
+REMARK 290 REMARK: NULL                                                         
+REMARK 300                                                                      
+REMARK 300 BIOMOLECULE: 1, 2                                                    
+REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
+REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
+REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
+REMARK 300 BURIED SURFACE AREA.                                                 
+REMARK 350                                                                      
+REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
+REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
+REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
+REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
+REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
+REMARK 350                                                                      
+REMARK 350 BIOMOLECULE: 1                                                       
+REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
+REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
+REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
+REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
+REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
+REMARK 350                                                                      
+REMARK 350 BIOMOLECULE: 2                                                       
+REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
+REMARK 350 SOFTWARE USED: PISA                                                  
+REMARK 350 TOTAL BURIED SURFACE AREA: 9120 ANGSTROM**2                          
+REMARK 350 SURFACE AREA OF THE COMPLEX: 34060 ANGSTROM**2                       
+REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -195.0 KCAL/MOL                       
+REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
+REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
+REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
+REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
+REMARK 350   BIOMT1   2 -1.000000  0.000000  0.000000       59.08200            
+REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000        0.00000            
+REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000      166.44750            
+REMARK 465                                                                      
+REMARK 465 MISSING RESIDUES                                                     
+REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
+REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
+REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
+REMARK 465                                                                      
+REMARK 465   M RES C SSSEQI                                                     
+REMARK 465     GLU A     1                                                      
+REMARK 465     ILE A   351                                                      
+REMARK 465     ASN A   352                                                      
+REMARK 465     THR A   353                                                      
+REMARK 465     GLU A   354                                                      
+REMARK 465     ASP A   355                                                      
+REMARK 465     ASP A   356                                                      
+REMARK 465     ASP A   357                                                      
+REMARK 465     ASP A   358                                                      
+REMARK 465     GLU A   359                                                      
+REMARK 465     ASP A   360                                                      
+REMARK 465     ASP A   361                                                      
+REMARK 465     ASP A   362                                                      
+REMARK 465     ASP A   363                                                      
+REMARK 465     ASP A   364                                                      
+REMARK 465     ASP A   365                                                      
+REMARK 465     ASP A   366                                                      
+REMARK 465     ASP A   367                                                      
+REMARK 470                                                                      
+REMARK 470 MISSING ATOM                                                         
+REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
+REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
+REMARK 470 I=INSERTION CODE):                                                   
+REMARK 470   M RES CSSEQI  ATOMS                                                
+REMARK 470     GLU A   2    CG   CD   OE1  OE2                                  
+REMARK 470     GLU A 350    CG   CD   OE1  OE2                                  
+REMARK 480                                                                      
+REMARK 480 ZERO OCCUPANCY ATOM                                                  
+REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO                  
+REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS                
+REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;              
+REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
+REMARK 480   M RES C SSEQI ATOMS                                                
+REMARK 480     GLU A  348   CD                                                  
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
+REMARK 500                                                                      
+REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
+REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
+REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
+REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
+REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
+REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
+REMARK 500                                                                      
+REMARK 500 DISTANCE CUTOFF:                                                     
+REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
+REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
+REMARK 500                                                                      
+REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
+REMARK 500   OE2  GLU A    52     OE2  GLU A    52     3656     2.16            
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: TORSION ANGLES                                             
+REMARK 500                                                                      
+REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
+REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
+REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
+REMARK 500                                                                      
+REMARK 500 STANDARD TABLE:                                                      
+REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
+REMARK 500                                                                      
+REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
+REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
+REMARK 500                                                                      
+REMARK 500  M RES CSSEQI        PSI       PHI                                   
+REMARK 500    GLU A  78      -64.58   -103.97                                   
+REMARK 500    GLU A 100     -115.64     50.81                                   
+REMARK 500    ASP A 210       34.34     70.53                                   
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 620                                                                      
+REMARK 620 METAL COORDINATION                                                   
+REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
+REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
+REMARK 620                                                                      
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
+REMARK 620                              CA A 406  CA                            
+REMARK 620 N RES CSSEQI ATOM                                                    
+REMARK 620 1 ASN A  17   OD1                                                    
+REMARK 620 2 VAL A  18   O   110.2                                              
+REMARK 620 3 LEU A  74   O   123.3  88.7                                        
+REMARK 620 4 ASP A  80   OD2 118.2  82.5 116.9                                  
+REMARK 620 5 HOH A 501   O    76.8 172.7  88.8  92.5                            
+REMARK 620 N                    1     2     3     4                             
+REMARK 620                                                                      
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
+REMARK 620                              NA A 410  NA                            
+REMARK 620 N RES CSSEQI ATOM                                                    
+REMARK 620 1 PRO A 172   O                                                      
+REMARK 620 2 HOH A 856   O    83.2                                              
+REMARK 620 3 HOH A 865   O    95.4 102.2                                        
+REMARK 620 4 HOH A 874   O   160.2  78.2  81.9                                  
+REMARK 620 5 HOH A 924   O    98.0  77.1 166.3  84.5                            
+REMARK 620 6 HOH A1007   O   114.5 159.5  86.8  85.0  89.9                      
+REMARK 620 N                    1     2     3     4     5                       
+REMARK 620                                                                      
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
+REMARK 620                              CA A 408  CA                            
+REMARK 620 N RES CSSEQI ATOM                                                    
+REMARK 620 1 THR A 189   O                                                      
+REMARK 620 2 THR A 189   OG1  68.5                                              
+REMARK 620 3 HOH A 520   O    89.6 128.8                                        
+REMARK 620 4 HOH A 581   O   130.7  80.2  81.3                                  
+REMARK 620 5 HOH A 621   O    65.7 125.4  78.8 154.1                            
+REMARK 620 6 HOH A 876   O   117.5 100.0 130.7 104.3  77.1                      
+REMARK 620 N                    1     2     3     4     5                       
+REMARK 620                                                                      
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
+REMARK 620                              CA A 407  CA                            
+REMARK 620 N RES CSSEQI ATOM                                                    
+REMARK 620 1 GLU A 199   OE1                                                    
+REMARK 620 2 GLU A 199   OE2  53.5                                              
+REMARK 620 3 THR A 229   OG1 131.4  77.9                                        
+REMARK 620 4 THR A 277   OG1  81.1  94.4 103.2                                  
+REMARK 620 5 THR A 277   O   139.9 160.3  86.6  77.1                            
+REMARK 620 6 HOH A 731   O    83.0 133.0 142.6  95.6  66.3                      
+REMARK 620 7 HOH A 875   O    99.0 107.4  96.8 153.1  86.4  57.9                
+REMARK 620 N                    1     2     3     4     5     6                 
+REMARK 620                                                                      
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
+REMARK 620                              CA A 409  CA                            
+REMARK 620 N RES CSSEQI ATOM                                                    
+REMARK 620 1 ASP A 210   O                                                      
+REMARK 620 2 PRO A 212   O    81.7                                              
+REMARK 620 3 GLU A 217   OE1 113.4  95.2                                        
+REMARK 620 4 GLU A 217   OE2 117.3 143.6  49.5                                  
+REMARK 620 5 HOH A 660   O   158.3  80.2  80.2  84.3                            
+REMARK 620 6 HOH A 943   O   100.9 154.7 106.5  57.0  90.5                      
+REMARK 620 7 HOH A1008   O    83.6  82.8 162.5 127.5  82.4  72.6                
+REMARK 620 N                    1     2     3     4     5     6                 
+REMARK 620                                                                      
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
+REMARK 620                              NA A 411  NA                            
+REMARK 620 N RES CSSEQI ATOM                                                    
+REMARK 620 1 GLY A 248   O                                                      
+REMARK 620 2 ASN A 316   OD1  76.1                                              
+REMARK 620 3 THR A 318   OG1 132.4  75.7                                        
+REMARK 620 4 HOH A1009   O   120.7 116.6 106.1                                  
+REMARK 620 N                    1     2     3                                   
+DBREF  3V1W A    1   367  UNP    P07221   CASQ1_RABIT     29    395             
+SEQRES   1 A  367  GLU GLU GLY LEU ASP PHE PRO GLU TYR ASP GLY VAL ASP          
+SEQRES   2 A  367  ARG VAL ILE ASN VAL ASN ALA LYS ASN TYR LYS ASN VAL          
+SEQRES   3 A  367  PHE LYS LYS TYR GLU VAL LEU ALA LEU LEU TYR HIS GLU          
+SEQRES   4 A  367  PRO PRO GLU ASP ASP LYS ALA SER GLN ARG GLN PHE GLU          
+SEQRES   5 A  367  MET GLU GLU LEU ILE LEU GLU LEU ALA ALA GLN VAL LEU          
+SEQRES   6 A  367  GLU ASP LYS GLY VAL GLY PHE GLY LEU VAL ASP SER GLU          
+SEQRES   7 A  367  LYS ASP ALA ALA VAL ALA LYS LYS LEU GLY LEU THR GLU          
+SEQRES   8 A  367  GLU ASP SER ILE TYR VAL PHE LYS GLU ASP GLU VAL ILE          
+SEQRES   9 A  367  GLU TYR ASP GLY GLU PHE SER ALA ASP THR LEU VAL GLU          
+SEQRES  10 A  367  PHE LEU LEU ASP VAL LEU GLU ASP PRO VAL GLU LEU ILE          
+SEQRES  11 A  367  GLU GLY GLU ARG GLU LEU GLN ALA PHE GLU ASN ILE GLU          
+SEQRES  12 A  367  ASP GLU ILE LYS LEU ILE GLY TYR PHE LYS ASN LYS ASP          
+SEQRES  13 A  367  SER GLU HIS TYR LYS ALA PHE LYS GLU ALA ALA GLU GLU          
+SEQRES  14 A  367  PHE HIS PRO TYR ILE PRO PHE PHE ALA THR PHE ASP SER          
+SEQRES  15 A  367  LYS VAL ALA LYS LYS LEU THR LEU LYS LEU ASN GLU ILE          
+SEQRES  16 A  367  ASP PHE TYR GLU ALA PHE MET GLU GLU PRO VAL THR ILE          
+SEQRES  17 A  367  PRO ASP LYS PRO ASN SER GLU GLU GLU ILE VAL ASN PHE          
+SEQRES  18 A  367  VAL GLU GLU HIS ARG ARG SER THR LEU ARG LYS LEU LYS          
+SEQRES  19 A  367  PRO GLU SER MET TYR GLU THR TRP GLU ASP ASP MET ASP          
+SEQRES  20 A  367  GLY ILE HIS ILE VAL ALA PHE ALA GLU GLU ALA ASP PRO          
+SEQRES  21 A  367  ASP GLY TYR GLU PHE LEU GLU ILE LEU LYS SER VAL ALA          
+SEQRES  22 A  367  GLN ASP ASN THR ASP ASN PRO ASP LEU SER ILE ILE TRP          
+SEQRES  23 A  367  ILE ASP PRO ASP ASP PHE PRO LEU LEU VAL PRO TYR TRP          
+SEQRES  24 A  367  GLU LYS THR PHE ASP ILE ASP LEU SER ALA PRO GLN ILE          
+SEQRES  25 A  367  GLY VAL VAL ASN VAL THR ASP ALA ASP SER VAL TRP MET          
+SEQRES  26 A  367  GLU MET ASP ASP GLU GLU ASP LEU PRO SER ALA GLU GLU          
+SEQRES  27 A  367  LEU GLU ASP TRP LEU GLU ASP VAL LEU GLU GLY GLU ILE          
+SEQRES  28 A  367  ASN THR GLU ASP ASP ASP ASP GLU ASP ASP ASP ASP ASP          
+SEQRES  29 A  367  ASP ASP ASP                                                  
+MODRES 3V1W ASN A  316  ASN  GLYCOSYLATION SITE                                 
+HET    NAG  B   1      14                                                       
+HET    NAG  B   2      14                                                       
+HET    MPD  A 403       8                                                       
+HET    MPD  A 404       8                                                       
+HET    MRD  A 405       8                                                       
+HET     CA  A 406       1                                                       
+HET     CA  A 407       1                                                       
+HET     CA  A 408       1                                                       
+HET     CA  A 409       1                                                       
+HET     NA  A 410       1                                                       
+HET     NA  A 411       1                                                       
+HETNAM     NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE                         
+HETNAM     MPD (4S)-2-METHYL-2,4-PENTANEDIOL                                    
+HETNAM     MRD (4R)-2-METHYLPENTANE-2,4-DIOL                                    
+HETNAM      CA CALCIUM ION                                                      
+HETNAM      NA SODIUM ION                                                       
+FORMUL   2  NAG    2(C8 H15 N O6)                                               
+FORMUL   3  MPD    2(C6 H14 O2)                                                 
+FORMUL   5  MRD    C6 H14 O2                                                    
+FORMUL   6   CA    4(CA 2+)                                                     
+FORMUL  10   NA    2(NA 1+)                                                     
+FORMUL  12  HOH   *514(H2 O)                                                    
+HELIX    1   1 ASN A   22  TYR A   30  1                                   9    
+HELIX    2   2 ASP A   44  LEU A   65  1                                  22    
+HELIX    3   3 ASP A   80  GLY A   88  1                                   9    
+HELIX    4   4 SER A  111  GLU A  124  1                                  14    
+HELIX    5   5 GLY A  132  ILE A  142  1                                  11    
+HELIX    6   6 SER A  157  HIS A  171  1                                  15    
+HELIX    7   7 ASP A  181  THR A  189  1                                   9    
+HELIX    8   8 SER A  214  HIS A  225  1                                  12    
+HELIX    9   9 LYS A  234  GLU A  236  5                                   3    
+HELIX   10  10 SER A  237  ASP A  244  1                                   8    
+HELIX   11  11 ASP A  259  ASN A  276  1                                  18    
+HELIX   12  12 ASP A  288  PHE A  292  5                                   5    
+HELIX   13  13 LEU A  295  ASP A  304  1                                  10    
+HELIX   14  14 SER A  335  GLU A  350  1                                  16    
+SHEET    1   A 5 ILE A  16  ASN A  17  0                                        
+SHEET    2   A 5 VAL A  70  ASP A  76  1  O  PHE A  72   N  ILE A  16           
+SHEET    3   A 5 VAL A  32  HIS A  38  1  N  LEU A  36   O  VAL A  75           
+SHEET    4   A 5 SER A  94  LYS A  99 -1  O  TYR A  96   N  LEU A  35           
+SHEET    5   A 5 GLU A 102  GLU A 105 -1  O  ILE A 104   N  VAL A  97           
+SHEET    1   B 5 VAL A 127  LEU A 129  0                                        
+SHEET    2   B 5 PHE A 176  THR A 179  1  O  PHE A 176   N  GLU A 128           
+SHEET    3   B 5 LYS A 147  TYR A 151  1  N  LEU A 148   O  PHE A 177           
+SHEET    4   B 5 ILE A 195  TYR A 198 -1  O  TYR A 198   N  LYS A 147           
+SHEET    5   B 5 VAL A 206  THR A 207 -1  O  VAL A 206   N  PHE A 197           
+SHEET    1   C 5 LEU A 230  LYS A 232  0                                        
+SHEET    2   C 5 ILE A 284  ILE A 287  1  O  TRP A 286   N  ARG A 231           
+SHEET    3   C 5 ILE A 249  PHE A 254  1  N  ALA A 253   O  ILE A 287           
+SHEET    4   C 5 GLN A 311  ASN A 316 -1  O  VAL A 315   N  HIS A 250           
+SHEET    5   C 5 SER A 322  TRP A 324 -1  O  VAL A 323   N  VAL A 314           
+LINK         ND2 ASN A 316                 C1  NAG B   1     1555   1555  1.41  
+LINK         O4  NAG B   1                 C1  NAG B   2     1555   1555  1.44  
+LINK         OD1 ASN A  17                CA    CA A 406     1555   1555  2.30  
+LINK         O   VAL A  18                CA    CA A 406     1555   1555  2.50  
+LINK         O   LEU A  74                CA    CA A 406     1555   1555  2.46  
+LINK         OD2 ASP A  80                CA    CA A 406     1555   1555  2.47  
+LINK         O   PRO A 172                NA    NA A 410     1555   1555  2.15  
+LINK         O   THR A 189                CA    CA A 408     1555   1555  2.23  
+LINK         OG1 THR A 189                CA    CA A 408     1555   1555  2.57  
+LINK         OE1 GLU A 199                CA    CA A 407     1555   1555  2.43  
+LINK         OE2 GLU A 199                CA    CA A 407     1555   1555  2.45  
+LINK         O   ASP A 210                CA    CA A 409     1555   1555  2.36  
+LINK         O   PRO A 212                CA    CA A 409     1555   1555  2.40  
+LINK         OE1 GLU A 217                CA    CA A 409     1555   1555  2.44  
+LINK         OE2 GLU A 217                CA    CA A 409     1555   1555  2.71  
+LINK         OG1 THR A 229                CA    CA A 407     1555   1555  2.41  
+LINK         O   GLY A 248                NA    NA A 411     1555   1555  3.16  
+LINK         OG1 THR A 277                CA    CA A 407     1555   1555  2.36  
+LINK         O   THR A 277                CA    CA A 407     1555   1555  2.49  
+LINK         OD1 ASN A 316                NA    NA A 411     1555   1555  3.03  
+LINK         OG1 THR A 318                NA    NA A 411     1555   1555  2.45  
+LINK        CA    CA A 406                 O   HOH A 501     1555   1555  2.56  
+LINK        CA    CA A 407                 O   HOH A 731     1555   1555  3.12  
+LINK        CA    CA A 407                 O   HOH A 875     1555   1555  2.35  
+LINK        CA    CA A 408                 O   HOH A 520     1555   1555  2.36  
+LINK        CA    CA A 408                 O   HOH A 581     1555   1555  2.40  
+LINK        CA    CA A 408                 O   HOH A 621     1555   1555  2.93  
+LINK        CA    CA A 408                 O   HOH A 876     1555   1555  2.35  
+LINK        CA    CA A 409                 O   HOH A 660     1555   1555  2.41  
+LINK        CA    CA A 409                 O   HOH A 943     1555   1555  2.26  
+LINK        CA    CA A 409                 O   HOH A1008     1555   1555  2.34  
+LINK        NA    NA A 410                 O   HOH A 856     1555   1555  2.47  
+LINK        NA    NA A 410                 O   HOH A 865     1555   1555  2.41  
+LINK        NA    NA A 410                 O   HOH A 874     1555   1555  2.47  
+LINK        NA    NA A 410                 O   HOH A 924     1555   1555  2.37  
+LINK        NA    NA A 410                 O   HOH A1007     1555   1555  2.32  
+LINK        NA    NA A 411                 O   HOH A1009     1555   1555  2.38  
+CISPEP   1 HIS A  171    PRO A  172          0        -2.19                     
+CISPEP   2 LYS A  211    PRO A  212          0        -3.70                     
+CRYST1   59.082  144.592  110.965  90.00  90.00  90.00 C 2 2 21      8          
+ORIGX1      1.000000  0.000000  0.000000        0.00000                         
+ORIGX2      0.000000  1.000000  0.000000        0.00000                         
+ORIGX3      0.000000  0.000000  1.000000        0.00000                         
+SCALE1      0.016926  0.000000  0.000000        0.00000                         
+SCALE2      0.000000  0.006916  0.000000        0.00000                         
+SCALE3      0.000000  0.000000  0.009012        0.00000                         
+ATOM      1  N   GLU A   2      37.639  75.551  57.223  1.00 54.70           N  
+ATOM      2  CA  GLU A   2      38.473  74.425  57.631  0.42 55.84           C  
+ATOM      3  C   GLU A   2      39.565  74.865  58.605  0.65 48.57           C  
+ATOM      4  O   GLU A   2      40.621  74.236  58.696  1.00 60.89           O  
+ATOM      5  CB  GLU A   2      39.102  73.751  56.407  1.00 56.73           C  
+ATOM      6  N   GLY A   3      39.304  75.945  59.333  0.89 49.01           N  
+ATOM      7  CA  GLY A   3      40.287  76.499  60.247  0.89 38.62           C  
+ATOM      8  C   GLY A   3      40.499  75.680  61.513  0.89 41.18           C  
+ATOM      9  O   GLY A   3      39.804  74.698  61.764  0.89 34.39           O  
+ATOM     10  N   LEU A   4      41.477  76.095  62.309  1.00 32.39           N  
+ATOM     11  CA  LEU A   4      41.758  75.475  63.596  1.00 36.71           C  
+ATOM     12  C   LEU A   4      40.543  75.611  64.522  1.00 40.40           C  
+ATOM     13  O   LEU A   4      39.932  76.677  64.591  1.00 39.19           O  
+ATOM     14  CB  LEU A   4      42.986  76.149  64.219  1.00 30.34           C  
+ATOM     15  CG  LEU A   4      43.604  75.540  65.471  1.00 41.72           C  
+ATOM     16  CD1 LEU A   4      44.181  74.170  65.155  1.00 53.66           C  
+ATOM     17  CD2 LEU A   4      44.679  76.452  66.002  1.00 39.62           C  
+ATOM     18  N   ASP A   5      40.190  74.531  65.219  1.00 37.30           N  
+ATOM     19  CA  ASP A   5      39.069  74.542  66.162  1.00 41.69           C  
+ATOM     20  C   ASP A   5      39.413  75.394  67.383  1.00 37.37           C  
+ATOM     21  O   ASP A   5      40.587  75.478  67.761  1.00 33.21           O  
+ATOM     22  CB  ASP A   5      38.763  73.119  66.660  1.00 39.31           C  
+ATOM     23  CG  ASP A   5      38.118  72.232  65.598  1.00 49.82           C  
+ATOM     24  OD1 ASP A   5      37.320  72.733  64.772  1.00 43.53           O  
+ATOM     25  OD2 ASP A   5      38.402  71.016  65.611  1.00 43.79           O  
+ATOM     26  N   PHE A   6      38.399  76.004  68.005  1.00 35.06           N  
+ATOM     27  CA  PHE A   6      38.567  76.577  69.342  1.00 29.88           C  
+ATOM     28  C   PHE A   6      38.984  75.443  70.262  1.00 32.27           C  
+ATOM     29  O   PHE A   6      38.686  74.280  69.981  1.00 28.18           O  
+ATOM     30  CB  PHE A   6      37.248  77.154  69.877  1.00 24.56           C  
+ATOM     31  CG  PHE A   6      36.982  78.573  69.470  1.00 34.87           C  
+ATOM     32  CD1 PHE A   6      37.366  79.626  70.285  1.00 31.20           C  
+ATOM     33  CD2 PHE A   6      36.329  78.859  68.279  1.00 37.95           C  
+ATOM     34  CE1 PHE A   6      37.119  80.937  69.914  1.00 30.63           C  
+ATOM     35  CE2 PHE A   6      36.078  80.171  67.903  1.00 33.30           C  
+ATOM     36  CZ  PHE A   6      36.468  81.209  68.719  1.00 29.24           C  
+ATOM     37  N   PRO A   7      39.664  75.765  71.372  1.00 35.08           N  
+ATOM     38  CA  PRO A   7      39.974  74.703  72.339  1.00 27.70           C  
+ATOM     39  C   PRO A   7      38.678  73.993  72.742  1.00 26.45           C  
+ATOM     40  O   PRO A   7      37.616  74.601  72.730  1.00 28.59           O  
+ATOM     41  CB  PRO A   7      40.542  75.478  73.536  1.00 33.04           C  
+ATOM     42  CG  PRO A   7      41.066  76.756  72.945  1.00 29.03           C  
+ATOM     43  CD  PRO A   7      40.140  77.088  71.814  1.00 30.08           C  
+ATOM     44  N   GLU A   8      38.757  72.712  73.076  1.00 25.95           N  
+ATOM     45  CA  GLU A   8      37.583  71.984  73.521  1.00 22.30           C  
+ATOM     46  C   GLU A   8      38.026  71.040  74.629  1.00 23.17           C  
+ATOM     47  O   GLU A   8      39.176  70.616  74.654  1.00 23.58           O  
+ATOM     48  CB  GLU A   8      37.004  71.153  72.377  1.00 21.41           C  
+ATOM     49  CG  GLU A   8      37.943  70.040  71.919  1.00 26.79           C  
+ATOM     50  CD  GLU A   8      37.375  69.196  70.779  1.00 40.03           C  
+ATOM     51  OE1 GLU A   8      36.327  69.574  70.206  1.00 30.90           O  
+ATOM     52  OE2 GLU A   8      37.982  68.146  70.468  1.00 35.35           O  
+ATOM     53  N   TYR A   9      37.113  70.705  75.530  1.00 18.38           N  
+ATOM     54  CA  TYR A   9      37.375  69.628  76.480  1.00 18.85           C  
+ATOM     55  C   TYR A   9      37.785  68.364  75.715  1.00 19.35           C  
+ATOM     56  O   TYR A   9      37.071  67.930  74.819  1.00 23.04           O  
+ATOM     57  CB  TYR A   9      36.118  69.351  77.301  1.00 21.66           C  
+ATOM     58  CG  TYR A   9      36.205  68.096  78.136  1.00 18.11           C  
+ATOM     59  CD1 TYR A   9      37.204  67.934  79.085  1.00 18.11           C  
+ATOM     60  CD2 TYR A   9      35.265  67.082  77.993  1.00 20.59           C  
+ATOM     61  CE1 TYR A   9      37.276  66.783  79.852  1.00 18.67           C  
+ATOM     62  CE2 TYR A   9      35.318  65.937  78.768  1.00 18.49           C  
+ATOM     63  CZ  TYR A   9      36.332  65.789  79.685  1.00 23.08           C  
+ATOM     64  OH  TYR A   9      36.390  64.639  80.439  1.00 22.27           O  
+ATOM     65  N   ASP A  10      38.919  67.774  76.072  1.00 22.25           N  
+ATOM     66  CA  ASP A  10      39.477  66.669  75.277  1.00 21.81           C  
+ATOM     67  C   ASP A  10      39.169  65.276  75.816  1.00 27.16           C  
+ATOM     68  O   ASP A  10      39.585  64.287  75.229  1.00 25.44           O  
+ATOM     69  CB  ASP A  10      40.985  66.832  75.073  1.00 23.77           C  
+ATOM     70  CG  ASP A  10      41.778  66.765  76.383  1.00 25.33           C  
+ATOM     71  OD1 ASP A  10      41.201  66.461  77.450  1.00 22.44           O  
+ATOM     72  OD2 ASP A  10      42.998  67.002  76.337  1.00 23.12           O  
+ATOM     73  N   GLY A  11      38.431  65.196  76.921  1.00 21.88           N  
+ATOM     74  CA  GLY A  11      38.067  63.907  77.486  1.00 23.37           C  
+ATOM     75  C   GLY A  11      39.220  63.125  78.098  1.00 20.79           C  
+ATOM     76  O   GLY A  11      39.083  61.941  78.407  1.00 26.05           O  
+ATOM     77  N   VAL A  12      40.354  63.779  78.302  1.00 22.52           N  
+ATOM     78  CA  VAL A  12      41.487  63.107  78.932  1.00 22.73           C  
+ATOM     79  C   VAL A  12      41.449  63.330  80.440  1.00 28.29           C  
+ATOM     80  O   VAL A  12      41.314  64.464  80.897  1.00 25.04           O  
+ATOM     81  CB  VAL A  12      42.804  63.602  78.335  1.00 25.65           C  
+ATOM     82  CG1 VAL A  12      44.008  63.095  79.142  1.00 30.12           C  
+ATOM     83  CG2 VAL A  12      42.904  63.183  76.861  1.00 31.60           C  
+ATOM     84  N   ASP A  13      41.543  62.256  81.220  1.00 23.68           N  
+ATOM     85  CA  ASP A  13      41.454  62.396  82.678  1.00 26.11           C  
+ATOM     86  C   ASP A  13      42.714  62.954  83.329  1.00 27.05           C  
+ATOM     87  O   ASP A  13      43.822  62.512  83.050  1.00 23.89           O  
+ATOM     88  CB  ASP A  13      41.030  61.095  83.340  1.00 27.77           C  
+ATOM     89  CG  ASP A  13      39.599  60.745  83.031  1.00 32.83           C  
+ATOM     90  OD1 ASP A  13      38.876  61.605  82.471  1.00 30.85           O  
+ATOM     91  OD2 ASP A  13      39.188  59.616  83.351  1.00 29.38           O  
+ATOM     92  N   ARG A  14      42.514  63.943  84.193  1.00 17.94           N  
+ATOM     93  CA  ARG A  14      43.587  64.704  84.806  1.00 20.32           C  
+ATOM     94  C   ARG A  14      43.381  64.806  86.310  1.00 21.80           C  
+ATOM     95  O   ARG A  14      44.310  65.096  87.051  1.00 22.85           O  
+ATOM     96  CB  ARG A  14      43.647  66.127  84.233  1.00 21.24           C  
+ATOM     97  CG  ARG A  14      44.023  66.225  82.764  1.00 22.26           C  
+ATOM     98  CD  ARG A  14      44.042  67.675  82.309  1.00 24.08           C  
+ATOM     99  NE  ARG A  14      44.529  67.790  80.942  1.00 24.58           N  
+ATOM    100  CZ  ARG A  14      43.806  67.552  79.851  1.00 24.06           C  
+ATOM    101  NH1 ARG A  14      42.537  67.191  79.951  1.00 20.60           N  
+ATOM    102  NH2 ARG A  14      44.368  67.674  78.644  1.00 24.11           N  
+ATOM    103  N   VAL A  15      42.150  64.603  86.753  1.00 21.96           N  
+ATOM    104  CA  VAL A  15      41.848  64.688  88.171  1.00 21.05           C  
+ATOM    105  C   VAL A  15      42.413  63.443  88.851  1.00 24.75           C  
+ATOM    106  O   VAL A  15      42.123  62.325  88.443  1.00 20.76           O  
+ATOM    107  CB  VAL A  15      40.346  64.791  88.397  1.00 18.80           C  
+ATOM    108  CG1 VAL A  15      40.019  64.799  89.889  1.00 23.91           C  
+ATOM    109  CG2 VAL A  15      39.805  66.061  87.689  1.00 17.92           C  
+ATOM    110  N   ILE A  16      43.222  63.660  89.876  1.00 21.00           N  
+ATOM    111  CA  ILE A  16      43.966  62.584  90.528  1.00 24.15           C  
+ATOM    112  C   ILE A  16      43.185  61.952  91.660  1.00 24.08           C  
+ATOM    113  O   ILE A  16      42.602  62.644  92.489  1.00 22.69           O  
+ATOM    114  CB  ILE A  16      45.267  63.119  91.118  1.00 23.72           C  
+ATOM    115  CG1 ILE A  16      46.169  63.670  90.021  1.00 23.99           C  
+ATOM    116  CG2 ILE A  16      45.990  62.040  91.959  1.00 26.01           C  
+ATOM    117  CD1 ILE A  16      47.105  64.717  90.553  1.00 25.51           C  
+ATOM    118  N   ASN A  17      43.183  60.628  91.694  1.00 26.34           N  
+ATOM    119  CA  ASN A  17      42.709  59.905  92.855  1.00 30.83           C  
+ATOM    120  C   ASN A  17      43.772  60.024  93.938  1.00 33.37           C  
+ATOM    121  O   ASN A  17      44.748  59.272  93.938  1.00 27.61           O  
+ATOM    122  CB  ASN A  17      42.473  58.440  92.498  1.00 36.45           C  
+ATOM    123  CG  ASN A  17      42.019  57.618  93.685  1.00 42.06           C  
+ATOM    124  OD1 ASN A  17      41.349  58.121  94.580  1.00 38.59           O  
+ATOM    125  ND2 ASN A  17      42.383  56.338  93.696  1.00 58.69           N  
+ATOM    126  N   VAL A  18      43.603  60.996  94.833  1.00 26.70           N  
+ATOM    127  CA  VAL A  18      44.575  61.247  95.889  1.00 23.99           C  
+ATOM    128  C   VAL A  18      44.410  60.179  96.983  1.00 33.73           C  
+ATOM    129  O   VAL A  18      43.301  59.936  97.476  1.00 29.56           O  
+ATOM    130  CB  VAL A  18      44.420  62.676  96.458  1.00 26.23           C  
+ATOM    131  CG1 VAL A  18      45.306  62.899  97.678  1.00 20.17           C  
+ATOM    132  CG2 VAL A  18      44.736  63.721  95.372  1.00 29.36           C  
+ATOM    133  N   ASN A  19      45.506  59.520  97.344  1.00 30.23           N  
+ATOM    134  CA  ASN A  19      45.431  58.451  98.345  1.00 27.90           C  
+ATOM    135  C   ASN A  19      46.631  58.428  99.267  1.00 27.69           C  
+ATOM    136  O   ASN A  19      47.560  59.227  99.131  1.00 30.31           O  
+ATOM    137  CB  ASN A  19      45.271  57.087  97.673  1.00 29.25           C  
+ATOM    138  CG  ASN A  19      46.439  56.744  96.775  1.00 23.03           C  
+ATOM    139  OD1 ASN A  19      47.586  57.039  97.097  1.00 31.39           O  
+ATOM    140  ND2 ASN A  19      46.151  56.142  95.636  1.00 37.18           N  
+ATOM    141  N   ALA A  20      46.588  57.505 100.220  1.00 30.54           N  
+ATOM    142  CA  ALA A  20      47.630  57.388 101.216  1.00 29.91           C  
+ATOM    143  C   ALA A  20      48.989  57.310 100.527  1.00 27.73           C  
+ATOM    144  O   ALA A  20      49.948  57.941 100.958  1.00 29.33           O  
+ATOM    145  CB  ALA A  20      47.390  56.145 102.087  1.00 30.27           C  
+ATOM    146  N   LYS A  21      49.056  56.560  99.433  1.00 28.51           N  
+ATOM    147  CA  LYS A  21      50.349  56.309  98.800  1.00 30.40           C  
+ATOM    148  C   LYS A  21      50.890  57.488  97.991  1.00 32.29           C  
+ATOM    149  O   LYS A  21      52.100  57.662  97.881  1.00 32.71           O  
+ATOM    150  CB  LYS A  21      50.304  55.016  97.981  1.00 33.38           C  
+ATOM    151  CG  LYS A  21      50.085  53.777  98.866  1.00 41.58           C  
+ATOM    152  CD  LYS A  21      50.244  52.462  98.108  1.00 55.90           C  
+ATOM    153  CE  LYS A  21      50.191  51.268  99.066  1.00 66.99           C  
+ATOM    154  NZ  LYS A  21      50.153  49.946  98.370  1.00 61.50           N  
+ATOM    155  N   ASN A  22      50.009  58.330  97.459  1.00 31.43           N  
+ATOM    156  CA  ASN A  22      50.490  59.387  96.571  1.00 25.19           C  
+ATOM    157  C   ASN A  22      50.368  60.828  97.066  1.00 27.40           C  
+ATOM    158  O   ASN A  22      50.933  61.736  96.462  1.00 26.62           O  
+ATOM    159  CB  ASN A  22      49.860  59.248  95.183  1.00 25.68           C  
+ATOM    160  CG  ASN A  22      48.395  59.584  95.174  1.00 28.54           C  
+ATOM    161  OD1 ASN A  22      47.885  60.231  96.095  1.00 24.04           O  
+ATOM    162  ND2 ASN A  22      47.695  59.128  94.141  1.00 27.10           N  
+ATOM    163  N   TYR A  23      49.644  61.053  98.155  1.00 29.69           N  
+ATOM    164  CA  TYR A  23      49.313  62.429  98.514  1.00 24.94           C  
+ATOM    165  C   TYR A  23      50.514  63.329  98.788  1.00 34.45           C  
+ATOM    166  O   TYR A  23      50.506  64.506  98.430  1.00 27.90           O  
+ATOM    167  CB  TYR A  23      48.242  62.500  99.615  1.00 25.99           C  
+ATOM    168  CG  TYR A  23      48.740  62.430 101.045  1.00 43.14           C  
+ATOM    169  CD1 TYR A  23      48.924  61.205 101.684  1.00 33.32           C  
+ATOM    170  CD2 TYR A  23      48.988  63.592 101.769  1.00 42.38           C  
+ATOM    171  CE1 TYR A  23      49.368  61.146 103.001  1.00 41.53           C  
+ATOM    172  CE2 TYR A  23      49.425  63.539 103.080  1.00 44.73           C  
+ATOM    173  CZ  TYR A  23      49.613  62.313 103.693  1.00 53.41           C  
+ATOM    174  OH  TYR A  23      50.049  62.262 105.001  1.00 49.70           O  
+ATOM    175  N   LYS A  24      51.570  62.782  99.377  1.00 32.41           N  
+ATOM    176  CA  LYS A  24      52.760  63.595  99.615  1.00 35.84           C  
+ATOM    177  C   LYS A  24      53.410  64.030  98.300  1.00 34.25           C  
+ATOM    178  O   LYS A  24      53.817  65.183  98.153  1.00 38.18           O  
+ATOM    179  CB  LYS A  24      53.752  62.877 100.547  1.00 36.24           C  
+ATOM    180  CG  LYS A  24      53.187  62.688 101.953  1.00 37.77           C  
+ATOM    181  CD  LYS A  24      54.192  62.090 102.934  1.00 40.54           C  
+ATOM    182  CE  LYS A  24      53.519  61.862 104.288  1.00 50.81           C  
+ATOM    183  NZ  LYS A  24      54.298  60.990 105.212  1.00 58.42           N  
+ATOM    184  N   ASN A  25      53.473  63.114  97.337  1.00 33.09           N  
+ATOM    185  CA  ASN A  25      54.018  63.420  96.016  1.00 35.16           C  
+ATOM    186  C   ASN A  25      53.146  64.414  95.253  1.00 35.93           C  
+ATOM    187  O   ASN A  25      53.644  65.262  94.512  1.00 33.47           O  
+ATOM    188  CB  ASN A  25      54.138  62.146  95.179  1.00 38.38           C  
+ATOM    189  CG  ASN A  25      55.339  61.307  95.561  1.00 50.48           C  
+ATOM    190  OD1 ASN A  25      56.365  61.836  95.982  1.00 49.77           O  
+ATOM    191  ND2 ASN A  25      55.220  59.992  95.404  1.00 49.86           N  
+ATOM    192  N   VAL A  26      51.837  64.285  95.416  1.00 27.55           N  
+ATOM    193  CA  VAL A  26      50.914  65.185  94.731  1.00 26.50           C  
+ATOM    194  C   VAL A  26      51.148  66.606  95.214  1.00 32.27           C  
+ATOM    195  O   VAL A  26      51.285  67.528  94.410  1.00 32.89           O  
+ATOM    196  CB  VAL A  26      49.435  64.766  94.931  1.00 26.17           C  
+ATOM    197  CG1 VAL A  26      48.480  65.853  94.396  1.00 23.92           C  
+ATOM    198  CG2 VAL A  26      49.168  63.432  94.247  1.00 25.93           C  
+ATOM    199  N   PHE A  27      51.205  66.784  96.531  1.00 29.78           N  
+ATOM    200  CA  PHE A  27      51.488  68.098  97.079  1.00 30.95           C  
+ATOM    201  C   PHE A  27      52.800  68.694  96.572  1.00 34.02           C  
+ATOM    202  O   PHE A  27      52.881  69.894  96.324  1.00 41.73           O  
+ATOM    203  CB  PHE A  27      51.436  68.087  98.607  1.00 33.86           C  
+ATOM    204  CG  PHE A  27      50.067  68.367  99.156  1.00 31.55           C  
+ATOM    205  CD1 PHE A  27      49.679  69.668  99.459  1.00 30.02           C  
+ATOM    206  CD2 PHE A  27      49.164  67.339  99.346  1.00 27.13           C  
+ATOM    207  CE1 PHE A  27      48.421  69.932  99.952  1.00 29.70           C  
+ATOM    208  CE2 PHE A  27      47.896  67.596  99.846  1.00 29.89           C  
+ATOM    209  CZ  PHE A  27      47.528  68.899 100.144  1.00 29.08           C  
+ATOM    210  N   LYS A  28      53.822  67.864  96.398  1.00 36.46           N  
+ATOM    211  CA  LYS A  28      55.112  68.377  95.940  1.00 36.04           C  
+ATOM    212  C   LYS A  28      55.059  68.879  94.506  1.00 37.09           C  
+ATOM    213  O   LYS A  28      55.754  69.828  94.153  1.00 47.81           O  
+ATOM    214  CB  LYS A  28      56.212  67.319  96.086  1.00 42.61           C  
+ATOM    215  CG  LYS A  28      56.629  67.072  97.525  1.00 53.49           C  
+ATOM    216  CD  LYS A  28      57.598  65.900  97.639  1.00 56.85           C  
+ATOM    217  CE  LYS A  28      57.948  65.608  99.096  1.00 70.22           C  
+ATOM    218  NZ  LYS A  28      58.814  64.401  99.230  1.00 75.23           N  
+ATOM    219  N   LYS A  29      54.226  68.243  93.689  1.00 33.46           N  
+ATOM    220  CA  LYS A  29      54.170  68.529  92.257  1.00 33.64           C  
+ATOM    221  C   LYS A  29      53.503  69.866  91.896  1.00 38.10           C  
+ATOM    222  O   LYS A  29      53.875  70.504  90.916  1.00 33.41           O  
+ATOM    223  CB  LYS A  29      53.457  67.389  91.524  1.00 30.95           C  
+ATOM    224  CG  LYS A  29      53.248  67.635  90.029  1.00 39.97           C  
+ATOM    225  CD  LYS A  29      52.562  66.461  89.342  1.00 36.19           C  
+ATOM    226  CE  LYS A  29      52.409  66.713  87.850  1.00 47.24           C  
+ATOM    227  NZ  LYS A  29      51.627  65.636  87.182  1.00 49.21           N  
+ATOM    228  N   TYR A  30      52.513  70.285  92.677  1.00 37.66           N  
+ATOM    229  CA  TYR A  30      51.707  71.449  92.308  1.00 31.96           C  
+ATOM    230  C   TYR A  30      51.890  72.605  93.282  1.00 30.05           C  
+ATOM    231  O   TYR A  30      52.005  72.385  94.477  1.00 38.82           O  
+ATOM    232  CB  TYR A  30      50.230  71.063  92.279  1.00 28.99           C  
+ATOM    233  CG  TYR A  30      49.873  70.032  91.230  1.00 25.69           C  
+ATOM    234  CD1 TYR A  30      49.763  70.392  89.899  1.00 28.86           C  
+ATOM    235  CD2 TYR A  30      49.639  68.706  91.574  1.00 28.31           C  
+ATOM    236  CE1 TYR A  30      49.424  69.467  88.930  1.00 30.67           C  
+ATOM    237  CE2 TYR A  30      49.297  67.767  90.605  1.00 31.74           C  
+ATOM    238  CZ  TYR A  30      49.198  68.163  89.280  1.00 31.45           C  
+ATOM    239  OH  TYR A  30      48.861  67.269  88.292  1.00 36.12           O  
+ATOM    240  N   GLU A  31      51.891  73.836  92.775  1.00 38.36           N  
+ATOM    241  CA  GLU A  31      51.955  74.999  93.662  1.00 40.71           C  
+ATOM    242  C   GLU A  31      50.602  75.290  94.297  1.00 30.95           C  
+ATOM    243  O   GLU A  31      50.520  75.797  95.425  1.00 31.04           O  
+ATOM    244  CB  GLU A  31      52.424  76.250  92.927  0.74 35.81           C  
+ATOM    245  CG  GLU A  31      52.711  77.401  93.888  0.66 41.88           C  
+ATOM    246  CD  GLU A  31      52.509  78.768  93.266  0.26 39.68           C  
+ATOM    247  OE1 GLU A  31      52.224  79.715  94.032  1.00 42.58           O  
+ATOM    248  OE2 GLU A  31      52.636  78.897  92.026  1.00 43.90           O  
+ATOM    249  N   VAL A  32      49.544  74.995  93.547  1.00 25.19           N  
+ATOM    250  CA  VAL A  32      48.187  75.149  94.040  1.00 25.01           C  
+ATOM    251  C   VAL A  32      47.468  73.828  93.765  1.00 23.60           C  
+ATOM    252  O   VAL A  32      47.550  73.275  92.670  1.00 24.69           O  
+ATOM    253  CB  VAL A  32      47.469  76.349  93.365  1.00 21.14           C  
+ATOM    254  CG1 VAL A  32      46.018  76.425  93.810  1.00 20.40           C  
+ATOM    255  CG2 VAL A  32      48.191  77.656  93.712  1.00 26.05           C  
+ATOM    256  N   LEU A  33      46.800  73.313  94.779  1.00 20.74           N  
+ATOM    257  CA  LEU A  33      46.103  72.037  94.676  1.00 24.92           C  
+ATOM    258  C   LEU A  33      44.661  72.218  95.136  1.00 21.30           C  
+ATOM    259  O   LEU A  33      44.406  72.745  96.215  1.00 25.57           O  
+ATOM    260  CB  LEU A  33      46.825  70.996  95.549  1.00 26.82           C  
+ATOM    261  CG  LEU A  33      46.355  69.541  95.535  1.00 29.87           C  
+ATOM    262  CD1 LEU A  33      46.427  68.956  94.118  1.00 26.35           C  
+ATOM    263  CD2 LEU A  33      47.207  68.724  96.508  1.00 26.78           C  
+ATOM    264  N   ALA A  34      43.720  71.798  94.303  1.00 20.30           N  
+ATOM    265  CA  ALA A  34      42.306  71.802  94.661  1.00 19.67           C  
+ATOM    266  C   ALA A  34      41.866  70.366  94.879  1.00 22.99           C  
+ATOM    267  O   ALA A  34      41.959  69.548  93.961  1.00 18.86           O  
+ATOM    268  CB  ALA A  34      41.481  72.426  93.551  1.00 17.69           C  
+ATOM    269  N   LEU A  35      41.379  70.064  96.081  1.00 19.96           N  
+ATOM    270  CA  LEU A  35      40.943  68.712  96.416  1.00 18.24           C  
+ATOM    271  C   LEU A  35      39.471  68.717  96.753  1.00 18.84           C  
+ATOM    272  O   LEU A  35      39.044  69.480  97.623  1.00 23.16           O  
+ATOM    273  CB  LEU A  35      41.705  68.182  97.633  1.00 16.64           C  
+ATOM    274  CG  LEU A  35      43.214  68.018  97.500  1.00 17.55           C  
+ATOM    275  CD1 LEU A  35      43.752  67.383  98.795  1.00 23.74           C  
+ATOM    276  CD2 LEU A  35      43.469  67.108  96.298  1.00 19.06           C  
+ATOM    277  N   LEU A  36      38.708  67.871  96.064  1.00 16.42           N  
+ATOM    278  CA  LEU A  36      37.316  67.623  96.410  1.00 21.20           C  
+ATOM    279  C   LEU A  36      37.249  66.464  97.409  1.00 22.41           C  
+ATOM    280  O   LEU A  36      37.575  65.326  97.083  1.00 21.66           O  
+ATOM    281  CB  LEU A  36      36.487  67.262  95.180  1.00 18.20           C  
+ATOM    282  CG  LEU A  36      35.045  66.822  95.458  1.00 20.35           C  
+ATOM    283  CD1 LEU A  36      34.279  67.859  96.281  1.00 23.85           C  
+ATOM    284  CD2 LEU A  36      34.309  66.485  94.153  1.00 21.36           C  
+ATOM    285  N   TYR A  37      36.807  66.782  98.616  1.00 22.25           N  
+ATOM    286  CA  TYR A  37      36.540  65.789  99.641  1.00 26.80           C  
+ATOM    287  C   TYR A  37      35.111  65.279  99.453  1.00 32.84           C  
+ATOM    288  O   TYR A  37      34.160  66.031  99.632  1.00 32.95           O  
+ATOM    289  CB  TYR A  37      36.742  66.435 101.012  1.00 27.15           C  
+ATOM    290  CG  TYR A  37      36.400  65.554 102.194  1.00 32.90           C  
+ATOM    291  CD1 TYR A  37      37.111  64.382 102.441  1.00 30.92           C  
+ATOM    292  CD2 TYR A  37      35.386  65.910 103.084  1.00 36.88           C  
+ATOM    293  CE1 TYR A  37      36.808  63.575 103.527  1.00 29.43           C  
+ATOM    294  CE2 TYR A  37      35.075  65.109 104.178  1.00 41.83           C  
+ATOM    295  CZ  TYR A  37      35.793  63.943 104.397  1.00 38.88           C  
+ATOM    296  OH  TYR A  37      35.492  63.139 105.476  1.00 35.60           O  
+ATOM    297  N   HIS A  38      34.958  64.015  99.061  1.00 26.26           N  
+ATOM    298  CA  HIS A  38      33.640  63.485  98.696  1.00 28.16           C  
+ATOM    299  C   HIS A  38      33.321  62.149  99.361  1.00 34.56           C  
+ATOM    300  O   HIS A  38      34.207  61.483  99.903  1.00 31.79           O  
+ATOM    301  CB  HIS A  38      33.547  63.295  97.190  1.00 27.34           C  
+ATOM    302  CG  HIS A  38      34.434  62.208  96.670  1.00 30.38           C  
+ATOM    303  ND1 HIS A  38      34.022  60.897  96.567  1.00 31.78           N  
+ATOM    304  CD2 HIS A  38      35.716  62.233  96.235  1.00 30.03           C  
+ATOM    305  CE1 HIS A  38      35.008  60.161  96.082  1.00 33.86           C  
+ATOM    306  NE2 HIS A  38      36.048  60.947  95.872  1.00 34.19           N  
+ATOM    307  N   GLU A  39      32.050  61.754  99.292  1.00 34.08           N  
+ATOM    308  CA  GLU A  39      31.592  60.521  99.913  1.00 29.35           C  
+ATOM    309  C   GLU A  39      31.714  59.356  98.951  1.00 44.77           C  
+ATOM    310  O   GLU A  39      31.675  59.541  97.737  1.00 49.80           O  
+ATOM    311  CB  GLU A  39      30.141  60.668 100.374  1.00 43.16           C  
+ATOM    312  CG  GLU A  39      29.954  61.760 101.412  1.00 27.81           C  
+ATOM    313  CD  GLU A  39      30.788  61.506 102.650  1.00 45.62           C  
+ATOM    314  OE1 GLU A  39      31.427  62.459 103.157  1.00 38.94           O  
+ATOM    315  OE2 GLU A  39      30.808  60.339 103.111  1.00 42.57           O  
+ATOM    316  N   PRO A  40      31.879  58.140  99.488  1.00 50.98           N  
+ATOM    317  CA  PRO A  40      31.950  56.973  98.599  1.00 50.24           C  
+ATOM    318  C   PRO A  40      30.670  56.864  97.777  1.00 40.44           C  
+ATOM    319  O   PRO A  40      29.658  57.456  98.159  1.00 48.21           O  
+ATOM    320  CB  PRO A  40      32.104  55.789  99.567  1.00 49.93           C  
+ATOM    321  CG  PRO A  40      31.687  56.322 100.915  1.00 47.57           C  
+ATOM    322  CD  PRO A  40      32.012  57.781 100.909  1.00 41.54           C  
+ATOM    323  N   PRO A  41      30.721  56.147  96.643  1.00 50.10           N  
+ATOM    324  CA  PRO A  41      29.576  56.005  95.732  1.00 50.01           C  
+ATOM    325  C   PRO A  41      28.347  55.394  96.406  1.00 52.52           C  
+ATOM    326  O   PRO A  41      28.449  54.323  97.011  1.00 53.86           O  
+ATOM    327  CB  PRO A  41      30.108  55.051  94.656  1.00 53.02           C  
+ATOM    328  CG  PRO A  41      31.587  55.259  94.672  1.00 51.29           C  
+ATOM    329  CD  PRO A  41      31.936  55.505  96.108  1.00 48.74           C  
+ATOM    330  N   GLU A  42      27.209  56.076  96.302  1.00 49.00           N  
+ATOM    331  CA  GLU A  42      25.931  55.547  96.775  1.00 47.13           C  
+ATOM    332  C   GLU A  42      25.304  54.637  95.726  1.00 53.08           C  
+ATOM    333  O   GLU A  42      25.731  54.613  94.567  1.00 53.62           O  
+ATOM    334  CB  GLU A  42      24.965  56.679  97.129  1.00 45.21           C  
+ATOM    335  CG  GLU A  42      25.326  57.441  98.394  1.00 53.35           C  
+ATOM    336  CD  GLU A  42      25.203  56.589  99.652  1.00 69.22           C  
+ATOM    337  OE1 GLU A  42      25.710  57.012 100.714  1.00 69.95           O  
+ATOM    338  OE2 GLU A  42      24.594  55.498  99.582  1.00 76.46           O  
+ATOM    339  N   ASP A  43      24.290  53.885  96.132  1.00 51.69           N  
+ATOM    340  CA  ASP A  43      23.680  52.906  95.247  1.00 53.57           C  
+ATOM    341  C   ASP A  43      22.751  53.552  94.229  1.00 49.21           C  
+ATOM    342  O   ASP A  43      22.480  52.972  93.175  1.00 44.99           O  
+ATOM    343  CB  ASP A  43      22.911  51.861  96.057  1.00 70.22           C  
+ATOM    344  CG  ASP A  43      23.826  50.878  96.751  1.00 85.34           C  
+ATOM    345  OD1 ASP A  43      25.058  51.097  96.727  1.00 83.00           O  
+ATOM    346  OD2 ASP A  43      23.315  49.891  97.324  1.00 91.31           O  
+ATOM    347  N   ASP A  44      22.262  54.747  94.541  1.00 41.54           N  
+ATOM    348  CA  ASP A  44      21.233  55.347  93.709  1.00 33.53           C  
+ATOM    349  C   ASP A  44      21.818  56.103  92.514  1.00 38.83           C  
+ATOM    350  O   ASP A  44      22.847  56.777  92.617  1.00 28.86           O  
+ATOM    351  CB  ASP A  44      20.309  56.237  94.537  1.00 35.10           C  
+ATOM    352  CG  ASP A  44      20.990  57.487  95.016  1.00 39.69           C  
+ATOM    353  OD1 ASP A  44      21.924  57.379  95.838  1.00 42.49           O  
+ATOM    354  OD2 ASP A  44      20.583  58.580  94.572  1.00 38.25           O  
+ATOM    355  N   LYS A  45      21.150  55.964  91.377  1.00 38.56           N  
+ATOM    356  CA  LYS A  45      21.593  56.587  90.145  1.00 37.31           C  
+ATOM    357  C   LYS A  45      21.762  58.101  90.289  1.00 29.86           C  
+ATOM    358  O   LYS A  45      22.754  58.664  89.837  1.00 29.68           O  
+ATOM    359  CB  LYS A  45      20.601  56.298  89.023  1.00 42.78           C  
+ATOM    360  CG  LYS A  45      21.046  56.899  87.705  1.00 55.73           C  
+ATOM    361  CD  LYS A  45      19.974  56.814  86.634  1.00 57.54           C  
+ATOM    362  CE  LYS A  45      20.439  57.555  85.402  1.00 45.33           C  
+ATOM    363  NZ  LYS A  45      21.841  57.159  85.062  1.00 55.31           N  
+ATOM    364  N   ALA A  46      20.788  58.753  90.909  1.00 25.04           N  
+ATOM    365  CA  ALA A  46      20.825  60.208  91.055  1.00 29.00           C  
+ATOM    366  C   ALA A  46      22.107  60.702  91.716  1.00 27.68           C  
+ATOM    367  O   ALA A  46      22.743  61.623  91.216  1.00 22.76           O  
+ATOM    368  CB  ALA A  46      19.594  60.715  91.805  1.00 32.46           C  
+ATOM    369  N   SER A  47      22.491  60.094  92.834  1.00 27.64           N  
+ATOM    370  CA  SER A  47      23.711  60.491  93.541  1.00 29.47           C  
+ATOM    371  C   SER A  47      24.923  60.316  92.657  1.00 25.10           C  
+ATOM    372  O   SER A  47      25.851  61.135  92.670  1.00 24.09           O  
+ATOM    373  CB  SER A  47      23.905  59.654  94.817  1.00 29.98           C  
+ATOM    374  OG  SER A  47      22.847  59.894  95.724  1.00 46.91           O  
+ATOM    375  N   GLN A  48      24.929  59.220  91.905  1.00 23.99           N  
+ATOM    376  CA  GLN A  48      26.061  58.899  91.058  1.00 26.18           C  
+ATOM    377  C   GLN A  48      26.207  59.924  89.939  1.00 21.98           C  
+ATOM    378  O   GLN A  48      27.311  60.335  89.603  1.00 22.30           O  
+ATOM    379  CB  GLN A  48      25.896  57.497  90.474  1.00 25.67           C  
+ATOM    380  CG  GLN A  48      25.989  56.409  91.533  1.00 37.09           C  
+ATOM    381  CD  GLN A  48      25.564  55.052  91.014  1.00 47.48           C  
+ATOM    382  OE1 GLN A  48      25.152  54.183  91.782  1.00 50.66           O  
+ATOM    383  NE2 GLN A  48      25.661  54.862  89.704  1.00 42.44           N  
+ATOM    384  N   ARG A  49      25.085  60.313  89.363  1.00 22.00           N  
+ATOM    385  CA  ARG A  49      25.086  61.344  88.332  1.00 27.85           C  
+ATOM    386  C   ARG A  49      25.562  62.700  88.876  1.00 22.24           C  
+ATOM    387  O   ARG A  49      26.297  63.413  88.205  1.00 20.47           O  
+ATOM    388  CB  ARG A  49      23.696  61.465  87.720  1.00 20.77           C  
+ATOM    389  CG  ARG A  49      23.280  60.240  86.906  1.00 26.26           C  
+ATOM    390  CD  ARG A  49      24.001  60.233  85.553  1.00 26.66           C  
+ATOM    391  NE  ARG A  49      23.231  60.967  84.554  1.00 21.38           N  
+ATOM    392  CZ  ARG A  49      23.714  61.411  83.399  1.00 24.97           C  
+ATOM    393  NH1 ARG A  49      24.981  61.214  83.088  1.00 21.49           N  
+ATOM    394  NH2 ARG A  49      22.919  62.056  82.551  1.00 25.76           N  
+ATOM    395  N   GLN A  50      25.092  63.077  90.064  1.00 19.51           N  
+ATOM    396  CA  GLN A  50      25.569  64.305  90.695  1.00 21.90           C  
+ATOM    397  C   GLN A  50      27.092  64.276  90.828  1.00 23.83           C  
+ATOM    398  O   GLN A  50      27.774  65.265  90.557  1.00 22.74           O  
+ATOM    399  CB  GLN A  50      24.927  64.489  92.075  1.00 19.40           C  
+ATOM    400  CG  GLN A  50      23.441  64.788  92.025  1.00 22.09           C  
+ATOM    401  CD  GLN A  50      22.845  64.835  93.414  1.00 30.09           C  
+ATOM    402  OE1 GLN A  50      23.017  63.899  94.194  1.00 29.11           O  
+ATOM    403  NE2 GLN A  50      22.172  65.933  93.743  1.00 25.17           N  
+ATOM    404  N   PHE A  51      27.636  63.144  91.257  1.00 22.73           N  
+ATOM    405  CA  PHE A  51      29.082  63.060  91.429  1.00 23.97           C  
+ATOM    406  C   PHE A  51      29.799  63.103  90.089  1.00 20.40           C  
+ATOM    407  O   PHE A  51      30.855  63.726  89.965  1.00 21.55           O  
+ATOM    408  CB  PHE A  51      29.506  61.797  92.187  1.00 25.13           C  
+ATOM    409  CG  PHE A  51      30.988  61.654  92.301  1.00 30.65           C  
+ATOM    410  CD1 PHE A  51      31.684  62.348  93.272  1.00 33.09           C  
+ATOM    411  CD2 PHE A  51      31.695  60.868  91.401  1.00 28.82           C  
+ATOM    412  CE1 PHE A  51      33.051  62.242  93.363  1.00 32.76           C  
+ATOM    413  CE2 PHE A  51      33.067  60.749  91.492  1.00 31.42           C  
+ATOM    414  CZ  PHE A  51      33.745  61.439  92.472  1.00 38.24           C  
+ATOM    415  N   GLU A  52      29.223  62.428  89.099  1.00 19.72           N  
+ATOM    416  CA  GLU A  52      29.774  62.398  87.753  1.00 19.98           C  
+ATOM    417  C   GLU A  52      29.913  63.828  87.196  1.00 19.47           C  
+ATOM    418  O   GLU A  52      30.933  64.182  86.584  1.00 17.28           O  
+ATOM    419  CB  GLU A  52      28.847  61.552  86.864  1.00 20.41           C  
+ATOM    420  CG  GLU A  52      29.287  61.376  85.427  1.00 22.28           C  
+ATOM    421  CD  GLU A  52      28.220  60.659  84.591  1.00 29.74           C  
+ATOM    422  OE1 GLU A  52      27.104  60.454  85.088  1.00 32.40           O  
+ATOM    423  OE2 GLU A  52      28.484  60.307  83.433  1.00 29.37           O  
+ATOM    424  N   MET A  53      28.888  64.644  87.418  1.00 21.93           N  
+ATOM    425  CA AMET A  53      28.917  66.027  86.947  0.45 20.04           C  
+ATOM    426  CA BMET A  53      28.888  66.038  86.987  0.55 20.03           C  
+ATOM    427  C   MET A  53      29.986  66.839  87.676  1.00 20.91           C  
+ATOM    428  O   MET A  53      30.775  67.530  87.035  1.00 18.75           O  
+ATOM    429  CB AMET A  53      27.542  66.702  87.058  0.45 20.38           C  
+ATOM    430  CB BMET A  53      27.544  66.679  87.307  0.55 20.46           C  
+ATOM    431  CG AMET A  53      27.501  68.098  86.425  0.45 22.18           C  
+ATOM    432  CG BMET A  53      27.562  68.175  87.134  0.55 20.21           C  
+ATOM    433  SD AMET A  53      25.955  69.026  86.616  0.45 24.60           S  
+ATOM    434  SD BMET A  53      27.489  68.556  85.386  0.55 20.69           S  
+ATOM    435  CE AMET A  53      24.857  68.175  85.487  0.45 17.94           C  
+ATOM    436  CE BMET A  53      25.700  68.630  85.219  0.55 23.85           C  
+ATOM    437  N   GLU A  54      30.021  66.761  89.005  1.00 19.01           N  
+ATOM    438  CA  GLU A  54      31.050  67.480  89.754  1.00 21.78           C  
+ATOM    439  C   GLU A  54      32.446  67.084  89.288  1.00 25.17           C  
+ATOM    440  O   GLU A  54      33.321  67.940  89.140  1.00 18.28           O  
+ATOM    441  CB  GLU A  54      30.940  67.220  91.263  1.00 21.62           C  
+ATOM    442  CG  GLU A  54      29.774  67.927  91.928  1.00 27.26           C  
+ATOM    443  CD  GLU A  54      29.772  67.760  93.448  1.00 38.18           C  
+ATOM    444  OE1 GLU A  54      30.458  66.847  93.971  1.00 32.12           O  
+ATOM    445  OE2 GLU A  54      29.082  68.553  94.117  1.00 34.85           O  
+ATOM    446  N   GLU A  55      32.678  65.786  89.084  1.00 17.83           N  
+ATOM    447  CA  GLU A  55      34.031  65.363  88.726  1.00 18.59           C  
+ATOM    448  C   GLU A  55      34.432  65.884  87.335  1.00 16.84           C  
+ATOM    449  O   GLU A  55      35.580  66.251  87.101  1.00 17.39           O  
+ATOM    450  CB  GLU A  55      34.181  63.836  88.805  1.00 20.34           C  
+ATOM    451  CG  GLU A  55      35.642  63.370  88.783  1.00 24.42           C  
+ATOM    452  CD  GLU A  55      36.214  63.244  87.387  1.00 24.32           C  
+ATOM    453  OE1 GLU A  55      35.427  63.138  86.421  1.00 22.51           O  
+ATOM    454  OE2 GLU A  55      37.456  63.246  87.263  1.00 24.32           O  
+ATOM    455  N   LEU A  56      33.479  65.903  86.412  1.00 17.74           N  
+ATOM    456  CA  LEU A  56      33.740  66.431  85.071  1.00 16.69           C  
+ATOM    457  C   LEU A  56      33.989  67.950  85.099  1.00 15.78           C  
+ATOM    458  O   LEU A  56      34.801  68.478  84.345  1.00 16.71           O  
+ATOM    459  CB  LEU A  56      32.569  66.096  84.144  1.00 19.26           C  
+ATOM    460  CG  LEU A  56      32.682  64.704  83.502  1.00 21.34           C  
+ATOM    461  CD1 LEU A  56      31.365  64.262  82.890  1.00 21.92           C  
+ATOM    462  CD2 LEU A  56      33.776  64.736  82.467  1.00 20.03           C  
+ATOM    463  N   ILE A  57      33.282  68.649  85.970  1.00 15.43           N  
+ATOM    464  CA  ILE A  57      33.550  70.077  86.151  1.00 19.28           C  
+ATOM    465  C   ILE A  57      35.008  70.287  86.567  1.00 17.89           C  
+ATOM    466  O   ILE A  57      35.703  71.140  86.001  1.00 14.89           O  
+ATOM    467  CB  ILE A  57      32.536  70.721  87.136  1.00 16.75           C  
+ATOM    468  CG1 ILE A  57      31.155  70.801  86.459  1.00 17.47           C  
+ATOM    469  CG2 ILE A  57      33.070  72.087  87.643  1.00 16.62           C  
+ATOM    470  CD1 ILE A  57      30.002  71.132  87.404  1.00 16.58           C  
+ATOM    471  N   LEU A  58      35.483  69.475  87.517  1.00 15.61           N  
+ATOM    472  CA  LEU A  58      36.891  69.494  87.900  1.00 18.22           C  
+ATOM    473  C   LEU A  58      37.797  69.162  86.725  1.00 15.12           C  
+ATOM    474  O   LEU A  58      38.845  69.772  86.565  1.00 17.66           O  
+ATOM    475  CB  LEU A  58      37.169  68.541  89.070  1.00 18.83           C  
+ATOM    476  CG  LEU A  58      36.458  68.916  90.374  1.00 23.58           C  
+ATOM    477  CD1 LEU A  58      36.740  67.874  91.482  1.00 21.68           C  
+ATOM    478  CD2 LEU A  58      36.853  70.320  90.821  1.00 19.90           C  
+ATOM    479  N   GLU A  59      37.384  68.202  85.898  1.00 18.48           N  
+ATOM    480  CA  GLU A  59      38.197  67.844  84.741  1.00 16.15           C  
+ATOM    481  C   GLU A  59      38.367  69.038  83.823  1.00 14.84           C  
+ATOM    482  O   GLU A  59      39.458  69.291  83.328  1.00 18.66           O  
+ATOM    483  CB  GLU A  59      37.578  66.678  83.960  1.00 17.30           C  
+ATOM    484  CG  GLU A  59      37.571  65.337  84.718  1.00 18.27           C  
+ATOM    485  CD  GLU A  59      38.948  64.689  84.856  1.00 23.28           C  
+ATOM    486  OE1 GLU A  59      39.962  65.240  84.365  1.00 19.48           O  
+ATOM    487  OE2 GLU A  59      39.016  63.605  85.479  1.00 20.98           O  
+ATOM    488  N   LEU A  60      37.282  69.774  83.593  1.00 16.29           N  
+ATOM    489  CA  LEU A  60      37.354  70.908  82.687  1.00 15.63           C  
+ATOM    490  C   LEU A  60      38.325  71.959  83.245  1.00 18.34           C  
+ATOM    491  O   LEU A  60      39.183  72.474  82.534  1.00 15.67           O  
+ATOM    492  CB  LEU A  60      35.962  71.498  82.483  1.00 17.00           C  
+ATOM    493  CG  LEU A  60      35.832  72.628  81.462  1.00 21.75           C  
+ATOM    494  CD1 LEU A  60      36.510  72.219  80.160  1.00 19.09           C  
+ATOM    495  CD2 LEU A  60      34.358  72.996  81.238  1.00 18.98           C  
+ATOM    496  N   ALA A  61      38.175  72.287  84.523  1.00 17.92           N  
+ATOM    497  CA  ALA A  61      39.087  73.223  85.171  1.00 16.99           C  
+ATOM    498  C   ALA A  61      40.532  72.721  85.096  1.00 18.37           C  
+ATOM    499  O   ALA A  61      41.463  73.506  84.897  1.00 18.50           O  
+ATOM    500  CB  ALA A  61      38.670  73.431  86.618  1.00 17.20           C  
+ATOM    501  N   ALA A  62      40.721  71.416  85.300  1.00 16.69           N  
+ATOM    502  CA  ALA A  62      42.058  70.830  85.290  1.00 18.74           C  
+ATOM    503  C   ALA A  62      42.698  70.988  83.918  1.00 17.06           C  
+ATOM    504  O   ALA A  62      43.890  71.257  83.826  1.00 16.48           O  
+ATOM    505  CB  ALA A  62      42.001  69.337  85.683  1.00 16.98           C  
+ATOM    506  N   GLN A  63      41.898  70.830  82.858  1.00 18.32           N  
+ATOM    507  CA  GLN A  63      42.427  70.985  81.501  1.00 17.51           C  
+ATOM    508  C   GLN A  63      42.828  72.421  81.254  1.00 16.89           C  
+ATOM    509  O   GLN A  63      43.927  72.690  80.766  1.00 18.07           O  
+ATOM    510  CB  GLN A  63      41.428  70.522  80.432  1.00 19.56           C  
+ATOM    511  CG  GLN A  63      41.960  70.723  79.014  1.00 18.85           C  
+ATOM    512  CD  GLN A  63      41.059  70.126  77.933  1.00 21.00           C  
+ATOM    513  OE1 GLN A  63      40.151  69.349  78.211  1.00 20.90           O  
+ATOM    514  NE2 GLN A  63      41.321  70.494  76.688  1.00 21.44           N  
+ATOM    515  N   VAL A  64      41.935  73.344  81.603  1.00 15.80           N  
+ATOM    516  CA  VAL A  64      42.222  74.766  81.463  1.00 17.30           C  
+ATOM    517  C   VAL A  64      43.477  75.209  82.227  1.00 19.71           C  
+ATOM    518  O   VAL A  64      44.307  75.987  81.722  1.00 18.79           O  
+ATOM    519  CB  VAL A  64      41.019  75.628  81.885  1.00 17.90           C  
+ATOM    520  CG1 VAL A  64      41.419  77.116  81.954  1.00 16.41           C  
+ATOM    521  CG2 VAL A  64      39.857  75.401  80.932  1.00 18.25           C  
+ATOM    522  N   LEU A  65      43.626  74.713  83.443  1.00 12.73           N  
+ATOM    523  CA  LEU A  65      44.706  75.202  84.289  1.00 16.02           C  
+ATOM    524  C   LEU A  65      45.950  74.314  84.296  1.00 21.20           C  
+ATOM    525  O   LEU A  65      46.849  74.509  85.119  1.00 19.33           O  
+ATOM    526  CB  LEU A  65      44.179  75.407  85.711  1.00 18.60           C  
+ATOM    527  CG  LEU A  65      43.220  76.597  85.800  1.00 17.34           C  
+ATOM    528  CD1 LEU A  65      42.674  76.696  87.218  1.00 22.15           C  
+ATOM    529  CD2 LEU A  65      43.963  77.874  85.409  1.00 20.22           C  
+ATOM    530  N   GLU A  66      46.019  73.363  83.367  1.00 20.73           N  
+ATOM    531  CA  GLU A  66      47.142  72.416  83.351  1.00 22.43           C  
+ATOM    532  C   GLU A  66      48.504  73.107  83.232  1.00 25.21           C  
+ATOM    533  O   GLU A  66      49.451  72.775  83.941  1.00 21.24           O  
+ATOM    534  CB  GLU A  66      46.972  71.413  82.206  1.00 24.56           C  
+ATOM    535  CG  GLU A  66      48.084  70.380  82.115  1.00 33.31           C  
+ATOM    536  CD  GLU A  66      47.707  69.214  81.213  1.00 28.61           C  
+ATOM    537  OE1 GLU A  66      47.515  69.431  80.001  1.00 35.73           O  
+ATOM    538  OE2 GLU A  66      47.561  68.093  81.733  1.00 40.66           O  
+ATOM    539  N   ASP A  67      48.600  74.056  82.315  1.00 22.23           N  
+ATOM    540  CA AASP A  67      49.849  74.759  82.040  0.54 24.55           C  
+ATOM    541  CA BASP A  67      49.865  74.741  82.061  0.46 24.54           C  
+ATOM    542  C   ASP A  67      50.295  75.641  83.210  1.00 30.11           C  
+ATOM    543  O   ASP A  67      51.476  75.907  83.382  1.00 26.86           O  
+ATOM    544  CB AASP A  67      49.682  75.591  80.756  0.54 25.27           C  
+ATOM    545  CB BASP A  67      49.787  75.559  80.770  0.46 25.29           C  
+ATOM    546  CG AASP A  67      50.911  76.408  80.411  0.54 28.25           C  
+ATOM    547  CG BASP A  67      49.715  74.691  79.537  0.46 28.35           C  
+ATOM    548  OD1AASP A  67      51.875  75.837  79.862  0.54 32.25           O  
+ATOM    549  OD1BASP A  67      50.339  73.609  79.535  0.46 36.55           O  
+ATOM    550  OD2AASP A  67      50.906  77.629  80.670  0.54 29.27           O  
+ATOM    551  OD2BASP A  67      49.039  75.097  78.569  0.46 31.70           O  
+ATOM    552  N   LYS A  68      49.339  76.101  84.008  1.00 20.43           N  
+ATOM    553  CA  LYS A  68      49.649  76.981  85.128  1.00 21.56           C  
+ATOM    554  C   LYS A  68      50.010  76.263  86.442  1.00 26.91           C  
+ATOM    555  O   LYS A  68      50.207  76.898  87.469  1.00 29.82           O  
+ATOM    556  CB  LYS A  68      48.512  77.973  85.324  1.00 24.27           C  
+ATOM    557  CG  LYS A  68      48.527  79.031  84.214  1.00 26.98           C  
+ATOM    558  CD  LYS A  68      47.651  80.209  84.507  1.00 34.24           C  
+ATOM    559  CE  LYS A  68      47.787  81.277  83.407  1.00 27.69           C  
+ATOM    560  NZ  LYS A  68      48.715  82.371  83.802  1.00 27.56           N  
+ATOM    561  N   GLY A  69      50.091  74.942  86.401  1.00 27.13           N  
+ATOM    562  CA  GLY A  69      50.543  74.185  87.562  1.00 31.31           C  
+ATOM    563  C   GLY A  69      49.543  74.139  88.712  1.00 34.77           C  
+ATOM    564  O   GLY A  69      49.906  74.164  89.896  1.00 31.49           O  
+ATOM    565  N   VAL A  70      48.266  74.086  88.361  1.00 26.51           N  
+ATOM    566  CA  VAL A  70      47.229  73.854  89.351  1.00 26.35           C  
+ATOM    567  C   VAL A  70      46.787  72.417  89.194  1.00 26.56           C  
+ATOM    568  O   VAL A  70      46.453  71.997  88.090  1.00 25.64           O  
+ATOM    569  CB  VAL A  70      46.030  74.783  89.124  1.00 18.48           C  
+ATOM    570  CG1 VAL A  70      44.980  74.567  90.210  1.00 19.36           C  
+ATOM    571  CG2 VAL A  70      46.501  76.233  89.116  1.00 23.49           C  
+ATOM    572  N   GLY A  71      46.793  71.667  90.293  1.00 23.67           N  
+ATOM    573  CA  GLY A  71      46.399  70.272  90.264  1.00 22.80           C  
+ATOM    574  C   GLY A  71      45.050  70.075  90.900  1.00 21.76           C  
+ATOM    575  O   GLY A  71      44.633  70.886  91.713  1.00 22.66           O  
+ATOM    576  N   PHE A  72      44.361  69.012  90.501  1.00 16.68           N  
+ATOM    577  CA  PHE A  72      43.036  68.701  91.001  1.00 19.10           C  
+ATOM    578  C   PHE A  72      42.998  67.252  91.446  1.00 20.85           C  
+ATOM    579  O   PHE A  72      43.581  66.383  90.795  1.00 21.14           O  
+ATOM    580  CB  PHE A  72      41.994  68.921  89.904  1.00 20.97           C  
+ATOM    581  CG  PHE A  72      41.822  70.362  89.531  1.00 18.83           C  
+ATOM    582  CD1 PHE A  72      42.754  70.988  88.712  1.00 18.73           C  
+ATOM    583  CD2 PHE A  72      40.752  71.091  90.021  1.00 21.32           C  
+ATOM    584  CE1 PHE A  72      42.604  72.327  88.351  1.00 20.00           C  
+ATOM    585  CE2 PHE A  72      40.603  72.448  89.685  1.00 22.16           C  
+ATOM    586  CZ  PHE A  72      41.535  73.055  88.852  1.00 15.81           C  
+ATOM    587  N   GLY A  73      42.314  66.998  92.555  1.00 20.06           N  
+ATOM    588  CA  GLY A  73      42.320  65.679  93.154  1.00 16.42           C  
+ATOM    589  C   GLY A  73      41.051  65.359  93.899  1.00 20.95           C  
+ATOM    590  O   GLY A  73      40.309  66.257  94.278  1.00 19.35           O  
+ATOM    591  N   LEU A  74      40.814  64.068  94.119  1.00 17.00           N  
+ATOM    592  CA  LEU A  74      39.625  63.596  94.813  1.00 17.74           C  
+ATOM    593  C   LEU A  74      40.050  62.870  96.073  1.00 25.00           C  
+ATOM    594  O   LEU A  74      40.941  62.024  96.032  1.00 22.06           O  
+ATOM    595  CB  LEU A  74      38.881  62.607  93.934  1.00 22.88           C  
+ATOM    596  CG  LEU A  74      38.358  63.158  92.619  1.00 22.89           C  
+ATOM    597  CD1 LEU A  74      37.879  62.032  91.720  1.00 27.23           C  
+ATOM    598  CD2 LEU A  74      37.240  64.174  92.874  1.00 30.48           C  
+ATOM    599  N   VAL A  75      39.426  63.203  97.192  1.00 20.13           N  
+ATOM    600  CA  VAL A  75      39.701  62.478  98.427  1.00 23.55           C  
+ATOM    601  C   VAL A  75      38.407  61.870  98.942  1.00 25.68           C  
+ATOM    602  O   VAL A  75      37.488  62.590  99.328  1.00 26.19           O  
+ATOM    603  CB  VAL A  75      40.323  63.364  99.512  1.00 23.22           C  
+ATOM    604  CG1 VAL A  75      40.574  62.533 100.776  1.00 26.88           C  
+ATOM    605  CG2 VAL A  75      41.633  64.021  99.014  1.00 26.43           C  
+ATOM    606  N   ASP A  76      38.363  60.541  98.929  1.00 26.47           N  
+ATOM    607  CA  ASP A  76      37.202  59.742  99.314  1.00 29.15           C  
+ATOM    608  C   ASP A  76      37.181  59.600 100.835  1.00 31.34           C  
+ATOM    609  O   ASP A  76      38.169  59.191 101.451  1.00 24.61           O  
+ATOM    610  CB  ASP A  76      37.282  58.376  98.600  1.00 25.06           C  
+ATOM    611  CG  ASP A  76      36.074  57.475  98.865  1.00 31.75           C  
+ATOM    612  OD1 ASP A  76      35.563  56.883  97.886  1.00 33.14           O  
+ATOM    613  OD2 ASP A  76      35.662  57.329 100.035  1.00 29.34           O  
+ATOM    614  N   SER A  77      36.061  59.976 101.441  1.00 31.61           N  
+ATOM    615  CA  SER A  77      35.946  60.040 102.897  1.00 28.27           C  
+ATOM    616  C   SER A  77      36.069  58.665 103.568  1.00 29.69           C  
+ATOM    617  O   SER A  77      36.294  58.581 104.773  1.00 32.70           O  
+ATOM    618  CB  SER A  77      34.604  60.662 103.289  1.00 29.28           C  
+ATOM    619  OG  SER A  77      33.545  59.825 102.864  1.00 31.09           O  
+ATOM    620  N   GLU A  78      35.903  57.600 102.789  1.00 35.26           N  
+ATOM    621  CA  GLU A  78      36.014  56.237 103.315  1.00 37.68           C  
+ATOM    622  C   GLU A  78      37.345  55.637 102.894  1.00 37.87           C  
+ATOM    623  O   GLU A  78      38.204  55.350 103.730  1.00 39.13           O  
+ATOM    624  CB  GLU A  78      34.859  55.382 102.794  1.00 40.86           C  
+ATOM    625  CG  GLU A  78      34.752  53.978 103.370  1.00 51.71           C  
+ATOM    626  CD  GLU A  78      33.461  53.283 102.944  1.00 60.77           C  
+ATOM    627  OE1 GLU A  78      33.538  52.200 102.321  1.00 66.17           O  
+ATOM    628  OE2 GLU A  78      32.368  53.825 103.228  1.00 61.47           O  
+ATOM    629  N   LYS A  79      37.514  55.458 101.588  1.00 35.00           N  
+ATOM    630  CA  LYS A  79      38.740  54.925 101.027  1.00 30.31           C  
+ATOM    631  C   LYS A  79      39.970  55.742 101.457  1.00 36.38           C  
+ATOM    632  O   LYS A  79      41.032  55.187 101.719  1.00 32.84           O  
+ATOM    633  CB  LYS A  79      38.612  54.848  99.503  1.00 30.97           C  
+ATOM    634  CG  LYS A  79      39.838  54.330  98.771  1.00 45.91           C  
+ATOM    635  CD  LYS A  79      39.618  54.354  97.261  1.00 48.05           C  
+ATOM    636  CE  LYS A  79      40.895  54.701  96.498  1.00 58.56           C  
+ATOM    637  NZ  LYS A  79      41.297  56.133  96.629  1.00 35.56           N  
+ATOM    638  N   ASP A  80      39.828  57.059 101.568  1.00 31.38           N  
+ATOM    639  CA  ASP A  80      40.981  57.897 101.896  1.00 29.28           C  
+ATOM    640  C   ASP A  80      40.833  58.617 103.222  1.00 30.09           C  
+ATOM    641  O   ASP A  80      41.365  59.710 103.408  1.00 26.16           O  
+ATOM    642  CB  ASP A  80      41.246  58.899 100.769  1.00 30.98           C  
+ATOM    643  CG  ASP A  80      41.232  58.246  99.414  1.00 31.49           C  
+ATOM    644  OD1 ASP A  80      41.972  57.261  99.239  1.00 32.46           O  
+ATOM    645  OD2 ASP A  80      40.463  58.686  98.532  1.00 27.62           O  
+ATOM    646  N   ALA A  81      40.114  57.996 104.151  1.00 30.53           N  
+ATOM    647  CA  ALA A  81      39.859  58.606 105.454  1.00 28.88           C  
+ATOM    648  C   ALA A  81      41.109  59.154 106.146  1.00 27.66           C  
+ATOM    649  O   ALA A  81      41.065  60.201 106.786  1.00 29.39           O  
+ATOM    650  CB  ALA A  81      39.132  57.617 106.361  1.00 30.33           C  
+ATOM    651  N   ALA A  82      42.234  58.453 106.019  1.00 30.65           N  
+ATOM    652  CA  ALA A  82      43.445  58.866 106.709  1.00 24.24           C  
+ATOM    653  C   ALA A  82      44.086  60.106 106.101  1.00 29.92           C  
+ATOM    654  O   ALA A  82      44.634  60.957 106.808  1.00 27.34           O  
+ATOM    655  CB  ALA A  82      44.450  57.712 106.760  1.00 32.64           C  
+ATOM    656  N   VAL A  83      44.030  60.208 104.780  1.00 28.64           N  
+ATOM    657  CA  VAL A  83      44.527  61.398 104.119  1.00 30.28           C  
+ATOM    658  C   VAL A  83      43.699  62.601 104.587  1.00 20.27           C  
+ATOM    659  O   VAL A  83      44.250  63.657 104.896  1.00 28.68           O  
+ATOM    660  CB  VAL A  83      44.440  61.252 102.592  1.00 27.86           C  
+ATOM    661  CG1 VAL A  83      44.833  62.556 101.909  1.00 29.33           C  
+ATOM    662  CG2 VAL A  83      45.333  60.094 102.119  1.00 31.55           C  
+ATOM    663  N   ALA A  84      42.382  62.420 104.626  1.00 26.93           N  
+ATOM    664  CA  ALA A  84      41.476  63.501 105.004  1.00 31.50           C  
+ATOM    665  C   ALA A  84      41.847  63.989 106.389  1.00 39.00           C  
+ATOM    666  O   ALA A  84      41.973  65.197 106.630  1.00 36.64           O  
+ATOM    667  CB  ALA A  84      40.035  63.022 104.978  1.00 30.11           C  
+ATOM    668  N   LYS A  85      42.041  63.032 107.294  1.00 38.56           N  
+ATOM    669  CA  LYS A  85      42.449  63.339 108.659  1.00 35.15           C  
+ATOM    670  C   LYS A  85      43.684  64.212 108.716  1.00 36.89           C  
+ATOM    671  O   LYS A  85      43.684  65.221 109.407  1.00 44.26           O  
+ATOM    672  CB  LYS A  85      42.657  62.057 109.470  1.00 39.99           C  
+ATOM    673  CG  LYS A  85      41.796  61.998 110.724  1.00 39.51           C  
+ATOM    674  CD  LYS A  85      41.909  60.664 111.438  1.00 32.24           C  
+ATOM    675  CE  LYS A  85      41.030  60.639 112.694  1.00 42.08           C  
+ATOM    676  NZ  LYS A  85      41.592  61.394 113.856  1.00 36.08           N  
+ATOM    677  N   LYS A  86      44.732  63.840 107.984  1.00 32.43           N  
+ATOM    678  CA  LYS A  86      45.988  64.580 108.028  1.00 33.07           C  
+ATOM    679  C   LYS A  86      45.883  65.969 107.417  1.00 41.98           C  
+ATOM    680  O   LYS A  86      46.636  66.871 107.788  1.00 36.14           O  
+ATOM    681  CB  LYS A  86      47.108  63.811 107.313  1.00 40.86           C  
+ATOM    682  CG  LYS A  86      47.555  62.535 108.017  0.71 41.92           C  
+ATOM    683  CD  LYS A  86      48.653  62.803 109.043  0.96 49.50           C  
+ATOM    684  CE  LYS A  86      48.116  63.426 110.323  0.74 45.21           C  
+ATOM    685  NZ  LYS A  86      49.155  63.451 111.402  1.00 59.20           N  
+ATOM    686  N   LEU A  87      44.967  66.127 106.462  1.00 38.43           N  
+ATOM    687  CA  LEU A  87      44.828  67.377 105.715  1.00 38.07           C  
+ATOM    688  C   LEU A  87      43.714  68.247 106.274  1.00 41.29           C  
+ATOM    689  O   LEU A  87      43.530  69.380 105.843  1.00 42.81           O  
+ATOM    690  CB  LEU A  87      44.557  67.089 104.232  1.00 31.01           C  
+ATOM    691  CG  LEU A  87      45.702  66.412 103.468  1.00 27.51           C  
+ATOM    692  CD1 LEU A  87      45.294  66.175 102.011  1.00 31.42           C  
+ATOM    693  CD2 LEU A  87      46.963  67.241 103.541  1.00 29.28           C  
+ATOM    694  N   GLY A  88      42.958  67.701 107.216  1.00 38.19           N  
+ATOM    695  CA  GLY A  88      41.892  68.444 107.856  1.00 42.21           C  
+ATOM    696  C   GLY A  88      40.679  68.644 106.972  1.00 45.80           C  
+ATOM    697  O   GLY A  88      40.071  69.714 106.985  1.00 46.16           O  
+ATOM    698  N   LEU A  89      40.322  67.614 106.208  1.00 43.15           N  
+ATOM    699  CA  LEU A  89      39.147  67.661 105.346  1.00 40.10           C  
+ATOM    700  C   LEU A  89      37.934  67.110 106.082  1.00 39.18           C  
+ATOM    701  O   LEU A  89      37.816  65.903 106.263  1.00 38.14           O  
+ATOM    702  CB  LEU A  89      39.382  66.870 104.053  1.00 35.52           C  
+ATOM    703  CG  LEU A  89      40.755  67.038 103.391  1.00 30.61           C  
+ATOM    704  CD1 LEU A  89      40.831  66.183 102.143  1.00 26.39           C  
+ATOM    705  CD2 LEU A  89      41.110  68.498 103.074  1.00 31.19           C  
+ATOM    706  N   THR A  90      37.022  68.000 106.478  1.00 36.25           N  
+ATOM    707  CA  THR A  90      35.864  67.633 107.301  1.00 37.48           C  
+ATOM    708  C   THR A  90      34.536  67.786 106.576  1.00 44.80           C  
+ATOM    709  O   THR A  90      33.605  66.998 106.776  1.00 43.59           O  
+ATOM    710  CB  THR A  90      35.740  68.560 108.528  1.00 35.60           C  
+ATOM    711  OG1 THR A  90      37.040  68.987 108.958  1.00 55.12           O  
+ATOM    712  CG2 THR A  90      35.027  67.839 109.657  1.00 62.77           C  
+ATOM    713  N   GLU A  91      34.443  68.826 105.757  1.00 36.77           N  
+ATOM    714  CA  GLU A  91      33.168  69.238 105.193  1.00 38.21           C  
+ATOM    715  C   GLU A  91      32.772  68.377 103.988  1.00 41.06           C  
+ATOM    716  O   GLU A  91      33.430  68.386 102.949  1.00 38.90           O  
+ATOM    717  CB  GLU A  91      33.227  70.730 104.836  1.00 44.93           C  
+ATOM    718  CG  GLU A  91      31.892  71.353 104.445  1.00 53.59           C  
+ATOM    719  CD  GLU A  91      30.955  71.572 105.627  1.00 56.17           C  
+ATOM    720  OE1 GLU A  91      31.421  71.546 106.789  1.00 47.32           O  
+ATOM    721  OE2 GLU A  91      29.745  71.771 105.383  1.00 61.03           O  
+ATOM    722  N   GLU A  92      31.695  67.626 104.146  1.00 31.80           N  
+ATOM    723  CA  GLU A  92      31.235  66.699 103.119  1.00 43.51           C  
+ATOM    724  C   GLU A  92      31.116  67.350 101.742  1.00 41.50           C  
+ATOM    725  O   GLU A  92      30.708  68.503 101.623  1.00 40.88           O  
+ATOM    726  CB  GLU A  92      29.896  66.072 103.526  1.00 43.81           C  
+ATOM    727  CG  GLU A  92      29.246  65.206 102.439  1.00 54.88           C  
+ATOM    728  CD  GLU A  92      28.082  64.366 102.962  1.00 69.78           C  
+ATOM    729  OE1 GLU A  92      28.053  64.076 104.184  1.00 56.41           O  
+ATOM    730  OE2 GLU A  92      27.200  63.997 102.149  1.00 54.17           O  
+ATOM    731  N   ASP A  93      31.487  66.600 100.710  1.00 34.58           N  
+ATOM    732  CA  ASP A  93      31.344  67.050  99.330  1.00 34.36           C  
+ATOM    733  C   ASP A  93      31.767  68.515  99.172  1.00 34.09           C  
+ATOM    734  O   ASP A  93      31.015  69.319  98.631  1.00 33.38           O  
+ATOM    735  CB  ASP A  93      29.893  66.848  98.875  1.00 30.77           C  
+ATOM    736  CG  ASP A  93      29.742  66.827  97.352  1.00 46.77           C  
+ATOM    737  OD1 ASP A  93      28.592  66.925  96.867  1.00 46.81           O  
+ATOM    738  OD2 ASP A  93      30.765  66.700  96.640  1.00 34.80           O  
+ATOM    739  N   SER A  94      32.964  68.852  99.656  1.00 30.12           N  
+ATOM    740  CA  SER A  94      33.493  70.217  99.599  1.00 28.44           C  
+ATOM    741  C   SER A  94      34.890  70.311  99.001  1.00 31.26           C  
+ATOM    742  O   SER A  94      35.674  69.346  99.047  1.00 25.91           O  
+ATOM    743  CB  SER A  94      33.515  70.834 100.989  1.00 36.58           C  
+ATOM    744  OG  SER A  94      32.191  70.939 101.479  1.00 41.14           O  
+ATOM    745  N   ILE A  95      35.199  71.483  98.453  1.00 25.92           N  
+ATOM    746  CA  ILE A  95      36.503  71.748  97.843  1.00 24.90           C  
+ATOM    747  C   ILE A  95      37.457  72.495  98.782  1.00 28.13           C  
+ATOM    748  O   ILE A  95      37.121  73.563  99.310  1.00 28.50           O  
+ATOM    749  CB  ILE A  95      36.352  72.549  96.521  1.00 23.19           C  
+ATOM    750  CG1 ILE A  95      35.599  71.724  95.477  1.00 21.03           C  
+ATOM    751  CG2 ILE A  95      37.721  72.964  95.986  1.00 24.41           C  
+ATOM    752  CD1 ILE A  95      35.354  72.465  94.167  1.00 24.47           C  
+ATOM    753  N   TYR A  96      38.643  71.922  98.993  1.00 18.60           N  
+ATOM    754  CA  TYR A  96      39.722  72.584  99.734  1.00 21.73           C  
+ATOM    755  C   TYR A  96      40.863  72.961  98.802  1.00 26.14           C  
+ATOM    756  O   TYR A  96      41.264  72.163  97.964  1.00 26.88           O  
+ATOM    757  CB  TYR A  96      40.266  71.656 100.827  1.00 24.58           C  
+ATOM    758  CG  TYR A  96      39.311  71.412 101.965  1.00 24.01           C  
+ATOM    759  CD1 TYR A  96      38.286  70.484 101.846  1.00 26.57           C  
+ATOM    760  CD2 TYR A  96      39.438  72.107 103.165  1.00 33.30           C  
+ATOM    761  CE1 TYR A  96      37.418  70.246 102.884  1.00 32.84           C  
+ATOM    762  CE2 TYR A  96      38.562  71.880 104.217  1.00 28.96           C  
+ATOM    763  CZ  TYR A  96      37.557  70.946 104.069  1.00 34.38           C  
+ATOM    764  OH  TYR A  96      36.674  70.693 105.096  1.00 38.32           O  
+ATOM    765  N   VAL A  97      41.391  74.171  98.958  1.00 19.05           N  
+ATOM    766  CA  VAL A  97      42.460  74.650  98.112  1.00 20.87           C  
+ATOM    767  C   VAL A  97      43.705  74.912  98.933  1.00 23.87           C  
+ATOM    768  O   VAL A  97      43.646  75.591  99.965  1.00 28.49           O  
+ATOM    769  CB  VAL A  97      42.043  75.926  97.368  1.00 17.21           C  
+ATOM    770  CG1 VAL A  97      43.161  76.443  96.508  1.00 20.68           C  
+ATOM    771  CG2 VAL A  97      40.781  75.637  96.500  1.00 19.51           C  
+ATOM    772  N   PHE A  98      44.828  74.366  98.474  1.00 20.44           N  
+ATOM    773  CA  PHE A  98      46.097  74.465  99.186  1.00 25.99           C  
+ATOM    774  C   PHE A  98      47.097  75.256  98.378  1.00 30.31           C  
+ATOM    775  O   PHE A  98      47.278  75.013  97.186  1.00 28.87           O  
+ATOM    776  CB  PHE A  98      46.681  73.070  99.450  1.00 25.09           C  
+ATOM    777  CG  PHE A  98      45.848  72.235 100.357  1.00 24.04           C  
+ATOM    778  CD1 PHE A  98      44.811  71.480  99.858  1.00 24.78           C  
+ATOM    779  CD2 PHE A  98      46.090  72.210 101.715  1.00 32.12           C  
+ATOM    780  CE1 PHE A  98      44.033  70.716 100.692  1.00 24.50           C  
+ATOM    781  CE2 PHE A  98      45.312  71.444 102.550  1.00 26.20           C  
+ATOM    782  CZ  PHE A  98      44.287  70.697 102.043  1.00 24.88           C  
+ATOM    783  N   LYS A  99      47.756  76.198  99.042  1.00 24.39           N  
+ATOM    784  CA  LYS A  99      48.849  76.943  98.452  1.00 24.67           C  
+ATOM    785  C   LYS A  99      49.907  77.120  99.543  1.00 35.68           C  
+ATOM    786  O   LYS A  99      49.656  77.771 100.567  1.00 32.68           O  
+ATOM    787  CB  LYS A  99      48.369  78.309  97.936  1.00 26.37           C  
+ATOM    788  CG  LYS A  99      49.448  79.100  97.211  1.00 25.00           C  
+ATOM    789  CD  LYS A  99      49.043  80.550  96.941  1.00 24.39           C  
+ATOM    790  CE  LYS A  99      50.183  81.352  96.327  1.00 22.82           C  
+ATOM    791  NZ  LYS A  99      49.803  82.763  96.001  1.00 25.23           N  
+ATOM    792  N   GLU A 100      51.075  76.516  99.342  1.00 46.76           N  
+ATOM    793  CA  GLU A 100      52.135  76.567 100.352  1.00 42.56           C  
+ATOM    794  C   GLU A 100      51.610  76.160 101.737  1.00 39.97           C  
+ATOM    795  O   GLU A 100      51.182  75.020 101.936  1.00 50.38           O  
+ATOM    796  CB  GLU A 100      52.734  77.971 100.400  1.00 51.28           C  
+ATOM    797  CG  GLU A 100      53.355  78.412  99.084  1.00 52.10           C  
+ATOM    798  CD  GLU A 100      53.359  79.921  98.910  1.00 58.30           C  
+ATOM    799  OE1 GLU A 100      52.811  80.628  99.787  1.00 58.58           O  
+ATOM    800  OE2 GLU A 100      53.900  80.397  97.886  1.00 57.82           O  
+ATOM    801  N   ASP A 101      51.627  77.097 102.686  1.00 58.36           N  
+ATOM    802  CA  ASP A 101      51.212  76.812 104.067  1.00 54.07           C  
+ATOM    803  C   ASP A 101      49.812  77.311 104.413  1.00 55.16           C  
+ATOM    804  O   ASP A 101      49.494  77.526 105.587  1.00 49.70           O  
+ATOM    805  CB  ASP A 101      52.213  77.400 105.069  1.00 66.26           C  
+ATOM    806  CG  ASP A 101      53.490  76.584 105.172  1.00 85.04           C  
+ATOM    807  OD1 ASP A 101      54.175  76.682 106.214  1.00 88.45           O  
+ATOM    808  OD2 ASP A 101      53.807  75.843 104.215  1.00 80.66           O  
+ATOM    809  N   GLU A 102      48.976  77.497 103.399  1.00 50.89           N  
+ATOM    810  CA  GLU A 102      47.614  77.962 103.627  1.00 40.40           C  
+ATOM    811  C   GLU A 102      46.605  76.981 103.027  1.00 38.52           C  
+ATOM    812  O   GLU A 102      46.783  76.482 101.919  1.00 33.48           O  
+ATOM    813  CB  GLU A 102      47.409  79.375 103.048  1.00 50.36           C  
+ATOM    814  CG  GLU A 102      48.343  80.470 103.613  1.00 51.37           C  
+ATOM    815  CD  GLU A 102      47.945  80.957 105.010  1.00 55.47           C  
+ATOM    816  OE1 GLU A 102      48.849  81.346 105.786  1.00 63.10           O  
+ATOM    817  OE2 GLU A 102      46.733  80.961 105.331  1.00 48.64           O  
+ATOM    818  N   VAL A 103      45.557  76.691 103.783  1.00 34.92           N  
+ATOM    819  CA  VAL A 103      44.423  75.957 103.261  1.00 41.57           C  
+ATOM    820  C   VAL A 103      43.268  76.937 103.153  1.00 39.67           C  
+ATOM    821  O   VAL A 103      43.073  77.761 104.047  1.00 36.54           O  
+ATOM    822  CB  VAL A 103      44.015  74.819 104.207  1.00 34.58           C  
+ATOM    823  CG1 VAL A 103      43.042  73.863 103.513  1.00 29.56           C  
+ATOM    824  CG2 VAL A 103      45.251  74.087 104.698  1.00 44.95           C  
+ATOM    825  N   ILE A 104      42.523  76.855 102.055  1.00 31.67           N  
+ATOM    826  CA  ILE A 104      41.275  77.611 101.881  1.00 37.56           C  
+ATOM    827  C   ILE A 104      40.103  76.658 101.792  1.00 34.62           C  
+ATOM    828  O   ILE A 104      40.134  75.704 101.004  1.00 32.84           O  
+ATOM    829  CB  ILE A 104      41.256  78.381 100.570  1.00 42.56           C  
+ATOM    830  CG1 ILE A 104      42.347  79.445 100.551  1.00 38.23           C  
+ATOM    831  CG2 ILE A 104      39.849  78.977 100.331  1.00 36.86           C  
+ATOM    832  CD1 ILE A 104      42.402  80.210  99.252  1.00 35.12           C  
+ATOM    833  N   GLU A 105      39.060  76.899 102.578  1.00 33.78           N  
+ATOM    834  CA  GLU A 105      37.872  76.066 102.482  1.00 35.12           C  
+ATOM    835  C   GLU A 105      36.852  76.728 101.557  1.00 40.81           C  
+ATOM    836  O   GLU A 105      35.999  77.492 102.003  1.00 42.17           O  
+ATOM    837  CB  GLU A 105      37.265  75.776 103.856  1.00 39.27           C  
+ATOM    838  CG  GLU A 105      36.092  74.800 103.782  1.00 42.33           C  
+ATOM    839  CD  GLU A 105      35.227  74.802 105.030  1.00 61.73           C  
+ATOM    840  OE1 GLU A 105      35.789  74.940 106.140  1.00 63.93           O  
+ATOM    841  OE2 GLU A 105      33.987  74.672 104.893  1.00 50.39           O  
+ATOM    842  N   TYR A 106      36.965  76.428 100.265  1.00 30.51           N  
+ATOM    843  CA  TYR A 106      36.124  77.010  99.222  1.00 27.91           C  
+ATOM    844  C   TYR A 106      34.628  76.885  99.548  1.00 20.92           C  
+ATOM    845  O   TYR A 106      34.140  75.830  99.950  1.00 30.70           O  
+ATOM    846  CB  TYR A 106      36.448  76.370  97.863  1.00 26.68           C  
+ATOM    847  CG  TYR A 106      35.733  76.991  96.687  1.00 18.27           C  
+ATOM    848  CD1 TYR A 106      36.074  78.256  96.223  1.00 22.31           C  
+ATOM    849  CD2 TYR A 106      34.706  76.315  96.042  1.00 25.78           C  
+ATOM    850  CE1 TYR A 106      35.417  78.828  95.147  1.00 25.91           C  
+ATOM    851  CE2 TYR A 106      34.057  76.871  94.960  1.00 21.14           C  
+ATOM    852  CZ  TYR A 106      34.403  78.128  94.519  1.00 22.09           C  
+ATOM    853  OH  TYR A 106      33.736  78.681  93.442  1.00 22.52           O  
+ATOM    854  N   ASP A 107      33.912  77.987  99.394  1.00 29.24           N  
+ATOM    855  CA  ASP A 107      32.509  78.013  99.773  1.00 31.29           C  
+ATOM    856  C   ASP A 107      31.755  78.775  98.679  1.00 33.99           C  
+ATOM    857  O   ASP A 107      30.856  79.575  98.959  1.00 27.51           O  
+ATOM    858  CB  ASP A 107      32.354  78.649 101.163  1.00 29.85           C  
+ATOM    859  CG  ASP A 107      31.233  78.018 101.986  1.00 39.37           C  
+ATOM    860  OD1 ASP A 107      30.604  77.040 101.520  1.00 38.44           O  
+ATOM    861  OD2 ASP A 107      30.978  78.505 103.114  1.00 34.97           O  
+ATOM    862  N   GLY A 108      32.140  78.508  97.430  1.00 24.35           N  
+ATOM    863  CA  GLY A 108      31.542  79.151  96.272  1.00 21.21           C  
+ATOM    864  C   GLY A 108      30.919  78.186  95.273  1.00 23.49           C  
+ATOM    865  O   GLY A 108      30.871  76.983  95.473  1.00 19.34           O  
+ATOM    866  N   GLU A 109      30.460  78.748  94.168  1.00 17.41           N  
+ATOM    867  CA  GLU A 109      29.776  78.025  93.124  1.00 17.04           C  
+ATOM    868  C   GLU A 109      30.680  76.924  92.560  1.00 20.33           C  
+ATOM    869  O   GLU A 109      31.859  77.153  92.315  1.00 19.73           O  
+ATOM    870  CB  GLU A 109      29.422  79.039  92.041  1.00 18.59           C  
+ATOM    871  CG  GLU A 109      28.570  78.557  90.910  1.00 24.05           C  
+ATOM    872  CD  GLU A 109      28.352  79.678  89.913  1.00 23.86           C  
+ATOM    873  OE1 GLU A 109      27.369  80.407  90.068  1.00 24.25           O  
+ATOM    874  OE2 GLU A 109      29.199  79.876  89.019  1.00 26.57           O  
+ATOM    875  N   PHE A 110      30.109  75.742  92.362  1.00 18.38           N  
+ATOM    876  CA  PHE A 110      30.840  74.594  91.824  1.00 19.27           C  
+ATOM    877  C   PHE A 110      30.648  74.621  90.318  1.00 19.11           C  
+ATOM    878  O   PHE A 110      29.894  73.821  89.761  1.00 18.97           O  
+ATOM    879  CB  PHE A 110      30.288  73.280  92.401  1.00 21.15           C  
+ATOM    880  CG  PHE A 110      31.278  72.126  92.373  1.00 22.51           C  
+ATOM    881  CD1 PHE A 110      32.033  71.856  91.228  1.00 21.34           C  
+ATOM    882  CD2 PHE A 110      31.453  71.321  93.492  1.00 25.82           C  
+ATOM    883  CE1 PHE A 110      32.960  70.805  91.202  1.00 21.15           C  
+ATOM    884  CE2 PHE A 110      32.345  70.252  93.473  1.00 21.09           C  
+ATOM    885  CZ  PHE A 110      33.115  69.999  92.326  1.00 22.57           C  
+ATOM    886  N   SER A 111      31.310  75.574  89.665  1.00 15.44           N  
+ATOM    887  CA  SER A 111      31.291  75.645  88.214  1.00 16.61           C  
+ATOM    888  C   SER A 111      32.716  75.840  87.723  1.00 15.47           C  
+ATOM    889  O   SER A 111      33.575  76.381  88.443  1.00 15.80           O  
+ATOM    890  CB  SER A 111      30.428  76.811  87.733  1.00 21.28           C  
+ATOM    891  OG  SER A 111      31.008  78.036  88.149  1.00 27.84           O  
+ATOM    892  N   ALA A 112      32.967  75.395  86.504  1.00 14.35           N  
+ATOM    893  CA  ALA A 112      34.304  75.527  85.933  1.00 18.66           C  
+ATOM    894  C   ALA A 112      34.712  76.992  85.869  1.00 19.48           C  
+ATOM    895  O   ALA A 112      35.799  77.338  86.282  1.00 15.55           O  
+ATOM    896  CB  ALA A 112      34.375  74.887  84.551  1.00 21.01           C  
+ATOM    897  N   ASP A 113      33.859  77.858  85.341  1.00 17.23           N  
+ATOM    898  CA AASP A 113      34.134  79.305  85.258  0.55 19.14           C  
+ATOM    899  CA BASP A 113      34.319  79.235  85.219  0.45 18.90           C  
+ATOM    900  C   ASP A 113      34.624  79.882  86.572  1.00 19.22           C  
+ATOM    901  O   ASP A 113      35.631  80.578  86.669  1.00 18.91           O  
+ATOM    902  CB AASP A 113      32.838  80.054  84.919  0.55 20.64           C  
+ATOM    903  CB BASP A 113      33.408  80.102  84.344  0.45 22.09           C  
+ATOM    904  CG AASP A 113      32.497  80.004  83.459  0.55 25.39           C  
+ATOM    905  CG BASP A 113      31.978  80.024  84.756  0.45 19.53           C  
+ATOM    906  OD1AASP A 113      31.449  80.576  83.080  0.55 26.50           O  
+ATOM    907  OD1BASP A 113      31.728  79.539  85.876  0.45 22.35           O  
+ATOM    908  OD2AASP A 113      33.273  79.403  82.690  0.55 19.90           O  
+ATOM    909  OD2BASP A 113      31.109  80.439  83.958  0.45 27.65           O  
+ATOM    910  N   THR A 114      33.833  79.616  87.604  1.00 17.56           N  
+ATOM    911  CA  THR A 114      34.059  80.226  88.908  1.00 17.00           C  
+ATOM    912  C   THR A 114      35.308  79.673  89.578  1.00 20.75           C  
+ATOM    913  O   THR A 114      36.123  80.427  90.119  1.00 16.37           O  
+ATOM    914  CB  THR A 114      32.814  80.090  89.810  1.00 18.32           C  
+ATOM    915  OG1 THR A 114      31.730  80.797  89.192  1.00 22.49           O  
+ATOM    916  CG2 THR A 114      33.071  80.697  91.191  1.00 21.35           C  
+ATOM    917  N   LEU A 115      35.472  78.358  89.507  1.00 18.63           N  
+ATOM    918  CA  LEU A 115      36.643  77.713  90.074  1.00 18.32           C  
+ATOM    919  C   LEU A 115      37.932  78.166  89.395  1.00 14.13           C  
+ATOM    920  O   LEU A 115      38.928  78.440  90.071  1.00 14.89           O  
+ATOM    921  CB  LEU A 115      36.491  76.189  90.026  1.00 15.28           C  
+ATOM    922  CG  LEU A 115      35.628  75.603  91.146  1.00 20.37           C  
+ATOM    923  CD1 LEU A 115      35.263  74.147  90.860  1.00 29.34           C  
+ATOM    924  CD2 LEU A 115      36.360  75.719  92.490  1.00 27.71           C  
+ATOM    925  N   VAL A 116      37.919  78.248  88.068  1.00 16.37           N  
+ATOM    926  CA  VAL A 116      39.112  78.694  87.345  1.00 15.38           C  
+ATOM    927  C   VAL A 116      39.467  80.137  87.713  1.00 19.50           C  
+ATOM    928  O   VAL A 116      40.619  80.429  88.018  1.00 16.86           O  
+ATOM    929  CB  VAL A 116      38.963  78.521  85.810  1.00 18.90           C  
+ATOM    930  CG1 VAL A 116      40.068  79.296  85.056  1.00 17.06           C  
+ATOM    931  CG2 VAL A 116      38.971  77.038  85.451  1.00 16.12           C  
+ATOM    932  N   GLU A 117      38.483  81.031  87.713  1.00 17.41           N  
+ATOM    933  CA  GLU A 117      38.778  82.420  88.099  1.00 25.22           C  
+ATOM    934  C   GLU A 117      39.349  82.479  89.516  1.00 19.44           C  
+ATOM    935  O   GLU A 117      40.353  83.166  89.777  1.00 20.05           O  
+ATOM    936  CB  GLU A 117      37.530  83.314  87.986  1.00 20.43           C  
+ATOM    937  CG  GLU A 117      37.035  83.478  86.568  1.00 30.19           C  
+ATOM    938  CD  GLU A 117      36.153  84.701  86.404  1.00 51.33           C  
+ATOM    939  OE1 GLU A 117      35.153  84.620  85.660  1.00 40.67           O  
+ATOM    940  OE2 GLU A 117      36.467  85.743  87.021  1.00 63.65           O  
+ATOM    941  N   PHE A 118      38.715  81.741  90.425  1.00 17.86           N  
+ATOM    942  CA  PHE A 118      39.178  81.662  91.808  1.00 15.43           C  
+ATOM    943  C   PHE A 118      40.626  81.175  91.918  1.00 19.09           C  
+ATOM    944  O   PHE A 118      41.463  81.800  92.574  1.00 19.68           O  
+ATOM    945  CB  PHE A 118      38.230  80.787  92.655  1.00 16.49           C  
+ATOM    946  CG  PHE A 118      38.580  80.776  94.122  1.00 16.98           C  
+ATOM    947  CD1 PHE A 118      38.353  81.893  94.908  1.00 19.75           C  
+ATOM    948  CD2 PHE A 118      39.177  79.663  94.705  1.00 19.51           C  
+ATOM    949  CE1 PHE A 118      38.687  81.886  96.264  1.00 21.31           C  
+ATOM    950  CE2 PHE A 118      39.514  79.652  96.050  1.00 19.29           C  
+ATOM    951  CZ  PHE A 118      39.274  80.770  96.828  1.00 24.01           C  
+ATOM    952  N   LEU A 119      40.938  80.061  91.265  1.00 19.09           N  
+ATOM    953  CA  LEU A 119      42.286  79.505  91.372  1.00 16.29           C  
+ATOM    954  C   LEU A 119      43.325  80.417  90.727  1.00 18.34           C  
+ATOM    955  O   LEU A 119      44.453  80.506  91.207  1.00 20.80           O  
+ATOM    956  CB  LEU A 119      42.326  78.095  90.773  1.00 18.95           C  
+ATOM    957  CG  LEU A 119      41.476  77.148  91.624  1.00 17.38           C  
+ATOM    958  CD1 LEU A 119      41.126  75.872  90.883  1.00 16.19           C  
+ATOM    959  CD2 LEU A 119      42.195  76.845  92.956  1.00 19.61           C  
+ATOM    960  N   LEU A 120      42.952  81.095  89.641  1.00 18.09           N  
+ATOM    961  CA  LEU A 120      43.835  82.122  89.065  1.00 19.70           C  
+ATOM    962  C   LEU A 120      44.121  83.234  90.088  1.00 20.07           C  
+ATOM    963  O   LEU A 120      45.252  83.729  90.197  1.00 17.64           O  
+ATOM    964  CB  LEU A 120      43.245  82.693  87.775  1.00 19.83           C  
+ATOM    965  CG  LEU A 120      43.323  81.730  86.576  1.00 23.08           C  
+ATOM    966  CD1 LEU A 120      42.435  82.175  85.414  1.00 20.75           C  
+ATOM    967  CD2 LEU A 120      44.765  81.585  86.120  1.00 24.06           C  
+ATOM    968  N   ASP A 121      43.099  83.622  90.843  1.00 17.26           N  
+ATOM    969  CA  ASP A 121      43.295  84.582  91.935  1.00 22.59           C  
+ATOM    970  C   ASP A 121      44.181  84.005  93.046  1.00 20.97           C  
+ATOM    971  O   ASP A 121      45.027  84.699  93.602  1.00 20.00           O  
+ATOM    972  CB  ASP A 121      41.953  85.033  92.529  1.00 23.04           C  
+ATOM    973  CG  ASP A 121      41.135  85.869  91.563  1.00 23.55           C  
+ATOM    974  OD1 ASP A 121      41.708  86.458  90.619  1.00 21.38           O  
+ATOM    975  OD2 ASP A 121      39.911  85.932  91.761  1.00 22.25           O  
+ATOM    976  N   VAL A 122      43.995  82.734  93.383  1.00 16.01           N  
+ATOM    977  CA  VAL A 122      44.851  82.126  94.406  1.00 26.33           C  
+ATOM    978  C   VAL A 122      46.344  82.185  94.005  1.00 23.30           C  
+ATOM    979  O   VAL A 122      47.236  82.468  94.828  1.00 19.08           O  
+ATOM    980  CB  VAL A 122      44.430  80.659  94.696  1.00 21.80           C  
+ATOM    981  CG1 VAL A 122      45.424  79.979  95.627  1.00 19.98           C  
+ATOM    982  CG2 VAL A 122      43.039  80.613  95.309  1.00 21.10           C  
+ATOM    983  N   LEU A 123      46.609  81.923  92.733  1.00 21.36           N  
+ATOM    984  CA  LEU A 123      47.981  81.922  92.226  1.00 21.59           C  
+ATOM    985  C   LEU A 123      48.706  83.257  92.397  1.00 31.42           C  
+ATOM    986  O   LEU A 123      49.935  83.297  92.514  1.00 25.74           O  
+ATOM    987  CB  LEU A 123      47.999  81.524  90.755  1.00 21.39           C  
+ATOM    988  CG  LEU A 123      47.897  80.037  90.411  1.00 24.53           C  
+ATOM    989  CD1 LEU A 123      47.604  79.882  88.927  1.00 24.43           C  
+ATOM    990  CD2 LEU A 123      49.170  79.273  90.795  1.00 24.97           C  
+ATOM    991  N   GLU A 124      47.954  84.348  92.391  1.00 23.83           N  
+ATOM    992  CA  GLU A 124      48.544  85.679  92.487  1.00 29.72           C  
+ATOM    993  C   GLU A 124      49.183  85.923  93.855  1.00 23.81           C  
+ATOM    994  O   GLU A 124      48.772  85.330  94.856  1.00 23.21           O  
+ATOM    995  CB  GLU A 124      47.485  86.753  92.210  1.00 25.50           C  
+ATOM    996  CG  GLU A 124      47.014  86.798  90.774  1.00 23.90           C  
+ATOM    997  CD  GLU A 124      48.162  87.044  89.798  1.00 48.59           C  
+ATOM    998  OE1 GLU A 124      48.911  88.022  89.992  1.00 39.87           O  
+ATOM    999  OE2 GLU A 124      48.328  86.252  88.842  1.00 49.55           O  
+ATOM   1000  N   ASP A 125      50.173  86.812  93.903  1.00 25.85           N  
+ATOM   1001  CA  ASP A 125      50.782  87.190  95.180  1.00 21.38           C  
+ATOM   1002  C   ASP A 125      49.737  87.848  96.070  1.00 23.81           C  
+ATOM   1003  O   ASP A 125      48.853  88.534  95.577  1.00 23.47           O  
+ATOM   1004  CB  ASP A 125      51.963  88.150  94.965  1.00 27.91           C  
+ATOM   1005  CG  ASP A 125      53.156  87.473  94.324  1.00 35.28           C  
+ATOM   1006  OD1 ASP A 125      53.209  86.227  94.347  1.00 30.81           O  
+ATOM   1007  OD2 ASP A 125      54.039  88.184  93.803  1.00 34.49           O  
+ATOM   1008  N   PRO A 126      49.839  87.642  97.392  1.00 24.80           N  
+ATOM   1009  CA  PRO A 126      48.791  88.086  98.323  1.00 23.46           C  
+ATOM   1010  C   PRO A 126      48.694  89.604  98.506  1.00 26.80           C  
+ATOM   1011  O   PRO A 126      47.628  90.087  98.864  1.00 24.28           O  
+ATOM   1012  CB  PRO A 126      49.196  87.427  99.647  1.00 26.86           C  
+ATOM   1013  CG  PRO A 126      50.691  87.282  99.538  1.00 33.97           C  
+ATOM   1014  CD  PRO A 126      50.937  86.945  98.079  1.00 26.29           C  
+ATOM   1015  N   VAL A 127      49.780  90.347  98.308  1.00 22.79           N  
+ATOM   1016  CA  VAL A 127      49.702  91.802  98.432  1.00 24.42           C  
+ATOM   1017  C   VAL A 127      49.886  92.461  97.076  1.00 23.06           C  
+ATOM   1018  O   VAL A 127      50.796  92.113  96.329  1.00 22.52           O  
+ATOM   1019  CB  VAL A 127      50.740  92.348  99.457  1.00 19.22           C  
+ATOM   1020  CG1 VAL A 127      50.770  93.898  99.449  1.00 18.97           C  
+ATOM   1021  CG2 VAL A 127      50.426  91.810 100.844  1.00 18.54           C  
+ATOM   1022  N   GLU A 128      49.006  93.401  96.749  1.00 20.06           N  
+ATOM   1023  CA  GLU A 128      49.169  94.185  95.543  1.00 24.16           C  
+ATOM   1024  C   GLU A 128      49.829  95.524  95.854  1.00 26.88           C  
+ATOM   1025  O   GLU A 128      49.331  96.326  96.636  1.00 18.93           O  
+ATOM   1026  CB  GLU A 128      47.836  94.381  94.812  1.00 27.10           C  
+ATOM   1027  CG  GLU A 128      47.190  93.066  94.429  1.00 38.95           C  
+ATOM   1028  CD  GLU A 128      45.808  93.247  93.842  1.00 54.68           C  
+ATOM   1029  OE1 GLU A 128      45.701  94.012  92.859  1.00 51.18           O  
+ATOM   1030  OE2 GLU A 128      44.841  92.632  94.368  1.00 50.41           O  
+ATOM   1031  N   LEU A 129      50.979  95.753  95.243  1.00 21.63           N  
+ATOM   1032  CA ALEU A 129      51.717  96.991  95.458  0.57 26.21           C  
+ATOM   1033  CA BLEU A 129      51.704  96.992  95.478  0.43 26.22           C  
+ATOM   1034  C   LEU A 129      51.192  98.079  94.539  1.00 29.01           C  
+ATOM   1035  O   LEU A 129      50.926  97.825  93.367  1.00 33.62           O  
+ATOM   1036  CB ALEU A 129      53.208  96.777  95.184  0.57 29.58           C  
+ATOM   1037  CB BLEU A 129      53.208  96.765  95.295  0.43 29.53           C  
+ATOM   1038  CG ALEU A 129      54.041  95.923  96.141  0.57 31.69           C  
+ATOM   1039  CG BLEU A 129      54.190  97.777  95.896  0.43 29.29           C  
+ATOM   1040  CD1ALEU A 129      54.054  96.548  97.526  0.57 26.68           C  
+ATOM   1041  CD1BLEU A 129      54.020  99.132  95.263  0.43 36.98           C  
+ATOM   1042  CD2ALEU A 129      53.557  94.490  96.202  0.57 34.23           C  
+ATOM   1043  CD2BLEU A 129      54.036  97.871  97.401  0.43 27.11           C  
+ATOM   1044  N   ILE A 130      51.046  99.288  95.071  1.00 24.08           N  
+ATOM   1045  CA  ILE A 130      50.615 100.438  94.286  1.00 25.38           C  
+ATOM   1046  C   ILE A 130      51.796 101.376  94.010  1.00 40.01           C  
+ATOM   1047  O   ILE A 130      52.335 102.007  94.927  1.00 39.63           O  
+ATOM   1048  CB  ILE A 130      49.510 101.237  95.007  1.00 28.69           C  
+ATOM   1049  CG1 ILE A 130      48.204 100.430  95.056  1.00 29.62           C  
+ATOM   1050  CG2 ILE A 130      49.278 102.582  94.314  1.00 31.46           C  
+ATOM   1051  CD1 ILE A 130      47.145 101.037  95.949  1.00 31.43           C  
+ATOM   1052  N   GLU A 131      52.193 101.467  92.747  1.00 38.67           N  
+ATOM   1053  CA  GLU A 131      53.255 102.393  92.351  1.00 45.15           C  
+ATOM   1054  C   GLU A 131      52.740 103.496  91.423  1.00 51.39           C  
+ATOM   1055  O   GLU A 131      52.922 104.686  91.698  1.00 56.38           O  
+ATOM   1056  CB  GLU A 131      54.396 101.634  91.674  1.00 57.52           C  
+ATOM   1057  CG  GLU A 131      55.072 100.613  92.575  1.00 55.35           C  
+ATOM   1058  CD  GLU A 131      55.941  99.641  91.809  1.00 60.08           C  
+ATOM   1059  OE1 GLU A 131      56.001  98.457  92.203  1.00 55.96           O  
+ATOM   1060  OE2 GLU A 131      56.570 100.062  90.815  1.00 74.38           O  
+ATOM   1061  N   GLY A 132      52.092 103.097  90.329  1.00 35.31           N  
+ATOM   1062  CA  GLY A 132      51.668 104.038  89.303  1.00 44.47           C  
+ATOM   1063  C   GLY A 132      50.313 104.678  89.538  1.00 49.21           C  
+ATOM   1064  O   GLY A 132      49.564 104.286  90.442  1.00 35.12           O  
+ATOM   1065  N   GLU A 133      49.995 105.679  88.724  1.00 36.55           N  
+ATOM   1066  CA  GLU A 133      48.686 106.313  88.799  1.00 44.38           C  
+ATOM   1067  C   GLU A 133      47.601 105.337  88.365  1.00 36.20           C  
+ATOM   1068  O   GLU A 133      46.525 105.309  88.951  1.00 39.55           O  
+ATOM   1069  CB  GLU A 133      48.638 107.594  87.964  1.00 45.97           C  
+ATOM   1070  CG  GLU A 133      48.619 108.864  88.807  1.00 55.76           C  
+ATOM   1071  CD  GLU A 133      47.329 109.023  89.609  1.00 62.69           C  
+ATOM   1072  OE1 GLU A 133      46.274 108.519  89.160  1.00 62.47           O  
+ATOM   1073  OE2 GLU A 133      47.368 109.654  90.690  1.00 59.84           O  
+ATOM   1074  N   ARG A 134      47.892 104.524  87.352  1.00 36.60           N  
+ATOM   1075  CA  ARG A 134      46.943 103.509  86.913  1.00 43.67           C  
+ATOM   1076  C   ARG A 134      46.524 102.626  88.095  1.00 33.38           C  
+ATOM   1077  O   ARG A 134      45.336 102.420  88.338  1.00 27.87           O  
+ATOM   1078  CB  ARG A 134      47.536 102.651  85.787  1.00 41.66           C  
+ATOM   1079  CG  ARG A 134      46.633 101.502  85.338  1.00 47.08           C  
+ATOM   1080  CD  ARG A 134      47.230 100.696  84.174  1.00 47.46           C  
+ATOM   1081  NE  ARG A 134      47.117 101.398  82.895  1.00 39.45           N  
+ATOM   1082  CZ  ARG A 134      48.141 101.908  82.218  1.00 55.52           C  
+ATOM   1083  NH1 ARG A 134      49.380 101.788  82.686  1.00 48.92           N  
+ATOM   1084  NH2 ARG A 134      47.924 102.536  81.066  1.00 51.39           N  
+ATOM   1085  N   GLU A 135      47.508 102.118  88.826  1.00 30.38           N  
+ATOM   1086  CA  GLU A 135      47.248 101.202  89.933  1.00 33.33           C  
+ATOM   1087  C   GLU A 135      46.518 101.858  91.097  1.00 29.04           C  
+ATOM   1088  O   GLU A 135      45.654 101.239  91.705  1.00 30.44           O  
+ATOM   1089  CB  GLU A 135      48.548 100.570  90.421  1.00 34.04           C  
+ATOM   1090  CG  GLU A 135      49.265  99.765  89.364  1.00 39.07           C  
+ATOM   1091  CD  GLU A 135      50.562  99.186  89.874  1.00 53.09           C  
+ATOM   1092  OE1 GLU A 135      50.863  98.026  89.519  1.00 58.06           O  
+ATOM   1093  OE2 GLU A 135      51.276  99.892  90.630  1.00 48.63           O  
+ATOM   1094  N   LEU A 136      46.868 103.099  91.416  1.00 29.49           N  
+ATOM   1095  CA  LEU A 136      46.171 103.833  92.472  1.00 26.65           C  
+ATOM   1096  C   LEU A 136      44.713 104.042  92.093  1.00 34.51           C  
+ATOM   1097  O   LEU A 136      43.799 103.813  92.894  1.00 27.31           O  
+ATOM   1098  CB  LEU A 136      46.834 105.190  92.726  1.00 29.77           C  
+ATOM   1099  CG  LEU A 136      46.077 106.135  93.668  1.00 25.04           C  
+ATOM   1100  CD1 LEU A 136      45.967 105.545  95.066  1.00 32.13           C  
+ATOM   1101  CD2 LEU A 136      46.746 107.523  93.722  1.00 39.44           C  
+ATOM   1102  N   GLN A 137      44.499 104.484  90.861  1.00 25.59           N  
+ATOM   1103  CA  GLN A 137      43.148 104.696  90.375  1.00 32.44           C  
+ATOM   1104  C   GLN A 137      42.346 103.410  90.472  1.00 28.84           C  
+ATOM   1105  O   GLN A 137      41.187 103.427  90.891  1.00 27.58           O  
+ATOM   1106  CB  GLN A 137      43.165 105.198  88.934  1.00 32.24           C  
+ATOM   1107  CG  GLN A 137      43.356 106.681  88.849  1.00 46.56           C  
+ATOM   1108  CD  GLN A 137      42.445 107.405  89.814  1.00 60.34           C  
+ATOM   1109  OE1 GLN A 137      41.227 107.167  89.838  1.00 54.07           O  
+ATOM   1110  NE2 GLN A 137      43.028 108.278  90.638  1.00 52.77           N  
+ATOM   1111  N   ALA A 138      42.956 102.303  90.061  1.00 30.44           N  
+ATOM   1112  CA  ALA A 138      42.293 101.009  90.147  1.00 29.45           C  
+ATOM   1113  C   ALA A 138      41.901 100.708  91.591  1.00 27.88           C  
+ATOM   1114  O   ALA A 138      40.779 100.269  91.864  1.00 24.72           O  
+ATOM   1115  CB  ALA A 138      43.171  99.935  89.609  1.00 30.06           C  
+ATOM   1116  N   PHE A 139      42.820 100.946  92.515  1.00 25.68           N  
+ATOM   1117  CA  PHE A 139      42.506 100.739  93.932  1.00 25.18           C  
+ATOM   1118  C   PHE A 139      41.324 101.602  94.355  1.00 23.44           C  
+ATOM   1119  O   PHE A 139      40.378 101.137  95.001  1.00 21.22           O  
+ATOM   1120  CB  PHE A 139      43.696 101.068  94.839  1.00 22.97           C  
+ATOM   1121  CG  PHE A 139      43.313 101.160  96.285  1.00 22.45           C  
+ATOM   1122  CD1 PHE A 139      43.174 100.004  97.050  1.00 17.39           C  
+ATOM   1123  CD2 PHE A 139      43.031 102.387  96.865  1.00 22.73           C  
+ATOM   1124  CE1 PHE A 139      42.791 100.078  98.385  1.00 18.13           C  
+ATOM   1125  CE2 PHE A 139      42.637 102.472  98.195  1.00 22.43           C  
+ATOM   1126  CZ  PHE A 139      42.511 101.313  98.955  1.00 18.41           C  
+ATOM   1127  N   GLU A 140      41.385 102.881  94.020  1.00 23.50           N  
+ATOM   1128  CA  GLU A 140      40.309 103.783  94.413  1.00 23.86           C  
+ATOM   1129  C   GLU A 140      38.962 103.342  93.828  1.00 26.79           C  
+ATOM   1130  O   GLU A 140      37.929 103.476  94.476  1.00 26.36           O  
+ATOM   1131  CB  GLU A 140      40.651 105.232  94.044  1.00 30.63           C  
+ATOM   1132  CG  GLU A 140      41.813 105.803  94.853  1.00 31.93           C  
+ATOM   1133  CD  GLU A 140      42.314 107.157  94.336  1.00 45.22           C  
+ATOM   1134  OE1 GLU A 140      42.241 107.412  93.113  1.00 42.19           O  
+ATOM   1135  OE2 GLU A 140      42.793 107.965  95.161  1.00 50.09           O  
+ATOM   1136  N   ASN A 141      38.968 102.773  92.628  1.00 23.78           N  
+ATOM   1137  CA  ASN A 141      37.699 102.365  91.995  1.00 32.57           C  
+ATOM   1138  C   ASN A 141      37.019 101.097  92.555  1.00 29.41           C  
+ATOM   1139  O   ASN A 141      35.850 100.835  92.274  1.00 26.18           O  
+ATOM   1140  CB  ASN A 141      37.859 102.256  90.474  1.00 31.66           C  
+ATOM   1141  CG  ASN A 141      38.049 103.612  89.813  1.00 48.48           C  
+ATOM   1142  OD1 ASN A 141      37.603 104.638  90.334  1.00 48.79           O  
+ATOM   1143  ND2 ASN A 141      38.707 103.623  88.657  1.00 45.75           N  
+ATOM   1144  N   ILE A 142      37.735 100.318  93.355  1.00 22.11           N  
+ATOM   1145  CA  ILE A 142      37.132  99.155  93.992  1.00 18.81           C  
+ATOM   1146  C   ILE A 142      36.088  99.565  95.035  1.00 20.43           C  
+ATOM   1147  O   ILE A 142      36.394 100.342  95.929  1.00 24.54           O  
+ATOM   1148  CB  ILE A 142      38.194  98.294  94.697  1.00 16.91           C  
+ATOM   1149  CG1 ILE A 142      39.198  97.745  93.682  1.00 23.41           C  
+ATOM   1150  CG2 ILE A 142      37.531  97.162  95.485  1.00 16.71           C  
+ATOM   1151  CD1 ILE A 142      40.326  96.977  94.311  1.00 24.10           C  
+ATOM   1152  N   GLU A 143      34.858  99.059  94.916  1.00 19.34           N  
+ATOM   1153  CA  GLU A 143      33.866  99.281  95.971  1.00 24.33           C  
+ATOM   1154  C   GLU A 143      33.057  98.058  96.385  1.00 20.92           C  
+ATOM   1155  O   GLU A 143      32.472  98.056  97.462  1.00 22.95           O  
+ATOM   1156  CB  GLU A 143      32.926 100.430  95.622  1.00 29.51           C  
+ATOM   1157  CG  GLU A 143      32.227 100.255  94.313  1.00 32.25           C  
+ATOM   1158  CD  GLU A 143      31.427 101.483  93.938  0.34 36.36           C  
+ATOM   1159  OE1 GLU A 143      30.322 101.640  94.479  1.00 31.99           O  
+ATOM   1160  OE2 GLU A 143      31.904 102.299  93.120  1.00 51.61           O  
+ATOM   1161  N   ASP A 144      33.055  96.999  95.581  1.00 17.71           N  
+ATOM   1162  CA  ASP A 144      32.144  95.887  95.868  1.00 20.08           C  
+ATOM   1163  C   ASP A 144      32.736  94.812  96.760  1.00 25.46           C  
+ATOM   1164  O   ASP A 144      32.166  93.731  96.938  1.00 23.67           O  
+ATOM   1165  CB  ASP A 144      31.543  95.303  94.583  1.00 21.65           C  
+ATOM   1166  CG  ASP A 144      32.535  94.505  93.761  1.00 29.02           C  
+ATOM   1167  OD1 ASP A 144      33.559  94.047  94.305  1.00 24.52           O  
+ATOM   1168  OD2 ASP A 144      32.251  94.304  92.565  1.00 23.18           O  
+ATOM   1169  N   GLU A 145      33.894  95.121  97.330  1.00 22.04           N  
+ATOM   1170  CA  GLU A 145      34.494  94.255  98.314  1.00 21.57           C  
+ATOM   1171  C   GLU A 145      35.249  95.130  99.313  1.00 17.63           C  
+ATOM   1172  O   GLU A 145      35.614  96.276  99.013  1.00 17.34           O  
+ATOM   1173  CB  GLU A 145      35.451  93.251  97.651  1.00 21.57           C  
+ATOM   1174  CG  GLU A 145      36.600  93.928  96.887  1.00 24.74           C  
+ATOM   1175  CD  GLU A 145      37.365  92.977  95.951  1.00 29.32           C  
+ATOM   1176  OE1 GLU A 145      37.270  91.755  96.137  1.00 35.94           O  
+ATOM   1177  OE2 GLU A 145      38.069  93.468  95.036  1.00 29.38           O  
+ATOM   1178  N   ILE A 146      35.431  94.583 100.503  1.00 15.82           N  
+ATOM   1179  CA  ILE A 146      36.354  95.118 101.498  1.00 16.79           C  
+ATOM   1180  C   ILE A 146      37.742  95.193 100.884  1.00 21.15           C  
+ATOM   1181  O   ILE A 146      38.124  94.308 100.107  1.00 18.59           O  
+ATOM   1182  CB  ILE A 146      36.384  94.155 102.705  1.00 17.49           C  
+ATOM   1183  CG1 ILE A 146      35.026  94.214 103.439  1.00 20.53           C  
+ATOM   1184  CG2 ILE A 146      37.597  94.422 103.625  1.00 17.63           C  
+ATOM   1185  CD1 ILE A 146      34.728  92.988 104.289  1.00 22.98           C  
+ATOM   1186  N   LYS A 147      38.500  96.236 101.229  1.00 16.48           N  
+ATOM   1187  CA  LYS A 147      39.898  96.334 100.784  1.00 16.61           C  
+ATOM   1188  C   LYS A 147      40.712  96.999 101.884  1.00 15.81           C  
+ATOM   1189  O   LYS A 147      40.177  97.776 102.674  1.00 16.19           O  
+ATOM   1190  CB  LYS A 147      40.003  97.150  99.490  1.00 15.94           C  
+ATOM   1191  CG  LYS A 147      39.458  98.591  99.610  1.00 16.29           C  
+ATOM   1192  CD  LYS A 147      39.286  99.269  98.257  1.00 16.33           C  
+ATOM   1193  CE  LYS A 147      38.788 100.714  98.418  1.00 22.01           C  
+ATOM   1194  NZ  LYS A 147      38.608 101.420  97.116  1.00 20.51           N  
+ATOM   1195  N   LEU A 148      41.995  96.668 101.953  1.00 13.45           N  
+ATOM   1196  CA  LEU A 148      42.861  97.282 102.958  1.00 15.98           C  
+ATOM   1197  C   LEU A 148      44.036  97.888 102.230  1.00 16.09           C  
+ATOM   1198  O   LEU A 148      44.474  97.346 101.219  1.00 17.18           O  
+ATOM   1199  CB  LEU A 148      43.375  96.231 103.935  1.00 15.22           C  
+ATOM   1200  CG  LEU A 148      42.384  95.789 105.016  1.00 18.93           C  
+ATOM   1201  CD1 LEU A 148      41.467  94.657 104.540  1.00 16.31           C  
+ATOM   1202  CD2 LEU A 148      43.146  95.371 106.234  1.00 17.77           C  
+ATOM   1203  N   ILE A 149      44.560  98.997 102.741  1.00 14.58           N  
+ATOM   1204  CA  ILE A 149      45.746  99.595 102.132  1.00 13.97           C  
+ATOM   1205  C   ILE A 149      46.668 100.075 103.251  1.00 18.90           C  
+ATOM   1206  O   ILE A 149      46.218 100.735 104.187  1.00 19.23           O  
+ATOM   1207  CB  ILE A 149      45.374 100.757 101.157  1.00 15.20           C  
+ATOM   1208  CG1 ILE A 149      46.624 101.446 100.590  1.00 25.33           C  
+ATOM   1209  CG2 ILE A 149      44.527 101.839 101.859  1.00 16.41           C  
+ATOM   1210  CD1 ILE A 149      47.432 100.620  99.666  1.00 26.95           C  
+ATOM   1211  N   GLY A 150      47.940  99.695 103.189  1.00 15.41           N  
+ATOM   1212  CA  GLY A 150      48.905 100.190 104.158  1.00 15.24           C  
+ATOM   1213  C   GLY A 150      50.067 100.902 103.483  1.00 17.15           C  
+ATOM   1214  O   GLY A 150      50.397 100.620 102.343  1.00 17.76           O  
+ATOM   1215  N   TYR A 151      50.683 101.827 104.212  1.00 17.60           N  
+ATOM   1216  CA  TYR A 151      51.879 102.531 103.758  1.00 15.83           C  
+ATOM   1217  C   TYR A 151      53.033 102.086 104.645  1.00 13.57           C  
+ATOM   1218  O   TYR A 151      52.958 102.215 105.874  1.00 15.68           O  
+ATOM   1219  CB  TYR A 151      51.650 104.036 103.907  1.00 16.46           C  
+ATOM   1220  CG  TYR A 151      52.876 104.897 103.728  1.00 20.13           C  
+ATOM   1221  CD1 TYR A 151      53.890 104.542 102.832  1.00 18.16           C  
+ATOM   1222  CD2 TYR A 151      53.030 106.066 104.466  1.00 22.13           C  
+ATOM   1223  CE1 TYR A 151      55.010 105.334 102.677  1.00 24.17           C  
+ATOM   1224  CE2 TYR A 151      54.151 106.870 104.312  1.00 22.61           C  
+ATOM   1225  CZ  TYR A 151      55.133 106.504 103.414  1.00 31.77           C  
+ATOM   1226  OH  TYR A 151      56.255 107.301 103.266  1.00 28.94           O  
+ATOM   1227  N   PHE A 152      54.092 101.557 104.030  1.00 16.67           N  
+ATOM   1228  CA  PHE A 152      55.267 101.080 104.762  1.00 15.46           C  
+ATOM   1229  C   PHE A 152      56.567 101.594 104.109  1.00 16.91           C  
+ATOM   1230  O   PHE A 152      56.558 102.083 102.989  1.00 18.59           O  
+ATOM   1231  CB  PHE A 152      55.267  99.550 104.831  1.00 14.34           C  
+ATOM   1232  CG  PHE A 152      53.960  98.962 105.321  1.00 16.68           C  
+ATOM   1233  CD1 PHE A 152      53.673  98.913 106.673  1.00 20.16           C  
+ATOM   1234  CD2 PHE A 152      53.011  98.495 104.419  1.00 16.69           C  
+ATOM   1235  CE1 PHE A 152      52.472  98.391 107.125  1.00 17.86           C  
+ATOM   1236  CE2 PHE A 152      51.820  97.953 104.864  1.00 17.35           C  
+ATOM   1237  CZ  PHE A 152      51.545  97.903 106.213  1.00 18.58           C  
+ATOM   1238  N   LYS A 153      57.672 101.508 104.835  1.00 20.25           N  
+ATOM   1239  CA  LYS A 153      58.931 102.072 104.354  1.00 17.51           C  
+ATOM   1240  C   LYS A 153      59.370 101.397 103.054  1.00 17.65           C  
+ATOM   1241  O   LYS A 153      59.714 102.065 102.072  1.00 20.60           O  
+ATOM   1242  CB  LYS A 153      60.006 101.933 105.439  1.00 21.49           C  
+ATOM   1243  CG  LYS A 153      61.290 102.686 105.120  1.00 25.98           C  
+ATOM   1244  CD  LYS A 153      62.273 102.585 106.272  1.00 22.77           C  
+ATOM   1245  CE  LYS A 153      63.572 103.325 105.909  1.00 25.79           C  
+ATOM   1246  NZ  LYS A 153      64.473 103.303 107.078  1.00 23.16           N  
+ATOM   1247  N   ASN A 154      59.335 100.069 103.069  1.00 20.40           N  
+ATOM   1248  CA  ASN A 154      59.749  99.217 101.943  1.00 20.34           C  
+ATOM   1249  C   ASN A 154      59.429  97.778 102.316  1.00 18.97           C  
+ATOM   1250  O   ASN A 154      58.968  97.531 103.427  1.00 19.81           O  
+ATOM   1251  CB  ASN A 154      61.254  99.373 101.673  1.00 21.40           C  
+ATOM   1252  CG  ASN A 154      62.085  99.151 102.908  1.00 20.14           C  
+ATOM   1253  OD1 ASN A 154      61.871  98.187 103.653  1.00 22.34           O  
+ATOM   1254  ND2 ASN A 154      63.054 100.047 103.144  1.00 23.82           N  
+ATOM   1255  N   LYS A 155      59.671  96.832 101.405  1.00 16.56           N  
+ATOM   1256  CA  LYS A 155      59.265  95.437 101.610  1.00 18.18           C  
+ATOM   1257  C   LYS A 155      59.976  94.793 102.802  1.00 23.56           C  
+ATOM   1258  O   LYS A 155      59.610  93.705 103.243  1.00 19.23           O  
+ATOM   1259  CB  LYS A 155      59.562  94.598 100.360  1.00 21.39           C  
+ATOM   1260  CG  LYS A 155      61.077  94.275 100.215  1.00 19.65           C  
+ATOM   1261  CD  LYS A 155      61.379  93.353  99.042  1.00 28.14           C  
+ATOM   1262  CE  LYS A 155      62.894  93.271  98.761  1.00 24.62           C  
+ATOM   1263  NZ  LYS A 155      63.675  92.721  99.900  1.00 24.51           N  
+ATOM   1264  N   ASP A 156      61.010  95.447 103.319  1.00 20.22           N  
+ATOM   1265  CA  ASP A 156      61.776  94.845 104.394  1.00 20.28           C  
+ATOM   1266  C   ASP A 156      61.341  95.360 105.760  1.00 25.08           C  
+ATOM   1267  O   ASP A 156      61.835  94.913 106.792  1.00 27.39           O  
+ATOM   1268  CB  ASP A 156      63.282  95.045 104.141  1.00 22.71           C  
+ATOM   1269  CG  ASP A 156      63.695  94.492 102.790  1.00 21.40           C  
+ATOM   1270  OD1 ASP A 156      63.566  93.272 102.621  1.00 22.99           O  
+ATOM   1271  OD2 ASP A 156      64.085  95.265 101.888  1.00 23.71           O  
+ATOM   1272  N   SER A 157      60.399  96.294 105.756  1.00 20.84           N  
+ATOM   1273  CA  SER A 157      59.813  96.772 106.995  1.00 17.79           C  
+ATOM   1274  C   SER A 157      59.169  95.619 107.746  1.00 21.66           C  
+ATOM   1275  O   SER A 157      58.398  94.841 107.177  1.00 22.07           O  
+ATOM   1276  CB  SER A 157      58.748  97.831 106.712  1.00 18.30           C  
+ATOM   1277  OG  SER A 157      58.010  98.103 107.889  1.00 23.87           O  
+ATOM   1278  N   GLU A 158      59.481  95.525 109.032  1.00 17.62           N  
+ATOM   1279  CA  GLU A 158      58.865  94.543 109.910  1.00 21.17           C  
+ATOM   1280  C   GLU A 158      57.330  94.681 109.857  1.00 20.82           C  
+ATOM   1281  O   GLU A 158      56.590  93.705 109.984  1.00 20.19           O  
+ATOM   1282  CB  GLU A 158      59.368  94.773 111.333  1.00 25.60           C  
+ATOM   1283  CG  GLU A 158      58.538  94.164 112.434  1.00 39.76           C  
+ATOM   1284  CD  GLU A 158      58.818  94.811 113.800  1.00 50.95           C  
+ATOM   1285  OE1 GLU A 158      59.667  95.734 113.875  1.00 48.41           O  
+ATOM   1286  OE2 GLU A 158      58.181  94.395 114.798  1.00 53.26           O  
+ATOM   1287  N   HIS A 159      56.858  95.899 109.656  1.00 19.35           N  
+ATOM   1288  CA  HIS A 159      55.411  96.127 109.652  1.00 22.71           C  
+ATOM   1289  C   HIS A 159      54.778  95.746 108.322  1.00 19.67           C  
+ATOM   1290  O   HIS A 159      53.603  95.358 108.250  1.00 18.30           O  
+ATOM   1291  CB  HIS A 159      55.122  97.567 110.053  1.00 16.06           C  
+ATOM   1292  CG  HIS A 159      55.803  97.958 111.326  1.00 19.99           C  
+ATOM   1293  ND1 HIS A 159      55.724  97.189 112.470  1.00 22.81           N  
+ATOM   1294  CD2 HIS A 159      56.639  98.985 111.619  1.00 23.12           C  
+ATOM   1295  CE1 HIS A 159      56.448  97.748 113.424  1.00 22.86           C  
+ATOM   1296  NE2 HIS A 159      57.016  98.837 112.933  1.00 25.29           N  
+ATOM   1297  N   TYR A 160      55.555  95.835 107.256  1.00 18.48           N  
+ATOM   1298  CA  TYR A 160      55.049  95.342 105.979  1.00 18.92           C  
+ATOM   1299  C   TYR A 160      54.953  93.813 106.020  1.00 18.11           C  
+ATOM   1300  O   TYR A 160      53.997  93.214 105.527  1.00 19.28           O  
+ATOM   1301  CB  TYR A 160      55.907  95.819 104.793  1.00 15.63           C  
+ATOM   1302  CG  TYR A 160      55.498  95.111 103.529  1.00 19.90           C  
+ATOM   1303  CD1 TYR A 160      54.349  95.487 102.850  1.00 19.39           C  
+ATOM   1304  CD2 TYR A 160      56.237  94.048 103.037  1.00 21.04           C  
+ATOM   1305  CE1 TYR A 160      53.946  94.828 101.716  1.00 22.64           C  
+ATOM   1306  CE2 TYR A 160      55.845  93.379 101.900  1.00 24.63           C  
+ATOM   1307  CZ  TYR A 160      54.697  93.767 101.242  1.00 28.35           C  
+ATOM   1308  OH  TYR A 160      54.298  93.099 100.105  1.00 24.08           O  
+ATOM   1309  N   LYS A 161      55.939  93.164 106.617  1.00 17.88           N  
+ATOM   1310  CA  LYS A 161      55.907  91.711 106.681  1.00 20.27           C  
+ATOM   1311  C   LYS A 161      54.722  91.208 107.481  1.00 18.32           C  
+ATOM   1312  O   LYS A 161      54.143  90.171 107.158  1.00 19.44           O  
+ATOM   1313  CB  LYS A 161      57.195  91.172 107.293  1.00 20.97           C  
+ATOM   1314  CG  LYS A 161      58.391  91.348 106.401  1.00 25.41           C  
+ATOM   1315  CD  LYS A 161      59.622  91.087 107.250  1.00 37.05           C  
+ATOM   1316  CE  LYS A 161      60.895  91.253 106.473  1.00 43.23           C  
+ATOM   1317  NZ  LYS A 161      62.050  91.084 107.401  1.00 50.73           N  
+ATOM   1318  N   ALA A 162      54.369  91.937 108.535  1.00 16.81           N  
+ATOM   1319  CA  ALA A 162      53.186  91.585 109.316  1.00 18.94           C  
+ATOM   1320  C   ALA A 162      51.926  91.716 108.457  1.00 18.99           C  
+ATOM   1321  O   ALA A 162      51.047  90.865 108.488  1.00 18.49           O  
+ATOM   1322  CB  ALA A 162      53.077  92.487 110.552  1.00 19.02           C  
+ATOM   1323  N   PHE A 163      51.860  92.802 107.697  1.00 15.88           N  
+ATOM   1324  CA  PHE A 163      50.751  93.073 106.785  1.00 13.87           C  
+ATOM   1325  C   PHE A 163      50.616  91.943 105.747  1.00 19.03           C  
+ATOM   1326  O   PHE A 163      49.519  91.473 105.462  1.00 18.34           O  
+ATOM   1327  CB  PHE A 163      51.010  94.419 106.098  1.00 16.60           C  
+ATOM   1328  CG  PHE A 163      49.876  94.913 105.229  1.00 16.39           C  
+ATOM   1329  CD1 PHE A 163      48.724  95.444 105.795  1.00 15.32           C  
+ATOM   1330  CD2 PHE A 163      49.985  94.892 103.850  1.00 17.81           C  
+ATOM   1331  CE1 PHE A 163      47.694  95.945 104.992  1.00 16.08           C  
+ATOM   1332  CE2 PHE A 163      48.958  95.395 103.035  1.00 15.76           C  
+ATOM   1333  CZ  PHE A 163      47.811  95.921 103.614  1.00 16.47           C  
+ATOM   1334  N   LYS A 164      51.737  91.511 105.182  1.00 17.80           N  
+ATOM   1335  CA  LYS A 164      51.718  90.424 104.197  1.00 17.53           C  
+ATOM   1336  C   LYS A 164      51.248  89.098 104.790  1.00 17.36           C  
+ATOM   1337  O   LYS A 164      50.452  88.380 104.168  1.00 23.47           O  
+ATOM   1338  CB  LYS A 164      53.098  90.272 103.546  1.00 17.38           C  
+ATOM   1339  CG  LYS A 164      53.172  89.219 102.468  1.00 27.59           C  
+ATOM   1340  CD  LYS A 164      54.534  89.283 101.779  1.00 31.90           C  
+ATOM   1341  CE  LYS A 164      54.766  88.086 100.875  1.00 49.93           C  
+ATOM   1342  NZ  LYS A 164      56.095  88.195 100.193  1.00 60.53           N  
+ATOM   1343  N   GLU A 165      51.722  88.769 105.989  1.00 16.38           N  
+ATOM   1344  CA  GLU A 165      51.217  87.605 106.712  1.00 18.84           C  
+ATOM   1345  C   GLU A 165      49.709  87.675 106.920  1.00 22.08           C  
+ATOM   1346  O   GLU A 165      49.007  86.671 106.771  1.00 21.73           O  
+ATOM   1347  CB  GLU A 165      51.896  87.455 108.072  1.00 24.90           C  
+ATOM   1348  CG  GLU A 165      53.397  87.197 107.994  1.00 26.99           C  
+ATOM   1349  CD  GLU A 165      53.738  85.863 107.356  0.73 33.92           C  
+ATOM   1350  OE1 GLU A 165      54.781  85.784 106.675  0.66 41.74           O  
+ATOM   1351  OE2 GLU A 165      52.973  84.892 107.546  0.71 31.51           O  
+ATOM   1352  N   ALA A 166      49.207  88.848 107.294  1.00 18.95           N  
+ATOM   1353  CA  ALA A 166      47.765  89.010 107.480  1.00 18.84           C  
+ATOM   1354  C   ALA A 166      47.032  88.826 106.150  1.00 20.11           C  
+ATOM   1355  O   ALA A 166      45.987  88.174 106.087  1.00 22.83           O  
+ATOM   1356  CB  ALA A 166      47.434  90.380 108.111  1.00 18.02           C  
+ATOM   1357  N   ALA A 167      47.588  89.404 105.092  1.00 19.69           N  
+ATOM   1358  CA  ALA A 167      47.027  89.284 103.754  1.00 20.67           C  
+ATOM   1359  C   ALA A 167      46.857  87.817 103.327  1.00 22.05           C  
+ATOM   1360  O   ALA A 167      45.845  87.439 102.741  1.00 20.25           O  
+ATOM   1361  CB  ALA A 167      47.910  90.022 102.761  1.00 18.89           C  
+ATOM   1362  N   GLU A 168      47.858  87.002 103.625  1.00 21.77           N  
+ATOM   1363  CA  GLU A 168      47.823  85.579 103.285  1.00 25.19           C  
+ATOM   1364  C   GLU A 168      46.677  84.844 103.973  1.00 23.72           C  
+ATOM   1365  O   GLU A 168      46.127  83.898 103.428  1.00 20.76           O  
+ATOM   1366  CB  GLU A 168      49.187  84.917 103.561  1.00 25.06           C  
+ATOM   1367  CG  GLU A 168      50.241  85.320 102.522  1.00 23.43           C  
+ATOM   1368  CD  GLU A 168      51.687  84.997 102.924  1.00 39.67           C  
+ATOM   1369  OE1 GLU A 168      51.924  84.648 104.095  1.00 34.75           O  
+ATOM   1370  OE2 GLU A 168      52.595  85.115 102.065  1.00 37.72           O  
+ATOM   1371  N   GLU A 169      46.302  85.298 105.158  1.00 19.93           N  
+ATOM   1372  CA  GLU A 169      45.231  84.674 105.912  1.00 25.00           C  
+ATOM   1373  C   GLU A 169      43.876  84.806 105.195  1.00 28.83           C  
+ATOM   1374  O   GLU A 169      43.016  83.956 105.357  1.00 29.45           O  
+ATOM   1375  CB  GLU A 169      45.172  85.298 107.309  1.00 29.50           C  
+ATOM   1376  CG  GLU A 169      44.251  84.596 108.281  0.40 31.87           C  
+ATOM   1377  CD  GLU A 169      44.674  83.165 108.567  0.40 36.03           C  
+ATOM   1378  OE1 GLU A 169      45.808  82.941 109.058  1.00 41.32           O  
+ATOM   1379  OE2 GLU A 169      43.862  82.263 108.291  0.62 38.54           O  
+ATOM   1380  N   PHE A 170      43.689  85.869 104.412  1.00 19.68           N  
+ATOM   1381  CA  PHE A 170      42.392  86.135 103.776  1.00 20.24           C  
+ATOM   1382  C   PHE A 170      42.431  86.011 102.251  1.00 19.17           C  
+ATOM   1383  O   PHE A 170      41.453  86.326 101.569  1.00 21.67           O  
+ATOM   1384  CB  PHE A 170      41.893  87.538 104.129  1.00 21.62           C  
+ATOM   1385  CG  PHE A 170      41.736  87.775 105.597  1.00 20.64           C  
+ATOM   1386  CD1 PHE A 170      40.610  87.322 106.270  1.00 24.11           C  
+ATOM   1387  CD2 PHE A 170      42.716  88.447 106.309  1.00 24.52           C  
+ATOM   1388  CE1 PHE A 170      40.466  87.534 107.625  1.00 27.12           C  
+ATOM   1389  CE2 PHE A 170      42.569  88.671 107.669  1.00 18.39           C  
+ATOM   1390  CZ  PHE A 170      41.454  88.209 108.322  1.00 17.87           C  
+ATOM   1391  N   HIS A 171      43.575  85.587 101.724  1.00 22.86           N  
+ATOM   1392  CA  HIS A 171      43.810  85.540 100.278  1.00 27.50           C  
+ATOM   1393  C   HIS A 171      43.000  84.392  99.696  1.00 23.66           C  
+ATOM   1394  O   HIS A 171      42.916  83.339 100.314  1.00 26.14           O  
+ATOM   1395  CB  HIS A 171      45.304  85.298 100.035  1.00 23.73           C  
+ATOM   1396  CG  HIS A 171      45.697  85.203  98.589  1.00 19.74           C  
+ATOM   1397  ND1 HIS A 171      45.725  86.295  97.750  1.00 20.79           N  
+ATOM   1398  CD2 HIS A 171      46.143  84.154  97.852  1.00 20.95           C  
+ATOM   1399  CE1 HIS A 171      46.143  85.919  96.552  1.00 22.20           C  
+ATOM   1400  NE2 HIS A 171      46.414  84.628  96.591  1.00 20.01           N  
+ATOM   1401  N   PRO A 172      42.370  84.593  98.524  1.00 24.43           N  
+ATOM   1402  CA  PRO A 172      42.311  85.809  97.716  1.00 20.40           C  
+ATOM   1403  C   PRO A 172      40.997  86.592  97.894  1.00 20.79           C  
+ATOM   1404  O   PRO A 172      40.687  87.439  97.058  1.00 20.68           O  
+ATOM   1405  CB  PRO A 172      42.374  85.246  96.295  1.00 26.15           C  
+ATOM   1406  CG  PRO A 172      41.556  83.946  96.417  1.00 19.98           C  
+ATOM   1407  CD  PRO A 172      41.749  83.444  97.825  1.00 22.32           C  
+ATOM   1408  N   TYR A 173      40.235  86.315  98.949  1.00 20.45           N  
+ATOM   1409  CA  TYR A 173      38.914  86.943  99.122  1.00 21.50           C  
+ATOM   1410  C   TYR A 173      38.922  88.432  99.446  1.00 23.79           C  
+ATOM   1411  O   TYR A 173      38.016  89.159  99.035  1.00 23.44           O  
+ATOM   1412  CB  TYR A 173      38.142  86.258 100.230  1.00 24.15           C  
+ATOM   1413  CG  TYR A 173      37.857  84.814  99.970  1.00 21.89           C  
+ATOM   1414  CD1 TYR A 173      36.869  84.428  99.073  1.00 27.28           C  
+ATOM   1415  CD2 TYR A 173      38.571  83.831 100.640  1.00 29.51           C  
+ATOM   1416  CE1 TYR A 173      36.597  83.084  98.856  1.00 29.76           C  
+ATOM   1417  CE2 TYR A 173      38.322  82.507 100.423  1.00 26.98           C  
+ATOM   1418  CZ  TYR A 173      37.339  82.135  99.539  1.00 21.76           C  
+ATOM   1419  OH  TYR A 173      37.110  80.795  99.359  1.00 25.87           O  
+ATOM   1420  N   ILE A 174      39.906  88.881 100.219  1.00 18.41           N  
+ATOM   1421  CA  ILE A 174      39.955  90.301 100.594  1.00 18.87           C  
+ATOM   1422  C   ILE A 174      41.296  90.847 100.149  1.00 20.16           C  
+ATOM   1423  O   ILE A 174      42.319  90.419 100.648  1.00 22.96           O  
+ATOM   1424  CB  ILE A 174      39.825  90.492 102.109  1.00 21.05           C  
+ATOM   1425  CG1 ILE A 174      38.477  89.972 102.600  1.00 21.53           C  
+ATOM   1426  CG2 ILE A 174      40.025  91.983 102.492  1.00 18.16           C  
+ATOM   1427  CD1 ILE A 174      38.306  90.078 104.096  1.00 26.33           C  
+ATOM   1428  N   PRO A 175      41.286  91.772  99.188  1.00 19.66           N  
+ATOM   1429  CA  PRO A 175      42.531  92.302  98.628  1.00 23.30           C  
+ATOM   1430  C   PRO A 175      43.235  93.242  99.589  1.00 21.08           C  
+ATOM   1431  O   PRO A 175      42.577  94.127 100.152  1.00 17.00           O  
+ATOM   1432  CB  PRO A 175      42.062  93.073  97.394  1.00 22.71           C  
+ATOM   1433  CG  PRO A 175      40.647  93.433  97.675  1.00 23.30           C  
+ATOM   1434  CD  PRO A 175      40.090  92.305  98.509  1.00 20.85           C  
+ATOM   1435  N   PHE A 176      44.542  93.022  99.766  1.00 14.62           N  
+ATOM   1436  CA  PHE A 176      45.415  93.838 100.612  1.00 16.21           C  
+ATOM   1437  C   PHE A 176      46.353  94.557  99.647  1.00 17.95           C  
+ATOM   1438  O   PHE A 176      46.963  93.931  98.777  1.00 18.45           O  
+ATOM   1439  CB  PHE A 176      46.269  92.957 101.529  1.00 16.56           C  
+ATOM   1440  CG  PHE A 176      45.579  92.504 102.796  1.00 19.45           C  
+ATOM   1441  CD1 PHE A 176      44.360  91.845 102.756  1.00 16.57           C  
+ATOM   1442  CD2 PHE A 176      46.187  92.715 104.032  1.00 19.31           C  
+ATOM   1443  CE1 PHE A 176      43.751  91.421 103.928  1.00 18.10           C  
+ATOM   1444  CE2 PHE A 176      45.587  92.285 105.206  1.00 20.60           C  
+ATOM   1445  CZ  PHE A 176      44.354  91.640 105.150  1.00 18.70           C  
+ATOM   1446  N   PHE A 177      46.428  95.873  99.782  1.00 14.22           N  
+ATOM   1447  CA  PHE A 177      47.266  96.694  98.942  1.00 14.98           C  
+ATOM   1448  C   PHE A 177      48.300  97.363  99.828  1.00 20.69           C  
+ATOM   1449  O   PHE A 177      48.026  97.660 100.997  1.00 16.84           O  
+ATOM   1450  CB  PHE A 177      46.417  97.773  98.282  1.00 15.30           C  
+ATOM   1451  CG  PHE A 177      45.399  97.239  97.304  1.00 16.17           C  
+ATOM   1452  CD1 PHE A 177      44.149  96.801  97.743  1.00 21.58           C  
+ATOM   1453  CD2 PHE A 177      45.691  97.180  95.949  1.00 25.26           C  
+ATOM   1454  CE1 PHE A 177      43.210  96.321  96.844  1.00 20.43           C  
+ATOM   1455  CE2 PHE A 177      44.757  96.698  95.033  1.00 27.07           C  
+ATOM   1456  CZ  PHE A 177      43.513  96.268  95.479  1.00 23.21           C  
+ATOM   1457  N   ALA A 178      49.480  97.623  99.270  1.00 16.47           N  
+ATOM   1458  CA  ALA A 178      50.483  98.397  99.989  1.00 19.73           C  
+ATOM   1459  C   ALA A 178      51.101  99.428  99.070  1.00 21.69           C  
+ATOM   1460  O   ALA A 178      51.097  99.269  97.848  1.00 23.48           O  
+ATOM   1461  CB  ALA A 178      51.559  97.470 100.552  1.00 16.20           C  
+ATOM   1462  N   THR A 179      51.621 100.496  99.662  1.00 23.76           N  
+ATOM   1463  CA  THR A 179      52.507 101.399  98.950  1.00 21.28           C  
+ATOM   1464  C   THR A 179      53.751 101.690  99.784  1.00 22.26           C  
+ATOM   1465  O   THR A 179      53.700 101.698 101.009  1.00 19.24           O  
+ATOM   1466  CB  THR A 179      51.810 102.728  98.583  1.00 23.59           C  
+ATOM   1467  OG1 THR A 179      52.671 103.498  97.735  1.00 26.42           O  
+ATOM   1468  CG2 THR A 179      51.457 103.531  99.838  1.00 20.42           C  
+ATOM   1469  N   PHE A 180      54.874 101.892  99.100  1.00 20.25           N  
+ATOM   1470  CA  PHE A 180      56.126 102.315  99.737  1.00 25.94           C  
+ATOM   1471  C   PHE A 180      56.454 103.758  99.328  1.00 27.98           C  
+ATOM   1472  O   PHE A 180      57.496 104.301  99.680  1.00 26.89           O  
+ATOM   1473  CB  PHE A 180      57.273 101.376  99.328  1.00 19.79           C  
+ATOM   1474  CG  PHE A 180      57.018  99.932  99.631  1.00 25.80           C  
+ATOM   1475  CD1 PHE A 180      56.407  99.550 100.826  1.00 21.90           C  
+ATOM   1476  CD2 PHE A 180      57.369  98.950  98.716  1.00 23.65           C  
+ATOM   1477  CE1 PHE A 180      56.160  98.231 101.097  1.00 20.45           C  
+ATOM   1478  CE2 PHE A 180      57.122  97.620  98.981  1.00 21.19           C  
+ATOM   1479  CZ  PHE A 180      56.525  97.248 100.175  1.00 22.97           C  
+ATOM   1480  N   ASP A 181      55.539 104.368  98.585  1.00 31.80           N  
+ATOM   1481  CA  ASP A 181      55.746 105.685  97.998  1.00 32.68           C  
+ATOM   1482  C   ASP A 181      55.016 106.777  98.766  1.00 27.44           C  
+ATOM   1483  O   ASP A 181      53.799 106.783  98.832  1.00 31.76           O  
+ATOM   1484  CB  ASP A 181      55.265 105.681  96.546  1.00 36.58           C  
+ATOM   1485  CG  ASP A 181      55.575 106.980  95.833  1.00 49.40           C  
+ATOM   1486  OD1 ASP A 181      54.897 107.283  94.832  1.00 49.38           O  
+ATOM   1487  OD2 ASP A 181      56.493 107.698  96.284  1.00 47.10           O  
+ATOM   1488  N   SER A 182      55.772 107.714  99.324  1.00 30.98           N  
+ATOM   1489  CA  SER A 182      55.225 108.770 100.166  1.00 33.31           C  
+ATOM   1490  C   SER A 182      54.221 109.643  99.436  1.00 31.98           C  
+ATOM   1491  O   SER A 182      53.310 110.197 100.052  1.00 28.54           O  
+ATOM   1492  CB  SER A 182      56.352 109.646 100.704  1.00 37.22           C  
+ATOM   1493  OG  SER A 182      57.050 110.235  99.625  1.00 33.29           O  
+ATOM   1494  N   LYS A 183      54.383 109.772  98.126  1.00 34.19           N  
+ATOM   1495  CA  LYS A 183      53.452 110.582  97.351  1.00 42.81           C  
+ATOM   1496  C   LYS A 183      52.093 109.890  97.249  1.00 34.63           C  
+ATOM   1497  O   LYS A 183      51.050 110.533  97.334  1.00 32.74           O  
+ATOM   1498  CB  LYS A 183      54.023 110.893  95.967  1.00 44.18           C  
+ATOM   1499  CG  LYS A 183      55.428 111.487  96.020  1.00 54.89           C  
+ATOM   1500  CD  LYS A 183      55.853 112.043  94.670  1.00 71.76           C  
+ATOM   1501  CE  LYS A 183      55.054 113.288  94.305  1.00 79.52           C  
+ATOM   1502  NZ  LYS A 183      55.390 114.449  95.181  1.00 84.20           N  
+ATOM   1503  N   VAL A 184      52.113 108.577  97.066  1.00 35.48           N  
+ATOM   1504  CA  VAL A 184      50.879 107.803  97.031  1.00 30.18           C  
+ATOM   1505  C   VAL A 184      50.227 107.850  98.400  1.00 23.73           C  
+ATOM   1506  O   VAL A 184      49.021 108.064  98.520  1.00 33.91           O  
+ATOM   1507  CB  VAL A 184      51.139 106.329  96.658  1.00 33.75           C  
+ATOM   1508  CG1 VAL A 184      49.837 105.524  96.697  1.00 32.21           C  
+ATOM   1509  CG2 VAL A 184      51.807 106.230  95.279  1.00 33.42           C  
+ATOM   1510  N   ALA A 185      51.038 107.654  99.434  1.00 26.41           N  
+ATOM   1511  CA  ALA A 185      50.539 107.655 100.801  1.00 28.42           C  
+ATOM   1512  C   ALA A 185      49.868 108.978 101.095  1.00 33.16           C  
+ATOM   1513  O   ALA A 185      48.842 109.033 101.771  1.00 26.66           O  
+ATOM   1514  CB  ALA A 185      51.670 107.392 101.787  1.00 25.01           C  
+ATOM   1515  N   LYS A 186      50.447 110.052 100.573  1.00 30.48           N  
+ATOM   1516  CA  LYS A 186      49.857 111.365 100.754  1.00 34.64           C  
+ATOM   1517  C   LYS A 186      48.457 111.461 100.136  1.00 24.86           C  
+ATOM   1518  O   LYS A 186      47.535 111.979 100.767  1.00 31.99           O  
+ATOM   1519  CB  LYS A 186      50.779 112.449 100.187  1.00 36.09           C  
+ATOM   1520  CG  LYS A 186      50.234 113.854 100.364  1.00 45.15           C  
+ATOM   1521  CD  LYS A 186      50.050 114.206 101.832  1.00 50.50           C  
+ATOM   1522  CE  LYS A 186      51.386 114.316 102.553  1.00 72.46           C  
+ATOM   1523  NZ  LYS A 186      51.233 114.879 103.928  1.00 67.32           N  
+ATOM   1524  N   LYS A 187      48.297 110.967  98.912  1.00 26.46           N  
+ATOM   1525  CA  LYS A 187      46.996 111.020  98.236  1.00 31.23           C  
+ATOM   1526  C   LYS A 187      45.963 110.176  98.973  1.00 34.82           C  
+ATOM   1527  O   LYS A 187      44.781 110.509  99.013  1.00 33.91           O  
+ATOM   1528  CB  LYS A 187      47.118 110.544  96.792  1.00 34.77           C  
+ATOM   1529  CG  LYS A 187      48.140 111.335  95.968  1.00 47.45           C  
+ATOM   1530  CD  LYS A 187      48.223 110.818  94.537  1.00 54.28           C  
+ATOM   1531  CE  LYS A 187      49.169 111.656  93.684  1.00 61.60           C  
+ATOM   1532  NZ  LYS A 187      49.136 111.226  92.254  1.00 69.21           N  
+ATOM   1533  N   LEU A 188      46.432 109.080  99.555  1.00 28.94           N  
+ATOM   1534  CA  LEU A 188      45.595 108.186 100.345  1.00 28.10           C  
+ATOM   1535  C   LEU A 188      45.397 108.656 101.780  1.00 29.84           C  
+ATOM   1536  O   LEU A 188      44.598 108.078 102.521  1.00 27.41           O  
+ATOM   1537  CB  LEU A 188      46.229 106.804 100.355  1.00 26.30           C  
+ATOM   1538  CG  LEU A 188      46.256 106.110  98.995  1.00 31.52           C  
+ATOM   1539  CD1 LEU A 188      47.034 104.807  99.078  1.00 31.64           C  
+ATOM   1540  CD2 LEU A 188      44.843 105.852  98.538  1.00 37.72           C  
+ATOM   1541  N   THR A 189      46.131 109.698 102.172  1.00 28.39           N  
+ATOM   1542  CA  THR A 189      46.152 110.199 103.555  1.00 23.17           C  
+ATOM   1543  C   THR A 189      46.640 109.189 104.613  1.00 26.80           C  
+ATOM   1544  O   THR A 189      46.119 109.140 105.726  1.00 26.98           O  
+ATOM   1545  CB  THR A 189      44.800 110.811 104.007  1.00 35.71           C  
+ATOM   1546  OG1 THR A 189      43.872 109.770 104.343  1.00 30.50           O  
+ATOM   1547  CG2 THR A 189      44.219 111.700 102.918  1.00 39.91           C  
+ATOM   1548  N   LEU A 190      47.643 108.394 104.263  1.00 20.32           N  
+ATOM   1549  CA  LEU A 190      48.194 107.410 105.179  1.00 23.55           C  
+ATOM   1550  C   LEU A 190      49.497 107.896 105.803  1.00 22.44           C  
+ATOM   1551  O   LEU A 190      50.399 108.330 105.087  1.00 22.49           O  
+ATOM   1552  CB  LEU A 190      48.500 106.119 104.414  1.00 20.61           C  
+ATOM   1553  CG  LEU A 190      47.321 105.273 103.938  1.00 23.00           C  
+ATOM   1554  CD1 LEU A 190      47.822 104.164 103.020  1.00 22.04           C  
+ATOM   1555  CD2 LEU A 190      46.591 104.696 105.139  1.00 21.49           C  
+ATOM   1556  N   LYS A 191      49.600 107.798 107.121  1.00 21.78           N  
+ATOM   1557  CA  LYS A 191      50.891 107.952 107.798  1.00 26.85           C  
+ATOM   1558  C   LYS A 191      51.676 106.659 107.687  1.00 24.61           C  
+ATOM   1559  O   LYS A 191      51.110 105.626 107.359  1.00 18.58           O  
+ATOM   1560  CB  LYS A 191      50.683 108.267 109.268  1.00 23.61           C  
+ATOM   1561  CG  LYS A 191      50.093 109.629 109.510  1.00 29.05           C  
+ATOM   1562  CD  LYS A 191      49.644 109.762 110.944  1.00 33.21           C  
+ATOM   1563  CE  LYS A 191      49.134 111.172 111.219  1.00 31.90           C  
+ATOM   1564  NZ  LYS A 191      48.380 111.200 112.501  1.00 46.27           N  
+ATOM   1565  N   LEU A 192      52.976 106.698 107.976  1.00 19.93           N  
+ATOM   1566  CA  LEU A 192      53.758 105.479 107.899  1.00 21.81           C  
+ATOM   1567  C   LEU A 192      53.238 104.422 108.879  1.00 23.24           C  
+ATOM   1568  O   LEU A 192      53.006 104.701 110.051  1.00 17.73           O  
+ATOM   1569  CB  LEU A 192      55.236 105.764 108.172  1.00 24.57           C  
+ATOM   1570  CG  LEU A 192      56.177 104.607 107.845  1.00 21.15           C  
+ATOM   1571  CD1 LEU A 192      56.296 104.508 106.339  1.00 17.85           C  
+ATOM   1572  CD2 LEU A 192      57.533 104.866 108.496  1.00 27.77           C  
+ATOM   1573  N   ASN A 193      53.089 103.204 108.369  1.00 15.49           N  
+ATOM   1574  CA  ASN A 193      52.631 102.040 109.121  1.00 15.99           C  
+ATOM   1575  C   ASN A 193      51.123 102.058 109.383  1.00 18.64           C  
+ATOM   1576  O   ASN A 193      50.582 101.145 110.001  1.00 18.11           O  
+ATOM   1577  CB  ASN A 193      53.414 101.867 110.413  1.00 17.51           C  
+ATOM   1578  CG  ASN A 193      54.873 101.680 110.156  1.00 21.76           C  
+ATOM   1579  OD1 ASN A 193      55.255 100.989 109.213  1.00 20.69           O  
+ATOM   1580  ND2 ASN A 193      55.708 102.298 110.980  1.00 19.31           N  
+ATOM   1581  N   GLU A 194      50.457 103.081 108.870  1.00 14.97           N  
+ATOM   1582  CA  GLU A 194      49.017 103.183 109.036  1.00 17.04           C  
+ATOM   1583  C   GLU A 194      48.348 102.268 108.007  1.00 18.00           C  
+ATOM   1584  O   GLU A 194      48.802 102.180 106.864  1.00 16.27           O  
+ATOM   1585  CB  GLU A 194      48.588 104.629 108.855  1.00 21.32           C  
+ATOM   1586  CG  GLU A 194      47.442 105.047 109.713  1.00 31.90           C  
+ATOM   1587  CD  GLU A 194      47.283 106.562 109.763  1.00 25.85           C  
+ATOM   1588  OE1 GLU A 194      47.309 107.201 108.697  1.00 25.12           O  
+ATOM   1589  OE2 GLU A 194      47.141 107.098 110.877  1.00 29.86           O  
+ATOM   1590  N   ILE A 195      47.288 101.584 108.430  1.00 15.67           N  
+ATOM   1591  CA  ILE A 195      46.494 100.714 107.541  1.00 16.29           C  
+ATOM   1592  C   ILE A 195      45.047 101.184 107.547  1.00 17.49           C  
+ATOM   1593  O   ILE A 195      44.424 101.235 108.614  1.00 17.93           O  
+ATOM   1594  CB  ILE A 195      46.502  99.245 108.003  1.00 17.90           C  
+ATOM   1595  CG1 ILE A 195      47.917  98.676 107.977  1.00 13.83           C  
+ATOM   1596  CG2 ILE A 195      45.596  98.378 107.083  1.00 14.42           C  
+ATOM   1597  CD1 ILE A 195      48.078  97.387 108.824  1.00 14.88           C  
+ATOM   1598  N   ASP A 196      44.529 101.546 106.373  1.00 16.43           N  
+ATOM   1599  CA  ASP A 196      43.123 101.944 106.242  1.00 17.98           C  
+ATOM   1600  C   ASP A 196      42.293 100.760 105.741  1.00 19.09           C  
+ATOM   1601  O   ASP A 196      42.673 100.103 104.781  1.00 16.75           O  
+ATOM   1602  CB  ASP A 196      42.991 103.112 105.272  1.00 21.23           C  
+ATOM   1603  CG  ASP A 196      43.153 104.468 105.958  1.00 22.40           C  
+ATOM   1604  OD1 ASP A 196      43.425 104.495 107.177  1.00 21.31           O  
+ATOM   1605  OD2 ASP A 196      43.010 105.494 105.265  1.00 20.98           O  
+ATOM   1606  N   PHE A 197      41.172 100.509 106.413  1.00 15.41           N  
+ATOM   1607  CA  PHE A 197      40.227  99.443 106.073  1.00 17.31           C  
+ATOM   1608  C   PHE A 197      39.003 100.087 105.417  1.00 14.06           C  
+ATOM   1609  O   PHE A 197      38.360 100.963 106.017  1.00 18.83           O  
+ATOM   1610  CB  PHE A 197      39.800  98.715 107.357  1.00 14.38           C  
+ATOM   1611  CG  PHE A 197      38.778  97.611 107.137  1.00 16.76           C  
+ATOM   1612  CD1 PHE A 197      37.421  97.918 107.034  1.00 18.52           C  
+ATOM   1613  CD2 PHE A 197      39.171  96.275 107.089  1.00 17.48           C  
+ATOM   1614  CE1 PHE A 197      36.460  96.900 106.835  1.00 16.56           C  
+ATOM   1615  CE2 PHE A 197      38.222  95.253 106.898  1.00 17.96           C  
+ATOM   1616  CZ  PHE A 197      36.862  95.583 106.776  1.00 18.83           C  
+ATOM   1617  N   TYR A 198      38.684  99.678 104.196  1.00 15.10           N  
+ATOM   1618  CA  TYR A 198      37.519 100.224 103.503  1.00 14.30           C  
+ATOM   1619  C   TYR A 198      36.426  99.164 103.437  1.00 20.04           C  
+ATOM   1620  O   TYR A 198      36.571  98.167 102.731  1.00 15.76           O  
+ATOM   1621  CB  TYR A 198      37.855 100.638 102.069  1.00 19.35           C  
+ATOM   1622  CG  TYR A 198      38.692 101.893 101.926  1.00 17.67           C  
+ATOM   1623  CD1 TYR A 198      40.075 101.860 102.114  1.00 20.27           C  
+ATOM   1624  CD2 TYR A 198      38.109 103.102 101.560  1.00 19.25           C  
+ATOM   1625  CE1 TYR A 198      40.848 102.999 101.958  1.00 18.66           C  
+ATOM   1626  CE2 TYR A 198      38.874 104.253 101.408  1.00 24.52           C  
+ATOM   1627  CZ  TYR A 198      40.234 104.200 101.615  1.00 21.43           C  
+ATOM   1628  OH  TYR A 198      40.999 105.336 101.455  1.00 22.70           O  
+ATOM   1629  N   GLU A 199      35.334  99.388 104.160  1.00 14.71           N  
+ATOM   1630  CA  GLU A 199      34.187  98.495 104.087  1.00 16.99           C  
+ATOM   1631  C   GLU A 199      33.620  98.594 102.683  1.00 14.19           C  
+ATOM   1632  O   GLU A 199      33.626  99.677 102.076  1.00 17.86           O  
+ATOM   1633  CB  GLU A 199      33.134  98.899 105.143  1.00 20.44           C  
+ATOM   1634  CG  GLU A 199      31.837  98.065 105.121  1.00 16.09           C  
+ATOM   1635  CD  GLU A 199      30.811  98.542 106.159  1.00 27.22           C  
+ATOM   1636  OE1 GLU A 199      31.221  99.151 107.170  1.00 22.41           O  
+ATOM   1637  OE2 GLU A 199      29.595  98.309 105.960  1.00 25.85           O  
+ATOM   1638  N   ALA A 200      33.144  97.468 102.153  1.00 15.51           N  
+ATOM   1639  CA  ALA A 200      32.484  97.469 100.852  1.00 19.83           C  
+ATOM   1640  C   ALA A 200      31.442  98.584 100.747  1.00 22.39           C  
+ATOM   1641  O   ALA A 200      30.648  98.787 101.664  1.00 20.73           O  
+ATOM   1642  CB  ALA A 200      31.812  96.103 100.600  1.00 17.56           C  
+ATOM   1643  N   PHE A 201      31.464  99.297  99.627  1.00 16.76           N  
+ATOM   1644  CA  PHE A 201      30.483 100.330  99.300  1.00 20.52           C  
+ATOM   1645  C   PHE A 201      30.543 101.553 100.206  1.00 27.03           C  
+ATOM   1646  O   PHE A 201      29.698 102.429 100.100  1.00 25.28           O  
+ATOM   1647  CB  PHE A 201      29.057  99.746  99.260  1.00 21.09           C  
+ATOM   1648  CG  PHE A 201      28.909  98.589  98.287  1.00 18.18           C  
+ATOM   1649  CD1 PHE A 201      28.867  98.828  96.920  1.00 23.53           C  
+ATOM   1650  CD2 PHE A 201      28.844  97.280  98.745  1.00 18.09           C  
+ATOM   1651  CE1 PHE A 201      28.750  97.791  96.023  1.00 18.19           C  
+ATOM   1652  CE2 PHE A 201      28.725  96.228  97.848  1.00 17.13           C  
+ATOM   1653  CZ  PHE A 201      28.681  96.493  96.483  1.00 18.28           C  
+ATOM   1654  N   MET A 202      31.546 101.621 101.078  1.00 24.87           N  
+ATOM   1655  CA  MET A 202      31.711 102.784 101.954  1.00 25.72           C  
+ATOM   1656  C   MET A 202      32.784 103.723 101.400  1.00 23.21           C  
+ATOM   1657  O   MET A 202      33.842 103.278 100.958  1.00 23.55           O  
+ATOM   1658  CB  MET A 202      32.075 102.362 103.383  1.00 24.73           C  
+ATOM   1659  CG  MET A 202      30.992 101.581 104.119  1.00 27.18           C  
+ATOM   1660  SD  MET A 202      29.541 102.615 104.440  1.00 29.97           S  
+ATOM   1661  CE  MET A 202      28.285 101.361 104.652  1.00 33.36           C  
+ATOM   1662  N   GLU A 203      32.509 105.022 101.428  1.00 22.40           N  
+ATOM   1663  CA  GLU A 203      33.471 106.016 100.954  1.00 32.78           C  
+ATOM   1664  C   GLU A 203      34.630 106.226 101.927  1.00 27.77           C  
+ATOM   1665  O   GLU A 203      35.786 106.354 101.525  1.00 27.47           O  
+ATOM   1666  CB  GLU A 203      32.768 107.351 100.717  1.00 39.65           C  
+ATOM   1667  CG  GLU A 203      31.738 107.302  99.601  1.00 53.20           C  
+ATOM   1668  CD  GLU A 203      32.028 108.304  98.497  1.00 79.84           C  
+ATOM   1669  OE1 GLU A 203      32.962 109.122  98.663  1.00 83.69           O  
+ATOM   1670  OE2 GLU A 203      31.322 108.269  97.463  1.00 79.01           O  
+ATOM   1671  N   GLU A 204      34.316 106.285 103.211  1.00 22.46           N  
+ATOM   1672  CA  GLU A 204      35.334 106.616 104.196  1.00 25.83           C  
+ATOM   1673  C   GLU A 204      35.852 105.365 104.881  1.00 21.21           C  
+ATOM   1674  O   GLU A 204      35.063 104.530 105.336  1.00 21.63           O  
+ATOM   1675  CB  GLU A 204      34.773 107.583 105.238  1.00 29.36           C  
+ATOM   1676  CG  GLU A 204      34.436 108.967 104.669  1.00 43.48           C  
+ATOM   1677  CD  GLU A 204      35.631 109.639 103.987  1.00 60.63           C  
+ATOM   1678  OE1 GLU A 204      35.449 110.202 102.884  1.00 65.03           O  
+ATOM   1679  OE2 GLU A 204      36.752 109.605 104.548  1.00 58.00           O  
+ATOM   1680  N   PRO A 205      37.184 105.255 105.000  1.00 21.74           N  
+ATOM   1681  CA  PRO A 205      37.781 104.072 105.628  1.00 17.79           C  
+ATOM   1682  C   PRO A 205      37.779 104.193 107.131  1.00 22.58           C  
+ATOM   1683  O   PRO A 205      37.466 105.241 107.660  1.00 24.25           O  
+ATOM   1684  CB  PRO A 205      39.227 104.092 105.096  1.00 21.03           C  
+ATOM   1685  CG  PRO A 205      39.513 105.530 104.843  1.00 22.03           C  
+ATOM   1686  CD  PRO A 205      38.200 106.135 104.382  1.00 24.84           C  
+ATOM   1687  N   VAL A 206      38.107 103.108 107.809  1.00 17.64           N  
+ATOM   1688  CA  VAL A 206      38.347 103.130 109.230  1.00 20.32           C  
+ATOM   1689  C   VAL A 206      39.817 102.733 109.394  1.00 25.81           C  
+ATOM   1690  O   VAL A 206      40.272 101.742 108.812  1.00 21.79           O  
+ATOM   1691  CB  VAL A 206      37.436 102.121 109.966  1.00 23.22           C  
+ATOM   1692  CG1 VAL A 206      37.798 102.039 111.441  1.00 27.67           C  
+ATOM   1693  CG2 VAL A 206      35.975 102.490 109.789  1.00 29.68           C  
+ATOM   1694  N   THR A 207      40.578 103.509 110.155  1.00 24.07           N  
+ATOM   1695  CA  THR A 207      42.010 103.207 110.312  1.00 21.55           C  
+ATOM   1696  C   THR A 207      42.191 102.171 111.404  1.00 19.29           C  
+ATOM   1697  O   THR A 207      41.554 102.252 112.458  1.00 18.69           O  
+ATOM   1698  CB  THR A 207      42.824 104.492 110.624  1.00 25.96           C  
+ATOM   1699  OG1 THR A 207      42.636 105.432 109.567  1.00 24.15           O  
+ATOM   1700  CG2 THR A 207      44.332 104.190 110.741  1.00 20.02           C  
+ATOM   1701  N   ILE A 208      42.997 101.149 111.151  1.00 15.07           N  
+ATOM   1702  CA  ILE A 208      43.238 100.183 112.209  1.00 17.64           C  
+ATOM   1703  C   ILE A 208      43.954 100.879 113.366  1.00 21.83           C  
+ATOM   1704  O   ILE A 208      44.985 101.531 113.170  1.00 21.44           O  
+ATOM   1705  CB  ILE A 208      43.985  98.942 111.727  1.00 19.29           C  
+ATOM   1706  CG1 ILE A 208      43.260  98.342 110.516  1.00 16.01           C  
+ATOM   1707  CG2 ILE A 208      44.071  97.902 112.861  1.00 19.81           C  
+ATOM   1708  CD1 ILE A 208      43.845  96.977 110.043  1.00 17.72           C  
+ATOM   1709  N   PRO A 209      43.387 100.783 114.579  1.00 23.59           N  
+ATOM   1710  CA  PRO A 209      43.996 101.485 115.721  1.00 24.75           C  
+ATOM   1711  C   PRO A 209      45.318 100.894 116.172  1.00 19.07           C  
+ATOM   1712  O   PRO A 209      45.633  99.739 115.881  1.00 18.12           O  
+ATOM   1713  CB  PRO A 209      42.946 101.339 116.844  1.00 27.79           C  
+ATOM   1714  CG  PRO A 209      42.066 100.239 116.412  1.00 33.46           C  
+ATOM   1715  CD  PRO A 209      42.051 100.257 114.908  1.00 20.50           C  
+ATOM   1716  N   ASP A 210      46.092 101.718 116.872  1.00 21.58           N  
+ATOM   1717  CA  ASP A 210      47.279 101.274 117.593  1.00 22.85           C  
+ATOM   1718  C   ASP A 210      48.451 100.866 116.692  1.00 22.74           C  
+ATOM   1719  O   ASP A 210      49.201  99.954 117.023  1.00 22.79           O  
+ATOM   1720  CB  ASP A 210      46.942 100.150 118.578  1.00 22.84           C  
+ATOM   1721  CG  ASP A 210      45.899 100.573 119.618  1.00 36.59           C  
+ATOM   1722  OD1 ASP A 210      45.893 101.752 120.031  1.00 31.85           O  
+ATOM   1723  OD2 ASP A 210      45.074  99.727 120.019  1.00 37.60           O  
+ATOM   1724  N   LYS A 211      48.597 101.547 115.561  1.00 21.88           N  
+ATOM   1725  CA  LYS A 211      49.717 101.264 114.668  1.00 15.55           C  
+ATOM   1726  C   LYS A 211      51.000 101.499 115.454  1.00 28.41           C  
+ATOM   1727  O   LYS A 211      50.997 102.243 116.429  1.00 23.82           O  
+ATOM   1728  CB  LYS A 211      49.677 102.167 113.442  1.00 21.04           C  
+ATOM   1729  CG  LYS A 211      49.842 103.649 113.759  1.00 25.63           C  
+ATOM   1730  CD  LYS A 211      50.488 104.401 112.604  1.00 26.49           C  
+ATOM   1731  CE  LYS A 211      50.912 105.806 113.052  1.00 30.46           C  
+ATOM   1732  NZ  LYS A 211      49.793 106.512 113.768  1.00 37.30           N  
+ATOM   1733  N   PRO A 212      52.093 100.843 115.053  1.00 24.17           N  
+ATOM   1734  CA  PRO A 212      52.124  99.859 113.963  1.00 22.81           C  
+ATOM   1735  C   PRO A 212      51.421  98.581 114.391  1.00 22.56           C  
+ATOM   1736  O   PRO A 212      51.377  98.253 115.581  1.00 23.70           O  
+ATOM   1737  CB  PRO A 212      53.630  99.600 113.748  1.00 21.39           C  
+ATOM   1738  CG  PRO A 212      54.275 100.004 115.018  1.00 32.66           C  
+ATOM   1739  CD  PRO A 212      53.433 101.105 115.612  1.00 25.39           C  
+ATOM   1740  N   ASN A 213      50.881  97.852 113.422  1.00 19.81           N  
+ATOM   1741  CA  ASN A 213      50.013  96.727 113.743  1.00 19.04           C  
+ATOM   1742  C   ASN A 213      50.679  95.389 113.558  1.00 20.98           C  
+ATOM   1743  O   ASN A 213      51.300  95.112 112.520  1.00 21.37           O  
+ATOM   1744  CB  ASN A 213      48.761  96.767 112.878  1.00 17.59           C  
+ATOM   1745  CG  ASN A 213      47.947  98.028 113.088  1.00 20.03           C  
+ATOM   1746  OD1 ASN A 213      47.700  98.779 112.149  1.00 19.01           O  
+ATOM   1747  ND2 ASN A 213      47.537  98.268 114.322  1.00 19.16           N  
+ATOM   1748  N   SER A 214      50.514  94.532 114.557  1.00 17.95           N  
+ATOM   1749  CA  SER A 214      50.982  93.171 114.442  1.00 20.59           C  
+ATOM   1750  C   SER A 214      50.085  92.433 113.459  1.00 19.86           C  
+ATOM   1751  O   SER A 214      48.978  92.895 113.126  1.00 17.86           O  
+ATOM   1752  CB  SER A 214      50.920  92.485 115.806  1.00 20.90           C  
+ATOM   1753  OG  SER A 214      49.564  92.393 116.221  1.00 24.20           O  
+ATOM   1754  N   GLU A 215      50.577  91.302 112.979  1.00 16.76           N  
+ATOM   1755  CA  GLU A 215      49.772  90.415 112.152  1.00 22.47           C  
+ATOM   1756  C   GLU A 215      48.447  90.097 112.846  1.00 21.37           C  
+ATOM   1757  O   GLU A 215      47.399  90.146 112.226  1.00 16.99           O  
+ATOM   1758  CB  GLU A 215      50.566  89.138 111.859  1.00 22.44           C  
+ATOM   1759  CG  GLU A 215      49.760  87.978 111.362  1.00 27.15           C  
+ATOM   1760  CD  GLU A 215      50.586  86.708 111.312  1.00 38.15           C  
+ATOM   1761  OE1 GLU A 215      51.834  86.792 111.438  1.00 34.07           O  
+ATOM   1762  OE2 GLU A 215      49.986  85.629 111.149  1.00 36.07           O  
+ATOM   1763  N   GLU A 216      48.496  89.780 114.138  1.00 18.92           N  
+ATOM   1764  CA  GLU A 216      47.270  89.448 114.871  1.00 22.74           C  
+ATOM   1765  C   GLU A 216      46.285  90.626 114.984  1.00 19.03           C  
+ATOM   1766  O   GLU A 216      45.066  90.430 114.891  1.00 18.52           O  
+ATOM   1767  CB  GLU A 216      47.607  88.913 116.266  1.00 25.08           C  
+ATOM   1768  CG  GLU A 216      48.329  87.578 116.254  1.00 24.66           C  
+ATOM   1769  CD  GLU A 216      49.828  87.705 116.056  1.00 32.74           C  
+ATOM   1770  OE1 GLU A 216      50.337  88.844 115.919  1.00 26.62           O  
+ATOM   1771  OE2 GLU A 216      50.500  86.657 116.037  1.00 35.96           O  
+ATOM   1772  N   GLU A 217      46.801  91.838 115.194  1.00 17.78           N  
+ATOM   1773  CA  GLU A 217      45.938  93.013 115.273  1.00 18.81           C  
+ATOM   1774  C   GLU A 217      45.168  93.201 113.967  1.00 18.56           C  
+ATOM   1775  O   GLU A 217      43.987  93.539 113.971  1.00 15.86           O  
+ATOM   1776  CB  GLU A 217      46.748  94.276 115.585  1.00 17.75           C  
+ATOM   1777  CG  GLU A 217      46.995  94.507 117.059  1.00 23.90           C  
+ATOM   1778  CD  GLU A 217      48.030  95.590 117.321  1.00 30.53           C  
+ATOM   1779  OE1 GLU A 217      48.692  96.033 116.370  1.00 25.28           O  
+ATOM   1780  OE2 GLU A 217      48.199  95.998 118.483  1.00 40.23           O  
+ATOM   1781  N   ILE A 218      45.841  92.967 112.848  1.00 18.65           N  
+ATOM   1782  CA  ILE A 218      45.202  93.146 111.545  1.00 16.54           C  
+ATOM   1783  C   ILE A 218      44.141  92.086 111.333  1.00 16.66           C  
+ATOM   1784  O   ILE A 218      42.990  92.394 110.982  1.00 15.67           O  
+ATOM   1785  CB  ILE A 218      46.242  93.095 110.411  1.00 15.87           C  
+ATOM   1786  CG1 ILE A 218      47.315  94.164 110.655  1.00 14.98           C  
+ATOM   1787  CG2 ILE A 218      45.566  93.291 109.046  1.00 17.76           C  
+ATOM   1788  CD1 ILE A 218      48.541  94.032 109.733  1.00 15.20           C  
+ATOM   1789  N   VAL A 219      44.528  90.836 111.553  1.00 16.85           N  
+ATOM   1790  CA  VAL A 219      43.586  89.718 111.415  1.00 17.05           C  
+ATOM   1791  C   VAL A 219      42.377  89.890 112.330  1.00 17.41           C  
+ATOM   1792  O   VAL A 219      41.256  89.663 111.889  1.00 17.32           O  
+ATOM   1793  CB  VAL A 219      44.270  88.342 111.651  1.00 17.46           C  
+ATOM   1794  CG1 VAL A 219      43.236  87.214 111.757  1.00 21.29           C  
+ATOM   1795  CG2 VAL A 219      45.304  88.055 110.551  1.00 18.95           C  
+ATOM   1796  N   ASN A 220      42.586  90.263 113.597  1.00 20.12           N  
+ATOM   1797  CA  ASN A 220      41.456  90.496 114.518  1.00 17.85           C  
+ATOM   1798  C   ASN A 220      40.515  91.566 113.978  1.00 20.77           C  
+ATOM   1799  O   ASN A 220      39.297  91.427 114.016  1.00 18.66           O  
+ATOM   1800  CB  ASN A 220      41.946  90.979 115.888  1.00 20.77           C  
+ATOM   1801  CG  ASN A 220      42.570  89.873 116.717  1.00 39.50           C  
+ATOM   1802  OD1 ASN A 220      42.276  88.693 116.521  1.00 44.27           O  
+ATOM   1803  ND2 ASN A 220      43.437  90.252 117.664  1.00 37.85           N  
+ATOM   1804  N   PHE A 221      41.090  92.667 113.507  1.00 18.05           N  
+ATOM   1805  CA  PHE A 221      40.297  93.771 112.988  1.00 13.59           C  
+ATOM   1806  C   PHE A 221      39.482  93.343 111.773  1.00 16.90           C  
+ATOM   1807  O   PHE A 221      38.288  93.663 111.655  1.00 20.18           O  
+ATOM   1808  CB  PHE A 221      41.200  94.958 112.617  1.00 15.98           C  
+ATOM   1809  CG  PHE A 221      40.438  96.189 112.255  1.00 20.46           C  
+ATOM   1810  CD1 PHE A 221      40.191  97.169 113.205  1.00 21.55           C  
+ATOM   1811  CD2 PHE A 221      39.930  96.357 110.970  1.00 17.36           C  
+ATOM   1812  CE1 PHE A 221      39.477  98.300 112.879  1.00 22.25           C  
+ATOM   1813  CE2 PHE A 221      39.217  97.490 110.639  1.00 20.40           C  
+ATOM   1814  CZ  PHE A 221      38.990  98.465 111.601  1.00 22.02           C  
+ATOM   1815  N   VAL A 222      40.112  92.620 110.857  1.00 16.20           N  
+ATOM   1816  CA  VAL A 222      39.396  92.210 109.643  1.00 19.87           C  
+ATOM   1817  C   VAL A 222      38.257  91.254 110.010  1.00 19.92           C  
+ATOM   1818  O   VAL A 222      37.132  91.387 109.515  1.00 17.46           O  
+ATOM   1819  CB  VAL A 222      40.348  91.583 108.604  1.00 20.57           C  
+ATOM   1820  CG1 VAL A 222      39.574  90.986 107.419  1.00 17.94           C  
+ATOM   1821  CG2 VAL A 222      41.358  92.654 108.124  1.00 18.09           C  
+ATOM   1822  N   GLU A 223      38.535  90.317 110.908  1.00 19.34           N  
+ATOM   1823  CA  GLU A 223      37.487  89.386 111.341  1.00 21.95           C  
+ATOM   1824  C   GLU A 223      36.313  90.111 111.966  1.00 23.26           C  
+ATOM   1825  O   GLU A 223      35.159  89.828 111.633  1.00 22.19           O  
+ATOM   1826  CB  GLU A 223      38.030  88.308 112.281  1.00 23.06           C  
+ATOM   1827  CG  GLU A 223      38.838  87.248 111.553  1.00 32.46           C  
+ATOM   1828  CD  GLU A 223      37.977  86.417 110.594  1.00 30.39           C  
+ATOM   1829  OE1 GLU A 223      36.736  86.502 110.671  1.00 39.86           O  
+ATOM   1830  OE2 GLU A 223      38.547  85.679 109.769  1.00 47.93           O  
+ATOM   1831  N   GLU A 224      36.594  91.046 112.862  1.00 20.69           N  
+ATOM   1832  CA  GLU A 224      35.527  91.809 113.480  1.00 24.44           C  
+ATOM   1833  C   GLU A 224      34.738  92.613 112.454  1.00 31.22           C  
+ATOM   1834  O   GLU A 224      33.571  92.917 112.670  1.00 29.28           O  
+ATOM   1835  CB  GLU A 224      36.044  92.744 114.575  1.00 26.47           C  
+ATOM   1836  CG  GLU A 224      34.968  93.732 114.997  1.00 39.73           C  
+ATOM   1837  CD  GLU A 224      35.295  94.480 116.269  1.00 53.05           C  
+ATOM   1838  OE1 GLU A 224      36.336  94.175 116.881  1.00 51.54           O  
+ATOM   1839  OE2 GLU A 224      34.504  95.370 116.654  1.00 54.03           O  
+ATOM   1840  N   HIS A 225      35.364  92.948 111.332  1.00 21.83           N  
+ATOM   1841  CA  HIS A 225      34.697  93.772 110.321  1.00 23.22           C  
+ATOM   1842  C   HIS A 225      34.391  92.989 109.048  1.00 22.85           C  
+ATOM   1843  O   HIS A 225      34.258  93.557 107.968  1.00 23.46           O  
+ATOM   1844  CB  HIS A 225      35.554  94.994 109.989  1.00 21.14           C  
+ATOM   1845  CG  HIS A 225      35.690  95.955 111.127  1.00 21.27           C  
+ATOM   1846  ND1 HIS A 225      36.577  95.760 112.166  1.00 24.39           N  
+ATOM   1847  CD2 HIS A 225      35.044  97.115 111.396  1.00 31.63           C  
+ATOM   1848  CE1 HIS A 225      36.471  96.759 113.023  1.00 28.56           C  
+ATOM   1849  NE2 HIS A 225      35.552  97.597 112.576  1.00 32.97           N  
+ATOM   1850  N   ARG A 226      34.261  91.680 109.197  1.00 19.84           N  
+ATOM   1851  CA  ARG A 226      34.094  90.781 108.066  1.00 23.64           C  
+ATOM   1852  C   ARG A 226      32.786  91.034 107.303  1.00 21.33           C  
+ATOM   1853  O   ARG A 226      32.741  90.897 106.088  1.00 23.19           O  
+ATOM   1854  CB  ARG A 226      34.146  89.328 108.563  1.00 26.54           C  
+ATOM   1855  CG  ARG A 226      34.346  88.306 107.488  1.00 36.03           C  
+ATOM   1856  CD  ARG A 226      35.752  88.408 106.934  1.00 37.91           C  
+ATOM   1857  NE  ARG A 226      35.978  87.447 105.862  1.00 45.53           N  
+ATOM   1858  CZ  ARG A 226      36.460  86.221 106.051  1.00 54.64           C  
+ATOM   1859  NH1 ARG A 226      36.773  85.807 107.275  1.00 43.86           N  
+ATOM   1860  NH2 ARG A 226      36.638  85.412 105.013  1.00 58.74           N  
+ATOM   1861  N   ARG A 227      31.726  91.409 108.017  1.00 21.39           N  
+ATOM   1862  CA  ARG A 227      30.412  91.573 107.385  1.00 20.08           C  
+ATOM   1863  C   ARG A 227      30.091  93.025 107.061  1.00 21.58           C  
+ATOM   1864  O   ARG A 227      29.833  93.817 107.968  1.00 18.07           O  
+ATOM   1865  CB  ARG A 227      29.308  90.993 108.293  1.00 23.07           C  
+ATOM   1866  CG  ARG A 227      27.922  90.974 107.647  1.00 20.34           C  
+ATOM   1867  CD  ARG A 227      26.824  90.624 108.649  1.00 22.85           C  
+ATOM   1868  NE  ARG A 227      26.996  89.286 109.206  1.00 26.57           N  
+ATOM   1869  CZ  ARG A 227      27.141  89.026 110.505  1.00 46.00           C  
+ATOM   1870  NH1 ARG A 227      27.140  90.015 111.395  1.00 42.21           N  
+ATOM   1871  NH2 ARG A 227      27.283  87.775 110.921  1.00 41.86           N  
+ATOM   1872  N   SER A 228      30.084  93.374 105.776  1.00 18.34           N  
+ATOM   1873  CA  SER A 228      29.736  94.734 105.367  1.00 18.58           C  
+ATOM   1874  C   SER A 228      28.222  94.929 105.462  1.00 23.25           C  
+ATOM   1875  O   SER A 228      27.438  93.982 105.307  1.00 18.49           O  
+ATOM   1876  CB  SER A 228      30.193  95.019 103.931  1.00 15.94           C  
+ATOM   1877  OG  SER A 228      31.605  94.878 103.803  1.00 21.84           O  
+ATOM   1878  N   THR A 229      27.824  96.167 105.714  1.00 19.72           N  
+ATOM   1879  CA  THR A 229      26.415  96.524 105.814  1.00 18.48           C  
+ATOM   1880  C   THR A 229      25.697  96.217 104.504  1.00 16.67           C  
+ATOM   1881  O   THR A 229      24.581  95.728 104.513  1.00 19.82           O  
+ATOM   1882  CB  THR A 229      26.264  98.010 106.173  1.00 20.81           C  
+ATOM   1883  OG1 THR A 229      26.919  98.243 107.423  1.00 20.11           O  
+ATOM   1884  CG2 THR A 229      24.781  98.399 106.295  1.00 18.01           C  
+ATOM   1885  N   LEU A 230      26.354  96.498 103.378  1.00 17.26           N  
+ATOM   1886  CA  LEU A 230      25.870  96.056 102.076  1.00 14.90           C  
+ATOM   1887  C   LEU A 230      26.938  95.131 101.504  1.00 16.43           C  
+ATOM   1888  O   LEU A 230      28.099  95.526 101.395  1.00 15.75           O  
+ATOM   1889  CB  LEU A 230      25.696  97.259 101.147  1.00 13.66           C  
+ATOM   1890  CG  LEU A 230      25.222  97.007  99.711  1.00 18.39           C  
+ATOM   1891  CD1 LEU A 230      23.902  96.229  99.727  1.00 20.73           C  
+ATOM   1892  CD2 LEU A 230      25.060  98.294  98.921  1.00 19.43           C  
+ATOM   1893  N   ARG A 231      26.571  93.900 101.176  1.00 16.72           N  
+ATOM   1894  CA  ARG A 231      27.557  92.994 100.583  1.00 19.12           C  
+ATOM   1895  C   ARG A 231      27.003  92.350  99.324  1.00 19.90           C  
+ATOM   1896  O   ARG A 231      25.810  92.081  99.236  1.00 16.84           O  
+ATOM   1897  CB  ARG A 231      28.003  91.935 101.592  1.00 18.00           C  
+ATOM   1898  CG  ARG A 231      26.867  91.212 102.259  1.00 20.61           C  
+ATOM   1899  CD  ARG A 231      27.400  90.300 103.385  1.00 23.11           C  
+ATOM   1900  NE  ARG A 231      26.295  89.790 104.192  1.00 25.92           N  
+ATOM   1901  CZ  ARG A 231      26.381  88.764 105.025  1.00 25.06           C  
+ATOM   1902  NH1 ARG A 231      27.517  88.106 105.150  1.00 20.53           N  
+ATOM   1903  NH2 ARG A 231      25.318  88.392 105.720  1.00 26.93           N  
+ATOM   1904  N   LYS A 232      27.862  92.140  98.330  1.00 14.80           N  
+ATOM   1905  CA  LYS A 232      27.402  91.540  97.083  1.00 16.25           C  
+ATOM   1906  C   LYS A 232      27.493  90.014  97.115  1.00 18.31           C  
+ATOM   1907  O   LYS A 232      28.492  89.465  97.563  1.00 19.50           O  
+ATOM   1908  CB  LYS A 232      28.226  92.070  95.917  1.00 16.34           C  
+ATOM   1909  CG  LYS A 232      27.654  91.703  94.544  1.00 15.06           C  
+ATOM   1910  CD  LYS A 232      28.474  92.406  93.442  1.00 18.72           C  
+ATOM   1911  CE  LYS A 232      27.831  92.151  92.084  1.00 18.53           C  
+ATOM   1912  NZ  LYS A 232      28.496  92.901  90.989  1.00 21.62           N  
+ATOM   1913  N   LEU A 233      26.458  89.327  96.637  1.00 14.01           N  
+ATOM   1914  CA  LEU A 233      26.540  87.878  96.472  1.00 14.78           C  
+ATOM   1915  C   LEU A 233      27.421  87.631  95.264  1.00 17.99           C  
+ATOM   1916  O   LEU A 233      27.104  88.080  94.156  1.00 18.68           O  
+ATOM   1917  CB  LEU A 233      25.176  87.263  96.193  1.00 15.59           C  
+ATOM   1918  CG  LEU A 233      25.128  85.740  96.390  1.00 16.69           C  
+ATOM   1919  CD1 LEU A 233      25.254  85.402  97.866  1.00 21.18           C  
+ATOM   1920  CD2 LEU A 233      23.851  85.167  95.826  1.00 17.39           C  
+ATOM   1921  N   LYS A 234      28.528  86.930  95.475  1.00 18.16           N  
+ATOM   1922  CA  LYS A 234      29.465  86.643  94.392  1.00 17.04           C  
+ATOM   1923  C   LYS A 234      29.610  85.134  94.245  1.00 14.44           C  
+ATOM   1924  O   LYS A 234      29.656  84.423  95.244  1.00 16.95           O  
+ATOM   1925  CB  LYS A 234      30.845  87.242  94.725  1.00 15.64           C  
+ATOM   1926  CG  LYS A 234      30.803  88.770  94.871  1.00 23.31           C  
+ATOM   1927  CD  LYS A 234      32.202  89.344  94.967  1.00 28.90           C  
+ATOM   1928  CE  LYS A 234      32.163  90.872  95.047  1.00 23.25           C  
+ATOM   1929  NZ  LYS A 234      33.546  91.406  95.275  1.00 27.42           N  
+ATOM   1930  N   PRO A 235      29.679  84.643  92.997  1.00 18.15           N  
+ATOM   1931  CA  PRO A 235      29.787  83.192  92.762  1.00 16.78           C  
+ATOM   1932  C   PRO A 235      30.883  82.529  93.617  1.00 18.46           C  
+ATOM   1933  O   PRO A 235      30.673  81.466  94.190  1.00 21.05           O  
+ATOM   1934  CB  PRO A 235      30.127  83.120  91.269  1.00 20.53           C  
+ATOM   1935  CG  PRO A 235      29.330  84.293  90.691  1.00 21.03           C  
+ATOM   1936  CD  PRO A 235      29.590  85.396  91.735  1.00 20.42           C  
+ATOM   1937  N   GLU A 236      32.029  83.182  93.737  1.00 20.23           N  
+ATOM   1938  CA  GLU A 236      33.168  82.592  94.449  1.00 21.17           C  
+ATOM   1939  C   GLU A 236      32.920  82.418  95.954  1.00 21.79           C  
+ATOM   1940  O   GLU A 236      33.632  81.657  96.629  1.00 21.49           O  
+ATOM   1941  CB  GLU A 236      34.409  83.463  94.219  1.00 19.12           C  
+ATOM   1942  CG  GLU A 236      34.285  84.847  94.868  1.00 26.54           C  
+ATOM   1943  CD  GLU A 236      35.586  85.647  94.888  1.00 40.96           C  
+ATOM   1944  OE1 GLU A 236      35.612  86.743  95.512  1.00 34.99           O  
+ATOM   1945  OE2 GLU A 236      36.580  85.185  94.287  1.00 42.04           O  
+ATOM   1946  N   SER A 237      31.917  83.114  96.488  1.00 20.67           N  
+ATOM   1947  CA  SER A 237      31.700  83.134  97.937  1.00 20.47           C  
+ATOM   1948  C   SER A 237      30.237  82.995  98.333  1.00 19.75           C  
+ATOM   1949  O   SER A 237      29.900  83.192  99.497  1.00 19.88           O  
+ATOM   1950  CB  SER A 237      32.284  84.417  98.570  1.00 16.36           C  
+ATOM   1951  OG  SER A 237      31.806  85.591  97.932  1.00 17.84           O  
+ATOM   1952  N   MET A 238      29.375  82.634  97.385  1.00 16.53           N  
+ATOM   1953  CA  MET A 238      27.939  82.726  97.627  1.00 19.22           C  
+ATOM   1954  C   MET A 238      27.453  81.944  98.845  1.00 21.09           C  
+ATOM   1955  O   MET A 238      26.555  82.403  99.555  1.00 17.95           O  
+ATOM   1956  CB  MET A 238      27.139  82.318  96.386  1.00 18.47           C  
+ATOM   1957  CG  MET A 238      27.368  80.876  95.972  1.00 20.05           C  
+ATOM   1958  SD  MET A 238      26.740  80.540  94.332  1.00 20.00           S  
+ATOM   1959  CE  MET A 238      25.009  80.955  94.550  1.00 19.24           C  
+ATOM   1960  N   TYR A 239      28.029  80.773  99.100  1.00 19.34           N  
+ATOM   1961  CA  TYR A 239      27.503  79.933 100.179  1.00 22.60           C  
+ATOM   1962  C   TYR A 239      27.863  80.481 101.561  1.00 22.92           C  
+ATOM   1963  O   TYR A 239      27.054  80.430 102.493  1.00 21.56           O  
+ATOM   1964  CB  TYR A 239      27.931  78.464 100.003  1.00 23.11           C  
+ATOM   1965  CG  TYR A 239      27.412  77.851  98.721  1.00 22.90           C  
+ATOM   1966  CD1 TYR A 239      26.060  77.600  98.549  1.00 29.22           C  
+ATOM   1967  CD2 TYR A 239      28.271  77.544  97.672  1.00 26.79           C  
+ATOM   1968  CE1 TYR A 239      25.574  77.059  97.377  1.00 33.57           C  
+ATOM   1969  CE2 TYR A 239      27.790  76.992  96.491  1.00 21.35           C  
+ATOM   1970  CZ  TYR A 239      26.442  76.759  96.352  1.00 30.70           C  
+ATOM   1971  OH  TYR A 239      25.949  76.220  95.189  1.00 28.79           O  
+ATOM   1972  N   GLU A 240      29.068  81.023 101.680  1.00 23.93           N  
+ATOM   1973  CA  GLU A 240      29.512  81.653 102.919  1.00 22.25           C  
+ATOM   1974  C   GLU A 240      28.639  82.860 103.223  1.00 24.23           C  
+ATOM   1975  O   GLU A 240      28.191  83.027 104.349  1.00 24.51           O  
+ATOM   1976  CB  GLU A 240      30.962  82.117 102.833  1.00 25.94           C  
+ATOM   1977  CG  GLU A 240      31.384  82.952 104.064  1.00 29.25           C  
+ATOM   1978  CD  GLU A 240      32.669  83.729 103.856  1.00 43.29           C  
+ATOM   1979  OE1 GLU A 240      32.612  84.830 103.272  1.00 39.55           O  
+ATOM   1980  OE2 GLU A 240      33.740  83.241 104.278  1.00 53.35           O  
+ATOM   1981  N   THR A 241      28.403  83.700 102.216  1.00 21.10           N  
+ATOM   1982  CA  THR A 241      27.514  84.842 102.397  1.00 20.68           C  
+ATOM   1983  C   THR A 241      26.104  84.415 102.805  1.00 16.25           C  
+ATOM   1984  O   THR A 241      25.572  84.916 103.786  1.00 23.63           O  
+ATOM   1985  CB  THR A 241      27.457  85.721 101.130  1.00 23.40           C  
+ATOM   1986  OG1 THR A 241      28.783  86.153 100.817  1.00 21.14           O  
+ATOM   1987  CG2 THR A 241      26.576  86.951 101.353  1.00 19.27           C  
+ATOM   1988  N   TRP A 242      25.486  83.509 102.050  1.00 16.90           N  
+ATOM   1989  CA  TRP A 242      24.126  83.091 102.378  1.00 20.04           C  
+ATOM   1990  C   TRP A 242      24.024  82.406 103.744  1.00 24.02           C  
+ATOM   1991  O   TRP A 242      23.046  82.587 104.471  1.00 22.37           O  
+ATOM   1992  CB  TRP A 242      23.512  82.199 101.292  1.00 22.41           C  
+ATOM   1993  CG  TRP A 242      22.041  82.041 101.515  1.00 24.39           C  
+ATOM   1994  CD1 TRP A 242      21.400  80.958 102.044  1.00 24.00           C  
+ATOM   1995  CD2 TRP A 242      21.033  83.030 101.272  1.00 19.12           C  
+ATOM   1996  NE1 TRP A 242      20.037  81.213 102.132  1.00 25.71           N  
+ATOM   1997  CE2 TRP A 242      19.795  82.478 101.661  1.00 21.39           C  
+ATOM   1998  CE3 TRP A 242      21.059  84.329 100.754  1.00 22.46           C  
+ATOM   1999  CZ2 TRP A 242      18.587  83.182 101.548  1.00 21.31           C  
+ATOM   2000  CZ3 TRP A 242      19.851  85.031 100.639  1.00 23.01           C  
+ATOM   2001  CH2 TRP A 242      18.638  84.452 101.034  1.00 23.22           C  
+ATOM   2002  N   GLU A 243      25.034  81.627 104.106  1.00 27.16           N  
+ATOM   2003  CA  GLU A 243      24.961  80.911 105.377  1.00 31.47           C  
+ATOM   2004  C   GLU A 243      25.161  81.845 106.577  1.00 28.14           C  
+ATOM   2005  O   GLU A 243      24.821  81.490 107.699  1.00 29.21           O  
+ATOM   2006  CB  GLU A 243      25.907  79.697 105.377  1.00 32.35           C  
+ATOM   2007  CG  GLU A 243      25.421  78.607 104.403  1.00 36.81           C  
+ATOM   2008  CD  GLU A 243      26.460  77.521 104.107  1.00 48.36           C  
+ATOM   2009  OE1 GLU A 243      26.246  76.732 103.160  1.00 40.91           O  
+ATOM   2010  OE2 GLU A 243      27.482  77.448 104.815  1.00 49.09           O  
+ATOM   2011  N   ASP A 244      25.654  83.058 106.320  1.00 23.46           N  
+ATOM   2012  CA  ASP A 244      25.863  84.069 107.362  1.00 20.85           C  
+ATOM   2013  C   ASP A 244      24.588  84.905 107.584  1.00 27.96           C  
+ATOM   2014  O   ASP A 244      24.598  86.134 107.439  1.00 27.57           O  
+ATOM   2015  CB  ASP A 244      27.028  84.989 106.980  1.00 26.23           C  
+ATOM   2016  CG  ASP A 244      27.415  85.955 108.097  1.00 32.46           C  
+ATOM   2017  OD1 ASP A 244      27.858  87.082 107.782  1.00 25.11           O  
+ATOM   2018  OD2 ASP A 244      27.291  85.593 109.288  1.00 27.11           O  
+ATOM   2019  N   ASP A 245      23.496  84.234 107.935  1.00 28.23           N  
+ATOM   2020  CA  ASP A 245      22.207  84.913 108.089  1.00 30.37           C  
+ATOM   2021  C   ASP A 245      22.164  85.787 109.338  1.00 33.61           C  
+ATOM   2022  O   ASP A 245      22.941  85.601 110.273  1.00 28.87           O  
+ATOM   2023  CB  ASP A 245      21.064  83.895 108.134  1.00 26.17           C  
+ATOM   2024  CG  ASP A 245      21.179  82.953 109.312  1.00 35.21           C  
+ATOM   2025  OD1 ASP A 245      20.570  83.234 110.364  1.00 32.47           O  
+ATOM   2026  OD2 ASP A 245      21.902  81.946 109.195  1.00 37.48           O  
+ATOM   2027  N   MET A 246      21.227  86.728 109.353  1.00 28.95           N  
+ATOM   2028  CA  MET A 246      21.048  87.614 110.486  1.00 28.81           C  
+ATOM   2029  C   MET A 246      19.826  87.146 111.259  1.00 32.26           C  
+ATOM   2030  O   MET A 246      18.723  87.555 110.952  1.00 28.54           O  
+ATOM   2031  CB  MET A 246      20.832  89.043 109.987  1.00 27.49           C  
+ATOM   2032  CG  MET A 246      21.863  89.480 108.963  0.49 30.57           C  
+ATOM   2033  SD  MET A 246      23.515  89.475 109.690  0.45 29.05           S  
+ATOM   2034  CE  MET A 246      23.335  90.800 110.883  1.00 33.08           C  
+ATOM   2035  N   ASP A 247      20.026  86.267 112.236  1.00 28.93           N  
+ATOM   2036  CA  ASP A 247      18.922  85.727 113.022  1.00 33.78           C  
+ATOM   2037  C   ASP A 247      17.860  85.068 112.165  1.00 34.19           C  
+ATOM   2038  O   ASP A 247      16.676  85.240 112.433  1.00 33.80           O  
+ATOM   2039  CB  ASP A 247      18.236  86.823 113.839  1.00 41.23           C  
+ATOM   2040  CG  ASP A 247      19.067  87.292 115.009  1.00 51.60           C  
+ATOM   2041  OD1 ASP A 247      19.907  86.508 115.503  1.00 52.11           O  
+ATOM   2042  OD2 ASP A 247      18.867  88.450 115.439  1.00 56.30           O  
+ATOM   2043  N   GLY A 248      18.270  84.348 111.123  1.00 25.13           N  
+ATOM   2044  CA  GLY A 248      17.347  83.507 110.379  1.00 23.66           C  
+ATOM   2045  C   GLY A 248      16.730  84.133 109.137  1.00 23.13           C  
+ATOM   2046  O   GLY A 248      15.927  83.494 108.454  1.00 23.55           O  
+ATOM   2047  N   ILE A 249      17.089  85.379 108.855  1.00 23.92           N  
+ATOM   2048  CA  ILE A 249      16.623  86.054 107.638  1.00 24.80           C  
+ATOM   2049  C   ILE A 249      17.766  86.795 106.968  1.00 23.45           C  
+ATOM   2050  O   ILE A 249      18.801  87.028 107.581  1.00 20.26           O  
+ATOM   2051  CB  ILE A 249      15.552  87.121 107.931  1.00 26.13           C  
+ATOM   2052  CG1 ILE A 249      16.125  88.185 108.865  1.00 27.16           C  
+ATOM   2053  CG2 ILE A 249      14.262  86.487 108.478  1.00 30.36           C  
+ATOM   2054  CD1 ILE A 249      15.178  89.309 109.152  1.00 36.67           C  
+ATOM   2055  N   HIS A 250      17.549  87.181 105.711  1.00 20.04           N  
+ATOM   2056  CA  HIS A 250      18.427  88.088 105.003  1.00 20.60           C  
+ATOM   2057  C   HIS A 250      17.529  89.137 104.387  1.00 20.75           C  
+ATOM   2058  O   HIS A 250      16.474  88.810 103.852  1.00 20.15           O  
+ATOM   2059  CB  HIS A 250      19.126  87.393 103.823  1.00 17.84           C  
+ATOM   2060  CG  HIS A 250      20.315  86.565 104.200  1.00 19.98           C  
+ATOM   2061  ND1 HIS A 250      21.454  87.107 104.760  1.00 19.42           N  
+ATOM   2062  CD2 HIS A 250      20.558  85.240 104.061  1.00 20.27           C  
+ATOM   2063  CE1 HIS A 250      22.340  86.149 104.965  1.00 19.62           C  
+ATOM   2064  NE2 HIS A 250      21.821  85.006 104.552  1.00 20.82           N  
+ATOM   2065  N   ILE A 251      17.967  90.383 104.417  1.00 18.23           N  
+ATOM   2066  CA  ILE A 251      17.401  91.367 103.523  1.00 17.33           C  
+ATOM   2067  C   ILE A 251      18.121  91.200 102.190  1.00 22.86           C  
+ATOM   2068  O   ILE A 251      19.353  91.231 102.146  1.00 19.25           O  
+ATOM   2069  CB  ILE A 251      17.607  92.774 104.069  1.00 17.49           C  
+ATOM   2070  CG1 ILE A 251      16.956  92.879 105.456  1.00 23.58           C  
+ATOM   2071  CG2 ILE A 251      17.032  93.809 103.112  1.00 18.11           C  
+ATOM   2072  CD1 ILE A 251      17.390  94.120 106.221  1.00 23.73           C  
+ATOM   2073  N   VAL A 252      17.353  91.000 101.118  1.00 17.74           N  
+ATOM   2074  CA  VAL A 252      17.921  90.737  99.795  1.00 18.24           C  
+ATOM   2075  C   VAL A 252      17.471  91.808  98.813  1.00 21.03           C  
+ATOM   2076  O   VAL A 252      16.283  92.118  98.719  1.00 17.23           O  
+ATOM   2077  CB  VAL A 252      17.471  89.370  99.240  1.00 16.55           C  
+ATOM   2078  CG1 VAL A 252      18.048  89.157  97.825  1.00 20.60           C  
+ATOM   2079  CG2 VAL A 252      17.899  88.257 100.160  1.00 18.06           C  
+ATOM   2080  N   ALA A 253      18.420  92.394  98.099  1.00 13.61           N  
+ATOM   2081  CA  ALA A 253      18.080  93.340  97.046  1.00 12.20           C  
+ATOM   2082  C   ALA A 253      18.587  92.861  95.687  1.00 18.56           C  
+ATOM   2083  O   ALA A 253      19.765  92.526  95.550  1.00 18.73           O  
+ATOM   2084  CB  ALA A 253      18.656  94.691  97.352  1.00 18.05           C  
+ATOM   2085  N   PHE A 254      17.702  92.835  94.689  1.00 16.81           N  
+ATOM   2086  CA  PHE A 254      18.078  92.494  93.316  1.00 15.58           C  
+ATOM   2087  C   PHE A 254      18.211  93.773  92.516  1.00 18.17           C  
+ATOM   2088  O   PHE A 254      17.292  94.616  92.479  1.00 18.42           O  
+ATOM   2089  CB  PHE A 254      17.007  91.616  92.625  1.00 15.22           C  
+ATOM   2090  CG  PHE A 254      16.964  90.198  93.111  1.00 14.55           C  
+ATOM   2091  CD1 PHE A 254      17.841  89.239  92.599  1.00 14.61           C  
+ATOM   2092  CD2 PHE A 254      16.032  89.811  94.062  1.00 16.69           C  
+ATOM   2093  CE1 PHE A 254      17.802  87.938  93.020  1.00 15.75           C  
+ATOM   2094  CE2 PHE A 254      15.985  88.498  94.509  1.00 16.32           C  
+ATOM   2095  CZ  PHE A 254      16.859  87.553  93.984  1.00 15.19           C  
+ATOM   2096  N   ALA A 255      19.342  93.913  91.842  1.00 16.46           N  
+ATOM   2097  CA  ALA A 255      19.586  95.098  91.039  1.00 19.24           C  
+ATOM   2098  C   ALA A 255      20.591  94.768  89.947  1.00 18.57           C  
+ATOM   2099  O   ALA A 255      21.712  94.325  90.229  1.00 18.08           O  
+ATOM   2100  CB  ALA A 255      20.114  96.238  91.915  1.00 18.98           C  
+ATOM   2101  N   GLU A 256      20.182  94.981  88.703  1.00 16.59           N  
+ATOM   2102  CA  GLU A 256      21.066  94.749  87.564  1.00 15.23           C  
+ATOM   2103  C   GLU A 256      21.874  96.013  87.303  1.00 17.97           C  
+ATOM   2104  O   GLU A 256      21.362  97.019  86.822  1.00 19.84           O  
+ATOM   2105  CB  GLU A 256      20.257  94.339  86.327  1.00 19.09           C  
+ATOM   2106  CG  GLU A 256      21.139  93.928  85.169  1.00 30.87           C  
+ATOM   2107  CD  GLU A 256      20.347  93.489  83.960  1.00 50.56           C  
+ATOM   2108  OE1 GLU A 256      19.113  93.266  84.103  1.00 30.15           O  
+ATOM   2109  OE2 GLU A 256      20.971  93.377  82.875  1.00 39.08           O  
+ATOM   2110  N   GLU A 257      23.153  95.957  87.632  1.00 20.66           N  
+ATOM   2111  CA  GLU A 257      23.967  97.160  87.658  1.00 21.15           C  
+ATOM   2112  C   GLU A 257      24.012  97.805  86.270  1.00 19.92           C  
+ATOM   2113  O   GLU A 257      24.110  99.022  86.147  1.00 23.33           O  
+ATOM   2114  CB  GLU A 257      25.376  96.795  88.126  1.00 20.52           C  
+ATOM   2115  CG  GLU A 257      26.337  97.945  88.216  1.00 22.87           C  
+ATOM   2116  CD  GLU A 257      27.698  97.482  88.688  1.00 24.04           C  
+ATOM   2117  OE1 GLU A 257      28.066  96.313  88.421  1.00 23.54           O  
+ATOM   2118  OE2 GLU A 257      28.382  98.273  89.352  1.00 26.34           O  
+ATOM   2119  N   ALA A 258      23.927  96.978  85.237  1.00 20.07           N  
+ATOM   2120  CA  ALA A 258      24.099  97.445  83.860  1.00 25.31           C  
+ATOM   2121  C   ALA A 258      22.839  98.102  83.320  1.00 27.00           C  
+ATOM   2122  O   ALA A 258      22.836  98.648  82.227  1.00 30.46           O  
+ATOM   2123  CB  ALA A 258      24.545  96.290  82.947  1.00 24.35           C  
+ATOM   2124  N   ASP A 259      21.778  98.064  84.119  1.00 22.54           N  
+ATOM   2125  CA  ASP A 259      20.471  98.560  83.726  1.00 24.80           C  
+ATOM   2126  C   ASP A 259      20.252  99.882  84.445  1.00 28.31           C  
+ATOM   2127  O   ASP A 259      20.702 100.043  85.575  1.00 27.24           O  
+ATOM   2128  CB  ASP A 259      19.423  97.515  84.124  1.00 22.48           C  
+ATOM   2129  CG  ASP A 259      18.014  98.012  83.977  1.00 31.75           C  
+ATOM   2130  OD1 ASP A 259      17.398  97.727  82.927  1.00 29.70           O  
+ATOM   2131  OD2 ASP A 259      17.524  98.674  84.918  1.00 24.22           O  
+ATOM   2132  N   PRO A 260      19.596 100.851  83.781  1.00 25.14           N  
+ATOM   2133  CA  PRO A 260      19.475 102.198  84.353  1.00 27.88           C  
+ATOM   2134  C   PRO A 260      18.762 102.183  85.688  1.00 18.39           C  
+ATOM   2135  O   PRO A 260      19.186 102.861  86.623  1.00 24.82           O  
+ATOM   2136  CB  PRO A 260      18.604 102.945  83.331  1.00 31.88           C  
+ATOM   2137  CG  PRO A 260      18.747 102.192  82.076  1.00 33.87           C  
+ATOM   2138  CD  PRO A 260      18.993 100.757  82.443  1.00 33.37           C  
+ATOM   2139  N   ASP A 261      17.675 101.430  85.776  1.00 21.82           N  
+ATOM   2140  CA  ASP A 261      16.921 101.379  87.024  1.00 25.09           C  
+ATOM   2141  C   ASP A 261      17.718 100.602  88.074  1.00 23.26           C  
+ATOM   2142  O   ASP A 261      17.745 100.976  89.246  1.00 23.24           O  
+ATOM   2143  CB  ASP A 261      15.563 100.721  86.803  1.00 22.43           C  
+ATOM   2144  CG  ASP A 261      14.707 101.491  85.816  1.00 31.40           C  
+ATOM   2145  OD1 ASP A 261      14.609 102.720  85.968  1.00 33.02           O  
+ATOM   2146  OD2 ASP A 261      14.182 100.873  84.874  1.00 35.52           O  
+ATOM   2147  N   GLY A 262      18.357  99.519  87.642  1.00 21.80           N  
+ATOM   2148  CA  GLY A 262      19.140  98.695  88.558  1.00 20.96           C  
+ATOM   2149  C   GLY A 262      20.268  99.516  89.153  1.00 20.52           C  
+ATOM   2150  O   GLY A 262      20.546  99.456  90.354  1.00 18.97           O  
+ATOM   2151  N   TYR A 263      20.906 100.308  88.298  1.00 18.92           N  
+ATOM   2152  CA  TYR A 263      21.983 101.200  88.724  1.00 19.64           C  
+ATOM   2153  C   TYR A 263      21.485 102.249  89.722  1.00 19.61           C  
+ATOM   2154  O   TYR A 263      22.107 102.478  90.768  1.00 21.74           O  
+ATOM   2155  CB  TYR A 263      22.637 101.895  87.522  1.00 26.31           C  
+ATOM   2156  CG  TYR A 263      23.677 102.916  87.949  1.00 25.43           C  
+ATOM   2157  CD1 TYR A 263      24.988 102.534  88.203  1.00 35.93           C  
+ATOM   2158  CD2 TYR A 263      23.334 104.251  88.135  1.00 29.64           C  
+ATOM   2159  CE1 TYR A 263      25.944 103.463  88.605  1.00 38.52           C  
+ATOM   2160  CE2 TYR A 263      24.285 105.190  88.542  1.00 34.08           C  
+ATOM   2161  CZ  TYR A 263      25.587 104.782  88.774  1.00 37.51           C  
+ATOM   2162  OH  TYR A 263      26.538 105.697  89.178  1.00 45.84           O  
+ATOM   2163  N   GLU A 264      20.366 102.890  89.408  1.00 20.63           N  
+ATOM   2164  CA  GLU A 264      19.807 103.889  90.322  1.00 19.49           C  
+ATOM   2165  C   GLU A 264      19.474 103.249  91.671  1.00 23.73           C  
+ATOM   2166  O   GLU A 264      19.713 103.842  92.726  1.00 22.43           O  
+ATOM   2167  CB  GLU A 264      18.548 104.538  89.730  1.00 21.20           C  
+ATOM   2168  CG  GLU A 264      17.869 105.537  90.687  0.71 26.51           C  
+ATOM   2169  CD  GLU A 264      16.626 106.207  90.104  0.61 32.92           C  
+ATOM   2170  OE1 GLU A 264      16.107 107.140  90.753  0.71 48.09           O  
+ATOM   2171  OE2 GLU A 264      16.163 105.809  89.011  1.00 35.76           O  
+ATOM   2172  N   PHE A 265      18.931 102.032  91.631  1.00 20.41           N  
+ATOM   2173  CA  PHE A 265      18.538 101.345  92.862  1.00 19.73           C  
+ATOM   2174  C   PHE A 265      19.768 101.011  93.692  1.00 17.24           C  
+ATOM   2175  O   PHE A 265      19.755 101.158  94.910  1.00 18.76           O  
+ATOM   2176  CB  PHE A 265      17.711 100.077  92.566  1.00 17.08           C  
+ATOM   2177  CG  PHE A 265      16.923  99.570  93.755  1.00 19.38           C  
+ATOM   2178  CD1 PHE A 265      15.996 100.387  94.395  1.00 20.37           C  
+ATOM   2179  CD2 PHE A 265      17.101  98.277  94.227  1.00 18.43           C  
+ATOM   2180  CE1 PHE A 265      15.259  99.929  95.479  1.00 20.75           C  
+ATOM   2181  CE2 PHE A 265      16.362  97.804  95.307  1.00 19.39           C  
+ATOM   2182  CZ  PHE A 265      15.438  98.633  95.935  1.00 20.86           C  
+ATOM   2183  N   LEU A 266      20.831 100.565  93.025  1.00 17.81           N  
+ATOM   2184  CA  LEU A 266      22.092 100.292  93.699  1.00 18.21           C  
+ATOM   2185  C   LEU A 266      22.606 101.548  94.413  1.00 17.99           C  
+ATOM   2186  O   LEU A 266      23.087 101.476  95.538  1.00 16.90           O  
+ATOM   2187  CB  LEU A 266      23.133  99.784  92.699  1.00 18.57           C  
+ATOM   2188  CG  LEU A 266      24.527  99.545  93.263  1.00 19.24           C  
+ATOM   2189  CD1 LEU A 266      24.473  98.553  94.421  1.00 21.26           C  
+ATOM   2190  CD2 LEU A 266      25.452  99.033  92.145  1.00 23.73           C  
+ATOM   2191  N   GLU A 267      22.498 102.705  93.770  1.00 17.98           N  
+ATOM   2192  CA  GLU A 267      22.957 103.932  94.433  1.00 21.34           C  
+ATOM   2193  C   GLU A 267      22.134 104.232  95.693  1.00 18.92           C  
+ATOM   2194  O   GLU A 267      22.666 104.692  96.708  1.00 18.75           O  
+ATOM   2195  CB  GLU A 267      22.956 105.121  93.467  1.00 23.81           C  
+ATOM   2196  CG  GLU A 267      24.024 105.000  92.376  1.00 28.21           C  
+ATOM   2197  CD  GLU A 267      25.442 104.974  92.942  1.00 30.62           C  
+ATOM   2198  OE1 GLU A 267      25.831 105.951  93.619  1.00 37.23           O  
+ATOM   2199  OE2 GLU A 267      26.162 103.974  92.728  1.00 34.52           O  
+ATOM   2200  N   ILE A 268      20.842 103.938  95.632  1.00 19.65           N  
+ATOM   2201  CA  ILE A 268      19.974 104.095  96.788  1.00 18.91           C  
+ATOM   2202  C   ILE A 268      20.370 103.136  97.902  1.00 23.02           C  
+ATOM   2203  O   ILE A 268      20.488 103.545  99.059  1.00 18.90           O  
+ATOM   2204  CB  ILE A 268      18.479 103.911  96.415  1.00 21.10           C  
+ATOM   2205  CG1 ILE A 268      18.048 105.002  95.433  1.00 24.16           C  
+ATOM   2206  CG2 ILE A 268      17.585 103.991  97.680  1.00 16.56           C  
+ATOM   2207  CD1 ILE A 268      16.735 104.696  94.716  1.00 24.26           C  
+ATOM   2208  N   LEU A 269      20.578 101.862  97.557  1.00 17.50           N  
+ATOM   2209  CA  LEU A 269      21.032 100.870  98.542  1.00 16.10           C  
+ATOM   2210  C   LEU A 269      22.337 101.311  99.200  1.00 15.39           C  
+ATOM   2211  O   LEU A 269      22.521 101.133 100.398  1.00 15.63           O  
+ATOM   2212  CB  LEU A 269      21.246  99.501  97.888  1.00 18.95           C  
+ATOM   2213  CG  LEU A 269      20.018  98.848  97.258  1.00 20.50           C  
+ATOM   2214  CD1 LEU A 269      20.449  97.600  96.462  1.00 19.12           C  
+ATOM   2215  CD2 LEU A 269      18.990  98.494  98.348  1.00 20.14           C  
+ATOM   2216  N   LYS A 270      23.253 101.865  98.418  1.00 16.36           N  
+ATOM   2217  CA  LYS A 270      24.513 102.363  98.996  1.00 17.50           C  
+ATOM   2218  C   LYS A 270      24.278 103.494  99.998  1.00 20.65           C  
+ATOM   2219  O   LYS A 270      24.935 103.554 101.036  1.00 18.51           O  
+ATOM   2220  CB  LYS A 270      25.483 102.811  97.898  1.00 17.28           C  
+ATOM   2221  CG  LYS A 270      26.042 101.620  97.074  1.00 19.65           C  
+ATOM   2222  CD  LYS A 270      26.591 102.075  95.719  1.00 26.46           C  
+ATOM   2223  CE  LYS A 270      27.698 103.072  95.897  1.00 28.51           C  
+ATOM   2224  NZ  LYS A 270      28.260 103.590  94.612  1.00 33.36           N  
+ATOM   2225  N   SER A 271      23.354 104.393  99.680  1.00 21.76           N  
+ATOM   2226  CA  SER A 271      22.949 105.438 100.635  1.00 21.89           C  
+ATOM   2227  C   SER A 271      22.362 104.844 101.924  1.00 19.96           C  
+ATOM   2228  O   SER A 271      22.676 105.290 103.028  1.00 22.82           O  
+ATOM   2229  CB  SER A 271      21.919 106.370  99.997  1.00 26.62           C  
+ATOM   2230  OG  SER A 271      22.475 107.055  98.891  1.00 34.70           O  
+ATOM   2231  N   VAL A 272      21.482 103.854 101.786  1.00 20.16           N  
+ATOM   2232  CA  VAL A 272      20.896 103.194 102.954  1.00 18.42           C  
+ATOM   2233  C   VAL A 272      22.000 102.589 103.798  1.00 21.42           C  
+ATOM   2234  O   VAL A 272      22.003 102.726 105.031  1.00 21.87           O  
+ATOM   2235  CB  VAL A 272      19.907 102.076 102.564  1.00 24.03           C  
+ATOM   2236  CG1 VAL A 272      19.515 101.250 103.799  1.00 24.50           C  
+ATOM   2237  CG2 VAL A 272      18.658 102.668 101.884  1.00 23.42           C  
+ATOM   2238  N   ALA A 273      22.947 101.930 103.127  1.00 17.81           N  
+ATOM   2239  CA  ALA A 273      24.068 101.296 103.819  1.00 18.93           C  
+ATOM   2240  C   ALA A 273      24.870 102.335 104.580  1.00 19.13           C  
+ATOM   2241  O   ALA A 273      25.178 102.168 105.763  1.00 22.21           O  
+ATOM   2242  CB  ALA A 273      24.974 100.544 102.801  1.00 21.05           C  
+ATOM   2243  N   GLN A 274      25.213 103.410 103.885  1.00 18.62           N  
+ATOM   2244  CA  GLN A 274      26.061 104.445 104.470  1.00 22.30           C  
+ATOM   2245  C   GLN A 274      25.398 105.069 105.693  1.00 27.86           C  
+ATOM   2246  O   GLN A 274      26.059 105.359 106.696  1.00 25.52           O  
+ATOM   2247  CB  GLN A 274      26.414 105.504 103.428  1.00 20.39           C  
+ATOM   2248  CG  GLN A 274      27.669 105.139 102.626  1.00 48.58           C  
+ATOM   2249  CD  GLN A 274      27.588 105.491 101.146  1.00 47.98           C  
+ATOM   2250  OE1 GLN A 274      27.046 106.536 100.762  1.00 47.20           O  
+ATOM   2251  NE2 GLN A 274      28.135 104.612 100.302  1.00 29.66           N  
+ATOM   2252  N   ASP A 275      24.080 105.217 105.637  1.00 23.23           N  
+ATOM   2253  CA  ASP A 275      23.363 105.870 106.727  1.00 22.26           C  
+ATOM   2254  C   ASP A 275      23.170 104.939 107.920  1.00 30.92           C  
+ATOM   2255  O   ASP A 275      22.789 105.373 109.001  1.00 25.86           O  
+ATOM   2256  CB  ASP A 275      22.013 106.394 106.237  1.00 27.19           C  
+ATOM   2257  CG  ASP A 275      21.424 107.432 107.182  1.00 35.30           C  
+ATOM   2258  OD1 ASP A 275      22.209 108.210 107.779  1.00 30.02           O  
+ATOM   2259  OD2 ASP A 275      20.187 107.444 107.353  1.00 44.26           O  
+ATOM   2260  N   ASN A 276      23.416 103.649 107.718  1.00 20.08           N  
+ATOM   2261  CA  ASN A 276      23.234 102.678 108.791  1.00 25.70           C  
+ATOM   2262  C   ASN A 276      24.480 101.861 109.073  1.00 26.92           C  
+ATOM   2263  O   ASN A 276      24.403 100.763 109.614  1.00 26.85           O  
+ATOM   2264  CB  ASN A 276      22.089 101.725 108.450  1.00 25.11           C  
+ATOM   2265  CG  ASN A 276      20.748 102.415 108.438  1.00 30.18           C  
+ATOM   2266  OD1 ASN A 276      20.139 102.624 109.486  1.00 31.14           O  
+ATOM   2267  ND2 ASN A 276      20.281 102.783 107.249  1.00 25.72           N  
+ATOM   2268  N   THR A 277      25.636 102.395 108.710  1.00 27.35           N  
+ATOM   2269  CA  THR A 277      26.825 101.565 108.682  1.00 29.57           C  
+ATOM   2270  C   THR A 277      27.228 101.050 110.061  1.00 36.34           C  
+ATOM   2271  O   THR A 277      27.803  99.967 110.168  1.00 29.56           O  
+ATOM   2272  CB  THR A 277      28.003 102.261 107.980  1.00 34.20           C  
+ATOM   2273  OG1 THR A 277      29.043 101.299 107.751  1.00 33.29           O  
+ATOM   2274  CG2 THR A 277      28.518 103.448 108.813  1.00 28.81           C  
+ATOM   2275  N   ASP A 278      26.895 101.794 111.116  1.00 29.50           N  
+ATOM   2276  CA  ASP A 278      27.295 101.379 112.462  1.00 39.70           C  
+ATOM   2277  C   ASP A 278      26.293 100.443 113.132  1.00 41.42           C  
+ATOM   2278  O   ASP A 278      26.521  99.956 114.247  1.00 36.05           O  
+ATOM   2279  CB  ASP A 278      27.594 102.601 113.334  0.61 41.44           C  
+ATOM   2280  CG  ASP A 278      28.848 103.334 112.883  0.76 38.30           C  
+ATOM   2281  OD1 ASP A 278      29.840 102.653 112.545  1.00 49.75           O  
+ATOM   2282  OD2 ASP A 278      28.830 104.581 112.846  0.81 48.87           O  
+ATOM   2283  N   ASN A 279      25.193 100.174 112.440  1.00 30.79           N  
+ATOM   2284  CA  ASN A 279      24.184  99.254 112.946  1.00 32.68           C  
+ATOM   2285  C   ASN A 279      24.571  97.802 112.672  1.00 37.53           C  
+ATOM   2286  O   ASN A 279      24.425  97.322 111.550  1.00 39.15           O  
+ATOM   2287  CB  ASN A 279      22.829  99.567 112.293  1.00 29.39           C  
+ATOM   2288  CG  ASN A 279      21.713  98.683 112.816  1.00 43.16           C  
+ATOM   2289  OD1 ASN A 279      21.961  97.650 113.444  1.00 39.86           O  
+ATOM   2290  ND2 ASN A 279      20.472  99.079 112.546  1.00 43.80           N  
+ATOM   2291  N   PRO A 280      25.034  97.081 113.701  1.00 34.77           N  
+ATOM   2292  CA  PRO A 280      25.574  95.740 113.464  1.00 38.37           C  
+ATOM   2293  C   PRO A 280      24.480  94.728 113.116  1.00 39.09           C  
+ATOM   2294  O   PRO A 280      24.781  93.609 112.691  1.00 41.04           O  
+ATOM   2295  CB  PRO A 280      26.189  95.386 114.815  1.00 47.00           C  
+ATOM   2296  CG  PRO A 280      25.296  96.076 115.796  1.00 42.37           C  
+ATOM   2297  CD  PRO A 280      24.895  97.373 115.138  1.00 39.53           C  
+ATOM   2298  N   ASP A 281      23.224  95.114 113.300  1.00 38.26           N  
+ATOM   2299  CA  ASP A 281      22.111  94.204 113.037  1.00 38.30           C  
+ATOM   2300  C   ASP A 281      21.654  94.263 111.581  1.00 42.74           C  
+ATOM   2301  O   ASP A 281      20.798  93.486 111.163  1.00 35.86           O  
+ATOM   2302  CB  ASP A 281      20.932  94.503 113.967  1.00 46.52           C  
+ATOM   2303  CG  ASP A 281      21.234  94.185 115.429  1.00 48.87           C  
+ATOM   2304  OD1 ASP A 281      22.097  93.317 115.702  1.00 49.31           O  
+ATOM   2305  OD2 ASP A 281      20.592  94.806 116.306  1.00 47.86           O  
+ATOM   2306  N   LEU A 282      22.227  95.180 110.809  1.00 36.00           N  
+ATOM   2307  CA  LEU A 282      21.846  95.339 109.412  1.00 25.39           C  
+ATOM   2308  C   LEU A 282      22.884  94.803 108.433  1.00 28.23           C  
+ATOM   2309  O   LEU A 282      24.028  95.260 108.409  1.00 29.20           O  
+ATOM   2310  CB  LEU A 282      21.577  96.808 109.096  1.00 26.58           C  
+ATOM   2311  CG  LEU A 282      21.195  97.069 107.642  1.00 25.50           C  
+ATOM   2312  CD1 LEU A 282      19.853  96.389 107.300  1.00 28.26           C  
+ATOM   2313  CD2 LEU A 282      21.117  98.561 107.377  1.00 27.73           C  
+ATOM   2314  N   SER A 283      22.486  93.836 107.618  1.00 27.59           N  
+ATOM   2315  CA  SER A 283      23.269  93.500 106.435  1.00 23.73           C  
+ATOM   2316  C   SER A 283      22.313  93.206 105.274  1.00 21.40           C  
+ATOM   2317  O   SER A 283      21.322  92.490 105.427  1.00 29.65           O  
+ATOM   2318  CB  SER A 283      24.231  92.322 106.680  1.00 30.45           C  
+ATOM   2319  OG  SER A 283      25.138  92.153 105.569  1.00 27.30           O  
+ATOM   2320  N   ILE A 284      22.585  93.817 104.137  1.00 13.80           N  
+ATOM   2321  CA  ILE A 284      21.762  93.640 102.981  1.00 15.54           C  
+ATOM   2322  C   ILE A 284      22.621  92.912 101.972  1.00 19.23           C  
+ATOM   2323  O   ILE A 284      23.777  93.273 101.767  1.00 16.69           O  
+ATOM   2324  CB  ILE A 284      21.359  94.989 102.404  1.00 19.32           C  
+ATOM   2325  CG1 ILE A 284      20.508  95.766 103.423  1.00 22.57           C  
+ATOM   2326  CG2 ILE A 284      20.611  94.804 101.076  1.00 16.78           C  
+ATOM   2327  CD1 ILE A 284      20.281  97.211 103.004  1.00 23.66           C  
+ATOM   2328  N   ILE A 285      22.063  91.883 101.355  1.00 15.66           N  
+ATOM   2329  CA  ILE A 285      22.761  91.188 100.281  1.00 12.36           C  
+ATOM   2330  C   ILE A 285      22.284  91.722  98.943  1.00 16.48           C  
+ATOM   2331  O   ILE A 285      21.090  91.653  98.634  1.00 15.97           O  
+ATOM   2332  CB  ILE A 285      22.519  89.684 100.319  1.00 16.56           C  
+ATOM   2333  CG1 ILE A 285      23.128  89.079 101.596  1.00 20.75           C  
+ATOM   2334  CG2 ILE A 285      23.117  89.030  99.054  1.00 17.18           C  
+ATOM   2335  CD1 ILE A 285      22.837  87.580 101.749  1.00 21.99           C  
+ATOM   2336  N   TRP A 286      23.211  92.267  98.161  1.00 13.77           N  
+ATOM   2337  CA  TRP A 286      22.888  92.699  96.821  1.00 14.68           C  
+ATOM   2338  C   TRP A 286      23.149  91.560  95.864  1.00 16.12           C  
+ATOM   2339  O   TRP A 286      24.261  91.059  95.799  1.00 13.47           O  
+ATOM   2340  CB  TRP A 286      23.762  93.879  96.408  1.00 14.49           C  
+ATOM   2341  CG  TRP A 286      23.713  94.146  94.924  1.00 16.24           C  
+ATOM   2342  CD1 TRP A 286      22.644  93.920  94.064  1.00 16.16           C  
+ATOM   2343  CD2 TRP A 286      24.772  94.657  94.117  1.00 16.30           C  
+ATOM   2344  NE1 TRP A 286      22.995  94.274  92.790  1.00 15.65           N  
+ATOM   2345  CE2 TRP A 286      24.296  94.726  92.794  1.00 17.67           C  
+ATOM   2346  CE3 TRP A 286      26.092  95.056  94.384  1.00 15.50           C  
+ATOM   2347  CZ2 TRP A 286      25.087  95.185  91.742  1.00 16.26           C  
+ATOM   2348  CZ3 TRP A 286      26.875  95.529  93.338  1.00 16.68           C  
+ATOM   2349  CH2 TRP A 286      26.365  95.589  92.031  1.00 17.04           C  
+ATOM   2350  N   ILE A 287      22.127  91.152  95.120  1.00 13.81           N  
+ATOM   2351  CA  ILE A 287      22.319  90.176  94.063  1.00 14.83           C  
+ATOM   2352  C   ILE A 287      22.097  90.826  92.720  1.00 19.27           C  
+ATOM   2353  O   ILE A 287      21.030  91.413  92.481  1.00 15.53           O  
+ATOM   2354  CB  ILE A 287      21.323  89.000  94.184  1.00 12.55           C  
+ATOM   2355  CG1 ILE A 287      21.533  88.299  95.529  1.00 15.77           C  
+ATOM   2356  CG2 ILE A 287      21.495  88.023  92.989  1.00 16.16           C  
+ATOM   2357  CD1 ILE A 287      20.512  87.182  95.806  1.00 20.08           C  
+ATOM   2358  N   ASP A 288      23.091  90.738  91.835  1.00 16.35           N  
+ATOM   2359  CA  ASP A 288      22.871  91.164  90.454  1.00 13.14           C  
+ATOM   2360  C   ASP A 288      22.458  89.935  89.663  1.00 16.29           C  
+ATOM   2361  O   ASP A 288      23.233  88.999  89.521  1.00 19.99           O  
+ATOM   2362  CB  ASP A 288      24.134  91.788  89.849  1.00 16.34           C  
+ATOM   2363  CG  ASP A 288      23.880  92.426  88.486  1.00 19.38           C  
+ATOM   2364  OD1 ASP A 288      23.026  91.913  87.730  1.00 18.11           O  
+ATOM   2365  OD2 ASP A 288      24.540  93.441  88.163  1.00 18.04           O  
+ATOM   2366  N   PRO A 289      21.215  89.916  89.163  1.00 16.55           N  
+ATOM   2367  CA  PRO A 289      20.738  88.710  88.462  1.00 15.27           C  
+ATOM   2368  C   PRO A 289      21.618  88.302  87.278  1.00 17.85           C  
+ATOM   2369  O   PRO A 289      21.654  87.132  86.910  1.00 17.90           O  
+ATOM   2370  CB  PRO A 289      19.353  89.123  87.926  1.00 22.11           C  
+ATOM   2371  CG  PRO A 289      18.977  90.366  88.629  1.00 26.18           C  
+ATOM   2372  CD  PRO A 289      20.258  91.034  89.096  1.00 15.61           C  
+ATOM   2373  N   ASP A 290      22.278  89.266  86.658  1.00 19.88           N  
+ATOM   2374  CA AASP A 290      23.123  88.952  85.514  0.49 21.72           C  
+ATOM   2375  CA BASP A 290      23.171  89.018  85.530  0.51 21.76           C  
+ATOM   2376  C   ASP A 290      24.273  88.023  85.907  1.00 21.58           C  
+ATOM   2377  O   ASP A 290      24.808  87.306  85.065  1.00 19.52           O  
+ATOM   2378  CB AASP A 290      23.659  90.226  84.851  0.49 21.34           C  
+ATOM   2379  CB BASP A 290      23.817  90.338  85.070  0.51 20.78           C  
+ATOM   2380  CG AASP A 290      24.338  89.944  83.512  0.49 25.57           C  
+ATOM   2381  CG BASP A 290      22.894  91.183  84.198  0.51 25.81           C  
+ATOM   2382  OD1AASP A 290      25.562  90.149  83.402  0.49 26.64           O  
+ATOM   2383  OD1BASP A 290      21.857  90.654  83.737  0.51 32.90           O  
+ATOM   2384  OD2AASP A 290      23.644  89.492  82.577  0.49 27.45           O  
+ATOM   2385  OD2BASP A 290      23.223  92.373  83.953  0.51 26.75           O  
+ATOM   2386  N   ASP A 291      24.633  88.009  87.185  1.00 17.98           N  
+ATOM   2387  CA  ASP A 291      25.722  87.155  87.669  1.00 20.76           C  
+ATOM   2388  C   ASP A 291      25.322  85.691  87.843  1.00 20.30           C  
+ATOM   2389  O   ASP A 291      26.200  84.817  87.999  1.00 16.55           O  
+ATOM   2390  CB  ASP A 291      26.281  87.667  89.011  1.00 17.35           C  
+ATOM   2391  CG  ASP A 291      27.050  88.979  88.875  1.00 25.85           C  
+ATOM   2392  OD1 ASP A 291      27.508  89.298  87.766  1.00 22.28           O  
+ATOM   2393  OD2 ASP A 291      27.183  89.700  89.884  1.00 20.94           O  
+ATOM   2394  N   PHE A 292      24.011  85.432  87.864  1.00 19.08           N  
+ATOM   2395  CA  PHE A 292      23.504  84.098  88.190  1.00 16.42           C  
+ATOM   2396  C   PHE A 292      22.386  83.674  87.241  1.00 20.17           C  
+ATOM   2397  O   PHE A 292      21.260  83.440  87.678  1.00 16.31           O  
+ATOM   2398  CB  PHE A 292      22.983  84.059  89.634  1.00 17.13           C  
+ATOM   2399  CG  PHE A 292      24.039  84.319  90.676  1.00 17.42           C  
+ATOM   2400  CD1 PHE A 292      24.785  83.270  91.194  1.00 15.26           C  
+ATOM   2401  CD2 PHE A 292      24.265  85.611  91.159  1.00 17.64           C  
+ATOM   2402  CE1 PHE A 292      25.759  83.500  92.178  1.00 22.13           C  
+ATOM   2403  CE2 PHE A 292      25.229  85.845  92.137  1.00 19.59           C  
+ATOM   2404  CZ  PHE A 292      25.979  84.776  92.640  1.00 18.04           C  
+ATOM   2405  N   PRO A 293      22.699  83.562  85.936  1.00 20.46           N  
+ATOM   2406  CA  PRO A 293      21.673  83.285  84.929  1.00 22.01           C  
+ATOM   2407  C   PRO A 293      20.906  82.001  85.193  1.00 23.34           C  
+ATOM   2408  O   PRO A 293      19.723  81.958  84.862  1.00 21.76           O  
+ATOM   2409  CB  PRO A 293      22.470  83.170  83.619  1.00 23.20           C  
+ATOM   2410  CG  PRO A 293      23.891  82.893  84.039  1.00 24.22           C  
+ATOM   2411  CD  PRO A 293      24.054  83.609  85.356  1.00 21.97           C  
+ATOM   2412  N   LEU A 294      21.554  81.001  85.782  1.00 19.53           N  
+ATOM   2413  CA  LEU A 294      20.929  79.701  86.038  1.00 19.89           C  
+ATOM   2414  C   LEU A 294      19.953  79.690  87.218  1.00 22.09           C  
+ATOM   2415  O   LEU A 294      19.169  78.752  87.362  1.00 24.07           O  
+ATOM   2416  CB  LEU A 294      21.985  78.607  86.210  1.00 19.88           C  
+ATOM   2417  CG  LEU A 294      22.908  78.419  84.997  1.00 22.19           C  
+ATOM   2418  CD1 LEU A 294      23.878  77.275  85.253  1.00 24.47           C  
+ATOM   2419  CD2 LEU A 294      22.079  78.153  83.746  1.00 18.43           C  
+ATOM   2420  N   LEU A 295      19.973  80.745  88.030  1.00 16.27           N  
+ATOM   2421  CA  LEU A 295      19.078  80.848  89.185  1.00 16.02           C  
+ATOM   2422  C   LEU A 295      17.908  81.807  88.967  1.00 18.04           C  
+ATOM   2423  O   LEU A 295      16.977  81.870  89.768  1.00 17.41           O  
+ATOM   2424  CB  LEU A 295      19.865  81.287  90.441  1.00 15.90           C  
+ATOM   2425  CG  LEU A 295      20.770  80.205  91.041  1.00 20.33           C  
+ATOM   2426  CD1 LEU A 295      21.674  80.735  92.170  1.00 18.35           C  
+ATOM   2427  CD2 LEU A 295      19.928  79.058  91.550  1.00 18.44           C  
+ATOM   2428  N   VAL A 296      17.945  82.582  87.899  1.00 15.64           N  
+ATOM   2429  CA  VAL A 296      16.883  83.568  87.707  1.00 15.90           C  
+ATOM   2430  C   VAL A 296      15.488  82.928  87.605  1.00 19.17           C  
+ATOM   2431  O   VAL A 296      14.554  83.397  88.240  1.00 18.09           O  
+ATOM   2432  CB  VAL A 296      17.183  84.529  86.524  1.00 18.16           C  
+ATOM   2433  CG1 VAL A 296      15.959  85.368  86.183  1.00 17.51           C  
+ATOM   2434  CG2 VAL A 296      18.361  85.442  86.877  1.00 17.76           C  
+ATOM   2435  N   PRO A 297      15.332  81.845  86.823  1.00 21.99           N  
+ATOM   2436  CA  PRO A 297      13.978  81.254  86.795  1.00 21.23           C  
+ATOM   2437  C   PRO A 297      13.526  80.802  88.183  1.00 17.84           C  
+ATOM   2438  O   PRO A 297      12.399  81.047  88.592  1.00 19.55           O  
+ATOM   2439  CB  PRO A 297      14.144  80.050  85.848  1.00 20.42           C  
+ATOM   2440  CG  PRO A 297      15.207  80.528  84.876  1.00 21.62           C  
+ATOM   2441  CD  PRO A 297      16.210  81.265  85.792  1.00 18.80           C  
+ATOM   2442  N   TYR A 298      14.412  80.141  88.913  1.00 16.69           N  
+ATOM   2443  CA  TYR A 298      14.100  79.728  90.265  1.00 17.11           C  
+ATOM   2444  C   TYR A 298      13.690  80.912  91.168  1.00 22.04           C  
+ATOM   2445  O   TYR A 298      12.697  80.834  91.907  1.00 19.65           O  
+ATOM   2446  CB  TYR A 298      15.295  78.996  90.857  1.00 20.74           C  
+ATOM   2447  CG  TYR A 298      15.196  78.794  92.346  1.00 25.04           C  
+ATOM   2448  CD1 TYR A 298      14.479  77.726  92.881  1.00 27.19           C  
+ATOM   2449  CD2 TYR A 298      15.829  79.672  93.225  1.00 24.61           C  
+ATOM   2450  CE1 TYR A 298      14.392  77.544  94.246  1.00 27.70           C  
+ATOM   2451  CE2 TYR A 298      15.750  79.493  94.578  1.00 25.24           C  
+ATOM   2452  CZ  TYR A 298      15.033  78.433  95.086  1.00 29.82           C  
+ATOM   2453  OH  TYR A 298      14.969  78.270  96.447  1.00 39.70           O  
+ATOM   2454  N   TRP A 299      14.447  82.007  91.113  1.00 21.40           N  
+ATOM   2455  CA  TRP A 299      14.139  83.175  91.948  1.00 16.88           C  
+ATOM   2456  C   TRP A 299      12.789  83.783  91.580  1.00 21.14           C  
+ATOM   2457  O   TRP A 299      11.956  84.099  92.447  1.00 19.43           O  
+ATOM   2458  CB  TRP A 299      15.239  84.229  91.811  1.00 16.51           C  
+ATOM   2459  CG  TRP A 299      16.494  83.875  92.571  1.00 19.69           C  
+ATOM   2460  CD1 TRP A 299      16.588  83.141  93.731  1.00 16.70           C  
+ATOM   2461  CD2 TRP A 299      17.827  84.232  92.209  1.00 15.78           C  
+ATOM   2462  NE1 TRP A 299      17.917  83.033  94.109  1.00 20.88           N  
+ATOM   2463  CE2 TRP A 299      18.690  83.699  93.190  1.00 22.75           C  
+ATOM   2464  CE3 TRP A 299      18.375  84.955  91.148  1.00 17.32           C  
+ATOM   2465  CZ2 TRP A 299      20.084  83.872  93.133  1.00 15.94           C  
+ATOM   2466  CZ3 TRP A 299      19.749  85.119  91.093  1.00 17.62           C  
+ATOM   2467  CH2 TRP A 299      20.582  84.590  92.081  1.00 13.04           C  
+ATOM   2468  N   GLU A 300      12.571  83.940  90.286  1.00 19.18           N  
+ATOM   2469  CA  GLU A 300      11.319  84.528  89.832  1.00 19.77           C  
+ATOM   2470  C   GLU A 300      10.120  83.662  90.258  1.00 20.72           C  
+ATOM   2471  O   GLU A 300       9.111  84.186  90.726  1.00 21.72           O  
+ATOM   2472  CB  GLU A 300      11.368  84.800  88.324  1.00 19.13           C  
+ATOM   2473  CG  GLU A 300      12.231  86.014  87.990  1.00 20.09           C  
+ATOM   2474  CD  GLU A 300      12.224  86.386  86.523  1.00 22.83           C  
+ATOM   2475  OE1 GLU A 300      11.951  85.504  85.680  1.00 27.78           O  
+ATOM   2476  OE2 GLU A 300      12.514  87.556  86.206  1.00 24.51           O  
+ATOM   2477  N   LYS A 301      10.252  82.347  90.140  1.00 21.86           N  
+ATOM   2478  CA  LYS A 301       9.188  81.435  90.559  1.00 27.21           C  
+ATOM   2479  C   LYS A 301       9.009  81.416  92.073  1.00 24.04           C  
+ATOM   2480  O   LYS A 301       7.899  81.534  92.580  1.00 24.91           O  
+ATOM   2481  CB  LYS A 301       9.471  80.016  90.059  1.00 28.88           C  
+ATOM   2482  CG  LYS A 301       8.458  78.965  90.521  1.00 35.83           C  
+ATOM   2483  CD  LYS A 301       8.807  77.586  89.964  1.00 40.78           C  
+ATOM   2484  CE  LYS A 301       7.874  76.495  90.492  1.00 42.50           C  
+ATOM   2485  NZ  LYS A 301       8.284  75.143  90.011  1.00 44.05           N  
+ATOM   2486  N   THR A 302      10.112  81.288  92.797  1.00 21.06           N  
+ATOM   2487  CA  THR A 302      10.077  81.133  94.243  1.00 22.37           C  
+ATOM   2488  C   THR A 302       9.614  82.394  94.979  1.00 27.92           C  
+ATOM   2489  O   THR A 302       8.831  82.324  95.931  1.00 24.12           O  
+ATOM   2490  CB  THR A 302      11.474  80.725  94.768  1.00 24.71           C  
+ATOM   2491  OG1 THR A 302      11.888  79.524  94.113  1.00 27.25           O  
+ATOM   2492  CG2 THR A 302      11.449  80.487  96.263  1.00 26.01           C  
+ATOM   2493  N   PHE A 303      10.100  83.545  94.530  1.00 21.62           N  
+ATOM   2494  CA  PHE A 303       9.800  84.818  95.178  1.00 22.90           C  
+ATOM   2495  C   PHE A 303       8.624  85.533  94.510  1.00 22.64           C  
+ATOM   2496  O   PHE A 303       8.143  86.538  95.016  1.00 23.29           O  
+ATOM   2497  CB  PHE A 303      11.041  85.734  95.149  1.00 21.18           C  
+ATOM   2498  CG  PHE A 303      12.225  85.181  95.895  1.00 18.93           C  
+ATOM   2499  CD1 PHE A 303      12.050  84.425  97.046  1.00 24.11           C  
+ATOM   2500  CD2 PHE A 303      13.517  85.403  95.439  1.00 19.98           C  
+ATOM   2501  CE1 PHE A 303      13.149  83.909  97.734  1.00 26.48           C  
+ATOM   2502  CE2 PHE A 303      14.614  84.894  96.118  1.00 20.32           C  
+ATOM   2503  CZ  PHE A 303      14.435  84.143  97.265  1.00 21.39           C  
+ATOM   2504  N   ASP A 304       8.198  85.030  93.354  1.00 23.99           N  
+ATOM   2505  CA  ASP A 304       7.111  85.651  92.600  1.00 22.96           C  
+ATOM   2506  C   ASP A 304       7.424  87.118  92.278  1.00 29.26           C  
+ATOM   2507  O   ASP A 304       6.637  88.016  92.569  1.00 27.88           O  
+ATOM   2508  CB  ASP A 304       5.790  85.528  93.383  1.00 27.94           C  
+ATOM   2509  CG  ASP A 304       4.568  85.847  92.538  1.00 38.67           C  
+ATOM   2510  OD1 ASP A 304       3.535  86.251  93.121  1.00 43.06           O  
+ATOM   2511  OD2 ASP A 304       4.633  85.701  91.297  1.00 36.36           O  
+ATOM   2512  N   ILE A 305       8.577  87.358  91.666  1.00 19.43           N  
+ATOM   2513  CA  ILE A 305       8.968  88.708  91.296  1.00 18.75           C  
+ATOM   2514  C   ILE A 305       9.519  88.723  89.879  1.00 19.99           C  
+ATOM   2515  O   ILE A 305       9.874  87.684  89.339  1.00 23.09           O  
+ATOM   2516  CB  ILE A 305      10.035  89.278  92.288  1.00 21.58           C  
+ATOM   2517  CG1 ILE A 305      11.225  88.325  92.407  1.00 22.57           C  
+ATOM   2518  CG2 ILE A 305       9.409  89.507  93.658  1.00 23.54           C  
+ATOM   2519  CD1 ILE A 305      12.285  88.787  93.449  1.00 20.18           C  
+ATOM   2520  N   ASP A 306       9.562  89.903  89.274  1.00 21.26           N  
+ATOM   2521  CA  ASP A 306      10.112  90.068  87.938  1.00 23.19           C  
+ATOM   2522  C   ASP A 306      11.514  90.638  88.083  1.00 21.34           C  
+ATOM   2523  O   ASP A 306      11.665  91.787  88.459  1.00 19.83           O  
+ATOM   2524  CB  ASP A 306       9.237  91.040  87.158  1.00 28.14           C  
+ATOM   2525  CG  ASP A 306       9.736  91.291  85.754  1.00 35.76           C  
+ATOM   2526  OD1 ASP A 306      10.882  90.893  85.418  1.00 23.85           O  
+ATOM   2527  OD2 ASP A 306       8.963  91.911  84.986  1.00 36.99           O  
+ATOM   2528  N   LEU A 307      12.533  89.834  87.790  1.00 20.27           N  
+ATOM   2529  CA  LEU A 307      13.912  90.263  88.004  1.00 20.91           C  
+ATOM   2530  C   LEU A 307      14.422  91.190  86.908  1.00 22.36           C  
+ATOM   2531  O   LEU A 307      15.575  91.596  86.918  1.00 24.25           O  
+ATOM   2532  CB  LEU A 307      14.865  89.068  88.209  1.00 19.43           C  
+ATOM   2533  CG  LEU A 307      14.693  88.344  89.551  1.00 19.02           C  
+ATOM   2534  CD1 LEU A 307      15.851  87.382  89.848  1.00 21.89           C  
+ATOM   2535  CD2 LEU A 307      14.558  89.342  90.667  1.00 21.65           C  
+ATOM   2536  N   SER A 308      13.571  91.555  85.965  1.00 21.69           N  
+ATOM   2537  CA  SER A 308      13.971  92.635  85.080  1.00 27.65           C  
+ATOM   2538  C   SER A 308      13.746  94.001  85.754  1.00 23.77           C  
+ATOM   2539  O   SER A 308      14.090  95.042  85.186  1.00 25.48           O  
+ATOM   2540  CB  SER A 308      13.252  92.538  83.732  1.00 34.49           C  
+ATOM   2541  OG  SER A 308      11.902  92.914  83.879  1.00 33.57           O  
+ATOM   2542  N   ALA A 309      13.186  94.000  86.968  1.00 18.02           N  
+ATOM   2543  CA  ALA A 309      13.050  95.236  87.752  1.00 18.85           C  
+ATOM   2544  C   ALA A 309      13.812  95.088  89.062  1.00 18.16           C  
+ATOM   2545  O   ALA A 309      13.929  93.993  89.559  1.00 19.06           O  
+ATOM   2546  CB  ALA A 309      11.580  95.518  88.069  1.00 19.19           C  
+ATOM   2547  N   PRO A 310      14.290  96.205  89.635  1.00 19.12           N  
+ATOM   2548  CA  PRO A 310      14.915  96.160  90.965  1.00 22.44           C  
+ATOM   2549  C   PRO A 310      13.912  95.620  91.979  1.00 20.34           C  
+ATOM   2550  O   PRO A 310      12.703  95.826  91.803  1.00 19.26           O  
+ATOM   2551  CB  PRO A 310      15.202  97.639  91.266  1.00 23.47           C  
+ATOM   2552  CG  PRO A 310      15.261  98.299  89.911  1.00 24.62           C  
+ATOM   2553  CD  PRO A 310      14.216  97.576  89.106  1.00 23.39           C  
+ATOM   2554  N   GLN A 311      14.387  94.940  93.014  1.00 16.04           N  
+ATOM   2555  CA  GLN A 311      13.495  94.405  94.030  1.00 16.48           C  
+ATOM   2556  C   GLN A 311      14.205  94.495  95.367  1.00 21.99           C  
+ATOM   2557  O   GLN A 311      15.430  94.466  95.417  1.00 18.55           O  
+ATOM   2558  CB  GLN A 311      13.175  92.929  93.744  1.00 19.81           C  
+ATOM   2559  CG  GLN A 311      12.676  92.632  92.338  1.00 16.51           C  
+ATOM   2560  CD  GLN A 311      11.224  93.018  92.151  1.00 22.73           C  
+ATOM   2561  OE1 GLN A 311      10.528  93.332  93.119  1.00 23.10           O  
+ATOM   2562  NE2 GLN A 311      10.759  93.002  90.902  1.00 18.51           N  
+ATOM   2563  N   ILE A 312      13.454  94.598  96.460  1.00 17.04           N  
+ATOM   2564  CA  ILE A 312      14.070  94.428  97.767  1.00 12.78           C  
+ATOM   2565  C   ILE A 312      13.086  93.692  98.647  1.00 20.08           C  
+ATOM   2566  O   ILE A 312      11.866  93.917  98.572  1.00 17.47           O  
+ATOM   2567  CB  ILE A 312      14.519  95.762  98.402  1.00 12.72           C  
+ATOM   2568  CG1 ILE A 312      15.325  95.480  99.674  1.00 18.68           C  
+ATOM   2569  CG2 ILE A 312      13.302  96.666  98.693  1.00 17.90           C  
+ATOM   2570  CD1 ILE A 312      15.988  96.680 100.279  1.00 18.57           C  
+ATOM   2571  N   GLY A 313      13.598  92.773  99.448  1.00 16.26           N  
+ATOM   2572  CA  GLY A 313      12.716  91.926 100.216  1.00 18.12           C  
+ATOM   2573  C   GLY A 313      13.410  91.345 101.416  1.00 17.98           C  
+ATOM   2574  O   GLY A 313      14.591  91.601 101.656  1.00 17.75           O  
+ATOM   2575  N   VAL A 314      12.660  90.545 102.161  1.00 18.51           N  
+ATOM   2576  CA  VAL A 314      13.193  89.834 103.298  1.00 19.17           C  
+ATOM   2577  C   VAL A 314      12.900  88.360 103.090  1.00 22.22           C  
+ATOM   2578  O   VAL A 314      11.773  87.993 102.769  1.00 20.46           O  
+ATOM   2579  CB  VAL A 314      12.569  90.337 104.605  1.00 23.72           C  
+ATOM   2580  CG1 VAL A 314      13.117  89.549 105.768  1.00 21.59           C  
+ATOM   2581  CG2 VAL A 314      12.863  91.820 104.782  1.00 20.28           C  
+ATOM   2582  N   VAL A 315      13.923  87.525 103.252  1.00 18.62           N  
+ATOM   2583  CA  VAL A 315      13.827  86.100 102.959  1.00 18.25           C  
+ATOM   2584  C   VAL A 315      14.111  85.267 104.206  1.00 29.62           C  
+ATOM   2585  O   VAL A 315      15.112  85.480 104.878  1.00 21.90           O  
+ATOM   2586  CB  VAL A 315      14.849  85.702 101.840  1.00 22.19           C  
+ATOM   2587  CG1 VAL A 315      14.773  84.211 101.545  1.00 21.68           C  
+ATOM   2588  CG2 VAL A 315      14.600  86.528 100.565  1.00 21.75           C  
+ATOM   2589  N   ASN A 316      13.220  84.324 104.510  1.00 24.18           N  
+ATOM   2590  CA  ASN A 316      13.421  83.357 105.587  1.00 26.51           C  
+ATOM   2591  C   ASN A 316      14.335  82.218 105.105  1.00 22.19           C  
+ATOM   2592  O   ASN A 316      13.990  81.491 104.172  1.00 25.02           O  
+ATOM   2593  CB  ASN A 316      12.041  82.812 106.009  1.00 26.43           C  
+ATOM   2594  CG  ASN A 316      12.102  81.877 107.208  1.00 36.30           C  
+ATOM   2595  OD1 ASN A 316      13.088  81.168 107.409  1.00 31.07           O  
+ATOM   2596  ND2 ASN A 316      11.019  81.863 108.008  1.00 32.33           N  
+ATOM   2597  N   VAL A 317      15.511  82.074 105.718  1.00 26.48           N  
+ATOM   2598  CA  VAL A 317      16.482  81.098 105.225  1.00 27.56           C  
+ATOM   2599  C   VAL A 317      16.068  79.648 105.453  1.00 30.58           C  
+ATOM   2600  O   VAL A 317      16.578  78.743 104.790  1.00 29.84           O  
+ATOM   2601  CB  VAL A 317      17.903  81.316 105.803  1.00 26.11           C  
+ATOM   2602  CG1 VAL A 317      18.383  82.724 105.506  1.00 21.84           C  
+ATOM   2603  CG2 VAL A 317      17.930  81.020 107.295  1.00 31.78           C  
+ATOM   2604  N   THR A 318      15.145  79.416 106.380  1.00 27.50           N  
+ATOM   2605  CA  THR A 318      14.706  78.040 106.637  1.00 29.06           C  
+ATOM   2606  C   THR A 318      13.903  77.439 105.484  1.00 32.51           C  
+ATOM   2607  O   THR A 318      14.128  76.287 105.108  1.00 31.24           O  
+ATOM   2608  CB  THR A 318      13.870  77.938 107.924  1.00 34.90           C  
+ATOM   2609  OG1 THR A 318      14.574  78.568 108.999  1.00 29.65           O  
+ATOM   2610  CG2 THR A 318      13.595  76.472 108.262  1.00 33.92           C  
+ATOM   2611  N   ASP A 319      12.984  78.225 104.920  1.00 29.19           N  
+ATOM   2612  CA  ASP A 319      12.024  77.730 103.930  1.00 31.93           C  
+ATOM   2613  C   ASP A 319      11.893  78.606 102.682  1.00 31.00           C  
+ATOM   2614  O   ASP A 319      11.068  78.337 101.811  1.00 30.31           O  
+ATOM   2615  CB  ASP A 319      10.642  77.580 104.577  1.00 37.00           C  
+ATOM   2616  CG  ASP A 319      10.085  78.903 105.096  1.00 42.74           C  
+ATOM   2617  OD1 ASP A 319      10.772  79.946 105.002  1.00 34.33           O  
+ATOM   2618  OD2 ASP A 319       8.956  78.891 105.624  1.00 36.80           O  
+ATOM   2619  N   ALA A 320      12.693  79.661 102.605  1.00 28.10           N  
+ATOM   2620  CA  ALA A 320      12.663  80.550 101.444  1.00 26.05           C  
+ATOM   2621  C   ALA A 320      11.384  81.371 101.357  1.00 23.78           C  
+ATOM   2622  O   ALA A 320      11.107  81.963 100.317  1.00 26.05           O  
+ATOM   2623  CB  ALA A 320      12.871  79.763 100.146  1.00 24.28           C  
+ATOM   2624  N   ASP A 321      10.591  81.381 102.425  1.00 25.29           N  
+ATOM   2625  CA  ASP A 321       9.438  82.276 102.494  1.00 27.76           C  
+ATOM   2626  C   ASP A 321       9.989  83.696 102.435  1.00 29.70           C  
+ATOM   2627  O   ASP A 321      11.113  83.934 102.866  1.00 25.23           O  
+ATOM   2628  CB  ASP A 321       8.668  82.083 103.800  1.00 28.40           C  
+ATOM   2629  CG  ASP A 321       7.289  82.743 103.770  1.00 33.63           C  
+ATOM   2630  OD1 ASP A 321       6.786  83.050 102.664  1.00 32.53           O  
+ATOM   2631  OD2 ASP A 321       6.715  82.961 104.854  1.00 40.79           O  
+ATOM   2632  N   SER A 322       9.214  84.635 101.906  1.00 27.17           N  
+ATOM   2633  CA  SER A 322       9.748  85.973 101.656  1.00 23.66           C  
+ATOM   2634  C   SER A 322       8.646  86.997 101.481  1.00 26.56           C  
+ATOM   2635  O   SER A 322       7.505  86.653 101.190  1.00 24.72           O  
+ATOM   2636  CB  SER A 322      10.606  85.978 100.384  1.00 22.04           C  
+ATOM   2637  OG  SER A 322       9.820  85.748  99.220  1.00 21.19           O  
+ATOM   2638  N   VAL A 323       9.006  88.264 101.628  1.00 19.45           N  
+ATOM   2639  CA  VAL A 323       8.087  89.354 101.318  1.00 20.26           C  
+ATOM   2640  C   VAL A 323       8.887  90.405 100.569  1.00 23.00           C  
+ATOM   2641  O   VAL A 323      10.065  90.646 100.895  1.00 20.07           O  
+ATOM   2642  CB  VAL A 323       7.454  89.958 102.591  1.00 21.37           C  
+ATOM   2643  CG1 VAL A 323       8.529  90.440 103.537  1.00 22.64           C  
+ATOM   2644  CG2 VAL A 323       6.534  91.108 102.234  1.00 26.00           C  
+ATOM   2645  N   TRP A 324       8.259  91.013  99.567  1.00 16.06           N  
+ATOM   2646  CA  TRP A 324       8.945  91.931  98.664  1.00 20.78           C  
+ATOM   2647  C   TRP A 324       8.226  93.255  98.595  1.00 19.24           C  
+ATOM   2648  O   TRP A 324       6.997  93.301  98.583  1.00 21.39           O  
+ATOM   2649  CB  TRP A 324       9.099  91.310  97.262  1.00 19.33           C  
+ATOM   2650  CG  TRP A 324       9.910  90.092  97.359  1.00 23.10           C  
+ATOM   2651  CD1 TRP A 324       9.467  88.832  97.629  1.00 21.89           C  
+ATOM   2652  CD2 TRP A 324      11.338  90.011  97.277  1.00 18.10           C  
+ATOM   2653  NE1 TRP A 324      10.527  87.968  97.697  1.00 20.89           N  
+ATOM   2654  CE2 TRP A 324      11.688  88.668  97.495  1.00 20.02           C  
+ATOM   2655  CE3 TRP A 324      12.350  90.943  97.037  1.00 16.83           C  
+ATOM   2656  CZ2 TRP A 324      13.008  88.232  97.479  1.00 20.16           C  
+ATOM   2657  CZ3 TRP A 324      13.666  90.502  97.013  1.00 19.68           C  
+ATOM   2658  CH2 TRP A 324      13.984  89.164  97.246  1.00 17.54           C  
+ATOM   2659  N   MET A 325       9.000  94.331  98.541  1.00 16.05           N  
+ATOM   2660  CA  MET A 325       8.449  95.678  98.542  1.00 19.05           C  
+ATOM   2661  C   MET A 325       7.783  96.003  97.207  1.00 25.17           C  
+ATOM   2662  O   MET A 325       8.380  95.836  96.138  1.00 21.34           O  
+ATOM   2663  CB  MET A 325       9.548  96.695  98.829  1.00 18.34           C  
+ATOM   2664  CG  MET A 325       9.035  98.104  99.033  1.00 22.26           C  
+ATOM   2665  SD  MET A 325      10.388  99.262  99.277  1.00 24.74           S  
+ATOM   2666  CE  MET A 325       9.443 100.761  99.570  1.00 24.90           C  
+ATOM   2667  N   GLU A 326       6.540  96.468  97.270  1.00 19.08           N  
+ATOM   2668  CA  GLU A 326       5.855  96.903  96.059  1.00 21.93           C  
+ATOM   2669  C   GLU A 326       6.440  98.220  95.561  1.00 24.05           C  
+ATOM   2670  O   GLU A 326       6.484  99.212  96.288  1.00 25.48           O  
+ATOM   2671  CB  GLU A 326       4.357  97.070  96.329  1.00 29.84           C  
+ATOM   2672  CG  GLU A 326       3.616  97.738  95.187  1.00 31.63           C  
+ATOM   2673  CD  GLU A 326       3.663  96.918  93.911  1.00 39.36           C  
+ATOM   2674  OE1 GLU A 326       3.776  95.675  94.004  1.00 44.61           O  
+ATOM   2675  OE2 GLU A 326       3.596  97.522  92.817  1.00 50.57           O  
+ATOM   2676  N   MET A 327       6.906  98.215  94.321  1.00 23.67           N  
+ATOM   2677  CA  MET A 327       7.396  99.423  93.674  1.00 30.43           C  
+ATOM   2678  C   MET A 327       6.759  99.572  92.292  1.00 38.53           C  
+ATOM   2679  O   MET A 327       6.841  98.678  91.447  1.00 46.30           O  
+ATOM   2680  CB  MET A 327       8.919  99.393  93.558  1.00 34.21           C  
+ATOM   2681  CG  MET A 327       9.641  99.355  94.892  1.00 28.10           C  
+ATOM   2682  SD  MET A 327      11.451  99.403  94.714  1.00 36.88           S  
+ATOM   2683  CE  MET A 327      11.860  97.686  94.468  1.00 30.23           C  
+ATOM   2684  N   ASP A 328       6.113 100.708  92.081  1.00 37.86           N  
+ATOM   2685  CA  ASP A 328       5.442 101.016  90.830  1.00 34.80           C  
+ATOM   2686  C   ASP A 328       6.460 101.531  89.824  1.00 35.06           C  
+ATOM   2687  O   ASP A 328       7.059 102.580  90.034  1.00 35.99           O  
+ATOM   2688  CB  ASP A 328       4.391 102.092  91.097  1.00 44.31           C  
+ATOM   2689  CG  ASP A 328       3.643 102.504  89.851  1.00 58.16           C  
+ATOM   2690  OD1 ASP A 328       2.880 103.492  89.931  1.00 61.91           O  
+ATOM   2691  OD2 ASP A 328       3.824 101.850  88.799  1.00 55.56           O  
+ATOM   2692  N   ASP A 329       6.656 100.806  88.727  1.00 38.54           N  
+ATOM   2693  CA  ASP A 329       7.718 101.174  87.790  1.00 50.11           C  
+ATOM   2694  C   ASP A 329       7.353 102.355  86.894  1.00 57.16           C  
+ATOM   2695  O   ASP A 329       8.152 102.761  86.048  1.00 51.24           O  
+ATOM   2696  CB  ASP A 329       8.174  99.977  86.952  1.00 55.60           C  
+ATOM   2697  CG  ASP A 329       7.073  99.421  86.090  1.00 67.53           C  
+ATOM   2698  OD1 ASP A 329       6.342  98.524  86.568  1.00 76.67           O  
+ATOM   2699  OD2 ASP A 329       6.938  99.883  84.938  1.00 66.81           O  
+ATOM   2700  N   GLU A 330       6.152 102.904  87.083  1.00 39.16           N  
+ATOM   2701  CA  GLU A 330       5.765 104.130  86.389  1.00 48.62           C  
+ATOM   2702  C   GLU A 330       6.063 105.358  87.238  1.00 54.74           C  
+ATOM   2703  O   GLU A 330       5.796 106.487  86.828  1.00 56.31           O  
+ATOM   2704  CB  GLU A 330       4.287 104.109  86.000  1.00 50.03           C  
+ATOM   2705  CG  GLU A 330       3.950 103.124  84.887  1.00 52.01           C  
+ATOM   2706  CD  GLU A 330       2.488 103.186  84.477  1.00 70.81           C  
+ATOM   2707  OE1 GLU A 330       1.679 103.774  85.230  1.00 70.48           O  
+ATOM   2708  OE2 GLU A 330       2.150 102.652  83.400  1.00 67.56           O  
+ATOM   2709  N   GLU A 331       6.610 105.139  88.429  1.00 47.08           N  
+ATOM   2710  CA  GLU A 331       7.074 106.255  89.242  1.00 46.92           C  
+ATOM   2711  C   GLU A 331       8.537 106.078  89.660  1.00 48.77           C  
+ATOM   2712  O   GLU A 331       9.146 105.039  89.390  1.00 43.74           O  
+ATOM   2713  CB  GLU A 331       6.153 106.502  90.441  1.00 48.36           C  
+ATOM   2714  CG  GLU A 331       5.997 105.343  91.414  1.00 55.20           C  
+ATOM   2715  CD  GLU A 331       5.040 105.682  92.556  1.00 69.93           C  
+ATOM   2716  OE1 GLU A 331       5.103 105.025  93.623  1.00 63.33           O  
+ATOM   2717  OE2 GLU A 331       4.224 106.617  92.383  1.00 71.61           O  
+ATOM   2718  N   ASP A 332       9.104 107.102  90.293  1.00 39.37           N  
+ATOM   2719  CA  ASP A 332      10.503 107.047  90.701  1.00 45.61           C  
+ATOM   2720  C   ASP A 332      10.706 105.922  91.702  1.00 38.14           C  
+ATOM   2721  O   ASP A 332       9.780 105.551  92.412  1.00 30.67           O  
+ATOM   2722  CB  ASP A 332      10.936 108.376  91.322  1.00 45.05           C  
+ATOM   2723  CG  ASP A 332      10.774 109.544  90.367  1.00 59.30           C  
+ATOM   2724  OD1 ASP A 332      10.603 109.298  89.153  1.00 58.76           O  
+ATOM   2725  OD2 ASP A 332      10.824 110.704  90.830  1.00 55.07           O  
+ATOM   2726  N   LEU A 333      11.922 105.389  91.769  1.00 30.40           N  
+ATOM   2727  CA  LEU A 333      12.240 104.385  92.770  1.00 27.08           C  
+ATOM   2728  C   LEU A 333      12.108 104.983  94.174  1.00 25.49           C  
+ATOM   2729  O   LEU A 333      12.298 106.182  94.359  1.00 29.35           O  
+ATOM   2730  CB  LEU A 333      13.662 103.860  92.531  1.00 25.95           C  
+ATOM   2731  CG  LEU A 333      13.771 102.983  91.278  1.00 29.36           C  
+ATOM   2732  CD1 LEU A 333      15.226 102.717  90.885  1.00 32.06           C  
+ATOM   2733  CD2 LEU A 333      13.029 101.675  91.513  1.00 28.53           C  
+ATOM   2734  N   PRO A 334      11.788 104.147  95.172  1.00 23.33           N  
+ATOM   2735  CA  PRO A 334      11.682 104.657  96.543  1.00 27.03           C  
+ATOM   2736  C   PRO A 334      12.997 105.302  96.972  1.00 28.14           C  
+ATOM   2737  O   PRO A 334      14.059 104.861  96.540  1.00 25.71           O  
+ATOM   2738  CB  PRO A 334      11.413 103.397  97.371  1.00 33.92           C  
+ATOM   2739  CG  PRO A 334      10.867 102.404  96.404  1.00 38.93           C  
+ATOM   2740  CD  PRO A 334      11.534 102.701  95.091  1.00 29.43           C  
+ATOM   2741  N   SER A 335      12.918 106.336  97.799  1.00 29.63           N  
+ATOM   2742  CA  SER A 335      14.105 106.997  98.314  1.00 28.84           C  
+ATOM   2743  C   SER A 335      14.691 106.097  99.382  1.00 25.99           C  
+ATOM   2744  O   SER A 335      14.049 105.134  99.805  1.00 22.35           O  
+ATOM   2745  CB  SER A 335      13.738 108.356  98.920  1.00 30.80           C  
+ATOM   2746  OG  SER A 335      13.000 108.173 100.113  1.00 28.76           O  
+ATOM   2747  N   ALA A 336      15.915 106.392  99.811  1.00 27.73           N  
+ATOM   2748  CA  ALA A 336      16.544 105.620 100.867  1.00 22.14           C  
+ATOM   2749  C   ALA A 336      15.690 105.619 102.132  1.00 23.28           C  
+ATOM   2750  O   ALA A 336      15.579 104.605 102.825  1.00 20.96           O  
+ATOM   2751  CB  ALA A 336      17.946 106.180 101.172  1.00 23.89           C  
+ATOM   2752  N   GLU A 337      15.089 106.762 102.438  1.00 26.90           N  
+ATOM   2753  CA  GLU A 337      14.220 106.868 103.612  1.00 28.42           C  
+ATOM   2754  C   GLU A 337      12.990 105.946 103.522  1.00 25.76           C  
+ATOM   2755  O   GLU A 337      12.564 105.331 104.508  1.00 22.98           O  
+ATOM   2756  CB  GLU A 337      13.798 108.328 103.812  1.00 31.62           C  
+ATOM   2757  CG  GLU A 337      14.945 109.267 104.216  1.00 37.30           C  
+ATOM   2758  CD  GLU A 337      15.845 109.737 103.050  1.00 36.70           C  
+ATOM   2759  OE1 GLU A 337      15.610 109.370 101.874  1.00 31.38           O  
+ATOM   2760  OE2 GLU A 337      16.798 110.506 103.324  1.00 48.03           O  
+ATOM   2761  N   GLU A 338      12.425 105.844 102.332  1.00 22.13           N  
+ATOM   2762  CA  GLU A 338      11.297 104.941 102.120  1.00 25.24           C  
+ATOM   2763  C   GLU A 338      11.687 103.465 102.257  1.00 21.98           C  
+ATOM   2764  O   GLU A 338      10.945 102.660 102.856  1.00 20.33           O  
+ATOM   2765  CB  GLU A 338      10.714 105.172 100.739  1.00 25.17           C  
+ATOM   2766  CG  GLU A 338      10.157 106.554 100.494  1.00 36.25           C  
+ATOM   2767  CD  GLU A 338       9.855 106.745  99.023  1.00 34.74           C  
+ATOM   2768  OE1 GLU A 338      10.455 107.637  98.391  1.00 42.16           O  
+ATOM   2769  OE2 GLU A 338       9.045 105.963  98.490  1.00 43.70           O  
+ATOM   2770  N   LEU A 339      12.844 103.099 101.692  1.00 18.84           N  
+ATOM   2771  CA  LEU A 339      13.365 101.737 101.870  1.00 22.54           C  
+ATOM   2772  C   LEU A 339      13.562 101.418 103.345  1.00 19.80           C  
+ATOM   2773  O   LEU A 339      13.170 100.354 103.821  1.00 18.99           O  
+ATOM   2774  CB  LEU A 339      14.699 101.522 101.123  1.00 20.29           C  
+ATOM   2775  CG  LEU A 339      14.696 101.636  99.599  1.00 27.18           C  
+ATOM   2776  CD1 LEU A 339      15.948 100.956  99.042  1.00 24.20           C  
+ATOM   2777  CD2 LEU A 339      13.441 101.006  99.006  1.00 25.10           C  
+ATOM   2778  N   GLU A 340      14.173 102.339 104.080  1.00 22.37           N  
+ATOM   2779  CA  GLU A 340      14.417 102.079 105.490  1.00 22.14           C  
+ATOM   2780  C   GLU A 340      13.096 101.932 106.244  1.00 20.17           C  
+ATOM   2781  O   GLU A 340      12.946 101.047 107.074  1.00 21.39           O  
+ATOM   2782  CB  GLU A 340      15.268 103.180 106.101  1.00 22.51           C  
+ATOM   2783  CG  GLU A 340      16.649 103.253 105.464  1.00 25.17           C  
+ATOM   2784  CD  GLU A 340      17.538 104.309 106.083  1.00 42.41           C  
+ATOM   2785  OE1 GLU A 340      18.189 105.036 105.304  1.00 34.80           O  
+ATOM   2786  OE2 GLU A 340      17.604 104.385 107.335  1.00 41.26           O  
+ATOM   2787  N   ASP A 341      12.155 102.811 105.928  1.00 25.93           N  
+ATOM   2788  CA  ASP A 341      10.814 102.793 106.514  1.00 20.19           C  
+ATOM   2789  C   ASP A 341      10.136 101.450 106.245  1.00 21.56           C  
+ATOM   2790  O   ASP A 341       9.507 100.860 107.127  1.00 25.19           O  
+ATOM   2791  CB  ASP A 341      10.026 103.916 105.851  1.00 22.87           C  
+ATOM   2792  CG  ASP A 341       8.773 104.288 106.605  1.00 46.56           C  
+ATOM   2793  OD1 ASP A 341       8.865 104.600 107.815  1.00 43.47           O  
+ATOM   2794  OD2 ASP A 341       7.693 104.281 105.967  1.00 40.22           O  
+ATOM   2795  N   TRP A 342      10.240 100.977 105.006  1.00 21.59           N  
+ATOM   2796  CA  TRP A 342       9.646  99.697 104.648  1.00 22.64           C  
+ATOM   2797  C   TRP A 342      10.306  98.561 105.415  1.00 25.81           C  
+ATOM   2798  O   TRP A 342       9.631  97.687 105.956  1.00 20.09           O  
+ATOM   2799  CB  TRP A 342       9.708  99.455 103.130  1.00 21.00           C  
+ATOM   2800  CG  TRP A 342       8.962  98.221 102.736  1.00 20.53           C  
+ATOM   2801  CD1 TRP A 342       7.610  98.110 102.554  1.00 23.71           C  
+ATOM   2802  CD2 TRP A 342       9.509  96.913 102.490  1.00 17.73           C  
+ATOM   2803  NE1 TRP A 342       7.284  96.818 102.211  1.00 22.96           N  
+ATOM   2804  CE2 TRP A 342       8.428  96.063 102.164  1.00 17.52           C  
+ATOM   2805  CE3 TRP A 342      10.806  96.379 102.513  1.00 18.49           C  
+ATOM   2806  CZ2 TRP A 342       8.601  94.708 101.869  1.00 24.22           C  
+ATOM   2807  CZ3 TRP A 342      10.975  95.041 102.216  1.00 20.71           C  
+ATOM   2808  CH2 TRP A 342       9.880  94.215 101.902  1.00 24.03           C  
+ATOM   2809  N   LEU A 343      11.637  98.566 105.474  1.00 20.45           N  
+ATOM   2810  CA  LEU A 343      12.329  97.529 106.209  1.00 20.56           C  
+ATOM   2811  C   LEU A 343      11.887  97.526 107.679  1.00 21.28           C  
+ATOM   2812  O   LEU A 343      11.636  96.471 108.253  1.00 24.40           O  
+ATOM   2813  CB  LEU A 343      13.852  97.696 106.078  1.00 16.65           C  
+ATOM   2814  CG  LEU A 343      14.406  97.381 104.674  1.00 24.57           C  
+ATOM   2815  CD1 LEU A 343      15.911  97.715 104.582  1.00 23.20           C  
+ATOM   2816  CD2 LEU A 343      14.161  95.908 104.280  1.00 18.10           C  
+ATOM   2817  N   GLU A 344      11.780  98.712 108.273  1.00 23.42           N  
+ATOM   2818  CA  GLU A 344      11.309  98.825 109.654  1.00 24.53           C  
+ATOM   2819  C   GLU A 344       9.933  98.189 109.827  1.00 23.22           C  
+ATOM   2820  O   GLU A 344       9.710  97.391 110.749  1.00 28.68           O  
+ATOM   2821  CB  GLU A 344      11.282 100.296 110.102  1.00 26.83           C  
+ATOM   2822  CG  GLU A 344      12.661 100.900 110.342  1.00 29.39           C  
+ATOM   2823  CD  GLU A 344      12.609 102.375 110.746  1.00 49.20           C  
+ATOM   2824  OE1 GLU A 344      11.534 102.848 111.176  1.00 50.78           O  
+ATOM   2825  OE2 GLU A 344      13.652 103.059 110.630  1.00 60.26           O  
+ATOM   2826  N   ASP A 345       9.018  98.541 108.931  1.00 27.96           N  
+ATOM   2827  CA  ASP A 345       7.655  98.009 108.964  1.00 24.00           C  
+ATOM   2828  C   ASP A 345       7.651  96.498 108.919  1.00 27.12           C  
+ATOM   2829  O   ASP A 345       6.934  95.840 109.668  1.00 27.03           O  
+ATOM   2830  CB  ASP A 345       6.866  98.507 107.755  1.00 24.57           C  
+ATOM   2831  CG  ASP A 345       6.460  99.960 107.877  1.00 32.79           C  
+ATOM   2832  OD1 ASP A 345       6.626 100.534 108.980  1.00 26.96           O  
+ATOM   2833  OD2 ASP A 345       5.974 100.511 106.861  1.00 29.21           O  
+ATOM   2834  N   VAL A 346       8.422  95.934 108.001  1.00 21.87           N  
+ATOM   2835  CA  VAL A 346       8.410  94.489 107.832  1.00 19.26           C  
+ATOM   2836  C   VAL A 346       9.093  93.780 109.005  1.00 26.21           C  
+ATOM   2837  O   VAL A 346       8.608  92.762 109.495  1.00 26.81           O  
+ATOM   2838  CB  VAL A 346       9.117  94.072 106.516  1.00 28.32           C  
+ATOM   2839  CG1 VAL A 346       9.430  92.572 106.522  1.00 29.87           C  
+ATOM   2840  CG2 VAL A 346       8.255  94.448 105.327  1.00 31.03           C  
+ATOM   2841  N   LEU A 347      10.224  94.312 109.452  1.00 26.54           N  
+ATOM   2842  CA  LEU A 347      11.022  93.597 110.448  1.00 30.00           C  
+ATOM   2843  C   LEU A 347      10.518  93.762 111.887  1.00 42.74           C  
+ATOM   2844  O   LEU A 347      10.876  92.972 112.764  1.00 43.13           O  
+ATOM   2845  CB  LEU A 347      12.500  93.980 110.343  1.00 30.64           C  
+ATOM   2846  CG  LEU A 347      13.151  93.584 109.012  1.00 35.29           C  
+ATOM   2847  CD1 LEU A 347      14.628  93.867 109.021  1.00 42.88           C  
+ATOM   2848  CD2 LEU A 347      12.890  92.120 108.734  1.00 40.37           C  
+ATOM   2849  N   GLU A 348       9.691  94.778 112.128  1.00 41.22           N  
+ATOM   2850  CA  GLU A 348       9.082  94.962 113.446  1.00 53.49           C  
+ATOM   2851  C   GLU A 348       7.914  93.994 113.660  1.00 56.15           C  
+ATOM   2852  O   GLU A 348       7.765  93.418 114.742  1.00 60.80           O  
+ATOM   2853  CB  GLU A 348       8.609  96.406 113.646  1.00 49.50           C  
+ATOM   2854  CG  GLU A 348       7.244  96.710 113.042  0.77 45.95           C  
+ATOM   2855  CD  GLU A 348       6.668  98.024 113.532  0.00 48.81           C  
+ATOM   2856  OE1 GLU A 348       7.288  98.648 114.419  1.00 64.90           O  
+ATOM   2857  OE2 GLU A 348       5.596  98.430 113.033  1.00 45.80           O  
+ATOM   2858  N   GLY A 349       7.099  93.817 112.620  0.77 52.21           N  
+ATOM   2859  CA  GLY A 349       5.922  92.966 112.685  0.77 56.23           C  
+ATOM   2860  C   GLY A 349       6.255  91.498 112.874  0.77 65.30           C  
+ATOM   2861  O   GLY A 349       5.722  90.840 113.772  0.77 68.03           O  
+ATOM   2862  N   GLU A 350       7.137  90.981 112.023  0.40 58.26           N  
+ATOM   2863  CA  GLU A 350       7.573  89.592 112.119  0.85 60.72           C  
+ATOM   2864  C   GLU A 350       8.880  89.487 112.898  0.49 60.99           C  
+ATOM   2865  O   GLU A 350       9.210  90.364 113.699  0.83 61.21           O  
+ATOM   2866  CB  GLU A 350       7.736  88.979 110.726  1.00 69.58           C  
+TER    2867      GLU A 350                                                      
+HETATM 2868  C1  NAG B   1      11.023  80.768 108.893  1.00 35.29           C  
+HETATM 2869  C2  NAG B   1      10.445  81.296 110.205  1.00 46.42           C  
+HETATM 2870  C3  NAG B   1      10.288  80.207 111.260  1.00 54.67           C  
+HETATM 2871  C4  NAG B   1       9.588  78.984 110.690  1.00 56.99           C  
+HETATM 2872  C5  NAG B   1      10.074  78.590 109.296  1.00 49.18           C  
+HETATM 2873  C6  NAG B   1       9.056  77.616 108.699  1.00 53.03           C  
+HETATM 2874  C7  NAG B   1      10.737  83.585 110.865  1.00 43.85           C  
+HETATM 2875  C8  NAG B   1       9.285  83.744 110.513  1.00 49.30           C  
+HETATM 2876  N2  NAG B   1      11.255  82.366 110.745  1.00 40.98           N  
+HETATM 2877  O3  NAG B   1       9.526  80.716 112.333  1.00 50.80           O  
+HETATM 2878  O4  NAG B   1       9.824  77.899 111.564  1.00 74.11           O  
+HETATM 2879  O5  NAG B   1      10.217  79.699 108.422  1.00 42.36           O  
+HETATM 2880  O6  NAG B   1       9.620  76.866 107.647  1.00 54.21           O  
+HETATM 2881  O7  NAG B   1      11.394  84.550 111.246  1.00 48.61           O  
+HETATM 2882  C1  NAG B   2       8.594  77.396 112.126  1.00 71.83           C  
+HETATM 2883  C2  NAG B   2       8.906  76.085 112.848  1.00 70.27           C  
+HETATM 2884  C3  NAG B   2       7.685  75.525 113.567  1.00 87.29           C  
+HETATM 2885  C4  NAG B   2       7.025  76.612 114.405  1.00 91.87           C  
+HETATM 2886  C5  NAG B   2       6.757  77.841 113.539  1.00 83.99           C  
+HETATM 2887  C6  NAG B   2       6.095  78.960 114.334  1.00 86.69           C  
+HETATM 2888  C7  NAG B   2      10.728  74.901 111.749  1.00 71.74           C  
+HETATM 2889  C8  NAG B   2      11.659  75.665 112.648  1.00 72.16           C  
+HETATM 2890  N2  NAG B   2       9.420  75.111 111.906  1.00 68.13           N  
+HETATM 2891  O3  NAG B   2       8.064  74.443 114.394  1.00 92.07           O  
+HETATM 2892  O4  NAG B   2       5.821  76.121 114.957  1.00 94.37           O  
+HETATM 2893  O5  NAG B   2       7.968  78.320 112.991  1.00 73.71           O  
+HETATM 2894  O6  NAG B   2       5.854  80.056 113.478  1.00 87.62           O  
+HETATM 2895  O7  NAG B   2      11.181  74.124 110.907  1.00 68.26           O  
+HETATM 2896  C1  MPD A 403      19.206  79.453  99.259  1.00 28.29           C  
+HETATM 2897  C2  MPD A 403      17.903  79.909  98.613  1.00 31.08           C  
+HETATM 2898  O2  MPD A 403      17.777  79.337  97.289  1.00 28.09           O  
+HETATM 2899  CM  MPD A 403      16.742  79.400  99.462  1.00 37.07           C  
+HETATM 2900  C3  MPD A 403      17.826  81.422  98.476  1.00 30.99           C  
+HETATM 2901  C4  MPD A 403      18.914  81.991  97.564  1.00 29.40           C  
+HETATM 2902  O4  MPD A 403      18.836  81.451  96.261  1.00 27.74           O  
+HETATM 2903  C5  MPD A 403      18.782  83.499  97.473  1.00 33.12           C  
+HETATM 2904  C1  MPD A 404      16.177 100.622 110.957  1.00 39.73           C  
+HETATM 2905  C2  MPD A 404      16.621  99.633 109.885  1.00 47.56           C  
+HETATM 2906  O2  MPD A 404      15.518  98.756 109.554  1.00 54.65           O  
+HETATM 2907  CM  MPD A 404      17.018 100.381 108.616  1.00 46.62           C  
+HETATM 2908  C3  MPD A 404      17.789  98.789 110.385  1.00 54.82           C  
+HETATM 2909  C4  MPD A 404      17.348  97.625 111.271  1.00 59.81           C  
+HETATM 2910  O4  MPD A 404      16.005  97.784 111.668  1.00 65.08           O  
+HETATM 2911  C5  MPD A 404      17.497  96.286 110.558  1.00 48.49           C  
+HETATM 2912  C1  MRD A 405      23.210  75.558  88.295  1.00 28.06           C  
+HETATM 2913  C2  MRD A 405      22.770  75.360  89.735  1.00 30.35           C  
+HETATM 2914  O2  MRD A 405      22.288  76.635  90.222  1.00 30.56           O  
+HETATM 2915  CM  MRD A 405      23.962  74.922  90.573  1.00 30.81           C  
+HETATM 2916  C3  MRD A 405      21.661  74.321  89.893  1.00 26.27           C  
+HETATM 2917  C4  MRD A 405      20.444  74.503  88.989  1.00 34.87           C  
+HETATM 2918  O4  MRD A 405      19.753  75.704  89.260  1.00 26.04           O  
+HETATM 2919  C5  MRD A 405      19.481  73.336  89.207  1.00 31.79           C  
+HETATM 2920 CA    CA A 406      41.108  59.590  96.329  0.63 35.80          CA2+
+HETATM 2921 CA    CA A 407      29.052  98.991 108.247  0.52 23.76          CA2+
+HETATM 2922 CA    CA A 408      44.162 109.024 106.784  0.57 36.83          CA2+
+HETATM 2923 CA    CA A 409      49.982  97.775 117.479  0.55 29.96          CA2+
+HETATM 2924 NA    NA A 410      39.774  88.282  95.308  1.00 32.90          NA1+
+HETATM 2925 NA    NA A 411      14.880  80.847 109.829  1.00 43.66          NA1+
+HETATM 2926  O   HOH A 501      38.726  59.371  95.416  1.00 35.12           O  
+HETATM 2927  O   HOH A 502      28.591  98.260 103.454  1.00 17.86           O  
+HETATM 2928  O   HOH A 503      27.052  93.759  88.751  1.00 18.06           O  
+HETATM 2929  O   HOH A 504      10.687  94.482  95.572  1.00 16.87           O  
+HETATM 2930  O   HOH A 505      57.481 100.675 107.743  1.00 19.86           O  
+HETATM 2931  O   HOH A 506      46.855 101.306 111.313  1.00 18.92           O  
+HETATM 2932  O   HOH A 507      24.563  94.172  85.564  1.00 21.92           O  
+HETATM 2933  O   HOH A 508      29.285  86.567  98.153  1.00 17.11           O  
+HETATM 2934  O   HOH A 509      63.837  96.921  99.628  1.00 19.73           O  
+HETATM 2935  O   HOH A 510      51.481  96.140 109.799  1.00 17.31           O  
+HETATM 2936  O   HOH A 511      40.765  67.068  82.248  1.00 20.81           O  
+HETATM 2937  O   HOH A 512      16.496  92.976  89.189  1.00 19.59           O  
+HETATM 2938  O   HOH A 513      23.916  80.910  87.552  1.00 21.18           O  
+HETATM 2939  O   HOH A 514      43.054  94.990 115.990  1.00 21.84           O  
+HETATM 2940  O   HOH A 515      44.145  76.660  79.090  1.00 21.64           O  
+HETATM 2941  O   HOH A 516      51.572  98.697 110.942  1.00 19.33           O  
+HETATM 2942  O   HOH A 517      25.601  89.471  92.322  1.00 16.23           O  
+HETATM 2943  O   HOH A 518      30.822  74.454  84.925  1.00 16.41           O  
+HETATM 2944  O   HOH A 519       5.747  89.804  98.482  1.00 21.34           O  
+HETATM 2945  O   HOH A 520      44.761 106.898 107.622  1.00 26.15           O  
+HETATM 2946  O   HOH A 521      17.410  95.615  88.383  1.00 19.46           O  
+HETATM 2947  O   HOH A 522      46.513 103.478 114.230  1.00 21.77           O  
+HETATM 2948  O   HOH A 523      60.957  97.418  98.919  1.00 19.39           O  
+HETATM 2949  O   HOH A 524      38.515  64.166  81.688  1.00 22.32           O  
+HETATM 2950  O   HOH A 525      33.088  95.266 106.136  1.00 23.43           O  
+HETATM 2951  O   HOH A 526      16.692  78.730  87.975  1.00 21.57           O  
+HETATM 2952  O   HOH A 527      34.138  97.221  92.919  1.00 21.33           O  
+HETATM 2953  O   HOH A 528      53.182  90.422 113.631  1.00 19.84           O  
+HETATM 2954  O   HOH A 529      40.920  85.351  87.981  1.00 26.56           O  
+HETATM 2955  O   HOH A 530      36.988  60.728 105.951  1.00 33.33           O  
+HETATM 2956  O   HOH A 531      31.559  76.914  83.916  1.00 24.69           O  
+HETATM 2957  O   HOH A 532      54.000  95.122 113.241  1.00 21.98           O  
+HETATM 2958  O   HOH A 533      24.722 106.383  96.855  1.00 26.15           O  
+HETATM 2959  O   HOH A 534      43.358 105.458 102.606  1.00 25.66           O  
+HETATM 2960  O   HOH A 535      46.180  89.242  95.715  1.00 26.01           O  
+HETATM 2961  O   HOH A 536      59.768  95.894  96.832  1.00 31.86           O  
+HETATM 2962  O   HOH A 537      16.068  96.849  86.459  1.00 24.33           O  
+HETATM 2963  O   HOH A 538      46.898  76.822  82.209  1.00 26.42           O  
+HETATM 2964  O   HOH A 539      33.358  73.547  98.473  1.00 26.76           O  
+HETATM 2965  O   HOH A 540      20.643  86.513  84.255  1.00 25.83           O  
+HETATM 2966  O   HOH A 541      34.756 101.195  99.093  1.00 27.96           O  
+HETATM 2967  O   HOH A 542      61.235  97.380 110.153  1.00 26.56           O  
+HETATM 2968  O   HOH A 543      44.577  97.203 116.517  1.00 31.40           O  
+HETATM 2969  O   HOH A 544      32.218  98.233  91.064  1.00 27.37           O  
+HETATM 2970  O   HOH A 545      39.452 105.773 111.533  1.00 25.92           O  
+HETATM 2971  O   HOH A 546      25.934  96.682 109.378  1.00 25.98           O  
+HETATM 2972  O   HOH A 547      38.485 104.148  97.718  1.00 29.69           O  
+HETATM 2973  O   HOH A 548      35.968  98.852  99.723  1.00 20.81           O  
+HETATM 2974  O   HOH A 549       9.116  83.061  98.922  1.00 23.47           O  
+HETATM 2975  O   HOH A 550      29.960  95.104  91.597  1.00 18.04           O  
+HETATM 2976  O   HOH A 551      26.912  62.430  94.807  1.00 26.24           O  
+HETATM 2977  O   HOH A 552      32.857  97.000 108.528  1.00 26.25           O  
+HETATM 2978  O   HOH A 553      34.611  80.521  99.003  1.00 28.25           O  
+HETATM 2979  O   HOH A 554      29.568  97.766  91.707  1.00 26.61           O  
+HETATM 2980  O   HOH A 555      26.496  67.711  90.553  1.00 24.64           O  
+HETATM 2981  O   HOH A 556      55.093 101.592  96.417  1.00 28.78           O  
+HETATM 2982  O   HOH A 557       7.733  91.941  90.321  1.00 25.57           O  
+HETATM 2983  O   HOH A 558      24.040  78.829  89.395  1.00 29.85           O  
+HETATM 2984  O   HOH A 559      20.023 107.769  97.490  1.00 33.24           O  
+HETATM 2985  O   HOH A 560      10.424  81.184  86.690  1.00 25.15           O  
+HETATM 2986  O   HOH A 561      36.511  76.934  73.571  1.00 32.01           O  
+HETATM 2987  O   HOH A 562      25.367  84.417 110.905  1.00 37.42           O  
+HETATM 2988  O   HOH A 563      54.234 106.360 111.744  1.00 33.77           O  
+HETATM 2989  O   HOH A 564      46.949  84.063  88.165  1.00 24.82           O  
+HETATM 2990  O   HOH A 565      30.820  89.748  98.770  1.00 26.04           O  
+HETATM 2991  O   HOH A 566      61.465  99.886 108.579  1.00 27.81           O  
+HETATM 2992  O   HOH A 567      28.034  70.467  92.961  1.00 30.89           O  
+HETATM 2993  O   HOH A 568      62.650  98.731 106.378  1.00 25.50           O  
+HETATM 2994  O   HOH A 569      49.445 103.849 117.775  1.00 31.12           O  
+HETATM 2995  O   HOH A 570      34.498  71.651  75.217  1.00 31.37           O  
+HETATM 2996  O   HOH A 571      29.974  75.236  99.920  1.00 29.80           O  
+HETATM 2997  O   HOH A 572      30.223  88.380 104.266  1.00 31.17           O  
+HETATM 2998  O   HOH A 573      39.241  98.912  90.145  1.00 29.40           O  
+HETATM 2999  O   HOH A 574      30.608  95.481  88.972  1.00 23.89           O  
+HETATM 3000  O   HOH A 575      34.456  68.453  73.923  1.00 25.81           O  
+HETATM 3001  O   HOH A 576      32.615  96.932  88.942  1.00 33.04           O  
+HETATM 3002  O   HOH A 577      35.125  74.341  71.198  1.00 35.23           O  
+HETATM 3003  O   HOH A 578      43.556 108.082 110.017  1.00 32.25           O  
+HETATM 3004  O   HOH A 579      30.913  91.216 103.947  1.00 28.72           O  
+HETATM 3005  O   HOH A 580      41.922  68.940  72.412  1.00 36.49           O  
+HETATM 3006  O   HOH A 581      42.151 107.836 106.231  1.00 32.49           O  
+HETATM 3007  O   HOH A 582      45.021  67.657  88.066  1.00 26.27           O  
+HETATM 3008  O   HOH A 583      44.272  87.397  93.946  1.00 28.41           O  
+HETATM 3009  O   HOH A 584      25.196  77.568  93.111  1.00 34.24           O  
+HETATM 3010  O   HOH A 585      31.185  75.052  97.414  1.00 27.98           O  
+HETATM 3011  O   HOH A 586      58.293  90.744  99.746  1.00 37.02           O  
+HETATM 3012  O   HOH A 587      38.791  61.193 107.791  1.00 34.87           O  
+HETATM 3013  O   HOH A 588      28.972  81.630 106.462  1.00 29.32           O  
+HETATM 3014  O   HOH A 589      45.470  70.450  85.941  1.00 25.06           O  
+HETATM 3015  O   HOH A 590      18.182  57.824  92.071  1.00 34.91           O  
+HETATM 3016  O   HOH A 591      35.778  75.353  66.787  1.00 34.92           O  
+HETATM 3017  O   HOH A 592       7.868  93.169  93.516  1.00 27.54           O  
+HETATM 3018  O   HOH A 593      21.485  80.970 106.143  1.00 31.52           O  
+HETATM 3019  O   HOH A 594      25.386  79.559  91.392  1.00 28.01           O  
+HETATM 3020  O   HOH A 595      10.864 103.104  88.351  1.00 41.39           O  
+HETATM 3021  O   HOH A 596      18.293  79.089 102.851  1.00 31.66           O  
+HETATM 3022  O   HOH A 597      27.600  73.562  88.185  1.00 25.32           O  
+HETATM 3023  O   HOH A 598      19.703 106.593  92.832  1.00 33.35           O  
+HETATM 3024  O   HOH A 599      49.261  64.625  88.025  1.00 37.11           O  
+HETATM 3025  O   HOH A 600      54.609 104.067 113.464  1.00 30.99           O  
+HETATM 3026  O   HOH A 601      48.332  78.538  80.456  1.00 28.14           O  
+HETATM 3027  O   HOH A 602      37.466  84.620  92.075  1.00 32.71           O  
+HETATM 3028  O   HOH A 603      55.703  88.436 105.552  1.00 30.07           O  
+HETATM 3029  O   HOH A 604      27.110  82.412  88.240  1.00 27.87           O  
+HETATM 3030  O   HOH A 605      34.976 101.728 105.869  1.00 28.13           O  
+HETATM 3031  O   HOH A 606      33.687  95.038  90.237  1.00 32.90           O  
+HETATM 3032  O   HOH A 607       8.904 103.138  92.499  1.00 37.95           O  
+HETATM 3033  O   HOH A 608      27.221  75.827  89.341  1.00 31.37           O  
+HETATM 3034  O   HOH A 609      46.486  74.209  80.067  1.00 31.26           O  
+HETATM 3035  O   HOH A 610      30.000  63.352  98.011  1.00 32.15           O  
+HETATM 3036  O   HOH A 611      23.502 107.998 103.291  1.00 33.00           O  
+HETATM 3037  O   HOH A 612      58.589 102.161 111.318  1.00 28.77           O  
+HETATM 3038  O   HOH A 613       5.503  99.401  98.990  1.00 30.72           O  
+HETATM 3039  O   HOH A 614      43.430  93.292 118.308  1.00 25.25           O  
+HETATM 3040  O   HOH A 615      53.901  95.556 115.952  1.00 31.20           O  
+HETATM 3041  O   HOH A 616      53.589  60.216  97.842  1.00 35.97           O  
+HETATM 3042  O   HOH A 617      59.154  91.238 102.453  1.00 32.35           O  
+HETATM 3043  O   HOH A 618      29.098  89.023  91.510  1.00 34.53           O  
+HETATM 3044  O   HOH A 619      44.584  59.015  89.823  1.00 29.54           O  
+HETATM 3045  O   HOH A 620      19.642  90.715 106.854  1.00 30.04           O  
+HETATM 3046  O   HOH A 621      46.429 109.711 108.510  1.00 35.28           O  
+HETATM 3047  O   HOH A 622      27.982  59.233  96.976  1.00 44.26           O  
+HETATM 3048  O   HOH A 623      59.684 101.802 109.008  1.00 32.99           O  
+HETATM 3049  O   HOH A 624      52.199  83.927  95.414  1.00 32.84           O  
+HETATM 3050  O   HOH A 625      43.284 102.478  86.526  1.00 35.84           O  
+HETATM 3051  O   HOH A 626      49.347  83.746  98.790  1.00 28.79           O  
+HETATM 3052  O   HOH A 627      32.915  77.776  78.275  1.00 31.80           O  
+HETATM 3053  O   HOH A 628      27.971 100.883  89.477  1.00 41.79           O  
+HETATM 3054  O   HOH A 629       5.957  93.206  95.889  1.00 30.49           O  
+HETATM 3055  O   HOH A 630      43.518  99.882  85.870  1.00 42.16           O  
+HETATM 3056  O   HOH A 631      46.956 105.859 113.344  1.00 30.05           O  
+HETATM 3057  O   HOH A 632      40.917  96.768  90.218  1.00 40.50           O  
+HETATM 3058  O   HOH A 633      28.757  85.204  86.991  1.00 31.19           O  
+HETATM 3059  O   HOH A 634      31.908  88.606 101.022  1.00 40.60           O  
+HETATM 3060  O   HOH A 635      31.310  92.128 110.816  1.00 26.27           O  
+HETATM 3061  O   HOH A 636      29.579  70.098  96.304  1.00 34.77           O  
+HETATM 3062  O   HOH A 637      44.106  56.195 100.640  1.00 35.24           O  
+HETATM 3063  O   HOH A 638      45.562  98.562  91.821  1.00 35.66           O  
+HETATM 3064  O   HOH A 639      27.787  65.219  94.467  1.00 37.21           O  
+HETATM 3065  O   HOH A 640      37.970 100.549 115.302  1.00 37.44           O  
+HETATM 3066  O   HOH A 641      60.737 104.531 108.844  1.00 35.61           O  
+HETATM 3067  O   HOH A 642      20.531 105.328  86.123  1.00 34.45           O  
+HETATM 3068  O   HOH A 643      40.672 105.740  98.457  1.00 39.03           O  
+HETATM 3069  O   HOH A 644      35.627  83.079  91.035  1.00 28.70           O  
+HETATM 3070  O   HOH A 645      18.910  84.104  83.329  1.00 25.63           O  
+HETATM 3071  O   HOH A 646      44.759  82.068 102.063  1.00 34.34           O  
+HETATM 3072  O   HOH A 647      27.597  72.577  94.800  1.00 39.33           O  
+HETATM 3073  O   HOH A 648      26.703  85.617  84.301  1.00 32.20           O  
+HETATM 3074  O   HOH A 649      40.354  72.019  69.878  1.00 39.34           O  
+HETATM 3075  O   HOH A 650      37.609  90.054 115.498  1.00 32.01           O  
+HETATM 3076  O   HOH A 651      13.483 106.128 107.326  1.00 38.46           O  
+HETATM 3077  O   HOH A 652      46.347  63.449  82.068  1.00 31.70           O  
+HETATM 3078  O   HOH A 653      51.809  83.746  99.898  1.00 32.76           O  
+HETATM 3079  O   HOH A 654      32.772  74.430 102.167  1.00 42.73           O  
+HETATM 3080  O   HOH A 655      52.205  94.140  93.307  1.00 35.82           O  
+HETATM 3081  O   HOH A 656      55.937  89.140 110.267  1.00 39.80           O  
+HETATM 3082  O   HOH A 657      14.419  88.003  84.051  1.00 38.21           O  
+HETATM 3083  O   HOH A 658      50.985  88.151  91.542  1.00 33.26           O  
+HETATM 3084  O   HOH A 659      40.026  67.356  71.955  1.00 37.15           O  
+HETATM 3085  O   HOH A 660      51.537  95.946 117.644  1.00 35.36           O  
+HETATM 3086  O   HOH A 661       8.729  83.215 107.542  1.00 36.45           O  
+HETATM 3087  O   HOH A 662      30.837  98.722  87.942  1.00 30.47           O  
+HETATM 3088  O   HOH A 663      28.116  88.725  85.230  1.00 36.11           O  
+HETATM 3089  O   HOH A 664      52.282  59.745 100.195  1.00 38.83           O  
+HETATM 3090  O   HOH A 665      30.896  86.488 102.267  1.00 35.52           O  
+HETATM 3091  O   HOH A 666      53.532 110.879 102.691  1.00 31.59           O  
+HETATM 3092  O   HOH A 667      56.533 103.238 115.067  1.00 42.00           O  
+HETATM 3093  O   HOH A 668      30.478  86.982  88.590  1.00 35.90           O  
+HETATM 3094  O   HOH A 669      16.219 108.778  95.909  1.00 38.88           O  
+HETATM 3095  O   HOH A 670      24.949  63.558  96.134  1.00 39.35           O  
+HETATM 3096  O   HOH A 671      22.157 100.306  79.854  1.00 42.48           O  
+HETATM 3097  O   HOH A 672      50.783 105.974 116.477  1.00 34.81           O  
+HETATM 3098  O   HOH A 673      49.863  72.993  97.727  1.00 31.10           O  
+HETATM 3099  O   HOH A 674      29.128  80.437  86.568  1.00 33.58           O  
+HETATM 3100  O   HOH A 675      31.790  91.945 114.681  1.00 41.63           O  
+HETATM 3101  O   HOH A 676      45.648  71.361  78.921  1.00 36.85           O  
+HETATM 3102  O   HOH A 677      24.113 107.916 109.967  1.00 32.07           O  
+HETATM 3103  O   HOH A 678      46.965  64.336  86.269  1.00 34.40           O  
+HETATM 3104  O   HOH A 679      53.393 104.935 115.743  1.00 38.63           O  
+HETATM 3105  O   HOH A 680      17.480 108.281  98.092  1.00 34.04           O  
+HETATM 3106  O   HOH A 681      60.943 102.467  99.444  1.00 32.96           O  
+HETATM 3107  O   HOH A 682      31.505  95.306 109.811  1.00 35.06           O  
+HETATM 3108  O   HOH A 683      29.277  72.904  96.624  1.00 40.80           O  
+HETATM 3109  O   HOH A 684      37.981  95.708 115.557  1.00 37.30           O  
+HETATM 3110  O   HOH A 685      13.663 106.350  89.600  1.00 41.38           O  
+HETATM 3111  O   HOH A 686      25.808  73.233  93.118  1.00 37.50           O  
+HETATM 3112  O   HOH A 687      28.217  92.015  87.307  1.00 30.37           O  
+HETATM 3113  O   HOH A 688      10.128  83.590  85.053  1.00 31.13           O  
+HETATM 3114  O   HOH A 689      60.580 106.021 106.540  1.00 41.27           O  
+HETATM 3115  O   HOH A 690      31.855  83.199  87.990  1.00 34.71           O  
+HETATM 3116  O   HOH A 691      34.871  84.995 101.841  1.00 42.54           O  
+HETATM 3117  O   HOH A 692      15.102  99.142  83.046  1.00 41.00           O  
+HETATM 3118  O   HOH A 693      20.961  78.629 105.291  1.00 38.74           O  
+HETATM 3119  O   HOH A 694      27.909  97.538 111.818  1.00 41.29           O  
+HETATM 3120  O   HOH A 695      44.985  97.207 119.077  1.00 35.70           O  
+HETATM 3121  O   HOH A 696      41.405  71.630  72.276  1.00 37.19           O  
+HETATM 3122  O   HOH A 697      29.253  58.263  93.106  1.00 42.21           O  
+HETATM 3123  O   HOH A 698      25.974  71.576  88.636  1.00 35.57           O  
+HETATM 3124  O   HOH A 699      47.712  64.541  83.829  1.00 38.22           O  
+HETATM 3125  O   HOH A 700      43.391  73.650  72.445  1.00 44.05           O  
+HETATM 3126  O   HOH A 701      35.073  77.516  65.119  1.00 38.44           O  
+HETATM 3127  O   HOH A 702      40.854 107.376 108.508  1.00 40.10           O  
+HETATM 3128  O   HOH A 703      47.940  82.323 100.495  1.00 35.17           O  
+HETATM 3129  O   HOH A 704      40.527 103.991 113.943  1.00 36.20           O  
+HETATM 3130  O   HOH A 705      50.020  70.771  85.717  1.00 42.76           O  
+HETATM 3131  O   HOH A 706      40.281 108.133 102.142  1.00 42.68           O  
+HETATM 3132  O   HOH A 707      53.898  88.654 111.866  1.00 36.54           O  
+HETATM 3133  O   HOH A 708      20.551 107.931  94.991  1.00 39.90           O  
+HETATM 3134  O   HOH A 709      19.437  91.496 112.811  1.00 39.29           O  
+HETATM 3135  O   HOH A 710      14.357 104.153  83.659  1.00 37.00           O  
+HETATM 3136  O   HOH A 711      50.841 113.396  96.613  1.00 43.98           O  
+HETATM 3137  O   HOH A 712      26.941  58.415  94.741  1.00 40.54           O  
+HETATM 3138  O   HOH A 713       8.172  94.516  89.727  1.00 39.10           O  
+HETATM 3139  O   HOH A 714      11.878 110.329 101.478  1.00 38.99           O  
+HETATM 3140  O   HOH A 715      38.226  60.183  88.189  1.00 43.57           O  
+HETATM 3141  O   HOH A 716      53.763 107.619 115.855  1.00 42.96           O  
+HETATM 3142  O   HOH A 717      54.375  66.562 100.245  1.00 40.87           O  
+HETATM 3143  O   HOH A 718      17.713 108.057  93.127  1.00 38.33           O  
+HETATM 3144  O   HOH A 719      31.195  72.549  83.056  1.00 22.08           O  
+HETATM 3145  O   HOH A 720      28.205  74.142  85.730  1.00 22.91           O  
+HETATM 3146  O   HOH A 721      51.206  81.164  82.754  1.00 36.60           O  
+HETATM 3147  O   HOH A 722      43.454  97.019  91.623  1.00 41.25           O  
+HETATM 3148  O   HOH A 723      58.067  88.955 103.474  1.00 39.66           O  
+HETATM 3149  O   HOH A 724      47.621 111.970 107.172  1.00 41.55           O  
+HETATM 3150  O   HOH A 725      56.046  65.118  93.070  1.00 43.18           O  
+HETATM 3151  O   HOH A 726      32.783  64.138 101.543  1.00 31.17           O  
+HETATM 3152  O   HOH A 727      31.427 106.255 104.097  1.00 31.04           O  
+HETATM 3153  O   HOH A 728      34.100  81.763 101.258  1.00 39.01           O  
+HETATM 3154  O   HOH A 729      63.543 102.235 100.680  1.00 40.67           O  
+HETATM 3155  O   HOH A 730      52.039  72.238  96.910  1.00 40.03           O  
+HETATM 3156  O   HOH A 731      30.751  99.244 110.851  1.00 38.39           O  
+HETATM 3157  O   HOH A 732      42.377  59.580  80.339  1.00 43.96           O  
+HETATM 3158  O   HOH A 733      49.109  90.446  93.489  1.00 36.28           O  
+HETATM 3159  O   HOH A 734      40.260  61.509  86.545  1.00 39.14           O  
+HETATM 3160  O   HOH A 735      30.668  92.804  98.965  1.00 20.56           O  
+HETATM 3161  O   HOH A 736      31.882  92.673 101.734  1.00 17.73           O  
+HETATM 3162  O   HOH A 737      33.935  87.287  97.829  1.00 27.25           O  
+HETATM 3163  O   HOH A 738      33.675  90.246  98.018  1.00 29.97           O  
+HETATM 3164  O   HOH A 739      34.423  87.086 100.274  1.00 41.31           O  
+HETATM 3165  O   HOH A 740      33.900  92.541  88.741  1.00 47.48           O  
+HETATM 3166  O   HOH A 741      44.347  88.733 100.642  1.00 25.80           O  
+HETATM 3167  O   HOH A 742      33.562  67.175  71.633  1.00 42.52           O  
+HETATM 3168  O   HOH A 743      17.641  90.042 111.371  1.00 34.33           O  
+HETATM 3169  O   HOH A 744      45.239  88.863  98.272  1.00 26.82           O  
+HETATM 3170  O   HOH A 745      45.353  91.443  97.653  1.00 29.40           O  
+HETATM 3171  O   HOH A 746      47.142  94.392 120.606  1.00 40.31           O  
+HETATM 3172  O   HOH A 747      50.475  73.414 100.247  1.00 38.98           O  
+HETATM 3173  O   HOH A 748       6.849 101.946  96.418  1.00 40.63           O  
+HETATM 3174  O   HOH A 749      59.983 104.204  97.931  1.00 39.56           O  
+HETATM 3175  O   HOH A 750      26.774  60.737  98.679  1.00 43.82           O  
+HETATM 3176  O   HOH A 751      32.921  85.295  92.036  1.00 29.81           O  
+HETATM 3177  O   HOH A 752      44.307  95.051 120.476  1.00 48.94           O  
+HETATM 3178  O   HOH A 753      40.641 102.081  87.442  1.00 31.82           O  
+HETATM 3179  O   HOH A 754      26.589  65.166  97.748  1.00 41.24           O  
+HETATM 3180  O   HOH A 755      43.537  74.574  75.021  1.00 39.83           O  
+HETATM 3181  O   HOH A 756      31.652  86.982  85.233  1.00 44.88           O  
+HETATM 3182  O   HOH A 757      48.852  82.794  86.479  1.00 41.39           O  
+HETATM 3183  O   HOH A 758      41.209 106.170  84.955  1.00 46.97           O  
+HETATM 3184  O   HOH A 759      58.500 100.876 114.117  1.00 39.51           O  
+HETATM 3185  O   HOH A 760      39.171 104.951  86.336  1.00 44.28           O  
+HETATM 3186  O   HOH A 761      19.615 106.994 104.745  1.00 38.14           O  
+HETATM 3187  O   HOH A 762      49.560  91.684 118.861  1.00 30.39           O  
+HETATM 3188  O   HOH A 763      44.873 104.221 117.399  1.00 34.45           O  
+HETATM 3189  O   HOH A 764      33.088 100.877 107.863  1.00 29.28           O  
+HETATM 3190  O   HOH A 765      56.278 109.653 104.660  1.00 42.76           O  
+HETATM 3191  O   HOH A 766      51.182  93.975 119.347  1.00 43.55           O  
+HETATM 3192  O   HOH A 767      30.484  87.454 108.080  1.00 34.62           O  
+HETATM 3193  O   HOH A 768      43.907  87.796 118.573  1.00 35.33           O  
+HETATM 3194  O   HOH A 769      39.631  99.657  87.574  1.00 32.32           O  
+HETATM 3195  O   HOH A 770      36.121  96.031  91.410  1.00 33.30           O  
+HETATM 3196  O   HOH A 771      28.328 101.837  86.779  1.00 47.03           O  
+HETATM 3197  O   HOH A 772      54.876  86.233 103.846  1.00 41.15           O  
+HETATM 3198  O   HOH A 773      59.347 104.717 101.626  1.00 32.08           O  
+HETATM 3199  O   HOH A 774      58.778 106.180 103.719  1.00 38.29           O  
+HETATM 3200  O   HOH A 775      26.850  79.481  86.259  1.00 41.02           O  
+HETATM 3201  O   HOH A 776      34.886  54.163  98.167  1.00 39.07           O  
+HETATM 3202  O   HOH A 777      49.771  84.136 107.280  1.00 31.40           O  
+HETATM 3203  O   HOH A 778      13.340 104.309  87.661  1.00 41.49           O  
+HETATM 3204  O   HOH A 779      44.039  68.580  74.664  1.00 41.94           O  
+HETATM 3205  O   HOH A 780      55.064  92.499 113.756  1.00 34.14           O  
+HETATM 3206  O   HOH A 781      26.869  92.934 110.984  1.00 33.05           O  
+HETATM 3207  O   HOH A 782      45.503  56.875  92.146  1.00 48.06           O  
+HETATM 3208  O   HOH A 783      53.521  83.896  97.630  1.00 43.11           O  
+HETATM 3209  O   HOH A 784      31.868  70.152  83.028  1.00 34.42           O  
+HETATM 3210  O   HOH A 785      27.659  69.963  89.982  1.00 37.38           O  
+HETATM 3211  O   HOH A 786      36.175  94.094  92.997  1.00 34.62           O  
+HETATM 3212  O   HOH A 787      35.055 105.993 109.154  1.00 37.49           O  
+HETATM 3213  O   HOH A 788      33.248  92.048  91.712  1.00 43.62           O  
+HETATM 3214  O   HOH A 789      27.146  75.401  92.497  1.00 29.36           O  
+HETATM 3215  O   HOH A 790      40.223  59.609  78.972  1.00 38.86           O  
+HETATM 3216  O   HOH A 791      48.762  74.697 102.709  1.00 43.66           O  
+HETATM 3217  O   HOH A 792      34.424  89.202 104.437  1.00 29.65           O  
+HETATM 3218  O   HOH A 793      60.962 100.116  97.972  1.00 32.06           O  
+HETATM 3219  O   HOH A 794      11.270  88.893  83.731  1.00 42.49           O  
+HETATM 3220  O   HOH A 795      29.347  86.371  84.614  1.00 46.88           O  
+HETATM 3221  O   HOH A 796      13.441  83.931  83.540  1.00 42.36           O  
+HETATM 3222  O   HOH A 797      40.143  92.923  93.626  1.00 36.86           O  
+HETATM 3223  O   HOH A 798      33.052  79.888 104.669  1.00 41.36           O  
+HETATM 3224  O   HOH A 799      40.187  94.544 116.463  1.00 35.99           O  
+HETATM 3225  O   HOH A 800      20.776 107.273  88.314  1.00 39.86           O  
+HETATM 3226  O   HOH A 801      41.889  76.267  76.295  1.00 41.23           O  
+HETATM 3227  O   HOH A 802      21.311 107.217  90.688  1.00 41.07           O  
+HETATM 3228  O   HOH A 803       8.205 107.094  94.136  1.00 47.65           O  
+HETATM 3229  O   HOH A 804      35.155  78.603 104.435  1.00 44.55           O  
+HETATM 3230  O   HOH A 805       7.512  95.833  92.904  1.00 42.30           O  
+HETATM 3231  O   HOH A 806      37.683  92.323 117.921  1.00 46.12           O  
+HETATM 3232  O   HOH A 807      32.865  62.144  85.919  1.00 23.55           O  
+HETATM 3233  O   HOH A 808      30.875  73.004 100.945  1.00 34.87           O  
+HETATM 3234  O   HOH A 809      29.228  73.215 102.974  1.00 37.07           O  
+HETATM 3235  O   HOH A 810      27.151  58.314  82.183  1.00 37.21           O  
+HETATM 3236  O   HOH A 811      29.233  78.779 105.528  1.00 39.50           O  
+HETATM 3237  O   HOH A 812      26.857  58.380  86.487  1.00 37.88           O  
+HETATM 3238  O   HOH A 813      20.772  63.070  95.517  1.00 40.99           O  
+HETATM 3239  O   HOH A 814      48.858  73.621 104.902  1.00 50.12           O  
+HETATM 3240  O   HOH A 815      28.834  98.043 114.590  1.00 44.74           O  
+HETATM 3241  O   HOH A 816      36.935  79.306 106.022  1.00 48.87           O  
+HETATM 3242  O   HOH A 817      25.231  99.370  80.983  1.00 36.56           O  
+HETATM 3243  O   HOH A 818      35.566  90.231  93.997  1.00 42.93           O  
+HETATM 3244  O   HOH A 819      31.692  82.549  81.301  1.00 31.76           O  
+HETATM 3245  O   HOH A 820      57.066 108.740 109.350  1.00 35.46           O  
+HETATM 3246  O   HOH A 821      30.442  91.626  85.892  1.00 43.17           O  
+HETATM 3247  O   HOH A 822      32.683  73.761 107.292  1.00 49.14           O  
+HETATM 3248  O   HOH A 823      52.326 107.052  87.334  1.00 44.14           O  
+HETATM 3249  O   HOH A 824      63.209  91.606 104.774  1.00 39.77           O  
+HETATM 3250  O   HOH A 825      30.163  78.688  82.045  1.00 40.19           O  
+HETATM 3251  O   HOH A 826      38.405 107.674 107.936  1.00 40.44           O  
+HETATM 3252  O   HOH A 827      39.910 111.544 108.260  1.00 53.26           O  
+HETATM 3253  O   HOH A 828      43.053  89.396  97.139  1.00 31.50           O  
+HETATM 3254  O   HOH A 829       6.398 100.499 104.423  1.00 30.46           O  
+HETATM 3255  O   HOH A 830      41.490  82.678 102.679  1.00 31.53           O  
+HETATM 3256  O   HOH A 831      39.102  98.443 116.546  1.00 37.32           O  
+HETATM 3257  O   HOH A 832       4.200 101.129 110.167  1.00 40.25           O  
+HETATM 3258  O   HOH A 833      41.900 109.818 100.316  1.00 48.68           O  
+HETATM 3259  O   HOH A 834      57.061  91.234 111.242  1.00 26.68           O  
+HETATM 3260  O   HOH A 835      54.075 109.162 108.858  1.00 33.98           O  
+HETATM 3261  O   HOH A 836       7.826  86.298  88.013  1.00 33.99           O  
+HETATM 3262  O   HOH A 837      58.299  93.606  96.712  1.00 42.76           O  
+HETATM 3263  O   HOH A 838      64.892  90.036 106.019  1.00 43.93           O  
+HETATM 3264  O   HOH A 839      41.425  52.487 101.980  1.00 43.04           O  
+HETATM 3265  O   HOH A 840      45.819  60.126 109.468  1.00 39.44           O  
+HETATM 3266  O   HOH A 841      36.221  86.672  89.723  1.00 46.47           O  
+HETATM 3267  O   HOH A 842       4.893  86.747 102.504  1.00 43.58           O  
+HETATM 3268  O   HOH A 843      54.061 110.309 106.734  1.00 48.81           O  
+HETATM 3269  O   HOH A 844      10.174  99.654  89.525  1.00 43.94           O  
+HETATM 3270  O   HOH A 845      43.767  69.274  70.339  1.00 54.74           O  
+HETATM 3271  O   HOH A 846      27.862 102.029  92.183  1.00 38.03           O  
+HETATM 3272  O   HOH A 847      56.922  87.373 108.115  1.00 44.13           O  
+HETATM 3273  O   HOH A 848      24.785  81.946 110.812  1.00 46.30           O  
+HETATM 3274  O   HOH A 849      29.806  82.915  86.733  1.00 38.46           O  
+HETATM 3275  O   HOH A 850      46.181 109.335 111.930  1.00 37.66           O  
+HETATM 3276  O   HOH A 851      28.925  83.508  82.073  1.00 40.99           O  
+HETATM 3277  O   HOH A 852      30.634  89.741  87.761  1.00 45.40           O  
+HETATM 3278  O   HOH A 853      32.533  84.409  84.846  1.00 41.59           O  
+HETATM 3279  O   HOH A 854      60.515  99.240 112.562  1.00 46.48           O  
+HETATM 3280  O   HOH A 855      39.669  58.968  86.183  1.00 47.05           O  
+HETATM 3281  O   HOH A 856      39.002  85.963  94.951  1.00 33.12           O  
+HETATM 3282  O   HOH A 857       7.799  81.604  87.132  1.00 39.33           O  
+HETATM 3283  O   HOH A 858       6.196  91.727 108.933  1.00 37.63           O  
+HETATM 3284  O   HOH A 859      53.232  71.942  99.254  1.00 49.37           O  
+HETATM 3285  O   HOH A 860      41.164  71.942  64.378  1.00 43.82           O  
+HETATM 3286  O   HOH A 861       5.557  82.175  91.250  1.00 40.36           O  
+HETATM 3287  O   HOH A 862      51.414  79.448  87.478  1.00 35.79           O  
+HETATM 3288  O   HOH A 863      51.742 101.265 119.096  1.00 39.59           O  
+HETATM 3289  O   HOH A 864      43.655 110.420  94.543  1.00 49.28           O  
+HETATM 3290  O   HOH A 865      41.797  88.350  94.006  1.00 29.99           O  
+HETATM 3291  O   HOH A 866       8.412  97.109  89.215  1.00 50.04           O  
+HETATM 3292  O   HOH A 867      60.540  89.756  98.620  1.00 47.98           O  
+HETATM 3293  O   HOH A 868      62.384  89.957 100.654  1.00 44.98           O  
+HETATM 3294  O   HOH A 869      25.610 104.013 111.434  1.00 39.78           O  
+HETATM 3295  O   HOH A 870      47.220  67.891  84.506  1.00 47.59           O  
+HETATM 3296  O   HOH A 871      24.348  61.676  97.987  1.00 47.23           O  
+HETATM 3297  O   HOH A 872      15.017  85.664  82.291  1.00 44.63           O  
+HETATM 3298  O   HOH A 873       6.213  88.785  95.672  1.00 38.52           O  
+HETATM 3299  O   HOH A 874      38.742  88.432  93.073  1.00 41.79           O  
+HETATM 3300  O   HOH A 875      29.471  97.148 109.649  1.00 40.62           O  
+HETATM 3301  O   HOH A 876      43.412 110.951 107.892  1.00 37.79           O  
+HETATM 3302  O   HOH A 877      17.856  91.482  85.200  1.00 34.48           O  
+HETATM 3303  O   HOH A 878      41.811 110.074 110.032  1.00 49.36           O  
+HETATM 3304  O   HOH A 879      31.164  93.070  87.938  1.00 42.92           O  
+HETATM 3305  O   HOH A 880      35.257 102.897  96.503  1.00 42.01           O  
+HETATM 3306  O   HOH A 881      21.924  83.032 112.631  1.00 44.51           O  
+HETATM 3307  O   HOH A 882      55.787  91.017  98.984  1.00 49.63           O  
+HETATM 3308  O   HOH A 883      53.114  84.502 110.794  1.00 50.70           O  
+HETATM 3309  O   HOH A 884      29.056  99.908  93.252  1.00 31.06           O  
+HETATM 3310  O   HOH A 885      22.658  79.601 108.444  1.00 45.80           O  
+HETATM 3311  O   HOH A 886      32.755  59.526  86.600  1.00 38.01           O  
+HETATM 3312  O   HOH A 887      46.544  75.729  76.179  1.00 51.12           O  
+HETATM 3313  O   HOH A 888      43.497 103.172 120.323  1.00 42.26           O  
+HETATM 3314  O   HOH A 889      13.708  86.035  79.759  1.00 48.21           O  
+HETATM 3315  O   HOH A 890      10.567 107.998  95.911  1.00 48.73           O  
+HETATM 3316  O   HOH A 891      36.493  58.718  91.879  1.00 48.07           O  
+HETATM 3317  O   HOH A 892      47.733  75.248  73.563  1.00 45.79           O  
+HETATM 3318  O   HOH A 893      55.433  87.182 113.993  1.00 50.67           O  
+HETATM 3319  O   HOH A 894      35.886  59.716  89.438  1.00 44.97           O  
+HETATM 3320  O   HOH A 895      23.956 108.399  91.429  1.00 51.46           O  
+HETATM 3321  O   HOH A 896      47.028  77.139  78.507  1.00 32.80           O  
+HETATM 3322  O   HOH A 897      30.511  91.209  90.154  1.00 43.39           O  
+HETATM 3323  O   HOH A 898      34.114  89.576 101.780  1.00 38.06           O  
+HETATM 3324  O   HOH A 899      33.886  86.930  87.103  1.00 46.94           O  
+HETATM 3325  O   HOH A 900       8.170 102.932 102.718  1.00 30.33           O  
+HETATM 3326  O   HOH A 901      27.580  80.909 109.125  1.00 39.59           O  
+HETATM 3327  O   HOH A 902      51.833  86.916 118.614  1.00 41.00           O  
+HETATM 3328  O   HOH A 903      48.202  77.078  71.712  1.00 44.15           O  
+HETATM 3329  O   HOH A 904      55.257 102.803 117.916  1.00 48.21           O  
+HETATM 3330  O   HOH A 905      10.040  96.398  91.333  1.00 30.62           O  
+HETATM 3331  O   HOH A 906      37.308  77.217  63.549  1.00 44.36           O  
+HETATM 3332  O   HOH A 907      29.395  71.616  99.367  1.00 42.91           O  
+HETATM 3333  O   HOH A 908      17.068  58.450  89.912  1.00 50.53           O  
+HETATM 3334  O   HOH A 909      28.650  75.662 102.800  1.00 43.13           O  
+HETATM 3335  O   HOH A 910      15.233  90.042 112.512  1.00 47.48           O  
+HETATM 3336  O   HOH A 911      11.482  98.240  91.323  1.00 38.52           O  
+HETATM 3337  O   HOH A 912      29.559  58.415  89.304  1.00 39.79           O  
+HETATM 3338  O   HOH A 913       7.598 103.742  98.214  1.00 37.66           O  
+HETATM 3339  O   HOH A 914      23.658  66.074  97.020  1.00 50.31           O  
+HETATM 3340  O   HOH A 915      30.766  59.322  95.117  1.00 44.51           O  
+HETATM 3341  O   HOH A 916      52.719  50.026  97.434  1.00 53.00           O  
+HETATM 3342  O   HOH A 917      39.473  94.490  90.872  1.00 45.36           O  
+HETATM 3343  O   HOH A 918      42.910  71.940  62.093  1.00 46.55           O  
+HETATM 3344  O   HOH A 919      19.708  92.587 108.772  1.00 30.75           O  
+HETATM 3345  O   HOH A 920      51.668  83.307 105.977  1.00 44.05           O  
+HETATM 3346  O   HOH A 921      15.568  74.176 106.116  1.00 39.57           O  
+HETATM 3347  O   HOH A 922       5.848  96.459  90.871  1.00 52.22           O  
+HETATM 3348  O   HOH A 923      52.837  86.017 114.528  1.00 46.43           O  
+HETATM 3349  O   HOH A 924      37.537  88.340  96.096  1.00 34.87           O  
+HETATM 3350  O   HOH A 925      53.170  89.149 115.898  1.00 32.21           O  
+HETATM 3351  O   HOH A 926      52.827  89.760  98.070  1.00 29.05           O  
+HETATM 3352  O   HOH A 927       7.477 102.966 109.505  1.00 42.50           O  
+HETATM 3353  O   HOH A 928      11.989  98.867  86.366  1.00 46.47           O  
+HETATM 3354  O   HOH A 929      58.690 107.593  99.181  1.00 42.14           O  
+HETATM 3355  O   HOH A 930      32.611 104.596 106.690  1.00 34.51           O  
+HETATM 3356  O   HOH A 931      27.083  94.384  84.569  1.00 40.64           O  
+HETATM 3357  O   HOH A 932      16.849  89.212  84.847  1.00 44.31           O  
+HETATM 3358  O   HOH A 933      28.131  96.210  85.911  1.00 43.80           O  
+HETATM 3359  O   HOH A 934      31.398  76.713  81.264  1.00 34.37           O  
+HETATM 3360  O   HOH A 935      36.652  58.446  84.191  1.00 39.37           O  
+HETATM 3361  O   HOH A 936      53.163  58.843  93.875  1.00 51.10           O  
+HETATM 3362  O   HOH A 937      35.700  87.357 103.172  1.00 46.20           O  
+HETATM 3363  O   HOH A 938      27.793  98.027  84.206  1.00 45.52           O  
+HETATM 3364  O   HOH A 939      58.277 108.690 106.784  1.00 49.17           O  
+HETATM 3365  O   HOH A 940      24.479  56.668  87.254  1.00 50.52           O  
+HETATM 3366  O   HOH A 941       6.795  86.137  97.959  1.00 45.08           O  
+HETATM 3367  O   HOH A 942      22.442 103.548 113.262  1.00 48.32           O  
+HETATM 3368  O   HOH A 943      49.520  97.608 119.687  1.00 38.98           O  
+HETATM 3369  O   HOH A 944      38.234  63.682 108.056  1.00 43.39           O  
+HETATM 3370  O   HOH A 945      23.660 105.410 111.598  1.00 45.74           O  
+HETATM 3371  O   HOH A 946      39.191  69.848  67.697  1.00 52.09           O  
+HETATM 3372  O   HOH A 947      47.931  97.420  92.281  1.00 43.66           O  
+HETATM 3373  O   HOH A 948      50.156 104.627  85.326  1.00 44.54           O  
+HETATM 3374  O   HOH A 949      57.857 102.424  95.897  1.00 46.39           O  
+HETATM 3375  O   HOH A 950      56.063  65.957 102.433  1.00 54.47           O  
+HETATM 3376  O   HOH A 951      58.033  99.311 116.467  1.00 55.34           O  
+HETATM 3377  O   HOH A 952      36.287 105.973 112.007  1.00 45.80           O  
+HETATM 3378  O   HOH A 953      43.666  72.270  76.305  1.00 40.47           O  
+HETATM 3379  O   HOH A 954      36.587  98.336  90.451  1.00 46.51           O  
+HETATM 3380  O   HOH A 955      38.822 109.716 106.084  1.00 52.41           O  
+HETATM 3381  O   HOH A 956      49.529 102.023 120.505  1.00 42.79           O  
+HETATM 3382  O   HOH A 957       7.981 105.748  96.261  1.00 49.62           O  
+HETATM 3383  O   HOH A 958      12.659 107.964  87.736  1.00 47.22           O  
+HETATM 3384  O   HOH A 959      52.545  81.889 111.027  1.00 49.62           O  
+HETATM 3385  O   HOH A 960      33.013  89.479 116.190  1.00 50.39           O  
+HETATM 3386  O   HOH A 961      33.931 102.489  91.290  1.00 46.53           O  
+HETATM 3387  O   HOH A 962      53.864  82.118  93.650  1.00 43.56           O  
+HETATM 3388  O   HOH A 963      39.644 103.198 122.090  1.00 55.93           O  
+HETATM 3389  O   HOH A 964      26.169  59.775 101.622  1.00 52.30           O  
+HETATM 3390  O   HOH A 965      17.182  77.366 109.184  1.00 51.13           O  
+HETATM 3391  O   HOH A 966      53.271  78.879  85.605  1.00 49.55           O  
+HETATM 3392  O   HOH A 967      21.803  90.048 113.847  1.00 50.48           O  
+HETATM 3393  O   HOH A 968      22.717  89.366 105.380  1.00 30.42           O  
+HETATM 3394  O   HOH A 969      25.289 102.160  91.142  1.00 39.24           O  
+HETATM 3395  O   HOH A 970      31.406  86.952 105.966  1.00 44.58           O  
+HETATM 3396  O   HOH A 971      25.115 103.580  84.325  1.00 54.66           O  
+HETATM 3397  O   HOH A 972      38.863  78.446  57.159  1.00 50.18           O  
+HETATM 3398  O   HOH A 973      41.489  64.466 113.655  1.00 49.11           O  
+HETATM 3399  O   HOH A 974      36.267  92.520  90.451  1.00 50.12           O  
+HETATM 3400  O   HOH A 975      22.821 104.372  84.187  1.00 44.91           O  
+HETATM 3401  O   HOH A 976      29.277  61.645  95.827  1.00 45.66           O  
+HETATM 3402  O   HOH A 977      17.631  57.932  82.648  1.00 50.32           O  
+HETATM 3403  O   HOH A 978      51.930  56.239  94.358  1.00 49.82           O  
+HETATM 3404  O   HOH A 979      37.032  96.195  87.885  1.00 51.98           O  
+HETATM 3405  O   HOH A 980       6.070  80.375  94.914  1.00 49.49           O  
+HETATM 3406  O   HOH A 981      55.273  87.350  97.806  1.00 53.45           O  
+HETATM 3407  O   HOH A 982       3.838  81.857  94.379  1.00 48.15           O  
+HETATM 3408  O   HOH A 983      40.298  59.807  89.551  1.00 49.99           O  
+HETATM 3409  O   HOH A 984      42.773  81.263 104.741  1.00 58.94           O  
+HETATM 3410  O   HOH A 985      28.295  97.168  81.671  1.00 49.54           O  
+HETATM 3411  O   HOH A 986       5.717  87.451  89.055  1.00 44.59           O  
+HETATM 3412  O   HOH A 987      40.249  65.591 110.683  1.00 44.91           O  
+HETATM 3413  O   HOH A 988      34.121  91.700 100.711  1.00 30.44           O  
+HETATM 3414  O   HOH A 989      30.309 106.849 109.117  1.00 46.76           O  
+HETATM 3415  O   HOH A 990      62.407  93.198 109.853  1.00 52.42           O  
+HETATM 3416  O   HOH A 991      40.797  63.784  72.950  1.00 38.27           O  
+HETATM 3417  O   HOH A 992      25.901 106.152 109.160  1.00 38.41           O  
+HETATM 3418  O   HOH A 993      43.701  60.462  86.889  1.00 46.37           O  
+HETATM 3419  O   HOH A 994      31.817  88.759  91.175  1.00 43.43           O  
+HETATM 3420  O   HOH A 995      15.615  86.731  78.149  1.00 44.40           O  
+HETATM 3421  O   HOH A 996      46.927  65.146  80.073  1.00 46.03           O  
+HETATM 3422  O   HOH A 997      35.225  88.508 114.906  1.00 38.62           O  
+HETATM 3423  O   HOH A 998      35.565 100.020 113.979  1.00 47.40           O  
+HETATM 3424  O   HOH A 999      52.403  77.018  90.074  1.00 46.27           O  
+HETATM 3425  O   HOH A1000      27.962 106.066 110.903  1.00 49.32           O  
+HETATM 3426  O   HOH A1001      39.019  87.791  89.571  1.00 44.66           O  
+HETATM 3427  O   HOH A1002      26.738  53.458  98.753  1.00 56.67           O  
+HETATM 3428  O   HOH A1003      53.539  72.929  89.203  1.00 46.97           O  
+HETATM 3429  O   HOH A1004      33.282 108.211 108.431  1.00 54.15           O  
+HETATM 3430  O   HOH A1005      39.690  80.036  55.355  1.00 46.29           O  
+HETATM 3431  O   HOH A1006      15.440  92.837 112.711  1.00 51.27           O  
+HETATM 3432  O   HOH A1007      39.801  90.604  95.229  1.00 41.04           O  
+HETATM 3433  O   HOH A1008      51.668  98.904 118.634  1.00 49.40           O  
+HETATM 3434  O   HOH A1009      13.819  80.922 111.954  1.00 55.86           O  
+HETATM 3435  O   HOH A1010       9.001  85.622 106.407  1.00 53.97           O  
+HETATM 3436  O   HOH A1011       9.352  87.826 106.552  1.00 41.81           O  
+HETATM 3437  O   HOH A1012      10.299  87.074 109.045  1.00 52.39           O  
+HETATM 3438  O   HOH A1013       7.613  80.946 106.603  1.00 42.92           O  
+HETATM 3439  O   HOH A1014       9.666  89.324 108.392  1.00 53.90           O  
+CONECT  124 2920                                                                
+CONECT  129 2920                                                                
+CONECT  594 2920                                                                
+CONECT  645 2920                                                                
+CONECT 1404 2924                                                                
+CONECT 1544 2922                                                                
+CONECT 1546 2922                                                                
+CONECT 1636 2921                                                                
+CONECT 1637 2921                                                                
+CONECT 1719 2923                                                                
+CONECT 1736 2923                                                                
+CONECT 1779 2923                                                                
+CONECT 1780 2923                                                                
+CONECT 1883 2921                                                                
+CONECT 2046 2925                                                                
+CONECT 2271 2921                                                                
+CONECT 2273 2921                                                                
+CONECT 2595 2925                                                                
+CONECT 2596 2868                                                                
+CONECT 2609 2925                                                                
+CONECT 2868 2596 2869 2879                                                      
+CONECT 2869 2868 2870 2876                                                      
+CONECT 2870 2869 2871 2877                                                      
+CONECT 2871 2870 2872 2878                                                      
+CONECT 2872 2871 2873 2879                                                      
+CONECT 2873 2872 2880                                                           
+CONECT 2874 2875 2876 2881                                                      
+CONECT 2875 2874                                                                
+CONECT 2876 2869 2874                                                           
+CONECT 2877 2870                                                                
+CONECT 2878 2871 2882                                                           
+CONECT 2879 2868 2872                                                           
+CONECT 2880 2873                                                                
+CONECT 2881 2874                                                                
+CONECT 2882 2878 2883 2893                                                      
+CONECT 2883 2882 2884 2890                                                      
+CONECT 2884 2883 2885 2891                                                      
+CONECT 2885 2884 2886 2892                                                      
+CONECT 2886 2885 2887 2893                                                      
+CONECT 2887 2886 2894                                                           
+CONECT 2888 2889 2890 2895                                                      
+CONECT 2889 2888                                                                
+CONECT 2890 2883 2888                                                           
+CONECT 2891 2884                                                                
+CONECT 2892 2885                                                                
+CONECT 2893 2882 2886                                                           
+CONECT 2894 2887                                                                
+CONECT 2895 2888                                                                
+CONECT 2896 2897                                                                
+CONECT 2897 2896 2898 2899 2900                                                 
+CONECT 2898 2897                                                                
+CONECT 2899 2897                                                                
+CONECT 2900 2897 2901                                                           
+CONECT 2901 2900 2902 2903                                                      
+CONECT 2902 2901                                                                
+CONECT 2903 2901                                                                
+CONECT 2904 2905                                                                
+CONECT 2905 2904 2906 2907 2908                                                 
+CONECT 2906 2905                                                                
+CONECT 2907 2905                                                                
+CONECT 2908 2905 2909                                                           
+CONECT 2909 2908 2910 2911                                                      
+CONECT 2910 2909                                                                
+CONECT 2911 2909                                                                
+CONECT 2912 2913                                                                
+CONECT 2913 2912 2914 2915 2916                                                 
+CONECT 2914 2913                                                                
+CONECT 2915 2913                                                                
+CONECT 2916 2913 2917                                                           
+CONECT 2917 2916 2918 2919                                                      
+CONECT 2918 2917                                                                
+CONECT 2919 2917                                                                
+CONECT 2920  124  129  594  645                                                 
+CONECT 2920 2926                                                                
+CONECT 2921 1636 1637 1883 2271                                                 
+CONECT 2921 2273 3156 3300                                                      
+CONECT 2922 1544 1546 2945 3006                                                 
+CONECT 2922 3046 3301                                                           
+CONECT 2923 1719 1736 1779 1780                                                 
+CONECT 2923 3085 3368 3433                                                      
+CONECT 2924 1404 3281 3290 3299                                                 
+CONECT 2924 3349 3432                                                           
+CONECT 2925 2046 2595 2609 3434                                                 
+CONECT 2926 2920                                                                
+CONECT 2945 2922                                                                
+CONECT 3006 2922                                                                
+CONECT 3046 2922                                                                
+CONECT 3085 2923                                                                
+CONECT 3156 2921                                                                
+CONECT 3281 2924                                                                
+CONECT 3290 2924                                                                
+CONECT 3299 2924                                                                
+CONECT 3300 2921                                                                
+CONECT 3301 2922                                                                
+CONECT 3349 2924                                                                
+CONECT 3368 2923                                                                
+CONECT 3432 2924                                                                
+CONECT 3433 2923                                                                
+CONECT 3434 2925                                                                
+MASTER      378    0   11   14   15    0    0    6 3413    1   99   29          
+END                                                                             
diff --git a/tests/protein_ligand/test_data/4hhb.pdb b/tests/protein_ligand/test_data/4hhb.pdb
new file mode 100644
index 000000000..74781d476
--- /dev/null
+++ b/tests/protein_ligand/test_data/4hhb.pdb
@@ -0,0 +1,5848 @@
+HEADER    OXYGEN TRANSPORT                        07-MAR-84   4HHB              
+TITLE     THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS     
+TITLE    2 RESOLUTION                                                           
+CAVEAT     4HHB    THR A 137 HAS WRONG CHIRALITY AT ATOM CB THR B 12 HAS WRONG  
+CAVEAT   2 4HHB    CHIRALITY AT ATOM CB THR B 50 HAS WRONG CHIRALITY AT ATOM    
+CAVEAT   3 4HHB    CB ASN C 78 HAS WRONG CHIRALITY AT ATOM CA THR C 118 HAS     
+CAVEAT   4 4HHB    WRONG CHIRALITY AT ATOM CB HIS D 2 HAS WRONG CHIRALITY AT    
+CAVEAT   5 4HHB    ATOM CA SER D 72 HAS WRONG CHIRALITY AT ATOM CA ASP D 73     
+CAVEAT   6 4HHB    HAS WRONG CHIRALITY AT ATOM CA LEU D 78 HAS WRONG CHIRALITY  
+CAVEAT   7 4HHB    AT ATOM CA LYS D 144 HAS WRONG CHIRALITY AT ATOM CA          
+COMPND    MOL_ID: 1;                                                            
+COMPND   2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA;                                  
+COMPND   3 CHAIN: A, C;                                                         
+COMPND   4 SYNONYM: ALPHA-GLOBIN,HEMOGLOBIN ALPHA CHAIN;                        
+COMPND   5 ENGINEERED: YES;                                                     
+COMPND   6 MOL_ID: 2;                                                           
+COMPND   7 MOLECULE: HEMOGLOBIN SUBUNIT BETA;                                   
+COMPND   8 CHAIN: B, D;                                                         
+COMPND   9 SYNONYM: BETA-GLOBIN,HEMOGLOBIN BETA CHAIN;                          
+COMPND  10 ENGINEERED: YES                                                      
+SOURCE    MOL_ID: 1;                                                            
+SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
+SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
+SOURCE   4 ORGANISM_TAXID: 9606;                                                
+SOURCE   5 GENE: HBA1, HBA2;                                                    
+SOURCE   6 MOL_ID: 2;                                                           
+SOURCE   7 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
+SOURCE   8 ORGANISM_COMMON: HUMAN;                                              
+SOURCE   9 ORGANISM_TAXID: 9606;                                                
+SOURCE  10 GENE: HBB                                                            
+KEYWDS    OXYGEN TRANSPORT                                                      
+EXPDTA    X-RAY DIFFRACTION                                                     
+AUTHOR    G.FERMI,M.F.PERUTZ                                                    
+REVDAT   6   17-JUN-20 4HHB    1       CAVEAT COMPND SOURCE DBREF               
+REVDAT   6 2                   1       ATOM                                     
+REVDAT   5   13-JUL-11 4HHB    1       VERSN                                    
+REVDAT   4   24-FEB-09 4HHB    1       VERSN                                    
+REVDAT   3   01-APR-03 4HHB    1       JRNL                                     
+REVDAT   2   15-OCT-89 4HHB    3       MTRIX                                    
+REVDAT   1   17-JUL-84 4HHB    0                                                
+SPRSDE     17-JUL-84 4HHB      1HHB                                             
+JRNL        AUTH   G.FERMI,M.F.PERUTZ,B.SHAANAN,R.FOURME                        
+JRNL        TITL   THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 A    
+JRNL        TITL 2 RESOLUTION                                                   
+JRNL        REF    J.MOL.BIOL.                   V. 175   159 1984              
+JRNL        REFN                   ISSN 0022-2836                               
+JRNL        PMID   6726807                                                      
+JRNL        DOI    10.1016/0022-2836(84)90472-8                                 
+REMARK   1                                                                      
+REMARK   1 REFERENCE 1                                                          
+REMARK   1  AUTH   M.F.PERUTZ,S.S.HASNAIN,P.J.DUKE,J.L.SESSLER,J.E.HAHN         
+REMARK   1  TITL   STEREOCHEMISTRY OF IRON IN DEOXYHAEMOGLOBIN                  
+REMARK   1  REF    NATURE                        V. 295   535 1982              
+REMARK   1  REFN                   ISSN 0028-0836                               
+REMARK   1 REFERENCE 2                                                          
+REMARK   1  AUTH   G.FERMI,M.F.PERUTZ                                           
+REMARK   1  REF    HAEMOGLOBIN AND MYOGLOBIN.    V.   2       1981              
+REMARK   1  REF  2 ATLAS OF MOLECULAR                                           
+REMARK   1  REF  3 STRUCTURES IN BIOLOGY                                        
+REMARK   1  PUBL   OXFORD UNIVERSITY PRESS                                      
+REMARK   1  REFN                                                                
+REMARK   1 REFERENCE 3                                                          
+REMARK   1  AUTH   M.F.PERUTZ                                                   
+REMARK   1  TITL   REGULATION OF OXYGEN AFFINITY OF HEMOGLOBIN. INFLUENCE OF    
+REMARK   1  TITL 2 STRUCTURE OF THE GLOBIN ON THE HEME IRON                     
+REMARK   1  REF    ANNU.REV.BIOCHEM.             V.  48   327 1979              
+REMARK   1  REFN                   ISSN 0066-4154                               
+REMARK   1 REFERENCE 4                                                          
+REMARK   1  AUTH   L.F.TENEYCK,A.ARNONE                                         
+REMARK   1  TITL   THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN DEOXYHEMOGLOBIN 
+REMARK   1  TITL 2 AT 2.5 ANGSTROMS RESOLUTION, I.X-RAY ANALYSIS                
+REMARK   1  REF    J.MOL.BIOL.                   V. 100     3 1976              
+REMARK   1  REFN                   ISSN 0022-2836                               
+REMARK   1 REFERENCE 5                                                          
+REMARK   1  AUTH   G.FERMI                                                      
+REMARK   1  TITL   THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN                 
+REMARK   1  TITL 2 DEOXYHAEMOGLOBIN AT 2.5 ANGSTROMS RESOLUTION, REFINEMENT OF  
+REMARK   1  TITL 3 THE ATOMIC MODEL                                             
+REMARK   1  REF    J.MOL.BIOL.                   V.  97   237 1975              
+REMARK   1  REFN                   ISSN 0022-2836                               
+REMARK   1 REFERENCE 6                                                          
+REMARK   1  AUTH   H.MUIRHEAD,J.GREER                                           
+REMARK   1  TITL   THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN                 
+REMARK   1  TITL 2 DEOXYHAEMOGLOBIN AT 3.5 ANGSTROMS RESOLUTION                 
+REMARK   1  REF    NATURE                        V. 228   516 1970              
+REMARK   1  REFN                   ISSN 0028-0836                               
+REMARK   1 REFERENCE 7                                                          
+REMARK   1  EDIT   M.O.DAYHOFF                                                  
+REMARK   1  REF    ATLAS OF PROTEIN SEQUENCE     V.   5    56 1972              
+REMARK   1  REF  2 AND STRUCTURE (DATA SECTION)                                 
+REMARK   1  PUBL   NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD.   
+REMARK   1  REFN                                                                
+REMARK   1 REFERENCE 8                                                          
+REMARK   1  EDIT   M.O.DAYHOFF                                                  
+REMARK   1  REF    ATLAS OF PROTEIN SEQUENCE     V.   5    64 1972              
+REMARK   1  REF  2 AND STRUCTURE (DATA SECTION)                                 
+REMARK   1  PUBL   NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD.   
+REMARK   1  REFN                                                                
+REMARK   2                                                                      
+REMARK   2 RESOLUTION.    1.74 ANGSTROMS.                                       
+REMARK   3                                                                      
+REMARK   3 REFINEMENT.                                                          
+REMARK   3   PROGRAM     : NULL                                                 
+REMARK   3   AUTHORS     : NULL                                                 
+REMARK   3                                                                      
+REMARK   3  DATA USED IN REFINEMENT.                                            
+REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.74                           
+REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : NULL                           
+REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
+REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
+REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
+REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : NULL                           
+REMARK   3   NUMBER OF REFLECTIONS             : NULL                           
+REMARK   3                                                                      
+REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
+REMARK   3   CROSS-VALIDATION METHOD          : NULL                            
+REMARK   3   FREE R VALUE TEST SET SELECTION  : NULL                            
+REMARK   3   R VALUE            (WORKING SET) : 0.135                           
+REMARK   3   FREE R VALUE                     : NULL                            
+REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
+REMARK   3   FREE R VALUE TEST SET COUNT      : NULL                            
+REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
+REMARK   3                                                                      
+REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
+REMARK   3   TOTAL NUMBER OF BINS USED           : NULL                         
+REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : NULL                         
+REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL                         
+REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
+REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
+REMARK   3   BIN R VALUE           (WORKING SET) : NULL                         
+REMARK   3   BIN FREE R VALUE                    : NULL                         
+REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
+REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
+REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
+REMARK   3                                                                      
+REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
+REMARK   3   PROTEIN ATOMS            : 4384                                    
+REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
+REMARK   3   HETEROGEN ATOMS          : 174                                     
+REMARK   3   SOLVENT ATOMS            : 221                                     
+REMARK   3                                                                      
+REMARK   3  B VALUES.                                                           
+REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
+REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
+REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
+REMARK   3    B11 (A**2) : NULL                                                 
+REMARK   3    B22 (A**2) : NULL                                                 
+REMARK   3    B33 (A**2) : NULL                                                 
+REMARK   3    B12 (A**2) : NULL                                                 
+REMARK   3    B13 (A**2) : NULL                                                 
+REMARK   3    B23 (A**2) : NULL                                                 
+REMARK   3                                                                      
+REMARK   3  ESTIMATED COORDINATE ERROR.                                         
+REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL                            
+REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
+REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
+REMARK   3                                                                      
+REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
+REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
+REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
+REMARK   3                                                                      
+REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
+REMARK   3   BOND LENGTHS                 (A) : NULL                            
+REMARK   3   BOND ANGLES            (DEGREES) : NULL                            
+REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL                            
+REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL                            
+REMARK   3                                                                      
+REMARK   3  ISOTROPIC THERMAL MODEL : NULL                                      
+REMARK   3                                                                      
+REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
+REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
+REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
+REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
+REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
+REMARK   3                                                                      
+REMARK   3  NCS MODEL : NULL                                                    
+REMARK   3                                                                      
+REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
+REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
+REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
+REMARK   3                                                                      
+REMARK   3  PARAMETER FILE  1  : NULL                                           
+REMARK   3  TOPOLOGY FILE  1   : NULL                                           
+REMARK   3                                                                      
+REMARK   3  OTHER REFINEMENT REMARKS:                                           
+REMARK   3  THE COORDINATES GIVEN HERE ARE IN THE ORTHOGONAL ANGSTROM           
+REMARK   3  SYSTEM STANDARD FOR HEMOGLOBINS. THE Y AXIS IS THE                  
+REMARK   3  (NON CRYSTALLOGRAPHIC) MOLECULAR DIAD AND THE X AXIS IS THE         
+REMARK   3  PSEUDO DIAD WHICH RELATES THE ALPHA-1 AND BETA-1 CHAINS.            
+REMARK   3  THE TRANSFORMATION GIVEN IN THE *MTRIX* RECORDS BELOW               
+REMARK   3  WILL GENERATE COORDINATES FOR THE *C* AND *D* CHAINS FROM           
+REMARK   3  THE *A* AND *B* CHAINS RESPECTIVELY.                                
+REMARK   4                                                                      
+REMARK   4 4HHB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
+REMARK 100                                                                      
+REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
+REMARK 100 THE DEPOSITION ID IS D_1000179340.                                   
+REMARK 200                                                                      
+REMARK 200 EXPERIMENTAL DETAILS                                                 
+REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
+REMARK 200  DATE OF DATA COLLECTION        : NULL                               
+REMARK 200  TEMPERATURE           (KELVIN) : NULL                               
+REMARK 200  PH                             : NULL                               
+REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
+REMARK 200                                                                      
+REMARK 200  SYNCHROTRON              (Y/N) : NULL                               
+REMARK 200  RADIATION SOURCE               : NULL                               
+REMARK 200  BEAMLINE                       : NULL                               
+REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
+REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : NULL                               
+REMARK 200  WAVELENGTH OR RANGE        (A) : NULL                               
+REMARK 200  MONOCHROMATOR                  : NULL                               
+REMARK 200  OPTICS                         : NULL                               
+REMARK 200                                                                      
+REMARK 200  DETECTOR TYPE                  : NULL                               
+REMARK 200  DETECTOR MANUFACTURER          : NULL                               
+REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
+REMARK 200  DATA SCALING SOFTWARE          : NULL                               
+REMARK 200                                                                      
+REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : NULL                               
+REMARK 200  RESOLUTION RANGE HIGH      (A) : NULL                               
+REMARK 200  RESOLUTION RANGE LOW       (A) : NULL                               
+REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
+REMARK 200                                                                      
+REMARK 200 OVERALL.                                                             
+REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
+REMARK 200  DATA REDUNDANCY                : NULL                               
+REMARK 200  R MERGE                    (I) : NULL                               
+REMARK 200  R SYM                      (I) : NULL                               
+REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
+REMARK 200                                                                      
+REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
+REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
+REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
+REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
+REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
+REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
+REMARK 200  R SYM FOR SHELL            (I) : NULL                               
+REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
+REMARK 200                                                                      
+REMARK 200 DIFFRACTION PROTOCOL: NULL                                           
+REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
+REMARK 200 SOFTWARE USED: NULL                                                  
+REMARK 200 STARTING MODEL: NULL                                                 
+REMARK 200                                                                      
+REMARK 200 REMARK: NULL                                                         
+REMARK 280                                                                      
+REMARK 280 CRYSTAL                                                              
+REMARK 280 SOLVENT CONTENT, VS   (%): 45.48                                     
+REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.26                     
+REMARK 280                                                                      
+REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
+REMARK 285                                                                      
+REMARK 285 THE ENTRY COORDINATES                                                
+REMARK 285 ARE NOT PRESENTED IN THE STANDARD CRYSTAL FRAME.                     
+REMARK 290                                                                      
+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
+REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
+REMARK 290                                                                      
+REMARK 290      SYMOP   SYMMETRY                                                
+REMARK 290     NNNMMM   OPERATOR                                                
+REMARK 290       1555   X,Y,Z                                                   
+REMARK 290       2555   -X,Y+1/2,-Z                                             
+REMARK 290                                                                      
+REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
+REMARK 290           MMM -> TRANSLATION VECTOR                                  
+REMARK 290                                                                      
+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
+REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
+REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
+REMARK 290 RELATED MOLECULES.                                                   
+REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
+REMARK 290   SMTRY1   2 -0.949456 -0.312801 -0.025883       -6.64347            
+REMARK 290   SMTRY2   2 -0.312858  0.936202  0.160212       41.12228            
+REMARK 290   SMTRY3   2 -0.025884  0.160188 -0.986745        3.40218            
+REMARK 290                                                                      
+REMARK 290 REMARK: NULL                                                         
+REMARK 300                                                                      
+REMARK 300 BIOMOLECULE: 1                                                       
+REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
+REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
+REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
+REMARK 300 BURIED SURFACE AREA.                                                 
+REMARK 350                                                                      
+REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
+REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
+REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
+REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
+REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
+REMARK 350                                                                      
+REMARK 350 BIOMOLECULE: 1                                                       
+REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
+REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
+REMARK 350 SOFTWARE USED: PISA                                                  
+REMARK 350 TOTAL BURIED SURFACE AREA: 11630 ANGSTROM**2                         
+REMARK 350 SURFACE AREA OF THE COMPLEX: 24010 ANGSTROM**2                       
+REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -98.0 KCAL/MOL                        
+REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D                            
+REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
+REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
+REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
+REMARK 500                                                                      
+REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
+REMARK 500                                                                      
+REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
+REMARK 500   C    VAL B     1     CA   HIS B     2              1.63            
+REMARK 500   C    PHE D    45     CA   GLY D    46              1.78            
+REMARK 500   CB   THR D     4     OE2  GLU D     6              2.00            
+REMARK 500   NZ   LYS D    66     O1A  HEM D   148              2.06            
+REMARK 500   OD2  ASP D    73     O    HOH D   174              2.10            
+REMARK 500   OG1  THR D     4     OE2  GLU D     6              2.19            
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
+REMARK 500                                                                      
+REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
+REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
+REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
+REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
+REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
+REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
+REMARK 500                                                                      
+REMARK 500 DISTANCE CUTOFF:                                                     
+REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
+REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
+REMARK 500                                                                      
+REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
+REMARK 500   OD2  ASP C    85     O    HOH B   204     2657     1.41            
+REMARK 500   O    HOH B   204     O    HOH C   161     2647     2.02            
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
+REMARK 500                                                                      
+REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
+REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
+REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
+REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
+REMARK 500                                                                      
+REMARK 500 STANDARD TABLE:                                                      
+REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
+REMARK 500                                                                      
+REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
+REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
+REMARK 500                                                                      
+REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
+REMARK 500    VAL A   1   N     VAL A   1   CA     -0.295                       
+REMARK 500    VAL A   1   CA    VAL A   1   CB      0.299                       
+REMARK 500    VAL A   1   CB    VAL A   1   CG1    -0.206                       
+REMARK 500    VAL A   1   CB    VAL A   1   CG2    -0.283                       
+REMARK 500    LEU A   2   CA    LEU A   2   C       0.249                       
+REMARK 500    LEU A   2   C     SER A   3   N      -0.320                       
+REMARK 500    SER A   3   N     SER A   3   CA      0.167                       
+REMARK 500    SER A   3   CB    SER A   3   OG     -0.132                       
+REMARK 500    SER A   3   C     PRO A   4   N       0.282                       
+REMARK 500    PRO A   4   N     PRO A   4   CA     -0.149                       
+REMARK 500    PRO A   4   CA    PRO A   4   CB      0.202                       
+REMARK 500    PRO A   4   C     ALA A   5   N       0.257                       
+REMARK 500    ALA A   5   N     ALA A   5   CA     -0.130                       
+REMARK 500    ALA A   5   CA    ALA A   5   CB      0.247                       
+REMARK 500    LYS A   7   N     LYS A   7   CA      0.157                       
+REMARK 500    LYS A   7   C     THR A   8   N       0.258                       
+REMARK 500    THR A   8   CA    THR A   8   CB      0.178                       
+REMARK 500    THR A   8   CB    THR A   8   OG1    -0.173                       
+REMARK 500    THR A   8   CB    THR A   8   CG2    -0.245                       
+REMARK 500    THR A   8   CA    THR A   8   C      -0.174                       
+REMARK 500    THR A   8   C     ASN A   9   N       0.179                       
+REMARK 500    VAL A  10   CB    VAL A  10   CG2    -0.179                       
+REMARK 500    VAL A  10   CA    VAL A  10   C       0.160                       
+REMARK 500    LYS A  11   N     LYS A  11   CA      0.131                       
+REMARK 500    LYS A  11   CA    LYS A  11   CB     -0.137                       
+REMARK 500    LYS A  11   CB    LYS A  11   CG     -0.196                       
+REMARK 500    LYS A  11   CG    LYS A  11   CD     -0.206                       
+REMARK 500    LYS A  11   CD    LYS A  11   CE      0.454                       
+REMARK 500    ALA A  12   N     ALA A  12   CA     -0.133                       
+REMARK 500    ALA A  12   C     ALA A  12   O       0.225                       
+REMARK 500    ALA A  13   CA    ALA A  13   C       0.201                       
+REMARK 500    TRP A  14   CA    TRP A  14   CB      0.291                       
+REMARK 500    TRP A  14   CB    TRP A  14   CG     -0.274                       
+REMARK 500    TRP A  14   CG    TRP A  14   CD1     0.306                       
+REMARK 500    TRP A  14   CD1   TRP A  14   NE1     0.158                       
+REMARK 500    TRP A  14   NE1   TRP A  14   CE2    -0.234                       
+REMARK 500    TRP A  14   CE2   TRP A  14   CZ2    -0.243                       
+REMARK 500    TRP A  14   CE2   TRP A  14   CD2     0.221                       
+REMARK 500    TRP A  14   CH2   TRP A  14   CZ2    -0.217                       
+REMARK 500    GLY A  15   CA    GLY A  15   C       0.182                       
+REMARK 500    GLY A  15   C     GLY A  15   O       0.437                       
+REMARK 500    GLY A  15   C     LYS A  16   N      -0.418                       
+REMARK 500    LYS A  16   CB    LYS A  16   CG      0.164                       
+REMARK 500    LYS A  16   CG    LYS A  16   CD      0.488                       
+REMARK 500    LYS A  16   CD    LYS A  16   CE      0.410                       
+REMARK 500    LYS A  16   C     LYS A  16   O      -0.149                       
+REMARK 500    LYS A  16   C     VAL A  17   N       0.180                       
+REMARK 500    VAL A  17   N     VAL A  17   CA     -0.191                       
+REMARK 500    VAL A  17   CA    VAL A  17   CB     -0.168                       
+REMARK 500    VAL A  17   CA    VAL A  17   C       0.432                       
+REMARK 500                                                                      
+REMARK 500 THIS ENTRY HAS    1271 BOND DEVIATIONS.                              
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
+REMARK 500                                                                      
+REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
+REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
+REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
+REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
+REMARK 500                                                                      
+REMARK 500 STANDARD TABLE:                                                      
+REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
+REMARK 500                                                                      
+REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
+REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
+REMARK 500                                                                      
+REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
+REMARK 500    VAL A   1   CG1 -  CB  -  CG2 ANGL. DEV. =  27.5 DEGREES          
+REMARK 500    VAL A   1   CA  -  CB  -  CG2 ANGL. DEV. = -25.9 DEGREES          
+REMARK 500    VAL A   1   CA  -  C   -  N   ANGL. DEV. = -13.3 DEGREES          
+REMARK 500    VAL A   1   O   -  C   -  N   ANGL. DEV. =  12.7 DEGREES          
+REMARK 500    LEU A   2   C   -  N   -  CA  ANGL. DEV. = -20.6 DEGREES          
+REMARK 500    LEU A   2   N   -  CA  -  CB  ANGL. DEV. = -17.9 DEGREES          
+REMARK 500    LEU A   2   CB  -  CG  -  CD1 ANGL. DEV. =  13.0 DEGREES          
+REMARK 500    LEU A   2   CA  -  C   -  O   ANGL. DEV. = -21.8 DEGREES          
+REMARK 500    LEU A   2   O   -  C   -  N   ANGL. DEV. =  30.2 DEGREES          
+REMARK 500    SER A   3   N   -  CA  -  CB  ANGL. DEV. =  -9.7 DEGREES          
+REMARK 500    SER A   3   CA  -  C   -  O   ANGL. DEV. =  15.9 DEGREES          
+REMARK 500    SER A   3   O   -  C   -  N   ANGL. DEV. = -14.6 DEGREES          
+REMARK 500    PRO A   4   C   -  N   -  CA  ANGL. DEV. = -14.1 DEGREES          
+REMARK 500    PRO A   4   C   -  N   -  CD  ANGL. DEV. = -18.4 DEGREES          
+REMARK 500    PRO A   4   CB  -  CA  -  C   ANGL. DEV. = -30.7 DEGREES          
+REMARK 500    PRO A   4   CA  -  CB  -  CG  ANGL. DEV. = -15.7 DEGREES          
+REMARK 500    PRO A   4   N   -  CD  -  CG  ANGL. DEV. = -12.4 DEGREES          
+REMARK 500    PRO A   4   O   -  C   -  N   ANGL. DEV. =  -9.9 DEGREES          
+REMARK 500    ALA A   5   CB  -  CA  -  C   ANGL. DEV. = -10.8 DEGREES          
+REMARK 500    ASP A   6   CB  -  CG  -  OD1 ANGL. DEV. =   6.5 DEGREES          
+REMARK 500    ASP A   6   CB  -  CG  -  OD2 ANGL. DEV. =  -8.8 DEGREES          
+REMARK 500    ASP A   6   O   -  C   -  N   ANGL. DEV. =  14.8 DEGREES          
+REMARK 500    LYS A   7   C   -  N   -  CA  ANGL. DEV. = -20.2 DEGREES          
+REMARK 500    LYS A   7   N   -  CA  -  CB  ANGL. DEV. = -13.5 DEGREES          
+REMARK 500    LYS A   7   CD  -  CE  -  NZ  ANGL. DEV. = -27.4 DEGREES          
+REMARK 500    LYS A   7   N   -  CA  -  C   ANGL. DEV. =  22.1 DEGREES          
+REMARK 500    LYS A   7   CA  -  C   -  N   ANGL. DEV. = -20.1 DEGREES          
+REMARK 500    THR A   8   C   -  N   -  CA  ANGL. DEV. = -15.7 DEGREES          
+REMARK 500    THR A   8   CA  -  CB  -  CG2 ANGL. DEV. = -10.7 DEGREES          
+REMARK 500    THR A   8   CA  -  C   -  O   ANGL. DEV. =  21.3 DEGREES          
+REMARK 500    VAL A  10   O   -  C   -  N   ANGL. DEV. =  11.4 DEGREES          
+REMARK 500    ALA A  12   C   -  N   -  CA  ANGL. DEV. = -22.9 DEGREES          
+REMARK 500    ALA A  12   CB  -  CA  -  C   ANGL. DEV. = -29.5 DEGREES          
+REMARK 500    ALA A  12   N   -  CA  -  CB  ANGL. DEV. = -14.5 DEGREES          
+REMARK 500    ALA A  12   O   -  C   -  N   ANGL. DEV. = -25.9 DEGREES          
+REMARK 500    ALA A  13   O   -  C   -  N   ANGL. DEV. =  13.6 DEGREES          
+REMARK 500    TRP A  14   CA  -  CB  -  CG  ANGL. DEV. = -22.4 DEGREES          
+REMARK 500    TRP A  14   CG  -  CD1 -  NE1 ANGL. DEV. = -13.5 DEGREES          
+REMARK 500    TRP A  14   CD1 -  NE1 -  CE2 ANGL. DEV. =  19.8 DEGREES          
+REMARK 500    TRP A  14   NE1 -  CE2 -  CZ2 ANGL. DEV. =  11.2 DEGREES          
+REMARK 500    TRP A  14   CH2 -  CZ2 -  CE2 ANGL. DEV. =  13.2 DEGREES          
+REMARK 500    GLY A  15   C   -  N   -  CA  ANGL. DEV. = -19.0 DEGREES          
+REMARK 500    GLY A  15   N   -  CA  -  C   ANGL. DEV. = -24.3 DEGREES          
+REMARK 500    GLY A  15   CA  -  C   -  O   ANGL. DEV. = -21.6 DEGREES          
+REMARK 500    GLY A  15   CA  -  C   -  N   ANGL. DEV. =  25.6 DEGREES          
+REMARK 500    GLY A  15   O   -  C   -  N   ANGL. DEV. =  -9.9 DEGREES          
+REMARK 500    LYS A  16   C   -  N   -  CA  ANGL. DEV. =  15.1 DEGREES          
+REMARK 500    LYS A  16   N   -  CA  -  CB  ANGL. DEV. =  14.8 DEGREES          
+REMARK 500    LYS A  16   CG  -  CD  -  CE  ANGL. DEV. = -48.6 DEGREES          
+REMARK 500    LYS A  16   CD  -  CE  -  NZ  ANGL. DEV. =  17.9 DEGREES          
+REMARK 500                                                                      
+REMARK 500 THIS ENTRY HAS    1481 ANGLE DEVIATIONS.                             
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: TORSION ANGLES                                             
+REMARK 500                                                                      
+REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
+REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
+REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
+REMARK 500                                                                      
+REMARK 500 STANDARD TABLE:                                                      
+REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
+REMARK 500                                                                      
+REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
+REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
+REMARK 500                                                                      
+REMARK 500  M RES CSSEQI        PSI       PHI                                   
+REMARK 500    SER A   3     -176.01    -60.80                                   
+REMARK 500    LYS A  16      -55.41     -1.55                                   
+REMARK 500    ALA A  21      -76.55    -47.40                                   
+REMARK 500    LEU A  48       40.81   -103.90                                   
+REMARK 500    SER A  52      150.87    -47.80                                   
+REMARK 500    HIS A 122      -70.12    -41.02                                   
+REMARK 500    THR B   4     -176.32    -55.07                                   
+REMARK 500    GLU B   7      -71.39    -64.26                                   
+REMARK 500    PHE B  45       -9.16    -52.07                                   
+REMARK 500    ASN B  80       59.72   -142.35                                   
+REMARK 500    TYR B 145      130.62    -35.71                                   
+REMARK 500    SER C   3      172.94    -57.29                                   
+REMARK 500    VAL C  17      -70.34    -65.44                                   
+REMARK 500    LEU C  48       32.06    -92.63                                   
+REMARK 500    ASP C  75       72.45   -151.27                                   
+REMARK 500    LYS C  90      -77.18   -122.52                                   
+REMARK 500    LEU C 113       71.25   -107.78                                   
+REMARK 500    LEU D   3     -163.80   -100.24                                   
+REMARK 500    ASN D  19       94.43    -63.05                                   
+REMARK 500    GLN D  39        0.49    -67.48                                   
+REMARK 500    SER D  72      -71.73    -40.75                                   
+REMARK 500    ASP D  73      -43.09    -22.67                                   
+REMARK 500    ALA D  76        7.73    -63.28                                   
+REMARK 500    HIS D  77       62.58   -172.71                                   
+REMARK 500    LEU D  78      -50.86    -25.69                                   
+REMARK 500    ASN D  80       85.05   -167.04                                   
+REMARK 500    HIS D  97       35.26     76.08                                   
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
+REMARK 500                                                                      
+REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
+REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
+REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
+REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
+REMARK 500                                 MODEL     OMEGA                      
+REMARK 500 GLY A   18     ALA A   19                 -145.49                    
+REMARK 500 SER B   49     THR B   50                  113.74                    
+REMARK 500 LEU D    3     THR D    4                  148.65                    
+REMARK 500 VAL D   18     ASN D   19                  148.41                    
+REMARK 500 LEU D   48     SER D   49                 -144.37                    
+REMARK 500 SER D   49     THR D   50                  143.57                    
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
+REMARK 500                                                                      
+REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
+REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
+REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
+REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
+REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
+REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
+REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
+REMARK 500                                                                      
+REMARK 500  M RES CSSEQI        RMS     TYPE                                    
+REMARK 500    HIS A  20         0.17    SIDE CHAIN                              
+REMARK 500    GLU A  23         0.25    SIDE CHAIN                              
+REMARK 500    TYR A  24         0.10    SIDE CHAIN                              
+REMARK 500    PHE A  36         0.09    SIDE CHAIN                              
+REMARK 500    HIS A  45         0.11    SIDE CHAIN                              
+REMARK 500    HIS A  50         0.20    SIDE CHAIN                              
+REMARK 500    GLN A  54         0.10    SIDE CHAIN                              
+REMARK 500    ASP A  64         0.14    SIDE CHAIN                              
+REMARK 500    HIS A  72         0.24    SIDE CHAIN                              
+REMARK 500    ASN A  78         0.08    SIDE CHAIN                              
+REMARK 500    ASP A  85         0.09    SIDE CHAIN                              
+REMARK 500    ARG A  92         0.08    SIDE CHAIN                              
+REMARK 500    ASP A 126         0.10    SIDE CHAIN                              
+REMARK 500    ARG A 141         0.08    SIDE CHAIN                              
+REMARK 500    HIS B   2         0.16    SIDE CHAIN                              
+REMARK 500    GLU B   6         0.16    SIDE CHAIN                              
+REMARK 500    ASN B  19         0.08    SIDE CHAIN                              
+REMARK 500    ASP B  21         0.15    SIDE CHAIN                              
+REMARK 500    GLU B  22         0.51    SIDE CHAIN                              
+REMARK 500    GLU B  26         0.38    SIDE CHAIN                              
+REMARK 500    ASP B  47         0.14    SIDE CHAIN                              
+REMARK 500    ASP B  52         0.19    SIDE CHAIN                              
+REMARK 500    HIS B  63         0.11    SIDE CHAIN                              
+REMARK 500    ASP B  79         0.11    SIDE CHAIN                              
+REMARK 500    ASN B  80         0.20    SIDE CHAIN                              
+REMARK 500    GLU B  90         0.15    SIDE CHAIN                              
+REMARK 500    ARG B 104         0.39    SIDE CHAIN                              
+REMARK 500    HIS B 117         0.22    SIDE CHAIN                              
+REMARK 500    PHE B 118         0.13    SIDE CHAIN                              
+REMARK 500    GLU B 121         0.26    SIDE CHAIN                              
+REMARK 500    HIS B 143         0.10    SIDE CHAIN                              
+REMARK 500    HIS B 146         0.31    SIDE CHAIN                              
+REMARK 500    ASN C   9         0.08    SIDE CHAIN                              
+REMARK 500    HIS C  20         0.14    SIDE CHAIN                              
+REMARK 500    GLU C  23         0.30    SIDE CHAIN                              
+REMARK 500    HIS C  45         0.10    SIDE CHAIN                              
+REMARK 500    PHE C  46         0.10    SIDE CHAIN                              
+REMARK 500    ASP C  47         0.15    SIDE CHAIN                              
+REMARK 500    ASP C  64         0.08    SIDE CHAIN                              
+REMARK 500    ASP C  75         0.07    SIDE CHAIN                              
+REMARK 500    ASN C  78         0.11    SIDE CHAIN                              
+REMARK 500    ARG C  92         0.20    SIDE CHAIN                              
+REMARK 500    GLU C 116         0.09    SIDE CHAIN                              
+REMARK 500    ASP C 126         0.11    SIDE CHAIN                              
+REMARK 500    ARG C 141         0.08    SIDE CHAIN                              
+REMARK 500    HIS D   2         0.10    SIDE CHAIN                              
+REMARK 500    GLU D   6         0.17    SIDE CHAIN                              
+REMARK 500    GLU D   7         0.10    SIDE CHAIN                              
+REMARK 500    ASN D  19         0.38    SIDE CHAIN                              
+REMARK 500    ASP D  21         0.18    SIDE CHAIN                              
+REMARK 500                                                                      
+REMARK 500 THIS ENTRY HAS      71 PLANE DEVIATIONS.                             
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
+REMARK 500                                                                      
+REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
+REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
+REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
+REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
+REMARK 500 I=INSERTION CODE).                                                   
+REMARK 500                                                                      
+REMARK 500  M RES CSSEQI        ANGLE                                           
+REMARK 500    VAL A   1        -12.66                                           
+REMARK 500    SER A   3        -13.96                                           
+REMARK 500    PRO A   4        -17.06                                           
+REMARK 500    ASN A   9         10.02                                           
+REMARK 500    LYS A  11        -14.58                                           
+REMARK 500    ALA A  12        -29.94                                           
+REMARK 500    GLY A  15         25.08                                           
+REMARK 500    ALA A  19        -16.87                                           
+REMARK 500    ALA A  21         26.61                                           
+REMARK 500    GLY A  22         15.67                                           
+REMARK 500    THR A  41         10.65                                           
+REMARK 500    PHE A  46        -10.97                                           
+REMARK 500    LEU A  48        -25.01                                           
+REMARK 500    SER A  52        -10.23                                           
+REMARK 500    LYS A  56         14.67                                           
+REMARK 500    GLY A  59        -10.71                                           
+REMARK 500    LYS A  61        -11.09                                           
+REMARK 500    ALA A  63        -17.65                                           
+REMARK 500    ASP A  74         18.25                                           
+REMARK 500    ASP A  75        -17.03                                           
+REMARK 500    MET A  76        -10.23                                           
+REMARK 500    ASN A  78        -10.93                                           
+REMARK 500    SER A  81        -10.91                                           
+REMARK 500    ALA A  82         11.29                                           
+REMARK 500    LEU A  83        -10.53                                           
+REMARK 500    ASP A  85        -12.19                                           
+REMARK 500    ALA A  88         11.87                                           
+REMARK 500    LYS A  90        -14.75                                           
+REMARK 500    ASN A  97        -10.48                                           
+REMARK 500    LYS A  99        -15.40                                           
+REMARK 500    LEU A 101        -10.99                                           
+REMARK 500    LEU A 106        -10.02                                           
+REMARK 500    ALA A 111         10.63                                           
+REMARK 500    PRO A 114        -12.36                                           
+REMARK 500    THR A 118        -18.84                                           
+REMARK 500    HIS A 122         17.52                                           
+REMARK 500    VAL B   1         34.93                                           
+REMARK 500    LEU B   3         14.19                                           
+REMARK 500    THR B   4        -16.98                                           
+REMARK 500    GLU B   7         12.85                                           
+REMARK 500    LEU B  14         12.16                                           
+REMARK 500    ASP B  21        -10.62                                           
+REMARK 500    THR B  38         14.87                                           
+REMARK 500    GLU B  43        -24.15                                           
+REMARK 500    SER B  44         54.71                                           
+REMARK 500    ASP B  47         16.37                                           
+REMARK 500    SER B  49        -74.55                                           
+REMARK 500    GLY B  56        -31.39                                           
+REMARK 500    LYS B  59        -12.59                                           
+REMARK 500    VAL B  60         10.98                                           
+REMARK 500                                                                      
+REMARK 500 THIS ENTRY HAS     130 MAIN CHAIN PLANARITY DEVIATIONS.              
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 610                                                                      
+REMARK 610 MISSING HETEROATOM                                                   
+REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
+REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
+REMARK 610 I=INSERTION CODE):                                                   
+REMARK 610   M RES C SSEQI                                                      
+REMARK 610     PO4 B  147                                                       
+REMARK 610     PO4 D  147                                                       
+REMARK 620                                                                      
+REMARK 620 METAL COORDINATION                                                   
+REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
+REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
+REMARK 620                                                                      
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
+REMARK 620                             HEM A 142  FE                            
+REMARK 620 N RES CSSEQI ATOM                                                    
+REMARK 620 1 HIS A  87   NE2                                                    
+REMARK 620 2 HEM A 142   NA  100.9                                              
+REMARK 620 3 HEM A 142   NB  100.3  86.2                                        
+REMARK 620 4 HEM A 142   NC  104.6 154.5  88.3                                  
+REMARK 620 5 HEM A 142   ND  106.5  90.3 153.2  83.5                            
+REMARK 620 N                    1     2     3     4                             
+REMARK 620                                                                      
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
+REMARK 620                             HEM B 148  FE                            
+REMARK 620 N RES CSSEQI ATOM                                                    
+REMARK 620 1 HIS B  92   NE2                                                    
+REMARK 620 2 HEM B 148   NA   97.7                                              
+REMARK 620 3 HEM B 148   NB   97.1  88.7                                        
+REMARK 620 4 HEM B 148   NC  104.0 158.3  90.0                                  
+REMARK 620 5 HEM B 148   ND  103.6  91.0 159.1  82.6                            
+REMARK 620 N                    1     2     3     4                             
+REMARK 620                                                                      
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
+REMARK 620                             HEM C 142  FE                            
+REMARK 620 N RES CSSEQI ATOM                                                    
+REMARK 620 1 HIS C  87   NE2                                                    
+REMARK 620 2 HEM C 142   NA   92.2                                              
+REMARK 620 3 HEM C 142   NB   93.3  83.8                                        
+REMARK 620 4 HEM C 142   NC  105.8 162.0  94.8                                  
+REMARK 620 5 HEM C 142   ND  103.5  88.9 161.9  87.1                            
+REMARK 620 N                    1     2     3     4                             
+REMARK 620                                                                      
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
+REMARK 620                             HEM D 148  FE                            
+REMARK 620 N RES CSSEQI ATOM                                                    
+REMARK 620 1 HIS D  92   NE2                                                    
+REMARK 620 2 HEM D 148   NA   90.2                                              
+REMARK 620 3 HEM D 148   NB  102.2  88.3                                        
+REMARK 620 4 HEM D 148   NC  109.1 160.5  84.5                                  
+REMARK 620 5 HEM D 148   ND   97.7  89.1 159.9  91.4                            
+REMARK 620 N                    1     2     3     4                             
+REMARK 800                                                                      
+REMARK 800 SITE                                                                 
+REMARK 800 SITE_IDENTIFIER: AC1                                                 
+REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 D 147                 
+REMARK 800                                                                      
+REMARK 800 SITE_IDENTIFIER: AC2                                                 
+REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 B 147                 
+REMARK 800                                                                      
+REMARK 800 SITE_IDENTIFIER: AC3                                                 
+REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 142                 
+REMARK 800                                                                      
+REMARK 800 SITE_IDENTIFIER: AC4                                                 
+REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM B 148                 
+REMARK 800                                                                      
+REMARK 800 SITE_IDENTIFIER: AC5                                                 
+REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM C 142                 
+REMARK 800                                                                      
+REMARK 800 SITE_IDENTIFIER: AC6                                                 
+REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM D 148                 
+REMARK 900                                                                      
+REMARK 900 RELATED ENTRIES                                                      
+REMARK 900 RELATED ID: 2HHB   RELATED DB: PDB                                   
+REMARK 900 REFINED BY THE METHOD OF JACK AND LEVITT. THIS ENTRY PRESENTS THE    
+REMARK 900 BEST ESTIMATE OF THE COORDINATES.                                    
+REMARK 900 RELATED ID: 3HHB   RELATED DB: PDB                                   
+REMARK 900 SYMMETRY AVERAGED ABOUT THE (NON-CRYSTALLOGRAPHIC) MOLECULAR AXIS    
+REMARK 900 AND THEN RE-REGULARIZED BY THE ENERGY REFINEMENT METHOD OF LEVITT.   
+REMARK 900 THIS ENTRY PRESENTS COORDINATES THAT ARE ADEQUATE FOR MOST PURPOSES, 
+REMARK 900 SUCH AS COMPARISON WITH OTHER STRUCTURES.                            
+REMARK 900 RELATED ID: 1GLI   RELATED DB: PDB                                   
+DBREF  4HHB A    1   141  UNP    P69905   HBA_HUMAN        2    142             
+DBREF  4HHB B    1   146  UNP    P68871   HBB_HUMAN        2    147             
+DBREF  4HHB C    1   141  UNP    P69905   HBA_HUMAN        2    142             
+DBREF  4HHB D    1   146  UNP    P68871   HBB_HUMAN        2    147             
+SEQRES   1 A  141  VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA          
+SEQRES   2 A  141  TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA          
+SEQRES   3 A  141  GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR          
+SEQRES   4 A  141  LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER          
+SEQRES   5 A  141  ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA          
+SEQRES   6 A  141  LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN          
+SEQRES   7 A  141  ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU          
+SEQRES   8 A  141  ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS          
+SEQRES   9 A  141  LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE          
+SEQRES  10 A  141  THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA          
+SEQRES  11 A  141  SER VAL SER THR VAL LEU THR SER LYS TYR ARG                  
+SEQRES   1 B  146  VAL HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA          
+SEQRES   2 B  146  LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU          
+SEQRES   3 B  146  ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TRP THR GLN          
+SEQRES   4 B  146  ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP          
+SEQRES   5 B  146  ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS          
+SEQRES   6 B  146  LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU          
+SEQRES   7 B  146  ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU          
+SEQRES   8 B  146  HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG          
+SEQRES   9 B  146  LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS          
+SEQRES  10 B  146  PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR          
+SEQRES  11 B  146  GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS          
+SEQRES  12 B  146  LYS TYR HIS                                                  
+SEQRES   1 C  141  VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA          
+SEQRES   2 C  141  TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA          
+SEQRES   3 C  141  GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR          
+SEQRES   4 C  141  LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER          
+SEQRES   5 C  141  ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA          
+SEQRES   6 C  141  LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN          
+SEQRES   7 C  141  ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU          
+SEQRES   8 C  141  ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS          
+SEQRES   9 C  141  LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE          
+SEQRES  10 C  141  THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA          
+SEQRES  11 C  141  SER VAL SER THR VAL LEU THR SER LYS TYR ARG                  
+SEQRES   1 D  146  VAL HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA          
+SEQRES   2 D  146  LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU          
+SEQRES   3 D  146  ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TRP THR GLN          
+SEQRES   4 D  146  ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP          
+SEQRES   5 D  146  ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS          
+SEQRES   6 D  146  LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU          
+SEQRES   7 D  146  ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU          
+SEQRES   8 D  146  HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG          
+SEQRES   9 D  146  LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS          
+SEQRES  10 D  146  PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR          
+SEQRES  11 D  146  GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS          
+SEQRES  12 D  146  LYS TYR HIS                                                  
+HET    HEM  A 142      43                                                       
+HET    PO4  B 147       1                                                       
+HET    HEM  B 148      43                                                       
+HET    HEM  C 142      43                                                       
+HET    PO4  D 147       1                                                       
+HET    HEM  D 148      43                                                       
+HETNAM     HEM PROTOPORPHYRIN IX CONTAINING FE                                  
+HETNAM     PO4 PHOSPHATE ION                                                    
+HETSYN     HEM HEME                                                             
+FORMUL   5  HEM    4(C34 H32 FE N4 O4)                                          
+FORMUL   6  PO4    2(O4 P 3-)                                                   
+FORMUL  11  HOH   *221(H2 O)                                                    
+HELIX    1  AA SER A    3  GLY A   18  1                                  16    
+HELIX    2  AB HIS A   20  SER A   35  1                                  16    
+HELIX    3  AC PHE A   36  TYR A   42  1                                   7    
+HELIX    4  AD HIS A   50  GLY A   51  1DEGEN 2 RES HLX RETAIN HOMOL       2    
+HELIX    5  AE SER A   52  ALA A   71  1                                  20    
+HELIX    6  AF LEU A   80  ALA A   88  1                                   9    
+HELIX    7  AG ASP A   94  HIS A  112  1                                  19    
+HELIX    8  AH THR A  118  SER A  138  1                                  21    
+HELIX    9  BA THR B    4  VAL B   18  1                                  15    
+HELIX   10  BB ASN B   19  VAL B   34  1                                  16    
+HELIX   11  BC TYR B   35  PHE B   41  1                                   7    
+HELIX   12  BD THR B   50  GLY B   56  1                                   7    
+HELIX   13  BE ASN B   57  ALA B   76  1                                  20    
+HELIX   14  BF PHE B   85  CYS B   93  1                                   9    
+HELIX   15  BG ASP B   99  HIS B  117  1                                  19    
+HELIX   16  BH THR B  123  HIS B  143  1                                  21    
+HELIX   17  CA SER C    3  GLY C   18  1                                  16    
+HELIX   18  CB HIS C   20  SER C   35  1                                  16    
+HELIX   19  CC PHE C   36  TYR C   42  1                                   7    
+HELIX   20  CD HIS C   50  GLY C   51  1DEGEN 2 RES HLX RETAIN HOMOL       2    
+HELIX   21  CE SER C   52  ALA C   71  1                                  20    
+HELIX   22  CF LEU C   80  ALA C   88  1                                   9    
+HELIX   23  CG ASP C   94  HIS C  112  1                                  19    
+HELIX   24  CH THR C  118  SER C  138  1                                  21    
+HELIX   25  DA THR D    4  VAL D   18  1                                  15    
+HELIX   26  DB ASN D   19  VAL D   34  1                                  16    
+HELIX   27  DC TYR D   35  PHE D   41  1                                   7    
+HELIX   28  DD THR D   50  GLY D   56  1                                   7    
+HELIX   29  DE ASN D   57  ALA D   76  1                                  20    
+HELIX   30  DF PHE D   85  CYS D   93  1                                   9    
+HELIX   31  DG ASP D   99  HIS D  117  1                                  19    
+HELIX   32  DH THR D  123  HIS D  143  1                                  21    
+LINK         NE2 HIS A  87                FE   HEM A 142     1555   1555  2.14  
+LINK         NE2 HIS B  92                FE   HEM B 148     1555   1555  2.22  
+LINK         NE2 HIS C  87                FE   HEM C 142     1555   1555  2.26  
+LINK         NE2 HIS D  92                FE   HEM D 148     1555   1555  1.98  
+SITE     1 AC1  1 VAL D   1                                                     
+SITE     1 AC2  1 HOH B 197                                                     
+SITE     1 AC3 16 TYR A  42  PHE A  43  HIS A  45  PHE A  46                    
+SITE     2 AC3 16 HIS A  58  LYS A  61  LEU A  86  HIS A  87                    
+SITE     3 AC3 16 LEU A  91  VAL A  93  ASN A  97  PHE A  98                    
+SITE     4 AC3 16 LEU A 101  LEU A 136  HOH A 144  HOH A 159                    
+SITE     1 AC4 13 ALA A  53  HOH A 145  PHE B  41  HIS B  63                    
+SITE     2 AC4 13 LYS B  66  VAL B  67  HIS B  92  LEU B  96                    
+SITE     3 AC4 13 ASN B 102  PHE B 103  LEU B 141  HOH B 175                    
+SITE     4 AC4 13 HOH B 193                                                     
+SITE     1 AC5 15 TYR C  42  PHE C  43  HIS C  45  HIS C  58                    
+SITE     2 AC5 15 LYS C  61  LEU C  83  LEU C  86  HIS C  87                    
+SITE     3 AC5 15 LEU C  91  VAL C  93  ASN C  97  PHE C  98                    
+SITE     4 AC5 15 LEU C 136  HOH C 149  HOH C 164                               
+SITE     1 AC6  7 HIS D  63  LYS D  66  VAL D  67  HIS D  92                    
+SITE     2 AC6  7 LEU D  96  ASN D 102  LEU D 141                               
+CRYST1   63.150   83.590   53.800  90.00  99.34  90.00 P 1 21 1      4          
+ORIGX1      0.963457  0.136613  0.230424       16.61000                         
+ORIGX2     -0.158977  0.983924  0.081383       13.72000                         
+ORIGX3     -0.215598 -0.115048  0.969683       37.65000                         
+SCALE1      0.015462  0.002192  0.003698        0.26656                         
+SCALE2     -0.001902  0.011771  0.000974        0.16413                         
+SCALE3     -0.001062 -0.001721  0.018728        0.75059                         
+MTRIX1   1 -1.000000  0.000000  0.000000        0.00001    1                    
+MTRIX2   1  0.000000  1.000000  0.000000        0.00002    1                    
+MTRIX3   1  0.000000  0.000000 -1.000000        0.00002    1                    
+ATOM      1  N   VAL A   1       6.204  16.869   4.854  1.00 49.05           N  
+ATOM      2  CA  VAL A   1       6.913  17.759   4.607  1.00 43.14           C  
+ATOM      3  C   VAL A   1       8.504  17.378   4.797  1.00 24.80           C  
+ATOM      4  O   VAL A   1       8.805  17.011   5.943  1.00 37.68           O  
+ATOM      5  CB  VAL A   1       6.369  19.044   5.810  1.00 72.12           C  
+ATOM      6  CG1 VAL A   1       7.009  20.127   5.418  1.00 61.79           C  
+ATOM      7  CG2 VAL A   1       5.246  18.533   5.681  1.00 80.12           C  
+ATOM      8  N   LEU A   2       9.096  18.040   3.857  1.00 26.44           N  
+ATOM      9  CA  LEU A   2      10.600  17.889   4.283  1.00 26.32           C  
+ATOM     10  C   LEU A   2      11.265  19.184   5.297  1.00 32.96           C  
+ATOM     11  O   LEU A   2      10.813  20.177   4.647  1.00 31.90           O  
+ATOM     12  CB  LEU A   2      11.099  18.007   2.815  1.00 29.23           C  
+ATOM     13  CG  LEU A   2      11.322  16.956   1.934  1.00 37.71           C  
+ATOM     14  CD1 LEU A   2      11.468  15.596   2.337  1.00 39.10           C  
+ATOM     15  CD2 LEU A   2      11.423  17.268   0.300  1.00 37.47           C  
+ATOM     16  N   SER A   3      11.584  18.730   6.148  1.00 28.01           N  
+ATOM     17  CA  SER A   3      12.263  19.871   7.087  1.00 26.03           C  
+ATOM     18  C   SER A   3      13.304  20.329   6.300  1.00 25.99           C  
+ATOM     19  O   SER A   3      14.085  19.818   5.364  1.00 25.98           O  
+ATOM     20  CB  SER A   3      12.744  19.045   8.223  1.00 23.41           C  
+ATOM     21  OG  SER A   3      13.781  18.286   8.179  1.00 30.00           O  
+ATOM     22  N   PRO A   4      14.196  21.422   7.097  1.00 37.49           N  
+ATOM     23  CA  PRO A   4      15.048  21.890   6.206  1.00 38.81           C  
+ATOM     24  C   PRO A   4      16.464  21.282   6.288  1.00 25.63           C  
+ATOM     25  O   PRO A   4      17.212  20.899   5.409  1.00 34.38           O  
+ATOM     26  CB  PRO A   4      15.814  23.113   7.166  1.00 50.44           C  
+ATOM     27  CG  PRO A   4      14.493  23.536   7.638  1.00 43.42           C  
+ATOM     28  CD  PRO A   4      13.298  22.523   7.651  1.00 42.77           C  
+ATOM     29  N   ALA A   5      16.399  20.279   7.524  1.00 24.33           N  
+ATOM     30  CA  ALA A   5      17.552  19.622   7.588  1.00 24.06           C  
+ATOM     31  C   ALA A   5      17.376  18.283   6.601  1.00 20.01           C  
+ATOM     32  O   ALA A   5      18.422  17.849   6.010  1.00 24.46           O  
+ATOM     33  CB  ALA A   5      17.454  18.830   9.164  1.00 28.15           C  
+ATOM     34  N   ASP A   6      16.050  17.799   6.298  1.00 21.19           N  
+ATOM     35  CA  ASP A   6      15.881  16.887   5.120  1.00 23.14           C  
+ATOM     36  C   ASP A   6      16.573  17.497   3.915  1.00 15.75           C  
+ATOM     37  O   ASP A   6      17.240  16.611   3.235  1.00 18.92           O  
+ATOM     38  CB  ASP A   6      14.530  16.515   4.983  1.00 18.68           C  
+ATOM     39  CG  ASP A   6      13.966  15.638   6.125  1.00 21.70           C  
+ATOM     40  OD1 ASP A   6      14.573  14.751   6.678  1.00 19.76           O  
+ATOM     41  OD2 ASP A   6      12.734  15.931   6.321  1.00 21.26           O  
+ATOM     42  N   LYS A   7      16.082  18.800   3.719  1.00 15.62           N  
+ATOM     43  CA  LYS A   7      16.897  19.255   2.400  1.00 26.74           C  
+ATOM     44  C   LYS A   7      18.354  19.319   2.072  1.00 24.82           C  
+ATOM     45  O   LYS A   7      18.858  18.855   1.145  1.00 21.36           O  
+ATOM     46  CB  LYS A   7      16.022  20.503   2.054  1.00 28.73           C  
+ATOM     47  CG  LYS A   7      14.518  20.443   2.287  1.00 34.11           C  
+ATOM     48  CD  LYS A   7      13.833  21.967   2.124  1.00 46.50           C  
+ATOM     49  CE  LYS A   7      12.524  21.830   2.733  1.00 40.75           C  
+ATOM     50  NZ  LYS A   7      12.310  23.286   2.231  1.00 50.05           N  
+ATOM     51  N   THR A   8      18.879  19.583   3.554  1.00 20.80           N  
+ATOM     52  CA  THR A   8      20.359  19.452   3.495  1.00 23.21           C  
+ATOM     53  C   THR A   8      21.000  18.322   3.125  1.00 17.85           C  
+ATOM     54  O   THR A   8      21.907  17.957   2.500  1.00 20.04           O  
+ATOM     55  CB  THR A   8      20.762  20.269   4.939  1.00 31.90           C  
+ATOM     56  OG1 THR A   8      20.363  21.458   4.886  1.00 31.01           O  
+ATOM     57  CG2 THR A   8      22.026  20.115   4.978  1.00 43.78           C  
+ATOM     58  N   ASN A   9      20.249  17.203   3.818  1.00 16.13           N  
+ATOM     59  CA  ASN A   9      20.591  15.889   3.728  1.00 17.84           C  
+ATOM     60  C   ASN A   9      20.630  15.286   2.184  1.00 14.45           C  
+ATOM     61  O   ASN A   9      21.319  14.475   1.822  1.00 21.78           O  
+ATOM     62  CB  ASN A   9      19.836  14.946   4.644  1.00 20.10           C  
+ATOM     63  CG  ASN A   9      20.193  15.272   6.089  1.00 34.82           C  
+ATOM     64  OD1 ASN A   9      21.294  15.680   6.444  1.00 26.93           O  
+ATOM     65  ND2 ASN A   9      19.527  14.719   6.950  1.00 28.08           N  
+ATOM     66  N   VAL A  10      19.435  15.546   1.583  1.00 19.64           N  
+ATOM     67  CA  VAL A  10      19.157  15.110   0.179  1.00 13.04           C  
+ATOM     68  C   VAL A  10      20.341  15.904  -0.719  1.00 18.71           C  
+ATOM     69  O   VAL A  10      20.832  15.221  -1.618  1.00 22.34           O  
+ATOM     70  CB  VAL A  10      17.776  15.394  -0.119  1.00 19.07           C  
+ATOM     71  CG1 VAL A  10      17.623  15.138  -1.549  1.00 21.59           C  
+ATOM     72  CG2 VAL A  10      16.816  14.756   0.575  1.00 22.75           C  
+ATOM     73  N   LYS A  11      20.392  17.201  -0.404  1.00 18.31           N  
+ATOM     74  CA  LYS A  11      21.297  18.030  -1.415  1.00 24.80           C  
+ATOM     75  C   LYS A  11      22.762  17.451  -1.066  1.00 19.51           C  
+ATOM     76  O   LYS A  11      23.584  17.190  -2.069  1.00 22.33           O  
+ATOM     77  CB  LYS A  11      21.334  19.381  -1.059  1.00 39.77           C  
+ATOM     78  CG  LYS A  11      20.229  20.052  -1.350  1.00 34.41           C  
+ATOM     79  CD  LYS A  11      20.256  21.365  -1.389  1.00 46.95           C  
+ATOM     80  CE  LYS A  11      18.633  21.891  -2.358  1.00 49.55           C  
+ATOM     81  NZ  LYS A  11      18.398  23.088  -1.720  1.00 78.67           N  
+ATOM     82  N   ALA A  12      23.031  16.766   0.069  1.00 20.60           N  
+ATOM     83  CA  ALA A  12      24.347  16.671  -0.059  1.00 25.98           C  
+ATOM     84  C   ALA A  12      24.529  15.278  -0.129  1.00 38.04           C  
+ATOM     85  O   ALA A  12      25.505  14.711  -1.045  1.00 31.19           O  
+ATOM     86  CB  ALA A  12      24.641  16.359   1.529  1.00 28.13           C  
+ATOM     87  N   ALA A  13      23.581  14.281  -0.261  1.00 21.69           N  
+ATOM     88  CA  ALA A  13      23.822  13.010  -0.701  1.00 19.11           C  
+ATOM     89  C   ALA A  13      23.807  12.890  -2.423  1.00 22.93           C  
+ATOM     90  O   ALA A  13      24.517  12.116  -2.938  1.00 24.98           O  
+ATOM     91  CB  ALA A  13      22.612  12.109  -0.160  1.00 23.17           C  
+ATOM     92  N   TRP A  14      22.807  13.763  -2.832  1.00 22.14           N  
+ATOM     93  CA  TRP A  14      22.715  13.681  -4.311  1.00 21.27           C  
+ATOM     94  C   TRP A  14      24.007  14.453  -5.015  1.00 28.97           C  
+ATOM     95  O   TRP A  14      24.452  13.999  -6.086  1.00 27.61           O  
+ATOM     96  CB  TRP A  14      21.129  14.484  -4.728  1.00 29.00           C  
+ATOM     97  CG  TRP A  14      21.116  13.951  -5.830  1.00 25.79           C  
+ATOM     98  CD1 TRP A  14      21.182  14.904  -7.199  1.00 22.38           C  
+ATOM     99  CD2 TRP A  14      20.358  12.768  -6.306  1.00 20.46           C  
+ATOM    100  NE1 TRP A  14      20.545  13.886  -8.152  1.00 29.74           N  
+ATOM    101  CE2 TRP A  14      20.127  12.855  -7.917  1.00 27.75           C  
+ATOM    102  CE3 TRP A  14      19.993  11.556  -5.760  1.00 34.00           C  
+ATOM    103  CZ2 TRP A  14      19.685  11.924  -8.428  1.00 34.81           C  
+ATOM    104  CZ3 TRP A  14      19.443  10.605  -6.677  1.00 42.11           C  
+ATOM    105  CH2 TRP A  14      19.361  10.910  -7.988  1.00 47.54           C  
+ATOM    106  N   GLY A  15      24.563  15.294  -4.064  1.00 40.92           N  
+ATOM    107  CA  GLY A  15      25.545  16.032  -4.810  1.00 38.97           C  
+ATOM    108  C   GLY A  15      26.606  14.720  -4.643  1.00 34.61           C  
+ATOM    109  O   GLY A  15      27.532  14.956  -6.011  1.00 36.24           O  
+ATOM    110  N   LYS A  16      27.023  14.192  -4.019  1.00 35.37           N  
+ATOM    111  CA  LYS A  16      27.691  12.809  -3.990  1.00 29.09           C  
+ATOM    112  C   LYS A  16      27.692  11.980  -5.322  1.00 27.28           C  
+ATOM    113  O   LYS A  16      28.444  11.335  -5.752  1.00 36.62           O  
+ATOM    114  CB  LYS A  16      27.773  11.881  -2.758  1.00 30.47           C  
+ATOM    115  CG  LYS A  16      29.128  10.897  -2.949  1.00 47.02           C  
+ATOM    116  CD  LYS A  16      30.512  12.265  -2.454  1.00 66.41           C  
+ATOM    117  CE  LYS A  16      31.160  10.590  -3.127  1.00 65.00           C  
+ATOM    118  NZ  LYS A  16      31.293   9.343  -2.468  1.00 69.28           N  
+ATOM    119  N   VAL A  17      26.231  11.894  -5.716  1.00 40.63           N  
+ATOM    120  CA  VAL A  17      25.763  11.093  -6.580  1.00 32.19           C  
+ATOM    121  C   VAL A  17      26.644  11.417  -8.297  1.00 51.53           C  
+ATOM    122  O   VAL A  17      27.090  10.850  -8.486  1.00 36.95           O  
+ATOM    123  CB  VAL A  17      24.455  10.688  -6.704  1.00 24.77           C  
+ATOM    124  CG1 VAL A  17      24.024  10.418  -8.088  1.00 21.73           C  
+ATOM    125  CG2 VAL A  17      23.718   9.922  -5.546  1.00 23.90           C  
+ATOM    126  N   GLY A  18      26.340  12.947  -7.963  1.00 36.07           N  
+ATOM    127  CA  GLY A  18      27.063  13.723  -8.931  1.00 37.64           C  
+ATOM    128  C   GLY A  18      26.574  12.969 -10.560  1.00 27.84           C  
+ATOM    129  O   GLY A  18      25.253  13.110 -10.707  1.00 34.16           O  
+ATOM    130  N   ALA A  19      27.657  12.515 -11.022  1.00 35.70           N  
+ATOM    131  CA  ALA A  19      27.728  12.613 -12.429  1.00 37.59           C  
+ATOM    132  C   ALA A  19      27.500  10.976 -12.552  1.00 34.69           C  
+ATOM    133  O   ALA A  19      27.084  10.420 -13.842  1.00 48.59           O  
+ATOM    134  CB  ALA A  19      29.012  12.664 -13.280  1.00 46.19           C  
+ATOM    135  N   HIS A  20      27.156  10.119 -11.606  1.00 20.24           N  
+ATOM    136  CA  HIS A  20      26.883   8.665 -11.713  1.00 19.03           C  
+ATOM    137  C   HIS A  20      25.297   8.749 -11.742  1.00 17.82           C  
+ATOM    138  O   HIS A  20      24.744   7.547 -11.745  1.00 20.59           O  
+ATOM    139  CB  HIS A  20      27.211   8.007 -10.561  1.00 31.92           C  
+ATOM    140  CG  HIS A  20      28.495   7.629 -10.284  1.00 45.35           C  
+ATOM    141  ND1 HIS A  20      29.488   7.023 -11.531  1.00 52.86           N  
+ATOM    142  CD2 HIS A  20      29.445   8.698  -9.743  1.00 43.12           C  
+ATOM    143  CE1 HIS A  20      30.546   7.246 -10.801  1.00 68.75           C  
+ATOM    144  NE2 HIS A  20      30.729   7.865 -10.003  1.00 55.89           N  
+ATOM    145  N   ALA A  21      24.687   9.784 -11.799  1.00 29.55           N  
+ATOM    146  CA  ALA A  21      23.159   9.917 -11.488  1.00 29.36           C  
+ATOM    147  C   ALA A  21      22.579   8.284 -12.650  1.00 46.23           C  
+ATOM    148  O   ALA A  21      21.659   8.109 -12.129  1.00 27.88           O  
+ATOM    149  CB  ALA A  21      22.561  11.174 -11.335  1.00 28.64           C  
+ATOM    150  N   GLY A  22      22.741   9.029 -13.713  1.00 27.74           N  
+ATOM    151  CA  GLY A  22      22.302   7.955 -14.644  1.00 29.10           C  
+ATOM    152  C   GLY A  22      22.405   6.768 -14.523  1.00 40.30           C  
+ATOM    153  O   GLY A  22      21.884   5.714 -14.971  1.00 33.08           O  
+ATOM    154  N   GLU A  23      23.751   6.163 -14.331  1.00 22.76           N  
+ATOM    155  CA  GLU A  23      24.084   4.748 -14.144  1.00 14.60           C  
+ATOM    156  C   GLU A  23      23.211   4.210 -12.893  1.00 13.41           C  
+ATOM    157  O   GLU A  23      22.937   3.039 -12.842  1.00 16.24           O  
+ATOM    158  CB  GLU A  23      25.664   4.939 -13.797  1.00 20.16           C  
+ATOM    159  CG  GLU A  23      26.201   3.519 -13.776  1.00 40.65           C  
+ATOM    160  CD  GLU A  23      28.243   3.900 -13.483  1.00 70.75           C  
+ATOM    161  OE1 GLU A  23      27.931   3.380 -11.875  1.00 57.57           O  
+ATOM    162  OE2 GLU A  23      28.452   5.212 -13.971  1.00 57.46           O  
+ATOM    163  N   TYR A  24      23.179   5.044 -11.863  1.00 18.60           N  
+ATOM    164  CA  TYR A  24      22.505   4.593 -10.679  1.00 26.35           C  
+ATOM    165  C   TYR A  24      21.016   4.562 -11.095  1.00 17.67           C  
+ATOM    166  O   TYR A  24      20.360   3.603 -10.478  1.00 17.15           O  
+ATOM    167  CB  TYR A  24      22.464   5.807  -9.581  1.00 21.47           C  
+ATOM    168  CG  TYR A  24      23.992   5.643  -8.868  1.00 17.94           C  
+ATOM    169  CD1 TYR A  24      24.282   6.445  -7.897  1.00 25.54           C  
+ATOM    170  CD2 TYR A  24      24.950   4.858  -9.353  1.00 18.41           C  
+ATOM    171  CE1 TYR A  24      25.677   6.369  -7.422  1.00 27.77           C  
+ATOM    172  CE2 TYR A  24      26.305   4.768  -8.960  1.00 24.84           C  
+ATOM    173  CZ  TYR A  24      26.528   5.702  -7.748  1.00 28.92           C  
+ATOM    174  OH  TYR A  24      27.827   5.849  -7.564  1.00 33.79           O  
+ATOM    175  N   GLY A  25      20.378   5.478 -11.759  1.00 17.58           N  
+ATOM    176  CA  GLY A  25      19.016   5.420 -12.390  1.00 16.95           C  
+ATOM    177  C   GLY A  25      18.833   4.130 -12.941  1.00 12.93           C  
+ATOM    178  O   GLY A  25      17.819   3.343 -12.872  1.00 14.53           O  
+ATOM    179  N   ALA A  26      19.615   3.604 -13.915  1.00 15.78           N  
+ATOM    180  CA  ALA A  26      19.582   2.579 -14.539  1.00 18.05           C  
+ATOM    181  C   ALA A  26      19.480   1.089 -13.772  1.00 13.38           C  
+ATOM    182  O   ALA A  26      18.901   0.084 -13.805  1.00 13.68           O  
+ATOM    183  CB  ALA A  26      20.556   2.124 -15.501  1.00 21.17           C  
+ATOM    184  N   GLU A  27      20.535   1.124 -12.715  1.00 13.26           N  
+ATOM    185  CA  GLU A  27      20.575   0.021 -11.753  1.00 15.73           C  
+ATOM    186  C   GLU A  27      19.308  -0.043 -10.886  1.00  9.69           C  
+ATOM    187  O   GLU A  27      18.918  -1.164 -10.735  1.00 13.70           O  
+ATOM    188  CB  GLU A  27      21.903   0.397 -10.962  1.00 17.47           C  
+ATOM    189  CG  GLU A  27      21.998  -0.702  -9.888  1.00 16.72           C  
+ATOM    190  CD  GLU A  27      23.378  -0.554  -8.914  1.00 28.34           C  
+ATOM    191  OE1 GLU A  27      23.164  -0.938  -7.844  1.00 20.53           O  
+ATOM    192  OE2 GLU A  27      24.282   0.068  -9.385  1.00 20.32           O  
+ATOM    193  N   ALA A  28      18.802   1.101 -10.459  1.00 11.71           N  
+ATOM    194  CA  ALA A  28      17.589   1.092  -9.707  1.00 14.08           C  
+ATOM    195  C   ALA A  28      16.437   0.281 -10.410  1.00 18.50           C  
+ATOM    196  O   ALA A  28      15.609  -0.358 -10.010  1.00 12.43           O  
+ATOM    197  CB  ALA A  28      17.166   2.432  -9.252  1.00 19.09           C  
+ATOM    198  N   LEU A  29      16.400   0.918 -11.698  1.00 12.19           N  
+ATOM    199  CA  LEU A  29      15.328   0.075 -12.594  1.00 17.48           C  
+ATOM    200  C   LEU A  29      15.559  -1.439 -12.734  1.00  9.74           C  
+ATOM    201  O   LEU A  29      14.606  -2.189 -12.644  1.00 10.80           O  
+ATOM    202  CB  LEU A  29      15.302   0.859 -14.203  1.00 12.13           C  
+ATOM    203  CG  LEU A  29      14.894   2.291 -14.067  1.00 14.66           C  
+ATOM    204  CD1 LEU A  29      15.261   2.690 -15.515  1.00 16.80           C  
+ATOM    205  CD2 LEU A  29      13.402   2.225 -13.944  1.00 18.58           C  
+ATOM    206  N   GLU A  30      16.843  -1.859 -13.083  1.00  9.20           N  
+ATOM    207  CA  GLU A  30      17.065  -3.260 -13.067  1.00 11.66           C  
+ATOM    208  C   GLU A  30      16.682  -4.043 -11.806  1.00 13.48           C  
+ATOM    209  O   GLU A  30      16.222  -5.112 -11.842  1.00 17.00           O  
+ATOM    210  CB  GLU A  30      18.445  -3.450 -13.556  1.00 19.11           C  
+ATOM    211  CG  GLU A  30      18.613  -4.789 -13.421  1.00 27.23           C  
+ATOM    212  CD  GLU A  30      20.397  -5.050 -14.290  1.00 43.77           C  
+ATOM    213  OE1 GLU A  30      21.034  -4.018 -14.191  1.00 45.21           O  
+ATOM    214  OE2 GLU A  30      20.320  -6.204 -14.925  1.00 45.13           O  
+ATOM    215  N   ARG A  31      17.074  -3.325 -10.709  1.00 11.70           N  
+ATOM    216  CA  ARG A  31      16.706  -3.885  -9.384  1.00 13.69           C  
+ATOM    217  C   ARG A  31      15.116  -4.077  -9.266  1.00 13.95           C  
+ATOM    218  O   ARG A  31      14.772  -5.201  -8.729  1.00 16.42           O  
+ATOM    219  CB  ARG A  31      17.207  -3.143  -8.212  1.00  9.32           C  
+ATOM    220  CG  ARG A  31      18.786  -3.298  -8.162  1.00 14.85           C  
+ATOM    221  CD  ARG A  31      19.223  -2.383  -7.101  1.00 20.12           C  
+ATOM    222  NE  ARG A  31      20.863  -2.372  -6.759  1.00 14.83           N  
+ATOM    223  CZ  ARG A  31      21.361  -3.431  -6.210  1.00 13.22           C  
+ATOM    224  NH1 ARG A  31      20.746  -4.460  -5.716  1.00 11.40           N  
+ATOM    225  NH2 ARG A  31      22.719  -3.344  -6.301  1.00 17.34           N  
+ATOM    226  N   MET A  32      14.439  -3.020  -9.681  1.00 11.37           N  
+ATOM    227  CA  MET A  32      13.032  -3.139  -9.600  1.00 10.16           C  
+ATOM    228  C   MET A  32      12.471  -4.206 -10.484  1.00 12.10           C  
+ATOM    229  O   MET A  32      11.562  -5.027 -10.075  1.00 12.78           O  
+ATOM    230  CB  MET A  32      12.387  -1.842  -9.978  1.00 12.48           C  
+ATOM    231  CG  MET A  32      10.889  -1.620  -9.930  1.00 17.73           C  
+ATOM    232  SD  MET A  32      10.285  -0.089 -10.543  1.00 15.12           S  
+ATOM    233  CE  MET A  32      10.633  -0.449 -12.284  1.00 11.32           C  
+ATOM    234  N   PHE A  33      12.859  -4.341 -11.658  1.00 13.98           N  
+ATOM    235  CA  PHE A  33      12.423  -5.476 -12.584  1.00 16.07           C  
+ATOM    236  C   PHE A  33      12.551  -6.737 -12.305  1.00 12.29           C  
+ATOM    237  O   PHE A  33      11.788  -7.686 -12.349  1.00 14.84           O  
+ATOM    238  CB  PHE A  33      12.947  -5.237 -13.990  1.00 11.16           C  
+ATOM    239  CG  PHE A  33      12.536  -3.998 -14.641  1.00 10.01           C  
+ATOM    240  CD1 PHE A  33      11.466  -3.383 -14.673  1.00 13.62           C  
+ATOM    241  CD2 PHE A  33      13.679  -3.464 -15.536  1.00 19.46           C  
+ATOM    242  CE1 PHE A  33      11.074  -2.180 -15.483  1.00 17.65           C  
+ATOM    243  CE2 PHE A  33      13.177  -2.070 -16.087  1.00 14.83           C  
+ATOM    244  CZ  PHE A  33      12.158  -1.591 -16.095  1.00 12.93           C  
+ATOM    245  N   LEU A  34      13.735  -6.963 -11.432  1.00 16.04           N  
+ATOM    246  CA  LEU A  34      14.079  -8.337 -11.022  1.00 14.57           C  
+ATOM    247  C   LEU A  34      13.293  -8.578  -9.676  1.00 17.64           C  
+ATOM    248  O   LEU A  34      12.997  -9.724  -9.442  1.00 18.98           O  
+ATOM    249  CB  LEU A  34      15.453  -8.526 -10.814  1.00 18.08           C  
+ATOM    250  CG  LEU A  34      16.401  -8.680 -11.761  1.00 28.60           C  
+ATOM    251  CD1 LEU A  34      17.957  -8.573 -11.703  1.00 25.37           C  
+ATOM    252  CD2 LEU A  34      15.936  -9.330 -12.871  1.00 34.83           C  
+ATOM    253  N   SER A  35      13.220  -7.510  -8.706  1.00 15.41           N  
+ATOM    254  CA  SER A  35      12.815  -7.908  -7.502  1.00 14.95           C  
+ATOM    255  C   SER A  35      11.238  -7.909  -7.418  1.00 15.69           C  
+ATOM    256  O   SER A  35      10.517  -8.531  -6.585  1.00 14.29           O  
+ATOM    257  CB  SER A  35      13.131  -6.749  -6.442  1.00 13.14           C  
+ATOM    258  OG  SER A  35      14.485  -7.014  -6.085  1.00 17.78           O  
+ATOM    259  N   PHE A  36      10.680  -7.033  -8.262  1.00 13.54           N  
+ATOM    260  CA  PHE A  36       9.195  -6.850  -8.454  1.00 13.46           C  
+ATOM    261  C   PHE A  36       8.843  -6.910  -9.927  1.00  8.62           C  
+ATOM    262  O   PHE A  36       8.478  -5.788 -10.556  1.00 14.12           O  
+ATOM    263  CB  PHE A  36       8.936  -5.457  -7.919  1.00 16.50           C  
+ATOM    264  CG  PHE A  36       9.418  -4.974  -6.493  1.00 13.63           C  
+ATOM    265  CD1 PHE A  36      10.591  -4.292  -6.329  1.00 11.92           C  
+ATOM    266  CD2 PHE A  36       8.828  -5.831  -5.362  1.00 19.28           C  
+ATOM    267  CE1 PHE A  36      11.048  -4.090  -5.054  1.00 15.75           C  
+ATOM    268  CE2 PHE A  36       9.372  -5.629  -4.112  1.00 13.78           C  
+ATOM    269  CZ  PHE A  36      10.535  -4.872  -4.007  1.00 15.33           C  
+ATOM    270  N   PRO A  37       8.621  -8.156 -10.145  1.00 14.18           N  
+ATOM    271  CA  PRO A  37       8.292  -8.333 -11.715  1.00 17.12           C  
+ATOM    272  C   PRO A  37       7.088  -7.804 -12.224  1.00 17.85           C  
+ATOM    273  O   PRO A  37       6.976  -7.542 -13.453  1.00 18.50           O  
+ATOM    274  CB  PRO A  37       8.433  -9.844 -11.897  1.00 23.37           C  
+ATOM    275  CG  PRO A  37       8.573 -10.410 -10.572  1.00 28.27           C  
+ATOM    276  CD  PRO A  37       8.857  -9.204  -9.532  1.00 20.43           C  
+ATOM    277  N   THR A  38       6.105  -7.481 -11.322  1.00 18.86           N  
+ATOM    278  CA  THR A  38       4.849  -6.949 -11.938  1.00 14.66           C  
+ATOM    279  C   THR A  38       5.134  -5.609 -12.568  1.00 12.72           C  
+ATOM    280  O   THR A  38       4.433  -5.064 -13.326  1.00 15.75           O  
+ATOM    281  CB  THR A  38       3.879  -6.749 -10.732  1.00 19.10           C  
+ATOM    282  OG1 THR A  38       4.340  -6.112  -9.661  1.00 18.82           O  
+ATOM    283  CG2 THR A  38       3.543  -8.224 -10.416  1.00 22.69           C  
+ATOM    284  N   THR A  39       6.269  -4.882 -12.154  1.00 14.27           N  
+ATOM    285  CA  THR A  39       6.491  -3.556 -12.776  1.00 10.19           C  
+ATOM    286  C   THR A  39       6.886  -3.690 -14.302  1.00 10.17           C  
+ATOM    287  O   THR A  39       6.836  -2.719 -14.886  1.00 14.01           O  
+ATOM    288  CB  THR A  39       7.510  -2.917 -11.996  1.00 15.56           C  
+ATOM    289  OG1 THR A  39       8.881  -3.562 -11.937  1.00 14.68           O  
+ATOM    290  CG2 THR A  39       7.258  -2.652 -10.511  1.00 20.52           C  
+ATOM    291  N   LYS A  40       7.174  -4.831 -14.593  1.00 14.72           N  
+ATOM    292  CA  LYS A  40       7.574  -4.871 -15.954  1.00 15.89           C  
+ATOM    293  C   LYS A  40       6.392  -4.785 -17.012  1.00 21.37           C  
+ATOM    294  O   LYS A  40       6.437  -4.614 -18.103  1.00 15.72           O  
+ATOM    295  CB  LYS A  40       8.145  -6.482 -16.338  1.00 11.64           C  
+ATOM    296  CG  LYS A  40       9.529  -6.584 -15.725  1.00 16.19           C  
+ATOM    297  CD  LYS A  40      10.167  -7.889 -16.138  1.00 23.35           C  
+ATOM    298  CE  LYS A  40       9.677  -9.033 -15.597  1.00 24.42           C  
+ATOM    299  NZ  LYS A  40      10.352 -10.362 -15.922  1.00 19.04           N  
+ATOM    300  N   THR A  41       5.127  -4.865 -16.397  1.00 13.16           N  
+ATOM    301  CA  THR A  41       3.875  -4.707 -17.174  1.00 14.78           C  
+ATOM    302  C   THR A  41       3.932  -3.487 -17.746  1.00 15.32           C  
+ATOM    303  O   THR A  41       3.044  -3.054 -18.672  1.00 15.67           O  
+ATOM    304  CB  THR A  41       2.612  -5.037 -16.228  1.00 15.38           C  
+ATOM    305  OG1 THR A  41       2.526  -4.071 -15.248  1.00 14.93           O  
+ATOM    306  CG2 THR A  41       2.578  -6.405 -15.884  1.00 16.57           C  
+ATOM    307  N   TYR A  42       4.610  -2.356 -17.311  1.00 10.46           N  
+ATOM    308  CA  TYR A  42       4.398  -1.015 -17.861  1.00 12.73           C  
+ATOM    309  C   TYR A  42       5.571  -0.792 -19.101  1.00  7.07           C  
+ATOM    310  O   TYR A  42       5.611   0.312 -19.642  1.00 12.11           O  
+ATOM    311  CB  TYR A  42       4.898  -0.049 -16.794  1.00 14.67           C  
+ATOM    312  CG  TYR A  42       3.618   0.026 -15.875  1.00 13.54           C  
+ATOM    313  CD1 TYR A  42       2.437   0.794 -16.095  1.00 19.68           C  
+ATOM    314  CD2 TYR A  42       3.661  -0.765 -14.634  1.00 18.38           C  
+ATOM    315  CE1 TYR A  42       1.433   0.570 -15.142  1.00 23.98           C  
+ATOM    316  CE2 TYR A  42       2.601  -0.739 -13.758  1.00 13.41           C  
+ATOM    317  CZ  TYR A  42       1.469  -0.048 -14.033  1.00 18.96           C  
+ATOM    318  OH  TYR A  42       0.436  -0.054 -13.115  1.00 19.81           O  
+ATOM    319  N   PHE A  43       6.476  -1.826 -19.154  1.00 17.11           N  
+ATOM    320  CA  PHE A  43       7.621  -1.843 -20.115  1.00 18.18           C  
+ATOM    321  C   PHE A  43       7.472  -2.895 -21.133  1.00 24.86           C  
+ATOM    322  O   PHE A  43       8.506  -3.413 -21.456  1.00 22.13           O  
+ATOM    323  CB  PHE A  43       8.883  -1.731 -19.445  1.00 15.44           C  
+ATOM    324  CG  PHE A  43       9.117  -0.406 -18.576  1.00 14.36           C  
+ATOM    325  CD1 PHE A  43       8.554  -0.479 -17.198  1.00 14.47           C  
+ATOM    326  CD2 PHE A  43       9.564   0.739 -18.886  1.00 16.54           C  
+ATOM    327  CE1 PHE A  43       8.777   0.624 -16.478  1.00 20.56           C  
+ATOM    328  CE2 PHE A  43       9.747   1.973 -18.107  1.00 17.61           C  
+ATOM    329  CZ  PHE A  43       9.344   1.707 -16.778  1.00 18.88           C  
+ATOM    330  N   PRO A  44       6.315  -3.239 -21.641  1.00 18.09           N  
+ATOM    331  CA  PRO A  44       6.381  -4.414 -22.439  1.00 22.24           C  
+ATOM    332  C   PRO A  44       7.028  -3.933 -24.077  1.00 24.15           C  
+ATOM    333  O   PRO A  44       7.495  -4.754 -24.733  1.00 24.01           O  
+ATOM    334  CB  PRO A  44       5.048  -4.531 -22.752  1.00 28.44           C  
+ATOM    335  CG  PRO A  44       4.370  -3.210 -22.675  1.00 24.77           C  
+ATOM    336  CD  PRO A  44       5.151  -2.594 -21.501  1.00 21.37           C  
+ATOM    337  N   HIS A  45       7.181  -2.759 -24.200  1.00 22.61           N  
+ATOM    338  CA  HIS A  45       7.861  -2.190 -25.416  1.00 32.33           C  
+ATOM    339  C   HIS A  45       9.330  -2.042 -25.421  1.00 27.50           C  
+ATOM    340  O   HIS A  45       9.974  -1.539 -26.257  1.00 22.34           O  
+ATOM    341  CB  HIS A  45       7.358  -0.919 -25.693  1.00 28.91           C  
+ATOM    342  CG  HIS A  45       7.192   0.375 -24.801  1.00 24.48           C  
+ATOM    343  ND1 HIS A  45       6.886  -0.058 -23.407  1.00 28.61           N  
+ATOM    344  CD2 HIS A  45       7.956   1.463 -24.795  1.00 25.11           C  
+ATOM    345  CE1 HIS A  45       7.011   1.085 -22.716  1.00 26.97           C  
+ATOM    346  NE2 HIS A  45       7.765   2.042 -23.628  1.00 30.40           N  
+ATOM    347  N   PHE A  46      10.122  -2.386 -24.054  1.00 17.28           N  
+ATOM    348  CA  PHE A  46      11.455  -2.262 -23.909  1.00 16.89           C  
+ATOM    349  C   PHE A  46      12.005  -3.636 -24.127  1.00 16.17           C  
+ATOM    350  O   PHE A  46      11.604  -4.686 -23.635  1.00 18.14           O  
+ATOM    351  CB  PHE A  46      11.684  -1.700 -22.434  1.00 19.02           C  
+ATOM    352  CG  PHE A  46      11.699  -0.399 -22.451  1.00 24.73           C  
+ATOM    353  CD1 PHE A  46      12.430   0.377 -21.434  1.00 19.60           C  
+ATOM    354  CD2 PHE A  46      11.298   0.412 -23.118  1.00 32.07           C  
+ATOM    355  CE1 PHE A  46      12.410   1.666 -21.260  1.00 16.62           C  
+ATOM    356  CE2 PHE A  46      11.265   1.969 -23.113  1.00 32.95           C  
+ATOM    357  CZ  PHE A  46      11.777   2.738 -22.175  1.00 26.82           C  
+ATOM    358  N   ASP A  47      13.392  -3.464 -24.534  1.00 19.28           N  
+ATOM    359  CA  ASP A  47      14.201  -4.676 -24.267  1.00 21.11           C  
+ATOM    360  C   ASP A  47      14.839  -4.498 -22.659  1.00 19.86           C  
+ATOM    361  O   ASP A  47      15.431  -3.489 -22.547  1.00 21.26           O  
+ATOM    362  CB  ASP A  47      15.523  -4.420 -25.240  1.00 18.49           C  
+ATOM    363  CG  ASP A  47      16.401  -5.761 -25.037  1.00 31.25           C  
+ATOM    364  OD1 ASP A  47      16.311  -6.607 -24.275  1.00 29.75           O  
+ATOM    365  OD2 ASP A  47      17.439  -5.328 -25.588  1.00 43.41           O  
+ATOM    366  N   LEU A  48      14.368  -5.324 -22.041  1.00 24.03           N  
+ATOM    367  CA  LEU A  48      14.753  -5.341 -20.734  1.00 18.27           C  
+ATOM    368  C   LEU A  48      15.791  -6.404 -20.198  1.00 36.02           C  
+ATOM    369  O   LEU A  48      16.171  -6.209 -19.141  1.00 39.74           O  
+ATOM    370  CB  LEU A  48      13.415  -5.610 -19.721  1.00 19.69           C  
+ATOM    371  CG  LEU A  48      12.489  -4.486 -19.789  1.00 21.82           C  
+ATOM    372  CD1 LEU A  48      11.174  -5.208 -18.951  1.00 33.27           C  
+ATOM    373  CD2 LEU A  48      12.620  -3.262 -19.549  1.00 24.10           C  
+ATOM    374  N   SER A  49      16.783  -6.499 -21.225  1.00 29.95           N  
+ATOM    375  CA  SER A  49      18.122  -7.384 -21.060  1.00 36.57           C  
+ATOM    376  C   SER A  49      18.846  -6.374 -20.277  1.00 27.84           C  
+ATOM    377  O   SER A  49      19.000  -5.086 -20.358  1.00 22.88           O  
+ATOM    378  CB  SER A  49      18.154  -8.122 -22.211  1.00 37.22           C  
+ATOM    379  OG  SER A  49      18.651  -7.428 -22.904  1.00 43.53           O  
+ATOM    380  N   HIS A  50      19.910  -7.126 -19.381  1.00 28.70           N  
+ATOM    381  CA  HIS A  50      20.458  -5.929 -18.816  1.00 33.73           C  
+ATOM    382  C   HIS A  50      21.497  -5.179 -19.493  1.00 26.32           C  
+ATOM    383  O   HIS A  50      22.162  -5.918 -20.594  1.00 31.00           O  
+ATOM    384  CB  HIS A  50      21.839  -7.147 -17.996  1.00 52.72           C  
+ATOM    385  CG  HIS A  50      22.748  -6.326 -17.477  1.00 44.40           C  
+ATOM    386  ND1 HIS A  50      22.626  -5.701 -16.215  1.00 33.80           N  
+ATOM    387  CD2 HIS A  50      24.218  -6.937 -17.247  1.00 47.43           C  
+ATOM    388  CE1 HIS A  50      23.812  -5.042 -15.891  1.00 41.56           C  
+ATOM    389  NE2 HIS A  50      24.721  -5.696 -16.698  1.00 46.05           N  
+ATOM    390  N   GLY A  51      21.750  -4.254 -19.494  1.00 24.77           N  
+ATOM    391  CA  GLY A  51      22.455  -3.151 -20.084  1.00 47.57           C  
+ATOM    392  C   GLY A  51      21.857  -2.536 -21.373  1.00 38.90           C  
+ATOM    393  O   GLY A  51      22.594  -2.038 -22.085  1.00 36.29           O  
+ATOM    394  N   SER A  52      20.675  -3.017 -21.484  1.00 31.32           N  
+ATOM    395  CA  SER A  52      19.963  -2.196 -22.851  1.00 26.23           C  
+ATOM    396  C   SER A  52      20.134  -0.997 -22.782  1.00 16.57           C  
+ATOM    397  O   SER A  52      19.933  -0.129 -21.983  1.00 20.02           O  
+ATOM    398  CB  SER A  52      18.619  -2.881 -22.964  1.00 27.24           C  
+ATOM    399  OG  SER A  52      17.746  -2.046 -22.388  1.00 23.82           O  
+ATOM    400  N   ALA A  53      20.194  -0.382 -24.103  1.00 17.74           N  
+ATOM    401  CA  ALA A  53      20.270   0.998 -24.154  1.00 23.86           C  
+ATOM    402  C   ALA A  53      18.923   1.773 -23.848  1.00 16.18           C  
+ATOM    403  O   ALA A  53      18.953   2.849 -23.330  1.00 19.42           O  
+ATOM    404  CB  ALA A  53      20.303   1.395 -25.787  1.00 25.47           C  
+ATOM    405  N   GLN A  54      17.736   0.981 -23.874  1.00 20.85           N  
+ATOM    406  CA  GLN A  54      16.512   1.657 -23.573  1.00 13.59           C  
+ATOM    407  C   GLN A  54      16.574   1.828 -21.914  1.00 19.26           C  
+ATOM    408  O   GLN A  54      15.942   2.867 -21.609  1.00 20.48           O  
+ATOM    409  CB  GLN A  54      15.353   0.611 -23.904  1.00 15.39           C  
+ATOM    410  CG  GLN A  54      14.983   0.803 -25.364  1.00 20.40           C  
+ATOM    411  CD  GLN A  54      14.209  -0.311 -25.782  1.00 15.48           C  
+ATOM    412  OE1 GLN A  54      14.579  -1.521 -25.849  1.00 23.45           O  
+ATOM    413  NE2 GLN A  54      13.268  -0.063 -26.856  1.00 19.86           N  
+ATOM    414  N   VAL A  55      16.964   0.770 -21.300  1.00 16.87           N  
+ATOM    415  CA  VAL A  55      17.057   0.967 -19.825  1.00 16.48           C  
+ATOM    416  C   VAL A  55      17.956   2.003 -19.318  1.00 17.36           C  
+ATOM    417  O   VAL A  55      17.791   2.873 -18.570  1.00 18.40           O  
+ATOM    418  CB  VAL A  55      17.306  -0.514 -19.268  1.00 14.78           C  
+ATOM    419  CG1 VAL A  55      17.609  -0.401 -17.796  1.00 21.77           C  
+ATOM    420  CG2 VAL A  55      16.107  -1.297 -19.446  1.00 16.83           C  
+ATOM    421  N   LYS A  56      19.228   1.986 -19.953  1.00 16.43           N  
+ATOM    422  CA  LYS A  56      20.094   3.039 -19.797  1.00 16.52           C  
+ATOM    423  C   LYS A  56      19.566   4.272 -19.699  1.00 21.58           C  
+ATOM    424  O   LYS A  56      19.825   5.350 -19.163  1.00 20.11           O  
+ATOM    425  CB  LYS A  56      21.563   2.786 -20.316  1.00 18.35           C  
+ATOM    426  CG  LYS A  56      21.968   1.412 -19.848  1.00 28.49           C  
+ATOM    427  CD  LYS A  56      23.832   1.798 -20.631  1.00 44.71           C  
+ATOM    428  CE  LYS A  56      24.647   0.185 -20.276  1.00 47.65           C  
+ATOM    429  NZ  LYS A  56      26.042   0.618 -20.926  1.00 52.31           N  
+ATOM    430  N   GLY A  57      19.018   4.549 -21.123  1.00 17.21           N  
+ATOM    431  CA  GLY A  57      18.386   5.829 -21.439  1.00 25.10           C  
+ATOM    432  C   GLY A  57      17.163   6.322 -20.441  1.00 19.44           C  
+ATOM    433  O   GLY A  57      17.339   7.478 -20.078  1.00 20.54           O  
+ATOM    434  N   HIS A  58      16.465   5.322 -20.170  1.00 18.79           N  
+ATOM    435  CA  HIS A  58      15.350   5.701 -19.218  1.00 20.27           C  
+ATOM    436  C   HIS A  58      15.995   6.080 -17.623  1.00 13.51           C  
+ATOM    437  O   HIS A  58      15.432   7.056 -17.182  1.00 17.47           O  
+ATOM    438  CB  HIS A  58      14.449   4.447 -19.262  1.00 17.90           C  
+ATOM    439  CG  HIS A  58      13.058   4.996 -18.478  1.00 15.76           C  
+ATOM    440  ND1 HIS A  58      12.287   6.114 -18.800  1.00 20.40           N  
+ATOM    441  CD2 HIS A  58      12.522   4.394 -17.450  1.00 20.31           C  
+ATOM    442  CE1 HIS A  58      11.473   6.092 -17.719  1.00 20.13           C  
+ATOM    443  NE2 HIS A  58      11.497   5.103 -17.065  1.00 21.08           N  
+ATOM    444  N   GLY A  59      16.881   5.222 -17.443  1.00 14.95           N  
+ATOM    445  CA  GLY A  59      17.562   5.623 -16.096  1.00 18.11           C  
+ATOM    446  C   GLY A  59      18.124   6.806 -15.942  1.00 19.85           C  
+ATOM    447  O   GLY A  59      17.932   7.718 -15.003  1.00 15.36           O  
+ATOM    448  N   LYS A  60      18.701   7.399 -17.074  1.00 17.17           N  
+ATOM    449  CA  LYS A  60      19.105   8.846 -17.109  1.00 18.34           C  
+ATOM    450  C   LYS A  60      18.266   9.905 -16.940  1.00 18.03           C  
+ATOM    451  O   LYS A  60      18.249  10.847 -16.377  1.00 18.72           O  
+ATOM    452  CB  LYS A  60      20.142   9.096 -18.402  1.00 30.65           C  
+ATOM    453  CG  LYS A  60      20.617  10.355 -18.546  1.00 41.57           C  
+ATOM    454  CD  LYS A  60      21.486  10.272 -19.721  1.00 63.44           C  
+ATOM    455  CE  LYS A  60      22.042  12.123 -19.760  1.00 44.10           C  
+ATOM    456  NZ  LYS A  60      23.253  10.931 -21.838  1.00 49.08           N  
+ATOM    457  N   LYS A  61      17.057   9.480 -17.740  1.00 16.33           N  
+ATOM    458  CA  LYS A  61      15.986  10.442 -17.612  1.00 17.87           C  
+ATOM    459  C   LYS A  61      15.127  10.479 -16.158  1.00 14.89           C  
+ATOM    460  O   LYS A  61      14.981  11.608 -15.829  1.00 19.71           O  
+ATOM    461  CB  LYS A  61      14.717  10.033 -18.529  1.00 25.67           C  
+ATOM    462  CG  LYS A  61      14.971  10.361 -20.143  1.00 41.04           C  
+ATOM    463  CD  LYS A  61      13.959   9.646 -21.043  1.00 54.25           C  
+ATOM    464  CE  LYS A  61      14.061   9.666 -21.851  1.00 78.95           C  
+ATOM    465  NZ  LYS A  61      13.029   9.011 -23.092  1.00 43.58           N  
+ATOM    466  N   VAL A  62      15.316   9.304 -15.709  1.00 15.10           N  
+ATOM    467  CA  VAL A  62      14.699   9.322 -14.234  1.00 16.18           C  
+ATOM    468  C   VAL A  62      15.686  10.200 -13.093  1.00 18.93           C  
+ATOM    469  O   VAL A  62      15.095  11.051 -12.555  1.00 16.64           O  
+ATOM    470  CB  VAL A  62      14.660   7.890 -13.835  1.00 13.59           C  
+ATOM    471  CG1 VAL A  62      14.141   7.704 -12.419  1.00 20.28           C  
+ATOM    472  CG2 VAL A  62      13.407   7.365 -14.552  1.00 17.24           C  
+ATOM    473  N   ALA A  63      16.863   9.822 -13.546  1.00 18.60           N  
+ATOM    474  CA  ALA A  63      17.806  10.661 -12.634  1.00 14.91           C  
+ATOM    475  C   ALA A  63      18.050  11.967 -12.922  1.00 18.47           C  
+ATOM    476  O   ALA A  63      17.940  12.889 -11.976  1.00 18.58           O  
+ATOM    477  CB  ALA A  63      19.170   9.768 -12.782  1.00 37.76           C  
+ATOM    478  N   ASP A  64      17.821  12.573 -14.198  1.00 16.80           N  
+ATOM    479  CA  ASP A  64      17.733  13.912 -14.174  1.00 24.74           C  
+ATOM    480  C   ASP A  64      16.549  14.773 -13.697  1.00 17.12           C  
+ATOM    481  O   ASP A  64      16.672  15.717 -13.116  1.00 22.08           O  
+ATOM    482  CB  ASP A  64      17.603  14.212 -15.737  1.00 35.97           C  
+ATOM    483  CG  ASP A  64      19.349  14.293 -16.612  1.00 31.06           C  
+ATOM    484  OD1 ASP A  64      20.156  13.672 -15.497  1.00 35.72           O  
+ATOM    485  OD2 ASP A  64      18.977  14.172 -17.839  1.00 43.58           O  
+ATOM    486  N   ALA A  65      15.332  13.912 -13.869  1.00 13.28           N  
+ATOM    487  CA  ALA A  65      14.329  14.415 -13.017  1.00 17.27           C  
+ATOM    488  C   ALA A  65      14.445  14.482 -11.415  1.00 13.03           C  
+ATOM    489  O   ALA A  65      13.989  15.536 -11.013  1.00 17.77           O  
+ATOM    490  CB  ALA A  65      12.982  13.578 -13.361  1.00 23.35           C  
+ATOM    491  N   LEU A  66      15.162  13.498 -11.063  1.00 15.51           N  
+ATOM    492  CA  LEU A  66      15.339  13.706  -9.605  1.00 11.63           C  
+ATOM    493  C   LEU A  66      16.337  14.754  -9.333  1.00 19.15           C  
+ATOM    494  O   LEU A  66      16.146  15.585  -8.334  1.00 19.52           O  
+ATOM    495  CB  LEU A  66      15.829  12.371  -9.144  1.00 13.76           C  
+ATOM    496  CG  LEU A  66      14.823  11.115  -8.963  1.00 19.82           C  
+ATOM    497  CD1 LEU A  66      15.489   9.880  -8.746  1.00 18.79           C  
+ATOM    498  CD2 LEU A  66      13.658  11.434  -8.143  1.00 21.54           C  
+ATOM    499  N   THR A  67      17.286  14.890 -10.137  1.00 15.35           N  
+ATOM    500  CA  THR A  67      18.223  15.978 -10.096  1.00 19.22           C  
+ATOM    501  C   THR A  67      17.538  17.420 -10.103  1.00 19.35           C  
+ATOM    502  O   THR A  67      17.647  18.426  -9.135  1.00 25.50           O  
+ATOM    503  CB  THR A  67      19.391  15.815 -10.975  1.00 27.92           C  
+ATOM    504  OG1 THR A  67      20.048  14.951 -10.890  1.00 31.77           O  
+ATOM    505  CG2 THR A  67      20.007  17.263 -11.105  1.00 31.55           C  
+ATOM    506  N   ASN A  68      16.575  17.470 -11.016  1.00 18.73           N  
+ATOM    507  CA  ASN A  68      15.744  18.747 -11.028  1.00 18.68           C  
+ATOM    508  C   ASN A  68      14.923  18.912  -9.894  1.00 24.52           C  
+ATOM    509  O   ASN A  68      14.765  20.137  -9.247  1.00 25.75           O  
+ATOM    510  CB  ASN A  68      14.756  18.608 -12.121  1.00 25.79           C  
+ATOM    511  CG  ASN A  68      13.735  19.831 -12.299  1.00 36.65           C  
+ATOM    512  OD1 ASN A  68      14.126  20.875 -12.151  1.00 38.63           O  
+ATOM    513  ND2 ASN A  68      12.596  19.698 -13.037  1.00 39.67           N  
+ATOM    514  N   ALA A  69      14.365  17.791  -9.099  1.00 17.85           N  
+ATOM    515  CA  ALA A  69      13.480  18.120  -7.964  1.00 16.12           C  
+ATOM    516  C   ALA A  69      14.454  18.477  -6.733  1.00 15.28           C  
+ATOM    517  O   ALA A  69      14.055  19.178  -5.996  1.00 20.90           O  
+ATOM    518  CB  ALA A  69      13.019  16.796  -7.635  1.00 21.91           C  
+ATOM    519  N   VAL A  70      15.742  17.807  -6.739  1.00 18.42           N  
+ATOM    520  CA  VAL A  70      16.670  18.320  -5.560  1.00 18.79           C  
+ATOM    521  C   VAL A  70      17.052  19.774  -5.743  1.00 21.40           C  
+ATOM    522  O   VAL A  70      16.986  20.472  -4.749  1.00 22.44           O  
+ATOM    523  CB  VAL A  70      17.782  17.521  -5.616  1.00 19.75           C  
+ATOM    524  CG1 VAL A  70      19.021  17.739  -4.714  1.00 24.49           C  
+ATOM    525  CG2 VAL A  70      17.476  16.043  -5.206  1.00 30.23           C  
+ATOM    526  N   ALA A  71      17.156  20.293  -6.971  1.00 20.17           N  
+ATOM    527  CA  ALA A  71      17.389  21.815  -7.308  1.00 23.56           C  
+ATOM    528  C   ALA A  71      16.370  22.294  -6.912  1.00 25.98           C  
+ATOM    529  O   ALA A  71      16.635  23.655  -6.511  1.00 33.09           O  
+ATOM    530  CB  ALA A  71      17.654  21.789  -8.655  1.00 32.78           C  
+ATOM    531  N   HIS A  72      15.081  22.080  -6.888  1.00 23.78           N  
+ATOM    532  CA  HIS A  72      13.997  22.837  -6.617  1.00 21.95           C  
+ATOM    533  C   HIS A  72      13.181  22.411  -5.617  1.00 20.17           C  
+ATOM    534  O   HIS A  72      11.897  22.212  -5.613  1.00 23.99           O  
+ATOM    535  CB  HIS A  72      12.821  22.953  -7.947  1.00 35.07           C  
+ATOM    536  CG  HIS A  72      13.866  23.277  -8.689  1.00 34.89           C  
+ATOM    537  ND1 HIS A  72      13.873  24.932  -9.510  1.00 43.74           N  
+ATOM    538  CD2 HIS A  72      14.464  23.117 -10.031  1.00 29.96           C  
+ATOM    539  CE1 HIS A  72      15.153  25.255  -9.959  1.00 41.69           C  
+ATOM    540  NE2 HIS A  72      15.223  24.225 -10.948  1.00 44.85           N  
+ATOM    541  N   VAL A  73      13.752  21.857  -4.446  1.00 23.31           N  
+ATOM    542  CA  VAL A  73      13.057  21.077  -3.315  1.00 23.32           C  
+ATOM    543  C   VAL A  73      12.075  21.651  -2.904  1.00 32.07           C  
+ATOM    544  O   VAL A  73      10.955  21.485  -2.533  1.00 42.18           O  
+ATOM    545  CB  VAL A  73      13.998  20.556  -2.485  1.00 41.19           C  
+ATOM    546  CG1 VAL A  73      14.923  21.399  -1.795  1.00 52.76           C  
+ATOM    547  CG2 VAL A  73      13.799  19.262  -2.036  1.00 47.91           C  
+ATOM    548  N   ASP A  74      12.275  23.065  -2.789  1.00 30.40           N  
+ATOM    549  CA  ASP A  74      11.145  24.002  -2.142  1.00 34.95           C  
+ATOM    550  C   ASP A  74      10.049  24.015  -3.350  1.00 50.97           C  
+ATOM    551  O   ASP A  74       9.132  24.778  -2.717  1.00 49.62           O  
+ATOM    552  CB  ASP A  74      11.678  25.422  -2.020  1.00 42.77           C  
+ATOM    553  CG  ASP A  74      12.830  25.304  -0.645  1.00 52.01           C  
+ATOM    554  OD1 ASP A  74      12.752  24.865   0.015  1.00 49.67           O  
+ATOM    555  OD2 ASP A  74      14.337  25.661  -0.918  1.00 51.46           O  
+ATOM    556  N   ASP A  75       9.922  23.915  -4.261  1.00 36.55           N  
+ATOM    557  CA  ASP A  75       8.668  23.936  -5.208  1.00 36.46           C  
+ATOM    558  C   ASP A  75       8.874  22.788  -6.315  1.00 19.07           C  
+ATOM    559  O   ASP A  75       8.567  23.036  -7.581  1.00 22.77           O  
+ATOM    560  CB  ASP A  75       9.451  25.163  -6.540  1.00 64.13           C  
+ATOM    561  CG  ASP A  75       8.868  25.436  -6.330  1.00 74.46           C  
+ATOM    562  OD1 ASP A  75       7.314  26.337  -6.605  1.00 47.43           O  
+ATOM    563  OD2 ASP A  75       8.881  25.994  -8.289  1.00 60.83           O  
+ATOM    564  N   MET A  76       8.625  21.775  -5.634  1.00 28.83           N  
+ATOM    565  CA  MET A  76       8.674  20.530  -6.647  1.00 25.75           C  
+ATOM    566  C   MET A  76       7.271  20.288  -7.401  1.00 26.47           C  
+ATOM    567  O   MET A  76       7.358  19.996  -8.579  1.00 25.06           O  
+ATOM    568  CB  MET A  76       8.643  19.305  -5.552  1.00 26.87           C  
+ATOM    569  CG  MET A  76       9.740  19.092  -5.553  1.00 44.91           C  
+ATOM    570  SD  MET A  76      10.207  17.317  -4.716  1.00 43.69           S  
+ATOM    571  CE  MET A  76      10.186  17.272  -3.278  1.00 47.45           C  
+ATOM    572  N   PRO A  77       6.289  20.734  -6.858  1.00 24.72           N  
+ATOM    573  CA  PRO A  77       5.288  21.011  -7.720  1.00 32.25           C  
+ATOM    574  C   PRO A  77       5.404  21.500  -8.895  1.00 33.71           C  
+ATOM    575  O   PRO A  77       4.843  20.983 -10.107  1.00 27.50           O  
+ATOM    576  CB  PRO A  77       3.868  21.504  -6.885  1.00 35.42           C  
+ATOM    577  CG  PRO A  77       4.538  21.027  -5.570  1.00 42.65           C  
+ATOM    578  CD  PRO A  77       5.873  20.979  -5.490  1.00 26.77           C  
+ATOM    579  N   ASN A  78       5.832  22.745  -9.066  1.00 28.71           N  
+ATOM    580  CA  ASN A  78       5.931  23.542 -10.146  1.00 29.25           C  
+ATOM    581  C   ASN A  78       7.105  22.960 -10.923  1.00 25.30           C  
+ATOM    582  O   ASN A  78       7.043  22.562 -12.258  1.00 31.49           O  
+ATOM    583  CB  ASN A  78       6.292  25.075 -10.189  1.00 52.85           C  
+ATOM    584  CG  ASN A  78       5.615  25.627 -10.060  1.00 62.76           C  
+ATOM    585  OD1 ASN A  78       4.765  26.184  -8.258  1.00 71.55           O  
+ATOM    586  ND2 ASN A  78       4.594  25.811 -10.486  1.00 72.60           N  
+ATOM    587  N   ALA A  79       8.114  22.456 -10.315  1.00 21.06           N  
+ATOM    588  CA  ALA A  79       9.264  21.897 -10.989  1.00 28.88           C  
+ATOM    589  C   ALA A  79       8.963  20.522 -11.944  1.00 27.69           C  
+ATOM    590  O   ALA A  79       9.465  20.431 -13.022  1.00 25.51           O  
+ATOM    591  CB  ALA A  79      10.294  21.701 -10.105  1.00 35.64           C  
+ATOM    592  N   LEU A  80       8.232  19.781 -11.312  1.00 22.21           N  
+ATOM    593  CA  LEU A  80       7.767  18.341 -11.815  1.00 24.91           C  
+ATOM    594  C   LEU A  80       6.510  18.562 -12.698  1.00 29.49           C  
+ATOM    595  O   LEU A  80       5.875  17.479 -12.950  1.00 21.47           O  
+ATOM    596  CB  LEU A  80       7.734  17.285 -10.765  1.00 17.03           C  
+ATOM    597  CG  LEU A  80       9.126  17.077 -10.078  1.00 26.04           C  
+ATOM    598  CD1 LEU A  80       8.930  16.109  -9.016  1.00 30.97           C  
+ATOM    599  CD2 LEU A  80      10.040  16.545 -11.282  1.00 40.31           C  
+ATOM    600  N   SER A  81       5.857  19.827 -12.942  1.00 21.07           N  
+ATOM    601  CA  SER A  81       4.431  19.687 -13.335  1.00 18.09           C  
+ATOM    602  C   SER A  81       4.363  19.087 -14.671  1.00 20.48           C  
+ATOM    603  O   SER A  81       3.314  18.257 -14.890  1.00 25.77           O  
+ATOM    604  CB  SER A  81       4.467  21.619 -13.861  1.00 32.64           C  
+ATOM    605  OG  SER A  81       2.994  21.456 -13.913  1.00 44.30           O  
+ATOM    606  N   ALA A  82       5.219  18.957 -15.594  1.00 23.80           N  
+ATOM    607  CA  ALA A  82       5.295  18.397 -16.849  1.00 21.23           C  
+ATOM    608  C   ALA A  82       5.047  16.984 -16.596  1.00 19.91           C  
+ATOM    609  O   ALA A  82       4.419  16.133 -17.266  1.00 24.36           O  
+ATOM    610  CB  ALA A  82       6.433  18.664 -17.830  1.00 22.94           C  
+ATOM    611  N   LEU A  83       6.039  16.444 -15.755  1.00 18.35           N  
+ATOM    612  CA  LEU A  83       5.983  14.900 -15.664  1.00 19.01           C  
+ATOM    613  C   LEU A  83       4.967  14.491 -14.735  1.00 18.91           C  
+ATOM    614  O   LEU A  83       4.393  13.347 -14.967  1.00 18.17           O  
+ATOM    615  CB  LEU A  83       7.250  14.624 -14.735  1.00 22.27           C  
+ATOM    616  CG  LEU A  83       8.130  13.821 -15.009  1.00 34.66           C  
+ATOM    617  CD1 LEU A  83       8.449  13.918 -16.558  1.00 28.24           C  
+ATOM    618  CD2 LEU A  83       9.756  14.153 -14.680  1.00 38.79           C  
+ATOM    619  N   SER A  84       4.321  15.210 -13.869  1.00 13.22           N  
+ATOM    620  CA  SER A  84       3.091  14.769 -13.309  1.00 14.54           C  
+ATOM    621  C   SER A  84       1.806  14.643 -14.240  1.00 13.50           C  
+ATOM    622  O   SER A  84       1.081  13.802 -14.037  1.00 20.19           O  
+ATOM    623  CB  SER A  84       2.316  15.701 -11.953  1.00 25.45           C  
+ATOM    624  OG  SER A  84       3.028  16.684 -12.075  1.00 36.19           O  
+ATOM    625  N   ASP A  85       1.894  15.645 -15.194  1.00 15.99           N  
+ATOM    626  CA  ASP A  85       0.657  15.457 -16.246  1.00 18.10           C  
+ATOM    627  C   ASP A  85       0.872  14.320 -17.117  1.00 20.71           C  
+ATOM    628  O   ASP A  85       0.085  13.524 -17.249  1.00 20.01           O  
+ATOM    629  CB  ASP A  85       0.847  16.636 -17.207  1.00 30.89           C  
+ATOM    630  CG  ASP A  85       0.240  17.791 -16.350  1.00 57.00           C  
+ATOM    631  OD1 ASP A  85      -0.408  17.890 -15.984  1.00 51.34           O  
+ATOM    632  OD2 ASP A  85       0.645  19.250 -17.189  1.00 50.68           O  
+ATOM    633  N   LEU A  86       2.217  13.883 -17.444  1.00 20.13           N  
+ATOM    634  CA  LEU A  86       2.516  12.802 -18.225  1.00 17.03           C  
+ATOM    635  C   LEU A  86       2.094  11.499 -17.604  1.00 14.48           C  
+ATOM    636  O   LEU A  86       1.613  10.536 -18.155  1.00 18.46           O  
+ATOM    637  CB  LEU A  86       4.085  12.859 -18.555  1.00 16.01           C  
+ATOM    638  CG  LEU A  86       4.479  11.856 -19.204  1.00 23.66           C  
+ATOM    639  CD1 LEU A  86       4.217  11.927 -20.682  1.00 40.43           C  
+ATOM    640  CD2 LEU A  86       6.063  11.399 -19.455  1.00 33.72           C  
+ATOM    641  N   HIS A  87       2.488  11.534 -16.185  1.00 12.17           N  
+ATOM    642  CA  HIS A  87       2.237  10.125 -15.649  1.00 12.85           C  
+ATOM    643  C   HIS A  87       0.524  10.055 -15.280  1.00 15.39           C  
+ATOM    644  O   HIS A  87       0.114   8.957 -15.394  1.00 15.03           O  
+ATOM    645  CB  HIS A  87       2.873  10.043 -14.177  1.00 13.63           C  
+ATOM    646  CG  HIS A  87       4.357   9.531 -14.510  1.00 14.91           C  
+ATOM    647  ND1 HIS A  87       5.315  10.638 -14.847  1.00 15.35           N  
+ATOM    648  CD2 HIS A  87       5.128   8.461 -14.450  1.00 17.85           C  
+ATOM    649  CE1 HIS A  87       6.425   9.938 -15.110  1.00 15.29           C  
+ATOM    650  NE2 HIS A  87       6.410   8.672 -14.776  1.00 15.64           N  
+ATOM    651  N   ALA A  88       0.070  11.240 -15.092  1.00 19.56           N  
+ATOM    652  CA  ALA A  88      -1.450  11.245 -14.731  1.00 16.45           C  
+ATOM    653  C   ALA A  88      -2.307  10.782 -16.164  1.00 28.29           C  
+ATOM    654  O   ALA A  88      -3.217  10.321 -15.884  1.00 25.27           O  
+ATOM    655  CB  ALA A  88      -1.985  12.408 -13.954  1.00 17.34           C  
+ATOM    656  N   HIS A  89      -1.856  11.542 -17.115  1.00 21.56           N  
+ATOM    657  CA  HIS A  89      -2.652  11.471 -18.284  1.00 29.42           C  
+ATOM    658  C   HIS A  89      -2.430  10.590 -19.375  1.00 27.17           C  
+ATOM    659  O   HIS A  89      -3.237   9.974 -20.183  1.00 22.35           O  
+ATOM    660  CB  HIS A  89      -2.855  12.836 -18.839  1.00 26.26           C  
+ATOM    661  CG  HIS A  89      -3.474  13.775 -17.933  1.00 44.45           C  
+ATOM    662  ND1 HIS A  89      -4.582  13.545 -17.082  1.00 45.59           N  
+ATOM    663  CD2 HIS A  89      -3.036  15.133 -17.376  1.00 45.61           C  
+ATOM    664  CE1 HIS A  89      -4.931  14.373 -15.965  1.00 42.72           C  
+ATOM    665  NE2 HIS A  89      -3.969  15.212 -16.507  1.00 43.49           N  
+ATOM    666  N   LYS A  90      -1.237  10.085 -19.553  1.00 18.65           N  
+ATOM    667  CA  LYS A  90      -0.701   9.212 -20.311  1.00 28.92           C  
+ATOM    668  C   LYS A  90      -0.235   7.836 -20.094  1.00 28.09           C  
+ATOM    669  O   LYS A  90      -0.814   6.865 -20.213  1.00 25.04           O  
+ATOM    670  CB  LYS A  90       0.483   9.973 -21.248  1.00 32.47           C  
+ATOM    671  CG  LYS A  90      -0.258  11.271 -22.102  1.00 49.97           C  
+ATOM    672  CD  LYS A  90      -1.161  11.150 -22.865  1.00 58.54           C  
+ATOM    673  CE  LYS A  90      -0.717  12.584 -23.928  1.00 66.22           C  
+ATOM    674  NZ  LYS A  90      -3.148  11.648 -24.501  1.00 63.54           N  
+ATOM    675  N   LEU A  91       0.684   7.834 -19.083  1.00 17.50           N  
+ATOM    676  CA  LEU A  91       1.357   6.678 -18.728  1.00 15.47           C  
+ATOM    677  C   LEU A  91       0.469   5.814 -17.729  1.00 18.54           C  
+ATOM    678  O   LEU A  91       0.360   4.623 -17.933  1.00 17.03           O  
+ATOM    679  CB  LEU A  91       2.810   6.867 -17.956  1.00 13.84           C  
+ATOM    680  CG  LEU A  91       3.828   7.564 -18.848  1.00 16.01           C  
+ATOM    681  CD1 LEU A  91       4.943   7.934 -18.256  1.00 18.27           C  
+ATOM    682  CD2 LEU A  91       3.998   6.811 -20.081  1.00 22.12           C  
+ATOM    683  N   ARG A  92      -0.013   6.544 -16.785  1.00 18.03           N  
+ATOM    684  CA  ARG A  92      -1.120   5.962 -15.831  1.00 14.41           C  
+ATOM    685  C   ARG A  92      -0.663   4.876 -15.136  1.00 15.84           C  
+ATOM    686  O   ARG A  92      -1.280   3.746 -14.964  1.00 17.92           O  
+ATOM    687  CB  ARG A  92      -2.457   5.762 -16.768  1.00 18.61           C  
+ATOM    688  CG  ARG A  92      -3.108   6.901 -17.068  1.00 25.14           C  
+ATOM    689  CD  ARG A  92      -3.735   6.578 -19.206  1.00 53.25           C  
+ATOM    690  NE  ARG A  92      -4.375   7.010 -18.108  1.00 51.61           N  
+ATOM    691  CZ  ARG A  92      -5.273   6.721 -20.498  1.00 59.18           C  
+ATOM    692  NH1 ARG A  92      -4.092   6.059 -21.138  1.00 31.30           N  
+ATOM    693  NH2 ARG A  92      -6.080   6.715 -20.222  1.00 36.70           N  
+ATOM    694  N   VAL A  93       0.444   4.876 -14.510  1.00 14.32           N  
+ATOM    695  CA  VAL A  93       1.119   3.933 -13.665  1.00 16.19           C  
+ATOM    696  C   VAL A  93       0.472   3.844 -12.448  1.00 13.83           C  
+ATOM    697  O   VAL A  93       0.272   4.879 -11.643  1.00 14.88           O  
+ATOM    698  CB  VAL A  93       2.564   4.273 -13.453  1.00 12.60           C  
+ATOM    699  CG1 VAL A  93       3.153   3.301 -12.513  1.00 15.68           C  
+ATOM    700  CG2 VAL A  93       3.314   4.342 -14.815  1.00 15.91           C  
+ATOM    701  N   ASP A  94       0.015   2.696 -11.867  1.00 14.66           N  
+ATOM    702  CA  ASP A  94      -0.813   2.633 -10.611  1.00 11.73           C  
+ATOM    703  C   ASP A  94       0.271   3.244  -9.468  1.00 12.54           C  
+ATOM    704  O   ASP A  94       1.339   2.859  -9.516  1.00 16.42           O  
+ATOM    705  CB  ASP A  94      -1.010   1.197 -10.262  1.00 12.92           C  
+ATOM    706  CG  ASP A  94      -1.972   1.228  -9.080  1.00 22.91           C  
+ATOM    707  OD1 ASP A  94      -3.187   1.146  -9.201  1.00 22.17           O  
+ATOM    708  OD2 ASP A  94      -1.457   1.316  -7.935  1.00 19.01           O  
+ATOM    709  N   PRO A  95      -0.249   3.901  -8.527  1.00 16.46           N  
+ATOM    710  CA  PRO A  95       0.567   4.636  -7.596  1.00 14.67           C  
+ATOM    711  C   PRO A  95       1.260   3.622  -6.816  1.00 17.74           C  
+ATOM    712  O   PRO A  95       2.400   4.046  -6.219  1.00 22.38           O  
+ATOM    713  CB  PRO A  95      -0.368   5.238  -6.654  1.00 22.16           C  
+ATOM    714  CG  PRO A  95      -1.377   5.777  -7.565  1.00 21.38           C  
+ATOM    715  CD  PRO A  95      -1.576   4.623  -8.536  1.00 20.78           C  
+ATOM    716  N   VAL A  96       0.927   2.374  -6.618  1.00 13.01           N  
+ATOM    717  CA  VAL A  96       1.730   1.539  -5.762  1.00 11.93           C  
+ATOM    718  C   VAL A  96       3.098   1.350  -6.142  1.00 21.27           C  
+ATOM    719  O   VAL A  96       4.069   1.031  -5.537  1.00 16.07           O  
+ATOM    720  CB  VAL A  96       0.857   0.099  -5.620  1.00 29.83           C  
+ATOM    721  CG1 VAL A  96       0.923  -0.687  -6.401  1.00 48.43           C  
+ATOM    722  CG2 VAL A  96       1.322  -0.240  -4.779  1.00 70.91           C  
+ATOM    723  N   ASN A  97       3.269   1.470  -7.559  1.00 15.63           N  
+ATOM    724  CA  ASN A  97       4.615   1.047  -8.098  1.00 10.10           C  
+ATOM    725  C   ASN A  97       5.675   2.262  -7.895  1.00  4.91           C  
+ATOM    726  O   ASN A  97       6.828   1.839  -7.860  1.00  9.67           O  
+ATOM    727  CB  ASN A  97       4.581   0.892  -9.670  1.00 13.43           C  
+ATOM    728  CG  ASN A  97       3.716  -0.282  -9.938  1.00 17.91           C  
+ATOM    729  OD1 ASN A  97       4.086  -1.378  -9.937  1.00 10.92           O  
+ATOM    730  ND2 ASN A  97       2.339   0.119 -10.294  1.00 21.96           N  
+ATOM    731  N   PHE A  98       5.251   3.390  -7.458  1.00  9.20           N  
+ATOM    732  CA  PHE A  98       6.132   4.482  -7.110  1.00 12.10           C  
+ATOM    733  C   PHE A  98       6.958   4.075  -5.773  1.00 12.02           C  
+ATOM    734  O   PHE A  98       8.240   4.323  -5.676  1.00 11.50           O  
+ATOM    735  CB  PHE A  98       5.590   5.923  -6.936  1.00 16.66           C  
+ATOM    736  CG  PHE A  98       5.051   6.336  -8.208  1.00 14.23           C  
+ATOM    737  CD1 PHE A  98       5.894   7.220  -8.806  1.00 16.70           C  
+ATOM    738  CD2 PHE A  98       3.842   5.962  -8.759  1.00 12.76           C  
+ATOM    739  CE1 PHE A  98       5.529   7.688  -9.904  1.00 23.57           C  
+ATOM    740  CE2 PHE A  98       3.513   6.440 -10.107  1.00 15.74           C  
+ATOM    741  CZ  PHE A  98       4.374   7.231 -10.516  1.00 17.50           C  
+ATOM    742  N   LYS A  99       6.362   3.356  -4.846  1.00 13.69           N  
+ATOM    743  CA  LYS A  99       7.109   2.770  -3.687  1.00 13.57           C  
+ATOM    744  C   LYS A  99       7.912   1.744  -3.941  1.00 14.35           C  
+ATOM    745  O   LYS A  99       9.044   1.864  -3.350  1.00 13.29           O  
+ATOM    746  CB  LYS A  99       5.909   2.378  -2.665  1.00 22.01           C  
+ATOM    747  CG  LYS A  99       5.016   2.967  -2.454  1.00 54.35           C  
+ATOM    748  CD  LYS A  99       4.488   3.000  -1.609  1.00 72.56           C  
+ATOM    749  CE  LYS A  99       2.959   1.795  -1.600  1.00 73.99           C  
+ATOM    750  NZ  LYS A  99       1.741   2.896  -0.134  1.00 80.12           N  
+ATOM    751  N   LEU A 100       7.785   1.013  -5.037  1.00  9.89           N  
+ATOM    752  CA  LEU A 100       8.665  -0.028  -5.354  1.00  8.80           C  
+ATOM    753  C   LEU A 100       9.884   0.546  -6.019  1.00  9.28           C  
+ATOM    754  O   LEU A 100      11.014   0.165  -5.616  1.00 12.09           O  
+ATOM    755  CB  LEU A 100       8.009  -1.084  -6.185  1.00 11.00           C  
+ATOM    756  CG  LEU A 100       6.724  -1.520  -5.691  1.00 16.83           C  
+ATOM    757  CD1 LEU A 100       6.069  -2.688  -6.703  1.00 20.94           C  
+ATOM    758  CD2 LEU A 100       7.065  -2.491  -4.548  1.00 18.49           C  
+ATOM    759  N   LEU A 101       9.812   1.484  -6.927  1.00  8.39           N  
+ATOM    760  CA  LEU A 101      10.986   2.076  -7.511  1.00 10.30           C  
+ATOM    761  C   LEU A 101      11.701   2.979  -6.551  1.00 14.49           C  
+ATOM    762  O   LEU A 101      12.986   2.948  -6.333  1.00 16.14           O  
+ATOM    763  CB  LEU A 101      10.485   2.971  -8.570  1.00 11.44           C  
+ATOM    764  CG  LEU A 101      11.708   3.704  -9.282  1.00 15.06           C  
+ATOM    765  CD1 LEU A 101      12.805   2.937  -9.771  1.00 17.72           C  
+ATOM    766  CD2 LEU A 101      11.060   4.651 -10.427  1.00 19.38           C  
+ATOM    767  N   SER A 102      11.019   3.662  -5.475  1.00 15.17           N  
+ATOM    768  CA  SER A 102      11.653   4.426  -4.454  1.00  9.19           C  
+ATOM    769  C   SER A 102      12.577   3.423  -3.620  1.00  9.91           C  
+ATOM    770  O   SER A 102      13.768   3.831  -3.267  1.00 14.07           O  
+ATOM    771  CB  SER A 102      10.597   5.003  -3.570  1.00 12.36           C  
+ATOM    772  OG  SER A 102       9.919   6.079  -4.248  1.00 16.52           O  
+ATOM    773  N   HIS A 103      12.034   2.275  -3.168  1.00 12.27           N  
+ATOM    774  CA  HIS A 103      12.685   1.217  -2.471  1.00 10.16           C  
+ATOM    775  C   HIS A 103      14.063   1.009  -3.068  1.00 13.13           C  
+ATOM    776  O   HIS A 103      15.226   0.862  -2.602  1.00 13.37           O  
+ATOM    777  CB  HIS A 103      11.949   0.073  -2.013  1.00 12.31           C  
+ATOM    778  CG  HIS A 103      12.674  -1.002  -1.380  1.00 10.33           C  
+ATOM    779  ND1 HIS A 103      12.899  -2.229  -2.007  1.00 10.01           N  
+ATOM    780  CD2 HIS A 103      13.318  -0.937  -0.179  1.00  9.56           C  
+ATOM    781  CE1 HIS A 103      13.687  -2.798  -1.043  1.00 12.63           C  
+ATOM    782  NE2 HIS A 103      14.053  -2.093   0.083  1.00 10.77           N  
+ATOM    783  N   CYS A 104      13.914   0.657  -4.439  1.00 11.06           N  
+ATOM    784  CA  CYS A 104      15.233   0.205  -5.307  1.00 11.72           C  
+ATOM    785  C   CYS A 104      16.049   1.418  -5.518  1.00  9.58           C  
+ATOM    786  O   CYS A 104      17.228   1.081  -5.567  1.00 14.10           O  
+ATOM    787  CB  CYS A 104      14.671  -0.439  -6.552  1.00 16.81           C  
+ATOM    788  SG  CYS A 104      13.797  -1.958  -6.414  1.00 14.76           S  
+ATOM    789  N   LEU A 105      15.618   2.594  -5.516  1.00  7.99           N  
+ATOM    790  CA  LEU A 105      16.723   3.634  -5.593  1.00 10.43           C  
+ATOM    791  C   LEU A 105      17.448   3.890  -4.202  1.00 11.96           C  
+ATOM    792  O   LEU A 105      18.594   3.985  -4.326  1.00 15.19           O  
+ATOM    793  CB  LEU A 105      15.765   4.895  -6.092  1.00 16.93           C  
+ATOM    794  CG  LEU A 105      15.765   5.438  -7.260  1.00 44.57           C  
+ATOM    795  CD1 LEU A 105      14.641   6.498  -7.442  1.00 40.98           C  
+ATOM    796  CD2 LEU A 105      16.687   5.564  -8.008  1.00 33.21           C  
+ATOM    797  N   LEU A 106      16.617   3.676  -3.143  1.00 10.40           N  
+ATOM    798  CA  LEU A 106      17.322   3.635  -1.869  1.00 15.02           C  
+ATOM    799  C   LEU A 106      18.190   2.641  -1.668  1.00 13.79           C  
+ATOM    800  O   LEU A 106      19.481   2.857  -1.263  1.00 13.12           O  
+ATOM    801  CB  LEU A 106      16.241   3.634  -0.757  1.00 16.59           C  
+ATOM    802  CG  LEU A 106      15.821   4.348   0.036  1.00 26.87           C  
+ATOM    803  CD1 LEU A 106      14.832   4.036   0.973  1.00 28.01           C  
+ATOM    804  CD2 LEU A 106      16.399   5.824   0.153  1.00 18.73           C  
+ATOM    805  N   VAL A 107      18.054   1.391  -2.126  1.00  9.58           N  
+ATOM    806  CA  VAL A 107      18.953   0.372  -2.172  1.00 10.69           C  
+ATOM    807  C   VAL A 107      20.116   0.640  -3.008  1.00 12.39           C  
+ATOM    808  O   VAL A 107      21.316   0.322  -2.651  1.00 13.09           O  
+ATOM    809  CB  VAL A 107      18.301  -0.968  -2.671  1.00 14.48           C  
+ATOM    810  CG1 VAL A 107      19.286  -1.955  -2.913  1.00 19.64           C  
+ATOM    811  CG2 VAL A 107      17.236  -1.532  -1.566  1.00 13.81           C  
+ATOM    812  N   THR A 108      19.963   1.288  -4.127  1.00 12.66           N  
+ATOM    813  CA  THR A 108      21.110   1.595  -5.027  1.00 11.04           C  
+ATOM    814  C   THR A 108      21.986   2.516  -4.350  1.00 11.25           C  
+ATOM    815  O   THR A 108      23.209   2.402  -4.407  1.00 13.68           O  
+ATOM    816  CB  THR A 108      20.373   2.089  -6.467  1.00  8.55           C  
+ATOM    817  OG1 THR A 108      19.740   1.009  -7.110  1.00  9.51           O  
+ATOM    818  CG2 THR A 108      21.547   2.322  -7.342  1.00 15.85           C  
+ATOM    819  N   LEU A 109      21.371   3.638  -3.771  1.00 11.20           N  
+ATOM    820  CA  LEU A 109      22.189   4.682  -3.080  1.00 12.61           C  
+ATOM    821  C   LEU A 109      23.015   3.976  -1.882  1.00 16.09           C  
+ATOM    822  O   LEU A 109      24.210   4.291  -1.739  1.00 14.60           O  
+ATOM    823  CB  LEU A 109      21.280   5.707  -2.657  1.00 17.08           C  
+ATOM    824  CG  LEU A 109      20.748   6.795  -3.713  1.00 24.50           C  
+ATOM    825  CD1 LEU A 109      19.679   7.424  -3.306  1.00 22.52           C  
+ATOM    826  CD2 LEU A 109      21.379   6.943  -4.782  1.00 32.08           C  
+ATOM    827  N   ALA A 110      22.243   3.090  -1.228  1.00 13.55           N  
+ATOM    828  CA  ALA A 110      22.985   2.551  -0.107  1.00 19.86           C  
+ATOM    829  C   ALA A 110      24.128   1.797  -0.396  1.00 18.59           C  
+ATOM    830  O   ALA A 110      25.285   1.654   0.094  1.00 14.76           O  
+ATOM    831  CB  ALA A 110      21.957   1.572   0.573  1.00 17.34           C  
+ATOM    832  N   ALA A 111      24.211   0.998  -1.558  1.00 15.15           N  
+ATOM    833  CA  ALA A 111      25.062   0.161  -2.216  1.00 13.42           C  
+ATOM    834  C   ALA A 111      26.376   1.017  -2.643  1.00 16.84           C  
+ATOM    835  O   ALA A 111      27.331   0.420  -2.883  1.00 21.50           O  
+ATOM    836  CB  ALA A 111      24.726  -0.813  -3.252  1.00 16.85           C  
+ATOM    837  N   HIS A 112      26.089   2.220  -3.063  1.00 17.71           N  
+ATOM    838  CA  HIS A 112      27.174   3.032  -3.686  1.00 25.83           C  
+ATOM    839  C   HIS A 112      27.556   4.174  -2.656  1.00 21.86           C  
+ATOM    840  O   HIS A 112      28.710   4.609  -3.162  1.00 23.07           O  
+ATOM    841  CB  HIS A 112      26.642   3.736  -5.093  1.00 17.12           C  
+ATOM    842  CG  HIS A 112      26.500   2.730  -6.083  1.00 18.91           C  
+ATOM    843  ND1 HIS A 112      27.696   2.669  -6.792  1.00 20.25           N  
+ATOM    844  CD2 HIS A 112      25.457   2.082  -6.643  1.00 13.97           C  
+ATOM    845  CE1 HIS A 112      27.065   1.572  -7.791  1.00 16.16           C  
+ATOM    846  NE2 HIS A 112      25.728   1.142  -7.624  1.00 16.17           N  
+ATOM    847  N   LEU A 113      26.962   4.473  -1.633  1.00 16.18           N  
+ATOM    848  CA  LEU A 113      27.430   5.708  -0.856  1.00 18.52           C  
+ATOM    849  C   LEU A 113      27.676   5.161   0.490  1.00 15.09           C  
+ATOM    850  O   LEU A 113      26.991   5.652   1.418  1.00 22.00           O  
+ATOM    851  CB  LEU A 113      26.385   6.569  -0.567  1.00 26.60           C  
+ATOM    852  CG  LEU A 113      25.991   7.546  -1.915  1.00 26.91           C  
+ATOM    853  CD1 LEU A 113      25.025   8.844  -1.799  1.00 38.78           C  
+ATOM    854  CD2 LEU A 113      27.117   7.882  -2.870  1.00 35.29           C  
+ATOM    855  N   PRO A 114      28.523   4.242   0.795  1.00 18.92           N  
+ATOM    856  CA  PRO A 114      28.714   3.528   2.218  1.00 24.61           C  
+ATOM    857  C   PRO A 114      29.102   4.799   3.218  1.00 23.92           C  
+ATOM    858  O   PRO A 114      28.415   4.826   4.106  1.00 21.99           O  
+ATOM    859  CB  PRO A 114      30.033   2.940   1.849  1.00 23.94           C  
+ATOM    860  CG  PRO A 114      30.698   3.344   0.612  1.00 18.92           C  
+ATOM    861  CD  PRO A 114      29.469   3.904  -0.168  1.00 16.59           C  
+ATOM    862  N   ALA A 115      29.794   5.877   2.767  1.00 18.42           N  
+ATOM    863  CA  ALA A 115      30.159   6.863   3.921  1.00 21.98           C  
+ATOM    864  C   ALA A 115      28.895   7.716   4.285  1.00 22.41           C  
+ATOM    865  O   ALA A 115      28.703   8.192   5.284  1.00 22.94           O  
+ATOM    866  CB  ALA A 115      31.247   7.657   3.369  1.00 30.20           C  
+ATOM    867  N   GLU A 116      28.136   8.035   3.290  1.00 15.58           N  
+ATOM    868  CA  GLU A 116      27.073   9.160   3.429  1.00 17.43           C  
+ATOM    869  C   GLU A 116      25.648   8.548   3.788  1.00 15.97           C  
+ATOM    870  O   GLU A 116      24.768   9.367   4.171  1.00 23.49           O  
+ATOM    871  CB  GLU A 116      26.875   9.750   1.910  1.00 21.21           C  
+ATOM    872  CG  GLU A 116      27.948  10.674   1.482  1.00 24.18           C  
+ATOM    873  CD  GLU A 116      28.950   9.665   0.967  1.00 26.12           C  
+ATOM    874  OE1 GLU A 116      28.992   8.438   0.543  1.00 28.16           O  
+ATOM    875  OE2 GLU A 116      30.132  10.301   0.462  1.00 33.82           O  
+ATOM    876  N   PHE A 117      25.414   7.310   3.661  1.00 16.62           N  
+ATOM    877  CA  PHE A 117      24.245   6.614   3.985  1.00 14.17           C  
+ATOM    878  C   PHE A 117      23.918   6.335   5.559  1.00 17.74           C  
+ATOM    879  O   PHE A 117      23.649   5.222   5.819  1.00 19.92           O  
+ATOM    880  CB  PHE A 117      23.936   5.421   3.086  1.00 12.47           C  
+ATOM    881  CG  PHE A 117      22.448   4.906   2.825  1.00  9.61           C  
+ATOM    882  CD1 PHE A 117      21.681   5.713   2.037  1.00 15.09           C  
+ATOM    883  CD2 PHE A 117      22.071   3.807   3.568  1.00 15.73           C  
+ATOM    884  CE1 PHE A 117      20.396   5.197   1.858  1.00 17.90           C  
+ATOM    885  CE2 PHE A 117      20.593   3.448   3.517  1.00 23.05           C  
+ATOM    886  CZ  PHE A 117      19.914   4.171   2.606  1.00 14.00           C  
+ATOM    887  N   THR A 118      23.856   7.434   6.252  1.00 11.56           N  
+ATOM    888  CA  THR A 118      23.660   7.280   7.655  1.00 10.93           C  
+ATOM    889  C   THR A 118      22.259   6.982   7.820  1.00 15.34           C  
+ATOM    890  O   THR A 118      21.447   7.435   7.051  1.00 14.33           O  
+ATOM    891  CB  THR A 118      23.982   8.621   8.138  1.00 22.78           C  
+ATOM    892  OG1 THR A 118      23.375   9.780   7.827  1.00 25.00           O  
+ATOM    893  CG2 THR A 118      25.586   8.842   8.226  1.00 25.00           C  
+ATOM    894  N   PRO A 119      21.833   6.884   9.086  1.00 16.93           N  
+ATOM    895  CA  PRO A 119      20.398   6.708   9.436  1.00  7.97           C  
+ATOM    896  C   PRO A 119      19.633   7.821   9.121  1.00  9.71           C  
+ATOM    897  O   PRO A 119      18.484   7.899   8.632  1.00 13.14           O  
+ATOM    898  CB  PRO A 119      20.352   6.336  10.909  1.00 15.02           C  
+ATOM    899  CG  PRO A 119      21.556   5.500  11.105  1.00 20.08           C  
+ATOM    900  CD  PRO A 119      22.686   6.188  10.125  1.00 23.85           C  
+ATOM    901  N   ALA A 120      20.184   9.026   9.484  1.00 18.30           N  
+ATOM    902  CA  ALA A 120      19.624  10.215   9.304  1.00 20.48           C  
+ATOM    903  C   ALA A 120      19.441  10.650   7.769  1.00 11.11           C  
+ATOM    904  O   ALA A 120      18.342  11.025   7.255  1.00 14.90           O  
+ATOM    905  CB  ALA A 120      20.042  11.527  10.014  1.00 21.25           C  
+ATOM    906  N   VAL A 121      20.278  10.312   7.027  1.00 15.02           N  
+ATOM    907  CA  VAL A 121      20.243  10.488   5.614  1.00 11.64           C  
+ATOM    908  C   VAL A 121      19.214   9.526   4.899  1.00 13.80           C  
+ATOM    909  O   VAL A 121      18.469   9.919   4.066  1.00 15.60           O  
+ATOM    910  CB  VAL A 121      21.606  10.473   4.939  1.00 16.28           C  
+ATOM    911  CG1 VAL A 121      21.595  10.524   3.309  1.00 17.80           C  
+ATOM    912  CG2 VAL A 121      22.496  11.659   5.330  1.00 19.30           C  
+ATOM    913  N   HIS A 122      19.312   8.350   5.306  1.00 15.45           N  
+ATOM    914  CA  HIS A 122      18.254   7.136   4.913  1.00 11.57           C  
+ATOM    915  C   HIS A 122      16.950   7.952   5.022  1.00 13.88           C  
+ATOM    916  O   HIS A 122      16.085   7.716   4.230  1.00 13.87           O  
+ATOM    917  CB  HIS A 122      18.754   5.950   5.667  1.00 12.36           C  
+ATOM    918  CG  HIS A 122      17.848   4.887   5.471  1.00 15.49           C  
+ATOM    919  ND1 HIS A 122      18.318   3.588   6.013  1.00 14.41           N  
+ATOM    920  CD2 HIS A 122      16.770   4.643   4.716  1.00 16.00           C  
+ATOM    921  CE1 HIS A 122      17.238   2.617   5.530  1.00 20.76           C  
+ATOM    922  NE2 HIS A 122      16.304   3.230   4.756  1.00 17.17           N  
+ATOM    923  N   ALA A 123      16.659   8.268   6.248  1.00 12.31           N  
+ATOM    924  CA  ALA A 123      15.409   8.791   6.637  1.00 12.34           C  
+ATOM    925  C   ALA A 123      14.961   9.969   5.694  1.00 12.36           C  
+ATOM    926  O   ALA A 123      13.756  10.012   5.125  1.00 16.22           O  
+ATOM    927  CB  ALA A 123      15.295   9.229   8.074  1.00 18.20           C  
+ATOM    928  N   SER A 124      15.970  10.909   5.411  1.00 11.72           N  
+ATOM    929  CA  SER A 124      15.641  12.024   4.678  1.00 15.71           C  
+ATOM    930  C   SER A 124      15.409  11.594   3.146  1.00 11.97           C  
+ATOM    931  O   SER A 124      14.491  12.176   2.530  1.00 13.78           O  
+ATOM    932  CB  SER A 124      16.719  13.075   4.649  1.00 17.31           C  
+ATOM    933  OG  SER A 124      16.856  13.618   5.975  1.00 19.36           O  
+ATOM    934  N   LEU A 125      16.244  10.663   2.745  1.00 11.45           N  
+ATOM    935  CA  LEU A 125      16.012  10.336   1.348  1.00  9.77           C  
+ATOM    936  C   LEU A 125      14.814   9.607   1.165  1.00 13.87           C  
+ATOM    937  O   LEU A 125      14.134   9.697   0.072  1.00 12.03           O  
+ATOM    938  CB  LEU A 125      17.131   9.446   0.945  1.00 14.61           C  
+ATOM    939  CG  LEU A 125      18.555   9.965   0.565  1.00 15.39           C  
+ATOM    940  CD1 LEU A 125      19.590   8.976   0.528  1.00 26.84           C  
+ATOM    941  CD2 LEU A 125      18.455  10.851  -0.577  1.00 19.46           C  
+ATOM    942  N   ASP A 126      14.277   8.735   2.034  1.00 13.89           N  
+ATOM    943  CA  ASP A 126      13.042   7.997   2.040  1.00 14.28           C  
+ATOM    944  C   ASP A 126      11.977   8.930   1.898  1.00 13.60           C  
+ATOM    945  O   ASP A 126      10.911   8.959   1.188  1.00 12.25           O  
+ATOM    946  CB  ASP A 126      12.901   7.025   3.127  1.00  9.77           C  
+ATOM    947  CG  ASP A 126      11.751   5.958   3.086  1.00 17.51           C  
+ATOM    948  OD1 ASP A 126      11.597   5.517   1.933  1.00 22.67           O  
+ATOM    949  OD2 ASP A 126      10.812   6.013   3.738  1.00 20.83           O  
+ATOM    950  N   LYS A 127      11.945  10.077   2.732  1.00 11.87           N  
+ATOM    951  CA  LYS A 127      11.051  11.143   2.756  1.00 11.94           C  
+ATOM    952  C   LYS A 127      11.080  11.794   1.382  1.00 16.34           C  
+ATOM    953  O   LYS A 127       9.925  12.173   0.922  1.00 15.26           O  
+ATOM    954  CB  LYS A 127      11.131  11.830   4.210  1.00 27.23           C  
+ATOM    955  CG  LYS A 127      10.719  12.405   4.298  1.00 41.38           C  
+ATOM    956  CD  LYS A 127      10.893  12.716   6.240  1.00 22.35           C  
+ATOM    957  CE  LYS A 127      10.245  13.990   6.093  1.00 24.85           C  
+ATOM    958  NZ  LYS A 127      10.431  14.893   7.319  1.00 27.43           N  
+ATOM    959  N   PHE A 128      12.109  12.155   0.978  1.00  9.60           N  
+ATOM    960  CA  PHE A 128      12.219  12.896  -0.315  1.00  9.45           C  
+ATOM    961  C   PHE A 128      11.648  12.055  -1.437  1.00 11.35           C  
+ATOM    962  O   PHE A 128      10.825  12.624  -2.222  1.00 13.72           O  
+ATOM    963  CB  PHE A 128      13.691  13.118  -0.597  1.00 10.04           C  
+ATOM    964  CG  PHE A 128      13.845  13.645  -2.016  1.00 12.71           C  
+ATOM    965  CD1 PHE A 128      13.433  15.022  -2.350  1.00 22.47           C  
+ATOM    966  CD2 PHE A 128      14.442  12.953  -2.821  1.00 15.10           C  
+ATOM    967  CE1 PHE A 128      13.646  15.369  -3.684  1.00 21.90           C  
+ATOM    968  CE2 PHE A 128      15.006  13.229  -4.197  1.00 24.41           C  
+ATOM    969  CZ  PHE A 128      14.491  14.511  -4.397  1.00 19.00           C  
+ATOM    970  N   LEU A 129      11.863  10.701  -1.438  1.00 10.92           N  
+ATOM    971  CA  LEU A 129      11.247   9.983  -2.588  1.00  8.59           C  
+ATOM    972  C   LEU A 129       9.888   9.762  -2.445  1.00 15.58           C  
+ATOM    973  O   LEU A 129       9.123   9.780  -3.420  1.00 12.33           O  
+ATOM    974  CB  LEU A 129      11.971   8.639  -2.709  1.00 11.08           C  
+ATOM    975  CG  LEU A 129      13.553   8.574  -3.067  1.00 16.43           C  
+ATOM    976  CD1 LEU A 129      14.162   7.385  -2.920  1.00 21.21           C  
+ATOM    977  CD2 LEU A 129      13.509   9.197  -4.648  1.00 24.11           C  
+ATOM    978  N   ALA A 130       9.315   9.777  -1.285  1.00 13.59           N  
+ATOM    979  CA  ALA A 130       7.861   9.751  -0.992  1.00 12.80           C  
+ATOM    980  C   ALA A 130       7.198  11.000  -1.487  1.00 13.10           C  
+ATOM    981  O   ALA A 130       6.124  11.123  -2.087  1.00 16.72           O  
+ATOM    982  CB  ALA A 130       7.566   9.549   0.507  1.00 11.70           C  
+ATOM    983  N   SER A 131       7.929  12.205  -1.316  1.00 12.15           N  
+ATOM    984  CA  SER A 131       7.318  13.421  -1.788  1.00 17.97           C  
+ATOM    985  C   SER A 131       7.403  13.484  -3.383  1.00 14.23           C  
+ATOM    986  O   SER A 131       6.313  14.078  -3.819  1.00 17.89           O  
+ATOM    987  CB  SER A 131       8.230  14.652  -1.217  1.00 19.09           C  
+ATOM    988  OG  SER A 131       7.985  14.599  -0.027  1.00 34.89           O  
+ATOM    989  N   VAL A 132       8.509  13.092  -3.817  1.00 11.02           N  
+ATOM    990  CA  VAL A 132       8.474  13.187  -5.332  1.00 13.44           C  
+ATOM    991  C   VAL A 132       7.379  12.239  -5.739  1.00 13.26           C  
+ATOM    992  O   VAL A 132       6.574  12.766  -6.727  1.00 14.28           O  
+ATOM    993  CB  VAL A 132       9.676  12.669  -5.775  1.00 17.47           C  
+ATOM    994  CG1 VAL A 132       9.886  12.366  -7.268  1.00 23.96           C  
+ATOM    995  CG2 VAL A 132      10.893  13.605  -5.556  1.00 15.24           C  
+ATOM    996  N   SER A 133       7.084  11.034  -5.279  1.00 11.44           N  
+ATOM    997  CA  SER A 133       6.003  10.145  -5.616  1.00 14.28           C  
+ATOM    998  C   SER A 133       4.653  10.824  -5.346  1.00 22.70           C  
+ATOM    999  O   SER A 133       3.857  10.661  -6.312  1.00 18.73           O  
+ATOM   1000  CB  SER A 133       6.206   8.913  -4.797  1.00 14.07           C  
+ATOM   1001  OG  SER A 133       7.326   8.157  -5.136  1.00 16.41           O  
+ATOM   1002  N   THR A 134       4.415  11.603  -4.390  1.00 14.75           N  
+ATOM   1003  CA  THR A 134       3.185  12.188  -4.293  1.00 11.93           C  
+ATOM   1004  C   THR A 134       3.018  13.180  -5.135  1.00 12.33           C  
+ATOM   1005  O   THR A 134       1.906  13.411  -5.657  1.00 15.87           O  
+ATOM   1006  CB  THR A 134       3.337  12.691  -2.840  1.00 23.98           C  
+ATOM   1007  OG1 THR A 134       3.226  11.963  -1.926  1.00 24.65           O  
+ATOM   1008  CG2 THR A 134       2.127  13.740  -2.527  1.00 35.48           C  
+ATOM   1009  N   VAL A 135       3.914  14.063  -5.633  1.00 16.85           N  
+ATOM   1010  CA  VAL A 135       3.773  15.122  -6.561  1.00 15.02           C  
+ATOM   1011  C   VAL A 135       3.692  14.401  -7.901  1.00 18.49           C  
+ATOM   1012  O   VAL A 135       2.676  14.854  -8.623  1.00 17.84           O  
+ATOM   1013  CB  VAL A 135       5.097  16.044  -6.643  1.00 21.41           C  
+ATOM   1014  CG1 VAL A 135       5.125  16.829  -7.908  1.00 28.88           C  
+ATOM   1015  CG2 VAL A 135       5.265  16.767  -5.381  1.00 18.54           C  
+ATOM   1016  N   LEU A 136       4.254  13.322  -8.291  1.00 15.13           N  
+ATOM   1017  CA  LEU A 136       3.951  12.616  -9.538  1.00 14.14           C  
+ATOM   1018  C   LEU A 136       2.480  12.083  -9.717  1.00 16.82           C  
+ATOM   1019  O   LEU A 136       2.071  11.725 -10.914  1.00 16.56           O  
+ATOM   1020  CB  LEU A 136       5.082  11.671  -9.878  1.00 19.05           C  
+ATOM   1021  CG  LEU A 136       6.468  12.174 -10.486  1.00 19.99           C  
+ATOM   1022  CD1 LEU A 136       7.357  11.046 -10.401  1.00 23.33           C  
+ATOM   1023  CD2 LEU A 136       6.502  13.371 -11.272  1.00 20.84           C  
+ATOM   1024  N   THR A 137       1.951  11.790  -8.618  1.00 14.14           N  
+ATOM   1025  CA  THR A 137       0.509  10.996  -8.584  1.00 17.11           C  
+ATOM   1026  C   THR A 137      -0.385  12.070  -8.267  1.00 15.43           C  
+ATOM   1027  O   THR A 137      -1.637  11.700  -8.230  1.00 15.99           O  
+ATOM   1028  CB  THR A 137       0.560   9.964  -6.978  1.00 17.27           C  
+ATOM   1029  OG1 THR A 137       1.278   8.939  -8.074  1.00 28.37           O  
+ATOM   1030  CG2 THR A 137       1.320  10.263  -6.388  1.00 47.04           C  
+ATOM   1031  N   SER A 138      -0.164  13.266  -8.168  1.00 16.91           N  
+ATOM   1032  CA  SER A 138      -0.947  14.363  -7.753  1.00 23.51           C  
+ATOM   1033  C   SER A 138      -2.266  14.743  -8.597  1.00 23.60           C  
+ATOM   1034  O   SER A 138      -3.250  14.937  -8.017  1.00 27.80           O  
+ATOM   1035  CB  SER A 138       0.046  16.222  -7.976  1.00 22.76           C  
+ATOM   1036  OG  SER A 138      -0.261  15.617  -6.862  1.00 45.85           O  
+ATOM   1037  N   LYS A 139      -2.026  14.453  -9.807  1.00 19.13           N  
+ATOM   1038  CA  LYS A 139      -3.058  14.995 -10.892  1.00 21.43           C  
+ATOM   1039  C   LYS A 139      -3.804  13.721 -11.284  1.00 18.35           C  
+ATOM   1040  O   LYS A 139      -4.384  13.814 -12.266  1.00 22.16           O  
+ATOM   1041  CB  LYS A 139      -2.474  15.794 -11.975  1.00 24.13           C  
+ATOM   1042  CG  LYS A 139      -1.839  16.973 -11.481  1.00 28.98           C  
+ATOM   1043  CD  LYS A 139      -0.886  17.619 -12.549  1.00 33.18           C  
+ATOM   1044  CE  LYS A 139      -0.495  18.885 -12.192  1.00 52.82           C  
+ATOM   1045  NZ  LYS A 139       0.788  19.253 -13.621  1.00 55.02           N  
+ATOM   1046  N   TYR A 140      -3.715  12.530 -10.777  1.00 17.12           N  
+ATOM   1047  CA  TYR A 140      -4.275  11.374 -11.162  1.00 22.48           C  
+ATOM   1048  C   TYR A 140      -5.830  11.291 -11.160  1.00 18.75           C  
+ATOM   1049  O   TYR A 140      -6.423  10.704 -12.162  1.00 22.47           O  
+ATOM   1050  CB  TYR A 140      -3.896  10.028 -10.426  1.00 23.15           C  
+ATOM   1051  CG  TYR A 140      -2.655   9.444 -11.006  1.00 15.57           C  
+ATOM   1052  CD1 TYR A 140      -2.495   7.940 -11.096  1.00 16.98           C  
+ATOM   1053  CD2 TYR A 140      -1.471  10.093 -11.392  1.00 18.11           C  
+ATOM   1054  CE1 TYR A 140      -1.296   7.400 -11.625  1.00 19.97           C  
+ATOM   1055  CE2 TYR A 140      -0.267   9.379 -11.806  1.00 14.94           C  
+ATOM   1056  CZ  TYR A 140      -0.246   7.948 -11.911  1.00 17.89           C  
+ATOM   1057  OH  TYR A 140       0.808   7.493 -12.283  1.00 18.05           O  
+ATOM   1058  N   ARG A 141      -6.399  12.034 -10.391  1.00 17.59           N  
+ATOM   1059  CA  ARG A 141      -8.000  12.137 -10.191  1.00 24.58           C  
+ATOM   1060  C   ARG A 141      -8.327  13.610  -9.572  1.00 44.44           C  
+ATOM   1061  O   ARG A 141      -7.492  14.016  -8.882  1.00 21.81           O  
+ATOM   1062  CB  ARG A 141      -8.478  10.914  -9.869  1.00 33.40           C  
+ATOM   1063  CG  ARG A 141      -8.068  10.650  -8.145  1.00 17.28           C  
+ATOM   1064  CD  ARG A 141      -9.053   9.446  -7.867  1.00 14.66           C  
+ATOM   1065  NE  ARG A 141      -8.372   9.269  -6.610  1.00 22.73           N  
+ATOM   1066  CZ  ARG A 141      -9.233   8.420  -5.781  1.00 26.88           C  
+ATOM   1067  NH1 ARG A 141     -10.147   7.455  -6.079  1.00 23.24           N  
+ATOM   1068  NH2 ARG A 141      -8.672   8.328  -4.506  1.00 33.34           N  
+ATOM   1069  OXT ARG A 141      -9.474  13.682  -9.742  1.00 31.52           O  
+TER    1070      ARG A 141                                                      
+ATOM   1071  N   VAL B   1       9.223 -20.614   1.365  1.00 46.08           N  
+ATOM   1072  CA  VAL B   1       8.694 -20.026  -0.123  1.00 70.96           C  
+ATOM   1073  C   VAL B   1       9.668 -21.068  -1.645  1.00 69.74           C  
+ATOM   1074  O   VAL B   1       9.370 -22.612  -0.994  1.00 71.82           O  
+ATOM   1075  CB  VAL B   1       9.283 -18.281  -0.381  1.00 59.18           C  
+ATOM   1076  CG1 VAL B   1       7.449 -17.518  -0.791  1.00 57.89           C  
+ATOM   1077  CG2 VAL B   1      10.416 -18.038   0.066  1.00 44.20           C  
+ATOM   1078  N   HIS B   2       9.270 -20.650  -2.180  1.00 53.55           N  
+ATOM   1079  CA  HIS B   2      10.245 -21.378  -3.143  1.00 62.62           C  
+ATOM   1080  C   HIS B   2      11.419 -20.331  -4.099  1.00 51.71           C  
+ATOM   1081  O   HIS B   2      11.252 -19.250  -5.024  1.00 48.42           O  
+ATOM   1082  CB  HIS B   2       9.225 -20.955  -4.825  1.00 62.58           C  
+ATOM   1083  CG  HIS B   2       9.378 -21.082  -5.634  1.00 73.96           C  
+ATOM   1084  ND1 HIS B   2       9.645 -19.683  -6.869  1.00 80.12           N  
+ATOM   1085  CD2 HIS B   2      10.077 -22.950  -6.116  1.00 63.02           C  
+ATOM   1086  CE1 HIS B   2      10.672 -21.165  -8.087  1.00 76.40           C  
+ATOM   1087  NE2 HIS B   2      11.344 -22.584  -7.734  1.00 62.86           N  
+ATOM   1088  N   LEU B   3      12.365 -20.722  -3.649  1.00 43.89           N  
+ATOM   1089  CA  LEU B   3      13.611 -20.183  -4.477  1.00 43.79           C  
+ATOM   1090  C   LEU B   3      14.557 -21.356  -5.125  1.00 32.77           C  
+ATOM   1091  O   LEU B   3      14.340 -22.536  -4.780  1.00 41.84           O  
+ATOM   1092  CB  LEU B   3      14.522 -19.852  -2.996  1.00 28.80           C  
+ATOM   1093  CG  LEU B   3      13.980 -18.598  -2.183  1.00 28.70           C  
+ATOM   1094  CD1 LEU B   3      14.846 -18.445  -1.199  1.00 63.39           C  
+ATOM   1095  CD2 LEU B   3      14.509 -17.517  -3.001  1.00 32.10           C  
+ATOM   1096  N   THR B   4      14.840 -20.756  -6.280  1.00 42.35           N  
+ATOM   1097  CA  THR B   4      15.864 -21.825  -6.744  1.00 41.74           C  
+ATOM   1098  C   THR B   4      16.873 -22.187  -6.071  1.00 36.91           C  
+ATOM   1099  O   THR B   4      17.370 -21.395  -5.237  1.00 31.57           O  
+ATOM   1100  CB  THR B   4      15.949 -21.050  -8.090  1.00 38.91           C  
+ATOM   1101  OG1 THR B   4      16.952 -20.015  -8.082  1.00 52.85           O  
+ATOM   1102  CG2 THR B   4      14.967 -20.467  -9.056  1.00 56.94           C  
+ATOM   1103  N   PRO B   5      17.854 -23.111  -6.524  1.00 45.56           N  
+ATOM   1104  CA  PRO B   5      18.731 -23.731  -6.023  1.00 47.54           C  
+ATOM   1105  C   PRO B   5      19.935 -22.444  -5.760  1.00 37.80           C  
+ATOM   1106  O   PRO B   5      20.658 -22.372  -4.793  1.00 33.06           O  
+ATOM   1107  CB  PRO B   5      19.534 -24.900  -6.291  1.00 62.12           C  
+ATOM   1108  CG  PRO B   5      18.296 -25.318  -7.157  1.00 42.55           C  
+ATOM   1109  CD  PRO B   5      17.186 -24.560  -7.385  1.00 48.08           C  
+ATOM   1110  N   GLU B   6      19.819 -21.815  -6.978  1.00 27.00           N  
+ATOM   1111  CA  GLU B   6      20.898 -20.991  -7.230  1.00 34.37           C  
+ATOM   1112  C   GLU B   6      20.521 -19.635  -6.155  1.00 23.02           C  
+ATOM   1113  O   GLU B   6      21.687 -18.920  -5.617  1.00 28.54           O  
+ATOM   1114  CB  GLU B   6      20.842 -20.165  -8.661  1.00 37.20           C  
+ATOM   1115  CG  GLU B   6      20.141 -19.957  -9.396  1.00 66.65           C  
+ATOM   1116  CD  GLU B   6      19.153 -21.597 -10.181  1.00 60.44           C  
+ATOM   1117  OE1 GLU B   6      20.183 -22.830  -9.731  1.00 63.16           O  
+ATOM   1118  OE2 GLU B   6      18.299 -21.975 -10.007  1.00 70.62           O  
+ATOM   1119  N   GLU B   7      19.362 -19.413  -5.964  1.00 31.47           N  
+ATOM   1120  CA  GLU B   7      18.560 -18.284  -5.124  1.00 34.08           C  
+ATOM   1121  C   GLU B   7      19.160 -18.789  -3.682  1.00 21.49           C  
+ATOM   1122  O   GLU B   7      19.620 -17.847  -3.008  1.00 27.04           O  
+ATOM   1123  CB  GLU B   7      17.625 -18.097  -5.359  1.00 35.55           C  
+ATOM   1124  CG  GLU B   7      17.103 -17.196  -6.791  1.00 33.74           C  
+ATOM   1125  CD  GLU B   7      15.759 -16.911  -6.659  1.00 31.89           C  
+ATOM   1126  OE1 GLU B   7      15.476 -15.756  -7.225  1.00 52.51           O  
+ATOM   1127  OE2 GLU B   7      14.748 -17.803  -6.419  1.00 32.56           O  
+ATOM   1128  N   LYS B   8      18.747 -19.865  -3.237  1.00 26.08           N  
+ATOM   1129  CA  LYS B   8      19.026 -20.305  -2.016  1.00 32.23           C  
+ATOM   1130  C   LYS B   8      20.466 -20.216  -1.796  1.00 26.59           C  
+ATOM   1131  O   LYS B   8      21.162 -19.731  -0.601  1.00 26.11           O  
+ATOM   1132  CB  LYS B   8      18.395 -21.925  -1.875  1.00 36.34           C  
+ATOM   1133  CG  LYS B   8      18.802 -22.252  -1.182  1.00 64.20           C  
+ATOM   1134  CD  LYS B   8      18.769 -23.771  -0.248  1.00 73.64           C  
+ATOM   1135  CE  LYS B   8      19.461 -24.137   0.849  1.00 79.30           C  
+ATOM   1136  NZ  LYS B   8      19.874 -26.365   1.034  1.00 66.73           N  
+ATOM   1137  N   SER B   9      21.467 -20.675  -2.533  1.00 23.88           N  
+ATOM   1138  CA  SER B   9      22.559 -20.677  -2.426  1.00 36.76           C  
+ATOM   1139  C   SER B   9      23.490 -19.070  -2.230  1.00 37.61           C  
+ATOM   1140  O   SER B   9      24.284 -18.831  -1.430  1.00 28.84           O  
+ATOM   1141  CB  SER B   9      23.619 -21.853  -3.256  1.00 36.63           C  
+ATOM   1142  OG  SER B   9      23.958 -20.627  -4.033  1.00 64.02           O  
+ATOM   1143  N   ALA B  10      22.719 -18.196  -3.034  1.00 21.54           N  
+ATOM   1144  CA  ALA B  10      23.262 -17.029  -2.963  1.00 32.77           C  
+ATOM   1145  C   ALA B  10      22.792 -16.202  -1.459  1.00 23.64           C  
+ATOM   1146  O   ALA B  10      23.628 -15.408  -0.898  1.00 26.26           O  
+ATOM   1147  CB  ALA B  10      22.504 -16.176  -3.856  1.00 30.88           C  
+ATOM   1148  N   VAL B  11      21.589 -16.575  -0.940  1.00 22.75           N  
+ATOM   1149  CA  VAL B  11      21.174 -16.108   0.417  1.00 18.12           C  
+ATOM   1150  C   VAL B  11      22.242 -16.512   1.434  1.00 18.13           C  
+ATOM   1151  O   VAL B  11      22.655 -15.680   2.245  1.00 19.40           O  
+ATOM   1152  CB  VAL B  11      19.853 -16.542   0.518  1.00 19.48           C  
+ATOM   1153  CG1 VAL B  11      19.403 -16.415   1.946  1.00 26.15           C  
+ATOM   1154  CG2 VAL B  11      18.815 -15.702  -0.276  1.00 23.37           C  
+ATOM   1155  N   THR B  12      22.386 -17.775   1.358  1.00 19.01           N  
+ATOM   1156  CA  THR B  12      23.153 -18.592   2.377  1.00 25.04           C  
+ATOM   1157  C   THR B  12      24.569 -18.098   2.437  1.00 20.68           C  
+ATOM   1158  O   THR B  12      25.254 -17.692   3.335  1.00 23.87           O  
+ATOM   1159  CB  THR B  12      23.196 -20.284   2.185  1.00 42.63           C  
+ATOM   1160  OG1 THR B  12      22.010 -20.433   2.444  1.00 42.78           O  
+ATOM   1161  CG2 THR B  12      23.729 -20.348   1.974  1.00 67.38           C  
+ATOM   1162  N   ALA B  13      25.190 -17.913   1.267  1.00 22.79           N  
+ATOM   1163  CA  ALA B  13      26.401 -17.387   1.166  1.00 26.66           C  
+ATOM   1164  C   ALA B  13      26.828 -16.135   1.582  1.00 26.26           C  
+ATOM   1165  O   ALA B  13      27.614 -15.809   2.378  1.00 27.07           O  
+ATOM   1166  CB  ALA B  13      26.857 -17.378  -0.445  1.00 26.35           C  
+ATOM   1167  N   LEU B  14      25.928 -14.999   1.236  1.00 15.70           N  
+ATOM   1168  CA  LEU B  14      26.092 -13.737   1.994  1.00 15.10           C  
+ATOM   1169  C   LEU B  14      25.996 -13.791   3.419  1.00 17.25           C  
+ATOM   1170  O   LEU B  14      26.440 -13.013   4.127  1.00 15.43           O  
+ATOM   1171  CB  LEU B  14      25.023 -12.816   1.145  1.00 16.82           C  
+ATOM   1172  CG  LEU B  14      25.284 -11.388   1.257  1.00 27.27           C  
+ATOM   1173  CD1 LEU B  14      26.470 -10.984   0.911  1.00 40.43           C  
+ATOM   1174  CD2 LEU B  14      23.923 -10.655   1.151  1.00 24.81           C  
+ATOM   1175  N   TRP B  15      24.847 -14.542   3.847  1.00 17.75           N  
+ATOM   1176  CA  TRP B  15      24.543 -14.533   5.293  1.00 20.73           C  
+ATOM   1177  C   TRP B  15      25.779 -15.040   6.144  1.00 17.66           C  
+ATOM   1178  O   TRP B  15      25.791 -14.500   7.295  1.00 18.75           O  
+ATOM   1179  CB  TRP B  15      23.337 -15.255   5.477  1.00 17.11           C  
+ATOM   1180  CG  TRP B  15      22.785 -14.972   6.964  1.00 17.91           C  
+ATOM   1181  CD1 TRP B  15      22.809 -15.647   8.020  1.00 21.87           C  
+ATOM   1182  CD2 TRP B  15      21.992 -13.854   7.213  1.00 17.58           C  
+ATOM   1183  NE1 TRP B  15      22.135 -15.153   9.079  1.00 18.04           N  
+ATOM   1184  CE2 TRP B  15      21.659 -13.824   8.669  1.00 16.29           C  
+ATOM   1185  CE3 TRP B  15      21.610 -12.684   6.475  1.00 16.29           C  
+ATOM   1186  CZ2 TRP B  15      20.847 -12.810   9.252  1.00 25.87           C  
+ATOM   1187  CZ3 TRP B  15      20.839 -11.689   7.176  1.00 17.96           C  
+ATOM   1188  CH2 TRP B  15      20.450 -11.898   8.453  1.00 24.12           C  
+ATOM   1189  N   GLY B  16      26.491 -15.885   5.456  1.00 18.59           N  
+ATOM   1190  CA  GLY B  16      27.793 -16.367   6.203  1.00 18.72           C  
+ATOM   1191  C   GLY B  16      28.640 -15.293   6.479  1.00 24.14           C  
+ATOM   1192  O   GLY B  16      29.526 -15.462   7.418  1.00 24.08           O  
+ATOM   1193  N   LYS B  17      28.533 -14.214   5.902  1.00 16.20           N  
+ATOM   1194  CA  LYS B  17      29.341 -13.100   6.055  1.00 17.17           C  
+ATOM   1195  C   LYS B  17      28.732 -12.165   6.877  1.00 17.84           C  
+ATOM   1196  O   LYS B  17      29.459 -11.044   7.345  1.00 23.03           O  
+ATOM   1197  CB  LYS B  17      29.636 -12.212   4.866  1.00 27.63           C  
+ATOM   1198  CG  LYS B  17      30.260 -13.332   3.793  1.00 26.84           C  
+ATOM   1199  CD  LYS B  17      30.681 -12.758   2.663  1.00 36.92           C  
+ATOM   1200  CE  LYS B  17      31.201 -13.748   1.394  1.00 48.09           C  
+ATOM   1201  NZ  LYS B  17      31.749 -12.471   0.760  1.00 51.60           N  
+ATOM   1202  N   VAL B  18      27.632 -12.163   7.561  1.00 19.79           N  
+ATOM   1203  CA  VAL B  18      26.839 -11.228   8.296  1.00 15.59           C  
+ATOM   1204  C   VAL B  18      27.221 -11.355   9.806  1.00 24.20           C  
+ATOM   1205  O   VAL B  18      27.181 -12.396  10.461  1.00 22.49           O  
+ATOM   1206  CB  VAL B  18      25.375 -11.611   8.249  1.00 13.43           C  
+ATOM   1207  CG1 VAL B  18      24.680 -10.797   9.203  1.00 20.38           C  
+ATOM   1208  CG2 VAL B  18      25.124 -10.816   6.753  1.00 25.54           C  
+ATOM   1209  N   ASN B  19      27.508 -10.243  10.525  1.00 20.52           N  
+ATOM   1210  CA  ASN B  19      27.647 -10.334  12.056  1.00 15.58           C  
+ATOM   1211  C   ASN B  19      26.161 -10.008  12.553  1.00 13.56           C  
+ATOM   1212  O   ASN B  19      25.706  -8.798  12.411  1.00 14.77           O  
+ATOM   1213  CB  ASN B  19      28.532  -9.065  12.579  1.00 26.08           C  
+ATOM   1214  CG  ASN B  19      28.340  -8.916  14.065  1.00 29.11           C  
+ATOM   1215  OD1 ASN B  19      27.732  -9.412  14.784  1.00 27.77           O  
+ATOM   1216  ND2 ASN B  19      29.702  -8.401  14.383  1.00 33.88           N  
+ATOM   1217  N   VAL B  20      25.621 -11.024  13.009  1.00 18.83           N  
+ATOM   1218  CA  VAL B  20      24.087 -11.031  13.284  1.00 19.05           C  
+ATOM   1219  C   VAL B  20      23.851 -10.149  14.214  1.00 20.02           C  
+ATOM   1220  O   VAL B  20      22.901  -9.142  14.245  1.00 17.50           O  
+ATOM   1221  CB  VAL B  20      23.694 -12.517  13.598  1.00 25.16           C  
+ATOM   1222  CG1 VAL B  20      22.215 -12.356  13.912  1.00 29.32           C  
+ATOM   1223  CG2 VAL B  20      23.748 -13.338  12.333  1.00 21.26           C  
+ATOM   1224  N   ASP B  21      24.547  -9.725  15.239  1.00 19.64           N  
+ATOM   1225  CA  ASP B  21      24.274  -8.816  16.395  1.00 20.67           C  
+ATOM   1226  C   ASP B  21      24.562  -7.492  15.870  1.00 18.97           C  
+ATOM   1227  O   ASP B  21      23.606  -6.622  16.080  1.00 21.29           O  
+ATOM   1228  CB  ASP B  21      25.312  -9.108  17.415  1.00 34.10           C  
+ATOM   1229  CG  ASP B  21      25.029 -10.570  18.492  1.00 53.28           C  
+ATOM   1230  OD1 ASP B  21      23.848 -10.805  18.323  1.00 40.86           O  
+ATOM   1231  OD2 ASP B  21      25.861 -10.240  19.644  1.00 50.69           O  
+ATOM   1232  N   GLU B  22      25.464  -7.225  14.999  1.00 17.77           N  
+ATOM   1233  CA  GLU B  22      25.739  -5.702  14.538  1.00 21.32           C  
+ATOM   1234  C   GLU B  22      24.523  -5.287  13.546  1.00 17.53           C  
+ATOM   1235  O   GLU B  22      23.957  -4.290  13.703  1.00 21.51           O  
+ATOM   1236  CB  GLU B  22      27.018  -5.846  13.812  1.00 24.38           C  
+ATOM   1237  CG  GLU B  22      27.214  -4.730  13.144  1.00 38.60           C  
+ATOM   1238  CD  GLU B  22      28.169  -3.862  11.812  1.00 75.75           C  
+ATOM   1239  OE1 GLU B  22      28.555  -5.400  11.034  1.00 53.89           O  
+ATOM   1240  OE2 GLU B  22      29.808  -4.745  12.821  1.00 65.14           O  
+ATOM   1241  N   VAL B  23      24.347  -6.274  12.578  1.00 19.15           N  
+ATOM   1242  CA  VAL B  23      23.303  -6.039  11.518  1.00 16.52           C  
+ATOM   1243  C   VAL B  23      21.857  -5.985  12.342  1.00 19.25           C  
+ATOM   1244  O   VAL B  23      20.964  -5.128  11.822  1.00 16.10           O  
+ATOM   1245  CB  VAL B  23      23.294  -7.123  10.403  1.00 21.83           C  
+ATOM   1246  CG1 VAL B  23      22.065  -7.019   9.672  1.00 26.98           C  
+ATOM   1247  CG2 VAL B  23      24.689  -6.722   9.825  1.00 24.14           C  
+ATOM   1248  N   GLY B  24      21.684  -6.753  13.284  1.00 11.83           N  
+ATOM   1249  CA  GLY B  24      20.512  -6.666  14.003  1.00 15.96           C  
+ATOM   1250  C   GLY B  24      20.131  -5.391  14.689  1.00 15.32           C  
+ATOM   1251  O   GLY B  24      19.133  -4.694  14.628  1.00 13.59           O  
+ATOM   1252  N   GLY B  25      21.093  -4.853  15.395  1.00 19.52           N  
+ATOM   1253  CA  GLY B  25      21.202  -3.549  15.972  1.00 15.79           C  
+ATOM   1254  C   GLY B  25      20.921  -2.401  14.917  1.00 12.82           C  
+ATOM   1255  O   GLY B  25      20.200  -1.481  15.135  1.00 18.05           O  
+ATOM   1256  N   GLU B  26      21.598  -2.510  13.849  1.00 12.16           N  
+ATOM   1257  CA  GLU B  26      21.567  -1.493  12.736  1.00 11.32           C  
+ATOM   1258  C   GLU B  26      20.042  -1.534  12.176  1.00 13.79           C  
+ATOM   1259  O   GLU B  26      19.605  -0.362  11.944  1.00 14.59           O  
+ATOM   1260  CB  GLU B  26      22.564  -1.757  11.778  1.00 13.18           C  
+ATOM   1261  CG  GLU B  26      23.022  -0.301  10.974  1.00 29.90           C  
+ATOM   1262  CD  GLU B  26      23.535   0.894  10.508  1.00 51.34           C  
+ATOM   1263  OE1 GLU B  26      23.767  -0.209   7.916  1.00 54.93           O  
+ATOM   1264  OE2 GLU B  26      24.549  -1.302  10.298  1.00 37.93           O  
+ATOM   1265  N   ALA B  27      19.659  -2.698  11.904  1.00 13.14           N  
+ATOM   1266  CA  ALA B  27      18.339  -2.622  11.197  1.00  9.05           C  
+ATOM   1267  C   ALA B  27      17.188  -2.188  12.064  1.00 10.83           C  
+ATOM   1268  O   ALA B  27      16.247  -1.538  11.698  1.00 11.12           O  
+ATOM   1269  CB  ALA B  27      18.124  -4.039  10.850  1.00 14.07           C  
+ATOM   1270  N   LEU B  28      17.097  -2.654  13.364  1.00 11.19           N  
+ATOM   1271  CA  LEU B  28      16.289  -2.225  14.403  1.00 14.47           C  
+ATOM   1272  C   LEU B  28      16.216  -0.842  14.498  1.00 12.13           C  
+ATOM   1273  O   LEU B  28      15.292  -0.024  14.599  1.00 12.32           O  
+ATOM   1274  CB  LEU B  28      16.089  -3.101  15.599  1.00  9.21           C  
+ATOM   1275  CG  LEU B  28      14.602  -2.613  16.344  1.00 20.67           C  
+ATOM   1276  CD1 LEU B  28      13.558  -3.287  15.723  1.00 17.60           C  
+ATOM   1277  CD2 LEU B  28      15.036  -3.349  17.556  1.00 34.99           C  
+ATOM   1278  N   GLY B  29      17.488  -0.244  14.733  1.00 10.00           N  
+ATOM   1279  CA  GLY B  29      17.555   1.107  14.942  1.00 15.27           C  
+ATOM   1280  C   GLY B  29      17.147   1.979  13.686  1.00 10.88           C  
+ATOM   1281  O   GLY B  29      16.406   2.945  13.855  1.00 14.42           O  
+ATOM   1282  N   ARG B  30      17.503   1.503  12.514  1.00 11.39           N  
+ATOM   1283  CA  ARG B  30      17.138   2.392  11.410  1.00 14.49           C  
+ATOM   1284  C   ARG B  30      15.517   2.168  11.180  1.00 10.79           C  
+ATOM   1285  O   ARG B  30      14.997   3.218  10.749  1.00 13.81           O  
+ATOM   1286  CB  ARG B  30      17.883   1.854  10.134  1.00 19.88           C  
+ATOM   1287  CG  ARG B  30      19.264   2.550   9.848  1.00 16.11           C  
+ATOM   1288  CD  ARG B  30      19.816   1.919   8.615  1.00 14.71           C  
+ATOM   1289  NE  ARG B  30      21.229   2.190   8.567  1.00 21.05           N  
+ATOM   1290  CZ  ARG B  30      21.899   3.048   7.943  1.00 18.56           C  
+ATOM   1291  NH1 ARG B  30      21.169   3.859   7.078  1.00 19.13           N  
+ATOM   1292  NH2 ARG B  30      23.126   3.441   7.930  1.00 19.91           N  
+ATOM   1293  N   LEU B  31      14.954   1.034  11.546  1.00 12.04           N  
+ATOM   1294  CA  LEU B  31      13.557   0.954  11.581  1.00 10.54           C  
+ATOM   1295  C   LEU B  31      13.079   2.129  12.312  1.00 13.93           C  
+ATOM   1296  O   LEU B  31      12.053   2.837  11.993  1.00 14.67           O  
+ATOM   1297  CB  LEU B  31      12.999  -0.394  11.933  1.00 12.99           C  
+ATOM   1298  CG  LEU B  31      11.476  -0.524  12.150  1.00 10.97           C  
+ATOM   1299  CD1 LEU B  31      11.036  -0.535  10.722  1.00 19.46           C  
+ATOM   1300  CD2 LEU B  31      11.106  -1.700  13.040  1.00 13.98           C  
+ATOM   1301  N   LEU B  32      13.531   2.329  13.530  1.00 10.13           N  
+ATOM   1302  CA  LEU B  32      12.882   3.156  14.401  1.00 11.52           C  
+ATOM   1303  C   LEU B  32      13.149   4.616  14.057  1.00 12.11           C  
+ATOM   1304  O   LEU B  32      12.467   5.633  14.438  1.00 15.31           O  
+ATOM   1305  CB  LEU B  32      13.453   3.038  15.919  1.00 11.75           C  
+ATOM   1306  CG  LEU B  32      12.805   1.940  16.581  1.00 16.68           C  
+ATOM   1307  CD1 LEU B  32      12.104   0.941  16.260  1.00 22.26           C  
+ATOM   1308  CD2 LEU B  32      13.566   1.603  17.835  1.00 28.90           C  
+ATOM   1309  N   VAL B  33      14.250   4.899  13.351  1.00 10.32           N  
+ATOM   1310  CA  VAL B  33      14.628   6.174  12.868  1.00 11.98           C  
+ATOM   1311  C   VAL B  33      13.704   6.548  11.535  1.00 12.10           C  
+ATOM   1312  O   VAL B  33      13.345   7.771  11.481  1.00 13.28           O  
+ATOM   1313  CB  VAL B  33      16.139   6.304  12.522  1.00 14.87           C  
+ATOM   1314  CG1 VAL B  33      16.518   7.591  11.880  1.00 11.54           C  
+ATOM   1315  CG2 VAL B  33      16.745   6.275  13.788  1.00 16.57           C  
+ATOM   1316  N   VAL B  34      13.820   5.650  10.638  1.00 13.66           N  
+ATOM   1317  CA  VAL B  34      13.156   6.096   9.258  1.00  9.59           C  
+ATOM   1318  C   VAL B  34      11.591   6.042   9.368  1.00  8.72           C  
+ATOM   1319  O   VAL B  34      11.052   6.910   8.763  1.00  9.42           O  
+ATOM   1320  CB  VAL B  34      13.681   5.042   8.326  1.00  9.09           C  
+ATOM   1321  CG1 VAL B  34      13.079   5.328   6.958  1.00  9.82           C  
+ATOM   1322  CG2 VAL B  34      15.076   5.133   8.253  1.00 17.00           C  
+ATOM   1323  N   TYR B  35      11.088   5.155  10.260  1.00 10.80           N  
+ATOM   1324  CA  TYR B  35       9.613   5.019  10.405  1.00 13.73           C  
+ATOM   1325  C   TYR B  35       9.249   5.241  11.959  1.00 14.87           C  
+ATOM   1326  O   TYR B  35       9.056   4.156  12.514  1.00 16.30           O  
+ATOM   1327  CB  TYR B  35       9.162   3.628   9.962  1.00 14.97           C  
+ATOM   1328  CG  TYR B  35       9.590   3.397   8.554  1.00 16.57           C  
+ATOM   1329  CD1 TYR B  35       9.059   4.138   7.400  1.00 17.11           C  
+ATOM   1330  CD2 TYR B  35      10.495   2.446   8.096  1.00 21.02           C  
+ATOM   1331  CE1 TYR B  35       9.473   3.862   6.085  1.00 16.53           C  
+ATOM   1332  CE2 TYR B  35      10.987   2.455   6.905  1.00 21.07           C  
+ATOM   1333  CZ  TYR B  35      10.434   2.948   5.860  1.00 16.91           C  
+ATOM   1334  OH  TYR B  35      11.073   2.851   4.537  1.00 21.07           O  
+ATOM   1335  N   PRO B  36       9.337   6.384  12.381  1.00 18.32           N  
+ATOM   1336  CA  PRO B  36       9.299   6.665  13.797  1.00 15.72           C  
+ATOM   1337  C   PRO B  36       8.010   6.232  14.403  1.00 27.07           C  
+ATOM   1338  O   PRO B  36       8.028   5.977  15.694  1.00 15.67           O  
+ATOM   1339  CB  PRO B  36       9.448   8.143  14.056  1.00 16.26           C  
+ATOM   1340  CG  PRO B  36       9.504   8.813  12.839  1.00 21.27           C  
+ATOM   1341  CD  PRO B  36       9.498   7.681  11.841  1.00 25.93           C  
+ATOM   1342  N   TRP B  37       6.917   5.884  13.840  1.00 14.10           N  
+ATOM   1343  CA  TRP B  37       5.821   5.395  14.601  1.00 12.74           C  
+ATOM   1344  C   TRP B  37       5.965   3.976  15.036  1.00 15.06           C  
+ATOM   1345  O   TRP B  37       5.268   3.465  15.926  1.00 15.27           O  
+ATOM   1346  CB  TRP B  37       4.670   5.475  13.490  1.00 19.41           C  
+ATOM   1347  CG  TRP B  37       4.766   4.831  12.253  1.00 14.79           C  
+ATOM   1348  CD1 TRP B  37       4.298   3.513  11.774  1.00 18.82           C  
+ATOM   1349  CD2 TRP B  37       5.265   5.442  10.984  1.00 18.23           C  
+ATOM   1350  NE1 TRP B  37       4.669   3.435  10.535  1.00 23.72           N  
+ATOM   1351  CE2 TRP B  37       5.184   4.400   9.923  1.00 22.13           C  
+ATOM   1352  CE3 TRP B  37       5.947   6.691  10.672  1.00 21.52           C  
+ATOM   1353  CZ2 TRP B  37       5.584   4.556   8.589  1.00 18.19           C  
+ATOM   1354  CZ3 TRP B  37       6.183   6.773   9.398  1.00 31.71           C  
+ATOM   1355  CH2 TRP B  37       6.069   5.844   8.520  1.00 14.12           C  
+ATOM   1356  N   THR B  38       7.039   3.221  14.646  1.00 14.17           N  
+ATOM   1357  CA  THR B  38       7.466   1.912  14.979  1.00 13.46           C  
+ATOM   1358  C   THR B  38       7.760   1.960  16.519  1.00 16.65           C  
+ATOM   1359  O   THR B  38       8.073   0.918  17.118  1.00 18.86           O  
+ATOM   1360  CB  THR B  38       8.456   1.107  14.212  1.00 12.74           C  
+ATOM   1361  OG1 THR B  38       9.507   1.962  14.105  1.00 14.09           O  
+ATOM   1362  CG2 THR B  38       7.863   1.128  12.798  1.00 15.42           C  
+ATOM   1363  N   GLN B  39       8.203   3.108  16.922  1.00 19.91           N  
+ATOM   1364  CA  GLN B  39       8.656   3.567  18.379  1.00 23.22           C  
+ATOM   1365  C   GLN B  39       7.604   3.201  19.358  1.00 19.19           C  
+ATOM   1366  O   GLN B  39       7.968   2.987  20.495  1.00 19.29           O  
+ATOM   1367  CB  GLN B  39       9.277   4.878  18.529  1.00 24.35           C  
+ATOM   1368  CG  GLN B  39      10.405   5.137  17.759  1.00 25.27           C  
+ATOM   1369  CD  GLN B  39      10.983   6.633  17.918  1.00 24.35           C  
+ATOM   1370  OE1 GLN B  39      10.480   7.189  18.922  1.00 26.75           O  
+ATOM   1371  NE2 GLN B  39      11.852   7.006  16.956  1.00 30.18           N  
+ATOM   1372  N   ARG B  40       6.347   3.079  18.900  1.00 20.02           N  
+ATOM   1373  CA  ARG B  40       5.184   2.850  19.816  1.00 21.80           C  
+ATOM   1374  C   ARG B  40       5.511   1.455  20.630  1.00 29.36           C  
+ATOM   1375  O   ARG B  40       4.888   1.619  21.749  1.00 24.42           O  
+ATOM   1376  CB  ARG B  40       3.944   2.700  18.938  1.00 16.52           C  
+ATOM   1377  CG  ARG B  40       3.694   1.420  18.404  1.00 20.34           C  
+ATOM   1378  CD  ARG B  40       2.451   1.519  17.302  1.00 25.31           C  
+ATOM   1379  NE  ARG B  40       1.370   1.856  17.810  1.00 29.70           N  
+ATOM   1380  CZ  ARG B  40       0.400   1.022  18.648  1.00 34.46           C  
+ATOM   1381  NH1 ARG B  40       0.678  -0.097  18.556  1.00 31.34           N  
+ATOM   1382  NH2 ARG B  40      -0.783   2.010  18.877  1.00 39.12           N  
+ATOM   1383  N   PHE B  41       6.149   0.541  20.453  1.00 19.21           N  
+ATOM   1384  CA  PHE B  41       6.133  -0.730  21.151  1.00 16.53           C  
+ATOM   1385  C   PHE B  41       7.442  -0.621  22.343  1.00 21.34           C  
+ATOM   1386  O   PHE B  41       7.412  -1.538  22.897  1.00 23.45           O  
+ATOM   1387  CB  PHE B  41       6.675  -1.804  20.080  1.00 10.39           C  
+ATOM   1388  CG  PHE B  41       5.553  -1.984  19.152  1.00 13.84           C  
+ATOM   1389  CD1 PHE B  41       5.763  -1.448  17.828  1.00 17.38           C  
+ATOM   1390  CD2 PHE B  41       4.239  -2.655  19.578  1.00 25.55           C  
+ATOM   1391  CE1 PHE B  41       4.713  -1.720  16.922  1.00 15.72           C  
+ATOM   1392  CE2 PHE B  41       3.272  -2.680  18.459  1.00 21.40           C  
+ATOM   1393  CZ  PHE B  41       3.586  -2.146  17.207  1.00 13.46           C  
+ATOM   1394  N   PHE B  42       8.072   0.397  22.159  1.00 18.41           N  
+ATOM   1395  CA  PHE B  42       9.433   0.476  22.639  1.00 17.88           C  
+ATOM   1396  C   PHE B  42       9.683   1.552  23.631  1.00 26.28           C  
+ATOM   1397  O   PHE B  42      10.712   1.963  24.025  1.00 30.16           O  
+ATOM   1398  CB  PHE B  42      10.561   0.553  21.602  1.00 16.57           C  
+ATOM   1399  CG  PHE B  42      10.524  -0.621  20.906  1.00 18.87           C  
+ATOM   1400  CD1 PHE B  42      10.208  -0.431  19.261  1.00 17.08           C  
+ATOM   1401  CD2 PHE B  42      10.804  -1.937  21.065  1.00 17.75           C  
+ATOM   1402  CE1 PHE B  42      10.137  -1.716  18.672  1.00 12.34           C  
+ATOM   1403  CE2 PHE B  42      10.625  -2.998  20.314  1.00 16.32           C  
+ATOM   1404  CZ  PHE B  42      10.370  -2.870  18.826  1.00 14.29           C  
+ATOM   1405  N   GLU B  43       8.703   2.022  24.176  1.00 32.94           N  
+ATOM   1406  CA  GLU B  43       9.021   3.274  25.060  1.00 42.17           C  
+ATOM   1407  C   GLU B  43       9.315   2.924  26.617  1.00 21.09           C  
+ATOM   1408  O   GLU B  43      10.204   3.362  27.291  1.00 37.55           O  
+ATOM   1409  CB  GLU B  43       7.798   3.586  25.059  1.00 73.91           C  
+ATOM   1410  CG  GLU B  43       6.528   3.291  25.915  1.00 61.81           C  
+ATOM   1411  CD  GLU B  43       4.777   4.930  25.558  1.00 78.77           C  
+ATOM   1412  OE1 GLU B  43       5.276   5.543  25.252  1.00 63.33           O  
+ATOM   1413  OE2 GLU B  43       4.274   3.783  26.403  1.00 59.41           O  
+ATOM   1414  N   SER B  44       9.424   1.477  26.805  1.00 22.68           N  
+ATOM   1415  CA  SER B  44      10.261   0.951  28.039  1.00 28.45           C  
+ATOM   1416  C   SER B  44      11.527   1.680  27.935  1.00 36.10           C  
+ATOM   1417  O   SER B  44      12.578   0.776  28.511  1.00 25.24           O  
+ATOM   1418  CB  SER B  44       9.957  -0.409  28.119  1.00 27.61           C  
+ATOM   1419  OG  SER B  44      10.204  -1.503  27.766  1.00 37.26           O  
+ATOM   1420  N   PHE B  45      12.292   1.349  26.626  1.00 28.36           N  
+ATOM   1421  CA  PHE B  45      13.648   1.329  26.186  1.00 25.47           C  
+ATOM   1422  C   PHE B  45      14.197   2.590  26.508  1.00 26.28           C  
+ATOM   1423  O   PHE B  45      15.451   2.670  26.190  1.00 31.39           O  
+ATOM   1424  CB  PHE B  45      13.618   0.947  24.623  1.00 22.10           C  
+ATOM   1425  CG  PHE B  45      13.541  -0.652  24.249  1.00 18.85           C  
+ATOM   1426  CD1 PHE B  45      13.939  -0.880  22.983  1.00 29.27           C  
+ATOM   1427  CD2 PHE B  45      12.982  -1.450  24.626  1.00 31.57           C  
+ATOM   1428  CE1 PHE B  45      13.682  -2.441  22.618  1.00 29.02           C  
+ATOM   1429  CE2 PHE B  45      12.642  -2.810  24.625  1.00 30.34           C  
+ATOM   1430  CZ  PHE B  45      13.202  -2.999  23.312  1.00 36.33           C  
+ATOM   1431  N   GLY B  46      13.772   3.730  26.937  1.00 39.28           N  
+ATOM   1432  CA  GLY B  46      14.529   4.785  27.301  1.00 46.90           C  
+ATOM   1433  C   GLY B  46      14.720   5.977  26.137  1.00 45.06           C  
+ATOM   1434  O   GLY B  46      13.492   6.152  25.410  1.00 36.42           O  
+ATOM   1435  N   ASP B  47      15.717   6.365  26.037  1.00 38.00           N  
+ATOM   1436  CA  ASP B  47      15.729   7.801  25.184  1.00 38.15           C  
+ATOM   1437  C   ASP B  47      16.096   7.362  23.534  1.00 25.86           C  
+ATOM   1438  O   ASP B  47      16.860   6.380  23.281  1.00 25.46           O  
+ATOM   1439  CB  ASP B  47      17.237   8.136  25.516  1.00 44.07           C  
+ATOM   1440  CG  ASP B  47      17.345   9.494  25.209  1.00 52.06           C  
+ATOM   1441  OD1 ASP B  47      18.506  10.069  24.917  1.00 44.54           O  
+ATOM   1442  OD2 ASP B  47      16.192  10.248  24.076  1.00 35.33           O  
+ATOM   1443  N   LEU B  48      14.758   7.696  22.981  1.00 25.27           N  
+ATOM   1444  CA  LEU B  48      14.475   7.473  21.435  1.00 28.75           C  
+ATOM   1445  C   LEU B  48      14.468   8.903  20.740  1.00 27.19           C  
+ATOM   1446  O   LEU B  48      13.953   8.921  19.724  1.00 27.20           O  
+ATOM   1447  CB  LEU B  48      13.484   6.505  21.317  1.00 23.96           C  
+ATOM   1448  CG  LEU B  48      13.754   5.148  21.718  1.00 24.35           C  
+ATOM   1449  CD1 LEU B  48      12.414   4.237  21.541  1.00 34.74           C  
+ATOM   1450  CD2 LEU B  48      14.775   4.377  21.408  1.00 34.58           C  
+ATOM   1451  N   SER B  49      15.103   9.812  21.342  1.00 41.94           N  
+ATOM   1452  CA  SER B  49      14.421  11.168  20.634  1.00 46.28           C  
+ATOM   1453  C   SER B  49      15.582  11.613  20.219  1.00 38.86           C  
+ATOM   1454  O   SER B  49      14.817  12.605  18.942  1.00 41.94           O  
+ATOM   1455  CB  SER B  49      14.717  12.244  22.089  1.00 37.98           C  
+ATOM   1456  OG  SER B  49      16.403  12.088  22.302  1.00 37.71           O  
+ATOM   1457  N   THR B  50      16.507  11.264  19.343  1.00 28.29           N  
+ATOM   1458  CA  THR B  50      17.236  11.360  18.289  1.00 30.77           C  
+ATOM   1459  C   THR B  50      17.885  10.175  17.455  1.00 28.12           C  
+ATOM   1460  O   THR B  50      17.899   9.107  18.221  1.00 25.38           O  
+ATOM   1461  CB  THR B  50      18.076  12.160  18.824  1.00 33.39           C  
+ATOM   1462  OG1 THR B  50      19.415  11.795  19.160  1.00 37.96           O  
+ATOM   1463  CG2 THR B  50      18.083  13.812  19.397  1.00 29.64           C  
+ATOM   1464  N   PRO B  51      18.477  10.443  16.283  1.00 28.96           N  
+ATOM   1465  CA  PRO B  51      18.840   9.268  15.580  1.00 22.25           C  
+ATOM   1466  C   PRO B  51      20.003   8.659  16.259  1.00 19.80           C  
+ATOM   1467  O   PRO B  51      20.229   7.322  16.651  1.00 21.55           O  
+ATOM   1468  CB  PRO B  51      19.279   9.752  14.257  1.00 27.29           C  
+ATOM   1469  CG  PRO B  51      18.236  10.849  14.019  1.00 23.54           C  
+ATOM   1470  CD  PRO B  51      18.120  11.592  15.204  1.00 26.04           C  
+ATOM   1471  N   ASP B  52      20.955   9.490  16.887  1.00 21.99           N  
+ATOM   1472  CA  ASP B  52      22.107   9.063  17.596  1.00 20.50           C  
+ATOM   1473  C   ASP B  52      21.711   8.282  18.816  1.00 16.32           C  
+ATOM   1474  O   ASP B  52      22.264   7.261  19.307  1.00 25.55           O  
+ATOM   1475  CB  ASP B  52      22.971  10.246  17.966  1.00 32.17           C  
+ATOM   1476  CG  ASP B  52      24.234  10.367  16.728  1.00 47.24           C  
+ATOM   1477  OD1 ASP B  52      24.140   9.731  15.886  1.00 41.78           O  
+ATOM   1478  OD2 ASP B  52      24.041  11.689  16.359  1.00 62.08           O  
+ATOM   1479  N   ALA B  53      20.654   8.843  19.515  1.00 23.18           N  
+ATOM   1480  CA  ALA B  53      20.143   8.181  20.776  1.00 24.60           C  
+ATOM   1481  C   ALA B  53      19.728   6.737  20.669  1.00 20.91           C  
+ATOM   1482  O   ALA B  53      19.736   5.693  21.187  1.00 20.19           O  
+ATOM   1483  CB  ALA B  53      19.176   8.937  21.371  1.00 23.45           C  
+ATOM   1484  N   VAL B  54      18.925   6.610  19.428  1.00 19.02           N  
+ATOM   1485  CA  VAL B  54      18.396   5.367  18.970  1.00 17.30           C  
+ATOM   1486  C   VAL B  54      19.363   4.542  18.660  1.00 15.03           C  
+ATOM   1487  O   VAL B  54      19.429   3.266  19.120  1.00 19.06           O  
+ATOM   1488  CB  VAL B  54      17.268   5.613  17.733  1.00 27.63           C  
+ATOM   1489  CG1 VAL B  54      17.019   4.214  17.213  1.00 22.46           C  
+ATOM   1490  CG2 VAL B  54      16.224   6.564  17.992  1.00 27.27           C  
+ATOM   1491  N   MET B  55      20.370   4.888  17.834  1.00 21.73           N  
+ATOM   1492  CA  MET B  55      21.262   3.920  17.351  1.00 17.86           C  
+ATOM   1493  C   MET B  55      22.215   3.437  18.454  1.00 32.16           C  
+ATOM   1494  O   MET B  55      22.701   2.355  18.174  1.00 26.15           O  
+ATOM   1495  CB  MET B  55      22.167   4.509  16.152  1.00 19.12           C  
+ATOM   1496  CG  MET B  55      21.367   4.924  14.914  1.00 18.10           C  
+ATOM   1497  SD  MET B  55      20.328   3.573  14.221  1.00 21.28           S  
+ATOM   1498  CE  MET B  55      21.373   2.471  13.659  1.00 20.66           C  
+ATOM   1499  N   GLY B  56      22.406   4.339  19.361  1.00 24.42           N  
+ATOM   1500  CA  GLY B  56      23.329   3.841  20.456  1.00 36.79           C  
+ATOM   1501  C   GLY B  56      22.514   3.565  21.746  1.00 33.28           C  
+ATOM   1502  O   GLY B  56      23.093   2.903  22.699  1.00 24.94           O  
+ATOM   1503  N   ASN B  57      21.348   2.997  21.778  1.00 22.01           N  
+ATOM   1504  CA  ASN B  57      20.559   2.685  22.827  1.00 15.71           C  
+ATOM   1505  C   ASN B  57      20.755   1.267  22.976  1.00 17.88           C  
+ATOM   1506  O   ASN B  57      20.502   0.300  22.098  1.00 18.04           O  
+ATOM   1507  CB  ASN B  57      19.144   2.920  22.701  1.00 21.80           C  
+ATOM   1508  CG  ASN B  57      18.247   2.358  23.776  1.00 18.78           C  
+ATOM   1509  OD1 ASN B  57      18.261   1.376  24.212  1.00 23.41           O  
+ATOM   1510  ND2 ASN B  57      17.583   3.338  24.270  1.00 26.53           N  
+ATOM   1511  N   PRO B  58      21.174   0.662  24.086  1.00 24.81           N  
+ATOM   1512  CA  PRO B  58      21.379  -0.699  24.384  1.00 24.38           C  
+ATOM   1513  C   PRO B  58      20.320  -1.707  24.238  1.00 16.45           C  
+ATOM   1514  O   PRO B  58      20.621  -2.865  23.942  1.00 22.03           O  
+ATOM   1515  CB  PRO B  58      22.199  -0.585  25.810  1.00 41.00           C  
+ATOM   1516  CG  PRO B  58      21.985   0.546  26.007  1.00 36.46           C  
+ATOM   1517  CD  PRO B  58      21.572   1.751  25.438  1.00 41.75           C  
+ATOM   1518  N   LYS B  59      19.129  -1.092  24.601  1.00 16.03           N  
+ATOM   1519  CA  LYS B  59      17.877  -2.002  24.599  1.00 22.04           C  
+ATOM   1520  C   LYS B  59      17.389  -2.185  23.113  1.00 13.98           C  
+ATOM   1521  O   LYS B  59      17.132  -3.370  22.712  1.00 15.67           O  
+ATOM   1522  CB  LYS B  59      16.893  -1.439  25.346  1.00 22.22           C  
+ATOM   1523  CG  LYS B  59      17.003  -1.840  26.817  1.00 45.70           C  
+ATOM   1524  CD  LYS B  59      17.133  -0.988  27.329  1.00 44.05           C  
+ATOM   1525  CE  LYS B  59      17.311  -2.126  29.392  1.00 71.22           C  
+ATOM   1526  NZ  LYS B  59      16.304  -0.516  29.672  1.00 61.54           N  
+ATOM   1527  N   VAL B  60      17.762  -1.228  22.435  1.00 17.28           N  
+ATOM   1528  CA  VAL B  60      17.489  -1.267  20.987  1.00 18.21           C  
+ATOM   1529  C   VAL B  60      18.198  -2.383  20.467  1.00 17.60           C  
+ATOM   1530  O   VAL B  60      18.065  -3.331  19.597  1.00 19.11           O  
+ATOM   1531  CB  VAL B  60      17.415   0.000  20.196  1.00 19.15           C  
+ATOM   1532  CG1 VAL B  60      17.700  -0.242  18.743  1.00 20.44           C  
+ATOM   1533  CG2 VAL B  60      16.452   0.957  20.699  1.00 20.64           C  
+ATOM   1534  N   LYS B  61      19.612  -2.162  20.575  1.00 16.19           N  
+ATOM   1535  CA  LYS B  61      20.529  -3.146  20.062  1.00 15.00           C  
+ATOM   1536  C   LYS B  61      20.399  -4.610  20.622  1.00 17.90           C  
+ATOM   1537  O   LYS B  61      20.213  -5.649  19.890  1.00 20.52           O  
+ATOM   1538  CB  LYS B  61      21.934  -2.794  20.686  1.00 23.50           C  
+ATOM   1539  CG  LYS B  61      22.389  -1.790  20.123  1.00 34.21           C  
+ATOM   1540  CD  LYS B  61      23.914  -1.121  21.095  1.00 48.05           C  
+ATOM   1541  CE  LYS B  61      24.659  -0.514  19.697  1.00 65.12           C  
+ATOM   1542  NZ  LYS B  61      25.928   0.153  20.694  1.00 66.26           N  
+ATOM   1543  N   ALA B  62      19.935  -4.789  21.817  1.00 18.99           N  
+ATOM   1544  CA  ALA B  62      19.613  -6.179  22.281  1.00 20.11           C  
+ATOM   1545  C   ALA B  62      18.327  -6.740  21.532  1.00 23.44           C  
+ATOM   1546  O   ALA B  62      18.260  -7.852  21.400  1.00 21.26           O  
+ATOM   1547  CB  ALA B  62      19.287  -6.023  23.792  1.00 28.90           C  
+ATOM   1548  N   HIS B  63      17.361  -5.800  21.608  1.00 20.40           N  
+ATOM   1549  CA  HIS B  63      16.190  -6.291  20.805  1.00 18.39           C  
+ATOM   1550  C   HIS B  63      16.516  -6.639  19.256  1.00 14.88           C  
+ATOM   1551  O   HIS B  63      16.111  -7.828  18.863  1.00 18.29           O  
+ATOM   1552  CB  HIS B  63      15.116  -5.410  20.859  1.00 22.46           C  
+ATOM   1553  CG  HIS B  63      13.751  -5.776  20.554  1.00 25.19           C  
+ATOM   1554  ND1 HIS B  63      13.281  -7.248  21.117  1.00 24.68           N  
+ATOM   1555  CD2 HIS B  63      13.005  -5.716  19.310  1.00 20.46           C  
+ATOM   1556  CE1 HIS B  63      11.969  -7.447  20.274  1.00 21.48           C  
+ATOM   1557  NE2 HIS B  63      11.891  -6.627  19.400  1.00 20.00           N  
+ATOM   1558  N   GLY B  64      17.369  -5.912  18.807  1.00 15.81           N  
+ATOM   1559  CA  GLY B  64      17.753  -6.266  17.372  1.00 16.57           C  
+ATOM   1560  C   GLY B  64      18.356  -7.523  17.041  1.00 14.05           C  
+ATOM   1561  O   GLY B  64      18.321  -8.353  16.306  1.00 17.38           O  
+ATOM   1562  N   LYS B  65      19.222  -7.845  18.080  1.00 15.77           N  
+ATOM   1563  CA  LYS B  65      19.749  -9.096  18.187  1.00 17.79           C  
+ATOM   1564  C   LYS B  65      18.945 -10.321  18.319  1.00 18.32           C  
+ATOM   1565  O   LYS B  65      19.205 -11.332  17.796  1.00 19.33           O  
+ATOM   1566  CB  LYS B  65      21.117  -9.195  19.352  1.00 34.65           C  
+ATOM   1567  CG  LYS B  65      20.823  -9.337  19.828  1.00 64.04           C  
+ATOM   1568  CD  LYS B  65      22.866  -9.404  21.254  1.00 58.77           C  
+ATOM   1569  CE  LYS B  65      21.591 -11.376  21.213  1.00 64.47           C  
+ATOM   1570  NZ  LYS B  65      22.762 -11.190  23.512  1.00 67.19           N  
+ATOM   1571  N   LYS B  66      17.979 -10.126  19.094  1.00 17.45           N  
+ATOM   1572  CA  LYS B  66      17.297 -11.071  19.293  1.00 20.10           C  
+ATOM   1573  C   LYS B  66      16.171 -11.403  18.033  1.00 21.06           C  
+ATOM   1574  O   LYS B  66      15.915 -12.596  17.725  1.00 17.84           O  
+ATOM   1575  CB  LYS B  66      16.183 -10.827  20.504  1.00 22.19           C  
+ATOM   1576  CG  LYS B  66      15.115 -11.668  20.860  1.00 40.97           C  
+ATOM   1577  CD  LYS B  66      14.348 -11.289  22.165  1.00 49.22           C  
+ATOM   1578  CE  LYS B  66      14.883 -13.426  23.031  1.00 72.58           C  
+ATOM   1579  NZ  LYS B  66      13.505 -13.329  24.195  1.00 70.66           N  
+ATOM   1580  N   VAL B  67      15.722 -10.213  17.591  1.00 16.93           N  
+ATOM   1581  CA  VAL B  67      14.967 -10.430  16.204  1.00 19.22           C  
+ATOM   1582  C   VAL B  67      15.793 -10.926  15.110  1.00 11.08           C  
+ATOM   1583  O   VAL B  67      15.419 -12.032  14.481  1.00 14.57           O  
+ATOM   1584  CB  VAL B  67      14.239  -9.056  15.913  1.00 21.56           C  
+ATOM   1585  CG1 VAL B  67      13.929  -8.835  14.427  1.00 18.58           C  
+ATOM   1586  CG2 VAL B  67      13.400  -8.550  17.010  1.00 21.34           C  
+ATOM   1587  N   LEU B  68      16.954 -10.461  14.916  1.00 11.62           N  
+ATOM   1588  CA  LEU B  68      17.765 -11.045  13.835  1.00 15.23           C  
+ATOM   1589  C   LEU B  68      18.198 -12.546  14.030  1.00 13.22           C  
+ATOM   1590  O   LEU B  68      18.576 -13.320  13.014  1.00 14.49           O  
+ATOM   1591  CB  LEU B  68      18.788 -10.157  13.424  1.00 22.80           C  
+ATOM   1592  CG  LEU B  68      18.947  -9.620  11.990  1.00 26.57           C  
+ATOM   1593  CD1 LEU B  68      20.192 -10.323  11.868  1.00 62.38           C  
+ATOM   1594  CD2 LEU B  68      17.922  -9.301  11.306  1.00 35.30           C  
+ATOM   1595  N   GLY B  69      18.512 -12.954  15.230  1.00 14.77           N  
+ATOM   1596  CA  GLY B  69      18.843 -14.169  15.499  1.00 20.29           C  
+ATOM   1597  C   GLY B  69      17.847 -15.440  15.178  1.00 17.59           C  
+ATOM   1598  O   GLY B  69      17.982 -16.324  14.534  1.00 19.02           O  
+ATOM   1599  N   ALA B  70      16.471 -14.870  15.541  1.00 19.76           N  
+ATOM   1600  CA  ALA B  70      15.432 -15.582  15.055  1.00 20.35           C  
+ATOM   1601  C   ALA B  70      15.296 -15.691  13.506  1.00 16.36           C  
+ATOM   1602  O   ALA B  70      14.996 -16.706  12.805  1.00 18.12           O  
+ATOM   1603  CB  ALA B  70      14.137 -15.174  15.556  1.00 18.92           C  
+ATOM   1604  N   PHE B  71      15.441 -14.520  12.868  1.00 14.47           N  
+ATOM   1605  CA  PHE B  71      15.473 -14.523  11.393  1.00 18.37           C  
+ATOM   1606  C   PHE B  71      16.681 -15.484  10.885  1.00 23.80           C  
+ATOM   1607  O   PHE B  71      16.324 -16.238  10.064  1.00 20.23           O  
+ATOM   1608  CB  PHE B  71      15.760 -13.050  11.104  1.00 13.73           C  
+ATOM   1609  CG  PHE B  71      15.796 -12.885   9.606  1.00 18.08           C  
+ATOM   1610  CD1 PHE B  71      14.729 -12.558   8.930  1.00 25.10           C  
+ATOM   1611  CD2 PHE B  71      17.072 -12.967   8.830  1.00 17.17           C  
+ATOM   1612  CE1 PHE B  71      14.623 -12.282   7.460  1.00 19.10           C  
+ATOM   1613  CE2 PHE B  71      16.901 -12.741   7.550  1.00 22.20           C  
+ATOM   1614  CZ  PHE B  71      15.701 -12.364   6.812  1.00 12.94           C  
+ATOM   1615  N   SER B  72      17.595 -15.502  11.393  1.00 20.10           N  
+ATOM   1616  CA  SER B  72      18.969 -16.288  11.125  1.00 20.52           C  
+ATOM   1617  C   SER B  72      18.446 -17.702  11.027  1.00 24.58           C  
+ATOM   1618  O   SER B  72      18.709 -18.593  10.064  1.00 22.06           O  
+ATOM   1619  CB  SER B  72      20.232 -15.732  11.864  1.00 15.28           C  
+ATOM   1620  OG  SER B  72      21.400 -16.267  11.544  1.00 25.10           O  
+ATOM   1621  N   ASP B  73      17.933 -17.999  12.102  1.00 27.59           N  
+ATOM   1622  CA  ASP B  73      17.456 -19.508  12.282  1.00 37.45           C  
+ATOM   1623  C   ASP B  73      16.631 -19.746  11.447  1.00 25.08           C  
+ATOM   1624  O   ASP B  73      16.306 -20.962  10.848  1.00 31.64           O  
+ATOM   1625  CB  ASP B  73      17.022 -19.613  13.914  1.00 36.32           C  
+ATOM   1626  CG  ASP B  73      18.407 -19.595  14.926  1.00 45.09           C  
+ATOM   1627  OD1 ASP B  73      19.800 -19.407  14.506  1.00 37.33           O  
+ATOM   1628  OD2 ASP B  73      18.096 -19.496  15.880  1.00 52.94           O  
+ATOM   1629  N   GLY B  74      15.535 -19.019  10.954  1.00 21.04           N  
+ATOM   1630  CA  GLY B  74      14.735 -19.149   9.973  1.00 15.14           C  
+ATOM   1631  C   GLY B  74      14.988 -19.490   8.722  1.00 22.81           C  
+ATOM   1632  O   GLY B  74      14.637 -20.071   7.621  1.00 25.94           O  
+ATOM   1633  N   LEU B  75      16.509 -18.919   8.215  1.00 20.94           N  
+ATOM   1634  CA  LEU B  75      17.037 -19.090   6.965  1.00 15.84           C  
+ATOM   1635  C   LEU B  75      17.465 -20.570   6.842  1.00 26.11           C  
+ATOM   1636  O   LEU B  75      17.646 -20.979   5.741  1.00 28.14           O  
+ATOM   1637  CB  LEU B  75      18.377 -18.389   6.691  1.00 21.09           C  
+ATOM   1638  CG  LEU B  75      18.160 -17.146   6.885  1.00 27.76           C  
+ATOM   1639  CD1 LEU B  75      19.415 -16.065   6.621  1.00 33.03           C  
+ATOM   1640  CD2 LEU B  75      17.192 -16.405   5.891  1.00 30.01           C  
+ATOM   1641  N   ALA B  76      17.528 -21.312   7.923  1.00 21.21           N  
+ATOM   1642  CA  ALA B  76      17.717 -22.609   7.710  1.00 22.79           C  
+ATOM   1643  C   ALA B  76      16.647 -23.681   7.464  1.00 40.88           C  
+ATOM   1644  O   ALA B  76      16.656 -24.527   7.123  1.00 38.44           O  
+ATOM   1645  CB  ALA B  76      18.164 -23.328   9.061  1.00 29.05           C  
+ATOM   1646  N   HIS B  77      15.219 -22.886   7.385  1.00 23.87           N  
+ATOM   1647  CA  HIS B  77      13.929 -23.700   7.284  1.00 21.57           C  
+ATOM   1648  C   HIS B  77      13.284 -22.870   6.150  1.00 18.37           C  
+ATOM   1649  O   HIS B  77      12.059 -22.798   6.220  1.00 23.13           O  
+ATOM   1650  CB  HIS B  77      13.250 -23.395   8.460  1.00 29.02           C  
+ATOM   1651  CG  HIS B  77      14.079 -24.146   9.683  1.00 36.16           C  
+ATOM   1652  ND1 HIS B  77      14.936 -23.842  10.757  1.00 45.10           N  
+ATOM   1653  CD2 HIS B  77      14.095 -25.953   9.360  1.00 41.12           C  
+ATOM   1654  CE1 HIS B  77      15.178 -24.891  11.130  1.00 37.52           C  
+ATOM   1655  NE2 HIS B  77      14.852 -25.983  10.561  1.00 42.04           N  
+ATOM   1656  N   LEU B  78      13.874 -22.553   5.099  1.00 22.31           N  
+ATOM   1657  CA  LEU B  78      13.302 -21.614   4.148  1.00 20.28           C  
+ATOM   1658  C   LEU B  78      12.283 -22.522   3.216  1.00 31.20           C  
+ATOM   1659  O   LEU B  78      11.288 -21.899   3.087  1.00 34.80           O  
+ATOM   1660  CB  LEU B  78      14.257 -21.383   2.881  1.00 19.92           C  
+ATOM   1661  CG  LEU B  78      14.986 -19.978   3.420  1.00 39.49           C  
+ATOM   1662  CD1 LEU B  78      16.407 -19.926   2.680  1.00 34.16           C  
+ATOM   1663  CD2 LEU B  78      14.406 -18.731   3.892  1.00 31.09           C  
+ATOM   1664  N   ASP B  79      12.097 -23.916   3.393  1.00 31.59           N  
+ATOM   1665  CA  ASP B  79      11.104 -24.882   2.602  1.00 37.85           C  
+ATOM   1666  C   ASP B  79       9.843 -24.653   3.569  1.00 38.72           C  
+ATOM   1667  O   ASP B  79       9.096 -25.342   3.631  1.00 37.62           O  
+ATOM   1668  CB  ASP B  79      11.737 -26.234   3.104  1.00 48.10           C  
+ATOM   1669  CG  ASP B  79      12.662 -26.319   2.384  1.00 61.60           C  
+ATOM   1670  OD1 ASP B  79      13.286 -27.317   2.464  1.00 57.05           O  
+ATOM   1671  OD2 ASP B  79      12.655 -25.818   0.790  1.00 50.26           O  
+ATOM   1672  N   ASN B  80      10.028 -24.212   4.945  1.00 35.73           N  
+ATOM   1673  CA  ASN B  80       8.836 -24.555   6.146  1.00 42.30           C  
+ATOM   1674  C   ASN B  80       9.062 -22.961   6.944  1.00 30.43           C  
+ATOM   1675  O   ASN B  80       8.998 -23.185   7.997  1.00 27.17           O  
+ATOM   1676  CB  ASN B  80       9.098 -25.723   6.800  1.00 45.64           C  
+ATOM   1677  CG  ASN B  80       7.793 -26.259   7.837  1.00 49.79           C  
+ATOM   1678  OD1 ASN B  80       6.751 -25.228   7.493  1.00 49.18           O  
+ATOM   1679  ND2 ASN B  80       8.556 -26.466   8.946  1.00 48.18           N  
+ATOM   1680  N   LEU B  81       8.851 -21.845   6.271  1.00 31.23           N  
+ATOM   1681  CA  LEU B  81       8.683 -20.637   7.429  1.00 24.59           C  
+ATOM   1682  C   LEU B  81       7.679 -20.724   8.281  1.00 25.32           C  
+ATOM   1683  O   LEU B  81       7.523 -20.208   9.309  1.00 23.54           O  
+ATOM   1684  CB  LEU B  81       8.987 -19.631   6.449  1.00 29.09           C  
+ATOM   1685  CG  LEU B  81      10.160 -19.226   5.665  1.00 21.46           C  
+ATOM   1686  CD1 LEU B  81      10.084 -18.185   4.643  1.00 28.62           C  
+ATOM   1687  CD2 LEU B  81      11.341 -18.875   6.546  1.00 30.82           C  
+ATOM   1688  N   LYS B  82       6.283 -21.136   7.490  1.00 26.15           N  
+ATOM   1689  CA  LYS B  82       5.156 -20.862   8.452  1.00 24.25           C  
+ATOM   1690  C   LYS B  82       5.202 -21.643   9.461  1.00 23.08           C  
+ATOM   1691  O   LYS B  82       4.869 -21.389  10.597  1.00 24.88           O  
+ATOM   1692  CB  LYS B  82       4.142 -21.433   7.392  1.00 40.41           C  
+ATOM   1693  CG  LYS B  82       3.479 -20.229   6.738  1.00 39.73           C  
+ATOM   1694  CD  LYS B  82       2.160 -20.747   5.755  1.00 66.91           C  
+ATOM   1695  CE  LYS B  82       1.685 -20.767   6.266  1.00 59.33           C  
+ATOM   1696  NZ  LYS B  82      -0.023 -22.087   5.346  1.00 80.12           N  
+ATOM   1697  N   GLY B  83       5.725 -22.942   9.358  1.00 26.18           N  
+ATOM   1698  CA  GLY B  83       5.798 -23.724  10.746  1.00 41.64           C  
+ATOM   1699  C   GLY B  83       6.819 -23.249  11.591  1.00 31.59           C  
+ATOM   1700  O   GLY B  83       6.621 -23.464  12.858  1.00 36.40           O  
+ATOM   1701  N   THR B  84       7.985 -22.864  11.019  1.00 26.72           N  
+ATOM   1702  CA  THR B  84       9.150 -22.242  11.744  1.00 25.47           C  
+ATOM   1703  C   THR B  84       8.609 -21.278  12.796  1.00 33.72           C  
+ATOM   1704  O   THR B  84       8.964 -20.907  13.790  1.00 27.43           O  
+ATOM   1705  CB  THR B  84      10.394 -21.742  11.042  1.00 25.58           C  
+ATOM   1706  OG1 THR B  84      10.806 -23.108  10.337  1.00 39.04           O  
+ATOM   1707  CG2 THR B  84      11.362 -21.482  11.789  1.00 30.76           C  
+ATOM   1708  N   PHE B  85       7.740 -20.301  12.125  1.00 23.61           N  
+ATOM   1709  CA  PHE B  85       7.236 -18.963  12.749  1.00 21.59           C  
+ATOM   1710  C   PHE B  85       5.980 -19.056  13.414  1.00 28.51           C  
+ATOM   1711  O   PHE B  85       5.496 -18.006  13.809  1.00 18.85           O  
+ATOM   1712  CB  PHE B  85       7.575 -17.733  11.855  1.00 18.34           C  
+ATOM   1713  CG  PHE B  85       8.914 -17.486  11.587  1.00 13.87           C  
+ATOM   1714  CD1 PHE B  85       9.583 -17.701  10.358  1.00 16.61           C  
+ATOM   1715  CD2 PHE B  85       9.616 -17.039  12.693  1.00 18.32           C  
+ATOM   1716  CE1 PHE B  85      11.009 -17.444  10.305  1.00 27.99           C  
+ATOM   1717  CE2 PHE B  85      11.013 -16.752  12.253  1.00 21.68           C  
+ATOM   1718  CZ  PHE B  85      11.837 -16.973  11.161  1.00 21.59           C  
+ATOM   1719  N   ALA B  86       5.328 -20.141  13.373  1.00 22.16           N  
+ATOM   1720  CA  ALA B  86       3.899 -20.242  13.948  1.00 23.14           C  
+ATOM   1721  C   ALA B  86       3.715 -19.788  15.246  1.00 20.99           C  
+ATOM   1722  O   ALA B  86       2.881 -18.975  15.595  1.00 20.07           O  
+ATOM   1723  CB  ALA B  86       3.272 -21.660  13.783  1.00 23.69           C  
+ATOM   1724  N   THR B  87       4.501 -20.280  16.157  1.00 14.82           N  
+ATOM   1725  CA  THR B  87       4.271 -19.764  17.443  1.00 18.61           C  
+ATOM   1726  C   THR B  87       4.737 -18.271  17.729  1.00 25.42           C  
+ATOM   1727  O   THR B  87       4.013 -17.569  18.383  1.00 23.63           O  
+ATOM   1728  CB  THR B  87       5.631 -20.439  18.664  1.00 36.27           C  
+ATOM   1729  OG1 THR B  87       5.010 -21.597  18.659  1.00 56.82           O  
+ATOM   1730  CG2 THR B  87       4.455 -20.311  20.305  1.00 60.80           C  
+ATOM   1731  N   LEU B  88       5.836 -17.770  16.978  1.00 19.44           N  
+ATOM   1732  CA  LEU B  88       5.984 -16.362  17.087  1.00 17.97           C  
+ATOM   1733  C   LEU B  88       4.882 -15.510  16.526  1.00 11.34           C  
+ATOM   1734  O   LEU B  88       4.682 -14.416  16.964  1.00 17.71           O  
+ATOM   1735  CB  LEU B  88       7.361 -16.058  16.476  1.00 20.20           C  
+ATOM   1736  CG  LEU B  88       8.654 -16.553  17.229  1.00 27.17           C  
+ATOM   1737  CD1 LEU B  88       9.614 -15.962  16.454  1.00 32.32           C  
+ATOM   1738  CD2 LEU B  88       8.631 -15.491  18.343  1.00 27.72           C  
+ATOM   1739  N   SER B  89       4.254 -16.087  15.451  1.00 12.58           N  
+ATOM   1740  CA  SER B  89       3.084 -15.313  14.877  1.00 15.21           C  
+ATOM   1741  C   SER B  89       1.999 -14.995  15.898  1.00 14.13           C  
+ATOM   1742  O   SER B  89       1.472 -13.894  16.189  1.00 14.29           O  
+ATOM   1743  CB  SER B  89       2.771 -16.248  13.670  1.00 18.34           C  
+ATOM   1744  OG  SER B  89       1.531 -15.441  13.107  1.00 17.85           O  
+ATOM   1745  N   GLU B  90       1.628 -16.201  16.484  1.00 14.25           N  
+ATOM   1746  CA  GLU B  90       0.931 -16.070  17.617  1.00 20.50           C  
+ATOM   1747  C   GLU B  90       0.876 -15.142  18.820  1.00 13.47           C  
+ATOM   1748  O   GLU B  90       0.179 -14.243  19.122  1.00 16.05           O  
+ATOM   1749  CB  GLU B  90       0.387 -17.706  18.270  1.00 21.76           C  
+ATOM   1750  CG  GLU B  90       0.049 -18.266  17.145  1.00 48.13           C  
+ATOM   1751  CD  GLU B  90      -0.726 -20.095  17.710  1.00 78.64           C  
+ATOM   1752  OE1 GLU B  90      -1.132 -19.837  18.495  1.00 55.55           O  
+ATOM   1753  OE2 GLU B  90       0.235 -20.950  17.492  1.00 74.37           O  
+ATOM   1754  N   LEU B  91       2.312 -15.215  19.185  1.00 13.36           N  
+ATOM   1755  CA  LEU B  91       2.718 -14.253  20.128  1.00 14.20           C  
+ATOM   1756  C   LEU B  91       2.527 -12.831  19.767  1.00  8.80           C  
+ATOM   1757  O   LEU B  91       2.160 -11.906  20.481  1.00 10.74           O  
+ATOM   1758  CB  LEU B  91       4.110 -14.807  20.432  1.00 12.00           C  
+ATOM   1759  CG  LEU B  91       4.669 -13.801  21.348  1.00 18.50           C  
+ATOM   1760  CD1 LEU B  91       4.127 -14.212  22.834  1.00 20.79           C  
+ATOM   1761  CD2 LEU B  91       5.943 -13.652  21.455  1.00 37.40           C  
+ATOM   1762  N   HIS B  92       3.059 -12.662  18.493  1.00 10.78           N  
+ATOM   1763  CA  HIS B  92       3.032 -11.268  18.253  1.00 11.85           C  
+ATOM   1764  C   HIS B  92       1.536 -10.600  17.895  1.00 11.06           C  
+ATOM   1765  O   HIS B  92       1.291  -9.431  18.158  1.00 13.45           O  
+ATOM   1766  CB  HIS B  92       3.754 -11.078  16.807  1.00  9.95           C  
+ATOM   1767  CG  HIS B  92       5.289 -10.900  17.051  1.00 15.50           C  
+ATOM   1768  ND1 HIS B  92       6.099 -12.172  17.134  1.00 15.27           N  
+ATOM   1769  CD2 HIS B  92       6.215  -9.905  16.994  1.00 23.76           C  
+ATOM   1770  CE1 HIS B  92       7.432 -11.572  17.375  1.00 16.99           C  
+ATOM   1771  NE2 HIS B  92       7.367 -10.337  17.129  1.00 14.76           N  
+ATOM   1772  N   CYS B  93       0.636 -11.512  17.534  1.00 14.83           N  
+ATOM   1773  CA  CYS B  93      -0.706 -11.057  17.499  1.00 12.23           C  
+ATOM   1774  C   CYS B  93      -1.360 -10.953  18.986  1.00 10.49           C  
+ATOM   1775  O   CYS B  93      -1.843  -9.987  19.222  1.00 18.01           O  
+ATOM   1776  CB  CYS B  93      -1.330 -12.054  16.605  1.00 15.43           C  
+ATOM   1777  SG  CYS B  93      -3.259 -11.741  16.494  1.00 18.37           S  
+ATOM   1778  N   ASP B  94      -1.338 -12.094  19.598  1.00 13.11           N  
+ATOM   1779  CA  ASP B  94      -2.308 -12.076  20.721  1.00 15.32           C  
+ATOM   1780  C   ASP B  94      -1.586 -11.449  21.803  1.00 25.71           C  
+ATOM   1781  O   ASP B  94      -2.319 -10.827  22.800  1.00 21.65           O  
+ATOM   1782  CB  ASP B  94      -2.522 -13.477  21.183  1.00 21.65           C  
+ATOM   1783  CG  ASP B  94      -3.443 -14.553  20.246  1.00 42.42           C  
+ATOM   1784  OD1 ASP B  94      -3.967 -13.792  19.626  1.00 30.02           O  
+ATOM   1785  OD2 ASP B  94      -3.094 -15.441  20.443  1.00 43.30           O  
+ATOM   1786  N   LYS B  95      -0.348 -11.361  22.144  1.00 18.55           N  
+ATOM   1787  CA  LYS B  95       0.080 -10.591  23.184  1.00 19.10           C  
+ATOM   1788  C   LYS B  95       0.803  -9.499  23.130  1.00 19.57           C  
+ATOM   1789  O   LYS B  95       0.736  -8.565  23.699  1.00 21.87           O  
+ATOM   1790  CB  LYS B  95       1.151 -11.737  23.890  1.00 25.95           C  
+ATOM   1791  CG  LYS B  95       0.477 -13.054  24.377  1.00 24.86           C  
+ATOM   1792  CD  LYS B  95      -0.659 -12.473  25.407  1.00 36.14           C  
+ATOM   1793  CE  LYS B  95      -1.063 -13.745  26.122  1.00 47.76           C  
+ATOM   1794  NZ  LYS B  95      -2.126 -13.501  26.952  1.00 55.91           N  
+ATOM   1795  N   LEU B  96       1.669  -9.358  21.897  1.00 12.40           N  
+ATOM   1796  CA  LEU B  96       2.264  -8.159  21.581  1.00 11.86           C  
+ATOM   1797  C   LEU B  96       1.626  -7.005  20.824  1.00 15.10           C  
+ATOM   1798  O   LEU B  96       2.002  -5.926  20.849  1.00 17.50           O  
+ATOM   1799  CB  LEU B  96       3.645  -8.491  21.134  1.00 14.08           C  
+ATOM   1800  CG  LEU B  96       4.528  -9.722  21.739  1.00 12.34           C  
+ATOM   1801  CD1 LEU B  96       5.778  -9.939  20.848  1.00 13.78           C  
+ATOM   1802  CD2 LEU B  96       4.863  -8.876  23.113  1.00 22.81           C  
+ATOM   1803  N   HIS B  97       0.616  -7.508  20.069  1.00 15.44           N  
+ATOM   1804  CA  HIS B  97      -0.223  -6.510  19.374  1.00 18.15           C  
+ATOM   1805  C   HIS B  97       0.581  -5.736  18.319  1.00 12.24           C  
+ATOM   1806  O   HIS B  97       0.337  -4.532  18.056  1.00 15.82           O  
+ATOM   1807  CB  HIS B  97      -1.053  -5.508  20.203  1.00 17.74           C  
+ATOM   1808  CG  HIS B  97      -1.716  -6.273  21.483  1.00 16.77           C  
+ATOM   1809  ND1 HIS B  97      -2.602  -7.310  21.250  1.00 19.56           N  
+ATOM   1810  CD2 HIS B  97      -1.189  -6.197  22.703  1.00 23.33           C  
+ATOM   1811  CE1 HIS B  97      -2.759  -7.812  22.476  1.00 19.82           C  
+ATOM   1812  NE2 HIS B  97      -2.056  -7.104  23.341  1.00 20.39           N  
+ATOM   1813  N   VAL B  98       1.359  -6.524  17.506  1.00 13.81           N  
+ATOM   1814  CA  VAL B  98       2.284  -5.763  16.567  1.00  9.22           C  
+ATOM   1815  C   VAL B  98       1.443  -5.905  15.109  1.00  9.86           C  
+ATOM   1816  O   VAL B  98       1.420  -7.012  14.615  1.00 12.90           O  
+ATOM   1817  CB  VAL B  98       3.592  -6.460  16.393  1.00  9.87           C  
+ATOM   1818  CG1 VAL B  98       4.438  -5.824  15.405  1.00 14.91           C  
+ATOM   1819  CG2 VAL B  98       4.444  -6.258  17.798  1.00 11.36           C  
+ATOM   1820  N   ASP B  99       1.147  -4.763  14.513  1.00 11.46           N  
+ATOM   1821  CA  ASP B  99       0.360  -4.723  13.272  1.00  9.02           C  
+ATOM   1822  C   ASP B  99       1.555  -5.328  12.375  1.00 15.41           C  
+ATOM   1823  O   ASP B  99       2.744  -4.931  12.235  1.00 10.63           O  
+ATOM   1824  CB  ASP B  99       0.336  -3.327  12.907  1.00  9.79           C  
+ATOM   1825  CG  ASP B  99      -0.231  -3.002  11.431  1.00 10.69           C  
+ATOM   1826  OD1 ASP B  99      -0.535  -1.748  11.309  1.00 15.04           O  
+ATOM   1827  OD2 ASP B  99      -0.299  -4.052  10.734  1.00 11.07           O  
+ATOM   1828  N   PRO B 100       1.274  -6.350  11.556  1.00 10.46           N  
+ATOM   1829  CA  PRO B 100       2.264  -7.099  10.669  1.00 11.87           C  
+ATOM   1830  C   PRO B 100       2.744  -6.170   9.522  1.00 13.04           C  
+ATOM   1831  O   PRO B 100       3.883  -6.627   8.995  1.00 13.79           O  
+ATOM   1832  CB  PRO B 100       1.545  -8.233  10.081  1.00 17.03           C  
+ATOM   1833  CG  PRO B 100       0.234  -8.243  10.793  1.00 17.33           C  
+ATOM   1834  CD  PRO B 100      -0.030  -7.028  11.592  1.00  9.97           C  
+ATOM   1835  N   GLU B 101       2.300  -4.973   9.393  1.00  9.66           N  
+ATOM   1836  CA  GLU B 101       2.927  -3.983   8.469  1.00 11.29           C  
+ATOM   1837  C   GLU B 101       4.322  -3.633   8.825  1.00 17.59           C  
+ATOM   1838  O   GLU B 101       5.293  -3.640   8.196  1.00 16.98           O  
+ATOM   1839  CB  GLU B 101       2.178  -2.819   8.156  1.00 18.71           C  
+ATOM   1840  CG  GLU B 101       2.755  -1.760   7.270  1.00 30.25           C  
+ATOM   1841  CD  GLU B 101       2.569  -2.612   5.445  1.00 26.27           C  
+ATOM   1842  OE1 GLU B 101       1.725  -3.411   5.564  1.00 25.29           O  
+ATOM   1843  OE2 GLU B 101       3.441  -1.765   5.293  1.00 34.30           O  
+ATOM   1844  N   ASN B 102       4.601  -3.752  10.314  1.00 12.60           N  
+ATOM   1845  CA  ASN B 102       5.969  -3.548  10.721  1.00  9.48           C  
+ATOM   1846  C   ASN B 102       6.861  -4.572  10.309  1.00  8.44           C  
+ATOM   1847  O   ASN B 102       8.118  -4.224  10.106  1.00 13.92           O  
+ATOM   1848  CB  ASN B 102       5.901  -3.665  12.265  1.00 18.27           C  
+ATOM   1849  CG  ASN B 102       5.284  -2.285  12.825  1.00 26.18           C  
+ATOM   1850  OD1 ASN B 102       5.641  -1.422  12.815  1.00 20.87           O  
+ATOM   1851  ND2 ASN B 102       4.003  -2.618  13.502  1.00 25.76           N  
+ATOM   1852  N   PHE B 103       6.584  -5.846  10.057  1.00 11.66           N  
+ATOM   1853  CA  PHE B 103       7.332  -6.920   9.605  1.00 11.79           C  
+ATOM   1854  C   PHE B 103       7.931  -6.435   8.177  1.00 19.35           C  
+ATOM   1855  O   PHE B 103       8.997  -6.751   7.762  1.00 16.06           O  
+ATOM   1856  CB  PHE B 103       6.816  -8.253   9.574  1.00 12.75           C  
+ATOM   1857  CG  PHE B 103       6.173  -8.727  10.951  1.00 17.48           C  
+ATOM   1858  CD1 PHE B 103       6.884  -8.372  12.079  1.00 13.65           C  
+ATOM   1859  CD2 PHE B 103       5.035  -9.335  10.925  1.00 13.36           C  
+ATOM   1860  CE1 PHE B 103       6.240  -8.652  13.315  1.00 14.94           C  
+ATOM   1861  CE2 PHE B 103       4.498  -9.665  12.273  1.00 14.24           C  
+ATOM   1862  CZ  PHE B 103       5.298  -9.364  13.368  1.00 19.61           C  
+ATOM   1863  N   ARG B 104       6.970  -5.873   7.380  1.00 13.60           N  
+ATOM   1864  CA  ARG B 104       7.430  -5.624   6.005  1.00 17.00           C  
+ATOM   1865  C   ARG B 104       8.326  -4.499   5.935  1.00 13.66           C  
+ATOM   1866  O   ARG B 104       9.337  -4.368   5.141  1.00 13.41           O  
+ATOM   1867  CB  ARG B 104       6.018  -5.177   5.223  1.00 18.62           C  
+ATOM   1868  CG  ARG B 104       5.137  -6.280   4.965  1.00 31.60           C  
+ATOM   1869  CD  ARG B 104       3.494  -6.093   4.370  1.00 44.99           C  
+ATOM   1870  NE  ARG B 104       2.810  -7.429   5.065  1.00 53.69           N  
+ATOM   1871  CZ  ARG B 104       1.600  -6.829   3.420  1.00 80.12           C  
+ATOM   1872  NH1 ARG B 104       0.761  -5.157   3.344  1.00 72.76           N  
+ATOM   1873  NH2 ARG B 104       1.186  -8.540   2.528  1.00 80.07           N  
+ATOM   1874  N   LEU B 105       8.064  -3.438   6.831  1.00 12.29           N  
+ATOM   1875  CA  LEU B 105       8.899  -2.275   6.982  1.00 11.07           C  
+ATOM   1876  C   LEU B 105      10.327  -2.808   7.482  1.00 13.91           C  
+ATOM   1877  O   LEU B 105      11.317  -2.347   6.887  1.00 14.94           O  
+ATOM   1878  CB  LEU B 105       8.443  -1.409   8.005  1.00 12.50           C  
+ATOM   1879  CG  LEU B 105       7.121  -0.514   7.549  1.00 17.21           C  
+ATOM   1880  CD1 LEU B 105       6.747   0.236   8.813  1.00 19.52           C  
+ATOM   1881  CD2 LEU B 105       7.420   0.384   6.353  1.00 25.82           C  
+ATOM   1882  N   LEU B 106      10.302  -3.738   8.415  1.00 16.16           N  
+ATOM   1883  CA  LEU B 106      11.679  -4.227   8.855  1.00 11.19           C  
+ATOM   1884  C   LEU B 106      12.325  -4.914   7.713  1.00 11.49           C  
+ATOM   1885  O   LEU B 106      13.544  -4.734   7.492  1.00 14.59           O  
+ATOM   1886  CB  LEU B 106      11.615  -5.043  10.074  1.00  9.57           C  
+ATOM   1887  CG  LEU B 106      12.904  -5.567  10.740  1.00 14.52           C  
+ATOM   1888  CD1 LEU B 106      13.738  -4.483  11.015  1.00 20.21           C  
+ATOM   1889  CD2 LEU B 106      12.609  -6.504  11.567  1.00 25.23           C  
+ATOM   1890  N   GLY B 107      11.728  -5.699   6.854  1.00  8.80           N  
+ATOM   1891  CA  GLY B 107      12.297  -6.476   5.851  1.00 11.35           C  
+ATOM   1892  C   GLY B 107      12.781  -5.426   4.844  1.00 11.83           C  
+ATOM   1893  O   GLY B 107      13.958  -5.700   4.332  1.00 14.42           O  
+ATOM   1894  N   ASN B 108      12.187  -4.243   4.553  1.00 11.55           N  
+ATOM   1895  CA  ASN B 108      12.802  -3.506   3.538  1.00  9.47           C  
+ATOM   1896  C   ASN B 108      14.026  -2.647   4.184  1.00  9.85           C  
+ATOM   1897  O   ASN B 108      14.983  -2.466   3.460  1.00 13.16           O  
+ATOM   1898  CB  ASN B 108      11.824  -2.458   3.182  1.00 16.47           C  
+ATOM   1899  CG  ASN B 108      10.727  -3.234   1.924  1.00 25.36           C  
+ATOM   1900  OD1 ASN B 108      11.335  -4.320   1.398  1.00 28.00           O  
+ATOM   1901  ND2 ASN B 108      10.036  -2.270   2.100  1.00 42.45           N  
+ATOM   1902  N   VAL B 109      14.008  -2.327   5.491  1.00 11.97           N  
+ATOM   1903  CA  VAL B 109      15.193  -1.717   6.001  1.00  8.99           C  
+ATOM   1904  C   VAL B 109      16.259  -2.676   6.124  1.00 12.55           C  
+ATOM   1905  O   VAL B 109      17.518  -2.304   5.902  1.00 13.71           O  
+ATOM   1906  CB  VAL B 109      14.853  -1.250   7.488  1.00 15.07           C  
+ATOM   1907  CG1 VAL B 109      16.100  -0.810   8.069  1.00 19.91           C  
+ATOM   1908  CG2 VAL B 109      13.852   0.066   7.393  1.00 15.78           C  
+ATOM   1909  N   LEU B 110      16.030  -4.023   6.388  1.00  9.97           N  
+ATOM   1910  CA  LEU B 110      17.059  -5.101   6.357  1.00  9.78           C  
+ATOM   1911  C   LEU B 110      17.764  -5.056   5.040  1.00 13.14           C  
+ATOM   1912  O   LEU B 110      18.980  -5.187   4.895  1.00 11.97           O  
+ATOM   1913  CB  LEU B 110      16.410  -6.369   6.847  1.00 11.11           C  
+ATOM   1914  CG  LEU B 110      17.490  -7.596   6.862  1.00 18.59           C  
+ATOM   1915  CD1 LEU B 110      18.696  -7.290   7.723  1.00 24.07           C  
+ATOM   1916  CD2 LEU B 110      17.031  -8.897   7.193  1.00 21.67           C  
+ATOM   1917  N   VAL B 111      17.015  -5.083   3.938  1.00 10.25           N  
+ATOM   1918  CA  VAL B 111      17.517  -5.121   2.535  1.00  8.08           C  
+ATOM   1919  C   VAL B 111      18.459  -3.959   2.465  1.00 10.10           C  
+ATOM   1920  O   VAL B 111      19.605  -3.960   1.822  1.00 14.18           O  
+ATOM   1921  CB  VAL B 111      16.320  -5.216   1.576  1.00 11.95           C  
+ATOM   1922  CG1 VAL B 111      16.949  -4.942   0.196  1.00 16.64           C  
+ATOM   1923  CG2 VAL B 111      15.888  -6.643   1.659  1.00 12.92           C  
+ATOM   1924  N   CYS B 112      18.155  -2.685   2.811  1.00 10.01           N  
+ATOM   1925  CA  CYS B 112      18.863  -1.400   2.699  1.00  9.19           C  
+ATOM   1926  C   CYS B 112      20.143  -1.657   3.581  1.00 14.92           C  
+ATOM   1927  O   CYS B 112      21.199  -1.284   3.015  1.00 13.93           O  
+ATOM   1928  CB  CYS B 112      18.369  -0.230   3.207  1.00 15.04           C  
+ATOM   1929  SG  CYS B 112      16.911   0.308   2.042  1.00 18.10           S  
+ATOM   1930  N   VAL B 113      19.969  -2.202   4.651  1.00  9.52           N  
+ATOM   1931  CA  VAL B 113      21.202  -2.512   5.398  1.00 11.92           C  
+ATOM   1932  C   VAL B 113      22.035  -3.532   4.865  1.00 15.57           C  
+ATOM   1933  O   VAL B 113      23.397  -3.138   4.862  1.00 13.38           O  
+ATOM   1934  CB  VAL B 113      20.888  -2.948   6.932  1.00 12.70           C  
+ATOM   1935  CG1 VAL B 113      22.031  -3.383   7.663  1.00 17.23           C  
+ATOM   1936  CG2 VAL B 113      20.282  -1.893   7.694  1.00 17.43           C  
+ATOM   1937  N   LEU B 114      21.768  -4.615   4.224  1.00 10.74           N  
+ATOM   1938  CA  LEU B 114      22.632  -5.454   3.485  1.00 10.20           C  
+ATOM   1939  C   LEU B 114      23.346  -4.641   2.455  1.00 10.87           C  
+ATOM   1940  O   LEU B 114      24.522  -5.071   2.156  1.00 12.76           O  
+ATOM   1941  CB  LEU B 114      21.856  -6.600   3.242  1.00  6.84           C  
+ATOM   1942  CG  LEU B 114      21.362  -7.530   4.328  1.00 10.74           C  
+ATOM   1943  CD1 LEU B 114      20.435  -8.554   3.798  1.00 15.38           C  
+ATOM   1944  CD2 LEU B 114      22.500  -8.141   5.077  1.00 21.35           C  
+ATOM   1945  N   ALA B 115      22.472  -3.897   1.677  1.00  9.28           N  
+ATOM   1946  CA  ALA B 115      23.134  -3.206   0.546  1.00  9.22           C  
+ATOM   1947  C   ALA B 115      24.284  -2.278   1.091  1.00  9.44           C  
+ATOM   1948  O   ALA B 115      25.320  -2.142   0.446  1.00 12.10           O  
+ATOM   1949  CB  ALA B 115      21.930  -2.539  -0.036  1.00 12.15           C  
+ATOM   1950  N   HIS B 116      23.975  -1.612   2.171  1.00 13.11           N  
+ATOM   1951  CA  HIS B 116      25.023  -0.593   2.641  1.00 12.81           C  
+ATOM   1952  C   HIS B 116      26.176  -1.395   3.061  1.00 18.85           C  
+ATOM   1953  O   HIS B 116      27.357  -0.986   2.878  1.00 16.05           O  
+ATOM   1954  CB  HIS B 116      24.442   0.070   3.767  1.00 17.43           C  
+ATOM   1955  CG  HIS B 116      25.164   1.158   4.279  1.00 27.80           C  
+ATOM   1956  ND1 HIS B 116      25.567   1.157   5.736  1.00 27.30           N  
+ATOM   1957  CD2 HIS B 116      25.793   2.195   3.793  1.00 25.62           C  
+ATOM   1958  CE1 HIS B 116      26.226   2.480   5.818  1.00 29.22           C  
+ATOM   1959  NE2 HIS B 116      26.570   2.986   4.660  1.00 26.05           N  
+ATOM   1960  N   HIS B 117      26.066  -2.490   3.850  1.00 11.35           N  
+ATOM   1961  CA  HIS B 117      27.064  -3.366   4.194  1.00 18.75           C  
+ATOM   1962  C   HIS B 117      27.881  -3.985   3.242  1.00 20.53           C  
+ATOM   1963  O   HIS B 117      29.104  -4.114   3.403  1.00 17.07           O  
+ATOM   1964  CB  HIS B 117      26.621  -4.637   5.175  1.00 19.57           C  
+ATOM   1965  CG  HIS B 117      27.096  -4.621   6.444  1.00 39.90           C  
+ATOM   1966  ND1 HIS B 117      26.039  -3.036   6.824  1.00 47.73           N  
+ATOM   1967  CD2 HIS B 117      28.146  -5.329   7.512  1.00 38.82           C  
+ATOM   1968  CE1 HIS B 117      26.295  -2.928   8.550  1.00 27.38           C  
+ATOM   1969  NE2 HIS B 117      26.763  -4.335   8.924  1.00 51.83           N  
+ATOM   1970  N   PHE B 118      27.367  -4.628   2.104  1.00 13.44           N  
+ATOM   1971  CA  PHE B 118      27.888  -5.419   1.096  1.00 13.47           C  
+ATOM   1972  C   PHE B 118      28.280  -4.574  -0.126  1.00 14.52           C  
+ATOM   1973  O   PHE B 118      29.082  -5.219  -0.874  1.00 15.85           O  
+ATOM   1974  CB  PHE B 118      27.174  -6.618   0.947  1.00 14.99           C  
+ATOM   1975  CG  PHE B 118      27.310  -7.470   1.980  1.00 22.65           C  
+ATOM   1976  CD1 PHE B 118      26.224  -7.666   2.855  1.00 28.61           C  
+ATOM   1977  CD2 PHE B 118      28.549  -8.159   2.601  1.00 34.26           C  
+ATOM   1978  CE1 PHE B 118      26.242  -8.675   3.981  1.00 29.50           C  
+ATOM   1979  CE2 PHE B 118      28.351  -9.080   3.277  1.00 36.60           C  
+ATOM   1980  CZ  PHE B 118      27.627  -9.130   4.417  1.00 30.15           C  
+ATOM   1981  N   GLY B 119      27.701  -3.412  -0.335  1.00 13.81           N  
+ATOM   1982  CA  GLY B 119      28.107  -2.567  -1.533  1.00 14.28           C  
+ATOM   1983  C   GLY B 119      27.814  -3.353  -2.686  1.00 17.07           C  
+ATOM   1984  O   GLY B 119      26.808  -4.212  -2.888  1.00 16.48           O  
+ATOM   1985  N   LYS B 120      28.740  -3.472  -3.465  1.00 19.17           N  
+ATOM   1986  CA  LYS B 120      28.535  -4.059  -4.848  1.00 27.00           C  
+ATOM   1987  C   LYS B 120      28.486  -5.640  -4.886  1.00 25.94           C  
+ATOM   1988  O   LYS B 120      27.868  -6.039  -5.935  1.00 20.66           O  
+ATOM   1989  CB  LYS B 120      29.863  -3.838  -5.852  1.00 31.85           C  
+ATOM   1990  CG  LYS B 120      30.960  -4.510  -5.562  1.00 36.58           C  
+ATOM   1991  CD  LYS B 120      32.161  -4.170  -6.625  1.00 49.76           C  
+ATOM   1992  CE  LYS B 120      33.201  -5.292  -5.966  1.00 55.47           C  
+ATOM   1993  NZ  LYS B 120      34.292  -5.686  -6.589  1.00 71.03           N  
+ATOM   1994  N   GLU B 121      28.720  -6.302  -3.902  1.00 20.26           N  
+ATOM   1995  CA  GLU B 121      28.393  -7.556  -3.778  1.00 15.17           C  
+ATOM   1996  C   GLU B 121      26.786  -7.871  -3.622  1.00 13.63           C  
+ATOM   1997  O   GLU B 121      26.362  -9.055  -3.923  1.00 17.16           O  
+ATOM   1998  CB  GLU B 121      29.233  -8.318  -2.533  1.00 29.40           C  
+ATOM   1999  CG  GLU B 121      29.541  -9.342  -2.700  1.00 50.25           C  
+ATOM   2000  CD  GLU B 121      30.241  -9.882  -0.830  1.00 42.74           C  
+ATOM   2001  OE1 GLU B 121      29.786 -11.667  -1.141  1.00 47.83           O  
+ATOM   2002  OE2 GLU B 121      31.217  -9.425  -1.168  1.00 34.52           O  
+ATOM   2003  N   PHE B 122      26.054  -6.831  -3.241  1.00 14.63           N  
+ATOM   2004  CA  PHE B 122      24.581  -7.077  -3.075  1.00 15.34           C  
+ATOM   2005  C   PHE B 122      24.015  -6.737  -4.532  1.00 13.61           C  
+ATOM   2006  O   PHE B 122      23.478  -5.701  -4.760  1.00 14.29           O  
+ATOM   2007  CB  PHE B 122      24.133  -6.005  -1.987  1.00 12.07           C  
+ATOM   2008  CG  PHE B 122      22.750  -6.466  -1.525  1.00 11.02           C  
+ATOM   2009  CD1 PHE B 122      22.540  -7.652  -0.894  1.00 16.65           C  
+ATOM   2010  CD2 PHE B 122      21.790  -5.593  -1.747  1.00 10.83           C  
+ATOM   2011  CE1 PHE B 122      21.288  -8.069  -0.329  1.00 13.73           C  
+ATOM   2012  CE2 PHE B 122      20.427  -5.937  -1.325  1.00 12.97           C  
+ATOM   2013  CZ  PHE B 122      20.322  -7.247  -0.672  1.00 16.05           C  
+ATOM   2014  N   THR B 123      24.216  -7.664  -5.332  1.00 18.07           N  
+ATOM   2015  CA  THR B 123      23.866  -7.444  -6.796  1.00 21.03           C  
+ATOM   2016  C   THR B 123      22.176  -7.347  -6.888  1.00 27.18           C  
+ATOM   2017  O   THR B 123      21.678  -7.911  -6.078  1.00 14.31           O  
+ATOM   2018  CB  THR B 123      24.352  -8.535  -7.622  1.00 19.82           C  
+ATOM   2019  OG1 THR B 123      24.030  -9.746  -7.305  1.00 17.47           O  
+ATOM   2020  CG2 THR B 123      25.945  -8.568  -7.681  1.00 22.67           C  
+ATOM   2021  N   PRO B 124      21.821  -7.033  -7.981  1.00 19.47           N  
+ATOM   2022  CA  PRO B 124      20.309  -7.060  -8.306  1.00 20.19           C  
+ATOM   2023  C   PRO B 124      19.874  -8.457  -8.199  1.00 20.69           C  
+ATOM   2024  O   PRO B 124      18.738  -8.543  -7.455  1.00 13.34           O  
+ATOM   2025  CB  PRO B 124      20.074  -6.480  -9.678  1.00 17.09           C  
+ATOM   2026  CG  PRO B 124      21.308  -5.510  -9.842  1.00 18.87           C  
+ATOM   2027  CD  PRO B 124      22.649  -6.190  -9.202  1.00 24.42           C  
+ATOM   2028  N   PRO B 125      20.354  -9.489  -8.576  1.00 16.20           N  
+ATOM   2029  CA  PRO B 125      19.952 -10.892  -8.433  1.00 16.84           C  
+ATOM   2030  C   PRO B 125      19.925 -11.341  -6.992  1.00 14.92           C  
+ATOM   2031  O   PRO B 125      18.950 -11.983  -6.530  1.00 16.05           O  
+ATOM   2032  CB  PRO B 125      20.675 -11.924  -9.198  1.00 19.48           C  
+ATOM   2033  CG  PRO B 125      21.240 -11.056 -10.143  1.00 21.56           C  
+ATOM   2034  CD  PRO B 125      21.611  -9.723  -9.654  1.00 25.73           C  
+ATOM   2035  N   VAL B 126      20.904 -10.923  -6.329  1.00 13.83           N  
+ATOM   2036  CA  VAL B 126      20.919 -11.183  -4.904  1.00 19.80           C  
+ATOM   2037  C   VAL B 126      20.061 -10.295  -4.143  1.00 14.89           C  
+ATOM   2038  O   VAL B 126      19.229 -10.946  -3.203  1.00 13.92           O  
+ATOM   2039  CB  VAL B 126      22.424 -10.769  -4.382  1.00 19.55           C  
+ATOM   2040  CG1 VAL B 126      22.408 -11.156  -2.912  1.00 21.55           C  
+ATOM   2041  CG2 VAL B 126      23.366 -11.841  -4.809  1.00 27.82           C  
+ATOM   2042  N   GLN B 127      19.711  -9.155  -4.321  1.00 13.64           N  
+ATOM   2043  CA  GLN B 127      18.607  -8.382  -3.880  1.00  9.72           C  
+ATOM   2044  C   GLN B 127      17.397  -9.130  -3.899  1.00 16.14           C  
+ATOM   2045  O   GLN B 127      16.431  -9.272  -3.189  1.00 12.24           O  
+ATOM   2046  CB  GLN B 127      18.574  -6.951  -4.292  1.00 13.15           C  
+ATOM   2047  CG  GLN B 127      17.258  -6.340  -3.818  1.00 13.42           C  
+ATOM   2048  CD  GLN B 127      17.180  -5.056  -4.465  1.00 16.28           C  
+ATOM   2049  OE1 GLN B 127      17.979  -4.488  -5.247  1.00 16.20           O  
+ATOM   2050  NE2 GLN B 127      16.107  -4.400  -4.118  1.00 19.47           N  
+ATOM   2051  N   ALA B 128      17.014  -9.478  -5.230  1.00 15.15           N  
+ATOM   2052  CA  ALA B 128      15.847 -10.225  -5.543  1.00 15.02           C  
+ATOM   2053  C   ALA B 128      15.496 -11.450  -4.737  1.00 11.97           C  
+ATOM   2054  O   ALA B 128      14.413 -11.642  -4.228  1.00 16.35           O  
+ATOM   2055  CB  ALA B 128      15.759 -10.403  -7.092  1.00 17.08           C  
+ATOM   2056  N   ALA B 129      16.462 -12.287  -4.461  1.00 13.66           N  
+ATOM   2057  CA  ALA B 129      16.408 -13.427  -3.647  1.00 13.76           C  
+ATOM   2058  C   ALA B 129      16.208 -12.966  -2.160  1.00 10.22           C  
+ATOM   2059  O   ALA B 129      15.192 -13.627  -1.584  1.00 10.46           O  
+ATOM   2060  CB  ALA B 129      17.632 -14.165  -3.702  1.00 13.23           C  
+ATOM   2061  N   TYR B 130      16.867 -11.953  -1.693  1.00 10.66           N  
+ATOM   2062  CA  TYR B 130      16.462 -11.629  -0.331  1.00 13.05           C  
+ATOM   2063  C   TYR B 130      15.102 -10.929  -0.163  1.00 11.70           C  
+ATOM   2064  O   TYR B 130      14.473 -11.012   0.813  1.00 11.83           O  
+ATOM   2065  CB  TYR B 130      17.543 -10.575   0.161  1.00 11.97           C  
+ATOM   2066  CG  TYR B 130      18.623 -11.287   0.924  1.00 13.90           C  
+ATOM   2067  CD1 TYR B 130      18.650 -11.526   2.272  1.00 15.61           C  
+ATOM   2068  CD2 TYR B 130      19.782 -11.574   0.237  1.00 14.18           C  
+ATOM   2069  CE1 TYR B 130      19.630 -12.272   2.811  1.00 19.97           C  
+ATOM   2070  CE2 TYR B 130      20.865 -12.543   0.889  1.00 19.65           C  
+ATOM   2071  CZ  TYR B 130      20.770 -12.571   2.260  1.00 22.28           C  
+ATOM   2072  OH  TYR B 130      21.731 -13.339   2.902  1.00 21.52           O  
+ATOM   2073  N   GLN B 131      14.606 -10.236  -1.202  1.00 12.03           N  
+ATOM   2074  CA  GLN B 131      13.282  -9.830  -1.214  1.00 12.03           C  
+ATOM   2075  C   GLN B 131      12.216 -10.851  -1.125  1.00 12.76           C  
+ATOM   2076  O   GLN B 131      11.369 -10.664  -0.189  1.00 15.09           O  
+ATOM   2077  CB  GLN B 131      12.944  -9.078  -2.464  1.00 14.85           C  
+ATOM   2078  CG  GLN B 131      13.735  -7.716  -2.449  1.00 19.57           C  
+ATOM   2079  CD  GLN B 131      13.251  -6.548  -1.638  1.00 22.82           C  
+ATOM   2080  OE1 GLN B 131      13.981  -5.553  -1.833  1.00 18.44           O  
+ATOM   2081  NE2 GLN B 131      12.251  -6.415  -0.990  1.00 16.43           N  
+ATOM   2082  N   LYS B 132      12.503 -11.991  -1.746  1.00 12.50           N  
+ATOM   2083  CA  LYS B 132      11.644 -13.098  -1.708  1.00 14.23           C  
+ATOM   2084  C   LYS B 132      11.592 -13.603  -0.224  1.00 17.46           C  
+ATOM   2085  O   LYS B 132      10.599 -13.851   0.497  1.00 14.87           O  
+ATOM   2086  CB  LYS B 132      11.937 -14.147  -2.452  1.00 19.74           C  
+ATOM   2087  CG  LYS B 132      11.561 -13.879  -3.966  1.00 26.28           C  
+ATOM   2088  CD  LYS B 132      11.989 -15.031  -4.739  1.00 31.58           C  
+ATOM   2089  CE  LYS B 132      11.660 -14.274  -6.180  1.00 32.98           C  
+ATOM   2090  NZ  LYS B 132      12.119 -15.998  -6.779  1.00 37.48           N  
+ATOM   2091  N   VAL B 133      12.856 -13.702   0.483  1.00 17.22           N  
+ATOM   2092  CA  VAL B 133      13.038 -14.205   1.805  1.00 11.45           C  
+ATOM   2093  C   VAL B 133      12.401 -13.319   2.840  1.00 11.90           C  
+ATOM   2094  O   VAL B 133      11.556 -13.799   3.731  1.00 13.71           O  
+ATOM   2095  CB  VAL B 133      14.459 -14.401   2.160  1.00 16.41           C  
+ATOM   2096  CG1 VAL B 133      14.632 -14.683   3.511  1.00 36.18           C  
+ATOM   2097  CG2 VAL B 133      15.014 -15.541   1.250  1.00 15.51           C  
+ATOM   2098  N   VAL B 134      12.512 -11.981   2.749  1.00 13.21           N  
+ATOM   2099  CA  VAL B 134      12.091 -11.081   3.574  1.00 12.26           C  
+ATOM   2100  C   VAL B 134      10.632 -11.128   3.483  1.00 16.19           C  
+ATOM   2101  O   VAL B 134       9.763 -10.888   4.517  1.00 17.40           O  
+ATOM   2102  CB  VAL B 134      12.356  -9.643   3.780  1.00 11.96           C  
+ATOM   2103  CG1 VAL B 134      13.841  -9.777   4.082  1.00 18.38           C  
+ATOM   2104  CG2 VAL B 134      12.314  -8.873   2.475  1.00 14.78           C  
+ATOM   2105  N   ALA B 135       9.938 -11.113   2.262  1.00 13.32           N  
+ATOM   2106  CA  ALA B 135       8.505 -11.237   2.119  1.00 21.37           C  
+ATOM   2107  C   ALA B 135       7.942 -12.494   2.777  1.00 17.09           C  
+ATOM   2108  O   ALA B 135       6.829 -12.512   3.348  1.00 17.43           O  
+ATOM   2109  CB  ALA B 135       8.135 -10.953   0.769  1.00 28.77           C  
+ATOM   2110  N   GLY B 136       8.572 -13.635   2.636  1.00 18.26           N  
+ATOM   2111  CA  GLY B 136       8.219 -15.058   3.189  1.00 19.82           C  
+ATOM   2112  C   GLY B 136       8.146 -14.912   4.633  1.00 16.67           C  
+ATOM   2113  O   GLY B 136       7.260 -15.405   5.231  1.00 15.34           O  
+ATOM   2114  N   VAL B 137       9.300 -14.354   5.275  1.00 19.06           N  
+ATOM   2115  CA  VAL B 137       9.275 -14.229   6.676  1.00 13.40           C  
+ATOM   2116  C   VAL B 137       8.222 -13.320   7.172  1.00 14.98           C  
+ATOM   2117  O   VAL B 137       7.448 -13.726   8.127  1.00 15.32           O  
+ATOM   2118  CB  VAL B 137      10.681 -13.683   7.141  1.00 12.05           C  
+ATOM   2119  CG1 VAL B 137      10.587 -13.517   8.589  1.00 24.37           C  
+ATOM   2120  CG2 VAL B 137      11.663 -14.723   6.701  1.00 11.44           C  
+ATOM   2121  N   ALA B 138       7.830 -12.223   6.567  1.00 14.63           N  
+ATOM   2122  CA  ALA B 138       6.739 -11.343   6.960  1.00 14.97           C  
+ATOM   2123  C   ALA B 138       5.477 -12.035   7.025  1.00 14.00           C  
+ATOM   2124  O   ALA B 138       4.520 -11.965   7.766  1.00 15.18           O  
+ATOM   2125  CB  ALA B 138       6.733 -10.129   6.135  1.00 21.60           C  
+ATOM   2126  N   ASN B 139       5.257 -12.632   5.801  1.00 14.76           N  
+ATOM   2127  CA  ASN B 139       3.965 -13.443   5.693  1.00 19.56           C  
+ATOM   2128  C   ASN B 139       3.788 -14.741   6.508  1.00 16.64           C  
+ATOM   2129  O   ASN B 139       2.773 -14.813   7.122  1.00 15.66           O  
+ATOM   2130  CB  ASN B 139       3.915 -14.281   4.273  1.00 32.30           C  
+ATOM   2131  CG  ASN B 139       3.642 -13.817   3.893  1.00 58.46           C  
+ATOM   2132  OD1 ASN B 139       3.350 -12.337   3.410  1.00 49.38           O  
+ATOM   2133  ND2 ASN B 139       4.138 -13.358   1.997  1.00 59.02           N  
+ATOM   2134  N   ALA B 140       4.975 -15.279   6.996  1.00 12.53           N  
+ATOM   2135  CA  ALA B 140       4.880 -16.341   7.880  1.00 19.39           C  
+ATOM   2136  C   ALA B 140       4.686 -15.725   9.225  1.00 15.37           C  
+ATOM   2137  O   ALA B 140       3.890 -16.337  10.107  1.00 15.92           O  
+ATOM   2138  CB  ALA B 140       6.298 -17.186   7.962  1.00 22.20           C  
+ATOM   2139  N   LEU B 141       5.135 -14.663   9.697  1.00 12.47           N  
+ATOM   2140  CA  LEU B 141       4.897 -13.957  10.913  1.00 15.63           C  
+ATOM   2141  C   LEU B 141       3.480 -13.697  11.034  1.00 21.66           C  
+ATOM   2142  O   LEU B 141       2.905 -13.294  12.092  1.00 17.40           O  
+ATOM   2143  CB  LEU B 141       5.926 -12.962  11.275  1.00 15.12           C  
+ATOM   2144  CG  LEU B 141       7.158 -13.407  11.868  1.00 17.02           C  
+ATOM   2145  CD1 LEU B 141       8.083 -12.226  12.076  1.00 19.94           C  
+ATOM   2146  CD2 LEU B 141       7.122 -13.935  13.238  1.00 21.74           C  
+ATOM   2147  N   ALA B 142       2.836 -13.244   9.876  1.00 12.86           N  
+ATOM   2148  CA  ALA B 142       1.608 -12.628   9.849  1.00 14.61           C  
+ATOM   2149  C   ALA B 142       0.405 -13.995   9.823  1.00 20.31           C  
+ATOM   2150  O   ALA B 142      -0.813 -13.424  10.022  1.00 18.06           O  
+ATOM   2151  CB  ALA B 142       1.282 -11.676   8.702  1.00 21.40           C  
+ATOM   2152  N   HIS B 143       0.842 -15.030   9.582  1.00 17.95           N  
+ATOM   2153  CA  HIS B 143       0.024 -16.256   9.074  1.00 26.37           C  
+ATOM   2154  C   HIS B 143      -1.200 -16.456  10.329  1.00 19.76           C  
+ATOM   2155  O   HIS B 143      -2.306 -16.886   9.956  1.00 21.59           O  
+ATOM   2156  CB  HIS B 143       0.773 -17.382   8.911  1.00 35.96           C  
+ATOM   2157  CG  HIS B 143      -0.236 -18.629   8.237  1.00 57.59           C  
+ATOM   2158  ND1 HIS B 143       0.057 -19.594   9.608  1.00 48.44           N  
+ATOM   2159  CD2 HIS B 143      -0.841 -18.281   7.293  1.00 54.87           C  
+ATOM   2160  CE1 HIS B 143      -0.983 -20.316   8.077  1.00 74.03           C  
+ATOM   2161  NE2 HIS B 143      -1.640 -19.381   7.013  1.00 57.99           N  
+ATOM   2162  N   LYS B 144      -0.804 -16.302  11.559  1.00 18.69           N  
+ATOM   2163  CA  LYS B 144      -1.735 -16.737  12.588  1.00 14.86           C  
+ATOM   2164  C   LYS B 144      -2.396 -15.617  12.962  1.00 16.55           C  
+ATOM   2165  O   LYS B 144      -3.129 -15.705  14.113  1.00 18.03           O  
+ATOM   2166  CB  LYS B 144      -0.819 -17.365  13.621  1.00 17.13           C  
+ATOM   2167  CG  LYS B 144      -0.392 -18.897  13.123  1.00 20.99           C  
+ATOM   2168  CD  LYS B 144      -1.238 -19.970  13.316  1.00 34.56           C  
+ATOM   2169  CE  LYS B 144      -2.035 -21.775  13.683  1.00 62.41           C  
+ATOM   2170  NZ  LYS B 144      -0.955 -22.424  15.226  1.00 62.40           N  
+ATOM   2171  N   TYR B 145      -2.408 -14.424  12.668  1.00 19.33           N  
+ATOM   2172  CA  TYR B 145      -3.111 -13.193  12.851  1.00 25.80           C  
+ATOM   2173  C   TYR B 145      -4.833 -13.485  12.942  1.00 37.10           C  
+ATOM   2174  O   TYR B 145      -4.989 -14.273  11.858  1.00 25.59           O  
+ATOM   2175  CB  TYR B 145      -2.815 -11.990  12.502  1.00 20.19           C  
+ATOM   2176  CG  TYR B 145      -1.513 -11.202  13.062  1.00 16.11           C  
+ATOM   2177  CD1 TYR B 145      -1.713 -10.043  13.732  1.00 13.84           C  
+ATOM   2178  CD2 TYR B 145      -0.444 -12.052  12.964  1.00 19.35           C  
+ATOM   2179  CE1 TYR B 145      -0.716  -9.470  14.306  1.00 14.00           C  
+ATOM   2180  CE2 TYR B 145       0.824 -11.431  13.760  1.00 16.15           C  
+ATOM   2181  CZ  TYR B 145       0.705 -10.123  14.396  1.00 11.23           C  
+ATOM   2182  OH  TYR B 145       1.824  -9.505  14.779  1.00 11.07           O  
+ATOM   2183  N   HIS B 146      -5.455 -13.156  13.610  1.00 22.40           N  
+ATOM   2184  CA  HIS B 146      -7.082 -13.260  13.817  1.00 24.36           C  
+ATOM   2185  C   HIS B 146      -7.642 -12.243  14.547  1.00 19.29           C  
+ATOM   2186  O   HIS B 146      -6.896 -11.423  15.229  1.00 20.20           O  
+ATOM   2187  CB  HIS B 146      -7.319 -14.676  14.251  1.00 17.91           C  
+ATOM   2188  CG  HIS B 146      -7.349 -14.408  16.278  1.00 30.29           C  
+ATOM   2189  ND1 HIS B 146      -7.504 -15.329  16.577  1.00 56.02           N  
+ATOM   2190  CD2 HIS B 146      -5.754 -14.700  16.400  1.00 32.02           C  
+ATOM   2191  CE1 HIS B 146      -6.763 -15.571  18.243  1.00 45.40           C  
+ATOM   2192  NE2 HIS B 146      -6.023 -14.569  17.782  1.00 35.25           N  
+ATOM   2193  OXT HIS B 146      -8.867 -12.118  14.478  1.00 28.98           O  
+TER    2194      HIS B 146                                                      
+ATOM   2195  N   VAL C   1      -6.932  15.801  -4.736  1.00 53.78           N  
+ATOM   2196  CA  VAL C   1      -6.986  18.132  -4.726  1.00 39.83           C  
+ATOM   2197  C   VAL C   1      -8.725  18.013  -5.289  1.00 29.73           C  
+ATOM   2198  O   VAL C   1      -9.322  17.317  -6.202  1.00 31.20           O  
+ATOM   2199  CB  VAL C   1      -6.406  17.702  -5.747  1.00 52.94           C  
+ATOM   2200  CG1 VAL C   1      -7.045  19.788  -6.149  1.00 47.73           C  
+ATOM   2201  CG2 VAL C   1      -5.138  19.765  -5.197  1.00 67.01           C  
+ATOM   2202  N   LEU C   2      -9.481  18.489  -4.357  1.00 33.50           N  
+ATOM   2203  CA  LEU C   2     -10.829  18.318  -4.244  1.00 35.54           C  
+ATOM   2204  C   LEU C   2     -11.593  19.461  -5.392  1.00 25.83           C  
+ATOM   2205  O   LEU C   2     -11.224  20.587  -4.763  1.00 37.30           O  
+ATOM   2206  CB  LEU C   2     -11.320  18.570  -2.993  1.00 38.49           C  
+ATOM   2207  CG  LEU C   2     -11.368  17.191  -2.068  1.00 34.89           C  
+ATOM   2208  CD1 LEU C   2     -11.559  17.406  -0.855  1.00 40.00           C  
+ATOM   2209  CD2 LEU C   2     -11.556  16.072  -2.571  1.00 36.30           C  
+ATOM   2210  N   SER C   3     -12.051  19.126  -6.445  1.00 20.82           N  
+ATOM   2211  CA  SER C   3     -12.764  20.102  -7.265  1.00 16.99           C  
+ATOM   2212  C   SER C   3     -13.851  20.641  -6.492  1.00 19.86           C  
+ATOM   2213  O   SER C   3     -14.562  20.118  -5.605  1.00 23.30           O  
+ATOM   2214  CB  SER C   3     -12.915  19.412  -8.479  1.00 21.69           C  
+ATOM   2215  OG  SER C   3     -14.045  18.617  -8.438  1.00 24.96           O  
+ATOM   2216  N   PRO C   4     -14.614  21.747  -7.040  1.00 27.73           N  
+ATOM   2217  CA  PRO C   4     -15.686  22.248  -6.606  1.00 18.30           C  
+ATOM   2218  C   PRO C   4     -16.940  21.185  -6.683  1.00 21.79           C  
+ATOM   2219  O   PRO C   4     -17.669  21.118  -5.776  1.00 30.78           O  
+ATOM   2220  CB  PRO C   4     -16.024  23.555  -7.534  1.00 35.17           C  
+ATOM   2221  CG  PRO C   4     -14.548  23.940  -7.997  1.00 39.10           C  
+ATOM   2222  CD  PRO C   4     -13.753  22.599  -7.931  1.00 33.69           C  
+ATOM   2223  N   ALA C   5     -16.700  20.569  -7.707  1.00 20.53           N  
+ATOM   2224  CA  ALA C   5     -17.694  19.448  -7.877  1.00 15.17           C  
+ATOM   2225  C   ALA C   5     -17.668  18.427  -6.566  1.00 17.36           C  
+ATOM   2226  O   ALA C   5     -18.567  17.818  -6.161  1.00 18.86           O  
+ATOM   2227  CB  ALA C   5     -17.845  18.678  -9.144  1.00 14.70           C  
+ATOM   2228  N   ASP C   6     -16.408  17.997  -6.530  1.00 17.28           N  
+ATOM   2229  CA  ASP C   6     -16.090  17.056  -5.440  1.00 13.65           C  
+ATOM   2230  C   ASP C   6     -16.737  17.558  -4.126  1.00 16.19           C  
+ATOM   2231  O   ASP C   6     -17.234  16.746  -3.292  1.00 18.77           O  
+ATOM   2232  CB  ASP C   6     -14.589  16.808  -5.234  1.00 14.90           C  
+ATOM   2233  CG  ASP C   6     -14.039  15.955  -6.391  1.00 15.46           C  
+ATOM   2234  OD1 ASP C   6     -14.772  14.926  -6.958  1.00 20.59           O  
+ATOM   2235  OD2 ASP C   6     -12.866  16.168  -6.605  1.00 19.80           O  
+ATOM   2236  N   LYS C   7     -16.400  18.816  -3.902  1.00 17.95           N  
+ATOM   2237  CA  LYS C   7     -17.103  19.561  -2.483  1.00 25.53           C  
+ATOM   2238  C   LYS C   7     -18.248  19.426  -2.208  1.00 19.12           C  
+ATOM   2239  O   LYS C   7     -18.931  19.046  -1.371  1.00 19.71           O  
+ATOM   2240  CB  LYS C   7     -16.318  20.793  -2.391  1.00 27.50           C  
+ATOM   2241  CG  LYS C   7     -14.901  20.741  -2.614  1.00 53.71           C  
+ATOM   2242  CD  LYS C   7     -13.993  22.186  -1.677  1.00 60.72           C  
+ATOM   2243  CE  LYS C   7     -13.186  22.490  -2.528  1.00 63.74           C  
+ATOM   2244  NZ  LYS C   7     -12.305  23.225  -2.858  1.00 80.12           N  
+ATOM   2245  N   THR C   8     -18.940  19.776  -3.501  1.00 18.59           N  
+ATOM   2246  CA  THR C   8     -20.439  19.567  -3.523  1.00 17.68           C  
+ATOM   2247  C   THR C   8     -21.010  18.410  -3.219  1.00 15.92           C  
+ATOM   2248  O   THR C   8     -21.956  18.189  -2.497  1.00 18.11           O  
+ATOM   2249  CB  THR C   8     -21.005  20.281  -5.121  1.00 18.41           C  
+ATOM   2250  OG1 THR C   8     -20.596  21.570  -4.936  1.00 22.00           O  
+ATOM   2251  CG2 THR C   8     -22.332  20.382  -5.020  1.00 19.72           C  
+ATOM   2252  N   ASN C   9     -20.389  17.337  -3.881  1.00 14.52           N  
+ATOM   2253  CA  ASN C   9     -20.679  15.854  -3.720  1.00 11.76           C  
+ATOM   2254  C   ASN C   9     -20.524  15.368  -2.372  1.00 13.43           C  
+ATOM   2255  O   ASN C   9     -21.452  14.760  -1.788  1.00 14.77           O  
+ATOM   2256  CB  ASN C   9     -19.952  14.978  -4.802  1.00 15.52           C  
+ATOM   2257  CG  ASN C   9     -20.502  14.902  -6.224  1.00 21.23           C  
+ATOM   2258  OD1 ASN C   9     -21.551  15.460  -6.366  1.00 17.78           O  
+ATOM   2259  ND2 ASN C   9     -19.655  14.764  -7.036  1.00 16.93           N  
+ATOM   2260  N   VAL C  10     -19.456  15.819  -1.845  1.00 15.37           N  
+ATOM   2261  CA  VAL C  10     -19.214  15.430  -0.511  1.00 15.09           C  
+ATOM   2262  C   VAL C  10     -20.248  16.151   0.791  1.00 19.82           C  
+ATOM   2263  O   VAL C  10     -20.653  15.344   1.499  1.00 21.55           O  
+ATOM   2264  CB  VAL C  10     -17.776  15.740  -0.056  1.00 23.83           C  
+ATOM   2265  CG1 VAL C  10     -17.369  15.319   1.491  1.00 26.38           C  
+ATOM   2266  CG2 VAL C  10     -16.835  14.843  -0.837  1.00 22.96           C  
+ATOM   2267  N   LYS C  11     -20.423  17.395   0.515  1.00 19.06           N  
+ATOM   2268  CA  LYS C  11     -21.545  18.040   1.267  1.00 21.27           C  
+ATOM   2269  C   LYS C  11     -22.705  17.621   1.194  1.00 24.36           C  
+ATOM   2270  O   LYS C  11     -23.497  17.219   2.050  1.00 26.88           O  
+ATOM   2271  CB  LYS C  11     -21.200  19.455   1.180  1.00 24.11           C  
+ATOM   2272  CG  LYS C  11     -19.982  20.187   1.471  1.00 39.96           C  
+ATOM   2273  CD  LYS C  11     -20.184  21.708   1.326  1.00 36.60           C  
+ATOM   2274  CE  LYS C  11     -19.119  22.424   1.599  1.00 40.99           C  
+ATOM   2275  NZ  LYS C  11     -18.303  23.379   0.156  1.00 57.68           N  
+ATOM   2276  N   ALA C  12     -23.071  17.255  -0.098  1.00 26.89           N  
+ATOM   2277  CA  ALA C  12     -24.190  16.574  -0.166  1.00 22.80           C  
+ATOM   2278  C   ALA C  12     -24.709  15.466   0.479  1.00 22.96           C  
+ATOM   2279  O   ALA C  12     -25.641  14.894   1.303  1.00 25.17           O  
+ATOM   2280  CB  ALA C  12     -24.758  16.354  -1.436  1.00 30.68           C  
+ATOM   2281  N   ALA C  13     -23.698  14.326   0.213  1.00 19.81           N  
+ATOM   2282  CA  ALA C  13     -23.581  12.980   0.775  1.00 20.52           C  
+ATOM   2283  C   ALA C  13     -23.620  13.074   2.219  1.00 17.10           C  
+ATOM   2284  O   ALA C  13     -24.459  12.346   2.958  1.00 22.70           O  
+ATOM   2285  CB  ALA C  13     -22.559  12.176   0.137  1.00 20.00           C  
+ATOM   2286  N   TRP C  14     -22.646  13.784   2.878  1.00 18.93           N  
+ATOM   2287  CA  TRP C  14     -22.430  13.732   4.346  1.00 19.61           C  
+ATOM   2288  C   TRP C  14     -23.567  14.473   4.894  1.00 29.50           C  
+ATOM   2289  O   TRP C  14     -24.277  14.100   6.022  1.00 22.89           O  
+ATOM   2290  CB  TRP C  14     -21.334  14.670   4.695  1.00 20.94           C  
+ATOM   2291  CG  TRP C  14     -20.803  14.092   5.924  1.00 20.44           C  
+ATOM   2292  CD1 TRP C  14     -21.097  15.028   7.151  1.00 25.06           C  
+ATOM   2293  CD2 TRP C  14     -20.135  12.848   6.216  1.00 19.23           C  
+ATOM   2294  NE1 TRP C  14     -20.337  14.117   8.027  1.00 26.03           N  
+ATOM   2295  CE2 TRP C  14     -19.941  12.969   7.773  1.00 27.20           C  
+ATOM   2296  CE3 TRP C  14     -19.861  11.878   5.555  1.00 24.26           C  
+ATOM   2297  CZ2 TRP C  14     -19.510  11.822   8.284  1.00 29.42           C  
+ATOM   2298  CZ3 TRP C  14     -19.277  10.605   6.015  1.00 27.47           C  
+ATOM   2299  CH2 TRP C  14     -19.230  10.798   7.728  1.00 31.11           C  
+ATOM   2300  N   GLY C  15     -24.359  15.298   4.516  1.00 39.26           N  
+ATOM   2301  CA  GLY C  15     -25.631  16.086   4.525  1.00 27.60           C  
+ATOM   2302  C   GLY C  15     -26.650  15.043   4.748  1.00 35.88           C  
+ATOM   2303  O   GLY C  15     -27.292  14.929   6.180  1.00 44.35           O  
+ATOM   2304  N   LYS C  16     -26.927  14.192   4.125  1.00 34.61           N  
+ATOM   2305  CA  LYS C  16     -27.870  13.141   3.632  1.00 36.98           C  
+ATOM   2306  C   LYS C  16     -27.538  12.020   5.023  1.00 26.09           C  
+ATOM   2307  O   LYS C  16     -28.345  11.313   5.635  1.00 33.01           O  
+ATOM   2308  CB  LYS C  16     -28.251  12.406   2.440  1.00 27.30           C  
+ATOM   2309  CG  LYS C  16     -30.036  12.836   1.831  1.00 50.84           C  
+ATOM   2310  CD  LYS C  16     -30.158  11.081   2.262  1.00 68.28           C  
+ATOM   2311  CE  LYS C  16     -32.371  10.866   2.370  1.00 73.16           C  
+ATOM   2312  NZ  LYS C  16     -32.038   9.453   3.272  1.00 69.52           N  
+ATOM   2313  N   VAL C  17     -26.252  12.133   5.573  1.00 35.88           N  
+ATOM   2314  CA  VAL C  17     -25.770  11.297   6.645  1.00 27.62           C  
+ATOM   2315  C   VAL C  17     -26.612  11.695   7.685  1.00 30.67           C  
+ATOM   2316  O   VAL C  17     -27.281  11.042   8.701  1.00 29.27           O  
+ATOM   2317  CB  VAL C  17     -24.169  10.853   6.795  1.00 24.84           C  
+ATOM   2318  CG1 VAL C  17     -23.946  10.589   8.064  1.00 24.66           C  
+ATOM   2319  CG2 VAL C  17     -23.794   9.916   5.483  1.00 36.95           C  
+ATOM   2320  N   GLY C  18     -26.104  13.085   7.958  1.00 37.42           N  
+ATOM   2321  CA  GLY C  18     -26.962  13.614   9.161  1.00 36.79           C  
+ATOM   2322  C   GLY C  18     -26.609  13.344  10.447  1.00 35.54           C  
+ATOM   2323  O   GLY C  18     -25.379  12.833  10.941  1.00 34.05           O  
+ATOM   2324  N   ALA C  19     -27.875  13.044  10.943  1.00 30.07           N  
+ATOM   2325  CA  ALA C  19     -27.686  12.652  12.207  1.00 42.34           C  
+ATOM   2326  C   ALA C  19     -27.441  11.246  12.497  1.00 38.75           C  
+ATOM   2327  O   ALA C  19     -27.016  10.579  13.697  1.00 34.11           O  
+ATOM   2328  CB  ALA C  19     -28.889  12.929  12.875  1.00 49.98           C  
+ATOM   2329  N   HIS C  20     -27.337  10.243  11.555  1.00 27.23           N  
+ATOM   2330  CA  HIS C  20     -26.912   8.767  11.705  1.00 31.96           C  
+ATOM   2331  C   HIS C  20     -25.296   8.716  11.689  1.00 24.34           C  
+ATOM   2332  O   HIS C  20     -24.833   7.499  11.716  1.00 23.07           O  
+ATOM   2333  CB  HIS C  20     -27.281   8.149  10.528  1.00 47.99           C  
+ATOM   2334  CG  HIS C  20     -28.926   8.104  10.076  1.00 49.70           C  
+ATOM   2335  ND1 HIS C  20     -29.432   7.280  11.405  1.00 46.00           N  
+ATOM   2336  CD2 HIS C  20     -29.730   9.020   9.630  1.00 46.72           C  
+ATOM   2337  CE1 HIS C  20     -31.098   7.852  11.111  1.00 49.28           C  
+ATOM   2338  NE2 HIS C  20     -30.830   8.671   9.800  1.00 51.94           N  
+ATOM   2339  N   ALA C  21     -24.619   9.813  11.399  1.00 28.71           N  
+ATOM   2340  CA  ALA C  21     -23.098   9.802  11.331  1.00 32.59           C  
+ATOM   2341  C   ALA C  21     -22.391   9.015  12.473  1.00 33.22           C  
+ATOM   2342  O   ALA C  21     -21.700   8.030  11.964  1.00 25.05           O  
+ATOM   2343  CB  ALA C  21     -22.805  11.312  11.238  1.00 28.99           C  
+ATOM   2344  N   GLY C  22     -22.670   8.973  13.605  1.00 30.50           N  
+ATOM   2345  CA  GLY C  22     -22.269   8.117  14.625  1.00 25.20           C  
+ATOM   2346  C   GLY C  22     -22.605   6.970  14.498  1.00 28.87           C  
+ATOM   2347  O   GLY C  22     -21.738   5.901  14.583  1.00 21.09           O  
+ATOM   2348  N   GLU C  23     -23.752   6.203  14.168  1.00 19.95           N  
+ATOM   2349  CA  GLU C  23     -24.151   4.976  13.969  1.00 21.38           C  
+ATOM   2350  C   GLU C  23     -23.181   4.329  12.723  1.00 15.02           C  
+ATOM   2351  O   GLU C  23     -22.815   3.097  12.742  1.00 16.54           O  
+ATOM   2352  CB  GLU C  23     -25.689   4.819  13.452  1.00 29.82           C  
+ATOM   2353  CG  GLU C  23     -26.106   3.452  13.736  1.00 36.93           C  
+ATOM   2354  CD  GLU C  23     -28.202   3.924  13.602  1.00 80.12           C  
+ATOM   2355  OE1 GLU C  23     -27.795   2.922  11.489  1.00 66.02           O  
+ATOM   2356  OE2 GLU C  23     -27.964   4.694  13.267  1.00 59.79           O  
+ATOM   2357  N   TYR C  24     -23.207   5.173  11.697  1.00 21.28           N  
+ATOM   2358  CA  TYR C  24     -22.418   4.812  10.585  1.00 19.46           C  
+ATOM   2359  C   TYR C  24     -20.849   4.466  10.860  1.00 15.33           C  
+ATOM   2360  O   TYR C  24     -20.148   3.754  10.360  1.00 13.77           O  
+ATOM   2361  CB  TYR C  24     -22.651   5.606   9.406  1.00 16.14           C  
+ATOM   2362  CG  TYR C  24     -24.080   5.727   8.793  1.00 13.71           C  
+ATOM   2363  CD1 TYR C  24     -24.170   6.732   7.640  1.00 24.76           C  
+ATOM   2364  CD2 TYR C  24     -25.002   4.824   9.337  1.00 21.84           C  
+ATOM   2365  CE1 TYR C  24     -25.645   6.832   7.377  1.00 25.66           C  
+ATOM   2366  CE2 TYR C  24     -26.453   4.934   8.784  1.00 17.49           C  
+ATOM   2367  CZ  TYR C  24     -26.325   5.877   7.791  1.00 27.32           C  
+ATOM   2368  OH  TYR C  24     -27.810   6.069   7.401  1.00 31.23           O  
+ATOM   2369  N   GLY C  25     -20.290   5.421  11.638  1.00 18.29           N  
+ATOM   2370  CA  GLY C  25     -19.027   5.388  12.069  1.00 15.33           C  
+ATOM   2371  C   GLY C  25     -18.807   4.272  12.918  1.00 12.64           C  
+ATOM   2372  O   GLY C  25     -17.733   3.304  12.661  1.00 15.23           O  
+ATOM   2373  N   ALA C  26     -19.542   3.599  13.820  1.00 16.00           N  
+ATOM   2374  CA  ALA C  26     -19.471   2.386  14.471  1.00 11.42           C  
+ATOM   2375  C   ALA C  26     -19.307   1.193  13.564  1.00 10.94           C  
+ATOM   2376  O   ALA C  26     -18.739   0.230  13.578  1.00 13.65           O  
+ATOM   2377  CB  ALA C  26     -20.512   2.232  15.656  1.00 11.99           C  
+ATOM   2378  N   GLU C  27     -20.425   1.260  12.521  1.00 12.87           N  
+ATOM   2379  CA  GLU C  27     -20.638   0.028  11.636  1.00 15.51           C  
+ATOM   2380  C   GLU C  27     -19.412   0.022  10.785  1.00 12.84           C  
+ATOM   2381  O   GLU C  27     -18.849  -1.119  10.534  1.00 15.95           O  
+ATOM   2382  CB  GLU C  27     -21.715   0.427  10.623  1.00 15.50           C  
+ATOM   2383  CG  GLU C  27     -21.926  -0.710   9.772  1.00 17.08           C  
+ATOM   2384  CD  GLU C  27     -23.164  -0.586   8.872  1.00 30.48           C  
+ATOM   2385  OE1 GLU C  27     -23.095  -0.770   7.588  1.00 18.71           O  
+ATOM   2386  OE2 GLU C  27     -24.194   0.119   9.312  1.00 24.16           O  
+ATOM   2387  N   ALA C  28     -18.789   1.258  10.332  1.00 11.36           N  
+ATOM   2388  CA  ALA C  28     -17.460   1.158   9.500  1.00  9.58           C  
+ATOM   2389  C   ALA C  28     -16.340   0.418  10.332  1.00  9.29           C  
+ATOM   2390  O   ALA C  28     -15.677  -0.370   9.760  1.00 12.64           O  
+ATOM   2391  CB  ALA C  28     -17.171   2.523   9.159  1.00 13.35           C  
+ATOM   2392  N   LEU C  29     -16.325   0.834  11.666  1.00 12.01           N  
+ATOM   2393  CA  LEU C  29     -15.240   0.036  12.460  1.00  9.42           C  
+ATOM   2394  C   LEU C  29     -15.351  -1.296  12.531  1.00  8.04           C  
+ATOM   2395  O   LEU C  29     -14.557  -2.221  12.462  1.00 11.27           O  
+ATOM   2396  CB  LEU C  29     -15.253   0.792  13.944  1.00 13.39           C  
+ATOM   2397  CG  LEU C  29     -14.671   2.120  14.000  1.00 14.28           C  
+ATOM   2398  CD1 LEU C  29     -15.060   2.641  15.229  1.00 21.17           C  
+ATOM   2399  CD2 LEU C  29     -13.328   2.186  13.586  1.00 17.52           C  
+ATOM   2400  N   GLU C  30     -16.582  -1.891  12.768  1.00 12.13           N  
+ATOM   2401  CA  GLU C  30     -17.039  -3.158  12.830  1.00 15.15           C  
+ATOM   2402  C   GLU C  30     -16.575  -3.834  11.597  1.00 15.74           C  
+ATOM   2403  O   GLU C  30     -16.144  -4.973  11.643  1.00 15.15           O  
+ATOM   2404  CB  GLU C  30     -18.512  -3.390  13.241  1.00 16.95           C  
+ATOM   2405  CG  GLU C  30     -18.749  -4.796  13.397  1.00 22.01           C  
+ATOM   2406  CD  GLU C  30     -20.492  -5.310  14.125  1.00 33.25           C  
+ATOM   2407  OE1 GLU C  30     -20.859  -4.170  14.215  1.00 33.78           O  
+ATOM   2408  OE2 GLU C  30     -20.298  -6.063  14.309  1.00 40.59           O  
+ATOM   2409  N   ARG C  31     -17.016  -3.172  10.500  1.00  9.68           N  
+ATOM   2410  CA  ARG C  31     -16.706  -3.791   9.173  1.00  8.70           C  
+ATOM   2411  C   ARG C  31     -15.092  -4.029   9.070  1.00 13.62           C  
+ATOM   2412  O   ARG C  31     -14.706  -5.080   8.618  1.00 13.67           O  
+ATOM   2413  CB  ARG C  31     -17.211  -2.898   8.144  1.00 12.42           C  
+ATOM   2414  CG  ARG C  31     -18.743  -3.121   7.942  1.00 11.84           C  
+ATOM   2415  CD  ARG C  31     -19.136  -2.201   6.911  1.00 15.20           C  
+ATOM   2416  NE  ARG C  31     -20.701  -2.256   6.631  1.00 14.19           N  
+ATOM   2417  CZ  ARG C  31     -21.363  -3.224   5.977  1.00 11.42           C  
+ATOM   2418  NH1 ARG C  31     -20.645  -4.259   5.462  1.00 11.92           N  
+ATOM   2419  NH2 ARG C  31     -22.607  -3.167   6.110  1.00 15.15           N  
+ATOM   2420  N   MET C  32     -14.391  -2.999   9.390  1.00 10.57           N  
+ATOM   2421  CA  MET C  32     -12.880  -2.985   9.431  1.00  8.16           C  
+ATOM   2422  C   MET C  32     -12.304  -4.106  10.303  1.00  7.80           C  
+ATOM   2423  O   MET C  32     -11.482  -4.880   9.804  1.00 11.64           O  
+ATOM   2424  CB  MET C  32     -12.387  -1.587   9.793  1.00  8.09           C  
+ATOM   2425  CG  MET C  32     -10.949  -1.623   9.744  1.00 11.10           C  
+ATOM   2426  SD  MET C  32     -10.226  -0.081  10.328  1.00 18.02           S  
+ATOM   2427  CE  MET C  32     -10.638  -0.209  12.043  1.00 20.04           C  
+ATOM   2428  N   PHE C  33     -12.802  -4.206  11.603  1.00 13.50           N  
+ATOM   2429  CA  PHE C  33     -12.271  -5.320  12.432  1.00 12.85           C  
+ATOM   2430  C   PHE C  33     -12.547  -6.578  11.951  1.00 15.05           C  
+ATOM   2431  O   PHE C  33     -11.717  -7.551  12.143  1.00 13.38           O  
+ATOM   2432  CB  PHE C  33     -12.756  -5.046  13.817  1.00 12.45           C  
+ATOM   2433  CG  PHE C  33     -12.568  -3.710  14.467  1.00 10.81           C  
+ATOM   2434  CD1 PHE C  33     -11.266  -3.320  14.428  1.00 14.60           C  
+ATOM   2435  CD2 PHE C  33     -13.526  -3.151  15.305  1.00 15.15           C  
+ATOM   2436  CE1 PHE C  33     -10.894  -2.155  15.062  1.00 15.80           C  
+ATOM   2437  CE2 PHE C  33     -13.010  -1.947  15.768  1.00 13.43           C  
+ATOM   2438  CZ  PHE C  33     -11.786  -1.494  15.661  1.00 22.23           C  
+ATOM   2439  N   LEU C  34     -13.672  -6.909  11.292  1.00 11.85           N  
+ATOM   2440  CA  LEU C  34     -14.025  -8.262  10.744  1.00 12.31           C  
+ATOM   2441  C   LEU C  34     -13.308  -8.546   9.433  1.00 15.72           C  
+ATOM   2442  O   LEU C  34     -12.814  -9.634   9.197  1.00 19.67           O  
+ATOM   2443  CB  LEU C  34     -15.490  -8.519  10.506  1.00 16.89           C  
+ATOM   2444  CG  LEU C  34     -16.308  -8.523  11.809  1.00 26.21           C  
+ATOM   2445  CD1 LEU C  34     -17.801  -8.703  11.585  1.00 26.59           C  
+ATOM   2446  CD2 LEU C  34     -15.886  -9.544  12.837  1.00 38.34           C  
+ATOM   2447  N   SER C  35     -13.287  -7.520   8.527  1.00 12.82           N  
+ATOM   2448  CA  SER C  35     -12.594  -7.794   7.329  1.00 10.93           C  
+ATOM   2449  C   SER C  35     -11.162  -7.828   7.166  1.00 14.27           C  
+ATOM   2450  O   SER C  35     -10.505  -8.327   6.376  1.00 16.71           O  
+ATOM   2451  CB  SER C  35     -13.015  -6.732   6.237  1.00 13.98           C  
+ATOM   2452  OG  SER C  35     -14.406  -6.851   5.967  1.00 18.75           O  
+ATOM   2453  N   PHE C  36     -10.441  -6.974   8.104  1.00 11.09           N  
+ATOM   2454  CA  PHE C  36      -9.024  -6.696   8.153  1.00 10.70           C  
+ATOM   2455  C   PHE C  36      -8.606  -6.742   9.707  1.00 13.97           C  
+ATOM   2456  O   PHE C  36      -8.344  -5.778  10.402  1.00 16.32           O  
+ATOM   2457  CB  PHE C  36      -8.759  -5.327   7.682  1.00 12.71           C  
+ATOM   2458  CG  PHE C  36      -9.244  -5.034   6.227  1.00 14.13           C  
+ATOM   2459  CD1 PHE C  36     -10.405  -4.227   6.071  1.00 14.98           C  
+ATOM   2460  CD2 PHE C  36      -8.716  -5.826   5.029  1.00 21.47           C  
+ATOM   2461  CE1 PHE C  36     -10.962  -3.950   4.805  1.00 23.41           C  
+ATOM   2462  CE2 PHE C  36      -9.304  -5.498   3.966  1.00 24.62           C  
+ATOM   2463  CZ  PHE C  36     -10.428  -4.612   3.839  1.00 15.55           C  
+ATOM   2464  N   PRO C  37      -8.487  -8.050   9.947  1.00 18.65           N  
+ATOM   2465  CA  PRO C  37      -8.320  -8.334  11.359  1.00 17.35           C  
+ATOM   2466  C   PRO C  37      -6.962  -7.708  12.012  1.00 18.35           C  
+ATOM   2467  O   PRO C  37      -6.854  -7.465  13.248  1.00 14.04           O  
+ATOM   2468  CB  PRO C  37      -8.349  -9.870  11.562  1.00 27.87           C  
+ATOM   2469  CG  PRO C  37      -8.429 -10.372  10.373  1.00 37.42           C  
+ATOM   2470  CD  PRO C  37      -8.767  -9.192   9.450  1.00 22.48           C  
+ATOM   2471  N   THR C  38      -6.066  -7.410  11.173  1.00 12.63           N  
+ATOM   2472  CA  THR C  38      -4.834  -6.636  11.753  1.00 17.25           C  
+ATOM   2473  C   THR C  38      -5.049  -5.478  12.414  1.00 15.32           C  
+ATOM   2474  O   THR C  38      -4.264  -5.001  13.219  1.00 11.09           O  
+ATOM   2475  CB  THR C  38      -3.639  -7.011  10.452  1.00 12.40           C  
+ATOM   2476  OG1 THR C  38      -4.178  -5.757   9.596  1.00 15.33           O  
+ATOM   2477  CG2 THR C  38      -4.507  -7.126   9.385  1.00 80.12           C  
+ATOM   2478  N   THR C  39      -6.072  -4.797  11.866  1.00 10.35           N  
+ATOM   2479  CA  THR C  39      -6.458  -3.530  12.499  1.00 11.60           C  
+ATOM   2480  C   THR C  39      -6.867  -3.675  13.987  1.00 11.25           C  
+ATOM   2481  O   THR C  39      -6.719  -2.683  14.751  1.00 15.31           O  
+ATOM   2482  CB  THR C  39      -7.618  -2.839  11.782  1.00 10.41           C  
+ATOM   2483  OG1 THR C  39      -8.902  -3.535  11.780  1.00  8.43           O  
+ATOM   2484  CG2 THR C  39      -7.110  -2.694  10.278  1.00  7.27           C  
+ATOM   2485  N   LYS C  40      -7.142  -4.800  14.416  1.00 12.10           N  
+ATOM   2486  CA  LYS C  40      -7.571  -4.948  15.946  1.00 12.37           C  
+ATOM   2487  C   LYS C  40      -6.340  -4.815  16.822  1.00 12.69           C  
+ATOM   2488  O   LYS C  40      -6.554  -4.646  17.995  1.00 13.50           O  
+ATOM   2489  CB  LYS C  40      -8.135  -6.441  16.142  1.00 13.01           C  
+ATOM   2490  CG  LYS C  40      -9.508  -6.644  15.446  1.00 16.35           C  
+ATOM   2491  CD  LYS C  40      -9.585  -8.284  15.551  1.00 21.60           C  
+ATOM   2492  CE  LYS C  40     -10.395  -8.518  15.432  1.00 41.58           C  
+ATOM   2493  NZ  LYS C  40     -10.104 -10.161  15.709  1.00 24.62           N  
+ATOM   2494  N   THR C  41      -5.213  -4.883  16.231  1.00 15.39           N  
+ATOM   2495  CA  THR C  41      -3.858  -4.878  17.048  1.00 15.24           C  
+ATOM   2496  C   THR C  41      -3.895  -3.538  17.513  1.00 24.53           C  
+ATOM   2497  O   THR C  41      -3.052  -3.276  18.625  1.00 20.94           O  
+ATOM   2498  CB  THR C  41      -2.611  -5.058  16.204  1.00 10.27           C  
+ATOM   2499  OG1 THR C  41      -2.473  -4.084  15.265  1.00 10.56           O  
+ATOM   2500  CG2 THR C  41      -2.649  -6.370  15.637  1.00 13.16           C  
+ATOM   2501  N   TYR C  42      -4.559  -2.347  17.313  1.00 15.74           N  
+ATOM   2502  CA  TYR C  42      -4.420  -1.045  17.757  1.00 10.60           C  
+ATOM   2503  C   TYR C  42      -5.479  -0.829  18.921  1.00 12.75           C  
+ATOM   2504  O   TYR C  42      -5.553   0.201  19.530  1.00 15.68           O  
+ATOM   2505  CB  TYR C  42      -4.800   0.068  16.774  1.00 16.68           C  
+ATOM   2506  CG  TYR C  42      -3.607  -0.087  15.746  1.00 10.99           C  
+ATOM   2507  CD1 TYR C  42      -2.328   0.661  16.011  1.00 17.16           C  
+ATOM   2508  CD2 TYR C  42      -3.699  -0.743  14.478  1.00 12.51           C  
+ATOM   2509  CE1 TYR C  42      -1.337   0.521  15.154  1.00 15.83           C  
+ATOM   2510  CE2 TYR C  42      -2.696  -0.758  13.617  1.00 12.91           C  
+ATOM   2511  CZ  TYR C  42      -1.386  -0.114  13.943  1.00 12.97           C  
+ATOM   2512  OH  TYR C  42      -0.401  -0.078  12.976  1.00 13.25           O  
+ATOM   2513  N   PHE C  43      -6.271  -1.850  19.113  1.00 15.49           N  
+ATOM   2514  CA  PHE C  43      -7.459  -1.760  20.167  1.00 17.75           C  
+ATOM   2515  C   PHE C  43      -7.514  -3.016  21.053  1.00 20.04           C  
+ATOM   2516  O   PHE C  43      -8.605  -3.535  21.334  1.00 17.05           O  
+ATOM   2517  CB  PHE C  43      -8.817  -1.519  19.333  1.00 26.70           C  
+ATOM   2518  CG  PHE C  43      -8.906  -0.392  18.437  1.00 14.42           C  
+ATOM   2519  CD1 PHE C  43      -8.473  -0.554  17.054  1.00 15.73           C  
+ATOM   2520  CD2 PHE C  43      -9.700   0.777  18.998  1.00 15.90           C  
+ATOM   2521  CE1 PHE C  43      -8.663   0.579  16.317  1.00 16.99           C  
+ATOM   2522  CE2 PHE C  43      -9.585   1.781  18.059  1.00 19.76           C  
+ATOM   2523  CZ  PHE C  43      -9.193   1.883  16.726  1.00 10.96           C  
+ATOM   2524  N   PRO C  44      -6.303  -3.266  21.758  1.00 17.51           N  
+ATOM   2525  CA  PRO C  44      -6.430  -4.575  22.577  1.00 22.01           C  
+ATOM   2526  C   PRO C  44      -7.021  -4.034  23.952  1.00 23.34           C  
+ATOM   2527  O   PRO C  44      -7.479  -5.004  24.549  1.00 23.67           O  
+ATOM   2528  CB  PRO C  44      -4.725  -4.600  22.823  1.00 28.76           C  
+ATOM   2529  CG  PRO C  44      -4.302  -3.265  22.722  1.00 30.00           C  
+ATOM   2530  CD  PRO C  44      -5.000  -2.496  21.564  1.00 18.17           C  
+ATOM   2531  N   HIS C  45      -7.313  -2.986  24.170  1.00 23.82           N  
+ATOM   2532  CA  HIS C  45      -8.129  -2.454  25.363  1.00 24.33           C  
+ATOM   2533  C   HIS C  45      -9.774  -2.425  25.223  1.00 36.67           C  
+ATOM   2534  O   HIS C  45     -10.201  -1.856  26.159  1.00 32.61           O  
+ATOM   2535  CB  HIS C  45      -7.724  -1.122  25.714  1.00 29.73           C  
+ATOM   2536  CG  HIS C  45      -7.512   0.207  24.830  1.00 29.43           C  
+ATOM   2537  ND1 HIS C  45      -6.904  -0.240  23.536  1.00 26.84           N  
+ATOM   2538  CD2 HIS C  45      -8.212   1.313  24.765  1.00 33.54           C  
+ATOM   2539  CE1 HIS C  45      -7.241   0.770  23.119  1.00 37.75           C  
+ATOM   2540  NE2 HIS C  45      -7.901   1.880  23.651  1.00 39.11           N  
+ATOM   2541  N   PHE C  46     -10.097  -2.588  23.981  1.00 19.71           N  
+ATOM   2542  CA  PHE C  46     -11.427  -2.447  23.784  1.00 16.71           C  
+ATOM   2543  C   PHE C  46     -11.984  -3.704  23.878  1.00 21.27           C  
+ATOM   2544  O   PHE C  46     -11.601  -4.890  23.408  1.00 23.84           O  
+ATOM   2545  CB  PHE C  46     -11.721  -1.909  22.223  1.00 21.57           C  
+ATOM   2546  CG  PHE C  46     -11.812  -0.571  22.355  1.00 17.89           C  
+ATOM   2547  CD1 PHE C  46     -12.584   0.134  21.407  1.00 29.22           C  
+ATOM   2548  CD2 PHE C  46     -11.092   0.466  22.932  1.00 29.35           C  
+ATOM   2549  CE1 PHE C  46     -12.539   1.579  21.231  1.00 23.51           C  
+ATOM   2550  CE2 PHE C  46     -11.283   1.342  22.737  1.00 34.19           C  
+ATOM   2551  CZ  PHE C  46     -11.794   2.381  21.680  1.00 30.38           C  
+ATOM   2552  N   ASP C  47     -13.484  -3.924  24.123  1.00 21.22           N  
+ATOM   2553  CA  ASP C  47     -14.200  -5.093  23.710  1.00 21.17           C  
+ATOM   2554  C   ASP C  47     -14.972  -4.945  22.231  1.00 15.44           C  
+ATOM   2555  O   ASP C  47     -15.394  -3.747  22.085  1.00 19.22           O  
+ATOM   2556  CB  ASP C  47     -15.564  -4.912  24.743  1.00 26.87           C  
+ATOM   2557  CG  ASP C  47     -16.291  -6.456  24.524  1.00 44.60           C  
+ATOM   2558  OD1 ASP C  47     -16.314  -6.539  23.491  1.00 38.14           O  
+ATOM   2559  OD2 ASP C  47     -17.247  -6.397  25.386  1.00 35.16           O  
+ATOM   2560  N   LEU C  48     -14.283  -5.744  21.445  1.00 20.23           N  
+ATOM   2561  CA  LEU C  48     -14.738  -5.455  19.945  1.00 22.13           C  
+ATOM   2562  C   LEU C  48     -15.716  -6.250  19.550  1.00 26.79           C  
+ATOM   2563  O   LEU C  48     -16.269  -6.380  18.272  1.00 28.79           O  
+ATOM   2564  CB  LEU C  48     -13.468  -5.863  19.207  1.00 20.10           C  
+ATOM   2565  CG  LEU C  48     -12.283  -5.143  19.138  1.00 22.13           C  
+ATOM   2566  CD1 LEU C  48     -10.976  -5.443  18.455  1.00 30.66           C  
+ATOM   2567  CD2 LEU C  48     -12.440  -3.412  19.024  1.00 21.27           C  
+ATOM   2568  N   SER C  49     -16.750  -6.795  20.348  1.00 29.67           N  
+ATOM   2569  CA  SER C  49     -17.996  -7.682  20.348  1.00 26.45           C  
+ATOM   2570  C   SER C  49     -18.688  -6.784  19.661  1.00 19.97           C  
+ATOM   2571  O   SER C  49     -18.950  -5.536  19.662  1.00 20.96           O  
+ATOM   2572  CB  SER C  49     -18.391  -8.577  21.574  1.00 26.72           C  
+ATOM   2573  OG  SER C  49     -18.238  -7.994  22.499  1.00 34.29           O  
+ATOM   2574  N   HIS C  50     -19.776  -7.581  18.833  1.00 28.23           N  
+ATOM   2575  CA  HIS C  50     -20.784  -6.859  18.155  1.00 26.06           C  
+ATOM   2576  C   HIS C  50     -21.742  -6.003  19.283  1.00 24.81           C  
+ATOM   2577  O   HIS C  50     -21.976  -6.730  20.143  1.00 27.33           O  
+ATOM   2578  CB  HIS C  50     -21.772  -7.860  17.171  1.00 33.58           C  
+ATOM   2579  CG  HIS C  50     -22.495  -6.997  16.501  1.00 21.75           C  
+ATOM   2580  ND1 HIS C  50     -24.098  -7.224  16.903  1.00 37.61           N  
+ATOM   2581  CD2 HIS C  50     -22.721  -6.030  15.749  1.00 24.11           C  
+ATOM   2582  CE1 HIS C  50     -24.713  -6.289  16.301  1.00 35.12           C  
+ATOM   2583  NE2 HIS C  50     -23.972  -5.305  15.362  1.00 42.35           N  
+ATOM   2584  N   GLY C  51     -21.911  -4.827  19.019  1.00 24.42           N  
+ATOM   2585  CA  GLY C  51     -22.633  -4.098  19.831  1.00 26.56           C  
+ATOM   2586  C   GLY C  51     -22.082  -3.387  20.930  1.00 23.39           C  
+ATOM   2587  O   GLY C  51     -22.536  -2.501  21.731  1.00 25.53           O  
+ATOM   2588  N   SER C  52     -20.724  -3.498  20.885  1.00 22.06           N  
+ATOM   2589  CA  SER C  52     -19.739  -2.846  21.982  1.00 25.03           C  
+ATOM   2590  C   SER C  52     -19.903  -1.593  22.193  1.00 31.37           C  
+ATOM   2591  O   SER C  52     -19.945  -0.663  21.200  1.00 22.94           O  
+ATOM   2592  CB  SER C  52     -18.376  -3.162  21.704  1.00 30.26           C  
+ATOM   2593  OG  SER C  52     -17.567  -2.497  22.631  1.00 21.66           O  
+ATOM   2594  N   ALA C  53     -20.311  -0.885  23.302  1.00 22.15           N  
+ATOM   2595  CA  ALA C  53     -20.223   0.561  23.639  1.00 29.32           C  
+ATOM   2596  C   ALA C  53     -19.008   1.341  23.195  1.00 23.50           C  
+ATOM   2597  O   ALA C  53     -19.144   2.489  22.964  1.00 19.56           O  
+ATOM   2598  CB  ALA C  53     -21.016   0.770  24.778  1.00 46.37           C  
+ATOM   2599  N   GLN C  54     -18.075   0.456  23.565  1.00 20.69           N  
+ATOM   2600  CA  GLN C  54     -16.671   1.124  23.388  1.00 22.13           C  
+ATOM   2601  C   GLN C  54     -16.498   1.625  21.724  1.00 21.00           C  
+ATOM   2602  O   GLN C  54     -15.986   2.677  21.452  1.00 19.66           O  
+ATOM   2603  CB  GLN C  54     -15.533   0.388  23.780  1.00 23.01           C  
+ATOM   2604  CG  GLN C  54     -15.387   0.264  25.146  1.00 26.98           C  
+ATOM   2605  CD  GLN C  54     -14.244  -0.704  25.751  1.00 17.64           C  
+ATOM   2606  OE1 GLN C  54     -14.213  -1.867  25.317  1.00 23.97           O  
+ATOM   2607  NE2 GLN C  54     -13.269  -0.029  26.343  1.00 35.16           N  
+ATOM   2608  N   VAL C  55     -16.998   0.495  20.976  1.00 18.58           N  
+ATOM   2609  CA  VAL C  55     -16.782   0.728  19.397  1.00 18.23           C  
+ATOM   2610  C   VAL C  55     -17.788   1.835  19.121  1.00 15.73           C  
+ATOM   2611  O   VAL C  55     -17.557   2.638  18.250  1.00 16.15           O  
+ATOM   2612  CB  VAL C  55     -17.023  -0.655  18.769  1.00 16.13           C  
+ATOM   2613  CG1 VAL C  55     -17.141  -0.282  17.289  1.00 22.56           C  
+ATOM   2614  CG2 VAL C  55     -15.953  -1.526  19.088  1.00 16.34           C  
+ATOM   2615  N   LYS C  56     -19.064   1.844  19.638  1.00 17.00           N  
+ATOM   2616  CA  LYS C  56     -20.011   2.798  19.335  1.00 18.57           C  
+ATOM   2617  C   LYS C  56     -19.657   4.015  19.595  1.00 20.36           C  
+ATOM   2618  O   LYS C  56     -19.638   5.117  18.950  1.00 20.10           O  
+ATOM   2619  CB  LYS C  56     -21.306   2.565  20.099  1.00 27.04           C  
+ATOM   2620  CG  LYS C  56     -22.017   1.239  19.517  1.00 42.35           C  
+ATOM   2621  CD  LYS C  56     -23.983   2.334  19.796  1.00 43.36           C  
+ATOM   2622  CE  LYS C  56     -24.238  -0.016  19.420  1.00 48.38           C  
+ATOM   2623  NZ  LYS C  56     -25.547   0.420  20.454  1.00 67.70           N  
+ATOM   2624  N   GLY C  57     -18.873   4.239  20.758  1.00 16.00           N  
+ATOM   2625  CA  GLY C  57     -18.397   5.432  21.231  1.00 21.54           C  
+ATOM   2626  C   GLY C  57     -17.299   6.086  20.387  1.00 18.61           C  
+ATOM   2627  O   GLY C  57     -17.174   7.416  20.069  1.00 24.59           O  
+ATOM   2628  N   HIS C  58     -16.421   5.133  20.063  1.00 15.81           N  
+ATOM   2629  CA  HIS C  58     -15.259   5.492  19.163  1.00 16.10           C  
+ATOM   2630  C   HIS C  58     -15.968   5.977  17.705  1.00 21.16           C  
+ATOM   2631  O   HIS C  58     -15.334   6.873  17.165  1.00 17.74           O  
+ATOM   2632  CB  HIS C  58     -14.298   4.450  19.037  1.00 15.43           C  
+ATOM   2633  CG  HIS C  58     -13.084   4.816  18.336  1.00 18.98           C  
+ATOM   2634  ND1 HIS C  58     -12.377   5.886  18.887  1.00 21.14           N  
+ATOM   2635  CD2 HIS C  58     -12.537   4.339  17.359  1.00 16.95           C  
+ATOM   2636  CE1 HIS C  58     -11.397   5.896  17.811  1.00 21.77           C  
+ATOM   2637  NE2 HIS C  58     -11.418   4.951  16.789  1.00 17.45           N  
+ATOM   2638  N   GLY C  59     -16.820   5.155  17.321  1.00 20.04           N  
+ATOM   2639  CA  GLY C  59     -17.341   5.505  16.148  1.00 24.32           C  
+ATOM   2640  C   GLY C  59     -18.005   6.810  15.949  1.00 16.44           C  
+ATOM   2641  O   GLY C  59     -17.768   7.655  14.926  1.00 16.63           O  
+ATOM   2642  N   LYS C  60     -18.641   7.304  17.045  1.00 14.40           N  
+ATOM   2643  CA  LYS C  60     -19.047   8.674  17.195  1.00 14.87           C  
+ATOM   2644  C   LYS C  60     -18.066   9.704  17.103  1.00 17.20           C  
+ATOM   2645  O   LYS C  60     -18.083  10.725  16.452  1.00 19.10           O  
+ATOM   2646  CB  LYS C  60     -20.090   8.722  18.417  1.00 20.14           C  
+ATOM   2647  CG  LYS C  60     -20.474  10.102  18.286  1.00 36.22           C  
+ATOM   2648  CD  LYS C  60     -21.736  10.498  19.120  1.00 67.45           C  
+ATOM   2649  CE  LYS C  60     -22.281  11.583  18.549  1.00 61.41           C  
+ATOM   2650  NZ  LYS C  60     -21.104  12.754  19.691  1.00 67.02           N  
+ATOM   2651  N   LYS C  61     -16.927   9.423  17.774  1.00 17.79           N  
+ATOM   2652  CA  LYS C  61     -15.858  10.357  17.767  1.00 21.13           C  
+ATOM   2653  C   LYS C  61     -15.164  10.595  16.162  1.00 16.24           C  
+ATOM   2654  O   LYS C  61     -14.881  11.695  15.808  1.00 15.80           O  
+ATOM   2655  CB  LYS C  61     -14.696   9.830  18.603  1.00 23.05           C  
+ATOM   2656  CG  LYS C  61     -15.062  10.074  19.860  1.00 29.48           C  
+ATOM   2657  CD  LYS C  61     -14.168   9.693  20.841  1.00 35.76           C  
+ATOM   2658  CE  LYS C  61     -14.859  10.184  22.437  1.00 58.26           C  
+ATOM   2659  NZ  LYS C  61     -13.290   9.055  22.853  1.00 59.87           N  
+ATOM   2660  N   VAL C  62     -15.053   9.278  15.522  1.00 15.31           N  
+ATOM   2661  CA  VAL C  62     -14.623   9.355  14.153  1.00 17.56           C  
+ATOM   2662  C   VAL C  62     -15.371  10.194  13.113  1.00 16.25           C  
+ATOM   2663  O   VAL C  62     -15.014  11.087  12.455  1.00 13.61           O  
+ATOM   2664  CB  VAL C  62     -14.380   7.809  13.720  1.00 18.84           C  
+ATOM   2665  CG1 VAL C  62     -14.183   7.763  12.290  1.00 17.19           C  
+ATOM   2666  CG2 VAL C  62     -13.252   7.305  14.521  1.00 18.33           C  
+ATOM   2667  N   ALA C  63     -16.701   9.866  13.495  1.00 13.67           N  
+ATOM   2668  CA  ALA C  63     -17.818  10.501  12.645  1.00 21.56           C  
+ATOM   2669  C   ALA C  63     -17.715  11.855  12.728  1.00 19.04           C  
+ATOM   2670  O   ALA C  63     -17.832  12.775  11.974  1.00 17.01           O  
+ATOM   2671  CB  ALA C  63     -19.206   9.890  12.827  1.00 17.02           C  
+ATOM   2672  N   ASP C  64     -17.653  12.417  13.991  1.00 16.51           N  
+ATOM   2673  CA  ASP C  64     -17.709  13.830  14.243  1.00 19.49           C  
+ATOM   2674  C   ASP C  64     -16.540  14.535  13.748  1.00 14.91           C  
+ATOM   2675  O   ASP C  64     -16.584  15.604  13.224  1.00 19.95           O  
+ATOM   2676  CB  ASP C  64     -17.991  14.096  15.799  1.00 24.76           C  
+ATOM   2677  CG  ASP C  64     -19.393  13.818  16.643  1.00 34.25           C  
+ATOM   2678  OD1 ASP C  64     -20.152  13.414  15.899  1.00 28.85           O  
+ATOM   2679  OD2 ASP C  64     -19.056  13.688  17.650  1.00 27.13           O  
+ATOM   2680  N   ALA C  65     -15.369  13.857  13.860  1.00 16.65           N  
+ATOM   2681  CA  ALA C  65     -14.163  14.481  13.291  1.00 16.32           C  
+ATOM   2682  C   ALA C  65     -14.252  14.735  11.694  1.00 13.95           C  
+ATOM   2683  O   ALA C  65     -13.994  15.689  11.048  1.00 16.33           O  
+ATOM   2684  CB  ALA C  65     -13.017  13.593  13.359  1.00 16.15           C  
+ATOM   2685  N   LEU C  66     -15.064  13.712  10.969  1.00 17.13           N  
+ATOM   2686  CA  LEU C  66     -15.337  13.726   9.525  1.00 13.55           C  
+ATOM   2687  C   LEU C  66     -16.272  14.810   9.233  1.00 14.32           C  
+ATOM   2688  O   LEU C  66     -16.159  15.647   8.296  1.00 15.99           O  
+ATOM   2689  CB  LEU C  66     -15.780  12.400   8.970  1.00 12.37           C  
+ATOM   2690  CG  LEU C  66     -14.557  11.353   8.900  1.00 14.22           C  
+ATOM   2691  CD1 LEU C  66     -15.162  10.177   8.798  1.00 25.53           C  
+ATOM   2692  CD2 LEU C  66     -13.636  11.641   7.894  1.00 14.43           C  
+ATOM   2693  N   THR C  67     -17.292  14.977  10.145  1.00 14.80           N  
+ATOM   2694  CA  THR C  67     -18.300  16.119   9.983  1.00 15.27           C  
+ATOM   2695  C   THR C  67     -17.479  17.374  10.100  1.00 19.15           C  
+ATOM   2696  O   THR C  67     -17.741  18.262   9.274  1.00 21.53           O  
+ATOM   2697  CB  THR C  67     -19.282  15.886  11.189  1.00 13.22           C  
+ATOM   2698  OG1 THR C  67     -20.066  14.785  10.961  1.00 17.30           O  
+ATOM   2699  CG2 THR C  67     -20.207  17.226  11.132  1.00 30.44           C  
+ATOM   2700  N   ASN C  68     -16.541  17.536  11.125  1.00 19.52           N  
+ATOM   2701  CA  ASN C  68     -15.765  18.613  11.088  1.00 21.49           C  
+ATOM   2702  C   ASN C  68     -14.901  18.833   9.858  1.00 19.25           C  
+ATOM   2703  O   ASN C  68     -14.653  20.197   9.353  1.00 22.73           O  
+ATOM   2704  CB  ASN C  68     -14.964  18.621  12.362  1.00 16.47           C  
+ATOM   2705  CG  ASN C  68     -13.974  19.880  12.584  1.00 43.34           C  
+ATOM   2706  OD1 ASN C  68     -14.128  20.746  12.326  1.00 49.22           O  
+ATOM   2707  ND2 ASN C  68     -12.524  19.654  13.058  1.00 50.67           N  
+ATOM   2708  N   ALA C  69     -14.378  17.793   9.402  1.00 16.22           N  
+ATOM   2709  CA  ALA C  69     -13.526  17.929   8.006  1.00 15.27           C  
+ATOM   2710  C   ALA C  69     -14.531  18.551   6.897  1.00 20.32           C  
+ATOM   2711  O   ALA C  69     -13.858  19.250   6.103  1.00 22.38           O  
+ATOM   2712  CB  ALA C  69     -12.891  16.615   7.759  1.00 15.52           C  
+ATOM   2713  N   VAL C  70     -15.649  17.853   6.837  1.00 18.62           N  
+ATOM   2714  CA  VAL C  70     -16.708  18.432   5.673  1.00 21.72           C  
+ATOM   2715  C   VAL C  70     -16.947  20.121   6.025  1.00 33.94           C  
+ATOM   2716  O   VAL C  70     -16.795  20.608   4.872  1.00 26.93           O  
+ATOM   2717  CB  VAL C  70     -17.884  17.598   5.765  1.00 16.50           C  
+ATOM   2718  CG1 VAL C  70     -18.759  18.120   4.709  1.00 19.06           C  
+ATOM   2719  CG2 VAL C  70     -17.623  16.139   5.358  1.00 16.14           C  
+ATOM   2720  N   ALA C  71     -17.135  20.362   6.965  1.00 27.30           N  
+ATOM   2721  CA  ALA C  71     -17.392  21.922   7.494  1.00 22.92           C  
+ATOM   2722  C   ALA C  71     -16.435  22.534   6.896  1.00 25.79           C  
+ATOM   2723  O   ALA C  71     -16.374  23.836   6.718  1.00 24.88           O  
+ATOM   2724  CB  ALA C  71     -17.865  21.980   8.684  1.00 26.73           C  
+ATOM   2725  N   HIS C  72     -15.134  22.254   6.980  1.00 25.11           N  
+ATOM   2726  CA  HIS C  72     -13.948  22.613   6.662  1.00 31.54           C  
+ATOM   2727  C   HIS C  72     -13.174  22.493   5.762  1.00 23.73           C  
+ATOM   2728  O   HIS C  72     -11.739  22.306   5.638  1.00 26.60           O  
+ATOM   2729  CB  HIS C  72     -12.834  22.798   8.133  1.00 34.18           C  
+ATOM   2730  CG  HIS C  72     -13.458  23.235   9.080  1.00 46.84           C  
+ATOM   2731  ND1 HIS C  72     -13.546  24.937   9.646  1.00 41.84           N  
+ATOM   2732  CD2 HIS C  72     -14.636  22.949  10.155  1.00 36.64           C  
+ATOM   2733  CE1 HIS C  72     -14.088  24.896  10.559  1.00 46.81           C  
+ATOM   2734  NE2 HIS C  72     -14.920  23.926  11.193  1.00 49.65           N  
+ATOM   2735  N   VAL C  73     -13.783  21.917   4.647  1.00 19.28           N  
+ATOM   2736  CA  VAL C  73     -13.123  21.287   3.673  1.00 19.45           C  
+ATOM   2737  C   VAL C  73     -11.827  22.122   2.987  1.00 29.84           C  
+ATOM   2738  O   VAL C  73     -10.987  21.361   2.509  1.00 35.51           O  
+ATOM   2739  CB  VAL C  73     -14.122  20.427   2.448  1.00 30.11           C  
+ATOM   2740  CG1 VAL C  73     -14.780  21.629   2.180  1.00 33.72           C  
+ATOM   2741  CG2 VAL C  73     -13.307  19.397   1.916  1.00 28.74           C  
+ATOM   2742  N   ASP C  74     -12.046  23.454   3.145  1.00 28.51           N  
+ATOM   2743  CA  ASP C  74     -10.850  24.295   2.500  1.00 28.33           C  
+ATOM   2744  C   ASP C  74      -9.537  24.483   3.294  1.00 41.00           C  
+ATOM   2745  O   ASP C  74      -8.999  25.130   2.953  1.00 39.68           O  
+ATOM   2746  CB  ASP C  74     -11.641  25.551   2.038  1.00 34.16           C  
+ATOM   2747  CG  ASP C  74     -12.636  25.691   1.138  1.00 52.11           C  
+ATOM   2748  OD1 ASP C  74     -12.809  24.845  -0.109  1.00 41.95           O  
+ATOM   2749  OD2 ASP C  74     -13.725  26.027   1.050  1.00 57.27           O  
+ATOM   2750  N   ASP C  75      -9.900  24.071   4.497  1.00 29.36           N  
+ATOM   2751  CA  ASP C  75      -8.638  24.283   5.628  1.00 35.73           C  
+ATOM   2752  C   ASP C  75      -9.022  23.128   6.558  1.00 33.10           C  
+ATOM   2753  O   ASP C  75      -8.649  23.257   7.697  1.00 33.04           O  
+ATOM   2754  CB  ASP C  75      -9.160  25.604   6.376  1.00 60.97           C  
+ATOM   2755  CG  ASP C  75      -8.310  26.492   7.214  1.00 66.84           C  
+ATOM   2756  OD1 ASP C  75      -7.090  26.471   6.833  1.00 48.92           O  
+ATOM   2757  OD2 ASP C  75      -9.269  26.482   8.164  1.00 62.98           O  
+ATOM   2758  N   MET C  76      -8.644  21.799   5.775  1.00 27.58           N  
+ATOM   2759  CA  MET C  76      -8.452  20.656   6.738  1.00 27.89           C  
+ATOM   2760  C   MET C  76      -7.374  20.534   7.506  1.00 27.58           C  
+ATOM   2761  O   MET C  76      -7.529  20.166   8.646  1.00 20.50           O  
+ATOM   2762  CB  MET C  76      -8.792  19.438   5.724  1.00 26.12           C  
+ATOM   2763  CG  MET C  76     -10.257  19.383   5.400  1.00 43.36           C  
+ATOM   2764  SD  MET C  76     -10.271  17.473   4.652  1.00 37.03           S  
+ATOM   2765  CE  MET C  76      -9.415  17.721   3.291  1.00 44.39           C  
+ATOM   2766  N   PRO C  77      -6.212  20.856   6.950  1.00 20.45           N  
+ATOM   2767  CA  PRO C  77      -5.120  20.876   8.013  1.00 25.45           C  
+ATOM   2768  C   PRO C  77      -5.008  21.386   9.255  1.00 36.43           C  
+ATOM   2769  O   PRO C  77      -4.686  20.931  10.357  1.00 30.57           O  
+ATOM   2770  CB  PRO C  77      -3.910  21.274   7.011  1.00 26.13           C  
+ATOM   2771  CG  PRO C  77      -4.232  21.298   5.608  1.00 24.41           C  
+ATOM   2772  CD  PRO C  77      -5.794  21.507   5.765  1.00 18.39           C  
+ATOM   2773  N   ASN C  78      -5.556  22.597   9.438  1.00 27.78           N  
+ATOM   2774  CA  ASN C  78      -6.067  23.245  10.604  1.00 53.47           C  
+ATOM   2775  C   ASN C  78      -6.714  22.831  11.450  1.00 25.06           C  
+ATOM   2776  O   ASN C  78      -6.836  22.551  12.629  1.00 27.11           O  
+ATOM   2777  CB  ASN C  78      -5.848  24.913  10.378  1.00 49.62           C  
+ATOM   2778  CG  ASN C  78      -5.937  25.817  11.891  1.00 27.09           C  
+ATOM   2779  OD1 ASN C  78      -5.094  25.489  12.673  1.00 25.78           O  
+ATOM   2780  ND2 ASN C  78      -7.164  26.163  12.327  1.00 30.98           N  
+ATOM   2781  N   ALA C  79      -8.038  22.510  10.822  1.00 21.32           N  
+ATOM   2782  CA  ALA C  79      -9.063  21.943  11.591  1.00 21.47           C  
+ATOM   2783  C   ALA C  79      -8.803  20.510  12.317  1.00 24.81           C  
+ATOM   2784  O   ALA C  79      -9.440  20.242  13.323  1.00 25.13           O  
+ATOM   2785  CB  ALA C  79     -10.333  21.459  10.764  1.00 25.42           C  
+ATOM   2786  N   LEU C  80      -8.034  19.757  11.542  1.00 14.71           N  
+ATOM   2787  CA  LEU C  80      -7.693  18.364  12.080  1.00 14.80           C  
+ATOM   2788  C   LEU C  80      -6.147  18.320  12.632  1.00 13.69           C  
+ATOM   2789  O   LEU C  80      -5.765  17.251  13.012  1.00 17.02           O  
+ATOM   2790  CB  LEU C  80      -7.618  17.425  10.975  1.00 23.31           C  
+ATOM   2791  CG  LEU C  80      -9.017  17.241  10.096  1.00 28.90           C  
+ATOM   2792  CD1 LEU C  80      -8.888  16.179   9.066  1.00 22.59           C  
+ATOM   2793  CD2 LEU C  80      -9.912  16.862  11.126  1.00 28.24           C  
+ATOM   2794  N   SER C  81      -5.642  19.595  13.022  1.00 15.20           N  
+ATOM   2795  CA  SER C  81      -4.176  19.598  13.532  1.00 16.69           C  
+ATOM   2796  C   SER C  81      -4.082  18.751  14.821  1.00 15.66           C  
+ATOM   2797  O   SER C  81      -3.121  18.036  14.913  1.00 18.30           O  
+ATOM   2798  CB  SER C  81      -4.200  21.212  13.927  1.00 20.04           C  
+ATOM   2799  OG  SER C  81      -2.662  21.194  13.956  1.00 27.86           O  
+ATOM   2800  N   ALA C  82      -4.975  18.951  15.740  1.00 16.14           N  
+ATOM   2801  CA  ALA C  82      -4.666  18.152  16.940  1.00 27.63           C  
+ATOM   2802  C   ALA C  82      -4.666  16.766  16.844  1.00 26.48           C  
+ATOM   2803  O   ALA C  82      -4.201  15.804  17.443  1.00 22.53           O  
+ATOM   2804  CB  ALA C  82      -5.631  18.625  18.033  1.00 26.01           C  
+ATOM   2805  N   LEU C  83      -5.794  16.171  15.738  1.00 16.69           N  
+ATOM   2806  CA  LEU C  83      -5.833  14.767  15.713  1.00 11.24           C  
+ATOM   2807  C   LEU C  83      -4.721  14.342  14.699  1.00 14.18           C  
+ATOM   2808  O   LEU C  83      -4.218  13.107  15.018  1.00 18.82           O  
+ATOM   2809  CB  LEU C  83      -7.049  14.621  14.641  1.00 19.57           C  
+ATOM   2810  CG  LEU C  83      -8.323  14.343  15.598  1.00 31.08           C  
+ATOM   2811  CD1 LEU C  83      -9.453  13.945  14.510  1.00 37.56           C  
+ATOM   2812  CD2 LEU C  83      -8.174  13.408  16.783  1.00 31.25           C  
+ATOM   2813  N   SER C  84      -4.154  15.133  13.918  1.00 17.80           N  
+ATOM   2814  CA  SER C  84      -2.888  14.776  13.267  1.00 16.31           C  
+ATOM   2815  C   SER C  84      -1.740  14.590  14.181  1.00 16.72           C  
+ATOM   2816  O   SER C  84      -0.882  13.728  14.196  1.00 20.08           O  
+ATOM   2817  CB  SER C  84      -1.928  15.701  12.069  1.00 25.74           C  
+ATOM   2818  OG  SER C  84      -2.988  16.059  11.690  1.00 36.74           O  
+ATOM   2819  N   ASP C  85      -1.671  15.596  15.245  1.00 14.56           N  
+ATOM   2820  CA  ASP C  85      -0.682  15.299  16.354  1.00 16.51           C  
+ATOM   2821  C   ASP C  85      -0.794  14.103  17.109  1.00 12.46           C  
+ATOM   2822  O   ASP C  85       0.064  13.405  17.411  1.00 15.88           O  
+ATOM   2823  CB  ASP C  85      -0.758  16.459  17.195  1.00 24.70           C  
+ATOM   2824  CG  ASP C  85      -0.167  17.721  16.629  1.00 34.11           C  
+ATOM   2825  OD1 ASP C  85       0.446  17.900  15.796  1.00 25.15           O  
+ATOM   2826  OD2 ASP C  85      -0.625  18.754  17.406  1.00 33.76           O  
+ATOM   2827  N   LEU C  86      -2.190  13.771  17.337  1.00 12.70           N  
+ATOM   2828  CA  LEU C  86      -2.467  12.693  18.111  1.00 16.53           C  
+ATOM   2829  C   LEU C  86      -2.015  11.303  17.695  1.00 14.13           C  
+ATOM   2830  O   LEU C  86      -1.425  10.432  18.116  1.00 17.79           O  
+ATOM   2831  CB  LEU C  86      -3.980  12.638  18.447  1.00 18.93           C  
+ATOM   2832  CG  LEU C  86      -4.506  11.657  19.521  1.00 29.36           C  
+ATOM   2833  CD1 LEU C  86      -3.802  11.791  20.879  1.00 25.18           C  
+ATOM   2834  CD2 LEU C  86      -5.938  11.585  19.602  1.00 37.62           C  
+ATOM   2835  N   HIS C  87      -2.350  11.290  16.308  1.00 15.64           N  
+ATOM   2836  CA  HIS C  87      -2.196   9.988  15.684  1.00 15.27           C  
+ATOM   2837  C   HIS C  87      -0.432   9.776  15.294  1.00 11.96           C  
+ATOM   2838  O   HIS C  87      -0.010   8.655  15.509  1.00 15.54           O  
+ATOM   2839  CB  HIS C  87      -2.877   9.761  14.248  1.00 15.31           C  
+ATOM   2840  CG  HIS C  87      -4.370   9.569  14.496  1.00 12.16           C  
+ATOM   2841  ND1 HIS C  87      -5.204  10.514  14.931  1.00 15.96           N  
+ATOM   2842  CD2 HIS C  87      -5.162   8.339  14.571  1.00 14.58           C  
+ATOM   2843  CE1 HIS C  87      -6.508   9.921  15.132  1.00 13.46           C  
+ATOM   2844  NE2 HIS C  87      -6.403   8.796  14.850  1.00 17.27           N  
+ATOM   2845  N   ALA C  88       0.106  11.030  15.024  1.00 14.25           N  
+ATOM   2846  CA  ALA C  88       1.440  11.027  14.747  1.00 15.37           C  
+ATOM   2847  C   ALA C  88       2.402  10.439  15.994  1.00 19.72           C  
+ATOM   2848  O   ALA C  88       3.419   9.888  15.742  1.00 18.60           O  
+ATOM   2849  CB  ALA C  88       2.009  12.263  14.095  1.00 17.41           C  
+ATOM   2850  N   HIS C  89       2.139  11.270  17.065  1.00 17.52           N  
+ATOM   2851  CA  HIS C  89       2.856  11.246  18.393  1.00 20.01           C  
+ATOM   2852  C   HIS C  89       2.445  10.295  19.376  1.00 19.52           C  
+ATOM   2853  O   HIS C  89       3.400   9.856  20.127  1.00 22.69           O  
+ATOM   2854  CB  HIS C  89       3.204  12.750  18.766  1.00 26.82           C  
+ATOM   2855  CG  HIS C  89       3.898  13.462  17.550  1.00 23.76           C  
+ATOM   2856  ND1 HIS C  89       5.028  13.110  16.879  1.00 28.14           N  
+ATOM   2857  CD2 HIS C  89       3.344  14.574  17.213  1.00 25.55           C  
+ATOM   2858  CE1 HIS C  89       4.845  14.030  16.064  1.00 32.36           C  
+ATOM   2859  NE2 HIS C  89       4.173  15.010  16.064  1.00 29.26           N  
+ATOM   2860  N   LYS C  90       1.340   9.800  19.443  1.00 16.72           N  
+ATOM   2861  CA  LYS C  90       0.718   9.223  20.440  1.00 20.32           C  
+ATOM   2862  C   LYS C  90       0.299   7.707  20.002  1.00 20.91           C  
+ATOM   2863  O   LYS C  90       0.862   6.631  20.320  1.00 23.22           O  
+ATOM   2864  CB  LYS C  90      -0.138   9.844  21.447  1.00 20.81           C  
+ATOM   2865  CG  LYS C  90      -0.560   8.580  22.285  1.00 29.14           C  
+ATOM   2866  CD  LYS C  90      -1.751   9.734  23.205  1.00 67.74           C  
+ATOM   2867  CE  LYS C  90      -1.793   8.441  24.607  1.00 66.29           C  
+ATOM   2868  NZ  LYS C  90      -1.676  10.047  25.898  1.00 56.99           N  
+ATOM   2869  N   LEU C  91      -0.852   7.689  19.140  1.00 13.37           N  
+ATOM   2870  CA  LEU C  91      -1.388   6.384  18.683  1.00 10.47           C  
+ATOM   2871  C   LEU C  91      -0.395   5.670  17.757  1.00 15.87           C  
+ATOM   2872  O   LEU C  91      -0.337   4.504  17.810  1.00 17.45           O  
+ATOM   2873  CB  LEU C  91      -2.734   6.916  18.060  1.00 11.80           C  
+ATOM   2874  CG  LEU C  91      -3.503   7.677  18.936  1.00 14.59           C  
+ATOM   2875  CD1 LEU C  91      -4.817   8.063  18.135  1.00 18.31           C  
+ATOM   2876  CD2 LEU C  91      -3.927   6.656  20.006  1.00 19.42           C  
+ATOM   2877  N   ARG C  92       0.163   6.386  16.757  1.00 17.30           N  
+ATOM   2878  CA  ARG C  92       1.225   5.888  15.973  1.00 16.69           C  
+ATOM   2879  C   ARG C  92       0.801   4.590  15.144  1.00 18.80           C  
+ATOM   2880  O   ARG C  92       1.289   3.690  14.985  1.00 19.26           O  
+ATOM   2881  CB  ARG C  92       2.462   5.556  16.835  1.00 13.64           C  
+ATOM   2882  CG  ARG C  92       3.207   6.871  17.042  1.00 14.42           C  
+ATOM   2883  CD  ARG C  92       4.320   6.680  18.089  1.00 27.16           C  
+ATOM   2884  NE  ARG C  92       4.955   7.507  17.826  1.00 44.94           N  
+ATOM   2885  CZ  ARG C  92       5.808   6.749  20.563  1.00 38.22           C  
+ATOM   2886  NH1 ARG C  92       4.053   6.376  21.084  1.00 33.94           N  
+ATOM   2887  NH2 ARG C  92       6.026   7.349  19.817  1.00 48.21           N  
+ATOM   2888  N   VAL C  93      -0.511   4.844  14.546  1.00 13.36           N  
+ATOM   2889  CA  VAL C  93      -1.122   3.790  13.672  1.00 14.31           C  
+ATOM   2890  C   VAL C  93      -0.425   3.861  12.310  1.00 12.63           C  
+ATOM   2891  O   VAL C  93      -0.266   4.875  11.618  1.00 14.78           O  
+ATOM   2892  CB  VAL C  93      -2.622   4.322  13.422  1.00  8.72           C  
+ATOM   2893  CG1 VAL C  93      -3.298   3.413  12.409  1.00 14.83           C  
+ATOM   2894  CG2 VAL C  93      -3.256   4.402  14.761  1.00 15.34           C  
+ATOM   2895  N   ASP C  94      -0.069   2.672  11.865  1.00 14.84           N  
+ATOM   2896  CA  ASP C  94       0.516   2.634  10.645  1.00 17.19           C  
+ATOM   2897  C   ASP C  94      -0.337   3.187   9.492  1.00 13.94           C  
+ATOM   2898  O   ASP C  94      -1.496   2.844   9.436  1.00 13.55           O  
+ATOM   2899  CB  ASP C  94       1.001   1.175  10.166  1.00 19.19           C  
+ATOM   2900  CG  ASP C  94       2.066   1.114   9.015  1.00 25.98           C  
+ATOM   2901  OD1 ASP C  94       3.132   1.101   9.167  1.00 23.44           O  
+ATOM   2902  OD2 ASP C  94       1.457   1.246   7.818  1.00 20.10           O  
+ATOM   2903  N   PRO C  95       0.336   3.997   8.656  1.00 13.43           N  
+ATOM   2904  CA  PRO C  95      -0.533   4.680   7.482  1.00 16.10           C  
+ATOM   2905  C   PRO C  95      -1.120   3.788   6.667  1.00 11.12           C  
+ATOM   2906  O   PRO C  95      -2.331   4.229   6.243  1.00 14.55           O  
+ATOM   2907  CB  PRO C  95       0.512   5.399   6.750  1.00 19.09           C  
+ATOM   2908  CG  PRO C  95       1.437   5.610   7.677  1.00 18.28           C  
+ATOM   2909  CD  PRO C  95       1.704   4.489   8.616  1.00 15.64           C  
+ATOM   2910  N   VAL C  96      -0.975   2.426   6.418  1.00 15.60           N  
+ATOM   2911  CA  VAL C  96      -1.688   1.553   5.597  1.00 13.24           C  
+ATOM   2912  C   VAL C  96      -3.093   1.373   6.108  1.00 11.50           C  
+ATOM   2913  O   VAL C  96      -4.125   1.168   5.337  1.00 13.19           O  
+ATOM   2914  CB  VAL C  96      -0.963   0.166   5.595  1.00 20.64           C  
+ATOM   2915  CG1 VAL C  96       0.380   0.545   5.130  1.00 37.75           C  
+ATOM   2916  CG2 VAL C  96      -0.986  -0.723   6.614  1.00 28.85           C  
+ATOM   2917  N   ASN C  97      -3.362   1.525   7.446  1.00  9.54           N  
+ATOM   2918  CA  ASN C  97      -4.626   1.297   7.971  1.00 11.68           C  
+ATOM   2919  C   ASN C  97      -5.641   2.261   7.562  1.00  9.63           C  
+ATOM   2920  O   ASN C  97      -6.898   1.950   7.745  1.00  9.95           O  
+ATOM   2921  CB  ASN C  97      -4.431   1.174   9.336  1.00 13.42           C  
+ATOM   2922  CG  ASN C  97      -3.599  -0.084   9.836  1.00 14.06           C  
+ATOM   2923  OD1 ASN C  97      -3.997  -1.327   9.652  1.00  8.45           O  
+ATOM   2924  ND2 ASN C  97      -2.374   0.157  10.197  1.00 18.92           N  
+ATOM   2925  N   PHE C  98      -5.236   3.438   7.306  1.00 11.20           N  
+ATOM   2926  CA  PHE C  98      -6.082   4.528   6.931  1.00 10.00           C  
+ATOM   2927  C   PHE C  98      -6.998   4.116   5.628  1.00 12.29           C  
+ATOM   2928  O   PHE C  98      -8.203   4.405   5.580  1.00 11.85           O  
+ATOM   2929  CB  PHE C  98      -5.520   5.917   6.784  1.00 11.84           C  
+ATOM   2930  CG  PHE C  98      -4.966   6.392   8.161  1.00 10.85           C  
+ATOM   2931  CD1 PHE C  98      -5.796   7.234   8.908  1.00 20.50           C  
+ATOM   2932  CD2 PHE C  98      -3.900   5.913   8.688  1.00 15.66           C  
+ATOM   2933  CE1 PHE C  98      -5.555   7.714  10.141  1.00 25.62           C  
+ATOM   2934  CE2 PHE C  98      -3.735   6.528  10.021  1.00 23.17           C  
+ATOM   2935  CZ  PHE C  98      -4.378   7.442  10.790  1.00 16.17           C  
+ATOM   2936  N   LYS C  99      -6.268   3.417   4.783  1.00 12.40           N  
+ATOM   2937  CA  LYS C  99      -6.999   2.958   3.593  1.00 16.89           C  
+ATOM   2938  C   LYS C  99      -8.208   2.150   3.790  1.00 16.36           C  
+ATOM   2939  O   LYS C  99      -9.081   1.954   3.131  1.00 12.00           O  
+ATOM   2940  CB  LYS C  99      -5.965   2.519   2.404  1.00 37.75           C  
+ATOM   2941  CG  LYS C  99      -5.634   1.867   2.299  1.00 60.42           C  
+ATOM   2942  CD  LYS C  99      -4.523   1.328   0.960  1.00 80.12           C  
+ATOM   2943  CE  LYS C  99      -5.145  -0.811   1.345  1.00 54.41           C  
+ATOM   2944  NZ  LYS C  99      -4.072  -1.896   0.975  1.00 73.17           N  
+ATOM   2945  N   LEU C 100      -7.771   1.248   4.812  1.00 11.58           N  
+ATOM   2946  CA  LEU C 100      -8.668   0.083   5.298  1.00 10.08           C  
+ATOM   2947  C   LEU C 100      -9.923   0.739   5.824  1.00 15.81           C  
+ATOM   2948  O   LEU C 100     -11.033   0.328   5.495  1.00 12.64           O  
+ATOM   2949  CB  LEU C 100      -7.919  -0.962   6.095  1.00 11.52           C  
+ATOM   2950  CG  LEU C 100      -6.700  -1.456   5.659  1.00 12.29           C  
+ATOM   2951  CD1 LEU C 100      -6.140  -2.487   6.602  1.00 13.43           C  
+ATOM   2952  CD2 LEU C 100      -6.937  -2.037   4.366  1.00 20.82           C  
+ATOM   2953  N   LEU C 101      -9.764   1.698   6.763  1.00  9.97           N  
+ATOM   2954  CA  LEU C 101     -10.983   2.177   7.355  1.00 11.48           C  
+ATOM   2955  C   LEU C 101     -11.756   3.062   6.216  1.00 15.63           C  
+ATOM   2956  O   LEU C 101     -12.976   2.978   6.299  1.00 14.14           O  
+ATOM   2957  CB  LEU C 101     -10.599   3.208   8.498  1.00 14.89           C  
+ATOM   2958  CG  LEU C 101     -11.670   3.902   9.072  1.00 22.22           C  
+ATOM   2959  CD1 LEU C 101     -12.818   2.883   9.487  1.00 22.49           C  
+ATOM   2960  CD2 LEU C 101     -11.241   4.642  10.285  1.00 23.89           C  
+ATOM   2961  N   SER C 102     -11.033   3.737   5.313  1.00 13.80           N  
+ATOM   2962  CA  SER C 102     -11.714   4.605   4.376  1.00  7.27           C  
+ATOM   2963  C   SER C 102     -12.532   3.565   3.508  1.00  8.13           C  
+ATOM   2964  O   SER C 102     -13.716   4.048   3.196  1.00 14.48           O  
+ATOM   2965  CB  SER C 102     -10.627   5.223   3.513  1.00 12.53           C  
+ATOM   2966  OG  SER C 102      -9.908   6.246   4.205  1.00 16.99           O  
+ATOM   2967  N   HIS C 103     -12.013   2.448   3.076  1.00  9.47           N  
+ATOM   2968  CA  HIS C 103     -12.856   1.553   2.231  1.00  7.87           C  
+ATOM   2969  C   HIS C 103     -13.969   1.179   3.005  1.00  9.96           C  
+ATOM   2970  O   HIS C 103     -15.145   1.064   2.463  1.00 11.06           O  
+ATOM   2971  CB  HIS C 103     -12.045   0.334   2.007  1.00 13.28           C  
+ATOM   2972  CG  HIS C 103     -12.687  -0.723   1.251  1.00 12.69           C  
+ATOM   2973  ND1 HIS C 103     -12.940  -2.084   2.021  1.00 13.59           N  
+ATOM   2974  CD2 HIS C 103     -13.286  -0.768   0.111  1.00 11.80           C  
+ATOM   2975  CE1 HIS C 103     -13.607  -2.702   0.895  1.00 18.03           C  
+ATOM   2976  NE2 HIS C 103     -13.846  -2.052  -0.281  1.00 12.75           N  
+ATOM   2977  N   CYS C 104     -13.956   0.809   4.281  1.00 11.32           N  
+ATOM   2978  CA  CYS C 104     -15.102   0.402   5.220  1.00 10.36           C  
+ATOM   2979  C   CYS C 104     -16.128   1.576   5.312  1.00 10.40           C  
+ATOM   2980  O   CYS C 104     -17.326   1.230   5.408  1.00 13.45           O  
+ATOM   2981  CB  CYS C 104     -14.679  -0.210   6.511  1.00 10.60           C  
+ATOM   2982  SG  CYS C 104     -13.758  -1.766   6.256  1.00 14.84           S  
+ATOM   2983  N   LEU C 105     -15.610   2.759   5.400  1.00  7.19           N  
+ATOM   2984  CA  LEU C 105     -16.550   3.718   5.401  1.00  7.94           C  
+ATOM   2985  C   LEU C 105     -17.308   3.811   4.064  1.00 12.20           C  
+ATOM   2986  O   LEU C 105     -18.557   4.127   4.121  1.00 10.34           O  
+ATOM   2987  CB  LEU C 105     -15.878   5.040   5.656  1.00 21.49           C  
+ATOM   2988  CG  LEU C 105     -16.527   6.202   6.207  1.00 44.61           C  
+ATOM   2989  CD1 LEU C 105     -16.548   5.934   7.976  1.00 29.90           C  
+ATOM   2990  CD2 LEU C 105     -14.638   7.055   6.645  1.00 67.41           C  
+ATOM   2991  N   LEU C 106     -16.563   3.801   3.055  1.00 12.01           N  
+ATOM   2992  CA  LEU C 106     -17.399   3.653   1.720  1.00 11.59           C  
+ATOM   2993  C   LEU C 106     -18.331   2.701   1.716  1.00 13.18           C  
+ATOM   2994  O   LEU C 106     -19.445   3.007   1.174  1.00 13.67           O  
+ATOM   2995  CB  LEU C 106     -16.393   3.784   0.463  1.00 15.01           C  
+ATOM   2996  CG  LEU C 106     -15.665   4.920   0.043  1.00 26.98           C  
+ATOM   2997  CD1 LEU C 106     -14.786   4.477  -0.938  1.00 27.15           C  
+ATOM   2998  CD2 LEU C 106     -16.427   6.222  -0.197  1.00 28.82           C  
+ATOM   2999  N   VAL C 107     -18.135   1.497   2.015  1.00  9.69           N  
+ATOM   3000  CA  VAL C 107     -18.836   0.268   2.127  1.00 13.59           C  
+ATOM   3001  C   VAL C 107     -20.197   0.605   2.883  1.00 17.84           C  
+ATOM   3002  O   VAL C 107     -21.451   0.519   2.577  1.00 16.17           O  
+ATOM   3003  CB  VAL C 107     -18.247  -1.024   2.534  1.00  6.66           C  
+ATOM   3004  CG1 VAL C 107     -19.313  -1.975   2.757  1.00 10.41           C  
+ATOM   3005  CG2 VAL C 107     -17.243  -1.377   1.493  1.00  9.95           C  
+ATOM   3006  N   THR C 108     -20.022   1.317   4.069  1.00 12.50           N  
+ATOM   3007  CA  THR C 108     -21.156   1.586   4.961  1.00 12.00           C  
+ATOM   3008  C   THR C 108     -22.004   2.672   4.235  1.00  8.53           C  
+ATOM   3009  O   THR C 108     -23.266   2.600   4.430  1.00 13.95           O  
+ATOM   3010  CB  THR C 108     -20.489   2.175   6.313  1.00 10.15           C  
+ATOM   3011  OG1 THR C 108     -19.618   1.211   6.782  1.00 10.65           O  
+ATOM   3012  CG2 THR C 108     -21.574   2.581   7.303  1.00  9.30           C  
+ATOM   3013  N   LEU C 109     -21.432   3.696   3.675  1.00  9.01           N  
+ATOM   3014  CA  LEU C 109     -22.256   4.765   2.941  1.00  9.31           C  
+ATOM   3015  C   LEU C 109     -23.120   4.001   2.078  1.00 15.85           C  
+ATOM   3016  O   LEU C 109     -24.157   4.405   1.752  1.00 14.26           O  
+ATOM   3017  CB  LEU C 109     -21.296   5.848   2.566  1.00 11.02           C  
+ATOM   3018  CG  LEU C 109     -20.716   6.843   3.619  1.00 19.91           C  
+ATOM   3019  CD1 LEU C 109     -19.558   7.677   2.954  1.00 29.96           C  
+ATOM   3020  CD2 LEU C 109     -21.630   7.225   4.484  1.00 27.29           C  
+ATOM   3021  N   ALA C 110     -22.355   3.185   1.097  1.00 14.51           N  
+ATOM   3022  CA  ALA C 110     -22.975   2.438  -0.100  1.00 13.69           C  
+ATOM   3023  C   ALA C 110     -24.179   1.916   0.467  1.00 24.66           C  
+ATOM   3024  O   ALA C 110     -25.339   1.691  -0.205  1.00 18.31           O  
+ATOM   3025  CB  ALA C 110     -21.958   1.541  -0.721  1.00 13.14           C  
+ATOM   3026  N   ALA C 111     -24.108   1.069   1.636  1.00 17.30           N  
+ATOM   3027  CA  ALA C 111     -25.131   0.205   2.227  1.00 14.98           C  
+ATOM   3028  C   ALA C 111     -26.406   1.141   2.649  1.00 17.59           C  
+ATOM   3029  O   ALA C 111     -27.374   0.392   2.964  1.00 18.70           O  
+ATOM   3030  CB  ALA C 111     -24.528  -0.603   3.334  1.00 14.01           C  
+ATOM   3031  N   HIS C 112     -26.145   2.311   3.092  1.00 17.57           N  
+ATOM   3032  CA  HIS C 112     -27.157   3.218   3.684  1.00 17.81           C  
+ATOM   3033  C   HIS C 112     -27.592   4.143   2.662  1.00 23.35           C  
+ATOM   3034  O   HIS C 112     -28.643   4.846   3.027  1.00 25.70           O  
+ATOM   3035  CB  HIS C 112     -26.632   3.907   4.985  1.00 19.09           C  
+ATOM   3036  CG  HIS C 112     -26.731   2.953   5.878  1.00 25.33           C  
+ATOM   3037  ND1 HIS C 112     -25.315   2.095   6.535  1.00 35.05           N  
+ATOM   3038  CD2 HIS C 112     -27.507   2.446   6.914  1.00 26.57           C  
+ATOM   3039  CE1 HIS C 112     -25.696   1.397   7.484  1.00 18.65           C  
+ATOM   3040  NE2 HIS C 112     -27.041   1.550   7.786  1.00 32.92           N  
+ATOM   3041  N   LEU C 113     -27.112   4.669   1.736  1.00 23.20           N  
+ATOM   3042  CA  LEU C 113     -27.336   5.646   0.694  1.00 19.73           C  
+ATOM   3043  C   LEU C 113     -27.527   4.917  -0.780  1.00 24.44           C  
+ATOM   3044  O   LEU C 113     -26.931   5.709  -1.436  1.00 27.49           O  
+ATOM   3045  CB  LEU C 113     -26.346   6.534   0.722  1.00 30.36           C  
+ATOM   3046  CG  LEU C 113     -26.291   7.305   1.871  1.00 29.78           C  
+ATOM   3047  CD1 LEU C 113     -24.949   8.197   1.187  1.00 35.69           C  
+ATOM   3048  CD2 LEU C 113     -27.165   7.743   2.593  1.00 47.79           C  
+ATOM   3049  N   PRO C 114     -28.533   4.269  -1.071  1.00 23.63           N  
+ATOM   3050  CA  PRO C 114     -28.972   3.222  -2.364  1.00 26.62           C  
+ATOM   3051  C   PRO C 114     -29.185   4.694  -3.555  1.00 35.32           C  
+ATOM   3052  O   PRO C 114     -28.033   5.030  -4.238  1.00 38.93           O  
+ATOM   3053  CB  PRO C 114     -29.692   2.344  -1.692  1.00 32.82           C  
+ATOM   3054  CG  PRO C 114     -30.705   3.466  -1.031  1.00 48.45           C  
+ATOM   3055  CD  PRO C 114     -29.572   3.964   0.093  1.00 44.41           C  
+ATOM   3056  N   ALA C 115     -29.614   5.816  -3.110  1.00 34.13           N  
+ATOM   3057  CA  ALA C 115     -29.733   6.788  -3.943  1.00 25.13           C  
+ATOM   3058  C   ALA C 115     -28.814   7.547  -4.176  1.00 23.70           C  
+ATOM   3059  O   ALA C 115     -28.484   8.189  -5.293  1.00 28.59           O  
+ATOM   3060  CB  ALA C 115     -31.178   7.688  -4.040  1.00 49.66           C  
+ATOM   3061  N   GLU C 116     -27.955   7.979  -3.256  1.00 19.87           N  
+ATOM   3062  CA  GLU C 116     -26.996   9.192  -3.337  1.00 15.46           C  
+ATOM   3063  C   GLU C 116     -25.546   8.615  -3.591  1.00 17.63           C  
+ATOM   3064  O   GLU C 116     -24.903   9.456  -4.305  1.00 21.65           O  
+ATOM   3065  CB  GLU C 116     -26.603   9.453  -1.769  1.00 24.21           C  
+ATOM   3066  CG  GLU C 116     -28.465   8.862  -0.493  1.00 64.07           C  
+ATOM   3067  CD  GLU C 116     -28.940  10.160  -0.964  1.00 64.09           C  
+ATOM   3068  OE1 GLU C 116     -28.783  10.922  -1.780  1.00 59.54           O  
+ATOM   3069  OE2 GLU C 116     -30.228   9.634  -0.550  1.00 58.51           O  
+ATOM   3070  N   PHE C 117     -25.343   7.424  -3.452  1.00 18.06           N  
+ATOM   3071  CA  PHE C 117     -24.055   6.750  -3.919  1.00 15.96           C  
+ATOM   3072  C   PHE C 117     -23.837   6.451  -5.366  1.00 17.62           C  
+ATOM   3073  O   PHE C 117     -23.697   5.333  -5.682  1.00 20.40           O  
+ATOM   3074  CB  PHE C 117     -23.795   5.597  -3.019  1.00 11.69           C  
+ATOM   3075  CG  PHE C 117     -22.482   5.073  -2.755  1.00 15.94           C  
+ATOM   3076  CD1 PHE C 117     -21.516   5.939  -2.024  1.00 20.23           C  
+ATOM   3077  CD2 PHE C 117     -21.879   3.939  -3.352  1.00 18.29           C  
+ATOM   3078  CE1 PHE C 117     -20.010   5.429  -1.856  1.00 21.74           C  
+ATOM   3079  CE2 PHE C 117     -20.499   3.543  -3.388  1.00 15.69           C  
+ATOM   3080  CZ  PHE C 117     -19.734   4.357  -2.542  1.00 19.08           C  
+ATOM   3081  N   THR C 118     -23.888   7.554  -6.187  1.00 16.36           N  
+ATOM   3082  CA  THR C 118     -23.750   7.200  -7.579  1.00 24.73           C  
+ATOM   3083  C   THR C 118     -22.162   7.085  -7.979  1.00 20.24           C  
+ATOM   3084  O   THR C 118     -21.404   7.258  -6.938  1.00 17.57           O  
+ATOM   3085  CB  THR C 118     -23.989   8.809  -8.229  1.00 24.50           C  
+ATOM   3086  OG1 THR C 118     -25.423   9.053  -8.024  1.00 43.24           O  
+ATOM   3087  CG2 THR C 118     -23.399   9.727  -8.021  1.00 20.86           C  
+ATOM   3088  N   PRO C 119     -21.965   6.771  -8.980  1.00 16.01           N  
+ATOM   3089  CA  PRO C 119     -20.523   6.700  -9.434  1.00 19.05           C  
+ATOM   3090  C   PRO C 119     -19.780   7.932  -9.012  1.00 19.72           C  
+ATOM   3091  O   PRO C 119     -18.600   7.893  -8.606  1.00 14.74           O  
+ATOM   3092  CB  PRO C 119     -20.464   6.235 -10.815  1.00 21.12           C  
+ATOM   3093  CG  PRO C 119     -21.872   5.425 -11.078  1.00 19.58           C  
+ATOM   3094  CD  PRO C 119     -22.940   6.131 -10.122  1.00 19.86           C  
+ATOM   3095  N   ALA C 120     -20.252   9.094  -9.502  1.00 19.86           N  
+ATOM   3096  CA  ALA C 120     -19.548  10.276  -9.334  1.00 18.74           C  
+ATOM   3097  C   ALA C 120     -19.388  10.637  -7.832  1.00 10.87           C  
+ATOM   3098  O   ALA C 120     -18.248  11.251  -7.450  1.00 14.38           O  
+ATOM   3099  CB  ALA C 120     -20.260  11.491  -9.979  1.00 23.51           C  
+ATOM   3100  N   VAL C 121     -20.385  10.350  -7.040  1.00 15.38           N  
+ATOM   3101  CA  VAL C 121     -20.425  10.526  -5.562  1.00 17.86           C  
+ATOM   3102  C   VAL C 121     -19.282   9.640  -4.960  1.00 13.56           C  
+ATOM   3103  O   VAL C 121     -18.551  10.181  -4.182  1.00 14.98           O  
+ATOM   3104  CB  VAL C 121     -21.712  10.598  -4.961  1.00 16.82           C  
+ATOM   3105  CG1 VAL C 121     -21.586  10.574  -3.474  1.00 15.23           C  
+ATOM   3106  CG2 VAL C 121     -22.399  11.837  -5.508  1.00 18.21           C  
+ATOM   3107  N   HIS C 122     -19.274   8.429  -5.423  1.00 13.62           N  
+ATOM   3108  CA  HIS C 122     -18.258   7.352  -4.974  1.00 13.41           C  
+ATOM   3109  C   HIS C 122     -16.927   7.953  -5.183  1.00 19.70           C  
+ATOM   3110  O   HIS C 122     -16.069   7.929  -4.270  1.00 15.94           O  
+ATOM   3111  CB  HIS C 122     -18.661   6.175  -5.608  1.00 13.44           C  
+ATOM   3112  CG  HIS C 122     -17.896   4.996  -5.506  1.00 11.42           C  
+ATOM   3113  ND1 HIS C 122     -18.152   3.694  -5.975  1.00 16.43           N  
+ATOM   3114  CD2 HIS C 122     -16.677   4.952  -4.678  1.00 17.04           C  
+ATOM   3115  CE1 HIS C 122     -17.175   2.906  -5.621  1.00 20.17           C  
+ATOM   3116  NE2 HIS C 122     -16.333   3.490  -4.734  1.00 16.87           N  
+ATOM   3117  N   ALA C 123     -16.663   8.527  -6.359  1.00 13.94           N  
+ATOM   3118  CA  ALA C 123     -15.263   8.979  -6.644  1.00 17.63           C  
+ATOM   3119  C   ALA C 123     -14.878  10.124  -5.801  1.00 15.63           C  
+ATOM   3120  O   ALA C 123     -13.855  10.169  -5.195  1.00 16.32           O  
+ATOM   3121  CB  ALA C 123     -15.304   9.355  -8.200  1.00 21.15           C  
+ATOM   3122  N   SER C 124     -15.845  11.044  -5.588  1.00 11.75           N  
+ATOM   3123  CA  SER C 124     -15.443  12.245  -4.719  1.00 15.01           C  
+ATOM   3124  C   SER C 124     -15.332  11.744  -3.177  1.00 15.67           C  
+ATOM   3125  O   SER C 124     -14.471  12.374  -2.655  1.00 13.45           O  
+ATOM   3126  CB  SER C 124     -16.754  13.206  -4.754  1.00 14.78           C  
+ATOM   3127  OG  SER C 124     -17.033  13.770  -6.107  1.00 17.64           O  
+ATOM   3128  N   LEU C 125     -16.158  10.923  -2.823  1.00 10.43           N  
+ATOM   3129  CA  LEU C 125     -15.983  10.431  -1.427  1.00 12.66           C  
+ATOM   3130  C   LEU C 125     -14.705   9.708  -1.135  1.00 12.01           C  
+ATOM   3131  O   LEU C 125     -13.873   9.973  -0.196  1.00 10.58           O  
+ATOM   3132  CB  LEU C 125     -17.093   9.515  -1.060  1.00 10.32           C  
+ATOM   3133  CG  LEU C 125     -18.393  10.264  -0.600  1.00 16.01           C  
+ATOM   3134  CD1 LEU C 125     -19.493   9.231  -0.642  1.00 21.31           C  
+ATOM   3135  CD2 LEU C 125     -18.244  11.194   0.645  1.00 19.17           C  
+ATOM   3136  N   ASP C 126     -14.179   8.973  -2.132  1.00 15.23           N  
+ATOM   3137  CA  ASP C 126     -12.896   8.220  -2.060  1.00 15.01           C  
+ATOM   3138  C   ASP C 126     -11.877   9.262  -2.029  1.00 17.34           C  
+ATOM   3139  O   ASP C 126     -10.873   9.161  -1.311  1.00 17.16           O  
+ATOM   3140  CB  ASP C 126     -12.829   7.258  -3.164  1.00 14.23           C  
+ATOM   3141  CG  ASP C 126     -11.630   6.072  -2.962  1.00 15.33           C  
+ATOM   3142  OD1 ASP C 126     -11.594   5.816  -1.849  1.00 21.18           O  
+ATOM   3143  OD2 ASP C 126     -10.723   6.195  -3.670  1.00 18.49           O  
+ATOM   3144  N   LYS C 127     -11.889  10.369  -2.865  1.00 10.51           N  
+ATOM   3145  CA  LYS C 127     -10.843  11.346  -2.937  1.00  9.26           C  
+ATOM   3146  C   LYS C 127     -10.985  12.090  -1.550  1.00 10.60           C  
+ATOM   3147  O   LYS C 127      -9.736  12.501  -1.011  1.00 13.38           O  
+ATOM   3148  CB  LYS C 127     -11.128  12.473  -4.012  1.00 12.57           C  
+ATOM   3149  CG  LYS C 127     -10.837  11.844  -5.259  1.00 21.03           C  
+ATOM   3150  CD  LYS C 127     -11.084  12.905  -6.433  1.00 27.03           C  
+ATOM   3151  CE  LYS C 127     -10.200  14.180  -6.287  1.00 36.89           C  
+ATOM   3152  NZ  LYS C 127     -10.401  15.128  -7.495  1.00 25.75           N  
+ATOM   3153  N   PHE C 128     -12.089  12.351  -1.096  1.00 12.44           N  
+ATOM   3154  CA  PHE C 128     -12.150  13.112   0.060  1.00 14.73           C  
+ATOM   3155  C   PHE C 128     -11.573  12.159   1.379  1.00 19.70           C  
+ATOM   3156  O   PHE C 128     -10.742  12.890   2.141  1.00 15.58           O  
+ATOM   3157  CB  PHE C 128     -13.559  13.504   0.502  1.00 11.17           C  
+ATOM   3158  CG  PHE C 128     -13.873  13.981   2.080  1.00 11.86           C  
+ATOM   3159  CD1 PHE C 128     -13.416  15.303   2.300  1.00 15.77           C  
+ATOM   3160  CD2 PHE C 128     -14.468  13.060   2.611  1.00 23.89           C  
+ATOM   3161  CE1 PHE C 128     -13.803  15.496   3.630  1.00 14.00           C  
+ATOM   3162  CE2 PHE C 128     -14.618  13.544   4.103  1.00 26.48           C  
+ATOM   3163  CZ  PHE C 128     -14.347  14.715   4.443  1.00 15.47           C  
+ATOM   3164  N   LEU C 129     -11.958  10.929   1.410  1.00 14.00           N  
+ATOM   3165  CA  LEU C 129     -11.373  10.116   2.580  1.00 13.04           C  
+ATOM   3166  C   LEU C 129      -9.834   9.957   2.377  1.00 17.30           C  
+ATOM   3167  O   LEU C 129      -8.955  10.001   3.360  1.00 14.75           O  
+ATOM   3168  CB  LEU C 129     -11.850   8.796   2.608  1.00 12.12           C  
+ATOM   3169  CG  LEU C 129     -13.240   8.898   3.000  1.00 20.92           C  
+ATOM   3170  CD1 LEU C 129     -14.044   7.674   2.880  1.00 26.64           C  
+ATOM   3171  CD2 LEU C 129     -13.522   9.300   4.355  1.00 35.02           C  
+ATOM   3172  N   ALA C 130      -9.238   9.941   1.192  1.00 16.20           N  
+ATOM   3173  CA  ALA C 130      -7.860  10.006   0.893  1.00 14.56           C  
+ATOM   3174  C   ALA C 130      -7.216  11.214   1.438  1.00 19.27           C  
+ATOM   3175  O   ALA C 130      -5.982  11.322   1.999  1.00 14.14           O  
+ATOM   3176  CB  ALA C 130      -7.442   9.870  -0.423  1.00 17.10           C  
+ATOM   3177  N   SER C 131      -7.839  12.284   1.109  1.00 18.74           N  
+ATOM   3178  CA  SER C 131      -7.158  13.685   1.577  1.00 19.45           C  
+ATOM   3179  C   SER C 131      -7.424  13.831   3.307  1.00 14.53           C  
+ATOM   3180  O   SER C 131      -6.317  14.261   3.681  1.00 12.58           O  
+ATOM   3181  CB  SER C 131      -8.220  14.954   1.086  1.00 22.90           C  
+ATOM   3182  OG  SER C 131      -8.002  14.782  -0.395  1.00 37.64           O  
+ATOM   3183  N   VAL C 132      -8.436  13.257   3.800  1.00 12.03           N  
+ATOM   3184  CA  VAL C 132      -8.508  13.199   5.238  1.00 13.41           C  
+ATOM   3185  C   VAL C 132      -7.272  12.425   5.809  1.00 19.42           C  
+ATOM   3186  O   VAL C 132      -6.491  12.809   6.794  1.00 14.00           O  
+ATOM   3187  CB  VAL C 132      -9.726  12.697   5.713  1.00 15.91           C  
+ATOM   3188  CG1 VAL C 132      -9.619  12.379   7.255  1.00 17.14           C  
+ATOM   3189  CG2 VAL C 132     -11.022  13.817   5.553  1.00 19.41           C  
+ATOM   3190  N   SER C 133      -7.133  11.157   5.180  1.00 14.01           N  
+ATOM   3191  CA  SER C 133      -6.066  10.266   5.421  1.00 13.12           C  
+ATOM   3192  C   SER C 133      -4.733  10.965   5.281  1.00 21.83           C  
+ATOM   3193  O   SER C 133      -3.772  10.686   6.325  1.00 18.12           O  
+ATOM   3194  CB  SER C 133      -5.938   8.996   4.603  1.00 13.61           C  
+ATOM   3195  OG  SER C 133      -7.161   8.346   5.111  1.00 18.98           O  
+ATOM   3196  N   THR C 134      -4.427  11.617   4.350  1.00 17.53           N  
+ATOM   3197  CA  THR C 134      -3.144  12.409   4.136  1.00 15.95           C  
+ATOM   3198  C   THR C 134      -2.914  13.473   5.177  1.00 16.97           C  
+ATOM   3199  O   THR C 134      -1.750  13.477   5.831  1.00 20.39           O  
+ATOM   3200  CB  THR C 134      -3.269  13.086   2.683  1.00 18.28           C  
+ATOM   3201  OG1 THR C 134      -3.148  12.134   1.784  1.00 22.72           O  
+ATOM   3202  CG2 THR C 134      -2.059  13.978   2.401  1.00 22.70           C  
+ATOM   3203  N   VAL C 135      -3.965  14.094   5.504  1.00 15.13           N  
+ATOM   3204  CA  VAL C 135      -3.754  15.191   6.579  1.00 16.51           C  
+ATOM   3205  C   VAL C 135      -3.260  14.323   7.873  1.00 16.40           C  
+ATOM   3206  O   VAL C 135      -2.487  14.902   8.617  1.00 15.94           O  
+ATOM   3207  CB  VAL C 135      -5.059  16.100   6.780  1.00 18.21           C  
+ATOM   3208  CG1 VAL C 135      -5.021  16.981   8.022  1.00 17.40           C  
+ATOM   3209  CG2 VAL C 135      -5.230  16.888   5.569  1.00 19.71           C  
+ATOM   3210  N   LEU C 136      -4.222  13.312   8.307  1.00 12.10           N  
+ATOM   3211  CA  LEU C 136      -4.023  12.675   9.630  1.00 15.98           C  
+ATOM   3212  C   LEU C 136      -2.564  12.099   9.666  1.00 16.04           C  
+ATOM   3213  O   LEU C 136      -2.112  11.725  10.867  1.00 16.42           O  
+ATOM   3214  CB  LEU C 136      -5.060  11.690   9.725  1.00 16.86           C  
+ATOM   3215  CG  LEU C 136      -6.464  12.340   9.949  1.00 24.99           C  
+ATOM   3216  CD1 LEU C 136      -7.273  11.133  10.442  1.00 18.69           C  
+ATOM   3217  CD2 LEU C 136      -6.479  13.221  11.104  1.00 43.05           C  
+ATOM   3218  N   THR C 137      -1.948  11.875   8.493  1.00 14.30           N  
+ATOM   3219  CA  THR C 137      -0.644  11.078   8.570  1.00 16.72           C  
+ATOM   3220  C   THR C 137       0.600  12.250   8.229  1.00 20.27           C  
+ATOM   3221  O   THR C 137       1.641  11.779   8.219  1.00 19.99           O  
+ATOM   3222  CB  THR C 137      -0.616   9.898   7.452  1.00 21.82           C  
+ATOM   3223  OG1 THR C 137      -0.747  10.397   6.348  1.00 20.00           O  
+ATOM   3224  CG2 THR C 137      -1.429   8.802   8.131  1.00 20.00           C  
+ATOM   3225  N   SER C 138       0.217  13.432   7.965  1.00 21.45           N  
+ATOM   3226  CA  SER C 138       1.195  14.450   7.576  1.00 24.00           C  
+ATOM   3227  C   SER C 138       2.427  14.664   8.641  1.00 26.98           C  
+ATOM   3228  O   SER C 138       3.195  15.345   8.032  1.00 21.99           O  
+ATOM   3229  CB  SER C 138       0.001  16.139   8.122  1.00 21.69           C  
+ATOM   3230  OG  SER C 138       0.377  15.823   6.927  1.00 42.20           O  
+ATOM   3231  N   LYS C 139       2.133  14.403   9.912  1.00 22.73           N  
+ATOM   3232  CA  LYS C 139       3.191  14.934  10.883  1.00 27.59           C  
+ATOM   3233  C   LYS C 139       3.975  13.581  11.372  1.00 19.22           C  
+ATOM   3234  O   LYS C 139       4.646  13.643  12.389  1.00 14.35           O  
+ATOM   3235  CB  LYS C 139       2.358  15.487  11.974  1.00 19.55           C  
+ATOM   3236  CG  LYS C 139       2.071  17.001  11.340  1.00 22.79           C  
+ATOM   3237  CD  LYS C 139       1.307  17.445  12.283  1.00 42.21           C  
+ATOM   3238  CE  LYS C 139       1.086  19.324  11.798  1.00 36.26           C  
+ATOM   3239  NZ  LYS C 139      -0.244  18.940  13.010  1.00 30.87           N  
+ATOM   3240  N   TYR C 140       3.750  12.465  10.738  1.00 18.17           N  
+ATOM   3241  CA  TYR C 140       4.409  11.291  11.242  1.00 17.49           C  
+ATOM   3242  C   TYR C 140       5.879  11.300  11.241  1.00 19.10           C  
+ATOM   3243  O   TYR C 140       6.366  10.507  12.197  1.00 22.35           O  
+ATOM   3244  CB  TYR C 140       3.865  10.055  10.357  1.00 16.87           C  
+ATOM   3245  CG  TYR C 140       2.674   9.300  10.891  1.00 12.61           C  
+ATOM   3246  CD1 TYR C 140       2.521   8.093  11.003  1.00 19.13           C  
+ATOM   3247  CD2 TYR C 140       1.410  10.025  11.225  1.00 16.63           C  
+ATOM   3248  CE1 TYR C 140       1.365   7.496  11.459  1.00 21.26           C  
+ATOM   3249  CE2 TYR C 140       0.269   9.420  11.748  1.00 17.45           C  
+ATOM   3250  CZ  TYR C 140       0.153   8.203  11.775  1.00 14.84           C  
+ATOM   3251  OH  TYR C 140      -0.838   7.429  12.277  1.00 15.53           O  
+ATOM   3252  N   ARG C 141       6.450  11.994  10.246  1.00 20.34           N  
+ATOM   3253  CA  ARG C 141       7.886  11.986  10.168  1.00 25.59           C  
+ATOM   3254  C   ARG C 141       8.484  13.451   9.626  1.00 21.46           C  
+ATOM   3255  O   ARG C 141       7.587  13.891   9.012  1.00 24.60           O  
+ATOM   3256  CB  ARG C 141       8.511  10.698   9.627  1.00 27.67           C  
+ATOM   3257  CG  ARG C 141       8.124  10.586   8.132  1.00 20.44           C  
+ATOM   3258  CD  ARG C 141       8.972   9.192   7.851  1.00 27.35           C  
+ATOM   3259  NE  ARG C 141       8.521   8.970   6.409  1.00 21.57           N  
+ATOM   3260  CZ  ARG C 141       9.349   8.234   5.557  1.00 17.72           C  
+ATOM   3261  NH1 ARG C 141      10.182   7.400   5.980  1.00 16.11           N  
+ATOM   3262  NH2 ARG C 141       8.583   8.168   4.338  1.00 19.55           N  
+ATOM   3263  OXT ARG C 141       9.695  13.488   9.645  1.00 22.97           O  
+TER    3264      ARG C 141                                                      
+ATOM   3265  N   VAL D   1      -8.916 -20.986  -1.208  1.00 44.53           N  
+ATOM   3266  CA  VAL D   1      -8.728 -19.973   0.230  1.00 40.54           C  
+ATOM   3267  C   VAL D   1      -9.597 -21.119   1.649  1.00 54.57           C  
+ATOM   3268  O   VAL D   1     -10.511 -21.747   0.927  1.00 46.03           O  
+ATOM   3269  CB  VAL D   1      -9.741 -18.620   0.365  1.00 59.62           C  
+ATOM   3270  CG1 VAL D   1      -8.976 -17.356  -0.533  1.00 56.25           C  
+ATOM   3271  CG2 VAL D   1     -10.766 -18.689  -0.199  1.00 44.49           C  
+ATOM   3272  N   HIS D   2      -9.359 -20.204   2.359  1.00 54.55           N  
+ATOM   3273  CA  HIS D   2     -10.028 -20.478   3.617  1.00 76.16           C  
+ATOM   3274  C   HIS D   2     -11.503 -19.997   4.189  1.00 40.79           C  
+ATOM   3275  O   HIS D   2     -10.949 -18.900   5.117  1.00 42.23           O  
+ATOM   3276  CB  HIS D   2      -8.550 -21.746   4.671  1.00 61.25           C  
+ATOM   3277  CG  HIS D   2      -9.111 -22.384   5.289  1.00 73.35           C  
+ATOM   3278  ND1 HIS D   2      -9.292 -20.744   7.139  1.00 63.32           N  
+ATOM   3279  CD2 HIS D   2     -10.298 -23.586   6.052  1.00 68.03           C  
+ATOM   3280  CE1 HIS D   2     -10.663 -21.227   8.362  1.00 55.48           C  
+ATOM   3281  NE2 HIS D   2     -10.906 -22.743   7.235  1.00 54.14           N  
+ATOM   3282  N   LEU D   3     -12.538 -20.903   4.013  1.00 31.51           N  
+ATOM   3283  CA  LEU D   3     -13.638 -20.047   4.223  1.00 32.74           C  
+ATOM   3284  C   LEU D   3     -13.624 -20.741   5.723  1.00 43.55           C  
+ATOM   3285  O   LEU D   3     -14.592 -22.168   5.344  1.00 38.09           O  
+ATOM   3286  CB  LEU D   3     -14.958 -19.886   3.451  1.00 39.97           C  
+ATOM   3287  CG  LEU D   3     -14.306 -18.748   2.457  1.00 33.25           C  
+ATOM   3288  CD1 LEU D   3     -15.545 -18.399   1.653  1.00 35.36           C  
+ATOM   3289  CD2 LEU D   3     -14.311 -17.477   2.906  1.00 43.98           C  
+ATOM   3290  N   THR D   4     -14.873 -20.575   6.573  1.00 40.52           N  
+ATOM   3291  CA  THR D   4     -15.571 -21.118   7.446  1.00 35.01           C  
+ATOM   3292  C   THR D   4     -16.965 -21.835   7.057  1.00 36.50           C  
+ATOM   3293  O   THR D   4     -17.217 -21.032   5.924  1.00 26.93           O  
+ATOM   3294  CB  THR D   4     -15.866 -20.187   8.979  1.00 42.32           C  
+ATOM   3295  OG1 THR D   4     -16.874 -19.360   8.569  1.00 35.61           O  
+ATOM   3296  CG2 THR D   4     -14.805 -19.826   9.491  1.00 41.74           C  
+ATOM   3297  N   PRO D   5     -17.421 -22.638   7.348  1.00 38.01           N  
+ATOM   3298  CA  PRO D   5     -18.819 -22.801   6.165  1.00 45.26           C  
+ATOM   3299  C   PRO D   5     -19.967 -21.905   6.477  1.00 40.88           C  
+ATOM   3300  O   PRO D   5     -20.833 -21.591   5.783  1.00 35.71           O  
+ATOM   3301  CB  PRO D   5     -19.489 -24.074   7.971  1.00 80.12           C  
+ATOM   3302  CG  PRO D   5     -18.622 -24.429   8.450  1.00 36.53           C  
+ATOM   3303  CD  PRO D   5     -17.099 -23.867   8.283  1.00 38.83           C  
+ATOM   3304  N   GLU D   6     -19.807 -20.993   7.524  1.00 38.95           N  
+ATOM   3305  CA  GLU D   6     -20.826 -20.251   7.892  1.00 54.36           C  
+ATOM   3306  C   GLU D   6     -20.257 -18.491   6.516  1.00 29.53           C  
+ATOM   3307  O   GLU D   6     -21.186 -18.231   6.189  1.00 34.33           O  
+ATOM   3308  CB  GLU D   6     -20.808 -19.128   9.200  1.00 67.37           C  
+ATOM   3309  CG  GLU D   6     -20.143 -19.295   9.841  1.00 68.32           C  
+ATOM   3310  CD  GLU D   6     -19.833 -20.908  10.929  1.00 80.07           C  
+ATOM   3311  OE1 GLU D   6     -19.263 -21.552  10.554  1.00 62.33           O  
+ATOM   3312  OE2 GLU D   6     -17.422 -20.947   9.979  1.00 75.27           O  
+ATOM   3313  N   GLU D   7     -19.046 -18.647   6.494  1.00 32.30           N  
+ATOM   3314  CA  GLU D   7     -18.571 -17.615   5.450  1.00 26.92           C  
+ATOM   3315  C   GLU D   7     -19.016 -18.399   3.955  1.00 36.61           C  
+ATOM   3316  O   GLU D   7     -19.572 -17.530   3.297  1.00 31.61           O  
+ATOM   3317  CB  GLU D   7     -17.035 -17.606   5.380  1.00 22.74           C  
+ATOM   3318  CG  GLU D   7     -16.644 -16.558   6.886  1.00 25.68           C  
+ATOM   3319  CD  GLU D   7     -15.325 -16.832   6.956  1.00 21.07           C  
+ATOM   3320  OE1 GLU D   7     -14.977 -15.445   7.269  1.00 41.17           O  
+ATOM   3321  OE2 GLU D   7     -14.302 -17.526   6.337  1.00 26.19           O  
+ATOM   3322  N   LYS D   8     -18.754 -19.547   3.890  1.00 24.35           N  
+ATOM   3323  CA  LYS D   8     -19.098 -20.158   2.364  1.00 27.18           C  
+ATOM   3324  C   LYS D   8     -20.384 -20.203   2.052  1.00 23.43           C  
+ATOM   3325  O   LYS D   8     -21.074 -19.662   1.178  1.00 23.08           O  
+ATOM   3326  CB  LYS D   8     -18.527 -21.857   2.829  1.00 28.41           C  
+ATOM   3327  CG  LYS D   8     -18.698 -21.991   1.053  1.00 48.31           C  
+ATOM   3328  CD  LYS D   8     -18.147 -23.072   0.880  1.00 69.34           C  
+ATOM   3329  CE  LYS D   8     -18.957 -23.705  -0.872  1.00 38.29           C  
+ATOM   3330  NZ  LYS D   8     -17.931 -25.269  -1.374  1.00 72.55           N  
+ATOM   3331  N   SER D   9     -21.307 -20.301   3.110  1.00 21.45           N  
+ATOM   3332  CA  SER D   9     -22.632 -20.010   2.800  1.00 23.49           C  
+ATOM   3333  C   SER D   9     -23.050 -18.608   2.651  1.00 32.73           C  
+ATOM   3334  O   SER D   9     -24.111 -18.558   1.973  1.00 27.24           O  
+ATOM   3335  CB  SER D   9     -23.425 -20.879   3.815  1.00 48.80           C  
+ATOM   3336  OG  SER D   9     -24.248 -20.636   4.597  1.00 54.12           O  
+ATOM   3337  N   ALA D  10     -22.340 -17.847   3.521  1.00 26.97           N  
+ATOM   3338  CA  ALA D  10     -23.067 -16.421   3.397  1.00 27.01           C  
+ATOM   3339  C   ALA D  10     -22.551 -15.974   1.781  1.00 23.29           C  
+ATOM   3340  O   ALA D  10     -23.475 -15.280   1.185  1.00 20.87           O  
+ATOM   3341  CB  ALA D  10     -22.056 -15.660   3.934  1.00 28.42           C  
+ATOM   3342  N   VAL D  11     -21.472 -16.449   1.276  1.00 31.33           N  
+ATOM   3343  CA  VAL D  11     -21.016 -15.993  -0.163  1.00 25.10           C  
+ATOM   3344  C   VAL D  11     -21.923 -16.557  -1.184  1.00 18.64           C  
+ATOM   3345  O   VAL D  11     -22.347 -15.774  -1.949  1.00 19.73           O  
+ATOM   3346  CB  VAL D  11     -19.580 -16.599  -0.312  1.00 18.52           C  
+ATOM   3347  CG1 VAL D  11     -19.332 -16.430  -1.555  1.00 28.45           C  
+ATOM   3348  CG2 VAL D  11     -18.563 -15.544   0.540  1.00 21.05           C  
+ATOM   3349  N   THR D  12     -22.095 -17.881  -0.865  1.00 19.99           N  
+ATOM   3350  CA  THR D  12     -23.012 -18.659  -2.043  1.00 26.25           C  
+ATOM   3351  C   THR D  12     -24.298 -18.196  -1.973  1.00 24.29           C  
+ATOM   3352  O   THR D  12     -25.087 -17.804  -3.054  1.00 26.52           O  
+ATOM   3353  CB  THR D  12     -23.024 -20.432  -1.285  1.00 24.72           C  
+ATOM   3354  OG1 THR D  12     -21.642 -20.629  -1.920  1.00 32.38           O  
+ATOM   3355  CG2 THR D  12     -24.127 -20.769  -2.067  1.00 56.05           C  
+ATOM   3356  N   ALA D  13     -24.939 -17.863  -0.966  1.00 25.46           N  
+ATOM   3357  CA  ALA D  13     -26.249 -17.368  -0.697  1.00 25.21           C  
+ATOM   3358  C   ALA D  13     -26.716 -16.016  -1.505  1.00 24.39           C  
+ATOM   3359  O   ALA D  13     -27.502 -15.783  -2.239  1.00 27.12           O  
+ATOM   3360  CB  ALA D  13     -26.840 -17.284   0.237  1.00 40.91           C  
+ATOM   3361  N   LEU D  14     -25.588 -15.038  -1.202  1.00 21.51           N  
+ATOM   3362  CA  LEU D  14     -25.805 -13.895  -1.844  1.00 19.28           C  
+ATOM   3363  C   LEU D  14     -25.557 -13.900  -3.355  1.00 20.58           C  
+ATOM   3364  O   LEU D  14     -26.325 -13.141  -4.012  1.00 19.87           O  
+ATOM   3365  CB  LEU D  14     -24.748 -12.802  -1.037  1.00 18.39           C  
+ATOM   3366  CG  LEU D  14     -24.944 -11.344  -1.539  1.00 32.12           C  
+ATOM   3367  CD1 LEU D  14     -25.966 -10.962  -0.374  1.00 41.26           C  
+ATOM   3368  CD2 LEU D  14     -23.927 -10.587  -1.223  1.00 34.27           C  
+ATOM   3369  N   TRP D  15     -24.663 -14.787  -3.692  1.00 16.79           N  
+ATOM   3370  CA  TRP D  15     -24.253 -14.609  -5.178  1.00 13.47           C  
+ATOM   3371  C   TRP D  15     -25.414 -15.354  -5.958  1.00 22.23           C  
+ATOM   3372  O   TRP D  15     -25.691 -14.922  -7.051  1.00 22.75           O  
+ATOM   3373  CB  TRP D  15     -23.003 -15.504  -5.278  1.00 17.27           C  
+ATOM   3374  CG  TRP D  15     -22.390 -15.264  -6.607  1.00 18.39           C  
+ATOM   3375  CD1 TRP D  15     -22.417 -16.024  -7.714  1.00 29.85           C  
+ATOM   3376  CD2 TRP D  15     -21.683 -13.937  -6.966  1.00 19.14           C  
+ATOM   3377  NE1 TRP D  15     -21.775 -15.472  -8.770  1.00 25.67           N  
+ATOM   3378  CE2 TRP D  15     -21.205 -14.132  -8.458  1.00 18.90           C  
+ATOM   3379  CE3 TRP D  15     -21.251 -12.883  -6.227  1.00 24.35           C  
+ATOM   3380  CZ2 TRP D  15     -20.568 -13.098  -9.104  1.00 22.83           C  
+ATOM   3381  CZ3 TRP D  15     -20.364 -11.928  -6.894  1.00 24.62           C  
+ATOM   3382  CH2 TRP D  15     -20.127 -12.198  -8.397  1.00 30.44           C  
+ATOM   3383  N   GLY D  16     -26.279 -16.244  -5.358  1.00 23.06           N  
+ATOM   3384  CA  GLY D  16     -27.474 -16.657  -6.225  1.00 23.16           C  
+ATOM   3385  C   GLY D  16     -28.300 -15.570  -6.485  1.00 26.54           C  
+ATOM   3386  O   GLY D  16     -29.203 -15.791  -7.472  1.00 26.11           O  
+ATOM   3387  N   LYS D  17     -28.475 -14.360  -5.980  1.00 18.84           N  
+ATOM   3388  CA  LYS D  17     -29.272 -13.270  -5.974  1.00 24.96           C  
+ATOM   3389  C   LYS D  17     -29.000 -12.271  -6.961  1.00 22.00           C  
+ATOM   3390  O   LYS D  17     -29.037 -11.079  -7.508  1.00 24.63           O  
+ATOM   3391  CB  LYS D  17     -29.587 -12.449  -4.588  1.00 28.33           C  
+ATOM   3392  CG  LYS D  17     -30.108 -13.362  -3.795  1.00 27.71           C  
+ATOM   3393  CD  LYS D  17     -30.415 -12.422  -2.822  1.00 33.37           C  
+ATOM   3394  CE  LYS D  17     -30.390 -12.386  -1.399  1.00 43.68           C  
+ATOM   3395  NZ  LYS D  17     -31.873 -11.072  -1.369  1.00 36.22           N  
+ATOM   3396  N   VAL D  18     -27.474 -12.385  -7.448  1.00 33.39           N  
+ATOM   3397  CA  VAL D  18     -26.489 -11.309  -8.320  1.00 24.51           C  
+ATOM   3398  C   VAL D  18     -27.096 -11.570  -9.917  1.00 27.24           C  
+ATOM   3399  O   VAL D  18     -26.940 -12.785 -10.011  1.00 26.54           O  
+ATOM   3400  CB  VAL D  18     -25.245 -11.428  -8.185  1.00 31.98           C  
+ATOM   3401  CG1 VAL D  18     -24.320 -10.896  -8.917  1.00 31.25           C  
+ATOM   3402  CG2 VAL D  18     -24.647 -11.020  -6.542  1.00 22.12           C  
+ATOM   3403  N   ASN D  19     -27.428 -10.545 -10.401  1.00 25.81           N  
+ATOM   3404  CA  ASN D  19     -27.299 -10.403 -11.802  1.00 27.55           C  
+ATOM   3405  C   ASN D  19     -26.159 -10.452 -12.333  1.00 24.31           C  
+ATOM   3406  O   ASN D  19     -25.632  -9.111 -12.336  1.00 20.67           O  
+ATOM   3407  CB  ASN D  19     -28.399  -9.524 -12.285  1.00 40.49           C  
+ATOM   3408  CG  ASN D  19     -28.856 -10.175 -13.808  1.00 44.62           C  
+ATOM   3409  OD1 ASN D  19     -27.731  -9.601 -14.786  1.00 45.68           O  
+ATOM   3410  ND2 ASN D  19     -29.658  -8.823 -14.484  1.00 50.78           N  
+ATOM   3411  N   VAL D  20     -25.460 -11.215 -12.835  1.00 22.82           N  
+ATOM   3412  CA  VAL D  20     -23.926 -10.940 -13.321  1.00 40.38           C  
+ATOM   3413  C   VAL D  20     -23.628  -9.968 -13.933  1.00 37.93           C  
+ATOM   3414  O   VAL D  20     -22.741  -9.105 -14.256  1.00 32.18           O  
+ATOM   3415  CB  VAL D  20     -22.524 -12.140 -14.217  1.00 63.33           C  
+ATOM   3416  CG1 VAL D  20     -23.373 -13.095 -12.306  1.00 34.72           C  
+ATOM   3417  CG2 VAL D  20     -22.926 -12.781 -13.318  1.00 54.80           C  
+ATOM   3418  N   ASP D  21     -24.469  -9.996 -15.091  1.00 36.66           N  
+ATOM   3419  CA  ASP D  21     -24.588  -8.635 -15.872  1.00 54.12           C  
+ATOM   3420  C   ASP D  21     -24.717  -7.685 -15.749  1.00 46.84           C  
+ATOM   3421  O   ASP D  21     -23.610  -6.686 -15.937  1.00 32.53           O  
+ATOM   3422  CB  ASP D  21     -25.603  -8.934 -17.011  1.00 60.03           C  
+ATOM   3423  CG  ASP D  21     -25.523 -10.565 -17.717  1.00 75.30           C  
+ATOM   3424  OD1 ASP D  21     -24.242 -11.481 -17.893  1.00 51.52           O  
+ATOM   3425  OD2 ASP D  21     -25.948 -10.502 -18.826  1.00 64.70           O  
+ATOM   3426  N   GLU D  22     -25.623  -7.162 -14.906  1.00 27.09           N  
+ATOM   3427  CA  GLU D  22     -25.919  -5.886 -14.386  1.00 23.15           C  
+ATOM   3428  C   GLU D  22     -24.427  -5.530 -13.395  1.00 19.08           C  
+ATOM   3429  O   GLU D  22     -24.197  -4.407 -13.172  1.00 21.80           O  
+ATOM   3430  CB  GLU D  22     -27.280  -5.934 -13.774  1.00 35.52           C  
+ATOM   3431  CG  GLU D  22     -27.211  -5.635 -13.083  1.00 68.74           C  
+ATOM   3432  CD  GLU D  22     -28.960  -4.398 -12.033  1.00 80.12           C  
+ATOM   3433  OE1 GLU D  22     -29.624  -5.184 -11.024  1.00 61.13           O  
+ATOM   3434  OE2 GLU D  22     -29.463  -4.100 -13.136  1.00 73.88           O  
+ATOM   3435  N   VAL D  23     -24.426  -6.315 -12.392  1.00 20.94           N  
+ATOM   3436  CA  VAL D  23     -23.348  -6.099 -11.326  1.00 17.82           C  
+ATOM   3437  C   VAL D  23     -21.966  -6.004 -12.061  1.00 15.07           C  
+ATOM   3438  O   VAL D  23     -21.155  -5.154 -11.664  1.00 21.11           O  
+ATOM   3439  CB  VAL D  23     -23.341  -7.268 -10.216  1.00 18.64           C  
+ATOM   3440  CG1 VAL D  23     -22.169  -7.160  -9.566  1.00 21.45           C  
+ATOM   3441  CG2 VAL D  23     -24.676  -6.892  -9.537  1.00 21.02           C  
+ATOM   3442  N   GLY D  24     -21.629  -6.780 -12.936  1.00 12.96           N  
+ATOM   3443  CA  GLY D  24     -20.442  -6.846 -13.669  1.00 18.39           C  
+ATOM   3444  C   GLY D  24     -20.261  -5.559 -14.312  1.00 16.60           C  
+ATOM   3445  O   GLY D  24     -19.233  -4.768 -14.272  1.00 15.31           O  
+ATOM   3446  N   GLY D  25     -21.132  -4.866 -15.117  1.00 17.32           N  
+ATOM   3447  CA  GLY D  25     -21.127  -3.499 -15.792  1.00 16.45           C  
+ATOM   3448  C   GLY D  25     -21.008  -2.525 -14.804  1.00 12.17           C  
+ATOM   3449  O   GLY D  25     -20.114  -1.633 -15.055  1.00 21.20           O  
+ATOM   3450  N   GLU D  26     -21.690  -2.622 -13.683  1.00 15.97           N  
+ATOM   3451  CA  GLU D  26     -21.600  -1.628 -12.730  1.00 13.66           C  
+ATOM   3452  C   GLU D  26     -20.044  -1.546 -12.031  1.00 11.75           C  
+ATOM   3453  O   GLU D  26     -19.572  -0.450 -11.864  1.00 13.88           O  
+ATOM   3454  CB  GLU D  26     -22.662  -1.686 -11.514  1.00 18.62           C  
+ATOM   3455  CG  GLU D  26     -23.979   0.008 -11.890  1.00 39.81           C  
+ATOM   3456  CD  GLU D  26     -22.700  -0.395 -10.542  1.00 31.77           C  
+ATOM   3457  OE1 GLU D  26     -23.368   1.259 -10.392  1.00 34.99           O  
+ATOM   3458  OE2 GLU D  26     -24.210  -0.810  -9.865  1.00 54.79           O  
+ATOM   3459  N   ALA D  27     -19.673  -2.710 -11.707  1.00 12.60           N  
+ATOM   3460  CA  ALA D  27     -18.269  -2.901 -11.078  1.00 17.85           C  
+ATOM   3461  C   ALA D  27     -17.180  -2.341 -11.937  1.00 15.51           C  
+ATOM   3462  O   ALA D  27     -16.331  -1.489 -11.550  1.00 14.90           O  
+ATOM   3463  CB  ALA D  27     -18.048  -4.225 -10.534  1.00 15.58           C  
+ATOM   3464  N   LEU D  28     -17.183  -2.729 -13.203  1.00 16.04           N  
+ATOM   3465  CA  LEU D  28     -16.186  -2.309 -14.163  1.00 11.08           C  
+ATOM   3466  C   LEU D  28     -16.248  -0.897 -14.292  1.00 13.51           C  
+ATOM   3467  O   LEU D  28     -15.238  -0.124 -14.487  1.00 14.05           O  
+ATOM   3468  CB  LEU D  28     -16.275  -3.066 -15.497  1.00 12.20           C  
+ATOM   3469  CG  LEU D  28     -14.973  -2.764 -16.433  1.00 28.52           C  
+ATOM   3470  CD1 LEU D  28     -13.779  -3.087 -15.679  1.00 36.95           C  
+ATOM   3471  CD2 LEU D  28     -15.242  -3.401 -17.606  1.00 34.25           C  
+ATOM   3472  N   GLY D  29     -17.518  -0.283 -14.622  1.00 12.33           N  
+ATOM   3473  CA  GLY D  29     -17.751   1.088 -14.735  1.00 13.25           C  
+ATOM   3474  C   GLY D  29     -17.136   1.954 -13.603  1.00 12.50           C  
+ATOM   3475  O   GLY D  29     -16.531   3.012 -13.890  1.00 16.69           O  
+ATOM   3476  N   ARG D  30     -17.539   1.491 -12.441  1.00 15.15           N  
+ATOM   3477  CA  ARG D  30     -17.026   2.243 -11.337  1.00 17.77           C  
+ATOM   3478  C   ARG D  30     -15.527   2.171 -11.160  1.00 14.35           C  
+ATOM   3479  O   ARG D  30     -14.968   3.218 -10.798  1.00 14.59           O  
+ATOM   3480  CB  ARG D  30     -17.892   1.792 -10.040  1.00 15.53           C  
+ATOM   3481  CG  ARG D  30     -19.275   2.313  -9.820  1.00 16.65           C  
+ATOM   3482  CD  ARG D  30     -19.931   1.839  -8.709  1.00 28.01           C  
+ATOM   3483  NE  ARG D  30     -21.099   2.164  -8.522  1.00 23.10           N  
+ATOM   3484  CZ  ARG D  30     -21.731   3.109  -7.922  1.00 16.06           C  
+ATOM   3485  NH1 ARG D  30     -22.965   3.397  -7.723  1.00 17.46           N  
+ATOM   3486  NH2 ARG D  30     -21.050   3.807  -6.871  1.00 10.32           N  
+ATOM   3487  N   LEU D  31     -14.961   1.160 -11.442  1.00 15.53           N  
+ATOM   3488  CA  LEU D  31     -13.554   1.103 -11.546  1.00 14.63           C  
+ATOM   3489  C   LEU D  31     -12.894   2.305 -12.254  1.00 16.67           C  
+ATOM   3490  O   LEU D  31     -11.964   2.890 -11.986  1.00 15.33           O  
+ATOM   3491  CB  LEU D  31     -12.961  -0.342 -11.951  1.00 12.02           C  
+ATOM   3492  CG  LEU D  31     -11.524  -0.502 -11.963  1.00 17.81           C  
+ATOM   3493  CD1 LEU D  31     -10.867  -0.718 -10.607  1.00 18.94           C  
+ATOM   3494  CD2 LEU D  31     -11.112  -1.549 -12.889  1.00 18.38           C  
+ATOM   3495  N   LEU D  32     -13.461   2.265 -13.601  1.00  8.95           N  
+ATOM   3496  CA  LEU D  32     -13.016   3.232 -14.475  1.00 13.61           C  
+ATOM   3497  C   LEU D  32     -13.249   4.589 -14.109  1.00 13.07           C  
+ATOM   3498  O   LEU D  32     -12.457   5.593 -14.562  1.00 15.98           O  
+ATOM   3499  CB  LEU D  32     -13.512   2.944 -15.805  1.00 14.00           C  
+ATOM   3500  CG  LEU D  32     -12.943   1.707 -16.403  1.00 23.55           C  
+ATOM   3501  CD1 LEU D  32     -13.857   1.407 -17.761  1.00 25.80           C  
+ATOM   3502  CD2 LEU D  32     -11.759   1.263 -16.551  1.00 26.67           C  
+ATOM   3503  N   VAL D  33     -14.340   4.892 -13.280  1.00 13.83           N  
+ATOM   3504  CA  VAL D  33     -14.717   6.296 -12.776  1.00 13.13           C  
+ATOM   3505  C   VAL D  33     -13.702   6.655 -11.697  1.00 16.82           C  
+ATOM   3506  O   VAL D  33     -13.288   7.735 -11.589  1.00 15.10           O  
+ATOM   3507  CB  VAL D  33     -16.181   6.271 -12.468  1.00 11.59           C  
+ATOM   3508  CG1 VAL D  33     -16.396   7.592 -11.833  1.00 21.42           C  
+ATOM   3509  CG2 VAL D  33     -16.955   6.215 -13.830  1.00 18.60           C  
+ATOM   3510  N   VAL D  34     -13.788   5.741 -10.696  1.00 12.61           N  
+ATOM   3511  CA  VAL D  34     -13.205   6.102  -9.422  1.00 13.03           C  
+ATOM   3512  C   VAL D  34     -11.709   6.268  -9.501  1.00 15.88           C  
+ATOM   3513  O   VAL D  34     -11.074   6.862  -8.702  1.00 16.40           O  
+ATOM   3514  CB  VAL D  34     -13.754   5.224  -8.226  1.00 15.07           C  
+ATOM   3515  CG1 VAL D  34     -13.038   5.375  -6.973  1.00 13.90           C  
+ATOM   3516  CG2 VAL D  34     -15.220   5.422  -8.063  1.00 18.23           C  
+ATOM   3517  N   TYR D  35     -11.136   5.248 -10.266  1.00 11.62           N  
+ATOM   3518  CA  TYR D  35      -9.629   5.095 -10.409  1.00 14.47           C  
+ATOM   3519  C   TYR D  35      -9.420   5.204 -11.973  1.00 16.31           C  
+ATOM   3520  O   TYR D  35      -9.060   4.177 -12.606  1.00 17.14           O  
+ATOM   3521  CB  TYR D  35      -9.241   3.705  -9.961  1.00 14.04           C  
+ATOM   3522  CG  TYR D  35      -9.664   3.371  -8.620  1.00 16.50           C  
+ATOM   3523  CD1 TYR D  35      -9.076   4.102  -7.605  1.00 16.28           C  
+ATOM   3524  CD2 TYR D  35     -10.520   2.540  -8.304  1.00 21.92           C  
+ATOM   3525  CE1 TYR D  35      -9.315   3.966  -6.162  1.00 18.51           C  
+ATOM   3526  CE2 TYR D  35     -10.873   2.362  -6.966  1.00 25.13           C  
+ATOM   3527  CZ  TYR D  35     -10.254   3.015  -5.920  1.00 19.91           C  
+ATOM   3528  OH  TYR D  35     -10.861   2.820  -4.629  1.00 21.91           O  
+ATOM   3529  N   PRO D  36      -9.392   6.463 -12.417  1.00 14.59           N  
+ATOM   3530  CA  PRO D  36      -9.346   6.600 -14.037  1.00 16.73           C  
+ATOM   3531  C   PRO D  36      -8.099   6.185 -14.723  1.00 13.23           C  
+ATOM   3532  O   PRO D  36      -8.183   5.907 -15.944  1.00 15.17           O  
+ATOM   3533  CB  PRO D  36      -9.750   8.096 -14.119  1.00 24.30           C  
+ATOM   3534  CG  PRO D  36      -9.458   8.680 -12.746  1.00 25.67           C  
+ATOM   3535  CD  PRO D  36      -9.575   7.632 -11.872  1.00 17.58           C  
+ATOM   3536  N   TRP D  37      -6.974   5.929 -13.940  1.00 13.75           N  
+ATOM   3537  CA  TRP D  37      -5.897   5.496 -14.615  1.00 15.13           C  
+ATOM   3538  C   TRP D  37      -5.961   4.094 -15.089  1.00 14.32           C  
+ATOM   3539  O   TRP D  37      -5.292   3.617 -16.098  1.00 19.70           O  
+ATOM   3540  CB  TRP D  37      -4.642   5.522 -13.687  1.00 13.13           C  
+ATOM   3541  CG  TRP D  37      -4.793   4.873 -12.298  1.00  8.65           C  
+ATOM   3542  CD1 TRP D  37      -4.494   3.633 -11.929  1.00 13.10           C  
+ATOM   3543  CD2 TRP D  37      -5.201   5.532 -10.999  1.00 14.59           C  
+ATOM   3544  NE1 TRP D  37      -4.604   3.407 -10.644  1.00 17.65           N  
+ATOM   3545  CE2 TRP D  37      -5.232   4.530 -10.117  1.00 16.05           C  
+ATOM   3546  CE3 TRP D  37      -5.786   6.762 -10.728  1.00 11.20           C  
+ATOM   3547  CZ2 TRP D  37      -5.541   4.775  -8.606  1.00 26.88           C  
+ATOM   3548  CZ3 TRP D  37      -6.287   7.021  -9.443  1.00 11.28           C  
+ATOM   3549  CH2 TRP D  37      -5.996   6.001  -8.551  1.00 16.90           C  
+ATOM   3550  N   THR D  38      -6.984   3.333 -14.581  1.00 16.64           N  
+ATOM   3551  CA  THR D  38      -7.362   1.995 -14.995  1.00 14.14           C  
+ATOM   3552  C   THR D  38      -7.792   2.033 -16.539  1.00 18.16           C  
+ATOM   3553  O   THR D  38      -7.920   0.930 -17.161  1.00 16.15           O  
+ATOM   3554  CB  THR D  38      -8.440   1.318 -14.155  1.00 11.09           C  
+ATOM   3555  OG1 THR D  38      -9.618   2.008 -14.130  1.00 14.48           O  
+ATOM   3556  CG2 THR D  38      -7.730   1.043 -12.892  1.00 16.14           C  
+ATOM   3557  N   GLN D  39      -8.345   3.275 -16.962  1.00 12.07           N  
+ATOM   3558  CA  GLN D  39      -8.833   3.256 -18.352  1.00 10.72           C  
+ATOM   3559  C   GLN D  39      -7.732   3.116 -19.349  1.00 16.84           C  
+ATOM   3560  O   GLN D  39      -7.933   2.801 -20.471  1.00 21.52           O  
+ATOM   3561  CB  GLN D  39      -9.205   4.786 -18.517  1.00 13.63           C  
+ATOM   3562  CG  GLN D  39     -10.419   4.929 -17.639  1.00 17.04           C  
+ATOM   3563  CD  GLN D  39     -10.861   6.282 -17.855  1.00 23.47           C  
+ATOM   3564  OE1 GLN D  39     -10.432   7.200 -18.833  1.00 25.04           O  
+ATOM   3565  NE2 GLN D  39     -11.740   6.840 -16.888  1.00 28.38           N  
+ATOM   3566  N   ARG D  40      -6.331   2.999 -19.002  1.00 12.32           N  
+ATOM   3567  CA  ARG D  40      -5.095   2.844 -19.730  1.00 16.79           C  
+ATOM   3568  C   ARG D  40      -5.433   1.605 -20.411  1.00 17.58           C  
+ATOM   3569  O   ARG D  40      -4.682   1.315 -21.633  1.00 20.86           O  
+ATOM   3570  CB  ARG D  40      -3.966   2.461 -18.813  1.00 22.83           C  
+ATOM   3571  CG  ARG D  40      -3.694   1.460 -18.189  1.00 37.26           C  
+ATOM   3572  CD  ARG D  40      -2.418   1.834 -17.304  1.00 23.75           C  
+ATOM   3573  NE  ARG D  40      -1.279   2.091 -17.831  1.00 28.71           N  
+ATOM   3574  CZ  ARG D  40      -0.609   1.176 -18.760  1.00 41.77           C  
+ATOM   3575  NH1 ARG D  40      -0.700   0.067 -18.486  1.00 31.05           N  
+ATOM   3576  NH2 ARG D  40       0.625   1.911 -19.038  1.00 37.79           N  
+ATOM   3577  N   PHE D  41      -6.207   0.540 -20.107  1.00 15.17           N  
+ATOM   3578  CA  PHE D  41      -6.336  -0.770 -20.711  1.00 16.55           C  
+ATOM   3579  C   PHE D  41      -7.612  -0.691 -21.880  1.00 20.00           C  
+ATOM   3580  O   PHE D  41      -7.651  -1.868 -22.265  1.00 23.52           O  
+ATOM   3581  CB  PHE D  41      -6.568  -1.995 -19.811  1.00 13.75           C  
+ATOM   3582  CG  PHE D  41      -5.344  -2.033 -18.714  1.00 12.41           C  
+ATOM   3583  CD1 PHE D  41      -5.592  -1.379 -17.449  1.00 16.97           C  
+ATOM   3584  CD2 PHE D  41      -4.233  -2.496 -19.084  1.00 18.05           C  
+ATOM   3585  CE1 PHE D  41      -4.371  -1.693 -16.818  1.00 23.07           C  
+ATOM   3586  CE2 PHE D  41      -3.008  -2.505 -18.298  1.00 24.82           C  
+ATOM   3587  CZ  PHE D  41      -3.359  -2.006 -17.025  1.00 25.09           C  
+ATOM   3588  N   PHE D  42      -8.192   0.386 -21.832  1.00 15.21           N  
+ATOM   3589  CA  PHE D  42      -9.461   0.148 -22.436  1.00 14.18           C  
+ATOM   3590  C   PHE D  42      -9.645   1.104 -23.586  1.00 19.41           C  
+ATOM   3591  O   PHE D  42     -10.690   1.871 -23.828  1.00 18.71           O  
+ATOM   3592  CB  PHE D  42     -10.613   0.298 -21.592  1.00 21.58           C  
+ATOM   3593  CG  PHE D  42     -10.602  -1.034 -20.710  1.00 17.63           C  
+ATOM   3594  CD1 PHE D  42     -10.145  -0.545 -19.164  1.00 20.37           C  
+ATOM   3595  CD2 PHE D  42     -11.012  -2.318 -21.048  1.00 20.14           C  
+ATOM   3596  CE1 PHE D  42     -10.225  -1.848 -18.434  1.00 27.02           C  
+ATOM   3597  CE2 PHE D  42     -10.887  -3.301 -20.223  1.00 27.08           C  
+ATOM   3598  CZ  PHE D  42     -10.474  -2.972 -18.757  1.00 18.28           C  
+ATOM   3599  N   GLU D  43      -8.375   1.400 -24.058  1.00 32.32           N  
+ATOM   3600  CA  GLU D  43      -8.561   2.747 -24.914  1.00 33.61           C  
+ATOM   3601  C   GLU D  43      -9.574   2.656 -26.563  1.00 12.75           C  
+ATOM   3602  O   GLU D  43      -9.904   3.604 -26.926  1.00 26.94           O  
+ATOM   3603  CB  GLU D  43      -7.590   2.897 -25.572  1.00 65.31           C  
+ATOM   3604  CG  GLU D  43      -6.882   2.859 -25.890  1.00 43.00           C  
+ATOM   3605  CD  GLU D  43      -6.060   4.011 -24.596  1.00 32.00           C  
+ATOM   3606  OE1 GLU D  43      -6.764   5.450 -24.611  1.00 29.89           O  
+ATOM   3607  OE2 GLU D  43      -4.721   4.728 -24.142  1.00 58.55           O  
+ATOM   3608  N   SER D  44      -9.605   1.289 -26.702  1.00 19.02           N  
+ATOM   3609  CA  SER D  44     -10.333   0.707 -27.924  1.00 25.67           C  
+ATOM   3610  C   SER D  44     -11.604   0.898 -27.554  1.00 26.66           C  
+ATOM   3611  O   SER D  44     -12.646   0.619 -28.203  1.00 32.13           O  
+ATOM   3612  CB  SER D  44     -10.139  -0.585 -28.237  1.00 42.87           C  
+ATOM   3613  OG  SER D  44     -10.504  -1.572 -27.556  1.00 44.29           O  
+ATOM   3614  N   PHE D  45     -12.328   1.230 -26.297  1.00 27.34           N  
+ATOM   3615  CA  PHE D  45     -13.753   1.140 -25.852  1.00 24.93           C  
+ATOM   3616  C   PHE D  45     -14.575   2.593 -26.282  1.00 23.30           C  
+ATOM   3617  O   PHE D  45     -15.815   2.187 -25.861  1.00 31.71           O  
+ATOM   3618  CB  PHE D  45     -13.703   0.919 -24.328  1.00 26.07           C  
+ATOM   3619  CG  PHE D  45     -13.645  -0.527 -24.075  1.00 19.10           C  
+ATOM   3620  CD1 PHE D  45     -14.209  -0.901 -22.815  1.00 43.96           C  
+ATOM   3621  CD2 PHE D  45     -13.155  -1.495 -24.645  1.00 26.17           C  
+ATOM   3622  CE1 PHE D  45     -14.066  -2.469 -22.506  1.00 29.49           C  
+ATOM   3623  CE2 PHE D  45     -12.912  -2.782 -24.307  1.00 32.75           C  
+ATOM   3624  CZ  PHE D  45     -13.459  -3.397 -23.316  1.00 28.04           C  
+ATOM   3625  N   GLY D  46     -14.104   3.279 -26.525  1.00 35.08           N  
+ATOM   3626  CA  GLY D  46     -14.935   4.262 -26.788  1.00 34.51           C  
+ATOM   3627  C   GLY D  46     -15.024   5.841 -25.884  1.00 32.00           C  
+ATOM   3628  O   GLY D  46     -13.703   5.710 -25.436  1.00 42.65           O  
+ATOM   3629  N   ASP D  47     -16.270   6.088 -25.501  1.00 33.75           N  
+ATOM   3630  CA  ASP D  47     -15.315   7.928 -25.257  1.00 43.29           C  
+ATOM   3631  C   ASP D  47     -15.918   7.002 -23.097  1.00 24.69           C  
+ATOM   3632  O   ASP D  47     -17.090   6.340 -23.091  1.00 33.08           O  
+ATOM   3633  CB  ASP D  47     -17.246   8.111 -25.348  1.00 48.49           C  
+ATOM   3634  CG  ASP D  47     -17.316   9.636 -24.481  1.00 50.77           C  
+ATOM   3635  OD1 ASP D  47     -18.624   9.821 -24.553  1.00 57.75           O  
+ATOM   3636  OD2 ASP D  47     -16.233  10.163 -24.247  1.00 45.03           O  
+ATOM   3637  N   LEU D  48     -14.887   7.498 -22.782  1.00 25.73           N  
+ATOM   3638  CA  LEU D  48     -14.700   7.013 -21.145  1.00 29.97           C  
+ATOM   3639  C   LEU D  48     -14.723   8.417 -20.213  1.00 32.06           C  
+ATOM   3640  O   LEU D  48     -13.912   8.444 -19.219  1.00 36.43           O  
+ATOM   3641  CB  LEU D  48     -13.472   6.468 -21.109  1.00 41.80           C  
+ATOM   3642  CG  LEU D  48     -13.862   5.004 -21.634  1.00 22.03           C  
+ATOM   3643  CD1 LEU D  48     -12.363   4.146 -21.342  1.00 37.56           C  
+ATOM   3644  CD2 LEU D  48     -15.085   4.189 -21.243  1.00 29.67           C  
+ATOM   3645  N   SER D  49     -15.191   9.523 -21.130  1.00 38.40           N  
+ATOM   3646  CA  SER D  49     -14.387  10.788 -20.677  1.00 43.30           C  
+ATOM   3647  C   SER D  49     -15.473  11.721 -19.486  1.00 46.97           C  
+ATOM   3648  O   SER D  49     -14.763  12.145 -18.356  1.00 46.32           O  
+ATOM   3649  CB  SER D  49     -14.644  11.939 -21.771  1.00 47.25           C  
+ATOM   3650  OG  SER D  49     -16.017  12.123 -22.081  1.00 49.74           O  
+ATOM   3651  N   THR D  50     -16.621  11.041 -19.530  1.00 43.91           N  
+ATOM   3652  CA  THR D  50     -16.855  11.313 -17.860  1.00 36.95           C  
+ATOM   3653  C   THR D  50     -18.023  10.172 -17.341  1.00 36.10           C  
+ATOM   3654  O   THR D  50     -18.171   9.157 -18.076  1.00 28.99           O  
+ATOM   3655  CB  THR D  50     -18.590  12.293 -18.547  1.00 37.26           C  
+ATOM   3656  OG1 THR D  50     -19.750  11.618 -19.297  1.00 36.38           O  
+ATOM   3657  CG2 THR D  50     -18.025  13.508 -19.178  1.00 56.40           C  
+ATOM   3658  N   PRO D  51     -18.501  10.284 -16.193  1.00 37.42           N  
+ATOM   3659  CA  PRO D  51     -19.225   9.303 -15.560  1.00 32.59           C  
+ATOM   3660  C   PRO D  51     -20.269   8.625 -16.174  1.00 29.25           C  
+ATOM   3661  O   PRO D  51     -20.632   7.313 -16.333  1.00 26.15           O  
+ATOM   3662  CB  PRO D  51     -19.687   9.933 -14.153  1.00 37.41           C  
+ATOM   3663  CG  PRO D  51     -18.587  10.776 -13.939  1.00 36.57           C  
+ATOM   3664  CD  PRO D  51     -18.147  11.586 -15.357  1.00 42.54           C  
+ATOM   3665  N   ASP D  52     -21.166   9.545 -16.896  1.00 30.65           N  
+ATOM   3666  CA  ASP D  52     -22.575   8.738 -17.587  1.00 39.40           C  
+ATOM   3667  C   ASP D  52     -21.861   8.056 -18.864  1.00 56.69           C  
+ATOM   3668  O   ASP D  52     -22.611   7.193 -19.113  1.00 40.69           O  
+ATOM   3669  CB  ASP D  52     -23.192  10.048 -17.807  1.00 43.19           C  
+ATOM   3670  CG  ASP D  52     -24.003  11.080 -16.646  1.00 63.04           C  
+ATOM   3671  OD1 ASP D  52     -23.975  10.324 -15.803  1.00 49.71           O  
+ATOM   3672  OD2 ASP D  52     -21.902  12.263 -16.248  1.00 60.40           O  
+ATOM   3673  N   ALA D  53     -21.035   8.713 -19.489  1.00 26.05           N  
+ATOM   3674  CA  ALA D  53     -20.460   8.256 -20.648  1.00 33.75           C  
+ATOM   3675  C   ALA D  53     -19.850   6.612 -20.478  1.00 42.76           C  
+ATOM   3676  O   ALA D  53     -20.052   5.785 -20.744  1.00 38.58           O  
+ATOM   3677  CB  ALA D  53     -19.424   8.739 -21.252  1.00 40.18           C  
+ATOM   3678  N   VAL D  54     -18.829   6.696 -19.306  1.00 27.10           N  
+ATOM   3679  CA  VAL D  54     -18.358   5.224 -18.836  1.00 25.12           C  
+ATOM   3680  C   VAL D  54     -19.446   4.410 -18.467  1.00 26.50           C  
+ATOM   3681  O   VAL D  54     -19.614   3.128 -18.953  1.00 24.76           O  
+ATOM   3682  CB  VAL D  54     -17.388   5.607 -17.705  1.00 26.67           C  
+ATOM   3683  CG1 VAL D  54     -17.066   4.042 -17.246  1.00 25.19           C  
+ATOM   3684  CG2 VAL D  54     -16.359   6.289 -17.975  1.00 31.48           C  
+ATOM   3685  N   MET D  55     -20.628   4.739 -17.700  1.00 25.87           N  
+ATOM   3686  CA  MET D  55     -21.589   3.767 -17.229  1.00 29.84           C  
+ATOM   3687  C   MET D  55     -22.865   3.307 -18.556  1.00 35.52           C  
+ATOM   3688  O   MET D  55     -23.112   2.208 -18.285  1.00 32.07           O  
+ATOM   3689  CB  MET D  55     -22.456   4.472 -15.982  1.00 26.28           C  
+ATOM   3690  CG  MET D  55     -21.631   4.626 -15.056  1.00 36.16           C  
+ATOM   3691  SD  MET D  55     -20.389   3.558 -14.111  1.00 25.36           S  
+ATOM   3692  CE  MET D  55     -21.479   2.431 -13.702  1.00 19.21           C  
+ATOM   3693  N   GLY D  56     -22.639   4.442 -19.311  1.00 30.97           N  
+ATOM   3694  CA  GLY D  56     -23.658   3.737 -20.126  1.00 35.09           C  
+ATOM   3695  C   GLY D  56     -22.967   3.067 -21.283  1.00 44.75           C  
+ATOM   3696  O   GLY D  56     -23.331   2.815 -22.514  1.00 34.49           O  
+ATOM   3697  N   ASN D  57     -21.558   3.094 -21.617  1.00 25.90           N  
+ATOM   3698  CA  ASN D  57     -20.747   2.578 -22.658  1.00 29.86           C  
+ATOM   3699  C   ASN D  57     -21.034   1.130 -22.652  1.00 26.15           C  
+ATOM   3700  O   ASN D  57     -20.989   0.128 -21.968  1.00 26.55           O  
+ATOM   3701  CB  ASN D  57     -19.324   2.902 -22.444  1.00 30.42           C  
+ATOM   3702  CG  ASN D  57     -18.502   2.332 -23.503  1.00 23.49           C  
+ATOM   3703  OD1 ASN D  57     -18.423   1.194 -24.009  1.00 31.02           O  
+ATOM   3704  ND2 ASN D  57     -17.712   3.179 -23.808  1.00 27.30           N  
+ATOM   3705  N   PRO D  58     -21.467   0.671 -23.926  1.00 29.25           N  
+ATOM   3706  CA  PRO D  58     -21.926  -0.726 -24.096  1.00 25.97           C  
+ATOM   3707  C   PRO D  58     -20.503  -1.629 -24.124  1.00 16.05           C  
+ATOM   3708  O   PRO D  58     -20.837  -2.940 -23.655  1.00 24.61           O  
+ATOM   3709  CB  PRO D  58     -22.522  -0.927 -25.620  1.00 33.18           C  
+ATOM   3710  CG  PRO D  58     -21.947   0.977 -25.418  1.00 59.49           C  
+ATOM   3711  CD  PRO D  58     -21.892   1.180 -25.502  1.00 43.36           C  
+ATOM   3712  N   LYS D  59     -19.460  -1.283 -24.501  1.00 21.03           N  
+ATOM   3713  CA  LYS D  59     -18.361  -2.042 -24.450  1.00 25.38           C  
+ATOM   3714  C   LYS D  59     -17.715  -2.407 -22.856  1.00 17.84           C  
+ATOM   3715  O   LYS D  59     -17.308  -3.569 -22.731  1.00 21.39           O  
+ATOM   3716  CB  LYS D  59     -17.227  -1.661 -25.270  1.00 32.15           C  
+ATOM   3717  CG  LYS D  59     -17.383  -1.768 -26.732  1.00 48.59           C  
+ATOM   3718  CD  LYS D  59     -16.823  -1.145 -27.228  1.00 53.12           C  
+ATOM   3719  CE  LYS D  59     -15.877  -1.703 -28.754  1.00 53.54           C  
+ATOM   3720  NZ  LYS D  59     -16.728  -0.847 -29.838  1.00 62.98           N  
+ATOM   3721  N   VAL D  60     -18.099  -1.250 -22.201  1.00 18.98           N  
+ATOM   3722  CA  VAL D  60     -17.893  -1.490 -20.566  1.00 19.06           C  
+ATOM   3723  C   VAL D  60     -18.582  -2.535 -20.118  1.00 17.34           C  
+ATOM   3724  O   VAL D  60     -18.311  -3.436 -19.262  1.00 23.46           O  
+ATOM   3725  CB  VAL D  60     -17.740  -0.068 -19.973  1.00 21.26           C  
+ATOM   3726  CG1 VAL D  60     -17.894  -0.452 -18.381  1.00 33.14           C  
+ATOM   3727  CG2 VAL D  60     -16.838   0.852 -20.547  1.00 22.06           C  
+ATOM   3728  N   LYS D  61     -20.037  -2.374 -20.306  1.00 22.59           N  
+ATOM   3729  CA  LYS D  61     -21.055  -3.383 -19.935  1.00 26.15           C  
+ATOM   3730  C   LYS D  61     -20.810  -4.741 -20.319  1.00 17.30           C  
+ATOM   3731  O   LYS D  61     -20.683  -5.728 -19.595  1.00 21.45           O  
+ATOM   3732  CB  LYS D  61     -22.507  -2.996 -20.257  1.00 26.85           C  
+ATOM   3733  CG  LYS D  61     -22.914  -1.601 -19.668  1.00 38.21           C  
+ATOM   3734  CD  LYS D  61     -23.980  -1.298 -20.293  1.00 63.66           C  
+ATOM   3735  CE  LYS D  61     -25.073  -0.202 -19.530  1.00 68.06           C  
+ATOM   3736  NZ  LYS D  61     -26.116   0.022 -20.150  1.00 60.84           N  
+ATOM   3737  N   ALA D  62     -20.349  -4.906 -21.599  1.00 19.16           N  
+ATOM   3738  CA  ALA D  62     -20.005  -6.284 -22.177  1.00 20.58           C  
+ATOM   3739  C   ALA D  62     -18.862  -7.045 -21.486  1.00 20.27           C  
+ATOM   3740  O   ALA D  62     -18.872  -8.142 -21.107  1.00 20.37           O  
+ATOM   3741  CB  ALA D  62     -19.803  -6.090 -23.619  1.00 22.88           C  
+ATOM   3742  N   HIS D  63     -17.847  -6.087 -21.291  1.00 19.01           N  
+ATOM   3743  CA  HIS D  63     -16.655  -6.703 -20.657  1.00 22.19           C  
+ATOM   3744  C   HIS D  63     -16.866  -6.900 -19.133  1.00 18.77           C  
+ATOM   3745  O   HIS D  63     -16.263  -7.930 -18.702  1.00 19.91           O  
+ATOM   3746  CB  HIS D  63     -15.613  -5.996 -20.822  1.00 33.38           C  
+ATOM   3747  CG  HIS D  63     -13.969  -6.285 -20.598  1.00 22.34           C  
+ATOM   3748  ND1 HIS D  63     -13.645  -7.369 -21.205  1.00 25.81           N  
+ATOM   3749  CD2 HIS D  63     -13.423  -5.898 -19.324  1.00 33.81           C  
+ATOM   3750  CE1 HIS D  63     -12.413  -7.623 -20.166  1.00 24.99           C  
+ATOM   3751  NE2 HIS D  63     -12.303  -6.521 -19.735  1.00 32.42           N  
+ATOM   3752  N   GLY D  64     -17.554  -5.957 -18.637  1.00 15.38           N  
+ATOM   3753  CA  GLY D  64     -17.922  -6.237 -17.300  1.00 18.66           C  
+ATOM   3754  C   GLY D  64     -18.656  -7.558 -16.822  1.00 23.30           C  
+ATOM   3755  O   GLY D  64     -18.361  -8.374 -16.052  1.00 21.27           O  
+ATOM   3756  N   LYS D  65     -19.546  -7.946 -17.963  1.00 22.12           N  
+ATOM   3757  CA  LYS D  65     -20.149  -9.350 -17.810  1.00 26.40           C  
+ATOM   3758  C   LYS D  65     -19.206 -10.475 -18.054  1.00 25.29           C  
+ATOM   3759  O   LYS D  65     -19.376 -11.449 -17.320  1.00 24.58           O  
+ATOM   3760  CB  LYS D  65     -21.237  -9.249 -19.016  1.00 42.10           C  
+ATOM   3761  CG  LYS D  65     -21.741 -10.662 -18.763  1.00 41.04           C  
+ATOM   3762  CD  LYS D  65     -22.779 -10.191 -20.722  1.00 41.66           C  
+ATOM   3763  CE  LYS D  65     -22.954 -12.381 -20.558  1.00 58.61           C  
+ATOM   3764  NZ  LYS D  65     -24.294 -12.168 -21.421  1.00 49.59           N  
+ATOM   3765  N   LYS D  66     -18.192 -10.318 -18.949  1.00 22.59           N  
+ATOM   3766  CA  LYS D  66     -17.187 -11.342 -19.305  1.00 23.91           C  
+ATOM   3767  C   LYS D  66     -16.648 -11.569 -17.853  1.00 25.32           C  
+ATOM   3768  O   LYS D  66     -16.190 -12.713 -17.500  1.00 23.23           O  
+ATOM   3769  CB  LYS D  66     -16.360 -10.927 -20.397  1.00 18.18           C  
+ATOM   3770  CG  LYS D  66     -15.506 -11.226 -21.025  1.00 49.93           C  
+ATOM   3771  CD  LYS D  66     -15.452 -11.136 -23.086  1.00 31.44           C  
+ATOM   3772  CE  LYS D  66     -14.594 -13.236 -23.101  1.00 50.83           C  
+ATOM   3773  NZ  LYS D  66     -13.105 -13.073 -24.350  1.00 53.30           N  
+ATOM   3774  N   VAL D  67     -16.012 -10.379 -17.238  1.00 17.89           N  
+ATOM   3775  CA  VAL D  67     -15.129 -10.761 -16.039  1.00 17.07           C  
+ATOM   3776  C   VAL D  67     -15.858 -11.174 -14.995  1.00 11.37           C  
+ATOM   3777  O   VAL D  67     -15.392 -12.090 -14.267  1.00 18.26           O  
+ATOM   3778  CB  VAL D  67     -14.485  -9.126 -15.950  1.00 18.16           C  
+ATOM   3779  CG1 VAL D  67     -14.204  -9.183 -14.372  1.00 22.61           C  
+ATOM   3780  CG2 VAL D  67     -13.683  -8.637 -17.078  1.00 19.30           C  
+ATOM   3781  N   LEU D  68     -17.081 -10.772 -14.714  1.00 12.24           N  
+ATOM   3782  CA  LEU D  68     -17.709 -11.246 -13.544  1.00 14.83           C  
+ATOM   3783  C   LEU D  68     -18.294 -12.710 -13.662  1.00 13.25           C  
+ATOM   3784  O   LEU D  68     -18.430 -13.575 -12.845  1.00 18.25           O  
+ATOM   3785  CB  LEU D  68     -18.960 -10.522 -12.977  1.00 23.35           C  
+ATOM   3786  CG  LEU D  68     -19.065  -9.950 -11.782  1.00 32.52           C  
+ATOM   3787  CD1 LEU D  68     -18.211 -10.021 -10.888  1.00 40.78           C  
+ATOM   3788  CD2 LEU D  68     -20.119  -9.201 -11.516  1.00 39.22           C  
+ATOM   3789  N   GLY D  69     -18.532 -13.001 -15.044  1.00 22.38           N  
+ATOM   3790  CA  GLY D  69     -18.677 -14.387 -15.364  1.00 27.48           C  
+ATOM   3791  C   GLY D  69     -17.639 -15.482 -15.016  1.00 17.57           C  
+ATOM   3792  O   GLY D  69     -17.849 -16.416 -14.366  1.00 21.01           O  
+ATOM   3793  N   ALA D  70     -16.381 -14.966 -15.333  1.00 17.61           N  
+ATOM   3794  CA  ALA D  70     -15.237 -15.816 -14.969  1.00 17.42           C  
+ATOM   3795  C   ALA D  70     -15.098 -15.818 -13.537  1.00 19.59           C  
+ATOM   3796  O   ALA D  70     -14.642 -16.873 -12.761  1.00 18.72           O  
+ATOM   3797  CB  ALA D  70     -14.109 -15.221 -15.702  1.00 18.83           C  
+ATOM   3798  N   PHE D  71     -15.369 -14.689 -12.922  1.00 18.97           N  
+ATOM   3799  CA  PHE D  71     -15.352 -14.546 -11.295  1.00 24.55           C  
+ATOM   3800  C   PHE D  71     -16.405 -15.564 -10.716  1.00 22.73           C  
+ATOM   3801  O   PHE D  71     -15.988 -16.296  -9.916  1.00 26.00           O  
+ATOM   3802  CB  PHE D  71     -15.526 -13.076 -10.943  1.00 18.78           C  
+ATOM   3803  CG  PHE D  71     -15.587 -12.889  -9.418  1.00 15.63           C  
+ATOM   3804  CD1 PHE D  71     -14.330 -12.356  -8.913  1.00 23.81           C  
+ATOM   3805  CD2 PHE D  71     -16.955 -13.108  -8.941  1.00 34.86           C  
+ATOM   3806  CE1 PHE D  71     -14.431 -12.324  -7.507  1.00 19.91           C  
+ATOM   3807  CE2 PHE D  71     -16.645 -13.000  -7.472  1.00 36.36           C  
+ATOM   3808  CZ  PHE D  71     -15.423 -12.584  -6.796  1.00 26.08           C  
+ATOM   3809  N   SER D  72     -17.526 -15.632 -11.448  1.00 19.94           N  
+ATOM   3810  CA  SER D  72     -18.560 -16.484 -11.205  1.00 23.38           C  
+ATOM   3811  C   SER D  72     -18.098 -17.836 -10.814  1.00 24.72           C  
+ATOM   3812  O   SER D  72     -18.305 -18.802  -9.908  1.00 26.53           O  
+ATOM   3813  CB  SER D  72     -20.212 -16.588 -11.400  1.00 29.23           C  
+ATOM   3814  OG  SER D  72     -20.268 -15.282 -11.624  1.00 41.11           O  
+ATOM   3815  N   ASP D  73     -17.601 -18.307 -12.047  1.00 28.33           N  
+ATOM   3816  CA  ASP D  73     -16.810 -19.464 -12.087  1.00 41.54           C  
+ATOM   3817  C   ASP D  73     -16.106 -20.105 -11.342  1.00 28.94           C  
+ATOM   3818  O   ASP D  73     -15.997 -21.061 -10.645  1.00 34.21           O  
+ATOM   3819  CB  ASP D  73     -16.190 -20.100 -13.720  1.00 46.96           C  
+ATOM   3820  CG  ASP D  73     -17.426 -20.027 -14.053  1.00 54.92           C  
+ATOM   3821  OD1 ASP D  73     -18.701 -19.481 -14.810  1.00 44.49           O  
+ATOM   3822  OD2 ASP D  73     -16.811 -19.333 -16.112  1.00 50.27           O  
+ATOM   3823  N   GLY D  74     -15.211 -19.059 -10.501  1.00 26.75           N  
+ATOM   3824  CA  GLY D  74     -14.376 -19.390  -9.473  1.00 22.69           C  
+ATOM   3825  C   GLY D  74     -14.851 -19.537  -8.039  1.00 23.14           C  
+ATOM   3826  O   GLY D  74     -14.419 -20.191  -7.094  1.00 29.20           O  
+ATOM   3827  N   LEU D  75     -16.177 -18.924  -8.005  1.00 21.18           N  
+ATOM   3828  CA  LEU D  75     -16.870 -19.385  -6.815  1.00 34.17           C  
+ATOM   3829  C   LEU D  75     -17.117 -20.780  -6.565  1.00 37.46           C  
+ATOM   3830  O   LEU D  75     -17.563 -21.063  -5.534  1.00 40.90           O  
+ATOM   3831  CB  LEU D  75     -18.078 -18.207  -6.714  1.00 36.63           C  
+ATOM   3832  CG  LEU D  75     -17.957 -16.908  -6.209  1.00 28.96           C  
+ATOM   3833  CD1 LEU D  75     -16.674 -16.783  -5.652  1.00 54.84           C  
+ATOM   3834  CD2 LEU D  75     -18.450 -15.831  -6.570  1.00 41.72           C  
+ATOM   3835  N   ALA D  76     -17.372 -21.329  -7.689  1.00 36.74           N  
+ATOM   3836  CA  ALA D  76     -17.490 -23.239  -8.009  1.00 46.27           C  
+ATOM   3837  C   ALA D  76     -16.460 -23.394  -7.753  1.00 39.68           C  
+ATOM   3838  O   ALA D  76     -16.371 -24.793  -7.251  1.00 39.55           O  
+ATOM   3839  CB  ALA D  76     -18.034 -22.779  -9.158  1.00 52.59           C  
+ATOM   3840  N   HIS D  77     -15.221 -22.931  -7.252  1.00 34.88           N  
+ATOM   3841  CA  HIS D  77     -14.175 -23.705  -7.014  1.00 37.75           C  
+ATOM   3842  C   HIS D  77     -12.911 -22.947  -6.253  1.00 36.30           C  
+ATOM   3843  O   HIS D  77     -11.715 -22.807  -6.207  1.00 30.91           O  
+ATOM   3844  CB  HIS D  77     -13.016 -23.968  -8.303  1.00 35.95           C  
+ATOM   3845  CG  HIS D  77     -13.662 -24.672  -9.381  1.00 39.15           C  
+ATOM   3846  ND1 HIS D  77     -14.327 -23.756 -10.232  1.00 58.22           N  
+ATOM   3847  CD2 HIS D  77     -13.455 -26.062  -9.566  1.00 48.66           C  
+ATOM   3848  CE1 HIS D  77     -15.214 -25.034 -11.337  1.00 49.77           C  
+ATOM   3849  NE2 HIS D  77     -14.945 -25.798 -10.683  1.00 36.55           N  
+ATOM   3850  N   LEU D  78     -13.652 -22.590  -4.941  1.00 30.38           N  
+ATOM   3851  CA  LEU D  78     -13.049 -22.225  -3.904  1.00 35.53           C  
+ATOM   3852  C   LEU D  78     -11.853 -22.307  -3.241  1.00 31.52           C  
+ATOM   3853  O   LEU D  78     -11.095 -21.930  -2.681  1.00 30.87           O  
+ATOM   3854  CB  LEU D  78     -14.166 -21.218  -2.929  1.00 35.71           C  
+ATOM   3855  CG  LEU D  78     -14.517 -19.696  -3.089  1.00 42.09           C  
+ATOM   3856  CD1 LEU D  78     -16.000 -19.812  -2.269  1.00 40.33           C  
+ATOM   3857  CD2 LEU D  78     -14.206 -18.936  -3.409  1.00 43.79           C  
+ATOM   3858  N   ASP D  79     -11.841 -23.798  -3.366  1.00 27.09           N  
+ATOM   3859  CA  ASP D  79     -10.671 -24.163  -2.603  1.00 39.93           C  
+ATOM   3860  C   ASP D  79      -9.351 -24.818  -3.691  1.00 38.31           C  
+ATOM   3861  O   ASP D  79      -8.220 -24.950  -3.380  1.00 37.24           O  
+ATOM   3862  CB  ASP D  79     -11.204 -25.807  -2.720  1.00 49.19           C  
+ATOM   3863  CG  ASP D  79     -12.348 -25.806  -2.280  1.00 60.14           C  
+ATOM   3864  OD1 ASP D  79     -12.747 -27.563  -1.436  1.00 58.54           O  
+ATOM   3865  OD2 ASP D  79     -11.720 -25.378  -0.450  1.00 49.76           O  
+ATOM   3866  N   ASN D  80      -9.928 -24.165  -4.813  1.00 33.30           N  
+ATOM   3867  CA  ASN D  80      -8.432 -24.074  -5.725  1.00 41.52           C  
+ATOM   3868  C   ASN D  80      -8.757 -22.972  -7.024  1.00 29.72           C  
+ATOM   3869  O   ASN D  80      -8.410 -23.186  -8.009  1.00 26.63           O  
+ATOM   3870  CB  ASN D  80      -8.335 -25.027  -6.387  1.00 65.88           C  
+ATOM   3871  CG  ASN D  80      -8.226 -26.006  -7.178  1.00 79.70           C  
+ATOM   3872  OD1 ASN D  80      -6.646 -26.141  -7.665  1.00 64.12           O  
+ATOM   3873  ND2 ASN D  80      -9.445 -26.052  -7.340  1.00 80.04           N  
+ATOM   3874  N   LEU D  81      -8.454 -21.884  -6.206  1.00 24.36           N  
+ATOM   3875  CA  LEU D  81      -8.539 -20.715  -7.081  1.00 25.83           C  
+ATOM   3876  C   LEU D  81      -7.273 -20.637  -8.041  1.00 31.94           C  
+ATOM   3877  O   LEU D  81      -7.415 -20.270  -9.214  1.00 25.17           O  
+ATOM   3878  CB  LEU D  81      -8.579 -19.629  -6.126  1.00 20.37           C  
+ATOM   3879  CG  LEU D  81      -9.997 -19.259  -5.589  1.00 25.65           C  
+ATOM   3880  CD1 LEU D  81      -9.956 -18.414  -4.674  1.00 40.59           C  
+ATOM   3881  CD2 LEU D  81     -11.103 -19.225  -6.396  1.00 23.30           C  
+ATOM   3882  N   LYS D  82      -6.051 -20.893  -7.415  1.00 30.20           N  
+ATOM   3883  CA  LYS D  82      -4.933 -20.852  -8.394  1.00 28.24           C  
+ATOM   3884  C   LYS D  82      -5.124 -21.707  -9.528  1.00 33.91           C  
+ATOM   3885  O   LYS D  82      -4.821 -21.459 -10.648  1.00 25.48           O  
+ATOM   3886  CB  LYS D  82      -3.611 -21.239  -7.521  1.00 33.73           C  
+ATOM   3887  CG  LYS D  82      -3.123 -20.210  -6.921  1.00 40.61           C  
+ATOM   3888  CD  LYS D  82      -1.453 -20.533  -6.100  1.00 64.29           C  
+ATOM   3889  CE  LYS D  82      -2.245 -18.592  -4.901  1.00 50.61           C  
+ATOM   3890  NZ  LYS D  82      -1.640 -20.210  -4.012  1.00 57.77           N  
+ATOM   3891  N   GLY D  83      -5.684 -23.133  -9.543  1.00 30.21           N  
+ATOM   3892  CA  GLY D  83      -5.556 -24.039 -10.631  1.00 23.41           C  
+ATOM   3893  C   GLY D  83      -6.710 -23.708 -11.373  1.00 31.79           C  
+ATOM   3894  O   GLY D  83      -6.545 -23.384 -12.827  1.00 27.38           O  
+ATOM   3895  N   THR D  84      -7.929 -22.850 -10.943  1.00 27.06           N  
+ATOM   3896  CA  THR D  84      -8.896 -22.475 -11.769  1.00 31.17           C  
+ATOM   3897  C   THR D  84      -8.254 -21.368 -12.862  1.00 35.08           C  
+ATOM   3898  O   THR D  84      -9.023 -21.163 -13.732  1.00 26.93           O  
+ATOM   3899  CB  THR D  84     -10.186 -21.934 -10.990  1.00 26.68           C  
+ATOM   3900  OG1 THR D  84     -10.450 -22.939 -10.341  1.00 41.82           O  
+ATOM   3901  CG2 THR D  84     -11.436 -21.350 -11.615  1.00 32.36           C  
+ATOM   3902  N   PHE D  85      -7.713 -20.405 -12.026  1.00 23.78           N  
+ATOM   3903  CA  PHE D  85      -7.538 -18.984 -12.806  1.00 17.94           C  
+ATOM   3904  C   PHE D  85      -6.138 -19.115 -13.564  1.00 20.32           C  
+ATOM   3905  O   PHE D  85      -5.528 -18.116 -14.137  1.00 18.46           O  
+ATOM   3906  CB  PHE D  85      -7.425 -17.913 -11.819  1.00 16.82           C  
+ATOM   3907  CG  PHE D  85      -8.885 -17.567 -11.680  1.00 15.41           C  
+ATOM   3908  CD1 PHE D  85      -9.422 -17.861 -10.346  1.00 21.43           C  
+ATOM   3909  CD2 PHE D  85      -9.605 -16.833 -12.552  1.00 29.52           C  
+ATOM   3910  CE1 PHE D  85     -10.820 -17.512  -9.993  1.00 27.35           C  
+ATOM   3911  CE2 PHE D  85     -11.060 -16.678 -12.198  1.00 23.38           C  
+ATOM   3912  CZ  PHE D  85     -11.788 -16.979 -10.988  1.00 20.96           C  
+ATOM   3913  N   ALA D  86      -5.306 -20.190 -13.510  1.00 16.78           N  
+ATOM   3914  CA  ALA D  86      -3.786 -20.129 -13.990  1.00 21.66           C  
+ATOM   3915  C   ALA D  86      -3.859 -19.751 -15.592  1.00 13.70           C  
+ATOM   3916  O   ALA D  86      -2.977 -18.900 -15.942  1.00 16.83           O  
+ATOM   3917  CB  ALA D  86      -3.276 -21.717 -14.150  1.00 23.60           C  
+ATOM   3918  N   THR D  87      -4.799 -20.235 -16.291  1.00 17.09           N  
+ATOM   3919  CA  THR D  87      -4.700 -19.770 -17.696  1.00 15.85           C  
+ATOM   3920  C   THR D  87      -4.913 -18.223 -17.934  1.00 17.61           C  
+ATOM   3921  O   THR D  87      -4.226 -17.589 -18.665  1.00 21.97           O  
+ATOM   3922  CB  THR D  87      -5.803 -20.551 -18.552  1.00 23.34           C  
+ATOM   3923  OG1 THR D  87      -5.495 -21.943 -18.388  1.00 26.37           O  
+ATOM   3924  CG2 THR D  87      -5.595 -20.344 -19.930  1.00 26.08           C  
+ATOM   3925  N   LEU D  88      -5.980 -17.807 -17.359  1.00 19.60           N  
+ATOM   3926  CA  LEU D  88      -6.271 -16.457 -17.415  1.00 18.18           C  
+ATOM   3927  C   LEU D  88      -5.187 -15.518 -16.684  1.00 15.66           C  
+ATOM   3928  O   LEU D  88      -4.841 -14.368 -17.168  1.00 16.54           O  
+ATOM   3929  CB  LEU D  88      -7.631 -16.058 -16.725  1.00 24.93           C  
+ATOM   3930  CG  LEU D  88      -8.806 -16.413 -17.604  1.00 29.68           C  
+ATOM   3931  CD1 LEU D  88      -9.913 -16.362 -16.626  1.00 33.11           C  
+ATOM   3932  CD2 LEU D  88      -8.780 -15.785 -18.779  1.00 21.96           C  
+ATOM   3933  N   SER D  89      -4.550 -16.190 -15.577  1.00 21.20           N  
+ATOM   3934  CA  SER D  89      -3.384 -15.545 -14.950  1.00 17.78           C  
+ATOM   3935  C   SER D  89      -2.295 -15.067 -15.986  1.00 16.70           C  
+ATOM   3936  O   SER D  89      -1.619 -14.055 -16.257  1.00 15.86           O  
+ATOM   3937  CB  SER D  89      -2.725 -16.272 -13.880  1.00 19.29           C  
+ATOM   3938  OG  SER D  89      -1.733 -15.529 -13.240  1.00 14.95           O  
+ATOM   3939  N   GLU D  90      -1.806 -16.218 -16.719  1.00 15.58           N  
+ATOM   3940  CA  GLU D  90      -0.961 -16.101 -17.900  1.00 21.65           C  
+ATOM   3941  C   GLU D  90      -1.319 -15.129 -19.030  1.00 13.57           C  
+ATOM   3942  O   GLU D  90      -0.576 -14.403 -19.451  1.00 18.38           O  
+ATOM   3943  CB  GLU D  90      -0.700 -17.640 -18.253  1.00 19.08           C  
+ATOM   3944  CG  GLU D  90       0.585 -17.390 -19.009  1.00 38.09           C  
+ATOM   3945  CD  GLU D  90       0.916 -19.788 -19.196  1.00 62.85           C  
+ATOM   3946  OE1 GLU D  90       0.495 -19.279 -20.696  1.00 54.38           O  
+ATOM   3947  OE2 GLU D  90      -0.172 -20.134 -18.632  1.00 49.69           O  
+ATOM   3948  N   LEU D  91      -2.614 -15.260 -19.279  1.00 12.64           N  
+ATOM   3949  CA  LEU D  91      -2.918 -14.282 -20.199  1.00 11.29           C  
+ATOM   3950  C   LEU D  91      -2.769 -12.767 -19.975  1.00 14.82           C  
+ATOM   3951  O   LEU D  91      -2.486 -11.814 -20.708  1.00 14.36           O  
+ATOM   3952  CB  LEU D  91      -4.443 -14.616 -20.526  1.00 13.30           C  
+ATOM   3953  CG  LEU D  91      -5.325 -13.643 -21.412  1.00 17.13           C  
+ATOM   3954  CD1 LEU D  91      -4.702 -13.618 -23.000  1.00 25.95           C  
+ATOM   3955  CD2 LEU D  91      -6.752 -13.787 -21.472  1.00 20.87           C  
+ATOM   3956  N   HIS D  92      -3.278 -12.509 -18.598  1.00 14.55           N  
+ATOM   3957  CA  HIS D  92      -3.429 -10.968 -18.356  1.00 18.41           C  
+ATOM   3958  C   HIS D  92      -1.750 -10.659 -17.942  1.00 25.22           C  
+ATOM   3959  O   HIS D  92      -1.542  -9.487 -18.276  1.00 15.09           O  
+ATOM   3960  CB  HIS D  92      -3.870 -11.061 -16.956  1.00 16.94           C  
+ATOM   3961  CG  HIS D  92      -5.443 -10.779 -17.044  1.00 14.87           C  
+ATOM   3962  ND1 HIS D  92      -6.226 -12.088 -17.324  1.00 14.65           N  
+ATOM   3963  CD2 HIS D  92      -6.494  -9.930 -17.027  1.00 12.93           C  
+ATOM   3964  CE1 HIS D  92      -7.513 -11.488 -17.344  1.00 12.97           C  
+ATOM   3965  NE2 HIS D  92      -7.794 -10.264 -17.456  1.00 18.10           N  
+ATOM   3966  N   CYS D  93      -0.853 -11.610 -17.750  1.00 16.12           N  
+ATOM   3967  CA  CYS D  93       0.671 -11.156 -17.799  1.00 16.35           C  
+ATOM   3968  C   CYS D  93       1.184 -10.895 -19.303  1.00 18.55           C  
+ATOM   3969  O   CYS D  93       1.616  -9.948 -19.471  1.00 17.22           O  
+ATOM   3970  CB  CYS D  93       1.177 -12.201 -16.844  1.00 20.93           C  
+ATOM   3971  SG  CYS D  93       3.106 -11.680 -16.838  1.00 18.90           S  
+ATOM   3972  N   ASP D  94       1.071 -12.148 -19.853  1.00 14.32           N  
+ATOM   3973  CA  ASP D  94       2.076 -12.170 -21.195  1.00 16.01           C  
+ATOM   3974  C   ASP D  94       1.351 -11.461 -22.242  1.00 19.68           C  
+ATOM   3975  O   ASP D  94       1.981 -11.016 -23.089  1.00 27.14           O  
+ATOM   3976  CB  ASP D  94       2.163 -13.661 -21.334  1.00 20.44           C  
+ATOM   3977  CG  ASP D  94       3.220 -14.533 -20.409  1.00 36.43           C  
+ATOM   3978  OD1 ASP D  94       3.523 -13.728 -19.788  1.00 32.86           O  
+ATOM   3979  OD2 ASP D  94       2.735 -15.960 -20.657  1.00 40.09           O  
+ATOM   3980  N   LYS D  95       0.079 -11.509 -22.378  1.00 14.90           N  
+ATOM   3981  CA  LYS D  95      -0.657 -10.830 -23.618  1.00 16.76           C  
+ATOM   3982  C   LYS D  95      -1.037  -9.542 -23.369  1.00 18.82           C  
+ATOM   3983  O   LYS D  95      -1.025  -8.517 -23.887  1.00 19.72           O  
+ATOM   3984  CB  LYS D  95      -1.739 -11.719 -24.171  1.00 24.57           C  
+ATOM   3985  CG  LYS D  95      -1.405 -13.254 -24.270  1.00 49.61           C  
+ATOM   3986  CD  LYS D  95       0.033 -12.822 -25.830  1.00 60.17           C  
+ATOM   3987  CE  LYS D  95       0.875 -13.698 -26.541  1.00 57.82           C  
+ATOM   3988  NZ  LYS D  95       1.951 -12.652 -27.842  1.00 59.53           N  
+ATOM   3989  N   LEU D  96      -1.816  -9.347 -21.943  1.00 16.80           N  
+ATOM   3990  CA  LEU D  96      -2.489  -8.095 -21.711  1.00 16.58           C  
+ATOM   3991  C   LEU D  96      -1.557  -6.998 -20.981  1.00 16.01           C  
+ATOM   3992  O   LEU D  96      -2.025  -5.870 -20.986  1.00 15.73           O  
+ATOM   3993  CB  LEU D  96      -3.813  -8.447 -21.040  1.00 21.01           C  
+ATOM   3994  CG  LEU D  96      -4.799  -9.421 -21.657  1.00 22.06           C  
+ATOM   3995  CD1 LEU D  96      -6.039  -9.748 -20.763  1.00 15.50           C  
+ATOM   3996  CD2 LEU D  96      -5.152  -8.823 -22.921  1.00 34.04           C  
+ATOM   3997  N   HIS D  97      -0.781  -7.579 -20.217  1.00 18.03           N  
+ATOM   3998  CA  HIS D  97       0.244  -6.637 -19.580  1.00 18.48           C  
+ATOM   3999  C   HIS D  97      -0.432  -5.796 -18.443  1.00 13.60           C  
+ATOM   4000  O   HIS D  97      -0.253  -4.620 -18.215  1.00 15.07           O  
+ATOM   4001  CB  HIS D  97       0.990  -5.653 -20.400  1.00 24.24           C  
+ATOM   4002  CG  HIS D  97       1.776  -6.391 -21.656  1.00 28.24           C  
+ATOM   4003  ND1 HIS D  97       2.554  -7.432 -21.385  1.00 26.25           N  
+ATOM   4004  CD2 HIS D  97       1.271  -6.244 -22.910  1.00 35.10           C  
+ATOM   4005  CE1 HIS D  97       3.136  -7.961 -22.703  1.00 25.85           C  
+ATOM   4006  NE2 HIS D  97       2.325  -7.208 -23.322  1.00 28.28           N  
+ATOM   4007  N   VAL D  98      -1.455  -6.545 -17.703  1.00 15.21           N  
+ATOM   4008  CA  VAL D  98      -2.210  -5.794 -16.736  1.00 14.55           C  
+ATOM   4009  C   VAL D  98      -1.489  -5.841 -15.285  1.00 10.52           C  
+ATOM   4010  O   VAL D  98      -1.368  -7.002 -14.827  1.00 11.77           O  
+ATOM   4011  CB  VAL D  98      -3.549  -6.468 -16.502  1.00 15.30           C  
+ATOM   4012  CG1 VAL D  98      -4.339  -5.933 -15.325  1.00 15.30           C  
+ATOM   4013  CG2 VAL D  98      -4.285  -6.152 -17.968  1.00 17.14           C  
+ATOM   4014  N   ASP D  99      -1.167  -4.730 -14.701  1.00  9.86           N  
+ATOM   4015  CA  ASP D  99      -0.610  -4.765 -13.282  1.00 10.99           C  
+ATOM   4016  C   ASP D  99      -1.652  -5.465 -12.445  1.00 12.34           C  
+ATOM   4017  O   ASP D  99      -2.837  -4.921 -12.433  1.00 15.90           O  
+ATOM   4018  CB  ASP D  99      -0.421  -3.334 -12.976  1.00 12.59           C  
+ATOM   4019  CG  ASP D  99       0.231  -3.018 -11.481  1.00 12.64           C  
+ATOM   4020  OD1 ASP D  99       0.529  -1.770 -11.464  1.00 11.35           O  
+ATOM   4021  OD2 ASP D  99       0.421  -4.097 -10.818  1.00 14.04           O  
+ATOM   4022  N   PRO D 100      -1.293  -6.422 -11.755  1.00 16.57           N  
+ATOM   4023  CA  PRO D 100      -2.075  -7.130 -10.712  1.00 11.14           C  
+ATOM   4024  C   PRO D 100      -2.767  -6.164  -9.672  1.00 11.03           C  
+ATOM   4025  O   PRO D 100      -3.730  -6.728  -9.131  1.00 12.40           O  
+ATOM   4026  CB  PRO D 100      -1.455  -8.509 -10.454  1.00 18.57           C  
+ATOM   4027  CG  PRO D 100      -0.120  -8.351 -10.644  1.00 16.52           C  
+ATOM   4028  CD  PRO D 100       0.008  -7.085 -11.678  1.00 15.61           C  
+ATOM   4029  N   GLU D 101      -2.120  -5.022  -9.432  1.00  9.29           N  
+ATOM   4030  CA  GLU D 101      -2.721  -4.184  -8.535  1.00 12.45           C  
+ATOM   4031  C   GLU D 101      -4.150  -3.766  -8.894  1.00 20.07           C  
+ATOM   4032  O   GLU D 101      -5.139  -3.640  -8.044  1.00 15.47           O  
+ATOM   4033  CB  GLU D 101      -1.898  -2.971  -8.352  1.00 18.48           C  
+ATOM   4034  CG  GLU D 101      -2.751  -1.912  -7.301  1.00 30.49           C  
+ATOM   4035  CD  GLU D 101      -2.928  -2.595  -5.361  1.00 32.99           C  
+ATOM   4036  OE1 GLU D 101      -1.814  -3.251  -5.501  1.00 22.72           O  
+ATOM   4037  OE2 GLU D 101      -3.790  -1.433  -5.275  1.00 37.16           O  
+ATOM   4038  N   ASN D 102      -4.416  -3.866 -10.222  1.00 14.86           N  
+ATOM   4039  CA  ASN D 102      -5.827  -3.553 -10.820  1.00 14.38           C  
+ATOM   4040  C   ASN D 102      -6.730  -4.706 -10.375  1.00 12.83           C  
+ATOM   4041  O   ASN D 102      -8.073  -4.305 -10.051  1.00 15.98           O  
+ATOM   4042  CB  ASN D 102      -5.825  -3.726 -12.202  1.00 15.85           C  
+ATOM   4043  CG  ASN D 102      -5.178  -2.418 -12.728  1.00 20.86           C  
+ATOM   4044  OD1 ASN D 102      -5.594  -1.386 -12.707  1.00 17.49           O  
+ATOM   4045  ND2 ASN D 102      -3.900  -2.610 -13.401  1.00 22.52           N  
+ATOM   4046  N   PHE D 103      -6.450  -5.902 -10.088  1.00 11.06           N  
+ATOM   4047  CA  PHE D 103      -7.223  -7.062  -9.594  1.00 11.10           C  
+ATOM   4048  C   PHE D 103      -7.838  -6.627  -8.138  1.00 14.83           C  
+ATOM   4049  O   PHE D 103      -9.038  -6.926  -7.755  1.00 12.07           O  
+ATOM   4050  CB  PHE D 103      -6.641  -8.378  -9.453  1.00 14.26           C  
+ATOM   4051  CG  PHE D 103      -5.978  -8.685 -10.884  1.00 14.43           C  
+ATOM   4052  CD1 PHE D 103      -6.722  -8.442 -12.150  1.00 22.91           C  
+ATOM   4053  CD2 PHE D 103      -4.777  -9.418 -10.920  1.00 19.84           C  
+ATOM   4054  CE1 PHE D 103      -6.285  -8.812 -13.376  1.00 22.48           C  
+ATOM   4055  CE2 PHE D 103      -4.350  -9.752 -12.200  1.00 13.44           C  
+ATOM   4056  CZ  PHE D 103      -4.988  -9.426 -13.435  1.00 16.91           C  
+ATOM   4057  N   ARG D 104      -6.979  -6.041  -7.313  1.00 14.96           N  
+ATOM   4058  CA  ARG D 104      -7.236  -5.640  -5.946  1.00 18.64           C  
+ATOM   4059  C   ARG D 104      -8.352  -4.439  -5.984  1.00 17.76           C  
+ATOM   4060  O   ARG D 104      -9.251  -4.482  -5.206  1.00 14.29           O  
+ATOM   4061  CB  ARG D 104      -5.925  -5.205  -5.097  1.00 19.67           C  
+ATOM   4062  CG  ARG D 104      -5.188  -6.366  -5.055  1.00 39.66           C  
+ATOM   4063  CD  ARG D 104      -3.686  -6.042  -4.324  1.00 67.99           C  
+ATOM   4064  NE  ARG D 104      -3.285  -7.833  -4.405  1.00 67.11           N  
+ATOM   4065  CZ  ARG D 104      -0.829  -7.130  -4.074  1.00 80.12           C  
+ATOM   4066  NH1 ARG D 104      -1.228  -5.714  -3.904  1.00 77.56           N  
+ATOM   4067  NH2 ARG D 104      -1.024  -7.904  -3.149  1.00 80.12           N  
+ATOM   4068  N   LEU D 105      -8.019  -3.490  -6.857  1.00 14.78           N  
+ATOM   4069  CA  LEU D 105      -8.933  -2.377  -6.997  1.00 11.66           C  
+ATOM   4070  C   LEU D 105     -10.366  -2.815  -7.384  1.00 13.52           C  
+ATOM   4071  O   LEU D 105     -11.325  -2.484  -6.781  1.00 12.56           O  
+ATOM   4072  CB  LEU D 105      -8.385  -1.463  -7.865  1.00 16.32           C  
+ATOM   4073  CG  LEU D 105      -7.155  -0.533  -7.691  1.00 23.61           C  
+ATOM   4074  CD1 LEU D 105      -6.564   0.347  -8.601  1.00 25.65           C  
+ATOM   4075  CD2 LEU D 105      -7.175  -0.008  -6.272  1.00 30.28           C  
+ATOM   4076  N   LEU D 106     -10.388  -3.731  -8.359  1.00 11.11           N  
+ATOM   4077  CA  LEU D 106     -11.776  -4.169  -8.774  1.00 10.81           C  
+ATOM   4078  C   LEU D 106     -12.425  -4.909  -7.735  1.00  7.04           C  
+ATOM   4079  O   LEU D 106     -13.596  -4.860  -7.508  1.00  8.65           O  
+ATOM   4080  CB  LEU D 106     -11.565  -5.136  -9.996  1.00 12.84           C  
+ATOM   4081  CG  LEU D 106     -12.908  -5.591 -10.559  1.00 16.25           C  
+ATOM   4082  CD1 LEU D 106     -13.855  -4.506 -11.046  1.00 16.77           C  
+ATOM   4083  CD2 LEU D 106     -12.516  -6.548 -11.540  1.00 20.04           C  
+ATOM   4084  N   GLY D 107     -11.735  -5.688  -6.939  1.00 12.52           N  
+ATOM   4085  CA  GLY D 107     -12.179  -6.516  -5.777  1.00 16.15           C  
+ATOM   4086  C   GLY D 107     -12.899  -5.574  -4.792  1.00 14.99           C  
+ATOM   4087  O   GLY D 107     -14.015  -5.773  -4.332  1.00 12.81           O  
+ATOM   4088  N   ASN D 108     -12.285  -4.436  -4.514  1.00 12.36           N  
+ATOM   4089  CA  ASN D 108     -12.802  -3.491  -3.621  1.00 14.00           C  
+ATOM   4090  C   ASN D 108     -13.963  -2.724  -4.098  1.00 11.43           C  
+ATOM   4091  O   ASN D 108     -15.056  -2.507  -3.385  1.00 12.39           O  
+ATOM   4092  CB  ASN D 108     -11.844  -2.454  -3.053  1.00 18.57           C  
+ATOM   4093  CG  ASN D 108     -10.617  -3.293  -1.988  1.00 22.26           C  
+ATOM   4094  OD1 ASN D 108     -11.199  -4.293  -1.311  1.00 22.78           O  
+ATOM   4095  ND2 ASN D 108      -9.853  -2.344  -1.843  1.00 30.03           N  
+ATOM   4096  N   VAL D 109     -13.924  -2.387  -5.385  1.00 10.09           N  
+ATOM   4097  CA  VAL D 109     -15.064  -1.848  -6.032  1.00  8.21           C  
+ATOM   4098  C   VAL D 109     -16.234  -2.783  -6.101  1.00  9.89           C  
+ATOM   4099  O   VAL D 109     -17.335  -2.321  -5.728  1.00 11.76           O  
+ATOM   4100  CB  VAL D 109     -14.656  -1.351  -7.492  1.00 11.59           C  
+ATOM   4101  CG1 VAL D 109     -15.861  -0.846  -8.320  1.00 17.96           C  
+ATOM   4102  CG2 VAL D 109     -13.771  -0.178  -7.377  1.00 17.98           C  
+ATOM   4103  N   LEU D 110     -15.952  -4.083  -6.403  1.00  9.62           N  
+ATOM   4104  CA  LEU D 110     -17.024  -5.059  -6.369  1.00 14.08           C  
+ATOM   4105  C   LEU D 110     -17.831  -5.035  -5.141  1.00 11.97           C  
+ATOM   4106  O   LEU D 110     -19.008  -5.257  -4.826  1.00 10.97           O  
+ATOM   4107  CB  LEU D 110     -16.600  -6.309  -6.770  1.00 15.34           C  
+ATOM   4108  CG  LEU D 110     -17.478  -7.458  -6.761  1.00 14.97           C  
+ATOM   4109  CD1 LEU D 110     -18.670  -7.282  -7.592  1.00 23.21           C  
+ATOM   4110  CD2 LEU D 110     -16.862  -8.829  -7.132  1.00 26.92           C  
+ATOM   4111  N   VAL D 111     -16.932  -5.013  -3.909  1.00 14.50           N  
+ATOM   4112  CA  VAL D 111     -17.557  -5.003  -2.482  1.00 11.82           C  
+ATOM   4113  C   VAL D 111     -18.496  -3.835  -2.339  1.00 14.01           C  
+ATOM   4114  O   VAL D 111     -19.560  -3.938  -1.746  1.00 12.03           O  
+ATOM   4115  CB  VAL D 111     -16.468  -5.174  -1.423  1.00 12.62           C  
+ATOM   4116  CG1 VAL D 111     -17.105  -4.887  -0.077  1.00 15.85           C  
+ATOM   4117  CG2 VAL D 111     -15.845  -6.615  -1.505  1.00 10.77           C  
+ATOM   4118  N   CYS D 112     -17.954  -2.598  -2.876  1.00 13.62           N  
+ATOM   4119  CA  CYS D 112     -18.674  -1.428  -2.875  1.00 13.72           C  
+ATOM   4120  C   CYS D 112     -20.245  -1.545  -3.397  1.00 20.10           C  
+ATOM   4121  O   CYS D 112     -21.199  -1.153  -2.984  1.00 16.56           O  
+ATOM   4122  CB  CYS D 112     -18.077  -0.213  -3.441  1.00 12.95           C  
+ATOM   4123  SG  CYS D 112     -16.890   0.371  -2.238  1.00 15.21           S  
+ATOM   4124  N   VAL D 113     -20.090  -2.259  -4.565  1.00 17.02           N  
+ATOM   4125  CA  VAL D 113     -21.229  -2.476  -5.537  1.00 12.28           C  
+ATOM   4126  C   VAL D 113     -22.216  -3.415  -4.943  1.00 12.56           C  
+ATOM   4127  O   VAL D 113     -23.393  -3.166  -4.833  1.00 15.84           O  
+ATOM   4128  CB  VAL D 113     -20.819  -3.012  -6.914  1.00 17.85           C  
+ATOM   4129  CG1 VAL D 113     -22.007  -3.440  -7.657  1.00 18.74           C  
+ATOM   4130  CG2 VAL D 113     -20.123  -1.688  -7.807  1.00 21.41           C  
+ATOM   4131  N   LEU D 114     -21.799  -4.480  -4.273  1.00 10.75           N  
+ATOM   4132  CA  LEU D 114     -22.611  -5.453  -3.526  1.00 10.78           C  
+ATOM   4133  C   LEU D 114     -23.336  -4.689  -2.455  1.00 19.00           C  
+ATOM   4134  O   LEU D 114     -24.454  -4.811  -2.196  1.00 11.46           O  
+ATOM   4135  CB  LEU D 114     -21.815  -6.582  -3.114  1.00 14.56           C  
+ATOM   4136  CG  LEU D 114     -21.183  -7.401  -4.241  1.00 17.11           C  
+ATOM   4137  CD1 LEU D 114     -20.368  -8.591  -3.652  1.00 17.06           C  
+ATOM   4138  CD2 LEU D 114     -22.473  -8.135  -5.021  1.00 20.86           C  
+ATOM   4139  N   ALA D 115     -22.573  -3.965  -1.677  1.00 11.71           N  
+ATOM   4140  CA  ALA D 115     -23.177  -3.124  -0.512  1.00 11.69           C  
+ATOM   4141  C   ALA D 115     -24.286  -2.193  -1.056  1.00 15.12           C  
+ATOM   4142  O   ALA D 115     -25.190  -2.078  -0.405  1.00 15.47           O  
+ATOM   4143  CB  ALA D 115     -22.014  -2.336   0.283  1.00 12.28           C  
+ATOM   4144  N   HIS D 116     -23.996  -1.420  -2.116  1.00 15.03           N  
+ATOM   4145  CA  HIS D 116     -24.955  -0.497  -2.730  1.00 12.09           C  
+ATOM   4146  C   HIS D 116     -26.163  -1.244  -3.183  1.00 12.50           C  
+ATOM   4147  O   HIS D 116     -27.367  -0.733  -2.977  1.00 15.93           O  
+ATOM   4148  CB  HIS D 116     -24.260   0.137  -3.930  1.00 20.66           C  
+ATOM   4149  CG  HIS D 116     -25.177   1.236  -4.511  1.00 27.72           C  
+ATOM   4150  ND1 HIS D 116     -25.302   1.194  -5.752  1.00 29.99           N  
+ATOM   4151  CD2 HIS D 116     -25.633   2.207  -3.823  1.00 30.96           C  
+ATOM   4152  CE1 HIS D 116     -26.002   2.415  -6.103  1.00 27.26           C  
+ATOM   4153  NE2 HIS D 116     -26.344   3.000  -4.762  1.00 28.89           N  
+ATOM   4154  N   HIS D 117     -26.018  -2.363  -3.828  1.00 13.33           N  
+ATOM   4155  CA  HIS D 117     -27.076  -3.136  -4.425  1.00 15.24           C  
+ATOM   4156  C   HIS D 117     -27.870  -3.712  -3.255  1.00 17.50           C  
+ATOM   4157  O   HIS D 117     -29.133  -3.855  -3.315  1.00 16.06           O  
+ATOM   4158  CB  HIS D 117     -26.496  -4.135  -5.434  1.00 17.22           C  
+ATOM   4159  CG  HIS D 117     -27.385  -4.774  -6.024  1.00 54.91           C  
+ATOM   4160  ND1 HIS D 117     -28.250  -3.991  -7.312  1.00 47.40           N  
+ATOM   4161  CD2 HIS D 117     -28.517  -5.901  -5.930  1.00 49.34           C  
+ATOM   4162  CE1 HIS D 117     -29.253  -5.278  -7.522  1.00 48.36           C  
+ATOM   4163  NE2 HIS D 117     -29.230  -6.041  -6.924  1.00 37.10           N  
+ATOM   4164  N   PHE D 118     -27.360  -4.464  -2.297  1.00 14.50           N  
+ATOM   4165  CA  PHE D 118     -28.031  -5.299  -1.218  1.00 19.30           C  
+ATOM   4166  C   PHE D 118     -28.313  -4.501  -0.028  1.00 20.52           C  
+ATOM   4167  O   PHE D 118     -29.066  -5.081   0.915  1.00 18.09           O  
+ATOM   4168  CB  PHE D 118     -27.213  -6.481  -0.908  1.00 18.97           C  
+ATOM   4169  CG  PHE D 118     -27.223  -7.413  -2.204  1.00 18.93           C  
+ATOM   4170  CD1 PHE D 118     -26.304  -7.801  -3.109  1.00 24.34           C  
+ATOM   4171  CD2 PHE D 118     -28.509  -8.118  -2.367  1.00 26.48           C  
+ATOM   4172  CE1 PHE D 118     -26.170  -8.548  -4.227  1.00 20.81           C  
+ATOM   4173  CE2 PHE D 118     -28.524  -8.992  -3.636  1.00 22.90           C  
+ATOM   4174  CZ  PHE D 118     -27.563  -8.928  -4.575  1.00 38.52           C  
+ATOM   4175  N   GLY D 119     -27.754  -3.376   0.316  1.00 12.95           N  
+ATOM   4176  CA  GLY D 119     -28.196  -2.563   1.458  1.00 17.60           C  
+ATOM   4177  C   GLY D 119     -27.642  -3.404   2.740  1.00 22.58           C  
+ATOM   4178  O   GLY D 119     -26.745  -4.123   2.946  1.00 17.60           O  
+ATOM   4179  N   LYS D 120     -28.738  -3.418   3.697  1.00 21.46           N  
+ATOM   4180  CA  LYS D 120     -28.403  -3.844   5.025  1.00 20.05           C  
+ATOM   4181  C   LYS D 120     -28.472  -5.257   5.045  1.00 21.98           C  
+ATOM   4182  O   LYS D 120     -27.730  -5.889   5.925  1.00 18.57           O  
+ATOM   4183  CB  LYS D 120     -29.674  -3.273   5.899  1.00 27.28           C  
+ATOM   4184  CG  LYS D 120     -30.525  -4.321   5.995  1.00 44.07           C  
+ATOM   4185  CD  LYS D 120     -31.907  -4.631   6.867  1.00 48.21           C  
+ATOM   4186  CE  LYS D 120     -33.041  -5.118   5.873  1.00 53.23           C  
+ATOM   4187  NZ  LYS D 120     -34.578  -6.152   7.224  1.00 62.54           N  
+ATOM   4188  N   GLU D 121     -28.504  -6.080   4.008  1.00 25.88           N  
+ATOM   4189  CA  GLU D 121     -28.273  -7.343   3.934  1.00 20.02           C  
+ATOM   4190  C   GLU D 121     -26.675  -7.822   3.749  1.00 18.96           C  
+ATOM   4191  O   GLU D 121     -26.335  -8.975   4.074  1.00 16.05           O  
+ATOM   4192  CB  GLU D 121     -29.032  -8.153   2.527  1.00 28.13           C  
+ATOM   4193  CG  GLU D 121     -28.995  -9.238   2.561  1.00 40.20           C  
+ATOM   4194  CD  GLU D 121     -30.346 -10.237   1.461  1.00 49.97           C  
+ATOM   4195  OE1 GLU D 121     -29.357 -11.293   1.004  1.00 36.73           O  
+ATOM   4196  OE2 GLU D 121     -30.336  -9.346   0.552  1.00 38.86           O  
+ATOM   4197  N   PHE D 122     -26.073  -6.783   3.271  1.00 14.83           N  
+ATOM   4198  CA  PHE D 122     -24.573  -7.060   3.133  1.00 20.37           C  
+ATOM   4199  C   PHE D 122     -23.961  -6.641   4.530  1.00 15.94           C  
+ATOM   4200  O   PHE D 122     -23.307  -5.592   4.698  1.00 17.73           O  
+ATOM   4201  CB  PHE D 122     -24.256  -6.093   2.128  1.00 14.63           C  
+ATOM   4202  CG  PHE D 122     -22.862  -6.484   1.494  1.00 12.39           C  
+ATOM   4203  CD1 PHE D 122     -22.569  -7.575   0.927  1.00 14.73           C  
+ATOM   4204  CD2 PHE D 122     -21.593  -5.712   1.717  1.00 15.96           C  
+ATOM   4205  CE1 PHE D 122     -21.227  -8.021   0.354  1.00 19.03           C  
+ATOM   4206  CE2 PHE D 122     -20.268  -6.011   1.383  1.00 16.31           C  
+ATOM   4207  CZ  PHE D 122     -20.290  -7.145   0.714  1.00 19.86           C  
+ATOM   4208  N   THR D 123     -24.154  -7.525   5.413  1.00 12.54           N  
+ATOM   4209  CA  THR D 123     -23.654  -7.132   6.808  1.00 13.34           C  
+ATOM   4210  C   THR D 123     -22.221  -7.283   6.854  1.00 15.73           C  
+ATOM   4211  O   THR D 123     -21.546  -7.802   6.060  1.00 13.84           O  
+ATOM   4212  CB  THR D 123     -24.160  -8.212   7.778  1.00 17.72           C  
+ATOM   4213  OG1 THR D 123     -23.892  -9.520   7.414  1.00 19.04           O  
+ATOM   4214  CG2 THR D 123     -25.951  -8.264   7.657  1.00 20.06           C  
+ATOM   4215  N   PRO D 124     -21.722  -6.789   8.010  1.00 17.46           N  
+ATOM   4216  CA  PRO D 124     -20.251  -6.940   8.311  1.00 14.41           C  
+ATOM   4217  C   PRO D 124     -19.706  -8.259   8.132  1.00 12.05           C  
+ATOM   4218  O   PRO D 124     -18.668  -8.405   7.486  1.00 13.28           O  
+ATOM   4219  CB  PRO D 124     -20.088  -6.243   9.615  1.00 14.54           C  
+ATOM   4220  CG  PRO D 124     -21.223  -5.227   9.715  1.00 15.93           C  
+ATOM   4221  CD  PRO D 124     -22.358  -6.045   9.113  1.00 14.57           C  
+ATOM   4222  N   PRO D 125     -20.257  -9.372   8.599  1.00 11.40           N  
+ATOM   4223  CA  PRO D 125     -19.807 -10.596   8.366  1.00 17.87           C  
+ATOM   4224  C   PRO D 125     -19.690 -11.236   6.993  1.00 15.21           C  
+ATOM   4225  O   PRO D 125     -18.781 -11.857   6.488  1.00 14.41           O  
+ATOM   4226  CB  PRO D 125     -20.651 -11.465   9.240  1.00 23.30           C  
+ATOM   4227  CG  PRO D 125     -21.148 -10.683  10.183  1.00 26.37           C  
+ATOM   4228  CD  PRO D 125     -21.413  -9.462   9.802  1.00 17.49           C  
+ATOM   4229  N   VAL D 126     -20.833 -10.714   6.263  1.00 17.66           N  
+ATOM   4230  CA  VAL D 126     -20.828 -11.114   4.812  1.00 21.55           C  
+ATOM   4231  C   VAL D 126     -19.574 -10.424   3.938  1.00 16.49           C  
+ATOM   4232  O   VAL D 126     -19.053 -10.988   3.156  1.00 13.46           O  
+ATOM   4233  CB  VAL D 126     -22.452 -10.640   4.161  1.00 13.98           C  
+ATOM   4234  CG1 VAL D 126     -22.335 -11.055   2.842  1.00 20.70           C  
+ATOM   4235  CG2 VAL D 126     -23.218 -11.661   4.994  1.00 18.54           C  
+ATOM   4236  N   GLN D 127     -19.567  -8.990   4.377  1.00 10.60           N  
+ATOM   4237  CA  GLN D 127     -18.404  -8.336   3.872  1.00 12.83           C  
+ATOM   4238  C   GLN D 127     -17.168  -9.034   3.964  1.00 13.74           C  
+ATOM   4239  O   GLN D 127     -16.333  -9.154   3.044  1.00 12.71           O  
+ATOM   4240  CB  GLN D 127     -18.494  -6.875   4.230  1.00 11.73           C  
+ATOM   4241  CG  GLN D 127     -17.167  -6.142   3.667  1.00 13.68           C  
+ATOM   4242  CD  GLN D 127     -16.957  -4.845   4.400  1.00 11.81           C  
+ATOM   4243  OE1 GLN D 127     -17.847  -4.243   5.015  1.00 13.99           O  
+ATOM   4244  NE2 GLN D 127     -15.920  -4.250   3.871  1.00 15.96           N  
+ATOM   4245  N   ALA D 128     -16.860  -9.470   5.254  1.00 12.61           N  
+ATOM   4246  CA  ALA D 128     -15.629 -10.118   5.636  1.00  9.64           C  
+ATOM   4247  C   ALA D 128     -15.294 -11.332   4.779  1.00  7.66           C  
+ATOM   4248  O   ALA D 128     -14.216 -11.498   4.302  1.00 11.68           O  
+ATOM   4249  CB  ALA D 128     -15.618 -10.468   7.105  1.00 13.80           C  
+ATOM   4250  N   ALA D 129     -16.442 -11.965   4.516  1.00 13.18           N  
+ATOM   4251  CA  ALA D 129     -16.351 -13.231   3.750  1.00 11.17           C  
+ATOM   4252  C   ALA D 129     -15.929 -12.840   2.277  1.00 11.52           C  
+ATOM   4253  O   ALA D 129     -15.098 -13.537   1.657  1.00 13.56           O  
+ATOM   4254  CB  ALA D 129     -17.591 -14.039   3.811  1.00 14.35           C  
+ATOM   4255  N   TYR D 130     -16.661 -11.959   1.697  1.00 13.36           N  
+ATOM   4256  CA  TYR D 130     -16.475 -11.445   0.343  1.00 13.72           C  
+ATOM   4257  C   TYR D 130     -15.053 -10.791   0.256  1.00 15.10           C  
+ATOM   4258  O   TYR D 130     -14.355 -11.020  -0.750  1.00 13.21           O  
+ATOM   4259  CB  TYR D 130     -17.422 -10.440  -0.057  1.00 13.30           C  
+ATOM   4260  CG  TYR D 130     -18.539 -11.158  -0.682  1.00 15.19           C  
+ATOM   4261  CD1 TYR D 130     -18.456 -11.539  -1.989  1.00 16.58           C  
+ATOM   4262  CD2 TYR D 130     -19.661 -11.646  -0.093  1.00 11.73           C  
+ATOM   4263  CE1 TYR D 130     -19.348 -12.381  -2.950  1.00 20.28           C  
+ATOM   4264  CE2 TYR D 130     -20.692 -12.412  -0.867  1.00 14.90           C  
+ATOM   4265  CZ  TYR D 130     -20.584 -12.824  -2.071  1.00 22.05           C  
+ATOM   4266  OH  TYR D 130     -21.522 -13.470  -2.725  1.00 20.92           O  
+ATOM   4267  N   GLN D 131     -14.583 -10.235   1.300  1.00 12.24           N  
+ATOM   4268  CA  GLN D 131     -13.174  -9.715   1.275  1.00 13.72           C  
+ATOM   4269  C   GLN D 131     -12.128 -10.656   1.064  1.00 20.69           C  
+ATOM   4270  O   GLN D 131     -11.251 -10.668   0.401  1.00 17.83           O  
+ATOM   4271  CB  GLN D 131     -12.830  -8.708   2.421  1.00 13.45           C  
+ATOM   4272  CG  GLN D 131     -13.616  -7.579   2.534  1.00 20.19           C  
+ATOM   4273  CD  GLN D 131     -13.161  -6.166   1.573  1.00 18.43           C  
+ATOM   4274  OE1 GLN D 131     -14.035  -5.385   1.692  1.00 14.48           O  
+ATOM   4275  NE2 GLN D 131     -12.233  -6.377   0.841  1.00 16.06           N  
+ATOM   4276  N   LYS D 132     -12.389 -11.876   1.744  1.00 12.67           N  
+ATOM   4277  CA  LYS D 132     -11.377 -12.991   1.725  1.00 15.63           C  
+ATOM   4278  C   LYS D 132     -11.407 -13.587   0.293  1.00 18.80           C  
+ATOM   4279  O   LYS D 132     -10.481 -13.843  -0.328  1.00 14.05           O  
+ATOM   4280  CB  LYS D 132     -11.780 -14.083   2.621  1.00 24.81           C  
+ATOM   4281  CG  LYS D 132     -11.356 -13.759   4.081  1.00 25.97           C  
+ATOM   4282  CD  LYS D 132     -11.952 -14.985   5.007  1.00 26.81           C  
+ATOM   4283  CE  LYS D 132     -12.396 -14.023   6.345  1.00 50.23           C  
+ATOM   4284  NZ  LYS D 132     -12.099 -16.364   7.125  1.00 63.38           N  
+ATOM   4285  N   VAL D 133     -12.646 -13.574  -0.320  1.00 13.42           N  
+ATOM   4286  CA  VAL D 133     -12.819 -14.186  -1.656  1.00 18.27           C  
+ATOM   4287  C   VAL D 133     -12.113 -13.235  -2.641  1.00 19.39           C  
+ATOM   4288  O   VAL D 133     -11.376 -13.757  -3.529  1.00 15.06           O  
+ATOM   4289  CB  VAL D 133     -14.347 -14.459  -2.009  1.00 17.40           C  
+ATOM   4290  CG1 VAL D 133     -14.482 -14.527  -3.527  1.00 22.79           C  
+ATOM   4291  CG2 VAL D 133     -14.897 -15.429  -1.020  1.00 19.90           C  
+ATOM   4292  N   VAL D 134     -12.419 -12.044  -2.631  1.00 14.66           N  
+ATOM   4293  CA  VAL D 134     -11.817 -11.184  -3.697  1.00 17.41           C  
+ATOM   4294  C   VAL D 134     -10.205 -10.998  -3.622  1.00 17.93           C  
+ATOM   4295  O   VAL D 134      -9.555 -11.088  -4.632  1.00 17.13           O  
+ATOM   4296  CB  VAL D 134     -12.523  -9.795  -3.826  1.00 16.69           C  
+ATOM   4297  CG1 VAL D 134     -13.942  -9.809  -3.996  1.00 22.42           C  
+ATOM   4298  CG2 VAL D 134     -12.135  -9.012  -2.596  1.00 16.30           C  
+ATOM   4299  N   ALA D 135      -9.754 -11.116  -2.425  1.00 16.25           N  
+ATOM   4300  CA  ALA D 135      -8.338 -11.031  -2.088  1.00 14.79           C  
+ATOM   4301  C   ALA D 135      -7.743 -12.494  -2.790  1.00 21.70           C  
+ATOM   4302  O   ALA D 135      -6.667 -12.571  -3.342  1.00 16.89           O  
+ATOM   4303  CB  ALA D 135      -7.946 -11.087  -0.719  1.00 18.34           C  
+ATOM   4304  N   GLY D 136      -8.430 -13.631  -2.593  1.00 17.40           N  
+ATOM   4305  CA  GLY D 136      -8.238 -14.854  -2.994  1.00 16.77           C  
+ATOM   4306  C   GLY D 136      -8.046 -14.863  -4.547  1.00 21.35           C  
+ATOM   4307  O   GLY D 136      -7.103 -15.386  -5.248  1.00 16.80           O  
+ATOM   4308  N   VAL D 137      -9.061 -14.287  -5.106  1.00 23.70           N  
+ATOM   4309  CA  VAL D 137      -9.117 -14.207  -6.516  1.00 26.49           C  
+ATOM   4310  C   VAL D 137      -8.271 -13.386  -7.311  1.00 33.07           C  
+ATOM   4311  O   VAL D 137      -7.434 -13.729  -8.023  1.00 30.90           O  
+ATOM   4312  CB  VAL D 137     -10.635 -13.731  -7.203  1.00 15.94           C  
+ATOM   4313  CG1 VAL D 137     -10.606 -13.355  -8.722  1.00 21.57           C  
+ATOM   4314  CG2 VAL D 137     -11.540 -14.757  -6.690  1.00 21.46           C  
+ATOM   4315  N   ALA D 138      -7.804 -12.254  -6.635  1.00 14.66           N  
+ATOM   4316  CA  ALA D 138      -6.688 -11.339  -7.074  1.00 18.95           C  
+ATOM   4317  C   ALA D 138      -5.417 -12.079  -7.070  1.00 18.17           C  
+ATOM   4318  O   ALA D 138      -4.593 -11.997  -7.851  1.00 14.81           O  
+ATOM   4319  CB  ALA D 138      -6.540 -10.040  -6.183  1.00 19.78           C  
+ATOM   4320  N   ASN D 139      -5.187 -12.811  -5.928  1.00 15.30           N  
+ATOM   4321  CA  ASN D 139      -3.937 -13.374  -5.586  1.00 18.41           C  
+ATOM   4322  C   ASN D 139      -3.703 -14.483  -6.697  1.00 25.63           C  
+ATOM   4323  O   ASN D 139      -2.635 -14.913  -7.329  1.00 23.38           O  
+ATOM   4324  CB  ASN D 139      -3.989 -14.050  -4.592  1.00 50.89           C  
+ATOM   4325  CG  ASN D 139      -3.194 -13.790  -3.503  1.00 63.06           C  
+ATOM   4326  OD1 ASN D 139      -2.135 -15.017  -3.938  1.00 52.41           O  
+ATOM   4327  ND2 ASN D 139      -3.072 -12.228  -3.482  1.00 29.84           N  
+ATOM   4328  N   ALA D 140      -4.873 -15.260  -6.949  1.00 19.40           N  
+ATOM   4329  CA  ALA D 140      -5.005 -16.402  -7.986  1.00 23.09           C  
+ATOM   4330  C   ALA D 140      -4.740 -15.710  -9.403  1.00 18.16           C  
+ATOM   4331  O   ALA D 140      -3.930 -16.420 -10.089  1.00 16.51           O  
+ATOM   4332  CB  ALA D 140      -6.303 -16.997  -8.071  1.00 18.14           C  
+ATOM   4333  N   LEU D 141      -5.172 -14.659  -9.775  1.00 14.97           N  
+ATOM   4334  CA  LEU D 141      -4.899 -14.068 -11.011  1.00 14.94           C  
+ATOM   4335  C   LEU D 141      -3.434 -13.602 -11.198  1.00 11.73           C  
+ATOM   4336  O   LEU D 141      -2.840 -13.285 -12.242  1.00 15.21           O  
+ATOM   4337  CB  LEU D 141      -6.006 -12.939 -11.311  1.00 15.16           C  
+ATOM   4338  CG  LEU D 141      -7.325 -13.394 -11.757  1.00 17.87           C  
+ATOM   4339  CD1 LEU D 141      -7.836 -12.121 -12.278  1.00 24.86           C  
+ATOM   4340  CD2 LEU D 141      -6.860 -13.940 -13.382  1.00 16.07           C  
+ATOM   4341  N   ALA D 142      -2.826 -13.097 -10.036  1.00 14.26           N  
+ATOM   4342  CA  ALA D 142      -1.439 -12.718 -10.054  1.00 17.21           C  
+ATOM   4343  C   ALA D 142      -0.379 -13.783  -9.991  1.00 18.46           C  
+ATOM   4344  O   ALA D 142       0.751 -13.412 -10.228  1.00 18.92           O  
+ATOM   4345  CB  ALA D 142      -1.279 -11.774  -8.892  1.00 19.11           C  
+ATOM   4346  N   HIS D 143      -0.748 -15.020  -9.767  1.00 19.75           N  
+ATOM   4347  CA  HIS D 143       0.079 -16.200  -9.518  1.00 26.63           C  
+ATOM   4348  C   HIS D 143       1.176 -16.436 -10.670  1.00 23.72           C  
+ATOM   4349  O   HIS D 143       2.224 -16.803 -10.136  1.00 24.41           O  
+ATOM   4350  CB  HIS D 143      -0.669 -17.339  -8.942  1.00 25.89           C  
+ATOM   4351  CG  HIS D 143       0.097 -18.406  -8.683  1.00 56.45           C  
+ATOM   4352  ND1 HIS D 143       0.122 -19.475  -9.292  1.00 44.25           N  
+ATOM   4353  CD2 HIS D 143       1.035 -18.261  -7.098  1.00 48.81           C  
+ATOM   4354  CE1 HIS D 143       1.293 -20.089  -8.356  1.00 56.93           C  
+ATOM   4355  NE2 HIS D 143       1.407 -19.517  -7.123  1.00 49.27           N  
+ATOM   4356  N   LYS D 144       0.773 -16.313 -11.824  1.00 19.26           N  
+ATOM   4357  CA  LYS D 144       1.442 -16.574 -13.172  1.00 33.94           C  
+ATOM   4358  C   LYS D 144       2.421 -15.633 -13.479  1.00 32.28           C  
+ATOM   4359  O   LYS D 144       2.996 -15.637 -14.654  1.00 23.60           O  
+ATOM   4360  CB  LYS D 144       1.055 -17.526 -13.968  1.00 31.20           C  
+ATOM   4361  CG  LYS D 144       0.220 -18.870 -13.388  1.00 40.85           C  
+ATOM   4362  CD  LYS D 144       1.002 -19.972 -13.512  1.00 59.03           C  
+ATOM   4363  CE  LYS D 144       0.888 -21.048 -13.306  1.00 56.19           C  
+ATOM   4364  NZ  LYS D 144       1.510 -22.846 -14.338  1.00 70.96           N  
+ATOM   4365  N   TYR D 145       2.435 -14.424 -12.946  1.00 24.92           N  
+ATOM   4366  CA  TYR D 145       3.207 -13.372 -13.244  1.00 29.13           C  
+ATOM   4367  C   TYR D 145       4.717 -13.524 -13.102  1.00 38.17           C  
+ATOM   4368  O   TYR D 145       5.061 -14.114 -12.139  1.00 27.99           O  
+ATOM   4369  CB  TYR D 145       2.744 -12.016 -12.590  1.00 17.99           C  
+ATOM   4370  CG  TYR D 145       1.621 -11.268 -13.262  1.00 17.42           C  
+ATOM   4371  CD1 TYR D 145       1.523 -10.110 -13.925  1.00 16.93           C  
+ATOM   4372  CD2 TYR D 145       0.375 -12.020 -13.134  1.00 18.60           C  
+ATOM   4373  CE1 TYR D 145       0.498  -9.521 -14.492  1.00 17.99           C  
+ATOM   4374  CE2 TYR D 145      -0.813 -11.356 -13.802  1.00 14.96           C  
+ATOM   4375  CZ  TYR D 145      -0.763 -10.275 -14.381  1.00 12.85           C  
+ATOM   4376  OH  TYR D 145      -1.813  -9.580 -14.987  1.00 13.31           O  
+ATOM   4377  N   HIS D 146       5.428 -13.165 -14.072  1.00 26.11           N  
+ATOM   4378  CA  HIS D 146       7.054 -13.167 -14.050  1.00 31.89           C  
+ATOM   4379  C   HIS D 146       7.429 -12.153 -15.048  1.00 21.33           C  
+ATOM   4380  O   HIS D 146       6.931 -11.249 -15.530  1.00 27.92           O  
+ATOM   4381  CB  HIS D 146       7.223 -14.769 -14.665  1.00 30.13           C  
+ATOM   4382  CG  HIS D 146       6.497 -14.789 -15.882  1.00 40.51           C  
+ATOM   4383  ND1 HIS D 146       7.552 -14.702 -17.398  1.00 47.51           N  
+ATOM   4384  CD2 HIS D 146       5.784 -14.325 -16.776  1.00 45.49           C  
+ATOM   4385  CE1 HIS D 146       7.188 -14.800 -17.949  1.00 56.67           C  
+ATOM   4386  NE2 HIS D 146       5.714 -14.339 -18.353  1.00 37.33           N  
+ATOM   4387  OXT HIS D 146       8.812 -12.134 -14.847  1.00 21.61           O  
+TER    4388      HIS D 146                                                      
+HETATM 4389  CHA HEM A 142       8.585   7.902 -18.282  1.00 16.31           C  
+HETATM 4390  CHB HEM A 142      10.355   9.805 -14.208  1.00 26.27           C  
+HETATM 4391  CHC HEM A 142       8.341   6.363 -11.589  1.00 13.23           C  
+HETATM 4392  CHD HEM A 142       6.988   4.088 -15.744  1.00 14.77           C  
+HETATM 4393  C1A HEM A 142       9.141   8.725 -17.504  1.00 17.40           C  
+HETATM 4394  C2A HEM A 142      10.098   9.952 -17.887  1.00 18.53           C  
+HETATM 4395  C3A HEM A 142      10.636  10.499 -16.796  1.00 18.36           C  
+HETATM 4396  C4A HEM A 142      10.137   9.679 -15.611  1.00 16.88           C  
+HETATM 4397  CMA HEM A 142      11.613  11.590 -16.732  1.00 21.20           C  
+HETATM 4398  CAA HEM A 142      10.403  10.367 -19.312  1.00 25.54           C  
+HETATM 4399  CBA HEM A 142       9.552  11.270 -19.659  1.00 31.38           C  
+HETATM 4400  CGA HEM A 142      10.793  12.286 -21.342  1.00 44.82           C  
+HETATM 4401  O1A HEM A 142       9.887  11.345 -21.943  1.00 39.10           O  
+HETATM 4402  O2A HEM A 142       9.308  12.698 -21.487  1.00 54.71           O  
+HETATM 4403  C1B HEM A 142       9.938   9.271 -13.145  1.00 23.63           C  
+HETATM 4404  C2B HEM A 142      10.318   9.380 -11.838  1.00 11.67           C  
+HETATM 4405  C3B HEM A 142       9.660   8.341 -11.052  1.00 17.41           C  
+HETATM 4406  C4B HEM A 142       9.028   7.467 -11.975  1.00 14.84           C  
+HETATM 4407  CMB HEM A 142      11.048  10.634 -11.389  1.00 12.32           C  
+HETATM 4408  CAB HEM A 142       9.567   8.336  -9.634  1.00 24.30           C  
+HETATM 4409  CBB HEM A 142      10.576   8.441  -8.785  1.00 28.40           C  
+HETATM 4410  C1C HEM A 142       7.680   5.498 -12.499  1.00 13.39           C  
+HETATM 4411  C2C HEM A 142       7.270   4.198 -12.170  1.00 11.20           C  
+HETATM 4412  C3C HEM A 142       6.975   3.441 -13.304  1.00  8.94           C  
+HETATM 4413  C4C HEM A 142       7.207   4.445 -14.517  1.00 10.29           C  
+HETATM 4414  CMC HEM A 142       7.098   3.618 -10.845  1.00 13.77           C  
+HETATM 4415  CAC HEM A 142       6.342   2.184 -13.525  1.00 13.45           C  
+HETATM 4416  CBC HEM A 142       6.722   1.153 -12.766  1.00 11.27           C  
+HETATM 4417  C1D HEM A 142       7.302   4.989 -16.733  1.00 11.32           C  
+HETATM 4418  C2D HEM A 142       7.141   4.644 -18.240  1.00 16.69           C  
+HETATM 4419  C3D HEM A 142       7.540   5.718 -18.887  1.00 20.49           C  
+HETATM 4420  C4D HEM A 142       8.172   6.582 -18.158  1.00 16.46           C  
+HETATM 4421  CMD HEM A 142       6.354   3.385 -18.817  1.00 19.45           C  
+HETATM 4422  CAD HEM A 142       7.621   5.740 -20.408  1.00 21.31           C  
+HETATM 4423  CBD HEM A 142       8.764   5.354 -20.767  1.00 38.22           C  
+HETATM 4424  CGD HEM A 142       9.138   5.049 -22.798  1.00 41.21           C  
+HETATM 4425  O1D HEM A 142       9.998   5.836 -22.703  1.00 42.81           O  
+HETATM 4426  O2D HEM A 142       8.349   4.920 -23.144  1.00 40.12           O  
+HETATM 4427  NA  HEM A 142       9.397   8.686 -16.211  1.00 16.46           N  
+HETATM 4428  NB  HEM A 142       9.343   8.012 -13.298  1.00 12.29           N  
+HETATM 4429  NC  HEM A 142       7.604   5.533 -13.949  1.00 15.07           N  
+HETATM 4430  ND  HEM A 142       7.715   6.202 -16.788  1.00 13.07           N  
+HETATM 4431 FE   HEM A 142       8.116   7.403 -15.045  1.00 18.07          FE  
+HETATM 4432  P   PO4 B 147       5.931 -21.573   3.319  1.00 32.97           P  
+HETATM 4433  CHA HEM B 148       9.659 -10.155  20.773  1.00 21.59           C  
+HETATM 4434  CHB HEM B 148      11.121 -12.190  16.575  1.00 16.50           C  
+HETATM 4435  CHC HEM B 148       9.762  -8.175  14.122  1.00 16.82           C  
+HETATM 4436  CHD HEM B 148       8.223  -6.187  18.294  1.00 16.19           C  
+HETATM 4437  C1A HEM B 148      10.199 -10.977  19.856  1.00 24.57           C  
+HETATM 4438  C2A HEM B 148      10.940 -12.186  20.114  1.00 17.10           C  
+HETATM 4439  C3A HEM B 148      11.529 -12.852  19.028  1.00 13.46           C  
+HETATM 4440  C4A HEM B 148      10.911 -11.942  17.916  1.00 18.78           C  
+HETATM 4441  CMA HEM B 148      12.211 -14.084  18.855  1.00 20.21           C  
+HETATM 4442  CAA HEM B 148      11.171 -12.750  21.554  1.00 21.16           C  
+HETATM 4443  CBA HEM B 148      10.089 -13.674  21.941  1.00 27.78           C  
+HETATM 4444  CGA HEM B 148       9.936 -14.643  23.585  1.00 59.12           C  
+HETATM 4445  O1A HEM B 148      10.040 -13.299  24.151  1.00 44.32           O  
+HETATM 4446  O2A HEM B 148       9.582 -15.171  23.405  1.00 46.16           O  
+HETATM 4447  C1B HEM B 148      10.820 -11.284  15.524  1.00 10.36           C  
+HETATM 4448  C2B HEM B 148      11.247 -11.528  14.048  1.00  7.33           C  
+HETATM 4449  C3B HEM B 148      10.827 -10.448  13.495  1.00 15.63           C  
+HETATM 4450  C4B HEM B 148      10.176  -9.458  14.534  1.00 15.33           C  
+HETATM 4451  CMB HEM B 148      11.793 -12.748  13.802  1.00 14.96           C  
+HETATM 4452  CAB HEM B 148      10.965 -10.083  11.934  1.00 19.63           C  
+HETATM 4453  CBB HEM B 148      12.063 -10.466  11.288  1.00 39.39           C  
+HETATM 4454  C1C HEM B 148       9.223  -7.280  15.193  1.00 14.39           C  
+HETATM 4455  C2C HEM B 148       8.943  -5.947  14.698  1.00 10.78           C  
+HETATM 4456  C3C HEM B 148       8.461  -5.188  15.934  1.00 10.68           C  
+HETATM 4457  C4C HEM B 148       8.575  -6.422  16.809  1.00  8.70           C  
+HETATM 4458  CMC HEM B 148       9.067  -5.306  13.381  1.00 13.95           C  
+HETATM 4459  CAC HEM B 148       7.915  -3.899  16.132  1.00 11.87           C  
+HETATM 4460  CBC HEM B 148       8.359  -2.863  15.599  1.00 12.63           C  
+HETATM 4461  C1D HEM B 148       8.576  -7.046  19.346  1.00 18.32           C  
+HETATM 4462  C2D HEM B 148       8.195  -6.791  20.753  1.00 15.48           C  
+HETATM 4463  C3D HEM B 148       8.512  -8.051  21.256  1.00 14.57           C  
+HETATM 4464  C4D HEM B 148       9.290  -8.905  20.340  1.00 20.76           C  
+HETATM 4465  CMD HEM B 148       7.722  -5.449  21.269  1.00 27.50           C  
+HETATM 4466  CAD HEM B 148       8.696  -7.989  22.865  1.00 13.85           C  
+HETATM 4467  CBD HEM B 148      10.051  -7.739  23.453  1.00 17.11           C  
+HETATM 4468  CGD HEM B 148      10.333  -8.222  25.219  1.00 27.09           C  
+HETATM 4469  O1D HEM B 148      11.372  -7.572  25.386  1.00 27.49           O  
+HETATM 4470  O2D HEM B 148       9.169  -8.132  25.625  1.00 23.65           O  
+HETATM 4471  NA  HEM B 148      10.260 -10.823  18.453  1.00 15.64           N  
+HETATM 4472  NB  HEM B 148      10.199 -10.051  15.722  1.00 12.71           N  
+HETATM 4473  NC  HEM B 148       9.104  -7.643  16.544  1.00 11.22           N  
+HETATM 4474  ND  HEM B 148       9.090  -8.239  19.067  1.00 16.72           N  
+HETATM 4475 FE   HEM B 148       9.333  -9.335  17.389  1.00 15.00          FE  
+HETATM 4476  CHA HEM C 142      -8.630   7.776  18.352  1.00 18.96           C  
+HETATM 4477  CHB HEM C 142     -10.320  10.048  14.384  1.00 20.49           C  
+HETATM 4478  CHC HEM C 142      -8.304   6.446  11.794  1.00 15.25           C  
+HETATM 4479  CHD HEM C 142      -6.900   4.052  15.698  1.00 14.70           C  
+HETATM 4480  C1A HEM C 142      -9.195   8.664  17.417  1.00 16.72           C  
+HETATM 4481  C2A HEM C 142     -10.045   9.791  17.916  1.00 15.73           C  
+HETATM 4482  C3A HEM C 142     -10.613  10.462  16.942  1.00 17.27           C  
+HETATM 4483  C4A HEM C 142     -10.077   9.749  15.710  1.00 12.07           C  
+HETATM 4484  CMA HEM C 142     -11.422  11.658  16.756  1.00 31.88           C  
+HETATM 4485  CAA HEM C 142     -10.321  10.351  19.308  1.00 24.60           C  
+HETATM 4486  CBA HEM C 142      -9.201  11.341  19.696  1.00 36.28           C  
+HETATM 4487  CGA HEM C 142     -10.014  12.024  21.724  1.00 43.70           C  
+HETATM 4488  O1A HEM C 142      -9.511  10.786  22.089  1.00 38.93           O  
+HETATM 4489  O2A HEM C 142      -9.503  12.583  21.415  1.00 46.28           O  
+HETATM 4490  C1B HEM C 142      -9.882   9.419  13.260  1.00 18.45           C  
+HETATM 4491  C2B HEM C 142     -10.342   9.474  11.782  1.00 12.95           C  
+HETATM 4492  C3B HEM C 142      -9.631   8.558  11.160  1.00 12.49           C  
+HETATM 4493  C4B HEM C 142      -8.945   7.665  12.157  1.00  8.33           C  
+HETATM 4494  CMB HEM C 142     -11.015  10.631  11.441  1.00 15.16           C  
+HETATM 4495  CAB HEM C 142      -9.701   8.335   9.552  1.00 21.83           C  
+HETATM 4496  CBB HEM C 142     -10.742   8.875   9.052  1.00 33.11           C  
+HETATM 4497  C1C HEM C 142      -7.751   5.629  12.596  1.00 15.97           C  
+HETATM 4498  C2C HEM C 142      -7.320   4.232  12.130  1.00  9.41           C  
+HETATM 4499  C3C HEM C 142      -6.879   3.543  13.304  1.00 11.73           C  
+HETATM 4500  C4C HEM C 142      -7.009   4.441  14.484  1.00 15.36           C  
+HETATM 4501  CMC HEM C 142      -7.210   3.774  10.722  1.00 13.23           C  
+HETATM 4502  CAC HEM C 142      -6.459   2.233  13.437  1.00 19.55           C  
+HETATM 4503  CBC HEM C 142      -6.761   1.082  12.572  1.00 14.52           C  
+HETATM 4504  C1D HEM C 142      -7.305   4.996  16.751  1.00 11.54           C  
+HETATM 4505  C2D HEM C 142      -6.959   4.620  18.250  1.00 12.94           C  
+HETATM 4506  C3D HEM C 142      -7.527   5.654  18.907  1.00 11.38           C  
+HETATM 4507  C4D HEM C 142      -7.947   6.663  18.081  1.00 11.29           C  
+HETATM 4508  CMD HEM C 142      -6.299   3.375  18.648  1.00 13.29           C  
+HETATM 4509  CAD HEM C 142      -7.594   5.618  20.504  1.00 15.84           C  
+HETATM 4510  CBD HEM C 142      -8.833   5.076  20.877  1.00 21.27           C  
+HETATM 4511  CGD HEM C 142      -9.085   5.314  22.774  1.00 26.94           C  
+HETATM 4512  O1D HEM C 142     -10.036   5.486  22.824  1.00 30.21           O  
+HETATM 4513  O2D HEM C 142      -8.326   4.541  23.113  1.00 25.95           O  
+HETATM 4514  NA  HEM C 142      -9.276   8.702  16.089  1.00 16.55           N  
+HETATM 4515  NB  HEM C 142      -9.138   8.185  13.333  1.00 12.79           N  
+HETATM 4516  NC  HEM C 142      -7.518   5.627  13.990  1.00 12.28           N  
+HETATM 4517  ND  HEM C 142      -7.740   6.303  16.793  1.00 12.30           N  
+HETATM 4518 FE   HEM C 142      -8.129   7.348  15.002  1.00 16.89          FE  
+HETATM 4519  P   PO4 D 147      -6.147 -21.111  -3.332  1.00 31.17           P  
+HETATM 4520  CHA HEM D 148      -9.813  -9.884 -20.599  1.00 19.84           C  
+HETATM 4521  CHB HEM D 148     -11.252 -11.989 -16.610  1.00 16.61           C  
+HETATM 4522  CHC HEM D 148      -9.951  -8.302 -14.119  1.00 13.93           C  
+HETATM 4523  CHD HEM D 148      -8.200  -5.985 -18.127  1.00 15.88           C  
+HETATM 4524  C1A HEM D 148     -10.428 -10.865 -19.783  1.00 28.09           C  
+HETATM 4525  C2A HEM D 148     -11.318 -12.071 -20.258  1.00 22.30           C  
+HETATM 4526  C3A HEM D 148     -11.693 -12.664 -19.188  1.00 22.59           C  
+HETATM 4527  C4A HEM D 148     -11.051 -11.756 -18.004  1.00 25.38           C  
+HETATM 4528  CMA HEM D 148     -12.566 -13.772 -18.973  1.00 20.23           C  
+HETATM 4529  CAA HEM D 148     -11.486 -12.464 -21.884  1.00 19.24           C  
+HETATM 4530  CBA HEM D 148     -10.405 -12.971 -22.194  1.00 50.08           C  
+HETATM 4531  CGA HEM D 148      -9.805 -13.296 -24.484  1.00 47.00           C  
+HETATM 4532  O1A HEM D 148     -11.117 -13.581 -24.158  1.00 49.99           O  
+HETATM 4533  O2A HEM D 148      -9.172 -14.946 -24.346  1.00 55.24           O  
+HETATM 4534  C1B HEM D 148     -10.937 -11.332 -15.462  1.00 14.32           C  
+HETATM 4535  C2B HEM D 148     -11.232 -11.509 -14.176  1.00 15.75           C  
+HETATM 4536  C3B HEM D 148     -10.801 -10.525 -13.479  1.00 14.95           C  
+HETATM 4537  C4B HEM D 148     -10.217  -9.585 -14.421  1.00 12.78           C  
+HETATM 4538  CMB HEM D 148     -11.799 -12.726 -13.757  1.00 18.74           C  
+HETATM 4539  CAB HEM D 148     -10.869 -10.291 -11.895  1.00 16.19           C  
+HETATM 4540  CBB HEM D 148     -11.756 -10.396 -11.494  1.00 34.22           C  
+HETATM 4541  C1C HEM D 148      -9.469  -7.417 -14.891  1.00 14.15           C  
+HETATM 4542  C2C HEM D 148      -8.915  -5.898 -14.609  1.00 16.84           C  
+HETATM 4543  C3C HEM D 148      -8.353  -5.322 -15.741  1.00 13.21           C  
+HETATM 4544  C4C HEM D 148      -8.605  -6.360 -16.751  1.00 15.07           C  
+HETATM 4545  CMC HEM D 148      -9.128  -5.229 -13.166  1.00 18.77           C  
+HETATM 4546  CAC HEM D 148      -7.843  -4.077 -15.916  1.00 13.84           C  
+HETATM 4547  CBC HEM D 148      -8.331  -3.032 -15.408  1.00 20.77           C  
+HETATM 4548  C1D HEM D 148      -8.465  -7.065 -19.281  1.00 18.28           C  
+HETATM 4549  C2D HEM D 148      -8.394  -6.595 -20.574  1.00 20.40           C  
+HETATM 4550  C3D HEM D 148      -8.861  -7.841 -21.341  1.00 19.16           C  
+HETATM 4551  C4D HEM D 148      -9.573  -8.702 -20.531  1.00 19.80           C  
+HETATM 4552  CMD HEM D 148      -7.686  -5.397 -21.106  1.00 25.65           C  
+HETATM 4553  CAD HEM D 148      -8.956  -7.733 -22.890  1.00 23.94           C  
+HETATM 4554  CBD HEM D 148     -10.040  -6.949 -23.304  1.00 45.78           C  
+HETATM 4555  CGD HEM D 148     -10.579  -7.365 -25.200  1.00 48.49           C  
+HETATM 4556  O1D HEM D 148      -9.907  -5.916 -25.395  1.00 40.71           O  
+HETATM 4557  O2D HEM D 148      -9.982  -7.978 -25.490  1.00 45.79           O  
+HETATM 4558  NA  HEM D 148     -10.454 -10.804 -18.459  1.00 15.98           N  
+HETATM 4559  NB  HEM D 148     -10.364  -9.999 -15.688  1.00 14.27           N  
+HETATM 4560  NC  HEM D 148      -9.228  -7.489 -16.235  1.00 12.21           N  
+HETATM 4561  ND  HEM D 148      -9.282  -8.209 -19.162  1.00 12.94           N  
+HETATM 4562 FE   HEM D 148      -9.504  -9.265 -17.387  1.00 15.46          FE  
+HETATM 4563  O   HOH A 143      27.864   0.667   0.584  1.00 21.15           O  
+HETATM 4564  O   HOH A 144      10.459   5.072 -14.201  1.00 29.96           O  
+HETATM 4565  O   HOH A 145      17.782  -1.325 -26.109  1.00 23.65           O  
+HETATM 4566  O   HOH A 146      13.825   2.114   3.861  1.00 23.17           O  
+HETATM 4567  O   HOH A 147      16.741  12.813   9.083  1.00 26.86           O  
+HETATM 4568  O   HOH A 148      22.374   9.235  11.515  1.00 30.53           O  
+HETATM 4569  O   HOH A 149      25.903  -1.921  -7.245  1.00 27.68           O  
+HETATM 4570  O   HOH A 150      11.472   3.167   0.508  1.00 27.27           O  
+HETATM 4571  O   HOH A 151      30.661   6.822  -0.101  1.00 29.31           O  
+HETATM 4572  O   HOH A 152      -3.585   1.717  -5.969  1.00 29.54           O  
+HETATM 4573  O   HOH A 153      32.341  10.298   6.014  1.00 35.74           O  
+HETATM 4574  O   HOH A 154      34.406  10.442   4.080  1.00 31.58           O  
+HETATM 4575  O   HOH A 155      30.017   0.297  -1.177  1.00 37.73           O  
+HETATM 4576  O   HOH A 156      21.428  14.396 -13.024  1.00 37.58           O  
+HETATM 4577  O   HOH A 157      10.103   6.463  -0.224  1.00 29.83           O  
+HETATM 4578  O   HOH A 158      28.011  -0.672  -5.493  1.00 34.75           O  
+HETATM 4579  O   HOH A 159      12.221   6.676 -21.742  1.00 35.95           O  
+HETATM 4580  O   HOH A 160       0.070  13.369 -11.506  1.00 27.36           O  
+HETATM 4581  O   HOH A 161       6.073  -7.542  -8.224  1.00 27.80           O  
+HETATM 4582  O   HOH A 162       0.959  -1.910 -19.919  1.00 29.65           O  
+HETATM 4583  O   HOH A 163      -5.435   9.067 -14.288  1.00 30.27           O  
+HETATM 4584  O   HOH A 164       3.108  18.897 -10.351  1.00 37.13           O  
+HETATM 4585  O   HOH A 165       9.253   2.690  -0.595  1.00 31.92           O  
+HETATM 4586  O   HOH A 166       3.509   1.516 -20.390  1.00 30.86           O  
+HETATM 4587  O   HOH A 167       7.323   6.472  -2.528  1.00 34.91           O  
+HETATM 4588  O   HOH A 168       8.069  21.100  -2.836  1.00 34.13           O  
+HETATM 4589  O   HOH A 169      22.069   5.076 -17.599  1.00 36.10           O  
+HETATM 4590  O   HOH A 170      12.511  23.031 -13.238  1.00 37.77           O  
+HETATM 4591  O   HOH A 171      27.846   5.439   7.283  1.00 39.01           O  
+HETATM 4592  O   HOH A 172      16.593  -6.697  -7.432  1.00 35.74           O  
+HETATM 4593  O   HOH A 173      19.969  -3.554 -17.319  1.00 36.03           O  
+HETATM 4594  O   HOH A 174      14.440  13.918 -17.292  1.00 34.06           O  
+HETATM 4595  O   HOH A 175      30.151   3.417  -5.741  1.00 35.04           O  
+HETATM 4596  O   HOH A 176       8.360   5.321   2.557  1.00 38.02           O  
+HETATM 4597  O   HOH A 177      -6.479  11.748 -17.967  1.00 39.72           O  
+HETATM 4598  O   HOH A 178       8.608  18.432 -15.341  1.00 36.40           O  
+HETATM 4599  O   HOH A 179      13.827  13.620   8.994  1.00 37.52           O  
+HETATM 4600  O   HOH A 180      16.070  12.039  11.262  1.00 38.53           O  
+HETATM 4601  O   HOH A 181       2.747   5.937  -4.128  1.00 42.85           O  
+HETATM 4602  O   HOH A 182       7.523  20.881 -15.648  1.00 39.27           O  
+HETATM 4603  O   HOH A 183      11.712 -10.960  -5.769  1.00 38.61           O  
+HETATM 4604  O   HOH A 184      30.119   4.139  -8.587  1.00 34.80           O  
+HETATM 4605  O   HOH A 185      25.533   1.205 -11.184  1.00 42.30           O  
+HETATM 4606  O   HOH A 186      -4.812  12.384  -7.265  1.00 38.29           O  
+HETATM 4607  O   HOH A 187      23.809  19.925   1.758  1.00 39.37           O  
+HETATM 4608  O   HOH A 188      26.015  11.766   5.159  1.00 40.95           O  
+HETATM 4609  O   HOH A 189      14.639  24.823  -4.300  1.00 41.35           O  
+HETATM 4610  O   HOH A 190      14.903   5.393 -23.047  1.00 37.45           O  
+HETATM 4611  O   HOH A 191      16.650  -5.137 -16.717  1.00 39.12           O  
+HETATM 4612  O   HOH A 192       7.424  -6.700 -20.085  1.00 38.62           O  
+HETATM 4613  O   HOH A 193      23.120  -3.118 -12.992  1.00 37.05           O  
+HETATM 4614  O   HOH A 194      23.664   0.968 -14.389  1.00 36.25           O  
+HETATM 4615  O   HOH A 195      25.698   7.981 -15.362  1.00 35.85           O  
+HETATM 4616  O   HOH A 196      30.009  16.347  -6.794  1.00 37.62           O  
+HETATM 4617  O   HOH A 197      27.728  16.677  -1.376  1.00 42.54           O  
+HETATM 4618  O   HOH A 198       8.142  18.836   1.041  1.00 39.90           O  
+HETATM 4619  O   HOH B 149       0.093  -2.470  16.222  1.00 21.64           O  
+HETATM 4620  O   HOH B 150      -5.404  -9.289  14.863  1.00 29.94           O  
+HETATM 4621  O   HOH B 151      17.543 -13.863  -8.044  1.00 26.33           O  
+HETATM 4622  O   HOH B 152      10.126  -8.396  -0.639  1.00 27.87           O  
+HETATM 4623  O   HOH B 153      25.765  -4.888  -7.482  1.00 33.60           O  
+HETATM 4624  O   HOH B 154      31.028  -6.924  -0.005  1.00 27.86           O  
+HETATM 4625  O   HOH B 155      10.572  -9.505   7.329  1.00 34.89           O  
+HETATM 4626  O   HOH B 156       2.908 -19.221  10.523  1.00 29.82           O  
+HETATM 4627  O   HOH B 157      27.245 -11.383  -5.263  1.00 34.30           O  
+HETATM 4628  O   HOH B 158       5.726 -17.664   4.076  1.00 29.36           O  
+HETATM 4629  O   HOH B 159      30.677  -1.382  -3.264  1.00 34.23           O  
+HETATM 4630  O   HOH B 160      21.396 -19.202   9.299  1.00 34.06           O  
+HETATM 4631  O   HOH B 161       3.400  -4.625  22.878  1.00 34.98           O  
+HETATM 4632  O   HOH B 162      23.029   7.858  13.868  1.00 34.02           O  
+HETATM 4633  O   HOH B 163      10.054   0.537   2.970  1.00 33.29           O  
+HETATM 4634  O   HOH B 164      16.523 -14.815  19.144  1.00 32.12           O  
+HETATM 4635  O   HOH B 165      -3.521  -7.996  18.788  1.00 35.56           O  
+HETATM 4636  O   HOH B 166       9.429  -6.067   3.140  1.00 34.98           O  
+HETATM 4637  O   HOH B 167      25.800 -14.208  -2.740  1.00 37.65           O  
+HETATM 4638  O   HOH B 168       0.313 -14.430   5.859  1.00 34.45           O  
+HETATM 4639  O   HOH B 169      25.879 -15.224  10.033  1.00 33.37           O  
+HETATM 4640  O   HOH B 170      35.602  -4.153  -9.289  1.00 35.71           O  
+HETATM 4641  O   HOH B 171      20.781   6.254  23.632  1.00 38.68           O  
+HETATM 4642  O   HOH B 172      21.800 -18.543  12.994  1.00 40.56           O  
+HETATM 4643  O   HOH B 173       7.807 -19.735  16.230  1.00 34.56           O  
+HETATM 4644  O   HOH B 174      -2.047 -12.487  30.048  1.00 36.28           O  
+HETATM 4645  O   HOH B 175      13.681  -7.349  23.790  1.00 31.60           O  
+HETATM 4646  O   HOH B 176      24.831 -18.968   5.896  1.00 34.00           O  
+HETATM 4647  O   HOH B 177       5.475  -5.297  23.977  1.00 36.71           O  
+HETATM 4648  O   HOH B 178      15.904  -5.466  24.689  1.00 34.84           O  
+HETATM 4649  O   HOH B 179      22.123   0.182  16.584  1.00 33.20           O  
+HETATM 4650  O   HOH B 180      19.207 -15.705  -9.408  1.00 37.19           O  
+HETATM 4651  O   HOH B 181      25.174 -12.029  -8.381  1.00 35.87           O  
+HETATM 4652  O   HOH B 182     -10.362 -13.333  12.465  1.00 36.08           O  
+HETATM 4653  O   HOH B 183      12.092   8.997  23.297  1.00 38.22           O  
+HETATM 4654  O   HOH B 184       7.727   5.204  22.116  1.00 43.17           O  
+HETATM 4655  O   HOH B 185      30.137 -14.006  10.129  1.00 36.03           O  
+HETATM 4656  O   HOH B 186      13.730 -18.833  14.202  1.00 39.57           O  
+HETATM 4657  O   HOH B 187      22.379   8.870  23.585  1.00 37.45           O  
+HETATM 4658  O   HOH B 188      -4.205 -14.646   8.671  1.00 38.65           O  
+HETATM 4659  O   HOH B 189      12.589  14.261  19.653  1.00 36.93           O  
+HETATM 4660  O   HOH B 190      24.652   6.230  17.996  1.00 42.01           O  
+HETATM 4661  O   HOH B 191       8.775 -23.438  16.055  1.00 42.33           O  
+HETATM 4662  O   HOH B 192      -7.480 -10.898  17.998  1.00 38.06           O  
+HETATM 4663  O   HOH B 193      11.388 -11.044  24.763  1.00 39.34           O  
+HETATM 4664  O   HOH B 194       3.735  -3.643   2.734  1.00 42.17           O  
+HETATM 4665  O   HOH B 195       3.149  -0.692   2.083  1.00 41.40           O  
+HETATM 4666  O   HOH B 196       4.511 -25.886  13.006  1.00 39.83           O  
+HETATM 4667  O   HOH B 197       8.712 -21.655   3.577  1.00 43.08           O  
+HETATM 4668  O   HOH B 198      22.926  -4.304  24.079  1.00 38.10           O  
+HETATM 4669  O   HOH B 199      11.435   9.654  20.618  1.00 40.23           O  
+HETATM 4670  O   HOH B 200      18.099   5.542  27.744  1.00 39.03           O  
+HETATM 4671  O   HOH B 201      12.174   9.951   9.804  1.00 44.34           O  
+HETATM 4672  O   HOH B 202      24.745  -2.501  15.270  1.00 39.78           O  
+HETATM 4673  O   HOH B 203      24.231   0.100  14.764  1.00 42.94           O  
+HETATM 4674  O   HOH B 204      23.324 -18.136  10.981  1.00 53.60           O  
+HETATM 4675  O   HOH B 205      25.576 -22.211   6.309  1.00 45.18           O  
+HETATM 4676  O   HOH C 143      -2.661  -3.608   9.261  1.00 21.26           O  
+HETATM 4677  O   HOH C 144       0.111  13.200  11.373  1.00 21.54           O  
+HETATM 4678  O   HOH C 145     -16.704  12.691  -9.201  1.00 23.30           O  
+HETATM 4679  O   HOH C 146     -13.774   2.466  -4.032  1.00 22.15           O  
+HETATM 4680  O   HOH C 147       5.273   9.077  14.193  1.00 28.02           O  
+HETATM 4681  O   HOH C 148     -11.466   3.494  -0.405  1.00 32.97           O  
+HETATM 4682  O   HOH C 149     -10.454   4.898  14.327  1.00 33.04           O  
+HETATM 4683  O   HOH C 150      -7.824   6.701   2.273  1.00 27.40           O  
+HETATM 4684  O   HOH C 151      -1.248  -1.596  20.098  1.00 29.84           O  
+HETATM 4685  O   HOH C 152       2.150  -0.244  14.446  1.00 30.74           O  
+HETATM 4686  O   HOH C 153      -2.060  18.771  19.773  1.00 29.22           O  
+HETATM 4687  O   HOH C 154     -21.154  14.002  13.362  1.00 32.40           O  
+HETATM 4688  O   HOH C 155      -9.105   3.030   0.663  1.00 28.46           O  
+HETATM 4689  O   HOH C 156       0.739  12.802   4.676  1.00 38.51           O  
+HETATM 4690  O   HOH C 157      -8.549  18.107  15.436  1.00 35.20           O  
+HETATM 4691  O   HOH C 158      -3.358   1.489  20.400  1.00 39.88           O  
+HETATM 4692  O   HOH C 159      -2.351  -4.643   6.766  1.00 36.39           O  
+HETATM 4693  O   HOH C 160      -9.995   6.820   0.255  1.00 29.81           O  
+HETATM 4694  O   HOH C 161      -1.621  21.259  16.530  1.00 33.74           O  
+HETATM 4695  O   HOH C 162      -5.469  23.850  15.062  1.00 31.03           O  
+HETATM 4696  O   HOH C 163       3.572   1.751   6.044  1.00 29.72           O  
+HETATM 4697  O   HOH C 164     -12.295   6.520  21.611  1.00 31.11           O  
+HETATM 4698  O   HOH C 165     -14.251  13.845  17.234  1.00 30.77           O  
+HETATM 4699  O   HOH C 166     -17.414  -5.952  27.962  1.00 34.94           O  
+HETATM 4700  O   HOH C 167      -3.547  16.435  20.027  1.00 34.58           O  
+HETATM 4701  O   HOH C 168     -16.355  -6.652   7.174  1.00 37.69           O  
+HETATM 4702  O   HOH C 169      -7.541  12.855  -2.773  1.00 34.39           O  
+HETATM 4703  O   HOH C 170      -4.225   9.070   1.455  1.00 35.72           O  
+HETATM 4704  O   HOH C 171     -25.974  -1.828   7.173  1.00 32.50           O  
+HETATM 4705  O   HOH C 172      -9.581  -6.364  21.942  1.00 37.91           O  
+HETATM 4706  O   HOH C 173     -14.874   4.521  23.126  1.00 36.81           O  
+HETATM 4707  O   HOH C 174     -15.534  20.875 -10.339  1.00 37.83           O  
+HETATM 4708  O   HOH C 175      -8.242  21.385   2.969  1.00 35.70           O  
+HETATM 4709  O   HOH C 176      -5.634  24.523   6.954  1.00 37.22           O  
+HETATM 4710  O   HOH C 177     -22.981  14.501  -8.660  1.00 34.30           O  
+HETATM 4711  O   HOH C 178     -13.871  16.688 -10.143  1.00 36.92           O  
+HETATM 4712  O   HOH C 179     -20.275  19.235   8.097  1.00 34.30           O  
+HETATM 4713  O   HOH C 180       1.720  15.273   3.670  1.00 39.46           O  
+HETATM 4714  O   HOH C 181      -2.824  18.993  10.315  1.00 37.49           O  
+HETATM 4715  O   HOH C 182      -2.160   0.091  22.111  1.00 39.39           O  
+HETATM 4716  O   HOH C 183       7.922  12.037  14.216  1.00 34.40           O  
+HETATM 4717  O   HOH C 184      -2.698   5.986   4.174  1.00 37.01           O  
+HETATM 4718  O   HOH C 185       6.321  10.115   3.931  1.00 35.17           O  
+HETATM 4719  O   HOH C 186      -7.096  21.140  15.539  1.00 35.39           O  
+HETATM 4720  O   HOH C 187     -10.581  17.364  16.459  1.00 39.95           O  
+HETATM 4721  O   HOH C 188      -4.668  13.050  -0.747  1.00 39.36           O  
+HETATM 4722  O   HOH C 189      -4.764  -6.228   5.515  1.00 40.89           O  
+HETATM 4723  O   HOH C 190       4.693  12.083   7.558  1.00 40.24           O  
+HETATM 4724  O   HOH C 191      -4.731  16.453   2.295  1.00 36.37           O  
+HETATM 4725  O   HOH C 192      -1.055  11.866  -0.448  1.00 43.19           O  
+HETATM 4726  O   HOH C 193     -18.517  -8.355  15.267  1.00 35.55           O  
+HETATM 4727  O   HOH C 194       6.547   9.706  16.296  1.00 41.86           O  
+HETATM 4728  O   HOH C 195       0.029  22.606  14.164  1.00 43.02           O  
+HETATM 4729  O   HOH C 196     -11.367   0.306  28.463  1.00 44.30           O  
+HETATM 4730  O   HOH C 197     -19.950 -10.635  14.301  1.00 40.17           O  
+HETATM 4731  O   HOH C 198      -7.047  -6.324  20.098  1.00 36.98           O  
+HETATM 4732  O   HOH C 199     -23.876   1.108  14.102  1.00 33.31           O  
+HETATM 4733  O   HOH C 200     -34.199   8.033  11.037  1.00 40.72           O  
+HETATM 4734  O   HOH C 201     -14.173  13.393  -8.778  1.00 43.21           O  
+HETATM 4735  O   HOH D 149       0.061  -2.494 -16.397  1.00 18.64           O  
+HETATM 4736  O   HOH D 150      -8.041 -19.581 -16.153  1.00 26.28           O  
+HETATM 4737  O   HOH D 151       2.825  -3.769  -9.602  1.00 23.08           O  
+HETATM 4738  O   HOH D 152      -2.494  -0.118 -14.151  1.00 25.33           O  
+HETATM 4739  O   HOH D 153      -9.792  -8.060   0.750  1.00 30.48           O  
+HETATM 4740  O   HOH D 154      -6.518 -22.534 -15.665  1.00 34.60           O  
+HETATM 4741  O   HOH D 155     -17.398 -13.549   8.357  1.00 35.82           O  
+HETATM 4742  O   HOH D 156       5.350  -9.378 -15.018  1.00 27.68           O  
+HETATM 4743  O   HOH D 157      -6.300 -24.347 -19.100  1.00 35.93           O  
+HETATM 4744  O   HOH D 158      -9.520   7.447 -21.130  1.00 40.04           O  
+HETATM 4745  O   HOH D 159     -16.425  -5.250 -24.764  1.00 32.57           O  
+HETATM 4746  O   HOH D 160      -7.987 -14.493   1.146  1.00 34.30           O  
+HETATM 4747  O   HOH D 161      -3.890   0.572 -11.856  1.00 34.78           O  
+HETATM 4748  O   HOH D 162     -29.504  -0.198  -4.474  1.00 38.63           O  
+HETATM 4749  O   HOH D 163     -25.631 -15.732  -9.906  1.00 33.22           O  
+HETATM 4750  O   HOH D 164      -2.623 -18.453 -21.128  1.00 35.47           O  
+HETATM 4751  O   HOH D 165      -2.780 -19.130 -10.800  1.00 30.23           O  
+HETATM 4752  O   HOH D 166     -25.734  -4.456   7.605  1.00 34.33           O  
+HETATM 4753  O   HOH D 167     -11.771 -10.816   5.496  1.00 38.68           O  
+HETATM 4754  O   HOH D 168      -9.924   0.291  -2.970  1.00 38.71           O  
+HETATM 4755  O   HOH D 169     -25.514 -14.066   2.449  1.00 36.60           O  
+HETATM 4756  O   HOH D 170      -5.455 -17.392  -4.316  1.00 34.43           O  
+HETATM 4757  O   HOH D 171       2.688 -11.418  -8.564  1.00 35.73           O  
+HETATM 4758  O   HOH D 172       7.091 -10.993 -18.224  1.00 32.39           O  
+HETATM 4759  O   HOH D 173      -9.377  -6.399  -3.029  1.00 35.44           O  
+HETATM 4760  O   HOH D 174     -16.565 -17.782 -17.506  1.00 41.02           O  
+HETATM 4761  O   HOH D 175      -8.141  -3.463 -24.390  1.00 37.14           O  
+HETATM 4762  O   HOH D 176     -16.560 -15.177 -19.016  1.00 34.89           O  
+HETATM 4763  O   HOH D 177       3.477  -8.048 -19.033  1.00 35.94           O  
+HETATM 4764  O   HOH D 178     -24.698 -11.573   8.724  1.00 38.01           O  
+HETATM 4765  O   HOH D 179       2.193  -4.435  -6.557  1.00 38.51           O  
+HETATM 4766  O   HOH D 180     -29.898 -16.926  -2.135  1.00 36.37           O  
+HETATM 4767  O   HOH D 181      -7.374   8.034 -17.831  1.00 34.05           O  
+HETATM 4768  O   HOH D 182     -24.015   0.401 -15.301  1.00 39.14           O  
+HETATM 4769  O   HOH D 183     -12.141   9.790 -10.238  1.00 38.30           O  
+HETATM 4770  O   HOH D 184      -5.765  -3.569 -23.682  1.00 36.68           O  
+HETATM 4771  O   HOH D 185      -4.860  -9.811  -2.967  1.00 37.10           O  
+HETATM 4772  O   HOH D 186     -23.107  -4.490 -24.359  1.00 37.97           O  
+HETATM 4773  O   HOH D 187     -10.377  -9.632  -7.043  1.00 38.85           O  
+HETATM 4774  O   HOH D 188      -7.871  -9.078   2.406  1.00 43.37           O  
+HETATM 4775  O   HOH D 189     -27.610 -10.991   5.353  1.00 43.46           O  
+HETATM 4776  O   HOH D 190     -14.034   2.806 -30.367  1.00 41.77           O  
+HETATM 4777  O   HOH D 191     -32.905  -9.033   0.480  1.00 43.68           O  
+HETATM 4778  O   HOH D 192     -28.749 -13.315   1.938  1.00 45.36           O  
+HETATM 4779  O   HOH D 193       0.516  -8.074 -26.354  1.00 41.53           O  
+HETATM 4780  O   HOH D 194     -20.080  -9.873 -22.862  1.00 36.25           O  
+HETATM 4781  O   HOH D 195     -13.442   9.778 -13.572  1.00 39.70           O  
+HETATM 4782  O   HOH D 196     -24.804  -2.608 -15.488  1.00 37.79           O  
+HETATM 4783  O   HOH D 197      -1.263  -2.837 -21.251  1.00 45.10           O  
+CONECT  650 4431                                                                
+CONECT 1771 4475                                                                
+CONECT 2844 4518                                                                
+CONECT 3965 4562                                                                
+CONECT 4389 4393 4420                                                           
+CONECT 4390 4396 4403                                                           
+CONECT 4391 4406 4410                                                           
+CONECT 4392 4413 4417                                                           
+CONECT 4393 4389 4394 4427                                                      
+CONECT 4394 4393 4395 4398                                                      
+CONECT 4395 4394 4396 4397                                                      
+CONECT 4396 4390 4395 4427                                                      
+CONECT 4397 4395                                                                
+CONECT 4398 4394 4399                                                           
+CONECT 4399 4398 4400                                                           
+CONECT 4400 4399 4401 4402                                                      
+CONECT 4401 4400                                                                
+CONECT 4402 4400                                                                
+CONECT 4403 4390 4404 4428                                                      
+CONECT 4404 4403 4405 4407                                                      
+CONECT 4405 4404 4406 4408                                                      
+CONECT 4406 4391 4405 4428                                                      
+CONECT 4407 4404                                                                
+CONECT 4408 4405 4409                                                           
+CONECT 4409 4408                                                                
+CONECT 4410 4391 4411 4429                                                      
+CONECT 4411 4410 4412 4414                                                      
+CONECT 4412 4411 4413 4415                                                      
+CONECT 4413 4392 4412 4429                                                      
+CONECT 4414 4411                                                                
+CONECT 4415 4412 4416                                                           
+CONECT 4416 4415                                                                
+CONECT 4417 4392 4418 4430                                                      
+CONECT 4418 4417 4419 4421                                                      
+CONECT 4419 4418 4420 4422                                                      
+CONECT 4420 4389 4419 4430                                                      
+CONECT 4421 4418                                                                
+CONECT 4422 4419 4423                                                           
+CONECT 4423 4422 4424                                                           
+CONECT 4424 4423 4425 4426                                                      
+CONECT 4425 4424                                                                
+CONECT 4426 4424                                                                
+CONECT 4427 4393 4396 4431                                                      
+CONECT 4428 4403 4406 4431                                                      
+CONECT 4429 4410 4413 4431                                                      
+CONECT 4430 4417 4420 4431                                                      
+CONECT 4431  650 4427 4428 4429                                                 
+CONECT 4431 4430                                                                
+CONECT 4433 4437 4464                                                           
+CONECT 4434 4440 4447                                                           
+CONECT 4435 4450 4454                                                           
+CONECT 4436 4457 4461                                                           
+CONECT 4437 4433 4438 4471                                                      
+CONECT 4438 4437 4439 4442                                                      
+CONECT 4439 4438 4440 4441                                                      
+CONECT 4440 4434 4439 4471                                                      
+CONECT 4441 4439                                                                
+CONECT 4442 4438 4443                                                           
+CONECT 4443 4442 4444                                                           
+CONECT 4444 4443 4445 4446                                                      
+CONECT 4445 4444                                                                
+CONECT 4446 4444                                                                
+CONECT 4447 4434 4448 4472                                                      
+CONECT 4448 4447 4449 4451                                                      
+CONECT 4449 4448 4450 4452                                                      
+CONECT 4450 4435 4449 4472                                                      
+CONECT 4451 4448                                                                
+CONECT 4452 4449 4453                                                           
+CONECT 4453 4452                                                                
+CONECT 4454 4435 4455 4473                                                      
+CONECT 4455 4454 4456 4458                                                      
+CONECT 4456 4455 4457 4459                                                      
+CONECT 4457 4436 4456 4473                                                      
+CONECT 4458 4455                                                                
+CONECT 4459 4456 4460                                                           
+CONECT 4460 4459                                                                
+CONECT 4461 4436 4462 4474                                                      
+CONECT 4462 4461 4463 4465                                                      
+CONECT 4463 4462 4464 4466                                                      
+CONECT 4464 4433 4463 4474                                                      
+CONECT 4465 4462                                                                
+CONECT 4466 4463 4467                                                           
+CONECT 4467 4466 4468                                                           
+CONECT 4468 4467 4469 4470                                                      
+CONECT 4469 4468                                                                
+CONECT 4470 4468                                                                
+CONECT 4471 4437 4440 4475                                                      
+CONECT 4472 4447 4450 4475                                                      
+CONECT 4473 4454 4457 4475                                                      
+CONECT 4474 4461 4464 4475                                                      
+CONECT 4475 1771 4471 4472 4473                                                 
+CONECT 4475 4474                                                                
+CONECT 4476 4480 4507                                                           
+CONECT 4477 4483 4490                                                           
+CONECT 4478 4493 4497                                                           
+CONECT 4479 4500 4504                                                           
+CONECT 4480 4476 4481 4514                                                      
+CONECT 4481 4480 4482 4485                                                      
+CONECT 4482 4481 4483 4484                                                      
+CONECT 4483 4477 4482 4514                                                      
+CONECT 4484 4482                                                                
+CONECT 4485 4481 4486                                                           
+CONECT 4486 4485 4487                                                           
+CONECT 4487 4486 4488 4489                                                      
+CONECT 4488 4487                                                                
+CONECT 4489 4487                                                                
+CONECT 4490 4477 4491 4515                                                      
+CONECT 4491 4490 4492 4494                                                      
+CONECT 4492 4491 4493 4495                                                      
+CONECT 4493 4478 4492 4515                                                      
+CONECT 4494 4491                                                                
+CONECT 4495 4492 4496                                                           
+CONECT 4496 4495                                                                
+CONECT 4497 4478 4498 4516                                                      
+CONECT 4498 4497 4499 4501                                                      
+CONECT 4499 4498 4500 4502                                                      
+CONECT 4500 4479 4499 4516                                                      
+CONECT 4501 4498                                                                
+CONECT 4502 4499 4503                                                           
+CONECT 4503 4502                                                                
+CONECT 4504 4479 4505 4517                                                      
+CONECT 4505 4504 4506 4508                                                      
+CONECT 4506 4505 4507 4509                                                      
+CONECT 4507 4476 4506 4517                                                      
+CONECT 4508 4505                                                                
+CONECT 4509 4506 4510                                                           
+CONECT 4510 4509 4511                                                           
+CONECT 4511 4510 4512 4513                                                      
+CONECT 4512 4511                                                                
+CONECT 4513 4511                                                                
+CONECT 4514 4480 4483 4518                                                      
+CONECT 4515 4490 4493 4518                                                      
+CONECT 4516 4497 4500 4518                                                      
+CONECT 4517 4504 4507 4518                                                      
+CONECT 4518 2844 4514 4515 4516                                                 
+CONECT 4518 4517                                                                
+CONECT 4520 4524 4551                                                           
+CONECT 4521 4527 4534                                                           
+CONECT 4522 4537 4541                                                           
+CONECT 4523 4544 4548                                                           
+CONECT 4524 4520 4525 4558                                                      
+CONECT 4525 4524 4526 4529                                                      
+CONECT 4526 4525 4527 4528                                                      
+CONECT 4527 4521 4526 4558                                                      
+CONECT 4528 4526                                                                
+CONECT 4529 4525 4530                                                           
+CONECT 4530 4529 4531                                                           
+CONECT 4531 4530 4532 4533                                                      
+CONECT 4532 4531                                                                
+CONECT 4533 4531                                                                
+CONECT 4534 4521 4535 4559                                                      
+CONECT 4535 4534 4536 4538                                                      
+CONECT 4536 4535 4537 4539                                                      
+CONECT 4537 4522 4536 4559                                                      
+CONECT 4538 4535                                                                
+CONECT 4539 4536 4540                                                           
+CONECT 4540 4539                                                                
+CONECT 4541 4522 4542 4560                                                      
+CONECT 4542 4541 4543 4545                                                      
+CONECT 4543 4542 4544 4546                                                      
+CONECT 4544 4523 4543 4560                                                      
+CONECT 4545 4542                                                                
+CONECT 4546 4543 4547                                                           
+CONECT 4547 4546                                                                
+CONECT 4548 4523 4549 4561                                                      
+CONECT 4549 4548 4550 4552                                                      
+CONECT 4550 4549 4551 4553                                                      
+CONECT 4551 4520 4550 4561                                                      
+CONECT 4552 4549                                                                
+CONECT 4553 4550 4554                                                           
+CONECT 4554 4553 4555                                                           
+CONECT 4555 4554 4556 4557                                                      
+CONECT 4556 4555                                                                
+CONECT 4557 4555                                                                
+CONECT 4558 4524 4527 4562                                                      
+CONECT 4559 4534 4537 4562                                                      
+CONECT 4560 4541 4544 4562                                                      
+CONECT 4561 4548 4551 4562                                                      
+CONECT 4562 3965 4558 4559 4560                                                 
+CONECT 4562 4561                                                                
+MASTER      711    0    6   32    0    0   16    9 4779    4  180   46          
+END                                                                             
diff --git a/tests/protein_ligand/test_graphs.py b/tests/protein_ligand/test_graphs.py
new file mode 100644
index 000000000..331391a70
--- /dev/null
+++ b/tests/protein_ligand/test_graphs.py
@@ -0,0 +1,43 @@
+"""Tests for graphein.protein_ligand.graphs"""
+
+import sys
+sys.path.append('/data/yuanqi/graphein')
+
+from functools import partial
+from pathlib import Path
+
+import networkx as nx
+import pytest
+
+from graphein.protein_ligand.config import DSSPConfig, ProteinLigandGraphConfig
+from graphein.protein_ligand.graphs import (
+    compute_chain_graph,
+    compute_secondary_structure_graph,
+    construct_graph,
+    construct_graphs_mp,
+    read_pdb_to_dataframe,
+)
+
+DATA_PATH = Path(__file__).resolve().parent / "test_data" / "3v1w.pdb"
+
+# Example-based Graph Construction test
+def test_construct_graph():
+    """Example-based test that graph construction works correctly.
+
+    Uses 3v1w PDB file as an example test case.
+    """
+    file_path = Path(__file__).parent / "test_data" / "3v1w.pdb"
+    G = construct_graph(pdb_path=str(file_path))
+    print (G)
+    assert isinstance(G, nx.Graph)
+    assert len(G) == 574
+
+    # Check number of peptide bonds
+    peptide_bond_edges = [
+        (u, v)
+        for u, v, d in G.edges(data=True)
+        if d["kind"] == {"peptide_bond"}
+    ]
+    assert len(peptide_bond_edges) == 570
+
+test_construct_graph()
\ No newline at end of file

From c83a383cfbb8b17e96105c6a7459bff601e23b87 Mon Sep 17 00:00:00 2001
From: Yuanqi Du <ydu6@gmu.edu>
Date: Tue, 26 Apr 2022 18:22:08 +0800
Subject: [PATCH 41/51] clean and refactored codes & comments added

---
 3v1w.pdb.gz                               |   Bin 0 -> 76864 bytes
 Components-smiles-stereo-oe.smi           | 37103 ++++++++++++++++++++
 graphein/protein_ligand/config.py         |    30 +-
 graphein/protein_ligand/edges/atomic.py   |    53 +-
 graphein/protein_ligand/edges/distance.py |    57 +-
 graphein/protein_ligand/graphs.py         |   606 +-
 graphein/protein_ligand/utils.py          |   282 -
 tests/protein_ligand/test_graphs.py       |     6 -
 tmp_saved_mol.pdb                         |    16 +
 9 files changed, 37271 insertions(+), 882 deletions(-)
 create mode 100644 3v1w.pdb.gz
 create mode 100644 Components-smiles-stereo-oe.smi
 create mode 100644 tmp_saved_mol.pdb

diff --git a/3v1w.pdb.gz b/3v1w.pdb.gz
new file mode 100644
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HcmV?d00001

diff --git a/Components-smiles-stereo-oe.smi b/Components-smiles-stereo-oe.smi
new file mode 100644
index 000000000..f186e01f3
--- /dev/null
+++ b/Components-smiles-stereo-oe.smi
@@ -0,0 +1,37103 @@
+COC(=O)O	000	methyl hydrogen carbonate
+COc1cc(cc(c1OC)OC)C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CCCc3ccccc3)CCCc4cccnc4)(F)F	001	1-[2,2-difluoro-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(3-pyridin-3-yl-propyl)-butyl ester
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO	002	n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-isoleucyl-l-leucine
+CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5ccncc5)C(=O)N(C1=O)C	003	5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
+c1ccc(cc1)[C@@H](C(=O)O)N	004	(2s)-amino(phenyl)ethanoic acid
+c1ccc(cc1)C[C@@H]([C@@H](C(=O)O)O)N	005	(2s,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C	006	(4r)-3-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+c1ccc(cc1)C2(CCCC2)CN	007	1-methylamine-1-benzyl-cyclopentane
+c1ccc2c(c1)C[C@H](N(C2)C(=O)C[C@@H](Cc3ccccc3F)N)C(=O)N	008	(s)-2-[(r)-3-amino-4-(2-fluoro-phenyl)-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid amide
+CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@]3(CN(C(=O)N3)Cc4ccccc4)Cc5ccccc5)O	009	(4s)-1,4-dibenzyl-n-[(1s,2r)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide
+c1cc(ccc1C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)Cl	00A	5'-o-[(s)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine
+CC1([C@H](NCS1)C(=O)O)C	00B	(4r)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+C([C@H](C(=O)O)N)S(=O)(=O)O	00C	3-sulfo-d-alanine
+C[C@H](C(C)(C)C)N	00D	(2r)-3,3-dimethylbutan-2-amine
+C1COCCN1CC(=O)O	00E	morpholin-4-ylacetic acid
+C[C@H](C[P@](=O)([C@H](Cc1ccccc1)N)O)C(=O)O	00F	(2s)-3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+c1ccn(c1)CCOc2ccc3c(c2)cc[nH]3	00G	5-[2-(1h-pyrrol-1-yl)ethoxy]-1h-indole
+c1ccc(cc1)C[C@H](N)[P@@](=O)(CCC(=O)O)O	00H	3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid
+[H]/N=C(\c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)[C@H](CCC(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N	00I	n-[(1r)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-n~2~-(naphthalen-2-ylsulfonyl)-l-alpha-glutamine
+Cc1c(c2ccc(cc2o1)Oc3ccnc4c3ccc(c4)OCCN5CCOCC5)C(=O)NC	00J	n,2-dimethyl-6-{[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy}-1-benzofuran-3-carboxamide
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCCN)[C@@H](C(=O)NC4CCCCC4)O)N	00K	(1s,7s)-7-amino-n-[(2r,3s)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
+[H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)NCCc1ccccc1)O)NC(=O)[C@@H]2CCN3N2C(=O)[C@@](CC3)(Cc4ccccc4)N	00L	(1s,7s)-7-amino-7-benzyl-n-[(1s)-4-carbamimidamido-1-{(1s)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide
+c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)N	00M	(2r,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCNC(=N)N)[C@@H](c4nccs4)O)N	00N	(1s,7s)-7-amino-7-benzyl-n-{(1s)-4-carbamimidamido-1-[(s)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1h-pyra zolo[1,2-a]pyridazine-1-carboxamide
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N	00O	beta-phenyl-d-phenylalanine
+c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)N	00P	(5s)-n-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
+[H]/N=C(\N)/NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)N	00Q	d-phenylalanyl-n-{(1s)-1-[(s)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-l-prolinamide
+c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NC4CCC(CC4)c5cnc([nH]5)N	00R	(5s)-n-[trans-4-(2-amino-1h-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
+[H]/N=C(/c1ccc(cc1)CN)\N	00S	4-(aminomethyl)benzenecarboximidamide
+c1cc(c(cc1Cl)CN)CN	00T	(4-chlorobenzene-1,2-diyl)dimethanamine
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C(=O)O)N	00U	(1s,7s)-7-amino-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxylic acid
+C(CCN)C[C@@H]([C@@H](C(=O)O)O)N	00V	(2s,3s)-3,7-diamino-2-hydroxyheptanoic acid
+[H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)O)O)N	00W	3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-l-erythro-hexonic acid
+c1ccc2c(c1)C[C@H]([C@H]2N)O	00X	(1s,2r)-1-amino-2,3-dihydro-1h-inden-2-ol
+c1csc(n1)[C@H]([C@H](CCCNC(=N)N)N)O	00Y	1-[(4s,5s)-4-amino-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]guanidine
+c1ccc(cc1)CO	010	phenylmethanol
+C(CCCN)CCC(=O)O	011	7-aminoheptanoic acid
+CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)N3)Cc4cccc(c4)OC)O	012	(4s)-n-[(1s,2r)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide
+c1c(scn1)COC(=O)O	013	1,3-thiazol-5-ylmethyl hydrogen carbonate
+c1c2c(cc(c1F)Cl)nc([nH]2)n3cc(cn3)C(=O)O	014	1-(5-chloro-6-fluoro-1h-benzimidazol-2-yl)-1h-pyrazole-4-carboxylic acid
+c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)N	015	(2s,3s,5s)-2,5-diamino-1,6-diphenylhexan-3-ol
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C	016	(4r)-3-[(2r,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	017	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropylcarbamate
+c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCc2ccsc2	018	2-nitro-n-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline
+CC(C)c1nc(cs1)CN(C)C(=O)O	019	methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamic acid
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)Cl)O	01A	4-chlorophenacyl-coenzyme a
+c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N	01B	(2s,3r)-3-amino-2-hydroxy-4-phenylbutanoic acid
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)C(C(F)(F)F)(F)F)N	01C	(4s)-4-amino-1,1,1,2,2-pentafluoro-5-(1h-indol-3-yl)pentan-3-one
+C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)NC(=O)[C@H](CC(=O)n2cccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)CC(C)(C)C	01E	(2s)-2-(3,3-dimethylbutanoylamino)-n-[(2s)-1-[[(2s,3s)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide
+CCOC(=O)O	01F	ethyl hydrogen carbonate
+C1COCCN1c2nc3c(n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC3=O)N	01G	8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate)
+C(CCNN)CN	01H	4-hydrazinylbutan-1-amine
+c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O	01I	naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N[C@@H](N3CCOCC3)O	01J	n-[(s)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-d-phenylalanine
+CC(=O)N[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)N	01K	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r,20r)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate
+B([C@H](CCCOC)N)(O)O	01L	[(1r)-1-amino-4-methoxybutyl]boronic acid
+[H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)O	01M	(3s)-1-carbamimidoylpiperidine-3-carboxylic acid
+C1CCC(CC1)C[C@H](C(=O)O)NCC(=O)O	01N	n-(carboxymethyl)-3-cyclohexyl-d-alanine
+[H]/N=C(\c1cc(cn1C)CN)/N	01O	4-(aminomethyl)-1-methyl-1h-pyrrole-2-carboximidamide
+COc1cc(ccc1N2CCOCC2)Nc3nccc(n3)Nc4cc5ccccc5nc4	01P	n~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-n~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
+[H]/N=C(\c1ccc(n1C)CN)/N	01Q	5-(aminomethyl)-1-methyl-1h-pyrrole-2-carboximidamide
+c1cnccc1NCCN	01R	n-(pyridin-4-yl)ethane-1,2-diamine
+	01S	n-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-alanylglycinamide
+CCc1c(c(c(c(n1)CC(C)(C)C)CN)c2ccc(cc2)C)CC(=O)O	01T	[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid
+c1cc2c(cc1N)sc(n2)N	01U	1,3-benzothiazole-2,6-diamine
+c1cc(c(cc1Cl)CN)Cl	01V	1-(2,5-dichlorophenyl)methanamine
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCC[C@@H](C(=O)[O-])[NH3+]	01W	(2s)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate
+c1cc(c(cc1Cl)CN)OCC(=O)O	01X	[2-(aminomethyl)-4-chlorophenoxy]acetic acid
+C1CCC(C1)OCC(=O)O	01Y	(cyclopentyloxy)acetic acid
+C1CCC(CC1)OCC(=O)O	01Z	(cyclohexyloxy)acetic acid
+c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])C(F)(F)F	020	n-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline
+C1CCC(C1)NCC(=O)O	021	n-cyclopentylglycine
+Cc1cc(ccc1n2c(ccc2c3ccc(cc3)n4ccnc4)CCC(=O)O)C(=O)N	022	3-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1h-imidazol-1-yl)phenyl]-1h-pyrrol-2-yl}propanoic acid
+C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O	023	n^2^-[(2r)-2-{(1s)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-n,3-dimethyl-l-valinamide
+c1cc(cc(c1)NC2CCCCC2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br	024	4-bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]thiophene-2-carboxylic acid
+c1cc(cc(c1)S(=O)(=O)O)C(F)(F)F	025	3-(trifluoromethyl)benzenesulfonic acid
+C1CN(CCN1)CCCN	026	3-(piperazin-1-yl)propan-1-amine
+Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2ccc(c3)N4CCN(CC4)C)C(C)C	027	7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1h-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2h)-one
+CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O	028	(1-hydroxyheptane-1,1-diyl)bis(phosphonic acid)
+[H]/N=C(\N)/NCC1CCC(CC1)C(=O)O	029	cis-4-(carbamimidamidomethyl)cyclohexanecarboxylic acid
+C1CN[C@@H]1C(=O)O	02A	(2s)-azetidine-2-carboxylic acid
+Cc1cc(c(c(c1S(=O)(=O)O)C)C)OC	02B	4-methoxy-2,3,6-trimethylbenzenesulfonic acid
+[H]/N=C(/c1csc(n1)CN)\N	02C	2-(aminomethyl)-1,3-thiazole-4-carboximidamide
+[H]/N=C(/c1ccc(s1)CN)\N	02D	5-(aminomethyl)thiophene-2-carboximidamide
+CO/C=C/C[C@@H](N)P(O)(O)(Oc1ccccc1)Oc2ccccc2	02E	(e,1s)-1-[dihydroxy(diphenoxy)-$l^{5}-phosphanyl]-4-methoxy-but-3-en-1-amine
+COCCC[C@@H](N)P(=O)(O)O	02F	[(1s)-1-amino-4-methoxybutyl]phosphonic acid
+C(CS)/C=C/[C@H](CC(=O)O)O	02G	(3s,4e)-3-hydroxy-7-sulfanylhept-4-enoic acid
+c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccc(cc2)c3cccnc3)N)O)N	02H	(2s,3s,5s)-2,5-diamino-6-phenyl-1-[4-(pyridin-3-yl)phenyl]hexan-3-ol
+c1nc(c2c(n1)n3c(n2)[C@@H]([C@@H]4[C@H](C[C@H]3O4)O)OP(=O)(O)O)N	02I	(6s,7s,8s,10r)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6h-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate
+Cc1cc(no1)C(=O)O	02J	5-methyl-1,2-oxazole-3-carboxylic acid
+C1CCC(CC1)(C(=O)O)N	02K	1-aminocyclohexanecarboxylic acid
+CC(C)(C)CNC(=O)C[C@@H](C(=O)O)N	02L	n-(2,2-dimethylpropyl)-l-asparagine
+Cc1ccc(cc1)CN	02N	1-(4-methylphenyl)methanamine
+CC(C)(C)c1nc(on1)C[C@@H](C(=O)O)N	02O	3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-l-alanine
+C[n+]1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl	02P	d-phenylalanyl-n-[(4-chloro-1-methylpyridinium-2-yl)methyl]-l-prolinamide
+Cc1ccccc1CCC(=O)O	02Q	3-(2-methylphenyl)propanoic acid
+c1ccc(c(c1)CN)Cl	02R	1-(2-chlorophenyl)methanamine
+c1ccc(cc1)COc2ccc(cc2)C(=O)O	02S	4-(benzyloxy)benzoic acid
+Cc1ccsc1CN	02T	1-(3-methylthiophen-2-yl)methanamine
+CCC(C)CCCC=CCCCCCCCC(=O)O	02U	14-methylhexadec-9-enoic acid
+CN[C@@H](c1ccc(c(c1)O)O)C(=O)O	02V	(2s)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid
+Cc1nc2ccccc2n1CCN	02W	2-(2-methyl-1h-benzimidazol-1-yl)ethanamine
+CC(C)[C@H](CC(=O)O)C(=O)O	02X	(2s)-2-(propan-2-yl)butanedioic acid
+C(CC(=O)C[N+]#N)[C@@H](C(=O)O)N	02Y	6-diazonio-5-oxo-l-norleucine
+c1ccc(cc1)Nc2nc(c(s2)C(=O)N)N	02Z	4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide
+C1[C@H](C[C@@H]2[C@H]1[C@H](CO2)O)OC(=O)O	030	(3r,3ar,5r,6ar)-3-hydroxyhexahydro-2h-cyclopenta[b]furan-5-yl hydrogen carbonate
+COc1ccc(cc1)S(=O)(=O)[N@@](C[C@H]2CCC(=O)N2)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@@H]4C[C@@H]5CCO[C@@H]5C4)O	031	(3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl [(1s,2r)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2r)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F	032	n-(3-{[5-(4-chlorophenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
+CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c3cc4ccccc4o3	033	n-({4'-[(1-benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-yl}sulfonyl)-l-valine
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cc([nH]5)C(=O)O	034	5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1h-indole-2-carboxylic acid
+C(CC[C@@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O	035	(2s)-2,7-bis(phosphonooxy)heptanoic acid
+C(CC[C@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O	036	(2r)-2,7-bis(phosphonooxy)heptanoic acid
+C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)O	037	(1s,3ar,6as)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid
+CC(C)C[C@@H](C(=O)NC[C@](CCc1ccccc1)(C(=O)Nc2cccc(c2)C(=O)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)c3[nH]nnn3)N	038	3-[[(2s)-2-[[[(2s)-2-[[(2s)-2-[[(2s)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid
+COc1ccccc1N2C(=Nc3cccc(c3C2=O)Cl)CSc4c5c([nH]cn5)ncn4	039	2-((9h-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3h)-one
+CCCC(C(=O)C(=O)NC1CC1)N	03A	(3s)-3-amino-n-cyclopropyl-2-oxohexanamide
+Cc1c(c(c(n1C)c2ccc(cc2)Cl)c3cccc(c3)N4CCN(CC4)c5ccc(cc5)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7)C(=O)O	03B	5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1h-pyrrole-3-carboxylic acid
+Cc1ccccc1n2c(c(cn2)C(=O)c3cccc(c3)C4CCN(CC4)S(=O)(=O)C)N	03C	[5-amino-1-(2-methylphenyl)-1h-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone
+CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2CC2)C[C@@H]([C@H](Cc3ccccc3)O)O)O)O	03D	(2r,4s,5s)-n-[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide
+C1CCCC(CC1)(C(=O)O)N	03E	1-aminocycloheptanecarboxylic acid
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O	03F	(9z)-n-[(2s,3r,4e)-1-(beta-d-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide
+CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Cl)C	03G	n-(4-chlorophenyl)-n'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
+CC(C)C[C@@H](C(=O)O)Cl	03H	(2s)-2-chloro-4-methylpentanoic acid
+C[C@@](CCc1ccc(cc1)c2ccc(cc2)OCCCN3CCOCC3)(C(=O)NO)S(=O)(=O)C	03I	(2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)O	03J	3-[4-(4-phenylthiophen-2-yl)phenyl]propanoic acid
+c1cc(ccc1C(=O)N)C(=O)Nc2cc([nH]n2)C3CC3	03K	n-(5-cyclopropyl-1h-pyrazol-3-yl)benzene-1,4-dicarboxamide
+c1ccc(c(c1)C(=O)NCc2c(cccc2Cl)Sc3ccc(cc3Cl)Cl)C(=O)O	03L	2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid
+Cc1c(ccc2c1[nH]cc2/C=C\3/C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl	03M	(5z)-5-[(6-chloro-7-methyl-1h-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione
+[H]/N=C(\N)/N1CCC(CC1)CN	03N	4-(aminomethyl)piperidine-1-carboximidamide
+CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)O	03O	4-({[(6s)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid
+CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O	03P	n-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
+c1cc(cc(c1)Oc2c(cc(cn2)Nc3c4c(ccn4CCOCCO)ncn3)Cl)C(F)(F)F	03Q	2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol
+[H]/N=C(/c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccccc3C(=O)O)F)N[C@@H](C)CCc4ccccc4)F)\N	03R	2-({6-{3-[amino(imino)methyl]phenoxy}-3,5-difluoro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl}oxy)benzoic acid
+CS(=O)(=O)O	03S	methanesulfonic acid
+c1ccc2c(c1)cc(s2)S(=O)(=O)N	03T	1-benzothiophene-2-sulfonamide
+CC/C(=C(\C#N)/C(=O)Nc1ccc(c(c1)C(=O)OC)c2ccc(cc2)F)/O	03U	methyl 4-{[(2z)-2-cyano-3-hydroxypent-2-enoyl]amino}-4'-fluorobiphenyl-2-carboxylate
+c1ccc2cc(ccc2c1)O	03V	naphthalen-2-ol
+C([C@H](C(O)O)O)O	03W	(2r)-propane-1,1,2,3-tetrol
+CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC	03X	n-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide
+C[C@](CS)(C(=O)O)N	03Y	2-methyl-l-cysteine
+c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	03Z	4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
+Cc1ccccc1C(=O)CC(=O)C(=O)O	040	4-(2-methylphenyl)-2,4-dioxobutanoic acid
+C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O	041	2-(3-fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol
+CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC	042	n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-threonyl-l-isoleucine
+c1cc(cc(c1)Br)C(=O)CC(=O)C(=O)O	043	4-(3-bromophenyl)-2,4-dioxobutanoic acid
+CC1=C(C(=O)N(N1C[C@@H](C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC	044	n-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2r)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)CO)O)O)O)O	045	beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranosyl alpha-d-glucopyranoside
+CC(=O)Nc1cc(ncn1)Oc2ccc3c(c2)CCN3C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	046	5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1h-indole-1-carboxamide
+Cc1ccc(cc1)n2cc(c3c2cccc3)CNCC4CCCCC4	047	1-cyclohexyl-n-{[1-(4-methylphenyl)-1h-indol-3-yl]methyl}methanamine
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCCCC4=O	048	n-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)amino]phenyl}benzamide
+CC(=O)N[C@@H](Cc1ccccc1)[C@H]([C@]2(CO2)C)O	049	2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-d-xylitol
+c1ccc(cc1)CC(=O)Nc2nnc(s2)CCSCCc3nnc(s3)NC(=O)Cc4ccccc4	04A	n,n'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide)
+C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)N)O	04B	2-amino-1,2,4-trideoxy-4-methyl-1-phenyl-d-xylitol
+C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3)O	04C	1,2,4-trideoxy-4-methyl-2-{[n-(morpholin-4-ylacetyl)-l-alanyl-o-methyl-l-tyrosyl]amino}-1-phenyl-d-xylitol
+C[C@H](CO)[C@H]([C@H](CC(C)C)N)O	04D	(2r,3r,4s)-4-amino-2,6-dimethylheptane-1,3-diol
+C(C(=O)O)I	04E	iodoacetic acid
+C1CNC(=O)[C@@H]1C[C@@H]([C@@H](O)S(=O)(=O)O)N	04F	(1s,2s)-2-amino-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1cc2c(cc1O)OC3=CC(=O)C=CC3=N2	04G	7-hydroxy-3h-phenoxazin-3-one
+[H]/N=C(\N)/N1CCC[C@H](C1)CN	04H	(3s)-3-(aminomethyl)piperidine-1-carboximidamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N	04J	aminopterin
+CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4)F)C	04K	2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1ccc(cc1C(=O)Nc2cc3c([nH]c(n3)c4ccccc4)nc2)NC(=O)/C=C/c5ccccc5	04L	2-methyl-n-(2-phenyl-3h-imidazo[4,5-b]pyridin-6-yl)-5-{[(2e)-3-phenylprop-2-enoyl]amino}benzamide
+CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3	04M	5-(morpholin-4-ylsulfonyl)-2-{[3-(octyloxy)benzyl]oxy}benzoic acid
+c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O	04N	2-amino-2-deoxy-4,6-o-(phenylmethylidene)-alpha-d-glucopyranose
+c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O	04O	2-amino-2-deoxy-4,6-o-[(1r)-3-phenylpropylidene]-alpha-d-glucopyranose
+[H]/N=C(\N)/N1CCC[C@H](C1)CO	04P	(3r)-3-(hydroxymethyl)piperidine-1-carboximidamide
+c1ccc(cc1)CNCC(=O)O	04Q	n-benzylglycine
+C1CCc2c(c(nn2CC(=O)O)C(F)(F)F)C1	04R	[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetic acid
+C1CNC[C@@H]1N	04S	(3r)-pyrrolidin-3-amine
+CC(=O)Nc1ccc(cc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)C	04T	n-(4-{[4-(methylsulfonyl)-2-nitrophenyl]amino}phenyl)acetamide
+C1[C@@H](CN[C@@H]1C(=O)O)N=[N+]=N	04U	azanylidene-[(3s,5s)-5-carboxypyrrolidin-3-yl]imino-azanium
+[H]/N=C(/[C@@H]1CCCN1)\O	04V	(2s)-pyrrolidine-2-carboximidic acid
+CCCCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)[N+](=O)[O-]	04W	2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid
+C1COCCN1CC2=CC[C@H](NC2)C(=O)O	04X	(2s)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid
+c1ccc(cc1)c2ccncc2N3CCC(CC3)C(=O)NC4CC4	04Y	n-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide
+COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	04Z	4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H]4CC[C@H](C[C@H]4C(=O)O)C(=O)O	051	(1r,3r,4s)-4-[({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)amino]cyclohexane-1,3-dicarboxylic acid
+Cc1cc(ccc1C(=O)NC2CC2)c3cnn4c3nc(cc4NCCN5CCOCC5)Oc6ccccc6	052	n-cyclopropyl-2-methyl-4-(7-{[2-(morpholin-4-yl)ethyl]amino}-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzamide
+c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O	053	1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1h-indole-2-carboxylic acid
+c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)N4C(=O)c5cscc5NC4=O	054	1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4h)-yl)-5-(trifluoromethyl)-1h-indole-2-carboxylic acid
+Cc1cccc(c1NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](c4ccccc4)C(=O)O)Cl	055	(2s)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid
+c1cc(cc(c1)C(=O)O)CSCc2ccc(cc2Cl)Cl	056	3-[(2,4-dichlorophenyl)methylsulfanylmethyl]benzoic acid
+CC(C)(CO)NC(=O)c1ccc2c(c1)c(cn2C)c3cc4cccnc4[nH]3	057	n-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indole-5-carboxamide
+c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl	058	1-benzyl-5-chloro-3-(2-fluorophenyl)-1h-indole-2-carboxylic acid
+CC(C)[C@H](NS(=O)(=O)CCc1ccccc1)[P@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	059	(2s)-2-[3-(aminomethyl)phenyl]-3-{(s)-hydroxy[(1r)-2-methyl-1-{[(2-phenylethyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid
+c1cc2c(cc1c3nccc(n3)c4cc5c([nH]4)C6(CCNCC6)CNC5=O)OCO2	05B	2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'h)-one
+Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5CCNC[C@H]5C)OC[C@@H]6CCCN6C)C3	05C	7-(8-methylnaphthalen-1-yl)-4-[(2~{r})-2-methylpiperazin-1-yl]-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine
+Cc1cnn(c1)c2ccncc2N3CCC(CC3)C(=O)N(C)C	05D	n,n-dimethyl-1-[4-(4-methyl-1h-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide
+Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5[C@@H]6CC[C@H]5CNC6)OC[C@@H]7CCCN7C)C3	05F	4-[(1~{r},5~{s})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine
+Cc1cccc2c1c(ccc2)N3CCc4c(nc(nc4N5C[C@H]6CC[C@@H](C5)N6)OC[C@@H]7CCCN7C)C3	05I	4-[(1~{s},5~{r})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{s})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidine
+CC[C@]1(CCc2c1nc(cc2)N3c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)C(=O)N3CC=C)O	05J	1-[(7r)-7-ethyl-7-hydroxy-6,7-dihydro-5h-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	05L	heptyl 1-seleno-beta-d-glucopyranoside
+CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccc4	05M	2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione
+C[C@H]1[C@H](CN[C@@H]1C(=O)O)O	05N	(3r,4r)-4-hydroxy-3-methyl-l-proline
+c1cc(ccc1C[C@@H](C(=O)O)N)OC(F)(F)F	05O	(2s)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanal
+c1cc(c(cc1CC(=O)O)Cl)Cl	05R	2-(3,4-dichlorophenyl)ethanoic acid
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](CNCCC2)C)C(=O)N	05S	(6s)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide
+[H]/N=C(\N)/NC1CCC(CC1)CN	05T	1-[4-(aminomethyl)cyclohexyl]guanidine
+CC(C)C[C@@H]([C@H](C(C)C)O)N	05U	(3s,4s)-4-azanyl-2,6-dimethyl-heptan-3-ol
+C[C@H](CO)[C@@H]([C@H](CC(C)C)N)O	05W	(2r,3s,4s)-4-azanyl-2,6-dimethyl-heptane-1,3-diol
+CN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F	05X	2,4,6-tris(fluoranyl)-n-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamide
+CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3	05Y	~{n}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide
+CSC[C@H](C(=O)O)N	060	s-methyl-d-cysteine
+CCCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)O	061	2-butyl-6-hydroxy-3-[2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-quinazolin-4-one
+c1ccc2c(c1)-c3c[n+](ccc3[C@]2(C(=O)N4CCC[C@H]4C(=O)NCc5cc(ccc5CN)Cl)O)[O-]	062	3-aza-9-hydroxy-9-fluorenylcarbonyl-l-prolyl-2-aminomethyl-5-chlorobenzylamide, n-oxide
+C[C@]1(c2cc(c(cc2CCN1)OCCOCCNC(=O)[C@H](CCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Oc3ccc(c(c3)F)c4ccc(cc4)C(=O)O)CC(=O)Nc5nccs5	063	4'-{[(1r)-6-{2-[2-({n~5~-[n,n'-bis(tert-butoxycarbonyl)carbamimidoyl]-n~2~-(tert-butoxycarbonyl)-l-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(c(c3)Cl)\C=C\c4cccc(c4)C(=O)O	064	3-[(e)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	065	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(2s,3r)-3-hydroxy-4-(n-isobutylbenzo[d][1,3]dioxole-5-sulfonamido)-1-phenylbutan-2-ylcarbamate
+Cc1cc(cc2c1ncc(c2Nc3cccc(c3)OC)C(=O)N)S(=O)(=O)c4cccc(c4)C(=O)N(C)C	066	6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide
+c1cc(ccc1n2cc(nn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N	067	p-(4-ruthenocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide
+CC(=O)c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O	068	(3s)-5-(4'-acetylbiphenyl-4-yl)-3-hydroxypentanoic acid
+c1cc(cc(c1)O)C(=O)NO	069	n,3-dihydroxybenzamide
+C[C@H](C(=O)N1CC2(C1)CC(C2)F)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3	06A	 1-cyclopentyl-6-[[(2r)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5h-pyrazolo[3,4-d]pyrimidin-4-one
+COc1ccc(c(c1C(=O)O)OC)Br	06B	3-bromo-2,6-dimethoxybenzoic acid
+CI	06C	iodomethane
+CCC(=O)N1CCC[C@H]1c2ccc(cc2)OC	06D	1-[(2~{s})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
+c1c(cnc2c1sc3c2N=C(NC3=O)CNCCCCCC(=O)O)Br	06E	6-[(11-bromanyl-6-oxidanylidene-8-thia-3,5,13-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl)methylamino]hexanoic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccc5c(c4)CCCCC5=O	06F	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-2-yl)amino]phenyl}urea
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](C(=O)N(CCC2)C)C)C(=O)N	06H	(6s)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide
+Cc1c(ncs1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	06I	5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NC[C@H]5CCCN5CCC2)C(=O)N	06J	(3ar)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13h-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide
+CS(=N)(=O)C1(CC1)c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5=CN(C(=O)c6c5cc[nH]6)CCC=C	06M	6-(but-3-en-1-yl)-4-[6-{1-[(r)-s-methanesulfonimidoyl]cyclopropyl}-2-(1h-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+CCCNc1nn2c(cnc2s1)c3ccc(cc3)O	06N	4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol
+C[n+]1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	06P	d-phenylalanyl-n-[(1-methylpyridinium-4-yl)methyl]-l-prolinamide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F	06R	2-[4-(trifluoromethyl)phenyl]-3h-quinazolin-4-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)COP(=O)(O)S)S)OP(=O)(O)S)O)NC(=NC2=O)N	06S	o-[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[(s)-({(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (s)-phosphorothioate
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H]([C@@H](CN(CC2)C(=O)[C@H](C)N)C)C)C(=O)N	06T	(5r,6s)-3-(l-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccncc3	06U	6-ethyl-5-{(3r)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)N3CCOCC3	06V	6-ethyl-5-{(3r)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3ccncc3	06W	6-ethyl-5-{(3s)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN	06X	amlodipine
+c1ccc(cc1)OCC(=O)O	06Y	2-phenoxyethanoic acid
+c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)F)N	06Z	{4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
+c1ccc(cc1)C[C@@H]2[C@H](O2)[C@@H]([C@H](Cc3ccccc3)N)O	070	(1r,2s)-2-azanyl-3-phenyl-1-[(2r,3r)-3-(phenylmethyl)oxiran-2-yl]propan-1-ol
+Cn1c-2c(c(n1)C(=O)N)CCc3c2nc(nc3)Nc4cc(ccc4OC)N5CCN(CC5)C	071	8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+CCCCCCC[C@H]1N(C(=O)[C@@H](S1)CC(=O)N(Cc2ccccc2)Cc3ccccc3)CCCCc4ccc(cc4)C(=O)O	072	(+/-)(2s,5s)-3-(4-(4-carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine
+COC(=O)c1ccc(cc1)[C@@](C\C=C\c2ccccc2)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4	073	(4-{(2s,4e)-2-(1h-1,2,3-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-enyl}phenyl)(difluoro)methylphosphonic acid
+CCCNC(=O)[C@H](CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)O)O	074	[propylamino-3-hydroxy-butan-1,4-dionyl]-isoleucyl-proline
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CS(=O)(=O)C)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C	075	(4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-l-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]2[C@H](O2)Cc3ccccc3)O)NC(=O)COc4ccccc4	076	(s)-n-((1r,2s)-1-((2r,3r)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide
+c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O	077	(3s)-5-biphenyl-4-yl-3-hydroxypentanoic acid
+c1ccc(cc1)C[C@@H]([C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)N	078	(2r,3r,4r,5s)-3,5-bis(azanyl)-1,6-diphenyl-hexane-2,4-diol
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@@H](Cc2ccccc2)O)N)O)NC(=O)COc3ccccc3	079	(s)-n-((2s,3s,4r,5r)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide
+COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)O)O	07B	dimethyl (1s,2s,4s,5s)-4,5-dihydroxycyclohexane-1,2-dicarboxylate
+CSc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-]	07C	2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline
+CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)C(=O)C)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C	07D	trans-geranyl bacteriochlorophyll a
+C[C@@H](CCO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O	07E	(3s)-3-hydroxybutyl beta-d-xylopyranoside
+CC1=C(C(=O)N(C(=N1)c2cccc(c2O)F)CCc3ccccc3)Cc4ccccc4	07F	5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3h)-one
+CC(C)(C)NC(=O)[C+](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(c(c3)F)F)C=O	07G	2-(tert-butylamino)-1-(2-carboxy-6-chloro-1h-indol-3-yl)-1-[(3,4-difluorobenzyl)(formyl)amino]-2-oxoethylium
+c1ccc2c(c1)C=C(CO2)CN3CCN(CC3)C(=O)c4cccc(c4)c5ccn[nH]5	07H	[4-(2h-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1h-pyrazol-5-yl)phenyl]methanone
+C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2CC(=CC(=O)O2)C)C)NC(=O)/C=C\[C@H](C)OC(=O)C	07I	spliceostatin e (form i)
+CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl	07J	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea
+Cc1cccc2c1nccc2N	07K	8-methylquinolin-4-amine
+c1cc2c(cc1O)OC(=O)C=C2	07L	7-hydroxy-2h-chromen-2-one
+c1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3	07M	8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1h-pyrano[3,4-c]pyridine-5-carbonitrile
+Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2F)c3ncc(s3)C(=O)O)Cl)Cl	07N	2-[(3s,4r)-4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
+C[C@@H](c1ccccc1)C(=O)SC[C@@H](C(=O)O)N	07O	s-[(2s)-2-phenylpropanoyl]-l-cysteine
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCC[C@@H]2C[C@H]2CCCCCCCCCC)O	07P	n-[(2s,3r)-10-[(1r,2r)-2-decylcyclopropyl]-1-(alpha-d-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide
+C[C@H](c1cccc(c1)OC)NC(=O)Nc2nc(cs2)c3ccncc3	07Q	1-[(1r)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
+c1cc(cc(c1)O)CNC(=O)Nc2nc(cs2)c3ccncc3	07R	1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
+c1cc(cnc1)c2cnc(s2)Nc3cc(ccn3)N4CCN(CC4)CC(=O)N5CCOCC5	07S	1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone
+Cn1c2cc(sc2c3c1C(=O)N(N=C3)Cc4cccc(c4)N)[S@](=O)C	07T	6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
+CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N	07U	2-methyl-n~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine
+CC1=CC[C@H](CC1=O)C(=C)C	07V	(5r)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O	07Y	(2s,3r,4r,5r)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol
+c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)O)N	07Z	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid
+C[C@]1(C(=O)NC(=O)O1)c2cccc(c2)CN3c4ccccc4N(C3=O)c5c6ccc(cc6on5)OC	082	(5r)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione
+Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C	083	4,6-dimethyl-n'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamide
+C[C@@H](c1ccccc1)Nc2nccc(n2)c3c(nc(n3C)C4CCNCC4)c5cccc(c5)C(F)(F)F	084	4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1h-imidazol-2-yl]-piperidine
+c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5	085	4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1h-imidazol-2-yl]benzamide
+Cc1c(c(c([nH]1)C(=O)NC2CCN(CC2)c3cc(cc(n3)Cl)C(=O)N)Cl)Cl	087	2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4c(c3)ccn4Cc5cccc(c5)C(=O)O	088	3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1h-indol-1-yl)methyl]benzoic acid
+CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3cc(c4c(c3)CN(CC4)C(=O)c5ccccc5)C	08A	(3s)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1h-benzotriazol-5-yl)propanoic acid
+Cc1c(cc([nH]1)C(=O)NC2CCN(CC2)c3c(cccn3)[N+](=O)[O-])Br	08B	4-bromo-5-methyl-n-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1h-pyrrole-2-carboxamide
+COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	08C	2-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one
+Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N	08D	sulfamethoxazole
+c1cc2c(cc1Cl)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O	08E	1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid
+CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NC(=O)c2c(c3cc(ccc3n2Cc4ccnc(c4)N)Cl)C5=CC=CNC5=O	08F	1-[(2-aminopyridin-4-yl)methyl]-5-chloro-n-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide
+C[C@@H](c1ccccc1)NC(=O)Nc2cc3c(cn[nH]3)c(n2)CO	08G	1-[4-(hydroxymethyl)-1h-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1s)-1-phenylethyl]urea
+Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl	08H	8-chloro-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
+CCc1c(c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c\5/c6n/c(c\c1[nH]2)/C(=C6C(=O)[C@@H]5C(=O)OC)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)C(=C3C(=O)C)C)C	08I	trans-geranyl bacteriopheophytin a
+Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl	08J	8-chloro-6-(2-fluorophenyl)-1-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine
+Cc1nnc2n1-c3ccc(cc3C(=NN2C)c4ccccc4)Cl	08K	8-chloro-1,4-dimethyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine
+c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)C=CC(=O)N[C@H](C(=O)N2)CC3CCCCC3)C(=O)O)CCCNC(=O)c4cnccn4	08L	(2s,5s,8s,13s,16z)-5-benzyl-2-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxylic acid
+c1cnc(cn1)C(=O)NCCC[C@@H](C(=O)O)N	08M	n~5~-(pyrazin-2-ylcarbonyl)-l-ornithine
+C([C@H](C(=O)O)NC(=O)C(=O)O)S	08P	n-(carboxycarbonyl)-d-cysteine
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(NCCS)O)O	08Q	5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3OC	08R	6-{[(3s,4s)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3c(c4ccc(cc4s3)F)Cl	08S	3-chloro-6-fluoro-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]-1-benzothiophene-2-carboxamide
+[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F	08T	[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium 
+C([C@H]1[C@@H]([C@H]([C@H](O1)NC(=O)CBr)O)O)O	08U	2-bromanyl-n-[(2s,3r,4r,5s)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide
+CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C	08W	n-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1h-imidazole-4-carboxamide
+c1ccc(cc1)C=CC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)/C=C\C(=O)N2)C(=O)N)CCCNC(=O)c3cnccn3)CC4CCCCC4	08X	(2s,5s,8s,13s,16z)-5-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-2-(3-phenylprop-2-en-1-yl)-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxamide
+CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O	08Y	bromoergocryptine
+c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)C(=O)N)N	08Z	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide
+COc1ccc2c(c1OC)nc([n+]3c2[nH]cc3)NC(=O)c4cccnc4	090	n-(2,3-dihydro-7,8-dimethoxyimidazo[1,2-c] quinazolin-5-yl)nicotinamide
+c1ccc2c(c1)[C@]3(CCNC3)C(=O)N2	091	(3s)-spiro[indole-3,3'-pyrrolidin]-2(1h)-one
+COC(=O)[C@H]1C[C@@]2(CN1)c3ccccc3NC2=O	092	methyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+CC1=C(SC(=NC(=O)C)N1)c2ccc(c(c2)S(=O)(=O)NCCO)Cl	093	n-(5-(4-chloro-3-(2-hydroxy-ethylsulfamoyl)- phenylthiazole-2-yl)-acetamide
+c1cc(c(c(c1)Cl)N2c3cc(c(nc3CNC2=O)Sc4ccc(cc4F)F)C5=CCNCC5)Cl	094	1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]-7-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1h)-one
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4CCOCC4)C(=O)N2	095	tetrahydro-2h-pyran-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+CN1CCN(CC1)CCCc2cc(c(cc2[C@@H]3N(C(=O)CS3)c4cccnc4)OC)O	096	(2r)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-one
+CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C	097	(2s,3r)-n~4~-[(1s)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-n~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)[C@@H](C(=O)NO)NCC4CC4)O	098	(3r)-n~2~-(cyclopropylmethyl)-n~1~-hydroxy-3-(3-hydroxybenzyl)-n~4~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-l-aspartamide
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)CC(=O)NO)O	099	(2r)-n~4~-hydroxy-2-(3-hydroxybenzyl)-n~1~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]butanediamide
+c1ccc(cc1)COC(=O)[C@H]2C[C@@]3(CN2)c4ccccc4NC3=O	09A	benzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(cc4)C#N)C(=O)N2	09B	4-cyanobenzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1cc2c(cc1Br)[nH]cc2[C@H]3C(=O)NCC(N3)c4c[nH]c5c4ccc(c5)Br	09C	(3s,5r)-3,5-bis(6-bromo-1h-indol-3-yl)piperazin-2-one
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCSc5c4cc(cc5)Br)C(=O)N2	09D	(4s)-6-bromo-3,4-dihydro-2h-thiochromen-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCS(=O)(=O)c5c4cc(cc5)Br)C(=O)N2	09E	(4s)-6-bromo-1,1-dioxido-3,4-dihydro-2h-thiochromen-4-yl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4(CCCCC4)C#N)C(=O)N2	09F	1-cyanocyclohexyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(c(c4)Br)C#N)C(=O)N2	09G	3-bromo-4-cyanobenzyl (3s,5'r)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
+c1ccc(c(c1)NC(=O)c2csc(n2)c3ccc4c(c3)CCO4)N5CCNCC5	09H	2-(2,3-dihydro-1-benzofuran-5-yl)-n-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3c(o2)cccc3F)N4CCCCCC4)N	09I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide
+CCN1C(=O)C(=Cc2n1c(nn2)c3c(cccc3Cl)F)c4cc(ccc4C)C(=O)NC5CC5	09J	3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-n-cyclopropyl-4-methylbenzamide
+c1cc(ccc1CC(=O)Nc2cc(n[nH]2)C3CC3)OC(F)(F)F	09K	n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
+c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F	09L	4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2h)-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccccc3N(C2=O)O)O	09M	(5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)O)O	09N	(11z,14z)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
+c1cc(cnc1)N2CCCNCC2	09O	1-(pyridin-3-yl)-1,4-diazepane
+CCOc1cc(cnc1)N2CCCNCC2	09P	1-(5-ethoxypyridin-3-yl)-1,4-diazepane
+c1ccc(cc1)c2cc(cnc2)N3CCCNCC3	09Q	1-(5-phenylpyridin-3-yl)-1,4-diazepane
+c1cc(ncc1N2CCCNCC2)Br	09R	1-(6-bromopyridin-3-yl)-1,4-diazepane
+CCOc1cc(cnc1Br)N2CCCNCC2	09S	1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane
+Cc1cc2c(cc1C)n(cn2)Cc3ccc(c(c3)Cl)Cl	09T	1-(3,4-dichlorobenzyl)-5,6-dimethyl-1h-benzimidazole
+COCC1CC1	09U	(methoxymethyl)cyclopropane
+C1CC1CO	09V	cyclopropylmethanol
+C([C@H]1[C@@H]([C@H]([C@@H](O1)NC(=O)CBr)O)O)O	09X	2-bromanyl-n-[(2r,3r,4r,5s}-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide
+CC(C)Nc1nc(c(s1)C(=O)c2cccnc2)N	09Z	[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N	0A	l-adenosine-5'-monophosphate
+C[C@](CC(=O)O)(C(=O)O)N	0A0	2-methyl-l-aspartic acid
+COc1ccc(cc1)C[C@@H](C(=O)O)N	0A1	o-methyl-l-tyrosine
+[B-]([C@H](CCCCN)N)(O)(OCC)OCC	0A2	[(1r)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-)
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c2csc(n2)N)C(=O)O	0A3	(2r)-2-[(r)-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2cccs2	0A4	(2r)-2-{(r)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C(CC(=O)O)CBr	0A5	4-bromobutanoic acid
+CCOC(=O)[C@@H](CC(=O)O)O	0A6	(3r)-4-ethoxy-3-hydroxy-4-oxobutanoic acid
+c1ccc(c(c1)CC(=O)O)C(=O)O	0A7	2-(carboxymethyl)benzoic acid
+C(CCl)NC(=O)SC[C@@H](C(=O)O)N	0A8	s-[(2-chloroethyl)carbamoyl]-l-cysteine
+COC(=O)[C@H](Cc1ccccc1)N	0A9	methyl l-phenylalaninate
+CC(C)[C@@H](C(=O)OC)N	0AA	methyl l-valinate
+C[C@H]1C=COC(=O)[C@H]1N	0AB	(3s,4s)-3-amino-4-methyl-3,4-dihydro-2h-pyran-2-one
+c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N	0AC	(4s,5s)-5-amino-4-hydroxy-6-phenylhexanoic acid
+CCCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	0AD	2'-deoxy-n-propylguanosine 5'-(dihydrogen phosphate)
+CC(C)[C@H]1C2(CCC2)C[NH+]1Cc3ccc4c(c3)cccc4NC[C@@]5(CCCN(C5)c6cc(ncn6)NCc7ccccc7)O	0AE	(3~{r})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{s})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol
+c1cc2c(c[nH]c2c(c1)O)C[C@@H](C(=O)O)N	0AF	7-hydroxy-l-tryptophan
+CCOC(=O)N[C@@H](CC(C)C)C(=O)O	0AG	n-(ethoxycarbonyl)-l-leucine
+C([C@@H](C(=O)O)N)OC(=O)CBr	0AH	o-(bromoacetyl)-l-serine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)C(=O)O)O)O	0AI	methyl 2-(acetylamino)-2-deoxy-alpha-d-galactopyranosiduronic acid
+CCS[C@H](C)SC	0AJ	(1r)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane
+C(CCl)OC(=O)C[C@@H](C(=O)O)N	0AK	(2s)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O	0AL	4-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+CCCSSCCCNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	0AM	2'-deoxy-n-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)cccc2C[C@@H](C=O)N	0AO	(2s)-2-amino-3-naphthalen-1-ylpropanal
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)OP(=O)(O)O	0AP	2'-deoxycytidine 3',5'-bis(dihydrogen phosphate)
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)C	0AR	n-[n-[(4s)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	0AS	asiatic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O	0AT	2-(acetylamino)-2-deoxy-6-o-phosphono-alpha-d-glucopyranose
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)I	0AU	5-iodouridine 5'-(dihydrogen phosphate)
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	0AV	2'-o-methyladenosine 5'-(dihydrogen phosphate)
+B([C@H](CCCCN)N)(OCC)OCC	0AY	diethyl [(1r)-1,5-diaminopentyl]boronate
+C1[C@H](CN[C@H]1C(=O)O)O	0AZ	(4r)-4-hydroxy-d-proline
+CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(c3)c4cccc(c4)OC	0B1	2-amino-6-[(1s,2r)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3h)-one
+C[C@H](CO)C(=O)[C@H](CC1CCCCC1)N	0B2	(2s,4r)-2-amino-1-cyclohexyl-5-hydroxy-4-methylpentan-3-one
+C[C@]1(CC(=O)N(C(=N1)N)C)CCc2ccccc2	0B3	(6r)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3h)-one
+C[C@]1(CC(=O)N(C(=N1)N)C)[C@@H]2C[C@H]2c3ccccc3	0B4	(6s)-2-amino-3,6-dimethyl-6-[(1r,2r)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3h)-one
+C[C@]1([C@H]([C@H](OC(=N1)N)C(C)(F)F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF	0B5	~{n}-[3-[(4~{r},5~{r},6~{s})-2-azanyl-6-[1,1-bis(fluoranyl)ethyl]-5-fluoranyl-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+C[C@]1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	0B6	~{n}-[3-[(4~{s})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NC[C@@]4(CCCN(C4)c5c6cc[nH]c6ncn5)O	0BA	2-oxidanyl-n-[[(3r)-3-oxidanyl-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3s)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
+Cc1cccc2c1c(cs2)CN3c4ccccc4N(C3=O)CCCC(=O)O	0BB	4-{3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}butanoic acid
+CCOc1ccc(cc1NC(=O)c2cc(cc(c2)c3n[nH]nn3)c4cscn4)C(=O)C	0BC	~{n}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{h}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide
+CC(C)CC(CC(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)CO)O)O)O)O)O	0BD	3-methyl-1-(2-methylpropyl)butyl 4-o-beta-l-gulopyranosyl-beta-d-glucopyranoside
+[Be+2]	0BE	beryllium
+c1ccc2c(c1)cccc2c3ccc(o3)CN4C(=O)CSC45CCN(CC5)C(=O)CCl	0BF	8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
+CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(c(c3)O)C(=O)NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6cccc7c6ccs7)O	0BH	n-[[(3r)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3s)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
+CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O	0BI	(4s)-4-[(1r)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+Cc1cc(c(c(c1)O)C(=O)c2c(cccc2O)O)C(=O)OC	0BJ	methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate
+C[C@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc(ncn3)OC)S(=O)(=O)C	0BK	n-{3-[(2s,5r)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide
+[H]/N=C(\N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)C	0BM	n-(methylsulfonyl)-d-phenylalanyl-n-[(1-carbamimidoylpiperidin-4-yl)methyl]-l-prolinamide
+[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)N)/N	0BN	4-carbamimidoyl-l-phenylalanine
+c1ccnc(c1)c2ccccn2	0BP	2,2'-bipyridine
+c1ccc2c(c1)[nH]c(n2)C3=NNC(=O)N3	0BQ	5-(1h-benzimidazol-2-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+CC[C@H]1C[N@]2CC[C@@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)O	0BR	(4beta,8alpha,9r)-6'-methoxy-10,11-dihydrocinchonan-9-ol
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)I)P(=O)(O)O	0BT	1-{2-deoxy-3,5-o-[(4-iodophenyl)(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	0BU	8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic  acid
+c1ccc2c(c1)cc(c3c2cccc3)CC=O	0BV	phenanthren-9-ylacetaldehyde
+CN1CCN(CC1)c2ccc(cc2NC(=O)c3cccc(c3)OC)C(=O)OC	0BW	methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
+c1ccc(cc1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0BX	4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Cl	0BY	4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)F	0BZ	4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
+C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O	0C	l-cytidine-5'-monophosphate
+c1ccc(cc1)c2ccccc2Nc3ccnc(n3)Nc4ccc(cc4)C(=O)O	0C0	4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid
+CS(=O)(=O)NC(=O)c1c(c2c(n1Cc3cc(ccc3F)F)ccc4c2OCC4)C5=CC=CNC5=O	0C1	6-(2,5-difluorobenzyl)-n-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-e]indole-7-carboxamide
+C[C@@H]1COc2c1ccc3c2c(c(n3Cc4cc(ccc4F)F)C(=O)NS(=O)(=O)C)C5=CC=CNC5=O	0C2	(3s)-6-(2,5-difluorobenzyl)-3-methyl-n-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-e]indole-7-carboxamide
+c1ccc(c(c1)C(F)(F)F)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0C3	4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Br	0C4	4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
+c1ccc(c(c1)C#N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0C5	4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
+c1ccc(c(c1)Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)O)F)Cl	0C6	4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)c4[nH]nnn4)Cl	0C7	n~4~-(2-chlorophenyl)-n~2~-[4-(1h-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
+c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)OC(F)(F)F	0C8	4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid
+c1ccc(c(c1)C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	0C9	2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
+[H]/N=C(\c1ccc2ccc(cc2c1)Cn3c4cc(cc(c4cc3C(C)C)C(=O)O)OC5CCN(CC5)C(=N)C)/N	0CA	1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1h-indole-4-carboxylic acid
+[H]/N=C(\C)/N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4ccc(cc4c3)/C(=N\[H])/N)S(=O)(=O)CC(=O)O	0CB	{[(7-carbamimidoylnaphthalen-2-yl)methyl][4-({1-[(1e)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]sulfamoyl}acetic acid
+C[C@@]12C[C@H]3[C@]4(C=CC(=O)C([C@@H]4CC[C@@]35[C@@]16COC(=O)C6=C[C@](C5)(C2=O)C)(C)C)C	0CC	andiconin d
+CC(C)n1c2ccc(cc2c3c1c4c(c5c3C=NC5=O)-c6cn(nc6CC4)C)[C@@H]7CCCCO7	0CE	2-methyl-11-(1-methylethyl)-8-[(2s)-tetrahydro-2h-pyran-2-yl]-2,11,12,13-tetrahydro-4h-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one
+C#CCOP(=O)(O)OP(=O)(O)O	0CG	prop-2-yn-1-yl trihydrogen diphosphate
+C(CCOP(=O)(O)OP(=O)(O)O)CO	0CH	4-hydroxybutyl trihydrogen diphosphate
+CCC(=O)N1CC[C@@H](C1)Oc2c3ccccc3cc(n2)C4=NNC(=O)N4	0CI	5-(1-{[(3s)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+CC(=O)CCCOP(=O)(O)OP(=O)(O)O	0CJ	4-oxopentyl trihydrogen diphosphate
+c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F	0CK	4-[1-cyclohexyl-4-(4-fluorophenyl)-1h-imidazol-5-yl]pyrimidin-2-amine
+C(CCl)CCl	0CL	1,3-dichloropropane
+CC#CCOP(=O)(O)OP(=O)(O)O	0CM	but-2-yn-1-yl trihydrogen diphosphate
+C=C=CCOP(=O)(O)OP(=O)(O)O	0CN	buta-2,3-dien-1-yl trihydrogen diphosphate
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@H](CO4)CC(C)(C)O)C	0CO	(1s,3r,5z,7e,14beta,17alpha,23r)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
+COc1ccc(cc1O[C@H]2C[C@@H]3CC[C@H]2C3)C4CNC(=O)NC4	0CP	5-{3-[(1s,2s,4r)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1h)-one
+COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O	0CR	momo-2-[4-(2-(4-(methoxy)-1h-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1h-1,2,3-triazol-1-y l)propanoic acid]-cryptophane-a
+C([C@@H](C(=O)O)N)[S@@](=O)OO	0CS	3-[(s)-hydroperoxysulfinyl]-l-alanine
+c1ccc2c(c1)[nH]nn2	0CT	1h-benzotriazole
+c1c(cc(c2c1nn[nH]2)Cl)Cl	0CU	5,7-dichloro-1h-benzotriazole
+Cc1cc(cc2c1nc3c(c2N4CCNCC4)c(n[nH]3)C)OC	0CV	6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1h-pyrazolo[3,4-b]quinoline
+CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O)C)O	0CX	(2r,3as,5ar,5bs,9s,13s,14r,16as,16br)-9-ethyl-2,13-dihydroxy-14-methyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-1h-as-indaceno[3,2-d]oxacyclododecine-7,15-dione
+c1cc(ccc1C(c2ccc(cc2)O)(C(F)(F)F)C(F)(F)F)O	0CZ	4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol
+c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)O)O	0D1	4,4'-(2,2-dichloroethene-1,1-diyl)diphenol
+c1ccc(cc1)[C@@]2(C(=O)NC(=O)N2)[C@@]3(C(=O)NC(=O)N3)c4ccccc4	0D2	(4r,4's)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone
+	0D3	n-[(2s)-2-benzyl-3-sulfanylpropanoyl]-l-alanylglycinamide
+CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCNCC3	0D6	n-{(1r)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-n~2~-(piperazin-1-ylcarbonyl)-l-leucinamide
+C(CN)CO	0D8	3-aminopropan-1-ol
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N	0DA	2'-deoxy-l-ribo-furanosyl adenosine-5'-monophosphate
+	0DB	n-({1-[(2s)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-l-tryptophan
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	0DC	2'-deoxy-l-ribo-furanosyl cytosine-5'-monophosphate
+CN1c2cc(cnc2NC1=O)c3ccccc3	0DF	1-methyl-6-phenyl-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one
+c1nc2c(n1[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	0DG	2'-deoxy-l-ribo-furanosyl guanine-5'-monophosphate
+c1cc(cc(c1)Cl)C[C@H](C(=O)N2CCN(CC2)C(=O)c3cc(ccc3F)F)N	0DI	(2r)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one
+CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N	0DJ	3-(1-methyl-2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)benzamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O	0DN	5'-deoxy-5'-fluorothymidine
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@@]3CC[C@H](C[C@H]3C(=O)NC(C)(C)C)S(=O)(=O)c4ccncc4)O)C	0DO	(2r,4s)-n-tert-butyl-1-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxamide
+c1ccc(cc1)c2c(snn2)N	0DQ	4-phenyl-1,2,3-thiadiazol-5-amine
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N	0DS	n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-l-leucyl-l-phenylalaninamide
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O	0DT	2'-deoxy-l-ribo-furanosyl thymidine-5'-monophosphate 
+CC1=CC(=C(C(=O)N1C)c2ccc(cc2)C[C@@H](C(=O)O)NC(=O)c3c(cccc3Cl)Cl)C(F)(F)F	0DU	n-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-l-phenylalanine
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)C(C)C)C)CO	0DV	(4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrod icyclopenta[a,d][8]annulen-4-yl alpha-d-gulopyranoside
+CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCOCC6)NCCCN7CCN(CC7)C)CCCN8CCOCC8	0DX	4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
+	0DY	n~1~-(3-aminobenzyl)-n~2~-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-aspartamide
+CC(C)(CO)[C@H]1CC2=C(CO1)c3ccccc3C(=O)N2	0E0	(3r)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6h-pyrano[4,3-c]isoquinolin-6-one
+CC(C)[C@H]1Cc2c(cc(c(n2)O)C#N)CO1	0E1	(7r)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5h-pyrano[4,3-b]pyridine-3-carbonitrile
+CC[C@](C)([C@@H](C(=O)O)N)O	0E5	(2s,3r)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid
+c1ccc(cc1)COC[C@@H](C(=O)CCl)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)OCc2ccccc2	0E6	amino{[(4s)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2s)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium
+[H]/N=C(\N)/NCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC	0E7	methyl n-(4-carbamimidamidobutanoyl)-l-phenylalanyl-l-allothreonyl-l-phenylalaninate
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O	0E8	di-tert-butyl {iminobis[(2s,3s)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate
+	0E9	benzyl [(1r,4s,6s,9r)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate
+CN[C@@H]([C@@H](c1ccc(c(c1)O)O)O)C(=O)O	0EA	(betar)-beta,3-dihydroxy-n-methyl-l-tyrosine
+COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3	0EC	6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine
+	0ED	n-[(1s)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-l-leucyl-n-(2-morpholin-4-ylethyl)-l-phenylalaninamide
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)NC(=O)O)NC(=O)OC(C)(C)C	0EF	n-(tert-butoxycarbonyl)-l-alanyl-n-[(1r)-1-(carboxyamino)-2-phenylethyl]-l-prolinamide
+	0EG	n-(tert-butoxycarbonyl)-l-alanyl-n-[(1r)-1-(dihydroxyboranyl)-2-methylpropyl]-l-prolinamide
+CCCCCCC[C@](C)(C(=O)O)N	0EH	(2r)-2-amino-2-methylnonanoic acid
+Cn1c(c(nc1SC)c2ccc(cc2)F)c3ccnc(c3)Nc4ccc/5c(c4)CCc6cc(ccc6/N=N5)NC(=O)CCCN(C)C	0EI	4-(dimethylamino)-n-[(5z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide
+C(C(=O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O	0EJ	(2-oxo-2-{[(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid
+	0EK	6-ammonio-n-{[(2r,3r)-3-{[n-(tert-butoxycarbonyl)-l-phenylalanyl-3-(1h-imidazol-3-ium-4-yl)-l-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-l-norleucyl-l-phenylalanine
+	0EL	6-ammonio-n-[(2r,4r,5r)-5-{[n-(tert-butoxycarbonyl)-l-phenylalanyl-3-(1h-imidazol-3-ium-4-yl)-l-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-l-norleucylphenylalanine
+	0EM	n-(tert-butoxycarbonyl)-l-phenylalanyl-n-{(1s)-1-[(r)-hydroxy(2-{[(2s)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1h-imidazol-3-ium-4-yl)-l-alaninamide
+CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3ccco3	0EN	n-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-n-(4-tert-butylphenyl)furan-2-carboxamide
+CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H]([C@H](CC1CCCCC1)NC(=O)CC[C@@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O	0EO	(2s)-2-[[(3s,4s)-5-cyclohexyl-4-[[(4s,5s)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino] -3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid
+Cc1cc(c(c(c1O)C(=O)OC)C(=O)c2c(cccc2O)O)O	0ER	methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate
+CCCCCCCCC[C@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	0ET	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-[(2r)-2-oxidanylundecyl]sulfanylethylamino]propyl]amino]butyl] hydrogen phosphate
+CCNC(=O)Nc1c(c2ccccc2s1)C(=O)N3CCC(CC3)[N@]4CCC[C@@]5(C4)CC(OC5=O)(C)C	0EU	1-[3-({4-[(5s)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea
+c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O	0EV	4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CCS(=O)(=O)[C@@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OC(O4)(F)F)C	0EW	n-{3-[(2s,5r)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2h-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
+c1ccc(cc1)CCNc2[nH]c3cc4c(c(c3n2)CCNCc5ccccc5)N=C(NC4=O)N	0EX	6-amino-4-[2-(benzylamino)ethyl]-2-[(2-phenylethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=CC(=O)NC3=O	0EY	1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	0EZ	tert-butyl [(1s,2s)-1-benzyl-2-hydroxy-3-{[(8s,11r)-8-[(1r)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]carbamate
+CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3nccc(n3)c4cccnc4	0F0	3-{[4-(dimethylamino)butanoyl]amino}-n-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
+c1cc2c(cc1Cl)sc(c2Cl)C(=O)O	0F1	3,6-dichloro-1-benzothiophene-2-carboxylic acid
+CCC(CC)(c1cc2c(cc([nH]2)c3c4c(ccs4)[nH]n3)c(c1)OCCN5CCOCC5)O	0F2	3-[4-(2-morpholin-4-ylethoxy)-2-(1~{h}-thieno[3,2-c]pyrazol-3-yl)-1~{h}-indol-6-yl]pentan-3-ol
+c1cc(ccc1NS(=O)(=O)N)S(=O)(=O)N	0F3	4-(sulfamoylamino)benzenesulfonamide
+c1cc(cc(c1)NC(=O)Nc2cccc(c2)Nc3ccc\4c(c3)NC(=O)/C4=C\c5ccc[nH]5)C(F)(F)F	0F4	1-(3-{[(3z)-2-oxo-3-(1h-pyrrol-2-ylmethylidene)-2,3-dihydro-1h-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea
+c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)/C=C\4/C(=O)NC(=O)S4	0F5	(5~{z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
+	0F7	n-[(benzyloxy)carbonyl]-l-isoleucyl-n-[(1r)-1-(carboxycarbonyl)-3,3-difluoropropyl]-l-leucinamide
+c1cc(c(cc1Cl)c2cc[nH]n2)O	0F9	4-chloro-2-(1h-pyrazol-3-yl)phenol
+CC(C)C[C@@H](C(=O)N)NP(=O)(O)O	0FA	n~2~-phosphono-l-leucinamide
+CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc2ccc(cc2)F)N	0FG	d-leucyl-n-(4-fluorobenzyl)-l-phenylalaninamide
+c1ccc(cc1)NC=S	0FI	n-phenylthioformamide
+c1cc2ccc(nc2c(c1)O)C(=O)N	0FK	8-hydroxyquinoline-2-carboxamide
+C([C@@H](C(=O)O)NC=O)N	0FL	3-amino-n-formyl-l-alanine
+c1ccc2c(c1)C(=O)C(C2=O)C#N	0FN	1,3-dioxo-2,3-dihydro-1h-indene-2-carbonitrile
+c1cc2c(cc1Br)C(=CC(=O)O2)O	0FO	6-bromo-4-hydroxy-2h-chromen-2-one
+CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)CCCCCN)O	0FP	n-(6-aminohexanoyl)-3-methyl-l-valyl-3-methyl-l-valyl-n~1~-[(2s,3s)-3-hydroxy-4-oxo-4-{[(1r)-1-phenylpropyl]amino}butan-2-yl]-n~4~,n~4~-dimethyl-l-aspartamide
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O	0FQ	phenacyl coenzyme a
+c1ccc2c(c1)c(c[nH]2)C(=O)c3ccco3	0FR	furan-2-yl(1h-indol-3-yl)methanone
+c1cc(cc(c1)C(F)(F)F)/C=C\2/C(=O)NC(=O)S2	0FS	(5z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione
+CC1=CN(C(=O)NC1=O)Cc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O	0FT	1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
+c1(c(nc(nc1O)N)N)N	0FU	2,5,6-triaminopyrimidin-4-ol
+CC(=CCC/C(=C(/COP(=O)(O)OP(=O)(O)O)\F)/C)C	0FV	(2z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
+c1ccc(cc1)c2ccc(cc2)C(=O)Nc3cccc(c3)Oc4ccc(c(c4)C(=O)O)C(=O)O	0FW	4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N	0FX	dtdp-4-amino-4,6-dideoxyglucose
+Cc1cn2c(c[nH+]c2c(n1)Nc3cc(ns3)C[NH+]4CCC[C@H](C4)C)c5cnn(c5)CC(=O)Nc6cc[nH+]cc6F	0FY	3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1h-pyrazol-4-yl)-6-methyl-8-[(3-{[(1r,3r)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium
+COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N	0FZ	4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
+c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	0G	l-guanosine-5'-monophosphate
+c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=C(C(=O)NC3=O)F	0G0	1-{[1-(alpha-l-arabinofuranosyl)-1h-1,2,3-triazol-4-yl]methyl}-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
+CCC(CC)(c1ccc2c(c1)[nH]c(c2c3ccc(cc3)OC)c4c5c(ccs5)[nH]n4)O	0G1	3-[3-(4-methoxyphenyl)-2-(1h-thieno[3,2-c]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol
+CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)c5ccccc5)n[nH]3)O	0G2	3-[2-(5-phenyl-2h-thieno[3,2-c]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol
+CCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3cc(ccn3)c4c(nc(n4C)SC)c5ccc(cc5)F	0G3	n-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=C(C(=NC2=O)N)F	0G4	[[[[(2r,5s)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy -oxidanyl-phosphoryl]amino]phosphonic acid
+c1cc(cc(c1)I)C(=O)NCCC[C@@H](C(=O)O)N	0G5	n~5~-(3-iodobenzoyl)-l-ornithine
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N	0G6	d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-prolinamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N	0G7	d-phenylalanyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-l-prolinamide
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	0G8	[(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate
+C/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O	0GA	3-{[(1z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid
+Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F	0GD	6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine
+[H]/N=C(\\N)/NCCCC(C(CCl)O)NC(=O)CNC(=O)C(CCC(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C	0GE	n-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-l-alpha-glutamyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide
+Cc1cc(ccc1Br)C(=O)O	0GF	4-bromo-3-methylbenzoic acid
+COc1cc(ccc1O)CC(=O)NC[C@H](C(=O)O)N	0GG	3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-d-alanine
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)CN[C@@H]([C@@H](C)O)C(=O)NCC(C)C	0GH	n-[(2s)-1-({(2s,3r)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+C(C[C@@H]([C@@H](CCl)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N)CNC(=[NH2+])N	0GJ	l-alpha-glutamyl-n-{(1s)-4-{[amino(iminio)methyl]amino}-1-[(1s)-2-chloro-1-hydroxyethyl]butyl}glycinamide
+CC(C)C[C@H]1[C@H](CC(=O)N[C@H](C(=O)NCc2cccc(c2)CNC(=O)CC[C@@H](C(=O)N1)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)CC(C)C)O	0GM	n-[(5s,9s,10s,13s)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide
+CCCN1CCC[C@@]12CCN(C2=O)[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O	0GO	(2s)-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5s)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide
+CC[C@H](C)[C@@H](C(=O)NCc1cnc(nc1N)C)NC(=O)C[C@@H]([C@H](CC2CCCCC2)NC(=O)CCNC(=O)[C@H](Cc3ccccc3)NC(=O)N4CCC(CC4)N)O	0GQ	4-amino-n-{(1r,8r,9r,13r)-16-(4-amino-2-methylpyrimidin-5-yl)-1-benzyl-8-(cyclohexylmethyl)-9-hydroxy-13-[(1s)-1-methylpropyl]-2,6,11,14-tetraoxo-3,7,12,15-tetraazahexadec-1-yl}piperidine-1-carboxamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)c3ccco3	0GR	n-(furan-2-ylcarbonyl)-l-leucyl-l-tryptophan
+CC(c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)Br)N)F)(F)F	0GS	(3s,4s,5r)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F	0GT	(3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1h-indol-5-yl]methyl}tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc4c(c(c3)F)NCC45CCC(CC5)(F)F	0GU	(3r,4s,5s)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C	0GV	(3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one
+CCOc1c2ccccc2cc(n1)C3=NNC(=O)N3	0GW	5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+CCCOc1c(c(c(s1)C(=O)N2[C@@H]3CC[C@H]2CC(C3)c4cc(ccc4F)CN)C)Br	0GX	{(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone
+C(=C(\C=C(\C(=O)O)/O)/C(=O)O)\C(=O)O	0GY	(1e,3z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid
+C1=C(C=C(OC1=O)C(=O)O)C(=O)O	0GZ	2-oxo-2h-pyran-4,6-dicarboxylic acid
+CCCCO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O	0H0	carbohydrate component from a pentavalent n-acetylneuraminic acid conjugate
+c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)N=C=S)C=CC=C4)C(=O)NC2=O	0H2	[1,3-dioxo-6-(pyridin-2-yl-kappan)-2,3-dihydro-1h-isoindol-5-yl-kappac~5~][(thioxomethylidene)azanido-kappan](1,4,7-trithionane-kappa~3~s~1~,s~4~,s~7~)ruthenium
+CCCOCCN1c2cc(ncc2C(=NC1=O)NCCOC(C)C)c3ccc(nc3)OC	0H3	7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1h)-one
+Cc1ccc(nc1)NC(=O)[C@H](CC2CCCC2)N3C=CC(=CC3=O)C(F)(F)F	0H4	(2s)-3-cyclopentyl-n-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2h)-yl]propanamide
+Cn1ccc(n1)Nc2c3cc(ccc3ncn2)OC	0H5	6-methoxy-n-(1-methyl-1h-pyrazol-3-yl)quinazolin-4-amine
+c1cc(ncc1C(=O)O)NC(=O)[C@H](CC2CCCC2)n3cc(nc3)C(F)(F)F	0H6	6-({(2s)-3-cyclopentyl-2-[4-(trifluoromethyl)-1h-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid
+c1cc(sc1C(c2ccc(s2)Cl)([C@H]3CN4CCC3CC4)O)Cl	0H7	(3r)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol
+CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)P(=O)(O)O)NC(=O)CCC(=O)O	0H8	n-(3-carboxypropanoyl)-l-valyl-n-[(1r)-5-amino-1-phosphonopentyl]-l-prolinamide
+COc1ccc(cc1)CNCCS(=O)(=O)O	0H9	2-[(4-methoxybenzyl)amino]ethanesulfonic acid
+c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3	0HD	1-(1h-indazol-5-yl)-3-(2-phenylethyl)urea
+c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])Br	0HG	n-[(4s)-4-ammonio-4-carboxybutanoyl]-s-(4-bromobenzyl)-l-cysteinylglycine
+CCCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	0HH	l-gamma-glutamyl-s-nonyl-l-cysteinylglycine
+CCCCCCCCCCCCCCCCCCCCC[C@@H]([C@H](CCCCCCCCCCCCCCCCC[C@@H]1C[C@H]1CCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	0HJ	6-o-[(2s)-2-{(1s)-18-[(1r,2r)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-d-glucopyranosyl alpha-d-glucopyranoside
+C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(c4cccs4)(c5cccs5)O)C	0HK	(1r,2r,4s,5s,7s)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane
+[H]/N=C(\c1cc(cs1)CN2CC[C@H](C2=O)N(Cc3ccsc3)S(=O)(=O)c4ccc5ccc(cc5c4)OC)/N	0HL	4-{[(3r)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide
+c1ccc(cc1)Cn2ccnc2C[n+]3cccc(c3C(=O)Nc4ccc(cc4)CN)O	0HM	2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1h-imidazol-2-yl)methyl]-3-hydroxypyridinium
+c1cc2c(cc1C(=O)O)OCO2	0HN	1,3-benzodioxole-5-carboxylic acid
+c1cc2c(cc1C(=O)O)nsn2	0HO	2,1,3-benzothiadiazole-5-carboxylic acid
+C=[N+]=[N-]	0HQ	diazomethane
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C(C)C)NC[C@@H]([C@H](CC(C)C)N)O	0HT	methyl n-[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-valyl-l-isoleucyl-l-phenylalaninate
+c1ccc2c(c1)c(ccc2[N+](=O)[O-])Nc3cccc(c3)C(=O)O	0HV	3-[(4-nitronaphthalen-1-yl)amino]benzoic acid
+CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H]2[C@@H](O2)C(=O)OCC	0HW	n-[(3s)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-isoleucyl-l-proline
+CCC(CC)O[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C	0HX	pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid
+C[C@H](CC(=O)OC)C1=NNC2=C(C1=O)C(=O)NC(=N2)N	0HY	methyl (3r)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoate
+	0HZ	amino({3-[(3s,8as)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium
+C[C@]12C[C@@H]3C(=O)OC[C@]34[C@](C1=O)(C[C@@H]5[C@@]4(C2)CC[C@@H]6[C@@]5(C=CC(=O)OC6(C)C)C)C	0I3	andilesin c
+CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)C(=O)CF)NC(=O)N2CCOCC2	0I5	n-[(3s)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-n~2~-(morpholin-4-ylcarbonyl)-l-leucinamide
+c1ccc(cc1)n2c(c(cn2)C(=O)O)C(F)(F)F	0IM	1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
+c1cc2ccc(c(c2nc1)O)Cc3cccnc3	0IN	7-(pyridin-3-ylmethyl)quinolin-8-ol
+C[C@H]1C(=O)[C@]2([C@H](C(=O)O1)[C@]3(C(=O)C(=C4[C@]([C@@]3(CC2=C)O)(CCC(=O)C4(C)C)C)O)C)C	0IP	terretonin c
+c1ccc(cc1)CS(=O)(=O)N[C@H]2CCCN(C2=O)CC(=O)N[C@@H](CCCNC(=[NH2+])N)C=O	0IT	amino({(4s)-4-[({(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}acetyl)amino]-5-oxopentyl}amino)methaniminium
+	0IU	(2s)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n~1~-[(1s,2r,3r)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-n~4~-[2-(d imethylamino)-2-oxoethyl]-n~4~-[(1s)-1-phenylethyl]butanediamide
+[H]/N=C(\N)/N1CCC[C@@H](C1)C[C@@H](C=O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)Cc3ccccc3	0IV	2-{(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-n-{(2s)-1-[(3r)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide
+CN1CCN(CC1)C(=O)NC(Cc2ccccc2)C(=O)NC(CCc3ccccc3)CCS(=O)(=O)c4ccccc4	0IW	nalpha-[(4-methylpiperazin-1-yl)carbonyl]-n-[(3s)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-l-phenylalaninamide
+[B-](CCC[C@@H]1[C@H](CN[C@@H]1C(=O)O)NC(=O)[C@H](C(C)C)N)(O)(O)O	0IZ	3-[(2~{s},3~{r},4~{r})-4-[[(2~{s})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
+CN1c2ccccc2C(=CC1=O)OCc3cn(nn3)C4C[C@H]5CC[C@@H](C4)[N+]5(C)C	0J0	(3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1h-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane
+CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCC	0J1	(2r)-3-{[(r)-hydroxy{[(1s,2r,3s,4s,5r,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoate
+C[C@H](CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N	0J2	(3r)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid
+CN1CCN(CC1)c2cc3c(cc(cc3NCc4cccc(c4)[N+](=O)[O-])C(F)(F)F)nc2	0J3	3-(4-methylpiperazin-1-yl)-n-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine
+C[C@H](C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O	0J4	(2r)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
+C(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O	0J5	(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid
+c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4	0J6	n-[3-(1h-tetrazol-5-yl)phenyl]-2h-indazole-5-carboxamide
+c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4	0J7	3-(pyrimidin-2-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide
+c1cc(cc(c1)[N+](=O)[O-])CNc2c3cc(cnc3nc(n2)C(F)(F)F)c4cnn(c4)C5CCNCC5	0J8	n-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
+CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N	0J9	1-tert-butyl-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc(c(c(c1)C2(CC2)C#N)Cl)C(=O)Nc3cc(ccc3F)Oc4ccc5c(n4)sc(n5)NC(=O)C6CC6	0JA	2-chloro-3-(1-cyanocyclopropyl)-n-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide
+c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4	0JB	n-[3-(1h-tetrazol-5-yl)phenyl]-1h-benzimidazole-7-carboxamide
+C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3	0JC	di-mu-iodobis(ethylenediamine)diplatinum(ii)
+c1ccc2c(c1)OC[C@H](O2)C(=O)O	0JD	(2s)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
+CCN(CC)C(=O)Nc1cn[nH]c1c2[nH]c3cc(c(cc3n2)OCC)F	0JE	3-[5-(5-ethoxy-6-fluoro-1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]-1,1-diethylurea
+Cc1ccc(cc1)CNC(=O)[C@H]2CCCN(C2)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC	0JF	(3s)-n-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide
+Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)/C=C/CO)C[C@@H](C#N)C(=O)OC	0JG	methyl (2s)-3-{4-amino-7-[(1e)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate
+Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)CCCO)C[C@@H](C#N)C(=O)OC(C)(C)C	0JH	tert-butyl (2s)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate
+Cc1c(nnn1c2ccccc2)C(=O)O	0JI	5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid
+Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC	0JJ	7-methoxy-n-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine
+c1ccc(cc1)N2CCc3c(n(nn3)Cc4ccc5c(c4)cccn5)C2=O	0JK	5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4h-[1,2,3]triazolo[4,5-c]pyridin-4-one
+Cc1cc(sn1)N2C=Cc3c(n(nn3)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)C2=O	0JL	3-{(1s)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4h-[1,2,3]triazolo[4,5-c]pyridin-4-one
+CC1([C@@H](N2[C@@H]([C@H]([C@H]2S1)NC(=O)[C@@H](c3ccccc3)C(=O)O)O)C(=O)O)C	0JM	(2s,5r,6r,7r)-6-{[(2r)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo xylic acid
+CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N	0JN	1-tert-butyl-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O	0JO	2-{[(e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid
+COc1cc2c(cc1OC)-c3c(ncn3CC2)c4cncs4	0JP	8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline
+Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC	0JQ	2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCc1cccnc1)O	0JR	(2r)-2,4-dihydroxy-3,3-dimethyl-n-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide
+CC(C)[C@@H](CCC(=O)O)N	0JT	(4r)-4-amino-5-methylhexanoic acid
+[H]/N=C\[C@H](CCC(=O)N)N	0JU	(4s,5z)-4-amino-5-iminopentanamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@H]3NC(=O)OC)O)S(=O)(=O)c4ccc(cc4)OC	0JV	methyl n-[(3s,3ar,5r,6ar)-5-[[(2s,3r)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyloxy]-3,3a,4,5,6,6a-hexahydro-2h-cyclopenta[b]furan-3-yl]carbamate
+c1cc(c(cc1/C=C(\C#N)/[C@H](N)O)O)O	0JW	(2e)-2-[(r)-amino(hydroxy)methyl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
+C(COP(=O)(O)OP(=O)(O)O)/C=C/O	0JX	(3e)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate
+CC(C)(C)C[C@@H](C(=O)O)N	0JY	4-methyl-l-leucine
+CC(C)[C@@H]1c2nc(c[se]2)C(=O)N[C@@H](c3nc(c[se]3)C(=O)N[C@@H](c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C	0JZ	(4r,11r,18r)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
+CS(=O)(=O)Nc1cccc(c1)c2cnc(c(n2)C(=O)NCC3CCNCC3)N	0K0	3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-n-(piperidin-4-ylmethyl)pyrazine-2-carboxamide
+Cn1cc(cn1)c2cccc(c2)c3cnc(c(n3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O)N	0K1	3-amino-6-[3-(1-methyl-1h-pyrazol-4-yl)phenyl]-n-[(1r,2r,3s,5s,7s)-5-hydroxyadamantan-2-yl]pyrazine-2-carboxamide
+C(CC=O)COP(=O)(O)OP(=O)(O)O	0K2	4-oxobutyl trihydrogen diphosphate
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C	0K3	(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N(C2=O)O)Oc4ccccc4)O	0K5	(5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cn1cc(cc1C(=O)N2CCN(CC2)C)Nc3ncc4cc(n(c4n3)C5CCCC5)C(=O)N	0K6	7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-3-yl}amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide
+Cc1ccc(cc1)c2nc(cs2)C(=O)O	0K7	2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
+c1ccc2c(c1)C(=O)c3ccc4c(c3C2=O)nc5c6c7c8c(c5n4)C=CC=[N]8[Ru+2]91([N]7=CC=C6)([N]2=CC=Cc3c2c2c(cc3)C=CC=[N]92)[N]2=CC=Cc3c2c2c(cc3)C=CC=[N]12	0K8	ruthenium bis-(phenanthroline) 12,17-dihydro-naphthodipyridophenazine-12,17-dione
+C[C@H](C(=O)N[C@@H](Cc1cccc(c1)c2nccs2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC	0K9	(2r)-n-{(2s,3r)-4-{[(4's)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide
+[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ag]45	0KA	silver/iron/sulfur cluster
+c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(F)(F)F)P(=O)(O)O	0KB	[2-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid
+c1ccc(c(c1)OCC(=O)NC2CCCC2)P(=O)(O)O	0KC	{2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acid
+c1cc(cnc1)NC(=O)c2ccnc3c2nc([nH]3)c4ccsc4	0KD	n-(pyridin-3-yl)-2-(thiophen-3-yl)-3h-imidazo[4,5-b]pyridine-7-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3ccc(cc3N(C2=O)O)OC)O	0KE	(5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5	0KF	n-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1h-pyrazole-5-carboxamide
+c1ccc(c(c1)OCC(=O)NC2CCCCC2)P(=O)(O)O	0KG	{2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid
+c1ccc(c(c1)OCC(=O)Nc2cccc(c2Cl)Cl)P(=O)(O)O	0KH	(2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@@H]2CCC(=O)N2)O)S(=O)(=O)c3ccc4c(c3)scn4	0KJ	[(2s)-5-oxopyrrolidin-2-yl]methyl [(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+[H]/N=C/1\NC(C(=O)N1C)(c2ccccc2)c3ccccc3	0KK	(2e)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0KL	5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)
+[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccc(c4)OC	0KM	(2e,5r)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one
+C[C@H](C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC	0KN	(2r)-n-[(2s,3r)-1-(1,3-benzodioxol-5-yl)-4-{[(4's)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide
+Cc1nc(nc(n1)N)c2cc(cnc2Nc3ccc(nc3)OC)CN4CCN(CC4)S(=O)(=O)C	0KO	4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
+[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccnc4	0KP	(2e,5r)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one
+[H]/N=C/1\N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)Cl)C4CC4	0KQ	(2e,5r)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one
+[H]/N=C/1\N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)C#CC)C4CC4	0KR	(2e,5r)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one
+CN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c2ccccc2	0KS	n-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-n-methylbenzenesulfonamide
+CN(c1ccc(cc1)[C@](c2cccn2CCOC)(C(F)(F)F)O)S(=O)(=O)c3ccccc3	0KT	n-methyl-n-(4-{(1s)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1h-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide
+Cc1c(sc(n1)[C@H]([C@@H]2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CO	0KU	n-(4-chlorophenyl)-n'-{(s)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2s)-piperidin-2-yl]methyl}ethanediamide
+[H]/N=C(\N)/N1CCC[C@H](C1)C[C@@H](C=O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)Cc3ccccc3	0KV	2-{(3s)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-n-{(2s)-1-[(3s)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide
+Cc1c(sc(n1)[C@H]([C@@H]2CCCCN2)NC(=O)C(=O)Nc3ccc(cc3)Cl)CCO	0KW	n-(4-chlorophenyl)-n'-{(s)-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl][(2s)-piperidin-2-yl]methyl}ethanediamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O	0KX	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine
+CCO[C@H](C)CN1c2c(nc[nH]2)C(=O)NC1=S	0KY	3-[(2r)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6h-purin-6-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](C3([C@@H]2C3)COP(=O)(O)O)O	0KZ	[(1r,2s,4s,5s)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(c(cc3N(C2=O)O)OC)Cc4ccccc4)O	0L0	(4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+C(CCC(=O)O)CC(=O)O	0L1	hexanedioic acid
+c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCNC(=O)CCCCCCCCCO	0L3	7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCCCN	0L4	5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0L5	2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate)
+C1[C@@H]([C@H](O[C@H]1N2CC(=C(NC2=O)N)C#CCCCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0L6	5-(5-aminopent-1-yn-1-yl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)
+c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N)C#CCCCN	0L7	2-amino-5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+c1cc(ccc1c2c(cc(cc2Br)CO)c3ccoc3)O	0L8	2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol
+Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC	0L9	(2s)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid
+C[C@@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O	0LA	(2s)-2-(6-chloro-9h-carbazol-2-yl)propanoic acid
+c1cc(ccc1N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(CC4)C#N)F	0LB	(1r,2r)-n-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide
+c1cc2c(cc1F)c3c([nH]2)CCN(C3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N	0LC	(1r,2r)-n-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cn(nc3N(C2=O)O)c4ccccc4)O	0LD	(5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2h-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+c1ccc(cc1)CCCCO[C@@H]2C[C@H](NC2)C(=O)O	0LF	(4r)-4-(4-phenylbutoxy)-l-proline
+CC(C)c1cccc(c1)CNC[C@H]([C@@H]2COC/C=C/C[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N2)c4ccccc4)O	0LG	n-[(4s,8e,11s)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-n-methylmethanesulfonamide
+c1ccc2c(c1)ccn2CCN	0LH	2-(1h-indol-1-yl)ethanamine
+Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	0LI	3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-n-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide
+[H]/N=C(/N)\N[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl	0LJ	n-[(1r,2r)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide
+[H]/N=C(\N)/N[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl	0LK	n-[(1s,2s)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide
+c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)N	0LL	n-[(1s,2s)-2-amino-2,3-dihydro-1h-inden-1-yl]-n'-(4-chloro-3-fluorophenyl)ethanediamide
+CC1(CC(CC(N1C)(C)C)NC(=O)C(=O)Nc2ccc(c(c2)F)Cl)C	0LM	n-(4-chloro-3-fluorophenyl)-n'-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanediamide
+CN1CCCCN(S(=O)(=O)NC(=O)c2ccc3c(c2)n4c(c3C5CCCCC5)-c6ccc(cc6C=C(C4)C1=O)OC)C	0LN	13-cyclohexyl-3-methoxy-17,22-dimethyl-7h-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide
+c1ccc(cc1)c2cc(cnc2)C(=O)O	0LO	5-phenylpyridine-3-carboxylic acid
+CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@H]([C@@H](CO)O)O)C(=O)O)C/C=C/c2ccccc2)O	0LP	5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2e)-3-phenylprop-2-en-1-yl]-d-glycero-l-altro-non-2-enonic acid
+c1ccc(cc1)C(c2ccccc2)N3[C@H]4CNC[C@@H]4N(C(=O)C3=O)C(c5ccccc5)c6ccccc6	0LQ	(4as,7as)-1,4-bis(diphenylmethyl)hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione
+c1ccc(cc1)[C@H]2CCNC[C@@H]2OCc3ccc4ccccc4c3	0LR	(3r,4r)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine
+c1ccc(cc1)C[C@@H]2CNC[C@H]2CN(c3ccccc3)c4ccc(cc4)Cl	0LS	n-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-n-phenylaniline
+CC(C)N(C[C@@H]1CNC[C@H]1Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC	0LT	n-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-n-(propan-2-yl)benzamide
+c1ccc2c(c1)C(c3ccccc3S2)C[C@@H](CN4CCCC4)O	0LU	(2s)-1-(pyrrolidin-1-yl)-3-(9h-thioxanthen-9-yl)propan-2-ol
+CC1(Cc2cccc(c2O1)CO)C	0LV	(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol
+c1ccc2c(c1)C(c3ccccc3S2)C[C@H](CN4CCCC4)O	0LW	(2r)-1-(pyrrolidin-1-yl)-3-(9h-thioxanthen-9-yl)propan-2-ol
+CO[C@H](C[C@H](CCCCNCc1ccc(cc1)F)C(=O)NO)c2ccc(cc2)F	0LX	(2s)-6-[(4-fluorobenzyl)amino]-2-[(2r)-2-(4-fluorophenyl)-2-methoxyethyl]-n-hydroxyhexanamide
+CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C	0LY	n-(4-bromophenyl)-n'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
+c1ccc2c(c1)CCN[C@@H]2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl	0LZ	n-(4-chloro-3-fluorophenyl)-n'-[(1s)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide
+CC1(O[C@H]([C@@H](O1)CNC(=O)C(=O)Nc2ccc(c(c2)F)Cl)CN)C	0M1	n-{[(4s,5s)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-n'-(4-chloro-3-fluorophenyl)ethanediamide
+C[C@H](CN1CC2=C(C1)c3ccccc3Nc4c2cccc4)O	0M2	(2r)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1h)-yl)propan-2-ol
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC(c3ccccc3)c4ccccc4	0M3	(3s,5r)-n-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide
+c1cc(c(cc1NC(=O)C(=O)NC[C@@]23CCC[C@@H]2CNC3)F)Cl	0M4	n-(4-chloro-3-fluorophenyl)-n'-[(3as,6as)-hexahydrocyclopenta[c]pyrrol-3a(1h)-ylmethyl]ethanediamide
+c1cc(c(cc1NC(=O)C(=O)NC[C@H]2CCN(C2)C3CC3)F)Cl	0M5	n-(4-chloro-3-fluorophenyl)-n'-{[(3r)-1-cyclopropylpyrrolidin-3-yl]methyl}ethanediamide
+CC(C)C[C@@H](C(=O)N[C@@H](CCO)CO)NC(=S)Nc1ccccc1	0M6	n-[(2s)-1,4-dihydroxybutan-2-yl]-n~2~-(phenylcarbamothioyl)-l-leucinamide
+CCCCCNCC(P(=O)(O)O)P(=O)(O)O	0M7	[2-(pentylamino)ethane-1,1-diyl]bis(phosphonic acid)
+CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O	0M8	[2-(heptylamino)ethane-1,1-diyl]bis(phosphonic acid)
+CCCNCC(P(=O)(O)O)P(=O)(O)O	0M9	[2-(propylamino)ethane-1,1-diyl]bis(phosphonic acid)
+CC1(C[C@H]2C3=CC[C@H]4[C@]([C@@]3(CC[C@]2(C=C1)C(=O)O)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)C	0MA	maslinic acid
+c1ccc(cc1)c2nc(sn2)N3CCCNCC3	0MB	1-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
+CC[C@@H]1CCCC[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O	0MC	{3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-{[(1s,2r)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
+CC[C@H]1CCCC[C@@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O	0MD	{3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-{[(1r,2s)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
+c1ccc2c(c1)C(c3ccccc3O2)CNC(=O)[C@H]4CCCNC4	0ME	(3s)-n-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide
+Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccco5	0MF	n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]furan-2-carboxamide
+C(C[C@@H](C(=O)C(=O)O)N)CNC(=[NH2+])N	0MG	amino{[(4s)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
+Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5cccs5	0MH	n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N]=N)O	0MI	1-[(2~{r},4~{s},5~{r})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3c4ccccc4Oc5c3cccc5	0MJ	(3s,5r)-5-{[(4-methylphenyl)sulfonyl]amino}-n-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide
+C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O	0MK	beta-l-ribopyranose
+C[C@@H]([C@@H](C(=O)NCc1ccc(cc1)I)O)N	0ML	(2s,3s)-3-amino-2-hydroxy-n-(4-iodobenzyl)butanamide
+Cc1c(c(no1)c2cccnc2Cl)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]	0MM	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone
+COc1cccc(c1)OCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3	0MN	n-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide
+CCCCOc1cc(ccc1OC)C[C@@H]2CNC(=O)N2	0MO	(4r)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one
+CC(=O)N[C@@H](Cc1ccc(cc1)F)[C@@H](CN[C@H]2CC3(CCC3)Oc4c2cc(cn4)CC(C)(C)C)O	0MP	n-((2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide
+C1CCC(CC1)NCC(P(=O)(O)O)P(=O)(O)O	0MQ	[2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid
+Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4cc(c(cc4Cl)[N+](=O)[O-])NC(=O)c5ccccn5	0MR	n-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide
+Cc1cc(cnc1N2CCN(CC2)C(=O)c3c(onc3c4ccccc4Cl)C)Br	0MS	[4-(5-bromanyl-3-methyl-pyridin-2-yl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
+c1ccc(cc1)c2c3c([nH]n2)C(=O)N([C@@H]3c4ccc(cc4)[N+](=O)[O-])c5ccc(cc5)C(=O)O	0MT	4-[(4r)-4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid
+CC(=O)OCC1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)CCC[C@H](C(=O)O)N	0MU	(2r)-5-(acetyloxymethyl)-2-[(1r)-1-[[(5r)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)Nc4ccccc4C(=O)N3	0MV	(3s)-3-(1h-indol-3-ylmethyl)-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione
+CCCCCCNCC(P(=O)(O)O)P(=O)(O)O	0MW	[2-(hexylamino)ethane-1,1-diyl]bis(phosphonic acid)
+c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)NC(=O)c5ccco5	0MX	n-[5-(4-{[(3-chlorophenyl)sulfonyl]amino}phenyl)-1h-indazol-3-yl]furan-2-carboxamide
+c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)N	0MY	n-[4-(3-amino-1h-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide
+c1ccc(c(c1)/C=N/N=C\2/N=C([C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O)O	0MZ	2-{(2z,5s)-4-hydroxy-2-[(2e)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-n-[3-(trifluoromethyl)phenyl]acetamide
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3(c4ccccc4Oc5c3cccc5)CCCCOC	0N0	(3s,5r)-n-{[9-(4-methoxybutyl)-9h-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide
+Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/C[C@@H](NC2=O)c3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O	0N1	(4s,8e,11r)-4-[(1r)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione
+C[C@@H]1[C@@H]([C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N)O	0N2	(2r,4s,5r,6r)-4-amino-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)O	0N3	3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
+B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)O	0N4	[({[4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
+COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4	0N5	n-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide
+c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3ccc4c(c3)CCNC4	0N6	(r)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
+c1ccc2c(c1)CC(=O)N(C2=O)O	0N7	2-hydroxyisoquinoline-1,3(2h,4h)-dione
+c1ccc(cc1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O	0N8	(2z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid
+Cn1cc(nc1)C2=NC(=C(C(=O)N2)O)C(=O)O	0N9	5-hydroxy-2-(1-methyl-1h-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)O	0NA	[({[6-(1h-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid
+B(CNS(=O)(=O)c1ccc(c(c1)Cl)c2[nH]nnn2)(O)O	0NB	[({[3-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
+C[C@@H](C(=O)NC)N	0NC	n-methyl-l-alaninamide
+B(CNS(=O)(=O)c1ccc(cc1Cl)c2[nH]nnn2)(O)O	0ND	[({[2-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
+B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)O	0NE	[({[4-(1h-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid
+CC(C)(c1cc(cc(c1)NC(=O)[C@H]2CCc3ccc(cc3C2)Oc4ccnc5c4CCC(=O)N5)C(F)(F)F)N	0NF	(2s)-n-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
+B(CNS(=O)(=O)CCl)(O)O	0NG	({[(chloromethyl)sulfonyl]amino}methyl)boronic acid
+CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3	0NH	1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
+CC1=C(C(=O)c2ccccc2N1)CC=C(C)CC/C=C(\C)/CCC=C(C)C	0NI	aurachin d
+COc1ccc2c(c1)sc(n2)c3ccccc3F	0NJ	2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole
+CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC	0NK	6,7,8-trimethoxy-n-(pentan-3-yl)quinazolin-4-amine
+CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n2cnc3c2c4cc[nH]c4nc3	0NL	tert-butyl [(1r,3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)cyclopentyl]carbamate
+C(#N)O	0NM	cyanic acid
+c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC4(CC3)c5ccccc5CO4	0NN	1-benzyl-n-[3-(1'h,3h-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-d-prolinamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=N)F	0NP	2',3'-dideoxy-2'-fluoro-3'-triaza-1,2-dien-2-ium-1-yluridine
+CCO[P@@]1(=O)c2cc(ccc2NC(=N1)C3=C([C@@H](N(C3=O)CCC(C)(C)C)C(C)(C)C)O)NS(=O)(=O)C	0NQ	n-{(1s)-3-[(5s)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide
+COC(=O)C1=C(C(=O)c2cccnc2N1c3ccccc3)Cc4ccc(cc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)N	0NR	methyl 3-(4-{[(1r,2s,3s,5s,7s)-5-aminotricyclo[3.3.1.1~3,7~]dec-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate
+CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC	0NS	2-methoxy-n-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide
+CC(C)N1CCC[C@H]1C(=O)N2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4	0NT	[4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl][(2s)-1-(propan-2-yl)pyrrolidin-2-yl]methanone
+c1c[nH]c2c1c3c(cn2)ncn3[C@@H]4CCCN(C4)C(=O)CC#N	0NU	3-[(3r)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl)piperidin-1-yl]-3-oxopropanenitrile
+c1ccc(cc1)CN2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4	0NV	1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3cccc(c3)c4ccc(cc4Cl)Cl)/N	0NW	3-[(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide
+c1ccc(cc1)c2cc(no2)CO	0NX	(5-phenyl-1,2-oxazol-3-yl)methanol
+Cc1cc([nH]n1)C[C@H](C)Nc2c3ccc(c(c3ncn2)OC)OC	0NY	7,8-dimethoxy-n-[(2s)-1-(3-methyl-1h-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine
+C1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O	0NZ	2-deoxy-6-o-phosphono-beta-d-glucopyranose
+c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCC5)N=C(NC4=O)N	0O1	6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	0O2	guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)
+C=C(CCOP(=O)(O)OP(=O)(O)O)CO	0O3	3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate
+c1ccc2c(c1)ccnc2c3ccc(cc3)C(=O)NCCN4CCOCC4	0O4	4-(isoquinolin-1-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide
+Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4	0O5	4-(3-methylisoquinolin-1-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](c3ccccc3)c4cn(nn4)CCCCc5ccc(cc5)CCCCn6cc(nn6)[C@H](c7ccccc7)NC(=O)[C@@H]8CC[C@H]9N8C(=O)[C@H]([C@H](CC9)CO)NC(=O)[C@H](CC)NC)CO)NC	0O6	(3s,6s,7s,9as,3's,6's,7's,9a's)-n,n'-(benzene-1,4-diylbis{butane-4,1-diyl-1h-1,2,3-triazole-1,4-diyl[(s)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2s)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide]
+CCc1ccc(cc1)c2ccc3c(c2)-c4c(c[nH]n4)S(=O)(=O)N3C	0O7	8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide
+CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1CC[N+](CC1)(C)C	0O8	(1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate
+CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O[C@H]1[C@H](C[C@@H]([C@H]([C@H]1O)O)O)OCC(C)C)OC	0O9	(2s)-2-methoxy-3-(octadecyloxy)propyl (1r,2r,3r,4s,6s)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (s)-phosphate
+CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)OCC2CCCCC2)OC	0OA	(1r,2s,3r,4s,6s)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2r)-2-methoxy-3-(octadecyloxy)propyl hydrogen (s)-phosphate
+c1ccc2c(c1)cc(s2)CCC(=O)O	0OB	3-(1-benzothiophen-2-yl)propanoic acid
+CN(C)S(=O)(=O)c1ccsc1	0OC	n,n-dimethylthiophene-3-sulfonamide
+CC12=C3([Rh+]145(C2(=C4(C53C)CCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)C)(Cl)(Cl)Cl)C	0OD	trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)
+c1cc(cc(c1)Cl)c2c(cn[nH]2)c3nc4cc(ccc4n3CCCn5ccnc5)c6ccc(cc6)C(=O)O	0OE	4-{2-[5-(3-chlorophenyl)-1h-pyrazol-4-yl]-1-[3-(1h-imidazol-1-yl)propyl]-1h-benzimidazol-5-yl}benzoic acid
+CCN1c2ccc(cc2N(C(=O)[C@H](C1=O)c3cc(cc(c3)O)c4cccnc4)c5ccccc5)C(F)(F)F	0OF	(3s)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1h-1,5-benzodiazepine-2,4(3h,5h)-dione
+CCc1cc(n(n1)c2ccc3c(c2)nc(n3CC4=CNC(=O)C=C4)c5cc(ccc5O)C(=O)O)c6ccc(o6)C	0OG	3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1h-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1h-benzimidazol-2-yl}-4-hydroxybenzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N	0OH	north-methanocarba-2'-deoxyadenosine triphosphate
+CNC(=O)Nc1ccccc1F	0OI	n-(2-fluorophenyl)-n'-methylurea
+c1nc(c2c(n1)n(cn2)[C@]34C[C@H]3[C@@H]([C@H](C4)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N	0OJ	south-methanocarba-2'-deoxyadenosine triphosphate
+c1ccc(cc1)N2C=Nc3ccccc3C2=O	0OK	3-phenylquinazolin-4(3h)-one
+c1ccc(cc1)C(=O)N2CCCCC2	0OL	phenyl(piperidin-1-yl)methanone
+c1ccc(cc1)COC(=O)c2cccnc2	0OM	benzyl pyridine-3-carboxylate
+c1ccc(cc1)NC(=O)c2cccnc2	0ON	n-phenylpyridine-3-carboxamide
+c1ccc(cc1)Oc2cccc(c2)CO	0OO	(3-phenoxyphenyl)methanol
+c1ccc(cc1)COc2cccc(c2)CO	0OP	[3-(benzyloxy)phenyl]methanol
+c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)C(F)(F)F	0OQ	(1r,5s)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
+CC(C)(COP(=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N)O	0OR	n~3~-[(2r)-2-hydroxy-4-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alaninamide
+COc1ccc(cc1OC)CC[C@@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3S(=O)(=O)c4cc(cc(c4)Cl)Cl	0OS	{3-[(1s)-1-[({(2s)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
+CCOc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2	0OT	2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1h)-one
+c1ccc2c(c1)C(=O)C=C(N2)NCCCNCc3cc(cc(c3)Cl)Cl	0OU	2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1h)-one
+C[C@@H]1CCCC[C@@H]1Oc2nc(c3c(n2)N(C=CC3=O)CC#N)N	0OV	[4-amino-2-{[(1s,2r)-2-methylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5h)-yl]acetonitrile
+C1CCC(C1)Oc2nc(c(c(n2)O[C@@H]3CCC[C@@H]3O)C(=O)N)N	0OW	4-amino-2-(cyclopentyloxy)-6-{[(1r,2s)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide
+c1c(c(nc(n1)OC2CCCC2)N)C(=O)N	0OX	4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide
+c1cc(ccc1C(=O)N2CCOCC2)O	0OY	(4-hydroxyphenyl)(morpholin-4-yl)methanone
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+]	0P0	n-[(4r)-4-ammonio-4-carboxybutanoyl]-l-cysteinylglycine
+C[C@@H](C(=O)N[C@@H](CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C)NC(=O)OCc2ccccc2	0P1	n-[(benzyloxy)carbonyl]-l-alanyl-n-{(1s)-1-[(r)-[(1r)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl }-l-alaninamide
+B([C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)(O)O	0P2	n~2~-[(benzyloxy)carbonyl]-n-[(1r,2s)-1-(dihydroxyboranyl)-2-methylbutyl]-l-alaninamide
+c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl	0P4	n-(1h-benzimidazol-2-yl)-n'-(3,5-dichlorobenzyl)propane-1,3-diamine
+COc1ccc(c(c1)Cl)Oc2cc(nc(n2)N3CCNC(=O)C3)NCc4[nH]c5ccccc5n4	0P5	4-{4-[(1h-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one
+c1cc2ccc(nc2c(c1)O)N	0P6	2-aminoquinolin-8-ol
+COc1c(cc(cc1Br)Br)CNCCCNC2=CC(=O)c3ccccc3N2	0P8	2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1h)-one
+C1CCC(C1)CC(=O)O	0PA	cyclopentylacetic acid
+C[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2	0PC	nalpha-[(benzyloxy)carbonyl]-n-[(1s)-3-chloro-1-methyl-2-oxopropyl]-l-phenylalaninamide
+CCc1ccc(cc1)c2ccc3c(c2)-c4c(cnn4CC)S(=O)(=O)N3C	0PF	1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide
+	0PI	n-[(2r,4s)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-l-leucine
+	0PJ	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-leucine
+	0PK	n-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-l-leucyl-l-alanine
+Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)c4ccccc4)Cl	0PL	(3s)-3-{4-chloro-3-[(n-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1h-1,2,3-benzotriazol-5-yl)propanoic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)NC(C)(C)C)SCc3cccnc3)O)NC(=O)c4ccc5ccccc5n4	0PO	n-[(1r)-1-{[(1s,2s)-1-benzyl-3-{(2r,4s)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamide
+CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc3ccccc3n2)O)C(C)(C)C	0PP	(2s)-2-tert-butyl-n~4~-(1-ethylpropyl)-n~1~-[(2r,3s)-2-hydroxy-4-phenyl-3-{[n-(quinolin-2-ylcarbonyl)-l-threonyl]amino}butyl]butanediamide
+c1ccc(cc1)C[C@H](C[P@@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O	0PQ	n-{(2r)-3-[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-l-phenylalanine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](Cc2ccc(cc2)O)C(=O)O)O	0PR	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-tyrosine
+CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC(=O)N)NC(=O)c2ccc3ccccc3n2)O)C(=O)NCC(C)(C)C	0PX	n~1~-{(1s,2s,4s)-1-(cyclohexylmethyl)-4-[(2,2-dimethylpropyl)carbamoyl]-2-hydroxy-5-methylhexyl}-n~2~-(quinolin-2-ylcar bonyl)-l-aspartamide
+c1ccncc1	0PY	pyridine
+CCCC[C@@H]1CO1	0PZ	(2r)-2-butyloxirane
+Cc1c(c(on1)C)c2ccc3c(c2)[C@@](CC3)(c4ccccc4)O	0Q1	(1r)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1h-inden-1-ol
+Cc1nc2cnc3c(c2n1[C@@H]4CCC[C@H](C4)O)CC=N3	0Q2	(1r,3r)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8h)-yl)cyclohexanol
+CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N	0Q4	n-[(2r)-2-({n~5~-[amino(iminio)methyl]-l-ornithyl-l-valyl}amino)-4-methylpentyl]-l-phenylalanyl-l-alpha-glutamyl-l-alanyl-l-norleucinamide
+CCCCc1c(c(nn1c2ccccc2)CO)c3ccc(cc3C(=O)N4CCc5ccccc5C4)C(=O)NS(=O)(=O)CC[Si](C)(C)C	0Q5	4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)-n-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide
+c1cc(cc(c1)Br)COc2ccc(cc2)C(=O)N	0Q6	4-[(3-bromophenyl)methoxy]benzamide
+CN(CCCC(=O)c1cccnc1)N=O	0QA	4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
+	0QB	(2s)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n~1~-{(1s,2s)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3r)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-n~4~-[2-(dimethylamino)-2-oxoethyl]-n~4~-[(1s)-1-phenylethyl]butanediamide
+CCl	0QE	chloromethane
+CCS[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N3CCOCC3	0QF	n-[(1s)-2-{[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-nalpha-(morp holin-4-ylsulfonyl)-l-phenylalaninamide
+	0QG	3-methyl-l-valyl-l-prolyl-l-isoleucine
+	0QH	(1r)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2s)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium
+CC(C)C[C@H](CS)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)O	0QI	o-methyl-n-[(2s)-4-methyl-2-(sulfanylmethyl)pentanoyl]-l-tyrosine
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCN(C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	0QJ	5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine
+CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O	0QK	7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+C(CSSC[C@@H](C(=O)O)N)N	0QL	3-[(2-aminoethyl)disulfanyl]-l-alanine
+	0QN	n-(trifluoroacetyl)-l-valyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
+C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OCCO4)F	0QQ	n-[3-[(4r,5r,6r)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
+c1cc(nc(c1)NS(=O)(=O)c2ccc(cc2)F)N	0QR	n-(6-aminopyridin-2-yl)-4-fluorobenzenesulfonamide
+CC(C)(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC3CCCCC3)C(C(C(=O)NCCN4CCOCC4)(F)F)(O)O	0QS	n~2~-[(2r)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-n-{(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1h-imidazol-3-ium-4-yl)-l-alaninamide
+c1ccc2c(c1)c(c[nH]2)C(=S)N3CCC(CC3)O	0QV	(4-hydroxypiperidin-1-yl)(1h-indol-3-yl)methanethione
+c1ccc(c(c1)C(=S)N2CCCC2)O	0QW	(2-hydroxyphenyl)(pyrrolidin-1-yl)methanethione
+c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccncc4n3	0QX	2-(1h-indol-3-ylmethyl)-1h-imidazo[4,5-c]pyridine
+c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccc(cc4n3)NC(=O)[C@@H]5CCCN5	0QY	n-[2-(1h-indol-3-ylmethyl)-1h-benzimidazol-5-yl]-l-prolinamide
+C([C@H](C(=O)O)O)N	0QZ	d-isoserine
+c1ccc(c(c1)C#N)O	0R0	2-hydroxybenzonitrile
+c1ccc2c(c1)cno2	0R1	1,2-benzisoxazole
+CC[C@@H](C(=O)OC(C)(C)C)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	0R2	[(3r,5r,6s)-1-[(2s)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
+CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	0R3	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2s,3s)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
+CC(=O)Nc1cccc(c1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)CNC(=O)c6cccc(c6)F	0R4	n-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3h-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0R5	2'-deoxy-5-[(4-ethynylphenyl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	0R6	2'-deoxy-5-[(4-ethynylphenyl)ethynyl]cytidine 5'-(tetrahydrogen triphosphate)
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3CC[C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O	0R7	[[(2s,5r)-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3CC[C@H](O3)COP(=O)(O)O	0R8	[(2s,5r)-5-{4-amino-5-[(4-ethynylphenyl)ethynyl]-2-oxopyrimidin-1(2h)-yl}tetrahydrofuran-2-yl]methyl dihydrogen phosphate
+CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cc(cnc3)C(=O)O)n4ccc(n4)C(F)(F)F	0R9	5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1h-pyrazol-1-yl]-1h-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid
+c1cc(cc(c1)c2cc3cc[nH]c3nc2)CCC(=O)O	0RA	3-[3-(1h-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanoic acid
+c1c([nH]nn1)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N	0RB	2-amino-4-oxo-n-(1h-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CCN)O)O)O	0RC	5'-o-[(s)-{[(r)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(cc4)C(=O)O	0RD	4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1h-indol-6-yl}carbonyl)amino]benzoic acid
+CCCC[C@@H](CO)O	0RE	(2s)-hexane-1,2-diol
+C[C@@H]1C[C@H](c2c1c(ncn2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)c4ccc(cc4)Cl)O	0RF	(2s)-2-(4-chlorophenyl)-1-{4-[(5r,7r)-7-hydroxy-5-methyl-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-one
+c1cc(cc(c1)n2c(cc(n2)C(F)(F)F)C(=O)Nc3cc(ccc3F)[C@@H](c4cccc(c4)C#N)NCC5CC5)CN	0RI	orladeyo
+C([C@@H](C(=O)O)N)NC=O	0RJ	3-(formylamino)-l-alanine
+Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(c(c4)Cl)C(=O)O	0RK	2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1h-indol-6-yl}carbonyl)amino]benzoic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C	0RM	(2r,4s)-2-{(r)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C	0RN	sulbactam
+CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(S4)(C)C	0RO	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine
+CC[C@@H]1C[C@@H](c2cc(ccc2N1C(=O)OCC)C(F)(F)F)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)OC	0RP	ethyl (2r,4s)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2h )-carboxylate
+CC(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	0RQ	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(4-oxidanylidenepentylamino)propyl]amino]butyl] hydrogen phosphate
+c1cc(c(c(c1)Cl)CN2c3ccc(cc3/C(=C/4\C(=O)N(C(=S)S4)CCC(=O)O)/C2=O)Cl)Cl	0RR	3-{(5z)-5-[5-chloro-1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3h-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
+CN(C)C1CCN(CC1)c2ccc3c(n2)nc([nH]3)C(=O)c4ccnc(c4)c5cncc6c5cccc6	0RS	{5-[4-(dimethylamino)piperidin-1-yl]-1h-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone
+CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F)C	0RT	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
+Cc1cccc2c1NC(=NC2=O)CSc3ncccn3	0RU	8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1h)-one
+CC1=C(C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C	0RV	(2s)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2h-pyrro le-5-carboxylic acid
+Cc1c2ccccc2n[nH]1	0RW	3-methyl-2h-indazole
+c1cc(ccc1NC(=O)c2ccnc(c2)N3CCOCC3)Oc4ccncc4	0RX	2-(morpholin-4-yl)-n-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide
+c1cc(cc(c1)NC(=O)/C=C\C(=O)O)C(=O)N	0RY	(2z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid
+c1cc(cc(c1)NC(=O)/C=C/C(=O)O)C(=O)N	0RZ	(2e)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid
+c1cc(ccc1/N=N/C2=CC=C(NC2=O)O)S(=O)(=O)N	0S0	4-[(e)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2[C@H](C[C@@H]2O)CC=C	0S1	n-((1r,2s)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form
+CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)C(C)C	0S2	5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid
+CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)N(C)C	0S3	5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid
+CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO	0S4	n-hydroxy-2-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide
+c1ccc(cc1)C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3CCCC3)CN(C=O)O	0S5	n-benzoyl-1-[(2r)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl]-l-prolinamide
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)OC)c4ccc(cc4)Cl)C	0S6	methyl [(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
+Cc1cc([nH]n1)Nc2c(cnc(n2)NCCc3cccnc3)Br	0S7	5-bromo-n~4~-(3-methyl-1h-pyrazol-5-yl)-n~2~-[2-(pyridin-3-yl)ethyl]pyrimidine-2,4-diamine
+Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCCOC)Br	0S8	5-bromo-n~4~-[3-(3-methoxypropyl)-1h-pyrazol-5-yl]-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
+Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCc4ccccc4)Br	0S9	5-bromo-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-n~4~-[3-(2-phenylethyl)-1h-pyrazol-5-yl]pyrimidine-2,4-diamine
+CCCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	0SA	undecyl 4-o-alpha-d-glucopyranosyl-1-thio-beta-d-glucopyranoside
+c1cc(cc(c1)N2CCNCC2)c3cccc(n3)Nc4cc(ccn4)C(F)(F)F	0SB	n-{6-[3-(piperazin-1-yl)phenyl]pyridin-2-yl}-4-(trifluoromethyl)pyridin-2-amine
+CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4c5cc[nH]c5ccc4F)N6CCOCC6)O	0SC	2-(1-{[2-(5-fluoro-1h-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol
+CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cccc5c4c[nH]n5)N6CCOCC6)O	0SD	2-(1-{[2-(2h-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol
+CC(C)(C1CCN(CC1)Cc2ccc3c(n2)c(nc(n3)c4cnc(nc4)N)N5CCOCC5)O	0SE	2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol
+CCc1cc(ccc1Cl)Oc2ccnc(n2)N(Cc3cccc(c3)OC(C(F)F)(F)F)C[C@H](C(F)(F)F)O	0SF	(2r)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol
+CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O	0SG	n-{(2s,3r,4e)-1-[(3,6-di-o-sulfo-beta-d-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	0SH	n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexadecanamide
+c1ccc(cc1)COc2ccc3c(c2)-c4ccsc4NC3=O	0SI	8-phenylmethoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
+c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)Cl	0SJ	(1r,5s)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
+C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)c4cc(cc(c4S3)NO)C(F)(F)F	0SK	8-(hydroxyamino)-2-[(2s)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4h-1,3-benzothiazin-4-one
+c1ccc2cc(ccc2c1)S(=O)(=O)N3CCC[C@H](C3)C(=O)O	0SL	(3r)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid
+CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](C)O	0SM	trimethyl-[2-[[(2s,3s)-2-(octadecanoylamino)-3-oxidanyl-butoxy]-oxidanyl-phosphoryl]oxyethyl]azanium
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O	0SN	{4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCNC(=O)OC(C)(C)C	0SO	tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate
+CCCSSCCCNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	0SP	2'-deoxy-n-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate)
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N	0SQ	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCN3CCOCC3	0SR	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCN(CC3)C(=O)Nc4cc(nn4c5ccc(cc5)C)C(C)(C)C	0SS	n-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCOCC3	0ST	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCO	0SU	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(2-hydroxyethyl)urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCCCO	0SV	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(5-hydroxypentyl)urea
+c1ccc(cc1)CCNc2c3ccccc3ncn2	0SW	n-(2-phenylethyl)quinazolin-4-amine
+c1cc2c(cc1Cl)c3c(o2)C(=O)NC(=N3)[C@@H]4CCCN4	0SX	8-chloro-2-[(2s)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3h)-one
+c1cnccc1c2cc3c([nH]2)CCNC3=O	0SY	2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)O	0SZ	3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)benzoic acid
+CNC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2	0T0	3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)-n-methylbenzamide
+CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	0T1	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate
+CC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5	0T2	2-chloro-3-[(2-cyanopropan-2-yl)oxy]-n-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide
+c1cc(ccc1C#N)[C@H]2CCCc3n2cnc3	0T3	4-[(5r)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
+CC(c1ccccc1)NC(=O)c2cc(cc(c2)NO)C(F)(F)F	0T4	3-(hydroxyamino)-n-[(1r)-1-phenylethyl]-5-(trifluoromethyl)benzamide
+CC(c1ccccc1)NC(=O)c2cc(cc(c2)[N+](=O)[O-])C(F)(F)F	0T5	3-nitro-n-[(1r)-1-phenylethyl]-5-(trifluoromethyl)benzamide
+Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC	0T6	1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
+CCCc1nc(c2n1c3ccc(cc3nc2C)OCc4ccc5ccccc5n4)C	0T7	3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline
+c1cnccc1CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	0T8	4-(cyclopentylamino)-n-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide
+CC[C@H](C)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	0T9	 (3s,8s,9s,10r,13s,14s,17r)-3-hydroxy-10,13-dimethyl-17-[(2s,6s)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16h-cyclopenta[a]phenanthren-16-one
+Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3c[nH]nc3)C4CCCC4	0TA	2-amino-8-cyclopentyl-4-methyl-6-(1h-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc(c(nc3)OC)F)N4CCCC4	0TB	2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8h)-one
+CS[C@@H]([C@@H](C(=O)O)N)C(=O)O	0TD	(3s)-3-(methylsulfanyl)-l-aspartic acid
+CSC1=NN2C(=C3C=CC=CN3[Cu]2(S1)Cl)c4ccccn4	0TE	chloro{methyl hydrogenato(3-)-kappa~2~n,s [pyridin-2-yl(pyridin-2(1h)-ylidene-kappan)methyl]carbonodithiohydrazonate}copper
+C(CCNC(=O)[C@@H](CCCN)N)C[C@@H](C(=O)O)N	0TF	n~6~-d-ornithyl-l-lysine
+CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)O	0TH	n-(propylsulfonyl)-d-threonine
+c1cc2c(cc1F)[C@H](C(=O)N2)O	0TI	(3r)-5-fluoro-3-hydroxy-1,3-dihydro-2h-indol-2-one
+c1nc2c(n1CC(=O)NCCCCCC=O)c(c(c(c2Br)Br)Br)Br	0TJ	n-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1h-benzimidazol-1-yl)acetamide
+C(C[C@H](C(=O)OP(=O)(O)O)N)CN	0TK	(2r)-2,5-diaminopentanoyl dihydrogen phosphate
+CN(C)C(=O)CSc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)OC)OC	0TM	2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7h-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-n,n-dimethylacetamide
+c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81	0TN	delta-ru(phen)2(dppz) complex
+COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl	0TO	n-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
+CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N	0TP	4-amino-n-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)/C(=C(\C)/NC)/C(=O)N5	0TQ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({(3z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1h-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+C1=CC=C(C(=O)C=C1)O	0TR	2-hydroxycyclohepta-2,4,6-trien-1-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)S)CO)CO)CO)CO)O)O)O)O	0TS	beta-d-glucopyranosyl-(1->4)-4-thio-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-4-thio-beta-d-glucopyrano  syl-(1->4)-1-thio-beta-d-glucopyranose
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)CC3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)CO)O	0TT	1-[(2r,4s,5r)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5r)-1-[(2r,4s,5r)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione
+c1cc2c(cc1Cl)C=CC(=O)N2	0TU	6-chloroquinolin-2(1h)-one
+CCN(CC)CCC[C@H](C)Nc1ccnc2c1ccc(c2)Cl	0TX	(4s)-n~4~-(7-chloroquinolin-4-yl)-n~1~,n~1~-diethylpentane-1,4-diamine
+Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4	0TZ	3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-n-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
+C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O	0U	l-uridine-5'-monophosphate
+Cc1nc(cc(n1)Nc2cnccn2)c3c(nc4n3nccc4)Nc5cc[nH]n5	0U0	3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-n-(1h-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine
+C[Se][C@H]1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	0U1	2'-methylselenyl-2'-deoxy-l-uridine-5'-monophosphate
+CCC(CC)(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO	0U3	n-hydroxy-2-{4-[3-(4-{[(2s)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCCC4CCN(CC4)Cc5ccccc5)O	0U4	n-[(2s,3r)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+CCCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3C(c4ccccc4C=N3)C=C(C)C	0U5	(2e)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one
+CCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3[C@H](c4ccccc4C=N3)C=C(C)C	0U6	(2e)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-yl]prop-2-en-1-one
+c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(cc(c3)Cl)Cl	0U7	3-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
+C1[C@@H]2[C@H]([C@@H]([C@@](O2)(OC[C@@H]3[C@H]([C@@H]([C@](O1)(O3)CO)O)O)CO)O)O	0U8	(1r,4r,5s,6s,7r,10r,11s,12s)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol
+C[C@@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O	0U9	s-bicalutamide
+c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl	0UA	3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)OC[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O)O)O)O)O)O)O)O	0UB	beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranosyl-(2->6)-beta-d-fructofuranose
+c1cc(c(cc1S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)Br	0UC	4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride
+[H]/N=C(\NCC)/NC(=O)Nc1c(cccc1C(C)C)C(C)C	0UD	n-[2,6-di(propan-2-yl)phenyl]-n'-(n-ethylcarbamimidoyl)urea
+CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN	0UE	ferrioxamine b
+CCCCN1C(=O)C(=CC=CC=C2N(c3ccccc3O2)CCCS(=O)(=O)O)C(=O)N(C1=S)CCCC	0UF	3-[(2e)-2-[(2z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2h)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2h)-yl]propane-1-sulfonic acid
+C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O	0UH	2'-deoxy-2-oxoadenosine 5'-(dihydrogen phosphate)
+c1cc2c(cc1O)-c3ccsc3NC2=O	0UI	8-oxidanyl-4~{h}-thieno[2,3-c]isoquinolin-5-one
+CS(=O)(=O)NCc1nc2cnc3c(c2n1[C@@H]4C[C@H]5CC[C@@H]4C5)cc[nH]3	0UJ	n-({1-[(1r,2r,4s)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide
+C[C@@H]1[C@@H]2[C@@H](C(/C(=C/C3=N/C(=C(\C4=N[C@@]([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)([C@@]([C@@H]4CCC(=O)O)(C)CC(=O)O)C)/C)/[C@@]([C@@H]3CCC(=O)O)(C)CC(=O)O)/N2)(C)C)CCC(=O)O	0UK	3-[(1r,2r,3r,5r,6s,7r,9z,12s,13s,14z,17s,18s,19r)-2,13,18-tris(2-hydroxy-2-oxoethyl)-3,12,17-tris(3-hydroxy-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,12,17,22-octahydrocorrin-7-yl]propanoic acid
+c1ccc(cc1)c2cn3c(cn2)nc(n3)N	0UL	6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine
+CCCN[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	0UM	(2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc(c4)NC(=O)C=C)Cl	0UN	n-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
+COc1cccc2c1c(c[nH]2)C[C@@H](C(=O)O)N	0UO	4-methoxy-l-tryptophan
+C[C@H]1C[C@]2(CCN1Cc3ccc(c(c3)OC(C)C)O)CN(S(=O)(=O)N2c4cccc(c4)F)C	0UP	4-{[(5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol
+C[C@H]1C[C@]2(CCN1Cc3cccc(c3)OC(C)C)CN(S(=O)(=O)N2c4cccc(c4)F)C	0UQ	(5r,7s)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
+C=CCNS(=O)(=O)c1cccc(c1)C(=O)Nc2nc3cc(ccc3n2C4CCC(CC4)CO)CN5CCCCC5	0US	n-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1h-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide
+c1ccc(cc1)C(c2ccccc2)(C(=O)O)O	0UT	hydroxy(diphenyl)acetic acid
+COC(=O)C1CCC(CC1)n2c3cc(ccc3nc2NC(=O)c4ccccc4)CN5CCCCC5	0UU	methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1h-benzimidazol-1-yl]cyclohexanecarboxylate
+CC(C)NC(=O)C1CCC(CC1)N\2c3cc(ccc3N/C2=N\C(=O)c4ccc(cc4)F)CN5CCC(CC5)C(C)(C)O	0UV	4-fluoro-n-{(2e)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2h-benzimidazol-2-ylidene}benzamide
+c1ccc(cc1)C2=NNC(=O)N2	0UW	5-phenyl-2,4-dihydro-3h-1,2,4-triazol-3-one
+CNc1[nH]c2cc3c(c(c2n1)CCNCC45CC6CC(C4)CC(C6)C5)N=C(NC3=O)N	0UX	6-amino-2-(methylamino)-4-(2-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1cc(c(cc1[C@H](C(=O)O)N)Cl)O	0UZ	(2r)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid
+CCOc1cc(ccc1C[NH3+])OCC#Cc2ccc3ccncc3c2	0V0	(2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium
+CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5ccc(cc5)c6ccccc6)N=C(NC3=O)N	0V2	6-amino-4-[2-({[trans-4-(biphenyl-4-ylethynyl)cyclohexyl]methyl}amino)ethyl]-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5cccnc5)N=C(NC3=O)N	0V3	6-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC	0V4	(4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-d-glucopyranoside
+C[C@H](C(=O)O)OP(=O)(O)O	0V5	(2r)-2-(phosphonooxy)propanoic acid
+[H]/N=C\1/NC(CC(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl	0V6	(2z,6s)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1h)-one
+c1cc(cc(c1)F)CNCCS(=O)(=O)O	0V7	2-[(3-fluorobenzyl)amino]ethanesulfonic acid
+c1cc(cc(c1)Br)CNCCS(=O)(=O)O	0V8	2-[(3-bromobenzyl)amino]ethanesulfonic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCC	0V9	(19r,22s)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9z)-hexadec-9-enoate
+[H]/N=C(/NCc1cc(c(c(c1)Cl)N)Cl)\NC(=O)c2c(snc2c3ccc(cc3)OC)C	0VA	n-[n-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
+[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)C)/NC(=O)c2c(snc2c3ccc(cc3)OC)C	0VB	n-{n-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
+COCC[C@H]1C[C@@H]1c2cc(cnc2)OC[C@@H]3CCN3	0VC	3-[(2s)-azetidin-2-ylmethoxy]-5-[(1s,2r)-2-(2-methoxyethyl)cyclopropyl]pyridine
+c1ccc(cc1)COc2ccc(cc2)CC(=O)[C@H](Cc3c[nH]cn3)N	0VD	(3s)-3-amino-1-[4-(benzyloxy)phenyl]-4-(1h-imidazol-4-yl)butan-2-one
+CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O	0VE	3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol
+COc1ccc(cc1OC)Nc2c3c(nc(n2)N4CC[C@@H](C4)NC(=O)c5ccc(cc5)C(=O)O)scn3	0VF	4-{[(3s)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acid
+C[C@H]1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5	0VG	n-{6-[(2s)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine
+CCc1cccc(n1)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N	0VH	6-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide
+COc1ccc(cc1)CC2=C(C(=O)c3ccccc3C2=O)O	0VJ	2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione
+CCCc1cc(ccc1c2cc(ccc2C)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O	0VK	3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol
+c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F	0VM	2-[(4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-1h-benzimidazole-6-carbonitrile
+CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N	0VN	2-[(4-tert-butylphenyl)amino]-1h-benzimidazole-6-carbonitrile
+CCC(=CC=CC(CC)(CC)O)c1cccc(c1)OCc2ccc(c(c2)CO)CO	0VO	(4e,6z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol
+CCCc1cc(ccc1c2cc(ccc2CC)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O	0VP	3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol
+CC/C(=C\C=C\C(C(F)(F)F)(C(F)(F)F)O)/c1cccc(c1)CCc2ccc(c(c2)CO)CO	0VQ	(3e,5e)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol
+c1ccc(c(c1)C(=O)O)NC[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	0VR	1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate
+CC1=C(C(=O)c2ccccc2C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	0VS	l-gamma-glutamyl-s-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-l-cysteinylglycine
+CC(=CCCC(=O)C)C	0VT	6-methylhept-5-en-2-one
+c1cc(cc(c1)C(=O)N2CCCCC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N	0VU	4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide
+c1ccc2c(c1)CN/C(=N\S(=O)(=O)N)/N2	0VV	n-[(2e)-3,4-dihydroquinazolin-2(1h)-ylidene]sulfuric diamide
+C1CNC(=NS(=O)(=O)N)NC1	0VW	n-(tetrahydropyrimidin-2(1h)-ylidene)sulfuric diamide
+C1CO/C(=N\S(=O)(=O)N)/N1	0VX	n-[(2z)-1,3-oxazolidin-2-ylidene]sulfuric diamide
+C1CCN(C1)/C(=N/S(=O)(=O)N)/N	0VY	n'-sulfamoylpyrrolidine-1-carboximidamide
+CCOC(=O)[C@@H]1CS/C(=N\S(=O)(=O)N)/N1	0VZ	ethyl (2z,4r)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(=O)c2cc(no2)C3=CC(=O)C(=CN3O)O)NS(=O)(=O)O	0W0	(4r,5s,8z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid
+Cc1c2cc(sc2n(n1)C)C(=O)O	0W1	1,3-dimethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid
+C[C@@H](C(=O)N1CC[C@@H](N1c2ccccc2F)c3ccccc3Cl)NC(=O)NC4C5CC6CC(C5)CC4C6	0W2	1-{(2s)-1-[(3r)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-oxopropan-2-yl}-3-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]urea
+C[C@H](CCC(=O)O)C[C@H](C)C[C@H](C)C(=O)CC(=O)[C@H](C)C[C@H](C)C/C=C\[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O	0W3	(4r,6s,8s,12r,14r,16z,18r,19r,20s,21s)-19,21-dihydroxy-22-{(2s,2'r,5s,5's)-5'-[(1r)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid
+c1ccc(c(c1)CNc2c(nccn2)C(=O)NCc3ccccc3Cl)Cl	0W4	~{n}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
+CC(C)CCCCC/C=C/C=C/C(=O)O	0W5	(2e,4e)-11-methyldodeca-2,4-dienoic acid
+C[C@@H](CCC(=O)O)N	0W6	(4s)-4-aminopentanoic acid
+c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3	0W7	2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-n-phenylacetamide
+CCN1c2ccccc2NC1=O	0W8	1-ethyl-1,3-dihydro-2h-benzimidazol-2-one
+c1cc(c(cc1F)Nc2nc(cs2)c3ccncc3)O	0WA	4-fluoro-2-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]amino}phenol
+c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#N	0WB	3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile
+C[C@@](C#Cc1ccc2c(c1)N(CC2)c3c(cnc(n3)N)Cl)(c4nccs4)O	0WC	(2r)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1h-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)OP(=O)(O)O)O)N	0WD	[[(2r,3s,4r,5r)-5-(3-aminocarbonyl-4h-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4	0WE	n-methyl-n-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide
+C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)Oc5ccccc5	0WF	1-cyclopentyl-6-[(1r)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CN1c2c(c(c(c(n2)N)CN)c3ccccc3Br)C(=O)N(C1=O)C	0WG	7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione
+Cn1cc(c2c1ncnc2N)c3ccc4c(c3)CCN4C(=O)Cc5cccc(c5)C(F)(F)F	0WH	1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
+C1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O	0WK	1,5-anhydro-6-o-phosphono-d-glucitol
+C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)c5ncccn5	0WL	1-cyclopentyl-6-{(1r)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F	0WM	(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
+CN(C)CCCC(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F	0WN	n-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3s)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
+Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O	0WO	(2r,4s)-2-[(r)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid
+CC(C)(C#N)c1cccc(c1)C(=O)Nc2ccc(c(c2F)C(=O)Nc3cc4c([nH]nc4nc3)OC)F	0WP	3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-n-(3-methoxy-2h-pyrazolo[3,4-b]pyridin-5-yl)benzamide
+CC(C)(C1CCN(CC1)Cc2nc3c(n2C)nc(nc3N4CCOCC4)n5c6ccccc6nc5N(C)C)O	0WR	2-[1-({2-[2-(dimethylamino)-1h-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9h-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol
+c1c[nH]nc1c2cc(ccn2)C(=O)O	0WS	2-(1h-pyrazol-3-yl)pyridine-4-carboxylic acid
+CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Oc5cncnc5)Cl	0WT	(1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
+CC1=CC[C@@H](CC1=O)C(=C)C	0WU	(5s)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
+Cc1ccc(cc1O)C(=C)C	0WV	2-methyl-5-(prop-1-en-2-yl)phenol
+c1cc(sc1)CNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=CNC4=O	0WW	4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1c2c(c(c3c1nc([nH]3)NCCN4CCOCC4)CCNCC5CCCCC5)N=CNC2=O	0WX	4-{2-[(cyclohexylmethyl)amino]ethyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=C(NC4=O)N	0WY	6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1cnn(c1)c2cc(ccc2O)C[C@@H](C(=O)O)N	0WZ	3-(1h-pyrazol-1-yl)-l-tyrosine
+Cc1ccc(cc1)S(=O)(=O)[N@@](CC(=O)NC(C(C)C)C(C)C)c2ccc(c(c2)OC)OC	0X0	2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-n-(2,4-dimethylpentan-3-yl)ethanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cc(ccc3N4C2=NNC4=O)Oc5ccccc5)O	0X1	(5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate
+c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl	0X2	2,6-dichloro-n-(2-oxo-2,5-dihydropyridin-4-yl)benzamide
+c1cc(c(c2c1non2)[N+](=O)[O-])Nc3cc(cc(c3)Cl)F	0X3	n-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
+c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl	0X5	2,6-dichloro-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
+c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)C3CC3	0X6	2,6-dichloro-4-cyano-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
+Cc1ccccc1CNc2c(nccn2)C(=O)N	0X7	3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
+CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)OC/C=C/C(=O)O)C=CC(O4)(C)C)C	0X8	(~{e})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NS(=O)(=O)N	0X9	n~2~-sulfamoyl-l-arginine
+Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/CCCC2=O)[C@@H](CNC(C)(C)c3ncc(o3)C(C)(C)C)O	0XA	(4s,8e)-4-[(1r)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione
+c1cc(cc(c1)F)Nc2ccc3c(c2[N+](=O)[O-])non3	0XB	n-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
+[H]/N=C(\CCCCN)/C(=O)O	0XC	(2e)-6-amino-2-iminohexanoic acid
+[H]/N=C(\CCSC)/C(=O)O	0XD	(2e)-2-imino-4-(methylsulfanyl)butanoic acid
+c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2	0XE	5,6-dihydroxy-4-oxo-2-phenyl-4h-chromen-7-yl beta-d-glucopyranosiduronic acid
+Cc1ccc(nc1C)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N	0XF	6-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide
+CN(C)C(=O)c1ccc(cc1)Nc2ncc(c(n2)OC)c3cc(cs3)C(=O)O	0XG	5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid
+c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)[C@H]3C[C@H]3F)Cl	0XH	2,6-dichloro-n-[2-({[(1r,2r)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
+C/C(=C\COP(=O)(O)O)/c1ccccc1	0XI	(2e)-3-phenylbut-2-en-1-yl dihydrogen phosphate
+CCC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C	0XJ	(6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione
+CCC(CC)(C(=O)O)N	0XL	2-amino-2-ethylbutanoic acid
+c1ccc(cc1)C(c2ccccc2)N	0XM	1,1-diphenylmethanamine
+c1cc(ccc1C(c2ccc(cc2)F)N)F	0XN	1,1-bis(4-fluorophenyl)methanamine
+C[C@@](CCCCN)(C(=O)O)N	0XO	2-methyl-d-lysine
+c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)[C@H]3C[C@H]3F	0XP	2,6-dichloro-4-cyano-n-[2-({[(1r,2r)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
+C[C@@](CCCCCCN)(C(=O)O)N	0XQ	(2r)-2,8-diamino-2-methyloctanoic acid
+CCOC(=O)/C=C/c1ccc(c(c1)O)O	0XR	ethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
+c1c2cc(c(nc2nc(c1C(=O)N)N)C(F)(F)F)Br	0XS	2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
+Cc1c(nc2c(n1)c(nc(n2)N)N)OC	0XT	7-methoxy-6-methylpteridine-2,4-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](/C(=C\[C@H](CC[C@@H](C(=O)O)N)N)/O3)O)O)N	0XU	(2s,5s,6e)-2,5-diamino-6-[(3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3h)-ylidene]hexanoic acid
+Cc1cc(cc(c1O)C)C(=O)c2c(oc3c2cccc3)C	0XV	(4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanone
+C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C	0XW	(2s,4r)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate
+CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5	0XX	n-(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-n'-(4-{[(3s)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1O)(CO)F)O)O	0XY	5-fluoro-n-acetyl-alpha-d-glucosamine
+c1cc(ccc1[C@H](CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	0XZ	4-amino-n-[(1s)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC[C@@H](C(=O)O)N)O)O)N	0Y0	5'-{[(3s)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine
+c1ccc2c(c1)c(c[nH]2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	0Y1	5'-{[(3s)-3-amino-3-carboxypropyl][2-(1h-indol-3-yl)ethyl]amino}-5'-deoxyadenosine
+c1ccc2c(c1)c(cs2)CCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	0Y2	5'-{[(3s)-3-amino-3-carboxypropyl][2-(1-benzothiophen-3-yl)ethyl]amino}-5'-deoxyadenosine
+CC(C)ON([C@H](CCNC(=O)CCCNC(=O)c1cccc(c1)C(=O)NCCCC(=O)NCC[C@H](C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(cc2)c3ccccc3)C(=O)NO)S(=O)(=O)c4ccc(cc4)c5ccccc5	0Y3	n,n'-bis(4-{[(3r)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide
+Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)Nc4cn(cn4)C	0Y4	n-[5-({3-cyano-7-[(1-methyl-1h-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3)Oc4cccc(c4)C(F)(F)F)C(=O)O	0Y5	4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid
+CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	0Y7	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2s)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid
+c1cc(cc2c1ccnc2O[C@@H]3C[C@H](NC3)C(=O)O)Br	0Y8	(4r)-4-[(7-bromoisoquinolin-1-yl)oxy]-l-proline
+C=C[C@@H]1C[C@@]1(C(=O)O)N	0Y9	(1r,2s)-1-amino-2-ethenylcyclopropanecarboxylic acid
+C1CC1S(=O)(=O)N	0YA	cyclopropanesulfonamide
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)(C)C)c3ccc(c(c3)Oc4cccc(c4)Br)C(=O)O	0YB	2-(3-bromophenoxy)-4-{(1r)-3,3-dimethyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
+c1cc(cnc1)CN	0YC	1-(pyridin-3-yl)methanamine
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)O	0YD	3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoic acid
+c1ccc(cc1)c2cc(on2)CCC(=O)O	0YE	3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
+c1ccc(cc1)c2ccc(cc2)CCC(=O)O	0YF	3-(biphenyl-4-yl)propanoic acid
+c1cc(ccc1/C=C(/C(=O)NCC(=O)O)\N)O	0YG	n-[(2z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cc(n[nH]3)c4ccc(cc4C)OC	0YH	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1h-pyrazol-5-yl]urea
+c1ccc(c(c1)CNc2c(nccn2)C(=O)N)Cl	0YI	3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc4c3[nH]c(c4)C(=O)NC(C)C	0YJ	7-({[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]carbamoyl}amino)-n-(propan-2-yl)-1h-indole-2-carboxamide
+CC1=CN2CCS(=O)(=O)N=C2C(=N1)c3ccc(cc3)OC4CCCCC4	0YK	7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)O	0YL	(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoic acid
+Cc1c(csc1CCO)Cc2cnc(nc2N)C	0YN	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol
+COc1cnc(nc1c2cc3c([nH]2)CCNC3=O)c4cc5ccccc5nc4	0YO	2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+COc1ccccc1C(=C(C(=O)N2CCCCC2)NC(=O)c3ccc(cc3)[N+](=O)[O-])Br	0YP	n-[(1e)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)NCCNC(=O)CN(CC(=O)O)CC(=O)O)O)O	0YQ	2,2'-[(2-{[2-({[(2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name)
+C([C@H]([C@H]([C@H](C(=O)NO)O)O)O)O	0YR	(2r,3r,4r)-n,2,3,4,5-pentakis(oxidanyl)pentanamide
+c1c(cc(c(c1Cl)O)Cl)C(=O)N[C@@H](C[C@H]2CC[C@@](N2)([C@H]([C@H](C(=O)O)N)O)C(=O)O)C(=O)O	0YS	(5r)-2-[(1s,2r)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2s)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-l-proline
+CC(=O)NC1C(C(C(SC1O)CO)O)O	0YT	2-acetamido-2-deoxy-5-thio-beta-d-glucopyranose
+c1cc(ccc1c2[nH]ccn2)NC(=O)c3ccc(cc3[N+](=O)[O-])C(=O)Nc4ccc(cc4)C5=NCCN5	0YU	n~4~-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]-n~1~-[4-(1h-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide
+c1cc(cc(c1)C#Cc2cc(cc(c2)Br)CCN)C#Cc3cc(cc(c3)Br)CCN	0YV	2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine
+CCCCCCCCCCOc1cccc(c1)C(=O)Nc2ccc(cc2C(=O)O)[N+](=O)[O-]	0YW	2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid
+CCCCCCCCOc1cccc(c1)COc2ccc(cc2P(=O)(O)O)Br	0YX	(5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid
+CCCCCCCCOc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O	0YY	(2z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acid
+CCCCCCCCCCOc1cccc(c1)C(=O)/C=C(/C(=O)O)\O	0YZ	(2z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid
+	0Z0	n-(trifluoroacetyl)-l-phenylalanyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
+CC(C)c1ccc(cc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F	0Z1	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-prolinamide
+CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)C(F)(F)F)NC(=O)C(F)(F)F	0Z2	n-(trifluoroacetyl)-l-leucyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
+CC(C)c1ccc(cc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F	0Z3	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-phenylalaninamide
+CC(C)C[C@@H](C(=O)Nc1ccc(cc1)C(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F	0Z4	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(1-methylethyl)phenyl]-l-leucinamide
+c1ccc(cc1)C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N	0Z6	d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide
+CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O	0Z7	n-acetyl-d-phenylalanyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide
+CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)NO)NC(=O)OCc1ccccc1	0Z9	n-[(benzyloxy)carbonyl]-l-leucyl-n-hydroxy-l-alaninamide
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)ON4)Cl)C	0ZA	3-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2h)-one
+	0ZB	n-benzyl-n~2~-[(2r)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-l-alpha-asparagine
+	0ZC	(3r)-2-[n-(furan-2-ylcarbonyl)-l-leucyl]-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid
+CC(C)[C@H](C(=O)O)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)O)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5	0ZD	n,n'-bis(2-[(biphenyl-4ylsulfonyl)[(2r)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-amino]ethyl)benzene-1,3-dicarboxamide
+c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](c4nc5ccccc5s4)O)N	0ZE	[[[(4s,5s)-4-[[(3s,6s,8ar)-6-azanyl-5-oxo-6-(phenylmethyl)-1,2,3,7,8,8a-hexahydroindolizin-3-yl]carbonylamino]-5-(1,3-b enzothiazol-2-yl)-5-hydroxy-pentyl]amino]-azanyl-methylidene]azanium
+[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)\N	0ZG	3-[(2s)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
+	0ZI	amino{[(4s)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)C(CCl)O)NC(=O)CS	0ZJ	n-(sulfanylacetyl)-d-phenylalanyl-n-[(2s,3s)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-l-prolinamide
+CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O	0ZL	n-(ethoxycarbonyl)-l-leucyl-n-[(1r,2s,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-l-leucinamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O	0ZN	n-[(1r)-1-carboxy-3-phenylpropyl]-l-leucyl-l-tryptophan
+C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](CCl)O)NC(=O)CCC(=O)O	0ZO	n-(3-carboxypropanoyl)-l-alanyl-l-alanyl-n-[(2s,3s)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-l-prolinamide
+CC[C@H](C)CNC(=O)[C@H](CC(C)C)C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)O	0ZP	n-[(1r,2r,4r)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2r)-2-methylbutyl]carbamoyl}heptyl]-3-(1h-imidazol-3-ium-4-y l)-n~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-l-alaninamide
+CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N)Cc3ccccc3	0ZQ	n-{(3s)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O	0ZR	n-{(2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-glutaminyl-l-phenylalaninamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O	0ZS	n-{(2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O	0ZT	n-{(2s,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-alpha-glutamyl-l-phenylalaninamide
+B([C@H](CCCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(O)OCCCO	0ZW	n-(tert-butoxycarbonyl)-l-alanyl-n-{(1s)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-l-valinamide
+	0ZX	n-(tert-butoxycarbonyl)-l-alanyl-n-[(1s)-5-amino-1-(diethoxyboranyl)pentyl]-l-valinamide
+B([C@H](CCCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)(O)OC	0ZY	n-(tert-butoxycarbonyl)-l-alanyl-n-{(1r)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-l-valinamide
+CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)[C@@H](CSCc1ccccc1)O)NC(=O)Cc2cc(ccc2OC)Br	0ZZ	5-s-benzyl-3-({n-[(5-bromo-2-methoxyphenyl)acetyl]-l-valyl}amino)-2,3-dideoxy-5-thio-d-erythro-pentonic acid
+c1cc2c(cc1Cl)c(c[nH]2)C(=O)/C=C(/c3n[nH]nn3)\O	100	1-(5-chloroindol-3-yl)-3-hydroxy-3-(2h-tetrazol-5-yl)-propenone
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N	101	2'-deoxy-adenosine 3'-monophosphate
+c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N	102	gamma-deoxy-gamma-sulfo-guanosine-5'-triphosphate
+C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O	103	2',5'-dideoxy-adenosine 3'-monophosphate
+C(CNCCNCCN)N	104	n,n'-bis(2-aminoethyl)-1,2-ethanediamine
+B(CNC(=O)c1c(onc1c2ccccc2Cl)C)(O)O	105	n-[5-methyl-3-o-tolyl-isoxazole-4-carboxylic acid amide] boronic acid
+c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N	106	4-[(2z)-2-(5-bromo-2-oxo-1,2-dihydro-3h-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide
+c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)NCC3=C4c5c(ncs5)C=CC4=NC3=O	107	4-[(7-oxo-7h-thiazolo[5,4-e]indol-8-ylmethyl)-amino]-n-pyridin-2-yl-benzenesulfonamide
+C[C@@H](C(=O)O)NCc1cc(ccc1O)C(=N)N	108	2-(5-carbamimidoyl-2-hydroxy-benzylamino)-propionic acid
+C[C@@H](C(=O)O)NCc1ccc(cc1O)C(=N)N	109	2-(4-carbamimidoyl-2-hydroxy-benzylamino)-propionic acid
+CCCCCCCCCC[N+](C)(C)CCCCCCCCCC	10A	didecyl-dimethyl-ammonium
+CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)c2ccccc2	10B	n-2-(biphenyl-4-ylsulfonyl)-n-2-(isopropyloxy)-acetohydroxamic acid
+C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=NC3=O)N)O)COP(=O)(O)O	10C	4-amino-1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}pyrimidin-2(1h)-one
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CF	10D	(2e)-4-fluoro-3-methylbut-2-en-1-yl trihydrogen diphosphate
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CN	10E	(2e)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate
+c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CN[C@@H]3[C@@H](N2)[C@@H](N[C@@H](N3)N)O)C=O	10F	n-({4-[{[(2r,4s,4ar,6s,8as)-2-amino-4-hydroxydecahydropteridin-6-yl]methyl}(formyl)amino]phenyl}carbonyl)-d-glutamic acid
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CS	10G	(2e)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate
+C[C@@H]1CCCCN1S(=O)(=O)c2ccc(cc2)N3C=CCC3=O	10H	1-(4-{[(2r)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2h-pyrrol-2-one
+[H]/N=C(\NCCC)/NC(=O)Nc1c(cccc1CC)CC	10I	n-(2,6-diethylphenyl)-n'-(n-propylcarbamimidoyl)urea
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)C(=O)c3ccccc3)c4cc(cs4)c5cccc(c5)C#N	10J	3-{5-[(2e,4ar,7ar)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+c1cc(sc1)c2ccc(cc2)CC(=O)Nc3cc(n[nH]3)C4CC4	10K	n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide
+c1cc2cn[nH]c2c(c1)N	10L	1h-indazol-7-amine
+CCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	10M	decyl 4-o-alpha-d-glucopyranosyl-1-thio-beta-d-glucopyranoside
+CN(c1c(cccn1)CNc2c3cc([nH]c3ncc2C#N)c4ccccc4)S(=O)(=O)C	10N	n-(3-{[(5-cyano-2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-n-methylmethanesulfonamide
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3cccc(n3)OC)c4cc(cs4)c5cccc(c5)C#N	10O	3-{5-[(2e,4ar,7ar)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+C[n+]1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	10P	d-phenylalanyl-n-[(1-methylpyridinium-3-yl)methyl]-l-prolinamide
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)C#N)c4cc(cs4)c5cccc(c5)C#N	10Q	2-{(2e,4ar,7ar)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile
+[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@@H](CCO)O)CCCCC(CC)(CC)O	10R	1-(2-[(r)-2,4-dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane
+[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@H](CCO)O)CCCCC(CC)(CC)O	10S	1-(2-[(s)-2,4-dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane
+Cc1ccc(cc1)c2c(c(nc(c2C(=O)O)C)CC(C)C)CN	10T	5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid
+c1cc(ccc1CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCC3)C(=N)N	10U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)OC)c4cc(cs4)c5cccc(c5)C#N	10V	3-{5-[(2e,4ar,7ar)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ccccc3)c4ccc(s4)c5ccc(c(c5)C#N)F	10W	2-fluoro-5-{5-[(2e,4ar,7ar)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile
+CC/C=C\C[C@H]1[C@@H](O1)C/C=C\CCCCCCCC(=O)O	10X	(9z)-11-{(2s,3s)-3-[(2z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid
+CC/C=C\C[C@H]1[C@H](O1)C/C=C\CCCCCCCC(=O)O	10Y	(9z)-11-{(2r,3s)-3-[(2z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid
+COCCNCc1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4	10Z	n-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine
+CCCCOC(=O)[C@H]([C@H](C1CCC(CC1)N)NC(=O)c2ccc3n2C(=O)CN(C3)S(=O)(=O)Cc4ccccc4)O	110	3-(4-amino-cyclohexyl)-2-hydroxy-3-[(4-oxo-2-phenylmethanesulfonyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carbonyl)-amino]-propionic acid butyl ester
+CCCCOc1ccc(cc1)S(=O)(=O)[N@@]2C[C@H](C[C@@H]2C(=O)NO)NS(=O)(=O)C	111	(1n)-4-n-butoxyphenylsulfonyl-(2r)-n-hydroxycarboxamido-(4s)-methanesulfonylamino-pyrrolidine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)SCC(=O)N)O)O)N	112	thiophosphoric acid o-((adenosyl-phospho)phospho)-s-acetamidyl-diester
+C[C@H]1CC2=C([C@@H](O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2	113	7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1h,3h-pyrano[4,3-b]chromene-9-carboxylic acid
+CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O	114	(3r,5r)-3,5-dihydroxy-7-[(1s,2s,8s,8ar)-2-methyl-8-{[(2s)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h eptanoic acid
+CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)O)O)O)c3ccc(cc3)F	115	(3r,5s,6e)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1h-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
+CC(C)c1c(c(c(c(n1)C(C)C)COC)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O	116	7-[4-(4-fluoro-phenyl)-5-hydroxymethyl-2,6-diisopropyl-pyridin-3-yl]-3,5-dihydroxy-heptanoic acid
+CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4	117	7-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]- 3,5-dihydroxy-heptanoic acid
+c1ccc(cc1)[Sb+](c2ccccc2)(c3ccccc3)c4ccccc4	118	tetraphenylantimonium ion
+c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4	119	tetraphenylphosphonium ion
+CCCCCCCCCCC(=O)O	11A	undecanoic acid
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](CCCCC)NC(=O)OCc2ccccc2)O	11B	(5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-3-oxo-5-pentyl-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+C(C[C@H](C(=O)O)N)CC(=O)O	11C	(2r)-2-aminohexanedioic acid
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O	11D	11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid
+c1cc2c(cc1C(=O)NCC(=O)O)sc(n2)N	11E	n-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine
+Cc1c(c(nc(n1)N)N)C#C[C@@H](C)c2ccc(c(c2)OC)c3ccccc3	11F	5-[(3s)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+CC[C@@H]1C(=O)N(c2cncnc2N1C3CCCC3)C	11G	(7r)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5h)-one
+c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O	11H	9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid
+Cc1ccccc1CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O	11I	methyl (z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3I	11J	n-biphenyl-3-yl-2-iodobenzamide
+c1cc(ccc1CC(=O)Nc2cc([nH]n2)C3CC3)OCCN4CCCC4	11K	n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
+CSc1c2ccccc2c(s1)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN	11M	1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine
+c1ccc(cc1)C=CC(=O)N2CCC3(CC2)COc4c3cc(cc4)CN	11N	1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine
+CCCCC[C@@H]1[C@H](O1)[C@H](\C=C/CCCCCCCC(=O)O)O	11O	(trans-12,13-epoxy)-11-hydroxy-9(z)-octadecenoic acid
+c1cncc2c1CC[C@H]2C(O)(P(=O)(O)O)P(=O)(O)O	11P	[(7r)-6,7-dihydro-5h-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)
+C1CCC(CC1)CN2CCC[C@H]2C(=O)O	11Q	1-(cyclohexylmethyl)-l-proline
+CN(C)c1cccc(c1)OCCCCCCCCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24	11R	ruthenium wire, 11 carbon linker
+c1cc2c(cc[nH]2)cc1Cl	11S	5-chloro-1h-indole
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCC3)\N	11U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide
+c1ccc(cc1)[C@H](Cn2c3c(cn2)c(nc(n3)SCCN4CCOCC4)Nc5ccccc5)Cl	11V	1-[(2r)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-n-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C[C@H](C[C@@H](C(=O)O)N)C(=O)O	11W	(4r)-4-[(2e)-3-{4-[(e)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-l-glutamic acid
+c1ccc(cc1)NCc2cccnc2	11X	n-(pyridin-3-ylmethyl)aniline
+c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3cc(cs3)Br)c4ccc(c(c4)C(=O)O)Cl)O	11Y	5-[(2r)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-chlorobenzoic acid
+C1CCC(CC1)CCCCCCCCCCC(=O)O	11Z	11-cyclohexylundecanoic acid
+c1cc2c(cc1C(=[NH2+])N)nc([nH]2)C3=CC=CNC3=O	120	2-(2-oxo-1,2-dihydro-pyridin-3-yl)-1h-benzoimidazole-5-carboxamidine
+c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O	121	2-(3-hydroxy-pyridin-2-yl)-1h-benzoimidazole-5-carboxamidine
+c1ccc(c(c1)c2[nH]c3cc(ccc3n2)C(=[NH2+])N)O	122	2-(2-hydroxy-phenyl)-3h-benzoimidazole-5-carboxamidine
+COc1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O	123	2-(2-hydroxy-5-methoxy-phenyl)-1h-benzoimidazole-5-carboxamidine
+c1ccc(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)O	124	2-(2-hydroxy-phenyl)-1h-indole-5-carboxamidine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCF	125	2'-o-fluoroethyl-5-methyl-uridine-5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCOCCOC	126	2'-o-methyl-[tri(oxyethyl)]-5-methyl-uridine-5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON	127	2'-o-aminooxy-ethyl-5-methyl-uridine-5'-monophosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N	128	spiro(2,4,6-trinitrobenzene[1,2a]-2o',3o'-methylene-adenine-triphosphate
+C(CP(=O)(O)O)N(C=O)O	129	[2(formyl-hydroxy-amino)-ethyl]-phosphonic acid
+C[C@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O	12A	2-methylthio-n6-(aminocarbonyl-l-threonyl)-adenosine-5'-monophosphate
+c1cc2cccc3c2c(c1)C(=O)N3	12B	benzo[cd]indol-2(1h)-one
+c1ccc2c(c1)[nH]c(n2)C3=C(c4cc(ccc4NC3=O)Cl)N[C@@H]5CN6CCC5CC6	12C	4-[(3s)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1h-benzimidazol-2-yl)-6-chloroquinolin-2(1h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[C@@]5(O4)[C@@H](C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N	12D	2',3'-o-[(1r,6r)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)
+c1cnccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	12E	n-{[(2e)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-d-glucopyranosylamine
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34[N@@]2[C@@H](C[C@@H]4c5cccc(c5OCc6ccccc6)F)O)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)O)O)O)O)O	12F	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(1r,3r,3as)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+c1ccc(c(c1)[C@H]2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4ccccc4Cl)Cl	12G	{4-[(2r)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid
+C(CCCCCC(=O)O)CCCCCO	12H	12-hydroxydodecanoic acid
+CN1CCN(CC1)c2c3ccccc3ncn2	12I	4-(4-methylpiperazin-1-yl)quinazoline
+CC(C)Oc1cccc(c1)NC(=O)c2ccccc2I	12J	2-iodo-n-[3-(1-methylethoxy)phenyl]benzamide
+CC1(CCCCC1)NC(=O)O	12K	(1-methylcyclohexyl)carbamic acid
+CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)O)C	12L	(1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
+CCc1ccccc1CO	12M	(2-ethylphenyl)methanol
+C1CC(C1)C[C@@H]([C@H](C(=O)O)O)N	12N	(2r,3s)-3-amino-4-cyclobutyl-2-hydroxybutanoic acid
+c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@H]5C(=O)O	12O	(1r,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	12P	dodecaethylene glycol
+CN1c2ccccc2C=CC1=O	12Q	1-methylquinolin-2(1h)-one
+c1ccc(cc1)NNc2c3cn[nH]c3ncn2	12R	4-(2-phenylhydrazinyl)-1h-pyrazolo[3,4-d]pyrimidine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN	12S	6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)
+c1cc(c(cc1C(=O)O)N)C(=O)O	12T	2-aminobenzene-1,4-dicarboxylic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCC3)\N	12U	n-cycloheptylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	12V	(2s,3r,4r,5s,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C1CCC(C1)OC(=O)O	12W	cyclopentyl hydrogen carbonate
+CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](NC4)C(=O)O	12X	(4r)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-proline
+CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](NC4)C(=O)O	12Y	(4r)-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-proline
+c1cc(cnc1)C(=O)c2c(nc(s2)NC3CCCCC3)N	12Z	[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
+[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3cccc(c3O)c4ccccc4)/N	130	2-(2-hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine
+c1ccc(cc1)c2cccc(c2O)c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N	132	6-chloro-2-(2-hydroxy-biphenyl-3-yl)-1h-indole-5-carboxamidine
+[H]/N=C(\c1cc2c(cc1F)[nH]c(n2)c3cccc(c3O)OCC(C)C)/N	133	6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1h-benzoimidazole-5-carboxamidine
+[H]/N=C(\c1cc2cc([nH]c2cc1F)c3cccc(c3O)O[C@H]4CCCC[C@@H]4C)/N	134	6-fluoro-2-[2-hydroxy-3-(2-methyl-cyclohexyloxy)-phenyl]-1h-indole-5-carboxamidine
+[H]/N=C(\c1ccc(cc1)NC(=O)c2ccccc2O)/N	135	n-(4-carbamimidoyl-phenyl)-2-hydroxy-benzamide
+[H]/N=C(\c1ccc(cc1Cl)NC(=O)c2cc(cc(c2O)I)C)/N	136	n-(4-carbamimidoyl-3-choro-phenyl)-2-hydroxy-3-iodo-5-methyl-benzamide
+c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	137	1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@](Cc2ccc3c(c2)c(nc(n3)N)O)(CNCC(=O)N[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)O	138	n-[5'-o-phosphono-ribofuranosyl]-2-[2-hydroxy-2-[4-[glutamic acid]-n-carbonylphenyl]-3-[2-amino-4-hydroxy-quinazolin-6-yl]-propanylamino]-acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=O)NC5=O)O)O)N	139	adenosine-5'-[trihydrogen diphosphate] p'-3'-ester with 2'-deoxyuridine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NS(=O)(=O)NC2=O	13A	7-(3,4-dihydroxy-5r-hydroxymethyltetrahydrofuran-2-yl)-2,2-dioxo-1,2r,3r,7-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-4s-one
+c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O	13C	(5e)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2h,12h)-dione
+C(CN)CN	13D	1,3-diaminopropane
+CSCC[C@@H](C(=O)O)NC[C@H](Cc1ccccc1)N	13E	n-[(2s)-2-amino-3-phenylpropyl]-l-methionine
+CN1Cc2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3	13F	3-methyl-2-oxo-n-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
+CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O	13H	(9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid
+CCO[C@H]([C@H]1CCC\C=C\CCNC(=O)c2c(cc(c(c2CC1=O)Cl)O)O)O	13I	(e)-ethyl 13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydrobenzo[c][1]azacyclotetradecine-10-carboxylate
+CCC(=O)N1CCC[C@@H](C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N	13J	3-{4-amino-1-[(3s)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide
+COc1ccc(cc1OC)Nc2cc(nc(n2)N3CCOCC3)c4cnc(nc4)N	13K	n~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(C)C)c(ncn3)N	13L	3-{4-amino-1-[(3r)-1-propanoylpiperidin-3-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-[4-(propan-2-yl)phenyl]benzamide
+CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)OC)C(=O)O	13M	(2s)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid
+c1ccc(cc1)CNC(=O)[C@@H]2CCC\C=C\CCNC(=O)c3c(cc(c(c3CC2=O)Cl)O)O	13N	(5e,10r)-n-benzyl-13-chloro-14,16-dihydroxy-1,11-dioxo-1,2,3,4,7,8,9,10,11,12-decahydro-2-benzazacyclotetradecine-10-carboxamide
+C(C(=O)COP(=O)(O)O)O	13P	1,3-dihydroxyacetonephosphate
+c1cc(cc(c1)Cl)[C@H]2C[C@@H](C(=O)N([C@@H]2c3ccc(cc3)Cl)CC4CC4)CC(=O)O	13Q	[(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid
+CCCCC[C@H](\C=C\C=C/CCCCCCCC(=O)O)OO	13R	13(r)-hydroperoxy-9(z),11(e)-octadecadienoic acid
+CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)OO	13S	13(s)-hydroperoxy-9(z),11(e)-octadecadienoic acid
+C\C=C/[C@H](C)[C@@H]1[C@@](O1)(C)[C@H]([C@H]2COC(=O)[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H](/C(=C/[C@@H](C(=O)CC[C@H](C2=O)C)C)/C)O)C)C)OC)O)O	13T	13-deoxytedanolide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCCC3)\N	13U	n-cyclooctylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3c(cnc(n3)N)OCCOC)O	13V	4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1h-indol-5-yl}-2-methylbut-3-yn-2-ol
+[H]/N=C/1\N[C@](CC(=O)N1C)(C)c2cc(cs2)c3cccc(c3)C#N	13W	3-{5-[(2e,4s)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile
+c1c(cc(cc1O)O)O	13X	benzene-1,3,5-triol
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3)Oc4cccc(c4)Cl)C(=O)O	13Y	2-(3-chlorophenoxy)-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
+CC(C)(C)c1nnc(o1)[C@@H]([C@@H]2C[C@@H](CN2C(=O)CNC(C)(C)CO)F)O	13Z	2-[(2-{(2s,4s)-2-[(r)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol
+CCCCCCCCCCCCCCCC(=O)NCC(=O)O	140	n-palmitoylglycine
+C1=C2C(=NC(=O)NC2=O)NN1	141	oxypurinol
+C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN	142	carbidopa
+C1=C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	143	s-2,3-dihydro-5-glycin-2-yl-isoxazol-3-yl-cysteine
+C[N+](CO)(CO)CO	144	tris-hydroxymethyl-methyl-ammonium
+c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	145	2-nitrophenyl beta-d-galactopyranoside
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4[nH]c5ccccc5n4)Cc6cccc(c6)C(=O)Nc7[nH]c8ccccc8n7)Cc9ccccc9)O)O	146	[4r-(4alpha,5alpha,6alpha,7alpha)]-3,3'-{{tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]bis(methylene)]bis[n-1h-benzimidazol-2-ylbenzamide]
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	147	4-nitrophenyl beta-d-galactopyranoside
+C(CO)N(CCO)C(CO)(CO)CO	148	2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
+C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O	149	d-galactonolactone
+C=CCN(C1CCCC1)C(=O)c2cc(cc(c2)Cl)OCCCONC(=N)N	14A	n-allyl-5-amidinoaminooxy-propyloxy-3-chloro-n-cyclopentylbenzamide
+Cc1cc(c(c(c1)C(=O)O)N)C	14B	2-amino-3,5-dimethylbenzoic acid
+Cc1cccc2c1C(=O)N(C2=O)c3ccnc(c3)Cl	14C	2-(2-chloropyridin-4-yl)-4-methyl-1h-isoindole-1,3(2h)-dione
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3cccc(c3)Oc4cccc(c4)C(F)(F)F	14D	5-methyl-1-[(3s)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)O	14E	(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoic acid
+COc1cc(c(cc1OC)N)C(=O)O	14F	2-amino-4,5-dimethoxybenzoic acid
+CCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO	14H	n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
+c1cc2c(cc(o2)C(=O)O)c3c1ccc4c3cc(o4)C(=O)O	14I	naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid
+c1cc(oc1C(=O)O)Br	14J	5-bromofuran-2-carboxylic acid
+Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)OC)F)[C@@H](C)N4CCN(CC4)S(=O)(=O)C	14K	4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1r)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
+c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@@H]([C@H]([C@H](C6)O)O)O	14L	(11s,12s,13s)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol
+CCCSc1c(ccc(n1)N2CCC[C@H](C2)CC(=O)O)C(=O)NC3CCCCC3	14M	{(3s)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid
+CN1CCN(CC1)c2ccc(cc2)C(=O)O	14N	4-(4-methylpiperazin-1-yl)benzoic acid
+c1cc2c(cc[nH]2)cc1F	14O	5-fluoro-1h-indole
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc4c(c3)OCO4	14Q	5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine
+CCc1nc2c(n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C(=O)N(C=C2)Cc7ccccc7	14R	5-benzyl-2-ethyl-3-{(1s)-5-[2-(1h-tetrazol-5-yl)phenyl]-2,3-dihydro-1h-inden-1-yl}-3,5-dihydro-4h-imidazo[4,5-c]pyridin-4-one
+COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O	14S	4-(cyclopentylamino)-2-[(2-methoxybenzyl)amino]-n-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
+c1cc(c(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C(F)F)F)F	14T	3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-d-glucopyranoside
+CCCCCCCCCCCCCCCC(=O)C(C)C(=O)O	14U	(2s)-2-methyl-3-oxooctadecanoic acid
+CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O	14V	3,5-dioxoicosanoic acid
+[H]/N=C(/C)\NCc1cccc(c1)CN	14W	n-(3-(aminomethyl)benzyl)acetamidine
+CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3	14X	3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1h)-one
+CCCCCCCC\C=C\CCCCCCCC(=O)OC	14Y	methyl(e)-octadec-9-enoate
+CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)N2)C	14Z	n-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
+Cc1cc(c(cc1C)N)N	150	4,5-dimethyl-1,2-phenylenediamine
+CC(C)[C@@H]([C@H]1[C@@H](CCN1C(=O)c2coc(n2)CN3CCCC3)NS(=O)(=O)C)C(=O)O	151	(2s)-3-methyl-2-((2r,3s)-3-[(methylsulfonyl)amino]-1-{[2-(pyrrolidin-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}pyrrolidin-2-yl)butanoic acid
+C[N+](C)(C)C[C@@H](CC(=O)O)O	152	carnitine
+c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(cc3Cl)Cl	153	(2s)-2-[(2,4-dichloro-benzoyl)-(3-trifluoromethyl-benzyl)-amino]-3-phenyl-propionic acid
+c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2ccc(s2)c3cc4ccccc4o3)C(=O)c5ccc(cc5Cl)Cl	154	(2s)-2-[(5-benzofuran-2-yl-thiophen-2-ylmethyl)-(2,4-dichloro-benzoyl)-amino]-3-phenyl-propionic acid
+CC(C)C1=NCCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N	155	6-[(z)-amino(imino)methyl]-n-(1-isopropyl-3,4-dihydroisoquinolin-7-yl)-2-naphthamide
+CC1(CCC(c2c1ccc(c2)C(=O)\C=C\c3ccc(cc3)C(=O)O)(C)C)C	156	4-[3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid
+C1C[C@@H]([C@H](C1)O)[C@@H](CCCCC(=N)N)C=O	157	6-(2-hydroxy-cyclopentyl)-7-oxo-heptanamidine
+CC(=O)[C@H](CC(=O)O)NC(=O)CS	158	3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid
+c1cc(c(cc1S(=O)(=O)NCCS)C(=O)O)O	159	2-hydroxy-5-(2-mercapto-ethylsulfamoyl)-benzoic acid
+C(C/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)N	15A	(2z,3r,4s,5r,6r)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol
+c1c(cc(cc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN	15B	n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamide
+Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=O)C	15C	2-(4-acetylphenyl)-4-methyl-1h-isoindole-1,3(2h)-dione
+CN1Cc2cc(ccc2NC1=O)Br	15E	6-bromo-3-methyl-3,4-dihydroquinazolin-2(1h)-one
+[H]/N=C(/C(Cl)(Cl)Cl)\OCc1cc[n+](cc1)Cc2ccccc2	15F	1-benzyl-4-({[(1e)-2,2,2-trichloroethanimidoyl]oxy}methyl)pyridinium
+COc1cnc(cc1c2cc3c([nH]2)CCNC3=O)COc4ccc(c(c4)F)F	15G	2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+C[C@@H](C1CCN(CC1)c2c(nccn2)Oc3ccc(cc3)Nc4nc5ccccc5s4)O	15H	(1s)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol
+c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3	15I	6-(2,9-diazaspiro[5.5]undecan-9-yl)-9h-purine
+c1ccc2c(c1)[nH]c(n2)Nc3ccc(cc3)Oc4cccnc4N5CCC(CC5)CO	15J	(1-{3-[4-(1h-benzimidazol-2-ylamino)phenoxy]pyridin-2-yl}piperidin-4-yl)methanol
+[C@@H]1([C@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O	15L	d-galactaro-1,5-lactone
+CCNC(=O)CCC\C=C/C[C@H]1[C@H](C[C@H]([C@@H]1\C=C\[C@H](CCc2ccccc2)O)O)O	15M	(5z)-7-{(1r,2r,3r,5s)-3,5-dihydroxy-2-[(1e,3s)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl}-n-ethylhept-5-enamide
+c1ccc2c(c1)OC[C@@H](O2)C(=O)O	15N	(2r)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
+c1ccc2c(c1)cccc2Cl	15O	1-chloronaphthalene
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	15P	polyethylene glycol (n=34)
+c1cc(c(cc1c2ccc(c(c2Cl)/C=N/O)O)F)O	15Q	2-chloro-3'-fluoro-3-[(e)-(hydroxyimino)methyl]biphenyl-4,4'-diol
+c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCC(CC4)C(=O)N5CCc6cccc7c6[C@@H]5CNC7=O)F	15R	(9ar)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7h-benzo[de][1,7]naphthyridin-7-one
+C[C@@H](C(=O)N1CCC(=CC1)c2ccc(cc2)F)NC(=O)CN3CCc4cccc5c4[C@@H]3CNC5=O	15S	n-{(2s)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2h)-yl]-1-oxopropan-2-yl}-2-[(9ar)-7-oxo-2,3,7,8,9,9a-hexahydro-1h-benzo[de][1,7]naphthyridin-1-yl]acetamide
+C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CCC#N)cc[nH]3)O	15T	3-(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)propanenitrile
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CC[C@H](C[C@@H]1C(=O)O)C)NS(=O)(=O)c2cccc3c2NC[C@H](C3)C	15U	(2r,4r)-4-methyl-1-(n~2~-{[(3s)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-l-arginyl)piperidine-2-carboxylic acid
+Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4	15V	n-[1-(3-chlorophenyl)-3-methyl-1h-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+COc1ccc(cc1)C2=CC(=O)c3ccc(cc3O2)O	15W	7-hydroxy-2-(4-methoxyphenyl)-4h-chromen-4-one
+COc1ccc(c(c1c2cccc(c2)N(=O)=O)F)Cc3ccc(cc3)NC(=O)N	15X	1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea
+C[C@H]1Cc2cccc(c2NC1)S(=O)(=O)O	15Y	(3s)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonic acid
+c1cc(c(cc1C2=CC(=O)c3ccc(cc3O2)O)O)O	15Z	2-(3,4-dihydroxyphenyl)-7-hydroxy-4h-chromen-4-one
+CC(=O)[C@H](CC(=O)O)NS(=O)(=O)c1cccc(c1)CSSCCNC(=O)c2ccc(s2)S(=O)(=O)C	160	3-(3-{2-[(5-methanesulfonyl-thiophene-2-carbonyl)-amino]-ethyldisulfanylmethyl}- benzenesulfonylamino)-4-oxo-pentanoic acid
+CC(=O)[C@H](CC(=O)O)NC(=O)c1ccc(cc1)CNS(=O)(=O)c2ccc(c(c2)C(=O)O)O	161	5-[4-(1-carboxymethyl-2-oxo-propylcarbamoyl)-benzylsulfamoyl]-2-hydroxy-benzoic acid
+Cn1cc(cc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O	162	(2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-3-ylmethyl)-carbamoyl]-pyrrol-1-yl} -1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid
+Cn1c(ccc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O	163	(2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-2-ylmethyl)-carbamoyl]-pyrrol-1-yl}- 1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid
+C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)O)C(=O)O)O	164	2-(3-carboxypropionyl)-6-hydroxy-cyclohexa-2,4-diene carboxylic acid
+c1ccc(cc1)CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)Nc4ccc5c(c4)sc(n5)N	165	n-(benzylsulfonyl)-3-cyclohexylalanyl-n-(2-amino-1,3-benzothiazol-6-yl)prolinamide
+c1cc(ccc1c2ccc3c(c2)[C@@H]([C@H](C3)O)[C@@H](CCCCC(=N)N)C(=O)O)O	166	6-carbamimidoyl-2-[2-hydroxy-6-(4-hydroxy-phenyl)-indan-1-yl]-hexanoic acid
+COc1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O	167	6-carbamimidoyl-2-[2-hydroxy-5-(3-methoxy-phenyl)-indan-1-yl]-hexanoic acid
+CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COC(=O)C(C)(C)C)O	168	pantothenyl-aminoethanol-acetate pivalic acid
+CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N[C@@H]([C@@H](CCCNC(=N)N)C=O)C(=O)O	169	1-(4-tert-butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid
+CCCCCCCCCCCCCCCC[N+](C)(C)C	16A	cetyl-trimethyl-ammonium
+C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	16B	n-hydroxycytidine 5'-(dihydrogen phosphate)
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O	16C	n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)palmitamide
+C(CCCN)CCN	16D	hexane-1,6-diamine
+C(CCCCCCCC(=O)O)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	16E	n-(16-carboxyhexadecanoyl)-l-glutamic acid
+c1cc(cc(c1)O)/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	16F	n-({(2z)-2-[(3-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O	16G	2-acetamido-2-deoxy-6-o-phosphono-alpha-d-glucopyranose
+CCCCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO	16H	n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)NC(=O)c4cccs4	16I	n-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide
+c1cc(ccc1N2CCN(CC2)C(=O)N3CCOCC3)Cl	16J	[4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-]	16K	4-(2,4-dimethyl-1,3-thiazol-5-yl)-n-(3-nitrophenyl)pyrimidin-2-amine
+Cc1cc(cc(c1O)C)/C=C/c2cccc(c2)NC(=O)C=C	16L	n-{3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide
+CCSc1ccccc1	16M	(ethylsulfanyl)benzene
+c1ccc2c(c1)CCC2	16N	2,3-dihydro-1h-indene
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br	16O	n-({(2e)-2-[(4-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+CCOCCOCCOCCOCCOCCOCC	16P	3,6,9,12,15,18-hexaoxaicosane
+CCOc1ccccc1	16Q	ethoxybenzene
+CSc1ccccc1	16R	(methylsulfanyl)benzene
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(c(c3)O)O	16S	2-(3,4-dihydroxyphenyl)-4h-chromen-4-one
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)S(=O)(=O)c3ccc(c(c3)Oc4cccc(c4)Cl)O	16T	1-[(3s)-1-{[3-(3-chlorophenoxy)-4-hydroxyphenyl]sulfonyl}piperidin-3-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl	16U	n-(3-chlorobenzyl)-1-(4-methylpentanoyl)-l-prolinamide
+Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O	16V	3-[3-(3,5-dimethyl-1h-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid
+c1cc(cc(c1)Cl)OCc2c3c(ncnc3n(n2)C4CCOCC4)N	16W	3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)n4oo4	16X	4-(2-amino-4-methyl-1,3-thiazol-5-yl)-n-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine
+C(CCCCCCCC(=O)O)CCCCCCCO	16Y	16-hydroxyhexadecanoic acid
+C[C@H]1[C@H]([C@H]([C@@H](N1C)c2ccc(cc2)OC)O)O	16Z	(2s,3s,4r,5s)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol
+c1cc[n+](c(c1)C(CNC2=NC=C(N(C2=O)CC(=O)NCc3cc(ccc3n4cnnn4)Cl)Cl)(F)F)[O-]	170	(2-[6-chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-2-oxopyrazin-1(2h)-yl]-n-[5-chloro-2-(1h-tetrazol-1-yl)benzyl]acetamide
+c1ccc(cc1)NCCS(=O)(=O)O	171	2-phenylamino-ethanesulfonic acid
+c1cc2c(cc1O)nc([nH]2)N	172	2-amino-5-hydroxy-benzimidazole
+c1ccc(cc1)C(=O)C(=O)O	173	benzoyl-formic acid
+c1cc(ccc1C(=O)O)Cl	174	4-chloro-benzoic acid
+C[C@@H](C1NC(C(=O)N1CC(=O)O)CN)N	175	3,5-dihydro-5-methylidene-4h-imidazol-4-on
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4Cl)Cl)N	176	1-(2-amino-3,3-diphenyl-propionyl)-pyrrolidine-3-carboxylic acid 2,5-dichloro-benzylamide
+CCNC(=O)COc1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C3CCCCC3)N)Cl	177	1-[2-amino-2-cyclohexyl-acetyl]-pyrrolidine-3-carboxylic acid 5-chloro-2-(2-ethylcarbamoyl-ethoxy)-benzylamide
+CC(C)c1cc(ccc1O)Sc2ccc(c(c2)C(C)C)O	178	4-(4-hydroxy-3-isopropylphenylthio)-2-isopropylphenol
+c1ccc2cc(ccc2c1)NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	179	n-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-d-glucopyranosylamine
+CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O	17A	(2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-{(1r)-1-[(biphenyl-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid
+C(CC/N=C\1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)CN	17B	(2z,3r,4s,5r,6r)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol
+c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O	17C	2,2'-iminodibenzoic acid
+c1ccc(cc1)Cc2ccccc2C(=O)O	17D	2-benzylbenzoic acid
+CC1=CNC(=O)N=C1N	17E	5-methylcytosine
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC	17F	o-[(s)-({(2r)-2,3-bis[(9z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-l-serine
+c1cc(cc(c1)N2c3c4cc(ccc4ncc3C=CC2=O)c5ccc(nc5)N)C(F)(F)F	17G	9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1h)-one
+CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O	17H	17-hydroxy-18a-homo-19-nor-17alpha-pregna-4,9,11-trien-3-one
+[H]/N=C(\NC)/NC(=O)Nc1c(cccc1CC)CC	17I	n-(2,6-diethylphenyl)-n'-(n-methylcarbamimidoyl)urea
+c1ccc(cc1)c2nc(sn2)N3CCN(CC3)C(=O)Nc4cccnc4	17J	4-(3-phenyl-1,2,4-thiadiazol-5-yl)-n-(pyridin-3-yl)piperazine-1-carboxamide
+C[C@](COC(=O)Cc1ccccc1)([C@H](C(=O)O)Nc2c(cc3n2cccc3)C=O)S(=O)O	17K	(3r)-n-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-d-valine
+CCOc1cc2ccccc2c(c1)CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC	17L	(9as)-8-acetyl-n-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
+C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@]2(C)O)O	17M	17-methyl-17-alpha-dihydroequilenin
+COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)C(=O)O	17N	8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid
+c1c2n(nc1C3C(=CNC(=CS3)C(=O)O)C=O)CSC2	17O	(7r)-6-formyl-7-(4h-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid
+Cn1cc(cn1)c2ccc3c(c2)[nH]c4c3c(ncc4C(=O)N)NC5CCCCC5	17P	1-(cyclohexylamino)-7-(1-methyl-1h-pyrazol-4-yl)-5h-pyrido[4,3-b]indole-4-carboxamide
+CN(C)CCCCCOC1CCCCCCCCCCC1	17Q	1.7.6 5-cyclododecyloxy-n,n-dimethyl-pentan-1-amine
+C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2cccc(c2)n3cncn3)c4ccc(cc4C(F)(F)F)F	17R	(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1h-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine
+COc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	17S	n-({(2e)-2-[(4-methoxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl	17T	n-({(2e)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+CC(C)C[C@@H]([C@H](C(=C)C)O)N	17U	(3s,4s)-4-amino-2,6-dimethylhept-1-en-3-ol
+CC(C)n1c(ncn1)c2cc3c(s2)-c4ccc(cc4OCC3)C(=O)N	17V	2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide
+c1ccc(cc1)OCCSc2[nH]c3ccccc3n2	17W	2-[(2-phenoxyethyl)sulfanyl]-1h-benzimidazole
+c1ccc(cc1)Cn2c3ccccc3nc2N4CCC(CC4)C(=O)OC[C@H](C5CCNCC5)n6c7ccccc7nc6c8ccccc8	17X	(2s)-2-(2-phenyl-1h-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1h-benzimidazol-2-yl)piperidine-4-carboxylate
+C1C[C@H]([C@H](C1)O)O	17Y	(1r,2s)-cyclopentane-1,2-diol
+Cc1cc(c2ccccc2c1O)O	17Z	2-methylnaphthalene-1,4-diol
+c1cc(cnc1)S(=O)(=O)N[C@H](CNC(=O)c2cc3cc(sc3s2)CCC4CCNCC4)C(=O)O	180	2-(s)-[n-(3-pyridylsulfonyl)amino]-3-[[2-carbonyl-5-[2-(piperidin-4-yl)ethyl]-thieno[2,3-b]thiopheneyl]amino]-propionic acid
+c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO	181	1-((2-hydroxyethoxy)methyl)-5-(phenylthio)pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO	182	1-((2-hydroxyethoxy)methyl)-5-(phenylselanyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO	183	1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)pyrimidine-2,4(1h,3h)-dione
+CC1(CCC(c2c1ccc(c2)[C@H](c3ccc4cc(ccc4c3)C(=O)O)O)(C)C)C	184	6-[hydroxy-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic acid
+Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)CO)Br)C)C#N	185	(6-[4-(aminomethyl)-2,6-dimethylphenoxy]-2-{[4-(aminomethyl)phenyl]amino}-5-bromopyrimidin-4-yl)methanol
+C[C@@H](\C=C\C(=O)C=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2	186	[1-(1-methyl-4,5-dioxo-pent-2-enylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
+c1ccc2c(c1)ncn2c3ccc(c(c3)F)NC(=O)c4cc(nn4c5cccc(c5)C(=N)N)C(F)(F)F	187	1-{3-[amino(imino)methyl]phenyl}-n-[4-(1h-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
+C[N@@]12[C@H]3CS[C@@H]1[C@H]4CSC5=[N]4[Fe]2(Oc6c5cccc6)OC3=O	188	pyochelin fe(iii)
+Cc1cccc(c1OCC(=O)N(Cc2ccccc2)C[C@H]3CNC[C@@H]3C[N@@](CC(C)C)S(=O)(=O)c4ccccc4)C	189	n-benzyl-2-(2,6-dimethylphenoxy)-n-[((3r,4s)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide
+CCC(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C	18A	n-{4-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide
+CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C	18B	3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](\C=C\CCCCCCCCCCCCC)O	18C	n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)stearamide
+CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	18D	3,5-dideoxy-5-(propanoylamino)-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+Cc1cnc(c2c1[nH]c3c2ccc4c3ccc(c4)O)Cl	18E	7-chloro-10-methyl-11h-benzo[g]pyrido[4,3-b]indol-3-ol
+c1ccc(cc1)Cn2c3ccccc3nc2c4ccccc4	18F	1-benzyl-2-phenyl-1h-benzimidazole
+Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(c(cc2OC)c3ccccc3)OC	18G	5-[3-(2,5-dimethoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2ccc(cc2OC)c3ccccc3	18H	5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F	18I	3,3'-difluoro-n-[(2s)-3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide
+CCS(=O)(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C	18J	n-{4-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide
+Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N(C)C	18K	n'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n,n-dimethylbenzene-1,4-diamine
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	18L	(2r)-2-hydroxy-3-(phosphonooxy)propyl (9z,12z)-octadeca-9,12-dienoate
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)COP(=O)(O)O)OP(=O)(O)O	18M	2'-o-methylguanosine 3',5'-bis(dihydrogen phosphate)
+c1cc2cccc3c2c(c1)C(=O)NC3=O	18N	1h-benzo[de]isoquinoline-1,3(2h)-dione
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]	18O	n-({(2e)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+C[C@]1(C(=O)N(CC(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)Cl	18P	n-{3-[(2r)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide
+c1cc(sc1)CNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	18Q	2'-deoxy-5-[(thiophen-2-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
+CC(C)(C)c1cccc(c1)NC(=O)c2cccc(c2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N	18R	3-{1-[(3r)-1-acryloylpiperidin-3-yl]-4-amino-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-n-(3-tert-butylphenyl)benzamide
+Cc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	18S	n-({(2e)-2-[(4-methylphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O	18T	[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl (2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+c1cc(ccc1CNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O	18U	3-[(4-carboxybenzyl)sulfamoyl]thiophene-2-carboxylic acid
+CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N	18V	2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
+Cc1c(c(c([nH]1)/C=C\2/C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	18W	3-[(5z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]propanoic acid
+COC(=O)/C(=C\1/N(C(=O)CS1)c2ccc(cc2F)c3ccccc3)/C#N	18X	methyl (2z)-cyano[3-(3-fluorobiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
+Cc1cc2c(c(c3c(c2OC)CCCC3=O)O)c4c1[C@H]5[C@H]6[C@@](O4)([C@]([C@@](O5)(O6)C(OC)OC)(C)O)O[C@H]7C[C@H]([C@]([C@@H](O7)C)(C(=O)C)O)O	18Y	trioxacarcin a analogue, bound form
+c1c(c(cc(c1[N+](=O)[O-])NCCN2CCNCC2)NCc3cnc(nc3)N)C(=O)N	18Z	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2cccc(c2)Br)[C@@H](C[C@H](CC(C)C)S(=O)(=O)c3ccc(cc3)F)O)C	190	n-{(1s)-1-(3-bromobenzyl)-4-[(4-bromophenyl)sulfonyl]-6-methyl-2-oxoheptyl}-2-(2,6-dimethylphenoxy)acetamide
+CCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]2cnc-3c([nH]cnc23)N)O)OP(=O)(O)O)O	191	propionyl coenzyme a
+C1CC(C1)(C(=O)O)N	192	1-aminocyclobutanecarboxlic acid
+C(CNC(=O)CCN)[C@@H](C(=O)O)N	193	(2s)-4-(beta-alanylamino)-2-aminobutanoic acid
+c1ccc(c(c1)NC(=O)c2cccc(c2)[N+](=O)[O-])Oc3ccc(c(c3)C(=O)O)C(=O)O	194	4-{2-[(3-nitrobenzoyl)amino]phenoxy}phthalic acid
+c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc(c(c2)NC(=O)c3cccc(c3)[N+](=O)[O-])Oc4ccc(c(c4)C(=O)O)C(=O)O	195	4-{2,4-bis[(3-nitrobenzoyl)amino]phenoxy}phthalic acid
+c1cc(cc2c1cc(cc2C#N)c3ccc(c(c3)F)O)O	196	3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile
+CC(=O)N[C@@H](Cc1ccc(c(c1)C=O)C(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	197	4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-formyl-benzoic acid
+C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O	198	r-bicalutamide
+CN1CCN(CC1)c2ccc(cc2)c3cc4c(c[nH]c4nc3)NC(=O)c5cccnc5	199	n-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}nicotinamide
+CN(C)C(=O)c1cc(c[nH]1)c2c(c[nH]n2)c3ccccc3	19A	n,n-dimethyl-4-(4-phenyl-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide
+Cc1ccc(cc1c2ccc3c(c2)onc3C4CCNCC4)C(=O)Nc5cccc(c5)N6CCOCC6	19B	4-methyl-n-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide
+c1cc(c(cc1CN2Cc3ccc(c(c3C2=O)O)O)Cl)F	19C	2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)F)O	19D	(1r,2r,3r,4r,5r,7r)-2-(acetylamino)-7-[(1r)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
+Cc1cnc(c2c1[nH]c3c2c4ccc(cc4cc3)O)Cl	19E	11-chloro-8-methyl-7h-benzo[e]pyrido[4,3-b]indol-3-ol
+Cc1c2n(c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC	19F	2-(3,4-dimethoxybenzyl)-7-[(2r,3r)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3h)-one
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O	19G	3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(cc3[nH]c2C(=O)O)Cl	19H	6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1h-indole-2-carboxylic acid
+c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)NCC(=O)NCC(=O)O	19J	2-[2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)[N+](=O)[O-])N(C)C	19K	n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n~1~,n~1~-dimethyl-2-nitrobenzene-1,4-diamine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)c3cnc4c(n3)NC(=NC4=O)N	19L	(2s)-2-[[(2s)-2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]-3-oxidanyl-propanoyl]amino]-3-(1h-indol-3-yl)propanoic acid
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)CNC(=O)c3cnc4c(n3)NC(=NC4=O)N	19M	(2s)-2-[[(2s)-2-[2-[(2-azanyl-4-oxidanylidene-1h-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
+[H]/N=C(\N)/NCCCC[C@H](N)P(=O)(O)O	19N	[(1r)-1-amino-5-carbamimidamidopentyl]phosphonic acid
+	19O	natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-octahydro-5,22:7,20:9,18:11,16-tetramethanononacen-8,19-bisphosphate
+Cc1ccc(cn1)c2ccc3c(n2)c4c(cn3)N(C(=O)N4C5CCN(CC5)C(=O)[C@H](C)O)C	19P	1-{1-[(2s)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2h-imidazo[4,5-c][1,5]naphthyridin-2-one
+C[C@@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	19Q	2-cyclopropyl-n-[(2s)-3-hydroxy-3-methylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+C[C@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	19R	2-cyclopropyl-n-[(2r)-3-hydroxy-3-methylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+C[C@H](C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4	19S	2-cyclopropyl-n-[(2r)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CCc1c(nc(nc1Nc2ccc(cc2)CC(=O)O)c3ccc(s3)Cl)C	19T	(4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid
+CC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N	19U	1-[(2r)-2-aminobutanoyl]-n-(3-chlorobenzyl)-l-prolinamide
+CC(C)(C)N1CCN(CC1)c2ccc(nc2)N3CCN(c4c3cccc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)C(=O)N	19V	4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-n-[(1r,2s,3s,5s,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2h)-carboxamide
+C(C[C@@H](C(=O)O)N)CON	19W	5-(aminooxy)-l-norvaline
+CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4ccc5c(c4)C(=O)N=C5)Cl	19X	6-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1h-isoindol-1-one
+CCc1c(c2c([nH]1)nc(nc2OC)Sc3cccnc3)C=O	19Y	6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
+c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])O	19Z	2-[(4-hydroxybenzyl)amino]-5-nitrobenzamide
+CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nccn5)nc4)Cl	1A0	(3r)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
+c1cc(cnc1)c2nc3c(nc(nc3s2)NC(=O)C4CC4)n5ccnc5	1A1	n-[7-(1h-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide
+CCN1c2c(ccc(c2C(=NC13CCN(CC3)C(=O)C4=CN=C(CC4)C#N)N)F)F	1A2	5-(4'-amino-1'-ethyl-5',8'-difluoro-1'h-spiro[piperidine-4,2'-quinazoline]-1-ylcarbonyl)picolinonitrile
+c1ccc(cc1)CS(=O)(=O)Nc2cccc(c2)C3=CSC(=O)N3	1A3	n-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide
+c1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3	1A4	n-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
+c1cc(ccc1C(=O)N)N2CCOC2=O	1A5	4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
+Cc1cc(on1)CSc2nnc3n2cccc3	1A6	3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine
+c1ccc(c(c1)C2=CSC(=O)N2)F	1A7	4-(2-fluorophenyl)-1,3-thiazol-2(3h)-one
+CCCC(=O)Nc1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3	1A8	n-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide
+c1cc(sc1)S(=O)(=O)Nc2cc(cc(c2)NC(=O)CCC3CCCCC3)C4=CSC(=O)N4	1A9	3-cyclohexyl-n-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide
+c1ccc(c(c1)C(=O)OCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N	1AA	5'-o-[({[(2-{[(2-aminophenyl)carbonyl]oxy}ethyl)oxy]phosphinato}oxy)phosphinato]cytidine
+C1[C@H]([C@@H]([C@H](N1)CO)O)O	1AB	1,4-dideoxy-1,4-imino-d-arabinitol
+C1CC1(C(=O)O)N	1AC	1-aminocyclopropanecarboxylic acid
+CC#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN	1AD	(1s)-2-[(2s,5r)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
+CCCC(=O)/C(=C/OP(=O)(O)O)/O	1AE	(1z)-2-hydroxy-3-oxohex-1-en-1-yl dihydrogen phosphate
+c1cc(ccc1c2cc(oc2)c3ccc(cc3)C(N)NC4CCCC4)C(N)NC5CCCC5	1AF	2,4-bis{[4-(n-cyclopentyldiaminomethyl)phenyl]}furan
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)O	1AG	(2s)-2,3-dihydroxypropyl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)Br)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	1AH	3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one
+Cc1ccccc1CNc2c(nccn2)C(=O)NCc3ccccc3C	1AI	~{n}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
+c1csc2c1CN(CC2)C(=O)n3ccnc3	1AJ	6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl(1h-imidazol-1-yl)methanone
+CS(=O)(=O)c1ccc(nc1)c2nnc(n2c3ccccc3Cl)/C=C/c4nnc(o4)c5ccc(cc5)C#N	1AK	4-{5-[(e)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4h-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile
+C(C(=O)[O-])(NC(=O)N)NC(=O)N	1AL	allantoate ion
+COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5	1AM	2-(6-methoxy-1-oxo-1,3-dihydro-2h-isoindol-2-yl)-n-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
+c1ccc(c(c1)N)F	1AN	2-fluoroaniline
+c1ccc2c(c1)cnn2c3nc(cs3)C(=O)Nc4ccccc4N5CCNCC5	1AO	2-(1h-indazol-1-yl)-n-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
+c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)N	1AP	2,6-diaminopurine nucleotide
+CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]3CCOc4c3cccc4)C(=O)[C@H](C5CCC(CC5)(F)F)NC(=O)[C@H](C)NC	1AQ	(3s,7r,8ar)-2-{(2s)-2-(4,4-difluorocyclohexyl)-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide
+C[C@H]1[C@@H]([C@@](C[C@H](O1)O)(C)O)OC(=O)C	1AR	4-o-acetyl-2,6-dideoxy-3-c-methyl-alpha-l-arabino-hexopyranose
+CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OC/C=C/C(=O)O)C=CC(O5)(C)C)C	1AS	(~{e})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O	1AT	beta-d-fructofuranosyl 6-o-decanoyl-alpha-d-glucopyranoside
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc4c3cccc4	1AU	1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-naphthalen-1-ylurea
+c1cc(cnc1)c2nc3c(nc(nc3s2)N)n4ccnc4	1AV	7-(1h-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccccc3	1AW	1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-phenylurea
+C([C@H](COC[C@@H](CO)O)O)O	1AX	(2r,2'r)-3,3'-oxydipropane-1,2-diol
+Cc1c(c(nc(n1)c2ccc(cn2)Cl)NC[C@@H](c3ccccc3)NCCCCc4ccccc4)Cl	1AY	(1r)-n~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-n~1~-(4-phenylbutyl)ethane-1,2-diamine
+Cn1c2c(nc1N3CCOCC3)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C	1AZ	1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1h-purine-2,6-dione
+Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c4ccccc4	1B0	n-methyl-nalpha-[(2-methyl-1h-indol-3-yl)acetyl]-n-phenyl-l-phenylalaninamide
+CC#Cc1cc(cnc1)c2cccc(c2)[C@@]3(N=C(C(=N3)N)C)C4CC4	1B1	(2r)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2h-imidazol-4-amine
+C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)c[nH]n3)N)O	1B2	n-{[3-(2h-indazol-5-yl)phenyl]sulfonyl}-l-threoninamide
+C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)nc(nc3N)Cl)N)O	1B3	n-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide
+CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3cc(c(c(c3)OC)OC)OC	1B4	n-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4ccc(cc4n(n3)C)Cl	1B5	2-(6-chloro-1-methyl-1h-indazol-3-yl)-n-(propan-2-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CC(C)(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4n(cn3)CCCC4	1B6	n-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CCCc1cscc1C[C@@H](C(=O)O)NC2=NC(Cc3c2ccc(c3)Cl)(C)C	1B7	n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-l-alanine
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3c(csc3Br)c4c[nH]nc4)C(=O)O)Cl)C	1B8	3-[2-bromo-4-(1h-pyrazol-4-yl)thiophen-3-yl]-n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-alanine
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3Br)C(=O)O)Cl)C	1B9	3-(4-bromothiophen-3-yl)-n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-alanine
+CC(C)c1ccc(cc1)CNNC(=O)c2ccc(cc2)O	1BA	4-hydroxy-n'-(4-isopropylbenzyl)benzohydrazide
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)C(=CN4)C#N)Cl)C	1BB	2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
+CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C3=NC(=O)CC=N3)/N=C\4/c5ccc(cc5CC(N4)(C)C)Cl	1BC	2-{(1s)-1-{[(1z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]amino}-2-[2-propyl-4-(1h-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5h)-one
+c1ccc(c(c1)\C=N\OCCC(=O)O)C(F)(F)F	1BD	3-[({(1e)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid
+CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C(=O)O)NC3=NC(Cc4c3ccc(c4)Cl)(C)C	1BE	n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1h-pyrazol-4-yl)thiophen-3-yl]-l-alanine
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3c4c[nH]nc4)C(=O)O)Cl)C	1BF	n-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1h-pyrazol-4-yl)thiophen-3-yl]-l-alanine
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCCc5c4cccc5)NC	1BG	(3s,8ar)-2-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
+C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)OCc3ccccc3)O	1BH	n-benzyloxycarbonyl-ala-pro-3-amino-4-phenyl-butan-2-ol
+c1ccc(cc1)S(=O)(=O)NC(=O)c2ccc3c(c2)n(c(c3C4CCCCC4)c5ccoc5)CC(=O)N6CCOCC6	1BI	3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-n-(phenylsulfonyl)-1h-indole-6-carboxamide
+c1ccc2c(c1)cnn2c3ccnc(n3)NC4CCC(CC4)O	1BJ	trans-4-{[4-(1h-indazol-1-yl)pyrimidin-2-yl]amino}cyclohexanol
+CS(=O)(=O)CCCOc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O	1BK	trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1h-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
+CC(C)(C)c1cccc(c1)C2(CCCCC2)NC[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)CC[C@H](C(=O)O)O)O	1BL	(2r)-5-{[(2s,3r)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid
+CCN(CC)CCNc1cc(nc(n1)n2cnc3c2cccc3)Nc4cc(ccc4C)O	1BM	3-{[2-(1h-benzimidazol-1-yl)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-yl]amino}-4-methylphenol
+c1ccc(cc1)Cn2ccnc2	1BN	1-benzyl-1h-imidazole
+CCCCO	1BO	1-butanol
+C[C@H](CBr)O	1BP	1-bromopropane-2-ol
+CN1c2ccc(cc2-c3c(cn[nH]3)S1(=O)=O)c4ccc(cc4)C(=O)N5CCC(CC5)CCO	1BQ	[4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone
+CC(C)(C)c1ccc(cc1)CNc2ccc3c(c2)-c4c(cnn4C)S(=O)(=O)N3C	1BR	n-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide
+CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)c5cnccc5N4)Cl)C	1BS	2-{(1s)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1h)-one
+Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc5c(c4)ncs5)nc[nH]3)C)/C=C/C#N	1BT	(2e)-3-(4-{[6-(1,3-benzothiazol-5-ylamino)-9h-purin-2-yl]amino}-3,5-dimethylphenyl)prop-2-enenitrile
+Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)N	1BU	1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea
+Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CC/C=C/C/C=C/[C@@H](C(=O)N4C3)NC(=O)c6ccn(n6)C)C(=O)NS(=O)(=O)C7(CC7)C)OC(C)C)OC	1BV	(2r,6s,7e,10e,13ar,14ar,16as)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-n-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1h-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5h)-carboxamide
+CCCC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO	1BW	n-[(3s,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide
+CC1=CC(=O)N(C(=C1)Cc2ccc(cc2)O)O	1BX	1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1h)-one
+c1ccnc(c1)NCC(P(=O)(O)O)P(=O)(O)O	1BY	[2-(pyridin-2-ylamino)ethane-1,1-diyl]bis(phosphonic acid)
+CC1=CC(=O)N(C(=C1)Cc2ccccc2)O	1BZ	6-benzyl-1-hydroxy-4-methylpyridin-2(1h)-one
+B1(c2c(cc(cc2F)CN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O	1C0	5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide
+c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=[NH2+])N	1C1	amino({[(1r,2r)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1h-inden-2-yl]methyl}amino)methanimi nium
+CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@H]1C(=O)NC)NS(=O)(=O)O	1C2	3(s)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester
+COc1cc(cc(c1OC)OC)CN2CCC[C@H]2C(=O)O	1C3	1-(3,4,5-trimethoxybenzyl)-l-proline
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)N[C@@H](CCC(=O)O)C(=O)O)O	1C4	(2s)-2-({(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name)
+CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCC2CCCCC2)C(=O)N	1C5	[[o-phosphono-n-acetyl-tyrosinyl]-glutamyl-3[cyclohexylmethyl]alaninyl]-amine
+Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC	1C6	6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1h-benzimidazole
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5ccccc5)C	1C7	(7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1h-imidazol-1-yl)-7,8-dihydropteridin-6(5h)-one
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5cscn5)C	1C8	(7r)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1h-imidazol-1-yl]-7,8-dihydropteridin-6(5h)-one
+COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F	1C9	(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C	1CA	desoxycorticosterone
+C1CCC(C1)N	1CB	cyclopentanamine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C(=O)O)COP(=O)(O)O)O	1CC	5-carboxy-2'-deoxycytidine monophosphate
+C[C@@H]1C[C@H]2C[N@]1CCN3C(=O)c4cccc(c4N3)C5=Nc6c(cccc6O2)NC5=O	1CD	(13r,15s)-13-methyl-16-oxa-8,9,12,22,24-pentaazahexacyclo[15.6.2.16,9.1,12,15.0,2,7.0,21,25]heptacosa-1(24),2,4,6,17(25 ),18,20-heptaene-23,26-dione
+C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1	1CE	3-(1h-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCCO)O)O)O	1CF	2-hydroxyethyl 6-deoxy-beta-l-galactopyranoside
+c1ccc2c(c1)nc(o2)[C@H](Cc3ccc(cc3)NC(=O)C(=O)O)S(=O)(=O)Nc4ccc(cc4)F	1CG	[(4-{(2s)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid
+CC1(Cc2ccccc2C(=N1)N[C@@H](Cc3ccccc3)C(=O)O)C	1CH	n-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-l-phenylalanine
+c1cc(ccc1n2ccnc2)Cl	1CI	1-(4-chlorophenyl)-1h-imidazole
+CCO[C@H](c1cnn2c1cccc2)O	1CJ	(r)-ethoxy(pyrazolo[1,5-a]pyridin-3-yl)methanol
+Cc1cc(n[nH]1)NC(=O)c2ccc(cc2)Br	1CK	4-bromo-n-(5-methyl-1h-pyrazol-3-yl)benzamide
+[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58	1CL	fe(8)-s(7) cluster, oxidized
+CC[C@H](c1ccccc1)C(=O)Nc2ccncc2	1CM	(2r)-2-phenyl-n-pyridin-4-ylbutanamide
+c1c(cc(c(c1F)N)Cl)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N	1CN	5-{[(4-amino-3-chloro-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide
+C[C@@](CCS)(CC(=O)O)O	1CO	(3s)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid
+Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C	1CP	coproporphyrinogen i
+c1cc(ccc1c2c([nH]nc2Nc3ccc(cc3)O)c4ccc(cc4)O)O	1CQ	4,4'-{3-[(4-hydroxyphenyl)amino]-1h-pyrazole-4,5-diyl}diphenol
+COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O	1CR	popo-2-[4-(2-(4-(methoxy)-1h-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1h-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-a
+Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2Cl	1CS	1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea
+c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccccc2P(=O)(O)O	1CT	[2-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid
+[OH2][Cu+2]	1CU	copper ion, 1 water coordinated
+C[C@@](C[C@H](S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(CC(=O)O)O	1CV	(3r,5r,9r,19r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
+c1cc(c(c(c1)N)O)C(=O)O	1CW	3-amino-2-hydroxybenzoic acid
+c1cc(c(cc1I)F)N=C2C(C(=CC=C2C(=O)NOCCO)F)F	1CX	(5s)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-n-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide
+CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C	1CY	1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
+C[C@](CC(=O)O)(CC(=S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	1CZ	 (3s,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CNc2ccccc2O)/C(=O)O)O	1D0	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)c4ccc[nH]4)C	1D1	(7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(1h-pyrrol-2-yl)-7,8-dihydropteridin-6(5h)-one
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCC2)O)N(C)C	1D2	cyclododecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCCC2)O)N(C)C	1D4	cyclotridecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+c1cc(ccc1CC(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc(cs4)Br	1D5	(4-{(2r)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}phenyl)acetic acid
+Cc1cccc(c1)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5ccc(cc5)CC(=O)O)O	1D6	{4-[(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-3-(3-methylbenzoyl)-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid
+c1cc(cc(c1)C(F)(F)F)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5cccc(c5)C(=O)O)O	1D8	3-{(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid
+c1cc(cc(c1)C(F)(F)F)[C@H]2C(=C(C(=O)N2c3cccc(c3)C(=O)O)O)C(=O)c4cccc(c4)C(F)(F)F	1D9	3-{(5s)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid
+c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	1DA	1-deaza-adenosine
+CCCCCCCCCCS(=O)(=O)O	1DB	1-decane-sulfonic-acid
+C[C@@H](c1ccncc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1DC	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(pyridin-4-yl)ethyl]propanamide
+Cc1nc2ccccc2n1S(=O)(=O)c3ccc(cc3)F	1DD	1-[(4-fluorophenyl)sulfonyl]-2-methyl-1h-benzimidazole
+c1cc(cc(c1)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc5c(c(c4)Cl)OCO5)C(=O)O	1DE	3-{(2s)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}benzoic acid
+COc1cc(cc(c1O)[N+](=O)[O-])C(=O)O	1DF	4-hydroxy-3-methoxy-5-nitrobenzoic acid
+c1cnccc1C(=O)[C@@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O	1DG	(4r)-isonicotinic-acetyl-nicotinamide-adenine dinucleotide
+c1c(sc(n1)N)Cl	1DH	5-chloro-1,3-thiazol-2-amine
+c1ccc2c(c1)CN(C2)C(=O)[C@@H](Cc3ccc(cc3Cl)Cl)N	1DI	(2r)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2h-isoindol-2-yl)propan-1-one
+C#C[C@H](c1ccccc1)O	1DJ	(1r)-1-phenylprop-2-yn-1-ol
+Cc1cc(c(cc1C)C2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4cccs4)C	1DK	{4-[(5r)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1h-pyrrol-1-yl]phenyl}acetic acid
+Cc1ccc(cc1C(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccccc3)c4cc(cs4)Br	1DL	5-[(2r)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl]-2-methylbenzoic acid
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NC(CN3CCOCC3)CN4CCOCC4	1DM	n-(2-morpholin-4-yl-1-morpholin-4-ylmethyl-ethyl)-3-nitro-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide
+COc1cc2c(cc1OC)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N	1DN	7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
+CCCCCCCCCCCCO	1DO	1-dodecanol
+c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	1DP	n1-deaza-adenosine-5'-monophosphate
+c1c([nH]cn1)C(F)(F)F	1DQ	5-(trifluoromethyl)-1h-imidazole
+c1ccc2c(c1)c3ccc4c(c[nH]c4c3[nH]2)C=O	1DR	1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
+CCCCCCCCCC(=O)OC[C@@]1([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O	1DS	1-o-decanoyl-beta-d-tagatofuranosyl beta-d-allopyranoside
+C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccccc4	1DT	n-[(1s)-1-cyclopropylethyl]-2-phenoxy-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+c1cnn(c1)CCO	1DU	2-(1h-pyrazol-1-yl)ethanol
+Cc1cc(n[nH]1)C(F)(F)F	1DV	5-methyl-3-(trifluoromethyl)-1h-pyrazole
+c1cc(c(cc1O)C=O)Br	1DW	2-bromo-5-hydroxybenzaldehyde
+c1cc(ccc1C[N@@](CCCCC(=O)O)CCc2cc(ccc2OCc3ccc(cc3)c4ccc(cc4)C(F)(F)F)F)C(=O)O	1DX	4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid
+COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3	1DY	n-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide
+Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccccc3	1DZ	1-(3-methylphenyl)-5-phenyl-1h-pyrazole-3-carboxylic acid
+CCCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N	1E0	4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide
+C1CC1C[C@@H]([C@H](C(=O)N)O)N	1E1	(2r,3s)-3-amino-4-cyclopropyl-2-hydroxybutanamide
+CC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)O	1E2	(2s)-3-(acetyloxy)-2-hydroxypropyl 6-deoxy-6-sulfo-beta-d-glucopyranoside
+C(CCC[C@@H](C(=O)O)N)CCCN	1E3	(2s)-2,9-diaminononanoic acid
+COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O	1E4	1-o-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-o-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-d-mannitol
+c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O	1E5	6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid
+COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O	1E6	6-({2-[(5-chloro-4-{[(2s)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
+COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl	1E7	6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
+C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N	1E8	1-{(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one
+CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC3=NS(=O)(=O)c4c3ccc(c4)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl	1E9	n-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide
+Cc1cc(c(cc1c2cc(c3cc(ccc3n2)F)C(=O)O)C(C)C)Oc4ccccc4	1EA	6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid
+c1cc(ccc1NC(=O)C2CC2)[N+](=O)[O-]	1EB	n-(4-nitrophenyl)cyclopropanecarboxamide
+[B-](CCCC[C@@](CCCO)(C(=O)O)N)(O)(O)O	1EC	[(5r)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-)
+c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	1ED	(3s,6s)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione
+[B-](CCCC[C@@](CCN1CCC(CC1)O)(C(=O)O)N)(O)(O)O	1EE	[(5r)-5-amino-5-carboxy-7-(4-hydroxypiperidin-1-yl)heptyl](trihydroxy)borate(1-)
+Cc1ccc(cc1)C(=O)NCc2cn(nn2)[C@H](Cc3ccc4ccccc4c3)CC(=O)NO	1EF	n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)NC(=NC2=O)N	1EG	5'-o-(l-alpha-glutamylsulfamoyl)guanosine
+c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCc4ccnc(c4)Cl	1EH	4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N=CNC2=O	1EI	5'-o-(l-alpha-glutamylsulfamoyl)inosine
+c1cc(ccc1c2nnc(n2c3ccc4c(c3)sc(c4Cl)C(=O)O)S)F	1EJ	3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4h-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid
+c1ccc(cc1)n2c(nnc2SCC(=O)O)c3c(c4ccccc4s3)Cl	1EK	{[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid
+Cc1c2c(c(c3c1[nH]c4c3cc(cc4)O)C)C(=O)N=CC2	1EL	9-hydroxy-5,11-dimethyl-4,6-dihydro-1h-pyrido[4,3-b]carbazol-1-one
+CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCC	1EM	(1s)-2-hydroxy-1-[(nonanoyloxy)methyl]ethyl myristate
+c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F	1EN	3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine
+c1ccc(c(c1)Oc2cccn3c2nnc3C45CCC(C4)(CC5)O)F	1EO	(1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol
+CC(C)[C@H]1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C	1EP	(5s)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione
+c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5	1EQ	3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine
+CC(C)(C)c1cccc(c1)C2=CC=CNC2=O	1ER	3-(3-tert-butylphenyl)pyridin-2(1h)-one
+Cn1cc(c2c1cccc2)CCN	1ES	2-(1-methyl-1h-indol-3-yl)ethanamine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3cc(cc(n3)N)C	1ET	6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)
+CCNC(=O)Nc1[nH]c2cc(cc(c2n1)C(=O)C)c3cccnc3	1EU	1-(4-acetyl-6-pyridin-3-yl-1h-benzimidazol-2-yl)-3-ethylurea
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)N)C	1EV	3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile
+Cc1cc(nc(c1)N)CCc2ccc(c(c2)CCc3cc(cc(n3)N)C)CCCN	1EW	6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)
+CC/C=C\C=C/CCCCCCCCCCO	1EX	(11z,13z)-hexadeca-11,13-dien-1-ol
+CC/C=C\C=C/CCCCCCCCCC=O	1EY	(11z,13z)-hexadeca-11,13-dienal
+c1cc(ccc1NC(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N	1EZ	n-(4-sulfamoylphenyl)-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
+CCOc1cc(ccc1C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)c4ccc(cc4)Cl)(C)c5ccc(cc5)Cl)C(C)(C)C	1F0	[(4s,5r)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1h-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone
+c1cc(cc2c1cc[nH]2)C(=O)O	1F1	1h-indole-6-carboxylic acid
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CCC[C@@H]3c4cccnc4)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C	1F2	(3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3C=CC[C@@H]3c4ccc(cc4)NC(=O)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C	1F3	(3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-2-[4-(acetylamino)phenyl]-2,3-dihydro-1h-pyrrole-1-carboxylate
+CC[C@@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)N3CC(C[C@@H]3c4cccnc4)(C)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C	1F4	(3as,4r,7r,8s,9s,10r,11r,13r,15s,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2r)-4,4-dimethyl-2-(pyridin-3-yl)pyrrolidine-1-carboxylate
+C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O)C(C)C)C)(COC)O	1F5	(1r,3as,4r,5r,6r,9ar,10e)-6-({(1s,2r,4s,5r,6r,8s,9s)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2s)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol
+CN1c2ccc(cc2N(C(=O)/C(=C\NCCOC)/C1=O)c3ccccc3)C(F)(F)F	1F6	(3z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1h-1,5-benzodiazepine-2,4(3h,5h)-dione
+CCCCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O)O	1F7	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3r)-3-hydroxytetradecanethioate
+Cc1c(c2ccccc2o1)C(=O)NCCS	1F8	2-methyl-n-(2-sulfanylethyl)-1-benzofuran-3-carboxamide
+c1cc(ccc1C#Cc2cc(cc(n2)C#CCN3CCOCC3)Sc4ccc(c5c4CCC5)OCC(=O)O)C(F)(F)F	1FA	[(7-{[2-(3-morpholin-4-ylprop-1-yn-1-yl)-6-{[4-(trifluoromethyl)phenyl]ethynyl}pyridin-4-yl]thio}-2,3-dihydro-1h-inden- 4-yl)oxy]acetic acid
+CC(C)(C)n1c2c(c(ncn2)N)c(n1)Oc3cccc(c3)Cl	1FB	1-tert-butyl-3-(3-chlorophenoxy)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C(=O)O	1FC	4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid
+c1cc(ccc1CN)OC(F)(F)F	1FD	1-[4-(trifluoromethoxy)phenyl]methanamine
+c1cc2c(cc1NC(=O)CN)NC(=O)N2	1FE	n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)glycinamide
+Cn1c(c(cn1)C(=O)O)c2ccccc2	1FF	1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid
+CN(CC1=NC(=O)c2ccccc2N1)CC(=O)N3CCCc4c3cccc4	1FG	2-({[2-(3,4-dihydroquinolin-1(2h)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1h)-one
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe+2]36[N]7=C(C(C(C7=C2)C=C)C)C(=C8N6C(=C5)C(=C8C=C)C)c9ccccc9)C)CCC(=O)O	1FH	12-phenylheme
+c1ccc(c(c1)CNc2c(nccn2)C(=O)N)C(F)(F)F	1FI	3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide
+Cc1cccc(c1C)NC(=O)C2=C3NC(=O)c4c(ccs4)N3C(=S)S2	1FJ	~{n}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide
+CC(=O)c1cc(c2n1ccc(c2)N)c3ncccn3	1FK	1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone
+c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O	1FL	5-(2,4-difluorophenyl)-2-hydroxy-benzoic acid
+C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O1)O)OC)O)O	1FM	(3s,5z,8s,9s,11e)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
+c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)F	1FN	1-(4-fluorophenyl)-n-[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
+c1cc(cc(c1)F)C(=O)c2cc([nH]c2)C=CC(=O)C=C(C(=O)O)O	1FO	6-[4-(3-fluorobenzoyl)-1h-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
+C1CN(CCN1)C=O	1FP	piperazine-1-carbaldehyde
+c1cc(ccc1C(=O)c2cc([nH]c2)/C=C/C(=O)/C=C(/C(=O)O)\O)F	1FQ	(2z,5e)-6-[4-(4-fluorobenzoyl)-1h-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
+C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4cc(cc(c4)Cl)CCCO	1FR	3-[3-chloro-5-(5-{[(1s)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol
+c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])Cl	1FS	2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile)
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O)O)O	1FT	4-s-(6-o-phosphono-alpha-l-idopyranosyl)-4-thio-beta-d-glucopyranose
+c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5	1FV	n-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
+c1cc2c(cc1F)C(=O)N(C=N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4	1FW	(2s)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4h)-yl)-n-(1,3-thiazol-2-yl)propanamide
+c1cc2c(cc1F)C(=O)N(C(=O)N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4	1FX	(2s)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl)-n-(1,3-thiazol-2-yl)propanamide
+CS(=O)(=O)N1CCN(C(=O)C1)[C@@H](CC2CCCCC2)C(=O)Nc3nccs3	1FY	(2s)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-n-(1,3-thiazol-2-yl)propanamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O	1FZ	5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine
+c1ccc(cc1)Oc2ccc(cc2)c3c4c(nccn4c(n3)C5CC(C5)O)N	1G0	cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
+CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N]=N	1G1	n3phe-leu-leu-phe(4-nh2ch2)-methyl vinyl sulfone, bound form
+c1ccc(cc1)C[C@@H](C(=O)O)N=[N+]=[N-]	1G2	(2s)-2-azido-3-phenylpropanoic acid
+CS(=O)(=O)CC[C@H](Cc1ccc(cc1)CN)N	1G3	(2s)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)butan-2-amine
+c1cc(ccc1C[C@H]2CN[C@H](C(=O)N2)Cc3ccc(cc3)O)O	1G4	(3s,6s)-3,6-bis(4-hydroxybenzyl)piperazin-2-one
+Cc1c(cccc1O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](CCS(=O)(=O)C)Cc2ccc(cc2)CN	1G5	hmb-val-ser-phe(4-nh2ch2)-methyl vinyl sulfone, bound form
+CC(C)C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@@H](Cc2ccc(cc2)CN)NC(=O)[C@H](Cc3ccccc3)N=[N]=N	1G6	n3phe-phe(4-nh2ch2)-leu-phe(4-nh2ch2)-methyl vinyl sulfone, bound form
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)O)O)O	1G7	(3s,6s)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione
+c1cc(ccc1C[C@H](C(=O)O)N)CN	1G8	4-(aminomethyl)-d-phenylalanine
+C[C@H]1C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O	1G9	(3s,6s)-3-(4-hydroxybenzyl)-6-methylpiperazine-2,5-dione
+CC1=CCc2ccc(cc2)NC/C(=C/CC1)/C	1GA	geraniline
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4ccc(cc4)O	1GB	(3s,6s)-3-(4-hydroxybenzyl)-6-(1h-indol-3-ylmethyl)piperazine-2,5-dione
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N	1GC	2'-deoxy-5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine
+c1ccc(cc1)CC(=O)NCc2ccc(cc2)S(=O)(=O)N	1GD	2-phenyl-n-(4-sulfamoylbenzyl)acetamide
+[H]/N=C(\c1ccc2c(c1)[C@H]3c4ccccc4C[C@H]3[C@@H](N2)c5cc(c(cc5c6ccc(cc6)C(=O)O)O)OC)/N	1GE	2'-[(6r,6ar,11br)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5h-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid
+CC(=CCc1c2c(cc(c1OC)OCc3ccc(cc3)F)Oc4cc5c(c(c4C2=O)OC/C=C\C(=O)O)C=CC(O5)(C)C)C	1GF	(~{z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)C2CC(C3=C(N=C(C(=O)N23)NC4CCC4)Cl)(CC)CC)\N	1GG	(6s)-n-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)NC(=O)N4[C@H](C)c5ccccn5	1GH	7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1r)-1-(pyridin-2-yl)ethyl]-1h,2h,3h-imidazo[4,5-c]quinolin-2-one
+C[C@H](C1CC1)Nc2c3c(nc(n3Cc4ccc(cc4)Cl)c5ccc6c(c5)ccs6)nc(n2)C(=O)O	1GI	8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1r)-1-cyclopropylethyl]amino}-7h-purine-2-carboxylic acid
+c1ccc(cc1)Cn2c(c3cccc(c3n2)C(F)(F)F)c4ccc(cc4O)O	1GJ	4-[2-benzyl-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3	1GK	n-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1h-pyrrole-2-carboxamide
+C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC	1GL	2,6-dideoxy-4-o-methyl-alpha-d-galactopyranose
+CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O	1GM	4-[2-ethyl-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O	1GN	2-amino-2-deoxy-beta-d-galactopyranose
+c1cc(sc1)CC(=O)Nc2nnc(s2)S(=O)(=O)N	1GO	n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
+C([C@@H](COP(=O)(O)O)O)O	1GP	sn-glycerol-1-phosphate
+CCCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	1GQ	4-[1-butyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+CC(C)Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	1GR	4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+CC(C)Cn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O	1GS	4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+C=CCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	1GT	4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+C=CCCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O	1GU	4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+Cc1cc(ccc1c2ccc(s2)c3ccc(cc3C)O)O	1GV	4,4'-thiene-2,5-diylbis(3-methylphenol)
+c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O	1GW	5-(2-formylthien-5-yl)-uridine-5'-diphosphate-alpha-d-galactose
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/SC)O	1GZ	methylthioacryloyl-coa
+CCOC(=O)C[C@@H](CC#N)O	1H1	ethyl (3r)-4-cyano-3-hydroxybutanoate
+Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](c3ccccc3)O	1H2	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(r)-hydroxy(phenyl)methyl]phenol
+Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3ccccc3)O	1H3	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(s)-hydroxy(phenyl)methyl]phenol
+c1cc(cc(c1)N2CCCC2=O)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5	1H4	n-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
+c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3([C@H](COC(=N3)N)F)CF)F	1H5	n-{3-[(4s,5r)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1([C@@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1H6	n-{3-[(4r,5s)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1([C@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1H7	n-{3-[(4r,5r)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1H8	n-{3-[(4s)-2-amino-4-methyl-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+c1cc(cc(c1)Br)COc2ccc3c(c2)-c4ccsc4NC3=O	1H9	8-[(3-bromophenyl)methoxy]-4~{h}-thieno[2,3-c]isoquinolin-5-one
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O	1HA	1-hydroxy-2-naphthoyl-coa
+CN(C)C(=O)CC[C@@H](CO)N	1HB	(4s)-4-amino-5-hydroxy-n,n-dimethylpentanamide
+C=CC(=O)N	1HC	prop-2-enamide
+CC(=O)NC[C@@H](CO)N	1HD	n-[(2s)-2-amino-3-hydroxypropyl]acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCSC)O	1HE	3-methylmercaptopropionate-coa (mmpa-coa)
+c1cc(oc1)/C=C\2/C(=O)N/C(=N/N=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/S2	1HF	(3e)-3-{(2z)-[(5z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene}-2-oxo-2,3-dihydro-1h-indole-5-sulfonic acid
+C[C@]1([C@H]([C@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HG	n-{3-[(4r,5r,6s)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1([C@H]([C@@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HH	n-{3-[(4r,5r,6r)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+C[C@]1(C[C@@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HJ	n-{3-[(4s,6r)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+COc1cc(ccc1O)CCc2c3c(n[nH]2)-c4ccccc4C3	1HK	4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol
+C[C@]1(C[C@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	1HL	n-{3-[(4s,6s)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C[C@H](OC(=N3)N)C(F)(F)F)CF)F	1HM	n-{3-[(4s,6s)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+c1ccc2c(c1)ccc(c2O)C(=O)O	1HN	1-hydroxynaphthalene-2-carboxylic acid
+c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C(COC(=N3)N)(F)F)CF)F	1HO	n-{3-[(4s)-2-amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+Cn1c2cc(cnc2nc1N)c3ccc(cc3)O	1HP	4-(2-amino-1-methyl-1h-imidazo[4,5-b]pyridin-6-yl)phenol
+c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(CCOC(=N3)N)C(F)F)F	1HQ	n-{3-[(4s)-2-amino-4-(difluoromethyl)-5,6-dihydro-4h-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+c1cc(c(cc1C(=O)[C@H]2C[C@@H]2C(=O)O)Cl)Cl	1HR	(1s,2s)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid
+C[C@@H](CSCCS(=O)(=O)O)O	1HS	2-{[(2s)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid
+CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)C(=CC)C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)OC(=O)CCC	1HT	(3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3a,4-bis(butanoyloxy)-3-hydroxy-3,6,9-trimethyl-8-{[(2e)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate
+CNCCc1c[nH]c2c1cccc2	1HU	2-(1h-indol-3-yl)-n-methylethanamine
+CNC(=O)c1ccc(cc1)n2c3ccccc3c(n2)c4ccc(cc4)C(=O)NCCCN	1HV	4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1h-indazol-1-yl)-n-methylbenzamide
+COc1ccc2c(c1)C3=NN([C@@H]([C@@H]3CC2)c4ccc(c(c4)F)OC(F)(F)F)C(=O)CO	1HW	1-{(3s,3as)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2h-benzo[g]indazol-2-yl}-2-hydroxyethanone
+C[C@@H](c1c(cccc1Cl)F)NC(=O)c2ccc(n2C)C#N	1HX	n-[(1s)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1h-pyrrole-2-carboxamide
+c1cc(c(c(c1)O)O)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	1HZ	5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine
+CC1CCC(CC1)Cn2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2N6CCO[C@H]7[C@H]6CCC7	1I0	3-[4-(5-chloropyridin-3-yl)-2-[(4ar,7ar)-hexahydrocyclopenta[b][1,4]oxazin-4(4ah)-yl]-3-{[(1r,4r)-4-methylcyclohexyl]methyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one
+c1nc(c2c(n1)n(cn2)CCN[C@@H](CO)C(=O)NP(=O)(O)O)N	1I1	((2-(6-amino-9h-purin-9-yl)ethyl)-l-seryl)phosphoramidic acid
+CC1CCC(CC1)[C@@H](C)n2c3c(cc(nc3c4cc(cnc4)Cl)C5=NOC(=O)N5)nc2[C@H](C)COC	1I3	3-[4-(5-chloropyridin-3-yl)-2-[(2s)-1-methoxypropan-2-yl]-3-{(1r)-1-[(1r,4r)-4-methylcyclohexyl]ethyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one
+C[C@H](Cn1cnc2c1ncnc2N)N(CCP(=O)(O)O)CC(=O)O	1I4	(r)-n-(1-(6-amino-9h-purin-9-yl)propan-2-yl)-n-(2-phosphonoethyl)glycine
+COc1cccc(c1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)OC)\O	1I6	methyl (z)-4-(4-(4-chlorobenzyl)-1-(3-methoxybenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+c1ccc2c(c1)C[C@@H](NC2)C(=O)N[C@H](Cc3ccc(cc3)Cl)C(=O)N4CCC(CC4)(Cn5cncn5)C6CCCCC6	1I8	(3r)-n-[(2r)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
+CCO[C@@H](c1nc2cc(nc(c2n1[C@H](C)C3CCC(CC3)C)c4cc(cnc4)Cl)C5=NOC(=O)N5)C6CC6	1I9	3-[4-(5-chloropyridin-3-yl)-2-[(r)-cyclopropyl(ethoxy)methyl]-3-{(1r)-1-[(1r,4r)-4-methylcyclohexyl]ethyl}-3h-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4h)-one
+c1nc(c2c(n1)n(cn2)CCN[C@@H](CP(=O)(O)O)C(=O)O)N	1IA	(2~{r})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid
+CCCCCCCC(=O)OC[C@H](C(=O)O)N	1IC	o-octanoyl-d-serine
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(S3)(C)C)CCNC(=O)C	1IG	n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzothiazin-4-yl]ethyl}acetamide
+c1nc(c2c(n1)n(cn2)CCN[C@H](CP(=O)(O)O)C(=O)O)N	1IH	(s)-2-((2-(6-amino-9h-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid
+c1nc(c2c(n1)n(cn2)CCCN[C@H](CP(=O)(O)O)C(=O)O)N	1IK	(s)-2-((3-(6-amino-9h-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid
+C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)CCc4cccnc4)O)O	1IN	1-[2-hydroxy-4-(2-hydroxy-5-methyl-cyclopentylcarbamoyl)5-phenyl-pentyl]-4-(3-pyridin-3-yl-propionyl)-piperazine-2-carb oxylic acid tert-butylamide
+c1nc(c2c(n1)n(cn2)CCO[C@H](CP(=O)(O)O)C(=O)O)N	1IO	(s)-2-(2-(6-amino-9h-purin-9-yl)ethoxy)-3-phosphonopropanoic acid
+C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)N	1IP	n~2~-(phosphonoacetyl)-l-asparagine
+CC(C)[C@@]1(C(=O)NC(=N1)c2c(cc3ccccc3n2)C(=O)O)C	1IQ	2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)quinoline-3-carboxylic acid
+COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4	1IR	n-[cis-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
+COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4	1IS	n-[trans-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
+c1ccc2c(c1)c3ccccc3o2	1IT	dibenzofuran
+C[C@H](CP(=O)([C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2[nH]nnn2)N)O)C(=O)N[C@@H](C)C(=O)N	1IU	[3-[[(2s)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl]-[(1r)-1-[[(2r)-2-azanyl-3-(1h-1,2,3,4-tetrazol-5-yl)propanoyl]amino]-2-phenyl-ethyl]phosphinic acid
+COc1ccc(nn1)[C@H](c2cc(c(cc2Cl)F)c3c4ccc(cc4ncn3)N5CCOCC5)O	1IX	(~{s})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
+CC1=Cc2cc3c(c(c2C(=O)O1)O)[C@]4(C(=C5C(=C([C@]4(CC3)O)O)C(=O)C6=C(C5=O)C(=O)C(=CC6=O)OC)O)O	1J0	collinone
+C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N	1J1	n~6~-[(2r)-3,4-dihydro-2h-pyrrol-2-ylcarbonyl]-l-lysine
+CS(=O)(=O)C1CCN(CC1)c2cccc3c2ccn3c4ccnc(n4)NC5CCC(CC5)O	1J2	trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1h-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
+CN1CCN(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(C[C@@](C(=O)N4C)(C=C)F)C5CCCC5	1J3	4-{[(7r)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-n-(4-methylpiperazin-1-yl)benzamide
+CN1CCC(CC1)NC(=O)c2cc(c(cc2F)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC	1J4	4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O	1J5	trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexanecarbonitrile
+C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CC#N)cc[nH]3)O	1J6	(trans-4-{2-[(1r)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6h)-yl}cyclohexyl)acetonitrile
+c1ccc(c(c1)n2c3c(cn2)c(ncn3)O[C@@H](COCCO)C(=O)Nc4ccc(cn4)Cl)Cl	1J9	(2s)-2-{[1-(2-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-n-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O	1JB	[[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4s,5r,6r)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+c1ccnc(c1)CNS(=O)(=O)Cc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6	1JC	1-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-n-(pyridin-2-ylmethyl)methanesulfonamide
+Cc1ccc(nc1)NC(=O)[C@H](COC(C)C)Oc2c3cnn(c3ncn2)c4c(cccn4)Cl	1JD	(2s)-2-{[1-(3-chloropyridin-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-n-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide
+CCC[C@]1(c2c(c3c(ccc(c3[nH]2)Cl)Cl)CCO1)CC(=O)O	1JE	[(1r)-5,8-dichloro-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
+c1cc(c(cc1Cl)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl)C(=O)O	1JF	4-chloro-2-{[(2,4,5-trichlorophenyl)sulfonyl]amino}benzoic acid
+c1cc(c(cc1Cl)NS(=O)(=O)c2ccc(s2)Br)C(=O)O	1JG	2-{[(5-bromothiophen-2-yl)sulfonyl]amino}-4-chlorobenzoic acid
+Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccccc3	1JH	2-{[(4-methylphenyl)sulfonyl]amino}-5-phenoxybenzoic acid
+CC[C@@H](O)P(=O)(O)O	1JJ	[(1s)-1-hydroxypropyl]phosphonic acid
+C[C@@H](Cc1cc(no1)c2ccccc2)C(=O)O	1JK	(2s)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
+Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C(=O)O)Oc3ccccc3	1JL	2-{[(4-methylphenyl)sulfonyl]amino}-4-phenoxybenzoic acid
+CN[C@H](Cc1ccc(cc1)C(=O)O)C(=O)O	1JM	4-carboxy-n-methyl-d-phenylalanine
+Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCC4	1JN	1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole
+c1ccc(cc1)CCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N	1JO	d-gamma-glutamyl-s-(4-phenylbutyl)-l-cysteinylglycine
+c1ccc(cc1)CC[C@H](CSC[C@@H](C(=O)/N=C\C(=O)O)NC(=O)CC[C@H](C(=O)O)N)O	1JP	d-gamma-glutamyl-(z)-n-(carboxymethylidene)-s-[(2r)-2-hydroxy-4-phenylbutyl]-l-cysteinamide
+C[C@H](Cc1cc(no1)c2ccccc2)C(=O)O	1JQ	(2r)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid
+c1ccc(cc1)c2c3c(n[nH]2)C(=O)N[C@H]3c4cccnc4	1JR	(4s)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2h)-one
+c1ccc(cc1)C#Cc2ccc(cc2)C(=O)N[C@@H](CCC(=O)NCCCO)C(=O)NO	1JS	n~1~-hydroxy-n~5~-(3-hydroxypropyl)-n~2~-[4-(phenylethynyl)benzoyl]-l-glutamamide
+Cc1cc(ccc1OC)Cn2cnc3c2cc4c(c3)CCCC4	1JT	1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1h-naphtho[2,3-d]imidazole
+c1cc2c(cc1Cn3cnc4c3cc5c(c4)CCCC5)OCO2	1JU	1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1h-naphtho[2,3-d]imidazole
+CC(C)(Cn1cc(cn1)c2ccc-3c(c2)OCCc4c3nc(s4)c5ncnn5CC(F)(F)F)O	1JV	2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1h-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1h-pyrazol-1-yl)propan-2-ol
+C(CCO)C[C@@H](CO)O	1JW	(2s)-hexane-1,2,6-triol
+C[C@@H]1C(=O)Nc2c(cccn2)N1	1JX	(2r)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2h)-one
+C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO	1JY	n-(4-{[(6s)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1h-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-l-gamma-glutamyl-d-glutamic acid
+[H]/N=C(\N)/Nc1ccc(cc1)CO	1JZ	1-[4-(hydroxymethyl)phenyl]guanidine
+Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC	1K0	2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3h)-one
+CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)OC	1K3	5-(4-methoxyphenyl)-n-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine
+CCCCCCCCCC(=O)N[C@@H](CCO)C(=O)O	1K4	n-decanoyl-l-homoserine
+c1ccc2c(c1)C(=O)c3ccccc3N2CC(=O)O	1K5	(9-oxoacridin-10(9h)-yl)acetic acid
+CC[C@H](C)[C@H](C=O)[C@H](C(=O)O)O	1K6	(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoic acid
+c1ccc(cc1)CC[C@H](C[C@@H]2C[C@@H]2N)N	1K7	(1s,2s)-2-[(2r)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine
+c1ccc2c(c1)cc(c(n2)N3CCNCC3)Cl	1K8	3-chloranyl-2-piperazin-1-yl-quinoline
+c1cc(cc(c1)NC(=O)Nc2cc(ccc2c3ccsc3)S(=O)(=O)NC4CC4)C(F)(F)F	1K9	1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea
+C(COCC=O)O	1KA	(2-hydroxyethoxy)acetaldehyde
+CSCCC=C[C@H](CC(=O)O)O	1KC	(3s)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid
+CC(C)(C(=O)N[C@H](COCc1ccccc1)C(=O)N2CCC3(CC2)CN(c4c3cccc4)S(=O)(=O)C)N	1KD	1-(methanesulfonyl)-1'-(2-methyl-l-alanyl-o-benzyl-d-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine]
+c1c(cnc(c1Cl)N2CCNCC2)I	1KE	1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine
+CCC(=O)OC[C@H](C)CC[C@@H]1[C@H]([C@H]2[C@@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)C	1KG	(3beta,9beta,22r,25r)-3-hydroxyfurost-5-en-27-yl propanoate
+C([C@H]([C@@H]([C@H](C(O)O)O)O)O)[As](=O)(O)O	1KH	arsenoribose
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOC	1KJ	n~5~-(n-methoxycarbamimidoyl)-l-ornithine
+c1nc(c2c(n1)n(cn2)CCCO[C@H](CP(=O)(O)O)C(=O)O)N	1KK	(s)-2-(3-(6-amino-9h-purin-9-yl)propoxy)-3-phosphonopropanoic acid
+CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(cc2)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC	1KL	methyl (2z)-(3-{4-[(4-tert-butylphenyl)carbamoyl]phenyl}-4-oxo-1,3-thiazolidin-2-ylidene)(cyano)acetate
+C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O	1KM	(2r)-2-azanyl-3-[(1r,2s)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid
+C[C@H]1[C@H]([C@H]([C@@H](N1)c2ccc(cc2)OC)O)O	1KN	(2s,3s,4r,5s)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
+c1cc(ccc1c2cn3c(n2)c(cnc3C(=O)N)N[C@H]4CCCNC4)Cl	1KO	2-(4-chlorophenyl)-8-[(3s)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide
+c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl	1KP	(3e)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2h-indol-2-one
+Cc1cc(ncn1)c2ccc3c(c2)CC[C@H]3N4CC5(C4)CCN(CC5)C(=O)Cc6cn7cc(sc7n6)C	1KQ	 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1r)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
+CC[C@H](C)[C@H](C=O)[C@H](C(=O)N[C@H]1C[C@H]1C[C@@H](CCc2ccccc2)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O	1KR	benzyl [(2s)-1-({(2r)-1-[(1s,2s)-2-{[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)F	1KS	4-fluoro-n-methyl-n-{1-[4-(1-methyl-1h-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide
+COc1cc2c(c(c1)OC)[C@@H]3[C@H]4CCC[C@H](N4C(=O)C(=O)c5cc(c(c(c5)OC)OC)OC)C(=O)N3CC2	1KT	1-[(9s,13r,13ar)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6h-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
+COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)scn5	1KU	(1s,6r)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
+CO[C@@H]1CC[C@@H]([C@H](C1)NC(=O)CN2CCN(CC2)Cc3ccc4c(c3)OCO4)OC	1KV	2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-n-[(1s,2s,5s)-2,5-dimethoxycyclohexyl]acetamide
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612	1KW	ortho-carborane
+c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4	1KX	{(1s,4r)-4-[2-amino-6-(cyclopropylamino)-9h-purin-9-yl]cyclopent-2-en-1-yl}methanol
+COc1ccc(cc1OC)OCCN2C[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5	1KY	6-({(1s,5r)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3h)-one
+COc1ccc(cc1OC)OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c3ccc4c(c3)SC(=O)N4	1KZ	2-(3,4-dimethoxyphenoxy)ethyl (2s)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate
+CN(C)C(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O	1L0	4-azanyl-~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
+C1CCC(CC1)C[C@H](C(=O)O)NS(=O)(=O)N	1L1	3-cyclohexyl-n-sulfamoyl-d-alanine
+CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC	1L2	(2s)-3-(alpha-d-galactopyranosyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl (9z,12z)-octadeca-9,12-dienoate
+CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	1L3	menaquinone-4
+c1cc(cc(c1)C#N)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4	1L4	n-[(2r)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
+C/C(=C\N(=O)=O)/c1ccccc1	1L5	[(1e)-1-nitroprop-1-en-2-yl]benzene
+CCC(C)(C)c1c2c(n(n1)CCO)C(=O)NCC(=N2)c3ccc(cc3)n4ccnc4C	1L6	1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1h-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1h)-one
+c1ccc(cc1)CNC(=O)/C(=C/c2ccncc2)/C#N	1L7	(2e)-n-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide
+c1cc(cc(c1)C(F)(F)F)C[C@H](C(=O)N2CCCC2)NS(=O)(=O)c3cc4c(c(c3)F)CNCC4	1L8	8-fluoro-n-{(2r)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2ccc(cc2)Cl)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	1L9	n-[(2s,3s,4r)-1-({6-o-[(4-chlorophenyl)carbamoyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2ccncc2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	1LA	n-[(2s,3s,4r)-3,4-dihydroxy-1-{[6-o-(pyridin-4-ylcarbamoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
+c1cc2c(cc1C[C@@H](C#N)C(=O)N)cn[nH]2	1LB	(2s)-2-cyano-3-(1h-indazol-5-yl)propanamide
+c1cc(cc(c1)C(=O)c2c[nH]c3c2cccn3)C[C@H](C#N)C(=O)N	1LC	(2r)-2-cyano-3-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide
+C1=C(C(=NC(=O)N1)N)F	1LD	5-fluorocytosine
+CC(C)(CO)NC(=O)[C@@H](Cc1ccc2c(c1)c(n[nH]2)c3cc(c(c(c3)OC)OC)OC)C#N	1LE	(2s)-2-cyano-n-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]propanamide
+Cc1nc(nc(n1)N2CCC(CC2)C(=O)NCc3ccccc3C(F)(F)F)NC	1LF	1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-n-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide
+c1c(c(cc(c1S(=O)(=O)N2CCOCC2)Cl)Cl)C(=O)Nc3c(c4c(s3)CCCC4)C#N	1LG	2,4-dichloro-n-(3-cyano-4,5,6,7-tetrahydro-benzothiophen-2yl)-5-(morpholine-4-sulfonyl)-benzamide
+CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)NCC[NH3+]	1LH	(2s)-4-[(2-ammonioethyl)amino]-n-[(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CCCCC2)c3cccc(c3)C(C)(C)C)O	1LI	n-[(1s,2r)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(nc3)N	1LJ	1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea
+C1[C@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)F	1LK	1,4-anhydro-2-deoxy-2-fluoro-5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-d-arabinitol
+C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S[C@H]2[C@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O	1LL	thioditaloside
+c1ccc2c(c1)c(ccn2)N	1LM	quinolin-4-amine
+C1=CC=[N](C(=C1)N)CCO	1LN	2-(2-aminopyridin-1-ium-1-yl)ethanol
+C[C@H](C=O)c1ccccc1	1LP	tranylcypromine
+c1ccc2c(c1)c(ncn2)N	1LQ	quinazolin-4-amine
+c1ccc(cc1)C(=O)Nc2cccc(c2O)C(=O)O	1LR	3-(benzoylamino)-2-hydroxybenzoic acid
+c1cc(cnc1)CNC(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3	1LS	1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea
+Cc1c(sc(n1)NC(=O)N2CCC[C@H]2C(=O)N)c3ccnc(c3)C(C)(C)C(F)(F)F	1LT	(2s)-n~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide
+CC(C)C[C@@H](C(=O)O)O	1LU	(2s)-2-hydroxy-4-methyl-pentanoic acid
+c1csc2c1c(c3c(n2)CCCC3)N	1LW	5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine
+c1cc(n2ccnc2c1)N	1LX	imidazo[1,2-a]pyridin-5-amine
+c1cc2nccn2cc1N	1LY	imidazo[1,2-a]pyridin-6-amine
+c1c[nH]c2c1ncc(c2)CO	1LZ	1h-pyrrolo[3,2-b]pyridin-6-ylmethanol
+C=CC[C@H](COc1ccc(cc1)c2nc3ccccc3n2Cc4ccccc4)n5c6ccccc6nc5c7ccccc7	1M0	1-benzyl-2-(4-{[(2r)-2-(2-phenyl-1h-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1h-benzimidazole
+c1ccc2c(c1)-c3nc4ccccc4n3[C@@H](N2)c5ccccn5	1M1	(6r)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
+CNc1[nH]c2ccccc2n1	1M2	n-methyl-1h-benzimidazol-2-amine
+Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C	1M3	n-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide
+CC1(C[C@@]2(c3cc(ccc3O1)Br)C(=O)N(C(=N2)N)C)C	1M4	(4r)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'h)-one
+CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)Cl)C(=O)N(C(=N2)N)C)C	1M5	(4r)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'h)-one
+CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)C#N)C(=O)N(C(=N2)N)C)C	1M6	3-[(4r)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile
+CC1(Cc2ccc(cc2[C@]3(C1)C(=O)N(C(=N3)N)C)c4cncnc4)C	1M7	(4r)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'h-spiro[imidazole-4,1'-naphthalen]-5(1h)-one
+Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4	1M8	5-(2-chlorophenyl)-n-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
+CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3C(F)(F)F)C(C)C	1M9	2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid
+[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C	1MA	6-hydro-1-methyladenosine-5'-monophosphate
+c1cc(c(nc1)Oc2ccc3c(c2)C(=O)N=CN3Cc4ccc(cc4F)F)C(F)(F)F	1MB	1-(2,4-difluorobenzyl)-6-{[3-(trifluoromethyl)pyridin-2-yl]oxy}quinazolin-4(1h)-one
+CN1C=CC(=NC1=O)N	1MC	1-methylcytosine
+Cc1c(c(c2c(n1)CN(C2=O)CC(=O)N(C)C)c3ccc(cc3Cl)Cl)CN	1MD	2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-n,n-dimethylacetamide
+CC([C@H](C(=O)O)N)SC	1ME	(2s)-2-amino-3-methylsulfanyl-butanoic acid
+c1ccc(cc1)Oc2ccc(cc2)c3ccc(cc3)COc4ccccc4CCN(CCCCC(=O)O)Cc5ccc(cc5)C(=O)O	1MF	4-{[(4-carboxybutyl)(2-{2-[(4'-phenoxybiphenyl-4-yl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid
+CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C1N	1MG	1n-methylguanosine-5'-monophosphate
+c1cc(cnc1)C[C@@H](C(=O)O)N	1MH	3-pyridin-3-yl-l-alanine
+C(CO)C(CO)CO	1MI	2-(hydroxymethyl)butane-1,4-diol
+c1c[nH]c2c1ncc(c2)C=O	1MJ	1h-pyrrolo[3,2-b]pyridine-6-carbaldehyde
+CC(C)C12=CC=C([Os]1([N]3=C(C=CC=C3)C(=S)Nc4ccc(cc4)F)Cl)(C=C2)C	1MK	chlorido(eta-6-p-cymene)(n-fluorophenyl-2-pyridinecarbothioamide)osmium(ii)
+CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC)C(C)C	1ML	5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid
+Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC	1MM	methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate
+CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Br)c4ccc(cc4)Br	1MN	(2s,5r,6s)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
+CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Cl)c4ccc(cc4)Cl	1MO	(2s,5r,6s)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one
+C/C=C/[C@H](C(=O)O)N1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccc(cc2)F)c3ccc(cc3)Cl)c4ccc(cc4)Cl	1MQ	(2r,3e)-2-[(2s,3r,6s)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid
+CNc1ccccc1	1MR	n-methylaniline
+Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-]	1MS	n-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide
+CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NCCN)c4cccc(c4F)Cl	1MT	(2's,3r,4's,5'r)-n-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
+c1cc(ccc1CCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O	1MU	3-{[2-(4-carboxyphenyl)ethyl]sulfamoyl}thiophene-2-carboxylic acid
+Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O	1MV	({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)
+c1cc(ccc1CCCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O	1MW	3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid
+c1ccc(cc1)NC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N	1MX	2-amino-4-oxo-n-{2-[(phenylcarbamoyl)amino]ethyl}-3,4-dihydropteridine-7-carboxamide
+CC[C@@H](CO)N1[C@@H]([C@@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	1MY	{(2s,5r,6s)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2s)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
+Cn1cc[nH+]c1	1MZ	1-methylimidazole
+[H]/N=C(/N)\Nc1ccc(cc1)N[C@H]2C[C@H]([C@@H](C[C@@H]2Oc3ccc(cc3)N/C(=N\[H])/N)Oc4ccc(cc4)N/C(=N/[H])/N)N/C(=N/[H])/N	1N	1-[(1~{r},2~{r},4~{s},5~{s})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
+C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O	1N0	1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl	1N1	n-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide
+C1CC(=O)N(C1=O)CCN2C(=O)CCC2=O	1N2	1,1'-ethane-1,2-diyldipyrrolidine-2,5-dione
+COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4(CC4)CN	1N3	1-(aminomethyl)-n-(3-{[6-bromo-2-(4-methoxyphenyl)-3h-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide
+CCCc1cnn(c1[C@H](C(=O)O)N)O	1N4	(2r)-amino(1-hydroxy-4-propyl-1h-pyrazol-5-yl)ethanoic acid
+C(C[C@@H](C[C@H](C(=O)O)O)O)CO	1N5	(2r,4s)-2,4,7-trihydroxyheptanoic acid
+c1cc(cc(c1)Nc2c3c(nc(n2)NC4CCC(CC4)N)C=CNC3=O)C(F)(F)F	1N6	2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6h)-one
+C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	1N7	chapso
+CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c2ccc(c(c2)c3ccc4c(c3)cnc(n4)NC)C)C(F)(F)F	1N8	n-{2-[(n,n-diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
+Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C	1N9	2,6-dimethylphenyl 2-(3,5-dimethoxy-4-(3-(4-methylpiperazin-1-yl)propoxy)phenylamino)pyrimidin- 4-yl(2,4-dimethoxyphenyl)carbamate
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O	1NA	n-acetyl-o-methyl-d-glucosamine
+C=CC[C@@H](C=O)[C@H]1CCC[C@@H]1O	1NB	2-(2-hydroxy-cyclopentyl)-pent-4-enal
+c1cc(ccc1C(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4	1ND	1-[4-(1-pyrrolidinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole
+CN(C)C(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3	1NE	n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide
+c1cc(c(cc1n2c3c(c(n2)C(F)(F)F)CCCC3)F)CN4CCCC4=O	1NF	n,n-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]benzamide
+c1cc(ccc1CC(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4	1NG	1-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-( trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole
+C/C(=C\CO[P@](=O)(O)OP(=O)(O)O)/CC\C=C(/C)\COCc1cccc(c1)C(=O)c2ccccc2	1NH	(2e,6e)-8-[(3-benzoylbenzyl)oxy]-3,7-dimethylocta-2,6-dienyl trihydrogen diphosphate
+CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O	1NI	4-[2-(2-acetylamino-3-naphthalen-1-yl-propionylamino)-3-methyl-butyrylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide
+[H]/N=C(\c1ccc(cc1)NC(=O)c2c(ccc(n2)OC)c3ccc(cc3C(=O)O)C(=O)N[C@H](CO)C(C)(C)C)/N	1NJ	2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
+CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc4c(c3)ccnc4N)OC	1NK	2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
+CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3cccc(c3)C(=O)N)OC	1NL	2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2s)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
+COc1ccc(cc1OCCF)c2nc(cs2)CSc3nc(cc(n3)N)N	1NM	2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
+CCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N	1NN	2-[({5-ethyl-2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
+Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N	1NO	2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine
+c1ccc2c(c1)cccc2O	1NP	1-naphthol
+CCNC(=O)c1ccc(s1)C(=O)NCCC2CCN(CC2)c3c4c(cc(s4)C(=O)N)ncn3	1NQ	n-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-n'-ethylthiophene-2,5-dicarboxamide
+CC(C)(C)C(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2	1NR	4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
+CS(=O)(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2	1NS	4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[C@@](C(=O)O)(O)OP(=O)(O)O	1NT	(2r,4r,5r,6r,7r)-2,4,5,6,7-pentahydroxy-2,8-bis(phosphonooxy)octanoic acid
+c1ccc(c(c1)C(F)(F)F)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F	1NU	1-(2,4,6-trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]quinazolin-4(1h)-one
+c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)N	1NV	3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-2-(trifluoromethyl)benzamide
+c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)C(=O)Nc5cccnc5	1NW	3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-n-(pyridin-3-yl)-2-(trifluoromethyl)benzamide
+C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)[C@@H](CC5)NC(=O)C	1NX	2-[[(3r)-3-acetamido-2,3-dihydro-1h-inden-5-yl]oxy]-n-[(1s)-1-cyclopropylethyl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CC1(CC=C(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4ccccc4)C	1NY	4-{[(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)carbonyl]amino}benzoic acid
+c1cc(c(c(c1)Oc2ccc3c(c2)C(=O)N=CN3Cc4c(cc(cc4F)F)F)C(F)(F)F)c5nc6c(o5)cccn6	1NZ	6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1h)-one
+c1ccnc(c1)c2cccc(c2C(F)(F)F)Oc3ccc4c(c3)C(=O)N=CN4Cc5c(cc(cc5F)F)F	1O0	6-[3-(pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1h)-one
+Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccc(cc3)C(=O)O	1O1	5-(4-carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid
+CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\CCCCCCCC	1O2	(2s)-3-(alpha-d-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9z)-octadec-9-enoate
+c1ccc(cc1)Oc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc(cc3F)Br	1O3	2-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid
+c1cc2cc[n+](cc2c(c1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1O4	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CCOc1cc2c(cc1c3cnn(c3)C)[nH]nc2c4ccc(c(c4)S(=O)(=O)N)C	1O5	5-[5-ethoxy-6-(1-methyl-1h-pyrazol-4-yl)-1h-indazol-3-yl]-2-methylbenzenesulfonamide
+CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3)C(C)C	1O6	2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid
+CCOc1ccc2c(c1)-c3ccsc3NC2=O	1O7	8-ethoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
+C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCc2c1cccc2	1O8	(2e,4e,6z,8e)-8-(3,4-dihydronaphthalen-1(2h)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid
+CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)c4cnccn4)C(=O)O	1O9	(4s,5r)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-l-proline
+c1cc(ccc1NC(=O)c2cnn3c2nc(cc3O)C4CCNCC4)F	1OA	n-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1cc(ccc1Cc2cc(n3c(n2)c(cn3)C(=O)Nc4ccc(cc4)F)O)C#N	1OB	5-(4-cyanobenzyl)-n-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(c(c1)c2cc3c(c[nH]c3nc2)NC(=O)c4cnn5c4nc(cc5)NC[C@H]6CCNC[C@@H]6F)F	1OC	n-[5-(2-fluorophenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3r,4r)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCCNC(=O)c3cccc(c3O)O)CCCNC(=O)c4cccc(c4O)O	1OD	(4s,5r)-n,n-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
+c1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl	1OE	2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid
+c1c[n+](cc2c1C=CNC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1OF	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{h}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate
+CC(=O)OC/C/1=C(/N=C\[C@H]([C@@H](S(=O)(=O)C1)C(=O)OC(C)(C)C)C=O)\C(=O)O	1OG	 7-alkylidenecephalosporin dcm-1-10, bound form 
+CC(C)(c1ccccc1)c2ccc(cc2)O	1OH	4-(1-methyl-1-phenylethyl)phenol
+COc1ccc2c(c1)-c3ccsc3NC2=O	1OI	8-methoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2cccc(c2)S(=O)(=O)N)Nc3ccc4cnccc4c3	1OJ	(2r)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-n-[(3-sulfamoylphenyl)sulfonyl]ethanamide
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2ccccc2)Nc3ccc4c(c3)ccnc4N	1OK	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(phenylsulfonyl)ethanamide
+C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O	1OL	(2r,4s,5s)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
+CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)O	1OM	4-{bis[4-(dimethylamino)phenyl]methyl}phenol
+c1ccc2c(c1)CCC2=O	1ON	2,3-dihydro-1h-inden-1-one
+c1cc(ccc1C(F)(F)F)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)Cl)F	1OO	n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide
+c1cc(ccc1C[C@@H](C(=O)O)N)OCCCCCO	1OP	o-(5-hydroxypentyl)-l-tyrosine
+c1cc(nc(c1)C(F)(F)F)[C@@H](C#N)c2ccc(cc2)F	1OQ	(2s)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile
+CCCN(CCC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O	1OR	(2r,4ar,6r,7r,7as)-6-[6-(dipropylamino)-9h-purin-9-yl]tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
+[H]/N=C(\c1ccc(cc1)[C@H](N)P(=O)(O)O)/N	1OS	[(r)-amino(4-carbamimidoylphenyl)methyl]phosphonic acid
+c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O	1OT	{(r)-amino[4-(1h-pyrazol-1-yl)phenyl]methyl}phosphonic acid
+[H]/N=C(/N)\Nc1ccc(cc1)[C@H](N)P(=O)(O)O	1OU	[(r)-amino(4-carbamimidamidophenyl)methyl]phosphonic acid
+[H]/N=C(/N)\NCCC[C@H](N)P(=O)(O)O	1OV	[(1r)-1-amino-4-carbamimidamidobutyl]phosphonic acid
+c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3	1OX	2-(1h-benzimidazol-1-ylmethyl)-4h-pyrido[1,2-a]pyrimidin-4-one
+CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2F)Cl)(C#N)c3ccc(cc3F)Cl	1OY	(3s,4r,5s)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-n-[(3s)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-d-prolinamide
+CN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5	1OZ	n-[(3s)-1-methyl-2-oxidanylidene-5-phenyl-3h-1,4-benzodiazepin-3-yl]-1h-indole-2-carboxamide
+c1c(nnn1CCO)CN(Cc2cn(nn2)CCO)Cc3cn(nn3)CCO	1P0	2,2',2''-[nitrilotris(methanediyl-1h-1,2,3-triazole-4,1-diyl)]triethanol
+Cn1cc2cc1C(=O)NCC[C@H](C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NCC[C@H](C(=O)Nc7cn(c(n7)C(=O)Nc8cn(c(n8)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)C)N)C)C)N	1P1	(22r,51r)-22,51-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,6 5-docosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10( 65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone
+Cn1cc2cc1C(=O)NC[C@@H](CC(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)NC[C@@H](CC(=O)Nc7cn(c(n7)C(=O)Nc8cc(n(c8)C)C(=O)Nc9cc(n(c9)C)C(=O)N2)C)N)C)N	1P2	(23r,52r)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone
+C[C@@H]1CCCN(C1)C(=O)C	1P3	(3r)-1-acetyl-3-methylpiperidine
+c1c(nnn1CCCO)CN(Cc2cn(nn2)CCCO)Cc3cn(nn3)CCCO	1P4	3,3',3''-[nitrilotris(methanediyl-1h-1,2,3-triazole-4,1-diyl)]tripropan-1-ol
+CCN(CC)C(=O)[C@H]1CCC[N@@](C1)c2cc(ncn2)c3c(nn4c3nccc4)N	1P5	(3s)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-n,n-diethylpiperidine-3-carboxamide
+C[C@@H](c1ccc(cc1)F)Nc2cc(ncn2)c3c(nn4c3nccc4)N	1P6	3-(6-{[(1s)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
+c1cc2c(cc1Cl)C(=O)NC2	1P7	6-chloro-2,3-dihydro-1h-isoindol-1-one
+c1cc2c(cc1Br)NC(=O)C2	1P8	6-bromo-1,3-dihydro-2h-indol-2-one
+CCC[C@@H](CC(=O)O)N1c2ccccc2N(C1=O)Cc3cc(cc4c3CC(=O)N4)Br	1P9	(3s)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1h-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl}hexanoic acid
+c1cc(ccc1C[C@@H](C(=O)O)N)CC(=O)O	1PA	4-(carboxymethyl)-l-phenylalanine
+c1ccc(cc1)CC\C=C\c2ccccc2	1PB	1,4-diphenyl-2-butene
+c1ccc(cc1)C2(CCCCC2)N3CCCCC3	1PC	1-(phenyl-1-cyclohexyl)piperidine
+CC(C)CCN1C(=O)C(=C(C(=N1)c2cncs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N	1PD	2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothia diazin-7-yl}oxy)acetamide
+C(COCCOCCOCCOCCO)O	1PE	pentaethylene glycol
+CN1CCC(CC1)Oc2ccc(cc2)c3c4c(cccc4OCC5CCCCC5)n[nH]3	1PF	4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2h-indazole
+COCCOCCOCCOCCOCCO	1PG	2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol
+c1ccc(cc1)CC(=O)Nc2ccc3c(c2)c([nH]n3)c4cccc(c4)S(=O)(=O)N	1PH	2-phenyl-n-[3-(3-sulfamoylphenyl)-2h-indazol-5-yl]acetamide
+[H]/N=C(/N)\N1CCC[C@@H](C1)C[C@@H](C=O)N	1PI	(3r)-3-[(2s)-2-amino-3-oxopropyl]piperidine-1-carboximidamide
+COc1ccc(cc1)C2(CC2)C(=O)O	1PJ	1-(4-methoxyphenyl)cyclopropanecarboxylic acid
+c1cc2cccc3c2c(c1)NC(=N3)N	1PK	1h-perimidin-2-amine
+C[C@H]1CC[C@H]2[C@@]13CC(C[C@@H]3C=C2C(=O)O)(C)C	1PL	(1s,3as,5ar,8as)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid
+COC(=O)N1CCN([C@H](C1)CC(=O)NCc2ccc3c(c2)OCO3)c4ccnc(n4)n5ccnc5	1PM	methyl (3s)-3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
+C[C@H]([C@@H](C=O)[C@H]1NC(=CS1)C(=O)OCC=C)OC(=O)C	1PN	prop-2-en-1-yl (2s)-2-[(2s,3r)-3-(acetyloxy)-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate
+C[C@H]1CO[C@@H](O[C@@H]1[C@@H](C)[C@H]([C@@H](C)/C=C/C(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)c2ccc(cc2)OC	1PO	n-{(1e,4r,5r,7e,9s,10s,11s)-4,10-dimethoxy-11-[(2s,4s,5s)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5,9-dimethyl-6-oxododeca-1,7-dien-1-yl}-n-methylformamide
+CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3cccc(c3Cl)Cl	1PP	1-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea
+C[C@@H](CCCN)Nc1cc(cc2c1nccc2)OC	1PQ	(4s)-n~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NCNCC([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)N	1PR	phosphoric acid mono-[5-({[5-carbamoyl-3-(5-phosphonooxy-5-deoxy-ribofuranosyl)- 3h-imidazol-4-ylamino]-methyl}-amino)-2,3,4-trihydroxy-pentyl] ester
+c1cc[n+](cc1)CCCS(=O)(=O)[O-]	1PS	3-pyridinium-1-ylpropane-1-sulfonate
+C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2	1PT	cyclohexane-1(r),2(r)-diamine-platinum(ii)
+c1ccnc(c1)NC(=O)Nc2cccc3c2[C@H]4CCCN4C3=O	1PU	1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-pyridin-2-yl-urea
+B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O	1PV	[4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O	1PW	(2s,3r,4e)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
+CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	1PX	(2s,3r,4e)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
+c1ccc(cc1)CC(=O)C(=O)O	1PY	2-oxo-3-phenylpropionic acid
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O	1PZ	(2s,3r,4e)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
+CCCCCCCCCCCCCC=CC([C@H](COP(=O)(O)O)NC(=O)CCCCCCCC=CCCCCCCCC)O	1Q0	(2s,3r,4z)-3-hydroxy-2-[(9e)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate
+CC(=O)C[C@@H]1CC(=NO1)c2ccc(c(c2)F)O	1Q1	1-[(5s)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one
+[H]/N=C(/C[C@H](CC(=O)C)O)\c1ccc(c(c1)F)O	1Q2	(4r,6z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one
+c1c(cn[nH]1)c2nc3c(c(n2)N[C@H]4CCC[C@H]4C#N)CC=NC3=O	1Q3	(1r,2s)-2-{[8-oxo-2-(1h-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile
+c1nc2c(c(n1)NC3CCCCC3)C=CNC2=O	1Q4	4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7h)-one
+CCC(CC)Nc1cc(nc(c1C)Oc2c(cc(cc2C)C)C)C	1Q5	3,6-dimethyl-n-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
+Cc1cc(nc(c1)N)COC[C@H](CN)OCc2cc(cc(n2)N)C	1Q6	6,6'-{[(2s)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)COC[C@@H](CN)OCc2cc(cc(n2)N)C	1Q7	6,6'-{[(2r)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
+c1ccc(cc1)C(=O)NCO	1Q8	n-(hydroxymethyl)benzamide
+CCOc1c(cc(cc1CNc2[nH]nnn2)C)C	1Q9	n-(2-ethoxy-3,5-dimethylbenzyl)-1h-tetrazol-5-amine
+c1ccc(cc1)[C@@H](C(=O)O)NC(=O)Cc2csc(n2)c3c(cc(cn3)C#N)O	1QA	(2s)-({[2-(5-cyano-3-hydroxypyridin-2-yl)-1,3-thiazol-4-yl]acetyl}amino)(phenyl)ethanoic acid
+CC(=O)NC1=CCC2=C(C1)CC=C2	1QB	n-(4,7-dihydro-1h-inden-6-yl)acetamide
+CCCc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)CSc3nc(cc(n3)N)N	1QC	n-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide
+c1cc2c[n+](ccc2c(c1)I)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1QD	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+[H]/N=C(\Nc1cc(ccc1)CCc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4	1QE	n,n'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide
+[H]/N=C(\c1cccs1)/Nc2ccc(cc2)CCN(CC)Cc3cccc(c3)N/C(=N/[H])/c4cccs4	1QF	n-(4-{2-[ethyl(3-{[(e)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
+Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)[C@H]4COCCN4	1QG	(3s)-3-{4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridin-2-yl}morpholine
+CC(C)[C@@H]([C@H](C[C@@H](Cc1ccccc1)C(=O)O)O)N	1QI	(2r,4s,5s)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid
+c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)CO)F	1QJ	{4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridin-2-yl}methanol
+CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO	1QK	3-[({3-ethyl-5-[(2s)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium
+CO[C@@](C=O)([C@@H]1NC(=C(CS1)COC(=O)N)C(=O)O)NC(=O)Cc2cccs2	1QL	(2r)-5-[(carbamoyloxy)methyl]-2-{(1s)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3OCCNC4	1QM	9-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine
+CNCc1cc(ccn1)c2cn(nc2c3ccc(cc3)F)C	1QN	1-{4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]pyridin-2-yl}-n-methylmethanamine
+c1ccc(cc1)CNc2nccc(n2)c3cccnc3	1QO	n-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine
+CCOC(=O)c1cnn2c1cccc2	1QP	ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
+CC[C@H](C)C(=O)C(=O)O	1QQ	(3s)-3-methyl-2-oxopentanoic acid
+c1cc(ccc1CNC(=O)c2cc3cnccc3[nH]2)S(=O)(=O)N4CCCCC4	1QR	n-[4-(piperidin-1-ylsulfonyl)benzyl]-1h-pyrrolo[3,2-c]pyridine-2-carboxamide
+c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F	1QS	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide
+CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCCC(=O)N4)O	1QT	(3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one
+c1ccc(cc1)C[C@@H]([C@@H](CNCc2cccc(c2)C(F)(F)F)O)NC(=O)C3=CN(C(=O)C(=C3)N4CCCC4=O)C5CCCC5	1QU	1-cyclopentyl-n-[(2s,3r)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide
+c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F	1QV	4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide
+CCCCCCCCCCCC(=O)OC[C@@H](CO)O	1QW	(2r)-2,3-dihydroxypropyl dodecanoate
+CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O	1QX	dodecyl hydrogen (s)-(3-azidopropyl)phosphonate
+CCCCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])O	1QY	tetradecyl hydrogen (r)-(3-azidopropyl)phosphonate
+CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3cccc4c3ccnc4	1QZ	6-ethyl-5-{(3s)-3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3cccc4c3ccnc4	1R0	6-ethyl-5-{3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
+CCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O	1R1	hexadecyl hydrogen (r)-(3-azidopropyl)phosphonate
+c1cc(cc(c1)Oc2cc(cc(c2)O)C(=O)O)[N+](=O)[O-]	1R2	3-hydroxy-5-(3-nitrophenoxy)benzoic acid
+CCCCCCCCCS(CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)(O)O	1R3	n-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1cc(ccc1C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	1R4	l-gamma-glutamyl-s-[2-(4-nitrophenyl)-2-oxoethyl]-l-cysteinylglycine
+c1cc(ccc1c2ccc3c(c2)NC(=O)C(=C3)O)F	1R5	7-(4-fluorophenyl)-3-hydroxyquinolin-2(1h)-one
+CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCN6C=C(C=CC6=O)C(=O)N4)O	1R6	(12s)-12-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione
+c1cc(ccc1CNC(=O)n2cc3ccncc3c2)S(=O)(=O)C4CCN(CC4)C5CCOCC5	1R7	n-(4-{[1-(tetrahydro-2h-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2h-pyrrolo[3,4-c]pyridine-2-carboxamide
+CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCC(=O)N4)O	1R8	(3s)-3-[(1r)-2-{[(4s)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one
+Cc1ccc(cc1NC(=O)c2cnc(s2)c3ccccc3Cl)C(=O)NC4CC4	1R9	2-(2-chlorophenyl)-n-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
+CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4	1RA	ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1h-indole-1-carboxylate
+c1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	1RB	1-alpha-d-ribofuranosyl-benzimiazole-5'-phosphate
+CCNC(=O)[C@H]1c2ccccc2CN1C(=O)c3cc(c(cc3O)O)Cl	1RC	(1r)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-n-ethyl-2,3-dihydro-1h-isoindole-1-carboxamide
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NCCCCNC(=O)OCc2cncs2	1RD	n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-l-valinamide
+CC(C)CCOc1cc(ccc1C#N)Nc2nc(nc(n2)OCCN3CCOCC3)OC	1RE	4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile
+C(COCCO[V](O)(O)(O)O)O	1RF	vanadium(5+) hydroxide 2-(2-hydroxyethoxy)ethanolate (1:4:1)
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@H](C=O)[C@@H](C)O	1RG	(4r,5s)-3-({(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid
+C[C@@H](C(=O)N[C@H]1CN(c2ccccc2N(C1=O)Cc3c4ccccc4ccc3OC)C(=O)c5ccc(cc5)N)NC	1RH	n-{(3s)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepin-3-yl}-n~2~-methyl-l-alaninamide
+c1ccc(cc1)Oc2cccc(c2)C(=O)N/N=C/c3ccc(o3)Sc4ncccn4	1RI	3-phenoxy-~{n}-[(~{e})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
+C[C@@H](C(=O)N[C@@H]1C(=O)N(c2ccccc2OC13CCOCC3)Cc4c5ccc(cc5ccc4OC)C(=O)O)NC	1RK	6-methoxy-5-({(3s)-3-[(n-methyl-l-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5h-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid
+CCN(CC)CCOc1cccc2c1N=C3c4c5c(c(c6c4C(=O)[C@](O6)(O/C=C/C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C3O2)C5=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O	1RL	benzoxazinorifamycin-2b
+Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)NC(=C5C3=Nc6c(cccc6OCCCCN7CCN(CC7)CCn8ccnc8)O5)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O	1RM	benzoxazinorifamycin-2c
+C1=C(C(=O)NC(=S)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/C=N/CC(=O)O	1RN	(e)-n-{[4-oxo-1-(5-o-phosphono-beta-d-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methylidene}glycine
+c1cc2cc(ccc2nc1)/C=C/3\C(=O)N=C(S3)NCc4cccs4	1RO	(5e)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5h)-one
+C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N)F	1RP	6-fluoro-3-oxo-4-(5-o-phosphono-beta-d-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide
+c1ccc2cc(ccc2c1)c3nc4ccc(cc4n3c5ccnc(n5)N[C@@H]6CCCN(C6)C(=O)C7CC7)O	1RQ	cyclopropyl[(3r)-3-({4-[6-hydroxy-2-(naphthalen-2-yl)-1h-benzimidazol-1-yl]pyrimidin-2-yl}amino)piperidin-1-yl]methanone
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)O)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)NC(C)(C)C	1RR	n-(tert-butylcarbamoyl)-3-methyl-l-valyl-(4r)-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-prolinamide
+c1c[nH]c2c1c3c(cn2)ncn3C4CCNCC4	1RS	1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
+C1=C(C(=NC(=O)N1)N)C(=O)O	1RT	4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid
+C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2c3c(cnc2N)c(co3)c4cnn(c4)C5CCNCC5	1RU	7-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine
+c1csc(c1C(=O)N)NC(=O)CSc2[nH]ncn2	1RV	2-{[(1h-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F	1RY	[[(2r,5s)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	1RZ	lamivudine triphosphate
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	1S0	4-amino-1-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-l-erythro-pentofuranosyl}pyrimidin-2(1h)-one
+CCC(CC)(C#N)Nc1nc(nc(n1)n2cncn2)NC	1S1	2-ethyl-2-{[4-(methylamino)-6-(1h-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile
+Cc1c(c(nn1C)c2cc(nc(n2)N)Cl)Cc3ccccc3	1S2	4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine
+C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OP(=O)(O2)O)O)O)O	1S3	(2r,3ar,5r,6s,7s,7ar)-5-(hydroxymethyl)tetrahydro-3ah-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N	1S4	alpha-muramic acid
+CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N	1S5	5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium
+Cc1c(c(no1)c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	1S6	(2r,4s)-5,5-dimethyl-2-[(1r)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid
+CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)Cc2cccs2	1S7	(2r)-2-{(1s)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+COc1cc2c(cc1O)nc(nc2Nc3ccc(cc3)NC(=O)c4ccccc4)Cc5ccccc5	1S8	n-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide
+COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4	1S9	[(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid
+c1(nnc(s1)S(=O)(=O)N)N	1SA	5-amino-1,3,4-thiadiazole-2-sulfonamide
+COc1cccc(c1)CC(=O)N/N=C/c2ccc(cc2)O	1SB	n'-[(1e)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)S)O)O	1SC	5'-o-thiophosphonocytidine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)O)O)O)O	1SD	(1s)-1,5-anhydro-1-sulfamoyl-d-galactitol
+c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O	1SE	n-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide
+c1cc(cc(c1)[N+](=O)[O-])N2CCC(=O)NC2=O	1SF	1-(3-nitrophenyl)dihydropyrimidine-2,4(1h,3h)-dione
+COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O	1SG	n-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide
+CNCCOP(=O)(O)O	1SH	2-(methylamino)ethyl dihydrogen phosphate
+c1ccnc(c1)Sc2ccc(o2)/C=N/NC(=O)c3cccc(c3)F	1SI	3-fluoranyl-~{n}-[(~{e})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
+[H]/N=C(\N)/N[C@H]1C=C(C[C@H]([C@@H]1NC(=O)C)OC(CC)CC)C(=O)O	1SJ	(3s,4r,5r)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CCCO)C(=O)O	1SL	(3s,4r,5r)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1h-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)C	1SM	methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate
+CC[C@H](c1cn(nn1)[C@H]2C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O)O	1SN	(3s,4r,5r)-4-(acetylamino)-3-{4-[(1r)-1-hydroxypropyl]-1h-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)C(C)(C)O)C(=O)O	1SO	(3s,4r,5r)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1h-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+CCC[C@@H](CO)O	1SP	(2s)-pentane-1,2-diol
+c1ccc2c(c1)ccnc2N	1SQ	isoquinolin-1-amine
+CC(=C)[C@H]1CC[C@]2(CCC[NH+]([C@@H]2C1)C)C	1SS	(1r,4as,7s,8ar)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccc(cc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)O)NC)OC	1ST	(5s,6r,7r,9r)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5h,14h-5,9-epoxy-4b,9a,15-triazadibenzo[ b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
+c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5	1SU	n-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide
+CC(=C)[C@H]1CC[C@]2(CCC[NH+]=C2C1)C	1SV	(4as,7s)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium
+c1cc(cc(c1)NC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5)C(F)(F)F	1SW	n-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide
+CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3n2CCS3	1SX	4-tert-butyl-n-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N	1SY	cgamp
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cc(n(c5)C)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCCN(C)C)C	1SZ	n-[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxamide
+CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4	1T4	n-(pyren-1-yl)acetamide
+[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cc(cc(c3)NC(=O)CC(C)C)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)\N	1T5	3'-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid
+[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cccc(c3)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)\N	1T6	5-aminocarbonyl-2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]phenyl]benzoic acid
+[H]/N=C(\c1ccc2c(c1)[C@H](C[C@H](N2)c3cc(cc(c3)N)c4ccccc4C(=O)O)c5ccccc5)/N	1T7	3'-amino-5'-[(2s,4r)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid
+CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccnc4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	1T8	methyl [(2s)-1-(2-{3-[(3r,6s,10z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCC)O	1T9	(2s,3r,4e)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate
+C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O	1TA	triamcinolone acetonide
+Cc1nc(nc(n1)OC)N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC	1TB	methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate
+Cc1ncc(o1)C(=O)Nc2ccc(c(c2)Cl)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC	1TC	n-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide
+c1ccc2c(c1)/C(=C\c3cccc(c3)C(=O)O)/C(=O)N2	1TD	3-[(e)-(2-oxidanylidene-1h-indol-3-ylidene)methyl]benzoic acid
+C[C@@H]1[C@@H]2[C@H](C(=O)N2[C@H]([C@@H]1SC3CN(C3)c4nccs4)C(=O)O)[C@@H](C)O	1TE	tebipenem
+c1ccc(cc1)C2=NNC(=S)N2CCSCc3ccc(cc3)F	1TH	4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1h-1,2,4-triazole-5-thione
+Cc1cc2c(c(c1)O)C3=C(C(=O)C2)C(=O)c4c(cccc4O)C3=O	1TJ	1,8-dihydroxy-3-methyltetraphene-6,7,12(5h)-trione
+C[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	1TL	1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione
+c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3)O)O	1TM	4,4'-(3-amino-1h-pyrazole-4,5-diyl)diphenol
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-]	1TN	5-hexyl-2-(2-nitrophenoxy)phenol
+Cc1ncc(c(n1)N)C[N@@]2C([C@@H](S[C@@H]2[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O)C	1TP	1-(2-{(2s,4r,5r)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1s)-1-carboxy-1-hydroxyethyl]-4-methyl-1,3-thiazolidin-5-yl}ethoxy)-1,1,3,3-tetrahydroxy-1lambda~5~-diphosphox-1-en-2-ium 3-oxide
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NC=O	1TQ	6-(formylamino)-7-hydroxy-l-tryptophan
+CN(C)Cc1ccn2c(c1)nc(c2c3ccnc(n3)N)c4ccc(cc4)F	1TR	4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)NCc3ccc(cc3)C#N)NS(=O)(=O)c4ccc(c(c4)Cl)OC)\N	1TS	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2s)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide
+C[C@@H]1COCCN1C2=NC3N(CC[C@H](N3Cc4cc(cnc4)Cl)C(F)(F)F)C(=O)C2	1TT	(8s)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3r)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3h-pyrimido[1,2-a]pyrimidin-4-one
+Cc1nc(c(n1C)O)Cc2cc(c(c(c2)F)O)F	1TU	4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1h-imidazol-5-ol
+C[Se][C@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O	1TW	2-amino-9-(2-se-methyl-5-o-phosphono-2-seleno-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one
+COC(=O)CCCC[C@@H](C(=O)O)N	1TX	(2s)-2-amino-7-methoxy-7-oxoheptanoic acid
+c1ccc(cc1)CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N	1TY	3-{(3e)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}alanine
+Cc1cc(c(c(c1)C)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C	1TZ	(2s)-2-azanyl-3-(3h-indol-3-yl)-n-[(e)-(2,4,6-trimethylphenyl)methylideneamino]propanamide
+Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](CO)O)CCOP(=O)(O)OP(=O)(O)O	1U0	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate
+c1c(c(sc1Cl)C(=O)O)S(=O)(=O)N	1U1	5-chloro-3-sulfamoylthiophene-2-carboxylic acid
+[H]/N=C(/c1ccc2cc(ccc2c1)NC(=O)Nc3ccccc3)\N	1U2	6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide
+Cc1c(c(no1)c2ccccc2Cl)C(=O)NCC(=O)O	1U3	n-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)N[P@](=O)(CNC(=O)OCc2ccccc2)O	1U4	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-phenylalanyl-l-leucine
+C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)O	1U5	(1r,4s)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
+CCN1C(=O)CC(=O)N(C1=S)CC	1U6	1,3-diethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
+c1ccc(cc1)[C@]2(CCN[C@@H]3[C@@H]2CCCC3)O	1U7	(4r,4as,8as)-4-phenyldecahydroquinolin-4-ol
+Cc1cccc(c1C(=O)OCC(=O)[C@H](CC(=O)O)N)C	1U8	(3s)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid
+[H]/N=C(/c1ccc2cc(ccc2c1)/C=C/c3cccc(c3)CCO)\N	1U9	6-{(e)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide
+Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2	1UA	2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4h-cyclopenta[d]pyrimidin-4-one
+C(=C/C(=C(/C(=O)O)\N)/C(=O)O)C=O	1UC	(2e)-2-amino-3-[(1e)-3-oxoprop-1-en-1-yl]but-2-enedioic acid
+CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)OC)N=C(NC3=O)N	1UD	methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-3-o-methyl-beta-d-ribo-hexofuranoside
+c1ccc(cc1)Sc2cccc3c2c4c([nH]3)N=C(NC4=O)N	1UE	2-amino-5-(phenylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-b]indol-4-one
+Cc1c(c2c([nH]1)N=C(NC2=O)N)Sc3ccc(c(c3)Cl)C(=O)NC(CCC(=O)O)C(=O)O	1UF	n-{4-[(2-amino-6-methyl-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-chlorobenzoyl}-l-glutamic acid
+c1ccc2c(c1)cccc2Sc3cccc4c3c5c([nH]4)N=C(NC5=O)N	1UG	2-amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4h-pyrimido[4,5-b]indol-4-one
+c1cc2ccsc2c(c1)c3cc4c(cnc(c4o3)N)c5cnn(c5)C6CCNCC6	1UH	2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine
+CC(=O)Nc1nc2ccc(cc2s1)C(=O)OC	1UJ	methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate
+CC(=O)Nc1cn2cc(ccc2n1)c3cc(c(nc3)N)C(F)(F)F	1UK	n-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide
+CC(=O)N1CCC(CC1)n2cc(cn2)c3cnc(c4c3cc(o4)c5cccc6c5snn6)N	1UL	1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1h-pyrazol-1-yl}piperidin-1-yl)ethanone
+Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O	1UN	2-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl sulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide
+c1cc(c2c(c1)nns2)c3c(c4c(cnc(c4o3)N)c5cnn(c5)C6CCC(CC6)O)Cl	1UO	trans-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1h-pyrazol-1-yl}cyclohexanol
+[H]/N=C(/c1ccc2ccc(c(c2c1)OCC(=O)N)OC)\N	1UP	2-[(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxy]acetamide
+CN(C(=O)CS[C@@H](c1ccccc1)P(=O)(O)O)O	1UQ	[(s)-({2-[hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)O	1UR	4-(4-oxo-4h-chromen-2-yl)benzoic acid
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2Cl	1US	2-(2-chloranylphenoxy)-5-hexyl-phenol
+CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2	1UT	2-[4-(dimethylamino)phenyl]-4h-chromen-4-one
+c1c2c(c3c(c1F)N4CC[C@H]([C@H]4COC3)N)N(C=C(C2=O)C(=O)O)C5CC5	1UV	(3as,4r)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1h,3h-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid
+CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2	1UW	ethyl 4-(4-oxo-4h-chromen-2-yl)benzoate
+CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3nc(cc(n3)N)N	1UX	1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N	1UZ	4-(4-oxo-4h-chromen-2-yl)benzonitrile
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-]	1V0	2-(4-nitrophenyl)-4h-chromen-4-one
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Cl	1V1	2-(4-chlorophenyl)-4h-chromen-4-one
+c1cc(ccc1CCN2CC[C@@H](C[C@@H]2CO)O)Nc3nc(cs3)c4ccc(c(c4)Cl)Cl	1V2	(2r,4s)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol
+c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)Cl	1V3	6-chloro-2-phenyl-4h-chromen-4-one
+c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)F	1V4	6-fluoro-2-phenyl-4h-chromen-4-one
+c1cc(ccc1C2(CC2)NC(=O)c3ccc4c(c3)n5ccnc5c(n4)NC6CCC(CC6)O)F	1V5	n-[1-(4-fluorophenyl)cyclopropyl]-4-[(trans-4-hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-8-carboxamide
+c1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N	1V6	4-(4-benzylphenyl)-1,3-thiazol-2-amine
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc4c(c3)OCO4	1V8	2-(1,3-benzodioxol-5-yl)-4h-chromen-4-one
+CC[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1V9	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-phenylpropyl]propanamide
+c1ccc(cc1)C[C@@H](CO)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1VA	n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
+C[C@@H](c1ccc(cc1)S(=O)(=O)N)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1VB	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(4-sulfamoylphenyl)ethyl]propanamide
+COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	1VC	methyl n-[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]-l-phenylalaninate
+C[C@@H](c1ccc(cc1)n2ccnc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3	1VD	n-{(1s)-1-[4-(1h-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
+c1ccc2c(c1)[nH]c(n2)COc3cccc(c3)C(=O)c4c(non4)N	1VE	(4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1h-benzimidazol-2-ylmethoxy)phenyl]methanone
+CN1CCN(CC1)C(=O)c2ccc(cc2)C3=CC(=O)c4ccccc4O3	1VF	2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4h-chromen-4-one
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)c4[nH]nnn4	1VG	2-[4-(1h-tetrazol-5-yl)phenyl]-4h-chromen-4-one
+COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC	1VI	3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{h}-imidazol-5-yl]pyridin-2-yl]propanamide
+CCOC(=O)COc1cccc(c1)C(=O)c2c(non2)N	1VJ	ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate
+c1ccc(cc1)C(=O)c2c(non2)N	1VK	(4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone
+c1ccc2c(c1)[C@@H](C(=O)N2CN3CCN(CC3)Cc4ccc5c(c4)OCO5)O	1VL	(3s)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2h-indol-2-one
+Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N	1VM	7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
+Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4cc5c(cc4Cl)c(nc(n5)N)N	1VN	6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
+Cc1cc2c(cc1C)n(c(n2)c3cscn3)c4ccc5c(c4)nc(nc5N)N	1VO	7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1h-benzimidazol-1-yl]quinazoline-2,4-diamine
+CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc1ccccc1	1VP	n-(phenylacetyl)glycyl-n~6~-acetyl-l-lysine
+Cc1ncc(n1CCOS(=O)(=O)N)[N+](=O)[O-]	1VQ	2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl sulfamate
+CC(C)[C@@H](CC(=O)O)N	1VR	(3r)-3-amino-4-methylpentanoic acid
+CCNC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4	1VS	n-ethyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide
+c1ccc(cc1)CNCCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4	1VT	n-benzyl-2-[(n-benzyl-beta-alanyl)amino]-4-phenylthiophene-3-carboxamide
+CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	1VU	propionyl coenzyme a
+c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O	1VV	(1s,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
+c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5c6[nH]nnn6	1VW	2-{[(1s)-2-{[(1r,2s)-2-(1h-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1h-isoindole-1,3(2h)-dione
+Cc1cccc2c1CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O	1VX	(1s,2r)-2-{[(1s)-5-methyl-1-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
+CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O	1VY	1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl)-d-ribitol
+c1cc(ccc1CCN2CCCC2)N3CCC(CC3)N4CCCC4	1VZ	4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine
+c1cc(cc(c1)[C@]23CCOC[C@H]2OC(=N3)N)c4cncnc4	1W0	(3as,7ar)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4h-pyrano[4,3-d][1,3]oxazol-2-amine
+c1cc(c(nc1)N2CC[C@]3([C@@H](C2)OC(=N3)N)c4ccc(cc4F)F)C#N	1W1	2-[(3ar,7ar)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4h)-yl]pyridine-3-carbonitrile
+c1cc(c(nc1)N2CC[C@@H]3[C@](C2)(N=C(O3)N)c4ccc(cc4F)F)C#N	1W2	2-[(3as,7ar)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4h)-yl]pyridine-3-carbonitrile
+Cc1cc(cc(c1O)C)/C=C/C2=C(c3ccc(cc3OC2=O)O)C	1W3	7-hydroxy-3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2h-chromen-2-one
+Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)Sc3ccc(cc3)F	1W4	s-(4-fluorophenyl) 3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate
+c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	1W5	(1r)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol
+CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2	1W6	ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate
+Cc1ccc(cc1)CS(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C	1W7	n-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide
+CCO/N=C(/c1nc(sn1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Sc4nc(cs4)c5cc[n+](cc5)C)C(=O)O	1W8	ceftaroline
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](CO)C(=O)O)O	1W9	(2r)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid
+c1c[n+]-2c(nc([nH]c2[n+]1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)O	1WA	2-amino-8-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroxy-1h-imidazo[1,2-a][1,3,5]triazine-5,8-diium
+COc1cc(cc(c1)C(=O)O)C(=O)O	1WB	5-methoxybenzene-1,3-dicarboxylic acid
+Cc1c(cn[nH]1)c2ccccc2Cl	1WC	4-(2-chlorophenyl)-5-methyl-1h-pyrazole
+c1cc(c(nc1)C(=O)O)S	1WD	3-sulfanylpyridine-2-carboxylic acid
+C[C@@H](Cc1ccccc1)N	1WE	(2s)-1-phenylpropan-2-amine
+C[C@@H](Cc1ccc(cc1)O)NC	1WF	4-[(2s)-2-(methylamino)propyl]phenol
+C1=C(C(=O)C=C(C1=O)O)O	1WG	2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
+Cc1c(c(c2c(n1)CN(C2=O)CCOC)c3ccc(cc3Cl)Cl)CN	1WH	3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5h-pyrrolo[3,4-b]pyridin-5-one
+CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)O)N=C(NC3=O)N	1WJ	methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-2-o-methyl-beta-d-ribo-hexofuranoside
+CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)O)N=C(NC3=O)N	1WK	methyl 6-[6-amino-2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-4-yl]-5,6-dideoxy-beta-d-ribo-hexofuranoside
+c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)NO	1WL	nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n-hydroxy-l-histidinamide
+c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H]([C@H](c3ccc(cc3)O)O)C(=O)NO	1WM	(betas)-nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n,beta-dihydroxy-l-tyrosinamide
+C[C@](c1ccc(cc1)O)([C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#Cc3ccc(cc3)N)O	1WN	(betas)-nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n,beta-dihydroxy-beta-methyl-l-tyrosinamide
+CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C	1WO	(5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione
+c1cc(cc(c1)[C@]23CCCC[C@H]2OC(=N3)N)c4cc(cnc4)Cl	1WP	(3ar,7ar)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine
+C[C@H]1C(=O)Nc2cc(ccc2O1)CN3CCC(=CC3)c4ccc(cc4)Cl	1WQ	(2s)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2h)-yl]methyl}-2-methyl-2h-1,4-benzoxazin-3(4h)-one
+c1cc(cc(c1)F)Nc2c-3c(n[nH]2)CCc4c3[nH]nc4C(=O)NCCCN	1WS	n-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide
+CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCOC4=CC=[N](c5c4cccc5)O)C	1WT	11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one
+B1(c2cc(ccc2CO1)Oc3ccc(cc3F)CN)O	1WU	6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3h)-ol
+CCCCCCC=CCCCCCC(=O)OC[C@H](CO)O	1WV	(2s)-2,3-dihydroxypropyl (7z)-tetradec-7-enoate
+c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)I	1WW	{5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2F)F)Br)F)F	1WX	{2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
+CCC(=O)Nc1ccc(c(c1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl)OC	1WY	n-(3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide
+Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)O	1WZ	3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid
+C=CCCCC[C@@H](C(=O)O)N	1X0	(2s)-2-aminooct-7-enoic acid
+c1ccc2c(c1)CCN(C2)C(=O)O	1X1	3,4-dihydroisoquinoline-2(1h)-carboxylic acid
+c1ccc(cc1)CCCCCCN=C=S	1X2	6-isothiocyanatohexylbenzene
+c1ccc2c(c1)CCN(C2)C(=O)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CCCCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCC6)C(=O)NS(=O)(=O)C7CC7	1X3	(2r,6s,13ar,14ar,16as)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1h)-carboxylate
+C1C[C@H](O[C@@H]1COP(=O)(O)O)O	1X4	2,3-dideoxy-5-o-phosphono-alpha-d-ribofuranose
+CN(Cc1cccnc1)c2ccc(c(c2)C(=O)O)NC(=O)C3CC3	1X5	2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
+C([C@@H](C(=O)O)N)OC(=O)/C=C/N	1X6	o-[(2e)-3-aminoprop-2-enoyl]-l-serine
+c1c2c(c(cnc2N)C(=O)N)sc1Br	1X7	4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide
+c1c2c(c(cnc2N)C(=O)N)sc1C(=O)N	1X8	4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide
+C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N	1X9	cerulenin
+Cc1c(c(on1)N)c2ccccc2	1XA	3-methyl-4-phenyl-1,2-oxazol-5-amine
+Cc1c(sc-2c1C(=N[C@H](c3c2c(no3)C)CC(=O)N)c4ccc(cc4)Cl)C	1XB	2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide
+c1cc(ccc1CNC(=O)c2ccc3n(c2)cc[n+]3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)S(=O)(=O)c5cc(cc(c5)F)F	1XC	6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium
+c1cc(ccc1CNC(=O)c2ccn3ccnc3c2)S(=O)(=O)c4cc(cc(c4)F)F	1XD	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide
+CC(C)(COP(=O)(O)OP(=O)(O)OCc1c(c(c(o1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)N/C=C/SCC(O)O)O	1XE	[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3r)-4-{[3-({(e)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
+c1ccc(c(c1)C(=O)O)NC(=O)CSC(=O)N	1XF	2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid
+C/C=C/C/C=C/CCC(=O)[C@@H](CC(=O)N)O	1XG	(3r,7e,10e)-3-hydroxy-4-oxododeca-7,10-dienamide
+C[C@@H]1CC[C@]2([C@@H]([C@@]1(C)CC3=CC(=O)C=CC3=O)CCCC2=C)C	1XH	2-{[(1s,2r,4as,8ar)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione
+CC(=O)N[C@H]1CN\2[C@H](CS/C2=N\Cc3ccccc3)[C@H]([C@@H]1O)O	1XI	~{n}-[(3~{z},6~{s},7~{r},8~{r},8~{a}~{s})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide
+CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C	1XJ	4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-[(4-{[(2r)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide
+C1=C(N=C2C(=O)NC(=O)N=C2N1C[C@H]([C@@H]([C@@H](CO)O)O)O)CO	1XL	1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl]-d-arabinitol
+c1c2c([nH]n1)NC(=S)N=C2N	1XM	4-amino-1,7-dihydro-6h-pyrazolo[3,4-d]pyrimidine-6-thione
+c1ccc2c(c1)c([nH]c2N)N	1XN	2h-isoindole-1,3-diamine
+c1ccc(cc1)CCC(=O)N(Cc2cccs2)CC3=Nc4ccccc4C(=O)N3	1XO	n-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-n-(thiophen-2-ylmethyl)propanamide
+COc1cc(c(cc1C(=O)NCCN2CCC(CC2)C(=O)c3ccc(cc3)F)C#N)Cl	1XP	4-chloro-5-cyano-n-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide
+c1cc(sc1)CN(CC2=NC3=C(COCC3)C(=O)N2)C(=O)CN4CCC(CC4)C(=O)c5ccc(cc5)F	1XQ	2-[4-(4-fluorobenzoyl)piperidin-1-yl]-n-[(4-oxo-3,5,7,8-tetrahydro-4h-pyrano[4,3-d]pyrimidin-2-yl)methyl]-n-(thiophen-2-ylmethyl)acetamide
+c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)F	1XS	5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid
+Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccc(cc3)OCc4ccc(cc4)c5ccc(o5)C(=O)O	1XT	5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1h-pyrazole-3-carboxylic acid
+c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4ccnn4c5ccc(c(c5)Cl)Cl	1XU	5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1h-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid
+c1cc(ccc1C2=C(COCC2)CN3CCN(CC3)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NC6CCOCC6)Cl	1XV	4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2h-pyran-3-yl]methyl}piperazin-1-yl)-n-{[3-nitro-4-(tetrahydro-2h-pyran-4-ylamino)phenyl]sulfonyl}benzamide
+C1[C@@H]2C[C@@H]2N3[C@H]1CN[C@@H](C3)C(=O)O	1XW	(1as,4s,6ar,7as)-octahydro-1h-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxylic acid
+C[C@@H]1C(=O)C(=C(O1)C)O	1XX	(2r)-4-hydroxy-2,5-dimethylfuran-3(2h)-one
+c1ccc2c(c1)[C@@H](CCO2)N	1XY	(4r)-3,4-dihydro-2h-chromen-4-amine
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3C[C@@H]4C[C@@H]4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC	1Y0	(4s,6ar,7as)-5-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]octahydro-1h-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide
+CN(C)CCOc1cccc(c1CN2CCN(CC2)c3ccc(c(c3)Oc4ccc5c(c4)cc[nH]5)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])NCC7CCOCC7)c8ccc(cc8)Cl	1Y1	4-[4-({4'-chloro-3-[2-(dimethylamino)ethoxy]biphenyl-2-yl}methyl)piperazin-1-yl]-2-(1h-indol-5-yloxy)-n-({3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}sulfonyl)benzamide
+C1CC(CCC1[C@@H](C(=O)O)N)(F)F	1Y2	(2s)-amino(4,4-difluorocyclohexyl)ethanoic acid
+CCO[C@@H]1C[C@@H]2CN[C@@H](CN2C1)C(=O)O	1Y3	(3s,7r,8ar)-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
+C1C[C@@H]2CN[C@@H](CN2C1)C(=O)O	1Y4	(3s,8ar)-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
+c1ccc2c(c1)CCC[C@H]2N	1Y5	(1r)-1,2,3,4-tetrahydronaphthalen-1-amine
+c1cc(ccc1C(=O)O)F	1Y6	4-fluorobenzoic acid
+C([C@@H]([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O)O	1Y7	(2r,3r,4s,5r,6s)-2,3,4,5,6,7-hexahydroxyheptyl dihydrogen phosphate
+C[As](C)(C)CCO	1Y8	2-(trimethyl-lambda~5~-arsanyl)ethanol
+CC(=CC[C@]1(C=C(C[C@@H]1O)CO)C=O)C	1Y9	vibralactone, bound form
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O	1YA	n-{4-[{[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-l-glutamic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O)N	1YC	2-amino-9-[(1r,3r,6r,8r,9r,11s,14r,16r,17r,18r)-16-(6-amino-9h-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6h-purin-6-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]4[C@@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N	1YD	2-amino-9-[(2r,3r,3ar,5s,7as,9r,10r,10ar,12r,14as)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6h-purin-6-one
+Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O	1YE	(5,6-dimethyl-9-oxo-9h-xanthen-4-yl)acetic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O	1YF	 [(2r,3r,4s,5s,6r)-4-formamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+C[C@@H](c1ccccc1)C(=O)Nc2ncc(s2)SCc3ncc(o3)C(C)(C)C	1YG	(2s)-n-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC	1YH	(3s,8ar)-n-((r)-chroman-4-yl)-2-((s)-2-cyclohexyl-2-((s)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N	1YJ	n-[4-({[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)c5cc(c(c(c5)OC)OC)OC)O)(C(=O)C=CC3(C)C)C)O	1YK	territrem b
+Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OC[C@@H]4C	1YL	dihydrotanshinone i
+CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C(=O)O)c3nc(cs3)C(F)(F)F	1YM	6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid
+CC[C@@H](C)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl	1YN	2-[(2r)-butan-2-yl]-4-{4-[4-(4-{[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3h-1,2,4-triazol-3-one
+Cc1ccccc1CSc2nncn2N	1YO	3-[(2-methylbenzyl)sulfanyl]-4h-1,2,4-triazol-4-amine
+CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C3=NNC(=O)O3)c4nc(cs4)C(F)(F)F	1YP	1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea
+c1cc(cc(c1)Oc2ccc(cc2OCCN3C=CC(=O)NC3=O)Cl)/C=C/C#N	1YQ	(2e)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Br)/C=C/C#N	1YR	(2e)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F	1YS	(1r,3s,4s,5r)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide
+CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)O[C@H](COC)C(F)(F)F	1YT	(1r,3s,4s,5r)-3-(4-amino-3-fluoro-5-{[(2r)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}benzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide
+CC(C)(C)c1cccc(c1)CN[C@H]2C[S@@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F	1YU	(1s,3s,4s,5r)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1-oxide
+C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N	1YV	n-[(2r)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide
+CC(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CCCC3	1YW	n-({(5s)-3-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)acetamide
+CC(C)S(=O)(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CC[C@@H](C3)NC(=O)C	1YX	n-[(3s)-1-{2-fluoro-4-[(5s)-5-{[(propan-2-ylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}pyrrolidin-3-yl]acetamide
+C[C@H]1COCCN1C[C@H]2CN(CCN2c3ccc(cc3)[C@](C)(C(F)(F)F)O)S(=O)(=O)c4cccs4	1YY	(2r)-1,1,1-trifluoro-2-{4-[(2s)-2-{[(3s)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol
+CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N	1YZ	4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)c1nc2ccc(cc2s1)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc4ccccc4)NC	1Z0	n-methyl-d-phenylalanyl-n-{(1s)-4-carbamimidamido-1-[(6-carboxy-1,3-benzothiazol-2-yl)carbonyl]butyl}-l-prolinamide
+CC[C@H](C)CNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=S)NC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N(C)C)O	1Z1	n-(dimethylsulfamoyl)-l-phenylalanyl-n-[(1s,2s)-2-hydroxy-4-{[(2s)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-n~6~-(methylcarbamothioyl)-l-lysinamide
+Cc1c(c[nH]n1)c2ccc(cc2)F	1Z6	4-(4-fluorophenyl)-3-methyl-1h-pyrazole
+CC(C)C[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC	1Z7	n-(3-methylbutanoyl)-l-valyl-n-{(1s)-1-[(r)-[(1r)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-l- valinamide
+c1ccc(cc1)c2c[nH]nc2C(F)(F)F	1Z8	4-phenyl-3-(trifluoromethyl)-1h-pyrazole
+c1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)CN	1ZB	n-[(1s)-1-benzyl-3-diazen-1-iumylidene-2-oxopropyl]glycinamide
+COc1cccc(c1)C(=O)c2c(non2)N	1ZC	(4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone
+CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C	1ZD	n-{(2s)-2-[(n-acetyl-l-threonyl-l-isoleucyl)amino]hexyl}-l-norleucyl-l-glutaminyl-n~5~-[amino(iminio)methyl]-l-ornithinamide
+CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O	1ZG	n-(3-carboxypropanoyl)-l-valyl-n-{(1r)-1-[(s)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-l-prolinamide
+CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@H](C(C)C)[C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)COc4cccc5c4cccc5)O)O	1ZK	4-[(2r)-3-{[(1s,2s,3r,4s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1s,2r)-2-methyl-1-[(pyridin-2-ylmethyl)carba moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1h-imidazol-3-ium
+C[C@@H](C=C(C)/C=C/[C@@H]([C@H](C)C(=O)O)N)[C@H](Cc1ccccc1)OC	1ZN	(2s,3s,4e,6e,8s,9s)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
+c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F	1ZQ	5,6-bis(4-fluorophenyl)pyridine-2,3-diol
+CC(=O)N[C@@H](CS)C(=O)O	1ZT	n-acetyl-l-cysteine
+c1ccc(cc1)CC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)[C@H](NCCCCCCC[C@H](N2)O)O)CCCNC(=[NH2+])N	1ZV	amino({3-[(3r,5r,14s,16s,21ar)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1h-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium
+c1cc(ccc1CNC=S)C#N	1ZW	n-[(4-cyanophenyl)methyl]methanethioamide
+CCCCCCCCCCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	1ZZ	5'-o-[(s)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine
+c1cc(ccc1C[C@@H](C(=O)O)N)Cl	200	4-chloro-l-phenylalanine
+c1ccc(cc1)c2ccc(cc2)c3cc(cc(c3)C(=O)O)C(=O)N	201	3-amido-5-biphenyl-benzoic acid
+OBr(=O)=O	202	bromic acid
+c1[nH]c2c(n1)NS(=O)(=O)NC2=O	203	1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4(3h)-one 2,2-dioxide
+CCOC(=O)c1cnc(nc1O)N	204	2-amino-4-hydroxypyrimidine-5-carboxylic acid ethyl ester
+c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl	205	2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
+c1c2c(c(nc1N)OCC3CCCCC3)nc[nH]2	207	1-amino-6-cyclohex-3-enylmethyloxypurine
+CCO[C@@H](Cc1ccc2c(c1)ccn2Cc3c(oc(n3)c4ccccc4Cl)C)C(=O)O	208	(2s)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1h-indol-5-yl)-2-ethoxypropanoic acid
+CN1c2c(nc([nH]2)N)C(=O)N(C1=O)C	209	8-amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione
+CCn1c2c(cn1)c(c(cn2)C(=O)NCc3ccccc3)NC4CCOCC4	20A	1-ethyl-n-(phenylmethyl)-4-(tetrahydro-2h-pyran-4-ylamino)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
+c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O	20B	2-(3-hydroxyphenyl)-4h-chromen-4-one
+Cc1cccc2c1C(=O)N(C2=O)c3ccc(c(c3)O)C(=O)O	20C	2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzoic acid
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)F	20D	2-(4-fluorophenyl)-4h-chromen-4-one
+C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O	20E	(2beta,3beta,5beta,22r)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one
+c1cc(ccc1c2[nH]nnn2)C3=C(C=C(C(=O)N3)O)c4ccc(cc4)F	20F	5-(4-fluorophenyl)-3-hydroxy-6-[4-(1h-tetrazol-5-yl)phenyl]pyridin-2(1h)-one
+c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)NC(=O)CCCS	20G	n-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide
+c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)C(=O)NCCS	20H	1-[(2,4-dichlorophenoxy)acetyl]-n-(2-sulfanylethyl)piperidine-4-carboxamide
+CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl	20J	7-chloro-3-methyl-2h-1,2,4-benzothiadiazine 1,1-dioxide
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(c(c3)Cl)N(C)C	20K	2-chloro-n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n~1~,n~1~-dimethylbenzene-1,4-diamine
+c1ccc(cc1)Oc2ccc(cc2)C[NH3+]	20L	(4-phenoxyphenyl)methylazanium
+c1cc(ccc1CNC2=Nc3ccncc3S(=O)(=O)N2)S(=O)(=O)N4CCC(CC4)N5CCCC5	20M	n-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2h-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide
+CC(=O)Nc1ccc(cc1)NC(=O)C2CC2	20N	n-[4-(acetylamino)phenyl]cyclopropanecarboxamide
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)[C@H]3C[C@@H]3c4cccnc4	20O	(1s,2s)-n-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide
+c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3ccncc3	20P	(1s,2s)-2-phenyl-n-(pyridin-4-yl)cyclopropanecarboxamide
+CC(=O)N1CCC[C@@H](C1)[C@]2(c3ccc(cc3NC2=O)Cl)Cc4cccc(c4)Cl	20Q	(3s)-3-[(3r)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2h-indol-2-one
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3	20R	n-[4-(phenylsulfonyl)benzyl]-2h-pyrazolo[3,4-b]pyridine-5-carboxamide
+CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O	20S	beta-d-fructofuranosyl 6-o-octanoyl-alpha-d-glucopyranoside
+c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnn(c4nc3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(F)(F)F	20T	1-(5-o-phosphono-beta-d-ribofuranosyl)-n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
+CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4)C(=O)N)c5cccc(c5F)Cl	20U	(2's,3r,4's,5'r)-n-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
+Cc1c(c(c(c(n1)/N=N/c2cc3c(cc(cc3S(=O)(=O)O)[N+](=O)[O-])c(c2)S(=O)(=O)O)COP(=O)(O)O)C=O)O	20V	3-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid
+CC(C)(C)C[C@H]1[C@]2(c3c(cc(s3)Cl)NC2=O)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4OC)C(=O)N)c5cccc(c5F)Cl	20W	(2s,3r,4r,5r)-n-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F	20X	n-({(2e)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3	20Y	4-(acetylamino)-n-[2-amino-5-(thiophen-2-yl)phenyl]benzamide
+c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)Nc4ccc(cc4)S(=O)(=O)N)N	20Z	4-{[4-amino-5-(naphthalen-2-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+C(CN)C(O)(P(=O)(O)O)P(=O)(O)O	210	pamidronate
+C(CO)N(CCO)CCO	211	2,2',2''-nitrilotriethanol
+C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN	212	alendronate
+c1ccc(cc1)[C@@](Cc2ccc(cc2)c3cccc(c3)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)n5c6ccccc6nn5	213	4'-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)-1,1'-biphenyl-3-ylphosphonic acid
+Cc1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6	214	6-[4-((2r)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl]-2-methylquinolin-8-ylphosphonic acid
+CN(C)CCOc1ccc(cc1)c2[nH]c(c(n2)c3ccc\4c(c3)CC/C4=N/O)c5ccncc5	215	(1z)-5-(2-{4-[2-(dimethylamino)ethoxy]phenyl}-5-pyridin-4-yl-1h-imidazol-4-yl)indan-1-one oxime
+C=CCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CC=C)Cc2ccccc2)O)O)Cc3ccccc3	216	[4-r-(4-alpha,6-beta,7-beta]-hexahydro-5,6-di(hydroxy)-1,3-di(allyl)-4,7-bisphenylmethyl)-2h-1,3-diazepinone
+C=CCC[C@@H](CO)O	217	(2s)-hex-5-ene-1,2-diol
+Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO	218	1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
+c1ccc(c(c1)C=O)O[P@@](=O)(O)OCC2CCCCC2	219	cyclohexylmethyl 2-formylphenyl hydrogen (s)-phosphate
+c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)c4[nH]nnn4	21A	6-(4-fluorophenyl)-5-[4-(1h-tetrazol-5-yl)phenyl]pyridine-2,3-diol
+CNCCC=C1c2ccccc2CCc3c1cccc3	21B	nortriptyline
+CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2O)Cl)Cl	21C	n-{1-[n-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
+c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O	21D	naphthalene-1,5-disulfonic acid
+CC(C)(C)n1c(c(c(n1)c2ccc3ccccc3n2)C(=O)N)N	21E	5-amino-1-tert-butyl-3-(quinolin-2-yl)-1h-pyrazole-4-carboxamide
+CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)I	21F	n-{1-[n-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
+c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F	21G	(2s,3s)-3-[[5-fluoranyl-2-(5-fluoranyl-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
+C(O)OCO	21H	oxydimethanol
+CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2c(cc(c3c2OC(O3)(C)C)Cl)Cl	21J	n-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide
+CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(cc2Cl)Cl	21K	n-{1-[n-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide
+CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCC(=O)OC)OC)O)C)O	21L	methyl 3-{4-[({[(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}propanoate
+CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl	21M	n-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide
+c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F	21N	n-{[(2e)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-d-glucopyranosylamine
+c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)C(F)(F)F)C(C(=O)O)C(=O)O	21O	{(1r)-3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl}propanedioic acid
+C[Si]1(C[Si](c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C	21P	4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1h-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid
+CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)C	21Q	4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide
+CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl	21R	n-{1-[n-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
+CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2c(cc(c3c2nsn3)Cl)Cl	21S	n-{1-[n-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide
+CC(C)(C)c1c(cnn1c2ccc(cc2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5	21T	4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid
+CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N	21U	d-leucyl-n-(3-chlorobenzyl)-l-prolinamide
+c1cc(ccc1CC[C@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	21V	n-(4-{2-[(6s)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-l-glutamic acid
+c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4	21W	n-(4-{[(1h-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+c1cc(ccc1CN)CNC(=O)c2csc3c2C(=O)NC=N3	21X	n-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+CCC(=O)N1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)Cl	21Y	1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one
+c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)S(=O)(=O)N)N	21Z	3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
+C(CC=C(CCC=C(CCC=O)C=O)C=O)CC=O	220	undeca-3,7-diene-1,3,7,11-tetracarbaldehyde
+c1c(cc(cc1C(F)(F)F)NC(C(C#N)C(=O)N)S)C(F)(F)F	221	(2r,3r)-3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-cyano-3-thioxopropanamide
+c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccc(cc3Cl)F)C4=NN(C(=O)C=C4)c5ccccc5Cl	222	2-(3-{(2-chloro-4-fluorophenyl)[1-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]amino}propyl)-1h-isoindole-1,3(2h)-dione
+c1c(c2c([nH]1)c(ncn2)N)C[N@@]3C[C@@H]([C@H](C3)O)CO	223	(3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol
+c1cc(ccc1CCC2(OCCO2)Cn3ccnc3)Cl	224	1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1h-imidazole
+CCOC(=O)C1=C(NC(=C([C@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C	225	felodipine
+c1c(cc(c2c1c(c(cc2O)O)O)O)O	226	naphthalene-1,2,4,5,7-pentol
+CN1CCN(CC1)S(=O)(=O)c2cccc3c2C[N@](CC3)c4c5cc(c(cc5ncn4)OC)OC	227	6,7-dimethoxy-4-{8-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydroisoquinolin-2(1h)-yl}quinazoline
+Cc1cc(nc(n1)n2ccnc2)N3CCC[C@@H]3C(=O)NCCc4ccc5c(c4)OCO5	228	n-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1h-imidazol-1-yl)-6-methylpyrimidin-4-yl]-d-prolinamide
+c1c(c2c([nH]1)C(=O)NC=N2)CN[C@H](CO)[C@@H](CO)O	229	7-({[(1r,2s)-2,3-dihydroxy-1-(hydroxymethyl)propyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+c1c(c2c([nH]1)C(=O)NC=N2)CNC(CO)CO	22A	7-({[2-hydroxy-1-(hydroxymethyl)ethyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H](CCC(C)(C)O)C(C)(C)O	22B	bacterioruberin
+CCC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl	22C	1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one
+c1cc(ccc1C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	22D	4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid
+CC1=C2c3cc(ccc3N=C2C(=C4C1C(=O)NC=C4)C)OC(=O)c5ccccc5	22E	5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate
+c1cc(ccc1C(=O)c2ccncc2)F	22F	(4-fluorophenyl)(pyridin-4-yl)methanone
+c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccc(cc2)O)C(=O)O)N	22G	n-[(2s)-2-amino-3-phenylpropyl]-l-tyrosine
+C[C@H](C(=O)O)O[C@H]([C@H](CO)NC(=O)C)[C@@H]([C@@H](COP(=O)(O)O)O)O	22H	2-(acetylamino)-3-o-[(1r)-1-carboxyethyl]-2-deoxy-6-o-phosphono-d-glucitol
+c1ccc(c(c1)C(=O)[C@@H](/C=C/C(=O)C(=O)O)F)F	22J	(3e,5r)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid
+Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)[C@@H]4CCC[C@@H](C4)N	22K	5-[(1r,3s)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
+c1ccc(cc1)c2csc3c2C(=O)NC=N3	22L	5-phenylthieno[2,3-d]pyrimidin-4(3h)-one
+[H]/N=C(\c1ccc2cc([nH]c2c1)c3ccccc3C)/N	22M	2-(2-methylphenyl)-1h-indole-6-carboximidamide
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@@H]1NC(=O)C)N)C(=O)O	22N	(3r,4s,5s)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+c1cc(cc(c1)Br)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	22O	n-({(2e)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+c1ccc(cc1)CC[C@@](CN)(C(=O)O)O	22P	(2r)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid
+CC(C)CC1=N/C(=C\S)/C(=O)NC1=O	22Q	(3z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1h,3h)-dione
+c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl	22S	n-({(2e)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+c1c2c(cc(c1O[C@H]3CCNC3)Cl)C(=O)NC=C2	22T	7-chloranyl-6-[(3s)-pyrrolidin-3-yl]oxy-2h-isoquinolin-1-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl)N	22U	d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide
+CC[C@H](C)[C@@H](C1=NC(=C=S)C(=O)O1)N	22W	2-[(1s,2s)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4h)-one
+CC(=O)NCCC[C@@](c1cccc(c1)Cl)([C@@H]2CCCN(C2)C(=O)N[C@@H](CC3CCCCC3)CNC)O	22X	(3r)-3-[(1s)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-n-{(1s)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide
+C[C@H](c1ccccc1)Nc2c(ncc(n2)c3cc(ccc3Cl)C(=O)O)N	22Y	3-(5-amino-6-{[(1r)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid
+CCCCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2	22Z	4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O	230	(2r,4r)-n~1~-(4-chlorophenyl)-n~2~-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
+c1ccc(cc1)c2c[nH]cn2	231	4-phenyl-1h-imidazole
+COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)CCCC6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC	232	1,3-di[[[10-methoxy-7h-pyrido[4,3-c]carbazol-2-iumyl]-ethyl]-piperidin-4-yl]-propane
+COC(=O)NCCCCCC(=O)N[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	233	[5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylcarbamoyl)-pentyl]-carbamic acid methyl ester
+COC(=O)c1c(cccc1OC\C=C\c2ccc(c(c2)c3cc(no3)C(=O)O)F)O	234	5-{2-fluoro-5-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)-propenyl]-phenyl}-isoxazole-3-carboxylic acid
+CC(C)[C@H](NS(=O)(=O)c1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	235	(2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-hydroxy{(1r)-2-methyl-1-[(phenylsulfonyl)amino]propyl}phosphoryl]propanoic acid
+CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C	237	(2r,4r)-n~1~-(4-chlorophenyl)-n~2~-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-4-methoxypyrrolidine-1,2-dicarboxamide
+Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)Cl)C(=O)O	238	6-chloro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid
+[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)\N	239	6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-2-naphthamide
+c1cc(c(c(c1)O)O)C=O	23A	2,3-dihydroxybenzaldehyde
+C[C@H]([C@@](C)(C(=O)O)O)O	23B	(2s,3r)-2,3-dihydroxy-2-methylbutanoic acid
+c1ccc2c(c1)cccc2C[C@H](C(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O	23C	2-[(1r)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid
+CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@H]4N	23D	n2-[(1r,2s)-2-aminocyclohexyl]-n6-(3-chlorophenyl)-9-ethyl-9h-purine-2,6-diamine
+c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7	23E	(2e)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid
+c1ccc(cc1)\C=C(\C(=O)O)/N	23F	(2z)-2-amino-3-phenylacrylic acid
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N	23G	guanosine-5'-phosphate-2',3'-cyclic phosphate
+CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(c2ccc(cc2)NC(=O)C)C(=O)Cn3c4ccccc4nn3	23H	n-[4-(acetylamino)phenyl]-2-(1h-benzotriazol-1-yl)-n-[(1r)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1h-pyrrol-2-yl)-2-oxoethyl]acetamide
+CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)O)NC(=O)c1cc(cc(c1)[N@@](C)S(=O)(=O)C)C(=O)N[C@H](C)c2ccccc2	23I	n-[(1s,2s,4r)-2-hydroxy-1-isobutyl-5-({(1s)-1-[(isopropylamino)carbonyl]-2-methylpropyl}amino)-4-methyl-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]isophthalamide
+c1ccc(c(c1)C(=O)C(=O)O)S	23J	oxo(2-sulfanylphenyl)acetic acid
+CC(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)NC(C)(C)C)O)F	23K	1-tert-butyl-3-{(2s,3r)-4-[(4r)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea
+CC(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F	23L	(3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4r)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+[H]/N=C(\c1ccc2c(c1)cc([nH]2)c3cccc(c3)C)/N	23M	2-(3-methylphenyl)-1h-indole-5-carboximidamide
+c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)O	23N	(2r)-2-benzyl-3-nitropropanoic acid
+CCC(=O)NC[C@@H](C(=O)O)N	23P	3-(propanoylamino)-l-alanine
+COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)c4cccc(c4)CF)N	23Q	(2s,3s,11bs)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-amine
+C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O	23R	(1s,2s,3r,5z,7e,14beta,17alpha,23r)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
+c1c[se]c2c1c(c[nH]2)C[C@@H](C(=O)O)N	23S	(s)-2-amino-3-(6h-selenolo[2,3-b]-pyrrol-4-yl)-propionic acid
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	23T	2',3'-dideoxy-thymidine-5'-triphosphate
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cccc(c4)Cl)N	23U	beta-phenyl-d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide
+c1cc(cc(c1)Cl)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	23V	n-({(2e)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+COC(=O)C(=C)CO	23W	methyl 2-(hydroxymethyl)prop-2-enoate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3	23X	n~2~-acetyl-n-[(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-l-isoleucinamide
+c1cc(ccc1/C=C/c2cc(cc3c2[C@@H]([C@H](O3)c4ccc(cc4)O)c5cc(cc(c5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O	23Y	(2s,3s)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(e)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl beta-d-glucopyranoside
+CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)n5cccc5)C(F)(F)F)C1	23Z	(2r)-1-{5-acetyl-3-[3-{[2-oxo-2-(1h-pyrrol-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazo lo[4,3-c]pyridin-1-yl}-3-[4-(1-hydroxy-1-methylethyl)piperidin-1-yl]propan-2-ol
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4ccccc4O[C@@H](C)C(=O)O	240	(2s)-2-(2-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]methyl}phenoxy)propanoic acid
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4cccc(c4)O[C@@H](C)C(=O)O	241	(2s)-2-(3-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1h-indol-3-yl]methyl}phenoxy)propanoic acid
+Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F	242	3-(2-aminoquinazolin-6-yl)-4-methyl-n-[3-(trifluoromethyl)phenyl]benzamide
+CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O	243	(9z,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid
+c1cc(ccc1c2cc3cc(cc(c3o2)CC#N)O)O	244	[5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile
+c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl	245	1-(2-chloropyridin-4-yl)-3-phenylurea
+c1ccc(cc1)CNC(=O)Nc2ccnc(c2)Cl	246	1-benzyl-3-(2-chloropyridin-4-yl)urea
+c1cc(ccc1[C@H](C(C(=O)O)(F)F)N)O	247	(3r)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid
+CCn1cnc2c1nc(nc2Nc3ccc(cc3)[P@](=O)(CP(=O)(O)O)O)C4CCC(CC4)N	24A	{[(4-{[2-(4-aminocyclohexyl)-9-ethyl-9h-purin-6-yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acid
+c1cc(c(cc1F)F)CO	24B	(2,4-difluorophenyl)methanol
+c1cnc(nc1)OC2CCN(CC2)C(=O)NCc3ccc(cc3Cl)Cl	24D	n-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide
+c1ccc2c(c1)C(=O)c3c(c([nH]c3c4cccs4)Cc5ccc(cc5)O)O2	24E	3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2h)-one
+CCOc1ccc(cc1)c2ccc(s2)S(=O)(=O)N[C@H](C3CCN(CC3)C(=O)OC(C)C)C(=O)O	24F	(2r)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid
+CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O	24G	uridine-5'-diphosphate-3-o-(r-3-hydroxymyristoyl)-glucosamine
+c1nc2c(n1C[C@@H](CO)OCP(=O)(O)O)N=C(NC2=O)N	24H	{[(1s)-2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid
+c1cc(ccc1C[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)I	24I	(2s)-2-{[hydroxy(4-iodobenzyl)phosphoryl]methyl}pentanedioic acid
+CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3	24K	trans-4-{[2-(butylamino)-5-(pyridin-2-yl)pyrimidin-4-yl]amino}cyclohexanol
+CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCCC(=O)O)OC)O)C)O	24L	4-{4-[({[(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid
+CC(C)C[C@@H]([C@H]([C@@H]1CCC[C@H]1C(=O)O)O)N	24M	(1r,2r)-2-[(1s,2s)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid
+CC(C)C[C@@H]([C@H]([C@@H]1CC(=O)C[C@H]1C(=O)O)O)N	24O	(1r,2r)-2-[(1s,2s)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid
+c1ccc(cc1)Cc2ccc(cc2)OC[C@H]3CCCN3	24P	(2r)-2-[(4-benzylphenoxy)methyl]pyrrolidine
+CS(=O)(=O)NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3cccc(n3)CC4CCCCC4	24Q	6-(cyclohexylmethyl)-n-[4-(methylsulfonylcarbamoyl)-2-(phenylmethyl)phenyl]pyridine-2-carboxamide
+Cn1cc(cn1)c2cnc3c(cnn3c2)c4cc(sc4)C(=O)N[C@H]5CCCC[C@H]5N	24R	n-[(1s,2r)-2-aminocyclohexyl]-4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
+c1ccc(c(c1)/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]	24S	n-({(2z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+Cc1csc(n1)N	24T	2-amino-4-methylthiazole
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC)\N	24U	1-butanoyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6	24V	9-cyclopentyl-n-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine
+c1cc2c(c(c1)N)CCNC2	24W	1,2,3,4-tetrahydroisoquinolin-5-amine
+[H]/N=C(/c1ccc(nc1)NCc2cc(ccc2c3ccc(cc3C(=O)O)C(=O)NCC(C)C)C=C)\N	24X	2'-((5-carbamimidoylpyridin-2-ylamino)methyl)-4-(isobutylcarbamoyl)-4'-vinylbiphenyl-2-carboxylic acid
+Cc1cccnc1n2c(nc(n2)c3ccccc3)C4=CNC(=O)C(=C4)Cl	24Y	3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1h-1,2,4-triazol-5-yl]pyridin-2(1h)-one
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCC(=O)O	24Z	4-({4-carbamoyl-2-nitro-5-[(pyridin-3-ylmethyl)amino]phenyl}amino)butanoic acid
+C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O	250	(2r)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
+[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3	251	n-[amino(imino)methyl]-2-(2,5-diphenyl-1h-pyrrol-1-yl)acetamide
+CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O	252	(1-hydroxynonane-1,1-diyl)bis(phosphonic acid)
+Cc1c(ccc2c1nc(c3c2c4cc(c(cc4nc3)OC)OC)N)N	253	10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine
+CC1(CCC(c2c1ccc(c2)/C(=N/O)/c3ccc4cc(ccc4c3)C(=O)O)(C)C)C	254	6-[hydroxyimino-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic acid
+CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(cccc3Nc4ccccn4)nc2	255	n-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
+c1ccc(cc1)[C@H](C(=O)O)S(=O)(=O)O	256	phenyl(sulfo)acetic acid
+c1ccc(cc1)OCCCl	258	(2-chloroethoxy)benzene
+CSc1ccc(cc1)[N+](=O)[O-]	259	1-(methylsulfanyl)-4-nitrobenzene
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N	25A	5'-o-monophosphoryladenylyl(2'->5')adenylyl(2'->5')adenosine
+CCCC[C@@H](CCS(=O)(=O)c1ccccc1)NC(=O)[C@@H]2CCCC[C@H]2C(=O)c3ccc(cc3)Cl	25B	(1r,2r)-2-[(4-chlorophenyl)carbonyl]-n-{(1s)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide
+Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@](C)(C4CCCCC4)C(=O)O)C	25D	2-cyclohexyl-n-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-d-alanine
+c1cc(ccc1/C=N\NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	25E	n-({(2z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br	25F	2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one
+c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)c5[nH]nnn5	25G	n-[2-benzyl-4-(1h-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide
+c1nc2c(n1CCOCCP(=O)(O)O)N=C(NC2=O)N	25H	{2-[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethoxy]ethyl}phosphonic acid
+Cc1ccc(cc1)CN(C)c2cc(nc3n2ncn3)C	25K	n,5-dimethyl-n-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)O)O)N	25L	[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
+B(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(O)O	25N	(3,5-di-tert-butylphenyl)boronic acid
+Cc1cc(n2c(n1)nc(n2)N)c3ccccc3	25O	5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
+c1cc(ccc1OC[C@@H]2CCC[N@@]2CCCC(=O)[O-])Oc3ccc(cc3)Cl	25P	4-[(2s)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate
+COc1cccc(c1)n2c(c(c3c2nc4ccccc4n3)C(=O)N)N	25Q	2-amino-1-(3-methoxyphenyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide
+Cc1cnc(cn1)C	25R	2,5-dimethylpyrazine
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(c(c6)F)F	25S	(r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide
+Cc1c[nH+]c(s1)N	25T	2-amino-5-methylthiazole
+CCc1c(c(nc(n1)N)N)C#CCc2cccc(c2)c3cncnc3	25U	6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
+Cc1cc(c2ccccc2[n+]1[O-])c3cccc(c3)NC(=O)C	25V	n-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N	25W	(1r,2s,3s,4r,5s)-5-aminocyclohexane-1,2,3,4-tetrol
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CNS(=O)(=O)N	25X	1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane
+B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CNS(=O)(=O)N	25Y	1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane
+c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccc(c3)C(F)(F)F)N	25Z	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone
+c1cc(c(c(c1)F)CBr)F	260	2-(bromomethyl)-1,3-difluorobenzene
+CCOc1ccccc1O	261	2-ethoxyphenol
+c1ccc(c(c1)C=O)OP(=O)(O)O	262	2-formylphenyl dihydrogen phosphate
+Cc1cccc(c1)CN=[N+]=[N-]	263	1-(azidomethyl)-3-methylbenzene
+c1ccc(cc1)NCC#N	264	(phenylamino)acetonitrile
+c1cc(sc1)[N+](=O)[O-]	265	2-nitrothiophene
+CCCSCCO	266	2-(propylsulfanyl)ethanol
+Cc1cccc(c1)CN=[N+]=[N-]	267	1-(azidomethyl)-3-methylbenzene
+c1ccc(cc1)OCCO	268	2-phenoxyethanol
+c1ccc(cc1)[C@@H](CCCl)O	269	(1r)-3-chloro-1-phenylpropan-1-ol
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	26A	6n-dimethyladenosine
+Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)O)C	26B	o-tert-butyl-n-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-l-threonine
+c1cc(c(c(c1)F)c2ccc(cc2)C(=O)O)F	26C	2',6'-difluorobiphenyl-4-carboxylic acid
+c1cc(nc(c1)N)N	26D	pyridine-2,6-diamine
+B123B45B167B289B31B823B966B744B622[C@]45C321CNS(=O)(=O)N	26E	7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane
+COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4cc(nc(n4)OC)OC	26F	(2r)-4-(2,6-dimethoxypyrimidin-4-yl)-n-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
+Cc1ncc(c(n1)N)Cc2cccc(c2)CCO	26G	2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol
+c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C(F)(F)F	26J	2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4h-benzo[e][1,3]thiazin-4-one, bound form
+CN(C)CCNc1ccn2c(n1)c(cn2)c3c[nH]nc3	26K	n,n-dimethyl-n'-[3-(1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
+c1ccc2cc(ccc2c1)c3cnn4c3nc(cc4)N[C@@H]5CCCC[C@H]5N	26L	(1r,2r)-n-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine
+c1ccc(cc1)c2ccc(cc2)OCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	26M	n-[(biphenyl-4-yloxy)acetyl]-beta-d-glucopyranosylamine
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)C(F)(F)F	26N	nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-n-pyridin-4-yl-d-tryptophanamide
+c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	26O	n-({(2e)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamine
+C(C[C@@H](C(=O)O)N)CC(=O)C(=O)O	26P	2-amino-6-oxopimelic acid
+c1ccc(cc1)c2ccc(cc2)/C=C/C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	26Q	n-[(2e)-3-(biphenyl-4-yl)prop-2-enoyl]-beta-d-glucopyranosylamine
+C[C@H](Cc1ccc(cc1)C(C)C)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	26R	n-{(2r)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-d-glucopyranosylamine
+CCc1ccc(cc1)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(cc3)OC)c4cc(nc(n4)OC)OC	26S	(2r)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-n-(4-methoxybenzyl)piperazine-2-carboxamide
+CC(=O)[C@H](C(=O)COP(=O)(O)O)O	26T	(3r)-3-hydroxy-2,4-dioxopentyl dihydrogen phosphate
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC(C)C)\N	26U	n-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-l-prolinamide
+c1cc2c(cc1CCCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CCCC2	26V	n-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-beta-d-glucopyranosylamine
+CCc1ccc(cc1)[C@H](C)CC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	26W	n-[(3r)-3-(4-ethylphenyl)butanoyl]-beta-d-glucopyranosylamine
+CC(C)c1ccc(cc1)/C=C/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	26Y	n-{(2e)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-d-glucopyranosylamine
+c1cc(cc(c1)N)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	26Z	4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+C1=CC2=NC(N=C2C=C1)N	270	2h-benzoimidazol-2-ylamine
+CNCc1ccccc1	271	n-methyl-1-phenylmethanamine
+c1cc2c(cc1O)onc2c3ccc(cc3O)O	272	4-(6-hydroxy-benzo[d]isoxazol-3-yl)benzene-1,3-diol
+[H]/N=C(\C1CCCC1)/N	273	cyclopentanecarboximidamide
+Cc1c([nH]c(c1C(=O)N2CCN(CC2)C)C)\C=C/3\c4cc(ccc4NC3=O)S(=O)(=O)N(C)c5cccc(c5)Cl	274	(3z)-n-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1h-pyrrol-2-yl}methylene)-n-methyl-2-oxoindoline-5-sulfonamide
+Cc1ccc(c[n+]1C)N	275	5-amino-1,2-dimethylpyridinium
+CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)[nH]c(n3)Nc4ccc(c(c4)C(F)(F)F)Cl	276	4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3h-benzimidazol-5-yl]oxy]-n-methyl-pyridine-2-carboxamide
+C[C@@H](C1CCC(CC1)N(C)C(=O)C)[C@@H](C(=O)N2CC[C@@H](C2)F)N	277	n-(trans-4-{(1s,2s)-2-amino-3-[(3s)-3-fluoropyrrolidin-1-yl]-1-methyl-3-oxopropyl}cyclohexyl)-n-methylacetamide
+Cn1cccc1CN	278	1-(1-methyl-1h-pyrrol-2-yl)methanamine
+CCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NOC	279	n-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+CN1CCN(CC1)c2ccccc2C/N=N\C(=S)N	27A	(z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide
+c1ccc2c(c1)ccc(c2Br)C(=O)O	27B	1-bromonaphthalene-2-carboxylic acid
+CCCCO[P@](=O)(O)OC[C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O	27C	5-o-[(s)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-d-arabinofuranose
+Cc1cccc(n1)CC(=O)n2ccc3c2ccc(c3F)c4cn(c5c4c(ncn5)N)C	27D	1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1h-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone
+C1(=O)C2([C@@]3([C@@]4(C1([C@@]5([C@]2(C3(C(C54Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl	27E	chlordecone
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C#N	27F	4-(4-oxo-1,4-dihydroquinazolin-2-yl)benzonitrile
+CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2	27G	benzyl butyl benzene-1,2-dicarboxylate
+CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)OC(=O)c3ccc(cc3)O)(C(C)C)O)C	27H	ferutinine
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N3CCCCCC3)N	27I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide
+C[C@H]1CCC[C@@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O	27J	alpha-zearalanol
+CCCCOC(=O)c1ccc(cc1)O	27K	butyl 4-hydroxybenzoate
+CC(C)(C)CC(C)(C)c1ccc(cc1)O	27L	4-(2,4,4-trimethylpentan-2-yl)phenol
+c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O	27M	bis(2,4-dihydroxyphenyl)methanone
+c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O	27N	4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol
+C[C@H](c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O	27O	(2r)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid
+c1ccc(cc1)Cc2ccc(cc2)OCCN3CCCC3	27P	1-[2-(4-benzylphenoxy)ethyl]pyrrolidine
+CCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	27Q	n-heptyl-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)O	27R	[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid
+CCC(CC)O[C@@H]1CC(=C[C@@]2([C@H]1NC(=O)C)C(=O)N=C(S2)N)C(=O)O	27S	(5r,9r,10s)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)\N	27U	n-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-l-prolinamide
+[H]/N=C/1\NC(=O)[C@]2(S1)C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O	27V	(2e,5s,9r,10s)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid
+CC[C@@H](C)[C@@H]([C@H](CC(C)C)N)O	27W	(3r,4s,5s)-5-amino-3,7-dimethyloctan-4-ol
+CN1c2c(cc(c3c2c(cc(n3)C(=O)OC)C1=O)N)N	27X	ammosamide 272
+C1=C(C(=O)NC=C1Br)O	27Y	5-bromo-3-hydroxypyridin-2(1h)-one
+c1cc(ccc1Nc2nc(c(s2)C(=O)N)N)S(=O)(=O)N	27Z	4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
+Cn1cncc1C=O	280	1-methyl-1h-imidazole-5-carbaldehyde
+CC(C)[C@H](NS(=O)(=O)c1cccc2c1nsn2)[P@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O	281	(2s)-2-[3-(aminomethyl)phenyl]-3-[(s)-{(1r)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid
+COc1cccnc1	282	3-methoxypyridine
+CC#CCOc1ccc(cc1)S(=O)(=O)[N@]2CC[C@@H](C2)S	283	(3s)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol
+C[C@H]1CCNC(=C1)N	284	(4s)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine
+CC1[C@H](O[C@@H](N1)C)C	285	(2r,4r,5r)-2,4,5-trimethyl-1,3-oxazolidine
+C[n+]1ccccc1C=C	286	2-ethenyl-1-methylpyridinium
+Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)C(=O)NOC	287	4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-n-[(1s)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+c1cc2c(cc1Cl)cc([nH]2)C(=O)NCC(N(CCO)C3CCCC3)O	288	5-chloro-1h-indole-2-carboxylic acid{[cyclopentyl-(2-hydroxy-ethyl)-carbamoyl]-methyl}-amide
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O	289	d-glycero-alpha-d-manno-heptopyranose
+COc1cccc(c1)C2=NC(=O)C(=CC2)O	28A	3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5h)-one
+c1cc(cc(c1)C2=CNC(=O)C(=C2)O)C#N	28B	3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile
+Cc1cc(c2nncn2n1)NCCc3ccc(cc3)O	28C	4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol
+COc1cc(cc(c1OC)OC)c2c3cc(ccc3[nH]n2)C=C(C#N)n4cncn4	28D	(2z)-2-(1h-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]prop-2-enenitrile
+c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O	28E	(2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol
+CCNC(=O)Nc1nc2cc(c(nc2s1)OC[C@@H]3CCOC3)c4cncnc4	28F	1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3r)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea
+C=CCNC(=O)Nc1nc2cc(c(nc2s1)OCCN3CCOCC3)c4cccnc4	28G	1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea
+C[C@H]([C@@H](C(C)C)O)C(=O)O	28H	(2r,3r)-3-hydroxy-2,4-dimethylpentanoic acid
+[H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2ccoc2)N3CCCCCC3)N	28I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide
+CC[C@H](C)[C@H](C(=O)O)N	28J	d-alloisoleucine
+C[C@@H]([C@@]1(CO1)/C=C/C(=O)O)O	28K	(2e)-3-{(2s)-2-[(1r)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid
+CC(C)(C)c1cc(c2c(c1OC)cc(cn2)c3ccc(cc3)NS(=O)(=O)C)C4=CCC(=NC4=O)OC	28L	n-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide
+CC(C)(C)c1cc(c2c(c1OC)cc(cn2)N3CC[C@@H](C3)CNS(=O)(=O)C)C4=CC=CNC4=O	28M	n-({(3s)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide
+c1cc2c(cc1Br)N3C(=NOC3=O)CO2	28N	8-bromo-4h-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one
+CC(C)(C)c1cc(ccc1OC)C2=CC=CNC2=O	28O	3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1h)-one
+C[N@@](CCCOc1ccc(cc1)Cc2ccccc2)CCC(=O)O	28P	n-[3-(4-benzylphenoxy)propyl]-n-methyl-beta-alanine
+CC(C)(C)c1cc(cc(c1OC)CCc2ccc(cc2)NS(=O)(=O)C)C3=CC=CNC3=O	28Q	n-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide
+CC(C)(C)c1cc(cc(c1OC)c2nc3cc(ccc3o2)NS(=O)(=O)C)C4=CC=CNC4=O	28R	n-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide
+C=CCNc1c2cc(ccc2ncn1)Br	28S	6-bromo-n-(prop-2-en-1-yl)quinazolin-4-amine
+C1C[C@H](NC1)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O	28T	1-{4-oxo-4-[(2s)-pyrrolidin-2-yl]butanoyl}-l-proline
+CC(=CCCC(=CCC[C@](C)(C=C)O)C)C	28U	(3r,6e)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
+CC(C)(C)c1cc(cc(c1OC)/C=C/c2ccc(cc2)NS(=O)(=O)C)C3=CC=NNC3=O	28V	n-(4-{(e)-2-[3-tert-butyl-2-methoxy-5-(3-oxo-2,3-dihydropyridazin-4-yl)phenyl]ethenyl}phenyl)methanesulfonamide
+CC(C)C[C@@H](C(=O)NO)NC(c1c2ccc(cc2[nH]c1C(=O)NO)Cl)C(=O)NCc3ccccc3	28W	3-[(1r)-2-(benzylamino)-1-{[(2s)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-n-hydroxy-1h-indole-2-carboxamide
+C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)OCC[C@H](CO)O	28X	o-[(r)-{[(3r)-3,4-dihydroxybutyl]oxy}(hydroxy)phosphoryl]-l-threonine
+c1cn-2c(n1)NC(=O)c3c2nc[nH]3	28Y	3h-imidazo[2,1-b]purin-4(5h)-one
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	28Z	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-glutamic acid
+CC1=NC(=O)Nc2c1nc[nH]2	290	6-methyl-3,9-dihydro-2h-purin-2-one
+C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COC(=O)N)O)O)O)O	291	prop-2-en-1-yl 7-o-carbamoyl-l-glycero-alpha-d-manno-heptopyranoside
+c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4	292	n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-(2-naphthyl)acetamide
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)[C@H](CO)O)O)O	293	2-deoxy-beta-l-galacto-heptopyranose
+c1cc(ccc1C(F)(F)F)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)C(=O)NO	294	n-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2h-pyran-4-carboxamide
+c1cc(ccc1[C@@H]([C@@H](C(=O)O)O)O)F	295	(2s,3s)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid
+COc1ccc(cc1)[C@H](C(C(=O)O)(F)F)N	296	(3r)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid
+C(CCCCCCN)CCCCCN	297	dodecane-1,12-diamine
+C\C=C\C=NCCCC/N=C/C=C\C	298	n-[(1e,2z)-but-2-en-1-ylidene]-n'-[(2e)-but-2-en-1-ylidene]butane-1,4-diamine
+Cc1cc(c(c(c1)C=O)OP(=O)(O)O)C=O	299	2,6-diformyl-4-methylphenyl dihydrogen phosphate
+Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO	29A	3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6h)-yl}-n-(2-hydroxyethyl)-4-methylbenzamide
+c1cc(ccc1c2c[nH]nc2c3ccncc3)F	29B	4-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]pyridine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	29C	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	29D	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-l-gamma-glutamyl-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid
+CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3	29E	(3s)-n-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine
+CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	29F	2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one
+c1c2c(nc(nc2ncn1)N)N	29G	pyrimido[4,5-d]pyrimidine-2,4-diamine
+c1c2c(ncn1)N=C(NC2=O)N	29H	2-aminopyrimido[4,5-d]pyrimidin-4(3h)-one
+CN(C)C[C@@H](c1ccc(cc1)O)C2(CCCCC2)O	29J	4-[(1r)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
+CC(C)C[C@H]1c2c3c4ccccc4n(c3c5c(c2C(=O)N1)c6ccccc6[nH]5)CCCCN	29K	(7s)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
+c1cc\2c(cc1c3cn(nc3c4ccncc4)CCO)CC/C2=N\O	29L	2-{4-[(1e)-1-(hydroxyimino)-2,3-dihydro-1h-inden-5-yl]-3-(pyridin-4-yl)-1h-pyrazol-1-yl}ethanol
+CC(C)c1cc2c(c([nH]c2c(c1)NS(=O)(=O)C)CN(C)Cc3ccccc3)c4ccc(cc4OC)F	29M	n-[2-{[benzyl(methyl)amino]methyl}-3-(4-fluoro-2-methoxyphenyl)-5-(propan-2-yl)-1h-indol-7-yl]methanesulfonamide
+CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC	29N	1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one
+c1c(cc(cc1NC(=O)CBr)NC(=O)CBr)NC(=O)CBr	29O	n,n',n''-benzene-1,3,5-triyltris(2-bromoacetamide)
+Cc1c(c(c([nH]1)C[C@H]2C(=C(C(=O)N2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	29P	3-[(5s)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]propanoic acid
+c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O	29Q	(5r)-5-(4-chlorophenyl)-2,5-dihydro-3h-imidazo[2,1-a]isoindol-5-ol
+Cn1c[n+](c2c1C(=O)NC(=N2)NCCCCC(=O)O)CCCCC(=O)O	29R	2,9-n,n-di(4-carboxybutyl)-7-n-methylguanine
+Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O	29S	bazedoxifene
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccn4c3cc(c4)C#N	29T	8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC)N)\N	29U	1-[(2r)-2-aminobutanoyl]-n-(4-carbamimidoylbenzyl)-l-prolinamide
+C[C@H]1CC/C(=C\C(=C/C/C=C(\C)/CC(=O)O)\C)/c2c1cccc2	29V	(3e,6z,8e)-3,7-dimethyl-8-[(4s)-4-methyl-3,4-dihydronaphthalen-1(2h)-ylidene]octa-3,6-dienoic acid
+Cc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	29W	(5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)C=NC4=O)F	29X	5-{[(3s,4r)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-1h-isoindol-1-one
+CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5c[nH]nc5	29Y	(1s,2s)-2-{4-[(dimethylamino)methyl]phenyl}-n-[6-(1h-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
+CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5cccnc5	29Z	(1s,2s)-2-{4-[(dimethylamino)methyl]phenyl}-n-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
+CCCC[C@@H](CN[C@@H](CCCC)C(=O)O)N	2A0	n-[(2s)-2-aminohexyl]-l-norleucine
+C[C@@H](CO)N	2A1	(2s)-2-aminopropan-1-ol
+c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCCS	2A2	4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-1-thiol
+C[C@H](CO)N	2A3	(2r)-2-aminopropan-1-ol
+CC1([C@](O[C@@](O1)(C(=O)Nc2cccc(c2)C(=O)N3CCC(CC3)c4cccc(c4)CN)C(C)(C)O)(C(=O)Nc5cccc(c5)C(=O)N6CCC(CC6)c7cccc(c7)CN)O)C	2A4	(2r,4s)-n,n'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)CCO)N	2A5	2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate)
+c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	2A6	2-anilino-6-cyclohexylmethoxypurine
+COc1cc(cc(c1)O)O	2A7	5-methoxy-benzene-1,3-diol
+c1ccc2c(c1)CCc3cc(ccc3C2=O)Nc4ccccc4N	2A8	2-amino-phenylamino-dibenzosuberone
+COc1ccc(cc1O)CO	2A9	5-(hydroxymethyl)-2-methoxyphenol
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O	2AA	5'-o-{[({[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]oxy}phosphinato)oxy]phosphinato}cyt
+c1cc(ccc1CCN)[S@@](=O)O	2AB	4-(2-aminoethyl)benzenesulfonic acid
+Cc1ccc(c(c1)N)O	2AC	2-amino-p-cresol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)N)N	2AD	2'-amino-2'-deoxyadenosine
+c1ccc(c(c1)C(=O)N)N	2AE	2-amino-benzamide
+c1ccc(c(c1)N)O	2AF	2-aminophenol
+C=CC[C@@H](C(=O)O)N	2AG	(2s)-2-aminopent-4-enoic acid
+CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2ccccn2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC	2AH	{(1s)-1-[n'-[(2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-n'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester
+c1cnc([nH]1)N	2AI	1h-imidazol-2-amine
+C[Si](C)(c1coc2c1cc(cc2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5coc6c5cc(cc6)C(=O)N7CCC(CC7)c8cccc(c8)CN	2AJ	[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
+Cc1cc2c(c(c1)Br)NC(=O)C2=O	2AK	7-bromo-5-methyl-1h-indole-2,3-dione
+C1(=O)C(=NC(=O)N1)NC(=O)N	2AL	1-(2,5-dioxo-2,5-dihydro-1h-imidazol-4-yl)urea
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N	2AM	adenosine-2'-monophosphate
+c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O	2AN	8-anilino-1-naphthalene sulfonate
+CCCC[C@@H](CO)N	2AO	(2s)-2-aminohexan-1-ol
+c1cc[nH+]c(c1)N	2AP	2-aminopyridine
+c1ccc2c(c1)ccc(n2)N	2AQ	quinolin-2-amine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](C3)O)COP(=O)(O)O)N	2AR	2'-deoxyaristeromycin-5'-phosphate
+C[C@H]([C]O)[C@@H](C(=O)(=O)O)N	2AS	(2s,3s)-3-methyl-aspartic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC=C	2AT	2'-o-allyl thymidine-5'-monophosphate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N	2AU	2'-aminouridine
+C[Si](C)(c1cccc2c1cc(s2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5cccc6c5cc(s6)C(=O)N7CCC(CC7)c8cccc(c8)CN	2AV	[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
+C[C@](COC(=O)CCCCC(=O)O)([C@H](C(=O)O)NCCC=O)S(=O)O	2AW	6-({(2r,3s)-3-carboxy-2-methyl-3-[(3-oxopropyl)amino]-2-sulfinopropyl}oxy)-6-oxohexanoic acid
+C[C@H]1CS[C@@H]2[C@H](C[C@H]1C(=O)O)C(=O)c3ccncc3C2=O	2AX	(3r,4r,5ar,11ar)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid
+CC(C)(C)c1cc(cc(c1OC)C2=Cc3ccc(cc3C(=O)O2)NS(=O)(=O)C)C4=CC=CNC4=O	2AY	n-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1h-isochromen-7-yl}methanesulfonamide
+Cc1ccc(cc1)C(=O)N(CCCN)[C@H](C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl	2AZ	n-(3-aminopropyl)-n-[(r)-(3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl]-4-methylbenzamide
+Cc1c(c(c(cn1)CCP(=O)(O)O)C=O)O	2B0	[2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethyl]phosphonic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/c2nc3ccccc3s2)O	2B1	(4-{[(e)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	2B2	4-(2-methyl-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzamide
+CCCS(=O)(=O)NCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	2B3	4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzamide
+c1cc(ccc1OC(C(=O)O)C(=O)O)Br	2B4	2-(4-bromanylphenoxy)propanedioic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)CNC(=O)c3cc4ccccc4o3	2B5	2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1h-indol-1-yl)acetic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/C(=O)c2nc3ccccc3s2)O	2B6	(4-{[(e)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+CC(C)CCN1c2c(nc(s2)NC(=O)NCC=C)C=C(C1=O)c3cccnc3	2B7	1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea
+CCCn1cnc2c1CC[C@@](C2)(CCCN)C(=O)O	2B8	(5r)-5-(3-aminopropyl)-1-propyl-4,5,6,7-tetrahydro-1h-benzimidazole-5-carboxylic acid
+CC1=C(/C(=C\N=N\C(=O)c2ccncc2)/C(=CN1)COP(=O)(O)O)O	2B9	[(4z)-5-hydroxy-6-methyl-4-{[(e)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N	2BA	(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9h-purin-9-yl)octahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide
+CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C	2BB	(2s,3r)-n~4~-[(1s)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-n~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
+c1ccc2cc(ccc2c1)C(=O)N/N=C/c3cc(c(c(c3O)Br)O)Br	2BC	n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
+C=C[C@@H](CO)N1C=Nc2c(ncn2[C@H]3CC([C@H](O3)COP(=O)(O)O)O)C1=O	2BD	n1-(1-hydroxy-3-buten-2(s)-yl)-2'-deoxyinosine mono phosphoric acid
+c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Cl	2BE	4-chloro-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
+c1ccc(cc1)CN[C@@H](c2ccccc2)P(=O)(O)O	2BF	alpha-benzyl-aminobenzyl-phosphonic acid
+c1ccc2c(c1)nc(s2)CN	2BG	1-(1,3-benzothiazol-2-yl)methanamine
+[B-](\C=C\CC[C@@H](C(=O)O)N)(O)(O)O	2BH	[(1e,5s)-5-amino-5-carboxypent-1-enyl](trihydroxy)borate(1-)
+Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl	2BI	2,4,5-trichloro-n-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
+Cc1ccc(cc1C)Oc2cccc(c2)NC(=O)c3cc(ccc3C(=O)O)[N+](=O)[O-]	2BJ	2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@H](C)O)C(=O)O)O	2BK	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-allothreonine
+CC[C@H]([C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C(=O)O	2BL	(3r)-3-ethyl-n-[(4-methylphenyl)sulfonyl]-l-aspartic acid
+C(Br)Br	2BM	dibromomethane
+CC1([C@@H]2CC[C@]1(NC2)C)C	2BN	(1r,4s)-2-azabornane
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@@H](C)O)C(=O)O)O	2BO	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-threonine
+c1c2c([nH]cn2)nc(n1)N	2BP	9h-purin-2-amine
+c1cc(ccc1[C@](CN)(CS(=O)(=O)O)O)Cl	2BQ	2-hydroxysaclofen
+c1ccc(c(c1)O)Br	2BR	2-bromophenol
+CCOC(=O)c1ccc2c(c1)sc(n2)N	2BS	ethyl 2-amino-1,3-benzothiazole-6-carboxylate
+CCCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O	2BT	2'-o-butyl-thymidine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC[C@H]([C@H](CO)O)O	2BU	(2s,3s)-n6-(2,3,4-trihydroxybutyl)-2'-deoxyadenosine mono phosphoric acid
+C[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(CC2CCCCC2)O)O	2BV	(r)-(cyclohexylmethyl)[(2s)-3-{[(1s)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid
+CCOC(OCC)P(=O)(CCCN)O	2BW	(s)-(3-aminopropyl)(diethoxymethyl)phosphinic acid
+CC1(CO[C@H](CN1)CC(=O)O)C	2BX	[(2s)-5,5-dimethylmorpholin-2-yl]acetic acid
+c1cc(ccc1[C@H](CN)CP(=O)(O)O)Cl	2BY	phaclofen
+Cc1c-2nc(c3cc(ccc3nc2nn1)[N+](=O)[O-])c4ccccc4Cl	2BZ	5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine
+c1cc(ccc1[C@@H](CC(=O)O)CN)Cl	2C0	baclofen
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br	2C1	n-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
+c1ccc2c(c1)C=C[C@](O2)(C(=O)O)O	2C2	(2s)-2-hydroxy-2h-chromene-2-carboxylic acid
+COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c4cccc(c4)Cl	2C3	n-(5-{[(1r)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
+COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)OC	2C4	methyl 4-chloro-3-{[(2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)carbonyl]amino}benzoate
+Cn1cncc1[C@@H](c2ccc(cc2)C#N)OCc3c(cc(c(n3)Cl)C#N)c4cccc(c4)Cl	2C5	2-chloro-5-(3-chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3h-imidazol-4-yl)- methoxymethyl]-nicotinonitrile
+c1ccc(cc1)c2nnc(o2)C3CCC(CC3)NC(=O)CCSC4=Nc5ccccc5C(=O)N4	2C6	3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-n-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
+c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3	2C7	2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)NC(=O)CCC4=Nc5ccccc5C(=O)N4	2C8	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
+Cc1cccc(c1N)N	2C9	3-methylbenzene-1,2-diamine
+CC(C)C[C@@H](C(=O)N[C@H]1CCC[N@](CC1=O)S(=O)(=O)c2ccccn2)NC(=O)c3cc4ccccc4o3	2CA	benzofuran-2-carboxylic acid {(s)-3-methyl-1-[3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-ylcarbamoyl]butyl}amide
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2ccc(nc2)NCCN3CCN(CC3)C	2CB	6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)pyridine-3-sulfonamide
+c1cc2c(c[nH]c2c(c1)Cl)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5Cl	2CC	3,4-bis(7-chloro-1h-indol-3-yl)-1h-pyrrole-2,5-dicarboxylic acid
+CCN(CC)Cc1cccc(c1)c2cc(c(c(c2)Cl)S(=O)(=O)Nc3c(nn(c3C)C)C)Cl	2CD	3,5-dichloro-3'-[(diethylamino)methyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)biphenyl-4-sulfonamide
+[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)NCCOCCOCC(=O)N)NC(=O)CSc2ccc(cc2)Cl	2CE	n-[2-(2-carbamoylmethoxy-ethoxy)-ethyl]-2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide
+CC(=CCC/C(=C/CC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)/C)C	2CF	(2e,6e)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
+C1([C@H]([C@@H]1C(=O)O)C(=O)O)[C@@H](C(=O)O)N	2CG	(1r,2r)-3-[(s)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
+c1ccc(c(c1)O)Cl	2CH	2-chlorophenol
+c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C(=O)CC4(CCCC4)CC(=O)O	2CJ	(1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid
+c1ccc2c(c1)CCNC2	2CK	1,2,3,4-tetrahydroisoquinoline
+c1cc(c(c(c1)Cl)CC(=O)O)Cl	2CL	(2,6-dichlorophenyl)acetic acid
+Cc1cccc(c1N)Cl	2CM	2-chloro-6-methyl-aniline
+CCCCCCCCOc1cccc(c1)CSc2ccc(cc2C(=O)O)Br	2CN	5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid
+C([C@@H](C(=O)O)N)SOO	2CO	s-hydroperoxycysteine
+C[C@@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O	2CP	2-carboxypropyl-coenzyme a
+Cc1cc(c(cc1Cl)N)N	2CQ	4-chloro-5-methylbenzene-1,2-diamine
+C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)/C#N)O)C)C	2CR	(1r,2r)-2-[(2s,4e,6e,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid
+CC(C)(C)Sc1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)Cl)OCc4ccc5ccccc5n4	2CS	3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1h-indol-2-yl]-2,2-dimethylpropanoic acid
+COc1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)OC	2CT	(2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+Cc1c2c(c(sc2nc(c1Cl)OCC(=O)N3CCN(CC3)C)C(=O)NC4CC4)N	2CU	3-amino-5-chloro-n-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide
+CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O	2CV	hega-10
+C[C@H]([C@@](C)(C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O	2CW	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide
+CS(=O)(=O)N(Cc1ccco1)C[C@H](Cn2c3ccccc3c4c2cccc4)O	2CX	n-[(2s)-3-(9h-carbazol-9-yl)-2-hydroxypropyl]-n-(furan-2-ylmethyl)methanesulfonamide
+c1cc(cc(c1)F)OCCCOc2cccc3c2c(nc(n3)N)N	2CY	5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine
+CC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O	2CZ	n-[(3s,4r,5r,6s)-4,5,6-trihydroxyazepan-3-yl]acetamide
+c1cc2c(c(c1)Cl)nc(s2)N	2D0	4-chloro-1,3-benzothiazol-2-amine
+Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C	2D1	n-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
+Cc1c(cc(o1)c2ccccc2)C(=O)O	2D2	2-methyl-5-phenylfuran-3-carboxylic acid
+Cc1c(c(n[nH]1)c2ccno2)C(=O)OC	2D3	methyl 3-isoxazol-5-yl-5-methyl-1h-pyrazole-4-carboxylate
+c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O	2D4	n-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]thiophene-2-sulfonamide
+c1ccc2c(c1)C[C@@H](NC2)C(=O)NCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	2D5	5'-s-(3-{[(3r)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine
+c1ccc2c(c1)C(=O)NC(=N2)SCCC(=O)NC3CCC(CC3)Oc4ccc(cc4)C#N	2D6	n-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide
+CC(=O)c1ccc(cc1)NC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl	2D7	n-(4-acetylphenyl)-5-(5-chloro-2,4-dihydroxyphenyl)-1h-pyrazole-4-carboxamide
+C[C@@H](CP(=O)([C@@H](C)N)O)C(=O)O	2D8	(2r)-3-[(r)-[(1s)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+CS(=O)(=O)c1ccc(cc1)CN2CCN(CC2)c3cn[nH]c3c4cc(c(cc4O)O)Cl	2D9	4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1h-pyrazol-5-yl)benzene-1,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)COP(=O)(O)O)N	2DA	2',3'-dideoxyadenosine-5'-monophosphate
+[B-](O)(O)(O)OC[C@H](CO)O	2DB	(s)-(2,3-dihydroxypropoxy)trihydroxyborate
+CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O	2DC	(3alpha,8alpha,22r)-cholest-5-ene-3,20,22-triol
+c1cc(ccc1CNC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl)S(=O)(=O)N	2DD	3-(5-chloro-2,4-dihydroxy-phenyl)-1h-pyrazole-4-carboxylic acid 4-sulfamoyl-benzylamide
+CC(=CCC/C(=C/CC/C=C/CO[P@](=O)(O)OP(=O)(O)O)/C)C	2DE	(2e,6e)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
+C1[C@@H]([C@H](O[C@H]1NC=O)COP(=O)(O)O)O	2DF	n-(2-deoxy-beta-d-erytho-pentofuranosyl-5-phosphate) formamide
+C1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O	2DG	2-deoxy-alpha-d-galactopyranose
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3)C(F)(F)F	2DH	[5-methoxy-2-({[4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid
+c1nc2c(n1[C@H]3CC[C@H](O3)CO)N=CNC2=O	2DI	9-[(2r,5r)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6h-purin-6-one
+CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	2DJ	(2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1h-indol-1-yl)acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)N3CCOCC3	2DK	{5-methoxy-2-[(morpholin-4-ylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid
+CCN(CC)C(=O)c1ccc(c(c1)OC)O	2DL	2-methyl-4-diethylamide-phenol
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)COC[C@@H](COP(=O)(O)O)O	2DM	2-hydroxy-3-(pyren-1-ylmethoxy)propyl dihydrogen phosphate
+CC(=O)Nc1nnc(s1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	2DN	[2-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfonyl}carbamoyl)-5-methoxy-1h-indol-1-yl]acetic acid
+CCCC[C@@H](C(O)O)N	2DO	(2s)-2-aminohexane-1,1-diol
+CC(C)CCCC(C)CCCC(C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](CO[P@@](=O)(O)OC)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C	2DP	3-[[3-methylphosphono-glycerolyl]phosphonyl]-[1,2-di[2,6,10,14-tetramethyl-hexadecan-16-yl]glycerol
+COc1ccc(cc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	2DQ	(5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid
+C1[C@@H]([C@H](O[C@H]1O)CO)O	2DR	2-deoxy-beta-d-erythro-pentofuranose
+c1cc(c(c(c1)O)O)C(=O)N[C@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O	2DS	n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2r)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-l-serine
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O	2DT	3'-deoxythymidine-5'-monophosphate
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccccc3	2DU	{2-[(benzylsulfonyl)carbamoyl]-5-methoxy-1h-indol-1-yl}acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)Cc3ccc(cc3)C(F)(F)F	2DV	[5-methoxy-2-({[4-(trifluoromethyl)benzyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc4ccccc4c3	2DW	{5-methoxy-2-[(naphthalen-2-ylsulfonyl)carbamoyl]-1h-indol-1-yl}acetic acid
+CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC	2DX	(3s,8ar)-2-[(2s)-2-cyclohexyl-2-{[(2s)-2-(methylamino)butanoyl]amino}acetyl]-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
+CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@@H]3Cc4ccccc4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC	2DY	(3s,10as)-2-[(2s)-2-cyclohexyl-2-{[(2s)-2-(methylamino)butanoyl]amino}acetyl]-n-[(4r)-3,4-dihydro-2h-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3ccc(cc3[N+](=O)[O-])C(F)(F)F	2DZ	[5-methoxy-2-({[2-nitro-4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1h-indol-1-yl]acetic acid
+CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)N3CCNCC3	2E1	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-piperazin-1-yl-1h-pyrazole-3-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)C(=O)O)P(=O)(O)O	2E2	1-{3,5-o-[(4-carboxyphenyl)(phosphono)methylidene]-2-deoxy-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+Cc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C	2E3	(2e)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid
+c1cc(cnc1)COP(=O)(O)OP(=O)(O)O	2E4	pyridin-3-ylmethyl trihydrogen diphosphate
+c1cnccc1COP(=O)(O)OP(=O)(O)O	2E5	pyridin-4-ylmethyl trihydrogen diphosphate
+c1ccnc(c1)COP(=O)(O)OP(=O)(O)O	2E6	pyridin-2-ylmethyl trihydrogen diphosphate
+c1cc(ncc1COP(=O)(O)OP(=O)(O)O)Cl	2E7	(6-chloropyridin-3-yl)methyl trihydrogen diphosphate
+CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N	2E8	3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C=CCc1cc(cc(c1O)CNCCCNC(=O)Nc2ccsc2)Cl	2E9	1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea
+c1ccc2c(c1)C(C=N2)C[C@@H](COc3cc(cnc3)c4ccc5cnccc5c4)N	2EA	(1s)-2-(1h-indol-3-yl)-1-{[(5-isoquinolin-6-ylpyridin-3-yl)oxy]methyl}ethylamine
+c1cscc1NC(=O)NCCCNCc2cc(cc(c2O)I)Cl	2EB	1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea
+CCn1cnc2c1ncnc2N	2EC	9-ethyl-9h-purin-6-ylamine
+CCCCCCCCCCCCC\C=C\[C@H]([C@@H](CO)NC(=O)C)O	2ED	n-[(1r,2r,3e)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide
+C=CCc1cc(cc(c1OCc2ccccc2)CNCCCNC(=O)Nc3ccsc3)Cl	2EE	1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea
+CCOc1c(cc(cc1I)Cl)CNCCCNC(=O)Nc2ccsc2	2EF	1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea
+CCNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	2EG	2'-deoxy-n-ethylguanosine 5'-phosphate
+CCCC[C@H](CC)CO	2EH	(2s)-2-ethylhexan-1-ol
+C#Cc1cccc(c1)CNCCCNC(=O)Nc2ccsc2	2EJ	1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea
+c1cscc1NC(=O)NCCCNCc2cc(sc2Cl)Cl	2EK	1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCOCCO	2EL	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3- ol
+Cc1c(c2ccccc2s1)CNCCCNC(=O)Nc3ccsc3	2EM	1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea
+C=CCc1cc(cc(c1OCC=C)CNCCCNC(=O)Nc2ccsc2)Cl	2EN	1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea
+CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)oc5c4CCCC5	2EO	2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-3-yl)acetamide
+CC[C@H]1CCCCN1	2EP	2-ethylpiperidine
+CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)CN4CCOCC4	2EQ	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N\C=N/CC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)N	2ER	[(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[[(z)-[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
+CC1=CC(=O)Oc2c1ccc(c2CN[C@@H](CC(C)C)C(=O)O)O	2ET	n-[(7-hydroxy-4-methyl-2-oxo-2h-chromen-8-yl)methyl]-l-leucine
+c1cc(sc1)S(=O)(=O)N2CCN(CC2)c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O	2EU	1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol
+[H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3Cl	2EV	(3s,4s)-1-[(2-chlorophenyl)sulfonyl]-n-[(2e)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide
+[H]/N=C/CNC(=O)[C@@H]1CN(C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3	2EW	(3s,4s)-n-[(2e)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide
+CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2COCC4)c5cccnc5F)N=C1N	2EX	(4r,4a's,10a's)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'h-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1h)-one
+C[C@H](c1cn(nn1)c2ccc(cc2)Cl)OC3=CC(=O)Nc4c3cccc4	2EY	4-{(1r)-1-[1-(4-chlorophenyl)-1h-1,2,3-triazol-4-yl]ethoxy}quinolin-2(1h)-one
+CCc1[nH]ccn1	2EZ	2-ethylimidazole
+C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N)Cl	2F0	2-chloro-5-{[(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br	2F1	1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
+COC	2F2	dimethyl ether
+Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4cc5ccccc5nc4Cl	2F3	1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid
+CNc1cc(ccn1)c2cccnc2Oc3ccc(cc3)Nc4[nH]c5c(n4)ccc(c5F)F	2F4	2-{4-[(6,7-difluoro-1h-benzimidazol-2-yl)amino]phenoxy}-n-methyl-3,4'-bipyridin-2'-amine
+c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5	2F5	1h-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone
+Cc1c(cn(n1)C)c2cc[nH]n2	2F6	1',3'-dimethyl-1h,1'h-3,4'-bipyrazole
+CC[C@@H](C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F	2F7	n-(4-fluorobenzoyl)-l-alloisoleucyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O	2F8	methyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
+CC(C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F	2F9	n-(4-fluorobenzoyl)-l-valyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N	2FA	2-(6-amino-2-fluoro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+Cc1nc2c(s1)[C@@](N=C2N)(c3ccc(cc3)OC)c4cccc(c4)c5cncnc5	2FB	(6r)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine
+CN1CCN(CC1)C(=O)Nc2ccc3c(c2)[C@@H](CCC3)NC(=O)c4ccccc4	2FC	n-[(8r)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide
+c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)F)N	2FD	5-(6-amino-2-fluoro-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol
+c1cn2cnc3c(c2n1)ncn3[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F	2FE	2'-fluoro-2'-deoxy-1,n6-ethenoadenine
+c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN	2FF	(5-(aminomethyl)-2h-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O	2FG	2-deoxy-2-fluoro-beta-d-galactopyranose
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)c(c8[n+]7c(c6)C(=C8CCC(=O)O)C)c9ccccc9)C)C=C)C(=C3C=C)C	2FH	2-phenylheme
+c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=CNC2=O	2FI	2'-fluoro-2'-deoxyinosine
+C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C(C=CC=C6)C7=[N]4C=CC=C7)[N]8=C9C(=CC=C8)c1c(nc2c3c4c6c(c2n1)C=CC=[N]6[Ru+2]12([N]4=CC=C3)([N]3=C(C=CC=C3)C3=[N]1C=CC=C3)[N]1=C(C=CC=C1)C1=[N]2C=CC=C1)C1=C9[N]5=CC=C1	2FJ	tetrakis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~13~,n~14~)diruthenium(4+) l enantiomer
+[O-]=O	2FK	superoxo ion
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)F)O)O)O	2FL	2-fluoro-2-deoxy-lactose
+C(CSC(F)F)[C@@H](C(=O)O)N	2FM	s-(difluoromethyl)homocysteine
+CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	2FN	n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-d-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide
+C(=CO)C=C(C(=N)C(=O)O)C(=O)O	2FO	(2z,3z)-2-[(2z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid
+C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O	2FP	1,6-fructose diphosphate (linear form)
+Cc1ncc2c(n1)N(C(=O)C(=C2)N)C	2FQ	6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1c2cnc(cc2n(n1)c3cccc(c3)CCC(=O)N)N[C@@H](C)c4ccccc4	2FR	3-[3-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
+c1ccc2c(c1)CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O	2FS	(1s,2r)-2-{[(1s)-1-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
+C(CC(C(=O)O)(F)F)C(=O)O	2FT	2,2-difluoropentanedioic acid
+C(=CC=O)C=O	2FU	but-2-enedial
+c1ccc2c(c1)cc(s2)CC(=O)O	2FX	1-benzothiophen-2-ylacetic acid
+CCC(=O)c1ccc(cc1O)O	2FY	1-(2,4-dihydroxy-phenyl)-propan-1-one
+CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c3ccc(cc3)F)N4CCN(CC4)C5COC5	2FZ	(3r,4s)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2h-chromen-3-yl methylcarbamate
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N)O)O)O	2G0	(2s)-1-[(2s)-6-amino-2-({[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl]acetyl}amino)hexanoyl]-n-[(1s)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide
+Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F	2G1	4-(2-methyl-1,3-thiazol-4-yl)-n-(3,3,3-trifluoropropyl)benzenesulfonamide
+C(CC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)[C@@H](C(=O)O)N	2G2	l-gamma-glutamyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
+CC(C)(C)CCN	2G3	3,3-dimethylbutan-1-amine
+c1ccc(cc1)CCCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	2G4	n-[(s)-hydroxy(4-phenylbutoxy)phosphoryl]-l-glutamic acid
+c1ccc(cc1)C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	2G5	n-[(s)-[(2s)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-l-glutamic acid
+CC(C)C[C@@H](C(=O)NCCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G6	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
+CC(C)C[C@@H](C(=O)NCC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G7	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-(isobutylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
+CCCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G8	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid
+CC[C@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2G9	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(((s)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid
+Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC	2GA	2-[(3,5-dimethyl-1h-pyrazol-4-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
+c1ccc(cc1)c2ccc(cc2)COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	2GB	n-[(s)-(biphenyl-4-ylmethoxy)(hydroxy)phosphoryl]-l-glutamic acid
+CC(C)C[C@@H](C(=O)NCCc1ccccc1)NP(=O)(CNC(=O)OCc2ccccc2)O	2GC	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl)phosphonamidic acid
+CNc1cc(nc(n1)N)c2cccc(c2Cl)Cl	2GD	6-(2,3-dichlorophenyl)-n~4~-methylpyrimidine-2,4-diamine
+c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3	2GE	n~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
+C1[C@@H](O[C@@H](C1=O)COP(=O)(O)O)N2C=C(C(=NC2=O)N)Cl	2GF	[(2r,5r)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2h)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate
+CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	2GG	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide
+CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	2GH	n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-pentyl-beta-alaninamide
+CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)C(C)C)c3ccc(cc3)CN4CCOCC4	2GJ	5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
+B(c1c(c2ccccc2s1)/C=C/C(=O)O)(O)O	2GK	(2e)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid
+C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)OC(=O)C	2GL	4-o-acetyl-2,6-dideoxy-beta-d-galactopyranose
+C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C	2GM	dihydroergotamine
+c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)c6n[nH]nn6	2GN	n-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide
+CCC1=C(C2=Cc3c(c(c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(=C(C8=C7C)O)C(=O)OC)C9=[N]6C(=C4)C(=C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C	2GO	[methyl 9-acetyl-14-ethyl-20-hydroxy-4,8,13,18-tetramethyl-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,20,21-tetradehydrophorbine-21-carboxylatato(2-)-kappa~4~n~23~,n~24~,n~25~,n~26~]zinc
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N	2GP	guanosine-2'-monophosphate
+c1ccc2c(c1)C=C(NC2=O)N3CCCC3	2GQ	3-(pyrrolidin-1-yl)isoquinolin-1(2h)-one
+c1ccc(cc1)C(=O)NCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	2GR	n-[(s)-[2-(benzoylamino)ethoxy](hydroxy)phosphoryl]-l-glutamic acid
+CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O	2GS	2-o-methyl-alpha-d-galactopyranose
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC#C	2GT	2'-o-propargyl thymidine-5'-monophosphate
+CC1(CC(=O)Nc2c1ccc(c2)NC(=O)c3cc(ccc3F)c4ccc5c(c4)cnc(n5)N)C	2GU	5-(2-aminoquinazolin-6-yl)-n-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide
+CC1([C@@H](N(C(=O)O1)c2ccc(cc2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C	2GV	(4s)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
+c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O	2GW	5-phenyl-uridine-5'-alpha-d-galactosyl-diphosphate
+c1ccc(cc1)C(c2ccccc2)[C@@H](C(=O)O)N	2GX	beta-phenyl-l-phenylalanine
+CC1([C@@H](N(C(=O)O1)C2CCC(CC2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C	2GY	(4s)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
+CC(C)C[C@@H](C(=O)NCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2GZ	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid
+CC(C)CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	2H0	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
+Cc1cc(cc2c1nc(cc2)OCc3ccccc3)c4c5c(ncnc5n(n4)C(C)C)N	2H1	3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)C(=O)NCCC(F)(F)F	2H2	4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-n-(3,3,3-trifluoropropyl)benzamide
+C1(C(C(C(C(C1O)O)O)O)O)O	2H3	(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
+c1cc(c(cc1C[C@H]2c3cc(c(cc3CCN2)O)O)O)O	2H4	(1s)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O	2H5	3-deoxy-3-fluoro-beta-d-galactopyranose
+c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(cc4)F	2H7	4-fluoro-n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide
+CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)N)C(=O)O	2H8	(3s,4r,5r)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+c1ccc(cc1)C(=O)N[C@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	2H9	n-[(s)-[(2r)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-l-glutamic acid
+C(C(=O)CO)O	2HA	dihydroxyacetone
+c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5	2HB	n-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
+c1ccc(c(c1)\C=C\C(=O)O)O	2HC	(2e)-3-(2-hydroxyphenyl)acrylic acid
+CCCCCCCC[P@@H](=O)OC[C@@H](COCCCC)OCCCC	2HD	(2r)-2,3-dibutoxypropyl (r)-octylphosphinate
+C(CP(=O)(O)O)O	2HE	(2-hydroxyethyl)phosphonic acid
+c1c([nH+]c([nH]1)F)C[C@@H](C(=O)O)N	2HF	2-fluoro-l-histidine
+C(CC(=O)O)[C@H](C(=O)O)O	2HG	(2r)-2-hydroxypentanedioic acid
+Cn1c(ccn1)C(=O)Nc2cccnc2	2HH	1-methyl-n-(pyridin-3-yl)-1h-pyrazole-5-carboxamide
+c1cc(ccc1[C@@H]2[C@H](Oc3cc(ccc3C2=O)O)O)O	2HI	(2s,3r)-2,7-dihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4h-chromen-4-one
+CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3	2HJ	4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-n-(pyridin-3-yl)benzamide
+COc1cc2cc-3c([nH][nH]c3c2cc1OCCN4CCCCC4)c5ccc(cc5)c6ccc(cc6)O	2HK	4'-{6-methoxy-7-[2-(piperidin-1-yl)ethoxy]-1,2-dihydroindeno[1,2-c]pyrazol-3-yl}biphenyl-4-ol
+c1ccc(cc1)C(=O)N2CCC(CC2)Cn3cnc4c3ccc(c4)C(=O)Nc5cccnc5	2HL	1-[(1-benzoylpiperidin-4-yl)methyl]-n-(pyridin-3-yl)-1h-benzimidazole-5-carboxamide
+CC(C)C[C@H](CC(=O)NO)C(=O)O	2HM	(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid
+C1[C@H]([C@@H](C(=O)[C@H]([C@]1(C(=O)O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O	2HN	(1r,2s,4s,5r)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
+c1cc(c(cc1C(=O)N)F)F	2HO	3,4-difluorobenzamide
+OP(=O)(O)[O-]	2HP	dihydrogenphosphate ion
+c1cc2c(cc1Cl)C(=O)C(=O)N2	2HQ	5-chloro-1h-indole-2,3-dione
+CCCCCC[P@@](=O)(O)OC[C@H](C)Cc1ccccc1	2HR	hexylphosphonic acid (r)-2-methyl-3-phenylpropyl ester
+CCCCCC[P@@](=O)(O)OC[C@@H](C)Cc1ccccc1	2HS	hexylphosphonic acid (s)-2-methyl-3-phenylpropyl ester
+Cc1cccc(c1)C#N	2HT	3-methylbenzonitrile
+c1cc2c(cc[nH]2)cc1[N+](=O)[O-]	2HU	5-nitro-1h-indole
+CC(=O)Nc1nc(cs1)C(=O)Nc2ccccc2N3CCCCC3	2HV	2-(acetylamino)-n-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
+c1cncc(c1N2CCC[C@@H](C2)N)NC(=O)c3c(nccn3)N	2HW	3-amino-n-{4-[(3s)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide
+C[C@H]1CN(C[C@H]([C@@H]1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	2HX	n-{4-[(3r,4r,5s)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
+CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3)C#N)C(=O)OCCO	2HY	2-hydroxyethyl (4r)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
+c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])/C=C\C(=O)O	2HZ	(2z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)I)N	2IA	2'-deoxy-2'-iodoadenosine 5'-(dihydrogen phosphate)
+Cc1ccccc1I	2IB	2-iodobenzyl group
+CN1C(=O)N(C(=O)[C@]12C[N@](C[C@H]2c3ccc(cc3)C#N)Cc4cc(cs4)C(=O)O)c5cc(cc(c5)Cl)Cl	2IC	5-[(5s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid
+CNc1c2c(nc(n1)I)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)O)OP(=O)(O)O	2ID	[(1r,2s,4s,5s)-4-[2-iodo-6-(methylamino)-9h-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
+CCC(=O)N1CCC[C@@H](C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N	2IE	2-(4-phenoxyphenoxy)-5-[(3r)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide
+c1cc(cc(c1)C(=O)NCCCC(=O)NCCC[C@H](C(=O)NO)NS(=O)(=O)c2ccc(cc2)OCc3cc(cc(c3)Br)Br)C(=O)NCCCC(=O)NCCC[C@H](C(=O)NO)NS(=O)(=O)c4ccc(cc4)OCc5cc(cc(c5)Br)Br	2IF	~{n}1,~{n}3-bis[4-[[(4~{r})-4-[[4-[[3,5-bis(bromanyl)phenyl]methoxy]phenyl]sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]amino]-4-oxidanylidene-butyl]benzene-1,3-dicarboxamide
+CCc1c(c(nc(n1)N)N)c2ccc3c4ccccc4n(c3c2)CCCOC	2IG	6-ethyl-5-[9-(3-methoxypropyl)-9h-carbazol-2-yl]pyrimidine-2,4-diamine
+c1cn(cn1)CCCCCCn2ccnc2	2IH	1,1'-hexane-1,6-diylbis(1h-imidazole)
+[H]/N=C\N1CCC[C@H](C1)c2cc(c(nc2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N	2IJ	5-{(3s)-1-[(z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
+Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N	2IK	6-[(2s)-2-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethyl]-4-methylpyridin-2-amine
+CCCCCCCCCCC[C@H](CC(=O)O)OC(=O)CCCCCCCCCCC	2IL	(3r)-3-(dodecanoyloxy)tetradecanoic acid
+C1CCNC(=N)C1	2IM	piperidin-2-imine
+c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N	2IN	n-(benzylsulfonyl)seryl-n~1~-{4-[amino(imino)methyl]benzyl}glycinamide
+CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C	2IO	(3s,6s)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
+[C@@H]1([C@H](C([C@@H]([C@H](C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O	2IP	d-myo-inositol-1,4-bisphosphate
+Cc1ccc(cc1Oc2nccc(n2)c3c(ncn3[C@@H]4CCN(C4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C(C)C	2IR	n,n-dimethyl-2-[(3r)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
+[H]/N=C(/CCC(=O)O)\C(=O)O	2IT	(2z)-2-iminopentanedioic acid
+Cc1ccnc2c1cccc2NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6	2IW	4-[(3ar,4s,7r,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(4-methylquinolin-8-yl)benzamide
+CN(CC(=O)N1CCN(CC1)c2nc(nc(n2)N3CCOCC3)c4cnc(nc4C(F)F)N)C(=O)C5CCN(CC5)C(=O)C=C	2IX	n-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-n-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide
+Cc1cccc2c1nc3c(n2)C4=CC=C[N]5=C4C6=C3C=CC=[N]6[Ru+2]578([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81	2J0	(10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+)
+c1c2c(cc(c1Cl)C(=O)O)[nH]c3c2CCCC3	2J1	6-chloro-2,3,4,9-tetrahydro-1h-carbazole-7-carboxylic acid
+c1cc2c(cc1Cl)c3c([nH]2)[C@@H](CCC3)C(=O)O	2J2	(1r)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1-carboxylic acid
+C[C@H](CO)OC[C@@H](C)OC[C@@H](C)O	2J3	(2r)-2-{[(2r)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
+C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)SC(=N2)N)O)O)O	2J4	(3ar,5r,6s,7r,7ar)-2-amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+Cc1cccnc1NCc2ccccc2O	2J5	2-{[(3-methylpyridin-2-yl)amino]methyl}phenol
+c1cc(c(nc1)NCc2ccc(cc2O)F)c3ncccn3	2J6	5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol
+c1ccc(c(c1)CNc2cc(ncn2)NCc3ccccc3O)O	2J7	2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol
+CC(C)[C@H]1c2nc(c[se]2)C(=O)N[C@H](c3nc(c[se]3)C(=O)N[C@H](c4nc(c[se]4)C(=O)N1)C(C)C)C(C)C	2J8	(4s,11s,18s)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
+c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3	2J9	4-cyclopropyl-7-fluoro-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+C/C(=C\CCP(=O)(O)OP(=O)(O)O)/CO	2JA	[(e)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid
+CCNCC(=O)O	2JC	n-ethylglycine
+CC(C)(COP(=O)(O)O)[C@H](C(=O)O)O	2JD	(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoic acid
+c1c(nc[nH]1)C(=O)SCCN	2JE	s-(2-aminoethyl) 1h-imidazole-4-carbothioate
+CC(C)C[C@@H](C(=O)NCCCC(=O)OC[C@@H](C=O)N)O	2JF	(2s)-2-amino-3-oxopropyl 4-{[(2s)-2-hydroxy-4-methylpentanoyl]amino}butanoate
+CCCCCC(=O)OC[C@@H](C=O)N	2JG	(2s)-2-amino-3-oxopropyl hexanoate
+C1CC(C1)C[C@@H](C(=O)O)N	2JH	3-cyclobutyl-l-alanine
+CCc1ccc2c(c1)c(c([nH]2)C)CC(=O)O	2JI	(5-ethyl-2-methyl-1h-indol-3-yl)acetic acid
+C(C[C@H](C(=O)O)N)CP(=O)(O)O	2JJ	5-phosphono-d-norvaline
+Cc1cc(c2c(c1)nc(cc2O)C(=O)O)C	2JK	4-hydroxy-5,7-dimethylquinoline-2-carboxylic acid
+c1ccc2c(c1)ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O	2JL	(2s,3r)-1-(phenanthren-2-ylcarbonyl)piperazine-2,3-dicarboxylic acid
+c1cc(c(c(c1)Br)O)c2c(c(c([nH]2)Br)Br)Br	2JM	2-bromo-6-(3,4,5-tribromo-1h-pyrrol-2-yl)phenol
+CCCC[C@](C)(C(=O)O)N	2JN	2-methyl-d-norleucine
+c1ccc2cnc(cc2c1)NC(=O)CCC(=O)O	2JP	4-(isoquinolin-3-ylamino)-4-oxobutanoic acid
+Cc1cccc(n1)NC(=O)c2ccc(cc2C(=O)O)C(F)(F)F	2JQ	2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid
+c1cc2c(cc[nH]2)cc1c3ncc(s3)C4(CCCCC4)N5CCCC5	2JR	5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole
+CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO	2JT	1,3-dihydroxypropan-2-yl octadecanoate
+c1ccc2c(c1)cccc2CNC(=O)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	2JU	2'-deoxy-5-[(naphthalen-1-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
+c1cc2ccc(c3c2c4c1ccc(c4cc3)N)NC5=Nc6c(ncn6[C@H]7C[C@@H]([C@H](O7)COP(O)(O)O)O)C(=O)N5	2JV	n-(8-aminopyren-1-yl)-2'-deoxy-5'-o-(trihydroxy-lambda~5~-phosphanyl)guanosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)[N+](=O)[O-])P(=O)(O)O	2JW	1-{2-deoxy-3,5-o-[(4-nitrophenyl)(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)OC[C@H](O2)C3=NNC(=S)N3	2JX	5-[(2r)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione
+c1cc(c(c(c1)Cl)Cl)OCc2ccc(o2)C(=O)O	2JY	5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid
+COc1ccc(cc1OC)Nc2nc(nc(n2)Nc3ccc4c(c3)cccn4)NCCc5ccccc5F	2JZ	n~2~-(3,4-dimethoxyphenyl)-n~4~-[2-(2-fluorophenyl)ethyl]-n~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
+c1cc(c(cc1CO)C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl	2K0	[2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl}methanone
+Cc1ccc(o1)C(=O)O	2K1	5-methylfuran-2-carboxylic acid
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC	2K2	pkc412
+CC(C)CC(=O)CC(=O)O	2K3	3-oxo-5-methylhexanoic acid
+c1cc2cn[nH]c2cc1O	2K4	1h-indazol-6-ol
+Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4cc(cc(c4)OC)OC	2K5	n~4~-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl}-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
+CC(=O)C[C@@H](CC#N)c1ccc(cc1)OC	2K6	(3r)-3-(4-methoxyphenyl)-5-oxohexanenitrile
+Cc1cc(on1)CNc2nccc(n2)Nc3cc(n[nH]3)CCc4ccc(c(c4)OC)OC	2K7	n~4~-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
+C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O	2K8	(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid
+c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5	2K9	9-phenyl-4h-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one
+c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O	2KA	2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCCCC#N)O)C	2KB	4-{[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}butanenitrile
+CC1(CCN(CC1)Cc2ccn3c2c(ncn3)Nc4cc(cc(c4)Br)O)N	2KC	3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol
+COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)c2cc(c3cc(ccc3n2)c4cccc(c4)Cl)C(=O)O	2KD	6-(3-chlorophenyl)-2-{[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2cccc(c2)S(=O)(=O)N)Nc3ccc4c(c3)ccnc4N	2KE	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NCc2ccccc2S(=O)(=O)C(C)C)Nc3ccc4c(c3)ccnc4N	2KF	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-[2-(propan-2-ylsulfonyl)benzyl]ethanamide
+CC1([C@@H](N(C1=O)c2cccc(c2)S(=O)(=O)C)c3ccccc3OC)C	2KG	(4s)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O	2KH	5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOCC	2KJ	n~5~-(n-ethoxycarbamimidoyl)-l-ornithine
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)F	2KK	n~6~-(4-fluorobenzoyl)-l-lysine
+CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN4CCCC4	2KL	2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide
+CCNC(=O)c1cc(cc(c1)C(=O)NCC)C(=O)NCC	2KN	n,n',n''-triethylbenzene-1,3,5-tricarboxamide
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCOCCn5cc(nn5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC	2KO	2-{2-[2-(2-{4-[(alpha-d-mannopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)Br	2KP	n~6~-(4-bromobenzoyl)-l-lysine
+C[C@](CC(=O)O)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	2KQ	 (3s)-3-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxidanyl-butanoic acid
+Cc1ccc(nc1)Nc2ccc(cc2)n3c4c(cccn4)nc3OC	2KR	n-[4-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine
+c1ccc(cc1)/C=C/COC2CCC(CC2)(CN)c3ccccc3	2KS	1-(cis-1-phenyl-4-{[(2e)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine
+CCC(=O)C(=O)O	2KT	2-ketobutyric acid
+COCCCNc1c2c([nH]cn2)ncn1	2KU	n-(3-methoxypropyl)-9h-purin-6-amine
+c1cc(cc(c1)Cl)C2(CCC(CC2)N3CCCCC3=O)CN	2KV	1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one
+CN1C(=NNC1=O)CN2C=CC(=C(C2=O)Oc3cc(cc(c3)Cl)C#N)C(F)(F)F	2KW	3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile
+c1ccc2c(c1)cc(c(n2)CCCCC[C@@H]3CCC[C@H]3OC(=O)O)O	2KX	(1r,2r)-2-[5-(3-hydroxyquinolin-2-yl)pentyl]cyclopentyl hydrogen carbonate
+C1CCC(C1)[C@@H](C(=O)O)N	2KY	(2s)-amino(cyclopentyl)ethanoic acid
+C(=C(\C(=O)O)/N)\C(=O)O	2KZ	2-amino maleic acid
+C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O	2L0	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-leucinamide
+Cc1c([nH]cn1)CN2CCc3ccccc3C2	2L1	2-[(4-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
+Cc1c([nH]cn1)CN2CCc3cccc(c3C2)N	2L2	2-[(4-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+C[C@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O	2L3	(2r)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
+C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)/N=C/C=O	2L4	1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
+c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl	2L5	2-chloro-l-phenylalanine
+C1C[C@]2(C=C[C@@H]3CC[C@H](N3C2=O)C(=O)O)NC1	2L6	(3s,6r,8as)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
+CC(C)(C(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N)Br	2L7	4-[(2-bromo-2-methylpropanoyl)amino]-l-phenylalanine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)Cn3cc(nn3)CO[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O	2L8	[(2r,3s,5r)-3-[(1-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate 
+C1CN[C@H]2[C@H]1C=C[C@H]3C=C[C@H](N3C2=O)C(=O)O	2L9	(3ar,5as,8s,10as)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid
+c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N)CN	2LA	2-amino-5-(aminomethyl)-7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C[C@@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O	2LB	(2s)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc(c(c(c3)F)C(=O)N)N[C@H]4CCOC4	2LC	2-fluoro-6-[(3s)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide
+c1ccc(cc1)CCC2=CNC(=O)C(=C2)O	2LD	3-hydroxy-5-(2-phenylethyl)pyridin-2(1h)-one
+CCCCC[C@H]1CC[C@@H](O1)O	2LE	(2r,5s)-5-pentyltetrahydrofuran-2-ol
+C1[C@@H]([C@H]2[C@H](c3nc4c(n3[C@@H]1O2)N=C(NC4=O)N)OP(=O)(O)O)O	2LF	(6s,7s,8s,10r)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4h-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate
+CCN(CC)S(=O)(=O)c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCC3)C#N)Cl	2LG	2-chloro-n-(3-cyano-5,6-dihydro-4h-cyclopenta[b]thiophen-2-yl)-5-diethylsulfamoyl-benzamide
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@]2(CCc3c(cn[nH]3)C2)c4cccc(c4)C(C)(C)C)O	2LI	n-[(1s,2r)-3-{[(5s)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1h-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
+CC/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O	2LJ	1-deoxy-1-({2,6-dioxo-5-[(e)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
+Cc1c(c(on1)C)c2ccc3c(c2)ncn3Cc4ccc(cc4)Cl	2LK	1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1h-benzimidazole
+Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5	2LL	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1h-benzimidazole
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CCSC)/C(=O)O)O	2LM	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-4-(methylsulfanyl)butanoic acid
+CCC(=O)N1CCOc2c(cc(cc2OC[C@@H]3CCCN(C3)C)c4ccc(c(c4)OC)OC)C1	2LN	1-[7-(3,4-dimethoxyphenyl)-9-{[(3r)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5h)-yl]propan-1-one
+Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C[C@H](C)N4CCOCC4)CCc5ccc(c(c5)Cl)OC	2LO	2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2s)-2-(morpholin-4-yl)propyl]-1h-benzimidazole
+C=CCc1ccccc1O	2LP	2-allylphenol
+c1cc(ccc1C[C@@H](C(=O)O)N)NC(=O)[C@@H]2CCC/C=C/CC2	2LQ	4-{[(1r,4e)-cyclooct-4-en-1-ylcarbonyl]amino}-l-phenylalanine
+CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	2LR	n-[(benzyloxy)carbonyl]-l-leucyl-n-{(1r,2s)-1-hydroxy-4-methyl-1-[(2r)-2-methyloxiran-2-yl]pentan-2-yl}-l-leucinamide
+CC(C)C[C@@H]([C@H]([C@]1(CO1)C)O)N	2LS	(1r,2s)-2-amino-4-methyl-1-[(2r)-2-methyloxiran-2-yl]pentan-1-ol
+c1c(cc(c(c1Cl)O)Cl)C[C@@H](C(=O)O)N	2LT	3,5-dichloro-l-tyrosine
+CC(C)C[C@@H](C)N	2LU	2-amino-4-methyl-pentanyl group
+CC(C)C[C@@H]([C@@H](C(=O)Nc1ccccc1)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	2LV	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s,3s)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-l-leucinamide
+CC(=O)N1CCc2c(c3cc(ccc3[nH]2)Cl)C1	2LW	1-(8-chloro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)ethanone
+CNC(=O)c1ccccc1OC2CCOCC2	2LX	n-methyl-2-(tetrahydro-2h-pyran-4-yloxy)benzamide
+CNC(=O)c1c2c(cs1)OCCO2	2LY	n-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
+c1cc2c(cc1F)c(c[nH]2)CC(=O)O	2LZ	(5-fluoro-1h-indol-3-yl)acetic acid
+CC(C)C[C@@H](CCS(=O)(=O)C)N	2M0	(3s)-5-methyl-1-(methylsulfonyl)hexan-3-amine
+CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	2M1	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(3s)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-l-leucinamide
+Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4	2M2	n~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-n~4~-[5-(2-phenylethyl)-1h-pyrazol-3-yl]pyrimidine-2,4-diamine
+Cc1c(c2cccnc2[nH]1)[C@@H]3CCN(C3)C(=O)C4(CC4)c5ccccn5	2M3	2-methyl-3-{(3s)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1h-pyrrolo[2,3-b]pyridine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	2M4	2-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose
+C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O)O	2M5	methyl 7-deoxy-l-glycero-alpha-d-manno-heptopyranoside
+C[C@H]1[C@H]([C@H]([C@@H](N1)C#Cc2ccccc2)O)O	2M7	(2s,3r,4s,5s)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O	2M8	(2r)-3-hydroxy-2-(alpha-d-mannopyranosyloxy)propanoic acid
+COc1cc(c2ccc3c(cc(c4c3c2c1cc4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	2M9	8-methoxypyrene-1,3,6-trisulfonic acid
+CC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=N)N1	2MA	2-methyladenosine-5'-monophosphate
+CC=C(C)C	2MB	2-methyl but-2-ene
+CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	2MC	methacrylyl-coenzyme a
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@@H]([C@@H]([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N	2MD	guanylate-o'-phosphoric acid mono-(2-amino-5,6-dimercapto-4-oxo-3,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester
+CCOC	2ME	methoxyethane
+CNC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1	2MG	2n-methylguanosine-5'-monophosphate
+CC1CCC(CC1)N	2MH	cis-4-methylcyclohexanamine
+Cc1cc2ccccc2[nH]1	2MI	2-methyl-1h-indole
+CC(C)C[C@@H]([C@H](CO)O)N	2MJ	(2r,3s)-3-amino-5-methylhexane-1,2-diol
+CC(C)C[C@@H]([C@H](CO)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	2MK	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2r,3s)-1,2-dihydroxy-5-methylhexan-3-yl]-l-leucinamide
+CC(C)C[C@@](C)(C(=O)O)N	2ML	2-methylleucine
+CN(C)[C@@H](CCSC)C(=O)O	2MM	n,n-dimethyl-l-methionine
+Cc1ncc(n1CCO)[N+](=O)[O-]	2MN	metronidazole
+O=[Mo]=O	2MO	molybdenum (iv)oxide
+Cc1ccc(cc1C)O	2MP	3,4-dimethylphenol
+CNc1[nH]c2c(n1)cc3c(c2CCN)N=C(NC3=O)N	2MQ	6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CN/C(=N/C)/NCCC[C@@H](C(=O)O)N	2MR	n3, n4-dimethylarginine
+CC1(N[C@@H](CS1)C(=O)O)C	2MT	(4r)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	2MU	2',5-dimethyluridine-5'-monophosphate
+C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O	2MV	(1s,2s,3r,5z,7e,14beta,17alpha)-17-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol
+CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)c4ccc(cc4)N(C)Cc5cnc6c(n5)c(nc(n6)N)N)C(=O)O	2MX	(2s,2's)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name)
+Cc1cccc(c1O)C	2MY	2,6-dimethylphenol
+Cc1[nH]ccn1	2MZ	2-methylimidazole
+CCc1cc2c(n1Cc3ccccc3)CCCC2=O	2N0	1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4h-indol-4-one
+c1cc(c(cc1NC(=S)NCCCCCC=O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O	2N2	2-(3,6-dihydroxy-9h-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid
+CC(C)Oc1cc2c(cc1NS(=O)(=O)C)oc(c2C(=O)NC)c3ccc(cc3)F	2N5	2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide
+Cc1ccc(c(c1)C)c2c3c(c[nH]c3nc(n2)SC)C#N	2N6	4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]34C[C@H]3c5cc(ccc5-c6c(c7ccc(cc7n6C4)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8)OC	2N7	(1ar,12bs)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1r,5s)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide
+CS(=O)(=O)c1ccc(cc1Cl)[C@@H](C[C@H]2CCC(=O)C2)C(=O)Nc3cnccn3	2N8	(2r)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1r)-3-oxocyclopentyl]-n-(pyrazin-2-yl)propanamide
+CCOC(=O)c1cnc2ccccc2c1N	2N9	ethyl 4-aminoquinoline-3-carboxylate
+c1ccc2cc(ccc2c1)CO	2NA	naphthalen-2-ylmethanol
+c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])N	2NB	3-nitroquinolin-4-amine
+CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C	2NC	n-{(2s)-2-[(n-acetyl-l-threonyl-l-isoleucyl)amino]hexyl}-l-norleucyl-l-glutaminyl-n~5~-[amino(iminio)methyl]-l-ornithinamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC2=O	2ND	2'-deoxyinosine
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O	2NE	salicylyl coa
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)F)C(=O)N	2NF	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate
+Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O	2NG	4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)NC(=O)C	2NH	n-acetyl-s-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl]-l-cysteinyl-d-valyl-l-isoleucyl-l-methionine
+CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO	2NI	n-{2-[(4'-cyano-1,1'-biphenyl-4-yl)oxy]ethyl}-n'-hydroxy-n-methylurea
+CN1c2ccccc2N[C@@H](CC1=O)c3ccccc3	2NJ	(4s)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+CN1CCN(CC1)c2ccc(cc2)c3ccncc3c4cc(c(c(c4)F)O)F	2NK	2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol
+CNC(=O)COc1cccc(c1)Nc2cc(ccn2)Cl	2NL	2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-n-methylacetamide
+COc1cccc(c1)c2cc([nH]n2)C(F)(F)F	2NM	3-(3-methoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole
+N(=O)[O]	2NO	nitrogen dioxide
+C=C(CCC[C@@H](C(=O)O)N)C(=O)O	2NP	l-2-amino-6-methylene-pimelic acid
+c1cc(ccc1F)S(=O)(=O)Nc2cc(cnc2Cl)c3ccc4c(c3)c(ccn4)N5CCOCC5	2NQ	n-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide
+COc1cccc(c1c2cccc3c2oc(n3)Nc4cc(c(c(c4)OC)OC)OC)F	2NR	7-(2-fluoro-6-methoxyphenyl)-n-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
+COc1cc(cc(c1OC)OC)Nc2nc3cccc(c3o2)c4cccc5c4[nH]cn5	2NS	7-(1h-benzimidazol-7-yl)-n-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCONCO	2NT	2'-o-[2-[hydroxy(methyleneamino)oxy]ethyl thymidine-5'-monophosphate
+CN(C1CC1)C(=O)Cn2cc(cn2)Br	2NU	2-(4-bromanylpyrazol-1-yl)-~{n}-cyclopropyl-~{n}-methyl-ethanamide
+CCOCCOCCOCCOCCOC[C@@H](C)N	2NV	3,6,9,12,15-pentaoxaoctadecan-17-amine
+c1ccc2c(c1)c(c(cn2)Br)N	2NW	3-bromoquinolin-4-amine
+COP(=O)(NC(=O)c1ccccc1)OC	2NX	dimethyl benzoylphosphoramidate
+CCN(CC)c1nc2ccccc2c(n1)N	2NY	n~2~,n~2~-diethylquinazoline-2,4-diamine
+CC(=O)Cn1cnc2c1cccc2	2NZ	1-(1h-benzimidazol-1-yl)propan-2-one
+c1ccc2c(c1)ncn2CCC(=O)N	2O0	3-(1h-benzimidazol-1-yl)propanamide
+c1ccc2c(c1)c3c(cn2)C(=O)CCN3	2O1	2,3-dihydrobenzo[h][1,6]naphthyridin-4(1h)-one
+c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/P(=O)(O)O)P(=O)(O)O	2O2	1-{2-deoxy-3,5-o-[phenyl(phosphono)methylidene]-beta-d-threo-pentofuranosyl}-5-[(e)-2-phosphonoethenyl]pyrimidine-2,4(1h,3h)-dione
+C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cccc4	2O3	(3r)-n-[3-(3,4-dihydroquinolin-1(2h)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
+C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC	2O4	(3r)-n-[3-(7-methoxy-3,4-dihydroquinolin-1(2h)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
+c1cc(cc(c1)Cl)c2nc(nc(n2)Nc3ccc(cc3)CC(=O)O)C4CC4	2O5	(4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid
+c1cc2c(cc1C(F)(F)F)c(no2)N	2O6	5-(trifluoromethyl)-1,2-benzoxazol-3-amine
+c1cc(ccc1C[C@]23CCCN2C(=O)C(=C3C#N)c4cc(cc(c4)Cl)Cl)C#N	2O7	7a-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1h-pyrrolo[1,2-a]pyrrole-7-carbonitrile
+c1cc(ccc1C(=O)N)SC(F)(F)F	2O8	4-[(trifluoromethyl)sulfanyl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N	2OA	2'deoxyadenosine-5'-triphosphate
+CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C	2OB	cholesteryl oleate
+COc1cc2c(cc1OCCCN3CCCC3)N=C(C24CCC4)N	2OD	5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine
+Cc1cc(cc(n1)c2ccccc2)Oc3cccc(c3)O	2OE	3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol
+[OH2][Fe+2][OH2]	2OF	ferrous ion, 2 waters coordinated
+C(CC(=O)O)C(=O)C(=O)O	2OG	2-oxo-glutaric acid
+CC(C)(c1ccc(cc1)O)c2ccc(cc2)O	2OH	4,4'-propane-2,2-diyldiphenol
+CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	2OJ	n-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide
+Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC	2OK	4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
+COCCNc1nc2ccc(cc2n1c3ccnc(n3)N)C#CC4(CCCCC4)O	2OL	1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1h-benzimidazol-6-yl}ethynyl)cyclohexanol
+C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O	2OM	5,6-dihydroorotidine 5'-monophosphate
+c1[nH]c2c(n1)C(=O)NC(=N2)S	2ON	2-sulfanyl-1,9-dihydro-6h-purin-6-one
+CCNc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC(C)(C)O	2OO	4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1h-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol
+C[C@@H](C(=O)O)O	2OP	(2s)-2-hydroxypropanoic acid
+Cc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC4(CCCCC4)O	2OQ	1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1h-benzimidazol-6-yl]ethynyl}cyclohexanol
+C([C@H]([C@@H]([C@@H](C(=O)O)N)O)O)NC(=[NH2+])N	2OR	amino{[(2r,3r,4s)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium
+CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)CO)O	2OS	3-n-octanoylsucrose
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCON(C)C	2OT	2'-o-[2-(n,n-dimethylaminooxy)ethyl] thymidine-5'-monophosphate
+c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	2OU	(2-{[(1s,2r,3r,4r,5s,6s)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid
+c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OCc3ccccc3)OP(=O)(O)O)OP(=O)(O)O	2OV	(1r,2r,3r,4s,5s,6s)-3,6-bis(benzyloxy)cyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)]
+Cc1ccc(cn1)NC(=O)Nc2cccc(c2F)CN3CCN(CC3)C(=O)OC	2OW	methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate
+C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)c3ccccc3)O)O	2OX	(2s,3r,4s,5s)-2-methyl-5-(1-phenyl-1h-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol
+Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)[C@@H](CCl)O	2OY	n-[(2s,3s)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (bound form)
+c1cc(ccc1NC(=S)N2C[C@@H]([C@H]([C@H]([C@H]2CO)O)O)O)F	2OZ	(2r,3s,4r,5s)-n-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide
+C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O	2P0	1-({[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-l-proline
+c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3)C(F)(F)F	2P1	n-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2h-pyrazolo[3,4-b]pyridine-5-carboxamide
+CC(C)(C)[C@H]1CC[C@H](N1C(=O)CCCc2ccccc2)C(=O)N3CCC[C@H]3[C@H](CO)O	2P2	1-[(2r,5s)-2-tert-butyl-5-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
+c1ccc2c(c1)OC[C@@H](O2)C3=NNC(=S)N3	2P3	5-[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3h-1,2,4-triazole-3-thione
+c1ccc(cc1)CNC(=O)C2=CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O	2P4	(5r)-n-benzyl-5-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)[nH]cn4	2P5	4-tert-butyl-n-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7h-purin-2-yl)phenyl]benzamide
+c1ccc(cc1)CCCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N	2P6	(2s)-1-[1-(4-phenylbutanoyl)-l-prolyl]pyrrolidine-2-carbonitrile
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)O	2P7	[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-(3-oxidanylazetidin-1-yl)methanone
+c1ccc(cc1)CNC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O	2P8	(2s)-n-benzyl-2-({(2s)-2-[(1r)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
+c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	2P9	5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+NP(=O)(N)O	2PA	diamidophosphate
+c1ccc(c(c1)C(=O)[O-])O[P@H](=O)[O-]	2PB	2-[(dioxidophosphino)oxy]benzoate
+C1CC(=[NH+]C1)C(=O)[O-]	2PC	3,4-dihydro-2h-pyrrolium-5-carboxylate
+CC(C)CCN1C(=O)C(=C(C(=N1)c2ccccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OC	2PD	5-hydroxy-4-(7-methoxy-1,1-dioxido-2h-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2h)-one
+C(COCCOCCOCCOCCOCCOCCOCCOCCO)O	2PE	nonaethylene glycol
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34[N@@]2[C@@H](C[C@@H]4c5c(c(c(c(c5F)F)F)F)F)O)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O	2PF	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(1r,3r,3as)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]pentyl dihydrogen diphosphate
+C([C@H](C(=O)O)OP(=O)(O)O)O	2PG	2-phosphoglyceric acid
+C1C(=NC2=C(N1)N=C(NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O	2PH	[7,8-dihydro-pterin-6-yl methanyl]-phosphonophosphate
+CCC[C@@H](C(=O)O)N	2PI	2-amino-pentanoic acid
+CC(C)(C)OC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)F	2PJ	tert-butyl [(2s)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
+[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)O)/S1	2PK	(5~{e})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
+C(C(=O)O)OP(=O)(O)O	2PL	phosphoglycolic acid
+CN(C)CCOC(c1ccccc1)c2ccccc2	2PM	n-[2-(benzhydryloxy)ethyl]-n,n-dimethylamine
+N(P(=O)(O)O)P(=O)(O)O	2PN	imidodiphosphoric acid
+[O-]P(=O)[O-]	2PO	phosphonate
+CCCC(CCC)C(=O)O	2PP	2-propyl-pentanoic acid
+CCCc1cc(ccc1OCCCN2CCCc3c2cccc3OC(C)(C)C(=O)O)C(=O)c4ccc(cc4)c5ccccc5	2PQ	2-[(1-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid
+c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	2PR	2-amino-9-[2-deoxyribofuranosyl]-9h-purine-5'-monophosphate
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)N	2PS	phenyl (3s)-3-amino-5-phenylpentane-1-sulfonate
+CNC(=[S][Pt+2]1[NH2]CC[NH2]1)N(C)CCNc2c3ccccc3[nH+]c4c2cccc4	2PT	1-[2-(acridin-9-ylamino)ethyl]-1,3-dimethylthiourea-platinum(ii)-ethane-1,2-diamine
+c1cc2c(c(c1)NC(=O)Nc3cc([nH]n3)[C@@H]4CCCN4)[C@@H]5CCCN5C2=O	2PU	1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-(5-pyrrolidin-2-yl-1h-pyrazol-3-yl)-urea
+[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)N)/S1	2PV	(5~{e})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one
+CC[C@@H](C)N1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S	2PW	(5~{e})-3-[(2~{r})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+Cc1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N	2PX	n-{1-[(5-methyl-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide
+c1cc2c(cc1c3cc(cnc3)OC[C@H](CC4=C5C=CC=CC5N=C4)N)cn[nH]2	2PY	(2s)-1-{[5-(1h-indazol-5-yl)pyridin-3-yl]oxy}-3-[(7as)-7ah-indol-3-yl]propan-2-amine
+c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN	2PZ	n-[1-(1h-indol-3-ylmethyl)piperidin-4-yl]glycinamide
+CC(C)CN1C(=O)/C(=C/c2ccc(cc2)O)/SC1=S	2Q0	(5~{z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
+C([C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O)O	2Q2	l-galactonic acid
+CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC(C)(C)O	2Q4	n-{(2r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide
+C[C@H](CO)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O	2Q5	(2r)-2-{[(2r)-2-{[(2s)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol
+COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3ccc(cc3)OCCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N	2Q6	methyl [(2s)-2-[4-({5-[4-({(2s)-2-[(3s)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate
+C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N2CCN(CC2)c3nc(nc(n3)N4CCOCC4)c5cnc(nc5C(F)F)N	2Q7	n-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide
+CC1(Cc2c(c3c(n2c4ccc(cc4)C(=O)N)CN(CC3)C)C(=O)C1)C	2Q8	4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9h-beta-carbolin-9-yl)benzamide
+CC(C)Nc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C	2Q9	2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5h-beta-carbolin-5-one
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)C5CCCC5)C(=O)NCC4	2QA	8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)-3,4-dihydroisoquinolin-1(2h)-one
+Cc1ncc(c(n1)N)CN=[N+]=[N-]	2QB	5-(azidomethyl)-2-methylpyrimidin-4-amine
+c1cc(ccc1CN)c2csnn2	2QC	1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine
+CNC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O	2QD	(4r)-4-[3-(methylamino)-3-oxopropyl]-l-glutamic acid
+COC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O	2QE	(2s,4r)-4-(3-methoxy-3-oxopropyl) glutamic acid
+c1cc2cc(ccn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F	2QF	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide
+c1cc(ccc1OCCCCCC/N=C(\NC#N)/Nc2ccncc2)Cl	2QG	2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
+Cc1cc(ccc1OC)[C@]2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(c(c4)c5cccnc5)F	2QH	(8r)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
+C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2cccc(c2)Br)(C(F)(F)F)O	2QJ	(2r)-n-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
+CC[C@H](c1ccccc1Cl)NC(=O)c2ccc3c(c2)c(n[nH]3)c4ccc(cc4)OC5CCN(CC5)C	2QK	n-[(1r)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1h-indazole-5-carboxamide
+c1ccc2c(c1)c3cccc4c3c5c2c6c(cc5cc4)[C@H]([C@@H]([C@@H](C6)O)O)O	2QL	(11r,12r,13r)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol
+c1cc(ccc1[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O)O	2QM	n~2~-{[(s)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](Cc2ccncc2)C(=O)O)I	2QN	n~2~-{[(1s)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+C=CCc1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O	2QO	(2e)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid
+c1cc(oc1)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O	2QP	n~2~-{[(1s)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+C#CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O	2QQ	n~2~-{[(1s)-1-carboxybut-3-yn-1-yl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H]2CO[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O	2QR	(2r,3r,4s,5s)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]tetrahydro-2h-pyr an-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](C[C@H]2CO2)C(=O)O)I	2QS	(2s)-2-[({(1s)-1-carboxy-2-[(2s)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid (non-preferred name)
+c1cc2c(cc1c3cc(cc(c3)F)NC(=O)CN4CCCC4)c(ncn2)N	2QT	n-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide
+c1cc(nc2c1ncnc2N)c3ccnc(c3)F	2QU	6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine
+c1cc(cc(c1)Cl)c2ccc3c(c2)c(ncn3)N	2QV	6-(3-chlorophenyl)quinazolin-4-amine
+Cc1ccc(cc1)NC(=O)[C@H](C2CCCCC2)NC(=O)[C@H](CC[Se]C)N	2QW	(2s)-2-amino-n-{(1s)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide
+COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)CCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N	2QX	methyl [(2s)-2-(5-{5-[4-({(2s)-2-[(3s)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
+CN/C(=C\c1ccc(cc1)O)/C(=O)O	2QY	(2z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid
+C[C@H]([C@@H](C(=O)O)N(C)C)O	2QZ	n,n-dimethyl-l-threonine
+C1[C@H](O1)/C(=C(\C(=O)O)/N)/CO	2R1	(2e)-2-amino-4-hydroxy-3-[(2r)-oxiran-2-yl]but-2-enoic acid
+Cc1c(cc2c(c1[N+](=O)[O-])sc(n2)C(=O)N3CCN(CC3)CCOC)C(F)(F)F	2R2	[4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone
+COc1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O	2R3	(betar)-beta-hydroxy-o-methyl-l-tyrosine
+c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6	2R4	8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4h-chromen-4-one
+Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCn4cccc4	2R5	n-tert-butyl-3-{[5-methyl-2-({4-[2-(1h-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)CC(C)C)C(=O)NCC4	2R6	8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)-3,4-dihydroisoquinolin-1(2h)-one
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)NC2(CC2)C(=O)O)I	2R7	n~2~-[(1-carboxycyclopropyl)carbamoyl]-n~6~-(4-iodobenzoyl)-l-lysine
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5ccc(cc5ccn4)OC)NC(=O)OC(C)(C)C	2R8	n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-l-prolinamide
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C	2R9	n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-l-prolinamide
+C([C@H](C(=O)O)N)N	2RA	3-amino-d-alanine
+COc1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	2RB	n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
+CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C	2RC	[6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
+CCCCCCCCCCCCSc1c(nn[nH]1)C(=O)O	2RD	5-(dodecylthio)-1h-1,2,3-triazole-4-carboxylic acid
+c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O	2RE	4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1h-imidazol-2-yl]phenol
+c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O	2RF	3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1h-pyrrole-2,5-dione
+C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O	2RG	(2s,3r,4s)-4-({(3s,5s)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1s,2r)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+CC(C)C[C@H](C(=O)O)O	2RH	(2r)-2-hydroxy-4-methylpentanoic acid
+C[C@@H](c1ccc(cc1)F)NC(=O)[C@@H](c2cccnc2)N(c3ccc4c5ccccc5oc4c3)C(=O)[C@@H](C)O	2RI	(2~{r})-~{n}-dibenzofuran-3-yl-~{n}-[(1~{r})-2-[[(1~{s})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide
+Cc1cccc(c1C)Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F	2RJ	2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidine
+C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2	2RK	4-[(5z)-5-(1-nitroso-2,3-dihydro-5h-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4h-imidazol-4-ylidene]-1,4-dihydropyridine
+COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)OCCN4C(=O)Nc5ccc(cc5)Cl	2RL	n-(4-chlorophenyl)-7-[(6,7-dimethoxyquinolin-4-yl)oxy]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
+c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F	2RM	n-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide
+c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O	2RN	3-[2-phenyl-4-(pyridin-4-yl)-1h-imidazol-5-yl]phenol
+CC(C)(C)c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O	2RO	5-[2-(4-tert-butylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CCC[C@@H](C)O	2RP	(2r)-pentan-2-ol
+COc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F	2RQ	4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine
+c1ccc2c(c1)nc(n2CC(=O)c3ccc(cc3)N)c4c(non4)NCCC#N	2RR	3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1h-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile
+Cc1cc(c(c(c1)C)Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C	2RS	4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
+Cc1cc(c(c(c1)C)Nc2ncnc(n2)Nc3ccc(cc3)C#N)C	2RT	4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
+CC(C)C(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)C(F)(F)F	2RU	1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
+CCC(=O)N1CCC(CC1)NC(=O)Nc2ccc(cc2)OC(F)(F)F	2RV	1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H](CCO4)O)O)O)N	2RW	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s)-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C([C@@H](C(=O)O)N)OP(=O)(O)S	2RX	o-thiophosphono-l-serine
+c1ccc(c(c1)CC(=O)N2CCN(CC2)c3c4c5c(sc4ncn3)CCC5)C(F)(F)F	2RY	1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
+[H]/N=C(\N[C@H](Cc1ccccc1)C(=O)NCc2ccc(c(c2)OC)OC)/NC(=O)Cc3ccc(c(c3)OC)OC	2RZ	n-(3,4-dimethoxybenzyl)-nalpha-{n-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-d-phenylalaninamide
+CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)OC(=O)C	2S0	[(8s,11r,13s,14s,17r)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen ta[a]phenanthren-17-yl] acetate
+COc1cc(c(cc1OC)Br)C(=O)N[C@@H](Cc2cccc(c2)Oc3ccccc3)[C@H](CN(CCc4ccc(cc4Cl)Cl)C(=O)CCN5C(=O)c6ccccc6C5=O)O	2S1	2-bromo-n-[(2s,3s)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide
+CCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	2S2	(2s)-2-(1h-indol-3-yl)hexanoic acid
+CCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	2S3	(2s)-2-(1h-indol-3-yl)pentanoic acid
+[H]/N=C(/NCc1ccc(cc1)C)\NC(=O)Cc2ccc(c(c2)OC)OC	2S4	2-(3,4-dimethoxyphenyl)-n-[n-(4-methylbenzyl)carbamimidoyl]acetamide
+c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2S6	4-(3-{4-[(r)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
+c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2S7	4-(3-{4-[(s)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile
+CC(C)(C)OC(=O)NCCCCCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	2S8	(2s)-8-[(tert-butoxycarbonyl)amino]-2-(1h-indol-3-yl)octanoic acid
+c1cc(cc(c1)F)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2S9	4-(3-{4-[(r)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N[C@@H](CC(=O)O)C(=O)O	2SA	2-[9-(3,4-dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-9h-purin-6-ylamino]-succinic acid
+c1ccc(cc1)[C@@H](C(=O)N/N=C/c2ccc(c(c2)Br)O)N	2SB	(2s)-2-amino-n'-[(1e)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)CO)NCc4cccnc4	2SC	(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
+c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)S(=O)(=O)N)O	2SE	4-(3-{4-[(s)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide
+c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)N	2SF	4-(3-{4-[(r)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)(S)S)O)O)N=C(NC2=O)N	2SG	guanosine phosphorodithioate
+c1cc(c(cc1[C@@H](CO)NC(=O)N2CCc3cnc(nc3C2)NC4CCOCC4)Cl)F	2SH	n-[(1s)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2h-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6h)-carboxamide
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O	2SI	2-o-sulfo-a-l-iduronic acid
+CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)O)OC)OC)OC	2SJ	n-[(7s)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
+CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)NCc2ccccc2	2SK	(1r,2r,3r,4s,5r)-4-(benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol
+CCC[C@H](C)O	2SL	(2s)-pentan-2-ol
+Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC	2SM	methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
+CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N	2SN	7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine
+c1ccc(cc1)CCCCCCCCn2c[n+](cc2C[C@@H](C(=O)O)N)CC[C@H](CO)O	2SO	3-{3-[(3r)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1h-imidazol-3-ium-5-yl}-l-alanine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC	2SP	(1s)-2-(phosphonooxy)-1-[(stearoyloxy)methyl]ethyl stearate
+Cc1c(cc(c2c1CCCO2)F)C3=C(N(C(=O)c4c3cccc4)C)[C@@H](C(=O)O)OC(C)(C)C	2SQ	(2s)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2h-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid
+Cc1cc(c2c(c1)C(=C[C@H](O2)C3CCOCC3)O)c4ccc(c(c4)OC)OC	2SR	(2r)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2h-pyran-4-yl)-2h-chromen-4-ol
+C=CCN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	2SS	(2s)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)[Se]C	2ST	5-methyl-2'-se-methyl-2'-selenouridine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)c(c[nH]2)C[C@](CF)(C(=O)O)N	2SU	alpha-(fluoromethyl)-d-tryptophan
+CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	2SW	[(3r,5r,6s)-1-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
+c1cc2c(cc1Br)c(c[nH]2)CC(=O)O	2SX	(5-bromo-1h-indol-3-yl)acetic acid
+c1ccc2c(c1)c(cn2Cc3cccc(c3)Cl)CC(=O)O	2SY	[1-(3-chlorobenzyl)-1h-indol-3-yl]acetic acid
+CN1CCN(CC1)Cc2ccc(cn2)C#Cc3ccc(cc3)c4cc(cnc4n5cnc6c5cccc6)C(=O)NO	2SZ	6-(1h-benzimidazol-1-yl)-n-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide
+c1cc2c(cc1OP(=O)(O)O)-c3c(sc(n3)N)CC2	2T0	2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate
+c1ccc(c(c1)C2CCN(CC2)C(=O)Nc3ccccc3C(=O)O)C(F)(F)F	2T1	2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
+C#Cc1cccc(c1)Cn2cc(c3c2cccc3)CC(=O)O	2T2	[1-(3-ethynylbenzyl)-1h-indol-3-yl]acetic acid
+c1ccc(cc1)NC(=O)[C@@H]([C@H](C(=O)O)O)O	2T3	(2r,3r)-4-anilino-2,3-dihydroxy-4-oxobutanoic acid
+c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2	2T4	{[(2-amino-8h-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
+c1cc2c(c(c1)OCP(=O)(O)O)-c3c(scn3)C2	2T5	[(8h-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
+c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O	2T6	{[(7-carbamoyl-8h-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
+COc1ccc(cc1Cn2cc(c3c2cccc3)CC(=O)O)[N+](=O)[O-]	2T7	[1-(2-methoxy-5-nitrobenzyl)-1h-indol-3-yl]acetic acid
+C(#[O+])[Ir]([O-])(Cl)(Cl)(Cl)Cl	2T8	carbonyl(tetrachloro)oxidoiridium
+COc1ccc(cc1Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O)[N+](=O)[O-]	2T9	[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1h-indol-3-yl]acetic acid
+Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4	2TA	n-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
+C1[C@H]([C@@H](C([C@@H]([C@H]1[NH3+])O)O)O)[NH3+]	2TB	1,3-diamino-4,5,6-trihydroxy-cyclohexane
+C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C#N)O)N(C)C	2TC	(4s,4as,6s,8as)-6-[(1s)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonitrile
+CC(=O)CCCCCCCCCC=C	2TD	tridec-12-en-2-one
+CC#CC[C@@](c1ccc(cc1)[N@@]2CC[N@](C[C@@H]2C#CC)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O	2TE	(2r)-2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1-trifluorohex-4-yn-2-ol
+CC#C[C@H]1CN(CCN1c2ccc(cc2)[C@](CO)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N	2TF	(2s)-2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol
+CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=N)(=O)C(F)(F)F)S(=O)(=O)c3ccc(nc3)N	2TG	5-{[(3s)-3-(prop-1-yn-1-yl)-4-{4-[s-(trifluoromethyl)sulfonimidoyl]phenyl}piperazin-1-yl]sulfonyl}pyridin-2-amine
+c1ccc2c(c1)C[C@H]([C@@H]2O)NC(=O)c3cc4cc(sc4[nH]3)Cl	2TH	2-chloro-n-[(1r,2r)-1-hydroxy-2,3-dihydro-1h-inden-2-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide
+CCNC(=O)[C@@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)NC(=O)C	2TI	(2~{s})-2-[[[(3~{r})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
+CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=O)(=O)NC)S(=O)(=O)c3ccc(nc3)N	2TJ	4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]-n-methylbenzenesulfonamide
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br	2TK	2-(2-bromophenoxy)-5-hexylphenol
+C[C@H]([C@H](C(=O)O)N)O	2TL	d-allothreonine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O	2TM	5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine
+CC(C)NCC(COc1ccc(cc1)CC(=O)N)O	2TN	2-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)ethanamide
+c1cc(cnc1)c2cc(cnc2N3CCN(CC3)S(=O)(=O)c4ccc(nc4)N)C(C(F)(F)F)(C(F)(F)F)O	2TO	2-(2-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
+Cc1c(sc[n+]1Cc2cnc(nc2NO)C)CCO[P@](=O)(O)OP(=O)(O)O	2TP	2-(3-{[4-(hydroxyamino)-2-methylpyrimidin-5-yl]methyl}-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethyl trihydrogen diphosphate
+C1C[C@H](N2[C@@H]1CC2=O)C(=O)O	2TQ	(2s,5s)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+CN(C)C(=O)c1c(ccc(c1F)c2cnc3c(c2Cl)[C@@]4(CC[C@H](C4)O)CN3)N	2TR	6-amino-3-[(1s,3r)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-n,n-dimethylbenzamide
+[H]/N=C(\N)/NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	2TS	(2s)-n-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2r)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide
+c1ccc(c(c1)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl	2TT	2-chloro-n-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
+C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	2TU	1-(beta-d-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
+CC(=O)O/C=C/1\CSC(N=C1C(=O)O)C(C=O)NC=O	2TV	(2r,5z)-5-[(acetyloxy)methylidene]-2-[(1r)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N2[C@@H]([C@H](O[C@@H](C2=O)CC(=O)O)c3cccc(c3)Cl)c4ccc(cc4)Cl	2TW	[(2r,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
+CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CC[C@H]1C(O1)(C)C)/C)/C)C	2TX	(3s)-2,2-dimethyl-3-[(3e,7e,11e,15e)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
+c1ccc(cc1)C\C=N\c2cc(c(cc2O)O)C[C@@H](C(=O)O)N	2TY	2-hydroxy-5-{[(1e)-2-phenylethylidene]amino}-l-tyrosine
+CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	2TZ	[(2r,5r,6r)-4-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
+C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)Cc5ncc(s5)CC(=O)O	2U0	(2-{[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid
+C[C@@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O	2U1	6-{[(2s,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid
+c1c(nc(s1)N)/C(=N/OCC2=CC(=O)C(=CN2O)O)/C(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C=O	2U2	(2e)-2-({[(2s)-2-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid
+CC(C)([C@@H](CO)NC(=O)/C(=N\OCC1=CC(=O)C(=CN1O)O)/c2csc(n2)N)NOS(=O)(=O)O	2U3	(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}-n-{(2s)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]butan-2-yl}ethanamide
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO/N=C(\C[C@@H](C(=O)O)N2C(=O)c3cc(c(cc3C2=O)O)O)/C(=O)O)C=O	2U4	(4z,8s,11e,14s)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid
+C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(cc3)Cl)c4cccc(c4)Cl)Cc5ccc(cn5)C(=O)O	2U5	6-{[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid
+C[C@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O	2U6	6-{[(2r,5r,6r)-4-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid
+CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl	2U7	[(2s,5r,6r)-4-[(2s)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
+Cc1cccc(c1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC)O	2U8	mavoglurant
+Cc1ccc(cc1)OCc2nc(cs2)C(=O)N[C@H]3CCS(=O)(=O)C3	2U9	n-[(3s)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
+C1CNC(=O)[C@@H]1C[C@@H](CCC(=O)C2CC2)N	2UA	(3s)-3-[(2r)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one
+c1cc(ccc1/C=C(\C(=O)O)/S)Cl	2UB	(z)-3-(4-chlorophenyl)-2-mercaptoacrylic acid
+[H]/N=C(\N)/NCc1cccc(c1)CC=O	2UC	1-[3-(2-oxoethyl)benzyl]guanidine
+c1cc2c(cc1Br)c(c[nH]2)CC(=S)C(=O)O	2UD	3-(5-bromo-1h-indol-3-yl)-2-thioxopropanoic acid
+[H]/N=C(/N)\NCc1ccc(cc1)CC=O	2UE	1-[4-(2-oxoethyl)benzyl]guanidine
+C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O	2UF	l-gulonate
+c1cnccc1Nc2nccc(n2)c3cnc(nc3CC4CC4)N	2UG	4'-(cyclopropylmethyl)-n~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine
+CCC(=O)NCCCNC1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)C(=O)N1	2UH	n-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate)
+C[C@H](CC[C@H](CCO)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C	2UI	(3r,6r)-6-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol
+CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N1	2UJ	n-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate)
+CCC(=O)NCCCNC1=NC(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N1	2UK	5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-n-[3-(propanoylamino)propyl]guanosine
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)[C@@H](c2ccccc2)N)(O)O	2UL	3-[(2r)-2-{[(2r)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid
+COC(=O)C(Cc1ccccc1)(Cc2ccc(cc2)NS(=O)(=O)O)C(=O)OC	2UN	{4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid
+CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O	2UO	mevastatin, compactin
+[H]/N=C(\c1ccc2ccccc2c1)/N	2UP	naphthalene-2-carboximidamide
+[H]/N=C/c1ncc(cn1)C(=O)NCc2ccccc2	2UQ	n-benzyl-2-[(z)-iminomethyl]pyrimidine-5-carboxamide
+C[C@@H]1Cc2cc(cc(c2O1)C(=O)N)F	2UR	(2r)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
+c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3O)O)/C2=O	2US	(2z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
+c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)OCCN4CCOCC4)/C2=O	2UT	(2z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
+Cc1ccc(c2c1cccc2)c3ccc(c(c3)NS(=O)(=O)c4ccc(cc4)Oc5ccccc5)C(=O)O	2UU	4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid
+CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O	2UV	4-hydroxy-4'-propylbiphenyl-3-carboxylic acid
+C[C@](c1cc(c(nc1)c2ccc(s2)S(=O)(=O)c3ccc(nc3)N)Cl)(C(F)(F)F)O	2UW	(2s)-2-(6-{5-[(6-aminopyridin-3-yl)sulfonyl]thiophen-2-yl}-5-chloropyridin-3-yl)-1,1,1-trifluoropropan-2-ol
+C[C@](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O	2UX	(2s)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol
+C[C@](c1ccc(nc1)c2ccc(nc2Nc3ccccc3)S(=O)(=O)c4ccc(nc4)N)(C(F)(F)F)O	2UY	(2s)-2-{6'-[(6-aminopyridin-3-yl)sulfonyl]-2'-(phenylamino)-2,3'-bipyridin-5-yl}-1,1,1-trifluoropropan-2-ol
+C1C=C(NC(S1)C(C(=O)O)N)C(=O)O	2UZ	(2r)-2-[(r)-amino(carboxy)methyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)N)C(=O)O	2V0	(2r)-2-[(r)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6	2V1	4-(methylsulfonyl)-n-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide
+Cc1c(cccc1N2C=Nc3cc(ccc3C2=O)C(C)(C)C)C4=CN(C(=O)C(=C4)NC(=O)NC)C	2V2	1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4h)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea
+CCN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7	2V3	6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2h)-one
+C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O)O)O	2V4	rabelomycin
+[H]/N=C(\N)/NOCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C	2V5	n-[(2s)-5-(carbamimidamidooxy)-1-oxo-1-{[(1e,3s)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
+Cc1cc(n2c(n1)nc(n2)C(F)(F)F)Nc3cc(c(c(c3)F)C(F)(F)F)F	2V6	n-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+C[C@@H]([C@H](c1ccc2cc(ccc2c1)OC)O)O	2V7	(1s,2s)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol
+Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O	2V8	1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1h-imidazole-4-carboxylic acid
+C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)(CO)O	2V9	lestaurtinib
+CC(C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N	2VA	2'-(l-valyl)amino-2'-deoxyadenosine
+[H]/N=C(/N)\NOCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)/C=C/S(=O)(=O)c2ncccn2)NC(=O)N3CCN(CC3)C	2VC	n-[(2s)-5-(carbamimidamidooxy)-1-oxo-1-{[(1e,3s)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
+c1ccc(cc1)C[C@H](C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2C[C@@H](CC4)C(=O)O)Br	2VD	(2r)-6-bromo-9-(2-{[(1r)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+c1cc2c(cc1Br)c3c(n2CC(=O)NCC(=O)O)C[C@@H](CC3)C(=O)O	2VE	(2r)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+c1cc2c(cc1Cl)c3c(n2CC(=O)N)C[C@@H](CC3)C(=O)O	2VF	(2r)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+c1cc2c(cc1Cl)c3c([nH]2)C[C@@H](CC3)C(=O)O	2VG	(2r)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+CS(=O)(=O)n1cc2c(n1)CN(C2)[C@@H]3C[C@@H]([C@H](OC3)c4cc(c(cc4F)F)F)N	2VH	(2r,3s,5r)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4h)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2h-pyran-3-amine
+CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)Sc4[nH]c(cn4)C(=O)O	2VJ	2-[(2-{(1s,2s)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1h-imidazole-5-carboxylic acid
+c1ccc(cc1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O	2VK	4-(3-{4-[(s)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
+Cc1c(cccc1NC(=O)c2cc3c(s2)CCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)[C@@H]6C(=O)N(CCN6C)C)C	2VL	n-{3-[6-({4-[(2r)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)Cn2c3ccc(cc3c4c2C[C@@H](CC4)C(=O)O)Br	2VM	(2r)-6-bromo-9-(2-{[(1s)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1h-carbazole-2-carboxylic acid
+CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3	2VN	2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid
+CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C	2VO	phytochromobilin, bound form
+Cc1ccc2c(c1)/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2	2VP	(2e,4e,6z,8e)-3,7-dimethyl-8-(7-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
+Cc1ncc(n1CCNS(=O)(=O)N)[N+](=O)[O-]	2VQ	n-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]sulfamide
+Cc1cccc2c1/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC2	2VR	(2e,4e,6z,8e)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
+C(=C/C=O)\C=C(\C(=O)O)/O	2VS	(2z,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid
+c1ccc2c(c1)c([nH]n2)C(=O)Nc3cnn(c3)Cc4cccc(c4)C#N	2VT	n-[1-(3-cyanobenzyl)-1h-pyrazol-4-yl]-2h-indazole-3-carboxamide
+c1cc(cc(c1)C#N)Cn2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5	2VU	n-[1-(3-cyanobenzyl)-1h-pyrazol-4-yl]-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide
+CN(C)CC[C@@H](c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5	2VV	n-{1-[(1s)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide
+CN(C)CC[C@H](c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5	2VW	n-{1-[(1r)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide
+CCCS(=O)(=O)Nc1ccc(c(c1F)N(C)c2ccc3c(c2)C(=O)N(C=N3)C)F	2VX	n-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide
+Cc1c(csc1C=O)Cc2cnc(nc2N)C	2VY	4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde
+Cc1ccc\2c(c1)CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C	2VZ	(2e,4e,6z,8e)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
+Cc1cccc\2c1CCC/C2=C\C(=C/C=C/C(=C/C(=O)O)/C)\C	2W0	(2e,4e,6z,8e)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2h)-ylidene)octa-2,4,6-trienoic acid
+c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(cccn4)C5CCOCC5	2W1	1h-benzimidazol-2-yl(4-{[3-(tetrahydro-2h-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](CCC(=O)O)C(=O)O	2W2	n-[(1s)-4-carbamimidamido-1-carboxybutyl]-d-glutamic acid
+CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)C4=NC(=C(C(=O)N4)C(=O)N)O	2W3	2-[2-[(1s,2s)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1h-pyrimidine-5-carboxamide
+c1cc(ccc1c2ccc3c(c2)cco3)N4C(=NNC4=O)C[C@@H]5CCN(C5)C(=O)C6CC6	2W4	4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3s)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3h-1,2,4-triazol-3-one
+COc1cc(nc(n1)[C@@H]2CCCC[C@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)OC	2W5	(1r,2r)-n-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide
+CC1(CCc2c([nH]nc2C(=O)Nc3cnn(c3)[C@@H](CCN(C)C)c4ccccc4)C1)C	2W6	n-{1-[(1s)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxamide
+c1ccc(c(c1)C(=O)NCC(=O)NC23CC4CC(C2)CC(C4)C3)S	2W7	n-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide
+c1cc(cc(c1)c2cccc(c2)[N+](=O)[O-])CCC(=O)O	2W8	3-(3'-nitrobiphenyl-3-yl)propanoic acid
+c1cc(cc(c1)c2ccc(o2)[N+](=O)[O-])CCC(=O)O	2W9	3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid
+CCCCCCCCCCCCCC[C@@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCC)O	2WA	(1s,8e)-1-{[(2s)-1-hydroxy-3-{[(1s)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol
+c1ccc(c(c1)CC(=O)O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-]	2WB	{2-[5-(3-nitrophenyl)furan-2-yl]phenyl}acetic acid
+Cc1c(cccc1C(=O)O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N	2WC	3-[2-azanyl-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methyl-benzoic acid
+CCCCC[C@H](O)OC[C@H](CO)O[C@H](CCCC)O	2WD	(1r)-1-{[(2s)-3-hydroxy-2-{[(1r)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol
+COc1c(sc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N	2WE	2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide
+c1cc(cc2c1ccnc2)c3ccnc(c3)NC(=O)C4CC4	2WF	n-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide
+COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N	2WG	2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide
+CCCn1cc(nc1)CCNC(=O)Nc2nc3ccc(cc3s2)c4cc(cnc4)OC	2WH	1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1h-imidazol-4-yl)ethyl]urea
+Cc1c(cnc2c1C3(CC3)C=N2)c4ccc(c(c4F)C(=O)N(C)C)N	2WI	6-amino-2-fluoro-n,n-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide
+CC(=O)Nc1nc2ccc(cc2s1)c3cccnc3	2WJ	n-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
+CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)OC)OC	2WK	n-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
+c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl	2WL	(1-benzyl-1h-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone
+CCCCCCCCCCCCCCCCC[C@@H](O)O[C@@H](CO)CO[C@@H](CCCCCC/C=C/CCCCCCCCC)O	2WM	(1s,8e)-1-{[(2s)-3-hydroxy-2-{[(1s)-1-hydroxyoctadecyl]oxy}propyl]oxy}octadec-8-en-1-ol
+c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)OS(=O)(=O)F	2WN	4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate
+C(CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)[C@@H](C(=O)O)N	2WP	s-ribosylhomocysteine
+C#CCNC(=O)c1ccc(cc1OCC(=O)O)F	2WQ	[5-fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy]acetic acid
+c1cc(c(cc1F)OCC(=O)O)C(=O)N	2WR	(2-carbamoyl-5-fluorophenoxy)acetic acid
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O)O)O)O	2WS	beta-d-xylopyranosyl-(1->4)-beta-d-xylopyranosyl-(1->4)-beta-d-xylopyranose
+Cn1c2cc(c(cc2c(c1c3cccc(c3)NC(=O)CCC(=O)NCc4ccc5c(c4)OCO5)I)C(=O)O)O	2WT	2-[3-({4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoyl}amino)phenyl]-6-hydroxy-3-iodo-1-methyl-1h-indole-5-carboxylic acid
+CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N	2WU	6-amino-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@H](CC[C@@H](CCO)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C	2WV	(3s,6r)-6-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol
+CC(C)C[C@@H](N)P(=O)(O)O	2WW	[(1s)-1-amino-3-methylbutyl]phosphonic acid
+c1ccc2c(c1)cc(s2)[C@@H](c3ccccc3Cl)NS(=O)(=O)c4ccc5c(c4)OCCCO5	2WX	n-[(r)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonamide
+c1ccc(cc1)[C@H](c2cc3ccccc3o2)NS(=O)(=O)c4ccc5c(c4)OCCCO5	2WY	n-[(r)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonamide
+CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)[C@@H](c4c(cnc(c4F)N)Cl)NS(=O)(=O)C5CC5)O	2WZ	n-[(r)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide
+c1ccc(cc1)CC[C@H](N)P(=O)(O)O	2X0	[(1r)-1-amino-3-phenylpropyl]phosphonic acid
+[H]/N=C(/c1ccc(cc1)NC(=O)Nc2cccc(c2)CN)\N	2X1	4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide
+C(C1C2(C(C(O1)N3C2NC4=C3N=C(NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	2X3	(8s)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate
+c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@@H]5CCOC[C@H]5O2	2X4	(4r,4a's,10a's)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'h-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine
+c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@H]5CCOC[C@@H]5O2	2X5	(4r,4a'r,10a'r)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'h-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine
+c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)N[C@@H]5CCCC[C@@H]5N)N=CNC4=O	2X6	7-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3h)-one
+[H]/N=C/1\C=CC=COC1=O	2X7	(3e)-3-iminooxepin-2(3h)-one
+Cc1c(cc(c(n1)C)CC(=O)O)Cc2nc3c(c(cc(c3s2)F)F)F	2X9	{2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid
+c1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)Cl)SC[C@@H](C(=O)O)N	2XA	(2r)-2-amino-3-[(4-chlorophenyl)-diphenyl-methyl]sulfanyl-propanoic acid
+c1cc(ccc1Cc2c[nH]c3c2c(nc(n3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2XB	n-{4-[(2-amino-4-hydroxy-7h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-l-glutamic acid
+c1ccc(cc1)[C@H]2CCCN(C2)/C=C/C(=O)c3ccccc3O	2XC	(2e)-1-(2-hydroxyphenyl)-3-[(3r)-3-phenylpiperidin-1-yl]prop-2-en-1-one
+c1ccc(c(c1)C(=O)/C=C/N2CCc3c[nH]nc3C2)O	2XD	(2e)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one
+c1cc(ccc1S)Br	2XE	4-bromobenzenethiol
+CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC1)C(=O)N(Cc2cccc(c2Cl)Cl)C3CC3	2XF	tert-butyl {(3s,5r)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]piperidin-3-yl}carbamate
+c1cc(c(cc1S)F)F	2XG	3,4-difluorobenzenethiol
+c1ccc2c(c1)cccc2S	2XH	naphthalene-1-thiol
+C[C@H](C(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C)O	2XI	(2~{r})-~{n}-[(1~{r})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{n}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide
+CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3cc(nc(n3)N)N	2XJ	1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol
+COc1cc(c(cc1OC)[N+](=O)[O-])CC(=O)c2ccc(cc2)C#N	2XK	4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile
+CCCc1c(nc(s1)c2ccc(c(c2)O)OC)CSc3nc(cc(n3)N)N	2XL	5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol
+CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OCCO)CSc3nc(cc(n3)N)N	2XM	2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol)
+Cc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)[C@@H](C)Sc3nc(cc(n3)N)N	2XN	n-{2-[5-(4-{(1r)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide
+c1ccc2c(c1)[nH]c(n2)CS	2XO	1h-benzimidazol-2-ylmethanethiol
+[H]/N=C(/C/C=C\C=O)\C(=O)O	2XP	(2z,4z)-2-imino-6-oxohex-4-enoic acid
+Cc1c(oc2c1c(ccc2)OCCCNCc3cccnc3)COc4ccc(c(c4F)F)F	2XQ	3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-n-(pyridin-3-ylmethyl)propan-1-amine
+c1ccc2c(c1)c(c[nH]2)C(=O)CCl	2XR	2-chloro-1-(1h-indol-3-yl)ethanone
+c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6	2XS	4-[(3ar,4r,7s,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide
+CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4ccccc4)O)O)NC(=O)C	2XT	propyl 2-(acetylamino)-4-o-{3-o-[(1-benzyl-1h-1,2,3-triazol-4-yl)methyl]-beta-d-galactopyranosyl}-2-deoxy-beta-d-glucopyranoside
+CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)CC(=O)c4cccc(c4)O)O)O)NC(=O)C	2XU	propyl 2-(acetylamino)-2-deoxy-4-o-[3-o-({1-[2-(3-hydroxyphenyl)-2-oxoethyl]-1h-1,2,3-triazol-4-yl}methyl)-beta-d-galactopyranosyl]-beta-d-glucopyranoside
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)c4nc([nH]n4)N)O)O	2XW	prop-2-en-1-yl 2-(acetylamino)-4-o-(3-o-{[1-(5-amino-1h-1,2,4-triazol-3-yl)-1h-1,2,3-triazol-4-yl]methyl}-beta-d-galactopyranosyl)-2-deoxy-beta-d-glucopyranoside
+CC[C@@H]1C(=O)C(=C(O1)C)O	2XX	(2r)-2-ethyl-4-hydroxy-5-methylfuran-3(2h)-one
+c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NN2CCOCC2	2XY	n-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine
+CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OC)CSc3nc(cc(n3)N)N	2XZ	2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol
+CCCc1c(nc(s1)c2cccc(c2)OCCNS(=O)(=O)C)CSc3nc(cc(n3)N)N	2Y0	n-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide
+CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N	2Y1	(r)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
+CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@@H](C[C@@H](CC#C)C(=O)NCCN2CCOCC2)O)NC(=O)c3[nH]c4ccccc4n3	2Y2	n-[(2r)-1-{[(2s,3r,5r)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1h-benzimidazole-2-carboxamide
+CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)C(=O)NC	2Y3	n-(tert-butoxycarbonyl)-l-phenylalanyl-n-[(2s,3s,5r)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-l-histidinamide
+CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C(C(=O)NC)(F)F)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3	2Y4	n-[(2s)-1-[[(2s)-1-[[(2s,3r)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC	2Y5	(2r)-1-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+CC(C)(c1ccnc(c1)c2cccc3c2sc(c3)[C@@H](c4ccccc4Cl)NS(=O)(=O)C5CC5)O	2Y6	n-[(r)-(2-chlorophenyl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide
+Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@H](C)Sc3nc(cc(n3)N)N	2Y7	(s)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
+Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N	2Y8	(r)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
+CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3	2Y9	(3s,4r,5r)-n-cyclopropyl-n'-[(2r)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-n-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide
+C[C@H](c1cn(nn1)c2ccc(cc2)Cl)Oc3cc[n+](c4c3cccc4)[O-]	2YA	4-[(1r)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline
+Cc1cc(cc(c1c2cccc(c2)COc3ccc4c(c3)OC[C@H]4CC(=O)O)C)OCCCS(=O)(=O)C	2YB	[(3s)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid
+C[C@H]1CC=N[C@@H]1C(=O)NCCCC[C@@H](C(=O)O)N	2YC	n~6~-{[(2s,3s)-3-methyl-3,4-dihydro-2h-pyrrol-2-yl]carbonyl}-l-lysine
+C[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C3=C(C(=O)C(=C4[C@@H]3C[C@@](O4)([C@H](C[C@@H](C/C(=C1)/C)C)C)O)C)O)C)O)C	2YD	(5r,6r,7s,8r,9r,12s,13e,16s,18s,19r,20ar)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5h)-one
+CN(C)C(=O)c1cc(ccc1N)c2cc3cc[nH]c3nc2	2YE	2-amino-n,n-dimethyl-5-(1h-pyrrolo[2,3-b]pyridin-5-yl)benzamide
+C1CC=N[C@H](C1)C(=O)NCCCC[C@@H](C(=O)O)N	2YF	n~6~-[(2r)-2,3,4,5-tetrahydropyridin-2-ylcarbonyl]-l-lysine
+C(CCN)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)N	2YG	n~6~-l-lysyl-l-lysine
+C(C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N)CN	2YH	n~5~-d-ornithyl-l-ornithine
+CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br	2YI	methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate
+C(CCN)C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N	2YJ	n~5~-d-lysyl-l-ornithine
+Cn1cc(cn1)c2nnc3n2nc(cc3)Sc4cc(ccc4OC)OC	2YK	6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine
+c1ccc(cc1)C2=NC(=O)NC(=N2)N	2YL	6-amino-4-phenyl-1,3,5-triazin-2(1h)-one
+c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC(=NC2=O)N	2YM	6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O	2YN	(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]
+c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC=NC2=O	2YO	2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C	2YP	(2r)-2-[[(1r,2s,3r,4r,5r)-4-acetamido-2-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoic acid
+Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F	2YQ	(8s,9r)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1h-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3h-pyrido[4,3,2-de]phthalazin-3-one
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCCS)COP(=O)(O)O)O	2YR	2'-deoxy-n-(2-sulfanylethyl)cytidine 5'-(dihydrogen phosphate)
+CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)[C@@H](CCl)O)NC(=O)[C@@H](C(C)C)N	2YS	d-valyl-n-[(2s,3s)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-l-leucinamide
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](CCl)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)N	2YT	l-phenylalanyl-n-[(2s,3s)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-l-phenylalaninamide
+CC1=CC(=S)N(C=C1)O	2YU	1-hydroxy-4-methylpyridine-2(1h)-thione
+c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N	2YV	6-amino-2-[(2-phenylethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+COC(=O)c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N	2YW	methyl 4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoate
+c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C#N	2YX	4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzonitrile
+c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)C(=O)O	2YY	4-{2-[(6-amino-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoic acid
+c1ccc(cc1)CNC(=O)c2ccc(cc2OCC(=O)O)F	2YZ	[2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid
+CN(C)c1cccc2c1ccc(c2)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)CCl	2Z0	n-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-l-alpha-glutamyl-n-[(1s)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide
+	2Z3	n-(morpholin-4-ylcarbonyl)-l-phenylalanyl-n-[(1r)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-l-norleucinamide
+CC(C)[C@@H](C(=O)NCc1ccc(cc1O)OC)NC(=O)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OCc3ccccc3)O)NCc4ccc(cc4)OC	2Z4	benzyl [(1r)-1-({(1s,2s,3s)-1-benzyl-2-hydroxy-4-({(1s)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate
+	2Z5	6-ammonio-n-(trifluoroacetyl)-l-norleucyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide
+c1cc(ccc1CCN)S(=O)(=O)OC[C@@H](C(=O)O)N	2ZC	o-{[4-(2-aminoethyl)phenyl]sulfonyl}-l-serine
+C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O	2ZE	(3r,4r,4ar,6as,8r,9r,11as,11bs)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale ne-3,9-diol
+	2ZF	n-(tert-butoxycarbonyl)-l-alpha-glutamyl-n-[(1r)-1-(carboxycarbonyl)-3,3-difluoropropyl]-l-leucinamide
+Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F	2ZI	8-methyl-2-[4-(trifluoromethyl)phenyl]-3h-quinazolin-4-one
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO	2ZL	n~2~-benzyl-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+c1cc2c(cc1[N+](=O)[O-])nc[nH]2	2ZM	5-nitro-1h-benzimidazole
+C[N+](C)(C)CCCC=O	2ZO	n,n,n-trimethyl-4-oxobutan-1-aminium
+c1cc2cccnc2c(c1)[N+](=O)[O-]	2ZQ	8-nitroquinoline
+CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3)O	2ZS	n-(morpholin-4-ylcarbonyl)-l-phenylalanyl-n-[(1r,2s)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-s-methyl-l-cysteinamide
+c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3	2ZT	2-[(quinolin-7-yloxy)methyl]quinoline
+Cc1nc2cc(ccc2s1)OCc3ccc4ccccc4n3	2ZU	2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline
+Cc1ccnc(c1[N+](=O)[O-])N	2ZV	4-methyl-3-nitropyridin-2-amine
+Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C	2ZW	3-(2-chlorophenyl)-5-methyl-n-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
+c1c(nc(nc1Cl)N)N	2ZX	6-chloropyrimidine-2,4-diamine
+CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(F)(F)F	2ZY	(5z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4h-imidazol-4-one
+CC1=N/C(=C\c2cccc(c2)Br)/C(=O)N1C	2ZZ	(5z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one
+COc1cccc(c1OP(=O)(O)O)C=O	300	2-formyl-6-methoxyphenyl dihydrogen phosphate
+C\C=C/C\C=N\c1c2c([nH]cn2)ncn1	301	n6-(penta-2,3-dienyl)adenine
+c1cc(ccc1\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2)C(=O)O	302	4-[(1e,7e)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
+CC(C)[C@H]1c2cc(ccc2CCN1)NC(=O)c3ccc4cc(ccc4c3)C(=N)N	303	6-[(z)-amino(imino)methyl]-n-(1-isopropyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-naphthamide
+CC[C@@H](C)Nc1ncc(s1)C(=O)Nc2cc(ccc2C)C(=O)NC	304	n-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1r)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
+c1cc2c(cc1CN3CCCCC3)cc([nH]2)C4=Cc5cc(ccc5NC4=O)c6c[nH]nc6	306	3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-pyrazol-4-yl)quinolin-2(1h)-one
+Cc1cc2c(cc1C)OC=C(C2=O)CN(C)CCN(C)Cc3cn(c4c3cccc4)c5cccc(c5)C(F)(F)F	307	6,7-dimethyl-3-[(methyl{2-[methyl({1-[3-(trifluoromethyl)phenyl]-1h-indol-3-yl}methyl)amino]ethyl}amino)methyl]-4h-chromen-4-one
+C1C2CC3CC1CC(C2)(C3)N	308	(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-amine
+c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C(=O)O)Cl	30A	6-benzyl-5-chloro-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
+Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC	30B	(2r,3ar,10z,11as,12ar,14ar)-n-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1h)-carboxamide
+CC[C@H]1C[N@@](CC[C@H]1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N	30E	(3r,4r)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid
+C(=C(/C(=O)O)\N)\[SeH]	30F	(2z)-2-amino-3-selanylprop-2-enoic acid
+c1ccc2c(c1)N3CC(=O)NN=C3CO2	30G	3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccnc2)[C@H](C)C(=O)NO	30H	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(pyridin-3-ylmethyl)-d-alaninamide
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N3CCCCCC3)N	30I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide
+C[C@@H]1CN(CCN1c2ccc(cn2)C#N)c3c4cc(ccc4c(nn3)Cc5ccccc5)Cl	30J	6-[(2r)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
+CCN1CCC(CC1)Nc2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]c6ccc(cc6n5)OC)/C(=O)N3	30K	(3z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1h-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2h-indol-2-one
+c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)F	30L	{5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid
+CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O	30M	n-[4-(1-oxo-1,2,3,4-tetrahydro-5h-pyrido[4,3-b]indol-5-yl)butyl]acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS(=O)O)O	30N	(3r,5s,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name)
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)[N+](=O)[O-])[C@H](C)C(=O)NO	30O	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(4-nitrobenzyl)-d-alaninamide
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)N)[C@H](C)C(=O)NO	30P	n~2~-(3-aminobenzyl)-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+CCC(=O)NCCSC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C	30Q	s-[2-(propanoylamino)ethyl] (2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl]propanethioate (non-preferred name)
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)CN)[C@H](C)C(=O)NO	30R	n~2~-[4-(aminomethyl)benzyl]-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+c1ccc(c(c1)COc2cccc3c2c(nc(n3)N)N)S(=O)(=O)O	30S	2-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
+c1ccc(cc1)c2cc(n[nH]2)Nc3cc(cc(n3)NC4CCC(CC4)O)S(=O)(=O)c5ccccc5	30T	trans-4-({6-[(5-phenyl-1h-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol
+c1cc2c(c(c1)OCc3ccc(cc3)S(=O)(=O)O)c(nc(n2)N)N	30U	4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
+c1ccc(c(c1)C(=O)N)[Se]SC[C@@H](C(=O)O)N	30V	s-[(2-carbamoylphenyl)selanyl]-l-cysteine
+CC(=O)NC1=Nc2c(nc(cn2)C=O)C(=O)N1	30W	n-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide
+C[C@@H](C(=O)N(C)C)[N@@](CC(F)(F)F)c1ccc(c(c1)C(F)(F)F)C#N	30X	n~2~-[4-cyano-3-(trifluoromethyl)phenyl]-n,n-dimethyl-n~2~-(2,2,2-trifluoroethyl)-l-alaninamide
+C[C@@H](Cc1ccc(c(c1)O)O)[C@@H](C)Cc2ccc(c(c2)O)O	30Z	4-[(2r,3s)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl]benzene-1,2-diol
+[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2Cl)c3ccc(cc3)Oc4ccc(cc4)C(=O)C	310	n-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide
+Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C3)(C)C	311	(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
+COc1ccccc1c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-]	312	2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-methoxy-6-oxido-1,1'-biphenyl-3-yl)succinate
+CS(C)CC(=O)O	313	(dimethyl-lambda~4~-sulfanyl)acetic acid
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)Cc4ccccc4)O)C	314	n'-[(1s,2r)-2-[(2r,4s)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+CS(=O)(=O)c1ccc(c(c1)F)C2NC(ON2)[C@@H](CC3CC3)[C@@H](C(=O)N4CC[C@@H](C4)F)N	315	(2s,3s)-4-cyclopropyl-3-{(3r,5r)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CCN3)Cc4ccccc4)O)C	316	n'-[(1s,2s)-2-[(2s)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+CS(=O)(=O)c1ccc(c(c1)Cl)c2nc(on2)[C@@H](CC3CC3)[C@@H](C(=C4CCCC4)F)N	317	(2s,3s)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CN3)Cc4ccccc4)O)C	318	n'-[(1s,2s)-2-[(4s)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)F	319	n-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
+[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccccc2OC3CCNCC3	31A	n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1[C@H]([C@H]([C@H](O1)c2[nH]c3c(n2)c(ncn3)N)O)O)[C@H](C(=O)NCCC(=O)NCCOC(=O)c4ccccc4)O	31B	benzoyl-oxydephosphocoenzyme a
+CC(C)(C)c1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)C(=O)O	31D	4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid
+c1cc(oc1)C/N=C\S	31E	(z)-[(furan-2-ylmethyl)imino]methanethiol
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N	31F	4-(4-oxidanylidene-3h-quinazolin-2-yl)benzenesulfonamide
+c1cc(cc(c1)S(=O)(=O)O)COc2cccc3c2c(nc(n3)N)N	31G	3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid
+CSCC[C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O	31H	3'-deoxy-3'-[(n-formyl-l-methionyl)amino]adenosine 5'-(dihydrogen phosphate)
+CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	31I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(propan-2-yl)phthalazin-2(1h)-yl]prop-2-en -1-one
+Cc1c(c(cc2c1OC(=O)C(=C2C)CCOCCOC)OC)O	31J	7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2h-chromen-2-one
+Cc1cc(cc(c1O)OC)c2ccc3c(c2)OCCN3C	31K	2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2h-1,4-benzoxazin-7-yl)phenol
+Cc1cc(cc(c1O)OC)c2ccc(cc2)N3CCOCC3	31L	3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol
+CSCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N	31M	3'-deoxy-3'-[(l-methionyl-l-phenylalanyl)amino]adenosine 5'-(dihydrogen phosphate)
+COc1ccc2c(n1)c(c(cn2)F)C[C@@H](C34CCC(CC3)(CO4)NCc5ccc6c(n5)NC(=O)CO6)O	31N	6-[({(1r,4s)-1-[(1s)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC	31O	methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate
+CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC	31P	methyl (2r)-2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate
+c1cc(ccc1C(=O)O)[Hg]SC[C@@H](C(=O)O)N	31Q	(4-carboxyphenyl)(l-cysteinato-kappas~3~)mercury
+c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC(=O)O	31R	3-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)propanoic acid
+c1ccc(cc1)c2ccc(cc2)/C(=C\C(=O)O)/CCc3ccc(cc3)Cl	31S	(2z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid
+c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC4=NNC(=O)C(=C4)O	31T	4-hydroxy-6-[2-(7-hydroxy-2-oxo-4-phenyl-2h-chromen-6-yl)ethyl]pyridazin-3(2h)-one
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N)\N	31U	d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+Cc1cn(cn1)c2ccc(cc2OC)c3cn(nn3)CC(=O)Nc4cc(nn4c5ccccc5)C6CC6	31V	n-(3-cyclopropyl-1-phenyl-1h-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1h-imidazol-1-yl)phenyl]-1h-1,2,3-triazol-1-yl}acetamide
+c1cc(cc(c1)c2nccs2)CN(C3CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F	31W	1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
+c1ccc(cc1)c2nc(no2)Cn3c4ccnc(c4cc3C(=O)O)c5cccc6c5cccc6	31X	4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1h-pyrrolo[3,2-c]pyridine-2-carboxylic acid
+c1cc(cnc1)CNc2ccc3c(n2)c(ncn3)Nc4ccc(cc4)N5CCOCC5	31Y	n~4~-[4-(morpholin-4-yl)phenyl]-n~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O	31Z	2-(3-chlorophenoxy)-3-fluoro-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}benzoic acid
+c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc[nH]4)F	320	2-(4-fluorophenyl)-n-{[3-fluoro-4-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide
+CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)C3)NS(=O)(=O)C	321	n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,4-benzothiazin-7-yl}methanesulfonamide
+CCOc1cc(c(c(c1O)Br)Br)C[C@@H]2C(=O)N(C(=S)S2)CC(=O)O	322	[(5r)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)[O-])C=O	323	2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F	324	n-{3-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide
+CCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cccnc4)F	325	n-{2,4-difluoro-3-[(5-pyridin-3-yl-1h-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide
+Cc1cc(ccc1n2c(c(c(n2)C)/N=N/c3cc(ccc3C(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	326	2-{(e)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1h-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid
+[H]/N=C/1\c2c(ccs2)OC[C@@H](N1)CCC	327	(3s,5e)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2h)-imine
+COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N	328	4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile
+C[C@H]1CN=C(c2c(ccs2)O1)N	329	(2s)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
+CCCCC#Cc1ccc(o1)C(=O)NNC(=S)NC	32A	2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-n-methylhydrazinecarbothioamide
+CC[C@H](c1ccc(c(c1OC)Oc2cccc(c2)Cl)C(=O)O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C	32B	2-(3-chlorophenoxy)-3-methoxy-4-{(1r)-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]propyl}benzoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O	32C	2-(3-chlorophenoxy)-3-fluoro-4-{(1r)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
+c1cc(cc(c1)[C@@]2(c3cccc(c3C(=N2)N)F)c4ccnc(c4)C(F)F)c5cncnc5	32D	(1s)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1h-isoindol-3-amine
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O	32E	2-(3-chlorophenoxy)-3-fluoro-4-{(1s)-3-methyl-1-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]butyl}benzoic acid
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O	32F	2-[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenoxy]ethanoic acid
+c1c(nnn1CCCCn2cnc3c2ncnc3N)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5	32G	(3as,4s,6ar)-4-(5-{1-[4-(6-amino-9h-purin-9-yl)butyl]-1h-1,2,3-triazol-4-yl}pentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one
+c1cc(ccc1c2c3c(sc2Br)NC(=O)C(=C3O)C#N)Br	32H	2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2OC)OC)N3CCCCCC3)N	32I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide
+c1ccc(c(c1)c2ccc(cc2)c3c4c(sc3Cl)NC(=O)C(=C4O)C#N)O	32J	2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3OC)Oc4cccc(c4)Cl)C(=O)O	32K	2-(3-chlorophenoxy)-3-methoxy-4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]methyl}benzoic acid
+CCOC(=O)C[C@@H]([C@H](CC(C)C)N)O	32L	ethyl (3s,4s)-4-amino-3-hydroxy-6-methylheptanoate
+CCCCCCCCOCCOCCOCCOCCOCCOCCO	32M	3,6,9,12,15,18-hexaoxahexacosan-1-ol
+C([C@H]1[C@@H]([C@@H]([C@H](O1)O)O)O)O	32O	beta-l-ribofuranose
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)OS(=O)(=O)Cc3ccccc3)OCC(=O)NCCCCCN	32P	3-{2-[(5-aminopentyl)amino]-2-oxoethoxy}-5-({[1-(4-fluorophenyl)ethyl]amino}carbonyl)phenyl phenylmethanesulfonate
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccc(cc2)CN)C(=O)O)O	32Q	(2s)-2-[4-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@H](Cc2ccc(cc2)CN)C(=O)O)O	32R	(2r)-2-[4-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
+c1c[se]c2c1[nH]cc2C[C@@H](C(=O)O)N	32S	(s)-2-amino-3-(4h-selenolo[3,2-b]-pyrrol-6-yl)-propionic acid
+c1csc2c1[nH]cc2C[C@@H](C(=O)O)N	32T	(s)-2-amino-3-(4h-thieno[3,2-b]-pyrrol-6-yl)-propionic acid
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)C(=[NH2+])N)N	32U	d-phenylalanyl-n-{4-[amino(iminio)methyl]benzyl}-l-prolinamide
+CCN1C(=O)c2c(c(cs2)C#C)N=C1NC3CCCC3	32V	2-(cyclopentylamino)-3-ethyl-7-ethynylthieno[3,2-d]pyrimidin-4(3h)-one
+COCCNC(=O)c1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4	32W	n-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
+c1cc2c(c(c1)N)CC=NC2=O	32X	5-aminoisoquinolin-1(4h)-one
+c1cc2c(c(c1N)I)C=CC(=O)O2	32Y	6-amino-5-iodo-2h-chromen-2-one
+c1cc2c(c(c1)OCCCCN3CCCCC3)CCNC2=O	32Z	5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2h)-one
+COc1ccccc1c2cc3c(c4cc(ccc4n3CCCO)O)c5c2C(=O)NC5=O	330	9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione
+CCCCCCCN(CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)C(=O)Nc2ccc(cc2F)F	331	(2s)-2-(4-[2-(3-[2,4-difluorophenyl]-1-heptylureido)ethyl]phenoxy)-2-methylbutyric acid
+c1cc2c(cc1OC[C@@H]3COc4ccsc4C(=N3)N)CNCC2	332	(3r)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
+c1cc(ccc1n2ccnc2)Oc3nccc(n3)Oc4ccc5c(c4)OCO5	333	4-(1,3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]pyrimidine
+Cc1cc(c(c(c1)Br)[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N	334	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-bromo-4-methylbenzenolate
+c1ccc(cc1)C(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4	335	[4-(2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl](difluoro)methylphosphonic acid
+c1c(cc(c2c1CCc3cc(cnc3[C@@H]2C4CCN(CC4)C(=O)CC5CCN(CC5)C(=O)N)Br)Br)Cl	336	4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide
+Cc1ccc(cc1n2cc(nn2)C(=O)NCc3ccccc3)C(=O)Nc4cc(cc(c4OC)NS(=O)(=O)C)C(C)(C)C	337	n-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1h-1,2,3-triazole-4-carboxamide
+c1cc2c(cccc2O)c(c1)c3nc4ccc(cc4o3)O	338	2-(5-hydroxy-naphthalen-1-yl)-1,3-benzooxazol-6-ol
+CC(C)[C@@H](C(=O)N[C@@H](CCCNC(N)N)C(=O)c1nccs1)NC(=O)[C@H](CCCNC(=O)N)NC(=O)N[C@H](C)c2ccc(cc2)Br	339	(s)-2-(3-((r)-1-(4-bromophenyl)ethyl)ureido)-n-((s)-1-((s)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-5-ureidopentanamide
+c1ccc(cc1)CNC(=O)c2cc(c[nH]2)c3c(c[nH]n3)c4cccc(c4)Cl	33A	n-benzyl-4-[4-(3-chlorophenyl)-1h-pyrazol-3-yl]-1h-pyrrole-2-carboxamide
+c1cc(c(cc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl	33B	3,3'-(e)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}
+c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O	33C	4-[(3ar,4r,7s,7as)-1,3-dioxooctahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide
+CC(C)(C)CCO	33D	3,3-dimethylbutan-1-ol
+c1cc(c(cc1C(=O)N)[N+](=O)[O-])I	33E	4-iodo-3-nitrobenzamide
+CC[C@H](C)NC(=O)c1ccc(nn1)N2CCN([C@H](C2)C(=O)NCc3ccc(cc3)OC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC(F)(F)F	33F	n-[(2s)-butan-2-yl]-6-[(3r)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4cccc(c4)F)C#N)C5CCC5)C#N)N	33G	(4s)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
+C[C@H](C[C@@H]1C(=O)N([C@@H](CO1)C2CCCCC2)c3cc(sc3C(=O)O)C#CC(C)(C)C)O	33H	3-{(2r,5r)-5-cyclohexyl-2-[(2r)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid
+CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4)Cl)C(=O)N2)N	33I	6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1ccc(cc1)c2cc(c(s2)C(=O)O)N3[C@H](CCC3=O)C4CCCCC4	33J	3-[(2r)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid
+c1ccc(cc1)CN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)CC(=O)O	33K	n-benzyl-n-(carboxymethyl)glycyl-l-histidine
+c1ccc(cc1)C[C@@H](C(=O)NCCN)NC(=O)c2ccccc2	33L	n-(2-aminoethyl)-nalpha-benzoyl-l-phenylalaninamide
+CN(c1cccc2c1cccc2)c3cc4c(nc(nc4nc3)N)N	33M	n~6~-methyl-n~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
+c1ccc(cc1)C(CCNC(=O)c2cccnc2)c3ccccc3	33N	n-(3,3-diphenylpropyl)pyridine-3-carboxamide
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	33O	3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H](C)OP(=O)(O)O)O	33P	{3-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-propyl}-phosphonic acid
+c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(c(c3)Cl)Cl)/C(=O)O)N(=O)=O	33R	(2e)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
+c1cc(cc(c1)I)C[C@@H](C(=O)O)N	33S	3-iodo-l-phenylalanine
+C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F	33T	3-chloro-4-({(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(c3ccccc3)c4ccccc4)N)\N	33U	beta-phenyl-d-phenylalanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+C1CSCN2[C@@H]1C[C@@H](N2)[C@@H]3[C@H](CN[C@@H](CS3)C(=O)O)CO	33V	(3r,6r,7s)-7-[(2r,3ar)-hexahydropyrazolo[1,5-c][1,3]thiazin-2-yl]-6-(hydroxymethyl)-1,4-thiazepane-3-carboxylic acid
+c1cc(sc1C[C@@H](C(=O)O)N)Br	33W	3-(5-bromothiophen-2-yl)-l-alanine
+C[C@H](C(=O)O)NC	33X	n-methyl-d-alanine
+CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F	33Y	1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
+[H]/N=C(/N)\Nc1cccc(c1)[C@H](C[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)O	33Z	(2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(r)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)-2-methylpropyl](hydroxy)phosphoryl]propanoic acid
+Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3	340	5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione
+c1c(cc(cc1F)F)CO	341	(3,5-difluorophenyl)methanol
+c1cc(ccc1n2ccnc2)O[C@H]3CCC[N@@](C3)Cc4ccc5c(c4)OCO5	342	(3s)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1h-imidazol-1-yl)phenoxy]piperidine
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)OCc3ccccc3)O	343	(2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-[(1r)-1-({n-[(benzyloxy)carbonyl]-l-tyrosyl}amino)-2-methylpropyl](hydroxy)phosphoryl]oxy}acetic acid
+c1c2c(cc3c1nc[nH]3)N=C(NC2=O)N	344	6-amino-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one
+c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO	345	4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-4-methyl-tetrahydro-pyran;compound with n-hydroxy-acetamide
+[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)O[C@@H]3CCOC3)OCC)C(=O)O)/N	346	(r)-(4-carbamimidoyl-phenylamino)-[5-ethoxy-2-fluoro-3-[(r)-tetrahydro-furan-3-yloxy]-phenyl]-acetic acid
+CC#CCNc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO	347	tert-butyl 4-({[4-(but-2-yn-1-ylamino)phenyl]sulfonyl}methyl)-4-[(hydroxyamino)carbonyl]piperidine-1-carboxylate
+[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)OC)C(C)C)/N	348	4-[(1r,3as,4r,8as,8br)-1-isopropyl-2-(4-methoxybenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
+c1ccc(c(c1)CNc2c(cnc(n2)NC3=CC4=CC(=O)N=C4C=C3)C(F)(F)F)S(=O)(=O)N5CCCC5	349	5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2h-indol-2-one
+Cc1ccc(cc1C)N	34A	3,4-dimethylaniline
+[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612Cc1c(nc(nc1N)N)C	34B	2,4-diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine
+CCCOc1ccc(cc1Cl)CC(=O)O	34C	(3-chloro-4-propoxy-phenyl)-acetic acid
+c1c(cc(cc1O)O)C(=O)O	34D	3,5-dihydroxybenzoate
+C[C@H](CN1CCN(CC1)CCOC)[C@@H](C(=O)O)NC	34E	(3r)-4-[4-(2-methoxyethyl)piperazin-1-yl]-n-methyl-l-valine
+c1cc(c(cc1[C@H](CCN(C=O)O)P(=O)(O)O)Cl)Cl	34F	(1s)-1-(3,4-dichlorophenyl)-3-[formyl(hydroxy)amino]propyl}phosphonic acid
+CC[C@@H]1CN2CCc3cc(c(cc3[C@H]2C[C@H]1C[C@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC	34G	emetine
+c1cc(ccc1C[C@H](C(=O)O)O)O	34H	(2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
+c1ccc2c(c1)CCC(=O)N2CC(=O)Nc3c(c(cs3)C#N)c4[nH]ncn4	34I	n-[4-cyano-3-(1h-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2h)-yl)acetamide
+c1cc(c(cc1C[C@@H](C(=O)O)NNc2nc(cs2)c3ccc(c(c3)Cl)Cl)N(=O)=O)N	34J	(2s)-3-(4-amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinyl}propanoic acid
+c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(cc3)Br)/C(=O)O)N(=O)=O	34K	(2e)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
+c1cc2c(c3c1ncs3)/C(=C/c4cnc[nH]4)/C(=O)N2	34L	(8z)-8-(1h-imidazol-5-ylmethylidene)-6,8-dihydro-7h-[1,3]thiazolo[5,4-e]indol-7-one
+Cc1nnc(n1c2ccc(cc2)OC)SCc3nc(no3)c4ccc(cc4)OC	34M	3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4h-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
+CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c2ccc(cc2)C#N)c3ccc(cc3)F	34N	4-cyano-n-{(3s)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide
+COc1ccc(cc1F)CSc2nnc(o2)c3ccc4c(c3)OCO4	34O	2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole
+[H]/N=C(/c1csc(n1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N	34P	n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({4-[(e)-amino(imino)methyl]-1,3-thiazol-2-yl}methyl)-l-prolinamide
+c1ccc2c(c1)ncc(n2)C(=O)N3C[C@H]([C@H](C3)N)C(=O)N4CCCC4	34Q	(3r,4r)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@@H](c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N	34R	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-phenylphthalazin-2(1h)-yl]prop-2-en-1-one
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)c4ccccc4)Cc5cnc(nc5N)N	34S	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-phenylphthalazin-2(1h)-yl]prop-2-en-1-one
+C[C@@H]1Cc2cccc(c2NC1)S(=O)=O	34T	(3r)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline
+COCCOc1ccc2c(c1)ncn2c3ccc4cccc(c4n3)N5CCC(CC5)N	34U	1-{2-[5-(2-methoxyethoxy)-1h-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine
+C1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O	34V	beta-l-ribulofuranose
+CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F	34W	n-{2-[(1s,4r)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide
+c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccccc3F	34X	1-(2-amino-4-phenylimidazol-1-yl)-3-(2-fluorophenyl)urea
+Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	34Y	4-[(4-methylpiperazin-1-yl)methyl]-n-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1h-pyrazol-5-yl}benzamide
+c1cc(c(cc1C(=O)O)Cl)Cl	34Z	3,4-dichlorobenzoate
+c1ccc(cc1)Oc2ccccc2NC(=O)Nc3cccc(c3)c4c[nH]c5c4cc(cn5)c6ccc(cc6)CN	351	1-(3-{5-[4-(aminomethyl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea
+C[C@@H](c1ccc(cc1)F)NC2=NC(=O)[C@](S2)(C)C(C)(C)O	352	(5s)-2-{[(1s)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5h)-one
+CCOC1=C(C(=O)N(C=C1)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4Cl)N	353	n-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
+c1cc(ccc1C(N[C@@H](CCC(=O)O)C(=O)O)O)NS(c2ccc3c(c2)c(nc(n3)N)O)(O)O	354	n-[(s)-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl)(hydroxy)methyl]-l-glutamic acid
+CC1=CC=CC2=NC(=CC(=O)N12)CN3c4ccccc4C(=O)N(C3=O)CC5CCC(CC5)C(=O)NCc6ccccc6	355	trans-n-benzyl-4-({1-[(6-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl}methyl)cyclohexanecarboxamide
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)Cc4nc(c5ccccc5n4)C)C	356	8-[(3r)-3-aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1h-purine-2,6-d ione
+CCC1=C(NC(=O)C(=C1Cc2cccc(c2)C)[N@@](C)CCOC)C	357	5-ethyl-3-[(2-methoxyethyl)methylamino]-6-methyl-4-(3-methylbenzyl)pyridin-2(1h)-one
+c1cc(c(c(c1)Cl)N2c3cc(cc(c3CCC2=O)c4ccc(cc4F)F)C5CCNCC5)Cl	358	1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperidin-4-yl-3,4-dihydroquinolin-2(1h)-one
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cc(cc3)OCc4cccc(c4)C(=O)O)NS(=O)(=O)CC)\N	359	3-[[3-[(2r)-3-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1h-indol-5-yl]oxymethyl]benzoic acid
+C[C@@H]1CCc2cccc(c2)C[C@@](C(=O)OCc3cc(nc(c3)[N@](C)S(=O)(=O)C)CC1)(C)N	35A	n-[(5r,14r)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,17,19-hexaen-19-yl]-n-methylmethanesulfonamide
+CNC(=O)N(c1cccc(c1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)C3CCCCC3	35B	4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid
+c1c(cc(c(c1O)O)Cl)Cl	35C	3,5-dichlorobenzene-1,2-diol
+CC(=O)N1CCC(CC1)c2c(nc3ccccc3n2)OC4CN(C4)c5ccc6ccccc6n5	35D	1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone
+c1ccc2c(c1)ccc(n2)N3CC(C3)Oc4c(nccn4)N5CCC(CC5)CO	35E	[1-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}pyrazin-2-yl)piperidin-4-yl]methanol
+c1cc(cc(c1)NC(=O)c2ccco2)c3c4cc(ccc4[nH]n3)c5nc[nH]n5	35F	n-{3-[5-(1h-1,2,4-triazol-3-yl)-1h-indazol-3-yl]phenyl}furan-2-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N	35G	guanosine-3',5'-monophosphate
+CN(Cc1ccc(cc1)[C@@H](CO)O)C(=O)c2ccc(cc2)S(=O)(=O)Nc3ccccc3	35H	n-{4-[(1s)-1,2-dihydroxyethyl]benzyl}-n-methyl-4-(phenylsulfamoyl)benzamide
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N	35I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(3,3,3-trifluoropropyl)phthalazin-2(1h)-yl ]prop-2-en-1-one
+c1cc(cnc1)CNC=S	35J	n-(pyridin-3-ylmethyl)thioformamide
+c1cc2c(cc1CC[C@@H](C(=O)O)N)NC(=O)C(=O)N2	35K	(2s)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid
+c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O	35M	2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
+c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4	35N	copper(ii) tetrapyrrole 
+C[C@H](C(=O)Nc1ccc(cc1)OC)NC2=NC(=O)c3cnn(c3N2)C4CCCC4	35O	n~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl)-n-(4-methoxyphenyl)-d-alaninamide
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)COc2ccccc2)C(=O)O)C	35P	(2r,4s)-5,5-dimethyl-2-{(1r)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid
+CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cccc(c4)CN5CCOCC5	35Q	n-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
+c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5	35R	1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1h-benzimidazol-2-yl]-1h-pyrazol-4-yl}urea
+CC[C@@H](c1cccc(n1)C2CC2)N3[C@@H]([C@H](C[C@](C3=O)(C)CC(=O)O)c4cccc(c4)Cl)c5ccc(cc5)Cl	35S	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
+C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)N2CCCC2)C3CC3)c4ccc(cc4)Cl)c5cccc(c5)Cl)CC(=O)O	35T	{(3r,5r,6s)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
+COc1cc(ccc1OCCS)CCNC[C@@H](c2ccc(c(c2)O)O)O	35V	4-[(1r)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol
+c1ccc(cc1)Cn2cc(cn2)c3c[nH]c4c3nc(cn4)c5ccncc5	35W	7-(1-benzyl-1h-pyrazol-4-yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine
+CCCn1cc(cn1)c2c[nH]c3c2nc(cn3)c4ccncc4	35X	7-(1-propyl-1h-pyrazol-4-yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine
+C([C@@H](C(=O)O)N)NC(=O)c1[nH]nnn1	35Y	3-[(1h-tetrazol-5-ylcarbonyl)amino]-l-alanine
+COc1cccc(c1)c2nccc(n2)c3cc4c([nH]3)C5(CCN(CC5)C(=O)C=C)CNC4=O	35Z	2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{h}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
+c1cncc2c1n3c(n2)C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F	361	(7r,8r)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine
+c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4	362	2-(1h-pyrazol-4-yl)-7-(pyridin-3-yl)-5h-pyrrolo[2,3-b]pyrazine
+c1c[nH]c2c1nc(cn2)c3c[nH]nc3	363	2-(1h-pyrazol-4-yl)-5h-pyrrolo[2,3-b]pyrazine
+c1ccc(cc1)c2cccc(c2)c3ccc[n+](c3)CC(O)(P(=O)(O)O)P(=O)(O)O	364	3-biphenyl-3-yl-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium
+[B-]12(c3c(cccc3OCCCO)[C@H](O1)CN)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	365	[(1s,5r,6r,7's,8r)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate
+[H]/N=C(/c1ccc2cccc(c2c1)NC(=O)c3cccc(c3)S(=O)(=O)OCCCO)\N	367	3-hydroxypropyl 3-[({7-[amino(imino)methyl]-1-naphthyl}amino)carbonyl]benzenesulfonate
+[H]/N=C(/N)\NC[C@@H](c1ccc(cc1)B2OC[C@H](O2)CO)OC(=O)c3cccnc3	368	(1r)-2-{[amino(imino)methyl]amino}-1-{4-[(4r)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl nicotinate
+Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O	369	5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol
+c1cc(cc(c1)Cl)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCC[C@@H](C(=O)O)N)O)O	36A	(s)-2-amino-4-(((2s,3s,4r,5r)-5-(6-(3-chlorobenzylamino)-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid
+c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)F	36C	3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+CCC[C@@H](C(=O)O)NC(=O)[C@@H]([C@H](Cc1cccs1)N)O	36D	n-[(2r,3s)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-l-norvaline
+c1ccc2c(c1)[nH]c(n2)C(F)(F)F	36E	2-(trifluoromethyl)-1h-benzimidazole
+Cc1ccc2c(c1)N(C(=O)O2)CCCCn3cc(nn3)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5	36F	5-methyl-3-[4-(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3h)-one
+COc1ccccc1NC(=O)N2CCCc3c2cccc3	36G	n-(2-methoxyphenyl)-3,4-dihydro-2h-quinoline-1-carboxamide
+Cc1cnc(nc1c2cnn(c2)C(C)C)Nc3ccc(c(c3)F)N4CCC(CC4)N(C)CCO	36H	2-((1-(2-fluoro-4-((4-(1-isopropyl-1h-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol
+c1ccc(cc1)c2nc3ccsc3c(n2)N4CCOCC4	36I	4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine
+C[C@H]1CCC[C@@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O	36J	(3s,7r,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one
+CCn1c2ccccc2nc1NC(=O)Nc3ccccc3OC	36K	1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea
+Cc1nc(co1)/C=C(\C)/C=C/C=C(\C)/[C@@H]([C@@H](C)[C@@H]2C[C@@H]([C@@]3([C@H](O3)/C=C/[C@H]([C@H]4C[C@@H](C/C=C/C(=O)O2)CC(=O)O4)C)C)O)OC	36L	(1r,2r,3e,5r,7r,8s,10s,13e,16r)-8-hydroxy-10-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione
+CCCOC(=O)c1ccc(cc1)O	36M	propyl 4-hydroxybenzoate
+c1c[nH]c2c1nccn2	36N	5h-pyrrolo[2,3-b]pyrazine
+c1[nH]c2c(n1)c(ncn2)NC3CCCCC3	36O	n-cyclohexyl-9h-purin-6-amine
+c1ccc2c(c1)CCN2C(=O)c3csc(n3)c4ccsc4	36P	2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
+c1ccc(cc1)C[C@@H](CO)Nc2c3c([nH]cn3)ncn2	36Q	(2s)-3-phenyl-2-(9h-purin-6-ylamino)propan-1-ol
+c1cc2c(cc1Cl)nc(o2)N	36R	5-chloro-1,3-benzoxazol-2-amine
+CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)Cl	36S	2-{4-[3-chloro-2-(2-methoxyphenyl)-1h-indol-5-yl]piperidin-1-yl}-n-methylethanamine
+c1ccc(c(c1)SC2=C(C[C@@H](CC2=O)c3c(cccc3Cl)Cl)O)Cl	36U	(5s)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one
+c1ccc(cc1)C2CC(=O)C(C(=O)C2)Sc3ccccc3[N+](=O)[O-]	36V	trans-2-[(2-nitrophenyl)sulfanyl]-5-phenylcyclohexane-1,3-dione
+CN1C2=C(CCC2)C(=N)C3=C1CCC3	36X	4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1h)-imine
+c1cc(ccc1c2c[nH]cn2)Br	36Y	4-(4-bromophenyl)-1h-imidazole
+Cc1c(c(on1)C)c2cc(cc(c2)N)C(=O)OC	36Z	methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
+Cc1c(c(n[nH]1)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5	370	4-[(2-{5-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine
+Cc1cc2c(c(c1)N3CCCS3(=O)=O)OC(=C(C2=O)O)c4ccc(c(c4)O)O	371	2-(3,4-dihydroxyphenyl)-8-(1,1-dioxidoisothiazolidin-2-yl)-3-hydroxy-6-methyl-4h-chromen-4-one
+CC(=O)Nc1ccc2c(c1)[C@H](C(=O)N2C)CC#N	372	n-[(3r)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1h-indol-5-yl]acetamide
+c1ccc2c(c1)C=C(C(=O)N2)c3cc4cc(ccc4[nH]3)CN5CCC(CC5)CN	373	3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)quinolin-2(1h)-one
+C[C@@H]1CN(C[C@H](N1C(=O)c2ccc(cc2F)OC)C)C(=O)c3ccc(cc3F)OC	374	(2-fluoranyl-4-methoxy-phenyl)-[(3~{r},5~{r})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
+c1ccc2c(c1)cccc2NC(=O)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	376	n-[(naphthalen-1-ylamino)(oxo)acetyl]-beta-d-glucopyranosylamine
+C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C	377	memantine
+CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2cccs2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O	378	methyl ~{n}-[(2~{s})-3,3-dimethyl-1-[2-[(4~{r})-5-[[(2~{s})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate
+c1ccc(cc1)C[C@H](CP(=O)([C@H](CCc2cccnc2)N)O)C(=O)O	379	3-{[(r)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(s)-2-benzylpropanoic acid
+c1ccc(cc1)c2ccc(cc2)CNC(=O)[C@H]3[C@@H]4CN(C[C@@H](O4)O3)C(=O)NO	37A	(1s,5s,7r)-n~7~-(biphenyl-4-ylmethyl)-n~3~-hydroxy-6,8-dioxa-3-azabicyclo[3.2.1]octane-3,7-dicarboxamide
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O	37B	(2s)-3-[(s)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
+Cc1c(c([nH]n1)c2ccco2)C(=O)OC	37D	methyl 5-furan-2-yl-3-methyl-1h-pyrazole-4-carboxylate
+C1CCC(CC1)NC[C@H](N)P(=O)(O)O	37E	[(1r)-1-amino-2-(cyclohexylamino)ethyl]phosphonic acid
+CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cc5ccccc5nc4	37F	n-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)[nH]cc5C(=O)O	37G	6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1h-indole-3-carboxylic acid
+[H]/N=C(/N)\NC[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	37H	(5s)-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-n~6~-carbamimidoyl-l-lysine
+CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4ccnc(c4Cl)NC)N	37I	4-[6-(4-amino-4-methylpiperidin-1-yl)-1h-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-n-methylpyridin-2-amine
+c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F)OC(F)(F)F	37J	2-{[2-(trifluoromethoxy)benzoyl]amino}-n-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@H](c5cc(c(c(c5)OC)OC)OC)[C@H]6CCCC=C6	37K	(1r)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2s)-1-[(2s)-2-[(1s)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](CC=C)c4cc(c(c(c4)OC)OC)OC	37L	(3-{(1r)-3-(3,4-dimethoxyphenyl)-1-[({(2s)-1-[(2s)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)NCc3c(ccc4c3OC5=CC(=O)C=CC5=C4c6ccccc6C(=O)O)O)OC(=O)[C@@H]7CCCCN7C(=O)[C@H](c8cc(c(c(c8)OC)OC)OC)[C@H]9CCCC=C9	37M	2-(5-{[({3-[(1r)-1-[({(2s)-1-[(2s)-2-[(1s)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid
+Cc1c(c(on1)C)c2cc(cc(c2)NS(=O)(=O)c3ccccc3)C(=O)O	37N	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid
+CCC(=O)Nc1ccc(cc1)CN2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)CN(C2=O)c6cc(cc(c6)OC)OC	37O	n-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]methyl}phenyl)propanamide
+c1cc2c(cc1O)OC3=CC(=O)C(=CC3=N2)CCCCC(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@H](O4)n5cnc6c5ncnc6N)O)O	37P	5'-o-{[5-(7-hydroxy-3-oxo-3h-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine
+C=CC(=O)Nc1ccc2c(c1)n(cn2)c3cncc(n3)Nc4ccccc4	37Q	n-{1-[6-(phenylamino)pyrazin-2-yl]-1h-benzimidazol-6-yl}prop-2-enamide
+c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O	37R	5-(3,7-dihydroxy-10h-phenoxazin-2-yl)pentanamide
+Cn1cnc2c1C(=O)NC(=O)N2C	37T	theobromine
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)F)N	37U	d-phenylalanyl-n-(3-fluorobenzyl)-l-prolinamide
+c1ccc2c(c1)nc(s2)CNC(=O)c3ccc(cc3OCC(=O)O)F	37V	{2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid
+Cc1ccc(cc1C)c2c(sc(c2C(=O)N)NC(=O)CCCC(=O)O)C	37W	5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid
+CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O	37X	octyl glucose neopentyl glycol 
+C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3	37Y	n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide
+C(CCNCCCCN)CN	37Z	sym-homospermidine
+COc1ccc(cc1OC)[C@H](C(=O)NCc2ccccc2)Nc3ccc(cc3)C(=N)N	380	(2r)-2-({4-[amino(imino)methyl]phenyl}amino)-n-benzyl-2-(3,4-dimethoxyphenyl)acetamide
+C1CCC(CC1)CP(=O)(CCCN)O	381	(s)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid
+c1ccc(c(c1)Cc2nc3c(o2)ccnc3NCC([C@H]4CCCCN4)(F)F)n5cncn5	382	(r)-2-(2-(1h-1,2,4-triazol-1-yl)benzyl)-n-(2,2-difluoro-2-(piperidin-2-yl)ethyl)oxazolo[4,5-c]pyridin-4-amine
+c1cc(ccc1C[C@@H](C(=O)N[C@@H]([C@H]2[C@@H]([C@@]3(CO[C@@H]([C@@H]3O)[N@@]2O)O)O)C(=O)O)N)O	383	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (2,4,5,8-tetrahydroxy-7-oxa-2-aza-bicyclo[3.2.1]oct-3-yl)- acetic acid
+COCCN1C[C@@H]([C@H]2CCC[C@@H](C1=O)N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)OCCOC	384	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
+Cc1nc(cs1)COc2ccc(cc2)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)O)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6	385	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzyl}propyl]carbamate
+c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc5c(cc4n3)OC(O5)(F)F)OC(F)(F)F	386	n-(2,2-difluoro-5h-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide
+c1cc(cc(c1)O)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl	387	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br	388	(2-{[(4-bromo-2-fluorobenzyl)amino]carbonyl}-5-chlorophenoxy)acetic acid
+C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(c2ccccc2)c3ccccc3)N	389	l-alanyl-l-valyl-n-(2,2-diphenylethyl)-l-prolinamide
+Cc1c(c(c(c(c1CO)C)CO)C)CO	38A	(2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol
+CC1=Nc2c(c(no2)c3ccccc3OC)C(=O)N1	38B	3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5h)-one
+COc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O	38C	3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+c1cc(c(cc1C(=O)N/N=C/c2ccc(cc2Cl)Cl)O)O	38D	n'-[(e)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide
+CC1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1C	38E	(5z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4h-imidazol-4-one
+Cc1ccc(cc1C)OC[C@H](CNC2Cc3ccccc3C2)O	38F	(2s)-1-(2,3-dihydro-1h-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
+CN(C)CCN[C@@H](c1cccc(c1)c2cnc3n2nc(cc3)c4ccc(c(c4)OC)O)O	38G	4-(3-{3-[(r)-{[2-(dimethylamino)ethyl]amino}(hydroxy)methyl]phenyl}imidazo[1,2-b]pyridazin-6-yl)-2-methoxyphenol
+c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O	38H	2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1h)-yl]-5-{3-[4-(1h-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid
+[B-](CCCC[C@@](C1C[C@H]2CC[C@@H](C1)N2Cc3ccc(c(c3)Cl)Cl)(C(=O)O)N)(O)(O)O	38I	{(5r)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	38J	alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-beta-d-glucopyranose
+COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)S(=O)(=O)N	38K	3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid
+c1cc(c(c(c1)O)[N+](=O)[O-])O	38L	2-nitrobenzene-1,3-diol
+CCCC[C@@H](C(=O)N1CCC[C@@]2(C1)CCCNC2)SC3=Nc4ccccc4C(=O)N3c5cccc(c5)Cl	38M	3-(3-chlorophenyl)-2-({(1s)-1-[(6s)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3h)-one
+C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3	38N	n-(morpholin-4-ylacetyl)-l-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide
+CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)C4=C(c5c(cccc5F)NC4=O)N	38O	4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]quinolin-2(1h)-one
+CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NC4CC4	38P	4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-n-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+COc1c(cnc(n1)OC)c2ccc3c(c2)ncc(c3Nc4cccc(c4)C(=O)O)C(=O)N	38Q	3-{[3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino}benzoic acid
+c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc(n[nH]3)C4CCCC4	38R	[4-({4-[(3-cyclopentyl-1h-pyrazol-5-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO	38S	1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	38T	5-methyluridine
+CC1=C(Cc2c1cccc2)C(=O)O	38U	3-methyl-1h-indene-2-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)O)N	38V	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3-[[(2r,3s,4r,5r)-5-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
+CC(C)(C)Nc1nnc(o1)c2ccc3c(c2)c(c[nH]3)c4nccc(n4)C5CC5	38W	n-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1h-indol-5-yl]-1,3,4-oxadiazol-2-amine
+CC1=C(Cc2c1cccc2)C(=O)N[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](CC5CCCCC5)C(=O)[C@H](C)CO	38X	n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-l-tryptophanamide
+B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)O[C@H](CN)c5cc(ccc5Br)OCC	38Y	3-(aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3h)-ol-modified adenosine
+c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7	38Z	(3r)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-n-[3-(pyridin-4-yl)-2h-indazol-5-yl]pyrrolidine-3-carboxamide
+Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl)Nc4ccc(cc4Cl)F	390	4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-1h-pyrrole-2-carboxamide
+Cc1cc(nc(n1)Oc2ccc(cc2)n3ccnc3)Oc4ccc5c(c4)OCO5	391	4-(1,3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]-6-methylpyrimidine
+c1ccc(c(c1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl)O	392	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea
+c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl	393	(5-chloro-2-{[(3-nitrobenzyl)amino]carbonyl}phenoxy)acetic acid
+CC1(CCC(c2c1ccc(c2)[C@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C	394	r-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid
+CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C	395	s-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid
+Cn1c2cc(c3c(c2c4c1cc(c(c4)O)C(=O)NCCN5CCCC5)C(=O)NC3=O)c6ccccc6Cl	396	4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-n-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide
+c1cc(ccc1c2cc3cc(ccc3o2)O)O	397	2-(4-hydroxy-phenyl)benzofuran-5-ol
+CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl	398	n,n-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1h-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide
+Cn1cnc2c1[n+](cnc2N)C	39A	6-amino-3,9-dimethyl-9h-purin-3-ium
+[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@H]54)Cc1c(nc(nc1N)N)C	39B	(s)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine
+C[C@H](CO)C(=O)[C@H](Cc1ccccc1)N	39C	(2s,4r)-2-amino-5-hydroxy-4-methyl-1-phenylpentan-3-one
+c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc(cc3)C(=O)N)NC(=O)C4CCC(CC4)CN	39D	4-{2-[(1s)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1h-imidazol-4-yl}benzamide
+[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@@H]54)Cc1c(nc(nc1N)N)C	39E	(r)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl)methyl)-6-methylpyrimidine
+c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)n[nH]c4N)Cl)NC(=O)C5CCC(CC5)CN	39F	trans-n-{(1s)-1-[4-(3-amino-2h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexane-1-carboxamide
+CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(ccc3C)S(=O)(=O)N(C)C	39G	n-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1h-pyrazole-4-carboxamide
+CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)c5c(o4)CCCC5	39H	2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-n-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide
+c1ccc(cc1)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CC5	39I	~{n}4-(3-cyclopropyl-1~{h}-pyrazol-5-yl)-~{n}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
+CC[C@@H](C(=O)O)Cl	39J	(2s)-2-chlorobutanoic acid
+CC(C)CN(Cc1ccc(s1)c2ccc(cc2)S(=O)(=O)C)S(=O)(=O)Cc3ccccc3	39K	n-(2-methylpropyl)-n-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide
+c1ccn2c(c1)ncc2CC(F)(P(=O)(O)O)P(=O)(O)O	39L	[1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	39N	beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose
+Cc1cc2c(cc1N)N(C(=O)N2C)C	39O	5-amino-1,3,6-trimethyl-1,3-dihydro-2h-benzimidazol-2-one
+CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)Nc4ccon4	39P	4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-n-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+C[C@H](CO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3	39Q	n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-o-methyl-l-tyrosinamide
+c1ccc(cc1)c2[nH]c(nn2)c3cccc(c3)N	39R	3-(5-phenyl-4h-1,2,4-triazol-3-yl)aniline
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N	39S	n-[4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid
+CC1(Cc2c(sc(n2)N)C(=O)NC1)C	39U	2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[5,4-c]azepin-4-one
+CC1=C(Cc2c1cccc2)C(=O)N[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)[C@H](C)CO	39V	n-[(3-methyl-1h-inden-2-yl)carbonyl]-d-alanyl-n-[(2s,4r)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-l-tryptophanamide
+CC(C)c1csc(n1)c2cc(c3ccc(c(c3n2)F)OC)O[C@H]4C[C@H]5C(=O)N(CCCC/C=C\[C@@H]6C[C@]6(NC(=O)N5C4)C(=O)NS(=O)(=O)C7(CC7)C)C	39W	(2s,3as,10z,11as,12ar)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-n-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12ah-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide
+c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3[nH]c4cc(ccc4n3)F)C(=O)O	39X	3-(6-fluoro-1h-benzimidazol-2-yl)-n-(naphthalen-2-ylcarbonyl)-d-alanine
+CC[C@H](C)C/C=C/C(=O)O	39Y	(2e,5s)-5-methylhept-2-enoic acid
+CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)O	39Z	5-hydroxy-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-2-one
+C[C@H]1CCN[C@@H](C1)C(=O)O	3A0	(2s,4s)-4-methylpiperidine-2-carboxylic acid
+C[C@H](C[P@](=O)([C@H](Cc1ccccc1)NC(=O)Cc2ccccc2)O)C(=O)NC(CCCCN)C(=O)N[C@H](CO)C(=O)O	3A1	n~2~-{(2s)-3-[(r)-hydroxy{(1r)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-l-lysyl-d-serine
+CCCCC(C(=O)O)NC(=O)C1CCCN1C(=O)CC[P@](=O)([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)CN)O	3A2	1-{3-[(r)-{(1r)-1-[(glycyl-l-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-l-prolyl-d-norleucine
+c1cc-2c(cc1OCC(=O)O)C(=NO)c3c2ccc(c3)OCC(=O)O	3A3	2,2'-{[9-(hydroxyimino)-9h-fluorene-2,7-diyl]bis(oxy)}diacetic acid
+c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@H]3CN[C@@H](Cc5cnc[nH]5)C=O	3A4	(2s)-2-({[(3s,4as,8ar)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
+C/C(=N\[C@@H](CC(=O)O)C(=O)OC)/C(=O)O	3A5	(2z,4s)-3-aza-5-carboxyl-2-methyl-4(methylcarboxy)pent-2-enoyl
+Cc1cc(ccn1)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)NS(=O)(=O)C)N	3A6	3-amino-6-fluoro-2-[4-(2-methylpyridin-4-yl)phenyl]-n-(methylsulfonyl)quinoline-4-carboxamide
+c1cc(ccc1C(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O)Br	3A7	(2s)-2-({[(3s,4ar,8as)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
+c1ccc(cc1)c2c3c([nH]n2)C(=O)N[C@H]3c4ccc(cc4)O	3A8	(4s)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1h)-one
+c1cc2c(cc1C(=O)O)CCO2	3A9	2,3-dihydro-1-benzofuran-5-carboxylic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)N	3AA	3-aminopyridine-adenine dinucleotide phosphate
+c1cc(cc(c1)N)C(=O)N	3AB	3-aminobenzamide
+CCC1=C(NC(=O)C(=C1Oc2cccc(c2)C=CC#N)I)C	3AC	(2e)-3-{3-[(5-ethyl-3-iodo-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)oxy]phenyl}acrylonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N	3AD	3'-deoxyadenosine
+c1cc(ccc1C(=O)O)C(F)(F)F	3AE	4-(trifluoromethyl)benzoic acid
+CCC[C@@H](C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)N[C@H](C)CCC)N	3AF	2,5-bis{[4-(2-pentyl)diaminomethyl]phenyl}furan
+CC(=CCC[N@](C)CCO[P@](=O)([O-])OP(=O)([O-])[O-])C	3AG	2-[methyl-(4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate
+c1c(ncn1c2[nH]nc(n2)N)C[C@@H](C(=O)O)N	3AH	[histidin-1-yl-4h-[1,2,4]triazol-5-yl]-amine
+CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](CCSC)NC[C@H](Cc1ccccc1)N	3AI	n-[(2s)-2-amino-3-phenylpropyl]-d-methionyl-l-alanyl-l-isoleucine
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCC4(CC4)C#N)O)C	3AJ	1-({[(1r,2s,3r,5z,7e,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile
+c1ccc(cc1)CN2c3ccccc3C(=O)C2=O	3AK	1-benzyl-1h-indole-2,3-dione
+[C@H]1(C(=O)NC(=O)N1)NC(=O)N	3AL	1-[(4s)-2,5-dioxoimidazolidin-4-yl]urea
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N	3AM	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N)O)N	3AN	3'-deoxy 3'-amino adenosine-5'-diphosphate
+CC(=O)c1cccc(c1)N	3AO	1-(3-aminophenyl)ethanone
+c1cc(c[nH+]c1)N	3AP	3-aminopyridine
+c1cc(ccc1CC#N)O	3AQ	(4-hydroxyphenyl)acetonitrile
+CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N	3AR	n-omega-propyl-l-arginine
+COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CC(C3)(F)F)c4ccc(cc4)O)O	3AS	(3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N	3AT	3'-deoxyadenosine-5'-triphosphate
+C1=CN(C(=O)N(C1=O)CC[C@@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3AU	3-[(3s)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate)
+Cc1ccc2c(c1)C=CC(=O)O2	3AV	6-methyl-2h-chromen-2-one
+Cc1nc(nc(n1)N)N	3AW	6-methyl-1,3,5-triazine-2,4-diamine
+c1cn[nH]c1N	3AX	1h-pyrazol-5-amine
+c1c(nc(nc1N)N)N	3AY	pyrimidine-2,4,6-triamine
+c1cc(cc(c1)C(=O)O)CN	3AZ	3-(aminomethyl)benzoic acid
+c1cc(ncc1C(F)(F)F)N	3B0	5-(trifluoromethyl)pyridin-2-amine
+c1ccc(cc1)[C@H](C#N)N2CCOCC2	3B1	(2r)-morpholin-4-yl(phenyl)ethanenitrile
+Cc1cc(no1)CSCc2cc(no2)CSCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	3B2	(14r)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate
+c1cc2c(ccc(c2nc1)NC[C@H](CN)O)[N+](=O)[O-]	3B3	(2s)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol
+c1ccc(c(c1)C(=O)O)NC2CCCCC2	3B4	2-(cyclohexylamino)benzoic acid
+CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC(=O)c4cccnc4)C(=O)NCCC[NH+](C)C	3B5	aik-18/51
+C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)I)C#N)O	3B6	(2s)-n-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O	3B7	beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose
+c1cc2c(cc1F)C(=O)c3cc(c(nc3O2)N)C(=O)N	3B8	2-amino-7-fluoro-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxamide
+CC(C)(CNC(=O)c1ccc(cc1)Oc2ccccc2)c3ccc4c(nc(nc4n3)N)N	3B9	n-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide
+CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)NCCc3c[nH]cn3	3BA	7-amino-2-tert-butyl-4-{[2-(1h-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide
+C=C(CCO)Br	3BB	3-bromobut-3-en-1-ol
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)N(C)C)C	3BC	tert-butyl [(1s)-1-({(1r,2s,5s)-2-[(3s,10s)-3-(cyclopropylmethyl)-12-methyl-4,5,8,11-tetraoxo-10-phenyl-2,6,9,12-tetraazatridecan-1 -oyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}carbonyl)-2,2-dimethylpropyl]carbamate
+CC(C)(C)c1nc2c(cc(c(n2)N)C(=O)N)c(n1)N3CCN(CC3)c4ncccn4	3BD	7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
+c1cc(cc(c1)Br)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	3BE	3-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
+CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3nc(cn3C)NC(=O)C)C(=O)NCCC[NH+](C)C	3BF	thiazotropsin b
+Cc1cc(c(cc1Oc2cc(nc(n2)N3CCN(CC3)C(=O)C)NCc4[nH]c5ccccc5n4)OC)OC	3BG	1-(4-{4-[(1h-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone
+c1nc(c2c(n1)n(c(n2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	3BH	(2r,3r,4s,5r)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
+C[N@](Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CC[P@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	3BI	(2s)-2-{[(r)-[(3r)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid
+c1ccc2c(c1)[nH]c(n2)CNc3nc(nc(n3)N4CCOCC4)Nc5ccc(cc5Cl)Cl	3BJ	n-(1h-benzimidazol-2-ylmethyl)-n'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
+c1cc(c(cc1CNc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl)Cl	3BK	(2r,3r,4s,5r)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
+c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@H]4CCCC[C@@H]4C[C@H]3CN[C@@H](Cc5cnc[nH]5)C=O	3BL	(2s)-2-({[(3s,4ar,8as)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
+c1cc(c(cc1I)Cl)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O	3BM	2-[(2-chloro-4-iodophenyl)amino]-n-{[(2r)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide
+CN(c1cc(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNC3CC3)O)C(=O)c4ccccc4)S(=O)(=O)C	3BN	3-benzoyl-n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]benzamide
+c1ccc2c(c1)c(c[nH]2)CC#N	3BO	1h-indol-3-ylacetonitrile
+CCS(=O)(=O)N[C@H](Cc1ccc(cc1)c2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N	3BP	2-(3-biphenyl-4-yl-2-ethanesulfonylamino-propionylamino)-pentanedioic acid 5-amide 1-(4-carbamimidoyl-benzylamide)
+c1cc2cnccc2cc1NC(=O)NCCC3(CCCCC3)CN	3BQ	1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea
+CCCBr	3BR	1-bromopropane
+CC1(CC(CC(N1O)(C)C)NC(=S)Nc2ccc(cc2Cl)S(=O)(=O)N)C	3BS	3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide
+[H]/N=C(\N)/SCCc1cccc(c1)CCSC(=N)N	3BT	2-{2-[3-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea
+C([C@@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O	3BU	l-allose
+C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3)O	3BV	n-{(2s)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-l-leucyl-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-phenylalaninamide
+c1cc(ccc1Oc2ccc(cc2)Cl)SCC3(CCOCC3)C(=O)NO	3BW	4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-n-hydroxytetrahydro-2h-pyran-4-carboxamide
+c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)OCC4(CCOCC4)C(=O)NO	3BX	n-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2h-pyran-4-carboxamide
+CN1CCC[C@H]1C(=O)O	3BY	1-methyl-l-proline
+c1cc(cc(c1)Cl)C(=O)O	3BZ	3-chlorobenzoate
+C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)C	3C0	n-methyl scopolamine
+CCN1CNS(=O)(=O)c2c1ccnc2	3C1	4-ethyl-3,4-dihydro-2h-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
+CCN1CNS(=O)(=O)c2c1cccn2	3C2	4-ethyl-3,4-dihydro-2h-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide
+CCCn1c(nc(n1)C2=C(NON2)N)C3=C(NON3)N	3C3	4,4'-(1-propyl-1h-1,2,4-triazole-3,5-diyl)bis(2,5-dihydro-1,2,5-oxadiazol-3-amine)
+c1cc(c(cc1CC(=O)O)Cl)O	3C4	(3-chloro-4-hydroxyphenyl)acetic acid
+CNCc1cccc(c1)c2cccnc2	3C5	n-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
+c1cc(cnc1)c2ccc(cc2)C(=O)N[C@@H](CCCCN)C(=O)N	3C6	n~2~-[4-(pyridin-3-yl)benzoyl]-l-lysinamide
+C1[C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O	3C7	(3r,5r,7as)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
+Cc1c[nH]nc1[C@H]2CCCN(C2)c3ccc4c(n3)c(ncn4)N	3C8	6-[(3s)-3-(4-methyl-1h-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
+CC(C)CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)Nc2cnc3c(n2)cc[nH]3	3C9	1-{(3s)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5h-pyrrolo[2,3-b]pyrazin-2-yl)urea
+c1cc(c(cc1c2ccc(cc2Cl)Cl)C(=O)O)O	3CA	2',4'-dichloro-4-hydroxy-1,1'-biphenyl-3-carboxylic acid
+CC[C@@H](C)[C@H](C(=O)N[C@@H](CCC(=N)N)C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc2cccc(c2)C(=O)O	3CB	n-[(3-carboxybenzyl)sulfonyl]isoleucyl-n~1~-{4-[amino(imino)methyl]benzyl}-5-iminoornithinamide
+CCCC(CCC)C(=O)N[C@@H]1Cc2ccc(cc2C1)S(=O)(=O)N	3CC	n-[(2r)-5-(aminosulfonyl)-2,3-dihydro-1h-inden-2-yl]-2-propylpentanamide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)CCl	3CD	3-(chloroacetyl) pyridine adenine dinucleotide
+c1cc(c(c(c1)Cl)O)O	3CE	3-chlorobenzene-1,2-diol
+c1cc(cc(c1)C#N)C[C@@H](C(=O)O)N	3CF	3-cyano-l-phenylalanine
+c1cc(cc(c1)[Sb](=O)(O)O)C=CC(=O)O	3CG	(2z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid
+c1cc(cc(c1)Cl)O	3CH	3-chlorophenol
+CCCC1=CC(=O)NC(=S)N1	3CJ	6-propyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@H]([C@H](O2)CO)O)O)CO)O)O)O)O	3CK	beta-d-tagatofuranosyl alpha-d-glucopyranoside
+C(CO)CCl	3CL	3-chloropropanol
+C1CCC(CC1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	3CM	3-cyclohexylpropyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CCCN	3CN	3-aminopropane
+[Co+3]	3CO	cobalt (iii) ion
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC(=O)O)O	3CP	3-carboxypropyl-coenzyme a
+CN(C)CC#Cc1ccc(c(c1)F)OCCCc2c(nc(s2)N3CCc4cccc(c4C3)C(=O)Nc5nc6ccccc6s5)C(=O)O	3CQ	2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1h)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid
+c1ccc(cc1)C/C(=N\O)/C(=O)O	3CR	(2e)-2-(hydroxyimino)-3-phenylpropanoic acid
+CC(C)(C)CC(=O)c1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)I)OCc4ccc5ccccc5n4	3CS	3-[3-(3,3-dimethylbutanoyl)-1-(4-iodobenzyl)-5-(quinolin-2-ylmethoxy)-1h-indol-2-yl]-2,2-dimethylpropanoic acid
+c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O	3CT	3-chloro-l-tyrosine
+C1[C@@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@H]2O)O)CO)O)O	3CU	casuarine
+Cc1c(nc(c(n1)N2CCC(CC2)(C)N)CO)c3cccc(c3Cl)Cl	3CW	[3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
+C1CCC(CC1)NCC(CS(=O)(=O)O)O	3CX	(2s)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
+CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@@H](C3)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc4ccccc4	3CY	(3s)-3-[({(2s)-5-[(n-acetyl-l-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid
+C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)C(C)(C)C)c3ccc(cc3)[N+](=O)[O-]	3CZ	(2r)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
+C[C@@H]([C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N)NC[C@@H](COCc2cccnc2)NC(=O)[C@@H](CCCCN)NC(=O)C)O	3D0	n-[(2s)-2-[(n~2~-acetyl-d-lysyl)amino]-3-(pyridin-3-ylmethoxy)propyl]-l-allothreonyl-d-phenylalaninamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N	3D1	(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol
+c1cc(cc(c1)c2cccnc2)CN[C@@H](CCCCN)C(=O)N	3D2	n~2~-[3-(pyridin-3-yl)benzyl]-l-lysinamide
+c1nc(c2c(n1)nc([nH]2)SCC(=O)N)N	3D3	2-[(6-amino-7h-purin-8-yl)thio]acetamide
+C[C@H]([C@@H]([C@H](N[C@H](Cc1ccccc1)C(=O)N)O)NC(=O)CNC(=O)[C@H](CCCCN)NCc2ccc(cc2)c3cccnc3)O	3D4	n~2~-[4-(pyridin-3-yl)benzyl]-l-lysyl-n-[(1r,2s,3r)-1-{[(2r)-1-amino-1-oxo-3-phenylpropan-2-yl]amino}-1,3-dihydroxybutan-2-yl]glycinamide
+c1cc(cnc1)c2ccc(cc2)CN[C@H](CCCCN)C(=O)N	3D5	n~2~-[4-(pyridin-3-yl)benzyl]-d-lysinamide
+c1cc(cnc1)c2ccc(cc2)CN[C@@H](CCCCN)C(=O)N	3D6	n~2~-[4-(pyridin-3-yl)benzyl]-l-lysinamide
+Cn1cc(cn1)C2=CNC(=O)C(=C2)N	3D7	3-amino-5-(1-methyl-1h-pyrazol-4-yl)pyridin-2(1h)-one
+c1cc(cnc1)Nc2c3cccn3ncn2	3D8	n-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
+c1ccc(cc1)c2cc3c(ncnn3c2)Nc4ccncc4	3D9	6-phenyl-n-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N	3DA	3'-deoxyadenosine-5'-monophosphate
+c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N	3DB	5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
+c1cnccc1Nc2c3cc(cn3ncn2)c4c[nH]nc4	3DC	6-(1h-pyrazol-4-yl)-n-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
+c1cnc(c2c1n(cn2)C[C@H]([C@H](C(=O)O)O)O)N	3DD	(2r,3r)-4-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxybutanoic acid
+CCOC(=O)c1c([nH+]n(c1C)c2ccccc2)C	3DE	3,5-dimethyl-1-phenyl-1h-pyrazole-4-carboxylic acid ethyl ester
+c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO)O)N=C(NC2=O)N	3DG	9-(3-deoxy-beta-d-ribofuranosyl)guanine
+CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	3DH	5'-s-ethyl-5'-thioadenosine
+c1cc(c(c(c1)O)N)C(=O)C[C@@H](C(=O)O)N	3DJ	(2s)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
+Cn1cc(cn1)c2cc3c(c[nH]c3nc2)c4cnn(c4)Cc5cc(ccc5F)F	3DK	3-[1-(2,5-difluorobenzyl)-1h-pyrazol-4-yl]-5-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
+c1cc(cc(c1)O)c2cncc(n2)c3ccc(cc3)C(=O)O	3DL	4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid
+COc1cccc(c1O)OC	3DM	2,6-dimethoxyphenol
+Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCC(CC4)N(C)C	3DN	3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2h)-one
+C1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O	3DO	3-deoxy-beta-d-glucopyranose
+CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]	3DP	3-(n,n-dimethyloctylammonio)propanesulfonate
+COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O	3DQ	(1r,2s,4s,5r)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
+C1CO[C@@H]([C@H]1O)COP(=O)(O)O	3DR	1',2'-dideoxyribofuranose-5'-phosphate
+C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O	3DS	(4s,5r)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
+CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)CO)O	3DT	3-methylthymidine
+C1=CN(C(=O)C=C1O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3DU	4-hydroxy-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-2(1h)-one
+c1cc(cc(c1)O)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N	3DV	4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid
+CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C(=O)O	3DW	3-[4-(4-methylpiperazin-1-yl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid
+CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C#N	3DX	3-[4-(4-methylpiperazin-1-yl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
+C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@H](O2)O)O)O	3DY	3,6-anhydro-beta-l-galactopyranose
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cccc(c2)CN)C(=O)O)O	3DZ	(2s)-2-[3-(aminomethyl)benzyl]-3-[(r)-[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid
+COc1c(cccc1F)c2csc(n2)N3CCOCC3	3E0	4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
+CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O	3E1	n,n'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide
+c1ccc2c(c1)C3=NNC(=S)N=C3N2CC(=O)O	3E2	(3-thioxo-2,3-dihydro-5h-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid
+Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)N)O	3E3	(2s,3s)-3-amino-n-(2,4-dimethylphenyl)-2-hydroxy-5-methylhexanamide
+Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC5CCC(CC5)N)NS(=O)(=O)c6ccccc6Cl	3E4	n-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide
+Cc1ccc(c(c1)C)NC(=O)[C@H]([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)O	3E5	n-[(benzyloxy)carbonyl]-l-leucyl-n-{(2s,3s)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-l-leucinamide
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O	3E6	rebaudioside a2
+CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)ccn3S(=O)(=O)c4cccc5c4cccc5	3E7	1-(naphthalen-1-ylsulfonyl)-n-[(1s)-1-phenylpropyl]-1h-indole-5-carboxamide
+CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)CN4C(=O)C=CC(=N4)c5cccc(c5)C#N	3E8	3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile
+C[C@@H](CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O	3E9	(3s,6e)-3,7,11-trimethyldodeca-6,10-dien-1-yl trihydrogen diphosphate
+CCCc1c(ccc2c1onc2C(F)(F)F)OCCCOc3ccc4c(c3)ccn4CC(=O)O	3EA	2-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]indol-1-yl}ethanoic acid
+c1cc(cc(c1)C(=O)O)CCC(=O)O	3EB	3-(2-carboxyethyl)benzoic acid
+c1cc(oc1CSCCN)C=O	3EC	5-{[(2-aminoethyl)sulfanyl]methyl}furan-2-carbaldehyde
+C[C@H]1[C@H](C2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(c4Cl)Cl)CO1)N	3ED	6-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3h)-one
+c1ccc(c(c1)C(=O)CC(=O)C(=O)O)N	3EE	4-(2-aminophenyl)-2,4-dioxobutanoic acid
+c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)P(=O)(C[C@@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O	3EF	n-{(2s)-3-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-tyrosine
+C([C@@H](C(=O)O)N)C(F)(F)F	3EG	(2s)-2-amino-4,4,4-trifluorobutanoic acid
+CCN(CC)CCCOC(=O)Nc1cccc(c1)CN2C(=O)SCC(=N2)c3ccc(c(c3)OC)OC	3EH	3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2h-1,3,4-thiadiazin-3(6h)-yl]methyl}phenyl)carbamate
+c1cc(cc(c1)F)CNC(=O)c2cc(ccn2)c3nnn(n3)Cc4ccc(cc4)C(=O)O	3EJ	4-[(5-{2-[(3-fluorobenzyl)carbamoyl]pyridin-4-yl}-2h-tetrazol-2-yl)methyl]benzoic acid
+Cc1cc(cc(n1)C(=O)NCc2ccc(cc2)F)c3ncn(n3)CC4CCC(CC4)C(=O)O	3EK	trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1h-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid
+c1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)Oc4c(cccn4)c5ccnc(n5)NC6CCC(CC6)N	3EL	n-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide
+CCN(CC)c1ccc2c(c1)OC(=O)C=C2COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C[C@@H]([C@H](Cc4ccccc4)NC(=O)OCc5cncs5)O	3EM	n~2~-({[7-(diethylamino)-2-oxo-2h-chromen-4-yl]methoxy}carbonyl)-n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)N	3EN	n-[(2s,4s,5s)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-l-valinamide
+CC(C)c1csc(n1)c2cc(c3ccc(cc3n2)OC)OC[C@@H]4C[C@@H]5N4C(=O)N[C@@]6(C[C@H]6/C=C\CCCCN(C5=O)C)C(=O)NS(=O)(=O)C7(CC7)C	3EO	(4r,6s,7z,15s,17s)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-n-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide
+CCP(CC)CC	3EP	triethylphosphane
+CCCC[N@@](c1cccc(c1C)c2ccc(cc2)SC)S(=O)(=O)c3ccc(c4c3cccc4)OCC(=O)O	3EQ	[(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid
+CS(=O)(=O)N[C@@H](c1cccc(c1)Cl)C(=O)O	3ER	(2s)-(3-chlorophenyl)[(methylsulfonyl)amino]ethanoic acid
+c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)[P@](=O)(C[C@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O	3ES	[(2s)-2-({3-[hydroxyl(2-phenyl-(1r)-1-{[(benzyloxy)[(2s)-2-({3-[hydroxyl(2-phenyl-(1r)-1-carbonyl]-amino}ethyl)phosphinyl]-2-[(3-phenylisoxazol-5-yl)methyl]-1-oxo-propyl}amino)-3-(4-hydroxy-phenyl)
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@@H](COC(=O)[C@@H](CO)N)N)C(=O)O	3ET	o-[(2r)-2-amino-3-(d-seryloxy)propanoyl]-n-[(2,3-dihydroxyphenyl)carbonyl]-l-serine
+c1c(cc(cc1Cl)Cl)CC(=O)O	3EU	(3,5-dichlorophenyl)acetic acid
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@@H](C3=C)O)O)C	3EV	(1s,3s,5z,7e,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
+Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO	3EW	5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-n-(2-hydroxyethoxy)-1-methyl-1h-benzimidazole-6-carboxamide
+c1cc(c(cc1C2CC2)F)Nc3c4cnccc4oc3C(=O)NOCCO	3EX	3-[(4-cyclopropyl-2-fluorophenyl)amino]-n-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
+c1cc(c(cc1C2CC2)F)Nc3c(ccn4c3cnc4)C(=O)NOCCO	3EY	8-[(4-cyclopropyl-2-fluorophenyl)amino]-n-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide
+c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCCN5)C6=NCCCN6	3EZ	n,n'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
+c1cc(c(c(c1)F)N)C(=O)O	3F0	2-azanyl-3-fluoranyl-benzoic acid
+Cc1ccc(cc1)S(=O)(=O)N=[S@](C)c2ccc(cc2)OCc3ccccc3	3F1	n-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide
+c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCN5)C6=NCCN6	3F2	n,n'-bis[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
+COc1cccc(c1)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5	3F3	4-[(2-{5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O	3F4	2-(4-hydroxyphenyl)-3h-quinazolin-4-one
+CNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCC(=O)N)O)O)N	3F5	5'-o-(2-amino-2-oxoethyl)-8-(methylamino)adenosine
+c1cc(ccc1c2cc3ccc(cc3[nH]2)C4=NCCCN4)c5cc6ccc(cc6[nH]5)C7=NCCCN7	3F6	2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1h-indole]
+c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O	3F7	1,1'-benzene-1,4-diylbis(1h-pyrrole-2,5-dione)
+C1=CC(=O)N(C1=O)CCOCCOCCN2C(=O)C=CC2=O	3F8	1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1h-pyrrole-2,5-dione)
+COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4	3F9	n-{[(3r)-1-(2,3-dihydro-1h-inden-2-yl)piperidin-3-yl]methyl}-n-(2-methoxyethyl)naphthalene-2-carboxamide
+c1cc(c(c(c1)F)O)O	3FA	3-fluorobenzene-1,2-diol
+c1ccc(cc1)C[C@@H](CC(=O)O)N	3FB	(3s)-3-amino-4-phenylbutanoic acid
+CCCC[C@@H](C(=O)C(=O)NN1CCOC1=O)NC(=O)O[C@H](Cc2nnc(o2)c3ccc(cc3)C(F)(F)F)C(C)(C)C	3FC	(1r)-2,2-dimethyl-1-({5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl)propyl (1s)-1-{oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetyl}pentylcarbamate
+c1cc(ccc1COC[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(c(ncn4)N)nc3NCc5ccc(c(c5)Cl)Cl)O)O)C#N	3FD	4-[[(2r,3s,4r,5r)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
+c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCOCC4)C#N	3FE	3-[4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
+c1cc2c(cc1Nc3ccc(cc3F)F)CCc4ccc(cc4C2=O)OC[C@@H](CO)O	3FF	2-[(2,4-difluorophenyl)amino]-7-{[(2r)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-one
+c1c(cc(cc1O)O)[C@@H](C(=O)O)N	3FG	(2s)-amino(3,5-dihydroxyphenyl)ethanoic acid
+C1=CN(C(=S)C(=C1)C(F)(F)F)O	3FH	1-hydroxy-3-(trifluoromethyl)pyridine-2(1h)-thione
+c1cc(cc(c1)C(=O)O)\C=N\OCCCNCC2=CC(=O)NC(=O)N2	3FI	3-{(e)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid
+CN(C)[C@H](c1cc(cc(c1)Cl)Cl)C(=O)O	3FK	(2r)-(3,5-dichlorophenyl)(dimethylamino)ethanoic acid
+c1cc(cc(c1)C(=O)O)CNCCCCNCC2=CC(=O)NC(=O)N2	3FL	3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)OC(=O)N)O)O	3FM	3-o-carbamoyl-alpha-d-mannopyranose
+CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccc(cc4F)F	3FN	6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+[H]/N=C\CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](c2cccc(c2)Cl)NS(=O)(=O)C	3FO	n-{(2s)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-l-phenylalanyl-n-[(2z)-2-iminoethyl]glycinamide
+CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3cc(ccc3F)C(F)(F)F)O	3FP	(2r)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
+CN(C)C[C@@H](COc1ccc(cc1)NC2=CC(N=CN2)(Nc3cc(ccc3F)C(F)(F)F)O)O	3FQ	(2s)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
+Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)N[C@@H](C)c5ccccc5	3FR	3'-chloro-5'-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide
+[H]/N=C\CNC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)Cc1cc(cc(c1)Cl)Cl	3FS	n-[(3,5-dichlorophenyl)acetyl]-l-threonyl-n-[(2z)-2-iminoethyl]glycinamide
+c1cc(cc(c1)OC(F)(F)F)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O	3FT	2-({[3-fluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopent-1-ene-1-carboxylic acid
+[H]/N=C\c1nccc(n1)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](c2cc(cc(c2)Cl)Cl)N(C)C	3FU	n~2~-[(2r)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-n-({2-[(z)-iminomethyl]pyrimidin-4-yl}methyl)-l-isoleucinamide
+c1ccnc(c1)c2c(c[nH]n2)NC(=O)c3c(cn(n3)C4CCNCC4)Cl	3FV	4-chloro-1-(piperidin-4-yl)-n-[3-(pyridin-2-yl)-1h-pyrazol-4-yl]-1h-pyrazole-3-carboxamide
+[H]/N=C\c1nccc(n1)CN	3FW	1-{2-[(z)-iminomethyl]pyrimidin-4-yl}methanamine
+C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O	3FX	(2r)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
+Cc1ccccc1C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)Br)S(=O)(=O)c4cn(cn4)C	3FY	n-(2-{(4-bromophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-n-(2-methylbenzyl)-1h-imidazole-4-sulfonamide
+[H]/N=C(\c1cccc(c1)C=O)/N	3FZ	3-formylbenzenecarboximidamide
+C(#N)[Pt-2](C#N)(C#N)C#N	3G0	tetracyanoplatinate(ii)
+c1ccc(cc1)C[S@](=O)c2ccccc2C(=O)O	3G1	2-[(s)-benzylsulfinyl]benzoic acid
+c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3	3G3	2-[2-(1h-tetrazol-5-yl)ethyl]-1h-isoindole-1,3(2h)-dione
+CCN(CC)C(=O)Cc1cccc(n1)NS(=O)(=O)c2cccc(c2C)Cl	3G4	2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-n,n-diethylacetamide
+c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Br)Br)O)C(=O)O	3G5	4-(6,8-dibromo-3-hydroxy-4-oxo-4h-chromen-2-yl)benzoic acid
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)O	3G6	(2s)-2-[(8s,9s,10r,13s,14s,17r)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name)
+CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O	3G7	(3r)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-n-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)c3cccs3	3G8	7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2h-chromen-2-one
+CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(c3)Cl	3G9	1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone
+[H]/N=C(\N)/N1CCC[C@H](C1)C[C@@H](C=O)N	3GA	(3s)-3-[(2s)-2-amino-3-oxopropyl]piperidine-1-carboximidamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	3GB	n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->4)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
+C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N	3GC	gamma-glutamylcysteine
+CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	3GD	n-[(2s,3r,4e)-1-{[4-o-(beta-d-galactopyranosyl)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide
+CC(C)([C@H](C(=O)O)NCC(CO)CO)[S](=O)=O	3GE	(2s)-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-2-[[2-(hydroxymethyl)-3-oxidanyl-propyl]amino]-3-methyl-butanoic acid
+CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5	3GF	6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
+c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3[nH]nnn3	3GG	1-phenyl-3-[4-(1h-tetrazol-5-yl)phenyl]urea
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O)[C@@H](CCCCCCCCCCCCCCC)O	3GH	n-{(2s,3r)-1-[(3-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
+CCc1cc(on1)COc2cc(ccc2OC)C(=O)Nc3c(cncc3Cl)Cl	3GJ	n-(3,5-dichloropyridin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methoxy]-4-methoxybenzamide
+c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4	3GK	n-[3-(2h-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1h-benzimidazole-4-carboxamide
+C([C@@H](C(=O)O)N)[C@@H](C(=O)O)O	3GL	(2s,4s)-2-amino-4-hydroxy-pentanedioic acid
+c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCN	3GM	(2s)-6-[[(1r,2s)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+C[C@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N	3GN	2-[(2s)-2-methylpyrrolidin-2-yl]-1h-benzimidazole-7-carboxamide
+c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)COCc6ccc(cc6)C#N)O)O)N	3GO	4-[[(2r,3s,4r,5r)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri le
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N	3GP	guanosine-3'-monophosphate
+c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O	3GQ	benzene-1,2,3-tricarboxylic acid
+C([C@H](C=O)O)O	3GR	d-glyceraldehyde
+COC(=O)c1c2n(c(c1C(=O)OC)c3cccc(c3)F)C[S@](=O)C2	3GS	dimethyl (2r)-5-(3-fluorophenyl)-1h-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)C)C)\C)OC)(NC(=O)O2)O	3GT	(3beta,4beta,5beta,10beta,11e,13e)-maytansine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC4CCCC4	3GU	n6-cyclopentyladenosine
+c1ccc(c(c1)N2C[C@H](CC2=O)C(=O)O)O	3GV	(3s)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)c4ccc(s4)C=O)O)O)CO)O)O	3GW	5-(5-formylthiophen-2-yl)uridine-5'(2-(acetylamino)-2-deoxy-alpha-d-galactosyl)-diphosphate
+CN1CCCC2=C1C=C(NC2=O)c3ccccc3	3GX	1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1h)-one
+CC[C@@H](C)c1ccccc1	3GY	(2r)-butan-2-ylbenzene
+CCCCCCc1ccccc1	3GZ	hexylbenzene
+CCCc1ccccc1	3H0	propylbenzene
+Cc1c(c(c(c(c1Cl)O)C\C=C(/C)\C=C\[C@]2([C@@H](CCC(=O)[C@@H]2C)C)C)O)C=O	3H1	3-chloro-4,6-dihydroxy-2-methyl-5-{(2e,4e)-3-methyl-5-[(1r,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde
+CCCCCc1ccccc1	3H2	pentylbenzene
+C[C@H]1/C=C/C=C\CC/C=C/C(=O)O[C@H]1/C(=C/[C@H](C)C(=O)C[C@@H](CC2CC(=O)NC(=O)C2)O)/C	3H3	4-{(2r,5s,6e)-2-hydroxy-5-methyl-7-[(2r,3s,4e,6z,10e)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-en-1-yl}piperidine-2,6-dione
+C/C=C\C[C@@H](C/C=C\NC(=O)[C@H](C(C)(C)C)NC(=O)/C=C\C=C/C(=C/[C@H](C)[C@@H]1CC=C(C(=O)O1)OC)/C)OC(=O)N	3H4	(1z,4s,6z)-1-[(n-{(2z,4z,6e,8s)-8-[(2s)-5-methoxy-6-oxo-3,6-dihydro-2h-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy l-l-valyl)amino]octa-1,6-dien-4-yl carbamate
+Cc1c(cn(n1)C)C(=O)Nc2[nH]c3ccccc3n2	3H5	n-(1h-benzimidazol-2-yl)-1,3-dimethyl-1h-pyrazole-4-carboxamide
+c1ccc2c(c1)[nH]c(n2)NC(=O)c3c[nH]nc3c4ccc(cc4)F	3H6	n-(1h-benzimidazol-2-yl)-3-(4-fluorophenyl)-1h-pyrazole-4-carboxamide
+c1c(cc2c(c1F)nc(s2)N)F	3H7	4,6-difluoro-1,3-benzothiazol-2-amine
+Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl	3H8	3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide
+CCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O	3H9	(s)-3-hydroxyhexanoyl-coa
+c1cc(c(c(c1)O)N)C(=O)O	3HA	3-hydroxyanthranilic acid
+c1cc(cc(c1)O)C(=O)O	3HB	3-hydroxybenzoic acid
+CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	3HC	3-hydroxybutanoyl-coenzyme a
+CO[C@@H]1[C@@H](CO[C@@H]([C@H]1O)CO)O	3HD	1,5-anhydro-3-o-methyl-d-mannitol
+C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C	3HE	4-{(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione
+CCCCN(CCCC)C(=O)n1cc(c2c1cccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O	3HF	n~3~-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~,n~1~-dibutyl-1h-indole-1,3-dicarboxamide
+C(C(CC(=O)O)O)C(=O)O	3HG	3-hydroxypentanedioic acid
+CCCCN(C)C(=O)n1cc(c2c1ccc(c2)C#N)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H](CNCc4cccc(c4)OC)O	3HH	n~1~-butyl-5-cyano-n~3~-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~-methyl-1h-indole-1,3-dicarboxamide
+CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O	3HI	(3r,5r)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1h-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
+Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4	3HJ	n-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-1-yl}benzamide
+COc1cc-2c(cc1OCCCN3CCOCC3)Cc4c2[nH]nc4c5ccc(cc5)C#N	3HK	4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile
+C[C@@H](CC(=O)O)O	3HL	(3s)-3-hydroxybutanoic acid
+Cc1c(cc(cn1)C(=O)O)O	3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid
+Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccc(cc4)F	3HN	3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide
+CCCCC[C@@H](CC(=O)O)O	3HO	(3s)-3-hydroxyoctanoic acid
+c1cc(cc(c1)O)CC(=O)O	3HP	3-hydroxyphenylacetate
+Cc1ccc(cc1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4ccnc(c4)C	3HQ	3-(4-{[(4-methylphenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(2-methylpyridin-4-yl)benzamide
+C[C@H](CC(=O)O)O	3HR	(3r)-3-hydroxybutanoic acid
+c1cc(ccc1CNC(=O)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	3HS	5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+COc1ccc(cc1)n2cnc3c2cc(cc3)C4=NNC(=S)O4	3HT	5-[1-(4-methoxyphenyl)-1h-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3h)-thione
+c1csc(c1CN2C(=O)c3cscc3N(C2=O)C[C@@H](C(=O)O)N)C(=O)O	3HU	(s)-1-(2'-amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione
+c1cc(ccc1CN2CCc3cc(ccc3C2=S)c4ccc(o4)C(=O)O)c5cc(nn5c6ccc(c(c6)Cl)Cl)C(=O)O	3HV	5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1h)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+c1cc(ccc1CNC(=S)c2ccc(cc2)c3cc(nn3c4ccc(c(c4)Cl)Cl)C(=O)O)c5ccc(o5)C(=O)O	3HW	5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]carbamothioyl}phenyl)-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+[H]/N=C(/NCCC[C@@H](CN(CCN)O)N)\N[N+](=O)[O-]	3HX	(4s)-n-{4-amino-5-[(2-aminoethyl)(hydroxyamino]-pentyl}-n'-nitroguanidine
+c1cc(cc(c1)O)CO	3HY	3-(hydroxymethyl)phenol
+CC(=O)N(Cc1ccc(cc1)c2ccc(o2)C(=O)O)Cc3ccc(cc3)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	3HZ	5-[4-({acetyl[4-(5-carboxyfuran-2-yl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+c1c2cc(cc(c2c(cc1S(=O)(=O)O)N)O)S(=O)(=O)O	3I0	4-amino-5-hydroxynaphthalene-2,7-disulfonic acid
+CS(=O)(=O)c1cccc2c1[nH]cc2c3c(cnc(n3)N[C@H]4CCCNC4)C(F)(F)F	3I3	4-[7-(methanesulfonyl)-1h-indol-3-yl]-n-[(3s)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
+C[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br	3I6	4-((5-bromo-4-(prop-2-yn-1-ylamino)pyrimidin-2-yl)amino)benzenesulfonamide
+c1ccc(cc1)NC(=O)c2ccc(cc2OCCC[NH3+])c3c[nH]nc3	3I7	3-[2-(phenylcarbamoyl)-5-(1h-pyrazol-4-yl)phenoxy]propan-1-aminium
+c1ccc2c(c1)c(c[nH]2)CCCC(=O)O	3IB	3-indolebutyric acid
+c1c[nH]c2c1cc(c(c2)O)O	3ID	3h-indole-5,6-diol
+C[C@@H](COC)N	3IE	(2~{s})-1-methoxypropan-2-amine
+CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CC5	3IF	n-[(3s)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4h-1,2,4-triazole-3-carboxamide
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCNC(=O)C	3IG	n-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl]ethyl}acetamide
+Cc1cc(no1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=CC(=O)OCc3ccccc3	3IH	n-[(5-methylisoxazol-3-yl)carbonyl]alanyl-l-valyl-n~1~-((1r,2z)-4-(benzyloxy)-4-oxo-1-{[(3r)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide
+COc1ccc(c(c1)OC)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCCc5ccc(cc5Cl)Cl	3II	n-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide
+C[C@H](CO[C@H](C)CO[C@@H](C)CO[C@@H](C)COCCOC)N	3IK	(2~{r})-1-[(2~{r})-1-[(2~{s})-1-[(2~{s})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-amine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)O	3IL	3-(indol-3-yl) lactate
+C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)c4cnc(c(n4)Cl)N5CCN(CC5)C)O)O	3IN	n-[2(s)-cyclopentyl-1(r)-hydroxy-3(r)methyl]-5-[(2(s)-tertiary-butylamino-carbonyl)-4-(n1-(2)-(n-methylpiperazinyl)-3-chloro-pyrazinyl-5-carbonyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethyl-pentanamide
+c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O	3IO	3-(1h-indol-3-yl)-2-oxopropanoic acid
+c1ccc(cc1)COc2cccnc2N	3IP	3-(benzyloxy)pyridin-2-amine
+c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Nc3nccs3	3IR	(1~{r},2~{r})-2-phenyl-~{n}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
+c1cc2c(cc1Cl)CC(=O)N2	3IS	5-chloranyl-1,3-dihydroindol-2-one
+CC(=C)C1=C(C(=O)C=CC=C1)O	3IT	2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one
+CN1c2cc(ccc2OC[C@@H](C1=O)NC(=O)c3[nH]c(nn3)Cc4ccccc4)C#CC5CCOCC5	3IU	n-[(3s)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4h-1,2,4-triazole-3-carboxamide
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	3IX	s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenethioate
+C[C@H](CO[C@H](C)CO[C@H](C)COCCOC)N	3IZ	(2~{r})-1-[(2~{r})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
+c1cc(ccc1CNC(=S)c2ccc(cc2)c3ccc(o3)C(=O)O)c4cc(nn4c5ccc(c(c5)Cl)Cl)C(=O)O	3J0	5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1h-pyrazole-3-carboxylic acid
+Cn1cc(cn1)c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO	3J1	8-(hydroxymethyl)-2-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]quinazolin-4(3h)-one
+CC(C)C1=C2[C@H]([C@@H]3[C@H]4[C@]([C@H]([C@@H]5[C@H]([C@@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O	3J2	nagilactone c
+C1CN(CCC1OS(=O)(=O)N)S(=O)(=O)[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	3J3	(1r)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-d-galactitol
+C1CN(C[C@@H]1OS(=O)(=O)N)S(=O)(=O)[C@H]2[C@H]([C@H]([C@@H](C(O2)CO)O)O)O	3J4	(6s)-2,6-anhydro-6-{[(3r)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-d-glucitol
+Cc1cc(ncc1c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO)N5CCN([C@H](C5)C)C	3J5	2-(4-{6-[(3s)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3h)-one
+CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO	3J6	(3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
+CC(C)(CNc1c2ccncc2nc(n1)c3ccc4c(c3)cn[nH]4)N	3J7	n~1~-[2-(1h-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine
+CN1c2ccccc2N=C3C1=CC=CC3=O	3J8	5-methylphenazin-1(5h)-one
+C[C@]12CCCO[C@@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F	3J9	(4r,4a's,10a'r)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine
+Cn1cc(cn1)c2c[nH]c3c2c(ncn3)N4CCOCC4	3JA	5-(1-methyl-1h-pyrazol-4-yl)-4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidine
+Cc1nc(no1)[C@H]2CN(CCO2)c3c4c(c[nH]c4ncn3)c5cccc(c5)C#N	3JB	3-{4-[(2r)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
+Cc1c2c(nc(n1)N)C[C@@H](CC2=O)c3ccccc3	3JC	(7s)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6h)-one
+c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)[C@@H]4CCCNC4	3JD	2-{4-[(3s)-piperidin-3-yl]phenyl}-2h-indazole-7-carboxamide
+c1ccc(cc1)C#C[P+](c2ccccc2)(c3ccccc3)c4ccccc4	3JE	triphenyl(phenylethynyl)phosphonium
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O	3JF	n-acetyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O	3JG	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(1,3-oxazol-5-yl)benzyl]-l-prolinamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)O	3JH	n-acetyl-l-leucyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+c1ccc(cc1)CCCC(=O)NC2=C(C=C[N](=C2)O)C(=O)O	3JI	3-(4-phenylbutanamido)pyridine-4-carboxylic acid
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)C)O	3JJ	n-acetyl-3-methyl-l-valyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+Cc1c(ocn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O	3JK	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-l-prolinamide
+c1cc(c(c(c1)C(=O)O)C(=O)O)CCCC(=O)O	3JL	3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid
+c1cc(c(c(c1)C(=O)O)C(=O)O)CCC(=O)O	3JM	3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid
+c1cc(c(c(c1)C(=O)O)C(=O)O)/C=C/CC(=O)O	3JN	3-[(1e)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)C)O	3JO	n-acetyl-l-phenylalanyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CCOc4ccc(c(c4)OC)OC	3JP	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one
+COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@H](CO)O	3JQ	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1r)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
+COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@@H](CO)O	3JR	(1s,5s,6r)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1s)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H]4C[C@H](CN4C(=O)C)O)O	3JS	(4r)-1-acetyl-4-hydroxy-l-prolyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cncs3)O	3JT	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(1,3-thiazol-5-yl)benzyl]-l-prolinamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O	3JU	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+Cc1cc(ccc1c2cncs2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O	3JV	(4r)-1-(3,3-dimethylbutanoyl)-4-hydroxy-n-[3-methyl-4-(1,3-thiazol-5-yl)benzyl]-l-prolinamide
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3	3JW	baricitinib
+Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C	3JX	4'-[(2,3-dimethyl-5-{[(1s)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](C2)O[C@@H](C(=O)OC)P(=O)(O)O	3JY	[(1r)-2-methoxy-1-{[(1s,3r)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}-2-oxoethyl]phosphonic acid
+CN(c1ccccc1CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C	3JZ	n-methyl-n-{2-[({2-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide
+C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N	3K0	n-sulfamoyl-l-glutamic acid
+c1cc(ccc1c2[nH]nnn2)C3=NC=C(C(=O)N3)O	3K1	5-hydroxy-2-[4-(1h-tetrazol-5-yl)phenyl]pyrimidin-4(3h)-one
+Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C	3K2	4'-[(2,3-dimethyl-5-{[(1r)-1-(4-nitrophenyl)ethyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid
+c1cc2c(cc1C(F)(F)F)nc([nH]2)[C@H]3[C@H]4[C@@H]3Oc5c4cc(cc5)Oc6ccnc7c6CCC(=O)N7	3K3	5-({(1r,1as,6br)-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]-1a,6b-dihydro-1h-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1h)-one
+C[C@H]1[C@H](N1)C(=O)O	3K4	(2s,3s)-3-methylaziridine-2-carboxylic acid
+C[C@@H]1CO[C@]2(C[C@@H]1OC(=O)/C=C/c3ccccc3)[C@]4(CO4)[C@@H]5CC[C@@H](C[C@@H]5O2)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)OC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)OC(=O)C)O	3K5	3-o-acetyl-2-o-(3-o-acetyl-6-deoxy-beta-d-glucopyranosyl)-6-deoxy-1-o-{[(2r,2's,3a'r,4''s,5''r,6's,7a's)-5''-methyl-4''-{[(2e)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-d-glucopyranose
+C[C@@H]1Cn2c(c(cn2)c3ccc(cc3)S(=O)(=O)N(C)C)CN1c4ccnc5c4cc[nH]5	3K6	n,n-dimethyl-4-[(6r)-6-methyl-5-(1h-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
+Cc1c(n2c(n1)c(cc(n2)Cl)N)c3ccc(c(c3)OC)OC	3K7	6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
+COc1ccc2c(c1)c3cc(c(cc3c4c2CN5CCCC[C@@H]5C4)OC)OC	3K8	(14ar)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9h-dibenzo[f,h]pyrido[1,2-b]isoquinoline
+COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5	3K9	1-[2-fluoro-4-(1h-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	3KA	1-(2-deoxy-5-o-phosphono-beta-l-erythro-pentofuranosyl)pyrimidine-2,4(1h,3h)-dione
+COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4cccc(c4)C(F)(F)F	3KB	5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1h)-one
+c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(=N2)c5ccc(cc5Cl)O	3KC	3-chloro-4-(4h-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol
+c1c2c(cc3c1OCO3)[C@@H]4[C@@H]([C@H](C=C5[C@H]4N(C2)CC5)O)O	3KD	(1s,2s,12bs,12cs)-2,4,5,7,12b,12c-hexahydro-1h-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol
+COc1ccc(cc1)Cn2nc(nn2)c3cccc(c3)C(=O)NCc4ccc(cc4)C(=O)O	3KE	4-{[({3-[2-(4-methoxybenzyl)-2h-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid
+c1c2c(c(c3c1OCO3)O)C(=O)N[C@@H]4C2=C[C@@H]([C@H]([C@H]4O)O)O	3KF	(2s,3r,4s,4ar)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one
+c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)C(F)(F)F	3KG	3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1h)-one
+c1cc2c(cc1c3nnc(s3)N)[nH]nn2	3KH	5-(1h-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)O	3KJ	n~5~-(n-hydroxy-n-methylcarbamimidoyl)-l-ornithine
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(C)(C)O)O	3KK	s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C	3KL	(5beta,9beta)-3-oxocholan-24-oic acid
+[H]/N=C(\c1cccc(c1)OC[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3ccc4ccccc4c3)/N	3KM	3-({(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide
+c1cncc(c1N)c2nnc(s2)N	3KN	3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCN(C3)C(=O)CC4CCCC4	3KO	(2e,5r)-5-(2-cyclohexylethyl)-5-{[(3r)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one
+C(C(CCl)Cl)Cl	3KP	1,2,3-trichloropropane
+COc1ccc(c(c1OC)OCC(=O)NCc2ccccc2)C(=O)Cc3c(cncc3Cl)Cl	3KQ	n-benzyl-2-{6-[(3,5-dichloropyridin-4-yl)acetyl]-2,3-dimethoxyphenoxy}acetamide
+COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F	3KR	1-(2-methoxyethyl)-n-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)NC(=O)C	3KS	n-acetyl-l-alanyl-n-[(1s,5r)-5-amino-1,5-dicarboxypentyl]-d-glutamine
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC4CCCC4	3KT	(2e,5r)-5-(2-cyclohexylethyl)-5-{[(1s,3r)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)c4ccncc4	3KU	n-[(1r,3s)-3-{[(2e,4r)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	3KV	retinoic acid
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)Nc4ccc5ccccc5n4	3KW	(2e,5r)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1s,3r)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one
+c1ccc(cc1)C2=C(C=C(NC2=O)CC3CCCCC3)O	3KX	6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1h)-one
+CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O)C	3KY	6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1h)-one
+C[C@@H]1CN(CC[C@@H]1c2cc3c(cc2c4ccccc4F)OCC5=NNC(=O)[C@H](N35)C)C	3KZ	(1r)-9-[(3s,4s)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
+C[C@@H]1C(=O)NN=C2N1c3cc(c(cc3OC2)c4ccccc4)N(C)C5(CN(C5)C)C	3L0	(1r)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)CO)O)N	3L1	(2s,3r,5s)-5-(6-amino-9h-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol
+C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4	3L2	(4s,5r,10e,12z,16r,16as,17s,18r,19ar,23ar)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3h,18h,19ah-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione
+C(CN(CCO/C=C/P(=O)(O)O)/C=C/P(=O)(O)O)n1c2c(nc1Br)C(=O)NC(=N2)N	3L3	[(e)-2-(2-{[2-(2-amino-8-bromo-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl][(e)-2-phosphonoethenyl]amino}ethoxy)ethenyl]phosphonic acid
+c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N	3L4	[(2-{[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl][(e)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid
+c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N	3L5	(2-{[2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid
+c1nc2c(n1CCN(CCCN)CCP(=O)(O)O)N=C(NC2=O)N	3L6	(2-{[2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid
+c1nc2c(n1CCN(CCO/C=C/P(=O)(O)O)CCP(=O)(O)O)N=CNC2=O	3L7	(2-{[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](2-{[(e)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid
+c1nc2c(n1CCN(CCOCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O	3L8	[(2-{[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)Oc3c(cc(cc3O)C4=C(C(=O)c5c(cc(cc5O4)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)/C=C/c8ccc(c(c8)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O	3L9	montbretin a
+CCCCCCCCCC(=O)CC(=O)O	3LA	3-oxododecanoic acid
+CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)N[C@H](C=O)[C@@H](CC=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=CC(=O)C(C=N3)O)CCCS(=O)(=O)C	3LB	(3r,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5r)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@H](C=C)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C	3LC	(3s,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
+c1ccc(cc1)CCC2=CC(=O)C(=NN2)O	3LD	3-hydroxy-6-(2-phenylethyl)pyridazin-4(1h)-one
+C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)C3=NC=C(C(=O)C3)O)CCCS(=O)(=O)C	3LE	(3s,4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
+COc1cc(cc(c1OC)OC)CCC(=O)O	3LF	3-(3,4,5-trimethoxyphenyl)propanoic acid
+COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5c(c4)ccn5CC(=O)O	3LG	(5-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetic acid
+CCC(=O)Nc1cc(ccc1C)N2c3c4cc(ccc4ncc3C=CC2=O)c5c[nH]nc5	3LH	n-{2-methyl-5-[2-oxo-9-(1h-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2h)-yl]phenyl}propanamide
+Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NCC(=O)NO)C(=O)NC	3LI	(4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OS(=O)(=O)O	3LJ	2-amino-2-deoxy-6-o-sulfo-alpha-d-glucopyranose
+CC[C@@]1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CS[C@H]4CCCN(C4)C(=O)[C@H](C(C)C)N)C	3LK	bc-3205
+CC1(COC1)C#Cc2cc3c(nc2)Oc4ccc(cc4[C@@]35COC(=N5)N)c6cccnc6F	3LL	(5s)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CSC)/C(=O)O)O	3LM	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-(methylsulfanyl)but-2-enoic acid
+CC(C)(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5	3LN	(4s)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine
+c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(cc(c5O3)F)C6=CCOCC6	3LO	(4s)-2'-(3,6-dihydro-2h-pyran-4-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine
+Cc1ccc2c(c1)c3c(n2C[C@H](CNC4CCCCC4)O)CCCC3	3LP	1-(cyclohexylamino)-3-(6-methyl-3,4-dihydro-1h-carbazol-9(2h)-yl)propan-2-ol
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccc4c3ccc(c4)C#N	3LQ	5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile
+C[C@@H]([C@@H](C[C@H](C(=O)O)O)O)O	3LR	3,6-dideoxy-l-arabino-hexonic acid
+c1cc(sc1c2c(cc(s2)c3ccc(s3)C(=O)O)CC(=O)O)c4c(cc(s4)c5ccc(s5)C(=O)O)CC(=O)O	3LS	3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid
+C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	3LT	(4r)-4-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid
+c1ccc(cc1)[C@H](C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O)S(=O)(=O)O	3LU	1-({(2r)-4-carboxy-2-[(r)-carboxy{[(2r)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2h-1,3-thiazin-5-yl}methyl)pyr idinium
+CCCN(CCC)Cc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O	3LV	4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(dipropylamino)methyl]benzoic acid
+c1cc(sc1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br	3LW	(3s,5s,7s)-n-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium
+CCCCCCCCCCCCC=S	3LX	tridecanethial
+CCc1c(cccn1)Oc2cc(cnc2NC(=O)NC)Sc3ccccn3	3LZ	1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea
+Cc1cccc(c1N)C(=O)O	3M0	2-azanyl-3-methyl-benzoic acid
+c1ccc(c(c1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F	3M1	(3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone
+CN1/C(=C\c2cc(c(c(c2)Br)O)Br)/C(=O)N=C1N	3M2	(5z)-2-amino-5-(3,5-dibromo-4-hydroxybenzylidene)-1-methyl-1,5-dihydro-4h-imidazol-4-one
+Cc1c(c(n[nH]1)C)CCCOc2ccccc2F	3M3	4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1h-pyrazole
+CCOc1ccccc1c2nc(no2)c3ccncc3	3M4	4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
+CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O	3M5	3-oxo-n-[(3s)-2-oxotetrahydrofuran-3-yl]decanamide
+C[C@@H]1CN(C(=O)c2cccc(c2O[C@@H]1CN(C)C(=O)Nc3ccc(cc3)C(F)(F)F)NS(=O)(=O)c4ccc(cc4)F)[C@@H](C)C(=O)O	3M6	(2s)-2-[(2s,3r)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-5(6h)-yl]propanoic acid
+CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c5cc(ccc5c(cn4)OC)Cl)C(=O)NS(C6CC6)(O)O	3M7	tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-{[cyclopropyl(dihydroxy)-lambda~4~-sulfanyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+c1c(cc(c(c1F)C#N)SCCS(=O)(=O)O)O	3M8	2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid
+c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3c(cnn3)CNC(=O)c4ccc(cc4)F	3M9	4-fluoro-n-({1-[(2r)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1h-1,2,3-triazol-5-yl}methyl)benzamide
+C[n+]1cnc(c2c1[nH]cn2)N	3MA	6-amino-3-methylpurine
+COc1cccc(c1)C(=O)N	3MB	3-methoxybenzamide
+C[N+]1=C(C=CNC1=O)N	3MC	3-methylcytosine
+C[C@@H]([C@@H](C(=O)O)N)C(=O)O	3MD	2s,3s-3-methylaspartic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCCN(C)C	3ME	2'-o-{2-[2-(dimethylamino)ethoxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate)
+CO[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO	3MF	3-o-methylfructose in linear form
+CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O	3MG	3-o-methyl-beta-d-glucopyranose
+CC1=CC=CN(C1=S)O	3MH	1-hydroxy-3-methylpyridine-2(1h)-thione
+c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl	3MI	2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
+CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O	3MJ	1-(3,4,5-trihydroxyphenyl)dodecan-1-one
+C([C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	3MK	beta-l-altropyranose
+CC1=CC(=O)O[C@H]1CC(=O)O	3ML	[(2s)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
+C[N+](C)(C)[C@H](CCSC)C(=O)O	3MM	(1r)-1-carboxy-n,n,n-trimethyl-3-(methylsulfanyl)propan-1-aminium
+C[C@]1(C(=O)N(C(=O)N1Cc2cccc(c2)C#N)CCCn3ccnc3)c4cccc5c4cccc5	3MN	3-({3-[3-(1h-imidazol-1-yl)propyl]-5-methyl-5-(1-naphthyl)-2,4-dioxoimidazolidin-1-yl}methyl)benzonitrile
+CN1CCOC1=O	3MO	3-methyl-1,3-oxazolidin-2-one
+Cc1cccnc1	3MP	3-methylpyridine
+c1cc(sc1)c2cc(no2)CO	3MQ	(5-thiophen-2-ylisoxazol-3-yl)methanol
+CN(C1CCCCC1)C(=O)CC[C@@H](C2CCCCC2)N3Cc4cc(ccc4N=C3N)Oc5ccccc5	3MR	(4s)-4-(2-amino-6-phenoxyquinazolin-3(4h)-yl)-n,4-dicyclohexyl-n-methylbutanamide
+CC(C)CCN1C(=O)C(=C(c2n1ccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C	3MS	n-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide
+C[n+]1ccsc1	3MT	3-methylthiazolium ion
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3MU	3-methyluridine 5'-(dihydrogen phosphate)
+CC[C@@H](C)C[C@@H](CC)C(C)C	3MV	(3r,5r)-3-ethyl-2,5-dimethylheptane
+c1cnn(c1)c2ccc(cc2)[C@H](C(=O)NO)NC(=O)c3ccc(cc3)N	3MW	4-amino-n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}benzamide
+CCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O	3MX	1-(3,4,5-trihydroxyphenyl)decan-1-one
+c1cc(c(cc1C[C@H](C(=O)O)N)Cl)O	3MY	3-chloro-d-tyrosine
+CCCCCCCCC(=O)c1ccc(c(c1O)O)O	3MZ	1-(2,3,4-trihydroxyphenyl)nonan-1-one
+CCCCCC(=O)c1cc(c(c(c1)O)O)O	3N0	1-(3,4,5-trihydroxyphenyl)hexan-1-one
+Cc1c2cc(ccc2sc1CC(=O)O)Cl	3N1	(5-chloro-3-methyl-1-benzothiophen-2-yl)acetic acid
+c1cc2c(cc1Cl)c(cs2)CC(=O)O	3N2	(5-chloro-1-benzothiophen-3-yl)acetic acid
+c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2C(=O)O	3N3	(2s)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid
+c1ccc2c(c1)ccc3c2c(cs3)CC(=O)O	3N4	naphtho[2,1-b]thiophen-1-ylacetic acid
+c1ccc(cc1)COC(=O)N2c3ccccc3C[C@@H]2C(=O)O	3N5	(2r)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid
+c1ccc2c(c1)CN(C(=O)N2)C3CCN(CC3)C(=O)N[C@H](Cc4cc(c(c(c4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)c6ccncc6	3N6	n-{(1s)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2h)-yl)piperidin-1-yl]carbonyl}-d-tyrosinamide
+Cc1cc(nc(n1)Nc2ccc3c(c2)cn[nH]3)Nc4cc([nH]n4)C5CC5	3N7	n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-n~2~-1h-indazol-5-yl-6-methylpyrimidine-2,4-diamine
+c1cc(c(cc1F)O)O	3N8	4-fluorobenzene-1,2-diol
+C1=CC(=O)[C@@](C=C1F)(O)OO	3N9	(6s)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one
+c1ccc2c(c1)c(cn2CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F	3NA	{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1h-indol-1-yl}acetic acid
+CCCCCCCC(=O)c1cc(c(c(c1)O)O)O	3NB	1-(3,4,5-trihydroxyphenyl)octan-1-one
+c1c2c(cc(c1NC(=O)C3CCC(CC3)N)Cl)C(=O)NC=C2	3NC	cis-4-amino-n-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide
+c1cc(ccc1[C@@H]2CNC[C@H]2C(=O)Nc3cc4c(cc3Cl)C(=O)N=CC4)Cl	3ND	(3s,4r)-n-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
+c1cc(cc(c1)C(F)(F)F)c2c3c([nH]n2)NC(=O)C=C3C(F)(F)F	3NE	4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
+CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O	3NF	n-acetyl-l-tyrosine
+c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O	3NG	5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
+c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(CN2)[C@H]3c4ccccc4C[C@H]3OC(N)O)Cc5ccccc5)O)NC(=O)OC6CCOC6	3NH	(3s)-tetrahydrofuran-3-yl (1r,2s)-3-[4-((1r)-2-{[(s)-amino(hydroxy)methyl]oxy}-2,3-dihydro-1h-inden-1-yl)-2-benzyl-3-oxopyrrolidin-2-yl]-1-benzyl-2-hydroxypropylcarbamate
+[Ni+3]	3NI	nickel (iii) ion
+C1=CC(=O)OC(=O)C=C1F	3NJ	4-fluorooxepine-2,7-dione
+CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC	3NK	1-(6-methoxynaphthalen-2-yl)butane-1,3-dione
+c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cnn(c4)[C@H]5CCNC5)Cl	3NL	3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-{1-[(3s)-pyrrolidin-3-yl]-1h-pyrazol-4-yl}benzamide
+Cc1c(sc(n1)C(=O)O)CCOP(=O)(O)O	3NM	4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid
+C(C[N+](=O)[O-])C(=O)O	3NP	3-nitropropanoic acid
+C[C@]12CC[C@@H](C[C@@H]1/C(=N/O)/C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O	3NQ	6-oxime-17-(3-pyridyl)-androst-16-en-3-ol
+C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C#N)O	3NR	6-cyano-17-(3-pyridyl)-androst-5,16-dien-3-ol
+Cc1nc2ccccc2n1CCNC(=O)C[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)CO	3NS	(3s)-4-hydroxy-3-{[(2s)-4-{[2-(2-methyl-1h-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid
+Cc1cccc(c1)[N+](=O)[O-]	3NT	3-nitrotoluene
+CC(C)c1c(c[nH]n1)c2ccnc(n2)NC3CCN(CC3)C	3NU	4-[3-(1-methylethyl)-1h-pyrazol-4-yl]-n-(1-methylpiperidin-4-yl)pyrimidin-2-amine
+CC(C)c1c(c([nH]n1)Cl)c2ccnc(n2)Nc3ccc(cn3)N4CCNCC4	3NV	4-[5-chloro-3-(1-methylethyl)-1h-pyrazol-4-yl]-n-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine
+CCNC(=O)NCc1ccccc1c2cc(nc(n2)NCCN(C)C)c3cnc(s3)NC(C)C	3NW	1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea
+C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C(=O)N)O	3NX	3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide
+c1cc2c(cc1[N+](=O)[O-])nn[nH]2	3NY	5-nitro-1h-benzotriazole
+COc1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N	3NZ	3'-deoxy-3'-[(o-methyl-l-tyrosyl)amino]adenosine
+c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)Cl)N	3O0	{4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone
+CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(=O)(=O)N	3O1	tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate
+COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c2ccc(cc2)OCCCn3nc(nn3)c4ccc(cc4)OC(F)(F)F	3O2	n-hydroxy-1-(2-methoxyethyl)-4-{[4-(3-{5-[4-(trifluoromethoxy)phenyl]-2h-tetrazol-2-yl}propoxy)phenyl]sulfonyl}piperidine-4-carboxamide
+C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N	3O3	n-[(3s)-3-amino-3-carboxypropyl]-l-glutamic acid
+CC(=O)Nc1ccc(cc1)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4	3O4	n-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide
+c1cc(ccc1OCCCCN)S(=O)(=O)N	3O5	4-(4-sulfamoyl-phenoxy)-butylammonium
+Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)F)NC(=O)Nc3ccc(cc3)F	3O6	1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]urea
+c1cc(c2c(c1O)C(=O)c3c(ccc(c3C2=O)O)O)O	3O7	1,4,5,8-tetrahydroxyanthracene-9,10-dione
+c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO	3O8	1-amino-5,8-dihydroxy-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione
+c1cc(c2c(c1NCCOCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCOCCO	3OA	1,4-dihydroxy-5,8-bis{[2-(2-hydroxyethoxy)ethyl]amino}anthracene-9,10-dione
+CN(C)C1=C(C=C(NC1=O)CC(=O)N2CCc3ccccc3C2)Oc4cc(cc(c4)Cl)C#N	3OB	3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1h)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile
+C1C[C@H](CC(=O)C1)C(=O)O	3OC	(1r)-3-oxocyclohexanecarboxylic acid
+CC(=O)O[C@@H]1[C@@H](O[C@@H]([C@@H]1O)O)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	3OD	(2s,3s,4r,5s)-2-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4,5-dihydroxytetrahydrofuran-3-yl acetate
+Cc1ccsc1CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc4ccccc4	3OE	4-(benzyloxy)-n-[(2s,3r)-3-hydroxy-1-{[(2s)-1-{[(3-methylthiophen-2-yl)methyl]amino}-1-oxo-4-phenylbutan-2-yl]amino}-1-oxobutan-2-yl]benzamide
+[OH2][Fe+3][OH2]	3OF	hydrated fe (iii) ion, 2 waters coordinated
+CCCCCCCCCC[C@@H]([C@H]1CCCC(=O)O1)OC(=O)C	3OG	(1s)-1-[(2r)-6-oxotetrahydro-2h-pyran-2-yl]undecyl acetate
+C(CO)C(=O)O	3OH	3-hydroxy-propanoic acid
+B1(c2ccc(cc2CO1)Oc3ccc(c(c3)C#N)C#N)O	3OJ	4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile
+c1cc(c2c(c1NCCN)C(=O)c3c(ccc(c3C2=O)O)O)NCCN	3OK	1,4-bis[(2-aminoethyl)amino]-5,8-dihydroxyanthracene-9,10-dione
+CCCCC[C@H](C=C)O	3OL	(3r)-oct-1-en-3-ol
+CCCCC[C@@H](C=C)O	3OM	(3s)-1-octen-3-ol
+CC1=C(C(C[C@@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C/C=C/C=C(/C)\C=C\C=C(/C)\CO)\C)\C	3ON	(3r)-3-hydroxy-8'-apocarotenol
+CC(C)(C)NCCCNC(=O)c1cccc(c1)Br	3OO	3-bromo-n-[3-(tert-butylamino)propyl]benzamide
+c1cc(cnc1)Oc2cccnc2	3OP	3,3'-oxydipyridine
+C[C@](c1ccc(cc1)S(=O)(=O)c2ccc(cc2CCF)C#N)(C(F)(F)F)O	3OQ	3-(2-fluoroethyl)-4-({4-[(2s)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile
+c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)CN3C(=O)CCCO3)C(=O)NOCCO	3OR	3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide
+C#Cc1ccc(c(c1)F)Nc2c(cc(c(c2F)F)C=NOCCO)C(=O)NOCCO	3OS	2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide
+COC1=CC(=CC=CC1=O)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5	3OT	2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1h-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5CCc6cc(ccc6C5=O)N(C)C	3OU	6-(dimethylamino)-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-3,4-dihydroisoquinolin-1(2h)-one
+CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)N(C)C	3OV	6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2h)-one
+CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C	3OW	(2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4s,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide
+CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C	3OX	(2s,4s)-4-hydroxy-2-(1-methylethyl)-4-[(4r,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-n-(2-methylpropyl)butanamide
+CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5ccn4)Br	3OY	n-propanoyl-d-alanyl-(4r)-4-[(7-bromoisoquinolin-1-yl)oxy]-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-l-prolinamide
+Cc1cc(ccc1OCC(=O)O)C[N@@]2Cc3ccccc3[C@H]2C(=O)Nc4ccc(cc4Cl)Cl	3OZ	[4-({(1s)-1-[(2,4-dichlorophenyl)carbamoyl]-1,3-dihydro-2h-isoindol-2-yl}methyl)-2-methylphenoxy]acetic acid
+CC(C)(C#N)c1cc2c(c(c1)F)C(=O)N(CC2)c3cccc(c3CO)C4=CN(C(=O)C(=C4)Nc5ccc(cn5)N6CCN(CC6)C)C	3P0	2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile
+c1ccc2c(c1)ccc(n2)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N	3P1	8-[(quinolin-2-ylmethyl)amino]adenosine
+Cc1c(c(on1)C)c2ccc(cc2)c3c(n4ccncc4n3)NC(C)(C)C	3P2	n-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyrazin-3-amine
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)O	3P3	n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide
+CCc1c2c([nH][n+]1C3CN(C3)CC)C(=O)NC(=N2)c4cc(cnc4OCCC=C)C(=C)O	3P4	5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyvinyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-1,2,6,7a-tetrahydro-7h-pyrazolo[4,3-d]pyrimidin-7-one
+c1cc(cc(c1)C2CC2)CN[C@H]3CS(=O)(=O)C[C@H]([C@@H]3O)Cc4ccc(c(c4)Br)O	3P5	(3s,4s,5r)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+C[C@@]12Cc3c(c(n[nH]3)C(=O)Nc4cnn(c4)[C@H](c5ccccc5)[C@H]6CCCCS6(=O)=O)C[C@@H]1C2(F)F	3P6	(4as,5ar)-n-{1-[(r)-[(2r)-1,1-dioxidotetrahydro-2h-thiopyran-2-yl](phenyl)methyl]-1h-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide
+CO[C@@](C=O)([C@@H]1N=C(C(=C)CO1)C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O	3P7	(2r)-2-[(1r)-1-{[(2r)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3 -oxazine-4-carboxylic acid
+C[NH3+]	3P8	methylammonium ion
+C[C@@H](CO)OC[C@H](C)OC[C@@H](C)O	3P9	(2s)-2-{[(2s)-2-{[(2r)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
+C1CCC(C1)CCC(=O)O	3PA	3-cyclopentyl-propionic acid
+C[C@H](CC(=O)O)OP(=O)(O)O	3PB	(3r)-3-(phosphonooxy)butanoic acid
+CCCCCC(=O)OC[C@H](CCP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC	3PC	(3s)-3,4-di-n-hexanoyloxybutyl-1-phosphocholine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N=C(NC2=O)N	3PD	2-amino-9-(2-deoxy-3-o-phosphonopentofuranosyl)-1,9-dihydro-6h-purin-6-one
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	3PE	1,2-distearoyl-sn-glycerophosphoethanolamine
+CN1Cc2ccccc2NC1=O	3PF	3-methyl-3,4-dihydroquinazolin-2(1h)-one
+C([C@H](C(=O)O)O)OP(=O)(O)O	3PG	3-phosphoglyceric acid
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC	3PH	1,2-diacyl-glycerol-3-sn-phosphate
+CCC[C@H](O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC	3PI	(1s)-2-(1-hydroxybutoxy)-1-{[(hydroxy{[(2r,3s,5r,6s)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}ethyl butyrate
+C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(CCC(=O)N)c4ccccc4)(C(F)(F)F)O	3PJ	n-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
+CCCCCC(=O)O[C@@H](C)COC(=O)CCCC	3PK	(2s)-1-(pentanoyloxy)propan-2-yl hexanoate
+c1ccc(cc1)CCC=O	3PL	3-phenylpropanal
+CC(C)(C)OC[C@H](C(=O)O)N	3PM	o-tert-butyl-d-serine
+OP(=O)(O)OP(=O)(O)OP(=O)(O)O	3PO	triphosphate
+C(CP(=O)(O)O)C(=O)O	3PP	3-phosphonopropanoic acid
+C[C@]1(C(=O)NC(=O)N1)CNC(=O)COc2ccc(cc2)Cl	3PQ	2-(4-chlorophenoxy)-n-{[(4r)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}acetamide
+Cc1nc2c(cccc2C(=O)Nc3ccc(nc3)OC)c(n1)N	3PS	4-amino-n-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide
+CCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC	3PT	(2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate
+c1cc2c(cc1Cl)cc(o2)C(=O)NC[C@@]3(C(=O)NC(=O)N3)c4nccs4	3PU	5-chloro-n-{[(4r)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide
+Cn1ccnc1[C@]2(C(=O)NC(=O)N2)CNC(=O)c3cc4cc(ccc4o3)Cl	3PW	5-chloro-n-{[(4s)-4-(1-methyl-1h-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide
+CC(C)O[C@H]1CCN[C@@H]1C(=O)O	3PX	(3s)-3-(propan-2-yloxy)-l-proline
+C(C(=O)C(=O)O)O	3PY	3-hydroxypyruvic acid
+Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccccc5	3PZ	(3r)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile
+CCNc1cc(nc(n1)N)c2ccc3c(c2)n[nH]c3N	3Q0	6-(3-amino-2h-indazol-6-yl)-n~4~-ethylpyrimidine-2,4-diamine
+c1cc2c(cc1c3cc(nc(n3)N)N4CCOCC4)n[nH]c2N	3Q1	6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2h-indazol-3-amine
+C[C@@H]1COCC[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N	3Q2	6-{2-amino-6-[(3r)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2h-indazol-3-amine
+c1ccc(cc1)NC(=O)[C@@H]2C[N@@](CCO2)c3cc(nc(n3)N)c4ccc5c(c4)n[nH]c5N	3Q3	(2s)-4-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-n-phenylmorpholine-2-carboxamide
+C[C@@H]1CC[C@@H](C[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)C(=O)Nc5ccccc5	3Q4	(3s,6r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-6-methyl-n-phenylpiperidine-3-carboxamide
+C[C@H]1CC[C@H](C[N@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C	3Q5	tert-butyl {(3r,6s)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate
+C[C@@H]1C[C@H](C[N@](C1)c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C	3Q6	tert-butyl {(3r,5r)-1-[2-amino-6-(3-amino-2h-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate
+C[As+](C)(C)CC(=O)[O-]	3Q7	(trimethylarsonio)acetate
+CCC1=C(C(=NC1=O)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC\4=NC(=O)[C@H](/C4=C\C)C)C)CCC(=O)O)CCC(=O)O)C)C	3Q8	3-[2-[[5-[[(3e,4s)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CCSCCOCCO	3QA	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol
+CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O	3QB	lincomycin
+Cc1ccc2c(c1C)CN(C[C@@H]2c3cccc(c3)O)C(=O)N(C)C	3QC	(4r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide
+B(CC)(O)O	3QD	ethylboronic acid
+c1nc2c(n1C[C@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N	3QE	{[(2r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
+c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CC=O)CCP(=O)(O)O)N=C(NC2=O)N	3QF	[2-([2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)ethyl]{2-[(2-oxoethyl)(2-phosphonoethyl)amino]ethyl}amino)ethyl]phosphonic acid
+c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O)NC=NC2=O	3QG	[2-({2-[bis(2-phosphonoethyl)amino]ethyl}[2-(6-oxo-3,6-dihydro-9h-purin-9-yl)ethyl]amino)ethyl]phosphonic acid
+Cc1ccc(cc1)[C@@H](C)Nc2c3cc(ccc3ncc2C(=O)N)C#N	3QH	6-cyano-4-[[(1r)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide
+Cc1ccnc(c1)N2C(=O)c3c(c(sc3N=C2S)C)C	3QI	5,6-dimethyl-3-(4-methyl-2-pyridinyl)-2-thioxo-2,3-dihydrothieno[2,3- d]pyrimidin-4(1h)-one
+[B-](CCCCCC)(O)(O)O	3QJ	hexyl(trihydroxy)borate(1-)
+[B-](CCCCCCCC)(O)(O)O	3QK	trihydroxy(octyl)borate(1-)
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O	3QL	n-[(1r,2s,3r,4r,5r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide
+C[C@H](Cc1ccccc1)N=O	3QM	[(2r)-2-nitrosopropyl]benzene
+Cc1ccc(c(c1O)/C=N/CCCC[C@@H](C(=O)O)N)COP(=O)(O)O	3QN	(e)-n~6~-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-l-lysine
+c1ccc(cc1)Cc2ccncc2	3QO	4-benzylpyridine
+Cc1ccc(c(c1O)/C=N/[C@@H](CC(=O)O)C(=O)O)COP(=O)(O)O	3QP	(e)-n-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-l-aspartic acid
+CC(C)CN(Cc1ccc(cc1)F)S(=O)(=O)c2ccc(nc2)NC3CCN(CC3)S(=O)(=O)C	3QQ	n-(4-fluorobenzyl)-n-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide
+c1cc2c(cc1n3cc(nn3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)S(=O)(=O)NC2=O	3QR	[1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1h-1,2,3-triazol-4-yl]methyl alpha-l-idopyranoside
+COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3	3QS	1-cyclopentyl-n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1h-pyrrolo[3,2-c]pyridin-6-amine
+Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5	3QT	6-{[6-(1-methyl-1h-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline
+c1cc(ccc1Cc2ccncc2)[N+](=O)[O-]	3QU	4-(4-nitrobenzyl)pyridine
+c1cc2c(cc1O)OC(=O)C(=C2)C#N	3QV	7-hydroxy-2-oxo-2h-chromene-3-carbonitrile
+CC(C)n1c2cc(ncc2cc1c3c[nH]nc3)Nc4ccnc(n4)N5CCC(CC5)OC	3QW	n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
+C[C@@]1(CCC[C@H]1Nc2c3cccn3ncc2C(=O)N)F	3QX	4-{[(1r,2s)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide
+COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cc([nH]4)c5c[nH]nc5)cn3	3QY	n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
+CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O	3QZ	(9beta)-17-hydroxypregn-4-ene-3,20-dione
+COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)[nH]c(n4)c5c[nH]nc5	3R0	n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1h-pyrazol-4-yl)-3h-imidazo[4,5-c]pyridin-6-amine
+Cc1cc(nc(n1)N[C@@H](C)CO)Nc2cc(ccn2)NC(=O)c3c(cccc3Cl)Cl	3R1	2,6-dichloro-n-{2-[(2-{[(2s)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide
+C[C@H]1C[C@@H](C[C@H]([C@@H]1O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O	3R2	2'-deoxy-5'-o-[(r)-{[(r)-{[(1s,3r,4r,5s)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(NP(=O)(O)O)O)O)O)OP(=O)(O)O	3R3	[[[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
+c1cc2c(cc1F)sc(c2Cl)C(=O)O	3R4	3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
+COc1ccc(c(c1)C=O)OCc2cccnc2	3R5	5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
+CSc1ccc(c(c1)C(=O)O)O	3R6	2-hydroxy-5-(methylsulfanyl)benzoic acid
+C=Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2)C(=O)O	3R7	4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid
+C1[C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O	3R9	(3s,5s,7ar)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
+c1ccc(cc1)NC2=NC(=O)C(=N2)Cc3ccc4c(c3)OCO4	3RA	5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4h-imidazol-4-one
+C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCCc2c1cccc2	3RB	(2e,4e,6z,8e)-3,7-dimethyl-8-(6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylidene)octa-2,4,6-trienoic acid
+c1ccc(cc1)Cn2cc(nn2)c3c[nH]c4c3cccn4	3RC	3-(1-benzyl-1h-1,2,3-triazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
+Cc1c(c(c(c(n1)/N=N/c2ccc(cc2)C(=O)O)COP(=O)(O)O)C=O)O	3RD	4-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid
+Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3cc[nH]n3)C4CCC(CC4)OC	3RE	2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1h-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8h)-one
+c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)N)Nc4cc([nH]n4)C5CC5	3RF	n~2~-(4-aminophenyl)-n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)quinazoline-2,4-diamine
+c1ccc(c(c1)C(=O)O)NCC(=O)O	3RG	2-[(carboxymethyl)amino]benzoic acid
+c1ccc(cc1)[C@@H]2Cc3cnc(nc3-c4c2cccc4)N	3RH	(6s)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
+C1[C@@H]([C@H]([C@@H]([C@H](CN1CCO)O)O)O)O	3RI	(3s,4r,5r,6s)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol
+c1ccc2c(c1)c(nc(n2)Nc3ccc4c(c3)[nH]cn4)Nc5cc([nH]n5)C6CCC6	3RJ	n~2~-(1h-benzimidazol-6-yl)-n~4~-(5-cyclobutyl-1h-pyrazol-3-yl)quinazoline-2,4-diamine
+C1[C@@H]([C@H]([C@@H]([C@H](CN1)O)O)O)O	3RK	(3s,4r,5r,6s)-azepane-3,4,5,6-tetrol
+COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O	3RL	pterostilbene
+c1cc(ccc1OCCN2CCN(CC2)c3[nH]c(nn3)N)Br	3RM	5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4h-1,2,4-triazol-3-amine
+C1CC(=O)C(=C1)CO	3RN	2-(hydroxymethyl)cyclopent-2-en-1-one
+c1cc(cc(c1)Cl)CCC2=C(NC(=O)NC2=O)C(=O)O	3RO	5-[2-(3-chlorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1cc(nc(n1)N)c2cc(c(cc2Cl)Cl)OC	3RP	4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine
+Cc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)Cl)OC	3RQ	4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1c(c2c(nc(nc2[nH]1)C)c3cc(c(cc3Cl)Cl)OC)C#N	3RR	4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)N[C@@H]4CCOC(C4)(C)C	3RS	(2r)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-[(4r)-2,2-dimethyltetrahydro-2h-pyran-4-yl]-2-methylpropanamide
+c1cc(n2c(c1)nc(n2)Nc3ccc4c(c3)[nH]nc4NC5CCOCC5)CC6CCOCC6	3RT	n~3~-(tetrahydro-2h-pyran-4-yl)-n~6~-[5-(tetrahydro-2h-pyran-4-ylmethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1h-indazole-3,6-diamine
+c1ccc2c(c1)cc(c(n2)N)CCC(=O)NCC3CCCCC3	3RU	3-(2-aminoquinolin-3-yl)-n-(cyclohexylmethyl)propanamide
+c1ccc2c(c1)cccc2/C=C\3/C(=O)N=C(S3)Nc4ccc(cc4C(=O)O)F	3RV	5-fluoro-2-{[(5z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid
+CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)NCCc4cccnc4	3RW	[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[2-(pyridin-3-yl)ethyl]amino}pyrazin-2-yl)methanone
+CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C	3RX	n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-n'-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine
+c1ccc2c(c1)cccc2CC3=SC(=NC3=O)Nc4ccccc4C(=O)O	3RY	2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4h-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid
+Cc1nc2c(cccc2C(=O)Nc3cc[nH]n3)c(n1)N	3RZ	4-amino-2-methyl-n-(1h-pyrazol-3-yl)quinazoline-8-carboxamide
+CO/N=C(/c1ccco1)\C(=O)N[C@@H]([C@@H]2N=C([C@H](CS2)COC(=O)N)C(=O)O)C(=O)O	3S0	(2r,5s)-5-[(carbamoyloxy)methyl]-2-[(r)-carboxy{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1ccc(c(c1)CO)c2ccc3c(c2)C=CNC3=O	3S1	6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2h)-one
+CNCCCCNC(=O)N1CC[C@H]([C@H]1C=O)NS(=O)(=O)O	3S2	[(2s,3r)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid
+C[C@@H]1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)[NH3+]	3S3	(1r)-2-({(r)-carboxy[(2r,5s)-4-carboxy-5-methyl-5,6-dihydro-2h-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium
+C[C@@](CCO)(CC(=O)O)OP(=O)(O)O	3S4	(3r)-5-hydroxy-3-methyl-3-(phosphonooxy)pentanoic acid
+[H]/N=C(/N)\NCCS(=O)(=O)O	3S5	taurocyamine
+C=CCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O	3S6	prop-2-en-1-yl beta-d-galactofuranoside
+c1ccc(cc1)COC(=O)NCC#N	3S9	benzyl (cyanomethyl)carbamate
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O)CO	3SA	acarbose derived trisaccharide
+Cc1cc(cc(c1/C=N/NC(=O)[C@H](c2ccccc2)N)O)O	3SB	(2s)-2-amino-n'-[(1e)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide
+c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)c(cn3)SC#N)NCc4ccncc4	3SC	5-(2,3-dichlorophenyl)-n-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine
+Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c3cc(on3)C	3SD	n~4~-(2,2-dimethylpropyl)-n~1~-{(2s)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-n~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-l-aspartamide
+c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F	3SE	4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one
+c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCCC(F)(F)F	3SF	5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one
+COC(=O)c1ccc(c(c1)NC(=O)c2cccc(c2)c3cc(ccc3CN)C(=O)Nc4ccncc4F)F	3SG	methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate
+CCOC(=O)c1c(nc(s1)Nc2ccc(c(c2)Cl)C)c3ccccc3	3SH	ethyl 2-[(3-chloro-4-methylphenyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
+Cn1cc(c(n1)COc2ccc(cc2)c3ccc4ccccc4n3)C5=CN(C(=O)C=C5)C	3SJ	1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1h-pyrazol-4-yl)pyridin-2(1h)-one
+Cc1ccccc1C(=O)O	3SK	2-methylbenzoic acid
+C([C@@H](C(=O)O)O)S(=O)(=O)O	3SL	(2r)-3-sulfolactic acid
+CNc1c2c(c3cc([nH]c3n1)c4cccc(n4)CNC(=O)COC)n(cn2)C	3SM	2-methoxy-n-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide
+CC(=O)N1CCN(CC1)c2ccc(c(c2)F)CN(C3CCC3)S(=O)(=O)c4ccccc4	3SN	n-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-n-cyclobutylbenzenesulfonamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)Cc2c[nH]c3c2cccc3)O	3SO	{5-hydroxy-4-[(1e)-4-(1h-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate
+[H]/N=C(/c1ccc(s1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N	3SP	n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({5-[(e)-amino(imino)methyl]thien-2-yl}methyl)-l-prolinamide
+c1cc(ccc1c2c[nH]cn2)F	3SQ	4-(4-fluorophenyl)-1h-imidazole
+CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)c4ccco4	3SR	8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1h-purine-2,6-dione
+C(CSS)C(=O)O	3SS	3-disulfanylpropanoic acid
+CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C(=O)N	3ST	1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl]methyl}piperidine-4-carboxamide
+c1cc2c(cc1Br)[nH]cc2/C=C(/C(=O)O)\S	3SU	(2z)-3-(6-bromo-1h-indol-3-yl)-2-sulfanylprop-2-enoic acid
+CCC1=C(/C(=C/C(C)CCCC(C)CC(=O)O)/CCC1)CCC(C)C	3SV	(3s,7s,8e)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid
+CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C2CC2	3SW	(2e,4e,6z,8e)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid
+CC(C)CN(Cc1ccc(cc1)N2CCN(CC2)C(=O)C)S(=O)(=O)Cc3ccccc3	3SX	n-[4-(4-acetylpiperazin-1-yl)benzyl]-n-(2-methylpropyl)-1-phenylmethanesulfonamide
+C(C(CO)(CO)CO)O	3SY	2,2-bis(hydroxymethyl)propane-1,3-diol
+c1cc(cc(c1)S(=O)(=O)[N@]2CCC[N@](CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)N	3SZ	3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline
+Cc1ccc(cc1)CN2C(=O)/C(=C/c3cc(ccc3OC)Br)/SC2=O	3T0	(5z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione
+COc1cc(cc(c1O)Cl)C2C3=C(CC(CC3=O)c4ccccc4)Nc5ccccc5N2	3T1	(3s,11s)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
+CC(C)CCC\1=C(CCC/C1=C\C(=C/C=C/C(=C/C(=O)O)/C)\C)C(C)C	3T2	(2e,4e,6z,8e)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid
+c1cc2c(cc1O)c3c4n2[Ru]56([N]7=C4C(=CC(=C7)F)C8=C3C(=O)NC8=O)([S]9CC[S]5CC[S]6CC9)[N]CS	3T3	[(amino-kappan)methanethiolato](3-fluoro-9-hydroxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h,12h)-dionato-kappa~2~n,n')(1,4,7-trithionane-kappa~3~s~1~,s~4~,s~7~)ruthenium
+c1cc(c(cc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)[N+](=O)[O-])C#N	3T4	{5-chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C	3T5	(11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate
+c1ccc(cc1)n2cc(nn2)CN(Cc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)c5nnc(s5)S(=O)(=O)N	3T7	2-({[1-(beta-d-glucopyranosyl)-1h-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole
+CNC(=O)c1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccc(cc4Cl)C(=O)N5CCN(CC5)C	3T8	n~2~-{2-chloro-4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-n~2~,n~8~-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide
+COc1cc(ccc1O)c2ccc3c([nH]nc3n2)c4ccccc4	3T9	2-methoxy-4-(3-phenyl-2h-pyrazolo[3,4-b]pyridin-6-yl)phenol
+Cc1c(cc(cn1)CCCN(C)C)Nc2ncc3c(n2)-c4ccc(cc4NC(=S)C3)Cl	3TA	9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6h-pyrimido[5,4-d][1]benzazepine-6-thi one
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]\1CCC/C1=C\[C@H](COP(=O)(O)O)NC(=O)[C@H](Cc2ccccc2)N	3TB	n-[(1e,2r)-1-[(2r)-2-{[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-l-phenylalaninamide
+C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N	3TC	4-amino-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1h)-one
+CN1C(=O)C(=CNC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	3TD	(1s)-1,4-anhydro-1-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-o-phosphono-d-ribitol
+Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cccc4)C	3TE	2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-n-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC	3TF	(2s)-1-(alpha-d-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11z)-octadec-11-enoate
+c1ccc(cc1)C(CC(=O)Cn2ccnc2)c3ccccc3	3TG	1-(1h-imidazol-1-yl)-4,4-diphenylbutan-2-one
+c1ccc2c(c1)C[C@H](C(=O)N2)NC(=O)c3cc4cc(sc4[nH]3)Cl	3TH	2-chloro-n-[(3r)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-6h-thieno[2,3-b]pyrrole-5-carboxamide
+c1ccc2c(c1)ccc(c2/C=N/c3ccc(cc3)O)O	3TI	1-{(e)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol
+CCN1CNS(=O)(=O)c2c1ccc(c2)F	3TJ	4-ethyl-7-fluoro-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3ccccc3)C	3TK	n-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
+C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4	3TL	benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
+CC1(CCC(c2c1cc(c(c2)OC)c3cc(ccc3O)\C=C\C(=O)O)(C)C)C	3TN	(2e)-3-[4-hydroxy-3-(3-methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acid
+C[N@@](Cc1cccc(c1)CCc2cccnc2N)Cc3ccco3	3TO	3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine
+C[C@H](c1nc(no1)c2ccc(cc2)S(=O)(=O)C)[C@@H](C(=O)N3CCCC3)N	3TP	(2s,3s)-3-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-oxo-1-pyrrolidin-1-ylbutan-2-amine
+CC(C)CN1CCC(CC1)S(=O)c2ccc(cc2)CNC(=O)c3cc4ccncc4o3	3TQ	n-(4-{(s)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide
+c1[nH]nc(n1)N	3TR	3-amino-1,2,4-triazole
+c1cc(ccc1CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N)N)CO)Cl	3TS	(2s,3s,4r,5r,6r)-2-(aminomethyl)-5-azanyl-6-[(2r,3s,4r,5s)-5-[(1r,2r,3s,5r,6s)-3,5-bis(azanyl)-2-[(2s,3r,4r,5s,6r)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)N2C=CC(=NC2=O)N	3TT	[[[[(2r,5s)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
+c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O	3TU	(2s)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2h-isoindol-2-yl)pentanedioic acid
+CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	3TV	2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide
+COCCOc1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O	3TW	4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1h-1,2,3-triazol-1-yl}phenol
+c1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O	3TX	4-[4-(quinolin-2-yl)-1h-1,2,3-triazol-1-yl]phenol
+c1ccc(cc1)CN/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N	3TY	3-[(3e)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine
+c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc(cc4)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3TZ	n-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-l-glutamic acid
+c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)O[C@H]5CNCCC56CC6)F	3U1	3-{6-[(4r)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1h-indazole
+C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)c2ccccc2	3U2	n-[(1s,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide
+C[C@@H]1[C@H](C[C@H]([C@@H]([C@@H]1O)O)O)NC(=O)C	3U3	n-[(1s,2r,3r,4s,5r)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide
+c1ccc(c(c1)C(=O)O)F	3U4	2-fluorobenzoic acid
+c1ccc2c(c1)cc(cn2)c3c4cc(ccc4n[nH]3)c5cnc(s5)N	3U5	5-[3-(quinolin-3-yl)-2h-indazol-5-yl]-1,3-thiazol-2-amine
+c1cc(nc(c1)NC2CCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N	3U6	6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1h-indol-3-yl]-n-cyclopentylpyridin-2-amine
+c1cc(c(c(c1C(=O)CCc2[nH]ccn2)Cl)Cl)OCCCC(=O)O	3U7	4-{2,3-dichloro-4-[3-(1h-imidazol-2-yl)propanoyl]phenoxy}butanoic acid
+c1cc(c(cc1C(=O)CCc2[nH]ccn2)Cl)OCCCC(=O)O	3U8	4-{2-chloro-4-[3-(1h-imidazol-2-yl)propanoyl]phenoxy}butanoic acid
+C[C@H](c1cc(ccc1OC)F)Oc2cc(cnc2N)c3cnnn3C	3U9	3-[(1r)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-methyl-1h-1,2,3-triazol-5-yl)pyridin-2-amine
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@@H](O3)[C@@H](CO)O)(F)F)(F)F)O)O	3UA	(2r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydrofuran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+C[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)OC(C)C	3UB	propan-2-yl hydrogen (s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@H]([C@H](O3)CO)O)(F)F)(F)F)O)O	3UC	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,5s,6r)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate (non-preferred name)
+C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)CC(=O)Nc5ccc(c(c5)OC)C(=O)O	3UD	4-({[(3r,5r,6s)-1-[(1s)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid
+Cc1cc(ccc1[N+](=O)[O-])C(=O)N2CCN(CC2)C(c3ccccc3)c4ccccc4	3UE	[4-(diphenylmethyl)piperazin-1-yl](3-methyl-4-nitrophenyl)methanone
+c1cc(ccc1SCCO)S(=O)(=O)N	3UF	4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
+C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F	3UG	2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide
+c1ccc(cc1)c2ccc(c(c2)C(=O)NCc3cccc(c3)[N+](=O)[O-])OCC(=O)O	3UH	({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid
+Cc1cn(c2c1cccc2)CCN3CCN(CC3)c4ccccc4c5cc(cc(c5)C(=O)NCCCN6CCCC6)C#N	3UJ	5-cyano-2'-{4-[2-(3-methyl-1h-indol-1-yl)ethyl]piperazin-1-yl}-n-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide
+c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	3UK	5'-o-[(s)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine
+c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3	3UL	n-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide
+C[C@@H]1[C@@H]2C[C@H]([C@@]3([C@@]([C@H]2CC=C1C=C)(CCC[C@]3(C)C(=O)O)C)O)O	3UM	(5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid
+CCOC(=O)C(CCNC(=O)OC(C)(C)C)(Cc1ccc(cc1)NS(=O)(=O)O)C(=O)OCC	3UN	(4-{4-[(tert-butoxycarbonyl)amino]-2,2-bis(ethoxycarbonyl)butyl}phenyl)sulfamic acid
+COc1ccncc1NC(=O)c2ccnc(c2)NC(=O)C3CC3	3UO	2-[(cyclopropylcarbonyl)amino]-n-(4-methoxypyridin-3-yl)pyridine-4-carboxamide
+c1ccc(cc1)c2ccncc2NC(=O)c3ccnc(c3)NC(=O)C4CC4	3UP	2-[(cyclopropylcarbonyl)amino]-n-(4-phenylpyridin-3-yl)pyridine-4-carboxamide
+C1=CC23=C4([Ru+]2567892%10([CH]3=[CH]5[CH]6=[CH]74)[CH]3=[CH]8C9[CH]2=[CH]%103)C=C1	3UQ	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+)
+c1cc(c(c(c1)F)c2ccc3c(c2)c([nH]n3)c4cncc(n4)N5CCC[C@@H](C5)N)F	3UR	(3s)-1-{6-[5-(2,6-difluorophenyl)-2h-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine
+CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4NCCCCNC(=O)C)O)O	3US	n-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine
+c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(nc(c5O3)F)C6=CCCOC6	3UT	(5s)-3-(5,6-dihydro-2h-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
+CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2OCCC4)c5cccnc5F)N=C1N	3UW	(4s,4a's,10a'r)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1h)-one
+C[C@@]12CCCO[C@H]1[C@@]3(c4cc(ccc4O2)c5cccnc5F)C(=O)N(C(=N3)N)C	3UX	(4s,4a'r,10a's)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'h-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1h)-one
+C[C@@]12CCCO[C@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F	3UY	(4r,4a'r,10a's)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'h-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine
+COc1cc(ccc1OCC#C)CCNC(=O)[C@H](c2ccc(cc2)Cl)OCC#C	3UZ	(2s)-2-(4-chlorophenyl)-n-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide
+c1cc(c(cc1I)F)Nc2c3cnccc3oc2C(=O)NOC[C@@H](CO)O	3V0	n-{[(2r)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide
+Cc1c(sc(n1)Cl)C(=O)Nc2cccc(c2)Oc3ccc(cc3)NC(=O)/C(=C(/C4CC4)\O)/C#N	3V1	2-chloro-n-[3-(4-{[(2z)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enoyl]amino}phenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
+CC[C@H](N)P(=O)(O)O	3V2	[(1r)-1-aminopropyl]phosphonic acid
+C(COCCOCCOCCOCCN)C(=O)O	3V3	1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid
+CC1=CC[C@H]2[C@@H](C1)C2(C)C	3V4	(+)-3-carene
+CC(=O)[C@H](C=O)[C@@H]1C[C@@H]([C@H](N1)C(=O)O)SCNCN	3V5	(3s,5s)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2s)-1,3-dioxobutan-2-yl]-l-proline
+C[C@@H]1CC(=C2[C@@H]([C@H]1O)[C@H]([C@@](OC2=O)(C)C(Cl)Cl)NC(=O)[C@H](C)N)O	3V6	bactobolin a
+c1c(nnn1CCCO)CO	3V7	3-[4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl]propan-1-ol
+c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CCC(=O)O	3V8	(4s)-4-[4-(2-carboxyethyl)-1h-1,2,3-triazol-1-yl]-l-proline
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O	3V9	n-(1,3-benzodioxol-5-ylmethyl)-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+C([C@H]([C@@H](CO)O)O)O	3VB	d-threitol
+CC(c1cc2ccc(cc2nc1c3ccccn3)F)Nc4c5c([nH]cn5)ncn4	3VC	n-{(1s)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine
+C[C@@H](c1cc2cccc(c2nc1c3cccc(c3)F)Cl)Nc4c5c([nH]cn5)ncn4	3VD	n-{(1s)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9h-purin-6-amine
+Cc1c(cccn1)c2c(cc3cccc(c3n2)Cl)[C@H](C)Nc4c5c([nH]cn5)ncn4	3VE	n-{(1s)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9h-purin-6-amine
+CC(C)(c1cc(cc(c1)Cl)Cl)C(=O)c2cc(ccc2OC)C(=O)NCc3ccnc(n3)C#N	3VF	n-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@@H](C=C6)C=C[C@H]7C(=O)O	3VH	 (3ar,5as,8s,10as)-1-[(3s,6r,8as)-1'-[(2s)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid
+c1c(cc[n+](c1)C[n+]2ccc(cc2)/C=N/O)/C=N/O	3VI	1,1'-methylenebis{4-[(e)-(hydroxyimino)methyl]pyridin-1-ium}
+[H]/N=C\CNC(=O)CNC(=O)c1ccc(c(c1)C(=O)C(C)(C)c2cc(cc(c2)Cl)Cl)OC	3VJ	3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-n-(2-{[(2z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide
+CCN[C@@H](c1cc(cc(c1)Cl)Cl)C(=O)N[C@H](C(=O)NCC(=O)NCCCS(=O)(=O)C)C(C)(C)C	3VK	n-[(2s)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-l-valyl-n-[3-(methylsulfonyl)propyl]glycinamide
+CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O	3VL	methyl (1r,2r,4s)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
+c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)n[nH]c4N)NC(=O)C5CCC(CC5)CN	3VM	trans-n-{(1s)-1-[4-(3-amino-2h-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide
+C(CCN)C[C@@](CC[C@](CCCCN)(C(=O)O)N)(C(=O)O)N	3VN	(2r,5r)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid
+c1cc(c(cc1F)F)[C@]23COCC[C@H]2CSC(=N3)N	3VO	(4ar,8as)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF	3VP	(4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+c1ccnc(c1)c2ccc(s2)C(=O)N	3VQ	5-(pyridin-2-yl)thiophene-2-carboxamide
+CNCc1ccc(cc1)Cn2cccn2	3VR	n-methyl-1-[4-(1h-pyrazol-1-ylmethyl)phenyl]methanamine
+c1cc(ccc1C(=O)N)n2ccnc2	3VS	4-(1h-imidazol-1-yl)benzamide
+B1(c2cc(c(c(c2[C@H](O1)CC(=O)O)C)C)Oc3cnccn3)O	3VT	[(3r)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid
+B1(c2cc(c(c(c2[C@H](O1)CC(=O)O)C)C)Oc3nc(ns3)N)O	3VU	{(3r)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	3VV	s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9z)-octadec-9-enethioate (non-preferred name)
+c1ccc(cc1)C(=O)C2CCNCC2	3VW	phenyl(piperidin-4-yl)methanone
+CC(=O)Nc1ccc2c(c1)C=CC2=O	3VX	n-(1-oxo-1h-inden-5-yl)acetamide
+Cn1cc(c2c1cccc2)CC(=O)O	3VY	(1-methyl-1h-indol-3-yl)acetic acid
+CC(C)c1ccc(cc1)Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O	3VZ	{6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1h-indol-3-yl}acetic acid
+c1cc(ccc1CN)Cn2cc(cn2)Cl	3W1	1-{4-[(4-chloro-1h-pyrazol-1-yl)methyl]phenyl}methanamine
+CC(C)(C)n1cc2c(n1)C(=O)CC3(O2)CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5	3W2	2'-tert-butyl-1-(2h-indazol-5-ylcarbonyl)-2'h-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'h)-one
+C=CCOc1ccc(cc1)S(=O)(=O)N	3W3	4-(allyloxy)benzenesulfonamide
+c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@@H]5CCCS(=O)(=O)C5	3W4	n-[(3r)-1,1-dioxidotetrahydro-2h-thiopyran-3-yl]-4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide
+c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@H]5CCCS(=O)(=O)C5	3W5	n-[(3s)-1,1-dioxidotetrahydro-2h-thiopyran-3-yl]-4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide
+CCCOc1ccc(cc1)S(=O)(=O)N	3W6	4-propoxybenzenesulfonamide
+CC(C)n1c2c(cn1)CC3(CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5)CC2=O	3W7	1'-(2h-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6h)-one
+CCOc1ccc(cc1)S(=O)(=O)N	3W8	4-ethoxybenzenesulfonamide
+CCN(CC)c1ccc(cc1)C=O	3W9	4-(diethylamino)benzaldehyde
+c1nc(c2c(n1)NC=CC2=O)N	3WA	4-aminopyrido[2,3-d]pyrimidin-5(8h)-one
+Cc1cc(c2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81)C	3WB	(10,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium
+Cc1cc(nc2c1cccc2)N3CCNCC3	3WC	4-methyl-2-(piperazin-1-yl) quinoline
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)c3nccs3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N	3WD	2-methyl-l-alanyl-n-[(3r,4s,5s)-3-methoxy-1-{(2s)-2-[(1r,2r)-1-methoxy-2-methyl-3-oxo-3-{[(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+[H]/N=C/1\N[C@@H]2[C@@]3(N1)CCCN3C(=O)c4n2c5ccccc5c4Br	3WE	(2e,3ar,14as)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4h,8h-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O	3WF	ethinyl estradiol
+[C@@H]12[C@@H]([C@H](C([C@H]1Cl)Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	3WG	trans-nonachlor
+CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)I	3WH	n-ethyl-4-{[4-(1h-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide
+c1cc(ccc1N)N2C=CC(=O)c3c2ncnc3N	3WJ	4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8h)-one
+c1cc(ccc1N)Nc2c3c(ncn2)N=CCC3=O	3WK	4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6h)-one
+c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2	3WL	5,6,7-trihydroxy-2-phenyl-4h-chromen-4-one
+CCCCCCCCC/C=C\CCCCCC[C@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCCC)O	3WM	(1s,8e,1'r,8'z)-1,1'-{[(2s)-3-hydroxypropane-1,2-diyl]bis(oxy)}bisoctadec-8-en-1-ol
+c1cc(cc(c1)Nc2c3c(ncn2)NC=CC3=O)N	3WN	4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8h)-one
+c1cc(cc(c1)Nc2c3c(ncn2)N=CCC3=O)N	3WO	4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6h)-one
+C[C@]1(CCSC(=N1)N)c2ccc(cc2F)F	3WP	(4s)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine
+CCCOc1ccn2c(c1)c(cc2C(=O)C)c3ccccc3S(=O)(=O)C	3WQ	1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone
+c1cc(ccc1NC(=O)Nc2cc(ccc2F)C(F)(F)F)N3C=CC(=O)c4c3ncnc4N	3WR	1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5h)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
+CC(C)(C(=O)O)NC	3WS	n,2-dimethyl-l-alanine
+CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)NC	3WT	(3r,4s,5s)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid
+C[C@H]([C@H]([C@@H]1CCCN1)OC)C(=O)O	3WU	(2r,3r)-3-methoxy-2-methyl-3-[(2s)-pyrrolidin-2-yl]propanoic acid
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC	3WV	n,2-dimethyl-l-alanyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+c1ccc(cc1)C[C@@H](c2nccs2)N	3WW	(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
+C[C@]1(CCCN1)C(=O)O	3WX	2-methyl-l-proline
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@]3(CCCN3)C	3WY	2-methyl-l-prolyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N	3WZ	2-methyl-l-alanyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+Cc1nnc2n1-c3ccccc3N(C[C@H]2C)c4ccc(cc4)Cl	3X0	(4r)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
+CCCCCCCCC/C=C/C(=O)O	3X1	(2e)-dodec-2-enoic acid
+c1ccc(c(c1)/C=N/Nc2nc(cs2)c3ccccc3Cl)C(=O)O	3X2	2-[(e)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid
+c1ccc(cc1)n2nc(nn2)c3ccccc3OCc4ccco4	3X3	5-[2-(furan-2-ylmethoxy)phenyl]-2-phenyltetrazole
+CC(C)(C(=O)NCCCC[C@H](C(=O)O)N)NC(=O)CN1C(=O)c2ccccc2C1=O	3X4	n~6~-{n-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetyl]-2-methyl-d-alanyl}-d-lysine
+c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@@H]3CN[C@@H](Cc5cnc[nH]5)C=O	3X5	(2s)-2-({[(3r,4as,8ar)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1h-imidazol-5-yl)propanal
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N	3X6	(2e)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+c1cc(ccc1CN2CCCCC2)c3cc4c5cc(ncc5[nH]c4nc3)C#N	3X7	3-[4-(piperidin-1-ylmethyl)phenyl]-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
+c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	3X8	biphenyl-4-yl alpha-d-mannopyranoside
+CC1(C=C(C(N1O)(C)C)CSSC[C@@H](C(=O)O)N)C	3X9	3-{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl]disulfanyl}-l-alanine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC(c3cccc(c3)F)(F)F	3XA	6-{[(3s,4s)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)F)(F)F	3XB	6-{[(3r,4r)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccc(cc3)F)(F)F	3XC	6-{[(3r,4r)-4-(2-{[2,2-difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F	3XD	6-{[(3r,4r)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C[C@H]1C[C@H](N=C(C1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F	3XE	(4s,6s)-6-{[(3r,4r)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methyl-3,4,5,6-tetrahydropyridin-2-amine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC([C@H]3CCCCN3)(F)F	3XF	6-({(3s,4s)-4-[2-({2,2-difluoro-2-[(2r)-piperidin-2-yl]ethyl}amino)ethoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine
+CCOC(=O)CSC1=Nc2c3ccccc3sc2C(=O)N1CCCN4CCCC4	3XG	ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
+c1cc(cc(c1)O)C(=O)NCC(=O)O	3XH	3-hydroxyhippuric acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)C2CCCCC2	3XI	n-[(2s)-3-methyl-1-[[(2s)-4-methyl-1-oxidanylidene-1-[[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide
+c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O	3XJ	4-{[3-chloro-4-(alpha-d-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid
+CC(=O)Nc1cccc(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N	3XK	n-[3-(6-cyano-9h-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
+c1ccc(c(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N)O	3XL	3-(2-hydroxyphenyl)-9h-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
+CCCCCC(=O)C1=C(C(=CNC1=O)c2ccc(cc2)O)O	3XM	3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1h)-one
+c1cc(ccc1n2ccc3c2ccc(c3)[N+](=O)[O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	3XN	4-(5-nitro-1h-indol-1-yl)phenyl alpha-d-mannopyranoside
+CN1CCN(CC1)C2=C(C(=O)C2=O)Nc3ccc(c(c3)Cl)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	3XO	2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-d-mannopyranoside
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O	3XQ	(2s)-2,3-dihydroxypropyl octadecanoate
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](C[NH2+]1)C(=O)O)O)O	3XR	(2s,3r,4s,5s)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium
+COc1cccc(c1)c2csc(n2)N/N=C/c3ccccc3C(=O)O	3XS	2-[(e)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid
+[H]/N=C\CNC(=O)C1(CCCCC1)NC(=O)c2ccc(c(c2)F)N	3XT	4-amino-3-fluoro-n-(1-{[(2z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide
+CCCCCCCCCCCCC/C=C\[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	3XU	(4s,7s,23z)-4-hydroxy-7-[(1s,2z)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide
+c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cc(ncn3)NC4COC4)O	3XV	n-[(2s)-3-(3,4-dihydroisoquinolin-2(1h)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
+Cc1c(ccc2c1cc(n2Cc3c[nH]nc3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F	3XW	4-methyl-1-(1h-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+C/C=C/1\C(=O)C(=C(O1)C)O	3XX	(2e)-2-ethylidene-4-hydroxy-5-methylfuran-3(2h)-one
+c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N	3XY	5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5ncnc6N)O)O)N	3XZ	bis{[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate
+CCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H](O[C@@H]1S)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	3Y0	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r)-3-oxidanyl-5-sulfanyl-4-tridecoxy-oxolan-2-yl]methyl hydrogen phosphate
+c1cc(c(cc1Br)N)C(=O)NC2(CCCCC2)C(=O)NCC#N	3Y1	2-amino-4-bromo-n-{1-[(cyanomethyl)carbamoyl]cyclohexyl}benzamide
+[H]/N=C/CNC(=O)C1(CCCCC1)NC(=O)c2ccc(cc2N)Cl	3Y2	2-amino-4-chloro-n-(1-{[(2e)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide
+c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5CN)Cl	3Y3	1-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea
+COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)CCc4cc(ccc4n5cnnn5)Cl)Cl	3Y4	methyl (4-{4-chloro-2-[(1s)-1-({3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate
+c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5n6cnnn6)Cl	3Y5	1-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-5-chloro-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)benzyl]urea
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)NC(=O)N3C=CN(C(=O)C3=O)CC)(O)O	3Y6	3-[(2r)-2-(dihydroxyboranyl)-2-{[(2r)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2h)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid
+c1cc(c2c(c1N)non2)N3CCOCC3	3Y7	7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine
+CC1=C2[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@]([C@@H](N3)CC4=N[C@@](CC5=NC1[C@@](C5CCC(=O)O)(C)CC(=O)O)(C(=C4CCC(=O)O)CC(=O)O)C)(C)C=CC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O	3Y8	3-[(1r,2s,3s,7s,11s,16s,17r,18r,19r)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid
+c1cc(ccc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3Y9	n-{4-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-l-glutamic acid
+c1cc(ccc1CCCCc2cc3c(s2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3YA	n-{4-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-l-glutamic acid
+c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCCc2cc3c([nH]2)N=C(NC3=O)N	3YB	n-({4-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-l-glutamic acid
+c1c(csc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3YC	(s)-2-({5-[4-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-3-carbonyl}amino)pentanedioic acid
+c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	3YD	(s)-2-(7-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)heptanamido)pentanedioic acid
+c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	3YE	(s)-2-(8-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)octanamido)pentanedioic acid
+c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCc2cc3c([nH]2)N=C(NC3=O)N	3YF	(s)-2-({4-[3-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid
+c1c(csc1CCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3YG	(s)-2-({5-[3-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid
+[H]/N=C(\c1cccc(c1)c2c(con2)C(=O)Nc3ccc(cc3)c4ccccc4S(=O)(=O)N)/N	3YH	3-(3-carbamimidoylphenyl)-n-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide
+Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)C=O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O	3YI	(2s,12z,14e,16s,17s,18r,19r,20r,21s,22r,23s,24e)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
+COc1cc(ccc1O)C[C@@H](C(=O)O)N	3YM	3-methoxy-l-tyrosine
+C[C@@H]1C(=O)[C@@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O	3YN	[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl (2r,4r,6r)-4-hydroxy-6-methyl-5-oxotetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+Cc1c(ccc(c1NC(=O)c2cc3ccccc3s2)F)C4=NNC(=O)C(=C4)Nc5cc6n(n5)CCN(C6)C	3YO	n-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide
+C1CCC(C1)CCC(=O)NO	3YP	3-cyclopentyl-n-hydroxypropanamide
+Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O	3YQ	{[(3-methylpyridin-2-yl)amino]methanediyl}bis(phosphonic acid)
+c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3O[C@H]4CCNC4)F	3YR	2-(2,6-difluorophenyl)-n-{4-[(3s)-pyrrolidin-3-yloxy]pyridin-3-yl}-1,3-thiazole-4-carboxamide
+c1cc(c(cc1NC(=O)c2ccc(cn2)F)[C@]34COC[C@H]3CSC(=N4)N)F	3YS	n-{3-[(4as,7as)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
+c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N	3YT	2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-{[3-(2h-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide
+c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc4c(c3)[nH]nc4N)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl	3YU	(2e)-n-{(1s)-1-[4-(3-amino-1h-indazol-6-yl)-1h-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enamide
+c1cc(cc(c1)n2nccn2)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N	3YV	3-{[(1r,2s)-2-aminocyclohexyl]amino}-5-{[3-(2h-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](CO)O)CO)O)O	3YW	(2s)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
+c1cc2cc[nH]c2c(c1)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N	3YX	3-{[(1r,2s)-2-aminocyclohexyl]amino}-5-(1h-indol-7-ylamino)-1,2,4-triazine-6-carboxamide
+c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)[C@@H]4C(=O)NC(=O)N4	3YY	(5r)-5-[3-(4-fluorophenyl)-1-phenyl-1h-pyrazol-4-yl]imidazolidine-2,4-dione
+Cn1c2c(cc(cc2OC)C(=O)N3CC[C@H]([C@H](C3)N)O)nc1c4cc5cccnc5n4CC6CC6	3YZ	[(3s,4r)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1h-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1h-benzimidazol-5-yl}methanone
+CCn1c(cc2c1nccc2)c3nc4cc(cc(c4n3C)OC)C(=O)N5CCC[C@H](C5)N	3Z0	[(3r)-3-aminopiperidin-1-yl][2-(1-ethyl-1h-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1h-benzimidazol-5-yl]methanone
+Cc1ccc(c(c1c2ccc3c(c2)cnc(n3)NC)N)C(=O)Nc4ccc(c(c4)C(F)(F)F)OC	3Z1	2-amino-n-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
+CN1C(=C(C(=O)N1c2ccccc2)C(=O)Nc3ccc(cn3)Oc4ccnc5c4cc(c(c5)OC)OC)c6ccncc6	3Z2	n-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1h-pyrazole-4-carboxamide
+Cc1ccc(c(c1c2ccc3c(c2F)cnc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6	3Z3	4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
+Cc1ccc(c(c1c2ccc3c(c2)sc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6	3Z4	4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
+Cc1ccc(c(c1c2ccc3c(c2)ccc(n3)C)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6	3Z5	4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
+Cc1nc(c2c(cn(c2n1)C)c3ccc4c(c3)CCN4C(=O)Cc5cc(cc(c5)F)C(F)(F)F)N	3Z6	1-[5-(4-amino-2,7-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
+COc1cc(ccc1O)Br	3Z7	4-bromo-2-methoxyphenol
+c1cc2c(cc1Cl)C(=O)NCC2	3Z8	7-chloro-3,4-dihydroisoquinolin-1(2h)-one
+CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccc(c(c3)OC)OC)Nc4ccc5c(c4)C(=O)NCC5)NC(=O)OC	3Z9	methyl {3-[(2r)-1-{(2r)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate
+CN(C(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O)O	3ZA	(4r)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-l-glutamic acid
+c1cc2c(cc1Cl)cc([nH]2)C(=O)O	3ZB	5-chloro-1h-indole-2-carboxylic acid
+CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC	3ZC	6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-n-methylnaphthalene-1-carboxamide
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N	3ZD	(2r)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide
+c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N	3ZE	{2-[(3s,4r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
+c1nc2c(n1[C@H]3CCN(C3)C(=O)CP(=O)(O)O)N=C(NC2=O)N	3ZF	{2-[(3s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
+c1cc2cnccc2cc1NC(=O)NCC(=O)N3CCCC3	3ZG	1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea
+c1ccc(cc1)CCCCCCCCN2CN(C=C2C[C@@H](C(=O)O)N)CCCCCCCCCCC(=O)O	3ZH	11-{4-[(2s)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1h-imidazol-1-yl}undecanoic acid
+CC(C)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC	3ZJ	n-({(3s,4s)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-n-(propan-2-yl)benzamide
+Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CNC[C@H]2CN(C(C)C)C(=O)c3ccc(c(c3)OCCCOC)OC	3ZK	4-methoxy-3-(3-methoxypropoxy)-n-{[(3s,4s)-4-{[(4-methylphenyl)sulfonyl]amino}pyrrolidin-3-yl]methyl}-n-(propan-2-yl)benzamide
+C=C(C(=O)/C=C\NCCCC[C@@H](C(=O)O)N)N	3ZL	n~6~-[(1z)-4-amino-3-oxopenta-1,4-dien-1-yl]-l-lysine
+Cc1c(sc(n1)[C@H]([C@H]2CCCCN2)NC(=O)c3ccc([nH]3)c4ccc(cc4)Cl)CO	3ZM	5-(4-chlorophenyl)-n-{(s)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2r)-piperidin-2-yl]methyl}-1h-pyrrole-2-carboxamide
+CC(C)N(C[C@@H]1CNC[C@H]1OC(=O)NCc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC	3ZN	(3s,4s)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC(=O)NC2=O	3ZO	2'-deoxy-xanthosine-5'-monophosphate
+CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)O)OC	3ZP	2-[(4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-[(2r,3r,4r,5s,6r)-4-(dimethylamino)-5-[(2s,4r,5s,6s)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2r,3r,4r,5s,6r)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal
+C1CC[C@@H]([C@H](C1)O)O	3ZQ	(1s,2s)-cyclohexane-1,2-diol
+CCOP(=O)([C@H]([C@H](CC1=CC=NC1=O)NC(=O)[C@H](CC2CCCCC2)NC(=O)OCc3cccc(c3)Cl)O)OCC	3ZR	diethyl [(1r,2s)-2-[(n-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-l-alanyl)amino]-1-hydroxy-3-(2-oxo-2h-pyrrol-3-yl)propyl]phosphonate
+C1C[C@@H]2[C@H](C1)O2	3ZS	(1r,5s)-6-oxabicyclo[3.1.0]hexane
+COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(cc3)N	3ZU	(2s)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3h-indol-3-one
+COc1ccc(cc1)C2=Nc3ccc(cc3C2=O)OC	3ZV	5-methoxy-2-(4-methoxyphenyl)-3h-indol-3-one
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[In]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O	3ZZ	protoporphyrin ix containing indium
+CC[C@H](c1ccccc1)NC(=O)c2cc3c(s2)c(n[nH]3)NC(=O)c4ccc(cc4)N5CCN(CC5)C	400	3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-n-[(1r)-1-phenylpropyl]-1h-thieno[3,2-c]pyrazole-5-carboxamide
+CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc(cc2F)C(F)(F)F)OC)C(=O)O	401	(2s)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid
+C1NC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	402	dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethanethiolatato-1kappas:2kappas)-mu-(oxomethylidene)diiron(2+)
+c1ccc(c(c1)N2CCN(CC2)C(=O)[C@@H]([C@H](C(=O)NCCc3cccs3)O)O)Cl	403	(2r,3r)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-n-(2-thiophen-2-ylethyl)butanamide
+CC[C@H](CO)Nc1nc2c(c(n1)NCc3ccccc3)[nH]nc2C(C)C	404	(2r)-2-{[7-(benzylamino)-3-(propan-2-yl)-1h-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol
+c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F	405	(3s)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
+Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)C[N@@]5CC[C@@H](C5)N(C)C	406	n-[3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3s)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl) benzamide
+Cc1cc(ccc1F)S(=O)(=O)N[C@H](C)C(=O)NO	407	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+c1ccc(cc1)[C@@H](CCN)Oc2ccc(cc2)C(F)(F)F	408	(3r)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
+C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)ncnc3N)N)O	409	n-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide
+C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1ncnc2N)N	40A	n-[(2s)-2-aminopropyl]-n-[(6-amino-9h-purin-9-yl)acetyl]glycine
+c1ccc(cc1)c2cccc(c2)c3cccc(c3)C(O)(P(=O)(O)O)P(=O)(O)O	40B	[hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid)
+C[C@@H](CN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N)N	40C	n-[(4-amino-2-oxopyrimidin-1(2h)-yl)acetyl]-n-[(2s)-2-aminopropyl]glycine
+CNCCC(c1ccccc1)Oc2ccc(cc2Br)C(F)(F)F	40D	3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-n-methyl-3-phenyl-propan-1-amine
+CC(C)NC(=O)C(=O)O	40E	oxo(propan-2-ylamino)acetic acid
+C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N	40F	(1s,2s,5r,6s)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
+C[C@@H](CN(CC(=O)O)C(=O)Cn1cnc2c1N=C(NC2=O)N)N	40G	n-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)acetyl]-n-[(2s)-2-aminopropyl]glycine
+C1CC12C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N	40H	(1r,4s,5s,6s)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O	40J	1,6-dichloro-1,6-dideoxy-beta-d-fructofuranosyl 4-chloro-4-deoxy-alpha-d-galactopyranoside
+c1cc(sc1)c2nnc3n2N=C([C@@H](S3)CC(=O)O)c4ccc(cc4)Cl	40K	[(7s)-6-(4-chlorophenyl)-3-(thiophen-2-yl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
+CC[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4	40L	5-fluoro-3-phenyl-2-[(1s)-1-(7h-purin-6-ylamino)propyl]quinazolin-4(3h)-one
+CCC(=O)Nc1cccc(c1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl)C	40M	n-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide
+c1ccc(c(c1)C2=CC(=O)c3cc4c(cc3N2)OCO4)F	40N	6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one
+C1CC[C@H]([C@@H](C1)O)O	40O	(1r,2r)-cyclohexane-1,2-diol
+C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O	40P	pinnatoxin a
+c1cc(ccc1C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N	40Q	4-({[(6s)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid
+CCCCn1cncn1	40R	1-butyl-1h-1,2,4-triazole
+CC(CCO)CCO	40S	3-methylpentane-1,5-diol
+CC1=CN(C(=O)NC1=O)CC(=O)N(C[C@H](C)N)CC(=O)O	40T	n-[(2s)-2-aminopropyl]-n-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]glycine
+CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC3CC3	40U	n-{(2r)-1-[(4s)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide
+COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4cc(c5cccnc5c4O)[N+](=O)[O-]	40V	n-{[(3r)-1-(2,3-dihydro-1h-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-n-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(cc3)C(=O)N	40W	4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide
+CCC[C@H]1Cc2c(c3c(n2-c4cc(c(cc4O1)C(=O)N)Cl)CC(CC3=O)(C)C)C	40X	(6s)-2-chloro-8,11,11-trimethyl-9-oxo-6-propyl-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(cc4OCC2)C(=O)N	40Y	8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide
+Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4cc(c(cc4N(CC2)Cc5ccco5)C(=O)N)Cl	40Z	2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5h-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide
+c1ccc(cc1)C(=O)N(c2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C4CCCCC4	410	4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid
+[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccc(cc2)NC(=O)c3cccc(c3)Br)c4ccccc4	411	3-bromo-n-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide
+[H]/N=C(\N)/NCCc1ccc(cc1)B2OC[C@H](O2)CO	412	(r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine
+COc1cc(ccc1OCc2ccccc2)[C@H](C(=O)N[C@@H](c3ccccc3)C(=O)O)Nc4ccc(cc4)C(=N)N	413	(s)-[(r)-2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoyl-phenylamino)-acetylamino]-phenyl-acetic acid
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@@](=O)([C@H](C2CCCCC2)NC(=O)OCc3ccccc3)O	414	(5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccccc2	415	1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea
+CC(C)(C)c1cc2c(cc1Cl)C=C([C@H](O2)C(F)(F)F)C(=O)O	416	(2s)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid
+c1c(c(cc(c1F)F)F)[C@H]2CC[C@@H](C[C@@H]2N)[N@@]3CCn4c(nnc4C(F)(F)F)C3	417	(1s,2r,5s)-5-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-2-(2,4,5-trifluorophenyl)cyclohexanamine
+COC(=O)c1c(cccc1OCCCCNC(=O)[C@H](Cc2ccc(cc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)OCC=C)O	418	2-{4-[2-(s)-allyloxycarbonylamino-3-{4-[(2-carboxy-phenyl)-oxalyl-amino]-phenyl}-propionylamino]-butoxy}-6-hydroxy-benz oic acid methyl ester
+C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)C(c3ccccc3)c4ccccc4)C(C)(C)C)NC	419	n-[(3ar,6s,6as)-1-(n-methyl-l-alanyl-3-methyl-l-valyl)octahydrocyclopenta[b]pyrrol-6-yl]-2,2-diphenylacetamide
+CC1(Cc2c(sc(n2)N3CCOCC3)C(=O)C1)C	41A	5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4h)-one
+c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)NC4CCOCC4)F)Cl	41B	1-[(1s)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1h)-one
+c1cc[n+](c(c1)CCO)CCCS(=O)(=O)[O-]	41D	3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate
+CC(=O)c1ccc(s1)C(=O)N2CCC(CC2)CCC(=O)Nc3cccc(c3)OC	41E	3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-n-(3-methoxyphenyl)propanamide
+c1ccc(cc1)N2CCN(CC2)C(=O)Nc3ccc4c(c3)nns4	41F	n-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide
+Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)O)O	41G	5-[2-(2-azanyl-7-methyl-6-oxidanylidene-1h-purin-9-ium-9-yl)ethanoyl]-2-oxidanyl-benzoic acid
+C[C@@H](c1ccccc1)[C@@H](C(=O)O)N	41H	(betas)-beta-methyl-l-phenylalanine
+c1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl	41I	4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide
+C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C	41J	pinnatoxin g
+C[C@]1(N[C@@H](CS1)C(=O)O)C(=O)O	41K	(2r,4r)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
+c1ccc(cc1)CC(=O)Nn2cnc3c2cccc3	41L	n-(1h-benzimidazol-1-yl)-2-phenylacetamide
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)N)N)NC(=O)N2	41M	n~6~-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}-l-lysinamide
+CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)OCO4	41N	1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone
+c1cc(cc(c1)Cl)C(=O)N2CCN(CC2)c3ccc4c(c3)C=CC4=O	41O	5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1h-inden-1-one
+COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)OC	41P	2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide
+[H]/N=C(/C[C@@H](C(=O)O)N)\O	41Q	4-imino-l-homoserine
+Cc1cc(ccc1F)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO	41R	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-(2-methylpropyl)-d-valinamide
+CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(c(c1)OC)F	41S	n~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-n-hydroxy-n~2~-(2-methylpropyl)-d-valinamide
+CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1cccc(c1)COC	41T	n-hydroxy-n~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-n~2~-(2-methylpropyl)-d-valinamide
+CNCC[C@@H](c1ccccc1)Oc2ccccc2OC	41U	nisoxetine
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C/C=C3C[C@H](C[C@@H](C3)O)O)C	41V	(1r,3r,7z,14beta,17alpha)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C3C[C@H](C[C@@H](C3)O)O)C	41W	(1r,3r)-5-[(2z)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
+CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CNCCO3	41X	(2r)-2-[(r)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine
+C[C@@H]1c2ccc(c(c2CCN1[C@@H](C)c3ccc(cc3)C(C)C)c4cc(c(c(c4)F)O)NCC(C)C)OC	41Y	2-fluoro-4-[(1r)-6-methoxy-1-methyl-2-{(1s)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol
+Cc1cccc(c1CNc2cc(nc3c2cccc3C(=O)N)C)C	41Z	4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI	420	n-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]-2-iodoacetamide
+[H]/N=C(\c1ccc2cc(cc(c2c1)NC(=O)c3cccc(c3C)O)C(=O)OC)/N	421	6-carbamimidoyl-4-(3-hydroxy-2-methyl-benzoylamino)-naphthalene-2-carboxylic acid methyl ester
+c1cc2c(cc1CN3CCC(CC3)CN)cc([nH]2)c4c5ccc(cc5[nH]n4)C#N	422	3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)-1h-indazole-6-carbonitrile
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2cn(nn2)CCN(CCn3cc(nn3)CO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O	423	(1-{2-[bis(2-{4-[({(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl}oxy)methyl]-1h-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)methyl (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)Cl)S(=O)(=O)c5ccccc5Cl	424	(2s,4r)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCCc2cn(nn2)CCN(CCn3cc(nn3)CCO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CCO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O	425	2-(1-{2-[bis(2-{4-[2-({(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1h-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)ethyl (6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranosidonic acid
+[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3cccc(c3)OC4CCCC4)\N	426	6-[(z)-amino(imino)methyl]-n-[3-(cyclopentyloxy)phenyl]-2-naphthamide
+[H]/N=C(\N)/Nc1ccc(cc1)B2OC[C@H](O2)CO	427	(r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenyl)guanidine
+CC(C)c1cn2c(n1)ccc(n2)O	428	2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol
+CC(=O)N[C@@H](Cc1ccc(c(c1)O)OCC(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O	429	2-{4-[2-acetylamino-3-(4-carboxymethoxy-3-hydroxy-phenyl)-propionylamino]-butoxy}-6-hydroxy-benzoic acid methyl ester
+c1cc2c(c[nH]c2nc1)C#N	42A	1h-pyrrolo[2,3-b]pyridine-3-carbonitrile
+C(CN)[C@H](C(=O)O)O	42B	4-amino-2-hydroxybutanoic acid
+CN(C)c1c2c(nc[nH]2)ncn1	42C	n,n-dimethyl-7h-purin-6-amine
+COC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	42D	3,5-dideoxy-5-[(methoxycarbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=CC(=NC2=O)N	42E	[(2r,5s)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
+CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)I)C(=O)OC	42F	methyl (1r,2s,3s,5s)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
+CC(C)NC[C@H](COc1ccc(cc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N)O	42G	4-{(2r)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-n-[2-(4-sulfamoylphenyl)ethyl]benzamide
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O	42H	(4r,7r,18z)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide
+c1ccc(cc1)C(=O)Nc2c3ccc(cc3[nH]n2)c4ccc(cc4)O	42I	n-[6-(4-hydroxyphenyl)-1h-indazol-3-yl]benzamide
+c1cc(c(cc1CCN)Cl)Cl	42J	2-(3,4-dichlorophenyl)ethanamine
+c1cc(ccc1N/N=C\2/c3c(ccc4c3nn[nH]4)NC2=O)S(=O)(=O)N	42K	4-[(2z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide
+CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)F)C(=O)OC	42L	methyl (1r,2s,3s,5s)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
+COc1cc(ccc1Oc2ccc(cc2[N+](=O)O)[N+](=O)O)CO	42M	{4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzene-1,3-diyl}bis[hydroxy(oxo)ammonium]
+c1ccc2c(c1)cccc2CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O	42O	(3~{r})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+COCCCNc1nc(c(c(n1)Cl)c2nc3ccccc3s2)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO	42P	(1r,2s,3r,5r)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol
+Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F	42Q	1-{2-fluoro-4-[(5-methyl-5h-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
+C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O	42R	(3s)-6-(4-bromophenyl)-3-hydroxy-1,3-dimethyl-2,3-dihydropyridin-4(1h)-one
+c1ccc(cc1)N/C(=N\O)/c2cccc(c2)C(F)(F)F	42S	n'-hydroxy-n-phenyl-3-(trifluoromethyl)benzenecarboximidamide
+c1ccc(cc1)/N=C(\c2cc(cc(c2)NC(=O)Nc3c(cccc3Cl)Cl)C(F)(F)F)/NO	42T	3-{[(2,6-dichlorophenyl)carbamoyl]amino}-n-hydroxy-n'-phenyl-5-(trifluoromethyl)benzenecarboximidamide
+c1cc(ccc1c2c(c[nH]n2)c3ccc(c(c3)C(F)(F)F)NCCN4CCNCC4)F	42U	4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]-n-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline
+CN1C(=O)/C(=C\C2=CNC(=O)C=C2)/NC1=S	42V	5-[(e)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1h)-one
+CN1C(=O)C(=CC2=CN(C(=O)C=C2)Cc3ccccc3)NC1=S	42W	(e)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1h)-one
+CCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	42X	n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-[2-(propanoylamino)ethyl]-beta-alaninamide
+CCC(=O)OC[C@@H](C(=O)O)N	42Y	o-propanoyl-l-serine
+c1c2c(cc(c1Cl)Cl)nc([nH]2)C(=O)NCC(=O)O	42Z	n-[(5,6-dichloro-1h-benzimidazol-2-yl)carbonyl]glycine
+C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cccc4	430	5-(1h-benzimidazol-1-yl)-3-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide
+Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2	431	2-(4-methylphenyl)-4h-chromen-4-one
+CCCC(=O)OC[C@@H](C(=O)O)N	432	o-butanoyl-l-serine
+CC(C)(C(=O)O)Oc1ccc(cc1)CCCN(CCc2c(cccc2Cl)F)C(=O)Nc3cccc(c3Cl)Cl	433	2-(4-{3-[1-[2-(2-chloro-6-fluoro-phenyl)-ethyl]-3-(2,3-dichloro-phenyl)-ureido]-propyl}-phenoxy)-2-methyl-propionic acid
+Cc1ccc2c(c1)C(=O)[C@]3(C2=O)[C@@H]([C@@H]([C@@H](O3)c4ccc(c(c4)Cl)Cl)C(=O)Nc5ccc(cc5)c6csnn6)C(=O)O	434	spiro[3-carboxy-4-{(4-[1,2,3]thiadiazol-4-yl-phenyl)-amino-carbonyl} -5-[3,4-dichloro-phenyl]-tetrahydrofuran-2,2'-5-methyl-indan-1,3-dione]
+Cc1cc(cc(c1O)C)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3	435	4-[(e)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide
+CC[C@H](C(=O)N1C[C@H](C[C@H]1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)F)O)NC(=O)[C@H](C)NC	436	(2s)-n-{(2r)-1-[(2r,4s)-2-{[6,6'-difluoro-3'-({(2r,4s)-4-hydroxy-1-[(2s)-2-{[(2s)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1h,1'h-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide
+CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3cccc4c3cccc4	437	1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1h-pyrazol-5-yl}-3-naphthalen-1-ylurea
+CN(C)c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)c4cccc(c4)CN)F)N5CC[C@H](C5)N(C)C)F)C(=O)O	438	2-[(6-{[3'-(aminomethyl)biphenyl-3-yl]oxy}-4-[(3r)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-difluoropyridin-2-yl)oxy]-4-(dimethylamino)benzoic acid
+CN(C)[C@@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl	439	6-chloro-n-{(3s)-1-[(1s)-1-(dimethylamino)-2,3-dihydro-1h-inden-5-yl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide
+COc1cc(ccc1O)c2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4	43A	(3z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1h-pyrrol-2-ylmethylene)-1,3-dihydro-2h-indol-2-one
+c1ccc(cc1)CCc2nc3cc(ccc3s2)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NCCSc6ccccc6	43B	3-nitro-n-{4-[2-(2-phenylethyl)-1,3-benzothiazol-5-yl]benzoyl}-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide
+Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4ccccc4	43C	4-{1-[2-(4-methyl-1h-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1h-imidazol-5-yl}benzonitrile
+Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C	43D	4-{4-(1-methyl-1h-pyrazol-4-yl)-1-[2-(4-methyl-1h-1,2,3-triazol-1-yl)ethyl]-1h-imidazol-5-yl}benzonitrile
+c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl	43E	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea
+COc1cc(ccc1Oc2ccc(cc2Cl)Cl)CCl	43F	2,4-dichloro-1-[4-(chloromethyl)-2-methoxyphenoxy]benzene
+c1ccc(cc1)c2cccc(c2)N3C=CC(=O)C(=C3)O	43G	1-(biphenyl-3-yl)-3-hydroxypyridin-4(1h)-one
+B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O	43H	[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
+CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3	43J	2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3h)-one
+c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)c6ccnc(c6)F	43K	(5s)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
+c1cc(cc(c1)Br)[C@@H]2C[C@@H](n3c(nnn3)N2)c4cccc(c4)Br	43L	(5s,7r)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
+Cc1cc(ccc1Cl)O	43M	4-chloro-3-methylphenol
+CCNc1cc(cc(c1C(=O)O)Oc2cccc(c2)Cl)[C@@H](c3ccccc3)N4CCC[C@@H](C4)N5C=C(C(=O)NC5=O)C	43N	2-(3-chlorophenoxy)-6-(ethylamino)-4-[(r)-[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid
+Cc1c(c2cc(ccc2[nH]1)O)CCNC(=O)COC	43O	n-[2-(5-hydroxy-2-methyl-1h-indol-3-yl)ethyl]-2-methoxyacetamide
+CCc1cc(c(cc1O)O)c2c(c[nH]n2)c3c[nH]cn3	43P	4-(1h-imidazol-4-yl)-3-(5-ethyl-2,4-dihydroxy-phenyl)-1h-pyrazole
+C[C+](CO)[C@@H](COP(=O)(O)OP(=O)(O)O)O	43Q	(3s)-1,3-dihydroxy-4-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate
+CC(=O)Nc1nc2c(s1)CN(CC2)c3cc(cnc3)OC	43R	n-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
+c1coc2c1cc(cc2c3c4c([nH]cn4)nc(n3)N)Br	43S	6-(5-bromo-1-benzofuran-7-yl)-9h-purin-2-amine
+C[C@@H](c1ccccc1)NC(=O)c2cc(cc(c2)F)CN3C(=O)C[C@@](N=C3N)(C)C(C)C	43T	3-{[(4s)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4h)-yl]methyl}-5-fluoro-n-[(1s)-1-phenylethyl]benzamide
+COc1ccc(cc1c2c3c([nH]cn3)nc(n2)N)Br	43U	6-(5-bromo-2-methoxyphenyl)-9h-purin-2-amine
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)c3ccccc3)c4cc(ccc4Cl)Cl	43V	n-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide
+C#CCCOP(=O)(O)OP(=O)(O)O	43W	but-3-yn-1-yl trihydrogen diphosphate
+C1[C@H](O[C@H](S1)COP(=O)(O)O)N2C=C(C(=NC2=O)N)F	43X	[(2r,5s)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
+CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC	43Y	[(2r)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate
+c1cc(c(c(c1)F)Cl)CNC(=O)C2C[C@H]([C@H](C2)O)O	43Z	optactamide
+CC#CCOc1ccc(cc1)S(=O)(=O)CCCS	440	3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol
+c1ccc(cc1)CCNC(c2cc(ccc2O)Oc3c(cc(cc3Br)CC(O)O)Br)O	442	2-[3,5-dibromo-4-(4-hydroxy-3-{hydroxy[(2-phenylethyl)amino]methyl}phenoxy)phenyl]ethane-1,1-diol
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)C[C@H](C(=O)N3CCC(CC3)N4CCCNC4=O)O	443	1-(1-{(2s)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1h)-one
+c1ccc(cc1)S(=O)(=O)[N@@](CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O	444	n-(2,2,2-trifluoroethyl)-n-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide
+c1ccc(cc1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	445	n-[oxo(phenylamino)acetyl]-beta-d-glucopyranosylamine
+COC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)NC(=O)CCC(=O)O)Br)c4ccccc4	446	4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1h)-yl]methyl}phenyl)amino]-4-oxobutanoic acid
+COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5	447	n-(4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide
+C[C@@H]1c2nc(nn2CCN1C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F	448	(2r)-4-[(8r)-8-methyl-2-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrazin-7(8h)-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine
+C[N+]1(CCC(CC1)C(=O)O)C	449	4-carboxy-1,1-dimethylpiperidin-1-ium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)N	44A	9-beta-d-ribofuranuronosyl-9h-purin-6-amine
+c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)NCC(F)(F)F	44B	1,1,1,3,3,3-hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O	44C	4'-(4-{4-[(2-carboxyphenyl)amino]phenoxy}butoxy)-1,1'-biphenyl-4-carboxylic acid
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2O)O[C@H]3C[C@@](Cc4c3c(c5c(c4O)C(=O)c6ccccc6C5=O)O)(C(=O)CO)O)C)N)O	44D	7-[5-(4-amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-4-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy]-6,9,11-trihydroxy-9-(2-hydroxy-acetyl)-7,8,9,10-tetrahydro-naphthacene-5,12-dione
+CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC	44E	(2r)-3-(phosphonooxy)propane-1,2-diyl dihexanoate
+COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccsc2	44F	1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea
+CCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC	44G	(2s)-3-{[(r)-{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
+C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN(C2)CCNC)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl	44I	6-chloro-n-{(3s)-1-[(2s)-1-{(1r,5s)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@@H]([C@@H]3O)O)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N	44J	n-({[(1r,2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](C3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N	44K	n-({[(1r,3s)-3-(6-amino-9h-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N	44L	2',5'-dideoxy-2'-fluoro-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N	44M	2'-azido-2',5'-dideoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
+C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O	44N	2'-c-methyl-5'-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3CNC[C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N	44O	[(2s,6r)-6-(6-amino-9h-purin-9-yl)morpholin-2-yl]methyl {5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(CP(=O)(O)O)O)O)O	44P	5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N	44Q	3',5'-dideoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
+c1nc(c2c(n1)n(cn2)COCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N	44R	n-({2-[(6-amino-9h-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+C1[C@H]([C@@H](O[C@H]1O)[C@@H](COP(=O)(O)O)O)O	44S	2-deoxy-6-o-phosphono-beta-d-lyxo-hexofuranose
+CCc1ccncc1CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O	44T	7-[5-s-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N	44U	beta-phenyl-d-phenylalanyl-n-propyl-l-prolinamide
+C[C@H]1CNC2=C(N1)C(=O)NC(=N2)N	44V	(6s)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3h)-one
+CC1=NC2=C(NC1)N=C(NC2=O)N	44W	2-amino-6-methyl-7,8-dihydropteridin-4(3h)-one
+Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)F	44X	6-{(1s)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)OC)OC	44Z	4-[[(4s,5r)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(N2Cc3cccc(c3)N)O)Cc4cccc(c4)N)Cc5ccccc5)O)O	450	{[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([3-amino)phenyl]methyl-4,7-bia(phenylmethyl)-2h-1,3-diazepinone
+CC(=O)Nc1ccc2c(c1)OCCOCCOc3ccccc3OCCOCCO2	451	n-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide
+CC(=O)c1cc(c(cc1NCC(=O)Nc2ccccc2C(=O)O)Cl)F	452	2-{[n-(2-acetyl-5-chloro-4-fluorophenyl)glycyl]amino}benzoic acid
+CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3ccccn3)F)C(=O)Nc4ccc5c(c4)cn[nH]5	453	(4s)-4-{4-fluoro-3-[(pyridin-2-ylmethyl)carbamoyl]phenyl}-n-(1h-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
+c1ccc(cc1)C2(C3=NCCCN3C(=N2)N)c4ccccc4	454	8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
+c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)N)Cl	455	(3r,4r)-1-sulfamoyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+CC(=O)Nc1nc2c(s1)CN(CC2)c3cncc(n3)OC	456	n-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
+CC1=CC[C@]2(C[C@@H]1[C@H](OC2)c3ccc(cc3)O)CO	458	4-[(1s,2s,5s)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
+CC1CC[C@@]2(CO[C@@H]([C@H]1[C@H]2C)c3ccc(cc3)O)CO	459	4-[(1s,2s,5s,9r)-5-(hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
+CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	45A	5'-o-[(s)-hydroxy(methyl)phosphoryl]adenosine
+CC(=O)N1CCN(CC1)C(=O)Cc2ccc(cc2)Nc3ncc(c(n3)Nc4ccc(cc4)C(=O)Nc5ccccc5Cl)F	45B	4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-n-(2-chlorophenyl)benzamide
+c1c(c(cc(c1Cl)Cl)O)O	45C	4,5-dichlorobenzene-1,2-diol
+CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C	45D	beta,beta-carotene-4,4'-dione
+Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC	45E	1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
+C#CCO[C@H]1C[C@H](NC1)C(=O)O	45F	(4s)-4-(prop-2-yn-1-yloxy)-l-proline
+CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C	45H	beta,beta-carotene-4,4'-dione
+c1ccc(cc1)CCNS(=O)(=O)c2cc(ccc2C(=O)O)S(=O)(=O)N	45I	2-[(2-phenylethyl)sulfamoyl]-4-sulfamoylbenzoic acid
+B1(c2c(ccs2)C(=NN1C)Cl)O	45J	4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2h)-ol
+c1cc2c(cc1N/C=C\3/c4c(ccc5c4scn5)NC3=O)CS(=O)(=O)C2	45K	(8z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7h-[1,3]thiazolo[5,4-e]indol-7-one
+Cc1cccc(c1)C(=O)NN	45L	3-methylbenzohydrazide
+c1cc(ccc1C(=O)NNC2=NCCC2)Br	45M	4-bromo-n'-(3,4-dihydro-2h-pyrrol-5-yl)benzohydrazide
+c1cc2c(cc1CNC3CCCC3)OCO2	45N	n-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
+C[C@@H]1C[C@@H](CN(C1)Cc2nc(nc(n2)N(C)C)N)C	45O	6-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]methyl}-n,n-dimethyl-1,3,5-triazine-2,4-diamine
+c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)NCc4cc(cc(c4)Cl)Cl	45P	3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-n-(3,5-dichlorobenzyl)-benzamide
+Cc1cc(ccc1N)c2cc([nH]n2)NC(=O)c3ccc(cc3)CN4CCN(CC4)C	45Q	n-[3-(4-amino-3-methylphenyl)-1h-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+COc1cc(ccc1C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)c4c[nH]nc4	45R	7-{[2-methoxy-4-(1h-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1h-3-benzazepinium
+Cc1ccc([nH]1)C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CN)Cl	45S	n-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1h-pyrrol-2-yl)carbonyl]-l-prolinamide
+c1nc2c(n1C[C@@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N	45T	{[(2s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCC3)\N	45U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide
+CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)C	45V	2-[(1s)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-n,n-dimethylacetamide
+C#CO[C@H]1C[C@@H](NC1)C(=O)O	45W	(4s)-4-(ethynyloxy)-d-proline
+c1cc(cnc1)CCN	45X	2-(pyridin-3-yl)ethanamine
+c1cc(ccc1CC(=O)NN)F	45Y	2-(4-fluorophenyl)acetohydrazide
+c1cc(c(cc1[N+](=O)[O-])C#N)Oc2ccc(cc2Oc3ccc(cc3C#N)[N+](=O)[O-])F	45Z	2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile)
+Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4	460	2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1h-pyrazol-4-yl]-1,5-naphthyridine
+C[C@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl)N(C)C	461	(e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-{4-[(1r)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide
+[H]/N=C(\N)/NC(=O)Cc1c(csc1c2ccccc2Cl)c3ccc(cc3)OCCC	462	n-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide
+CC(=O)Nc1cccc(c1)CN	463	n-[3-(aminomethyl)phenyl]acetamide
+c1cc(cc(c1)C(=O)NCCN2CCCCC2)c3cc([nH]c3)CC4=C5C=C(C=CC5=NC4=O)NC(=O)N	464	3-[5-({5-[(aminocarbonyl)amino]-2-oxo-2h-indol-3-yl}methyl)-1h-pyrrol-3-yl]-n-(2-piperidin-1-ylethyl)benzamide
+CN1c2c3c(cc(nc3c(c(c2N)Cl)N=C)C(=O)N)C1=O	465	8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide
+CCOc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)c4ccccc4	466	n-[6-(3-ethoxyphenyl)-1h-indazol-3-yl]benzamide
+CC(C)(C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F	467	n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-n-(2,2,2-trifluoroethyl)-d-alaninamide
+Cc1c(cccc1Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3	468	(3s)-n-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
+C[C@@H]1C[N@]([C@H](CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F	469	2-(6-chloro-5-{[(2r,5s)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1h-indol-3-yl)-n,n-dimethyl-2-oxoacetamide
+CCCCN(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)c4nc(cc(n4)C)C	46A	n-butyl-4,6-dimethyl-n-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}pyrimidin-2-amine
+CCCCNc1c(nc2n1cc(cc2)Br)c3ccc(cc3)OCC(=O)O	46B	{4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy}acetic acid
+CCC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)C(=O)O)Cl)c4ccccc4	46C	4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1h)-yl)methyl]benzoic acid
+C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O	46D	(4ar,6r,7s,8r,8ar)-8-((5r,6r)-3-carboxy-tetrahydro-4,5,6-trihydroxy-2h-pyran-2-yloxy)-hexahydro-6,7-dihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid)
+CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC	46E	(2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate
+COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)Cl	46F	(2r)-4-(6-chloropyridazin-3-yl)-n-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
+Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@](C)(c4ccc5c(c4)cc(cn5)OC)F)F	46G	6-{(1r)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline
+C1CCN(CC1)C(=O)[C@H]2CCCNC2	46H	(3s)-piperidin-3-yl(piperidin-1-yl)methanone
+C1CCN(CC1)C(=O)[C@@H]2CCCNC2	46J	(3r)-piperidin-3-yl(piperidin-1-yl)methanone
+CC(=O)NS(=O)(=O)c1ccc(cc1)N/C=C\2/c3c(ccc4c3scn4)NC2=O	46K	n-[(4-{[(z)-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide
+CN(C)c1ccc(cn1)C(=O)O	46L	6-(dimethylamino)pyridine-3-carboxylic acid
+C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O)O)O)C(=O)O	46M	(4ar,6r,7s,8r,8as)-hexahydro-6,7,8-trihydroxy-2-methylpyrano[3,2-d][1,3]dioxine-2-carboxylic acid
+c1cc2c(cc1[C@H]3CCCN3)OCCO2	46O	(2r)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
+Cc1c(sc(n1)N)c2nccn2C	46P	4-methyl-5-(1-methyl-1h-imidazol-2-yl)-1,3-thiazol-2-amine
+CC[C@](C)(CN)N1CCOCC1	46Q	(2r)-2-methyl-2-(morpholin-4-yl)butan-1-amine
+c1conc1C(=O)NCC(F)(F)F	46R	n-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
+Cc1cc(ncn1)N2CCCCCC2	46S	1-(6-methylpyrimidin-4-yl)azepane
+CC(C)/N=C/1\CC=CC=C\C1=N/C(C)C	46T	(1e,2e)-n,n'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCCC3)\N	46U	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide
+CNC(=S)Nc1ccc(cc1Cl)Br	46V	1-(4-bromo-2-chlorophenyl)-3-methylthiourea
+[H]/N=C(\N)/N1CCC(CC1)C	46W	4-methylpiperidine-1-carboximidamide
+C1CCN(C1)c2c(c(n[nH]2)N)C#N	46X	3-amino-5-(pyrrolidin-1-yl)-1h-pyrazole-4-carbonitrile
+Cc1cc(nc(c1C#N)NCCCN2CCOCC2)C	46Y	4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile
+c1ccc(cc1)CCO[P@](=O)(O)O[C@@H]2[C@H]([C@@H]([C@H](O2)O)F)O	46Z	(2r,3r,4s,5s)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (s)-phosphate
+CCC/C=C(\CCC)/C1=C([C@@]2(CCC[C@@H]2C1)Nc3ccccc3)c4ccccc4	470	(3as,6ar)-5-[(4e)-oct-4-en-4-yl]-n,4-diphenyl-2,3,6,6a-tetrahydropentalen-3a(1h)-amine
+CCC(=O)NC[C@H](Cc1ccc(cc1)OCCc2c(oc(n2)c3ccccc3)C)N/C(=C\C(=O)c4ccc(cc4)C(F)(F)F)/C	471	n-((2s)-2-({(1z)-1-methyl-3-oxo-3-[4-(trifluoromethyl) phenyl]prop-1-enyl}amino)-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl)propanamide
+CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cccnc4	472	(5s)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4h-imidazol-4-one
+CN(C)C(=O)[C@@H](C1CCC(CC1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CCC(C4)(F)F)N	474	(2s,3s)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-n,n-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-6-ylcyclohexyl)butanamide
+c1ccnc(c1)NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	475	n-[oxo(pyridin-2-ylamino)acetyl]-beta-d-glucopyranosylamine
+CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	476	3-butyl-1-(2,2-diphosphonoethyl)pyridinium
+CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)C(F)F)n[nH]3)O	477	3-{2-[5-(difluoromethyl)-2h-thieno[3,2-c]pyrazol-3-yl]-1h-indol-6-yl}pentan-3-ol
+CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N	478	{3-[(4-amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester
+C[C@@H](c1cccnc1)NC(=O)CCC(=O)c2cccs2	479	4-oxo-n-[(1s)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide
+c1cc(ccc1C(=O)CN)Br	47A	2-amino-1-(4-bromophenyl)ethanone
+c1cc(c(cc1c2cn3ccnc3nn2)F)F	47B	3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine
+C=CCONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	47C	2'-deoxy-n-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate)
+c1cc2c(cc1Cl)nc(s2)CN3C(=O)C=CN(C3=O)CC(=O)O	47D	{3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}acetic acid
+c1cc(cc(c1)Cl)[C@H](C(=O)O)O	47E	(2r)-(3-chlorophenyl)(hydroxy)ethanoic acid
+COc1ccc(cc1O)CN	47G	5-(aminomethyl)-2-methoxyphenol
+CC1=CC(Nc2c1cc3c(c2)OCO3)(C)C	47H	6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline
+c1cc(ccc1c2c3ccc(cc3[nH]n2)c4ccc(cc4)O)N5CC[NH2+]CC5	47I	4-[3-(4-piperazin-4-ium-1-ylphenyl)-1h-indazol-6-yl]phenol
+Cc1cc(n(n1)C)CN	47J	1-(1,3-dimethyl-1h-pyrazol-5-yl)methanamine
+CC1CCN(CC1)CC(=O)Nc2cc(no2)C(C)C	47K	2-(4-methylpiperidin-1-yl)-n-[3-(propan-2-yl)-1,2-oxazol-5-yl]acetamide
+C1CCC(CC1)C(=O)NC[C@H]2CCCO2	47L	n-[(2r)-tetrahydrofuran-2-ylmethyl]cyclohexanecarboxamide
+c1cc(oc1CN)C(F)(F)F	47M	1-[5-(trifluoromethyl)furan-2-yl]methanamine
+C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O	47N	neoagarobiose
+C[C@@H](C1CC1)N(C)CC2=Nc3ccccc3C(=O)N2	47P	2-({[(1s)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3h)-one
+c1ccnc(c1)CNc2ccc3c(c2)NC(=O)N3	47Q	5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2h-benzimidazol-2-one
+[H]/N=C(/C)\N(CC)CC	47R	(1z)-n,n-diethylethanimidamide
+CN(C)c1cccc(c1)C(=O)NN	47S	3-(dimethylamino)benzohydrazide
+CC1CCC(CC1)NC(=O)[C@H]2CCCO2	47T	(2r)-n-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide
+Cc1c(c(n(n1)C)C)CC(=O)Nc2ccccn2	47U	n-(pyridin-2-yl)-2-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide
+Cc1cc(c(o1)C)C(=O)Nc2ccncc2	47V	2,5-dimethyl-n-(pyridin-4-yl)furan-3-carboxamide
+COc1cc(ccc1C[NH+]2CC[NH2+]CC2)OCC#Cc3ccc4ccncc4c3	47W	1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium
+c1cc(c(cc1C2=COc3cc(ccc3C2=O)O)O)O	47X	3-(3,4-dihydroxyphenyl)-7-hydroxy-4h-chromen-4-one
+[H]/N=C/1\c2c(c(oc2N=CN1CCCN(C)C)C)C	47Y	3-[(4e)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4h)-yl]-n,n-dimethylpropan-1-amine
+CCCCCCCC(=O)OC[C@H](CO)O	480	(2s)-2,3-dihydroxypropyl octanoate
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCN(CC6)C	481	4-tert-butyl-n-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide
+CCCC(=O)CC(=O)N[C@H]1CCOC1=O	482	3-oxo-n-[(3s)-2-oxotetrahydrofuran-3-yl]hexanamide
+CC1CCC(CC1)NC(=O)Cn2ccnc2	483	2-(1h-imidazol-1-yl)-n-(trans-4-methylcyclohexyl)acetamide
+CCCc1cc(ccc1c2cc(ccc2C)CCc3ccc(c(c3)CO)CO)C(CC)(CC)O	484	3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N)O)O)O	485	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]- (3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)- acetic acid
+CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O	486	11-(4-dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodec ahydro-cyclopenta[a]phenanthren-3-one
+C[C@@H](c1nc(nc(n1)N(C)C)N)N2CCCCCC2	487	6-[(1s)-1-(azepan-1-yl)ethyl]-n,n-dimethyl-1,3,5-triazine-2,4-diamine
+CN1[C@@H](CS[C@@H]1[C@H]2CSC(=N2)c3ccccc3O)C(=O)O	488	(2r,4r)-2-[(4r)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid
+c1cc(ccc1[C@@H](CN)O)F	489	(1s)-2-amino-1-(4-fluorophenyl)ethanol
+c1ccc(c(c1)C(=O)Nc2ccc(cc2)Nc3c(cnc(n3)Nc4ccc(cc4)O)F)Cl	48B	2-chloro-n-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide
+C[C@H](C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N	48C	5'-(d-alanylamino)-5'-deoxyuridine
+C[C@H]1/C=C(/CCC(=O)CCCC/C=C/[C@@H]([C@H]1O)OC)\C	48D	(4e,6s,7s,8s,9e)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
+c1ccc(cc1)c2cn(nn2)[C@H](CO)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O	48E	5'-deoxy-5'-{[(2r)-3-hydroxy-2-(4-phenyl-1h-1,2,3-triazol-1-yl)propanoyl]amino}uridine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H](C(=O)CO)O)O)O)O)N	48F	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] hydrogen phosphate
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	48G	n-[(2s,3s,4r)-3,4-dihydroxy-1-{[6-o-(naphthalen-1-ylcarbamoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
+C/C(=N\CC(=O)O)/C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	48H	2-[(e)-[(4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid
+c1cc(c(cc1CN2C(=O)C=CN(C2=O)CC(=O)O)[N+](=O)[O-])Cl	48I	[3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl]acetic acid
+C(C(=O)O)(O)O	48J	dihydroxyacetic acid
+CN(C)CCNS(=O)(=O)c1ccc(cc1)N/C=C\2/c3ccccc3NC2=O	48K	n-[2-(dimethylamino)ethyl]-4-{[(z)-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}benzenesulfonamide
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cc(ccc5F)Br)OC	48L	4-({(4s,5r)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)C#N	48M	4-[(4s,5r)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile
+C[C@@H](C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)/N=C/C(=O)O	48N	(2e)-2-[(2s,4r)-5-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-yl]iminoethanoic acid
+CC(C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N=[N+]=N	48O	5'-deoxy-5'-{[(2s)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine
+C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)CO)O)O	48P	(1r,4r,5r)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid
+CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCC2)C(=O)N/C(=C\c3ccccc3)/[C@@H](CNC(C)(C)c4cccc(c4)OC)O	48Q	~{n}1-[(~{z},3~{r})-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-but-1-en-2-yl]-5-piperidin-1-yl-~{n}3,~{n}3-dipropyl-benzene-1,3-dicarboxamide
+C[C@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)NS(=O)(=O)C	48R	(2r)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methyl-n-(methylsulfonyl)propanamide
+Cc1ccc(cc1)[C@@H](CC(=O)N(C)O)CP(=O)(O)O	48S	[(2r)-4-[hydroxy(methyl)amino]-2-(4-methylphenyl)-4-oxobutyl]phosphonic acid
+c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	48T	l-gamma-glutamyl-s-(2-biphenyl-4-yl-2-oxoethyl)-l-cysteinylglycine
+CN(C)C(=O)c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl	48U	4-[(3s)-3-({[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-n,n-dimethylbenzamide
+C([C@@H](C(=O)N)N)SCC(=O)O	48V	{[(2r)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid
+C[C@@H](C(=O)N1CCC(=O)N(CC1)C)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl	48W	6-chloro-n-{(3s)-1-[(2s)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide
+C(COP(=O)(O)O)C(=O)O	48X	3-(phosphonooxy)propanoic acid
+C(CC(=O)O)[C@@H]([C@H](C(=O)O)O)C(=O)O	48Y	(1r,2s)-1-hydroxybutane-1,2,4-tricarboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O[P@](=O)(O)S	48Z	2-deoxy-2-fluoro-5-o-thiophosphono-alpha-d-arabinofuranose
+Cn1cc(c(n1)COc2ccc(cc2)c3cccc4c3ncn4C)C5=CN(C(=O)C=C5)C	490	1-methyl-5-(1-methyl-3-{[4-(1-methyl-1h-benzimidazol-4-yl)phenoxy]methyl}-1h-pyrazol-4-yl)pyridin-2(1h)-one
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C	491	2-acetamido-3-o-[(1r)-1-carboxyethyl]-2-deoxy-1-o-phosphono-alpha-d-glucopyranose
+c1cc(sc1)c2ccc(s2)CN	492	1-(2,2'-bithiophen-5-yl)methanamine
+CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)OCC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	493	{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-phosphono-phenoxy}-acetic acid
+c1cc(c(cc1Cl)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N	494	(2e)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+c1ccc2c(c1)C(=O)NN=C2Cl	495	4-chlorophthalazin-1(2h)-one
+c1c(c(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F)CO	496	2-({[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CC[C@H]1CNCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N	497	6-[amino(imino)methyl]-n-[(4r)-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl]-2-naphthamide
+c1cc(ccc1n2c(cnn2)C34C5=C6[Ru]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N	498	p-(5-ruthenocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide
+c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N	499	5-[5-(1h-indol-3-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)N	49A	4,9-amino-2,4-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
+c1ccc2c(c1)cc(cn2)c3cc(c(nc3)N)C4=NNC(=S)O4	49B	5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3h)-thione
+c1ccc2c(c1)CC[C@@]23CC(=C(C(=O)O3)Sc4ccccc4Cl)O	49C	(1r)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'h)-one
+C[C@@H](c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2	49D	6-{[(1s)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CC(c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2	49E	6-{[(1r)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+COCC[C@@H]1CCCN1	49F	(2s)-2-(2-methoxyethyl)pyrrolidine
+Cn1ccc(n1)CNCCc2ccccc2	49G	n-[(1-methyl-1h-pyrazol-3-yl)methyl]-2-phenylethanamine
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5cccc(c5)Cl)OC	49H	4-({(4s,5r)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one
+COc1cc(ccc1N)c2cc3c(c(sn3)N4CCOCC4)nc2	49J	2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline
+CN(CCN)Cc1cn[nH]c1c2ccc(cc2)F	49K	n-{[5-(4-fluorophenyl)-1h-pyrazol-4-yl]methyl}-n-methylethane-1,2-diamine
+CNCCN(C)Cc1c[nH]nc1c2ccc(cc2)OC3CC(C3)OCCC4CCOCC4	49L	n,n'-dimethyl-n-({3-[4-({trans-3-[2-(tetrahydro-2h-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1h-pyrazol-4-yl}methyl)ethane-1,2-diamine
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](/C=C/[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	49M	(1r)-1,5-anhydro-1-[(1e,3s,4s,5r)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-d-galactitol
+c1cc(c(nc1)N2CCNCC2)C(F)(F)F	49N	1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
+c1cc(c(nc1)N2CCNCC2)C#N	49O	2-(piperazin-1-yl)pyridine-3-carbonitrile
+c1cc(cc(c1)n2cc(cn2)O)C(F)(F)F	49P	1-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-ol
+c1ccc(cc1)COc2ccc(cc2)CCCO	49Q	3-[4-(benzyloxy)phenyl]propan-1-ol
+CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2NC1	49R	tert-butyl (3r)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O	49S	2-acetamido-2-deoxy-beta-d-mannopyranuronic acid
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C)O)O	49T	2-acetamido-2-deoxy-alpha-d-fucopyranose
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCC3)/N	49U	(s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
+CC(=O)N[C@H]1[C@H](C=C(OC1O)C(=O)O)O	49V	2-acetamido-2,4-dideoxy-alpha-l-erythro-hex-4-enopyranuronic acid
+CCCN(CCC)C(=O)c1cc(cc(c1)N2CC=CC=C2)C(=O)N[C@@H](Cc3ccccc3)[C@H](CNC(C)(C)c4ccccn4)O	49W	n'-[(2s,3s)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-n,n-dipropyl-5-(pyridin-1(2h)-yl)benzene-1,3-dicarboxamide
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](/C=C/[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O	49X	(1r)-1,5-anhydro-1-{(1e,3s,4s,5r)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-d-galactitol
+CCCCCCCCCCCCCC[C@@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CC/C=C\CCCC[C@@H]2C[C@H]2CCCCCCCCCC)O)O	49Y	(4z)-9-[(1r,2r)-2-decylcyclopropyl]-n-[(2s,3s,4s)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide
+Cc1ccc(s1)CNCCc2ccccc2F	49Z	2-(2-fluorophenyl)-n-[(5-methylthiophen-2-yl)methyl]ethanamine
+c1ccc(c(c1)CNCCC23CC4CC(C2)CC(C4)C3)O	4A0	2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol
+CCCS(=O)(=O)Nc1ccccc1C(=O)O	4A1	2-[(propylsulfonyl)amino]benzoic acid
+COc1ccc(cc1F)/N=C/2\Nc3cc(ccc3N2Cc4ccccc4C(F)(F)F)C(=O)O	4A2	(2e)-2-(3-fluoranyl-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl]-3h-benzimidazole-5-carboxylic acid
+c1cc(c(cc1C(=O)O)O)N	4A3	4-amino-3-hydroxybenzoic acid
+c1c(c(nn1CC(=O)O)C2CC2)Br	4A5	(4-bromo-3-cyclopropyl-1h-pyrazol-1-yl)acetic acid
+CC(=C12=C3[Ru]1456C2=C4C5(=C63)=C)C	4A6	[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]ruthenium
+CN1c2ccc(cc2CCC1=O)NS(=O)(=O)c3ccc(cc3OC)OC	4A7	2,4-dimethoxy-n-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
+CN1c2ccc(cc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3)OC	4A8	n-(1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
+Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F	4A9	2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-n-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide
+c1cc(c(c(c1C(=O)O)N)O)Cl	4AA	4-chloro-3-hydroxyanthranilic acid
+C[C@@H]([C@@H]([C@H]1CNc2c(c(nc(n2)N)N)N1)O)O	4AB	2,4-diamino-6-[2,3-dihydroxy-prop-3-yl]-5,6,7,8-tetrahydropteridine
+CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	4AC	n(4)-acetylcytidine-5'-monophosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)N)[NH3+])O)O)N	4AD	4-amino-1,4-dioxobutan-2-aminium adenosine-5'-monophosphate
+CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccccc4	4AE	n-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]benzenesulfonamide
+CC(=O)c1ccc(cc1)C[C@@H](C(=O)O)N	4AF	4-acetyl-l-phenylalanine
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC	4AG	(2r)-3-hydroxypropane-1,2-diyl dihexadecanoate
+CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2cccnc2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC	4AH	{(1s)-1-[n'-[(2s)-2-hydroxy-2-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-n'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester
+c1cc(cc(c1)O)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl	4AJ	2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
+C(CCNS(=O)(=O)O)C[C@@H](C(=O)O)N	4AK	n~6~-sulfo-l-lysine
+c1cc(ccc1CN)CO	4AL	[4-(aminomethyl)phenyl]methanol
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N	4AM	4-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
+c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N	4AN	6-amino-benzo[de]isoquinoline-1,3-dione
+CCOc1c2cccc(c2nc(n1)N=C(N)N)C	4AO	2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine
+c1c[nH+]ccc1N	4AP	4-aminopyridine
+Cn1cccc1CNCCc2c[nH]c3c2cccc3	4AQ	2-(1h-indol-3-yl)-n-[(1-methyl-1h-pyrrol-2-yl)methyl]ethanamine
+Cc1cccc(c1C(=O)OCC(=O)[C@H](CCCNC(=[NH2+])N)N)C	4AR	amino({(4s)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium
+CNCc1nccn1C	4AS	n-methyl-1-(1-methyl-1h-imidazol-2-yl)methanamine
+CC(=O)CCCC(=O)O	4AT	5-oxohexanoic acid
+c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc[nH]3	4AU	1h-benzimidazol-2-yl(1h-pyrrol-2-yl)methanone
+CNCc1cc(ccc1Cl)[N+](=O)[O-]	4AV	1-(2-chloro-5-nitrophenyl)-n-methylmethanamine
+c1cc2c(c(c[nH]2)C[C@@H](C(=O)O)N)nc1	4AW	4-azatryptophan
+C1[C@H](C(=O)NO1)N	4AX	(r)-4-amino-isoxazolidin-3-one
+c1cc(ccc1CBr)C(=O)O	4AY	4-(bromomethyl)benzoic acid
+c1cc(ccc1CN)C(=O)O	4AZ	4-(aminomethyl)benzoic acid
+C(Cn1c2c(c(c(c(c2Br)Br)Br)Br)nn1)CO	4B0	3-(4,5,6,7-tetrabromo-1h-benzotriazol-1-yl)propan-1-ol
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4cccc(c4)[N+](=O)[O-])S(=O)(=O)c5ccc(cc5)[N+](=O)[O-]	4B1	n-benzyl-n-[(3s,4s)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide
+C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)c3cncnc3	4B2	(4s)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine
+CC1(CC(CC(C1)(C)C)Nc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C	4B3	4-bromo-3-(carboxymethoxy)-5-{3-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl}thiophene-2-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	4B5	n-{(2r,4s,5s)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-l-leucyl-l-phenylalaninamide
+Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4ccc(cc4)Oc5ccccc5	4B7	2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-n-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
+c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)O	4B8	2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
+c1cc(ccc1CNCCC(=O)O)C(=O)O	4BA	4-[(2-carboxy-ethylamino)-methyl]-benzoic acid
+CC(C)(C)c1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	4BB	4-tert-butyl-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
+CCc1cc(c(cc1O)O)c2c(c([nH]n2)C(=O)O)c3ccc4c(c3)OCO4	4BC	4-(1,3-benzodioxol-5-yl)-5-(5-ethyl-2,4-dihydroxyphenyl)-2h-pyrazole-3-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O	4BD	5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine
+c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Br	4BE	4-bromo-n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
+c1cc(ccc1C[C@@H](C(=O)O)N)Br	4BF	4-bromo-l-phenylalanine
+c1ccc(cc1)COc2ccc(cc2)NC(=O)CN	4BG	n-[4-(benzyloxy)phenyl]glycinamide
+c1c(c(cc(c1Cl)O)O)c2c(cn[nH]2)N3CCNCC3	4BH	4-chloro-6-(4-piperazin-1-yl-1h-pyrazol-5-yl)benzene-1,3-diol
+Cc1c(c(c2ccccc2n1)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C	4BI	(2s)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid
+CN1c2cc(c(cc2N(C1=O)C)Oc3cccc(c3)OCc4ccccc4)NS(=O)(=O)c5ccc(c(c5)OC)OC	4BJ	n-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide
+Cc1nc(cn1C)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OCC(C)C)N(C(=O)N3C)C	4BK	n-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl}-1,2-dimethyl-1h-imidazole-4-sulfonamide
+Cc1ccc2cc([nH]c2c1)C(=O)O	4BL	6-methyl-1h-indole-2-carboxylic acid
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O	4BM	n-{[(2r)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O	4BN	3-oxo-4-pregnene-20-carboxyl-coenzyme a
+c1ccc(cc1)COc2ccc(cc2)NC(=O)[C@H](CC(=O)O)N	4BO	(3s)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid
+c1cc(ccc1CBr)c2ccc(cc2)CBr	4BP	4,4'-bis(bromomethyl)biphenyl
+c1ccc(cc1)COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N	4BQ	(2s)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
+Cc1ccc(cc1)OCC[P@H](=O)[O-]	4BR	2-(4-methylphenoxy)ethylphosphinate
+c1ccc(cc1)COc2ccc(cc2)NC(=O)CCCN	4BS	4-amino-n-[4-(benzyloxy)phenyl]butanamide
+[H]/N=C(/N)\SCCc1ccc(cc1)CCSC(=N)N	4BT	2-{2-[4-(2-carbamimidoylsulfanyl-ethyl)-phenyl]-ethyl}-isothiourea
+c1ccc(cc1)[C@@H](COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N)O	4BU	(2s)-2-amino-5-[[4-[(2s)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid
+Cn1cc(nc1)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OC[C@H]5CCOC5)N(C(=O)N3C)C	4BV	n-(1,3-dimethyl-2-oxo-6-{3-[(3s)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1h-benzimidazol-5-yl)-1-methyl-1h-imidazole-4-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N	4BW	2-amino-9-[(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-9-(6-amino-9h-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6h-purin-6-one
+c1ccc2c(c1)[nH]c(n2)CCC(=O)O	4BX	3-(1h-benzimidazol-2-yl)propanoic acid
+Cc1ccc2c(c1)cc([nH]2)C(=O)O	4BY	5-methyl-1h-indole-2-carboxylic acid
+[H]/N=C(\c1ccc(cc1)CO)/N	4BZ	4-(hydroxymethyl)benzamidine
+c1ccc(cc1)CCC(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O	4C0	3-(1h-benzimidazol-2-yl)-n-(3-phenylpropanoyl)-d-alanine
+CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCCN(C)C	4C1	n-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
+Cc1c(c(on1)C)S(=O)(=O)NC2=C(C(=O)C2=O)N3CCC(CC3)NCc4ccc(cc4)C(F)(F)F	4C2	n-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
+CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C	4C4	myxopyronin b
+COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N	4C5	(2r)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid
+Cc1ccc(cc1)CC2CCN(CC2)C3=C(C(=O)C3=O)NS(=O)(=O)c4c(noc4C)C	4C6	3,5-dimethyl-n-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide
+C[C@H](CCC[C@@H](C)CCOP(=O)(O)OP(=O)(O)O)CCCC(C)C	4C7	(3r,7s)-3,7,11-trimethyldodecyl trihydrogen diphosphate
+c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br	4C8	2,4-dibromophenyl 2,4,6-tribromophenyl ether
+CC(C)(C)CC(C#N)C(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N	4C9	(2s)-2-({(3r)-3-[4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCc4ccc(cc4)O)O	4CA	4-hydroxybenzyl coenzyme a
+B(c1ccc(cc1)C(=O)O)(O)O	4CB	4-carboxyphenylboronic acid
+[H]/N=C(\c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N	4CC	n-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1h-benzimidazol-5-yl)carbonyl]-n-pyridin-2-yl-beta-alanine
+Cc1ccccc1[C@H]2CCCN2C(=O)c3cc(c(cc3O)O)Cl	4CD	4-chloro-6-{[(2r)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
+CN1CCN(CC1)C(=O)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)C(=CC(=O)N4)O)Cl)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl	4CE	(2e)-n-[(1s)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1h-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enamide
+c1cc(ccc1C[C@@H](C(=O)O)N)C#N	4CF	4-cyano-l-phenylalanine
+C1C[C@H](/C(=C\[C@H](COP(=O)(O)O)N)/C1)C(=O)O	4CG	(1r,2z)-2-[(2r)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid
+c1cc(ccc1O)Cl	4CH	4-chlorophenol
+c1cc(ccc1C(=O)Nc2cc([nH]n2)C3CC3)C(=O)O	4CK	4-[(5-cyclopropyl-1h-pyrazol-3-yl)carbamoyl]benzoic acid
+c1cc(c(cc1Cl)O)O	4CL	4-chlorobenzene-1,2-diol
+C[P@](=O)(c1ccc(cc1)C(=N)N)O	4CM	(4-carbamimidoylphenyl)-methyl-phosphinic acid
+Cc1nc(cs1)c2ccc3c(c2)CC(=O)N3C	4CN	1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2h-indol-2-one
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O	4CO	4-hydroxyphenacyl coenzyme a
+[H]/N=C(\N)/Nc1ccc(cc1)C[C@@H](C(=O)N)NC(=O)CSc2ccc(cc2)Cl	4CP	2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@H](O2)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O3)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)O)O)O)O)O)O	4CQ	6-o-alpha-d-glucosyl-beta-cyclodextrin
+CCN(C)C(=O)Oc1cccc2c1CC[C@H]2/[N+](=C/C=C)/C	4CR	(1r)-4-({[ethyl(methyl)amino]carbonyl}oxy)-n-methyl-n-[(1e)-prop-2-en-1-ylidene]indan-1-aminium
+CC1=N[C@@H](CCN1)C(=O)O	4CS	(4s)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(ccc1SC[C@H]2C[N@](C[C@@H]2O)Cc3c[nH]c4c3ncnc4N)Cl	4CT	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol
+CCCOc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)CC=C	4CU	(~{e})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid
+CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Br)N4CCOCC4	4CV	3-[(5-bromo-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-n-methyl-4-(morpholin-4-yl)benzenesulfonamide
+CNS(=O)(=O)c1cccc(c1)Nc2c3c([nH]cn3)ncn2	4CW	n-methyl-3-(9h-purin-6-ylamino)benzenesulfonamide
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(c(c2)C(F)(F)F)c3ccc(c(c3)C#N)CC(C)C	4CX	n-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide
+C(CSC#N)[C@@H](C(=O)O)N	4CY	nitrilo-l-methionine
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3CC(C)C)c4ccccc4	4CZ	2-[4-(ethylsulfonyl)phenyl]-n-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide
+c1ccc(cc1)c2ccc(cc2)CCC(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	4D0	n-{[3-(biphenyl-4-yl)propanoyl]carbamoyl}-beta-d-glucopyranosylamine
+CC(C)c1ccc(cc1)/C=C/C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	4D1	n-({(2e)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamoyl)-beta-d-glucopyranosylamine
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3cccnc3	4D2	5-[(2s)-4-methyl-2-[(pyridin-3-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid
+COC(=O)/C=C(\C#N)/c1ccc(cc1)F	4D3	methyl (2z)-3-cyano-3-(4-fluorophenyl)prop-2-enoate
+[H]/N=C(/N)\NCC[C@H]([C@@H](C(=O)O)N)O	4D4	(2s,3r)-2-azanyl-5-carbamimidamido-3-oxidanyl-pentanoic acid
+COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](CC(=O)N3CCOCC3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl	4D5	methyl (4-{4-chloro-2-[(1s)-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1h-imidazol-5-yl}phenyl)carbamate
+B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O	4D6	vaborbactam
+Cc1c(cco1)C(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O	4D7	3-(1h-benzimidazol-2-yl)-n-[(2-methylfuran-3-yl)carbonyl]-d-alanine
+C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C	4D8	(3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid
+c1ccc2c(c1)cc(s2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O	4D9	3-(1h-benzimidazol-2-yl)-n-(1-benzothiophen-2-ylcarbonyl)-d-alanine
+CN(C)c1ccc2c(c1)C(=O)N(C2=O)CC[C@@H](C(=O)O)N	4DB	(2s)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl]butanoic acid
+CS(=O)(=O)c1ccc(cc1)[C@@H](CC2CCCC2)C(=O)Nc3nccs3	4DC	(2r)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-n-(1,3-thiazol-2-yl)propanamide
+C[C@H](CCc1ccccc1)N	4DD	(2r)-4-phenylbutan-2-amine
+CCOC(=O)c1c(nn(c1C)c2ccc(cc2)OC)C	4DE	1-(4-methoxyphenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
+CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)Cl	4DF	5-chloro-n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-n~4~-ethyl-n~4~-(1h-indazol-4-yl)pyrimidine-2,4-diamine
+c1nc2c(n1COCCOP(=O)(O)O)N=C(NC2=O)N	4DG	2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy]ethyl dihydrogen phosphate
+Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O	4DH	3-(1h-benzimidazol-2-yl)-n-[(1-methyl-3-phenyl-1h-pyrazol-5-yl)carbonyl]-d-alanine
+[H]/N=C(\N)/SCCCCN(C)C	4DI	4-(dimethylamino)butyl imidothiocarbamate
+Cn1c2ccc(cc2cn1)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5	4DJ	3-(1h-indazol-4-yl{2-[(1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol
+Cc1c(ocn1)c2cccc(c2)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5	4DK	3-[1h-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol
+c1cc2c(cn[nH]2)c(c1)N(CCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5	4DL	2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1h-indazol-4-yl)amino]ethanol
+Cc1c2cccc(c2c(c3c1C[C@H]4CC(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)O)O	4DM	(4as,12as)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
+c1cc2c(cn[nH]2)c(c1)N(CCCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5	4DN	3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1h-indazol-4-yl)amino]propan-1-ol
+CN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F	4DO	n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-n~4~-(1h-indazol-4-yl)-n~4~-methylpyrimidine-2,4-diamine
+CN(C)c1ccc2c(c1)C(=O)N(C2=O)C[C@@H](C(=O)O)N	4DP	3-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl]-l-alanine
+CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F	4DQ	n~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-n~4~-ethyl-5-fluoro-n~4~-(1h-indazol-4-yl)pyrimidine-2,4-diamine
+c1cc(c(cc1N=C=S)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)N=C=S	4DS	4,4'-diisothiocyano-2,2'-stilbenedisulfonic acid
+CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)NC4=CCC5=CNN(C5=C4)CCCO)F	4DT	3-[6-({4-[ethyl(1h-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl}amino)-2,4-dihydro-1h-indazol-1-yl]propan-1-ol
+c1cnc(c2c1n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	4DU	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazo[4,5-c]pyridin-4-amine
+Cc1ccccc1c2ccc(cc2F)c3ccc4c(c3)c(c(n4Cc5ccc(cc5)Cl)CC(C)(C)C(=O)O)C	4DV	3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1h-indol-2-yl]-2,2-dimethylpropanoic acid
+c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O	4DW	n-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-l-glutamic acid
+C[C@H]1CCCC[C@@H]1O	4DX	(1s,2s)-2-methylcyclohexanol
+CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O	4DY	(6e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide
+c1ccc2c(c1)c3cc(ccc3c4c2nc([nH]4)c5c(cccc5C#N)C#N)Cl	4DZ	2-(9-chloro-1h-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile
+CCCCCCCCCCCCCCCCOP(=O)(CCCC)F	4E0	1-[butyl(fluoranyl)phosphoryl]oxyhexadecane
+c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O	4E1	10-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid
+c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl	4E2	10-chloro-2-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid
+c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br	4E3	10-bromo-2-iodo-11h-indolo[3,2-c]quinoline-6-carboxylic acid
+CCC(CC)(CO)C(=O)Nc1ccc(nc1)C	4E4	2-ethyl-2-(hydroxymethyl)-n-(6-methylpyridin-3-yl)butanamide
+c1c(cc(cc1C(=O)O)O)[C@H]2CCN[C@@H]2C(=O)O	4E5	(3r)-3-(3-carboxy-5-hydroxyphenyl)-l-proline
+CCCCCCCCC/C=C/C=C/CC=C	4E6	(4e,6e)-hexadeca-1,4,6-triene
+CCC[C@@H]1CN[C@@H]([C@H]1c2cccc(c2)C(=O)O)C(=O)O	4E7	(3r,4s)-3-(3-carboxyphenyl)-4-propyl-l-proline
+c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3	4E8	3-(3-fluorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
+c1ccc2c(c1)-c3ccc(c4c3c(ccc4)C2=O)Nc5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N	4E9	2'-deoxy-8-[(7-oxo-7h-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)\C=C\c4ccncc4)N	4EA	(1s)-2-(1h-indol-3-yl)-1-[({5-[(e)-2-pyridin-4-ylvinyl]pyridin-3-yl}oxy)methyl]ethylamine
+Cc1ccc(c(c1)C)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F	4EB	4-({2-[(2,4-dimethylphenyl)sulfanyl]ethyl}amino)-n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitrobenzenesulfonamide
+Cc1cc2c(cc1C)sc(n2)/C=C/c3cccnc3	4ED	5,6-dimethyl-2-[(e)-2-(pyridin-3-yl)ethenyl]-1,3-benzothiazole
+CCOc1ccc(cc1)C2=Nn3c(nnc3SC2)c4ccccc4OC	4EE	6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
+CNS(=O)(=O)c1ccc(c(c1)Nc2c3c(c[nH]c3ncn2)Cl)N4CCOCC4	4EF	3-[(5-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-n-methyl-4-(morpholin-4-yl)benzenesulfonamide
+COC(=O)/C=C(\C#N)/c1ccccc1	4EG	methyl (2z)-3-cyano-3-phenylprop-2-enoate
+c1cnc(cn1)SC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N	4EH	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol
+c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N	4EJ	4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
+c1ccnc(c1)c2cnc3n2nc(cc3)N4CCC[C@@H]4c5cccc(c5)F	4EK	6-[(2r)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine
+Cc1nnc(s1)NS(=O)(=O)c2ccc(cc2)NCc3cc(cc(c3)C(=O)O)c4ccc(nc4)OC	4EL	3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)c1ccc[nH]1)O	4EM	(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1h-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate
+c1c2c(ncnc2nn1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	4EN	[(2r,3s,5r)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CCc1cc(c(cc1O)O)N2c3ccccc3NC2=O	4EO	1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2h-benzimidazol-2-one
+CCCc1cc(c(cc1O)O)N2c3ccccc3NC2=O	4EP	1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2h-benzimidazol-2-one
+c1cc(cnc1)S(NCc2ccc3c(c2)NC(=O)N3c4cc(c(cc4O)O)Cl)(O)O	4EQ	1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2h-benzimidazol-2-one
+c1ccc(c(c1)c2nc(nc(n2)N)N)Cl	4ER	6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
+Cc1cc(nc(n1)N)c2ccc(cc2Cl)[N+](=O)[O-]	4ES	4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine
+c1cc(ccc1C(=O)c2cc(ccc2O)Cl)O	4ET	(5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone
+c1cc(ccc1C(=O)c2ccc(cc2O)O)O	4EU	(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone
+c1cc(cc(c1)O)C(=O)c2ccc(cc2O)O	4EV	(2,4-dihydroxyphenyl)(3-hydroxyphenyl)methanone
+c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)c6[nH]nnn6)F)Cl	4EW	2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-n-[(1r,2s,3s,4r)-3-(1h-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine
+B1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O	4EX	(3~{a}~{s},6~{s},6~{a}~{r})-3~{a}-methyl-2,2-bis(oxidanyl)-6,6~{a}-dihydro-5~{h}-furo[2,3-d][1,3,2]dioxaborol-6-ol
+C1=C(C=[N](C=C1C=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)S	4EY	1-[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-5-methanethioyl-pyridine-3-carbothioic s-acid
+CCCCCCN(Cc1c[nH]c2c1ncnc2N)CO	4EZ	{[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol
+CSC[C@@H]1CN(C[C@H]1O)Cc2c[nH]c3c2ncnc3N	4F0	(3s,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
+c1ccc2c(c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc(cc4)C(=O)O	4F1	4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1h-indazol-3-yl}benzoic acid
+CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C4CCCC4	4F2	1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea
+C[C@@H]([C@@H](c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2c(ccc3)F)N)O	4F3	[2-(1-amino-2-hydroxy-propyl)-4-(4-fluoro-1h-indol-3-ylmethyl)-5-hydroxy-imidazol-1-yl]-acetic acid
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)c5cccs5	4F4	n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}thiophene-2-carboxamide
+CC(=O)Nc1ccc(cc1)N([C@H](c2ccsc2)C(=O)NC(C)(C)C)C(=O)Cn3c4ccccc4nn3	4F5	n-[4-(acetylamino)phenyl]-2-(1h-benzotriazol-1-yl)-n-[(1r)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide
+c1cc(cc(c1)F)[C@@H]2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N	4F6	4-{6-[(3r)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile
+c1ccc(cc1)c2c[nH]c(n2)CCc3cnc4ccccc4n3	4F7	2-[2-(4-phenyl-1h-imidazol-2-yl)ethyl]quinoxaline
+c1ccc(cc1)c2[nH]c(c(n2)C(=O)O)C(=O)O	4F8	2-phenyl-1h-imidazole-4,5-dicarboxylic acid
+c1cnccc1c2cnc[nH]2	4F9	4-(1h-imidazol-5-yl)pyridine
+c1cc(ccc1CCO)F	4FA	4-fluorophenethyl alcohol
+C1[C@@H](CN[C@@H]1C(=O)O)F	4FB	(4s)-4-fluoro-l-proline
+c1cc(ccc1c2ccc(cc2)F)C(=O)O	4FC	4'-fluoro-1,1'-biphenyl-4-carboxylic acid
+c1ccc(cc1)CNc2ccc(cn2)C(=O)N	4FD	6-(benzylamino)pyridine-3-carboxamide
+COc1ccc(cc1O)\C=C\C(=O)O	4FE	(2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
+Cc1c(nc([nH]1)c2ccccc2)C(=O)O	4FF	5-methyl-2-phenyl-1h-imidazole-4-carboxylic acid
+c1cc(ncc1C(=O)N)N	4FG	6-aminopyridine-3-carboxamide
+C1=CN(C(=S)C=C1C(F)(F)F)O	4FH	1-hydroxy-4-(trifluoromethyl)pyridine-2(1h)-thione
+Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)O	4FI	(2r)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid
+Cc1c(c2ccc(cc2nc1c3ccccn3)F)N4CC5(CCOCC5)c6c4cc(cn6)N7CCOCC7	4FJ	1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine]
+c1cnccc1c2[nH]ccn2	4FL	4-(1h-imidazol-2-yl)pyridine
+c1cc(ccc1CNC(=O)c2c(non2)N)Cl	4FM	4-amino-n-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide
+CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCCC2)NC(=O)c3cccc4c3con4	4FN	n-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide
+C(CN)[C@H](C(=O)O)N	4FO	(2r)-2,4-diaminobutanoic acid
+c1cc(ccc1CC2CCNCC2)F	4FP	4-(4-fluorobenzyl)piperidine
+CC(C)C(=O)c1c2ccccn2nc1Cc3cccc(c3)/N=N/c4ccc5c(cc(c(c5c4O)N)S(=O)(=O)O)S(=O)(=O)O	4FQ	4-amino-5-hydroxy-6-[(e)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid
+Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C	4FR	3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1h-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide
+c1ccc2c(c1)cc(cn2)N	4FS	quinolin-3-amine
+c1ccc2cnncc2c1	4FT	phthalazine
+C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O	4FU	(1r,2s)-cyclohexane-1,2-dicarboxylic acid
+C1C[C@@H](C[C@@H]1NC(=O)c2c(non2)N)O	4FV	4-amino-n-[(1r,3s)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide
+c1cc2c(c(c1)F)c(c[nH]2)C[C@@H](C(=O)O)N	4FW	4-fluorotryptophane
+COc1ccccc1CNc2ccc(cn2)C(=O)N	4FX	6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide
+c1ccc(cc1)c2[nH]c(c(n2)C(=O)N3CCOCC3)C(=O)O	4FY	4-(morpholin-4-ylcarbonyl)-2-phenyl-1h-imidazole-5-carboxylic acid
+[H]/N=C(\c1ccc(cc1)C=O)/N	4FZ	4-formylbenzenecarboximidamide
+CN(C)c1cccc(c1)CNc2ccc(cn2)C(=O)N	4G0	6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
+Cc1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4	4G1	n-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
+Cc1c(nc([nH]1)c2cccc(c2)Cl)C(=O)O	4G2	2-(3-chloro-phenyl)-5-methyl-1h-imidazole-4-carboxylic acid
+c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N	4G3	6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide
+CN(C)c1ccccc1CNc2ccc(cn2)C(=O)N	4G4	6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
+CN(CC(=O)N)C(=O)c1c([nH]c(n1)c2ccccc2)C(=O)O	4G5	4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1h-imidazole-5-carboxylic acid
+CC(C)(CN)N	4G6	2-methylpropane-1,2-diamine
+c1cc(cc(c1)C(=O)O)CNC(=O)c2ccc(cc2OCC(=O)O)F	4G7	3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid
+c1ccc(cc1)CN(CC(=O)O)C(=O)c2c([nH]c(n2)c3ccccc3)C(=O)O	4G8	4-[benzyl(carboxymethyl)carbamoyl]-2-phenyl-1h-imidazole-5-carboxylic acid
+CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl	4G9	2-chloro-n-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
+CCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O	4GA	1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1h-imidazol-3-ium
+CCSCOc1ccc(cc1NC(=O)C)S(=O)(=O)N2CCCCCC2	4GB	n-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O	4GC	beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose
+Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4	4GD	n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O	4GE	5-[benzyl(methyl)carbamoyl]-2-(3-chlorophenyl)-1h-imidazole-4-carboxylic acid
+CC(C)N1CCC(CC1)c2cc(n(n2)c3ccc(cc3F)C4CC4)NC(=O)c5cnn6c5nccc6	4GF	n-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1h-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CCSCC(=O)N(C)Cc1cnn(c1)c2ccccc2	4GG	2-(ethylsulfanyl)-n-methyl-n-[(1-phenyl-1h-pyrazol-4-yl)methyl]acetamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H](C[C@H](O1)CO)O)O)[C@@H](CCCCCCCCCCCCCCC)O	4GH	n-{(2s,3r)-1-[(4-deoxy-alpha-d-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
+c1cc(cc(c1)S(=O)(=O)N2CCCC[C@H]2C(=O)OCCCc3cccnc3)[N+](=O)[O-]	4GI	3-(pyridin-3-yl)propyl (2s)-1-[(3-nitrophenyl)sulfonyl]piperidine-2-carboxylate
+c1cnccc1SSC[C@@H](C(=O)O)N	4GJ	3-(pyridin-4-yldisulfanyl)-l-alanine
+Cc1cnc(c2n1nc(n2)CCc3nc4c5cccnc5ccc4n3C)C	4GK	2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3h-imidazo[4,5-f]quinoline
+C([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O	4GL	alpha-d-gulopyranose
+c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)O	4GM	6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide
+c1cc(ncc1C(=O)N)NCC2CCCC2	4GN	6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide
+c1cc(ncc1C(=O)N)NC2CCCC2	4GO	6-(cyclopentylamino)pyridine-3-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(=O)O)O)O)O)O	4GP	n-(carboxycarbonyl)-beta-d-glucopyranosylamine
+c1cc(c2c(c1)NC(=O)CO2)[C@H](CNCCN(C3CCCCC3)C(=O)CCNCCc4ccc(c(c4)Cl)Cl)O	4GQ	n-cyclohexyl-n~3~-[2-(3,4-dichlorophenyl)ethyl]-n-(2-{[(2r)-2-hydroxy-2-(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide
+COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)Cl	4GR	methyl (4-{4-chloro-2-[(1s)-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1h-imidazol-5-yl}phenyl)carbamate
+C1CNCCC1NC(=O)c2c(non2)N	4GS	4-amino-n-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide
+c1c(c(nc(n1)NC2CCCC2)N)C(=O)N	4GT	4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
+c1ccc(c(c1)Nc2c3cn[nH]c3ncn2)F	4GU	n-(2-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	4GW	5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate)
+c1ccnc(c1)CN2CCN(CC2)C(=O)c3c(non3)N	4GX	(4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
+C1CCC(CC1)CNC(=O)c2c(non2)N	4GY	4-amino-n-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide
+Cc1cccc(c1)C(=O)NCCC2(CCCCC2)CNc3ccc(cn3)C(=O)N	4GZ	6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-3-carboxamide
+c1c(c(c(c(c1F)F)OCC(=O)C(CC(=O)O)N)F)F	4H0	(3s)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
+c1cc(ncc1C(=O)N)NC[C@@H]2CCC[C@@H](C2)CN	4H1	6-({[(1r,3s)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide
+CC1=CC(=S)NC=C1	4H2	4-methylpyridine-2(1h)-thione
+c1cc(ncc1C(=O)N)N[C@@H]2C[C@@H]([C@H](C2)O)CO	4H3	6-{[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide
+c1cc(ccc1[C@H]2C[C@@H]2NC(=O)c3c(non3)N)S(=O)(=O)N	4H4	4-amino-n-[(1s,2r)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide
+COc1ccc2c3ccnc(c3n(c2c1)CC#N)Cl	4H5	(1-chloro-7-methoxy-9h-beta-carbolin-9-yl)acetonitrile
+c1ccc(c(c1)CNc2ccc(cn2)C(=O)N)N3CCOCC3	4H6	6-{[2-(morpholin-4-yl)benzyl]amino}pyridine-3-carboxamide
+CN1CCN(CC1)c2ccccc2CNc3ccc(cn3)C(=O)N	4H7	6-{[2-(4-methylpiperazin-1-yl)benzyl]amino}pyridine-3-carboxamide
+CC(C)(C)CNc1ncc(c(n1)N)C(=O)N	4H8	4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide
+COc1ccc(cc1)C(=O)n2c(ncn2)N	4H9	(5-amino-1h-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone
+C(CCO)C[NH3+]	4HA	4-hydroxybutan-1-aminium
+c1cc(ccc1c2ccc(cc2)O)O	4HB	4,4'-dihydroxybiphenyl
+c1ccc2c(c1)C(=CC(=O)O2)O	4HC	4-hydroxy-2h-chromen-2-one
+CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@H](CCC(=O)O)O	4HD	(4s,5e,7z,10z,13z,16z,19z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccc(cc9)Cl)C=C)C	4HE	(4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)]iron
+c1cc(sc1CC[C@@H]2CC3=C(NC2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	4HF	n-[(5-{2-[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}-2-thienyl)carbonyl]-l-glutamic acid
+c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I	4HG	n-[(4-hydroxy-8-iodoisoquinolin-3-yl)carbonyl]glycine
+CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCS)O	4HH	o-[(s)-hydroxy{[(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-l-serine
+CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NCc3ccccc3	4HI	(3r,5r)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1h-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
+CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O)O	4HJ	o-[(r)-hydroxy{[(3r)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-l-serine
+CCc1cc-2c(cc1O[C@H]3CCOC3)Cc4c2n[nH]c4c5ccc(nc5)C#N	4HK	5-{7-ethyl-6-[(3s)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile
+c1cc(ccc1CN/[NH+]=C/2\C=C(C(=O)C=C2[O-])C[C@@H](C(=O)O)N)O	4HL	(6e)-4-[(2s)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate
+COc1cc(ccc1O)OO	4HM	4-hydroperoxy-2-methoxy-phenol
+CCOc1ccccc1c2ccc(cc2)c3c(c(c4cnccc4n3)O)C#N	4HN	2-(2'-ethoxybiphenyl-4-yl)-4-hydroxy-1,6-naphthyridine-3-carbonitrile
+CC1=CC(=O)N(C=C1)O	4HO	1-hydroxy-4-methylpyridin-2(1h)-one
+c1cc(ccc1CC(=O)O)O	4HP	4-hydroxyphenylacetate
+CN1CCN(CC1)C(=O)c2c(non2)N	4HQ	(4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone
+c1ccc(c(c1)CO)Br	4HR	(2-bromophenyl)methanol
+C1=CC(=O)NC=C1Br	4HS	5-bromopyridin-2(1h)-one
+c1cc2c(c(c1)O)c(c[nH]2)C[C@@H](C(=O)O)N	4HT	4-hydroxytryptophan
+c1cc(nc(c1)Br)CO	4HU	(6-bromopyridin-2-yl)methanol
+COc1ccc(cc1OC)c2cc(co2)C(=O)N[C@H](Cc3cccc(c3)C#N)CO	4HV	n-[(2r)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide
+c1ccc(cc1)Nc2cc(ncn2)n3c(nc(n3)Nc4ccccc4)N	4HW	n~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1h-1,2,4-triazole-3,5-diamine
+[H]/N=C(/NCCC[C@@H](C(=O)N([C@@H]1C[C@H](NC1)C(=O)N)O)N)\N[N+](=O)[O-]	4HX	(4r)-4-(hydroxy{n~5~-[imino(nitroamino)methyl]-l-ornithyl}amino)-l-prolinamide
+c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O	4HY	[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-acetic acid
+C[C@@H](C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F	4HZ	n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-n-(2,2,2-trifluoroethyl)-l-alaninamide
+[H]/N=C(/[C@@H]1CCCN1C(=O)[C@@H]2C[C@@H](CN2C(=O)CCCc3ccccc3)N=[N+]=N)\O	4I4	(5r,6r,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N	4I5	(6s)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide
+COc1ccc(cc1OCc2ccccc2C(F)(F)F)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6	4I7	(4~{a}~{s},8~{a}~{r})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
+COC(=O)c1ccc2c(c1)OC(=O)N2	4I8	methyl 2-oxidanylidene-3~{h}-1,3-benzoxazole-6-carboxylate
+Cc1c(cncc1Cl)OC(=O)c2cccc3c2cc[nH]3	4I9	5-chloro-4-methylpyridin-3-yl 1h-indole-4-carboxylate
+CC(C)c1ccc(cc1)C(=O)O	4IA	4-propan-2-ylbenzoic acid
+CC(C)(c1cc(c(c(c1)I)O)I)c2cc(c(c(c2)I)O)I	4IB	tetraiodobisphenola
+c1c(nc[nH]1)/C=C/CC(=O)O	4IC	(3e)-4-(1h-imidazol-4-yl)but-3-enoic acid
+Cc1ccc(c(c1)C)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)Nc3ccccc3C(F)(F)F	4ID	2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-n-[2-(trifluoromethyl)phenyl]acetamide
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)c4cc(cc(c4)F)F)CCCOC	4IG	(2s)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2h-1,4-benzoxazin-3(4h)-one
+CS(=O)(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2	4IH	~{n}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide
+c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=[N-]	4II	(2~{s})-2-azanyl-3-(4-azidophenyl)propanoic acid
+c1cc(c2c(c1)NCC2)C(=O)Oc3cc(cnc3)Cl	4IJ	5-chloropyridin-3-yl 2,3-dihydro-1h-indole-4-carboxylate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)CN)O)O)N	4IK	(2s,5s)-2,6-diamino-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid
+c1cc(c2c(c1)[nH]cc2C[C@@H](C(=O)O)N)N	4IN	4-amino-l-tryptophan
+c1cc(cc(c1)S(=O)(=O)n2ccc3c2ccc(c3)C(=O)Oc4cc(cnc4)Cl)[N+](=O)[O-]	4IO	5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1h-indole-5-carboxylate
+[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	4IP	inositol-(1,3,4,5)-tetrakisphosphate
+Cc1ccc(cc1)CN2CCS(=O)(=O)N(C2)CCc3ccc(cc3)S(=O)(=O)N	4IQ	4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide
+C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C	4IR	{n-(4-{[2-(amino-kappan)ethyl]sulfamoyl-kappan}phenyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(iii)
+[H]/N=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c([nH]2)cccc3OC	4IT	n-[(2s)-1-({(1e,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+Cn1c2cc(ccc2nc1CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)C(=O)O	4IU	2-[[(2r,3r,4r)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2h-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid
+c1cc(c(nc1CCCn2cc(nn2)CCCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C=N\O)O	4IX	(2r,3r,4s,5s,6r)-2-[4-[1-[3-[6-[(z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
+c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CCCO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CCCO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O	4J0	(2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylpropane-3,1-diyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol]
+c1ccc2cc(ccc2c1)C[C@H](C(=O)O)N	4J2	(2r)-2-amino-3-(naphthalen-2-yl)propanoic acid
+NOS(=O)(=O)N	4J3	amino(aminooxy)sulfane dioxide
+c1cc(ccc1CNC(=O)CSC[C@@H](C(=O)O)N)c2ccc(cc2F)F	4J4	s-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-l-cysteine
+C(CNC(=[NH2+])N)[C@@H](C(=O)O)N	4J5	amino{[(3s)-3-amino-3-carboxypropyl]amino}methaniminium
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@H](C=O)[C@@H](C)O	4J6	(4r,5s)-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1h-pyrrole-2-carboxylic acid
+Cc1cc([nH]n1)Nc2c(c(nc(n2)Sc3ccc(cc3F)S(=O)(=O)Cc4cccc(c4F)[N+](=O)[O-])N5CCOCC5)OC	4J7	2-({2-fluoro-4-[(2-fluoro-3-nitrobenzyl)sulfonyl]phenyl}sulfanyl)-5-methoxy-n-(3-methyl-1h-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-4-amine
+Cc1ccc(cc1)S(=O)(=O)N	4J8	4-methylbenzenesulfonamide
+c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O	4J9	(2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]bis{1h-1,2,3-triazole-1,4-diyl[(2s,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diyl]-1h-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol]
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](COP(=O)(O)O)O)O)O)O	4JA	(2s)-3-[(6-deoxy-beta-d-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate
+CCc1ccc(cc1)S(=O)(=O)N	4JC	4-ethylbenzenesulfonamide
+CCCc1ccc(cc1)S(=O)(=O)N	4JE	4-propylbenzenesulfonamide
+CC[C@@]1([C@H](C(=O)C2=C3C(=O)c4c(ccc(c4C(=O)C3=C(C2[C@H]1O[C@@H]5C[C@@H]([C@H]([C@@H](O5)C)N(C)C)O)NN)O)O)[C@H]6C(=O)C7=C8C(C(=C7[C@H]([C@@]6(CC)O[C@H]9C[C@@H]([C@H]([C@@H](O9)C)O)OC)O[C@@H]1C[C@@H]([C@H]([C@@H](O1)C)N(C)C)O)NN)C(=O)C1=C(CC=C(C1C8=O)O)O)O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)O)OC	4JF	(1r,1'r,2s,2's,3r,3'r,5ar,10ar,11a's)-2'-[(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11 '-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-l-arabino -hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1h,1'h-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranoside
+Cc1c(sc(n1)Nc2ccc3ccccc3c2)C(=O)C	4JG	1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone
+c1cc(cc(c1)Br)CN	4JH	1-(3-bromophenyl)methanamine
+c1cc(c(cc1Cl)N)N	4JJ	4-chlorobenzene-1,2-diamine
+[H]/N=C(\CO)/NCCC[C@@H](C(=O)O)N	4JK	(s)-2-amino-5-(2-hydroxyacetimidamido)pentanoic acid
+c1cc(ccc1CO)Cl	4JL	(4-chlorophenyl)methanol
+CSc1ccc(cc1)N	4JM	4-(methylsulfanyl)aniline
+c1cc(ncc1N)Br	4JN	6-bromopyridin-3-amine
+Cc1c(ccc(n1)N)Br	4JO	5-bromo-6-methylpyridin-2-amine
+c1cc2c(cc[nH]2)nc1	4JP	1h-pyrrolo[3,2-b]pyridine
+c1cc2c(cc1N)C=CC(=O)O2	4JQ	6-amino-2h-chromen-2-one
+Cn1ccnc1CN2CCC3(CC2)CCN(C3=O)c4ccc(cc4)c5ccccc5	4JR	2-(biphenyl-4-yl)-8-[(1-methyl-1h-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
+CCC(=O)Nc1cc2ccccc2nc1	4JS	n-(quinolin-3-yl)propanamide
+c1ccc2c(c1)N=C(CS2)N	4JT	2h-1,4-benzothiazin-3-amine
+CC1CCC(CC1)N	4JU	trans-4-methylcyclohexanamine
+Cc1ccc(cc1)COc2cccc3c2c(nc(n3)N)N	4JV	5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine
+CN(c1ccccc1)C(=O)[C@@H]2COc3ccccc3O2	4JW	(2s)-n-methyl-n-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
+Cc1cc(n2c(n1)c(cn2)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O)C	4JX	n-[(1r,2s,3s,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4)/N	4JY	4-[[(r)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1h-imidazol-2-yl)methyl]amino]benzenecarboximidamide
+Cc1ccc(cc1)N2C(=NC(=O)Nc3cc(n[nH]3)COc4cccnc4)C=C(N2)C(C)(C)C	4JZ	1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3h-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1h-pyrazol-5-yl}urea
+c1cc2c(c[nH]c2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)C#N	4K0	4-[3-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile
+[H]/N=C(\c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4C(=O)N)/N	4K1	2-[2-[(r)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1h-imidazol-4-yl]benzamide
+c1cc2cccnc2c(c1)OC(=O)N3CCCCC3	4K2	quinolin-8-yl piperidine-1-carboxylate
+c1ccc(cc1)NC(=O)CCS	4K3	n-phenyl-3-sulfanylpropanamide
+CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C	4K4	2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+COc1cc(c(cc1Nc2ncc(c(n2)NC3CC3)C(F)(F)F)F)C(=O)N4CCOCC4	4K5	(4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone
+Cc1cc2c(cc1C)nc([nH]2)CCNC(=O)c3ccc(cc3)n4cnnc4	4K6	n-[2-(5,6-dimethyl-1h-benzimidazol-2-yl)ethyl]-4-(4h-1,2,4-triazol-4-yl)benzamide
+Cc1ccc(cc1)CNC(=O)N2CCC[C@@]3(C2)CCN(C3)Cc4ccc(c(c4)Cl)Cl	4K7	(5r)-2-(3,4-dichlorobenzyl)-n-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
+c1ccc2cnc(cc2c1)C(=O)O	4K8	isoquinoline-3-carboxylic acid
+c1ccc2c(c1)CCCN2C(=O)c3ccc(cc3)S(=O)(=O)N	4K9	4-(3,4-dihydroquinolin-1(2h)-ylcarbonyl)benzenesulfonamide
+Cc1c2c(c[nH]n2)[nH]n1	4KA	3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole
+c1cc(ccc1C(=O)N2CCc3cc(c(cc3C2)O)O)S(=O)(=O)N	4KB	4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1h)-yl)carbonyl]benzenesulfonamide
+c1ccc2c(c1)CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N	4KC	4-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)benzenesulfonamide
+COc1cc2c(cc1OC)CN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N	4KD	4-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)carbonyl]benzenesulfonamide
+c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@@H]2O)O)C(=O)O)O	4KE	(3r,4s,5r)-3,4-dihydroxy-5-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid
+CC[C@H](C)[C@@H]([C@H](C(=O)NCc1cc(cc(c1)OC)OC)O)C(=O)O	4KF	(2s,3s)-2-{(1r)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid
+c1ccc(cc1)c2ccc3c(c2)N=C(N(C3=O)C[C@H]4CC[C@H](O4)c5ccccc5)N	4KG	2-amino-7-phenyl-3-{[(2r,5s)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3h)-one
+c1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccncc3)F	4KH	2-fluoro-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide
+[H]/N=C(/N=C/CC[C@@H](C(=O)O)N)\N(C)OC	4KJ	(5e)-5-[(n-methoxy-n-methylcarbamimidoyl)imino]-l-norvaline
+COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccncc3	4KK	2-(3-methoxyphenyl)-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide
+c1cc2c(cc(nc2c(c1)O)C(=O)O)O	4KL	xanthuric acid
+CC(=O)N(C)c1ccc(cc1)OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F	4KM	tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate
+c1cc(ccc1OCC(=O)c2ccc(c(c2O)O)O)F	4KN	2-(4-fluorophenoxy)-1-(2,3,4-trihydroxyphenyl)ethanone
+Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O	4KO	(6r,7s)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia -1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+c1ccc(cc1)P(CCCCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5)(c6ccccc6)c7ccccc7	4KP	8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9h-purin-6-amine
+CC(C)(C)OC(=O)c1c(ccc(c1O)C(F)(F)F)COc2ccc(cc2)c3ccc(cc3)CC(=O)O	4KQ	2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O	4KR	7-aminocephalosporanic acid
+COc1ccc(cc1)O	4KS	4-methoxyphenol
+COc1ccc(cc1c2ccnc(c2)Nc3ccc(c(c3)OC)N4CCOCC4)C#N	4KT	4-methoxy-3-[2-[(3-methoxy-4-morpholin-4-yl-phenyl)amino]pyridin-4-yl]benzenecarbonitrile
+c1cc(c(cc1NCS)S(=O)(=O)O)CCc2ccc(cc2S(=O)(=O)O)NCS	4KU	2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}
+CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)(S(C)(C)O)Cl	4KV	3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O	4KX	1,5 dienoyl-coa
+CC(=O)N1C[C@@H](C[C@H]1C(=O)O)OCCCCCCC=C	4KY	(4r)-1-acetyl-4-(oct-7-en-1-yloxy)-l-proline
+B([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O	4KZ	n-[(1r)-1-(dihydroxyboranyl)-2-phenylethyl]-nalpha-(pyrazin-2-ylcarbonyl)-l-phenylalaninamide
+CCCCCCO[C@@H]1C[C@H](N(C1)C(=O)C)C(=O)O	4L0	(4r)-1-acetyl-4-(hexyloxy)-l-proline
+CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccccn6	4L1	5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1h,1'h-2,5'-bibenzimidazole
+CC1=CC(=O)N(c2c1ccc(c2)N3CCCCC3=O)C	4L2	1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1h)-one
+CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NC(=O)OC(C)(C)C)c4ccccc4)C	4L3	tert-butyl [(2r,3s)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate
+C/C(=C\c1ccc(c(c1)O)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@H]([C@@H]([C@H]4[C@@H]([C@H]3O)OCO4)O)O	4L4	hygromycin a
+CC(C)Nc1ccc2ncc(n2n1)c3ccc(c(c3)OC)C(=O)N	4L5	2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
+Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N	4L6	4-amino-8-(5-methyl-1h-indazol-6-yl)cinnoline-3-carboxamide
+c1cc2c(cc1[C@H]3CNC[C@@H]3C(=O)c4ccc(s4)Br)N=CNC2=O	4L7	7-{(3s,4r)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3h)-one
+CC(C)C[C@H](CN)C(=O)O	4L8	(2r)-2-(aminomethyl)-4-methylpentanoic acid
+C[C@@H](C(=O)N[C@H]1CC=C[C@@H](N(C1=O)C)c2ccccc2)NC(=O)Cc3cc(cc(c3)F)F	4L9	n~2~-[(3,5-difluorophenyl)acetyl]-n-[(3s,7r)-1-methyl-2-oxo-7-phenyl-2,3,4,7-tetrahydro-1h-azepin-3-yl]-l-alaninamide
+B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C	4LA	(r)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1h-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate
+c1ccc(c(c1)COC(=O)NCC2CCC(CC2)C(=O)O)Cl	4LB	trans-4-[({[(2-chlorobenzyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid
+Cn1c2cc(ccc2nc1c3c[nH]c4c3ccc(c4)C#N)C(=O)N5CCO[C@H]([C@@H]5CO)c6ccccc6	4LC	3-(6-{[(2s,3s)-3-(hydroxymethyl)-2-phenylmorpholin-4-yl]carbonyl}-1-methyl-1h-benzimidazol-2-yl)-1h-indole-6-carbonitrile
+Cc1c(c(n[nH]1)C2CC2)c3c4c(ccn3)[nH]c5c4cc(c(c5)c6c(noc6C)C)OC	4LD	1-(3-cyclopropyl-5-methyl-1h-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5h-pyrido[4,3-b]indole
+[C@@H](C(F)(F)F)(OC(F)F)Cl	4LE	(2r)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
+c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O	4LF	n-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide
+COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5ccn(c5c4)CC(=O)OC	4LG	methyl (6-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetate
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	4LH	n-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide
+Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NC)C(=O)NC	4LI	(4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-methyl-1,3-thiazolidine-4-carboxamide
+C(CN)CBr	4LJ	1.7.6 3-bromanylpropan-1-amine 
+COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O	4LK	3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
+CCCCNc1ccc2cccc(c2n1)O	4LL	2-(butylamino)quinolin-8-ol
+C/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	4LM	(2e)-2-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid
+Cc1ccc(c2n1nc3c2C[C@](CC3)(C)NC(=O)c4ccc(cc4)n5cnnc5)O	4LN	n-[(2r)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4h-1,2,4-triazol-4-yl)benzamide
+Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3nc4c(c[nH]n4)c(n3)Nc5ccccc5S(=O)(=O)C(C)C	4LO	n~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-n~4~-[2-(propan-2-ylsulfonyl)phenyl]-2h-pyrazolo[3,4-d]pyrimidine-4,6-diamine
+CC1(c2c(ccc(c2F)N3C=C(C(=O)C(=N3)c4ccnn4c5ccccc5)OC)N(C1=O)CC6CC6)C	4LP	1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one
+CCn1c(nnc1CCC(=O)Nc2cccc3c2cccc3)CCC4CCCCC4	4LQ	3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-n-naphthalen-1-yl-propanamide
+CC(=CCOP(=O)(O)O)C	4LR	dimethylallyl monophosphate
+Cc1cc2c(cc1C)N(C3=C(N2CC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	4LS	1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono -d-ribitol
+C[C@H](C(=O)O)F	4LT	(2r)-2-fluoropropanoic acid
+Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C	4LU	1-deoxy-5-o-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7h-quinolino[1,8-fg]pteridin-12-ium-7-y l)-d-ribitol
+C/C(=C\c1ccccc1)/C(=O)O	4LV	(2e)-2-methyl-3-phenylprop-2-enoic acid
+c1ccc(cc1)/C=C(/C(=O)O)\F	4LW	(2z)-2-fluoro-3-phenylprop-2-enoic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=S)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	4LX	n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanethioamide
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5cc(c(c(c5)F)C6=CCN(CC6)C)F	4LY	[3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}-1h-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile
+c1cc(ccc1C[C@@H](C(=O)O)N)OCCN=[N+]=N	4LZ	o-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-l-tyrosine
+Cc1ccc(c(c1)N)C(=O)O	4M0	2-azanyl-4-methyl-benzoic acid
+Cc1cc2c(cc1C)nc([nH]2)[C@@H](CNC(=O)c3c(cc(cc3Cl)n4cnnc4)Cl)c5ccccc5	4M1	2,6-dichloro-n-[(2r)-2-(5,6-dimethyl-1h-benzimidazol-2-yl)-2-phenylethyl]-4-(4h-1,2,4-triazol-4-yl)benzamide
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC/C(=C/2\[C@H]([C@@H]([C@H](O2)Oc3ccc(cc3)/C=C(\C)/C(=O)N[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5ncnc6N(C)C)CO)O)O)/OC)O)OC)OC	4M2	3'-deoxy-3'-{[(2e)-3-(4-{[(4z)-6-o-(6-deoxy-3,4-di-o-methyl-alpha-d-mannopyranosyl)-5-o-methyl-alpha-d-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-n,n-dimethyladenosine
+[H]/N=C(\c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](c2ccccc2)C(=O)O)/N	4M3	n-(4-carbamimidoylbenzoyl)-beta-alanyl-n-[(s)-carboxy(phenyl)methyl]-l-alpha-asparagine
+COc1cc(ccc1O)C=C	4M4	2-methoxy-4-vinylphenol
+CC/C=C\CC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O	4M5	(4~{z},7~{z},10~{z},13~{z},19~{z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid
+c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5	4M6	1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid
+c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O	4M7	(1r)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2h-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide
+CO[P@](=O)(CC[C@@H](C(=O)O)N)O	4M8	(2s)-2-amino-4-[(s)-hydroxy(methoxy)phosphoryl]butanoic acid
+[H]/N=C(/CCC(=O)N)\C1=N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1CC=O	4M9	(4z)-4-imino-4-[(4z)-4-(1h-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1h-imidazol-2-yl]butanamide
+Cc1ccc(cc1)C(=O)O	4MA	4-methylbenzoic acid
+CS(=O)(=O)Nc1ccc(cc1)C(=O)O	4MB	4-[(methylsulfonyl)amino]benzoic acid
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c2ccccc2)NC(=O)N3CCN(CC3)C	4MC	(z)-n-(5-guanidino-1-oxo-1-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)pentan-2-yl)-4-methylpiperazine-1-carboxamid e
+C[N@@](Cc1ccc(cc1)Cl)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N	4MD	n-(4-chlorobenzyl)-n-methylbenzene-1,4-disulfonamide
+COC(=O)c1cccc2c1cc[nH]2	4ME	methyl 1h-indole-4-carboxylate
+Cc1cccc2c1ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4MF	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methyl-1h-indole
+Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C	4MG	1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1h-indol-5-yl)amino]pyrimidin-4-yl}-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NCc3ccc(cc3)S(=O)(=O)N	4MH	2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-n-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide
+CSc1ccc(cc1)C(=O)O	4MI	4-methylsulfanylbenzoic acid
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)C(=O)Cc5ccccc5)(C)C	4MJ	1-deoxy-5-o-phosphono-1-[(1s)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1h,7h-quinolino[1 ,8-fg]pteridin-7-yl]-d-ribitol
+Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl	4MK	5-chloro-n~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-n~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine
+C[C@@]1(C=CC(=O)O1)CC(=O)O	4ML	[(2s)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
+C[N+](C)(C)[C@@H](CCSC)C(=O)O	4MM	n,n,n-trimethylmethionine
+Cc1ccc(cc1)N	4MN	4-methylaniline
+[Mo+4]	4MO	molybdenum(iv) ion
+COc1ccc(cc1)C(=O)N2CCCC2=O	4MP	1-(4-methoxybenzoyl)-2-pyrrolidinone
+CN1CCCN(CC1)c2c3ccccc3ncn2	4MQ	4-(4-methyl-1,4-diazepan-1-yl)quinazoline
+c1ccc(cc1)Oc2ccc(cc2)C3(C(=O)NC(=O)NC3=O)N4CCN(CC4)c5ncccn5	4MR	5-(4-phenoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-2,4,6(2h,3h)-trione
+CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)Cl)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O	4MS	n-({3-[(5s)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide
+c1cc(ccc1CCNC=S)O	4MT	n-[2-(4-hydroxyphenyl)ethyl]thioformamide
+CC1=CC(=O)Oc2c1ccc(c2)O	4MU	7-hydroxy-4-methyl-2h-chromen-2-one
+CC(C)CCC(=O)O	4MV	4-methyl valeric acid
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C	4MW	2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(4-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}butyl)acetamide
+CCCCCc1cc(cc(c1C(=O)O)O)O	4MX	2,4-bis(oxidanyl)-6-pentyl-benzoic acid
+[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	4MY	myo inositol 3,4,5,6 tetrakisphosphate
+Cc1c[nH]cn1	4MZ	4-methylimidazole
+Cc1c[n+](c(c(c1OC)C)CS)c2[nH]c3c(n2)ccc(n3)OC	4N1	4-methoxy-1-(5-methoxy-3h-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium
+C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	4N2	beta-l-idopyranose
+CCCCCCCC(=O)N[C@H](C(C)C)C(=O)O	4N3	n-octanoyl-d-valine
+CC(=O)c1cccc(c1)n2c(nnn2)S(=O)(=O)Cc3cccc(c3)Cl	4N5	1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1h-tetrazol-1-yl}phenyl)ethanone
+c1c(c(c2c(c1Cl)non2)[N+](=O)[O-])NCCO	4N6	2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol
+Cc1ccc(cc1)C(=O)/C=C(/c2ccccc2)\N3CCC[C@H]3C(=O)O	4N7	1-[(1z)-3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-1-yl]-l-proline
+c1cc(oc1)CNC(=S)N2CCC[C@H]2C(=O)O	4N8	1-[(furan-2-ylmethyl)carbamothioyl]-l-proline
+c1cc(ccc1CNC(=S)N2CCC[C@H]2C(=O)O)C#N	4N9	1-[(4-cyanobenzyl)carbamothioyl]-l-proline
+c1cc(ccc1c2ccc3c(c2)ccc(c3Cl)O)O	4NA	1-chloro-6-(4-hydroxyphenyl)-2-naphthol
+c1cc(ccc1C(=O)O)[N+](=O)[O-]	4NB	4-nitrobenzoic acid
+c1cc(c(cc1[N+](=O)[O-])O)O	4NC	4-nitrocatechol
+c1ccc(cc1)N(c2ccccc2)C(=O)NNC(=N)N	4ND	n4-(n,n-diphenylcarbamoyl)-aminoguanidine
+CCCC[P+](CCCC)(CCCC)CCCC	4NE	tetrabutylphosphonium
+c1cc(ccc1NC=S)[N+](=O)[O-]	4NF	n-(4-nitrophenyl)thioformamide
+C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O	4NG	[(3s,5s)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid
+CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)OCC#CCN)C(=O)NO)C	4NH	4-({4-[(4-aminobut-2-ynyl)oxy]phenyl}sulfonyl)-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
+C(CC(=O)O)C[N+](=O)[O-]	4NI	4-nitrobutanoic acid
+CN1C(=O)C(=C([C@]1(Cc2ccc(cc2)Cl)O)c3c[nH]c4c3ccc(c4)Cl)Cc5ccc(cc5)Cl	4NJ	(5s)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1h-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2h-pyrrol-2-one
+C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O	4NK	(1s)-1-carboxy-4-({(1r)-1-carboxy-2-[(s)-{4-[(2s)-2-carboxy-2-(trimethylammonio)ethyl]-1h-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium
+c1cc(ccc1N)O	4NL	4-aminophenol
+c1cc(ccc1CS)[N+](=O)O	4NM	4-nitrophenyl methanethiol
+CC(=O)NC1=C[C@@H]([C@H](OC1=O)CO)O	4NN	n-[(5s,6r)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2h-pyran-3-yl]acetamide
+c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O	4NO	4-nitro-2-phosphonobenzoic acid
+c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O	4NP	4-nitrophenyl phosphate
+c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F	4NR	5-(4-fluorophenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O	4NS	4-nitrophenyl sulfate
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N)O	4NT	[(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C[C@H]([C@@H](C1=N/C(=C\C2C=C(C(=O)C(=C2)Cl)Cl)/C(=O)N1CC(=O)O)N)O	4NU	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc(ccc1CC2=C([C@](OC2=O)(Cc3ccc(cc3)Cl)O)c4c[nH]c5c4ccc(c5)Cl)Cl	4NX	(5r)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1h-indol-3-yl)-5-hydroxyfuran-2(5h)-one
+c1cc(ccc1Cn2cc(c3c2cc(cc3)Cl)/C=C(\C#N)/c4ccc(cc4)C(=O)O)F	4NY	4-{(z)-2-[6-chloro-1-(4-fluorobenzyl)-1h-indol-3-yl]-1-cyanoethenyl}benzoic acid
+c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N	4NZ	4-nitrobenzenesulfonamide
+Cc1c(c2ccc(c(c2n1CC(=O)N3CC4(CC4)c5c3cccc5)F)Cl)Sc6cccc(c6F)C(=O)O	4O0	3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'h)-yl)ethyl]-1h-indol-3-yl}sulfanyl)-2-fluorobenzoic acid
+C[C@@H](C(=O)N1CCCN(CC1)C)N2CC[C@@H](C2=O)N(CC(=O)N)S(=O)(=O)c3ccc4cc(ccc4c3)Cl	4O1	n~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-n~2~-{(3s)-1-[(2s)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide
+c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)N(C5=O)CCC(=O)O	4O2	3-[(11as)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1h-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3h)-yl]propanoic acid
+c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)NC5=O	4O3	(11as)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1h-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2h)-dione
+CCC(=O)CN([C@H]1C=CN(C1=O)[C@@H](C)C(=O)N2CCOCC2)S(=O)(=O)c3ccc4cc(ccc4c3)Cl	4O4	6-chloro-n-{(3s)-1-[(2s)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1h-pyrrol-3-yl}-n-(2-oxobutyl)naphthalene-2-sulfonamide
+CNC(=O)c1ccc(c(c1)F)N2C=C[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(s3)Cl	4O5	4-[(3s)-3-({[(e)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1h-pyrrol-1-yl]-3-fluoro-n-methylbenzamide
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(cc3)Cl	4O6	(e)-2-(4-chlorophenyl)-n-{(3s)-1-[(2s)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3-c6n2c7ccccc7c6[C@@H]8[C@H]5[C@H](NC8)O)NC)OC	4O7	(5s,6r,7r,9r,13cr,14r,16as)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5h,13ch-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)Br)F	4O8	{2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)I)F	4O9	{5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C	4OA	(3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid
+c1ccc(cc1)/N=C(\c2cccc(c2)C(F)(F)F)/NO	4OB	n-hydroxy-n'-phenyl-3-(trifluoromethyl)benzenecarboximidamide
+CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	4OC	4n,o2'-methylcytidine-5'-monophosphate
+c1cc(cc(c1)Br)/N=C(\c2ccc(c(c2)C(F)(F)F)F)/NO	4OD	n'-(3-bromophenyl)-4-fluoro-n-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
+c1cc(ccc1c2c(cn[nH]2)c3ccc(c(c3)C(F)(F)F)F)F	4OE	5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1h-pyrazole
+CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc2c(cnc(n2)Nc3ccc(c(c3)F)C4CCN(CC4)C)C(F)(F)F	4OF	n-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
+c1ccc2c(c1)c(cs2)C[C@@H](C(=O)O)N	4OG	3-(1-benzothiophen-3-yl)-l-alanine
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1[C@H]([C@H]([C@@H]2O)O)O)O	4OH	(14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol
+c1cc(cnc1)[C@@H]2C[C@H]2C(=O)Nc3c[nH]nc3	4OI	(1~{r},2~{r})-~{n}-(1~{h}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide
+Cc1ccccc1OP(=O)(O)O	4OJ	(2-methylphenyl) dihydrogen phosphate
+c1cc(c(cc1c2cc3c4cc(ccc4[nH]c3c(c2)C(=O)N)C(=O)N5CCOCC5)Cl)Cl	4OK	3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9h-carbazole-1-carboxamide
+C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O	4OL	n,n'-butane-1,4-diylbis[1-hydroxy-n-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide]
+CCCC[C@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)F	4ON	5-[(2s,7r)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol
+c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=N	4OO	4-triaza-1,2-dien-2-ium-1-yl-l-phenylalanine
+C[N+]1(C[C@@H](C[C@@H]1C(=O)O)O)C	4OP	(2s,4s)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium
+CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl	4OQ	2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine
+CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N[C@H]4CCN(C4)C(=O)NC(C)(C)C)Cl	4OR	(s)-n-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
+COc1ccc(cc1)S(=O)(=O)O	4OS	4-methoxybenzenesulfonic acid
+Cc1nc(c(s1)c2ccccc2F)C(=O)N3CCC[C@H]3Cc4nnc(o4)c5ccccc5	4OT	[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2s)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone
+C=CC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N	4OU	4-(acryloylamino)-l-phenylalanine
+CC1=C(N[C@H](SC1)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)[C@@H](c2ccccc2)N)C(=O)O	4OV	(2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C4CCN(CC4)C	4OW	n-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
+C(CCC(=O)CCC(=O)O)CCC(=O)O	4OX	4-oxodecanedioic acid
+COC(=O)[C@H](COC=O)NC(=O)c1cccc(c1O)O	4OZ	methyl n-(2,3-dihydroxybenzoyl)-o-formyl-l-serinate
+CC(=O)C1=CCC[C@@H]2CC[C@H]1N2	4P0	1-[(1r,6r)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone
+CNC(=O)c1ccc(c(c1)c2ccc3c(c2)CCCN3C(=O)c4c(cccc4Cl)F)Cl	4P1	4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-n-methylbenzamide
+C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5CCCCCc6c(cc7ccccc7n6)O4)C8CCCC8	4P2	(3ar,7s,10s,12r,24ar)-7-cyclopentyl-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10h-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide
+CN(c1ccc(cc1OCC(F)(F)F)c2cc(ccc2Cl)C(=O)N)C(=O)c3c(cccc3Cl)F	4P3	6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide
+c1cc(cc(c1)F)c2ccc3c(cnc(c3n2)N)C(=O)NC4CN(C4)C(=O)C5CC5	4P4	8-amino-n-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide
+c1coc2c1[nH]c(c2)C(=O)O	4P5	4h-furo[3,2-b]pyrrole-5-carboxylic acid
+c1cc(cnc1)C\2=NCCC/C2=C\c3cccs3	4P6	(3e)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine
+c1cc(cnc1)C\2=NCCC/C2=C\c3cc[nH]c3	4P7	(3e)-3-(1h-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine
+c1ccc(c(c1)Cc2cc(c(c(c2)[N+](=O)[O-])O)C=O)Cl	4P8	5-(2-chlorobenzyl)-2-hydroxy-3-nitrobenzaldehyde
+c1cc(ccc1N/N=C/c2ccc(c(c2O)O)O)Cl	4P9	4-{(e)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol
+CCCOC(=O)C	4PA	propyl acetate
+C(CC(=O)NO)CP(=O)([O-])[O-]	4PB	n-hydroxy-4-phosphono-butanamide
+CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4PC	3-(2'-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3,7-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one
+CC1=CC2=CN(C(=O)NC2=N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4PD	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-1,3-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one
+Cc1cc-2cn(c(nc2n1)O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	4PE	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3h-pyrrolo[2,3-d]pyrimidin-2-ol
+C[C@H](COC[C@@H](C)OCCOC)N	4PF	(2r)-1-[(2r)-2-(2-methoxyethoxy)propoxy]propan-2-amine
+[H]/N=C(/N)\Nc1ccc(cc1)CC(=O)c2ccccc2	4PG	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine
+Cc1ccc(cc1)C[C@@H](C(=O)O)N	4PH	4-methyl-l-phenylalanine
+Cc1ccc(cc1)C(=O)N2CCC(CC2)Cc3ccccc3	4PI	n-(4-methylbenzoyl)-4-benzylpiperidine
+CCCC[C@@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)c2c(cc(cc2O)C[C@@H](C)CCCC[C@@H](CCCC)F)O	4PJ	2-[(5s,10s)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2s,7r)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol
+[H]/N=C(/N)\NOCC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc1ccccc1)O)NC(=O)OCc2ccccc2	4PK	n-[(benzyloxy)carbonyl]-o-carbamimidamido-l-homoseryl-n-{(3s,4s)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]heptan-4-yl}-l-valinamide
+Cc1c(c2c(cn1)COC2=O)O	4PL	7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3h)-one
+C1CCN(CC1)C2CCNCC2	4PN	4-piperidino-piperidine
+CC(C)(C)/[N+](=C/c1cc[n+](cc1)[O-])/[O-]	4PO	alpha-(4-pyridyl-1-oxide)-n-tert-butylnitrone
+c1cc(cc(c1)[C@H](CCCNc2ccncc2)C(=O)O)c3cccc(c3)C(=N)N	4PP	(2s)-(3'-amidino-3-biphenyl)-5-(4-pyridylamino)pentanoic acid
+c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N	4PQ	5-hydroxy-l-tryptophan
+CCCC[C@@H]([C@@H](C(=O)N[C@H](C)c1ccccc1)O)NC(=O)O[C@@H]2CN(CC2(C)C)C(=O)Nc3c(noc3C)C	4PR	(3s)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl{(1s)-1-[1-hydroxy-2-oxo-2-{[(1r)-1-phenylethyl]amino}ethyl]pentyl}carbamate
+CC(C)(CO[P@](=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	4PS	4'-diphospho pantetheine
+CCC[C@@H](O)O[C@H](COC(=O)CCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	4PT	(2r)-3-{[(s)-{[(2s,3r,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-2-(1-hydroxy butoxy)propyl butyrate
+[Pu+4]	4PU	plutonium ion
+CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cc(cc4)F)F	4PV	2,8-difluoro-11-(4-methylpiperazin-1-yl)-5h-dibenzo[b,e][1,4]diazepine
+C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O	4PW	levoglucosan
+CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O	4PX	3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1h-imidazo[4,5-c][1,8]naphthyridine-2,4-dione
+c1c(cncc1OC[C@H](CC2=C3C=CCC=C3N=C2)N)C4=NCC5=NN=CC5=C4	4PY	(2s)-1-(6h-indol-3-yl)-3-{[5-(7h-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxy}propan-2-amine
+Cc1c[nH]nc1	4PZ	4-methyl-1h-pyrazole
+CC(C)Oc1cccc2c1C(=O)N(C2=O)CCC3=Nc4ccccc4C(=O)N3c5ccc(cc5)OC	4Q0	2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1h-isoindole-1,3(2h)-dione
+CC(=CCn1c2cc(ccc2c3c1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4([C@H]3O)O)C=C(C)C)OC)C	4Q1	fumitremorgen b
+C[C@@H]1CCN([C@@H]1C(=O)N)C(=O)Nc2nc3c(s2)-c4c(cnc(n4)C(C)(C)C)CC3	4Q2	(2s,3r)-n~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide
+CC(C)n1c(cc(n1)NC(=O)C)c2ccc(c(c2)N3C[C@H]4C[C@H]4C3)N(C)C(=O)c5c(cccc5Cl)F	4Q3	n-{4-[3-(acetylamino)-1-(propan-2-yl)-1h-pyrazol-5-yl]-2-[(1r,5s)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-n-methylbenzamide
+Cc1c(nc(c(n1)N2CCC3(CC2)CO[C@H]([C@H]3N)C)CO)c4cccc(c4Cl)Cl	4Q4	{3-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](c2ccccc2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC	4Q5	n-methyl-l-valyl-n-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s,2r)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-n-methyl-l-valinamide
+COc1ccccc1OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	4Q7	2-methoxyphenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+Cc1ccccc1OS(=O)(=O)[C@@H]2CC3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	4Q9	2-methylphenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+CC(C)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5	4QA	4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[3-(propan-2-yloxy)benzyl]-1,3,8-triazaspiro[4.5]dec-3-en-2-one
+CC[C@H](CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)C(=O)N[C@@H](CC(=O)O)C=O	4QB	3-{2-ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid
+CN(C)Cc1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C(=O)N)C3=O	4QC	3-[6-{2'-[(dimethylamino)methyl]biphenyl-4-yl}-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridin-1-yl]benzamide
+C[C@@H](CN)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5	4QD	8-(3-{[(2s)-1-aminopropan-2-yl]oxy}benzyl)-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
+Cc1ccccc1c2[nH]c3c(n2)c(nc(n3)N)OCC4CCCCC4	4QE	6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9h-purin-2-amine
+C[C@H]1C[C@]2(CCN1Cc3ccccc3)C(=NC(=O)N2c4cccc(c4)F)NC5CCCCC5	4QF	(5r,7s)-8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-7-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
+c1cc(ccc1c2ncc(o2)c3ccc(cc3)Cl)C(=O)N	4QG	4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide
+CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccc(c(c4)OC)OC	4QH	3,4-dimethoxy-n-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]benzenesulfonamide
+c1ccc2c(c1)nc(o2)NC3=N[C@H](C4=C(N3)CCCC4=O)c5c(cn[nH]5)Cl	4QI	(4r)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1h-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1h)-one
+CN1C(=O)c2c(nn(c2Nc3ccccc3)Cc4ccc(cc4)c5cccc(n5)F)N6C1=N[C@H]7[C@@H]6CCC7	4QJ	(11r,15s)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
+c1c(nnn1CCCC[C@@H](C(=O)O)N)CCN	4QK	6-[4-(2-aminoethyl)-1h-1,2,3-triazol-1-yl]-l-norleucine
+CCCCCCCC(=O)Nc1c(c(c(c(c1I)C(=O)O)I)C(=O)O)I	4QL	2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid
+CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	4QM	(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-10,13-dimethyl-17-[(2r)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N(C)C)Cl	4QO	2-chloro-n,n-dimethyl-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzamide
+CC(C)C[C@@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O	4QP	(2r)-2-{[(r)-[(r)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid
+[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)/N	4QQ	4-[(2s)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide
+C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)C)C)OC)OC(=O)N)C)C)O)OC	4QS	[(3r,5s,6r,7r,10r,11s,12e)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
+c1(c(c(c(c(c1Br)OO)Br)OO)Br)N	4QT	5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide
+c1ccc2c(c1)[nH]c(n2)N3c4ccc(cc4NC3=O)O	4QV	5-hydroxy-1'h-1,2'-bibenzimidazol-2(3h)-one
+Cn1cncc1/C=C/2\CCN=C2c3cccnc3	4QW	3-{(4e)-4-[(1-methyl-1h-imidazol-5-yl)methylidene]-3,4-dihydro-2h-pyrrol-5-yl}pyridine
+CC(C)NC(=O)n1c(nc(n1)N)Nc2ccc(cc2)Cl	4QX	3-amino-5-[(4-chlorophenyl)amino]-n-(propan-2-yl)-1h-1,2,4-triazole-1-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O	4QY	2-acetamido-2-deoxy-6-o-phosphono-beta-d-glucopyranose
+C[C@@H](c1ccccc1)NC(=O)n2c(nc(n2)N)Nc3ccc(cc3)Cl	4QZ	3-amino-5-[(4-chlorophenyl)amino]-n-[(1s)-1-phenylethyl]-1h-1,2,4-triazole-1-carboxamide
+Cc1cc(ccc1Cl)Nc2nc(nn2C(=O)NC(C)C)N	4R0	3-amino-5-[(4-chloro-3-methylphenyl)amino]-n-(propan-2-yl)-1h-1,2,4-triazole-1-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OP(=O)(O)O	4R1	2-amino-2-deoxy-6-o-phosphono-beta-d-glucopyranose
+[H]/N=C(/N)\NC/C=C/C(=O)N1c2cc(c(cc2N(C3=C1C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)C)C	4R2	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[5-[(~{e})-4-carbamimidamidobut-2-enoyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+COc1cccc(c1)c2cc(c(c(c2)F)NC(=O)Nc3cncs3)F	4R5	1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea
+[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	4R7	methyl 6-[4-[[n-[2-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCC(=O)O	4R8	(6e,10z,13z,16z,19z)-4-oxodocosa-6,10,13,16,19-pentaenoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NC(=O)C)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O	4RA	[(2r,3r,4r,5s,6r)-3-acetamido-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C(=O)O	4RB	4-(6-{[(1r)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid
+c1cc(nc2c1nc([nH]2)NCCCN[C@@H]3CCNc4c3cc(cc4Cl)Cl)F	4RC	n-[(4r)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-n'-(5-fluoro-3h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+c1cc(nc2c1[nH]c(n2)NCCCN[C@@H]3CCOc4c3cc(cc4Cl)Cl)F	4RD	n-[(4r)-6,8-dichloro-3,4-dihydro-2h-chromen-4-yl]-n'-(5-fluoro-1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	4RF	tripalmitoylglycerol
+c1ccc(cc1)OCc2cccc(c2)C(=O)O	4RG	3-(phenoxymethyl)benzoic acid
+C[C@H](COCCOC)N	4RH	(2~{r})-1-(2-methoxyethoxy)propan-2-amine
+CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cn4)C(=O)O)/S2)C	4RJ	6-({4-[(z)-{(2z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid
+CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccnc(c3)Nc4ccc(cc4)c5[nH]nnn5)/S2)C	4RK	(2z,5z)-2-[(4-ethylphenyl)imino]-3-methyl-5-[(2-{[4-(1h-tetrazol-5-yl)phenyl]amino}pyridin-4-yl)methylidene]-1,3-thiazolidin-4-one
+CC[C@H](C)[C@@H](C(=O)NC(C)(C)C)NC(=O)C[C@H]1C(=O)N([C@H](C(=O)N1)CNC(=O)[C@H](CC(=O)O)N)Cc2ccccc2	4RL	n-{[(2s,5s)-1-benzyl-5-(2-{[(2s,3s)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-l-alpha-asparagine
+CCc1ccc(cc1)/N=C\2/N(C(=O)/C(=C/c3ccncc3)/S2)CCOC	4RM	(2z,5z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
+C[C@@H](CNCc1cc(cc(c1)Cl)Cl)CNc2[nH]c3cccnc3n2	4RN	(2s)-n-(3,5-dichlorobenzyl)-n'-(1h-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine
+c1cc2c(nc1)nc([nH]2)NCC(CNCc3cc(cc(c3)Cl)Cl)(F)F	4RO	n-(3,5-dichlorobenzyl)-2,2-difluoro-n'-(1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+c1cc2c(nc1)nc([nH]2)NCCCNCc3cc(cc(c3)Cl)Cl	4RP	n-(3,5-dichlorobenzyl)-n'-(1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+c1cc(nc2c1[nH]c(n2)NCCCNCc3cc(cc(c3)Cl)Cl)F	4RQ	n-(3,5-dichlorobenzyl)-n'-(5-fluoro-1h-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
+COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3	4RR	(4r)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
+CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	4RS	trehalose mono-butyrate
+CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2[C@]14CC[C@H]5[C@@]4(C5)CO)O)Cc6ccc(c(c6)Cl)F	4RT	(1r,2s,5r)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione
+c1ccc2c(c1)c(c(nn2)C(=O)N)N	4RU	4-aminocinnoline-3-carboxamide
+Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N	4RV	4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide
+C1CC[C@@H]2[C@H](C1)CSC(=N2)N	4RW	(4as,8ar)-4a,5,6,7,8,8a-hexahydro-4h-3,1-benzothiazin-2-amine
+c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@H]([C@H]3C2)SC(=N4)N	4RX	n-[(4s,4as,6s,8ar)-10-aminohexahydro-3h-4,8a-(epithiomethenoazeno)isochromen-6(1h)-yl]-3-chlorobenzamide
+c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@@]3(C2)CSC(=N4)N	4RY	n-[(4as,6s,8ar)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4h)-yl]-3-chlorobenzamide
+c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@@H]3[C@H](C2)CSC(=N3)N	4RZ	n-[(4as,6s,8ar)-2-amino-4a,5,6,7,8,8a-hexahydro-4h-3,1-benzothiazin-6-yl]-3-chlorobenzamide
+c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)COCC(COCc4cn(nn4)[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)(COCc7cn(nn7)[C@@H]8[C@@H]([C@@H]([C@H]([C@H](O8)CO)O[C@H]9[C@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)N	4S0	dendron d2-1
+CCCNc1ncc(c(n1)N[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO)c3nc4ccccc4s3	4S1	(1r,2s,3r,5r)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol
+c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)NC4CC4)N[C@@H]5C[C@@H]([C@H]([C@H]5O)O)CO	4S2	5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3h)-one
+c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)N[C@@H]5CCCNC5	4S3	5-(1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)-6-[(3r)-piperidin-3-ylamino]pyrimidin-4(3h)-one
+c1cc(ccc1C(=O)NCC(=O)O)NC(=O)c2cc(c([nH]2)Br)Br	4S4	n-(4-{[(4,5-dibromo-1h-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine
+CCCCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=N)O	4S7	1-{3-[(r)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium
+CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	4S8	n~3~-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-(2-sulfanylethyl)-beta-alaninamide
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)Br)C(=O)NO	4S9	tert-butyl [(1s)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2ccccc2)C(=O)NO	4SA	tert-butyl [(1s)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate
+c1ccc(cc1)[C@@H](CCN)C(=O)N/N=C/c2ccc(c(c2)Br)O	4SB	(2r)-4-amino-n'-[(1e)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](S2)COP(=O)(O)O)O	4SC	2'-deoxy-5-methyl-4'-thiocytidine 5'-(dihydrogen phosphate)
+C(C#N)C(CC#N)O	4SD	3-hydroxypentanedinitrile
+CC(C)[C@@H](/C=C(/C)\C(=O)O)NC	4SF	(2z,4s)-2,5-dimethyl-4-(methylamino)hex-2-enoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S)O	4SG	4-thio-alpha-d-glucopyranose
+c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CN4CCOCC4)CCCC3	4SH	n-benzyl-2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CC(C)(c1ccccc1)[C@@H](C(=O)O)NC	4SJ	n,beta,beta-trimethyl-l-phenylalanine
+CC(C)[C@@H](/C=C(/C)\C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)c1ccccc1)NC	4SL	n,beta,beta-trimethyl-l-phenylalanyl-n-[(3s,4z)-5-carboxy-2-methylhex-4-en-3-yl]-n,3-dimethyl-l-valinamide
+[S-][Mo](=S)(=S)[S-]	4SM	tetrathiomolybdate
+CC(=O)OC[C@H]1[C@H](C([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C	4SN	(6s)-1,3,4,5-tetra-o-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-l-altritol
+c1cc(ccc1C(=O)O)S(=O)(=O)N	4SO	4-sulfamoylbenzoic acid
+c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N	4SP	o6-cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
+C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O	4SQ	tetraglycine phosphinate
+COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3	4SR	(4s)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
+CCOc1cc2c(cc1OCC)[C@@H](N(C(=O)C2)c3ccc(cc3OCc4[nH]nnn4)C)c5ccc(cc5)Cl	4SS	(s)-2-(2-((2h-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4h)-one
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)CCCC4)NC)OC	4ST	1,2,3,4-tetrahydrogen-staurosporine
+C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	4SU	4-thiouridine-5'-monophosphate
+c1cncc(c1C(=O)O)N	4SV	3-aminopyridine-4-carboxylic acid
+C[C@@H](CO[C@H](C)COCCOC)N	4SW	(2~{s})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
+c1cc(c(cc1S(=O)(=O)O)O)O	4SX	3,4-dihydroxybenzenesulfonic acid
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO	4SY	tert-butyl {(1s)-2-(hydroxyamino)-1-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO	4SZ	tert-butyl [(1s)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate
+CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccccc3)Nc4ccc5c(c4)ccnc5N)NC(=O)C	4T0	n-{3-[(2r)-1-{(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide
+c1cc2cc(c1)NC(=O)CCCc3ccc(cc3)[C@H](C(=O)NC2)Nc4ccc5c(c4)ccnc5N	4T1	(2r)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO	4T2	tert-butyl {(1s)-2-(hydroxyamino)-1-[3'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate
+c1csc2c1nc(nc2Nc3cc([nH]n3)C4CC4)N5CCC(CC5)N	4T3	2-(4-aminopiperidin-1-yl)-n-(5-cyclopropyl-1h-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
+CC(C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C	4T4	(s)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4s)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4h)-one
+c1cnc(nc1Nc2cc(n[nH]2)C3CC3)NCC4CCC(CC4)N	4T5	n~2~-[(trans-4-aminocyclohexyl)methyl]-n~4~-(3-cyclopropyl-1h-pyrazol-5-yl)pyrimidine-2,4-diamine
+c1cc2c(c(c1CNc3nccc(n3)Nc4cc([nH]n4)C5CC5)Cl)[nH]cn2	4T6	n~2~-[(7-chloro-1h-benzimidazol-6-yl)methyl]-n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine
+c1ccc2cc(ccc2c1)[C@H](CO)O	4T7	(1r)-1-(naphthalen-2-yl)ethane-1,2-diol
+CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@@H](CO)N)O	4T8	5'-({[(2r,3r)-3-amino-2-({2-[(n-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-hydroxybutyl]sulfonyl}amino)-5'-deoxyadenosine
+COc1ccc(cc1OC)Nc2cc3c(cc([nH]3)c4c[nH]nc4)cn2	4T9	n-(3,4-dimethoxyphenyl)-2-(1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	4TA	p1-(5'-adenosyl)p4-(5'-(2'-deoxy-thymidyl))tetraphosphate
+c1cc(sc1)CCCC(=O)O	4TB	4-(2-thienyl)butyric acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)O)N	4TC	p1-(5'-adenosine)p4-(5'-uridine)-beta,gamma-methylene tetraphosphate
+C[C@H](COCC(COC[C@H](C)O)(COC[C@H](C)O)COC[C@H](C)O)O	4TD	(2s)-1-[3-[(2s)-2-oxidanylpropoxy]-2-[[(2s)-2-oxidanylpropoxy]methyl]-2-[[(2r)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol
+C[C@H]1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O	4TE	(1s,2r,3s,4r,5s)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
+CCCOC[C@@H]1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O	4TF	(1r,2s,3r,4s,5s)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC=O	4TG	dtdp-4,6-dideoxy-4-formamido-glucose
+CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)Cc5ccncc5	4TH	(s)-7-((r)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4h)-one
+[Ti+4]	4TI	titanium ion
+CC[N+]1=C(C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C)C=CC=CC=C3C(c4ccc(cc4N3CCCCCC(=O)NCCOCCOCCNC(=O)CCCc5[nH]c6c(n5)N(C(=O)N(C6=O)C)C)S(=O)(=O)O)(C)C	4TJ	2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2h-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3h-indolium-5-sulfonate
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO	4TK	n-[(1r)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO	4TL	n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO	4TM	n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide
+CCOc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C	4TN	(2e)-3-[3-(3-ethoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-4-hydroxyphenyl]acrylic acid
+c1cc(cc(c1)C(F)(F)F)c2ccc3c(n2)N([C@H]4CC[N@@]3C4)C(=O)Nc5cccc(c5)c6cnco6	4TO	(4s)-n-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2h)-carboxamide
+C([C@H]([C@@H](C(=O)O)N)O)OP(=O)(O)O	4TP	4-hydroxy-l-threonine-5-monophosphate
+C[C@H]1CN(c2ccc(nc2N1C(=O)Nc3cccc(c3)c4cnco4)c5cccc(c5)C(F)(F)F)C	4TQ	(3s)-1,3-dimethyl-n-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1h)-carboxamide
+c1cc(ccc1C#N)N(Cc2ccc(c(c2)Br)OS(=O)(=O)N)n3cnnc3	4TR	2-bromo-4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate
+c1ccc2c(c1)c3c([nH]2)-c4c(cn[nH]4)CCC3	4TT	4,5,6,11-tetrahydro-1h-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole
+c1cc2c(cc1Cl)CCN2C(=O)N	4TU	5-chloranyl-2,3-dihydroindole-1-carboxamide
+Cn1cc(cn1)c2ccc(cc2)c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl	4TV	8-{3-chloro-5-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one
+CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2cc(cs2)c3ccnc(c3)F	4TW	n-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide
+Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C	4TX	5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
+CC(C)(C)OC(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO	4TY	tert-butyl [(1r)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
+c1cc(ccc1CN(c2ccc(cc2)C#N)n3cnnc3)OS(=O)(=O)N	4TZ	4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenyl sulfamate
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)O)O)O)O	4U0	(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal  actopyranosyl-(1->4)-beta-d-glucopyranose
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O	4U1	(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal  actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O	4U2	(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->3)-beta-d-gal  actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Cl)COP(=O)(O)O)O	4U3	5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate)
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO	4U5	n-{(1r)-2-(hydroxyamino)-1-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO	4U6	n-{(1r)-2-(hydroxyamino)-1-[3'-(n'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide
+[B-](CCCC[C@@](C(F)F)(C(=O)O)N)(O)(O)O	4U7	[(5s)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-)
+CC(C)Oc1ccc(cc1)n2c3ccc(cc3cc2C(=O)O)c4ccc(cc4)C(C)(C)C	4U8	5-(4-tert-butylphenyl)-1-[4-(propan-2-yloxy)phenyl]-1h-indole-2-carboxylic acid
+c1cc(c(c(c1)Cl)c2[nH]c(c(n2)Br)c3ccc(nc3)C#Cc4ccc(cc4)C(F)(F)F)F	4U9	5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1h-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine
+Cc1ccc(cc1)CNC(=O)N2CCC(CC2)(CNS(=O)(=O)c3cc(ccc3OC)C)c4ccccc4	4UA	4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-n-(p-tolylmethyl)piperidine-1-carboxamide
+c1ccc(cc1)c2cnc3n2cc(nc3)c4c[nH]nc4	4UB	3-phenyl-6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine
+CCOc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)Nc4ccc(cc4)S(=O)(=O)NC(=O)C	4UC	n-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
+C1C=NO[C@@H]1[C@@H](C(=O)O)N	4UD	(2s)-amino[(5s)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
+CCOC(=O)c1cc2cc(ccc2[nH]1)c3cncn3C	4UE	ethyl 5-(1-methyl-1h-imidazol-5-yl)-1h-indole-2-carboxylate
+CCOC(=O)c1cc2cc(ccc2[nH]1)c3cc(nn3C)C(=O)NCc4ccc(cc4)C(=O)O	4UF	4-{[({5-[2-(ethoxycarbonyl)-1h-indol-5-yl]-1-methyl-1h-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid
+C1C[C@H](C(=O)NC1)C[C@@H]([C@H](C#N)O)N	4UG	(2~{r},3~{s})-3-azanyl-2-oxidanyl-4-[(3~{s})-2-oxidanylidenepiperidin-3-yl]butanenitrile
+C[C@H]1/C=C/C/C=C/CCCCCCCCC[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O	4UH	(1r,3s,5r,6r,9r,11r,15s,16r,17r,18s,19e,22e,33s,35s,36r,37s)-33-[(3-amino-3,6-dideoxy-beta-d-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,22-diene-36-carboxylic acid
+c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl	4UJ	2-chloro-n-(4-phenyl-1,3-thiazol-2-yl)benzamide
+CC(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]cc(n2)c3ccc(cc3)Cl)C(F)F	4UK	n-[4-(4-chlorophenyl)-1h-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide
+Cc1c(nc([nH]1)NC(=O)c2cc(cnc2C(F)F)CNC(=O)C(C)C)c3ccc(cc3)C(F)(F)F	4UL	2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-n-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-2-yl}pyridine-3-carboxamide
+CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)N	4UM	ethyl 5-carbamoyl-1h-indole-2-carboxylate
+Cc1nc(no1)C(Cc2ccccc2)(Cc3ccc(cc3)NS(=O)(=O)O)c4nc(on4)C	4UN	{4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O	4UO	2,3-dihydroxanthosine
+[H]/N=C(/c1ccc2cc(ccc2c1)[C@H]3[C@@H](O3)c4ccccc4)\N	4UP	6-[(2s,3s)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide
+CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]2CCCN(C2)c3ccc(c(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)C(=O)N	4UQ	6-{(3r)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N	4UR	3'2'-cgamp
+CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5Cl	4US	4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9h-carbazole-1-carboxamide
+CCN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4ccc(cc4n[nH]3)c5cccc(c5)OC	4UT	4-(4-ethylpiperazin-1-yl)-n-[6-(3-methoxyphenyl)-2h-indazol-3-yl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CCC(=O)C=C4)O)O)N	4UU	5'-o-[(r)-hydroxy{[(2e)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CC(=O)C(=O)C=C4)O)O)N	4UV	5'-o-[(r)-{[(2e)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine
+COC1=CC(=CCC1=O)/C=C/C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	4UW	5'-o-[(r)-hydroxy{[(2e)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)N	4UX	(3r,3as,4r,6ar)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)OC	4UY	(3r,3as,4r,6ar)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1ccc(cc1)COC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O	4UZ	2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-d-glucopyranose
+C1C=C(C=CN=C1)C[C@@H](C(=O)O)N	4V0	3-(3h-azepin-5-yl)-l-alanine
+Cc1cc(cc(c1O)C)C2=Nc3c(c4c(s3)CN(CC4)C)C(=O)N2	4V1	2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3h)-one
+c1cc(cc(c1)O)c2nnc(o2)S	4V2	3-(5-mercapto-1,3,4-oxadiazol-2-yl)-phenol
+c1ccc2c(c1)C=C(S2(=O)=O)COC(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O)CO)O)O	4V3	2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-d-glucopyranose
+Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC	4V4	n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)-n1,n2-dimethylethane-1,2-diamine
+c1cc(ccc1CCC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)O	4V5	2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-d-glucopyranose
+C[C@@H]1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C	4V6	(3r)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+c1c(cnc2c1c(c([nH]2)CO)c3ncc(c(n3)N[C@H]4CCC[C@H](C4)NC(=O)N5CCCC5)F)F	4V7	n-[(1r,3s)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide
+c1ccc(cc1)CN2C=CC(=CC2=O)N3CCc4c(c([nH]n4)c5ccncc5)C3	4V8	1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1h)-one
+c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2	4V9	3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine
+CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)N	4VA	(2s)-4-amino-n-[(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium
+c1cnccc1c2c3c(n[nH]2)CCN(C3)C4=CC(=O)NC=C4	4VB	4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1h)-one
+c1ccc(c(c1)NC(=O)NCc2cccnc2)Cl	4VC	1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea
+Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F	4VD	n-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
+Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)[C@H](C)Nc4nc5cc(ccc5o4)F	4VE	n-(5-{(1s)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
+c1cc(cc(c1)Cl)[C@@H](CO)N2CCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5	4VF	2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2h)-one
+c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5	4VG	2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2h-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepin-1-one
+c1ccc(cc1)OCC(=O)N[C@@H](Cc2cn(nn2)CCNC(=O)c3ccc(cc3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)NCCO	4VH	n-[2-[4-[(2s)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide
+[H]/N=C(/C/C=C/N/C(=N\[H])/N)\C(=O)O	4VI	(2z,4e)-5-carbamimidamido-2-iminopent-4-enoic acid
+c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)N[C@H]5CC[C@H](C5)O	4VJ	2-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1s,3r)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1h-pyrrolo[1,2-a][1,4]diazepin-1-one
+c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)c3cccc(c3)CO	4VK	n-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide
+c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)F	4VL	1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid
+c1cc2cc(ccc2nc1)CNC(=O)C3CCN(CC3)c4ccc(cn4)c5cc(ccc5F)CO	4VM	1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-n-(quinolin-6-ylmethyl)piperidine-4-carboxamide
+c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)Cl	4VN	1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid
+C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@H]2c7ccccc7)OC	4VO	(2s,3s,3ar,5ar,6r,11br,11cs)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1h-6,11b-(epiminoethano)-3,5a-m ethanonaphtho[2,1-g]indol-10-ol
+C=Cc1ccc(cc1)O	4VP	4-ethenylphenol
+Cc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N	4VQ	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid
+CCCC1=CC(=O)n2c(nc(n2)NCc3ccc(cc3)Br)N1	4VR	2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4h)-one
+CCC1=CC(=O)n2c(c(c(n2)C)C#N)N1	4VS	5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1ccc(cc1)CC2=CC(=O)n3c(c(cn3)C#N)N2	4VT	5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1cc(cnc1)[C@H]2CC3CCN2CC3	4VU	(2r)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane
+C1N(/C(=C/NO)/N=C1)CCCCCCCN2/C(=C/NO)/N=CC2	4VV	(z,z)-[heptane-1,7-diylbis(1h-imidazol-1-yl-2-ylidene)]bis(n-hydroxymethanamine)
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccc(cc3)N	4VW	5-[(2s)-2-[[(4-aminophenyl)carbonylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid
+CN(CCO)c1ccc(cn1)Br	4VY	2-[(5-bromo-2-pyridyl)-methyl-amino]ethanol
+CCOc1cc(ccc1O)/C=C\2/C(=O)NC(=S)S2	4VZ	(5~{z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+CC1=C(Nc2cccc(c2C1=O)F)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F	4W0	5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1h)-one
+c1ccc2c(c1)c(cs2)CO	4W1	1-benzothiophen-3-ylmethanol
+CCCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3F)Cl)C#N)N1	4W4	5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CCOC(=O)c1ccc2c(c1)c[nH]n2	4W5	ethyl 2h-indazole-5-carboxylate
+CCCC1=CC(=O)n2c(c(c(n2)CC(=O)N3CCCC3)C#N)N1	4W6	7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)c3cc4c([nH]3)cccc4OC)C(=O)N[C@@H](C[C@@H]5CCNC5=O)[C@@H](c6nc7ccccc7s6)O)C	4W8	(1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1h-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+CC[C@@H]1C[C@@]2(C=C([C@@H](C[C@@]23C(=C(C(=O)[C@@]4([C@@H](CC[C@H]5[C@H]4CCC[C@@H]5O)C[C@H]1O)C)C(=O)N3)O)C)C)C	4W9	(4s,4as,6as,8r,9r,10ar,13r,14as,18ar,18br)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1h-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15h,17h)-dione
+c1cc(ccc1N)N=Nc2ccc(cc2)S(=O)(=O)N	4WA	4-[(e)-(4-aminophenyl)diazenyl]benzenesulfonamide
+C1CCC(CC1)C[C@@H](C(=O)O)O	4WC	(s)-cyclohexyl lactic acid
+COc1ccc(cc1C#C)/C=C\2/C(=O)NC(=S)S2	4WD	(5~{z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)NCCN4CCCCC4)F	4WE	4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)-n-[2-(piperidin-1-yl)ethyl]benzamide
+c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O	4WF	5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione
+CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O	4WG	2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+Cc1cc(c(cc1OC)OC)n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C(C)(C)C)C	4WH	4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1h-1,2,3-triazole
+[H]/N=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F	4WI	(1r,2s,5s)-n-{(1e,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-(trifluoroacetyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
+c1c(cn(n1)C2CC[NH2+]CC2)Br	4WJ	4-(4-bromo-1h-pyrazol-1-yl)piperidinium
+C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)[NH3+]	4WK	(2s)-1-{[(2s)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium
+c1csc2c1[nH]c(c2)C(=O)O	4WL	4h-thieno[3,2-b]pyrole-5-carboxylic acid
+CC(C)(C)O[C@@H](N[C@H](CCC(O)O)C[Se][C@H]1CCCC=C1)O	4WM	(4r)-4-{[(s)-tert-butoxy(hydroxy)methyl]amino}-5-[(1s)-cyclohex-2-en-1-ylselanyl]pentane-1,1-diol
+Cn1ccnc1CCN2CCc3cccc(c3C2)N	4WN	2-[2-(1-methyl-1h-imidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+COC(=O)CCN1CCc2cccc(c2C1)N	4WO	methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1h)-yl)propanoate
+COC(=O)CCN1CCc2ccccc2C1	4WP	methyl 3-(3,4-dihydroisoquinolin-2(1h)-yl)propanoate
+CC(C)(C)CCCC[C@@H](C(=O)O)N	4WQ	(2s)-2-amino-7,7-dimethyloctanoic acid
+C1=C(C(=O)NC(=O)N1C[C@@H](CN)N)F	4WR	1-[(2r)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1h,3h)-dione
+CC(=O)NC[C@@H]1[C@H]([C@@H]([C@@H]2N1CC[C@@H]2O)O)O	4WS	n-{[(1r,2r,3r,7s,7ar)-1,2,7-trihydroxyhexahydro-1h-pyrrolizin-3-yl]methyl}acetamide
+CC1(CNCc2c1cccc2)C	4WT	4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
+c1cc2c(c(c1)N)CNCC2	4WU	1,2,3,4-tetrahydroisoquinolin-8-amine
+C1OC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	4WV	bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(oxydimethanethiolate-1kappas:2kappas)diiron(2+)
+C1C[S]2[Fe]3(C(=O)[Fe]2([S]3C1)(C#N)C#[O+])(C#N)C#[O+]	4WW	bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~s~1~,s~3~:2kappa~2~s~1~,s~3~] diiron(2+)
+C1SC[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	4WX	bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappas:2kappas)diiron(2+)
+C(C(=O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O	4WY	{[(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
+C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	4WZ	{[(1r,3s,4s,5r,6s)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid)
+c1ccc2c(c1)CCN(C2)CCCN	4X1	3-(3,4-dihydroisoquinolin-2(1h)-yl)propan-1-amine
+c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=CNC2=O	4X2	(2-{[(2s)-1-hydroxy-3-(6-oxo-1,6-dihydro-9h-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid
+CCN1CCc2c(cccc2N)C1	4X3	2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine
+COc1ccc2c([nH]1)c(c3n2cc4c3nccc4)CCNC(=O)c5ccco5	4X4	n-[2-(2-methoxy-1h-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide
+CN1CCc2c(cccc2N)C1	4X6	2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
+c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=C(NC2=O)N	4X7	(2-{[(2s)-1-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid
+Cc1c(ccnc1CN2CCc3cccc(c3C2)N)N	4X8	2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+Cc1c(c(c(c(n1)C)Cl)O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F	4X9	3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol
+Cc1cc2cn(cc2cc1C)c3cccc(c3)C(=O)N/N=C/c4ccco4	4XA	3-(5,6-dimethyl-2h-isoindol-2-yl)-n'-[(e)-furan-2-ylmethylidene]benzohydrazide
+Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC	4XB	3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate
+CNC(=O)CCN1CCc2cccc(c2C1)N	4XC	3-(8-amino-3,4-dihydroisoquinolin-2(1h)-yl)-n-methylpropanamide
+COCCN1CCc2cccc(c2C1)N	4XD	2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
+C1CCN(CC1)C(=O)CN2CC[NH2+]CC2	4XE	4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium
+C[C@@H](C(=O)Nc1cccc(n1)N)[NH3+]	4XF	(2s)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium
+CN(C)CCCN1CCc2cccc(c2C1)N	4XG	2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+c1cc2c(cccn2)c(c1)Br	4XH	5-bromoquinoline
+COCC(COC)N1CCc2cccc(c2C1)N	4XJ	2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine
+c1cc2c(c(c1)N)CCN(C2)CCCOC3CCOCC3	4XK	2-[3-(tetrahydro-2h-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
+c1cc2c(c(c1)N)CN(CC2)CCCN3CCOCC3	4XL	2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+c1cc2c(c(c1)N)CN(CC2)CCCOC3CCOCC3	4XM	2-[3-(tetrahydro-2h-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
+Cn1c2ccc(cc2cn1)c3ccc(cc3)C4=NC5(CC5)C(=O)N4C[C@@H]6CCN(C6)C(=O)C7CC7	4XN	6-{[(3r)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1h-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
+Cc1cc2cc(cn2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N	4XO	6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile
+Cn1cc(nn1)CCCc2cn(nn2)C	4XP	4,4'-propane-1,3-diylbis(1-methyl-1h-1,2,3-triazole)
+CCCn1cc(nn1)CCCCCc2cn(nn2)CCC	4XQ	4,4'-pentane-1,5-diylbis(1-propyl-1h-1,2,3-triazole)
+C1C=C(O[C@@H]([C@@H]1N)O)CN	4XR	(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-ol
+Cc1c(nc(nc1Cl)C2CC2)Cl	4XS	4,6-dichloro-2-cyclopropyl-5-methylpyrimidine
+Cc1c(nc(nc1Cl)OCCCc2ccc3ccccc3n2)NCc4c(nc(s4)C)C	4XU	6-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine
+Cc1c(nc(nc1Cl)C2CC2)N	4XV	6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
+C[C@H]1CC=CC([C@H]1CC[C@H](C)CCC[C@@H](C)CC(=O)O)(C)C	4XW	(5s,6s,9r,13r)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid
+CC1=C(C(=O)CO1)O	4XX	4-hydroxy-5-methylfuran-3(2h)-one
+CCCNc1c(c(nc(n1)C2CC2)Cl)C	4XY	6-chloro-2-cyclopropyl-5-methyl-n-propylpyrimidin-4-amine
+COc1ccc(cc1OC)C(=O)Nc2cc([nH]n2)c3ccccc3	4Y0	3,4-dimethoxy-n-(5-phenyl-1h-pyrazol-3-yl)benzamide
+Cc1c(nc(nc1Cl)OCCc2ccccn2)NCc3c(nc(s3)C)C	4Y1	6-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine
+Cc1c(nc(nc1Cl)C2CC2)NCc3c(nc(s3)C)C	4Y2	6-chloro-2-cyclopropyl-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine
+C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F	4Y3	[[(2s,5r)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CCCNC[C@H](COc1ccccc1C(=O)CCc2ccccc2)O	4Y4	1-[2-[(2r)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one
+c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)c4ccc(cc4F)C(=O)O)F)C(F)(F)F	4Y5	4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1h-indazol-3-yl}-3-fluorobenzoic acid
+C[C@@]1(CCC(=CC1)c2c3c(cccc3F)n(n2)C(=O)c4c(cccc4Cl)C(F)(F)F)C(=O)O	4Y6	(1s)-4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1h-indazol-3-yl}-1-methylcyclohex-3-ene-1-carboxylic acid
+c1cc(c(c(c1)Cl)C(=O)n2c3cccnc3c(n2)c4cc(c(cc4F)C(=O)O)O)C(F)(F)F	4Y7	4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1h-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid
+CC(=O)CO	4Y8	1-hydroxypropan-2-one
+CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O	4YA	hexyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside
+c1ccc(c(c1)C(=O)CCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(=O)O	4YB	5'-o-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine
+C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CC(c3c2cc(cc3)Cl)(C)C	4YC	(2r)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1h-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium
+C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCCC2	4YD	(2r)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium
+C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cccc3	4YE	(2r)-4-[2-(2,3-dihydro-1h-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium
+C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cc(nc3)Cl	4YF	(2r)-4-[2-(6-chloro-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium
+CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C2(C)C)NS(=O)(=O)C	4YG	(1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[n-(methanesulfonyl)-l-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+CC(C)[C@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC	4YH	(2s)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
+COc1cc(ccc1NC(=O)c2ccccc2Cl)/N=N/c3ccccn3	4YI	2-chloranyl-~{n}-[2-methoxy-4-[(~{e})-pyridin-2-yldiazenyl]phenyl]benzamide
+COc1ccc-2c(c1)NC(=O)c3c2c4ccccc4s3	4YK	3-methoxy[1]benzothieno[2,3-c]quinolin-6(5h)-one
+C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cl)(C)C	4YL	(2r,5r)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium
+CCOC(=O)c1cnc2c(c1[N@]3CCO[C@@H](C3)CN)c(n[nH]2)c4cccc(c4)C#N	4YM	ethyl 4-[(2r)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxylate
+C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cc4ccccc4)(C)C	4YN	(2r,5r)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium
+c1cc2c(cc1Br)NCC(=O)N2	4YO	6-bromo-3,4-dihydroquinoxalin-2(1h)-one
+CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CCC=C(C)C	4YP	2-amino-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
+C1CC1c2c(sc(n2)OCCO)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O	4YQ	4-cyclopropyl-2-(2-hydroxyethyloxy)-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide
+c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N[C@@H]4CCN(C4)CC5CC5)F	4YR	n-[(3r)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-[(2,4-dioxo-3,4-dihydroquinazolin-1(2h)-yl)methyl]-2-fluorobenzamide
+c1ccc2c(c1)C=CNC2=O	4YS	isoquinolin-1(2h)-one
+CCc1nnc2n1c3cc(ccc3c(c2)C)OC	4YT	1-ethyl-8-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinoline
+Cc1c(c2cc(ccc2n1C)OC)C(=O)NCC=CC(=O)OC	4YU	methyl (2e)-4-{[(5-methoxy-1,2-dimethyl-1h-indol-3-yl)carbonyl]amino}but-2-enoate
+COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)ncn4C5CCCC5	4YV	1-cyclopentyl-n-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1h-imidazo[4,5-c]pyridin-6-amine
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)S(=O)(=O)C	4YW	2-methyl-n-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)(CCN)OC	4YX	n-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O	4YY	n-[(1-fluorocyclopropyl)carbonyl]-3-methyl-l-valyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide
+c1cc(ccc1SCCC(=O)O)Cl	4YZ	3-[(4-chlorophenyl)sulfanyl]propanoic acid
+c1cc(sc1)C(=O)OC=CC(=O)C(=O)O	4Z0	(3e)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid
+c1cc(c(cc1Cl)Cl)NNC(=O)C(=O)O	4Z1	[2-(2,4-dichlorophenyl)hydrazinyl](oxo)acetic acid
+c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3ccnc(c3)NC4CCC4)O	4Z2	2-(cyclobutylamino)-n-[(2s)-3-(3,4-dihydroisoquinolin-2(1h)-yl)-2-hydroxypropyl]pyridine-4-carboxamide
+c1ccc(c(c1)NC(=O)C=NO)Br	4Z3	(2e)-n-(2-bromophenyl)-2-(hydroxyimino)acetamide
+c1c(c(cc(c1F)Cl)Cl)C(=O)O	4Z4	2,4-dichloro-5-fluorobenzoic acid
+Cc1cc(c(cc1c2cc3cnc(nc3nc2C)NC)NC(=O)NCCC(C)(C)C)F	4Z5	1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)C(=O)N	4Z8	2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)O	4Z9	(2r)-2-hydroxy-3-(1h-indol-3-yl)propanoic acid
+c1csc2c1cc([nH]2)C(=O)O	4ZA	6h-thieno[2,3-b]pyrrole-5-carboxylic acid
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@](C4)(C)C(=O)N	4ZB	(3r)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide
+c1cc(c(cc1Cl)C#N)O	4ZC	5-chloro-2-hydroxybenzonitrile
+c1ccc(cc1)SC=CC(=O)O	4ZD	(2e)-3-(phenylsulfanyl)prop-2-enoic acid
+Cc1cc(ccc1O)N	4ZE	4-amino-2-methylphenol
+c1ccc2c(c1)/C(=C\3/C=C(NN3)C(=O)O)/C=N2	4ZF	(5e)-5-(3h-indol-3-ylidene)-2,5-dihydro-1h-pyrazole-3-carboxylic acid
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)NCC(C)(C)S(=O)(=O)C	4ZG	n~2~-[2-methyl-2-(methylsulfonyl)propyl]-n~4~-[2-methyl-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)OCC(C)(C)S(=O)(=O)C	4ZH	2-methyl-n-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC	4ZJ	n-[2-[(3r,4s)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
+c1c(cc(c(c1c2cc(cnc2)O)Cl)Cl)C[C@@H](C(=O)O)N	4ZK	3,4-dichloro-5-(5-hydroxypyridin-3-yl)-l-phenylalanine
+CCOC(=O)CNC(=O)NCc1ccccc1	4ZL	ethyl n-(benzylcarbamoyl)glycinate
+CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2	4ZM	ethyl n-{[3-(pyridin-4-yl)benzyl]carbamoyl}glycinate
+CC(C)C[C@H](CP(=O)([C@H](c1ccccc1)N)O)C(=O)O	4ZN	(2s)-2-{[(r)-[(r)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid
+CCOC(=O)CNC(=O)NCc1ccc(cc1)NC(=O)C	4ZO	ethyl n-{[4-(acetylamino)benzyl]carbamoyl}glycinate
+CCOC(=O)CNC(=O)NCc1cccc(c1)c2cccnc2	4ZP	ethyl n-{[3-(pyridin-3-yl)benzyl]carbamoyl}glycinate
+C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC)O	4ZQ	(1r)-1-{6-({2-[(3r,4s)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2s)-1,1,1-trifluoropropan-2-yl]-1h-imidazo[4,5-c]pyridin-2-yl}ethanol
+C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@H]([C@H](C4)F)OC)O	4ZR	(1r)-1-{6-({2-[(3s,4r)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2s)-1,1,1-trifluoropropan-2-yl]-1h-imidazo[4,5-c]pyridin-2-yl}ethanol
+Cc1cn2c(cc1CN(C)C)nc(c2c3ccnc(n3)NCC4CC4)c5ccc(c(c5)NS(=O)(=O)C)F	4ZS	n-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide
+CCOC(=O)[C@H](CCSC)NC(=O)NCc1ccc(cc1)N	4ZT	ethyl n-[(4-aminobenzyl)carbamoyl]-l-methioninate
+c1cc(cc2c1cc([nH]2)C(=O)O)Br	4ZU	6-bromanyl-1h-indole-2-carboxylic acid
+c1cc2c(cc[nH]2)cc1C(=O)O	4ZV	1h-indole-5-carboxylic acid
+c1cc2c(cc1C(=O)NC3CCNCC3)CC(=O)N2	4ZW	2-oxidanylidene-n-piperidin-4-yl-1,3-dihydroindole-5-carboxamide
+c1ccc(cc1)CNC2CCN(CC2)S(=O)(=O)N3[C@@H]4CC[C@H]3CC(C4)NC(=O)c5cc6c(cc5Cl)NC(=O)C6	4ZX	6-chloranyl-2-oxidanylidene-n-[(1s,5r)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide
+c1cc(ccc1CN)N	4ZY	4-(aminomethyl)aniline
+CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2N	4ZZ	ethyl n-{[3-(3-aminopyridin-4-yl)benzyl]carbamoyl}glycinate
+CCCCNc1cc(nc2n1nc(n2)Nc3cc(ccc3C)Cl)C	501	n7-butyl-n2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
+CCOC(=O)CNC(=O)NCc1ccnc(c1)N	502	ethyl n-{[(2-aminopyridin-4-yl)methyl]carbamoyl}glycinate
+COc1c(c2cc(ccc2[nH]1)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)c4ccccc4	503	[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{h}-indole-3-carboxylate
+c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5	504	2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-n-[4-(1h-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
+Cc1cccc(c1OC[C@@H](C)N)C	505	(2r)-1-(2,6-dimethylphenoxy)propan-2-amine
+c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N	506	(2e)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile
+CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NC4CCOCC4	507	1-{3-[6-(tetrahydro-2h-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone
+c1ccc(cc1)[C@@H]2CCN([C@@H](C2)c3ccccc3)C(=O)[C@@H]4CNC[C@]45CCCc6c5cccc6	508	(1r,4's)-3,4-dihydro-2h-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2s,4r)-2,4-diphenylpiperidin-1-yl]methanone
+c1ccc(cc1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br	509	4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-carboxylic acid
+C([C@@H]1[C@H]([C@H]([C@H](O1)O)F)O)OP(=O)(O)O	50A	2-deoxy-2-fluoro-5-o-phosphono-alpha-d-ribofuranose
+COc1ccc2c(c1OC)c[n+]3c(c2CCCC(c4ccccc4)c5ccccc5)-c6cc7c(cc6CC3)OCO7	50B	13-diphenylalkyl berberine
+Cc1c(n[nH]c1N)c2ccc(cc2)F	50C	3-(4-fluorophenyl)-4-methyl-1h-pyrazol-5-amine
+c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5	50D	2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile
+CC(C)n1c(cc(n1)Nc2cc(ccn2)C(F)(F)F)C3CCNCC3	50E	n-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
+c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5	50F	2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile
+c1c(nnn1[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)CO)COCC(COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)(COCc5cn(nn5)[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)N	50G	dendron-d1
+COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)N	50H	3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzamide
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N4CCCCCC4)N	50I	3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-ncarbamimidoyl-pyrazine-2-carboxamide
+CNC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(c(c5)OC)OC	50J	3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}-n-[4-(methylcarbamoyl)phenyl]benzamide
+[H]/N=C(/c1ccc2c(c1)cc([nH]2)c3cccc(n3)C4(CCCCC4)O)\N	50K	2-[6-(1-hydroxycyclohexyl)pyridin-2-yl]-1h-indole-5-carboximidamide
+C1=C[N]2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=NC2=O)N	50L	[(2r,3s,4r,5r)-5-(4-azanyl-2-oxidanylidene-1$l^{4},3,5,7-tetrazabicyclo[4.3.0]nona-1(6),3,8-trien-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H]1CN2c3ccc(cc3C[C@]4([C@H]2[C@@H](O1)C)C(=O)NC(=O)N=C4O)[N+](=O)[O-]	50M	(2r,4s,4as,5r)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'h)-dione
+c1c(c(nc(c1[N+](=O)[O-])N)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	50N	(1s)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-o-phosphono-d-ribitol
+CNc1c2c(c3cc(n(c3n1)C[C@@H](CO)O)C(=O)N(C4CC4)C5CC5)n(cn2)C	50O	n,n-dicyclopropyl-6-[(2s)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
+CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3ccccc3	50P	7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl	50Q	5-(3,4-dichloro-phenoxy)-benzene-1,3-diol
+CNC(=O)c1cc2c(cncc2s1)Oc3ccc(cc3)I	50R	4-(4-iodophenoxy)-n-methylthieno[2,3-c]pyridine-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N	50T	adenosine-5'-phosphovanadate
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3)\N	50U	(s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide
+CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6	50V	n,n-dicyclopropyl-4-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
+CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6	50W	n,n-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
+c1ccc2c(c1)nc(n2Cc3ccc(s3)CNC(=O)[C@@H]([C@H](C(=O)N4CCC[C@@H]4c5cccc(c5)Cl)O)O)C(F)(F)F	50X	(2r,3r)-4-[(2r)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-n-[(5-{[2-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide
+CCn1c(cc2c1nc(c3c2n(cn3)C)NCCCOC)C(=O)N(C4CC4)C5CC5	50Y	n,n-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
+C=CCNc1nc(c(s1)C(=O)c2ccccn2)N	50Z	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone
+COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)OS(=O)(=O)N	510	methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox  ylate
+COc1ccc2c(c1)c(cn2C(=O)c3ccc(cc3)Cl)CC(=O)O	511	[1-(4-chlorobenzoyl)-5-methoxy-1h-indol-3-yl]acetic acid
+c1c(c(c(s1)C(=O)O)OCC(=O)O)Br	512	4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
+c1cc2c(cc1Br)c(cs2)CN	513	1-(5-bromo-1-benzothiophen-3-yl)methanamine
+CC(=O)[N+]1=CC\2=C(C1)N=N/C2=N/C(=O)c3ccccc3	514	(3z)-5-acetyl-3-(benzoylimino)-3,6-dihydropyrrolo[3,4-c]pyrazol-5-ium
+CC(=O)N[C@@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)C(=O)NCCCCCOc4cc5ccccc5cc4C(=O)O	515	3-({5-[(n-acetyl-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-1-naphthyl}-l-alanyl)amino]pentyl}oxy)-2-naphthoic acid
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc(cs3)c4cccc5c4cccc5)NC	516	n-{(1s)-1-cyclohexyl-2-[(2s)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-n~2~-methyl-l-alaninamide
+CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)NC(=O)N	517	1-{2-oxo-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-5-yl}urea
+CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)NC(=O)c4cc5ccccc5o4	518	n-[4-(5-{[(1s)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
+CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C(C)C	519	1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea
+c1ccc(cc1)C(=O)Nc2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F	51A	n-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide
+CNc1ncc(cn1)CN2CCC[C@@H](C2)C3=NC(=O)C=C(N3)c4cccs4	51B	2-[(3s)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4(1h)-one
+CCCCCCCO[C@H]1CO[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO	51C	(6r)-1,6-anhydro-2-o-heptyl-6-(hydroxymethyl)-d-galactitol
+c1cnn(c1)c2cc(ncn2)c3cc(cc(c3F)Cl)C#N	51D	3-chloro-4-fluoro-5-[6-(1h-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile
+c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N	51E	3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile
+Cc1nccn1CCO	51F	2-(2-methyl-1h-imidazol-1-yl)ethanol
+C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC	51G	gentamicin c1
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O[C@H]5[C@@H](C[C@@H]([C@H]([C@@H]5O)O[C@@H]6[C@@H](C[C@@H]([C@H](O6)CN)O)N)N)N)CO)O)N)O)O)N	51H	adenylyl-2"-tobramycin
+CC#CCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N	51J	2-(but-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)CCc3nnco3	51K	2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole
+Cc1cc(c(c(c1C)S(=O)(=O)Nc2ccc(c3c2cccc3)N4CC[C@@H](C4)C(=O)O)C)C	51M	(3s)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)OP(=O)(O)O	51N	5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-1-o-phosphono-alpha-d-ribofuranose
+Cn1c2c([n+](c1[Au+]c3n(c4c([n+]3C)N(C(=O)N(C4=O)C)C)C)C)N(C(=O)N(C2=O)C)C	51O	au(caffein-2-ylidene)2
+C/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	51P	5-[(1z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+C[C@@H](C(=O)O)SC1=NN=C(NC1=O)O	51Q	(2s)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid
+c1cc(cc(c1)N)C(F)(F)F	51R	3-(trifluoromethyl)aniline
+Cc1ccc(c(c1)C)N	51S	2,4-dimethylaniline
+c1c(c(c(c(c1F)C[C@@H](C(=O)O)N)F)F)O	51T	2,3,6-trifluoro-l-tyrosine
+Cc1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	51U	d-phenylalanyl-n-(3-methylbenzyl)-l-prolinamide
+Cc1ccccc1N	51V	2-methylaniline
+c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCN)I	51W	n-[3-({4-[(3-aminopropyl)amino]-5-iodopyrimidin-2-yl}amino)phenyl]pyrrolidine-1-carboxamide
+c1ccc2c(c1)C(=O)N(C2=O)CC(=O)O	51X	(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetic acid
+Cc1c(ccc(c1Cl)C#N)N[C@@H]2CCC[C@@]2(C)O	51Y	2-chloro-4-{[(1r,2r)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile
+c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)C(=O)c3ccc(cc3)N	520	4'-(4-aminobenzoyl)biphenyl-4-sulfonamide
+c1ccc(cc1)c2c(c(cs2)N3CC(=O)NS3(=O)=O)Cl	521	5-(4-chloro-5-phenyl-3-thienyl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)[C@H](C)OO)C)CCC(=O)O)C	522	peroxidized heme
+CC1=C(NC(=O)[N+](=C1)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N	523	2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate)
+CN(C)C(=O)[C@@H](C1CCC(CC1)c2cccc3n2ncn3)[C@@H](C(=O)N4CC[C@@H](C4)F)N	524	(2s,3s)-3-amino-4-[(3s)-3-fluoropyrrolidin-1-yl]-n,n-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-5-ylcycloh exyl)butanamide
+CC(C)(C)[C@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F	525	(3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4r)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+CC(C)(C)[C@@H]1Cc2cc(ccc2S(=O)(=O)N(C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CCOC4)O)F	526	(3s)-tetrahydrofuran-3-yl {(2s,3r)-4-[(4s)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)C(=O)O)OCC(=O)O)Br	527	5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
+CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	528	(2s)-2-[3-(aminomethyl)phenyl]-3-{(r)-hydroxy[(1r)-2-methyl-1-{[(3-phenylpropyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid
+C[C@@H](c1ccc(cc1)N2CCNC2=O)C(=O)/N=C/3\C=C(N=N3)C4CC4	529	(2s)-n-[(3z)-5-cyclopropyl-3h-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
+C1[C@@H](NC[C@]1(C(=O)O)N)C(=O)O	52A	(2r,4r)-4-aminopyrrolidine-2,4-dicarboxylic acid
+c1c(cc(c2c1C=C([C@H](O2)C(F)(F)F)C(=O)O)Cl)Cl	52B	(2s)-6,8-dichloro-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid
+c1ccc(c(c1)c2[nH]nnn2)Cl	52C	5-(2-chlorophenyl)-1h-tetrazole
+c1cc(ccc1C(=O)c2ccncc2)OCCN3CCCC3	52D	pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
+CN([C@@H](C[C@H](CO)O)COC(=O)Nc1cc2ccccc2cn1)C(=O)NCc3cccc(c3Cl)F	52E	4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-o-(isoquinolin-3-ylcarbamoyl)-d-erythro-pentitol
+c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O	52F	3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid
+[H]/N=C(\CCNC(=O)c1csc(n1)[C@H]2CSC(=N2)CCNC(=O)[C@H](C(C)(C)O)NC(=O)[C@@H](C)[C@@H]([C@@H](CCO)NC(=O)[C@H]([C@H](c3c[nH]cn3)O[C@H]4[C@H]([C@H]([C@@H]([C@@H](O4)C)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)OC(=O)N)O)NC(=O)c6c(c(nc(n6)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O)/N	52G	zorbamycin
+CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	52H	5'-o-{[(2r)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine
+CC(C)C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	52I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-(2-methylpropyl)phthalazin-2(1h)-yl]prop-2 -en-1-one
+CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	52J	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylpropyl)phthalazin-2(1h)-yl]prop-2-en-1-one
+C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Cl	52K	n-{3-[(3r)-5-amino-3-methyl-3,6-dihydro-2h-1,4-oxazin-3-yl]phenyl}-5-chloropyridine-2-carboxamide
+C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)/C(=N\O)/C(=O)O	52L	dahp oxime
+c1cc(c(cc1NC(=O)S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O	52M	2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H]([C@H]([C@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC	52N	1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate
+CC(C)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	52O	pivalyl-coenzyme a
+c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl	52P	5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6h-pyrimido[1,6-b]pyridazin-6-one
+c1[nH]nc(n1)S[C@@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N	52Q	(1r,2s,4r,5r,6r)-2-amino-4-(1h-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
+Cn1ccc(n1)N(C)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F	52R	n5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-n8-methyl-n8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine
+CC(C)NC(=O)O[C@@H]1CC[C@@](c2c1nnn2Cc3ccc(cc3)OC)(C)O	52T	(4r,7r)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	52U	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+Cc1cccc(c1c2cc(cc(c2)OC)[C@H](C)C#Cc3c(nc(nc3N)N)C)C	52V	5-[(3s)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC	52W	(3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CC(=O)NCCc1c2cc(ccc2[nH]c1I)NC(=O)OC	52X	methyl {3-[2-(acetylamino)ethyl]-2-iodo-1h-indol-5-yl}carbamate
+COc1ccc(cc1)c2ccc(c(c2)F)N\3C(=O)CS/C3=C(/C#N)\C(=O)OC	52Y	methyl (2z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC	52Z	(3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
+c1cc(c(cc1F)F)Oc2ncc3c(n2)[nH]nc3NC4CCOCC4	530	6-(2,4-difluorophenoxy)-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-amine
+CC(=O)[C@H]1CCCN(C1)Cc2ccccc2	531	1-[(3s)-1-benzylpiperidin-3-yl]ethanone
+CN1C(=O)[C@](N=C1N)(c2cccc(c2)c3cccnc3)c4ccsc4	532	(5s)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4h-imidazol-4-one
+C[C@H](Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C	533	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1r)-1-methyl-2-(2h-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+CC(C)c1ccc(cc1)c2c(nccn2)N3CCN(CC3)S(=O)(=O)c4cccc(c4)c5cnc(nc5)N	534	5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine
+CCOC(=O)c1c(n2ccnc2s1)C	535	ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate
+c1ccc(cc1)CN2CCCC(=C2)C(=O)N	536	1-benzyl-1,4,5,6-tetrahydropyridine-3-carboxamide
+c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O	537	2,6-dihydroanthra/1,9-cd/pyrazol-6-one
+CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4)c5ccccc5C(=O)O)C)C	538	4'-[(2,3-dimethyl-5-{[(1s)-1-phenylpropyl]carbamoyl}-1h-indol-1-yl)methyl]biphenyl-2-carboxylic acid
+c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCCC4)Cl)Cl	539	6,7-dichloro-n-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine
+CCOC(=O)C1=C2N=C(c3ccccc3N2NN1)S[C@H](C(=O)C)C(=O)OCC	53A	ethyl 5-{[(1r)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
+c1cc(nc(c1)O)C(=O)O	53B	6-hydroxypyridine-2-carboxylic acid
+CC(=O)c1cccc(c1)O	53C	1-(3-hydroxyphenyl)ethanone
+CCN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3C4CC4)C(=O)NCCCN(C)C	53D	1-cyclopropyl-n-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide
+c1cc(c2c(c1)OCCO2)C(=O)O	53E	2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)N	53F	(3r,3as,4s,7as)-3-hydroxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate
+CN(C)C(=O)c1ccc2c(c1)nccn2	53G	n,n-dimethylquinoxaline-6-carboxamide
+CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	53H	5'-o-[(3-methyl-d-valyl)sulfamoyl]adenosine
+CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C	53I	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1r)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-y l]prop-2-en-1-one
+CC(=C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C	53J	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1h)-y l]prop-2-en-1-one
+Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4	53K	2-(2-methylphenoxy)-5-[(4-phenyl-1h-1,2,3-triazol-1-yl)methyl]phenol
+C[C@@H]1CN2c3ccc(cc3C[C@@]4([C@H]2[C@@H](O1)C)C(=O)NC(=O)N=C4O)N(=O)=O	53L	(2r,4s,4as,5s)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'h)-dione
+C[C@@H]1CN2c3ccc(cc3CC4([C@H]2[C@@H](O1)C)C(=NC(=O)N=C4O)O)[N+](=O)[O-]	53M	(2r,4s,4as)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one
+c1cc(cc(c1)[N+](=O)[O-])c2ccc(s2)CCC(=O)O	53N	3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid
+c1ccc(cc1)c2cccc(c2)n3ccnc3	53O	1-(biphenyl-3-yl)-1h-imidazole
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F	53P	(10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo(4,3-h)(2,5,11)benzoxadiazacyclotetradecine-3-carbonitrile
+CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3	53Q	clomifene
+Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccccc3	53R	5-[(3r)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+Cc1ccc(cc1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C	53S	5-[(3r)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+Cc1cc(cc(c1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C	53T	5-[(3r)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccc3)N	53U	d-phenylalanyl-n-benzyl-l-prolinamide
+Cc1cccc(c1c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C	53V	5-[(3r)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccc(cc5)OC	53W	5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1h-benzimidazole
+CCn1cc(c2c1cccc2)c3cc(n(n3)C)C(=O)O	53X	3-(1-ethyl-1h-indol-3-yl)-1-methyl-1h-pyrazole-5-carboxylic acid
+c1ccc-2c(c1)NC(=O)c3n2ccc3	53Y	pyrrolo[1,2-a]quinoxalin-4(5h)-one
+c1cc(ccc1CNC(=O)NCC(=O)N2CCCC2)N	53Z	1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea
+Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)OC)F)C	540	8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline
+Cc1cc(c2ccccc2n1)COc3ccc(cc3)[C@@]4(CCN(C4=O)[C@H](C)C(=O)NO)C	541	(2r)-n-hydroxy-2-[(3s)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	542	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+CC[O@@H][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]	543	calcium ion, 6 waters plus ethanol coordinated
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)N/C(=C\C(=O)c4ccccc4)/C	544	2-(1-methyl-3-oxo-3-phenyl-propylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
+CCCCOC(=O)[C@H]([C@H]1[C@@H]([C@@]([C@H](C[N@@]1O)O)(CO)O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N	545	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid butyl ester
+Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C	546	2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine
+c1ccc(cc1)c2c3c(ccnc3oc2c4ccccc4)NCCN5CCNCC5	547	2,3-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
+Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)Cl)C(F)(F)F)C	548	6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline
+CC(C)n1cnc2c1ccc(c2)C(=O)O	549	1-(propan-2-yl)-1h-benzimidazole-5-carboxylic acid
+CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2N3[C@@H]4CC[C@H]3CN(C4)C)C5=NNC(=O)O5)c6nc(cs6)C(F)(F)F	54B	1-ethyl-3-[5-[2-[(1s,5r)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3h-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea
+CC(C)([C@@H]1CO1)n2cc(c3c2cccc3)[C@H]([C@@H](C(=O)O)N)O	54C	(betar)-beta-hydroxy-1-{2-[(2r)-oxiran-2-yl]propan-2-yl}-l-tryptophan
+COC(=O)c1cccs1	54D	methyl thiophene-2-carboxylate
+c1ccc(cc1)c2ccc(cc2Cl)CN	54E	1-(2-chlorobiphenyl-4-yl)methanamine
+c1ccnc(c1)Oc2cccc(c2)N	54F	3-(pyridin-2-yloxy)aniline
+Cc1ccc(c(c1)C(=O)O)O	54G	2-hydroxy-5-methylbenzoic acid
+CC(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	54H	5'-o-(d-valylsulfamoyl)adenosine
+C(/C=N/O)C(=O)O	54I	(3e)-3-(hydroxyimino)propanoic acid
+CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)CC)c5cncnc5)F	54J	n-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1h-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide
+Cc1cnc(c2c1nc[nH]2)N	54K	7-methyl-3h-imidazo[4,5-c]pyridin-4-amine
+C#CCCC(=O)O	54L	pent-4-ynoic acid
+COc1ccc(cc1)[C@]2(CCC(=N2)N)c3cccc(c3)c4cncnc4	54M	(5r)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine
+Cc1c(ccc(n1)CN(C)C)c2cnc(c3c2C(=O)NN=C3)NCc4c(ccc5c4CCO5)F	54N	8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2h-pyrido[3,4-d]pyridazin-1-one
+C(CO)CS(=O)(=O)O	54O	3-hydroxypropane-1-sulfonic acid
+c1ccc(cc1)c2ccc(cc2Cl)CNCCCO	54P	3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol
+C[C@@H]1CN2c3ccc(cc3CC4([C@H]2[C@@H](O1)C)C(=O)NC(=O)NC4=O)[N+](=O)[O-]	54Q	(2r,4s,4as)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'h,6h-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'h,3'h)-trione
+CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2	54R	n-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide
+c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCC(=O)Nc3cccc(c3)C(=O)O	54S	n-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-n-(3-carboxyphenyl)-beta-alaninamide
+c1cc2c(cc1Cl)sc(n2)N	54T	6-chloro-1,3-benzothiazol-2-amine
+CC(=O)N1CCN(CC1)c2ccc(cc2)O	54U	1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)OC	54V	methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate
+CC(=O)NCCc1ccccc1	54W	n-(2-phenylethyl)acetamide
+c1cc(sc1)c2csc3c2C(=O)N=CN3	54X	5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1h)-one
+CNC(=O)c1cnn(c1Cl)C	54Y	5-chloro-n,1-dimethyl-1h-pyrazole-4-carboxamide
+c1cc(c(cc1CN)Cl)OC(F)(F)F	54Z	1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine
+Cc1cc(c2ccccc2n1)COc3ccc(cc3)C[C@@]4(C[C@@H]4C(=O)NO)C(=O)OC	550	methyl (1r,2s)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
+COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2	551	methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate
+c1cc(ccc1COC2=NC(=C3C=C[C@H](N3C2=O)C(=O)N4CCCC4)Cl)F	552	(6s)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6h)-one
+c1cnc(nc1c2cc3c([nH]2)[C@H](CNC3=O)CCF)N	553	(7s)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1ccc2c(c1)c(ccc2c3ccc(cc3)O)\C=N\O	555	4-(4-hydroxyphenyl)-1-naphthaldehyde oxime
+c1cc(sc1)c2cnc3n2CCC3	556	3-(thiophen-2-yl)-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole
+C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)n2cc(c(n2)C(F)(F)F)CO	557	n-[(2s)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}propyl]propane-2-sulfonamide
+Cc1nnc2n1-c3ccc(cc3N(C[C@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N	558	5-[(4r)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine
+Cc1nnc2n1-c3ccc(cc3N(C[C@@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N	559	5-[(4s)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3	55A	n~2~-acetyl-n-[(2s,3r)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-l-leucinamide
+COc1cc(cc(c1O)OC)/C=C/CO	55B	4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol
+C/C(=C\C(=O)Nc1ccccc1C(=O)O)/c2ccc3ccccc3c2	55C	2-{[(2e)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid
+CCCC(=O)Nc1c(ccs1)C(=O)N	55D	2-(butanoylamino)thiophene-3-carboxamide
+Cc1cc(ccc1O)C2=NC(=O)N=C(C2)c3ccccc3	55E	4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5h)-one
+Cc1c(ccc(n1)c2c([nH]c(n2)NC(=O)C)c3ccc4c(c3)nccn4)F	55F	n-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1h-imidazol-2-yl]acetamide
+c1ccc(cc1)C2=CC(=O)Nc3c2c([nH]n3)c4cnc(s4)c5cccnc5	55G	4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
+c1cc(cnc1)c2ncc(s2)c3c4c(n[nH]3)NC(=O)C=C4	55H	3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
+c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)F	55I	4-(trifluoromethyl)-l-phenylalanine
+Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F	55J	1-methyl-5-({2-[5-(trifluoromethyl)-1h-imidazol-2-yl]pyridin-4-yl}oxy)-n-[4-(trifluoromethyl)phenyl]-1h-benzimidazol-2-amine
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4(CCCC4)C(=O)O	55K	1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	55L	(r)-4-(((s)-1-(((s)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate
+C[C@H]([C@@H]1CC(=O)NC1)Oc2c3c(cc(n2)c4ccc(c(c4)OC)OC)ncs3	55M	(4r)-4-[(1r)-1-{[6-(3,4-dimethoxyphenyl)[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy}ethyl]pyrrolidin-2-one
+CC(C)[C@@H](C[C@H](C(=O)O)OC(=O)C)NC	55N	(2r,4r)-2-(acetyloxy)-5-methyl-4-(methylamino)hexanoic acid
+C[C@H](C[C@H](Cc1ccccc1)N)C(=O)O	55P	(2r,4r)-4-amino-2-methyl-5-phenylpentanoic acid
+CC[C@@H](C)[C@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@@H]3CCCCN3C	55Q	(2r,4r)-4-{[(2-{(1r,3r)-1-(acetyloxy)-4-methyl-3-[methyl(n-{[(2s)-1-methylpiperidin-2-yl]carbonyl}-d-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid
+c1ccc(c(c1)C(=O)O)NN=C2C=CC(=O)C=C2	55R	2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid
+CCS(=O)(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3	55S	6-(cyclohexylmethoxy)-n-[4-(ethylsulfonyl)phenyl]-9h-purin-2-amine
+CC(=O)Nc1cccc(c1)[C@@H](OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)P(=O)(O)O	55T	5'-o-[(r)-[(s)-[3-(acetylamino)phenyl](phosphono)methoxy](hydroxy)phosphoryl]cytidine
+CN(C)c1ccc(cc1)c2cc3c(cccn3)c(n2)NCCCN	55U	n-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine
+Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC	55V	6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine
+Cc1ccc(c(c1)C)[P@](=O)(Nc2c(cn(n2)c3ccc(cc3)c4cc5nc(cc(n5n4)N)C)C(=O)O)OC	55W	1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(r)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1h-pyrazole-4-carboxylic acid
+C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C	55X	s-{1-[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2s,6r)-6-[(8s,9s,10r,13r,14s,17r)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name)
+C[C@H]([C@H]1CNC(=O)O1)Oc2cc(cc3c2csn3)c4cnn(c4)C	55Y	(5r)-5-[(1r)-1-{[6-(1-methyl-1h-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one
+CC(C)(C)NC(=O)c1c(c2c(nc(nc2s1)SC)c3cccc(c3)NC(=O)CN4CCOCC4)N	55Z	5-azanyl-n-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
+c1ccc2c(c1)cccc2NC(=O)CCC[N@]3C[C@H](NN3)c4coc5c4cc(c(c5)O)C(=O)O	561	6-hydroxy-3-{(4r)-1-[4-(1-naphthylamino)-4-oxobutyl]-1,2,3-triazolidin-4-yl}-1-benzofuran-5-carboxylic acid
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCOCCOCCN=[N+]=N	562	n~5~-[n-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-l-ornithine
+Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C	563	n-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide
+CC1(CCC(c2c1ccc(c2)C(=O)c3ccc4cc(ccc4c3)C(=O)O)(C)C)C	564	6-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalene-2-carbonyl)-naphtalene-2-carboxylic acid
+C[C@@H]1C(=O)NCCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N	565	(3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one
+c1ccc(cc1)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3	566	(3s)-1-cyclohexyl-5-oxo-n-phenylpyrrolidine-3-carboxamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)NS(=O)(=O)CC(=O)O)\N	567	2-[[(2r)-1-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid
+c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5C[C@H](OC5)CO	568	n,n-[2,5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol]
+CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)(F)F)c3ccc(c(c3)c4cncnc4)F	569	(5r)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4h-imidazol-4-one
+c1ccc(cc1)CCCCCCCCn2cncc2C[C@@H](C(=O)O)N	56A	3-(8-phenyloctyl)-l-histidine
+c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@H]4C=C[C@@H]([C@@H]4O)O	56B	2-amino-5-({[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-(5-o-phosphono-beta-d-ribofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCOCCOCCOCCN=[N+]=N	56C	n~5~-{n-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-l-ornithine
+C[C@H](c1ccccc1)C(=O)C(=O)O	56D	(3r)-2-oxo-3-phenylbutanoic acid
+CCOC(=O)CNC(=O)c1cc(sc1)C	56E	ethyl n-[(5-methylthiophen-3-yl)carbonyl]glycinate
+CNS(=O)(=O)Cc1ccc(cc1)Cl	56F	1-(4-chlorophenyl)-n-methylmethanesulfonamide
+Cc1cc(n[nH]1)Nc2cc(nc(n2)Oc3cccc(c3)NC(=O)C=C)N4CCN(CC4)C	56G	n-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide
+CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3	56H	n-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide
+c1ccc2c(c1)-c3ccccc3C2CCC=O	56J	3-(9h-fluoren-9-yl)propanal
+Cc1nc(cs1)c2cccc(c2)N	56K	3-(2-methyl-1,3-thiazol-4-yl)aniline
+CC(C)C1C(=O)NC(=S)NC1=O	56L	5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
+CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c(c(c([nH]2)C)C(=O)C)C)O	56M	4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	56N	phenyl beta-d-galactopyranoside
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)NO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	56O	n-[(2r)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-l-alpha-glutamyl-l-alpha-glutamine
+Cc1cc(ccc1F)S(=O)(=O)N(CCCCCCN)[C@H](C)C(=O)NO	56P	n~2~-(6-aminohexyl)-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+Cc1cc(ccc1F)S(=O)(=O)N(C)[C@H](C)C(=O)NO	56Q	n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-n~2~-methyl-d-alaninamide
+Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)CN)[C@H](C)C(=O)NO	56R	n~2~-[3-(aminomethyl)benzyl]-n~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-n-hydroxy-d-alaninamide
+CCCCCCCCCCCC(=O)OC(C)C	56S	propan-2-yl dodecanoate
+c1cc(oc1)CCN	56T	2-(furan-2-yl)ethanamine
+c1ccc2c(c1)[nH]c(n2)C(F)F	56U	2-(difluoromethyl)-1h-benzimidazole
+c1ccc2c(c1)nc3n2[C@@H](CS3)O	56V	(3r)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol
+CC(=O)N[C@H](CCP(=O)(C[C@H](CCC[C@H](C(=O)O)N)C(=O)O)O)C(=O)O	56W	(2r,6r)-2-{[(r)-[(3r)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid
+CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C	56Y	4-acetyl-n-(3-carbamoylbenzyl)-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide
+COc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	56Z	4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)Nc4ccccc4C(=O)c5ccccc5	570	2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
+CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)[C@@H](c5ccccc5)O	571	5-[(2r)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium 
+CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO	572	4-[2-(hydroxymethyl)pyrimidin-4-yl]-n,n-dimethylpiperazine-1-sulfonamide
+C[C@@H](CONC(=O)c1c(c2cncc(c2o1)F)Nc3ccc(cc3F)I)O	573	7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-n-{[(2s)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide
+B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)c5ccccc5[C@@H](CN)O	574	[(3as,4r,6r,6ar)-2-{2-[(1s)-2-amino-1-hydroxyethyl]phenyl}-6-(6-amino-9h-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphite
+c1cc(ccc1CN2CCCC2)N\C=C/3\c4cc(ccc4C(=O)NC3=O)Br	575	(4z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2h,4h)-dione
+c1ccc-2c(c1)Cc3c2ccc(c3)CC[C@@H](CC(=O)O)O	576	(3s)-5-(9h-fluoren-2-yl)-3-hydroxypentanoic acid
+CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4	577	4-[5-(4-fluoro-phenyl)-2-[4-methanesulfinyl-phenyl]-3h-imidazol-4-yl]-pyridine
+CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)O[C@@H](c2cccc(c2)CN)C(=O)O	578	(5r,6s,8s)-8-[3-(aminomethyl)phenyl]-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+CCc1c(c([nH]c1C(=O)Nc2ccc(c(c2)S(=O)(=O)N3CCOCC3)F)C)C(=O)C	579	4-acetyl-3-ethyl-n-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1h-pyrrole-2-carboxamide
+CCCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N3CCCCCC3)C)C(=O)C	57C	4-acetyl-n-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O	57D	chrysin
+CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C	57E	1-[(4-acetyl-3-ethyl-5-methyl-1h-pyrrol-2-yl)carbonyl]-n-methyl-1h-indole-6-sulfonamide
+CCc1c(c([nH]c1C(=O)Nc2cc(c(cc2O)C)S(=O)(=O)N(CC)CC)C)C(=O)C	57F	4-acetyl-n-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide
+CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)CO	57G	n-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1h-pyrrole-2-carboxamide
+C=CCP(=O)(O)O	57H	prop-2-en-1-ylphosphonic acid
+Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CC(=O)c5cc(c(cc5O4)C)C	57J	6,7-dimethyl-1'-[(7-methyl-1h-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3h)-one
+Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CN(C4)C(=O)OC(C)(C)C	57K	tert-butyl 7-[(7-methyl-1h-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
+Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CCN([C@H]4C)C(=O)OCC(C)(C)C	57L	2,2-dimethylpropyl (1s)-1-methyl-8-[(7-methyl-1h-indazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
+CC(C)C[C@@H](C(=O)NCCCN[C@@H]([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)C(=O)O)NC(=O)[C@H]([C@@H]4CCN=C(N4)N)NC(=O)N[C@@H](C(C)C)C(=O)O	57M	muraymycin d2
+c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3Cc4ccccc4C3=O	57N	(2r)-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)-2-phenyl-n-(1,3-thiazol-2-yl)acetamide
+Cc1c(nc(c(c1O)C)O)CC(=O)O	57O	(4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid
+c1ccc(cc1)c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5	57P	3-(5-cyclopropyl-2,3-diphenyl-1h-indol-1-yl)propanoic acid
+c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O	57Q	3-(2-phenyl-1h-indol-1-yl)propanoic acid
+CC(C)NC(=O)O[C@H]1CC[C@@](c2c1nnn2Cc3ccc(cc3)OC)(C)O	57R	(4s,7r)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](COP(=O)(O)O)[C@H]([C@H](CO)O)O)CO)O)O	57S	4-o-[2-acetamido-2-deoxy-beta-d-glucopyranosyl]-5-o-phosphono-d-ribitol
+c1cc(ccc1/C=C(\C(=O)O)/SS/C(=C\c2ccc(cc2)I)/C(=O)O)I	57T	(2e,2'z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid]
+CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)CO	57U	1-ethyl-3-[4-(hydroxymethyl)-5-(1h-pyrrol-2-yl)-1,3-thiazol-2-yl]urea
+CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)/C=C/c3cccnc3	57V	1-ethyl-3-{4-[(e)-2-(pyridin-3-yl)ethenyl]-5-(1h-pyrrol-2-yl)-1,3-thiazol-2-yl}urea
+CCNC(=O)Nc1cn(c2c1ncc(c2)c3cccnc3)c4ccccn4	57W	1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1h-pyrrolo[3,2-b]pyridin-3-yl]urea
+CCCN1c2c(c(n[nH]2)c3cnc(s3)c4cccnc4)C=CC1=O	57X	7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6h-pyrazolo[3,4-b]pyridin-6-one
+CCCc1c(ccc2c1n[nH]c2c3cnc(s3)c4cc(c(nc4)C(=O)O)O)O	57Y	3-hydroxy-5-[5-(6-hydroxy-7-propyl-2h-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
+Cc1cc(c2c(c1)C=C(C(=O)N2)CN(CCO)C(=S)Nc3ccc(cc3)O)C	57Z	1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea
+Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc(cc4)F	580	3-(4-fluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazole
+CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O	581	2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+CCN1c2ccccc2-c3c(c(n[nH]3)C)C1=O	582	5-ethyl-3-methyl-1,5-dihydro-4h-pyrazolo[4,3-c]quinolin-4-one
+c1cc(ccc1c2c[nH]nc2c3ccc(cc3)O)O	583	4,4'-(1h-pyrazole-3,4-diyl)diphenol
+C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C	584	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5h)-one
+CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C	585	6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one
+CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H](C[C@@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O)OC	586	n-[4-(1-benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanes ulfonyl-methyl-amino)-n'-(1-phenylethyl)-isophthalamide
+CC[C@@H]1C=C([C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6C)/C)O)C)OC)OC)C)O)C	587	c32-o-(1-methyl-indol-5-yl) 18-hydroxy-ascomycin
+CCCCCNC(=O)[C@H](Cc1ccc(c(c1)\C=C\C(=O)N)N(c2ccccc2C(=O)O)C(=O)C(=O)O)NS(=O)(=O)C	588	2-{[2-(2-carbamoyl-vinyl)-4-(2-methanesulfonylamino-2-pentylcarbamoyl-ethyl)-phenyl]-oxalyl-amino}-benzoic acid
+c1ccc2cc(ccc2c1)N3C(=NN(C3=O)C4CCOCC4)c5ccnc(c5)NC6CCCCC6	589	5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2h-pyran-4-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCC=CCCCCCCCC	58A	5'-o-[(r)-{[(s)-{(2r)-2,3-bis[(9e)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)N	58B	l-alanyl-d-alpha-glutamine
+c1cc2cnc(nc2c(c1)OC3CCC(CC3)O)Nc4ccc5c(c4)nc[nH]5	58C	cis-4-{[2-(1h-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol
+CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccc(cc3)OC	58D	(3s)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione
+C[C@H]1[C@@H]2CCc3c(n(nc3[C@]2(CC(=C1O)C#N)C)C)c4cccnc4	58E	(5as,6s,9as)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2h-benzo[g]indazole-8-carbonitrile
+CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)I	58F	p-iodo hoechst
+c1ccc(cc1)[C@H]2CC[C@H](C2)Nc3ccc(cn3)C(=O)N	58G	6-{[(1r,3s)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide
+COC(=O)C1=C(NC(=NC1c2ccc(cc2Cl)F)c3ccccn3)CN4CCC(CC4)C(C#C)(C#C)O	58H	methyl (4r)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate
+C(CC[NH3+])C[NH3+]	58I	4-azaniumylbutylazanium
+CN1/C(=C\c2ccc(cc2)OC)/C(=O)Nc3ccccc3C1=O	58J	4-methoxydehydrocyclopeptin
+CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3	58K	cyclopeptin
+c1ccc(cc1)C[C@H]2C(=O)Nc3ccccc3C(=O)N2	58L	demethylated cyclopeptin
+C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cnn(c3)C(C)(C)C	58N	(4r)-6-(1-tert-butyl-1h-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+COc1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N	58O	6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@@H](CO)O)C#N	58P	1-[(2s)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 h-indole-2-carbonitrile
+Cc1c2cc(n(c2cc(c1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)OC)Cc6c[nH]nc6)C#N	58Q	6-methoxy-4-methyl-1-(1h-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2CC(=O)N)C#N	58R	2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indol-1-yl}aceta mide
+CNc1c2c3nc(n1)OCCOCCOc4cccc(c4)CN3C(=O)N2	58T	13-(methylamino)-23,24,25-trioxa-17,18,19,21-tetrazatetracyclo-tricosa-1(3),2(10),4(11),12(14),13(18),16(19)-hexan-15-one
+C[C@@H](CC(=O)C(=O)O)C(=O)CC=O	58U	(4s)-4-methyl-2,5,7-trioxoheptanoic acid
+c1cc(c(cc1Nc2c3ncc(n3cc(n2)C4CC4)c5c[nH]nc5)Cl)C(=O)N6CCOCC6	58V	(2-chloro-4-{[6-cyclopropyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone
+c1ccc(cc1)C2(CCC2)C(=O)Nc3cc(c(cc3O)O)Cl	58W	n-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide
+CC(=CCC/C(=C/C(=O)O)/C)C	58X	(2e)-3,7-dimethylocta-2,6-dienoic acid
+C[C@@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O	58Y	(2r,3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methylhexahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+c1cc2c(cc[nH]2)cc1OCCN3CCC(CC3)C(=O)O	58Z	1-[2-(1h-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N	590	9-[2-azido-2-deoxy-5-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-d-arabinofuranosyl]-9h-purin-6-amine
+CCn1cc(cn1)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4	591	(5s)-2-amino-5-(1-ethyl-1h-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4h-imidazol-4-one
+Cc1c(cccc1OC)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5	592	n-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide
+CN1C(=O)[C@@](N=C1N)(c2ccccc2)C34CC5CC(C3)CC(C5)C4	593	(5s)-2-amino-3-methyl-5-phenyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4h-imidazol-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N	594	9-[2-deoxy-2-fluoro-5-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-d-arabinofuranosyl]-9h-purin-6-amine
+C[C@@H](CCC[C@@H](C=O)[N@@](CCC(C)C)S(=O)(=O)c1ccc(cc1)N)NC(=O)[C@H](C(c2ccccc2)c3ccccc3)NC(=O)OC	595	n-[(1s,5s)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c5ccccc5[nH]n4)/C2=O	596	(2z)-2-(1h-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2h)-one
+c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3ccc4c(c3)sc5c4sc(c5OCC(=O)O)C(=O)O	598	6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid
+c1cc(ccc1C#Cc2cc(ccc2Cl)c3c4c(n(n3)CCCN5CCOCC5)CCN(C4)C(=O)CO)Cl	599	2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol
+CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC	59A	n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucine
+c1ccc2c(c1)nc(c3n2nnn3)Nc4ccc(cc4)C(=O)N5CCOCC5	59B	morpholin-4-yl[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
+C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCC=C)C)C)OC)OC(=O)N)C)C)O)OC	59C	[(3r,5s,6r,7r,12e)-5,11-dimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
+C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5	59D	(7r)-1-(4-fluorobenzyl)-n-{3-[(1s)-1-hydroxyethyl]phenyl}-7-methyl-5-(1h-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine-3-carboxamide
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)OC)c4cccc5c4cc[nH]5)OC	59E	methyl [(4s)-6-(1h-indol-4-yl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H](C=O)[C@@H]3N[C@H]([C@H](CS3)C)C(=O)O	59F	(2r,4r,5r)-2-[(1r)-1-{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5-methyl-1,3-thiazinane-4-carboxylic acid
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)scc5C(=O)O	59G	6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NC(=O)N3CCNC3=O)C(=O)O)C	59H	(2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-{[(2r)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@@H]([C@@H]3N=C([C@H](CS3)C)C(=O)O)C(=O)O	59J	(2r,5r)-2-[(r)-carboxy{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1nnc(s1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F	59K	4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
+Cc1cccc(c1Nc2cc(ccc2C(=O)O)[N+](=O)[O-])C(=O)O	59L	2-[(2-carboxy-5-nitrophenyl)amino]-3-methylbenzoic acid
+c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)CF)CC(F)(F)F	59M	4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
+CCNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cncc(n4)C)CC5CCC(CC5)N	59N	8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)F)CC(F)(F)F	59Q	4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
+c1cc(cc(c1)F)CCNCCO[C@H]2CNC[C@H]2Cc3cccc(n3)N	59R	6-{[(3r,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)/C=C/c2ccc(cc2)OC	59S	(2s)-2-[[(2s)-2-[[(e)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide
+Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC	59T	8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+CCN1c2c(cnc(n2)NCCC3CCN(CC3)C)C=C(C1=O)c4ccc(cc4Cl)c5cncc(n5)C	59U	6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)(F)F)CC(F)(F)F	59V	6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine
+c1cc(cc(c1)F)CCNCCO[C@@H]2CNC[C@@H]2Cc3cccc(n3)N	59W	6-{[(3s,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
+CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CCF)C	59X	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine
+c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O	59Y	8-(naphthalen-1-yl)quinoline-2-carboxylic acid
+c1ccc2c(c1)ccc3c2n(c(c3)C(=O)NCP(=O)(O)O)CC(=O)O	59Z	{2-[(phosphonomethyl)carbamoyl]-1h-benzo[g]indol-1-yl}acetic acid
+CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)F)C	5A0	6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
+CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)C(C(F)(F)F)(F)F)C	5A1	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine
+C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	5A2	3,5-di-methylenebisphosphonate inositol tetrakisphosphate
+C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	5A3	methylenebisphosphonate inositol pentakisphosphate
+C(CCc1nnc(o1)CC[C@@H](C(=O)O)N)CCN	5A6	(2s)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid
+CC(=O)Nc1cc2ccc(nc2c(c1)c3cccc4c3cccc4)/C=C/P(=O)(O)O	5A7	{(e)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid
+c1ccc2c(c1)c(c[nH]2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N	5A8	5'-azido-5'-deoxy-8-[(2-{[2-(1h-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
+c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N	5A9	5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O	5AA	n6-dimethyl-3'-amino-adenosine-5'-monophosphate
+[B-](CCCC[C@@](C)(C(=O)O)N)(O)(O)O	5AB	[(5s)-5-amino-5-carboxyhexyl](trihydroxy)borate
+c1[nH]c(c(n1)C(=O)N)N	5AC	5-amino-1h-imidazole-4-carboxamide
+C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	5AD	5'-deoxyadenosine
+C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N	5AE	4-amino-1-(beta-d-ribofuranosyl)-1,3,5-triazin-2(1h)-one
+CCC(CC)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(CC)CC)N	5AF	2,5-bis{[4-(3-pentyl)diaminomethyl]phenyl}furan
+C#Cc1cccc(c1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CN=[N+]=[N-])O)O)N	5AG	5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
+CC(C)(C)[C@@H](C(=O)N[N@](CC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)c5ccccn5)NC(=O)OC	5AH	methyl [(1s)-1-({2-[(3s)-3-benzyl-3-hydroxy-4-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-4-oxobutyl]-2-(4-pyridin-2-ylbenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate
+c1ccc2c(c1)[nH]c(n2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N	5AJ	5'-azido-8-[(2-{[2-(1h-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine
+c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N	5AK	8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
+C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	5AL	5'-o-[(r)-{[(2s)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine
+c1ccc(cc1)CCCC(=O)N2CCN(CC2)Cc3nc(no3)[C@H]([C@H](CCCCN)NC(=O)OCc4ccccc4)O	5AM	benzyl {(1s)-5-amino-1-[(s)-hydroxy(5-{[4-(4-phenylbutanoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)methyl]pentyl}carbamate
+c1c(cc(cc1F)F)N	5AN	3,5-difluoroaniline
+c1cc(cc(c1)N)c2cnco2	5AO	3-(1,3-oxazol-5-yl)aniline
+COc1cc(cc(c1)OC)c2nc(c(c(n2)N)CN)c3ccc(cc3Cl)Cl	5AP	5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine
+c1ccc(cc1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N	5AQ	8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine
+C(CCN)Cc1nnc(o1)CC[C@@H](C(=O)O)N	5AR	(2s)-2-amino-4-[5-(4-aminobutyl)-1,3,4-oxadiazol-2-yl]butanoic acid
+CCNS(=O)(=O)OC[C@@H]1[C@H]([C@H](C(O1)n2cnc3c2ncnc3N)O)O	5AS	5'-o-(n-ethyl-sulfamoyl)adenosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN)O	5AT	5'-amino-5'-deoxythymidine
+c1ccc(cc1)[As](SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	5AU	di-glutathione-phenylarsine
+Cc1c(sc(n1)C)CNc2cc(nc3n2ncc3)Cl	5AV	5-chloro-n-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
+C[C@@H](CC[C@H](C)NC(=O)OCc1cncs1)NC(=O)[C@@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C	5AW	n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2s,5s)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-d-valinamide
+CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO	5AX	2-(acetylamino)-1,5-anhydro-2-deoxy-d-glucitol
+Cn1cc(cn1)CNc2cc(nc3n2ncc3)OC[C@H]4C[C@@H]4c5ccccn5	5AY	n-[(1-methyl-1h-pyrazol-4-yl)methyl]-5-{[(1s,2s)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine
+C1=NC(=O)NC(=N1)N	5AZ	6-amino-1,3,5-triazin-2(1h)-one
+Cc1c(c(c(cn1)CCP(=O)(O)O)CO)O	5B0	{2-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethyl}phosphonic acid
+c1cc2c(cc1Br)c(n[nH]2)N	5B1	5-bromo-1h-indazol-3-amine
+c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N	5B2	5-phenyl-1h-indazol-3-amine
+CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N	5B3	4-(3-amino-1h-indazol-5-yl)-n-tert-butylbenzenesulfonamide
+Cn1cc(cn1)c2cc(ccn2)Oc3cc(c(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F)F	5B4	n-(2,5-difluoro-4-{[2-(1-methyl-1h-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide
+CCN[C@H]1CO[C@H]2[C@@H]1[C@H](CCO2)OC(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O	5B5	(3r,3as,4s,7as)-3-(ethylamino)hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/c2cc(cc(n2)c3ccccn3)O)O	5B6	[5-hydroxy-4-({(e)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC	5B7	(3r,3ar,4s,7as)-3-methoxyhexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+C[C@H]([C@H](C1CCCCC1)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCCN5CCOCC5)O	5B8	(1r)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2s)-1-[(2s,3r)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate
+c1ccc2c(c1)cccc2COc3ccccc3C(=O)O	5B9	2-(naphthalen-1-ylmethoxy)benzoic acid
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)C(C)C)C(=O)CN3CCN(CC3)C	5BA	5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3h)-one
+CCCCCCCCC1=C(C(=O)NC(=N1)c2cc(ccc2OCC)S(=O)(=O)N3CCN(CC3)C)Br	5BB	5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3h)-one
+CCCc1cc(ccc1OCCCOc2ccc3c(c2)ccn3CC(=O)O)C(=O)c4ccc(cc4)c5ccccc5	5BC	(5-{3-[4-(biphenyl-4-ylcarbonyl)-2-propylphenoxy]propoxy}-1h-indol-1-yl)acetic acid
+CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c3cc(ccc3C2=O)NC(=O)CN(C)C	5BD	n,n'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]
+Cc1c(c([nH]n1)c2[nH]c3ccc(cc3n2)C(C)C)C(=O)NC4CCN(CC4)C	5BE	3-methyl-5-[5-(1-methylethyl)-1h-benzimidazol-2-yl]-n-(1-methylpiperidin-4-yl)-1h-pyrazole-4-carboxamide
+c1ccc(cc1)C[C@@H](C=O)NC(=O)[C@@H]2Cc3ccc(cc3)OCCCCOc4ccc(cc4)CCC(=O)c5ccc([nH]5)C(=O)N2	5BF	(11s)-4,9-dioxo-n-[(2s)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)NC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)OC)C5CCCCC5	5BG	{3-[(1r)-1-[({(2s)-1-[(2s)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
+COc1cc(cc(c1OC)OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)NC4(CCCC4)C(=O)N	5BH	(2s)-n-(1-carbamoylcyclopentyl)-1-[(2s)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide
+c1ccc2c(c1)cccc2c3cccc4c3cc([nH]4)C(=O)O	5BJ	4-(naphthalen-1-yl)-1h-indole-2-carboxylic acid
+c1cc(c2cc[nH]c2c1)c3cccc4c3cc([nH]4)C(=O)O	5BK	1h,1'h-4,4'-biindole-2-carboxylic acid
+c1ccc2c(c1)cccc2c3cc(cc4c3nc(cc4)C(=O)O)c5ccc[nH]5	5BL	8-(naphthalen-1-yl)-6-(1h-pyrrol-2-yl)quinoline-2-carboxylic acid
+c1ccc(c(c1)N)S/C(=C(\C#N)/C(=C(N)Sc2ccccc2N)C#N)/N	5BM	(2z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile
+c1cc([nH]c1)c2cc(c3c(ccc4c3c2C(=O)N4)F)NCCN	5BN	5-[(2-aminoethyl)amino]-6-fluoro-3-(1h-pyrrol-2-yl)benzo[cd]indol-2(1h)-one
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)CC)S(=O)(=O)N3CCN(CC3)C	5BO	5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+c1cc2c(cnn2nc1)c3ccnc(n3)NC4CC4	5BP	n-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
+CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)C2C(=O)CCCC2=O	5BQ	2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione
+CCCCCBr	5BR	1-bromopentane
+CN1c2ccsc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)S(=O)(=O)N)C	5BS	4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5h-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)CO)O	5BT	5-bromo-2'-deoxycytidine
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)Br	5BU	5-bromo-uridine-5'-monophosphate
+CCCCCC[C@H]([C@@H](C)C(=O)O)OC(=O)CN	5BV	(2r,3r)-3-(glycyloxy)-2-methylnonanoic acid
+c1ccc(c(c1)C(=O)/C=C/N2C[C@H]3C[C@@H]2CN3c4ccccn4)O	5BW	(2e)-1-(2-hydroxyphenyl)-3-[(1r,4r)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one
+C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)NC	5BX	(5s)-5-[(1r)-1-(1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5h)-one
+B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C/C=C/c2cn(nn2)CCOCCOCCOCC(=O)O)(O)O	5BY	{2-[2-(2-{4-[(1e)-4-{[(2s)-1-{[(1r)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid
+B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC#C)(O)O	5BZ	[(1~{r})-1-[[(2~{s})-2-(hex-5-ynoylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid
+c1ccc(c(c1)C(=O)/C=C/N2[C@H]3CC[C@@H]2c4c(c(ncn4)NC5CC5)C3)O	5C0	(2e)-3-[(6s,9r)-4-(cyclopropylamino)-6,7,8,9-tetrahydro-5h-6,9-epiminocyclohepta[d]pyrimidin-10-yl]-1-(2-hydroxyphenyl)prop-2-en-1-one
+c1ccc(c(c1)c2cnc(o2)C(=O)NO)Cl	5C1	5-(2-chlorophenyl)-n-hydroxy-1,3-oxazole-2-carboxamide
+CC(C)n1c2c(cc(cn2)C(=O)NCc3coc(n3)c4cccs4)cn1	5C2	1-(propan-2-yl)-n-{[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
+c1ccc(cc1)S(=O)(=O)NC(=O)C2CCC(CC2)CN	5C3	4-(aminomethyl)-n-(benzenesulfonyl)cyclohexanecarboxamide
+CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4	5C4	4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol
+COc1ccc(cc1)C2(c3ccccc3CCc4c2cccc4)SC[C@@H](C(=O)O)N	5C5	(2r)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid
+CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc5c4cccc5	5C6	4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol
+CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)C(C)(C)C	5C7	4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol
+CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc4ccccc4c3	5C8	4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol
+CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc(c4)C	5C9	4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CS)N)O)O)N	5CA	5'-o-(n-(l-cysteinyl)-sulfamoyl)adenosine
+c1ccnc(c1)CCNC2=NCC(N(C2O)CC(=O)NCc3csc4c3cc(cc4)Cl)Cl	5CB	n-(5-chloro-benzo[b]thiophen-3-ylmethyl)-2-[6-chloro-oxo-3-(2-pyridin-2-yl-ethylamino)-2h-pyrazin-1-yl]-acetamide
+CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4	5CC	4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N	5CD	5'-chloro-5'-deoxyadenosine
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3C(F)(F)F)O	5CE	(1s,3ar,5s,7as)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1h-inden-1-ol
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)F	5CF	5-fluorocytidine 5'-(dihydrogen phosphate)
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N=C(NC2=O)N	5CG	5'-chloro-5'-deoxy-guanosine
+Cc1ccc(cn1)c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C	5CH	5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC(=O)C(CC(=O)O)(CC(=O)O)O)O)O)N	5CI	8-bromo-5'-{[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]amino}-5'-deoxyadenosine
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3cc(c(c(c3F)F)O)F	5CJ	(1s,3ar,5s,7as)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1h-inden-1-ol
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(c(c3F)F)O	5CK	(1s,3ar,5s,7as)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol
+c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl	5CL	1,2,3,4,5-pentachlorobenzene
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5CM	5-methyl-2'-deoxy-cytidine-5'-monophosphate
+CC1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(o3)C#N)CO	5CN	5-cyano-furan-2-carboxylic acid [5-hydroxymethyl-2-(4-methyl-piperidin-1-yl)-phenyl]-amide
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Cl)CC)S(=O)(=O)N3CCN(CC3)C	5CO	5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+CNc1cc(nc(n1)Nc2ccc(cc2)CC#N)Nc3cc([nH]n3)C4CC4	5CP	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
+Cc1cc(ccc1[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]3O)C)O	5CQ	(1s,3ar,5s,7as)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1h-inden-1-ol
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)O	5CR	n-acetyl-l-phenylalanine
+C1C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	5CS	2-amino-3-(cystein-s-yl)-isoxazolidin-5-yl-acetic acid
+C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N	5CT	hypusine
+C1=C(C(=O)NC(=O)N1)C(=O)O	5CU	2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
+CC(C)(CN(C)C)COc1ccc2c(c1)cc([nH]2)C3=CC(=CNC3=O)NC(=O)c4cnn(c4)Cc5ccccc5	5CV	1-benzyl-n-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1h-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1h-pyrazole-4-carboxamide
+c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)O)N	5CW	5-chloro-l-tryptophan
+CC(C)c1ccccc1c2ccc(cc2)S(=O)(=O)N	5CX	2'-(propan-2-yl)biphenyl-4-sulfonamide
+CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3CCCO)(C)C)CCCO)C	5CY	1-(3-hydroxypropyl)-2-{(1e,3e,5e)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2h-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3h-indolium
+[H]/N=C(\c1ccc(cc1)Oc2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N	5CZ	2-[4-(4-carbamimidoylphenoxy)phenyl]-1h-indole-6-carboximidamide
+c1cc(ccc1C2=NCCCN2)OCCCCCOc3ccc(cc3)C4=NCCCN4	5D0	2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine
+Cc1cccc(c1)CN2CCC(CC2)CNC(=O)CCCOC3=CC(=O)N(c4c3cccc4)C	5D1	n-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
+Cc1nnc2n1nc(cc2)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(c5)Cl	5D2	n-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
+CC(=O)NCCCCCCNC(=O)C	5D4	n-(6-acetamidohexyl)acetamide
+C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	5D5	2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
+C/C(=C\c1ccc(cc1)N(C)C)/C(=O)N[C@H]2[C@H]([C@H]3[C@@H]([C@@H]([C@H]2O)O)O[C@@H](O3)O[C@@H]([C@H](CO)O)C(=O)O)N(C)C	5D6	orthoformimycin
+[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)C(=O)OCC=C)N	5D7	prop-2-en-1-yl 2-[(1s)-1-amino-4-carbamimidamidobutyl]-1,3-thiazole-4-carboxylate
+[H]/N=C(\N)/NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)N	5D8	ethyl 2-(2-{2-[(1s)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate
+[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)NC	5D9	ethyl 2-(2-{2-[(1s)-4-carbamimidamido-1-(methylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate
+[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)c4nc(c(o4)C)c5ncc(o5)C)NC	5DA	1-[(4s)-4-(4-{4-[4-(5,5'-dimethyl-2,4'-bi-1,3-oxazol-2'-yl)-1,3-thiazol-2-yl]-5-methyl-1,3-oxazol-2-yl}-1,3-thiazol-2-yl)-4-(methylamino)butyl]guanidine
+CC1=CN(C(=O)N=C1OC)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5DB	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methoxy-5-methylpyrimidin-2(1h)-one
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	5DD	[(2~{r},3~{s},4~{s})-5-[(4~{a}~{r})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CCOC(=O)c1c(nn(c1C)c2ccc(cc2)N)C	5DE	1-(4-aminophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
+CS(=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(cc3)O	5DF	4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol
+CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(cc4)F	5DG	4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol
+c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N	5DH	3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile
+C1C(=O)[C@H]([C@@H]([C@@](O1)(CO)F)O)O	5DI	alpha-d-threo-hexo-2,5-diulo-2,6-pyranosyl fluoride
+c1ccc(cc1)C=C(c2ccc(cc2)O)c3ccc(cc3)O	5DJ	4,4'-(2-phenylethene-1,1-diyl)diphenol
+[H]/N=C(\N)/NCCC[C@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	5DK	(e)-n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-d-arginine
+c1ncn(n1)C[C@@H](CP(=O)(O)O)O	5DL	[(2s)-2-hydroxy-3-(1h-1,2,4-triazol-1-yl)propyl]phosphonic acid
+CSCC[C@H](C(=O)O)NC[C@H](Cc1ccccc1)N	5DM	n-[(2s)-2-amino-3-phenylpropyl]-d-methionine
+c1cc(cc(c1)Br)c2cc(c3cccc(c3n2)F)C(=O)O	5DN	2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid
+C1CC(=O)N(C1=O)CCCCC(=O)NCCOCCOCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)O)O	5DP	5-(2,5-dioxopyrrolidin-1-yl)-n-[2-(2-{2-[(4-o-alpha-d-idopyranosyl-alpha-d-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide
+c1cc(ccc1c2[nH]c3c(ccnc3n2)S(=O)(=O)NC4CCCC4)C(F)(F)F	5DQ	n-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-imidazo[4,5-b]pyridine-7-sulfonamide
+CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccccc3	5DR	6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
+CN(C)c1nnc(s1)[C@H](N)S(=O)(=O)N	5DS	(r)-1-amino-1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide
+c1ccc(cc1)CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NCc3ccccc3)F	5DT	2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide
+c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)N)F)F)SCCO)F	5DU	2-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
+Cc1cc(cc(c1)[P@](=O)(c2c3cc(ccc3[nH]c2C(=O)N)Cl)OC)CCC#N	5DV	methyl (r)-(2-carbamoyl-5-chloro-1h-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate
+C#Cc1ccc(cc1)C[C@@H](C(=O)O)N	5DW	4-ethynyl-l-phenylalanine
+c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)Br	5DX	5-[(2r)-2-amino-2-carboxyethyl]-1-(4-bromophenyl)-1h-pyrazole-3-carboxylic acid
+c1cc(ccc1CCCF)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N	5DY	5-[(2r)-2-amino-2-carboxyethyl]-1-[4-(3-fluoropropyl)phenyl]-1h-pyrazole-3-carboxylic acid
+c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)F	5DZ	5-[(2r)-2-amino-2-carboxyethyl]-1-(4-fluorophenyl)-1h-pyrazole-3-carboxylic acid
+c1ccc(cc1)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N	5E0	5-[(2r)-2-amino-2-carboxyethyl]-1-phenyl-1h-pyrazole-3-carboxylic acid
+c1ccc2c(c1)c(cc(n2)c3cccc(c3)Br)C(=O)O	5E1	2-(3-bromophenyl)quinoline-4-carboxylic acid
+c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O	5E2	2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid
+c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Br	5E4	2-[(3-bromophenyl)amino]benzoic acid
+Cc1c2cc(ncc2n[nH]1)c3cccnc3	5E5	3-methyl-5-(pyridin-3-yl)-2h-pyrazolo[3,4-c]pyridine
+c1cc(nc(c1)N[C@H]2CCC[C@@H](C2)N)c3c4cc(ncc4[nH]n3)c5cccnc5	5E6	(1s,3s)-n-{6-[5-(pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)O	5E7	n-[(2s,3r)-3-hydroxy-4-({(2s,3s)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](C)Cc2ccccc2	5E8	ethyl (2z,4s)-4-{[(2s)-2-methyl-3-phenylpropanoyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)N	5E9	ethyl (2z,4s)-4-{[(2r,5s)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN4CCOCC4	5EA	5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-n-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC3CC3	5EB	ethyl (2z,4s)-4-{[n-(3-cyclopropylpropanoyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(C)C	5EC	ethyl (2z,4s)-4-{[n-(3-methylbutanoyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCCC3CC3	5ED	ethyl (2z,4s)-4-[(n-{[(2-cyclopropylethyl)amino](oxo)acetyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+c1cc(sc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(c(c3)Cl)Cl	5EE	5r-(3,4-dichlorophenylmethyl)-3-(2-thiophenesulfonylamino)-4-oxo-2-thionothiazolidine
+c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	5EF	3-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+c1ccc(c(c1)OCc2nnnn2CC(=O)NNC(=O)Nc3ccc(cc3)Cl)Cl	5EG	2-({5-[(2-chlorophenoxy)methyl]-1h-tetrazol-1-yl}acetyl)-n-(4-chlorophenyl)hydrazinecarboxamide
+CN(C)CC/C=C/1\c2ccccc2COc3c1cccc3	5EH	(3e)-3-(dibenzo[b,e]oxepin-11(6h)-ylidene)-n,n-dimethylpropan-1-amine
+CCOC1=NC(=O)N(C=C1C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5EJ	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-ethoxy-5-methylpyrimidin-2(1h)-one
+c1ccc(c(c1)c2nnnn2CC(=O)NNC(=O)Nc3ccc4ccn(c4c3)c5ccccc5Cl)Cl	5EK	n-[1-(2-chlorophenyl)-1h-indol-6-yl]-2-{[5-(2-chlorophenyl)-1h-tetrazol-1-yl]acetyl}hydrazinecarboxamide
+c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)NCc5ccncc5	5EL	4-(4-{[(3s)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)-n-(pyridin-4-ylmethyl)benzamide
+CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)N	5EM	n-[(2s)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide
+C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)(C(F)F)O	5EN	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3s)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
+CCCOc1ccc(cc1C2=NC(=CC(=O)N2)CC)S(=O)(=O)N3CCN(CC3)C	5EO	6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+CC[C@H](C)[C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N	5EP	n~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-n-hydroxy-l-isoleucinamide
+c1cc2c(cc[nH]2)cc1C(=O)C=C(C(=O)O)O	5EQ	(2z)-2-hydroxy-4-(1h-indol-5-yl)-4-oxobut-2-enoic acid
+c1ccc2c(c1)c(c[nH]2)C(=O)/C=C(/C(=O)O)\O	5ER	(2z)-2-hydroxy-4-(1h-indol-3-yl)-4-oxobut-2-enoic acid
+c1cc(cc(c1)Nc2ccc(cc2)F)C=C(c3ccc(cc3)O)c4ccc(cc4)O	5ES	4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
+c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O	5ET	4,4'-thiene-2,5-diylbis(3-chlorophenol)
+Cc1cc(sc1c2ccc(cc2Cl)O)c3ccc(cc3Cl)O	5EU	4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol)
+Cc1cc2ccc(cc2n1c3ccccc3Oc4ccccc4)Nc5nccc(n5)NC	5EV	n~4~-methyl-n~2~-[2-methyl-1-(2-phenoxyphenyl)-1h-indol-6-yl]pyrimidine-2,4-diamine
+Cc1cc2ccc(cc2n1c3cc(cnc3Cl)C4=C(C=CN(C4=O)C)C)Nc5nccc(n5)NC	5EW	6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1h-indol-1-yl)-3,3'-bipyridin-2(1h)-one
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCC3CCC3	5EX	ethyl (2z,4s)-4-[(n-{[(cyclobutylmethyl)amino](oxo)acetyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+c1ccc\2c(c1)C[C@H](/C2=C/c3ccc4c(c3C(=O)O)O[C@@H](CO4)CCC(=O)O)O	5EY	(3r)-3-(3-hydroxy-3-oxopropyl)-6-[(e)-[(2r)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1c2c(cc(c1OC[C@@H]3CCNC3)Cl)C(=O)NC=C2	5EZ	7-choro-6-[(3r)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CF)O)N	5F1	5'-fluoro-2',5'-dideoxyadenosine
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C	5F2	ethyl (2z,4s)-4-[(n-acetyl-l-phenylalanyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3	5F3	3,5-di(pyridin-4-yl)benzoic acid
+CNC(=O)c1cc(c[nH]1)C(=O)c2c(cccc2Cl)Cl	5F4	4-(2,6-dichlorobenzoyl)-n-methyl-1h-pyrrole-2-carboxamide
+c1cc(cc(c1)C(=O)O)c2nccs2	5F5	3-(1,3-thiazol-2-yl)benzoic acid
+c1cc(c(c(c1)Cl)C(=O)c2ccc3c(c2)cccn3)Cl	5F6	(2,6-dichlorophenyl)(quinolin-6-yl)methanone
+CN(c1ccc2c(c1)c(ccn2)OC)c3c(cccc3Cl)Cl	5F7	n-(2,6-dichlorophenyl)-4-methoxy-n-methylquinolin-6-amine
+c1cc(cc(c1)C(=O)O)c2cccnc2	5F8	3-(pyridin-3-yl)benzoic acid
+CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	5F9	arachinoyl-coa
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N	5FA	adenosine-5'-pentaphosphate
+COc1cc(ccc1Oc2ccc(cc2C(F)(F)F)C#N)C[C@@H]3C(=O)NC(=O)S3	5FB	4-(4-{[(5r)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)O)O	5FC	5-formyl-2'-deoxy-cytidine-5'-monophosphate
+[H]/N=C/1\C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O	5FD	5'-fluoro-5'-deoxyadenosine
+C[C@@H](C(=O)N[C@H]([C@H](CC(=O)OC)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	5FE	5,5,5-trifluoro-3-hydroxy-4-[2-(5,5,5-trifluoro-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid methyl ester
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)OC)N2)C(F)(F)F	5FF	(5r,7s)-5-(4-ethylphenyl)-n-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(cc1)C[C@H]2C(=O)NC(=O)N2	5FH	(5s)-5-benzylimidazolidine-2,4-dione
+CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F	5FI	2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1h-benzimidazole
+CC(C)(C)NC(=O)c1cncn1C2CCN(CC2)c3ccc(cn3)c4nnc(o4)C(F)(F)F	5FJ	n-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1h-imidazole-5-carboxamide
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cn4)F)N2)C(F)(F)F	5FK	(5r,7s)-5-(4-ethylphenyl)-n-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1cc(cc(c1)C(=O)O)c2ccncc2	5FL	3-(pyridin-4-yl)benzoic acid
+CC1=N[C@@H]2[C@H]([C@@H]([C@](O[C@@H]2O1)(CO)F)O)O	5FN	(3as,5s,6s,7r,7ar)-5-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]oxazole-6,7-diol
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)F)CC)S(=O)(=O)N3CCN(CC3)C	5FO	6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+C[C@@H](C(=O)N[C@H]([C@H](CC(=O)O)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	5FP	5,5,5-trifluoro-3-hydroxy-4-[2-(5,5,5-trifluoro-3-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid
+CCCCCNC(=O)[C@H](C)N	5FQ	n-pentyl-l-alaninamide
+Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)CCC(=O)N)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C	5FR	4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1h-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-n-(1-methylpipe ridin-4-yl)benzamide
+Cc1cc(ccc1C2=CS(=O)(=O)C=C2c3ccc(cc3C)O)O	5FS	3,4-bis(4-hydroxy-2-methylphenyl)-1h-1lambda~6~-thiophene-1,1-dione
+Cc1cc(ccc1O)C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(c(c5)C)O	5FT	phenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F	5FU	5-fluoro-uridine-5'-monophosphate
+Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(cc5C)O)O	5FV	phenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
+CC(C)NC[C@@H](c1ccc(c(c1)O)O)O	5FW	isoprenaline
+C([C@H]([C@@H](C(=O)CO)O)O)F	5FX	5-deoxy-5-fluoro-d-xylulose
+Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccc(cc4)O)c5ccc(cc5C)O)O	5FY	4-hydroxyphenyl (1s,2s,4s,7s)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
+CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	5G0	(z)-[(3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] n-phenylcarbamate
+c1ccc(c(c1)C(=O)NN)Cl	5G1	2-chlorobenzohydrazide
+c1cc(c(cc1O)Cl)C2=CS(=O)(=O)C=C2c3ccc(cc3Cl)O	5G2	3,4-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~6~-thiophene-1,1-dione
+c1ccc(c(c1)/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O)Cl	5G3	4-[(e)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
+Cc1ccccc1/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O	5G4	4-{(e)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol
+c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3)O)Cl	5G5	4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol
+c1ccc(cc1)N=C(c2ccc(cc2)O)c3ccc(cc3)O	5G6	4,4'-(phenylcarbonimidoyl)diphenol
+Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3)O	5G7	4,4'-[(2-methylphenyl)carbonimidoyl]diphenol
+c1cc(c(cc1Cl)Cl)OCCCCCn2ccnc2	5G8	1-[5-(2,4-dichlorophenoxy)pentyl]-1h-imidazole
+c1cc(cc(c1)Cl)c2c(sc(n2)N)c3ccc4c(n3)cccn4	5G9	4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
+c1cc2c(ccc(n2)c3c(nc(s3)N)c4ccc(c(c4)Cl)F)nc1	5GA	4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
+Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4	5GB	4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
+CC(C)S(=O)(=O)c1c(n[nH]c1SC)N	5GC	5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1h-pyrazol-3-amine
+Cc1cc(cc(c1OCCN2CCCC2)C)C3=Nc4cc(cc(c4C(=O)N3)OC)OC	5GD	2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3h)-one
+C([C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O	5GF	5-fluoro-beta-d-glucopyranose
+C(CCNCCCCN)C[C@@H](C(=O)O)N	5GG	deoxyhypusine
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)CCc2ccccc2	5GH	ethyl (4s)-5-[(3s)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate
+Cc1cc(no1)C(=O)N[C@@H](Cc2ccc(cc2)F)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C=O	5GI	~{n}-[(2~{s})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
+c1ccc(cc1)C2(CC2)C(=O)N3CCC[C@H](C3)O	5GJ	[(3r)-3-hydroxypiperidin-1-yl](1-phenylcyclopropyl)methanone
+c1cc(cc(c1)C(F)(F)F)C2CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4	5GK	5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1h)-one
+CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C	5GL	4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{h}-cyclopenta[d]pyrimidin-2-one
+CC[C@H](C)C[C@@](C)(C(=O)O)N	5GM	(4s)-2,4-dimethyl-l-norleucine
+Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cc(cc4)Br)C	5GN	n-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)OS(=O)(=O)O)O)O	5GO	4-o-(3-o-sulfo-beta-d-galactopyranosyl)-beta-d-glucopyranose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	5GP	guanosine-5'-monophosphate
+CC1=CN2CC(CN=C2C=C1)O	5GQ	7-methyl-3,4-dihydro-2~{h}-pyrido[1,2-a]pyrimidin-3-ol
+Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4cn(nn4)Cc5ccccc5)C	5GR	n-(5-{3-[(1-benzyl-1h-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
+C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)O	5GS	2'-c-methyluridine 5'-(trihydrogen diphosphate)
+c1cc2c(cc1C(F)(F)F)NC(=O)CN2	5GT	7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1h)-one
+c1cc2c(cc1Br)NC(=O)CN2	5GU	7-bromo-3,4-dihydroquinoxalin-2(1h)-one
+CC[C@@H]1C(=O)Nc2cc(ccc2N1)C(=O)O	5GV	(2r)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
+c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	5GW	5-phenyluridine 5'-(trihydrogen diphosphate)
+Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5ccccc5	5GX	7-(1-benzyl-1h-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridine
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CF)O)CCOP(=O)(O)OP(=O)(O)O	5GY	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1r)-2-fluoro-1-hydroxyethyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Oc2c(cccc2Cl)[N+](=O)[O-]	5GZ	4-(2-chloro-6-nitrophenoxy)-n-[2-(diethylamino)ethyl]benzenesulfonamide
+c1ccc(cc1)S(=O)(=O)NN2C(=O)[C@H](SC2=S)Cc3ccc(cc3)Br	5H	5r-(4-bromophenylmethyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine
+CC(=O)O[C@H]1[C@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC	5H0	(2r,3r)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate
+c1cc2c(cc[nH]2)cc1O	5H1	1h-indol-5-ol
+COC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)c4nncn4c5ccccc5Cl	5H2	methyl {2-[4-(2-chlorophenyl)-4h-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate
+[H]/N=C(\c1cccs1)/Nc2cccc(c2)CNCCc3cccc(c3)F	5H3	n-[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide
+[H]/N=C(\c1cccs1)/Nc2cccc(c2)CN(CC)CCc3cccc(c3)F	5H4	n-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide
+C[C@@H](C(=O)N)Oc1ccc-2c(c1)OCCn3c2nc(c3)c4ncnn4C(C)C	5H5	(2s)-2-({2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide
+c1cc(sc1c2cc(no2)C(=O)O)Cl	5H6	5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
+C[C@H]1C[C@H](C[C@H](C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F	5H7	n-{4-[(1r,3s,5s)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
+CC(C)C[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	5H8	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-3-methyl-l-valine
+CC(C)C[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	5H9	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-4-methyl-l-leucine
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CC4)O	5HA	n-[(1s,2r)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]isophthalamide
+CN(C[C@@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3	5HB	n-{[(3r)-1-benzylpiperidin-3-yl]methyl}-n-methylnaphthalene-2-sulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)O)O	5HC	2'-deoxy-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)
+C(CCO)CC(CCCCO)CCO	5HD	5-(2-hydroxyethyl)nonane-1,9-diol
+CC\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@@H](CCCC(=O)O)O	5HE	(5r,6e,8z,11z,14z,17z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid
+COCCN(C[C@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3	5HF	n-{[(3s)-1-benzylpiperidin-3-yl]methyl}-n-(2-methoxyethyl)naphthalene-2-sulfonamide
+c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)O)N	5HG	{[2-(6-amino-9h-purin-9-yl)ethoxy]methyl}phosphonic acid
+c1ccc(cc1)CN2CCC[C@H](C2)CNS(=O)(=O)c3ccc4ccccc4c3	5HH	n-{[(3r)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide
+CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)N[C@H](CO)c3ccccc3	5HI	(3r,5r)-7-[2-(4-fluorophenyl)-4-{[(1s)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1h-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
+COc1ccc(cc1)[C@@H]2N(C(=O)CS2)C3CC3	5HJ	(2r)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
+CN(C)C(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)c4ccc(c(c4)OC)[N+](=O)[O-]	5HK	2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]-n,n-dimethylacetamide
+CCc1cccc2c1NC(=O)C(=C2)CNC3CC3	5HL	3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1h)-one
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)CO	5HM	5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)
+c1c(cncc1O)C(=O)O	5HN	5-hydroxypyridine-3-carboxylic acid
+c1cc(ncc1Cl)NC(=O)C(=O)N2CCCC2	5HO	n-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide
+C1CC(=O)N[C@@H]1C(=O)O	5HP	pyroglutamic acid
+c1cc(oc1)c2ccc(cn2)CN	5HQ	1-[6-(furan-2-yl)pyridin-3-yl]methanamine
+c1ccc(cc1)CNC[C@H](N)P(=O)(O)O	5HR	[(1r)-1-amino-2-(benzylamino)ethyl]phosphonic acid
+Cc1conc1CCc2cccnc2	5HS	3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)O	5HT	5-hydroxy-thymidine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O	5HU	5-hydroxymethyluridine-2'-deoxy-5'-monophosphate
+CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCc5ccc(cc5)F	5HV	n-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1h-cyclopenta[d]pyrimidin-1-yl}-n-{[ 4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide
+C[C@@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1	5HW	4,4'-{[(3r)-3-methylcyclohexylidene]methanediyl}diphenol
+c1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O	5HX	4-[(e)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol
+C([C@@H]1C(=O)NC(=O)N1)C(=O)O	5HY	[(4r)-2,5-dioxoimidazolidin-4-yl]acetic acid
+c1cc(ccc1C(=C2C3CCCC2CCC3)c4ccc(cc4)O)O	5HZ	4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol
+CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CCC[C@H](C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl	5I1	n-[4-[(3r)-3-[[5-chloranyl-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
+c1cc(c(c(c1)NS(=O)(=O)c2cc(ccc2F)F)F)c3c(sc(n3)[C@@H]4COCCN4)c5ccnc(n5)N	5I4	~{n}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{s})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide
+C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c3c2ncnc3N)I)O)O	5I5	7-(5-deoxy-beta-d-ribofuranosyl)-5-iodo-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+COc1ccc(cc1NC(=O)c2cccc3c2oc4c3cccc4)C(=O)NO	5IB	~{n}-[2-methoxy-5-(oxidanylcarbamoyl)phenyl]dibenzofuran-4-carboxamide
+C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)I	5IC	5-iodo-cytidine-5'-monophosphate
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I	5ID	(2r,3r,4s,5r)-2-(4-amino-5-iodo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCCOC	5IG	6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2,2-dimethyl-2h-1,4-benzoxazin-3(4h)-one
+C[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O	5II	methyl 2-deoxy-2-methyl-alpha-d-mannopyranoside
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)C)\C)OC)(NC(=O)O2)O	5IJ	(1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate
+CN(Cc1ccccc1)Cc2ccc(cc2)COc3ccc4c(c3)OC(=O)C=C4CO	5IK	4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one
+c1c(nc(s1)N2CCCCC2)N	5IM	2-(1-piperidinyl)-1,3-thiazol-4-amine
+c1ccc(cc1)COC[C@@H](C(=O)NCc2ccc(cc2)C(=N)N)NC(=O)[C@@H](CO)NS(=O)(=O)Cc3ccccc3	5IN	n-(benzylsulfonyl)-l-seryl-n~1~-{4-[amino(imino)methyl]benzyl}-o-benzyl-l-serinamide
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)I)CC)S(=O)(=O)N3CCN(CC3)C	5IO	6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+C1([C@@H]([C@H](C([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	5IP	(1r,2r,3r,4r,5s,6s)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]
+c1cc2cnccc2c(c1)N	5IQ	isoquinolin-5-amine
+c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)[N-]4CC[NH2][Ir+3]4	5IR	[n-(4-{[2-(amino-kappan)ethyl]sulfamoyl-kappan}phenyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(iii)
+C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)OC	5IS	(1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O	5IT	5-iodo-thymidine-5'-phosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O	5IU	5-iodo-2'-deoxyuridine-5'-monophosphate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3	5IW	(2s)-4-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2s)-3-phenyl-2-[[(e)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)Cc5ccccc5)C)\C)OC)(NC(=O)O2)O	5IX	(1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate
+CC[C@H](C)[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	5IZ	(2s,3s)-3-methyl-n-[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(e)-3-phenylprop-2-enoyl]amino]pentanamide
+c1cc(cc(c1)O)C(=C2C3CCCC2CCC3)c4ccc(cc4)O	5J0	3-[(e)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol
+c1cc(ccc1C(c2ccc(cc2)O)C3C4CCCC3CCC4)O	5J1	4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol
+c1cc(ccc1/C(=N\c2ccc(cc2)F)/c3ccc(cc3O)O)O	5J2	4-[(e)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
+c1cc2c(cc1NC3=CC=C3)sc(n2)c4nc(cs4)O	5J4	2-[6-(cyclobuta-1,3-dien-1-ylamino)-1,3-benzothiazol-2-yl]-1,3-thiazol-4-ol
+c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O	5J5	2-[(chloroacetyl)amino]-5-[(e)-(4-sulfophenyl)diazenyl]benzenesulfonic acid
+COC(=O)c1c(nc(nc1c2ccc(cc2Br)F)c3nccs3)CN4CCOCC4	5J6	methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4cc(c(c(c4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/c6ccc(c(c6)O)O)O)O)O)O)O	5J7	5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4h-chromen-3-yl 6-deoxy-2-o-{6-o-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-d-glucopyranosyl}-alpha-l-mannopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CCCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N	5J8	[[(2r,3s,4r,5r)-5-(5-aminocarbonyl-3,4-dihydro-2h-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)CN5C=CC(=NC5=O)N	5J9	3'-{4-[(4-amino-2-oxopyrimidin-1(2h)-yl)methyl]-1h-1,2,3-triazol-1-yl}-3'-deoxyadenosine
+C[C@@H]1Cc2c(c(n(n2)C)c3ccccc3)-c4c1cnc(n4)Nc5ccn(n5)CCN6CCN(CC6)CCOC	5JA	(5r)-n-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1h-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5h-pyrazolo[3,4-h]quinazolin-2-amine
+C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C	5JB	(25s)-3-oxocholest-4-en-26-oyl-coa
+c1cc(c(cc1Cl)Cl)O	5JC	2,4-dichlorophenol
+c1cc(c(cc1O)Cl)Cl	5JD	3,4-dichlorophenol
+c1ccc2c(c1)[nH]c(n2)n3ccnc3	5JE	2-imidazol-1-yl-1h-benzimidazole
+c1cc(c(c(c1)Cl)Cl)O	5JF	2,3-dichlorophenol
+COc1cc(c(cc1OC)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4	5JG	6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-n-(piperidin-4-ylmethyl)-3h-imidazo[4,5-b]pyridin-7-amine
+CCCCCCC(=O)O[C@H]1CC(=O)N(c2cc(cc(c2Cl)OC)C/C(=C/C=C/[C@H]([C@]3(C[C@H]([C@H]([C@H]4[C@]1(O4)C)C)OC(=O)N3)O)OC)/C)C	5JH	(1r,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate
+CCC#CCN(c1ccc2c(c1)c(ccn2)N)c3c(cccc3Cl)Cl	5JJ	n~6~-(2,6-dichlorophenyl)-n~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C	5JK	7alpha-hydroxycholesterol
+C12=C(NC(=S)N1)NC(=S)NC2=O	5JL	2,8-dithioxo-1,2,3,7,8,9-hexahydro-6h-purin-6-one
+c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)C(=O)O)NC(=O)/C=C/c3cc(ccc3n4cnnn4)Cl	5JM	4-[(n-{(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}-l-phenylalanyl)amino]benzoic acid
+Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)OCCO[N+](=O)[O-])C	5JN	2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate
+C#CCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	5JO	2'-o-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate)
+CN[C@@H](CO)C(=O)O	5JP	n-methyl-l-serine
+C12=C(NC(=O)N1)NC(=S)NC2=O	5JQ	2-thioxo-2,3,7,9-tetrahydro-1h-purine-6,8-dione
+CCC(=O)Nc1ccccc1Nc2ncc3c(n2)N(C(=O)N(C3)c4cc(cc(c4)OC)OC)CCCN5CCN(CC5)C(=O)CC	5JR	n-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4h-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide
+C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)Cc5ccccc5)C)\C)OC	5JS	(1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate
+c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)N	5JT	(3r)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
+Cc1c(cccn1)c2c3cc(ccc3sc2Cl)NC(=O)NCC(=O)NCCCN(C)[C@@H]4CCCN(C4)c5c6c(ncn5)N=CC6	5JU	n~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-n-(3-{methyl[(3r)-1-(5h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)CCC(=O)O)O	5JV	4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-4-enoic acid
+c1cc-2c(cc1Cl)C(=NOCC(=O)O)c3c2ccc(c3)Cl	5JW	{[(2,7-dichloro-9h-fluoren-9-ylidene)amino]oxy}acetic acid
+c1cc(ccc1C(=C2CCC(CC2)CF)c3ccc(cc3)O)O	5JX	4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol
+CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1	5JY	4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol
+CCOc1nc(nc(n1)n2cnc3c2cc(cc3)C(=O)N4CCCc5c4cccc5)N[C@@H](Cc6ccc7c(c6)COC(O7)(C)C)C(=O)NC	5JZ	n~2~-{4-[6-(3,4-dihydroquinolin-1(2h)-ylcarbonyl)-1h-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4h-1,3-benzodioxin-6-yl)-n-methyl-l-alaninamide
+CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1	5K0	4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol
+CS[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1	5K1	4,4'-{[(3s)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol
+c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2	5K2	4,4'-(3,4-dihydronaphthalen-2(1h)-ylidenemethanediyl)diphenol
+CO[C@@H](CCc1ccc(cc1)O)O	5K3	4-[(3s)-3-hydroxy-3-methoxypropyl]phenol
+CC[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1	5K4	4,4'-{[(3s)-3-ethylcyclohexylidene]methanediyl}diphenol
+c1cc(ccc1C(=C2CC[C@H]3CCCC[C@@H]3C2)c4ccc(cc4)O)O	5K5	4,4'-[(4ar,8ar)-octahydronaphthalen-2(1h)-ylidenemethanediyl]diphenol
+COC(=O)CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1	5K7	methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate
+COC(=O)C([C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1)C(=O)OC	5K8	dimethyl {(1s)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate
+c1cc(ccc1C(=C2CCC(CC2)CCOCCCCF)c3ccc(cc3)O)O	5KA	4,4'-({4-[2-(4-fluorobutoxy)ethyl]cyclohexylidene}methanediyl)diphenol
+c1ccc(cc1)[C@@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2	5KB	4,4'-{[(3r)-3-phenylcyclohexylidene]methanediyl}diphenol
+C([C@@H]([C@@H](C(=O)O)N)O)NCC(=O)O	5KC	(2s,3s)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid
+COc1ccc(cc1)[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2	5KD	4,4'-{[(3s)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol
+c1cc(ccc1[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2)O	5KE	4,4'-{[(3s)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol
+c1cc(ccc1C(=C2CCC[C@@H](C2)CCO)c3ccc(cc3)O)O	5KF	4,4'-{[(3s)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol
+c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O	5KG	4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol
+Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)c4cccc(c4)C(F)(F)F)O	5KH	n-(1-acetyl-1h-indol-3-yl)-n-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide
+C[C@@H]1[C@@H]2C=C([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)C)\C)OC)NC(=O)O2	5KI	(1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate
+[H]/N=C(\NO)/N(C)CCC[C@@H](C(=O)O)N	5KJ	n~5~-(n-hydroxycarbamimidoyl)-n~5~-methyl-l-ornithine
+C1CNCN2CNCCNCN(CN1)CNCCNC2	5KK	1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane
+CN(C)/C=C/C(=O)c1ccccc1O	5KL	(2e)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
+c1cc(cc2c1ccc(n2)CO[C@@H]3C=CO[C@@H]([C@@H]3O)CO)C(=O)O	5KM	2-[[(2~{r},3~{r},4~{r})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{h}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid
+c1cc(c(cc1N2CCOCC2)N3CCOCC3)N	5KN	2,4-di(morpholin-4-yl)aniline
+C[C@H](CC=O)O	5KO	(3r)-3-hydroxybutanal
+Cc1c(cccc1Cl)NC(=O)CCCN2C(=O)c3c(c(n(n3)c4ccccc4)C)C(=N2)C	5KP	n-(3-chloro-2-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6h-pyrazolo[3,4-d]pyridazin-6-yl)butanamide
+CC(=O)NC[C@@H]([C@@H]([C@H]1[C@@H]([C@H](C[C@@](O1)(C(=O)O)O)O)NC(=O)C)O)O	5KQ	(6r)-5-acetamido-6-[(1s,2s)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-l-threo-hex-2-ulopyranosonic acid
+Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)Br)C(=O)Nc3ccccc3C(=O)O	5KR	2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid
+c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6ccc(cc6)F)O)CO)O)F	5KS	3-deoxy-3-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-1-thio-beta-d-galactopyranoside
+c1cscc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6ccsc6)O)CO)O	5KT	3-deoxy-3-[4-(thiophen-3-yl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranoside
+CC(=O)N[C@H]1[C@@H](C=C(O[C@H]1[C@@H]([C@H](CO)O)OC(=O)NCCOCCOC)C(=O)O)N=C(N)N	5KU	(6r)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11r,12s)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-d-threo-hex-2-enonic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O	5KV	2-deoxy-6-o-sulfo-2-(sulfoamino)-beta-d-glucopyranose
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4ccccc4NC(=O)CCl)Cl	5KW	2-chloro-n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide
+c1cnc([nH]1)Cl	5KX	2-chloro-1h-imidazole
+Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)C(F)(F)F)C(=O)O	5KY	2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid
+CC(=O)OC[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C	5KZ	(1s)-2,3,4,6-tetra-o-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-d-allitol
+CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4cccc5n4ccn5	5L0	1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone
+CC(=O)OC[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)S(=O)(=O)N2C[C@@H](C[C@H]2C(=O)OC)OS(=O)(=O)N)O)O)O	5L2	methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carb  oxylate
+CC(=O)O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)CO)O)O	5L3	(6r)-5-o-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-l-glucitol
+c1cc(ccc1CCO)c2cnc(c(n2)C(=O)Nc3cnccc3N4CCOCC4)N	5L4	3-amino-6-[4-(2-hydroxyethyl)phenyl]-n-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide
+C[C@@H]1[C@@H]2CC(=NC(=O)O2)[C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)CCCCC#C)C)\C)OC	5L5	(1s,2r,3s,5s,6s,16e,18e,20r)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate
+CC(C)Oc1ccc(cc1)c2c[nH]cc2CN(C)CCN	5L6	n-methyl-n-({4-[4-(propan-2-yloxy)phenyl]-1h-pyrrol-3-yl}methyl)ethane-1,2-diamine
+Cc1c(cccc1OCc2cccnc2c3ccnn3C(C)C)O	5L7	2-methyl-3-({2-[1-(propan-2-yl)-1h-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol
+c1ccc(c(c1)C[C@@](Cn2cncn2)(C3(CC3)Cl)O)Cl	5L8	(2~{r})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
+c1ccc(c(c1)C[C@](Cn2cncn2)(C3(CC3)Cl)O)Cl	5L9	(2~{s})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
+c1c2cc(sc2[nH]c1C(=O)O)Cl	5LA	2-chloranyl-6~{h}-thieno[2,3-b]pyrrole-5-carboxylic acid
+c1c(nnn1CCN)C[C@@H](C(=O)O)N	5LB	(2~{s})-2-azanyl-3-[1-(2-azanylethyl)-1,2,3-triazol-4-yl]propanoic acid
+c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O	5LC	n,n'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)
+c1ncn(n1)C[C@H](CP(=O)(O)O)O	5LD	[(2r)-2-hydroxy-3-(1h-1,2,4-triazol-1-yl)propyl]phosphonic acid
+c1c(nnn1CCCN)C[C@@H](C(=O)O)N	5LE	(2~{s})-2-azanyl-3-[1-(3-azanylpropyl)-1,2,3-triazol-4-yl]propanoic acid
+c1c(nnn1CCCCCCN)C[C@@H](C(=O)O)N	5LF	(2~{s})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoic acid
+CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCn2cc(nn2)C[C@@H](C(=O)N1)NC(=O)OCc3ccccc3)CO	5LG	(phenylmethyl) ~{n}-[(8~{s},11~{s},14~{s})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate
+CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCn2cc(nn2)C[C@@H](C(=O)N1)NC(=O)OCc3ccccc3)CO	5LH	(phenylmethyl) ~{n}-[(9~{s},12~{s},15~{s})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate
+c1cc(c(c(c1)Cl)Cl)C(=O)NCCN(C=O)O	5LI	2,3-dichloro-n-{2-[formyl(hydroxy)amino]ethyl}benzamide
+c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO	5LJ	(phenylmethyl) ~{n}-[(12~{s},15~{s},18~{s})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate
+CN1CCN(CC1)c2cccc(c2)c3cnn4c3N=C[C@H](C4N)c5ccc(cc5)O	5LK	4-{(6r,7r)-7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl}phenol
+c1cc(oc1)/C=C/C=C2C(=O)NC(=O)NC2=O	5LL	5-[(e)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
+c1cc(sc1)/C=C/C=C2C(=O)NC(=O)NC2=O	5LM	5-[(e)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
+C(O)[Ru](CO)(O)(O)Cl	5LN	chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium
+CC1(CCC(c2c1cc3c(c2)O[C@H]4[C@@]3(CCC4)c5ccc(cc5)C(=O)O)(C)C)C	5LO	4-[(11s,15r)-4,4,7,7-tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid
+Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)Cl)C(=O)O	5LP	2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid
+CC1=C(S(=O)(=O)N=C1NCCCN2CCOCC2)c3cccc(c3)Cl	5LQ	5-(3-chlorophenyl)-4-methyl-~{n}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine
+CC1=C(S(=O)(=O)N=C1NCCCN2CCc3ccccc3C2)c4ccc(cc4)Cl	5LR	5-(4-chlorophenyl)-~{n}-[3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O	5LS	2,4-di-o-sulfo-alpha-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	5LT	3,4-di-o-sulfo-alpha-d-glucopyranose
+CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2	5LU	prochloraz
+CC1=Cc2c(cnc(c2NC1=O)NC3CCN(CC3)CCCN)c4cc(cnc4)CO	5LV	8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{h}-1,7-naphthyridin-2-one
+C[C@H]1CO[C@@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl	5LW	1-[[(2~{s},4~{s})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
+C[C@H]1CO[C@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl	5LX	1-[[(2~{r},4~{s})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
+C[C@@H]1CO[C@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl	5LY	1-[[(2~{r},4~{r})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
+C[C@@H]1CO[C@@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl	5LZ	1-[[(2~{s},4~{r})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
+Cc1ccc(c(c1)C(=O)O)N	5M0	2-azanyl-5-methyl-benzoic acid
+Cc1ccc([nH]1)C(=O)O	5M1	5-methyl-1h-pyrrole-2-carboxylic acid
+Cc1c2cc[nH]c2ccc1C(=O)/C=C(/C(=O)O)\O	5M2	(~{z})-4-(4-methyl-1~{h}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid
+Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)NC[C@H]4CCCO4	5M6	1-(4-chlorophenyl)-3-methyl-~{n}-[[(2~{r})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide
+c1ccc(cc1)c2c3cc(ccc3nc(c2C(=O)O)N4CCCCC4)Cl	5M7	6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
+Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O	5M8	6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid
+Cc1cc(c(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C)Cl	5M9	6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
+c1cc2c([nH]nc2nc1)Cn3c4ccc(c(c4nn3)Oc5cc(cc(c5Cl)CN)Cl)Cl	5MA	1-(2,5-dichloro-3-{[5-chloro-1-(2h-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1h-benzotriazol-4-yl]oxy}phenyl)methanamine
+Cc1ccc2c(c1)[nH]cn2	5MB	5-methylbenzimidazole
+CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	5MC	5-methylcytidine-5'-monophosphate
+CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O	5MD	2'-deoxy-1-methyl-pseudouridine
+C[C@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	5ME	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1r)-1-(pyridin-2-yl)ethyl]propanamide
+CCc1cnc(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C	5MF	8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
+c1ccc(cc1)c2c(nc([nH]2)Cl)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F	5MG	3-(2-chloranyl-5-phenyl-1~{h}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one
+CC1=CN(C(=S)C=C1)O	5MH	1-hydroxy-5-methylpyridine-2(1h)-thione
+Cc1ccc2c(c1)cc[nH]2	5MI	5-methyl indole
+CC1=C(CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(cc3)OC	5MJ	3-chloranyl-~{n}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide
+c1cc(c(cc1Cl)C(=O)N)N	5MK	2-azanyl-5-chloranyl-benzamide
+Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4cc5ccccc5nc4	5ML	3-methyl-~{n}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide
+CO[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	5MM	2-o-methyl-1,6-di-o-phosphono-d-mannitol
+Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4ccc5c(c4)cc[nH]5	5MN	~{n}-[5-(1~{h}-indol-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzamide
+Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4ccc5c(c4)CCO5	5MO	n-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
+Cc1cc[nH]c1	5MP	5-methylpyrrole
+Cc1cccc(c1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)c4cccc5c4OCC5	5MQ	n-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
+c1ccc(cc1)c2cc(on2)C[C@H](C[P@@](=O)(c3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N	5MR	nalpha-{(2s)-3-[(s)-hydroxy(phenyl)phosphoryl]-2-[(3-phenylisoxazol-5-yl)methyl]propanoyl}-l-tryptophanamide
+Cc1ccc(cc1NS(=O)(=O)C)Nc2cc(ncn2)c3ccccc3	5MS	n-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
+C[C@@H](c1nc2ccc(cc2n1c3cccc(c3)S(=O)(=O)C)F)Nc4c(c(ncn4)N)C#N	5MT	4-azanyl-6-[[(1~{s})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	5MU	5-methyluridine 5'-monophosphate
+C[C@@H](c1ccc(cc1)C(=O)NCCC(=O)O)n2c(cc(n2)c3cc(cc(c3)Cl)Cl)c4ccc5cc(ccc5c4)OC	5MV	3-[[4-[(1~{s})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid
+c1c(nnn1CCC[C@@H](C(=O)O)N)CN	5MW	(2~{s})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid
+c1ccc(cc1)COC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N	5MX	benzyl (2-{[(2-amino-4-oxo-3,4-dihydropteridin-7-yl)carbonyl]amino}ethyl)carbamate
+C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	5MY	myo-inositol-(1,3,4,5,6)-pentakisphosphate
+c1cc(cc(c1)N)c2nc(on2)CCl	5MZ	3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline
+Cn1ccnc1C(=O)Nc2cn(c(n2)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCC[C@H](C(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCCN(C)CCCNC(=O)c9cccc(c9)C(=O)O)C)N)C	5N0	3-({3-[(3-{[4-({4-[(4-{[4-({(2r)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1h-imidazole-2-carbonyl)amino]-1h-imidazole-2-carbonyl}amino)-1h-pyrrole-2-carbonyl]amino}-1h-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1h-imidazole-2-carbonyl]amino}-1-methyl-1h-pyrrole-2-carbonyl)amino]-1-methyl-1h-pyrrole-2-carbonyl}amino)-1-methyl-1h-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc3c2OCO3)c4ccncc4	5N1	6-ethyl-5-[(3~{s})-3-(6-pyridin-4-yl-1,3-benzodioxol-4-yl)but-1-ynyl]pyrimidine-2,4-diamine
+c1ccc2c(c1)C(=NNC2=O)Cc3cccc(c3)C(=O)N4CCN(CC4)c5c(cccn5)C#N	5N2	2-[4-[3-[(4-oxidanylidene-3~{h}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile
+CC1(c2c(c(nc(n2)c3c[nH]nc3)Nc4c5cccc(c5[nH]n4)Cl)CO1)C	5N3	~{n}-(7-chloranyl-1~{h}-indazol-3-yl)-7,7-dimethyl-2-(1~{h}-pyrazol-4-yl)-5~{h}-furo[3,4-d]pyrimidin-4-amine
+CC1(c2c(c(nc(n2)c3ccnn3C)Nc4c5ccccc5[nH]n4)CO1)C	5N4	~{n}-(1~{h}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{h}-furo[3,4-d]pyrimidin-4-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N	5N5	5'-amino-5'-deoxyadenosine
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)O)O	5N6	9-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN4CCN(CCC(=O)Nc5ccc(cc5)C[C@H](C(=O)N2)NS(=O)(=O)NC6CCCCC6)CC4)/N	5N7	(13s,16r)-n-(4-carbamimidoylbenzyl)-16-((n-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide
+C[C@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)c3cccc(c3)C(C4=NNC(=O)c5c4cccc5)(F)F	5N8	4-[bis(fluoranyl)-[3-[[(6~{s})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{h}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{h}-phthalazin-1-one
+Cc1cccc2c1ccc(c2C(=O)O)O	5NA	2-hydroxy-5-methyl naphthoic acid
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N	5NB	5'-amino-8-bromo-5'-deoxyadenosine
+C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)COP(=O)(O)O)O	5NC	5-aza-cytidine-5'monophosphate
+c1ccc2cc(ccc2c1)C[C@@H]3C(=O)NC(=O)N3	5ND	5-(2-naphthylmethyl)-d-hydantoin
+Cc1cccc2c1cccc2C(=O)O	5NE	5-methylnaphthalene-1-carboxylic acid
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O	5NG	[[(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-4-[[3-[2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+CCCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N(C)C)NC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)[C@H](C4CCCCC4)NC(=O)OC(C)(C)C	5NH	1,1-dimethylethyl [1-cyclohexyl-2-[3-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]pentyl]amino]carbonyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]carbamate
+c1cc2c(cc1[N+](=O)[O-])cn[nH]2	5NI	5-nitroindazole
+Cc1c(c(c(cn1)COP(=O)(O)O)CCC(=O)CCC(=O)O)O	5NJ	6-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-4-oxidanylidene-hexanoic acid
+Cc1cccc2c1nc(n2Cc3c(ccc(n3)C)O)NC4CCN(CC4)CCN	5NK	2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
+c1ccc2cc(ccc2c1)C[C@H]3C(=O)NC(=O)N3	5NL	5-(2-naphthylmethyl)-l-hydantoin
+CS(=O)(=O)CCCn1c2ccc(cc2nc1CN3c4cnccc4N(C3=O)C5CC5)Br	5NM	3-[[5-bromanyl-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-imidazo[4,5-c]pyridin-2-one
+c1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2	5NN	5-amino-3-phenyl-1,2-dihydroisoquinolin-1-one
+c1ccc2c(c1)nc(n2CCCCO)CN3c4cnccc4N(C3=O)C5CC5	5NO	1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
+c1cc(cnc1)C(=O)N2CCN3[C@]2(c4cnccc4C3=O)c5ccc(cc5)Cl	5NP	(9~{b}~{r})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one
+CCCCc1c(nc2nc(nn2c1C)SCc3nc4c(n3CC)C(=O)NC(=O)N4CCCC)C	5NQ	3-butyl-8-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione
+c1ccc(cc1)CC2CCN(CC2)CCN	5NR	2-[4-(phenylmethyl)piperidin-1-yl]ethanamine
+c1cc2c(cccc2S(=O)(=O)O)c(c1)N	5NS	5-aminonaphthalene-1-sulfonic acid
+c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H](C[C@H](N3)CO)O	5NT	2-azanyl-7-[(2~{s},3~{r},5~{s})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
+C1=C(C(=O)NC(=O)N1)[N+](=O)[O-]	5NU	5-nitrouracil
+CCn1c(nc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl)CSc4[nH]nc(n4)N	5NV	8-[(3-azanyl-1~{h}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione
+CC(C)(C)CNc1c2c(ccn1)cnc(n2)Nc3ccc(cc3OC)c4cnn(c4)C	5NW	n2-(2-methoxy-4-(1-methyl-1h-pyrazol-4-yl)phenyl)-n8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
+c1cc(cc(c1)Cl)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNC5=C(C(=O)C5=O)O)O)O	5NX	3-[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{h}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione
+Cc1ccc2c(c1)c(c3n2C[C@](CC3)(c4ccccc4)NC(=O)c5ccc(cc5Cl)n6cnnc6)c7[nH]nnn7	5NY	2-chloranyl-~{n}-[(7~{s})-2-methyl-7-phenyl-10-(1~{h}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{h}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide
+c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N	5NZ	6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine
+c1cc(cc(c1)S(=O)(=O)Oc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl	5O0	4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid
+Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)NC5CCCCC5	5O1	~{n}8-cyclohexyl-~{n}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
+c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N	5O2	6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine
+c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl	5O3	4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid
+c1ccc(cc1)c2c3c(ccnc3c4ccoc4)n[nH]2	5O4	4-(furan-3-yl)-3-phenyl-2~{h}-pyrazolo[4,3-c]pyridine
+c1cc(c(cc1OCc2[nH]nnn2)Cl)Cl	5O5	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{h}-1,2,3,4-tetrazole
+C/C(=C\C(=O)O)/c1ccc(cc1)OC	5O6	(~{e})-3-(4-methoxyphenyl)but-2-enoic acid
+Cn1cc(cn1)c2c3c(ccn2)cnc(n3)Nc4ccc(cc4OC)OC	5O7	~{n}-(2,4-dimethoxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
+c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNS(=O)(=O)C(F)(F)F)O)O	5O8	~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-1~{h}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-1,1,1-tris(fluoranyl)methanesulfonamide
+C[C@@H]1CN(C[C@@H](N1)C)c2ncc(c(n2)N)c3cccc(c3Cl)Cl	5OA	5-[2,3-bis(chloranyl)phenyl]-2-[(3~{r},5~{s})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine
+COc1ccc2c(c1)[nH]cn2	5OB	5-methoxybenzimidazole
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)O)COP(=O)(O)O)O	5OC	2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate)
+CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N	5OD	6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine
+Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)c5cnn(c5)C	5OE	~{n}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine
+c1ccc2c(c1)C(=NNC2=O)CC(=O)O	5OF	2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanoic acid
+c1ccc(cc1)NS(=O)(=O)c2cccc(c2)/C=C/C(=O)NO	5OG	belinostat
+C1[C@@H](NC(=N[C@H]1O)N)[C@@H](C(=O)O)N	5OH	(2s)-amino[(4r,6s)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid
+CCc1c2cc(ccc2nc(n1)[C@H](CC(C)C)N)c3cnco3	5OI	(1s)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
+c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO	5OJ	4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{n}-oxidanyl-benzamide
+c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C#C/C=C/C(=O)NO	5OK	oxamflatin
+CC(NCCCC[C@@H](C(=O)O)N)(O)O	5OL	n~6~-(1,1-dihydroxyethyl)-l-lysine
+C1[C@H](O1)C(CCCCC[C@@H](C(=O)O)N)(O)O	5OM	(2s)-2-amino-8,8-dihydroxy-8-[(2s)-oxiran-2-yl]octanoic acid
+c1cc(cc(c1)COc2cccc(c2)/C=C/C(=O)O)CC(=O)O	5ON	(~{e})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid
+c1cc(c(cc1Cl)Cl)/C=C/C(=O)O	5OO	(~{e})-3-(2,4-dichlorophenyl)prop-2-enoic acid
+CCCCCC(=O)\C=C\[C@@H]1[C@@H](CC(=O)[C@H]1CC=CCCCC(=O)O)O	5OP	(5e,13e)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid
+Cn1cc(cn1)c2cccc3c2cc(nc3)Nc4ccc(cc4OC)OC	5OQ	~{n}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
+c1cc(ccc1c2c(n3cc(ccc3n2)O)I)O	5OR	2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol
+c1cc(c(cc1O)Cl)c2cocc2c3ccc(cc3Cl)O	5OS	3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol
+c1cc(cc(c1)I)NC(=S)Nc2ccc(cc2)S(=O)(=O)N	5OT	1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea
+CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl	5OU	3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione
+Cc1c(c(c(cn1)COP(=O)(O)O)/C(=N/[C@@H](CS)C(=O)O)/NCCCC[C@@H](C(=O)O)N)O	5OW	(2~{s})-2-azanyl-6-[[(~{z})-~{c}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{n}-[(2~{r})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid
+CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCC(=O)O	5OX	(7e,11z,14z,17z,20z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid
+C(C[C@@H](C(=O)O)N)CP(=O)(O)O	5OY	5-phosphono-l-norvaline
+CC(C)C=O	5OZ	2-methylpropanal
+c1cc(ccc1c2c(n3cc(ccc3n2)O)C(F)(F)F)O	5P1	2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol
+CCN1CC(C1)n2c(ccn2)c3cc(ccc3Oc4ccc(cc4C#N)S(=O)(=O)Nc5ncns5)C(F)(F)F	5P2	3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{n}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
+c1ccc(cc1)c2cc(c(c(c2)Cl)O)C(=O)O	5P3	5-chloro-4-hydroxybiphenyl-3-carboxylic acid
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccco3)NC(=O)OC(C)C	5P4	propan-2-yl ~{n}-[(2~{s},4~{r})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{h}-quinolin-4-yl]carbamate
+CCCC(=O)OC[C@H](CO[P@](=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC	5P5	(2r)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate
+CC(C)C[C@@H](c1cc(c2cc(ccc2n1)c3ccncc3)C#N)N	5P6	2-[(1s)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile
+c1ccc2c(c1)c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO	5P7	(1s,2r,3r,5r)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F	5P8	(10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile
+c1ccc2c(c1)[C@@H](CC2=O)C(=O)Nc3ccc(cn3)Cl	5P9	n-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1h-indene-1-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O	5PA	n-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-y-lmethyl]-1-amino-cyclopropanecarboxylic acid
+c1ccc(cc1)COc2ccc(cc2)N3C(=O)NN=C3SCC(=O)c4ccc(cc4)Cl	5PB	4-[4-(benzyloxy)phenyl]-5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,4-dihydro-3h-1,2,4-triazol-3-one
+CC#CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5PC	5(1-propynyl)-2'-deoxycytidine-5'-monophosphate
+CC(C)(COP(=O)O)[C@H](C(=O)NCCC(=O)NCCS)O	5PD	(r)-3-hydroxy-4-((3-((2-mercaptoethyl)amino)-3-oxopropyl)amino)-2,2-dimethyl-4-oxobutyl hydrogen phosphonate
+COc1cc(ccc1O)[C@@H]2N(C(=O)CS2)Cc3ccccn3	5PE	(2r)-2-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
+c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@H](C4CCCCC4)O	5PF	(1~{r})-1-cyclohexyl-2-[(5~{s})-6-fluoranyl-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanol
+CN[C@@H](c1ccc(cc1)O)C(=O)O	5PG	(2s)-(4-hydroxyphenyl)(methylamino)ethanoic acid
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCCCNS(=O)(=O)c1ccc(c(c1)C(=O)O)O)c2ccccc2	5PH	5-[5-(1-carboxymethyl-2-oxo-propylcarbamoyl)-5-phenyl-pentylsulfamoyl]-2-hydroxy-benzoic acid
+CCCOc1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N)NS(=O)(=O)CC	5PI	n-(ethylsulfonyl)-5-propoxy-l-tryptophyl-n~1~-{4-[amino(imino)methyl]benzyl}-l-glutamamide
+c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)CC(=O)C4CCCCC4	5PJ	1-cyclohexyl-2-[(5~{s})-6-fluoranyl-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanone
+c1ccc2c(c1)-c3cncn3[C@H]2C[C@H](C4CCCCC4)O	5PK	(1~{r})-1-cyclohexyl-2-[(5~{s})-5~{h}-imidazo[1,5-b]isoindol-5-yl]ethanol
+CCCCCCCCCCCCCCCCCCCNC(=O)[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)OP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C	5PL	(1r,4s,6r)-6-({[2-(acetylamino)-2-deoxy-alpha-d-glucopyranosyl]oxy}methyl)-4-hydroxy-1-{[(15-methylhexadecanoyl)oxy]methyl}-4-oxido-7-oxo-3,5-dioxa-8-aza-4-phosphaheptacos-1-yl 15-methylhexadecanoate
+c1ccnc(c1)\C=N\c2ccc(cc2)Sc3ccc(cc3)/N=C/c4ccccn4	5PM	4,4'-sulfanediylbis{n-[(1e)-pyridin-2-ylmethylidene]aniline}
+Cc1c(c2c(cn1)C(=O)OC2)O	5PN	7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1h)-one
+CCCCCc1ccc(c(c1)O)Oc2ccccc2	5PP	5-pentyl-2-phenoxyphenol
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC4=C(C(=O)C4=O)O)O)O	5PQ	3-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione
+Cc1c(c(c(cn1)C(=O)O)CO)O	5PR	5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F	5PS	(r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide
+c1cc(ccc1C[C@@H](CCC(=O)NO)C(=O)O)C(=O)O	5PU	4-[(2~{r})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid
+c1ccc(cc1)CCCCC(=O)O	5PV	5-phenylvaleric acid
+CC(=O)Nc1nc2ccc(cc2s1)[N+](=O)[O-]	5PW	n-(6-nitro-1,3-benzothiazol-2-yl)ethanamide
+c1cc2c(cc1O)S(=O)(=O)NCN2C3CC3	5PX	4-cyclopropyl-3,4-dihydro-7-hydroxy-2h-1,2,4-benzothiadiazine 1,1-dioxide
+CC1=CN(C(=O)N=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5PY	1-(2'-deoxy-5'-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methylpyrimidin-2(1h)-one
+[H]/N=C\1/N(c2ccccc2N1C[C@@H](c3ccc(c(c3)Cl)Cl)O)Cc4ccccc4C	5PZ	(1~{r})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol
+c1cc2c(cccn2)c(c1)O	5Q0	quinolin-5-ol
+c1cc(ccc1C[C@H](CCC(=O)NO)C(=O)O)C(=O)O	5Q1	4-[(2~{s})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid
+CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)NCCc4ccc(cc4)Cl	5Q2	4-[2-(4-chlorophenyl)ethylamino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide
+CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccnc(n4)N	5Q3	4-[(2-azanylpyrimidin-4-yl)amino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide
+CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)Nc4ccccc4OC	5Q4	4-[(2-methoxyphenyl)amino]-~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{h}-pyridine-3-carboxamide
+Cc1ccccc1NC(=S)N	5Q5	1-(2-methylphenyl)thiourea
+c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3cccc(c3O)O	5Q6	[2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone
+CC(C)Cc1nc(c(o1)N)C#N	5Q7	5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
+c1ccc(cc1)Cc2nc(c(o2)N)C#N	5Q8	5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile
+CC(=O)N(C)Cc1c(cccc1Cl)Cl	5Q9	~{n}-[[2,6-bis(chloranyl)phenyl]methyl]-~{n}-methyl-ethanamide
+c1cc(c(c(c1)Cl)CNC(=O)CO)Cl	5QA	~{n}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide
+CC(=O)NCc1c(cccc1OC)OC	5QB	~{n}-[(2,6-dimethoxyphenyl)methyl]ethanamide
+c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6ccc7c(c6)c(no7)N)C4=O	5QC	1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-{[(3r)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one
+CC(=O)NCc1c(cccc1Cl)Cl	5QD	~{n}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide
+C[C@@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C)C#N)CC(OC3)(C)C	5QE	~{n}-[4-[2-[[5-cyano-8-[(2~{s},6~{r})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]ethanamide
+CC1(Cc2c(c(nc(c2C#N)SCCc3ccc(c(c3)OC)OC)N4CCN(CC4)CCOC)CO1)C	5QF	6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
+CC1(Cc2c(c(nc(c2C#N)SCCc3ccccc3)N4CCOCC4)CO1)C	5QG	3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
+c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cccc(c3)c4ccccn4)O	5QH	~{n}-[(2~{s})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-pyridin-2-yl-benzamide
+CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC(F)F)c2cnco2)N	5QI	n-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-d-leucinamide
+Cn1cnc2c1cc(cc2)c3ccnc(c3)NC[C@@H](CN4CCc5ccccc5C4)O	5QJ	(2~{s})-1-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol
+c1ccc2c(c1)CCN(C2)C[C@@H](CNC(=O)COc3cccc4c3nccc4)O	5QK	~{n}-[(2~{r})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-2-quinolin-8-yloxy-ethanamide
+c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cccc(c3)NC4CCOCC4)O	5QL	~{n}-[(2~{s})-3-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(oxan-4-ylamino)benzamide
+c1cc(cc2c1ccnc2)C#CCO	5QM	3-(isoquinolin-7-yl)prop-2-yn-1-ol
+CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCN=CC3)C(=O)C	5QN	methyl 2-[2-(3,5-dihydro-2~{h}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate
+Cc1c2nc3c(cccc3n1)-c4cc5c([nH]4)[C@@H](C/C=C\[C@H](N2)C)CNC5=O	5QO	 macrocyclic quinoxaline-pyrrolodihydropiperidinone
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O	5QP	(1r,2r,3s,5r,6s)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-d-glucopyranoside
+c1cc2cc(ccc2nc1)C(c3nnc4n3nc(cn4)c5ccc(cc5)F)(F)F	5QQ	6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
+CN1C=C(C=CC1=O)C(=O)Nc2cccc(c2)C(=O)O	5QR	3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid
+CC(C)(CNc1ncc(c(n1)CC2CC2)c3ccnc(n3)Nc4ccncc4)O	5QS	1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol
+CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S	5QT	2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{h}-1,2,4-triazin-6-yl)amino]ethanoate
+Cc1c(c(on1)C)[C@@H]2C[C@H](N[C@H](S2)N)c3cc(c(cc3F)F)c4cncnc4	5QU	(2~{r},4~{s},6~{s})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine
+Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3cc(c(cc3F)F)c4cncnc4	5QV	(4~{s},6~{s})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
+C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)N3CCOCC3	5QW	~{n}-[(2~{s})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{h}-1,5-benzothiazepine-7-carboxamide
+CN1c2ccccc2NCC1=O	5QX	1-methyl-3,4-dihydroquinoxalin-2-one
+C[C@H]1C(=O)Nc2ccccc2N1	5QY	(3~{s})-3-methyl-3,4-dihydro-1~{h}-quinoxalin-2-one
+CN(C)C(=O)c1cccc(c1)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	5QZ	5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid
+CC(C)(C)c1ccc(cc1)C(=O)O	5R0	4-~{tert}-butylbenzoic acid
+COc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N	5R1	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid
+CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@@H]5/C=C/CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6CC6	5R2	2-methyl-2-propanyl {(2r,6s,12z,13as,14ar,16as)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+COC(=O)[C@H](CO)N	5R5	methyl l-serinate
+C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7C[C@@H]([C@@H]([C@@]6(O7)C)O)N(C)C)O)C4=O)O)C(=O)OC)(C)O)O)O	5R6	nogalamycin ro
+C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N	5R7	(2~{s},3~{r})-3-methyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(sulfamoylamino)meth yl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CN1CCCN(CC1)Cc2ccc(cc2)CN	5R8	[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
+CN1CCCN(CC1)Cc2ccc3c(c2)cccn3	5R9	6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline
+CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(cc3C#N)CN4CCCN(CC4)C	5RA	5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile
+CCC[C@@H]1CCCCN1C(=O)c2cccc(c2)c3cccc(c3)n4c(c(cn4)C(=O)O)[C@@H]5C[C@H]5c6cn(nn6)C	5RB	5-[(1~{r},2~{r})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{r})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid
+CCc1c(cc(s1)C(=O)N[C@@H]2[C@@H](CCCC2(F)F)N)c3cnn4c3ncc(c4)C(F)(F)F	5RC	~{n}-[(1~{r},6~{r})-6-azanyl-2,2-bis(fluoranyl)cyclohexyl]-5-ethyl-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
+CCCCNCc1ccc(cc1)S(=O)(=O)N	5RD	4-(butylaminomethyl)benzenesulfonamide
+C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)F)NC(=O)Cc3cccc(c3)O	5RE	(2~{s})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{n}-[(1~{s})-1-phenylethyl]propanamide
+C[C@@H](c1ccccc1)NC(=O)[C@H](Cc2ccccc2Br)NC(=O)Cc3ccc(cc3)OC	5RF	(2~{s})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{n}-[(1~{s})-1-phenylethyl]propanamide
+c1cc(c(cc1F)C(=O)O)N	5RG	2-amino-5-fluorobenzoic acid
+C[C@@H]1CCC[C@H](/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)Cc4ccccc4)C)O)O	5RH	cytochalasin b
+CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC	5RI	n-methyl-2-[[4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]benzamide
+CN1CCc2cccc-3c2C1Cc4c3c(c(cc4)O)O	5RL	6-methyl-5,6,6~{a},7-tetrahydro-4~{h}-dibenzo[de,g]quinoline-10,11-diol
+CCCOc1cc(ccc1OC)[C@@]2(CNC(=O)O2)C	5RM	(5r)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one
+CC(=O)c1c[nH]c2c1cccc2	5RN	1-(1~{h}-indol-3-yl)ethanone
+Cc1cccc2c1[nH]cc2C(=O)C	5RO	1-(7-methyl-1~{h}-indol-3-yl)ethanone
+C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O	5RP	ribulose-5-phosphate
+CCCC[C@@H]1CCCN1C(=O)[C@H]2CCC[C@H](C2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5	5RQ	1-[3-[(1~{r},3~{s})-3-[(2~{r})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid
+CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@]4(C[C@H]4CC)C(=O)NS(=O)(=O)C5CC5	5RS	~{tert}-butyl ~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[(1~{r},2~{r})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+Cn1ccc2c1cccc2S(=O)(=O)N(CC(F)(F)F)c3ccc4c(c3)CCCN4C(=O)c5cccs5	5RT	1-methyl-~{n}-(1-thiophen-2-ylcarbonyl-3,4-dihydro-2~{h}-quinolin-6-yl)-~{n}-[2,2,2-tris(fluoranyl)ethyl]indole-4-sulfonamide
+c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)F	5RU	2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one
+c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)N=C(N3)N)C#N	5RV	2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile
+c1cc(ccc1CSc2[nH]c3c(n2)N=C(NC3=O)N)F	5RW	2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one
+c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Cl	5RX	2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one
+c1cc(c(cc1C#N)F)CSc2[nH]c3c(n2)C(=O)NC(=N3)N	5RY	4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile
+c1cc(ccc1C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Br	5RZ	2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one
+CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)N	5S4	[(3~{r})-4-[[3-[2-[[(2~{s})-2-azanyl-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
+Cc1cc(c(cc1OC)C)CNC[C@H](c2ccccc2)NC(=O)c3cc(on3)C	5S5	~{n}-[(1~{s})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide
+Cc1cc(c(cc1OC)C)CNC[C@H](c2ccc(cc2)C#CCO)NC(=O)c3cc(on3)C	5S6	~{n}-[(1~{s})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
+CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)N)O)O	5S7	(2~{r},3~{r},4~{s},5~{s})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
+Cc1c(sc(n1)NC(=O)C2CCCC2)c3ccc(c(c3)S(Nc4ccc(cc4)O)(O)O)OC	5S8	~{n}-[5-[3-[[(4-hydroxyphenyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-4-methoxy-phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
+Cn1c(ccn1)C(=O)Nc2ccc(cc2F)F	5S9	~{n}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO	5SA	acarbose derived pentasaccharide
+CC(=O)Nc1ccc(c2c1nccc2)c3c[nH]nc3	5SB	~{n}-[5-(1~{h}-pyrazol-4-yl)quinolin-8-yl]ethanamide
+Cc1ccccc1c2cc(n3c(n2)c(cn3)Br)NCc4ccc[n+](c4)[O-]	5SC	3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide
+C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	5SD	5alpha-androstan-3,17-dione
+C[Se]C1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	5SE	2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate)
+CC(C)NCCN(c1ccc2c(c1)nc(cn2)c3cnn(c3)C)c4cc(cc(c4)OC)OC	5SF	~{n}'-(3,5-dimethoxyphenyl)-~{n}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{n}-propan-2-yl-ethane-1,2-diamine
+c1cc2cnccc2c(c1)O	5SG	isoquinolin-5-ol
+c1ccc(cc1)c2ccncc2	5SH	4-phenylpyridine
+Cc1ccc2c(c1)C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O	5SI	2-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-6-methylisoquinoline-1(2h)-thione
+CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](N2)C	5SJ	ethyl (2~{r})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{h}-quinoxaline-6-carboxylate
+CC[C@@H](C)Nc1c2nnc(n2c3ccccc3n1)C	5SK	~{n}-[(2~{r})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
+Cc1ccc(cc1)Cc2nc(on2)[C@H]3CC[C@@H](C3)Nc4c5cn[nH]c5ncn4	5SL	~{n}-[(1~{s},3~{s})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{h}-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1nccn1Cc2cc(cnn2)c3ccc(c(c3)C(F)F)F	5SM	5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine
+Cc1cc2nnc(n2c3c1cccc3)C	5SN	1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@H]4[C@@H]([C@H]([C@H]5[C@H](O4)COC(O5)(C)C)O)O)C(C)C)C)COC	5SO	fusicoccin a-thf derivative
+C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O	5SP	5-o-phosphono-d-xylulose
+c1cc(ccc1C=C2C(=O)N(C(=N2)[C@H](Cc3c[nH]cn3)N)CC(=O)O)O	5SQ	2-[2-[(1s)-1-azanyl-2-(1h-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)O)CCOP(=O)(O)OP(=O)(O)[O-]	5SR	[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-carboxy-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate
+c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)c(n[nH]4)O)NC(=O)C5CCC(CC5)CN	5SS	4-(aminomethyl)-~{n}-[(1~{s})-1-[4-(3-oxidanyl-1~{h}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide
+COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)C4CCC(CC4)CN	5ST	methyl ~{n}-[4-[2-[(1~{s})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
+COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	5SU	methyl ~{n}-[4-[2-[(1~{s})-1-[[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
+CCCCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	5SV	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl icosyl hydrogen phosphate
+CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC	5SW	4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one
+CC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)OCC2=Cc3ccccc3OC2=O	5SY	[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate
+Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)N4C=Cc5c(cccn5)C4=O)F	5SZ	6-[(1~{r})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
+CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3	5T0	3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one
+C[C@H](c1nnc2n1cc(cc2F)c3cnn(c3)C)N4C=Cc5c(cc(cn5)OCCOC)C4=O	5T1	6-[(1~{r})-1-[8-fluoranyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one
+c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3	5T2	2-(pyridin-4-ylmethylamino)-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CCN(CCCC[C@@H](C(=O)O)N)C(C)C	5T3	n~6~-ethyl-n~6~-propan-2-yl-l-lysine
+c1cnc(nc1)N2CCC(CC2)CNC(=O)N3CCCC3	5T4	~{n}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
+c1cc(ccc1[C@]2(COC(=N2)N)[C@@H]3C[C@H]3C(=O)c4cc(cnc4)Cl)OC(F)F	5T5	[(1~{r},2~{r})-2-[(4~{s})-2-azanyl-4-[4-[bis(fluoranyl)methoxy]phenyl]-5~{h}-1,3-oxazol-4-yl]cyclopropyl]-(5-chloranylpyridin-3-yl)methanone
+Cc1cc(ccc1OC(F)F)[C@]2(COC(=N2)N)c3cccc(c3)c4cc(cnc4)Cl	5T6	(4~{s})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{h}-1,3-oxazol-2-amine
+C[C@]1(C(COC(=N1)N)(F)F)[C@@H]2C[C@H]2C(=O)Nc3cccc4c3ncc(c4)Cl	5T7	(1~{r},2~{r})-2-[(4~{r})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{h}-1,3-oxazin-4-yl]-~{n}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide
+C[C@]1(COCC(=N1)N)c2cccc(c2)Nc3cccc4c3ncc(c4)Cl	5T8	(5~{r})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
+[H]/N=C\C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CNC3)c4ccc(cn4)Cl)S(c5ccc(cc5Cl)OC)(O)O	5T9	(2~{s},4~{r})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{n}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+c1cc(cc(c1)OC[C@@H]2CN(C(=O)O2)c3cccc(c3)C#Cc4cccnc4Cl)CN	5TA	(5~{s})-5-[[3-(aminomethyl)phenoxy]methyl]-3-[3-[2-(2-chloranylpyridin-3-yl)ethynyl]phenyl]-1,3-oxazolidin-2-one
+CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3	5TB	3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one
+c1cc(ccc1CNC(=O)CCC2CCN(CC2)c3ccc(cc3)C#N)N4CCCCC4	5TC	3-[1-(4-cyanophenyl)piperidin-4-yl]-~{n}-[(4-piperidin-1-ylphenyl)methyl]propanamide
+c1cc(ccc1C#N)N2CCC(CC2)CCC(=O)N3CCCC3	5TD	4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile
+c1cc(cc(c1)N2CCCCC2)NC(=O)CCC3CCCC3	5TE	3-cyclopentyl-~{n}-(3-piperidin-1-ylphenyl)propanamide
+C[C@@H](c1c[nH]c2c1cccn2)c3nnc4n3nc(cc4)NC(C)C	5TF	(s)-3-(1-(1h-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-n-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine
+CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3	5TG	~{tert}-butyl ~{n}-methyl-~{n}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)OSO)O	5TH	[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate
+COc1ccc(cc1)C=CC=C2C(=O)NC(=O)NC2=O	5TI	5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)OS(=O)(=O)O)OSO)O	5TJ	[(2r,3r,4r,5r,6s)-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OSO)O	5TK	(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol
+c1ccc(cc1)c2cc(c(c(c2)C(=O)N)N)c3ccc(cc3)S(=O)(=O)N	5TL	2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OSO)O)O	5TM	[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate
+CCCOc1cc2c(cc1c3cc(ccc3O)\C=C\C(=O)O)C(CCC2(C)C)(C)C	5TN	(2e)-3-[4-hydroxy-3-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acid
+C1CCC(C1)CCC(=O)N2CCCC2	5TO	3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one
+c1csc(n1)C(=O)CC[C@H]2CCCCN2	5TP	3-[(2r)-piperidin-2-yl]-1-(1,3-thiazol-2-yl)propan-1-one
+c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)CCCC(=O)O	5TQ	4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C	5TR	[(2~{e},6~{e},10~{e},14~{e},18~{z},22~{e},26~{z},30~{e},34~{e},38~{e})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate
+c1cc(sc1c2ccno2)S(=O)(=O)O	5TS	5-(1,2-oxazol-5-yl)thiophene-2-sulfonic acid
+CNCc1ccc(cc1)N2CCCCC2	5TT	~{n}-methyl-1-(4-piperidin-1-ylphenyl)methanamine
+CC1=CC(=CN(C1=O)C)c2ccc(cc2)C(=O)N	5TU	4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O	5TW	3-oxo-23,24-bisnorchol-4-en-22-oyl-coa
+C[C@@]1(C[C@@H](N(C1=O)O)O)P(=O)(O)O	5TX	((3s,5s)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid
+CN1C=Cc2c(cnc(n2)N(C)C)C1=O	5TY	2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one
+c1cnc(cc1C(=O)O)c2csc(n2)N	5TZ	2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
+CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)OC)N)/C)/C)C	5U0	s-farnesyl-l-cysteine methyl ester
+Cc1c[n+]2c([nH]c(n2)N)nc1OC(C)C	5U1	2-amino-6-methyl-5-(propan-2-yloxy)-3h-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
+CC1=CC(=CN(C1=O)C)c2cc(c(c(c2)OC)CN3CC(C3)O)OC	5U2	5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one
+C[C@@H](C(C)C)N1C=C(c2c(c(n[nH]2)N)C1=O)c3cc(n(n3)C)C(C)(C)O	5U3	3-azanyl-5-[(2~{s})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{h}-pyrazolo[4,3-c]pyridin-4-one
+Cc1ccccc1N2C=C(c3c(c(n[nH]3)N)C2=O)c4ccn(n4)C	5U4	3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{h}-pyrazolo[4,3-c]pyridin-4-one
+CCNC(=O)C#Cc1ccc\2c(c1)NC(=O)/C2=C(/c3ccccc3)\Nc4ccc(cc4)CN(C)C	5U5	3-[(3~{z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{h}-indol-6-yl]-~{n}-ethyl-prop-2-ynamide
+CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC	5U6	4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one
+Cc1cc(ccc1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3cc(cc(c3)C(=O)NC)C(=O)NC	5U7	5-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{n}1,~{n}3-dimethyl-benzene-1,3-dicarboxamide
+CN(CCc1cnn(c1)c2c3c(ccn2)C(=O)NC=N3)Cc4ccc(cc4)F	5U8	8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CC(=O)c1csc(n1)NC(=O)C2C[NH2+]C2	5U9	~{n}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COC(=O)O)O)N	5UA	5'-o-carboxy-2'-deoxyadenosine
+c1cnc(c2c1C(=O)NC=N2)c3cscn3	5UB	8-(1,3-thiazol-4-yl)-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C1=C(C(=O)NC(=O)N1)Cl	5UC	5-chloropyrimidine-2,4(1h,3h)-dione
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F	5UD	5-fluorouridine
+C[C@H](C(=O)Nc1nc(cs1)C(=O)C)[NH3+]	5UE	[(2~{r})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium
+CCCCCCC[C@@H](CC(=O)O)O	5UF	(3~{s})-3-oxidanyldecanoic acid
+CC(C)(COP(=O)(O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O	5UG	[(3~{s})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphono hydrogen phosphate
+COc1ccc(cc1c2ccccc2)CC(=O)O	5UH	2-(4-methoxy-3-phenyl-phenyl)ethanoic acid
+CC(C)Oc1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F	5UI	1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
+c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl	5UJ	8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O	5UK	2-imino,3-carboxy,5-oxo,6-hydroxy hexanoic acid 
+c1cc(ccc1CC2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl	5UL	8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1cc(sc1)CC(=O)Nc2ccc(cc2F)S(=O)(=O)N	5UM	n-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
+c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N	5UN	n-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
+c1cc(ccc1C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl	5UO	8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1cnc(cc1C(=O)N)c2csc(n2)N	5UP	2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide
+Cc1cc(ccc1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3cccc(c3)C(=O)NC	5US	3-[4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{n}-methyl-benzamide
+CC1(CC1)c2cc(c(cc2Cl)O)NCC(=O)N3CCN(CC3)C4CN(C4)C(=O)C=C	5UT	1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
+c1cc(ccc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)F	5UU	6-chloranyl-~{n}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine
+c1cc(c(cc1Nc2c3cc(ccc3nc4c2CCCC4)Cl)Cl)F	5UV	7-chloranyl-~{n}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine
+c1ccc(cc1)C(CCNC2CCNCC2)c3ccccc3	5UW	~{n}-(3,3-diphenylpropyl)piperidin-4-amine
+c1cc(c(cc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)Cl)F	5UX	6-chloranyl-~{n}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine
+COC(=O)c1cnc(cc1NC[C@H]2CNCCO2)Nc3cnc(cn3)C#N	5UY	methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{r})-morpholin-2-yl]methylamino]pyridine-3-carboxylate
+CCC[C@@H]1CCCCN1C(=O)c2cccc(c2F)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5	5UZ	5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{r})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid
+c1cc(oc1)CNCc2cc(ccn2)C(=O)O	5V0	2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid
+c1ccc(cc1)CNCc2cc(ccn2)C(=O)O	5V1	2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid
+CN1C=C(c2c(cc(s2)C(=N)NC3CCS(=O)(=O)CC3)C1=O)c4cccc(c4)C(F)(F)F	5V2	n-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
+c1ccc(cc1)CNCc2c3c(ccn2)C(=O)N=CN3	5V3	8-[[(phenylmethyl)amino]methyl]-1~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1ccc2c(c1)C[C@H]([C@@H]2O)O	5V4	(1~{r},2~{r})-2,3-dihydro-1~{h}-indene-1,2-diol
+COc1ccc(cc1c2cccs2)CC(=O)O	5V5	2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid
+COc1ccc(cc1c2ccsc2)CC(=O)O	5V6	2-(4-methoxy-3-thiophen-3-yl-phenyl)ethanoic acid
+c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N	5V7	8-(2-azanyl-1,3-thiazol-4-yl)-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CNC(=O)c1c2c(ccc(c2CN3CCCCC3)O)oc1c4ccc(cc4)O	5V8	2-(4-hydroxyphenyl)-~{n}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
+c1cc(nc(c1)Nc2nccs2)CC3(CCC(CC3)Oc4cccc(c4F)Cl)C(=O)O	5VC	4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid
+C[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(ccc(c4C3=O)O)O)[C@H]1C(=O)OC)O)O	5VD	methyl (1~{r},2~{r},4~{s})-2-methyl-2,4,5,7,10-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1~{h}-tetracene-1-carboxylate
+[H]/N=C(/N)\NC[C@H]1Cc2ccc(cc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC	5VE	~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
+[H]/N=C(/N)\NC[C@H]1Cc2cc(ccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CN(C)/C(=N\[H])/N	5VF	~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-5-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
+[H]/N=C(/N)\NC[C@H]1Cc2cc(ccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC	5VG	~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
+[H]/N=C(/N)\N(C)Cc1ccc2c(c1)[C@@H]([C@H](C2)CNC(=N)N)NC(=O)C(=O)Nc3ccc(c(c3)F)Cl	5VH	~{n}'-[(1~{r},2~{r})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{h}-inden-1-yl]-~{n}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
+CCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCC=C	5VI	(2s)-2-azanyl-3-[[(2s)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid
+c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2	5VJ	6~{h}-benzo[c][1,2]benzothiazine 5,5-dioxide
+CCOC(=O)CCc1ccc(c(c1)O)c2ccccc2O	5VK	ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate
+c1ccc(c(c1)c2ccccc2O)O	5VL	2-(2-hydroxyphenyl)phenol
+c1cc2c(cc1Cl)NC(=S)O2	5VM	5-chloranyl-3~{h}-1,3-benzoxazole-2-thione
+C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)CO)O	5VN	caulophyllogenin
+c1ccc(cc1)C(=O)CCCCC(=O)O	5VO	6-oxidanylidene-6-phenyl-hexanoic acid
+C=CCO	5VQ	2-propen-1-ol
+CC(=O)NNC(=O)[C@@H]1CC[C@H](CN1C=O)NOS(=O)(=O)O	5VR	[[(3~{r},6~{s})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
+CC1(NC(=O)c2ccc(cc2N1Cc3ccccc3)N4c5cccnc5NC4=O)C	5VS	2,2-dimethyl-7-(2-oxidanylidene-3~{h}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{h}-quinazolin-4-one
+COc1ccc(cc1)CCNC(=O)[C@@H]2CCCN2C(=O)NCc3cccc4c3cccc4	5VT	(2~{s})-~{n}2-[2-(4-methoxyphenyl)ethyl]-~{n}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide
+c1cc(c(cc1F)F)NC(=O)N2CCCC2	5VU	n-(2,4-difluorophenyl)pyrrolidine-1-carboxamide
+C([C@@H](C=O)NC(=O)O)C(=O)N	5VV	n-carbamoyl-l-asparagine
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NO[C@H]2CCNC2	5VW	[[(3~{r},6~{s})-1-methanoyl-6-[[(3~{s})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate
+CN(C)C(=O)c1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F	5VX	1-[6-[3-(dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
+Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C	5VY	2-methyl-~{n}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(cc3)N4CCN(CC4)C	5VZ	~{n}-[2-chloranyl-5-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
+Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(c(c3)F)N4CCN(CC4)C	5W0	~{n}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)N4CCN(CC4)C	5W1	~{n}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C	5W2	4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{n}-(1-methylpiperidin-4-yl)benzamide
+Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NCCO)OC	5W3	~{n}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethy l]ethanamide
+Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C3=O)C)c4ccccc4	5W4	(3~{s})-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-phenyl-3~{h}-isoindol-1-one
+COC(=O)c1ccccc1CNC(=O)N2CCC[C@H]2C(=O)Nc3cccc(c3)OC(F)(F)F	5W5	methyl 2-[[[(2~{s})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate
+Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)N4CCC(CC4)CO)OC	5W6	~{n}-[2-[[6-chloranyl-3-[3-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide
+Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NC4CCC(CC4)N)OC	5W7	~{n}-[2-[[3-[3-[(4-azanylcyclohexyl)sulfamoyl]-4-methoxy-phenyl]-6-chloranyl-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide
+CC[C@H](CO)NS(=O)(=O)c1cc(ccc1OC)c2c(nc3n2nc(cc3NCCNC(=O)C)Cl)C	5W8	~{n}-[2-[[6-chloranyl-3-[4-methoxy-3-[[(2~{r})-1-oxidanylbutan-2-yl]sulfamoyl]phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide
+Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)N4CCOCC4)OC	5W9	~{n}-[2-[[6-chloranyl-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide
+Cc1c(c(nc(n1)N)N)C#C[C@@H](c2cc(c(c(c2)OC)OC)OC)O	5WA	(1r)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol
+Cc1c(c(nc(n1)N)N)C#C[C@H](c2cc(c(c(c2)OC)OC)OC)OC	5WB	5-[(3s)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
+C[C@H](c1cccc(c1F)Cl)NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn4c5cnccc5c(n4)C(=O)N	5WC	1-[2-[(1~{r},3~{s},5~{r})-3-[[(1~{r})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide
+c1cc(cc(c1)C(=O)O)COc2ccc3c(c2)cc([nH]3)C(=O)N	5WD	3-[(2-aminocarbonyl-1~{h}-indol-5-yl)oxymethyl]benzoic acid
+CN(C)CCCC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5	5WE	4-[8-azanyl-3-[(2~{s})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{n}-(1,3-thiazol-2-yl)benzamide
+CC1(COC1)C(=O)N2CCC[C@H](C2)c3nc(c4n3ccnc4N)c5ccc(cc5)C(=O)Nc6cc(ccn6)C(F)(F)F	5WF	4-[8-azanyl-3-[(3~{r})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{n}-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+C[C@H]1CC[C@H](CN1C(=O)C2CC2)c3nc(c4n3ccnc4N)c5ccc(cc5F)C(=O)Nc6cc(ccn6)C(F)(F)F	5WH	4-[8-azanyl-3-[(3~{r},6~{s})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{n}-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCC4	5WJ	~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+c1ccc(c(c1)c2cc([nH]n2)C(C(F)F)(F)F)O	5WK	2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{h}-pyrazol-3-yl]phenol
+CS(=O)(=O)NC(=O)c1c(c2ccc(cc2[nH]1)Cl)CCCOc3cccc4c3cccc4	5WL	6-chloranyl-~{n}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxamide
+c1ccc2c(c1)C(=CS2(=O)=O)CNS(=O)(=O)N	5WM	1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene
+c1ccc2c(c1)c(cs2)CNS(=O)(=O)N	5WN	3-[(sulfamoylamino)methyl]-1-benzothiophene
+c1ccn(c1)c2cccc(c2)c3cccc(c3)C(=O)Nc4c5c(nc[nH]5)ncn4	5WO	~{n}-(7~{h}-purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide
+CCOc1c(c(c2c3c1[C@@H](O/C=C/[C@@H]([C@H]([C@H]([C@H]([C@@H]([C@H]([C@H]([C@@H](/C=C/C[C@@H](C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)OP(=O)(O)O)C)O)C)O[C@@H](C)O)C)OC)O)O)C	5WP	rifampin-phosphate
+CCOc1c(c(c2c3c1[C@@H](O/C=C\[C@H]([C@H]([C@H]([C@H]([C@@H]([C@H](C(=O)[C@@H](/C=C/C[C@@H](C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)C)O)C)OC(=O)C)C)OC)O)O)C	5WQ	rifampin
+C[C@@H]1CN(Cc2c1ccc(c2)C(=O)Nc3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5	5WR	(4~{s})-4-methyl-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{h}-isoquinoline-7-carboxamide
+CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C	5WS	~{n}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide
+CC1=CC(=O)N(c2c1ccc(c2)NC(=O)C)C	5WT	~{n}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)ethanamide
+Cc1c2c(n(n1)CCO)CCCC2=O	5WU	1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{h}-indazol-4-one
+CN1Cc2ccccc2C1=O	5WV	2-methyl-3~{h}-isoindol-1-one
+COc1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2	5WW	5-amino-3-(4-methoxyphenyl)isoquinolin-1(2h)-one
+COc1cccc2c1c(no2)N	5WX	4-methoxy-1,2-benzoxazol-3-amine
+c1cc(c2c(c1)OCCO2)C(=O)N	5WY	2,3-dihydro-1,4-benzodioxine-5-carboxamide
+C1CC1C(=O)N2CCC(CC2)N	5WZ	(4-azanylpiperidin-1-yl)-cyclopropyl-methanone
+C/C(=C\c1ccccc1)/C[C@@H]2C(=O)N(C(=S)S2)NS(=O)(=O)c3ccccc3	5X	5r-(2e-methyl-3-phenyl-allyl)-3-(benzenesulfonylamino)-4-oxo-2-thionothiazolidine
+CNC(=O)c1cc(ccc1OC2CCOCC2)OCC(=O)Nc3ccccc3	5X0	~{n}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide
+C[C@H]1CN(Cc2c1ccc(c2)NC(=O)c3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5	5X1	3-[(4-methylpiperazin-1-yl)methyl]-~{n}-[(4~{r})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{h}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3[nH]c2C(=O)NS(=O)(=O)c4ccccc4	5X2	3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{n}-(phenylsulfonyl)-1~{h}-indole-2-carboxamide
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)NS(=O)(=O)c4ccc(o4)C(=O)O)c5c([nH]nc5C)C)Cl	5X3	5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{h}-pyrazol-4-yl)-1~{h}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid
+CCC(=O)N1CCCC[C@H](C1)n2c3c(cccc3nc2NC(=O)c4cccc(c4)C(F)(F)F)C	5X4	~{n}-[7-methyl-1-[(3~{r})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC[C@@H](C(=O)O)N)O)O)N	5X8	s-adenosyl-l-cysteine
+Cn1cc(nn1)[C@@H]2C[C@H]2c3c(cnn3c4cccc(c4)c5cccc(c5)C(=O)N(C)C)C(=O)O	5X9	1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-5-[(1~{r},2~{r})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid
+C(CCN)CC(=O)NO	5XA	5-amino-n-hydroxypentanamide
+C1[C@H](N[C@H](S1)C(=O)O)C(=O)O	5XB	(2~{r},4~{r})-1,3-thiazolidine-2,4-dicarboxylic acid
+c1cc2c(cc1C=O)OCO2	5XC	1,3-benzodioxole-5-carbaldehyde
+CCc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C	5XD	4-ethyl-~{n}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide
+Cc1cc(ccc1S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C)Br	5XE	4-bromanyl-~{n}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide
+CN1c2cc(c(cc2N(C1=O)C)N3CCCC3)NC(=O)c4ccccc4OC	5XF	~{n}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide
+c1cc2c(cc1c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl)n[nH]c2N	5XG	8-[3-(3-azanyl-2~{h}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
+Cc1cccc2c1n(c(n2)NC(=O)c3ccnc(c3)C)[C@@H]4CCCCN(C4)C(=O)C=CCN(C)C	5XH	~{n}-[1-[(3~{r})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide
+CN(C)S(=O)(=O)Nc1ccc(c(c1F)Nc2c(cccn2)c3c4c(nc[nH]4)ncn3)F	5XJ	6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{h}-purine
+CCC(CC)Cc1ccn-2c1NC(=O)c3c2cccc3Cl	5XK	6-chloranyl-3-(2-ethylbutyl)-4~{h}-pyrrolo[1,2-a]quinazolin-5-one
+CN(C)Cc1ccn-2c1NC(=O)c3c2cccc3Cl	5XL	6-chloranyl-3-[(dimethylamino)methyl]-4~{h}-pyrrolo[1,2-a]quinazolin-5-one
+c1ccc2c(c1)C(=O)N=C3N2CC[C@@H]3CN4CCCCC4	5XM	(3~{r})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{h}-pyrrolo[1,2-a]quinazolin-5-one
+c1cc(cc(c1)Cl)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)[NH3+]	5XN	(1s)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2h-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium
+Cc1cccc(c1)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)N	5XO	(s)-2-amino-3-(5-(2-(3-methylbenzyl)-2h-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid
+c1cc(cc(c1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N)CN	5XP	(2~{s})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid
+Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccccc3OC	5XQ	~{n}-[5-[2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
+C(C=O)[C@@H](N[C@@](CC(=O)O)(C(=O)O)O)O	5XR	2-hydroxy-n-[(1s)-1-hydroxy-3-oxopropyl]-l-aspartic acid
+COC(=O)c1cccc(c1)C(=O)Nc2c3c(nc[nH]3)ncn2	5XS	methyl 3-(7~{h}-purin-6-ylcarbamoyl)benzoate
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3ccc(c(c3)O)O	5XT	~{n}-[3,4-bis(oxidanyl)phenyl]-4-phenyl-benzenesulfonamide
+C[C@@H](C=O)N	5XU	(2~{s})-2-azanylpropanal
+C[C@@H](C(F)(F)F)Oc1c(ncc(n1)c2ccc3nc(cn3c2)NC(=O)C)N	5XV	~{n}-[6-[5-azanyl-6-[(2~{s})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]ethanamide
+C(C=O)C(/N=C(/CC(=O)O)\C(=O)O)O	5XW	(2~{z})-2-(1-oxidanyl-3-oxidanylidene-propyl)iminobutanedioic acid
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5	5XX	2-phenyl-~{n}-[5-[[(3~{r})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5	5XY	2-phenyl-~{n}-[5-[[(3~{s})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@@H](C3)Oc4nnc(s4)NC(=O)Cc5ccccc5	5XZ	2-phenyl-~{n}-[5-[(3~{s})-3-[[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanamide
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@H](CO)O	5Y0	n-[(2s)-2,3-bis(oxidanyl)propoxy]-3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide
+Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	5Y2	~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide
+CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	5Y3	~{n}-[2-[2-azanylethyl(methyl)amino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide
+CC(=O)Nc1cc(ccc1N(C)CCN(C)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	5Y4	~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethanamide
+Cc1cc(n2c(n1)nc(n2)C(C)(F)F)N[C@H]3CCc4ccc(cc4C3)Br	5Y5	2-[1,1-bis(fluoranyl)ethyl]-~{n}-[(2~{s})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CC4)CNC(=O)O5)Cl	5Y6	8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{h}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
+CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CCCN5CCOC)CC4)Cl	5Y7	5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{h}-2,1-benzothiazole 2,2-dioxide
+Cn1c2ccc(cc2cn1)c3cnc(c(c3N4CCC5(CCNC5=O)CC4)Cl)N	5Y8	8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
+CC(=O)N(C)C	5Y9	~{n},~{n}-dimethylethanamide
+c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO	5YA	4-naphthalen-1-yl-~{n}-oxidanyl-benzamide
+[H]/N=C(/c1ccc(cc1)C(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)\N	5YB	n-(4-carbamimidoylbenzoyl)-beta-alanyl-l-alpha-aspartyl-l-phenylalanine
+CCN(CC1=CC(=O)N2C(=N1)SC(=N2)C)c3ccccc3	5YC	7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
+c1cc(cnc1)CNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(cc3)F	5YD	4-[[(4-fluorophenyl)sulfonylamino]methyl]-~{n}-(pyridin-3-ylmethyl)benzamide
+CCN(CC1=CC(=O)N2C3=C(CCC3)SC2=N1)c4ccc(cc4)F	5YE	6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{h}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one
+CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@H]4C[C@@H]4CO	5YF	7-[(4-fluoranylphenoxy)methyl]-3-[(1~{s},2~{s})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
+CCC(CC)(CS[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O	5YI	(1r,2z,3r,5e,7e)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol
+Cc1c(cc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl	5YJ	6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+C(CCC1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O	5YL	5-(6-d-ribitylamino-2,4(1h,3h)pyrimidinedione-5-yl) pentyl-1-phosphonic acid
+c1c(cc(c(c1Cl)Cl)Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3	5YN	6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+c1cc(cnc1)CNc2nccc(n2)c3cc(ccn3)C(=O)O	5YQ	2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid
+CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4ccsc4	5YU	n-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)NC(=O)C#Cc4ccccc4	5YW	n-[[5-(3-phenylprop-2-ynoylamino)-2-propoxy-phenyl]methyl]-4-pyrimidin-2-yl-benzamide
+CC(C)(C)c1nc(c(s1)c2ccnc(n2)CCS(=O)(=O)C)c3cccc(c3F)NS(=O)(=O)c4cc(ccc4F)F	5YX	n-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide
+CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5ccc(cc5)N=[N+]=N	5YY	ethyl 2-(2-(4-azido-n-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate
+CC1=CC(=CN(C1=O)C)c2nc3ccc(cc3n2CC4CCOCC4)N(C)CCOCCOCCN(CC(=O)NCCOCCOCC#C)C(=O)c5ccc(cc5)C(=O)c6ccccc6	5Z1	4-benzoyl-n-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-n-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)C(F)(F)F)Cl	5Z3	6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1h,3h)-dione
+CCOC(=O)CNC(=O)CN(Cc1ccc2c(c1)n(c(n2)C3=CN(C(=O)C(=C3)C)C)CC4CCOCC4)C(=O)c5c(c(c(c(c5F)F)N=[N+]=N)F)F	5Z4	ethyl 2-(2-(4-azido-n-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2h-pyran-4-yl)methyl)-1h-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate
+Cc1c([nH]c(c1C(=O)NC)C)\C=C/2\c3cc(ccc3NC2=O)Cl	5Z5	5-[(z)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n-(diethylamino)ethyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Br	5Z7	6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+c1cc2c(c(c1)[N+](=O)[O-])non2	5Z8	4-nitro-2,1,3-benzoxadiazole
+CC[C@](C)(C#N)O	5Z9	(2r)-2-methyl-2-oxidanyl-butanenitrile
+C[C@H]([C@@H](C1=N/C(=C\c2c[nH]c3c2c(ccc3)N)/C(=O)N1CC(=O)O)N)O	5ZA	(5z)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-5-[(4-amino-1h-indol-3-yl)methylene]-3-(2-hydroxyethyl)-3,5-dihydro-4h-imidazol-4-one
+C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)n4cccc4)C(=O)C	5ZB	(2r)-2-{acetyl[4-(1h-pyrrol-1-yl)phenyl]amino}-n-[(1s)-1-phenylethyl]-2-(pyridin-3-yl)acetamide
+Cc1cc(nc(n1)N)C	5ZE	4,6-dimethylpyrimidin-2-amine
+C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)CCl	5ZF	n-([1,1'-biphenyl]-4-yl)-2-chloro-n-[(1r)-2-oxo-2-{[(1s)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide
+c1ccc2c(c1)C(=O)NC(=N2)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5	5ZI	4-[3-(4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-n-(quinolin-8-yl)benzamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)C(F)(F)F	5ZJ	6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1h,3h)-dione
+Cc1c2c(c(ncn2)NC)[nH]n1	5ZK	~{n},3-dimethyl-1~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+c1c[n+](c(nc1OP(=O)(O)O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	5ZL	[[(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(2-oxidanyl-4-phosphonooxy-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CC1(c2cc(ccc2NC1=O)c3ccc(cc3)F)C	5ZM	5-(4-fluorophenyl)-3,3-dimethyl-indolin-2-one
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)C=O	5ZN	2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde
+COc1ccc(cc1)/C=C(\CC(=O)O)/c2nc3ccccc3s2	5ZO	(~{e})-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoic acid
+Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)c5nnc(o5)[C@@H](CC(=O)N[C@H](C)c6ccccc6)C(C)C	5ZP	(3~{s})-3-[5-(8-cyclopropyl-2-methyl-9~{h}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{n}-[(1~{r})-1-phenylethyl]pentanamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=NC(=O)NC(=O)C3)Cl)CO	5ZT	6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3h,5h)-dione
+c1cc(ccc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl	5ZW	6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+C[C@]1(N[C@@H](C(S1)(C)C)C(=O)O)C(=O)O	5ZZ	(2~{r},4~{r})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid
+CC(C)C[C@@H](c1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6)OC	600	6-[4-((2s)-2-(1h-1,2,3-benzotriazol-1-yl)-3-{4-[difluoro(phosphono)methyl]phenyl}-2-phenylpropyl)phenyl]-2-[(1s)-1-methoxy-3-methylbutyl]quinolin-8-ylphosphonic acid
+CN(C)c1ccc(cc1)C(=O)NN	601	4-(dimethylamino)benzohydrazide
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)C2CNC2	602	[[(3~{r},6~{s})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
+c1ccc(cc1)c2cccc(c2)C(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3O)CNS(=O)(=O)c4ccc(cc4)C#N)O)O	603	~{n}-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide
+Cc1c(cc(o1)S(=O)(=O)NC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)c3cccc(c3)Br)O)O)C(=O)O	604	2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-d-glucopyranos  e
+c1cc(cc(c1)C(=O)N)c2ccc(cc2)[C@@H](Cc3cc(ccc3F)F)N	605	4'-[(1r)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide
+[H]/N=C(/N)\Nc1cccc(c1)[C@H](C[P@](=O)(CCCc2ccccc2)O)C(=O)O	606	(2s)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-[(s)-hydroxy(3-phenylpropyl)phosphoryl]propanoic acid
+c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-])N	607	2-(2'-amino-5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-oxido-1,1'-biphenyl-3-yl)succinate
+c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4	608	n-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide
+c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O	609	7-oxo-7h-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid
+C[C@H](COCCO)OCO	60A	2-[(2~{r})-2-(hydroxymethyloxy)propoxy]ethanol
+Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5	60B	~{n}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
+c12c3c4c5c1c6c7c8c2c9c1c3c2c3c4c4c%10c5c5c6c6c7c7c%11c8c9c8c9c1c2c1c2c3c4c3c4c%10c5c5c6c6c7c7c%11c8c8c9c1c1c2c3c2c4c5c6c3c7c8c1c23	60C	(c_{60}-i_{h})[5,6]fullerene
+CC(C)n1cc(c2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5)C(=O)NC6CCOCC6	60D	6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{n}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide
+CC[C@H](C)n1c2cc(ncc2c(n1)N3CC(C3)C(C)(C)O)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6	60E	2-[1-[1-[(2~{s})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol
+c1cc(ccc1/C=C/C(=O)SC[C@@H](C(=O)O)N)O	60F	(2~{r})-2-azanyl-3-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid
+COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC	60G	methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate
+c1ccc(cc1)C(c2ccccc2)[C@@H]3CCCN3	60H	(2~{s})-2-(diphenylmethyl)pyrrolidine
+Cc1c(c(n(n1)C)C)C(=O)N2CCN(CC2)Cc3nc4ccccc4n3CC(C)(C)C	60I	[4-[[3-(2,2-dimethylpropyl)-1~{h}-benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
+c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)O)S(=O)(=O)N	60K	(3z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxylic acid
+CNCc1cccc(c1)c2cccs2	60L	~{n}-methyl-1-(3-thiophen-2-ylphenyl)methanamine
+c1cc(nc(c1)C(=O)O)CP(=O)(O)O	60M	6-(phosphonomethyl)pyridine-2-carboxylic acid
+c1cc(nc(c1)C(=O)O)[C@@H](O)P(=O)(O)O	60N	6-[(~{s})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid
+c1cc(cc(c1)OC[C@H]2CCCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	60O	7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-[[(2~{r})-oxan-2-yl]methoxy]phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
+Cc1ccsc1C(=O)O	60P	3-methylthiophene-2-carboxylic acid
+c1ccc(c(c1)C(=O)O)n2cccc2	60Q	2-pyrrol-1-ylbenzoic acid
+c1ccc\2c(c1)COc3cc(ccc3/C2=C/c4ccc5c(c4)NC(=O)CO5)F	60R	6-[(~{e})-(3-fluoranyl-6~{h}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{h}-1,4-benzoxazin-3-one
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)NC)F)C)c4ccc(s4)C#N	60S	5-{(2e,4ar,7ar)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4c(cccc4F)F	60T	(2e,4ar,7as)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OCC)F)C)c4ccc(s4)C#N	60U	5-[(2e,4ar,7ar)-6-(4-ethoxy-5-fluoro-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(s4)C#N	60V	5-[(2e,4ar,7ar)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(c(n3)OC)F)c4cc(cs4)c5cccc(c5)C#N	60W	3-{5-[(2e,4ar,7ar)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(cc4F)F	60X	(2e,4ar,7as)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(cn3)F)c4cc(cs4)c5cccc(c5)C#N	60Y	3-{5-[(2e,4ar,7ar)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
+CC[C@H](Cc1ccccc1)[C@@H]2/C=C/C/C=C/C[C@H]([C@@H]([C@H]([C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)C)O)C	60Z	(3r,4e,7e,10r,11s,12r,13s,16r,17r,24as)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2r)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3h-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21h)-trione
+c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4)O)O)O)O)[N+](=O)[O-]	610	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+c1cnccc1S[C@H]2[C@@H]([C@@H]([C@H](O2)/C=C/CNC(=O)c3cc(cc(c3O)O)[N+](=O)[O-])O)O	611	n-[(e)-3-[(2r,3s,4r,5s)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2CCCCC2	612	6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1h,3h)-dione
+[H]/N=C(\N)/N1CCN(CC1)c2ccc(cc2)Cl	613	4-(4-chlorophenyl)piperazine-1-carboximidamide
+Cc1cc([nH]n1)NC2=NN(C(=O)c3c2ccc(c3)CN4CCN(CC4)C)C5CCOCC5	614	7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1h-pyrazol-5-yl)amino]-2-(tetrahydro-2h-pyran-4-yl)phthalazin-1(2h)-one
+c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)CC5(C[C@@H]5C(=O)NO)C(=O)N	615	(1r,2s)-n~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide
+CC(C)[C@H](C=O)[C@H]1[C@@H](CCN1C(=O)\C=C\CN2CCCCC2)NS(=O)(=O)C	616	n-[2-(1-formyl-2-methyl-propyl)-1-(4-piperidin-1-yl-but-2-enoyl)-pyrrolidin-3-yl]-methanesulfonamide
+c1ccc(c(c1)C(=O)O)NC(=O)COc2ccc(cc2)Cl	617	2-{[(4-chlorophenoxy)acetyl]amino}benzoic acid
+Cc1cc(n(n1)c2ccccc2)NC(=O)[C@@H]3C(S[C@H]4N3C(=O)[C@@H](C=CC4)NC(=O)[C@H](C)NC)(C)C	618	(3r,6r,9ar)-2,2-dimethyl-6-[(n-methyl-l-alanyl)amino]-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)-5-oxo-2,3,5,6,9,9a-hexahydro[1,3]thiazolo[3,2-a]azepine-3-carboxamide
+CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	619	n-[(e)-3-[(2r,3s,4r,5r)-5-(6-ethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+c1ccc2c(c1)c3ccccc3n2CCN[Pt](N)(N)Cl	61C	platinum(4+) chloride azanide [2-(9h-carbazol-9-yl)ethyl]azanide (1:1:2:1)
+OI	61D	hypoiodous acid
+Cn1c2cc(c3c(c2c4c1cc(c(c4)O)OCCCN(C)C)C(=O)NC3=O)c5ccccc5Cl	61E	4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione
+CC(=C)C=C	61G	2-methylbuta-1,3-diene
+c1ccc2c(c1)ccc3c2ccc(c3)[C@H]4C[C@@H]([C@H](O4)COP(=O)O)O	61H	(1r)-1,4-anhydro-2-deoxy-5-o-[(s)-hydroxy(oxido)-lambda~5~-phosphanyl]-1-phenanthren-2-yl-d-erythro-pentitol
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CCOP(=O)O)O)O)O	61J	(6s)-2,6-anhydro-1-deoxy-6-(2-{[(s)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-d-galactitol
+c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)NCCc4c[nH]cn4)S(=O)(=O)N	61K	(3z)-n-[2-(1h-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxamide
+Cc1ccc(c(c1)Nc2c(cccc2SC)C)C(=O)O	61L	4-methyl-2-{[2-methyl-6-(methylsulfanyl)phenyl]amino}benzoic acid
+c1ccc(c(c1)C(=O)CC(=O)O)N	61M	3-(2-aminophenyl)-3-oxopropanoic acid
+c1cc2cc(ccc2c(c1)C(=O)O)O	61N	6-hydroxynaphthalene-1-carboxylic acid
+c1ccc(c(c1)c2cccnc2)C(=O)O	61O	2-(pyridin-3-yl)benzoic acid
+c1ccc2c(c1)cc([nH]2)CC(C(=O)NN=Cc3cccc(c3)/C=N/NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N)N	61P	2-amino-n'-{3-[(e)-{2-[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1h-indol-2-yl)propanehydrazide (non-preferred name)
+c1cc2c(cc(nc2c(c1)NC(=O)c3cc(c4cccc(c4n3)NC(=O)c5cc(c6cccc(c6n5)[N+](=O)[O-])OCCCN)OCCCN)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)O)OCCCN	61Q	4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-nitroquinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinoline-2-carboxylic acid
+CC(C)(C)OC(=O)[C@@H](CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N	61S	tert-butyl (2r)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl}amino)-4-phenylbutanoate
+c1cc(cc(c1)SC(F)(F)F)c2cc3nccc(n3n2)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N	61T	[(1~{r},2~{r},3~{s},4~{r})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate
+C[C@](c1ccc2cnc(cc2n1)Nc3cc(c(cc3F)C#N)N4CCOCC4)(C5CCN(CC5)C)O	61U	5-fluoranyl-4-[[2-[(1r)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile
+c1ccc(cc1)CN2CCC(CC2)NC(=O)c3ccc(cc3)I	61V	n-(1-benzylpiperidin-4-yl)-4-iodobenzamide
+CCCN1CCC=C(C1)c2cc(no2)c3ccc(cc3)C	61W	3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2h-pyridin-5-yl)-1,2-oxazole
+CS(=O)(=O)c1cccc(c1)Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F	61X	4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline
+CCc1cc(nc(n1)N)c2c[nH]c3c2cc(cn3)c4c[nH]nc4	61Y	4-ethyl-6-[5-(1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
+c1ccc(cc1)COc2cccc(c2)CNn3c(nnn3)N	620	n~1~-[3-(benzyloxy)benzyl]-1h-tetrazole-1,5-diamine
+CC(C)C[C@@H](C(=O)CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)C	621	n-acetylglycyl-n-[(3s)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-l-serinamide
+Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F	622	6-fluoro-n-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
+[H]/N=C(/c1cccc(c1)Oc2c(c(c(c([nH+]2)Oc3cccc(c3)/C(=N/[H])/N)F)C)F)\N	623	3,3'-[3,5-difluoro-4-methyl-2,6-pyridylenebis(oxy)]-bis(benzenecarboximidamide)
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)NC(C)C)c3ccc(c(c3)Cl)Cl	624	2-(2-(3,4-dichlorophenyl)-5-(isopropylamino)-6-oxopyrimidin-1(6h)-yl)-n-((s)-1-oxo-1-(thiazol-2-yl)-5-guanidinopentan-2-yl)acetamide
+c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)OCCCC#N)Cl	625	4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1h-pyrrol-2-yl}phenoxy)butanenitrile
+CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cn(cc4[nH]n3)C(=O)Cc5cccs5	626	4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1,5-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
+CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC	627	n-[(3e)-5-[(2r)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3(5h)-ylidene]-4-(4-methylpiperazin-1-yl)benzamide
+c1cc(c(c(c1)Cl)C(=O)c2ccc3nc(cn3c2)Nc4ccc(cc4)S(=O)(=O)N)Cl	628	4-{[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino}benzenesulfonamide
+c1cc(ccc1C[C@@H](C(=O)N[C@@H]([C@H]2[C@@H]([C@@]([C@H](C[N@@]2O)O)(CO)O)O)C(=O)O)N)O	629	[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-(1,3,4,5-tetrahydroxy-4-hydroxymethyl-piperidin-2-yl)- acetic acid
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)N)c3cccc(c3)C	62A	2-(5-amino-6-oxo-2-m-tolyl-6h-pyrimidin-1-yl)-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
+C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CS[C@@H]4CC[C@H](C[C@H]4O)N)C	62B	lefamulin
+c1cc(c(cc1/C=C/C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)Cl)Cl	62C	2-deoxy-2-{[(2e)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-d-glucopyranose
+CCNC1=Nc2cc3c(cc2C(=O)N1)nc([nH]3)NC	62D	6-(ethylamino)-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CCN1CCC(CC1)CCNC(=O)Nc2nc3ccc(cc3s2)Sc4nnc5n4nc(cc5)c6cccs6	62E	1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea
+Cc1cc2c(cc1C)N(c3c(nc(nc3O)O)N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O	62F	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[5-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7,8-dimethyl-2,4-bis(oxidanyl)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+Cc1c-2c(on1)[C@@H](N=C(c3c2cccc3)c4ccc(cc4)Cl)CC(=O)N	62G	cpi-0610
+C[C@@H](CN)C(=O)O	62H	(2s)-3-amino-2-methylpropanoic acid
+CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)O)O)O	62I	(6r)-1-o-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-l-glucitol
+CC(C)COC(=O)c1ccc2c(c1)/C(=N/Nc3ccc(cc3)S(=O)(=O)N)/C(=O)N2	62K	2-methylpropyl (3z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1h-indole-5-carboxylate
+Cc1ccc(c(c1)Nc2c(cccc2S(=O)(=O)C)C)C(=O)O	62L	4-methyl-2-{[2-methyl-6-(methylsulfonyl)phenyl]amino}benzoic acid
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N4CC[C@@H](C4)O	62M	[6-hydroxy-3-(3-methylbenzyl)-1h-indazol-5-yl][(3s)-3-hydroxypyrrolidin-1-yl]methanone
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F	62N	n-{[4-(trifluoromethyl)benzoyl]carbamoyl}-beta-d-glucopyranosylamine
+COc1ccc2c(c1)[nH]c(n2)c3ccn[nH]3	62O	6-methoxy-2-(1h-pyrazol-5-yl)-1h-benzimidazole
+Cc1c2cc(ccc2oc1S(=O)(=O)C3=NNC(=O)C=C3)Cl	62P	6-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3(2h)-one
+CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5ccc(cc5)C(F)(F)F	62Q	{4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2r,3s)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone
+CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCCC(=O)O)Oc5cc(sc5)C(F)(F)F	62R	4-[2-(4-{[(2r,3s)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cc(no2)c3ccccc3O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)O	62S	[(2~{s})-3-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid
+CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5cc(sc5)C(F)(F)F	62T	{4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2r,3s)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone
+C[C@H]1C[C@@H]([C@@H](C(C=C([C@H]([C@H](C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccco3)C)OC)OC(=O)N)C)C)O)OC	62U	(8s,9r,13r,14s,16r)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate
+Cc1c-2c(on1)CN=C(c3c2cccc3)c4ccc(cc4)Cl	62V	6-(4-chlorophenyl)-1-methyl-4h-[1,2]oxazolo[5,4-d][2]benzazepine
+C([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)O	62W	l-glucitol
+CN(C)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	62X	5'-{[(3s)-3-amino-3-carboxypropyl][3-(dimethylamino)propyl]amino}-5'-deoxyadenosine
+c1ccc(cc1)P(=O)(O)Oc2cccc(c2)Br	62Y	3-bromophenyl hydrogen (s)-phenylphosphonate
+CCC(=O)N1C[C@@H]([C@H](C1)OC)COc2c3c(c[nH]c3nc(n2)Nc4cnn(c4)C)Cl	630	1-{(3r,4r)-3-[({5-chloro-2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one
+CN(C)Cc1ccc(cc1)/C=C/c2c3ccc(cc3n[nH]2)[C@@H]4C[C@]45c6cc(ccc6NC5=O)OC	631	(1r,2s)-2-{3-[(e)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2h-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'h)-one
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=O)C(=CN=C2SC)NCc3ccccc3	632	2-(5-benzylamino-2-methylsulfanyl-6-oxo-6h-pyrimidin-1-yl)-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
+CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4ccc(cc4)N5CCN(CC5)C	633	n-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide
+CCC(=O)Nc1cccc(c1)Oc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C	634	n-[3-({2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide
+CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2ccc(c3)F)(C)C)C(=O)c4ccc(cc4)OCCCN5CCOCC5	635	1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
+Cc1ccc(c(c1)Nc2c(cccc2C(=O)O)C)C(=O)O	636	2-[(2-carboxy-5-methylphenyl)amino]-3-methylbenzoic acid
+Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	637	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O	638	[4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-diyl]bis(methylene)]bis[n-2-thiazolylbenzamide]
+Cc1cc2cc(ccc2c(c1Nc3ncnc(n3)Nc4ccc(cc4)C#N)C)C#N	639	6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile
+CCC(=O)N1C[C@@H]([C@H](C1)C(F)(F)F)COc2c3cc[nH]c3nc(n2)Nc4cnn(c4)C	63A	1-[(3r,4r)-3-[({2-[(1-methyl-1h-pyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrr olidin-1-yl]propan-1-one
+COC(=O)Nc1[nH]c2cc(ccc2n1)Sc3nnc4n3nc(cc4)c5ccc(cc5)F	63B	methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1h-benzimidazol-2-yl)carbamate
+CNC(=O)CN1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl	63C	(3r,4r)-1-methylcarbamoylmethyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+CCCCCCCCCCOc1cc(cc(c1)O)COc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl	63D	4-chloro-2-{[3-(decyloxy)-5-hydroxybenzyl]oxy}-5-sulfamoylbenzoic acid
+CCCCc1cc(nc(n1)N)c2c[nH]c3c2cccn3	63E	4-butyl-6-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
+c1cc(ccc1CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)C(=O)NC5CC5)OC(F)(F)F	63F	n-cyclopropyl-6-[(3r)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N[C@H](CCN4C2=O)O	63G	(6s)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N[C@@H](CCN4C2=O)O	63H	(6r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one
+C[C@](c1ccc2cnc(cc2n1)Nc3ccc(cc3F)n4cccn4)(C5CCN(CC5)C)O	63I	(1r)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
+c1ccnc(c1)CC(=O)Nc2nnc(s2)CCCCc3ccc(nn3)NC(=O)Cc4cccc(c4)OC(F)(F)F	63J	2-(pyridin-2-yl)-n-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide
+c1cc(ccc1c2ccc3nnc(n3n2)Sc4ccc5c(c4)sc(n5)NC(=O)NCCN6CCOCC6)F	63K	1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea
+CSc1c(c(n(n1)C(=O)N)N)C(=O)N	63L	5-amino-3-(methylsulfanyl)-1h-pyrazole-1,4-dicarboxamide
+CC(C)(C)NC(=O)c1cnn2c1nc(cc2)NS(=O)(=O)c3ccnn3C	63M	n-tert-butyl-5-{[(1-methyl-1h-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC(C)n1cnc2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5	63N	n-{2-[1-(cyclopropylsulfonyl)-1h-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-imidazo[4,5-c]pyridin-6-amine
+Cn1c(ccn1)C(=O)N[C@@H](Cc2ccccc2F)C(=O)Nc3ccc(cc3)CCNC(=O)CC4(CCCC4)CC(=O)N(C)C	63O	n-(4-{2-[({1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl}acetyl)amino]ethyl}phenyl)-2-fluoro-nalpha-[(1-methyl-1h-pyrazol-5-yl)carbonyl]-l-phenylalaninamide
+CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@H](Cc3cc(ccc3Cl)Oc4ccc(cc4)C5(CCCC5)CC(=O)N1)NC(=O)c6ccnn6C	63P	(9's,17'r)-6'-chloro-n-methyl-9'-{[(1-methyl-1h-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide
+CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@H](Cc3cc(ccc3Cl)-c4cccc(c4)CCC(=O)N1)NC(=O)c5ccnn5C	63Q	(4s,20r)-7-chloro-n-methyl-4-{[(1-methyl-1h-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide
+CC(=O)N(c1ccccc1)[C@@H]2CCCN(C2)C(=O)c3ccc(cc3)N4CCOCC4	63R	n-{(3r)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-n-phenylacetamide
+C1[C@@H]([C@H](OC1=O)COP(=O)(O)O)O	63T	[(2r,3s)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)
+CC1=C(N[C@@H](SC1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O	63U	(2s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C=C1CS[C@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2	63V	(2s)-5-methylidene-2-{(1r)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1c2c(nc(nc2sc1Sc3ccc(cc3)C(F)(F)F)N)N	63W	5-methyl-6-{[4-(trifluoromethyl)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine
+COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O	63X	mofezolac
+Cc1c2c(nc(nc2sc1Sc3ccc(c(c3F)F)F)N)N	63Y	5-methyl-6-[(2,3,4-trifluorophenyl)sulfanyl]thieno[2,3-d]pyrimidine-2,4-diamine
+CC(C)(C)c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O	640	(2e)-4-{n'-[4-(4-tert-butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid
+c1c(cc(cc1Cl)Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3	641	(3s)-1-cyclohexyl-n-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
+c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)[C@@H]5C[C@@]6(C[C@@H]6C(=O)O)C(=O)N5	642	(1s,3r,6s)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid
+Cc1cc(ccc1c2ccc3c(c2)n(cc3C(=O)O)C)OCc4c(noc4C(C)C)c5c(cncc5Cl)Cl	643	6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1h-indole-3-carbox ylic acid
+c1ccc(c(c1)C(=O)O)Nc2cccc(c2C(=O)O)Nc3ccccc3C(=O)O	644	2,6-bis[(2-carboxyphenyl)amino]benzoic acid
+CC(C)(C)n1c(c(c(n1)c2ccc(cc2Cl)Cl)C(=O)c3ccc(cc3Cl)S(=O)(=O)C)O	645	[1-tert-butyl-3-(2,4-dichlorophenyl)-5-hydroxy-1h-pyrazol-4-yl][2-chloro-4-(methylsulfonyl)phenyl]methanone
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl	646	2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+c1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F	647	5-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-n-[4-(trifluoromethyl)benzyl]pyridin-2-amine
+c1ccc(cc1)OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	649	5'-o-[(11-phenoxyundecanoyl)sulfamoyl]adenosine
+CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](C2)OC(C(=O)O)C(=O)O	64A	{[(1s,3r)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}propanedioic acid
+COc1ccc(c(c1)F)N\2C(=O)CS/C2=C(/C#N)\C(=O)OC	64B	methyl (2z)-cyano[3-(2-fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
+CCc1c-2c([nH]n1)OC(=O)c3c2cccc3	64C	1-ethylisochromeno[3,4-c]pyrazol-5(3h)-one
+c1cc(ccc1S(=O)(=O)NCC2CCN(CC2)C(=O)O)Cl	64D	4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid
+CCCc1c-2c([nH]n1)OC(=O)c3c2cccc3	64E	1-propylisochromeno[3,4-c]pyrazol-5(3h)-one
+CCCCc1c-2c([nH]n1)OC(=O)c3c2cccc3	64F	1-butylisochromeno[3,4-c]pyrazol-5(3h)-one
+c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F	64I	2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol
+Cc1c2c(nc(nc2sc1Sc3ccc(cc3)OC(F)(F)F)N)N	64J	5-methyl-6-{[4-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine
+C1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O	64K	alpha-d-arabinopyranose
+CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)NC(=O)CC(=O)O)Br	64L	kb2115
+COc1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F	64M	5-[(5-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]-n-[4-(trifluoromethyl)benzyl]pyridin-2-amine
+CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)C(=O)N)O)Cl	64N	5'-[2,6-dichloro-4-(propanoylamino)phenoxy]-2'-hydroxybiphenyl-4-carboxamide
+CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)NC(=O)N)O)Cl	64O	n-(4-{[4'-(carbamoylamino)-6-hydroxybiphenyl-3-yl]oxy}-3,5-dichlorophenyl)propanamide
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N	64P	5-aminothymidine 5'-(dihydrogen phosphate)
+Cc1ccccc1Nc2cc(nc3n2cnn3)C	64Q	7-methyl-n-(o-tolyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
+Cc1ccc2c(c1)NC(=O)[C@H](O2)C	64R	(2r)-2,6-dimethyl-2h-1,4-benzoxazin-3(4h)-one
+CCNc1c2cc(c(cc2ncn1)OC)OC	64S	n-ethyl-6,7-dimethoxyquinazolin-4-amine
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O	64T	5-hydroxy-thymidine-5'-monophosphate
+c1cc(cc(c1)Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N	64U	3-cyclohexyl-d-alanyl-n-(3-chlorobenzyl)-l-prolinamide
+CN1CCC(CC1)N(CC(=O)O)c2ccc3cnc(cc3n2)Nc4ccc(cc4F)n5ccc(n5)CO	64V	2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid
+CC(=CCC/C(=C/CO)/C)C	64Z	geraniol
+C/C=C(\C)/CCC=C(C)C	650	beta-myrcene
+c1ccc(cc1)c2ccc(cc2)[C@]3(CN4CCC3CC4)O	651	(3r)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol
+CC(C)(c1ccccc1Cl)c2nc(cn2c3ccc(cc3)c4cccc(c4)S(=O)(=O)C)C(C)(C)O	652	2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1h-imidazol-4-yl}propan-2-ol
+c1ccc(cc1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)CC[NH3+]	653	5-(2-aminoethyl)-3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate
+Cc1ccc(cc1)Cn2cc(nc2)c3cccs3	654	4-(2-thienyl)-1-(4-methylbenzyl)-1h-imidazole
+c1cc(c(c(c1)OC2CCCC2)[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N	655	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-(cyclopentyloxy)benzenolate
+CC(C)COc1cccc(c1[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N	656	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate
+c1cc2c(cc1OC(F)(F)F)sc(n2)N	657	6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
+Cc1cc(n(n1)c2nccc(n2)Nc3ccc(cc3)Cl)C	658	n-(4-chlorophenyl)-2-(3,5-dimethyl-1h-pyrazol-1-yl)pyrimidin-4-amine
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)F)O	659	n-[(e)-3-[(2r,3r,4s,5r)-3-fluoro-4-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+Cc1c2c(c3c(nc2[nH]n1)CC(CC3=O)(C)C)c4ccccc4OC	65A	4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one
+Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N	65B	4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
+Cc1c[nH]c(n1)c2cnc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(cn4)C#N	65C	chir99021
+CCCCCCCCOC(=O)c1cc(c(c(c1)O)O)O	65D	octyl 3,4,5-trihydroxybenzoate
+Cc1c2c(nc(nc2n(c1Sc3ccc(cc3)OC)C)N)N	65H	6-[(4-methoxyphenyl)sulfanyl]-5,7-dimethyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCC)COP(=O)(O)OCCN	65I	(9r,12r)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate
+CCn1c2c(c(c1Sc3cccc(c3)OC)C)c(nc(n2)N)N	65J	7-ethyl-6-[(3-methoxyphenyl)sulfanyl]-5-methyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+[H]/N=C(/c1ccc(cc1)C(=O)O)\N	65K	4-carbamimidoylbenzoic acid
+c1cc(c(cc1n2ccc(n2)CO)F)Nc3cc4c(ccc(n4)OC5CCNCC5)cn3	65L	[1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol
+CN(c1ccc(cc1)OC(F)(F)F)c2ccc3c(n2)c(nc(n3)N)N	65N	n~6~-methyl-n~6~-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine
+Cc1c2c(nc(nc2sc1Sc3cccc4c3cccc4)N)N	65O	5-methyl-6-(naphthalen-1-ylsulfanyl)thieno[2,3-d]pyrimidine-2,4-diamine
+Cc1c(ccc2c1CCCO2)c3c4ccn(c4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)Cc5ccc(c(c5)F)F	65P	(2s)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2h-chromen-6-yl)-1h-pyrrolo[2,3-b]pyridin-5-yl]acetic acid
+Cc1c2c(nc(nc2sc1Sc3cccc(c3)OC(F)(F)F)N)N	65Q	5-methyl-6-{[3-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine
+c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4ccncc4	65R	2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-n-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide
+C(C(=O)C(=O)O)F	65S	3-fluoro-2-oxopropanoic acid
+CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3cc(on3)Cc4ccccc4	65U	5-benzyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
+c1cc(cc(c1)Oc2cccc3c2ccc(n3)c4cn(nn4)c5ccc(c(c5)F)O)C(=O)O	65V	3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid
+CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3	65W	2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid
+c1ccc(cc1)c2c3cc(ccc3nc(c2c4[nH]nnn4)N5CCCCC5)Cl	65X	6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1h-tetrazol-5-yl)quinoline
+CC(C)c1cccc(c1)c2c3cc(ccc3nc(c2C(=O)O)C(C)C)Cl	65Y	6-chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid
+c1ccc(cc1)c2c3cc(cc(c3nc(c2C(=O)O)N4CCCCC4)Cl)Cl	65Z	6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	660	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid
+CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)C)O	662	5-(4-fluorophenyl)-2,3-dihydroxy-n-[(e)-3-[(2r,3r,4r,5r)-4-hydroxy-3-methyl-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]benzamide
+Cn1ccnc1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl	663	3-chloro-n-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1h-imidazol-2-yl)methyl]thiophene-2-carboxamide
+Cn1c(cc2c1CCNC2=O)c3ccnc(n3)Nc4cc(ccc4OC(F)(F)F)N5CCN(CC5)C	664	1-methyl-2-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1cc(cc(c1)Br)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3	665	(3s)-n-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
+C[C@@H]1CC(=O)NN=C1c2ccc(cc2)NC3=C(C(=O)CCC3)Cc4cccc(c4)I	666	6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one
+c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3	667	6-oxo-8,9,10,11-tetrahydro-7h-cyclohepta[c][1]benzopyran-3-o-sulfamate
+CC(C)[C@@](C(=O)N1CCC(CC1)C2CCN(CC2)c3ccc(c(c3)Cl)C(=O)N(C)C)(C(F)(F)F)O	668	2-chloro-4-{1'-[(2r)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-n,n-dimethylbenzamide
+c1cc(c(c(c1)Cl)COc2ccc3c(c2)cc(n3CCCCCC(=O)O)C(=O)O)Cl	669	1-(5-carboxypentyl)-5-(2,6-dichlorobenzyloxy)-1h-indole-2-carboxylic acid
+c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6	66A	7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCCC(=O)O	66B	(8e,12z,15z,18z,21z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid
+c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)c5ccc(cc5)C[C@@H](C(=O)O)N)C(=O)CCN	66C	4-[8-(beta-alanyl)-8,9-dihydro-1h-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-l-phenylalanine
+CC[C@@H](C)C[C@@](C)(C(=O)O)N	66D	(4r)-2,4-dimethyl-l-norleucine
+CCN[C@@H](C(C)C)C(=O)O	66E	n-ethyl-l-valine
+C[C@]1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F	66F	n-{3-[(5r)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2h-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
+C1C[C@H](NC1)C2=N/C(=C(/O)\S)/C(=O)O2	66G	(4z)-4-[hydroxy(sulfanyl)methylidene]-2-[(2s)-pyrrolidin-2-yl]-1,3-oxazol-5(4h)-one
+[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)NC(=O)c4ccco4	66H	n-{3-[(2e,4r)-2-imino-1-methyl-5-oxo-4-phenylimidazolidin-4-yl]phenyl}furan-2-carboxamide
+[H]/N=C/1\N[C@](CS(=O)(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl	66J	(3e,5s)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide
+Cc1ccc(cc1OC2CCN(CC2)C(=O)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C	66K	4-[(4-methylpiperazin-1-yl)methyl]-n-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide
+c1cc(ccc1NC(=O)C2(CC2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cnc(c5)OCCN6CCOCC6)F	66L	n-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCCCCC(=O)N[C@H](CC(=O)O)C(=O)O)O)O)N	66M	(2r)-2-{[6-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name)
+C[C@@H](C(=O)N)N	66N	l-alaninamide
+C[C@H]1[C@H](C([C@@H]([C@@H](O1)O)O)O)O	66O	alpha-l-6-dexoy-gulopyranose
+c1ccc2c(c1)[nH]c(n2)C3=C(C=CNC3=O)NC4CCC(CC4)N	66P	4-[(4-aminocyclohexyl)amino]-3-(1h-benzimidazol-2-yl)-1h-pyridin-2-one
+COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[C@@H]4c5c(c6ccccc6[nH]5)C[C@H](N4)C(=O)O	66R	trans-ned 19
+CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	66S	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate
+C[C@@H]1CN(C[C@@H](N1)C)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)CCc4cc(cc(c4)OC)OC	66T	n-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]benzamide
+C([C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N)O	66U	(1r,2s,3s,4r,5s,6r)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+C(CCCCN=[N+]=N)CCCN[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)CO	66V	1-(8-{[(1s,2r,3s,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium
+CNc1nccc(n1)N2CC[C@@H](C2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCOCC4	66X	n-{(3s)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl}-n'-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}urea
+C1[C@@H]2C=C[C@H]1NC2=O	66Y	(1s,4r)-2-azabicyclo[2.2.1]hept-5-en-3-one
+C1[C@H]2C=C[C@@H]1NC2=O	66Z	(1~{s},4~{r})-3-azabicyclo[2.2.1]hept-5-en-2-one
+c1cc(ccc1n2cc(nn2)C34C5=C6[Fe]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N	670	p-(4-ferrocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide
+c1ccc2c(c1)cccc2[C@H]3CCCN3C(=O)CNC(=O)NCc4ccc(cc4)N	671	1-(4-aminobenzyl)-3-{2-[(2r)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)/C(=N\[H])/N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)/N	672	(s)-4-(4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carbonyl)piperidine-1-carboximidamide
+CC(C)NCCCOc1ccc(cc1CC=C)c2ccccc2	673	n-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine
+c1cc(ccc1C2=COc3cc(c(cc3C2=O)O)O)O	674	6,7-dihydroxy-3-(4-hydroxyphenyl)-4h-chromen-4-one
+[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)\N	675	6-[(z)-amino(imino)methyl]-n-phenyl-2-naphthamide
+c1ccc(cc1)[C@@H](CN)NC(=O)C[C@H]2CNC(=O)c3n2cc(c3)c4ccnc(c4)F	676	n-[(1s)-2-amino-1-phenylethyl]-2-[(4s)-7-(2-fluoro-4-pyridinyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide
+CS(=O)(=O)c1ccc2c(c1)nc3n2C[C@@H]([C@H](C3)c4cc(c(cc4F)F)F)N	677	(2r,3r)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine
+c1cc2c(cc1C(=[NH2+])N)cc([nH]2)c3cc(cc(c3[O-])Br)CC(=O)[O-]	678	(3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-5-bromo-4-oxidophenyl)acetate
+c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)C(=O)O)Cl	679	2-chloro-5-[4-(3-chloro-phenyl)-2,5-dioxo-2,5-dihydro-1h-pyrrol-3-ylamino]-benzoic acid
+c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F	67A	3-(1-phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1h)-one
+CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C	67B	n,n-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)benzamide
+CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C	67C	3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl]-n,n-dimethylbenzamide
+c1ccc2c(c1)c(c[nH]2)CCC(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncn6c5ncc6)O)O	67D	3-(5-o-{[3-(1h-indol-3-yl)propanoyl]sulfamoyl}-beta-d-ribofuranosyl)-3h-imidazo[2,1-i]purine
+CC(C)[C@@H](C(=O)O)N(CCNC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3	67F	(2s)-2-{[2-({[(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name)
+c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)[C@H]4C[C@@H]4C#N)C(F)(F)F	67G	(1s,2s)-2-[7-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-5-oxo-2-(trifluoromethyl)-5h-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile
+CCN(CC1=CC(=O)N2C(=C(SC2=N1)C)C(=O)NC)c3ccc(cc3)F	67H	7-{[ethyl(4-fluorophenyl)amino]methyl}-n,2-dimethyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
+CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cc3cccc(c3F)C(F)(F)F)C	67J	n-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
+c1ccnc(c1)c2cc(cc(n2)C=O)O	67K	4-hydroxy[2,2'-bipyridine]-6-carbaldehyde
+c1ccnc(c1)c2cc(cc(n2)CO)O	67L	6-(hydroxymethyl)[2,2'-bipyridin]-4-ol
+CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4	67M	(2r)-2-[({1-[3-({(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2h-pyran-2-yl}oxy)propyl]-1h-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name)
+CN1C=Cc2cc[nH]c2C1=O	67N	6-methyl-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+Cc1cc2ccc1[C@H](COC(=O)Nc3cc(c(c(c3)F)O)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C	67O	(2r,15r)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
+c1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(c(c3)Cl)F	67P	n-({4-[2-(benzenecarbonyl)hydrazinecarbonyl]phenyl}methyl)-3-chloro-4-fluorobenzene-1-sulfonamide
+Cc1c(ncc(n1)C(=O)NCC2=SC(=NC2)C)CNS(=O)(=O)c3ccc(c(c3)F)F	67Q	5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-n-[(2-methyl-4h-1lambda~4~,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
+Cc1ncc(s1)CNC(=O)c2cnc(cn2)CNS(=O)(=O)c3ccc(c(c3)Cl)F	67R	5-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
+CC(C)[C@@H]1CN(CCN1c2ncc(c(n2)C(F)(F)F)CO)c3ccc(c(c3)S(=O)(=O)C)CO	67S	{2-[(2r)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol
+C[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(nc(n4)N)N)C#N	67T	2,4-diamino-6-{[(1s)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile
+CC(C)c1c(cn(n1)C)c2[nH]c3cc(cnc3n2)Br	67U	6-bromo-2-[1-methyl-3-(propan-2-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridine
+Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)C(=O)OC	67V	methyl 8-cyclopropyl-2-methyl-9h-pyrido[2,3-b]indole-3-carboxylate
+c1ccc(c(c1)CC(=O)O)C(=O)Nc2ccc(cc2)c3cc[nH]n3	67W	(2-{[4-(1h-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid
+C[C@@H]1Cc2cccc(c2NC1)S(=O)(=O)N	67X	(3r)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
+c1ccc2c(c1)CCC[C@H]2NC(=O)CO	67Y	2-hydroxy-n-[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
+COc1ccc(c(c1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)OC	67Z	1-(4-aminobenzyl)-3-{2-[(2r)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea
+CNC1=C(C(=O)NC(=N1)N)[N+](=O)[O-]	680	6-methylamino-5-nitroisocytosine
+CC(C)[C@@H]([C@@H](c1nnc(o1)C(C)(C)C)O)NC(=O)CN2C(=NC=C(C2=O)N)c3ccccc3	681	2-(5-amino-6-oxo-2-phenyl-6h-pyrimidin-1-yl)-n-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-(methylethyl)-2-hydroxyethyl]acetamide
+[H]/N=C(\N)/NCCC[C@@H]([C@@H](c1nccs1)O)NC(=O)[C@H](C(C)C)NC(=O)N	682	n~2~-(aminocarbonyl)-n~1~-{4-{[amino(imino)methyl]amino}-1-[hydroxy(1,3-thiazol-2-yl)methyl]butyl}valinamide
+Cc1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O	683	2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid
+c1ccc2c(c1)C=Cc3cc(ccc3N2Cc4cnc5c(n4)c(nc(n5)N)N)OCCCC(=O)O	684	4-({5-[(2,4-diaminopteridin-6-yl)methyl]-5h-dibenzo[b,f]azepin-2-yl}oxy)butanoic acid
+Cc1cc(cc(c1)Nc2nccc(n2)c3nc(c(s3)C(=O)N[C@@H](C)CO)C)C	685	2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-n-[(1s)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide
+c1cc(ccc1CN(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)c2ccc(nc2)N3CCN(CC3)c4ccc(cc4)N5CCN(CC5)C(=O)c6ccc(c(c6)C7=C8C=CC(=O)C=C8Oc9c7ccc(c9)O)C(=O)O)Br	686	n-({(1s)-5-[(4-bromobenzyl)({6-[4-(4-{4-[4-carboxy-3-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoyl]piperazin-1-yl}phenyl)piperazin-1-yl]pyridin-3-yl}carbonyl)amino]-1-carboxypentyl}carbamoyl)-l-glutamic acid
+CC(=O)N[C@@H](Cc1ccc(c(c1)C=O)OP(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	687	n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3-formyl-o-phosphonotyrosinamide
+c1cc(cc(c1)Oc2cc(cc(n2)Oc3cc(ccc3O)C(=N)N)C(=O)O)c4[nH]ccn4	688	2-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1h-imidazol-2-yl)phenoxy]pyridine-4-carboxylic acid
+C[C@H]1C=C([C@@H]2[C@@H]([C@]1(CO[C@@H]2c3ccc(cc3)O)CO)C)C	689	4-[(1s,2s,5s)-5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
+Cc1c2c(sc1C(=O)O)N=CN(C2=O)C	68A	3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
+c1ccc(cc1)C(=O)Nc2cncnc2	68B	n-(pyrimidin-5-yl)benzamide
+Cc1c2c(sc1C(=O)Nc3nncs3)N=CNC2=O	68C	5-methyl-4-oxo-n-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
+Cc1c2c(sc1C(=O)Nc3ccccc3CC(=O)O)N=CNC2=O	68D	{2-[(5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl}acetic acid
+Cc1cc(c(cc1C(=O)NS(=O)(=O)c2cccc3c2nccc3)c4ccc(s4)C#CCO)OC	68E	5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-n-[(quinolin-8-yl)sulfonyl]benzamide
+C[C@H]1[C@H]([C@H]([C@@H](N1)CCCC[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O)O)O	68F	(2s,3s,4r,5s,2's,3's,4'r,5's)-2,2'-(butane-1,4-diyl)bis(5-methylpyrrolidine-3,4-diol)
+CCc1c(c2n3c1C=C4C(=C5C6=[N]4[Mg]37[N]8=C(C=C9N7C(=C6[C@](C5=O)(C(=O)OC)O)C(=C9C)CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)CC)C)C)C	68G	13'2-hydroxyl-chlorophyll a
+CC(C)(C)NC[C@@H](c1ccc(c(c1)CO)O)O	68H	salbutamol
+CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3C#CCC4(CC4)NC(=O)c5ccc(cc5)F	68J	n-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide
+CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3CCc4ccc(cn4)NC(=O)c5ccc(cc5)F	68K	n-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide
+c1cc2c(cc1NC(=O)c3ccc(cn3)Cl)[C@@]4(COC(=N4)N)c5cc(ncc5O2)C6=CCCOC6	68L	n-[(5s)-2'-amino-3-(5,6-dihydro-2h-pyran-3-yl)-5'h-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-7-yl]-5-chloropyridine-2-carboxamide
+Cc1cccnc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)NCCC(C)(C)C	68M	(2r)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-n-(3,3-dimethylbutyl)-2-methylpropanamide
+c1ccc2c(c1)CCN[C@@H]2CO	68N	[(1s)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
+CCc1cc(c(cc1F)Oc2ccccc2F)O	68O	5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol
+CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F	68P	(1s)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
+c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O	68Q	3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid
+C[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)Cl)Nc4c(c(ncn4)N)C#Cc5c[nH]nc5	68R	2-[(1s)-1-({6-amino-5-[(1h-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3h)-one
+COc1cccc(c1)S(=O)(=O)NC(=O)c2cc(c(cc2OC)OC)c3ccc(s3)C#CCO	68T	5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-n-[(3-methoxyphenyl)sulfonyl]benzamide
+CNC(=O)c1ccc2cncc(c2n1)c3ccc4c(c3)CS(=O)(=O)N4C	68U	n-methyl-8-(1-methyl-2,2-dioxo-2,3-dihydro-1h-2lambda~6~,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide
+c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Br)C(=O)O	68V	3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid
+c1ccc(cc1)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)O	68W	3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid
+C[C@@H]1CC(=O)Nc2ccc(cc2N1)O[C@H](C)c3ccccc3	68Y	(4r)-4-methyl-7-[(1r)-1-phenylethoxy]-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C3=C(C(=O)NC(=N3)N)NC2=O	68Z	1r,2s,4r)-4-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-2-oxidanyl-cyclopentyl]methyl dihydrogen phosphate
+B1(c2ccccc2[C@H](O1)CCN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)O	690	5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3r)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-n-methyl-1-benzofuran-3-carboxamide
+CC(=O)Nc1cc2ccccc2nc1	691	n-(quinolin-3-yl)acetamide
+CNCc1ccccc1c2cccs2	692	n-methyl-1-(2-thiophen-2-ylphenyl)methanamine
+c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-])F	693	2-(5-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-2'-fluoro-6-oxido-1,1'-biphenyl-3-yl)succinate
+c1cc(ccc1c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)O	694	4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thiophene-2-carboxylic acid
+CC(=O)NCCc1cccc2c1cc(cc2)S(=O)(=O)NC	695	n-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide
+c1ccc(cc1)c2cccc(c2[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N	696	3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-1,1'-biphenyl-2-olate
+c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O	697	5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile
+CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)C(=O)O)C(=O)O	698	(2s,4s,5r)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid
+CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(F)(F)F)c3cccs3)C(=O)O)C(=O)O	699	(2s,4s,5r)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid
+C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCc3ccccc3	69A	(4r)-n-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-6-carboxamide
+C[C@@H]1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)C5CC5	69B	(4r)-6-(3-cyclopropyl-1-methyl-1h-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+CSc1c2c(c(s1)c3cc[nH]n3)C[C@@H](NC2=O)c4ccccc4	69C	(6r)-3-(methylsulfanyl)-6-phenyl-1-(1h-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5h)-one
+CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)Br	69D	(1s)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile
+C[C@@H]1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)c5cnn(c5)C	69E	(4r)-4-methyl-6-[1-methyl-3-(1-methyl-1h-pyrazol-4-yl)-1h-indazol-5-yl]-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cccc(c3)OCc4ccccc4	69F	(4r)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+C/C=C/CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C	69G	3-{6-[(2e)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl}-n,n-dimethylbenzamide
+CCCCCCc1cc(c(cc1F)Oc2ccccc2C)O	69H	4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol
+CCc1cc(c(cc1F)Oc2ccccc2[N+](=O)[O-])O	69J	5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol
+CCc1cc(c(cc1F)Oc2cccnc2C)O	69K	5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol
+c1cc(cc(c1)c2c(n[nH]c2N)c3ccc(cc3)O)c4cccc(c4)N	69M	4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1h-pyrazol-3-yl]phenol
+CCCC(=O)C(=O)O	69O	2-oxopentanoic acid
+c1[nH]c2c(n1)c(ncn2)N3CCNCC3	69P	6-piperazin-1-yl-9h-purine
+CC(C)(CNc1nc(nc(n1)Nc2ccnc(c2)C(F)(F)F)c3cccc(n3)C(F)(F)F)O	69Q	2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol
+c1cc(ccc1c2c(n[nH]c2NCc3c[nH]cn3)c4ccc(cc4)O)O	69R	4,4'-(5-{[(1h-imidazol-4-yl)methyl]amino}-1h-pyrazole-3,4-diyl)diphenol
+c1cc(cc(c1)N)c2cc(ccc2O)c3c(n[nH]c3N)c4ccc(cc4)O	69S	3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1h-pyrazol-4-yl][1,1'-biphenyl]-2-ol
+c1cc(ccc1c2cc([nH]n2)Nc3ccc(cc3)O)O	69T	4-{5-[(4-hydroxyphenyl)amino]-1h-pyrazol-3-yl}phenol
+c1cc(ccc1CNc2c(c(n[nH]2)c3ccc(cc3)O)c4ccc(cc4)O)O	69U	4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1h-pyrazole-3,4-diyl)diphenol
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)NC(=O)Cc5ccccc5	69V	2-phenyl-n-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+c1cc(cc(c1)c2cn[nH]c2N)c3cccc(c3)N	69W	4-(3'-amino[1,1'-biphenyl]-3-yl)-1h-pyrazol-5-amine
+c1ccc(cc1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(F)(F)F	69Y	4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one
+Cc1ncc2n1nc(s2)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl	69Z	[(2s)-2-(4-chlorophenyl)pyrrolidin-1-yl](5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone
+C(CC[C@@H](C(=O)O)N)CCC(=O)NO	6A0	(2s)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid
+C[N+](C)(CCNC1CCc2c3c1c(c4cc(ccc4n3cn2)OC)O)O	6A1	hydroxy(2-{[(5s)-6-hydroxy-8-methoxy-4,5-dihydro-3h-imidazo[4,5,1-de]acridin-5-yl]amino}ethyl)dimethylammonium
+CCCCCCCCCCCCCC(=O)OC[C@H]1COP(=S)(O1)[S-]	6A4	(4s)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate
+Cc1c(c(n2cc(nc2n1)C(=O)N3CCOCC3)c4ccc(cc4Cl)Cl)CN	6A5	sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone
+c1cc(ccc1[C@@H]2CCCCN2C(=O)c3ccc4c(c3)c(n[nH]4)N)F	6A6	(3-amino-1h-indazol-5-yl)[(2s)-2-(4-fluorophenyl)piperidin-1-yl]methanone
+Cc1c2cc(cnc2[nH]n1)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl	6A7	[(2s)-2-(4-chlorophenyl)pyrrolidin-1-yl](3-methyl-1h-pyrazolo[3,4-b]pyridin-5-yl)methanone
+[H]/N=C(\N)/NCCC[C@@H](B1OC[C@@H](O1)CO)NC(=O)[C@H](Cc2ccc(cc2)CN)NC(=O)c3ccccc3	6A8	((r)-1-((s)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol
+COCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O	6A9	 n-9'-methoxynonyl-1-deoxynojirimycin
+c1ccc(c(c1)C(=O)O)N	6AB	6-aminobenzoic acid
+C=CC#N	6AC	prop-2-enenitrile
+CSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N	6AD	2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate)
+C[C@H]([C@@H](C)O)Nc1ccnc(n1)Nc2ccc(cc2)S(=O)(=O)N	6AE	4-[(4-{[(2r,3r)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide
+C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)Br)O	6AF	(2r,3r)-3-[(5-bromo-2-{[4-(s-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol
+C(CCCO)CCN	6AH	6-aminohexan-1-ol
+c1cc2cn[nH]c2cc1N	6AI	1h-indazol-6-amine
+CN1C(=O)CN2C1=Nc3c(n(c(n3)N4CCC[C@H](C4)N)Cc5cc(ccc5C#N)F)C2=O	6AJ	2-({2-[(3r)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1h-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cc(cc6c5ccn6C)C(=O)O)c7c(nn(c7C)C)C)Cl	6AK	4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}-1-methyl-1h-indole-6-carboxylic acid
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)Nc4cccc(c4)C(=O)O)c5c(nn(c5C)C)C)Cl	6AL	3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-1h-indole-2-carbonyl}amino)benzoic acid
+c1(nc(nc(n1)O)N)N	6AM	4,6-diamino-1,3,5-triazin-2-ol
+c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=C3C=CCC=C3	6AN	6-[(1e)-cyclohexa-2,4-dien-1-ylideneamino]naphthalene-2-sulfonate
+[H]/N=C/[C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](CC)N	6AO	(2s)-2-azanyl-n-[(2s)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide
+c1[nH]c2c(n1)c(nc(n2)N)N	6AP	9h-purine-2,6-diamine
+c1cc(ccc1n2ccnc2)F	6AQ	1-(4-fluorophenyl)-1h-imidazole
+c1cc(ccc1n2ccnc2)Br	6AR	1-(4-bromophenyl)-1h-imidazole
+CCCCCCSC1=C([C@@](C(CC1=O)(C)C)(/C=C/C(=C\C(=O)O)/C)O)C	6AS	(2z,4e)-5-[(1s)-3-(hexylsulfanyl)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
+CSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N	6AT	2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate)
+CC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	6AU	6-acetyluridine 5'-phosphate
+c1cc(c(cc1Cl)N)n2ccnc2	6AV	5-chloro-2-(1h-imidazol-1-yl)aniline
+CC[C@@H](CC[C@H](CC)NC(=O)OCc1cncs1)NC(=O)[C@H](CO)NC(=O)N(C)Cc2csc(n2)C(C)C	6AW	1,3-thiazol-5-ylmethyl [(3s,6s)-6-{[n-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-seryl]amino}octan-3-yl]carbamate
+c1cc(ccc1Cc2nnc(o2)N)Cl	6AX	5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
+Cn1c2c(cn1)c(ncn2)NCc3ccc(cc3)Cl	6AY	n-[(4-chlorophenyl)methyl]-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N=[N+]=[N-]	6AZ	6-azidouridine 5'-(dihydrogen phosphate)
+c1cc(c(c(c1)Cl)Cl)CO	6B0	(2,3-dichlorophenyl)methanol
+c1c2c(cc(c1Cl)Cl)nc([nH]2)CO	6B1	(5,6-dichloro-1h-benzimidazol-2-yl)methanol
+CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NS(=O)(=O)CC(C)C)c4ccc(cc4)Cl)C	6B2	n-[(2r,3s)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide
+c1ccc2c(c1)-c3ccc(cc3NC2=O)NC(=O)c4ccccc4c5ccccc5C(=O)O	6B3	2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid
+CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N	6B4	1-(4-aminobenzyl)-3-(2-{(2r)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea
+COc1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O	6B5	2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4h-1-chromen-4-one
+O[Pt](O)(O)O	6B6	platinum(4+) tetrahydroxide
+CCCOC(=O)CS[C@@H]1[C@@H](C(=N[C@@H]1C(=O)O)[C@H](C=O)[C@@H](C)O)C	6B7	(2~{r},3~{r},4~{r})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-2-carboxylic acid
+C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)SC	6B8	(2s,3r,4r)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+c1cc(c(cc1/N=C/S)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O	6B9	2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[(e)-(sulfanylmethylidene)amino]benzoic acid
+c1ccc(c(c1)n2cc(cn2)c3ccncc3OCC4CCNCC4)F	6BB	4-[1-(2-fluorophenyl)-1h-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine
+c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C#N)Cl	6BC	5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+C[C@@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)O	6BD	(2s)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid
+CC(C)COc1cnccc1c2cnn(c2)c3ccc(cc3)N4CCN(CC4)C	6BE	1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1h-pyrazol-1-yl}phenyl)piperazine
+CN1CCN(CC1)c2ccc(cc2)n3cc(cn3)c4ccncc4OCC5CCNCC5	6BF	1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1h-pyrazol-1-yl)phenyl]piperazine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)Br	6BG	6-bromo-6-deoxy-beta-d-glucopyranose
+c1ccc(cc1)COc2cccc(c2)NC(=O)c3cccc(c3)[N+](=O)[O-]	6BH	n-[3-(benzyloxy)phenyl]-3-nitrobenzamide
+c1ccnc(c1)CNC(=O)c2ccc(cc2)n3cc(cn3)c4ccncc4	6BJ	n-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1h-pyrazol-1-yl]benzamide
+c1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O	6BK	2-(3,4-dihydroxyphenyl)-5-hydroxy-4h-1-benzopyran-4-one
+Cc1c-2c([nH]n1)OC(=O)c3c2cccc3	6BL	1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3h)-one
+C1C[C@@H](C(=O)N(C1)O)P(=O)(O)O	6BM	[(3s)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid
+CCC1=C(C(=O)NC(=C1)C)CN2CCc3c(cc(c(c3C2=O)Cl)OC4CCN(CC4)C(=O)[C@@H](C)O)Cl	6BN	5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2r)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2h)-one
+Br[Pt](Br)(Br)(Br)(Br)Br	6BP	hexabromoplatinate(iv)
+C[C@@H]1CC/C=C/C[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)OP(=O)(O)O)CCO)C)O	6BQ	phosphorylated josamycin
+C[C@H]([C@@H](C(=O)O)N)O[V](=O)([O-])([O-])[O-]	6BR	threoninevanadate
+Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NCCC(C)(C)C	6BS	3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-(3,3-dimethylbutyl)propanamide
+c1ccc2c(c1)CCN[C@H]2CO	6BT	[(1r)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
+c1cc(cc(c1)NS(=O)(=O)C2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5	6BU	n-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1h-indazol-3-yl)cyclopropanecarboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	6BV	(2~{r},3~{s},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol
+C[C@@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C	6BW	(2r,5s,10r)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene
+C1COCCN1C[C@@H](CS(=O)(=O)O)O	6BX	(2s)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid
+C1COCCN1C[C@H](CS(=O)(=O)O)O	6BY	(2r)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid
+CC1=NC=CN(C1=O)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCN)NC	6BZ	8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2h)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(o3)Cl)Cl)O)O	6C0	methyl 3-chloro-2-(2-{1-[(5-chlorofuran-2-yl)methyl]-1h-imidazol-2-yl}ethyl)-4,6-dihydroxybenzoate
+B(c1ccccc1OCc2cccc(c2)Cl)(O)O	6C1	{2-[(3-chlorophenyl)methoxy]phenyl}boronic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)C(=O)O)O)O	6C2	methyl 2-acetamido-2-deoxy-beta-d-glucopyranosiduronic acid
+Cc1cc(on1)C2=C(c3cc(ccc3NC2=O)Cl)c4ccccc4	6C3	6-chloro-3-(3-methylisoxazol-5-yl)-4-phenylquinolin-2(1h)-one
+C1CCC(C1)CNC(=O)C2CCCC2	6C4	n-(cyclopentylmethyl)cyclopentanecarboxamide
+C1CCC(C1)CNC(=O)N2CCCC2	6C5	n-(cyclopentylmethyl)pyrrolidine-1-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC4CCCC4	6C6	 n-cyclopentyladenosine 5'-(dihydrogen phosphate)
+CC(=CCSP(=O)(O)OP(=O)(O)O)C	6C7	s-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate
+c1cocc1/C=C/C(=O)N2CCCC2	6C8	(2e)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
+C1CCN(C1)C(=O)NC[C@@H]2CCOC2	6C9	n-{[(3s)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O	6CA	4'-{6-[4-(2-carboxyphenylamino)-phenoxy]-hexyloxy}-biphenyl-4-carboxylic acid
+Cc1cc(cc(n1)N)c2ccncc2NC(=O)c3c(ccc(n3)c4ccccc4F)N	6CB	3-amino-n-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide
+c1cc(c(cc1c2csc(n2)N)S(=O)(=O)N)Cl	6CC	5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide
+C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C)NC(C)(C)C)C(=O)N1	6CD	2-(tert-butylamino)-3-methyl-8-[(6r)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3h)-one
+c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)SC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4NC(=NC5=O)N)O)O	6CE	5'-s-[(s)-hydroxy{[2-(1h-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O	6CF	2'-deoxy-5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O)O)O)NC(=NC2=O)N	6CG	5'-s-phosphono-5'-thioguanosine
+CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@]1C[C@@H]2c3cc(nn3C)c4ccc(cc4)OC	6CH	[(1~{s},2~{r},4~{s},5~{r})-5-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl ~{n}-propylcarbamate
+c1ccc(cc1)C2=CC(=C3N(C2=O)c4cc(ccc4S3)OC5CCCCC5)C(=O)N[C@@H](Cc6ccc(cc6)O)C(=O)O	6CJ	n-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1h-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-l-tyrosine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)O)O)N=C(NC2=O)N	6CK	[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(trifluoromethyl)tetrahydro-2h-pyran-2-yl dihydrogen diphosphate (non-preferred name)
+C(C[C@H](C(=O)O)[NH3+])C[C@@H](C(=O)O)N	6CL	6-carboxylysine
+CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO)NC(=O)CCCCC)O	6CM	n-((e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl)hexanamide
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N	6CN	6-cyanouridine 5'-phosphate
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36([N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)c9ccccc9)C=C)C	6CO	[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)](phenyl)iron
+c1cc(cc(c1)Cl)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	6CP	6-cyclohexylmethoxy-2-(3'-chloroanilino) purine
+Cc1cccc(c1)[Fe]234n5c6c(c(c5C=C7[N]2=C(C=C8N3C(=CC9=[N]4C(=C6)C(=C9C)C=C)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C=C)C	6CQ	[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)di(propanoato)(2-)](3-methylphenyl)iron
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)nc(nc2Cl)N	6CR	6-chloro-9-(beta-d-ribofuranosyl)-9h-purin-2-amine
+CC1=N[C@@H]([C@H](CN1)O)C(=O)O	6CS	(4s,5s)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@@H]1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C	6CT	phosphoric acid mono-[5-hydroxymethyl-2-methyl-3-thyminyl-cyclopentylmethyl]ester group
+CC[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c4ccccc4[nH]c3C2(C)C)C	6CU	(6as,9r,10r,10as)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole
+c1cc(cc(c1)Br)C[C@@H](C(=O)O)N	6CV	3-bromo-l-phenylalanine
+c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)O)N	6CW	6-chloro-l-tryptophan
+c1c(nc[nH]1)CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	6CX	5'-{[(3s)-3-amino-3-carboxypropyl][(1h-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine
+CC(=O)N1CCN(CC1)C(=O)c2cccc(c2)c3c4cc(ccc4ncn3)c5cc(c(nc5)OC)C#N	6CY	5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile
+CCOC(=O)C(=O)CN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6CZ	5'-{[(3s)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CC(=O)CBr)O)O)N	6D0	5'-{[(3s)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCCl)O)O)N	6D1	5'-{[(3s)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine
+[H]/N=C(/N)\NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6D2	5'-{[(3s)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine
+c1c(nnn1CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C[C@@H](C(=O)O)N	6D3	(2s)-2-amino-4-[(3-{4-[(2s)-2-amino-2-carboxyethyl]-1h-1,2,3-triazol-1-yl}propyl){[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCNNN)O)O)N	6D4	5'-{[(3s)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN=[N+]=[N-])CC[C@@H](C(=O)O)N)O)O)N	6D5	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN)CC[C@@H](C(=O)O)N)O)O)N	6D6	5'-{[(3s)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine
+CNC(=O)c1ccc2cc(ccc2c1)[C@@]3(CCn4c3cnc4)O	6D7	(r)-orteronel
+CC(C)[C@](c1ccc2cc(c(cc2c1)OC(F)F)OC(F)F)(c3c[nH]nn3)O	6D8	vt-464
+c1ccc(cc1)c2cc3c(cn2)ncc4c3n(cn4)c5ccc6c(c5)sc(n6)NCCN7CCOCC7	6DA	n-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1h-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O	6DB	octopine
+CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(=O)N(C=N3)C	6DC	n-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(c2)c(nc(n3)N)O)C=O	6DD	n-(4-{[(2-amino-4-hydroxyquinazolin-6-yl)methyl](formyl)amino}benzoyl)-l-glutamic acid
+CCOC(=O)c1c(nn(c1C)c2ccccc2Cl)C	6DE	1-(2-chlorophenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](C)c2ccccc2)O	6DF	[6-methyl-5-oxidanyl-4-[(~{e})-[(1~{r})-1-phenylethyl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
+c1cnc2c3c(nn2c1)CN(C3)[C@@H]4C[C@@H]([C@H](OC4)c5cc(ccc5F)F)N	6DG	(2r,3s,5r)-2-(2,5-difluorophenyl)-5-(7h-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9h)-yl)oxan-3-amine
+c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO	6DH	3-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]propan-1-ol
+CCCC/N=C\1/N2C[C@@H]([C@H]([C@H]([C@H]2CS1)O)O)O	6DJ	(3z,6s,7r,8s,8as)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol
+c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O	6DK	9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{n}-phenyl-nonanamide
+c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F	6DL	5-(5-bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O	6DM	6-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose
+C(CCNCC(=O)O)C[C@@H](C(=O)O)N	6DN	(2~{s})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid
+CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC	6DO	(2~{s})-2-[[(2~{r},3~{r})-3-methoxy-3-[(2~{s})-1-[(3~{r},4~{s},5~{s})-3-methoxy-5-methyl-4-[methyl-[(2~{s})-3-methyl-2-[[(2~{s})-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methyl-propanoyl]amino]-3-phenyl-propanoic acid
+CS(=O)(=O)Nc1cccc2c1cn[nH]2	6DP	~{n}-(1~{h}-indazol-4-yl)methanesulfonamide
+c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3	6DQ	2-pyridin-3-yl-1,3-benzothiazin-4-one
+CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccncc3	6DR	6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
+CCC(CC)(c1ccc(c(c1)C)/C=C/C(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O	6DS	(4s)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid
+Cn1ccc2c1c(ncn2)Oc3ccc(cc3)Nc4[nH]c5ccccc5n4	6DT	n-(4-((5-methyl-5h-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1h-benzimidazol-2-amine
+c1ccc(c(c1)C[C@@H](C(=O)O)N)Br	6DU	2-bromo-l-phenylalanine
+c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCN4CCN(CC4)c5ccc(cc5F)F	6DV	n~5~-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2-(furan-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
+c1ccc(cc1)n2c(ccn2)C3=NN(C=C(C3=O)OCCN4CCn5c4nc6c5cccc6)CC7CC7	6DW	1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1h-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one
+c1ccc(cc1)N2CCN(CC2)CCCNc3nc(n4c(n3)nc(n4)c5ccco5)N	6DX	2-(furan-2-yl)-n~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
+c1ccc(cc1)C2CCN(CC2)CCNc3nc(n4c(n3)nc(n4)c5ccco5)N	6DY	2-(furan-2-yl)-n~5~-[2-(4-phenylpiperidin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
+CN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco4)N	6DZ	2-(furan-2-yl)-n~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
+CCCCCCCCCCCCCCCCCCP(=O)(O)O	6E0	octadecylphosphonic acid
+COc1c(c(c(c(c1F)F)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4c(c(c(c(c4F)F)OC)F)F)O)CO)O)F)F	6E1	3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-d-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-d-galactopyranoside
+COc1c(ccc2c1N=C(N3C2=NCC3)NC(=O)c4cnc(nc4)N)OCCCN5CCOCC5	6E2	2-azanyl-~{n}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide
+CC1=C(N2C(=C(C(=O)N2C1=O)C)C)C	6E3	2,3,5,6-tetramethyl-1h,7h-pyrazolo[1,2-a]pyrazole-1,7-dione
+C(CC(=O)N)[C@@H](C(=O)N)N	6E4	l-glutamamide
+[H]/N=C(/c1cccs1)\Nc2cccc(c2)COC[C@@H]3C[C@@H](CN3)OCc4cccc(c4)N/C(=N\[H])/c5cccs5	6E5	n-[3-({[(3s,5s)-5-{[(3-{[(z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide
+c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@H](CO)O)C#N	6E6	1-[(2r)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+c1ccc(cc1)CCNC(=O)c2ccnc(c2)c3cc(ccn3)C(=O)O	6E7	4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid
+CC1=C(C(=O)n2c(c(cn2)C#N)N1)C(C)C	6E8	5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CN(c1cccc(c1)OC)S(=O)(=O)c2ccc3c(c2)NC(=O)C(=O)N3	6E9	n-(3-methoxyphenyl)-n-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
+c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cncc4c3ccc(n4)c5ccncc5)N	6EA	(1s)-1-(1h-indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine
+Cn1cc(nc1)c2c3c(ccn2)c(nc(n3)OCCCC(F)(F)F)O	6EB	8-(1-methyl-1h-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol
+c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)C(=O)O)O	6EC	5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid
+c1cc2c(cc1F)c(nn2CCN3CCC(CC3)(F)F)Nc4cnccc4C(=O)O	6ED	3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1h-indazol-3-yl}amino)pyridine-4-carboxylic acid
+c1cc(ccc1[C@@H](c2cc(cc(c2)F)F)[C@@H](C(=O)Nc3cncc(c3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCC(F)(F)F)F)N)Cl	6EE	(betas)-4-chloro-beta-(3,5-difluorophenyl)-n-(5-fluoro-4-{2-[(2r,5s)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-l-phenylalaninamide
+COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCc5ccccc5	6EF	n-(2-{2-[(2r,5s)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[C@@H](CO)NCc4ccc(cc4)N	6EG	n-{2-[(3s)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)NCCC[C@@H]3CNCCO3	6EH	nalpha-(methoxycarbonyl)-n-{3-[(2r)-morpholin-2-yl]propyl}-beta-phenyl-l-phenylalaninamide
+Cc1ccc(cc1)OS(=O)(=O)O	6EI	(4-methylphenyl) hydrogen sulfate
+c1cc(c2c3c1C=CC(=O)N3C[C@H]2CN4CCC(CC4)NCc5cc6c(nn5)OCCO6)F	6EJ	(1r)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-4-one
+c1c([nH]c(n1)N)C[C@@H](C(=O)N[C@@H]([C@@H](c2cnc([nH]2)Cl)O)C(=O)O)NC(=O)[C@H](C[C@@H](COC(=O)N)O)NC(=O)[C@@H]3[C@H](CCCN3)O	6EK	(2s,3s)-2-{[(2s)-3-(2-amino-1h-imidazol-5-yl)-2-{[(2s,4s)-5-(carbamoyloxy)-4-hydroxy-2-({[(2s,3s)-3-hydroxypiperidin-2-yl]carbonyl}amino)pentanoyl]amino}propanoyl]amino}-3-(2-chloro-1h-imidazol-5-yl)-3-hydroxypropanoic acid
+c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O	6EL	2-[(3~{r})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione
+CC[C@@H](C(=O)N)[N+](C)(C)C	6EM	(2s)-1-amino-n,n,n-trimethyl-1-oxobutan-2-aminium
+Cn1cc(c2c1nccc2)Nc3cnccc3C(=O)O	6EN	3-[(1-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid
+c1cc(ccc1CC(=O)Nc2cnccc2C(=O)O)Cl	6EO	3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid
+Cc1cc(ccc1COc2ccnn2c3cc(ccn3)C(=O)O)Cl	6EP	2-{5-[(4-chloro-2-methylphenyl)methoxy]-1h-pyrazol-1-yl}pyridine-4-carboxylic acid
+c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)O)C(=O)O	6EQ	4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid
+CCCCCC(=O)OC[C@@H](COP(=O)([OH-])OCC[N+](C)(C)C)OC(=O)CCCCC	6ER	(s)-2,3-bis(hexanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate
+CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)O)O)O	6ES	(2s)-1-{[(r)-hydroxy{[(1r,2r,3s,4s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate
+c1cc(ccc1CCNC(=S)N2CCCc3cc(c(cc3C2)O)O)Cl	6ET	capsazepine
+C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)Cc6ccc(c(c6)OC)O)O)C)O[C@](O3)(O2)Cc7ccccc7)C(=C)C	6EU	resiniferatoxin
+CSc1c2c(cs1)C=CC(=C)C2=O	6EV	5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5h)-one
+CCN1c2ccc(cc2OCC(C1=O)(C)C)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C	6EW	n-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-n-(2,2,2-trifluoroethyl)benzene-1-sulfonamide
+CC(=O)n1ccnc1	6EX	1-(1h-imidazol-1-yl)ethan-1-one
+c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl	6EY	(6r)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1h)-one
+c1cc(ccc1c2ccc(c(c2)NC(=O)C3C[C@H]4CC[C@@H](C3)O4)N)F	6EZ	(3-exo)-n-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide
+c1cc(c(c(c1)F)C(=O)O)N	6F0	2-azanyl-6-fluoranyl-benzoic acid
+CCN1c2ccc(cc2OCC1=O)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C	6F1	n-(4-ethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-3,4-dimethyl-n-(2,2,2-trifluoroethyl)benzene-1-sulfonamide
+Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N6CCN(CC6)C	6F2	[3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
+CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O	6F3	n-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide
+c1cc(sc1)CNc2nnc(s2)N	6F4	n~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine
+CC(C)CCCCC(=O)O	6F5	6-methylheptanoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)COP(=O)(O)O)O	6F7	3'-deoxy-5-methyluridine 5'-(dihydrogen phosphate)
+CCC/C=C\C/C=C\CCCCCCCc1cccc(c1O)O	6F8	3-[(8z,11z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol
+CCC(=O)N1CCOc2c(cc(cc2C(=O)N[C@H]3CCCN(C3)C)c4cc(cc(c4)OC)OC)C1	6F9	7-(3,5-dimethoxyphenyl)-n-[(3s)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
+Cc1cc2c(c(c1C)O)N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	6FA	6-hydroxy-flavin-adenine dinucleotide
+c1cncc2c1cc3c(c2)cnc(n3)N	6FB	pyrido[3,4-g]quinazolin-2-amine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)(O)O)O)SC(F)(F)F	6FC	2'-trifluoromethylthio-2'-deoxycytidine
+c1cncc2c1c(c3c(c2)cnc(n3)N)N	6FD	pyrido[3,4-g]quinazoline-2,10-diamine
+CN(C)c1ccc(cc1)C(=C2C=CC(C=C2)N(C)C)c3ccc(cc3)OC	6FE	4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-n,n-dimethyl-aniline
+CCCN(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F	6FF	5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methyl-n-propylbenzene-1-sulfonamide
+c1cocc1CCC(=O)N2CCCC2	6FG	3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one
+CC[C@H](C)CCCCC(=O)O	6FH	(6~{s})-6-methyloctanoic acid
+CN(Cc1ccco1)C(=O)c2cc(c(cc2O)O)C3=NNC(=O)N3c4ccccc4F	6FJ	5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-n-[(furan-2-yl)methyl]-2,4-dihydroxy-n-methylbenzamide
+CC(=O)N(c1ccccc1)c2nc3c(n2[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)NC(=NC3=O)N	6FK	[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+C([C@@H](C(=O)O)N)C(C(F)(F)F)C(F)(F)F	6FL	5,5,5,5',5',5'-hexafluoro-l-leucine
+C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)O	6FM	2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate)
+C#C[C@]1([C@H](C[C@@H](O1)n2cnc3c2nc(nc3N)F)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O	6FN	2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate)
+c1c(nc2c(n1)N=C(NC2=O)N)C=O	6FP	2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde
+c1cc(cc(c1)N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)c5[nH]nnn5	6FQ	2,4-dioxo-10-[3-(1h-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile
+C1CCC(C1)CCS(=O)(=O)N2CCCC2	6FR	1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine
+COc1ccc(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC	6FS	n-[2-methoxy-5-({[(e)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine
+c1cc(ccc1CN2C=C(C(=O)C(=C2)O)C(=O)O)c3ccc(cc3)S(=O)(=O)N	6FT	5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)(O)O)O)SC(F)(F)F	6FU	2'-trifluoromethylthio-2'-deoxyuridine
+c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O	6FV	10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile
+c1cc(ccc1Sc2nc3c(n2[C@H]4[C@@H]([C@H]5[C@H](O4)COP(=O)(O5)O)O)NC(=NC3=O)N)Cl	6FW	2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6h-purin-6-one
+COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O	6FX	methyl 5-(4-oxidanylidene-5~{h}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate
+CC[C@H](C(=O)NCC(=O)O)O[P@H](=O)CC[C@@H](C(=O)O)N	6FY	(2~{s})-2-azanyl-4-[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid
+c1ccc2c(c1)CC(C2)C(=O)O	6FZ	2,3-dihydro-1h-indene-2-carboxylic acid
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	6G0	5'-o-[(r)-hydroxy{[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCC4	6G1	cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
+c1cnccc1COc2cc(cnc2N)c3cnc(s3)C4CCNCC4	6G2	5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine
+CC(C)c1nc(c2n1ccnc2N)c3ccc(c4c3cccc4)NC(=O)Nc5cccc(c5)C(F)(F)F	6G3	n-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-n'-[3-(trifluoromethyl)phenyl]urea
+CCCCCC(=O)CCC(=O)NCCCC[C@@H](C(=O)O)N	6G4	4-oxononanoyl lysine
+C[n+]1cn(c2c1c(nc(n2)N)[O-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)OP(=O)(O)O)(Cl)Cl)O)O)OC	6G6	2-amino-9-{5-o-[(r)-{[(s)-{dichloro[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-o-methyl-beta-d-ribofuranosyl}-7-methyl-9h-purin-7-ium-6-olate
+c1ccc(c(c1)N2C(=NNC2=O)c3ccc(cc3O)O)F	6G7	5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+c1cc2c(cc1NC(=O)C(=O)O)sc(n2)NC(=O)c3cc(c([nH]3)Br)Br	6G9	2-[[2-[[4,5-bis(bromanyl)-1~{h}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid
+c1ccc(cc1)CNC(=O)[C@H](Cc2ccc(cc2)F)C(=O)NO	6GA	(2s)-n~1~-benzyl-2-[(4-fluorophenyl)methyl]-n~3~-hydroxypropanediamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O	6GB	6-o-(6-o-phosphono-beta-d-glucopyranosyl)-beta-d-glucopyranose
+CCCCN(C)C(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F	6GC	n-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methylbenzamide
+CC(C)(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3c4cc(ccc4n[nH]3)F	6GD	6-(tert-butylsulfonyl)-n-(5-fluoro-2h-indazol-3-yl)quinolin-4-amine
+Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O	6GE	4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol
+COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4	6GF	6-(4-methoxyphenyl)-n~4~,n~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine
+c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl	6GG	4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1h-imidazol-5-yl}-1h-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid
+c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4	6GH	n~4~,n~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine
+c1ccn2cc(nc2c1)COc3ccc(cc3)C4NC(=Nc5n4c6cc7c(cc6n5)OCCCO7)N	6GI	13-[4-({imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine
+CCCC/N=C/1\N2[C@H](CS1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O	6GJ	(3e,5s,6r,7s,8s,8as)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol
+COc1ccccc1c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4	6GK	6-(2-methoxyphenyl)-n~4~,n~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine
+C(C[C@@H](C(=O)O)N)COP(=O)(O)O	6GL	5-(phosphonooxy)-l-norvaline
+c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O	6GM	4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol
+c1ccc2c(c1)c(cc[n+]2CCCNC(=O)CCC(=O)NCCOCCOCCN)Cc3[n+](c4ccccc4s3)CCCS(=O)(=O)O	6GN	1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium
+COc1c2c(nc[nH]2)nc(n1)N	6GO	6-o-methylguanine
+COC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	6GP	n-[methoxy(oxo)acetyl]-beta-d-glucopyranosylamine
+Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)c3ccccn3	6GQ	n,4-dimethyl-n-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide
+c1ccc(c(c1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O	6GR	2-(alpha-l-altropyranosyloxy)benzoic acid
+C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)F	6GS	2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate)
+C(CCC(=O)O)CC(=O)C(=O)O	6GT	2-oxoheptanedioic acid
+c1[nH]c2c(n1)c(nc(n2)N)Cl	6GU	6-chloroguanine
+CC(C)N(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F	6GV	5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-2,4-dihydroxy-n-methyl-n-(propan-2-yl)benzene-1-sulfonamide
+Cc1ccccc1N2C(=NNC2=O)c3cc(c(cc3O)O)C(=O)N(C)Cc4cccs4	6GW	2,4-dihydroxy-n-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl]-n-[(thiophen-2-yl)methyl]benzamide
+Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC)CNCCNC(=O)C	6GX	n-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide
+CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	6GY	5-chloro-n~4~-[2-(dimethylphosphoryl)phenyl]-n~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine
+Cc1c(cccc1c2ccccc2)COc3ccc(cc3Br)CN4CCCC[C@@H]4C(=O)O	6GZ	(2r)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid
+c1cc(cc(c1)OCCCCNC=O)CNC(=O)c2ccc(cc2)S(=O)(=O)N	6H0	~{n}-[[3-(4-formamidobutoxy)phenyl]methyl]-4-sulfamoyl-benzamide
+c1cc(ccc1Cc2cc3c(cc2O)OCO3)C(F)(F)F	6H1	6-{[4-(trifluoromethyl)phenyl]methyl}-2h-1,3-benzodioxol-5-ol
+c1ccn2cc(nc2c1)c3ccc(c(c3)O)O	6H2	4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)Cl	6H3	n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Oc4ccccc4NC(=O)C=C)Cl	6H4	n-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
+[H]/N=C(/NCc1c(cccc1Oc2cccc(c2)OC)N3CCCCC3)\NC(=O)c4ccc(cc4)C[C@@H](C(=O)O)N	6H5	4-[(n-{[2-(3-methoxyphenoxy)-6-(piperidin-1-yl)phenyl]methyl}carbamimidoyl)carbamoyl]-l-phenylalanine
+c1ccc2c(c1)N(C(=O)O2)CCC(=O)O	6H6	3-(2-oxo-1,3-benzoxazol-3(2h)-yl)propanoic acid
+[H]/N=C(/N)\Nc1ccc2c(c1)[nH]c(n2)NC	6H8	n-[2-(methylamino)-1h-benzimidazol-6-yl]guanidine
+CNc1[nH]c2ccc(cc2n1)C(=O)NN	6H9	2-(methylamino)-1h-benzimidazole-5-carbohydrazide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N	6HA	1',5'-anhydro-2',3'-dideoxy-2'-(adenin-9-yl)-6'-o-phosphoryl-d-arabino-hexitol
+C=C[C@@H](CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)O	6HB	2'-deoxy-n-[(2s)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate)
+C1[C@@H](CO[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N	6HC	1',5'-anhydro-2',3'-dideoxy-2'-(cytosin-1-yl)-6'-o-phosphoryl-d-arabino-hexitol
+CNc1[nH]c2ccc(cc2n1)C(=O)N	6HD	2-(methylamino)-1h-benzimidazole-5-carboxamide
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Fe@@]3(N45)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)C	6HE	6-methy-6-depropionatehemin
+CN1CCN(CC1)c2ccc(cc2)Nc3nc4c(cc[nH]4)c(n3)Oc5ccc(cc5)NC(=O)C=C	6HF	n-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N=C(NC2=O)N	6HG	1',5'-anhydro-2',3'-dideoxy-2'-(guanin-9-yl)-6'-o-phosphoryl-d-arabino-hexitol
+c1cc(ccc1c2cc(c(nc2)N)c3ccc(cc3)Cl)C4(CCCC4)C(=O)O	6HH	1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid
+CC(C)n1c(c(nc1C(=O)NCc2ccc(cc2)F)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O	6HI	(3r,5r)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1h-imidazol-5-yl}-3,5-dihydroxyheptanoic acid
+Cn1cc(c2c1cccc2)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N	6HJ	(r)-1-(3-(4-amino-3-(1-methyl-1h-indol-3-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
+Cn1cncc1c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)OC	6HK	methyl [3-(1-methyl-1h-imidazol-5-yl)-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]acetate
+C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cccc5c4cccc5)c(ncn3)N	6HL	(r)-1-(3-(4-amino-3-(naphthalen-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
+c1ccc(cc1)c2ccccc2CC(C(=O)O)C(=O)O	6HM	[([1,1'-biphenyl]-2-yl)methyl]propanedioic acid
+C(CC[N+](=O)[O-])C[C@@H](C(=O)O)N	6HN	6-nitro-l-norleucine
+c1cc(cc(c1)F)C(=O)N2CC=CC2	6HO	(2,5-dihydro-1h-pyrrol-1-yl)(3-fluorophenyl)methanone
+CC(C)COC1=CC(=O)N(C(=O)N1C)C	6HP	1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1h,3h)-dione
+CC1(C(=O)NC(=O)N1C)C	6HQ	1,5,5-trimethylimidazolidine-2,4-dione
+Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO	6HR	3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CO)N)N)N)O	6HS	(1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](OC2)COP(=O)(O)O)O	6HT	1',5'-anhydro-2',3'-dideoxy-2'-(thymin-1-yl)-6'-o-phosphoryl-d-arabino-hexitol
+Cc1ccccc1c2cc(c(cc2C)OCCN)Nc3ccn(n3)C[C@@H](CO)OC	6HU	(2s)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1h-pyrazol-1-yl)-2-methoxypropan-1-ol
+Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3	6HV	(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone
+Cc1ccccc1c2cc(ccc2C)Nc3nccs3	6HW	n-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine
+Cc1ccc(cc1c2ccccc2Cl)N	6HX	2'-chloro-6-methyl[1,1'-biphenyl]-3-amine
+C1=CC(=O)NC=C1C(=O)CCC(=O)O	6HY	4-oxidanylidene-4-(6-oxidanylidene-1~{h}-pyridin-3-yl)butanoic acid
+Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3	6HZ	(2,5-dihydro-1h-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone
+Cc1ccc2c3cccc(c3[nH]c2n1)C4CC4	6I4	8-cyclopropyl-2-methyl-9h-pyrido[2,3-b]indole
+CC1(CC(CC(O1)(C)C)c2cc(n(n2)c3ccccc3OC)c4ccc(cc4)Cl)C	6I7	5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole
+CC(C)CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	6IA	n6-isopentenyl-adenosine-5'-monophosphate
+CNCCc1ccc(c(c1)Cc2cc(cc(c2OC)Cc3cc(ccc3OC)CCNC)CCNC)OC	6IB	2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{n}-methyl-ethanamine
+C#Cc1c(ccc2c1c(cc(c2)O)c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)F	6IC	4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2r,4r,7as)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol
+[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCN/C(=N\[H])/N)C(=O)N[C@H](CCCN/C(=N\[H])/N)C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCN/C(=N/[H])/N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c2c3cc[nH]c3ncn2	6ID	~{n}-[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-[[(2~{r})-1-azanyl-5-[[$l^{1}-azanyl($l^{2}-azanylidene)methyl]-$l^{2}-azanyl]-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide
+C[C@@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)[C@@H]2[C@H]3[C@@H](C[C@@H](CCO3)CC(C)C)CN2)Cl	6IF	methyl 7-chloro-6,7,8-trideoxy-6-{[(4s,5as,8s,8ar)-4-(2-methylpropyl)octahydro-2h-oxepino[2,3-c]pyrrole-8-carbonyl]amino}-1-thio-l-threo-alpha-d-galacto-octopyranoside
+CCc1c(c(nc(n1)N)NCCc2ccccc2)c3ccc4c(c3)N(CCC4)CCCOC	6IG	6-ethyl-5-[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]-n~4~-(2-phenylethyl)pyrimidine-2,4-diamine
+COc1cc(c(cc1OC)[N+](=O)[O-])C[S@@+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	6IH	4,5-dimethoxy-2-nitro benzyme s-adenosyl-methionine
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@@](C3)(CNC(=O)c4ccc(cc4)CN5CC6([C@@H]5C7CC7)CCC6)O	6IK	4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3s)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCC(=O)O)CC(=O)N	6IN	4-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-butyric acid
+c1cnc(nc1NC2CCC(CC2)Nc3ccnc(n3)C(F)(F)F)C(F)(F)F	6IO	~{n}1,~{n}4-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
+c1cc(nc(c1)N)CCc2ccc3cc[nH]c3c2	6IP	6-[2-(1h-indol-6-yl)ethyl]pyridin-2-amine
+c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)NCCN	6IR	5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide
+c1cc2nnc(n2nc1NC3CCC(CC3)Nc4ccnc(n4)C(F)(F)F)Cl	6IT	~{n}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{n}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
+CC(=O)NCCNC(=O)C[N+](=O)[O-]	6IU	n-(2-acetamidoethyl)-2-nitro-ethanamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OCc2ccccc2)C(=O)NC(C)(C)C)N(C)Cc3ccc(cc3)C(C)(C)C	6IX	(2~{s})-~{n}-[(2~{s})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)OCCN	6IY	(10r,13s)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate
+c1cc(cc(c1)F)CCNCCNc2ccnc(n2)n3ccnc3	6J0	n-[2-(3-fluorophenyl)ethyl]-n'-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
+Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-]	6J1	2,6-dinitro-p-cresol
+C[C@@H](C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	6J2	coenzyme f420-0
+Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O	6J3	2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
+C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	6J4	coenzyme f420-3
+c1ccc(c(c1)OCc2[nH]nnn2)Cl	6J5	5-[(2-chloranylphenoxy)methyl]-1h-1,2,3,4-tetrazole
+c1cc(c(cc1[C@H]2CC(=O)c3cc(ccc3O2)O)O)O	6J6	(2~{r})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(nc3Br)C(=O)NC(=N4)N)O)OP(=O)(O1)O	6J7	2-amino-8-bromo-9-[(2r,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6h-purin-6-one
+CN(C(=O)C[C@@H](CCCc1ccc(cc1)OC)CP(=O)(O)O)O	6J8	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methoxyphenyl)pentyl]phosphonic acid
+c1c[nH]c2c1c(ncn2)N3CCNCC3	6J9	4-(piperazin-1-yl)-7h-pyrrolo[2,3-d]pyrimidine
+CCC1(C(=O)NC(=O)NC1=O)CC[Se]C#N	6JA	2-[5-ethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl selenocyanate
+CN(C(=O)C[C@@H](CCCc1cccc(c1)OC)CP(=O)(O)O)O	6JB	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methoxyphenyl)pentyl]phosphonic acid
+Cc1c(c(on1)C)c2cc3cc[nH]c3nc2	6JC	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
+c1cc(ccc1O)S(=O)(=O)c2ccc(cc2)O	6JD	4-(4-hydroxyphenyl)sulfonylphenol
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)O)c5ccc(cc5)Cl)C	6JE	2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(4-hydroxyphenyl)acetamide
+Cc1c(c(on1)C)c2cc3c(c(cn3[C@@H](C)c4ccccn4)c5ccc(cc5)C(=O)O)nc2	6JF	4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s)-1-(pyridin-2-yl)ethyl]-1h-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid
+CC(=O)Nc1ccc(cc1)Oc2ccccc2c3nc4ccncc4s3	6JG	n-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide
+c1ccc(cc1)Oc2c(cccn2)c3nc4ccncc4s3	6JH	2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O	6JI	5-[(1r,2s,4r,6r,7r,10s,11s,14s,16r)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
+c1ccc(cc1)Oc2ccccc2c3nn4cnnc4s3	6JJ	6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
+c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O	6JM	2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4h-1-benzopyran-4-one
+C(C(=O)CC(=O)O)C(=O)O	6JN	3-oxopentanedioic acid
+c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O	6JO	3,6-dihydroxy-2-(3-hydroxyphenyl)-4h-1-benzopyran-4-one
+COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O	6JP	(2s)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4h-1-benzopyran-4-one
+Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)CCCN4CCCC4)NC(=O)c5ccc6c(c5)OCCO6	6JQ	n-{5-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-2-methylphenyl}-2-[3-(pyrrolidin-1-yl)propyl]quinoline-6-carboxamide
+c1ccc(cc1)c2cn3c(n2)Nc4c(ncn4[C@H]5[C@@H]([C@H]6[C@H](O5)COP(=O)(O6)O)O)C3=O	6JR	3-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxotetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9h-imidazo[1,2-a]purin-9-one
+COc1ccc(cc1Nc2c3c(n[nH]c3ncn2)c4ccco4)c5ccco5	6JS	3-(furan-2-yl)-n-[5-(furan-2-yl)-2-methoxyphenyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc2c(c1)c(co2)Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO	6JT	(3r)-3-{3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-n-hydroxybutanamide
+c1ccc(cc1)Cc2cn(c3c2cc(cc3)Br)CC(=O)NO	6JU	2-(3-benzyl-5-bromo-1h-indol-1-yl)-n-hydroxyacetamide
+CN1CCN(CC1)CCCNC(=O)c2ccc(c(c2)OC)NC(=O)c3csc4c3N=CNC4=O	6JV	n-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
+CCC1(C(=O)NC(=O)NC1=O)CCBr	6JW	5-(2-bromoethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
+CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)NC(=O)OCC=C	6JX	allyl (2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-6-yl)carbamate
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1ccccc1	6JY	n~2~-(benzenecarbonyl)-l-arginine
+CCOCCOCCOCCOCCOCC	6JZ	3,6,9,12,15-pentaoxaheptadecane
+CC(C)n1cc(c2c1ncnc2N)C(=O)c3ccnc(c3)NC(=O)Nc4ccc(cc4F)F	6K0	n-{4-[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-n'-(2,4-difluorophenyl)urea
+CC(C)n1cc(c2c1ncnc2N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)Cl	6K1	n-{5-[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide
+CC(C)n1cc(c2c1ncnc2)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)C#N	6K2	2-(4-cyanophenyl)-n-{5-[7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide
+CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)F)O)O	6K3	heptyl 4-deoxy-4-fluoro-alpha-d-mannopyranoside
+CC(C)(CO)n1cc(c2c1nc(nc2)N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cn4)Cl	6K4	n-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide
+c1c(c(cnc1N)c2nc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F	6K5	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
+c1cc(oc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	6K6	n-(furan-2-ylmethyl)adenosine 5'-(dihydrogen phosphate)
+c1c(c(cnc1N)c2cc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F	6K7	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)CNC(=O)c1ccccc1	6K8	n-(benzenecarbonyl)glycyl-l-arginine
+C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O	6K9	(1s,3s,6s,9s,12s,14r,16r,18s,20r,21r,22s,26r,29s,31r,32s,33r,35r,36s)-20-[(2s)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name)
+Cc1ccn(n1)[C@@H](C)c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4Cl)F	6KA	n-{1-[(2-chloro-6-fluorophenyl)methyl]-1h-pyrazol-3-yl}-5-[(1s)-1-(3-methyl-1h-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)OCCCC(=O)O)O)O)O)OP(=O)(O)O)N	6KB	4-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxybutanoic acid
+CN1CCN(CC1)C(=O)c2ccc(c(c2)c3ccccc3)NC(=O)c4csc5c4N=CNC5=O	6KC	n-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
+CC(C)Oc1c(cccc1NC(=O)c2csc3c2N=CNC3=O)C(=O)N4CCN(CC4)C	6KD	n-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
+C[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl	6KE	(2s)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide
+C[C@H](CO)[C@@H]([C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)c3ccccc3)NC(=O)[C@H](Cc4ccccc4)N=[N+]=[N-])O	6KF	(2s)-2-azido-n-[(2s)-3-(biphenyl-4-yl)-1-{[(2s)-1-{[(2s,3s,4r)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name)
+C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)[C@H](Cc3ccccc3)N=[N+]=[N-])O	6KG	nalpha-[(2s)-2-{[(2s)-2-azido-3-phenylpropanoyl]amino}-4-cyclohexylbutanoyl]-n-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-l-phenylalaninamide
+CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)F)O	6KH	heptyl 3-fluoro-alpha-d-mannopyranoside
+[H]/N=C(\NOC(C)(C)C)/N=C/CC[C@@H](C(=O)O)N	6KJ	(5e)-5-[(n-tert-butoxycarbamimidoyl)imino]-l-norvaline
+CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)S(=O)(=O)c6ccc(cc6)OC	6KK	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate
+CC(=O)N[C@H]1C[C@@](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)(C(=O)O)OC	6KL	methyl 4,5-bisacetamido-3,4,5-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+CCC(=O)SC[C@@H](C(=O)O)N	6KM	s-propanoyl-l-cysteine
+Cc1cnccc1c2cc(cc3c2cn[nH]3)C(F)(F)F	6KN	4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1h-indazole
+COc1ccccc1C(=O)OC[C@H]2CCCN2c3ccnc4n3ncn4	6KO	[(2r)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate
+Cc1c(cc2c(n1)[nH]cn2)n3c4ccc(cc4c5c3c[nH]n5)F	6KP	7-fluoro-4-(5-methyl-3h-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole
+COc1ccc(cc1)S(=O)(=O)N(Cc2ccccc2)C[C@H]([C@H](CC34CC5CC(C3)CC(C5)C4)NC(=O)O[C@H]6CO[C@@H]7[C@H]6CCO7)O	6KQ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate
+CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCCO5)O)S(=O)(=O)c6ccc(cc6)OC	6KR	(3r,3as,7ar)-hexahydro-4h-furo[2,3-b]pyran-3-yl {(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate
+CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F	6KS	heptyl 2-fluoro-alpha-d-mannopyranoside
+c1cc2c(cc1C(=O)N)sc(n2)N	6KT	2-amino-1,3-benzothiazole-6-carboxamide
+CCCCCCCO[C@@H]1[C@H]([C@H](C[C@H](O1)CO)O)O	6KU	heptyl 4-deoxy-4-deoxy-alpha-d-mannopyranoside
+CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N	6KV	3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
+CCCCCCCO[C@@H]1[C@H](C[C@@H]([C@H](O1)CO)O)O	6KW	heptyl 3-deoxy-alpha-d-mannopyranoside
+CC1=C(C(CCC1)(C)C)C=O	6KX	beta-cyclocitral
+CN(C)[C@@H](CC[Se]C)C(=O)O	6KY	(2s)-2-(dimethylamino)-4-(methylselanyl)butanoic acid
+CC[C@@H]([C@H](c1nc(on1)c2ccccc2)O)NC(=O)[C@H](CC(C)C)NC(=O)N3CCOCC3	6KZ	n-[(2s)-4-methyl-1-oxidanylidene-1-[[(1r,2s)-1-oxidanyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]pentan-2-yl]morpholine-4-carboxamide
+C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(C/C=C/CCNC(=O)CCC(=O)N(CC1)O)O)O	6L0	(8e)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone
+C[C@@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	6L1	5'-o-[(r)-{[(3s)-3-aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine
+COc1cc(c(cc1c2ccc(s2)C#CCO)C(=O)NS(=O)(=O)[C@@H]3CCC[C@H](C3)OC)OC	6L2	5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-n-{[(1r,3r)-3-methoxycyclohexyl]sulfonyl}benzamide
+Cc1cc(c(c(c1)C)C(=O)OC)C	6L3	methyl 2,4,6-trimethylbenzoate
+Cn1cc(cn1)Nc2ncc(c(n2)Oc3ccccc3NC(=O)C=C)Cl	6L4	~{n}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCCCCC(=O)N[C@H](CC(=O)O)C(=O)N)O)O)N	6L5	(3r)-4-amino-3-{[6-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name)
+CSC(=S)/C=C(/c1cccc(c1)O)\O	6L6	methyl (2z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[NH+](CC[C@@H](C(=O)O)[NH3+])CC[NH3+])O)O)N	6L7	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azaniumylethyl)-[(3~{s})-3-azaniumyl-4-oxidanyl-4-oxidanylidene-butyl]azanium
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C[C@@H](c3cncnc3)C(=O)N	6L8	(2r)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide
+C([C@@H](C(=O)N)N)C(C(=O)O)C(=O)O	6L9	[(2s)-2,3-diamino-3-oxopropyl]propanedioic acid
+CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O	6LA	methyl 2-(acetylamino)-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranoside
+CCN1CCOCC1	6LB	4-ethylmorpholine
+[H]/N=C(/N)\NC/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6LC	9-[(5e)-7-carbamimidamido-5,6,7-trideoxy-beta-d-ribo-hept-5-enofuranosyl]-9h-purin-6-amine
+C[C@H](C[C@@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)O)C(=O)O	6LD	sacubitrilat
+c1cc(ccc1[C@@H](CN)O)Cl	6LE	(1s)-2-amino-1-(4-chlorophenyl)ethan-1-ol
+C[C@H](c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)/C=C/c4cnn(c4)CCO	6LF	2-[4-[e-2-[5-[(1r)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1h-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
+C[C@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)[N+](=O)[O-])OP(=O)(N3CC3)N4CC4	6LG	(1r)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis[(aziridin-1-yl)]phosphinate
+c1cc(ccc1CN)S(=O)(=O)N	6LH	4-(aminomethyl)benzene-1-sulfonamide
+c1cc(ccc1OCC[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)Cl	6LI	7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate)
+c1ccc(c(c1)C#N)c2cc(c3ccccc3n2)NCCCN4CCCCC4	6LJ	2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile
+Cc1c2cc(ccc2n(n1)c3cc(c(nc3)OC)Cl)C(=O)NS(=O)(=O)C	6LK	1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-n-(methylsulfonyl)-1h-indazole-5-carboxamide
+O=[Mo]12(=O)(=O)O[Mo](=O)(=O)(O1)(O2)O[Mo](=O)(=O)(=O)(=O)=O	6LL	tetrakis-(mu-oxo)-deca-oxo-trimolybdenum
+C[C@@H](CC(=O)O)/C=C/[C@@]1([C@@]2(CC(=O)C[C@]1(OC2)C)C)O	6LM	(3s,4e)-5-[(1r,5r,8s)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid
+C(CS)S	6LN	ethane-1,2-dithiol
+CC(=O)NCC1CC(C1)n2cc(c3c2ncnc3N)c4cccc(c4)OCc5ccccc5	6LO	n-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide
+c1cc(cc(c1)Cl)Nc2nccc(n2)c3ccnc(c3)NCCN	6LP	n~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cc(c(nc3)N)C(=O)Nc4cnccc4CN5CCCC5	6LQ	2-amino-5-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-n-[4-(pyrrolidin-1-ylmethyl)pyridin-3-yl]pyridine-3-carboxamide
+C1COCCN1	6LR	morpholine
+CCCCCCCO[C@@H]1C[C@H]([C@@H]([C@H](O1)CO)O)O	6LS	heptyl 2-deoxy-alpha-d-mannopyranoside
+CC(C)n1c(cc(n1)C(F)F)C(=O)Nc2ccc(c(c2)c3ccccc3)[C@H]4[C@H](CCCc5n4cnc5)O	6LT	3-(difluoromethyl)-n-{6-[(5s,6s)-6-hydroxy-6,7,8,9-tetrahydro-5h-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-yl}-1-(propan-2-yl)-1h-pyrazole-5-carboxamide
+Cc1cc(cc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N)C	6LU	4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide
+COc1cc(cc(c1)OC)Cc2nc3ccccc3c4n2nc(n4)N	6LV	5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
+C([C@H]1[C@@H]([C@H](/C(=N/O)/O1)O)O)O	6LW	(z)-l-arabinonhydroximo-1,4-lactone
+Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C	6LX	n-(3-aminopropyl)-n-[(1r)-1-(3-benzyl-7-chloro-4-oxo-4h-chromen-2-yl)-2-methylpropyl]-4-methylbenzamide
+c1cc(ccc1[C@@H](CN)O)Br	6LY	(1s)-2-amino-1-(4-bromophenyl)ethan-1-ol
+c1cc(ccc1C(=O)CN)F	6LZ	2-amino-1-(4-fluorophenyl)ethan-1-one
+O[Mo]1O[Mo](O[Mo](O1)(O)(O)(O)O[Mo]2(OO2)(O)(O)O[Mo]3(OO3)(O)(O)O)(O)(O)(O)O[Mo](O)(O)(O)O	6M0	mo(6)-o(26) cluster
+Cc1cccc(c1C(=O)O)N	6M1	2-amino-6-methylbenzoic acid
+c1ccc(c(c1)c2cc(ccc2[C@H]3[C@H](CCCc4n3cnc4)O)C#N)Cl	6M3	2'-chloro-6-[(5s,6s)-6-hydroxy-6,7,8,9-tetrahydro-5h-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile
+[B-]1(c2ccccc2CO1)(O)O	6M4	1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium
+COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(=O)[C@H]5[C@@H]4CC=CC5)C6CCCCCC6	6M5	(4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
+c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)O)N	6M6	s-[(2-phenylethyl)carbamothioyl]-l-cysteine
+CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N	6M8	7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine
+B1(c2ccccc2CO1)O	6M9	2,1-benzoxaborol-1(3h)-ol
+CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6MA	n6-methyl-deoxy-adenosine-5'-monophosphate
+Cc1c(noc1NS(=O)(=O)c2ccc(cc2)NCc3cnc4c(n3)C(=O)NC(=N4)N)C	6MB	4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-n-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide
+CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6MC	cis-n6-methyl-deoxy-adenosine-5'-monophosphate
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	6MD	n-methyladenosine
+C[C@H]1CCc2c(c(nc(n2)N)N)C1	6ME	(6s)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
+C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C	6MG	n~2~-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-[(2s)-2,3,3-trimethylbutyl]-l-leucinamide
+CC1=CC=CC(=S)N1O	6MH	1-hydroxy-6-methylpyridine-2(1h)-thione
+CC1=NC2=C(NC(=NC2=O)N)N(C1=O)[C@H]3CC(C(O3)COP(=O)(O)O)O	6MI	6-methyl-8-(2-deoxy-ribofuranosyl)isoxanthopteridine
+CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O	6MJ	methyl beta-d-xylopyranoside
+c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O	6MK	(2e)-4-[n'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid
+O1[Fe](O[Fe]2S[Fe]3[S]2[Fe]1S3)[S]	6ML	oxygen-damaged sf4
+CC1(OC[C@]2(O1)[C@H]3[C@@H]([C@H](O2)CNc4[nH]c5cc6c(cc5n4)N=C(NC6=O)N)OC(O3)(C)C)C	6MM	6-amino-2-({[(3a'r,4s,6'r,6a'r)-2,2,2',2'-tetramethyldihydro-3a'h-spiro[1,3-dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl]methyl}amino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one (non-preferred name)
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)N)O)O)OP(=O)(O)O	6MN	2-amino-2-deoxy-6-o-phosphono-alpha-d-mannopyranose
+[Mo+6]	6MO	molybdenum(vi) ion
+Cc1c2c(nc[nH]2)ncn1	6MP	6-methylpurine
+CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N)C	6MQ	methyl 5-[(6-amino-8-oxo-7,8-dihydro-3h-imidazo[4,5-g]quinazolin-2-yl)amino]-5-deoxy-2,3-o-(1-methylethylidene)-beta-d-ribofuranoside
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)NS(=O)(=O)c3ccc(cc3)c4ccc(cc4)I	6MR	n-[(4'-iodobiphenyl-4-yl)sulfonyl]-d-tryptophan
+c1nc2c(n1CCCCCCP(=O)(O)O)N=C(NC2=O)N	6MS	[6-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)hexyl]phosphonic acid
+CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6MT	trans-n6-methyl-deoxy-adenosine-5'-monophosphate
+Cc1cc(nc(n1)O)O	6MU	6-methylpyrimidine-2,4-diol
+CC(C)(c1ccc2c(c1)[nH]c3c2c(ccc3C(=O)N)c4cccc(c4F)N5C=Nc6ccccc6C5=O)O	6MV	4-[2-fluoro-3-(4-oxoquinazolin-3(4h)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9h-carbazole-1-carboxamide
+c1cnccc1[C@H]2N[C@H](CS2)C(=O)O	6MW	(2s,4s)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid
+c1cc(nc(c1C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)SC5CCCCC5)N6CC[C@@H](C6)CC(=O)O	6MX	2-[(3~{r})-1-[6-cyclohexylsulfanyl-5-[[(1~{r},3~{s})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid
+c1ccc(cc1)c2cnc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	6MY	(1s)-1,5-anhydro-1-(5-phenyl-1h-imidazol-2-yl)-d-glucitol
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	6MZ	n6-methyladenosine-5'-monophosphate
+c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F	6N0	n-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide
+c1cc2c(cc1C(=O)NN)[nH]c(n2)NCCN3CCOCC3	6N1	2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazole-6-carbohydrazide
+[H]/N=C(/N)\Nc1ccc2c(c1)nc([nH]2)NCCN3CCOCC3	6N2	n-(2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazol-5-yl)guanidine
+CC(C)CCOc1c(ccc(n1)N2C[C@@H]3[C@H](C2)C3C(=O)O)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O	6N3	(1~{r},5~{s})-3-[6-(3-methylbutoxy)-5-[[(1~{r},3~{s})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
+c1ccc2c(c1)[nH]c(n2)SCCO	6N4	2-(1h-benzimidazol-2-ylsulfanyl)ethanol
+CC1=C2C=CCC=C2C=C1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N[C@@H](Cc4ccccc4)[C@H]([C@H](C)CO)O	6N5	~{n}-[(2~{s})-1-[[(2~{s})-3-(4-methoxyphenyl)-1-[[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{h}-indene-2-carboxamide
+c1cc(sc1)c2nnc(s2)N	6N6	5-(2-thienyl)-1,3,4-thiadiazol-2-amine
+c1ccc(cc1)C(CCNC(=O)n2cccc2)c3ccccc3	6N8	n-(3,3-diphenylpropyl)pyrrolidine-1-carboxamide
+CCCS(Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OC)F)(O)O	6N9	(3-{[dihydroxy(propyl)-lambda~4~-sulfanyl]amino}-2,6-difluorophenyl)[5-(4-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-3-yl]methanone
+CCCCCC(=O)O	6NA	hexanoic acid
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OCCOCCOCCOc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(=O)(=O)CCC)F)F	6NB	n,n'-{ethane-1,2-diylbis[oxyethane-2,1-diyloxy-4,1-phenylene-1h-pyrrolo[2,3-b]pyridine-5,3-diylcarbonyl(2,4-difluoro-3,1-phenylene)]}di(propane-1-sulfonamide)
+CCCS(Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)CNC(=O)COCC(=O)NCc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(CCC)(O)O)F)F)(O)O	6NC	2,2'-oxybis[n-({4-[3-(3-{[dihydroxy(propyl)-lambda~4~-sulfanyl]amino}-2,6-difluorobenzene-1-carbonyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]phenyl}methyl)acetamide]
+Cc1c(ncc(n1)C(=O)NCc2cnc(s2)C)CNS(=O)(=O)c3ccc(c(c3)F)F	6ND	5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
+c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	6NE	(1s)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]-d-glucitol
+c1cnccc1c2cc(n[nH]2)NCC3CCCCC3	6NF	n-(cyclohexylmethyl)-3-(4-pyridyl)-1h-pyrazol-5-amine
+C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C	6NG	n~2~-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-[(2r)-2,3,3-trimethylbutyl]-l-leucinamide
+[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3c(c([nH]n3)c4ccccc4)O)/N	6NH	2-(4-hydroxy-5-phenyl-1h-pyrazol-3-yl)-1h-benzoimidazole-5-carboxamidine
+c1cc2cn[nH]c2cc1[N+](=O)[O-]	6NI	6-nitroindazole
+c1ccc(cc1)CCc2c3ccccc3[nH]n2	6NJ	3-(2-phenylethyl)-1h-indazole
+c1cc2c(cc1C(=O)N)[nH]c(n2)NCCN3CCOCC3	6NK	2-{[2-(morpholin-4-yl)ethyl]amino}-1h-benzimidazole-6-carboxamide
+C/C(=C\c1ccc(c(c1)O)OC)/C(=O)c2cc3c(c(c2)OC)OCO3	6NL	(2e)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2h-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one
+c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3	6NM	4-[5-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-yl]pyridine
+CC[C@@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	6NN	p-((((benzyloxy)carbonyl)amino)methyl)-n-((s)-4-methyl-1-(((r)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid
+Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)O[C@@H]2[C@H](O[C@H](C[C@H]2O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H](C[C@]5(O4)C)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)C)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@@]([C@H](O1)C)(C(=O)C)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C	6NO	avilamycin
+c1ccc(cc1)C[C@H]2C[N@@](CCN2)c3cc(c(nn3)c4ccc5ccccc5c4)c6ccncc6	6NP	6((s)-3-benzylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyrazine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)Br)N	6NQ	2'-bromo-2'-deoxyadenosine 5'-[beta,gamma-imide]triphosphoric acid
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)C#N	6NR	(2~{s})-2-azanyl-4-[[(2~{s},3~{s},4~{r},5~{r})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
+CC(C)(C)[C@@H](CC(=O)O)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)F)F	6NS	(3~{r})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid
+c1cc2c(cc1[N+](=O)[O-])[nH]nn2	6NT	6-nitrobenzotriazole
+CC1(CCC1)[C@@H](CC(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cn4)F)F	6NU	(3~{r})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid
+CC1=C2C=CCC=C2C=C1C(=O)N[C@H](C)C(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N[C@@H](Cc4ccccc4)[C@H]([C@H](C)CO)O	6NV	~{n}-[(2~{r})-1-[[(2~{s})-3-(4-methoxyphenyl)-1-[[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{h}-indene-2-carboxamide
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)S)O	6NW	2'-o-methyl-5'-o-thiophosphonoadenosine
+CNC(=O)NC1CCCCC1	6NX	1-cyclohexyl-3-methyl-urea
+C[C@@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)NO)O	6NY	3-{2-(hydroxyamino)-5-[(1s)-1-hydroxyethyl]phenoxy}-n,n-dimethylbenzamide
+CCCC1=CC(=CNC1=O)C2CCCCC2	6NZ	5-cyclohexyl-3-propyl-1h-pyridin-2-one
+CCCCN1C=CN(C1=[Au]Cl)C	6O0	(1-butyl-3-methyl-1,3-dihydro-2h-imidazol-2-ylidene)(chloro)gold
+Cc1cc(cc(c1C(=O)O[C@@H]2CO[C@]3([C@H]4[C@H]2OCO4)O[C@H]5CO[C@H]([C@@H]([C@@H]5O3)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)COC)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)OC)O[C@H]8[C@H]([C@@]9([C@@H]([C@H](O8)C)O[C@@]1(O9)C[C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)O[C@@H]1C[C@@](C(C(O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)OC)O)O	6O1	evernimicin
+C#Cc1cccc(c1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)N)O)O	6O2	[(2~{r},3~{s},4~{r},5~{r})-5-[6-[(3-ethynylphenyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate
+Cc1ccc(cc1)c2c(c3cncnc3s2)CP(=O)(O)O	6O3	{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-5-yl]methyl}phosphonic acid
+c1cc(oc1)CCC(=O)O	6O5	3-(furan-2-yl)propanoic acid
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)OC)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O)O	6O6	plicamycin, mithramycin analogue mtm sa-trp
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)N[C@@H](Cc4ccccc4)C(=O)OC)OC)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O	6O7	plicamycin, mithramycin analogue mtm sa-phe
+CCCCCC(=O)O[C@@H](COC(=O)CCCC)COP(=O)(O)OCC[N+](C)(C)C	6O8	(4r,7s)-4-hydroxy-n,n,n-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium
+CCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)C	6O9	(2s)-2-(acetyloxy)-3-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
+C(/C=C/C=C(/C(=O)O)\O)O	6OA	(2z,4e)-2,6-dihydroxyhexa-2,4-dienoic acid
+CCCCC\C=C/C[C@@H](\C=C\CC(=O)CCCCC(=O)O)O	6OB	(8e,10s,12z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid
+CCCCC\C=C/C\C=C/[C@@H](CC(=O)CCCCC(=O)O)O	6OC	(8r,9z,12z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid
+C(=C/C=O)\C=C(/C(=O)O)\N	6OD	(2e,4e)-2-amino-6-oxohexa-2,4-dienoic acid
+CCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCC	6OE	(2s)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
+COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6OG	6-o-methyl guanosine-5'-monophosphate
+C(=C/C=O)\C=C(/C(=O)O)\O	6OH	(2e,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid
+Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NCC3	6OJ	7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2h-pyrido[3,4-b]indol-1-one
+c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)CCO	6OK	6-amino-2-({2-[4-(2-hydroxyethyl)phenyl]ethyl}amino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[As](O)O	6OL	methylarsonous acid
+C/C(=C/CO)/CO	6OM	(2z)-2-methylbut-2-ene-1,4-diol
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C	6ON	2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{n}-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O	6OO	2'-o-methyl-5'-o-thiophosphonocytidine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)/C=C/P(=O)(O)O)O)OCCOC	6OP	1-[(5e)-5,6-dideoxy-2-o-(2-methoxyethyl)-6-phosphono-beta-d-ribo-hex-5-enofuranosyl]-5-methylpyrimidine-2,4(1h,3h)-dione
+B1(C=CC=CN1)CC	6OQ	2-ethyl-1,2-dihydro-1,2-azaborinine
+c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O	6OR	3,5-dichloro-4-hydroxybenzene-1-sulfonic acid
+c1nc(c2c(n1)n(cn2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N	6OS	neplanocin-a
+c1c(cc(cc1Cl)Cl)S(=O)(=O)N	6OT	3,5-dichlorobenzene-1-sulfonamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC	6OU	[(2~{r})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{z})-octadec-9-enoate
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)/N	6OV	3-cyclohexyl-d-alanyl-n-[(4-carbamimidoylphenyl)methyl]-l-prolinamide
+Cc1ccn2c(c1)nc(c2c3ccn[nH]3)C	6OW	2,7-dimethyl-3-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridine
+CC(C)(c1cn(c(n1)C(C)(C)c2c(cccc2Cl)Cl)c3ccc(cc3F)c4cc(c(c(c4)S(=O)(=O)C)CO)F)O	6OX	2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl] phenyl]imidazol-4-yl]propan-2-ol
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C)c4ccccc4	6OY	ethyl (4r)-4-[[(2s,4s)-1-[(2s)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
+Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)(C)c3ccccc3	6OZ	2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1h-pyrazol-5-yl]-1,3-thiazole
+Cc1c(cn(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC	6P0	5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'h,2h-3,4'-bipyrazole
+Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccc(cc3)OC	6P1	5-{3-[(1r)-1-(4-methoxyphenyl)ethyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
+Cc1c(sc(n1)C)c2cc(n[nH]2)C3(CC3)c4ccc(cc4)OC	6P2	5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
+c1ccc(cc1)c2ccc(cn2)C(=O)O	6P3	6-phenylpyridine-3-carboxylic acid
+Cc1ccc2nc(c(n2c1)c3ccn[nH]3)C	6P4	2,6-dimethyl-3-(1h-pyrazol-5-yl)imidazo[1,2-a]pyridine
+Cc1ccc(cc1)c2nc(c(s2)c3ccn[nH]3)C	6P5	4-methyl-2-(4-methylphenyl)-5-(1h-pyrazol-5-yl)-1,3-thiazole
+CC(=O)c1ccc2c(c1)ncnc2Nc3ccccc3	6P6	1-(4-phenylazanylquinazolin-7-yl)ethanone
+CC(=O)Nc1ccc2c(c1)ncnc2Nc3ccccc3	6P8	~{n}-(4-phenylazanylquinazolin-7-yl)ethanamide
+c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6	6P9	[2-(phenylamino)-1,4-phenylene]bis({4-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}methanone)
+c1cc(cc(c1)Br)c2c3c(nc[nH]3)nc(n2)N	6PB	6-(3-bromophenyl)-7h-purin-2-amine
+c1ccnc(c1)C(=O)O	6PC	pyridine-2-carboxylic acid
+c1cc(ccc1Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6)OCN7CCCC7	6PD	[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-[4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]carbonyl-3-[[4-(pyrrolidin-1-ylmethoxy)phenyl]amino]phenyl]methanone
+CCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCC	6PE	1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine
+COc1c(cc(cn1)c2cc3cocc3c(c2)NC(=O)CN4CCOCC4)NS(=O)(=O)C	6PF	n-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide
+C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O	6PG	6-phosphogluconic acid
+CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O	6PH	(1r)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate
+CCCOCCOCCOCCCNC(=O)CCCCN\1c2ccc3c(c2C(/C1=C/C=C\C/C=C/4\C(c5c(ccc6c5cc(cc6S(=O)(=O)O)S(=O)(=O)O)N4CC)(C)C)(C)C)cc(cc3S(=O)(=O)O)S(=O)(=O)O	6PJ	cy5.5-peg2
+[H]/N=C(\c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N	6PK	o-benzyl-n-(benzylsulfonyl)-d-seryl-n-[(4-carbamimidoylphenyl)methyl]glycinamide
+CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C	6PL	(4s,7r)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide
+Cc1c(cn(n1)C)c2cc(n[nH]2)[C@@H](C)c3ccc(cc3)OC	6PM	5-[(1s)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'h,2h-3,4'-bipyrazole
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2	6PN	5-hexyl-2-phenoxyphenol
+CCCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	6PO	9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-propoxy-9h-purin-2-amine
+CC/C(=C\Cc1cccc(c1O)O)/C	6PP	3-[(2z)-3-methylpent-2-en-1-yl]benzene-1,2-diol
+Cc1c(sc(n1)C)c2cc(n[nH]2)Cc3ccc(cc3)OC	6PQ	5-{3-[(4-methoxyphenyl)methyl]-1h-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
+C([C@@H](C(=O)N)NC(=O)CP(=O)(O)O)C(=O)O	6PR	(s)-4-amino-4-oxo-3-(2-phosphonoacetamido)butanoic acid
+Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccccc3	6PS	2,4-dimethyl-5-{3-[(1r)-1-phenylethyl]-1h-pyrazol-5-yl}-1,3-thiazole
+CCN1C(=O)C(=C(C(=N1)c2ccccc2)C(=O)C)Nc3ccc(cc3)C(=O)O	6PT	4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid
+CN(C)[C@H]1CN(C[C@@H]1c2ccc(cc2)N3CCN(CC3)S(=O)(=O)C)[C@H]4CCc5c4c(ccc5)F	6PU	(3r,4s)-1-[(1s)-7-fluoro-2,3-dihydro-1h-inden-1-yl]-n,n-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine
+COc1cccc(c1)Nc2ncc(c(n2)OCC3CCNCC3)c4ccc(cc4)C(=O)NCC(=O)Nc5ccccc5	6PV	4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-n-[2-oxo-2-(phenylamino)ethyl]benzamide
+Cc1cccc2c1nc(cc2)N3CC[C@@H](C(C3)(C)C)C(=O)N[C@H]4CCO[C@@H](C4)CO	6PW	1,5-anhydro-2,3,4-trideoxy-3-{[(4s)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-d-erythro-hexitol
+[H]/N=C(/N)\NCCC[C@@H](C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)OC)N	6PX	methyl n-[4-amino-3-(l-arginylamino)benzene-1-carbonyl]-l-tyrosinate
+[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC(=O)NCCOC)C(=O)O	6PY	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-[(2-methoxyethyl)carbamoyl]-d-glycero-d-galacto-non-2-enon  ic acid
+C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)NC(=O)C)NC(=O)C)O	6PZ	5,7-bisacetamido-3,5,7,9-tetradeoxy-l-glycero-alpha-l-manno-non-2-ulopyranosonic acid
+Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3ccccc3	6Q0	~{n}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide
+CN1CCN(CC1)Cc2ccc(cc2)c3cn4c5c3cnc(n5)NCCCCC(=O)NCCC4	6Q1	15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3h)-one
+COc1cccc(c1)Nc2cc(nc3c2C(=O)NCC3)c4ccccc4	6Q2	4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6h)-one
+Cc1cc(nc(n1)N)OCCCO	6Q3	3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropan-1-ol
+CC(C)NC(=O)[C@H]1CCC[C@H]1Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)N(C)C4CCN(CC4)C)C(F)(F)F	6Q4	n-methyl-n-(1-methylpiperidin-4-yl)-4-{[4-({(1r,2s)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	6Q5	ursolic acid 
+C[C@@H]1C[C@@H](CN(C1)C(=O)C[C@@H](c2ccc3c(c2)OCO3)c4c(cc(cc4OC)OC)O)C	6Q6	(3s)-3-(2h-1,3-benzodioxol-5-yl)-1-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
+CC(C)(C)c1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)c4ccc(cc4)C(=O)O	6Q7	4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1h-pyrazol-3-yl}benzoic acid
+Cc1c(c([nH]c1C(=O)Nc2ccc(cc2)F)C)S(=O)(=O)Nc3ccc4c[nH]nc4c3	6Q8	~{n}-(4-fluorophenyl)-4-(2~{h}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{h}-pyrrole-2-carboxamide
+Cc1c(c(n[nH]1)C)S(=O)(=O)Nc2ccc3c[nH]nc3c2	6Q9	~{n}-(2~{h}-indazol-6-yl)-3,5-dimethyl-1~{h}-pyrazole-4-sulfonamide
+C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)(O)O)O)O)O	6QA	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 5-[(2~{r},3~{r},5~{r},6~{s})-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxypentanethioate
+Cn1c(ccn1)Nc2nccc(n2)C3=CC(=O)N(C=C3)[C@H](CO)c4ccc(c(c4)F)Cl	6QB	1-[(1~{s})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
+C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C	6QC	~{n}-[(2~{s})-1-[[(2~{r})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+c1nc2c(n1CCCCCP(=O)(O)O)NC=NC2=O	6QD	5-(6-oxidanylidene-3~{h}-purin-9-yl)pentylphosphonic acid
+Cc1c(c(on1)COc2cccc(c2F)F)c3ccc(cc3)CNS(=O)(=O)C4(CC4)C	6QE	~{n}-[[4-[5-[[2,3-bis(fluoranyl)phenoxy]methyl]-3-methyl-1,2-oxazol-4-yl]phenyl]methyl]-1-methyl-cyclopropane-1-sulfonamide
+c1ccc2c(c1)nc3cccc(c3n2)O	6QF	phenazin-1-ol
+Cc1c-2c(on1)COc3cccc(c3)CCCS(=O)(=O)NCc4ccc2cc4	6QG	3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene-17,17-dione
+COc1ccc(cc1Cl)c2c(nco2)C(=O)NCCCn3cncn3	6QH	5-(3-chloranyl-4-methoxy-phenyl)-~{n}-[3-(1,2,4-triazol-1-yl)propyl]-1,3-oxazole-4-carboxamide
+Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(c(c3)O)F	6QJ	(4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone
+COc1cc(nc(n1)Sc2cccc(c2C(=O)O)Cl)OC	6QK	2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid
+COc1cc(nc(n1)Oc2cccc(c2C(=O)O)Oc3nc(cc(n3)OC)OC)OC	6QL	2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
+CCc1cc(c(cc1O)O)c2c(snn2)c3ccc(cc3)OCC	6QM	4-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-6-ethylbenzene-1,3-diol
+CCNC(=O)C1=C(c2ccncc2NC1=O)O	6QN	~{n}-ethyl-4-oxidanyl-2-oxidanylidene-1~{h}-1,7-naphthyridine-3-carboxamide
+c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3)O)F	6QO	(4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone
+c1cc(c(c(c1)Cl)C(=O)Nc2ccc3c(c2)N(C[C@@H](O3)CO)S(=O)(=O)c4ccc(cc4)F)F	6QP	2-chloranyl-6-fluoranyl-~{n}-[(2~{r})-4-(4-fluorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide
+[B-]1(c2ccc(cc2CO1)Oc3c(cc(c(n3)OCCCC(=O)C)C#N)Cl)(O)O	6QQ	6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile
+C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@H](C)O)C(=O)O)Sc2c[nH]c3c2cccc3	6QR	(2~{s},3~{r},4~{r})-4-(1~{h}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{s},3~{s})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CCn1c2ccccc2c3c1ccc(c3)[C@@H]4C5=C(CCCC5=O)NC(=C4C(=O)OC[C@H]6CCCO6)C	6QS	[(2~{r})-oxolan-2-yl]methyl 4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{h}-quinoline-3-carboxylate
+c1cc(cc(c1)O)[C@H]2CC(=O)c3cc(ccc3O2)O	6QT	(2~{r})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one
+c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3O)O)F	6QU	[4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone
+c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)[N+](=O)[O-]	6QV	(4-nitrophenoxy)-phenyl-phosphinic acid
+Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)CN(CC(C)C)S(=O)(=O)Cc3ccccc3	6QW	~{n}-[[3-methyl-4-(4-methylsulfonylphenyl)phenyl]methyl]-~{n}-(2-methylpropyl)-1-phenyl-methanesulfonamide
+CN(C)C1CCC(CC1)Nc2c3c4c(sc3ncn2)CCC4	6QX	~{n}1-(7,8-dihydro-6~{h}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{n}4,~{n}4-dimethyl-cyclohexane-1,4-diamine
+CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4	6QY	~{n}4,~{n}4-dimethyl-~{n}1-[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
+CN1[C@H]2CCN(C[C@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6	6QZ	(3~{a}~{r},7~{a}~{s})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one
+CN1[C@@H]2CCN(C[C@@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6	6R0	(3~{a}~{s},7~{a}~{r})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one
+c1c(c2c([nH]1)ncnc2NC3CCC(CC3)N4CCOCC4)C5CCOCC5	6R1	~{n}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(=CCC/C(=C/CC/C(=C/COP(=O)(C(P(=O)(O)O)(Cl)Cl)O)/C)/C)C	6R2	[bis(chloranyl)-[oxidanyl-[(2~{e},6~{e})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid
+C=CC(=O)C(=C)N	6R3	2-azanylpenta-1,4-dien-3-one
+CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC	6R4	methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate
+Cc1c(c(cs1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C	6R5	methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate
+c1cc(c(cc1[N+](=O)[O-])C(=O)O)N	6R6	5-nitroanthranilic acid
+c1cc(c(cc1[N+](=O)[O-])C(=O)O)O	6R7	5-nitrosalicylic acid
+C1C=C(C=C([C@]1(N)O)C(=O)O)[N+](=O)[O-]	6R8	(6~{r})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid
+CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6R9	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate
+COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)NCc5ccccc5)C3	6RB	1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{n}-(phenylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide
+COCCn1cc(cn1)c2cnc(c3n2cc(n3)COc4ccc5ccccc5n4)N6CCOCC6	6RC	4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
+Cn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5c[nH]c6c5cccc6	6RD	5-(1~{h}-indol-3-ylmethyl)-1-methyl-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCNC(=[NH2+])N)O)O)N	6RE	[[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]-azanyl-methylidene]azanium
+C[C@@H](c1c(c(c2cc(ccc2n1)F)C(=O)N3CCNCC3)c4ccccc4)Nc5c(c(ncn5)N)C#N	6RF	4-azanyl-6-[[(1~{s})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
+c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccccc4)N	6RG	2-phenyl-n~4~-(2-phenylethyl)quinazoline-4,7-diamine
+c1nc2c(n1CCCCP(=O)(O)O)N=CNC2=O	6RH	4-(6-oxidanylidene-1~{h}-purin-9-yl)butylphosphonic acid
+c1cc(ccc1c2cnc(cc2CO)C(F)(F)F)C3(COC3)C(=O)Nc4ccc(cc4)F	6RI	n-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide
+c1cc(c(cc1S(=O)(=O)Nc2nccs2)C#N)Oc3ccc(cc3c4c[nH]nc4)Cl	6RJ	4-[4-chloranyl-2-(1~{h}-pyrazol-4-yl)phenoxy]-3-cyano-~{n}-(1,3-thiazol-2-yl)benzenesulfonamide
+C1CC(CCC1C(=O)O)N	6RK	4-azanylcyclohexane-1-carboxylic acid
+CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N	6RL	2-[[6-[(3~{r})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile
+CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@@H]4C[C@H]4CO	6RM	7-[(4-fluoranylphenoxy)methyl]-3-[(1~{r},2~{r})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
+COc1ccc(cc1)NCc2ccccn2	6RN	4-methoxy-n-[(pyridin-2-yl)methyl]aniline
+CS(=O)(=O)Nc1ccc(cc1)Cl	6RO	~{n}-(4-chlorophenyl)methanesulfonamide
+c1cnn(c1)C(C(=O)O)n2cccn2	6RP	bis(pyrzol-1-yl)acetate scorpionate
+Cc1cc2c(cc1C)nc([nH]2)N	6RQ	5,6-dimethyl-1~{h}-benzimidazol-2-amine
+Cc1c(cccn1)N[C@@H]2CCCS(=O)(=O)C2	6RR	~{n}-[(3~{r})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
+Cc1c(cccn1)N[C@@H](C)c2ccc3c(c2)OCCCO3	6RS	~{n}-[(1~{s})-1-(3,4-dihydro-2~{h}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine
+c1ccc(cc1)n2cccc2c3nc(nc(n3)N4CC4)N5CC5	6RT	2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine
+CN(C)c1nc(nc(n1)N(C)C)c2cccn2c3ccccc3	6RU	~{n}2,~{n}2,~{n}4,~{n}4-tetramethyl-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine-2,4-diamine
+c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)[C@@H]4C[C@H]4C#N)C(F)(F)F	6RV	(1~{r},2~{r})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile
+Cc1c(cccn1)NC2CCC[C@@H]2S(=O)(=O)C	6RW	2-methyl-~{n}-[(2~{s})-2-methylsulfonylcyclopentyl]pyridin-3-amine
+CCN1C2=C([C@@H](C3=C(N2)COC3=O)c4ccc(cc4)C)C(=O)NC1=O	6RX	(5~{s})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{h}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione
+Cc1c(cccn1)N[C@@H](C)c2ccc3c(c2)OCCO3	6RY	~{n}-[(1~{s})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine
+Cc1c(cccn1)N[C@H](C)CS(=O)(=O)C	6RZ	2-methyl-~{n}-[(2~{r})-1-methylsulfonylpropan-2-yl]pyridin-3-amine
+Cc1c(cccn1)N[C@@H](C)c2cc3c(ccs3)nc2	6S0	2-methyl-~{n}-[(1~{s})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine
+c1ccc(cc1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)C6(CCC6)N	6S1	3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COS(=O)(=O)O)O)O	6S2	methyl 2-acetamido-2-deoxy-6-o-sulfo-beta-d-glucopyranoside
+Cn1c(cc2c1nc(cc2Cl)C(=O)N)c3ccc(cc3)N4CCN(CC4)C	6S3	4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide
+CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1	6S4	(3~{s})-~{n}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
+c1ccc2c(c1)C[C@H](NC2)C(=O)N3CCC(CC3)C(=O)NCc4ccco4	6S5	(s)-n-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide
+C(CCCCN=[N+]=[N-])CCCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O	6S6	(1~{s},2~{r},3~{s},4~{s},5~{s},6~{r})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid
+CN(C)CCOc1cc(cnc1)N2C[C@@H]3C[C@H](C2)CNC3	6S7	2-((5-(3,7-diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-n,n-dimethylethanamine
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O	6S8	(~{z})-~{n}-[(~{e},2~{s},3~{r})-1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide
+Cc1cc(ccn1)c2c3cnc(cc3[nH]n2)NC(=O)NCc4ccccc4	6S9	1-[3-(2-methylpyridin-4-yl)-1~{h}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO	6SA	acarbose derived hexasaccharide
+C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	6SB	taurodeoxycholate
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4ccncc4	6SC	3-bromo-5-phenyl-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+COc1ccc(cc1)c2cc([nH]n2)N	6SD	3-(4-methoxyphenyl)-1~{h}-pyrazol-5-amine
+[SeH][Se][SeH]	6SE	triselane
+c1cc(c(cc1OCCN)Cl)Cl	6SF	2-[3,4-bis(chloranyl)phenoxy]ethanamine
+C(C[C@@H](N/C(=C\SCC(=O)NCC12C3=C4[Fe]3156789(C4=C52)C1C6=C7C8=C91)/C(=O)NCC(=O)O)O)[C@@H](C(=O)O)N	6SG	s-[n-(ferrocenylmethyl)carbamoylmethyl]-glutathione
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N)N	6SH	5-azanyl-~{n}-[[4-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+c1cc(cc(c1)Cl)[C@H]2[C@H]3[C@H](CCN3CC(=O)O)N([C@]24c5ccc(cc5NC4=O)Cl)CC6CC6	6SJ	2-[(3~{s},3'~{a}~{s},6'~{s},6'~{a}~{s})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{h}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{h}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid
+CC(C)(C)CN1C[C@H]([C@@H]([C@@]12c3ccc(cc3NC2=O)Cl)c4cccc(c4)Cl)N	6SK	(3~{s},3'~{s},4'~{s})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{h}-indole-3,2'-pyrrolidine]-2-one
+c1ccc2c(c1)[nH]c(n2)c3cccnc3	6SL	2-pyridin-3-yl-1~{h}-benzimidazole
+c1c(c(ncn1)C(=O)O)Cl	6SM	5-chloranylpyrimidine-4-carboxylic acid
+c1cc(c(cc1c2cc(n[nH]2)N)Cl)Cl	6SN	5-(3,4-dichlorophenyl)-1~{h}-pyrazol-3-amine
+c1cc2c(cc1Cl)c(c[nH]2)CCN	6SO	2-(5-chloranyl-1~{h}-indol-3-yl)ethanamine
+C1CNC[C@H]1O	6SP	(3s)-pyrrolidin-3-ol
+CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(c3)Cl	6SQ	1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone
+c1cc2c(cc1C(=O)N3CCN(CC3)c4ccc5c(c4)CCC5=O)OCO2	6SR	5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one
+CCOc1cccc(c1)CN2[C@H]([C@H]([C@@H]([C@@]23c4ccc(cc4NC3=O)Cl)c5cccc(c5F)Cl)N)C	6SS	(3~{s},3'~{s},4'~{s},5'~{s})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{h}-indole-3,2'-pyrrolidine]-2-one
+c1cc(c(c(c1)Cl)F)[C@H]2[C@H]3[C@H](C[C@@H](N3)c4ccc(cc4)C(=O)O)N([C@]25c6ccc(cc6NC5=O)Cl)CC7CC7	6ST	4-[(2~{r},3~{a}~{s},5~{s},6~{s},6~{a}~{s})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{h}-indole]-2-yl]benzoic acid
+COC(=O)c1cccc(c1)NS(=O)(=O)C	6SU	methyl 3-(methylsulfonylamino)benzoate
+C1CCC(CC1)NC(=O)NC[C@H]2CCCO2	6SV	1-cyclohexyl-3-[[(2~{r})-oxolan-2-yl]methyl]urea
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N=CNC2=O	6SW	inosine-3',5'-cyclic monophosphate
+c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O	6SX	purine riboside-3',5'-cyclic monophosphate
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O1)O	6SY	uridine-3',5'-cyclic monophosphate
+c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O	6SZ	2-aminopurine riboside-3',5'-cyclic monophosphate
+CC(C)Cn1cnc2c1c3ccccc3nc2N	6T0	1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
+c1ccc(c(c1)c2cc(ccn2)C(=O)NCCCN3CCCC3)OC4CN(C4)CCc5ccc(c(c5)Cl)Cl	6T1	2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
+CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N	6T2	1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1h-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine
+c1cc2cc(c1)-c3ccnc(n3)Nc4ccc(c(c4)COC/C=C/COC2)OCCN5CCCC5	6T3	11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene
+Cc1csc(n1)NC(=O)C	6T4	~{n}-(4-methyl-1,3-thiazol-2-yl)ethanamide
+CC1=NNC(=O)N=C1Nc2ccc(cc2)C(C)C	6T5	6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{h}-1,2,4-triazin-3-one
+C[C@]1(NC(=C(N1)N)c2ccccc2)c3cccc(c3)c4cccnc4	6T6	(2r)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1h-imidazol-4-amine
+c1cc(cnc1)C2=NN(C(=O)C=C2)CCC(=O)O	6T7	3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid
+[H]/N=C(/N)\NCCC[C@@H](B1OCC(CO1)O)NC(=O)[C@H](Cc2ccc(cc2)CN)NC(=O)c3ccccc3	6T8	n-((s)-3-(4-(aminomethyl)phenyl)-1-(((r)-4-guanidino-1-(5-hydroxy-1,3,2-dioxaborinan-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide
+CCOc1ccc(nc1)C(=O)Nc2ccc(c(c2)[C@@]3(C(COC(=N3)N)(F)F)C)F	6T9	5-ethoxy-pyridine-2-carboxylic acid [3-((r)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4h-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
+CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N3Cc4ccncc4C3	6TA	~{tert}-butyl (2~{s})-2-[(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylcarbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)N(C)c4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C	6TB	4-[[(7~{r})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{h}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{n}-(1-methylpiperidin-4-yl)benzamide
+CC(C)Oc1ccc(cc1)CN(CCC(=O)N)C(=O)c2cnn(c2c3ccc4c(c3)ccs4)Cc5ccccc5	6TC	~{n}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{n}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
+COc1ccc(cc1)Cc2nnc3n2nc(s3)c4cc5ccccc5[nH]4	6TD	2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1h-indole
+CN(c1c2cc[nH]c2ncn1)C3CC(C3)NS(=O)(=O)C	6TE	~{n}-[3-[methyl(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
+C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O	6TF	n-[(4-fluorophenyl)methyl]-2-{(1r)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'h-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-n-[(2s)-1,1,1-trifluoropropan-2-yl]acetamide
+Cc1cc(cc(c1OC)C)[C@]2(N=C(C(=N2)N)C)c3cccc(c3)c4cncnc4	6TG	(2s)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2h-imidazol-4-amine
+c1cc(c(cc1Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)CO	6TH	(2~{s})-1-[(2~{r})-2-azanyl-3-cyclohexyl-propanoyl]-~{n}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
+c1ccc(cc1)N2Cc3cccc(c3C2=O)C(=O)O	6TJ	3-oxidanylidene-2-phenyl-1~{h}-isoindole-4-carboxylic acid
+c1ccc2c(c1)c(c[nH]2)CCN3CCN(CC3)c4ccccc4c5cc(cnc5)C(=O)NCCCN6CCCC6	6TL	5-[2-[4-[2-(1~{h}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
+c1ccc(c(c1)c2cc(c3c[nH]nc3n2)C(=O)NCCCN4CCCC4)N5CCN(CC5)CCc6ccc(c(c6)Cl)Cl	6TM	6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{n}-(3-pyrrolidin-1-ylpropyl)-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxamide
+CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C	6TN	[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{h}-pyrido[4,3-d]pyrimidin-6-yl)methanone
+c1cc(ccc1/C=C/C(=O)O[C@@H]2C=C(C[C@H]([C@@H]2O)O)C(=O)O)O	6TO	(3~{r},4~{s},5~{r})-3-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid
+CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(s2)c(cnc3N)C(=O)NC	6TP	4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-n-methylthieno[3,2-c]pyridine-7-carboxamide
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccnc(c3)C#CCCNC(=O)O[C@@H]4CCC/C=C\CC4)Cl	6TS	[(1~{r},4~{z})-cyclooct-4-en-1-yl] ~{n}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3cc(cnc3)OC)C(F)(F)F	6TT	~{n}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide
+COc1cccc(c1)N2[C@H](c3cccc(c3C2=O)C(=O)O)CC=C	6TU	(1~{s})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{h}-isoindole-4-carboxylic acid
+CCCNCCNS(=O)(=O)c1cccc2c1ccnc2	6TV	~{n}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide
+CC(=O)Nc1cc2ccccc2cc1NC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(O)O)O)C(=O)N3	6TW	[(2~{r},3~{s},5~{r})-5-[2-[(3-acetamidonaphthalen-2-yl)amino]-6-oxidanylidene-1~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
+CCCN(CC[NH3+])S(=O)(=O)c1cccc2c1ccnc2	6TX	2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium
+C[C@@H]1CNCCN1S(=O)(=O)c2cccc3c2ccnc3	6TY	5-[(2~{r})-2-methylpiperazin-1-yl]sulfonylisoquinoline
+c1cc(cc(c1)F)c2cc[nH]n2	6TZ	3-(3-fluorophenyl)-1h-pyrazole
+c1ccc(cc1)c2[nH]c(cn2)Cn3cc(nn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	6U0	[(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[1-[(2-phenyl-1~{h}-imidazol-5-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate
+CS(=O)(=O)Nc1cccc(c1)CC(=O)Nc2nc(cs2)c3c[nH]c4c3cccn4	6U1	2-[3-(methylsulfonylamino)phenyl]-~{n}-[4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide
+CN1CCN(CC1)CCCOc2cccc(c2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5	6U2	2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{n}-[4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide
+Cc1c2c(sc1c3ncco3)N(C(=O)N(C2=O)C(C)(C)C(=O)N)C[C@@H](c4ccccc4OC)OC5CCOCC5	6U3	2-[1-[(2~{r})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide
+C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	6U4	[[(2r,3s,5r)-5-(6-azanyl-2-oxidanylidene-1h-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C	6U5	~{n}-(1-methylindazol-6-yl)butane-1-sulfonamide
+c1cc2c(cc1Cl)nc(s2)CCC(=O)O	6U6	3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid
+Cc1cc(ccc1Nc2c3cc(c(cc3ncn2)OC)OC)Oc4ccccc4	6U7	6,7-dimethoxy-~{n}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine
+CC(C)[C@@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccccc2Br	6U8	(2~{r})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile
+CC1=C([C@@H](C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC	6U9	nimodipine
+C1C(=NC(=O)NC1=O)N	6UA	6-aminopyrimidine-2,4(3h,5h)-dione
+CCOC(=O)C1=C(NC(=C([C@@H]1c2ccccc2Cl)C(=O)OC)C)COCCN	6UB	amlodipine
+CCOC(=O)C1=C(NC(=C([C@H]1c2ccccc2Br)C(=O)OC)C)COCCN(C)C	6UC	o3-ethyl o5-methyl (4r)-4-(2-bromophenyl)-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CNNN)O)O)C(=O)O)O	6UD	5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-d-glycero-d-galacto-non-2-enonic acid
+Cc1ncc(c(n1)c2ccccc2)NC(=O)NC3c4ccccc4-c5c3cccc5	6UE	1-(9~{h}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea
+c1ccc2c(c1)cc(n2CC(=O)NCc3ccccn3)c4cccs4	6UF	~{n}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide
+Cc1ccc(c(n1)c2ccc(cc2)F)NC(=O)c3ccc(cc3F)C(F)(F)F	6UG	2-fluoranyl-~{n}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide
+Cc1c(c(no1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F	6UH	1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
+COc1ccc2cc(ccc2c1)c3c([nH]cn3)c4ccncc4	6UI	4-[4-(6-methoxynaphthalen-2-yl)-1h-imidazol-5-yl]pyridine
+Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3cccc4c3cccc4	6UJ	1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea
+Cc1ncc(c(n1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F	6UK	1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
+CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC	6UL	tetracosyl palmitate
+Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3ccccn3	6UM	1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea
+C(=C/C(=O)C(=O)O)\C=C\O	6UN	(3~{e},5~{e})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid
+c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCOC(=O)c3cccnc3	6UO	2-[(2~{s})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate
+[H]/N=C(\c1ccc2cccc(c2c1)N)/N	6UP	8-aminonaphthalene-2-carboximidamide
+Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)O[C@@H]2[C@H](O[C@H](C[C@H]2O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H](C[C@]5(O4)C)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)C)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@]([C@H](O1)C)([C@H](C)O)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C	6UQ	(2r,3s,4r,6s)-4-hydroxy-6-{[(2r,3ar,4r,4'r,5's,6s,6'r,7ar)-4'-hydroxy-6-{[(2s,3r,4r,5s,6r)-3-hydroxy-2-{[(2r,3s,4s,5s,6s)-4-hydroxy-6-({(2r,3as,3a'r,6s,6'r,7r,7'r,7ar,7a'r)-7'-hydroxy-7'-[(1s)-1-hydroxyethyl]-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4h-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-5-methoxy-2-(methoxymethyl)tetrahydro-2h-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2h-pyran-4-yl]oxy}-4,6',7a-trimethyloctahydro-4h-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-2-methyltetrahydro-2h-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name)
+c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	6UR	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[2-(1~{h}-indol-3-yl)ethyl]p hosphonamidic acid
+c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	6US	[(2~{r},3~{s},4~{s},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[2-(1~{h}-indol-3-yl)ethyl]phosphonamidic acid
+CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O	6UT	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~ {s})-3-(1~{h}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid
+c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)O	6UU	[2-(1~{h}-indol-3-yl)ethylamino]phosphonic acid
+CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O	6UV	(2~{r})-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
+c1cc2c(c(c1)C(=O)O)C(=O)N(C2)Cc3c(cccc3Cl)F	6UW	2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{h}-isoindole-4-carboxylic acid
+CN(c1ccc(cc1)NC(=O)Nc2ccc(cc2)OC(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N	6UX	1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea
+c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N	6UY	[(1~{r})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate
+C=CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	6UZ	omega-undecylenyl-beta-d-maltopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(=C5)C(=O)N)O)O)O)O)N	6V0	[[(2~{r},3~{s},4~{r},5~{r})-5-(5-aminocarbonyl-2~{h}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)O)N	6V1	(2~{r})-2-azanyl-3-[(3~{r})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid
+[H]/N=C(\c1ccc(cc1)CNC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N	6V2	(2r)-2-(benzylsulfonylamino)-n-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-n-methyl-3-phenyl-propanamide
+CN1CCN(CC1)c2cccc3c2ccc(c3)NC(=O)Nc4ccc(cc4)Oc5ccnc6c5cc[nH]6	6V3	1-(4-((1h-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea
+CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)NC(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C	6V4	n-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide
+CC(C)Oc1cc(ccc1NC(=O)c2csc(n2)c3cccc(c3)C(=O)Nc4ccccc4)C(=O)N5CCN(CC5)C	6V5	n-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCCC=CCCCCCC	6V6	[(2~{s})-3-[[(2~{r})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadec-9-enoyloxy-propyl] hexadecanoate
+B([C@H](CC(C)C)NC(=O)[C@H]([C@H](C)O)NC(=O)c1cccc(n1)c2ccccc2)(O)O	6V7	[(1~{r})-3-methyl-1-[[(2~{s},3~{s})-3-oxidanyl-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]butyl]boronic acid
+B([C@H](CC(C)C)NC(=O)CNC(=O)c1cc(ccc1Cl)Cl)(O)O	6V8	[(1~{r})-1-[2-[[2,5-bis(chloranyl)phenyl]carbonylamino]ethanoylamino]-3-methyl-butyl]boronic acid
+Cc1ncc(s1)C(=O)O	6V9	2-methyl-1,3-thiazole-5-carboxylic acid
+CC(C)([C@@H]([C@H](Cc1ccccc1)N)O)O	6VA	(3~{r},4~{s})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)Br)S(=O)(=O)O)O)S(=O)(=O)O	6VB	bromo-trisulfonatocalix[4]arene
+CC(C)CCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)[C@H]([C@](C)(CO)O)O	6VC	~{n}-[(2~{s})-1-[[(2~{s},3~{r},4~{s})-2,6-dimethyl-1,2,3-tris(oxidanyl)heptan-4-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-6-methyl-heptanamide
+CCc1cc(c2ccccc2n1)O	6VD	2-ethyl-4(1h)-quinolinone
+c1cc(ccc1C[C@@H]([C@H](CO)O)N)O	6VF	(2~{r},3~{s})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol
+CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	6VG	~{s}-[2-[3-[[(2~{r})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate
+C[C@]12CCCC(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)[C@@H]1CC[C@@H]2[C@H](CC#CC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O	6VH	(1~{r},3~{s},5~{z})-5-[2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(6~{r})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+c1ccc(cc1)c2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O	6VJ	phenyl-trisulfonatocalix[4]arene
+C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)C4CC4)c5ccccc5	6VK	(4~{s})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
+CC[C@@]1(c2c[nH]nc2NC3=C1C(=O)CC(C3)(C)C)c4ccccc4	6VL	(4~{s})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
+C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)CC(C)(C)C)c4ccccc4	6VM	(4~{s})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
+C[C@@H]1C[C@@H](CC(C1)(C)C)n2c3ccc(cc3nc2Nc4ccc(cc4)C(C)C)C(=O)O	6VN	2-[(4-propan-2-ylphenyl)amino]-1-[(1~{s},5~{s})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid
+CC(C)C[C@@H]([C@H](C(C)(C)O)O)N	6VO	(3~{r},4~{s})-4-azanyl-2,6-dimethyl-heptane-2,3-diol
+c1cc(c(cc1[N+](=O)[O-])C#N)O	6VP	5-nitro-2-oxidanyl-benzenecarbonitrile
+C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[n+](c6c5NC(=NC6=O)N)C)O)O)S)S)O)O	6VQ	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
+CC(C)CN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C(C)(C)C	6VR	2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{n}-(2-methylpropyl)-~{n}-[(3~{s})-piperidin-3-yl]pyrimidine-5-carboxamide
+CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3cnc(nc3NCCCOC)C(C)(C)C	6VS	2-~{tert}-butyl-4-(3-methoxypropylamino)-~{n}-(2-methylpropyl)-~{n}-[(3~{s},5~{r})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide
+c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O)C4(CCC4)O	6VT	6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{h}-indole-3-carboxylic acid
+CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3nc4ccccc4n3CCCCOC	6VU	1-(4-methoxybutyl)-~{n}-(2-methylpropyl)-~{n}-[(3~{s},5~{r})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide
+C1C[C@H]([C@@H](C1)O)O	6VV	(1~{r},2~{r})-cyclopentane-1,2-diol
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34	6VW	(8~{r},9~{s},10~{r},13~{s},14~{s},17~{s})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{h}-cyclop enta[a]phenanthren-3-one
+c1ccc(cc1)[C@@H](C(=O)Nc2nc3ccccc3s2)S(=O)(=O)O	6VX	(1~{s})-2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethanesulfonic acid
+c1ccc(cc1)[C@@H](C(=O)Nc2ccccc2)S(=O)(=O)O	6VY	(1~{s})-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethanesulfonic acid
+CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccc(c(c2)OC)CN)N3CCc4c(ncnc4OCCC5CC5)C3	6VZ	(2~{s},4~{s})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{h}-pyrido[3,4-d]pyrimidin-7-yl]-~{n}-methyl-pyrrolidine-2-carboxamide
+Cn1c2ccsc2cc1C(=O)Nc3cccc(c3)COC	6W0	~{n}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
+Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC[C@@H]5CCNC5	6W1	4-methyl-~{n}-[2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
+COc1ccc(cc1)S(=O)(=O)Nc2nccs2	6W2	4-methoxy-n-(1,3-thiazol-2-yl)benzenesulfonamide
+Cn1c2ccsc2cc1C(=O)Nc3ccccc3COc4ccc(cc4)OC5CCN(CC5)C	6W3	4-methyl-~{n}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
+c1ccc(cc1)C(CNC(=O)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)CN)n4cc(nn4)C5CC5)c6ccccc6	6W4	(2~{s},4~{s})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{n}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCNC(=O)C=C)O	6W5	[(3~{s})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate
+c1cc(n(c1Cl)c2ccsc2C(=O)O)Cl	6W6	3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid
+c1nc2c(n1[C@@H]3CNC[C@@H]3OCP(=O)(O)O)N=CNC2=O	6W7	[(3~{s},4~{r})-4-(6-oxidanylidene-1~{h}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid
+c1nc2c(n1[C@@H]3CNC[C@@H]3OCP(=O)(O)O)N=C(NC2=O)N	6W8	[(3~{s},4~{r})-4-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)pyrrolidin-3-yl]oxymethylphosphonic acid
+c1nc2c(n1CCN(CCCCP(=O)(O)O)CCP(=O)(O)O)N=CNC2=O	6W9	2-[2-(6-oxidanylidene-1~{h}-purin-9-yl)ethyl-(4-phosphonobutyl)amino]ethylphosphonic acid
+c1c(c2c([nH]1)C(=O)NC=N2)CN(CCCP(=O)(O)O)CCCP(=O)(O)O	6WA	3-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methyl-(3-phosphonopropyl)amino]propylphosphonic acid
+c1nc2c(n1CCN(CCP(=O)(O)O)C[C@@H](CO)O)N=CNC2=O	6WB	2-[[(2~{s})-2,3-bis(oxidanyl)propyl]-[2-(6-oxidanylidene-1~{h}-purin-9-yl)ethyl]amino]ethylphosphonic acid
+c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)N=CNC2=O	6WC	[2-[(6-oxidanylidene-1~{h}-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid
+C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(cc3F)F	6WD	(4~{s},6~{s})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine
+Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3ccc(cc3F)F	6WE	(4~{s},6~{s})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
+c1ccc2c(c1)ccc3c2C=[N+]4NC(=[S-][Fe]4O3)N5CCCCC5	6WF	14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene
+c1ccc(cc1)[C@H]2CCCCN2C=O	6WG	(2~{r})-2-phenylpiperidine-1-carbaldehyde
+COc1cc(ccc1CN)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3c4ccccc4)n5cc(nn5)C6CC6	6WH	(2~{s},4~{s})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{n}-[(1~{s},2~{r})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H](C(=O)O)O)O)O)N=C(NC2=O)N	6WI	3-(guanosine-5'-diphospho)-d-glycerate
+Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)CC4CC4)S(NC5(CC5)C)(O)O	6WJ	1-(cyclopropylmethyl)-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-2,4-dione
+C([C@H]([C@@H](CSSC[C@@H](C(=O)O)N)O)O)S	6WK	(2~{r})-2-azanyl-3-[[(2~{s},3~{s})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid
+Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	6WL	4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccccc5)O	6WM	(8~{r},9~{s},13~{s},14~{s},16~{r},17~{s})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C/C(=C\c5ccccc5)/C2=O)O	6WN	(8~{r},9~{s},13~{s},14~{s},16~{e})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[ a]phenanthren-17-one
+O=[W+4]	6WO	oxo-tungsten(vi)
+c1ccc2c(c1)cccc2OS(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O	6WP	naphthalen-1-yl (1~{s},2~{r},4~{s})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1cc(ccc1C(=C2CCc3c2ccc(c3)Br)c4ccc(cc4)O)O	6WQ	4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol
+c1cc(c(cc1O)Cl)C2=CC[C@H]3[C@@H](C2)CC[C@@H]3O	6WR	(1~{s},3~{a}~{r},7~{a}~{s})-5-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,7,7~{a}-hexahydro-1~{h}-inden-1-ol
+c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)Cl)Cl	6WS	1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene
+c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl	6WT	1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene
+C[C@]12CC=C(C[C@H]1CC[C@@H]2O)c3cc(c(cc3F)O)F	6WU	(1~{s},3~{a}~{r},7~{a}~{s})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O	6WV	(8~{r},9~{s},13~{s},14~{s},17~{s})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2N(C)c5ccccc5)O	6WW	(8~{r},9~{s},13~{s},14~{s},17~{s})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
+CCCN1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	6WX	1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione
+CCN1CCN(CC1=O)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	6WY	1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione
+C[C@@H]1CN(CCN1CC(F)(F)F)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	6WZ	1-[[4-fluoranyl-3-[(3r)-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione
+CCn1c2ccsc2cc1C(=O)Nc3cccc(c3COc4ccc(cc4)OC[C@@H]5CCNC5)COC	6X0	4-ethyl-~{n}-[3-(methoxymethyl)-2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
+c1ccc(c(c1)C(=O)O)NC(=O)Nc2cc(cc(c2)Cl)Cl	6X1	2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid
+CCCN1CCN(C[C@H]1C)C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	6X2	1-[[4-fluoranyl-3-[(3r)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione
+Cn1c2ccsc2cc1C(=O)Nc3ccc(cc3)COc4ccc(cc4)OC5CCN(CC5)C	6X3	4-methyl-n-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
+C[C@H](C(=O)N)NC(=O)C(CCCC[NH3+])NC(=O)CC[C@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O	6X4	[6-[[(2~{r})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{r})-5-oxidanyl-5-oxidanylidene-4-[[(2~{s})-2-[[(2~{r})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium
+CCOCc1cccc(c1COc2ccc(cc2)OC[C@@H]3CCNC3)NC(=O)c4cc5c(n4C)ccs5	6X5	~{n}-[3-(ethoxymethyl)-2-[[4-[[(3~{r})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
+COc1cccc(c1OC)C(=O)O	6X6	2,3-dimethoxybenzoic acid
+Cc1cc(cc(c1C(=O)O)O)O	6X7	2,4-dihydroxy-6-methyl benzoic acid
+c1ccc(c(c1)O)I	6X8	2-iodanylphenol
+CCC1=C(Nc2c(c(nn2C1=O)C)C#N)C	6X9	6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+C(CCC(=O)NO)CCN	6XA	6-amino-n-hydroxyhexanamide
+CC(=O)N1CCc2c(c(n[nH]2)Nc3ccccc3)C1	6XB	1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
+CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3	6XC	3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
+c1cn(cn1)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3	6XD	1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea
+c1cc2cc(ccc2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)F	6XE	6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
+CC(C)N(Cc1nc(no1)c2ccc(cc2)OC)C(=O)Cc3ccc(cc3)N(=O)=O	6XF	~{n}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{n}-propan-2-yl-ethanamide
+CC(C)NC(=O)c1cccc(c1)Nc2c3c(n(n2)CC4CC4)CCN(C3)C(=O)C	6XG	3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{n}-propan-2-yl-benzamide
+CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)Nc4ccc(cc4F)c5cnn(c5)C)C1	6XH	1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{s})-oxolan-3-yl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-5-yl]ethanone
+c1ccn(c1)c2ccsc2C(=O)O	6XI	3-pyrrol-1-ylthiophene-2-carboxylic acid
+CNC(=O)C[C@@H](Cc1ccc(c(c1)Cl)Cl)NC(=O)CN2c3ccccc3CC[C@@H](C2=O)NC(=O)C[C@H](Cc4ccc(cc4)Br)N	6XJ	(3~{s})-3-azanyl-4-(4-bromophenyl)-~{n}-[(3~{s})-1-[2-[[(2~{r})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{h}-1-benzazepin-3-yl]butanamide
+CC(=O)Nc1cc(ccc1[C@H]2C[C@@H]2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5	6XK	~{n}-[2-[(1~{s},2~{s})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)Nc5ccncn5)C)CO	6XL	6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one
+c1cc2c3c(c1)N(c4cccc5c4C3c6c(cccc6O5)N2CCN7CCOCC7)CCN8CCOCC8	6XM	8,12-bis(2-morpholinoethyl)-8h-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate
+C[C@@H](c1ccc(cc1)Cl)NC(=O)CCc2nc3cccnc3n2Cc4ccc(cc4)OC(F)(F)F	6XN	~{n}-[(1~{s})-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethyloxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
+CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O	6XO	(2~{s})-3-cyclohexyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid
+Cc1ccc(c2c1NC(=O)C2NNC(=O)[C@@H](C)c3ccc(cc3)O)Cl	6XP	(2s)-n'-[(3r)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1h-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide
+Cc1cccc(n1)N(CC(C)(C)C)C(=O)c2ccc(cc2N3CCC(CC3)c4cc5ccc(cc5o4)[C@@H](CC(=O)O)C6CC6)OC	6XQ	(3~{s})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid
+c1ccc(c(c1)c2nc(cs2)C3=N[C@@H](CS3)C(=O)O)O	6XR	(4~{r})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+CN1CCN(CC1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cc(cc(c3Cl)N4CCCCC4=O)F	6XS	5-chloro-thiophene-2-carboxylic acid [(s)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide
+Cc1ccc(cc1NC(=O)C)Nc2cc(n3c(n2)ccn3)NC4CC4	6XT	~{n}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide
+C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F	6XU	(2s)-4,4-difluoro-1-[[(4s)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1h-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid
+c1cc(ccc1C(=O)Nc2ccc(cc2)N=C3NCCN3)N=C4NCCN4	6XV	4-((4,5-dihydro-1h-imidazol-2-yl)amino)-n-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)benzamide dihydrochloride
+CC1=Cc2c(cnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4)c5cc(cnc5)N	6XW	5-(5-aminopyridin-3-yl)-8-(((3r,4r)-3-((1,1-dioxidotetrahydro-2h-thiopyran-4-yl)methoxy)piperidin-4-yl)amino)-3-methyl-1,7-naphthyridin-2(1h)-one
+Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4[C@H](CNC[C@H]4OCC5CCC(CC5)(F)F)OC	6XX	8-(((3r,4r,5s)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1h)-one
+CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Br	6XY	bromopromazine
+COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c3ccc(c4O)O	6XZ	4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one
+CCCCC1=CC(=O)Oc2c1ccc(c2O)O	6Y0	4-butyl-7,8-bis(oxidanyl)chromen-2-one
+c1ccc(c(c1)C(=O)NC23CC4CC(C2)CC(C4)C3)[SeH]	6Y1	~{n}-(1-adamantyl)-2-selanyl-benzamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O	6Y2	~{n}-[(2~{s},3~{r},4~{r},5~{r},6~{r})-2-[(2~{r},3~{s},4~{r},5~{r},6~{s})-5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
+c1ccc(c(c1)C(=O)Nc2ccc(cc2)N)[SeH]	6Y3	~{n}-(4-aminophenyl)-2-selanyl-benzamide
+CC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4ncc(c(n4)C(F)(F)F)CO	6Y4	[2-[(6~{r})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
+C(CC(=O)C(=O)O)CF	6Y5	5-fluoranyl-2-oxidanylidene-pentanoic acid
+CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)COC	6Y6	2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1h-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-d-glycero-d-galacto  -non-2-enonic acid
+CCn1cc(cn1)n2c3c(ccc(c3F)Cl)c(c2C4CC4)Sc5cccc(c5F)C(=O)O	6Y7	3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid
+CC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4c(cnc(n4)OC)F	6Y8	(6~{r})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole
+C[C@@]1(CCCN1C)C(=O)O	6Y9	(2~{r})-1,2-dimethylpyrrolidine-2-carboxylic acid
+CS(=O)(=O)CCCn1c2ccc(cc2cc1CN3c4cnccc4N(C3=O)CC(F)(F)F)Cl	6YA	3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one
+[H]/N=C(\N)/NCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	6YB	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-carbamimidamidoethyl)amino]-2-azanyl-butanoic acid
+COCCN(C[C@H]1CCCN(C1)CC#C)C(=O)c2ccc3ccccc3c2	6YC	~{n}-(2-methoxyethyl)-~{n}-[[(3~{s})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide
+Cn1cc(cn1)c2cccc(n2)C(=O)Nc3cn(nc3C(=O)N)C	6YD	~{n}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
+Cn1cc(c(n1)C(=O)N)NC(=O)c2cnn3c2nc(cc3)N4CCNCC4	6YE	~{n}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
+COc1cc(cc(c1Oc2ccc(c(c2)Cl)C#N)OC)NS(=O)(=O)C(F)(F)F	6YF	n-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide
+COc1ncc(cn1)CN2CCC[C@@H](C2)C3=NC(=O)C=C(N3)c4cccs4	6YG	2-[(3~{s})-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]-6-thiophen-2-yl-1~{h}-pyrimidin-4-one
+c1ccc2c(c1)ncn2CC(=O)c3ccc(cc3)S(=O)(=O)N	6YH	4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide
+C[C@@H](C[C@H](Cc1ccc(cc1)N)N)C(=O)O	6YJ	(2~{s},4~{r})-5-(4-aminophenyl)-4-azanyl-2-methyl-pentanoic acid
+CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)N)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@]3(CCCN3C)C	6YK	(2~{s},4~{r})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-3-[[(2~{s},3~{s})-2-[[(2~{r})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid
+Cc1c(cn(n1)C)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3C(=O)N(C)C)F	6YL	2-[(1~{r})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{n},~{n}-dimethyl-benzamide
+c1cc(c(c(c1)F)c2ccc3cnc(n3n2)Nc4cnccc4N5CCC[C@@H](C5)N)F	6YN	~{n}-[4-[(3~{s})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
+CCCCc1ccc(cc1)S(=O)(=O)N	6YP	4-butylbenzenesulfonamide
+c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)Cl)S(=O)(=O)N	6YQ	4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)OC)O)O	6YR	methyl 1-seleno-2-o-methyl-beta-l-fucopyranoside
+c1cc(c(cc1SC[C@@H]2[C@H]([C@H]3[C@@H]([C@H]3[C@@]2(C(=O)O)N)C(=O)O)O)F)F	6YS	(1~{s},2~{r},3~{s},4~{s},5~{r},6~{r})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
+c1ccnc(c1)CSC[C@@H](C(=O)O)NC(=O)c2c(cccn2)O	6YT	n-(3-hydroxypicolinoyl)-s-(pyridin-2-ylmethyl)-l-cysteine
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)/C(=C/C=NCCCCNCC=C=C)/C	6YU	fad-mdl72527 adduct
+B(c1ccccc1/C=C/C(=O)O)(O)O	6YV	(~{e})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	6YW	[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	6YX	[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	6YY	bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N	6YZ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]phosphinic acid
+[H]/N=C\1/N[C@](C(CO1)(F)F)(C)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	6Z0	n-[3-[(4r)-2-azanylidene-5,5-bis(fluoranyl)-4-methyl-1,3-oxazinan-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+Cc1cc(no1)C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O	6Z1	2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
+C[C@@H](c1ccc(cc1)F)N2c3c(cnc(n3)Nc4cccnc4)C(C2=O)(C)C	6Z2	7-[(1~{s})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C#N)O	6Z3	(2~{s},4~{r})-1-[(2~{s})-2-[(1-cyanocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1ccc(cc1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(=O)O)Cl	6Z4	(3~{s})-8-[2-azanyl-6-[(1~{r})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
+CC1(c2cnc(nc2N(C1=O)[C@H]3C=Cc4c3cccc4O)Nc5ccccc5)C	6Z5	5,5-dimethyl-7-[(1~{s})-4-oxidanyl-1~{h}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one
+COc1ccc(cc1)C2C(=C(OC3=C2C(=O)C[C@H](C3)c4cccc5c4cccc5)N)C#N	6Z6	2-amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4h-chromene-3-carbonitrile
+COc1cc(cc(c1)O)Nc2ccc(cc2)C(=O)Nc3ccc4c(c3)C[NH2+]CC4	6Z7	7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium
+CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C	6Z8	8-[(3~{r})-3-azanylpiperidin-1-yl]-7-[(2-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
+c1ccc2c(c1)CCC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	6Z9	3-[(1s)-1,2,3,4-tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=S)(O4)O)O)NC(=NC2=O)N	6ZA	2-amino-9-[(2r,4ar,6r,7r,7as)-2,7-dihydroxy-2-sulfanylidenetetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6h-purin-6-one
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NO)N	6ZB	n-hydroxy-l-tryptophanamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O	6ZC	4-nitrophenyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CS(=O)(=O)NCCNC(=O)CCl)O)O)O)NC(=NC2=O)N	6ZD	5'-o-[(r)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine
+CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C	6ZE	2,3,5-trimethyl-6-propyl-7h-furo[3,2-g][1]benzopyran-7-one
+CN(C)c1ccc(cn1)c2cc3c(c(n2)NC[C@H]4CCCNC4)nccn3	6ZF	7-[6-(dimethylamino)pyridin-3-yl]-~{n}-[[(3~{s})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
+Cc1ccc(cc1)c2cc3c(c(n2)NCCCCN)nccn3	6ZG	~{n}'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=[NH2+])N)O)O)N	6ZH	[[[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azanium
+c1cc(ccc1c2ccc(nc2)C3CC3)C4(COC4)C(=O)Nc5ccc(cc5)F	6ZI	3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-n-(4-fluorophenyl)oxetane-3-carboxamide
+C1C(=O)O[Fe]234(OC(=O)CC1(C(=O)O2)O)OC(=O)CC(CC(=O)O3)(C(=O)O4)O	6ZJ	iron(iii) dicitrate
+c1cc(cnc1)CNc2cc(nc3n2ncc3Br)c4ccc(cc4)c5ccc(cc5)C(=O)N	6ZK	4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
+CCCCCCCCC(CCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O	6ZL	2-{[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CC(=O)N1CCc2c(cnc(n2)NC3Cc4ccccc4C3)C1	6ZM	1-{2-[(2,3-dihydro-1h-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5h)-yl}ethan-1-one
+c1ccc2c(c1)CC(C2)Nc3ncc4c(n3)CCN(C4)CCC(=O)c5ccc6c(c5)OC(=O)N6	6ZN	6-(3-{2-[(2,3-dihydro-1h-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5h)-yl}propanoyl)-1,3-benzoxazol-2(3h)-one
+c1cc2c(cc1C(=O)CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)OC(=O)N2	6ZO	(3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
+c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4	6ZP	2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile
+CCN(CC)Cc1cccc(n1)CCC2=Nc3ccc(cc3C(=O)N2c4ccccc4Cl)F	6ZQ	3-(2-chlorophenyl)-2-(2-{6-[(diethylamino)methyl]pyridin-2-yl}ethyl)-6-fluoroquinazolin-4(3h)-one
+C[C@@H]1[C@@H](N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC	6ZR	(3r,4r)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
+CC[C@@](C)(C(=O)O)N	6ZS	l-isovaline
+Cc1cc(ccc1[C@H]2c3c(nn(c3C(C)C)c4ccccc4OC)C(=O)N2c5cc(ccc5OCCN(C)C)Cl)Cl	6ZT	(4~{s})-5-[5-chloranyl-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloranyl-2-methyl-phenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-c]pyrazol-6-one
+CC1=C(C(=O)Oc2c1ccc(c2)OS(=O)(=O)C)Cc3ccccc3	6ZU	3-benzyl-4-methyl-2-oxo-2h-1-benzopyran-7-yl methanesulfonate
+CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F	6ZV	n-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1h-benzimidazol-6-yl]py rimidin-2-amine
+CCN(CC)c1ccc2c(c1)OC(=O)C=C2C	6ZW	7-(diethylamino)-4-methyl-2h-1-benzopyran-2-one
+C/C(=C\C(=O)O)/c1ccc(cc1)Cl	6ZX	(e)-3-(4-chlorophenyl)but-2-enoic acid
+Cc1c(oc2c1cc3c(c2)OC(=O)C(=C3C)CCC(=O)N4CCCCC4)C	6ZY	2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7h-furo[3,2-g][1]benzopyran-7-one
+CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5	6ZZ	7-cyclopentyl-n,n-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl	700	[5-chloro-1h-indol-2-carbonyl-phenylalaninyl]-azetidine-3-carboxylic acid
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C(/C)\c3ccc(s3)Cl	701	(2r)-2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}propene-1-sulfonamide
+c1ccc(cc1)Cc2ccccc2Oc3cccc(c3)CCC[C@H](P(=O)(O)O)S(=O)(=O)O	702	(1r)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid
+c1cc(cc(c1)[N+](=O)[O-])c2cc3c(s2)cc4n3C(=S)N(C4=O)CCCN5CCOCC5	703	5-(3-morpholin-4-yl-propyl)-2-(3-nitro-phenyl)-4-thioxo-4,5-dihydro-1-thia-3b,5-diaza-cyclopenta[a]pentalen-6-one
+C[C@@H](C(=O)N(C)C)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F	704	n~2~-[2-(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-n,n-dimethyl-l-alaninamide
+CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)\C=C\CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	705	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-propylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C	706	n-(3,3-dimethyl-2,3-dihydro-1h-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide
+COc1ccc(cc1Br)C(=O)NCCC(=O)O	707	n-(3-bromo-4-methoxybenzoyl)-beta-alanine
+CC(C)c1c(c(no1)C[S@H](c2c(cccc2Cl)Cl)O)COc3ccc(c(c3)Cl)\C=C\c4cccc(c4)C(=O)O	708	3-[(e)-2-(2-chloro-4-{[3-{[(r)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
+[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)c3cccc(c3C)O)/N	709	n-(7-carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide
+Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C6(CC6)c7[nH]nnn7)C	70A	(2r,15r)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1h-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
+COc1cccc(c1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4cccc(c4)OC)O)CO)O	70B	bis-(3-deoxy-3-(3-methoxy-benzamido)-b-d-galactopyranosyl)-sulfide
+Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCCCC6)C(=O)O)C	70C	1-[(2r,15r)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid
+Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCC6)C(=O)O)C	70D	1-[(2r,15r)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid
+CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	70E	6-o-[(2r,3r)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-l-idopyranose
+Cc1cccc2c1[C@H](CCC2)CCC(=O)O	70G	3-[(1r)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid
+Cc1cccc2c1c(ccc2)/C=C/CC(=O)O	70H	(3e)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid
+CC1(CC1)NS(c2ccc3c(c2)C(=O)N(C(=O)N3Cc4ccccc4)C)(O)O	70J	3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione
+CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCCC5	70K	6-hydroxy-3-(piperidine-1-carbonyl)-1h-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide
+CCNC(=O)C1(CCC1)c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4	70L	1-[2-amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide
+c1cc(ccc1C#N)N2CCN(CC2)CCCCc3c[nH]c4c3cc(c(c4)O)C#N	70M	3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-6-oxidanyl-1~{h}-indole-5-carbonitrile
+CN1CCN(CC1)S(=O)(=O)c2cc(c(cc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5)F)F	70N	[2-azanyl-6-[4,5-bis(fluoranyl)-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
+CC(C)(C)CCc1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)C4CCN(CC4)C	70O	3-(3,3-dimethylbutyl)-~{n}-methyl-~{n}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{h}-indazole-5-carboxamide
+C[C@@H](c1ccccc1)Nc2nccc(n2)N3[C@H](COC3=O)C(C)C	70P	(4s)-3-(2-{[(1s)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one
+CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C2=NN(C(=O)c3c2cccc3)Cc4ccccc4	70Q	3-benzyl-n-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7CC(F)(F)F)C(=O)O	70R	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid
+c1cc2c(cc1N)c[nH]n2	70S	2h-indazol-5-amine
+Cc1cc2cc(ccc2[nH]1)[N+](=O)[O-]	70T	2-methyl-5-nitro-1h-indole
+COC(=O)CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	70U	5-(o-methylaceto)-2-thio-2-deoxy-uridine-5'-monophosphate
+CC1C(=O)CCCC1=O	70V	2-methylcyclohexane-1,3-dione
+CC(C)(C)OC(=O)N1CCC(CC1)N	70W	tert-butyl 4-aminopiperidine-1-carboxylate
+[H]/N=C\1/N[C@](CC(=O)N1Cc2cccc(c2)C(=O)NCc3ccccc3)(C)C(C)C	70X	n-benzyl-3-{[(2z,4s)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2h)-yl]methyl}benzamide
+[H]/N=C\1/N[C@](CC(=O)N1Cc2cccc(c2)N3C[C@H](CC3=O)c4ccccc4)(C)C(C)C	70Y	(2z,6s)-2-imino-6-methyl-3-{3-[(4r)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1h)-one
+CCCCN(C)C(=O)c1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)N4CCOCC4	70Z	~{n}3-butyl-~{n}3,~{n}5-dimethyl-~{n}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{h}-indazole-3,5-dicarboxamide
+c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c(n[nH]n6)CO	710	(5-{3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazol-6-yl}-2h-1,2,3-triazol-4-yl)methanol
+Cc1[nH]c2ccc(cc2[n+]1Cc3ccc4ccc(cc4c3)C(=N)N)OC5CCN(CC5)C(=N)C	711	7-[[6-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-2-methyl-benzimidazol-1-yl]methyl]naphthalene-2-carboximidamid
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)COC(=O)[C@@](C)(Cc3ccccc3)N	712	3-({[(1r)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(methylsulfonyl)amino]benzyl alpha-methyl-d-phenylalaninate
+Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)C	713	n-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]benzamide
+CCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	714	1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium
+c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N	715	(2r)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]-1-(2,4,5-trifluorophenyl)butan-2-a mine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)[C@H](C(C)C)NC(=O)C(=O)c2cccc(c2)Cl	716	2-[2-(3-chloro-phenyl)-2-hydroxy-acetylamino]-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide
+c1csc2n1cc(n2)CO	717	imidazo[2,1-b][1,3]thiazol-6-ylmethanol
+c1cc2c(cc1O)CCCC2=O	718	6-hydroxy-3,4-dihydronaphthalen-1(2h)-one
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NC\C=C\[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5NCCO)O)O)F	719	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(2-hydroxyethylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
+c1cc(cnc1)O	71A	pyridin-3-ol
+COc1ccc(cc1F)N	71B	3-fluoro-4-methoxyaniline
+c1ccc(cc1)Oc2cccc(c2)CN(C3CCCc4c3cccc4)C(=O)c5cc(c(cc5C(=O)O)C(=O)O)C(=O)O	71C	5-{[(3-phenoxyphenyl)methyl][(1s)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
+CC(C)NC(=O)[C@H](Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)C#N	71D	(2r)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)propanami de
+CC(C)[C@H](C(=O)N[C@H]1Cc2ccc3c(c2)[C@@]4(c5cc(ccc5N[C@@H]4O3)F)c6c(nc(o6)[C@@H](NC1=O)C(C)(C)C)c7nc(co7)CO)O	71E	dz 2384
+COc1ccccc1C(=O)O	71F	2-methoxybenzoic acid
+c1cc(cc(c1)N)C#N	71G	3-aminobenzonitrile
+CCN(CC)CCN(CC12CC(C1)(C2)c3ccc(cc3)C(F)(F)F)C(=O)CN4C5=C(CC=C5)C(=O)N=C4SCc6ccc(cc6)F	71H	~{n}-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5~{h}-cyclopenta[d]pyrimidin-1-yl]-~{n}-[[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]methyl]ethanamide
+CCCCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	71I	(3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d] [1,3]thiazole-6,7-diol
+C1CC(CCC1O)O	71J	trans-cyclohexane-1,4-diol
+Cc1c(cccc1N)N	71K	2-methylbenzene-1,3-diamine
+Cc1cc(nc(c1)N)C	71L	4,6-dimethylpyridin-2-amine
+Cc1cccc(n1)N	71M	6-methylpyridin-2-amine
+c1cc2c(cc1N)nc([nH]2)C(F)(F)F	71N	2-(trifluoromethyl)-1h-benzimidazol-5-amine
+c1cnc(nc1)O	71O	pyrimidin-2-ol
+CC(=O)N[C@@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC	71P	~{n}-[(7~{r})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{h}-benzo[a]heptalen-7-yl]ethanamide
+c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)Nc3cc(ccc3Cl)C(F)(F)F	71Q	n-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
+[H]/N=C(\N)/N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(CO)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N\[H])/N)O	71R	dihydrostreptomycin
+Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@H](Cc3cc(cc(n3)N)C)CN	71S	6-[(2s)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine
+COc1ccc(cc1)N2CCN(CC2)C(=O)c3cc4c(s3)-c5ccccc5S(=O)(=O)C4	71T	2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4h)-dione
+c1cc(c(cc1Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N)CN	71U	(2~{s})-~{n}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{r})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(nc2S)N	71V	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4	71W	(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
+CCc1c(c([nH]c1C(=O)N[C@@H]2c3cc(ccc3CC[C@H]2O)Cl)C)C(=O)C	71X	~{n}-[(1~{r},2~{r})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide
+CCc1c(c([nH]c1C(=O)N[C@H]2c3cc(ccc3CC[C@@H]2O)Cl)C)C(=O)C	71Y	~{n}-[(1~{s},2~{s})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole -2-carboxamide
+CCCn1cc(nc1)C[C@H](CCCN)C(=O)O	720	(2s)-5-amino-2-[(1-propyl-1h-imidazol-4-yl)methyl]pentanoic acid
+CCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	721	3-butoxy-1-(2,2-diphosphonoethyl)pyridinium
+CCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	722	1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium
+c1ccc(cc1)C2=C(C(=O)Nc3c2cc(cc3)Cl)CC(=O)O	723	(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid
+C[C@]1(C(=O)NC(=O)N1)CN2C(=O)c3cc(ccc3N2)OC	724	(5r)-5-[(5-methoxy-3-oxo-1,3-dihydro-2h-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
+CNc1[nH]c2c(n1)cc3c(c2CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)OC)N=C(NC3=O)N	725	6-amino-2-(methylamino)-4-(2-((2r,3r,4r,5r)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1h-imidazo[4,5-g]quinazolin-8(7h)-one
+CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OC)OC)OC)OC)N=C(NC3=O)N	726	6-azanyl-2-(methylamino)-4-[2-[(2~{r},3~{r},4~{s},5~{r},6~{s})-3,4,5,6-tetramethoxyoxan-2-yl]ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
+COc1ccc2c(c1)C(=O)N(N2)C[C@@]3(C(=O)NC(=O)N3)c4ccccc4	727	(5r)-5-[(5-methoxy-3-oxo-1,3-dihydro-2h-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
+c1ccc(c(c1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br	728	1-(4-aminobenzyl)-3-{2-[(2r)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea
+Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	729	n-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1h-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+CNC1C[S]2CC[S]3[Ru]24(n5c6ccc(cc6c7c5c8c(c9c7C(=O)NC9=O)C=C(C=[N]48)F)OC)([S](C1)CC3)[N]CS	72B	[(amino-kappan)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h,12h)-dionato-kappa~2~n,n')(n-methyl-1,4,7-trithiecan-9-amine-kappa~3~s~1~,s~4~,s~7~)ruthenium
+CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CCc3c4c(cc5c3N=C(NC5=O)N)[nH]c(n4)NC)C	72C	4-[2-[(3~{a}~{r},4~{r},6~{r},6~{a}~{r})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N	72D	4-(phenyl)-benzenesulfonamide
+Cc1ccccc1c2ccc(cc2)S(=O)(=O)N	72E	4-(2-methylphenyl)-benzenesulfonamide
+Cc1ccc(cc1C#Cc2c3cncnc3n(c2C[C@@H](C#N)C(=O)NC)CCOC)NC(=O)c4cccc(c4)C(F)(F)F	72F	n-[3-({6-[(2s)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
+c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)N)C=O	72G	4-(3-formylphenyl)-benzenesulfonamide
+c1ccc2c(c1)cc(cn2)c3ccc(cc3)S(=O)(=O)N	72H	4-(3-quinolinyl)-benzenesulfonamide
+I[Hg-2](I)(I)I	72I	tetraiodomercurate(2-)
+c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)/C=C/CCCNC(=O)CCCCCCCCCO	72J	7-(n-(10-hydroxydecanoyl)-aminopentenyl)-7-deaza-2'-datp
+Cc1c2c(cccc2n(n1)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)c5cc6ccccc6nc5	72K	4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide
+c1ccc(cc1)c2cccc(c2)c3c4c(nc[nH]4)nc(n3)Nc5ccc(cc5)S(=O)(=O)N	72L	4-[[6-(3-phenylphenyl)-7~{h}-purin-2-yl]amino]benzenesulfonamide
+Cc1ccc(cc1)Cc2cc(c(c(c2)O)O)C(=O)NC/C=C/[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	72M	~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamide
+Cc1nnc(n1c2ccccc2)C3CC3	72N	3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole
+Cc1c(sc(n1)COc2cccc(c2)Cl)c3ccn[nH]3	72O	2-[(3-chloranylphenoxy)methyl]-4-methyl-5-(1~{h}-pyrazol-5-yl)-1,3-thiazole
+Cc1c(c2ccc(cc2n1c3ccccc3)Cl)Sc4cccc(c4)C(=O)O	72P	3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid
+CS(=O)(=O)c1ccc(c2c1[C@@H]([C@@H]([C@@H]2F)F)O)Oc3cc(cc(c3)F)C#N	72Q	3-{[(1s,2s,3r)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1h-inden-4-yl]oxy}-5-fluorobenzonitrile
+c1cc2c(cc1F)C(=O)C(=O)N2	72R	5-fluoranyl-1~{h}-indole-2,3-dione
+Cc1cccc2c1NC(=O)C2=O	72S	7-methyl-1~{h}-indole-2,3-dione
+c1cc2c(c(c1)C(F)(F)F)NC(=O)C2=O	72T	7-(trifluoromethyl)-1~{h}-indole-2,3-dione
+COC(=O)c1cccc2c1NC(=O)C2=O	72U	methyl 2,3-bis(oxidanylidene)-1~{h}-indole-7-carboxylate
+CN1c2ccccc2C(=O)C1=O	72V	1-methylindole-2,3-dione
+CCc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O	72W	~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide
+CNC[C@H](CC1CCCCC1)NC(=O)N2CCC[C@H](C2)[C@@](CCCCOC)(c3cccc(c3)Cl)O	72X	(3r)-3-[(1s)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-n-{(1s)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide
+Cc1cnc(c(c1Cl)C)Cn2ccc3c2nc(nc3Cl)N	72Y	4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN/C(=N\[H])/N)NS(=O)(=O)c3ccc4ccccc4c3)/N	730	(s)-3-(3-(4-(2-guanidinoethyl)piperidin-1-yl)-2-(naphthalene-2-sulfonamido)-3-oxopropyl)benzimidamide
+Cc1c(sc(n1)C)c2cc(n[nH]2)C(=O)N3CCN(CC3)c4ccccc4	731	[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1~{h}-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
+CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)Cl	732	5-(4-chlorophenyl)-n-[(1s)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
+Cc1cc(c2cc(cc(c2n1)C(=O)N)F)NCc3c(ccc(c3Cl)Cl)Cl	733	6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide
+c1ccnc(c1)N[C@@H](c2ccco2)c3cc(c4cccnc4c3O)Cl	734	5-chloro-7-[(r)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol
+Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NCc3ccc(cc3)OC(C)(C)C(=O)O	735	2-methyl-2-(4-{[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)amino]methyl}phenoxy)propanoic acid
+CS(=O)(=O)N1CCC(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)N5CCNCC5)Cl	736	(11s)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11h-benzo[5,6]cyclohepta[1,2-b]pyridine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nccs1)NC(=O)CN2C(=NC=C(C2=O)NCc3cccc4c3nccc4)c5cccc(c5)C	737	n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]-2-m-tolyl-6h-pyrimidin-1-yl}-acetamide
+c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C#N)F	738	n-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
+CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)O)NC[C@H](CS)N	739	2(s)-{2(s)-[2(r)-amino-3-mercapto]propylamino-3(s)-methyl}pentyloxy-3-phenylpropionylmethionine sulfone
+CC(C)NC(=O)/C(=C/c1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)/C#N	73A	(2e)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)prop-2-enamide
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl	73B	4-[(2s,4r)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid
+CCCCOC[C@@H](C(=O)O)N	73C	(2~{s})-2-azanyl-3-butoxy-propanoic acid
+CCN1c2ccccc2C(=O)C1=O	73D	1-ethylindole-2,3-dione
+c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	73E	(1s)-1,5-anhydro-1-(5-phenyl-4h-1,2,4-triazol-3-yl)-d-glucitol
+c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O	73F	1-(2-phenylethyl)indole-2,3-dione
+CCCCOC(=O)CN1c2ccccc2C(=O)C1=O	73G	butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate
+c1ccc(cc1)CCN2c3ccc(cc3C(=O)C2=O)F	73H	5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)O)c5ccc(cc5)O)O	73I	(1s,2r,4s,5s,6s)-n,5,6-tris(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7ccc(cc7n6)F	73J	~{n}-[(9~{r})-4-(5-fluoranyl-1~{h}-benzimidazol-2-yl)-9~{h}-fluoren-9-yl]-1~{h}-pyrrolo[2,3-b]pyridine-4-carboxamide
+CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4ccco4	73K	n-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+Cc1c(sc(n1)C)CN2c3ccc(cc3C(=O)N(C2=O)Cc4cnn(c4)C)S(NC5(CC5)C)(O)O	73L	1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione
+N[Pt](N)(O)Cl	73M	bis(azanyl)-chloranyl-oxidanyl-platinum
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)O	73N	(2~{s})-5-carbamimidamido-2-(carboxyamino)pentanoic acid
+c1cc(ccc1CC[C@@H](C(=O)O)N)O	73O	(2~{s})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid
+C(CCN)C[C@@H](C(=O)O)NC(=O)O	73P	(2~{s})-6-azanyl-2-(carboxyamino)hexanoic acid
+Cc1c2c(n(n1)C)N(c3ccc(cc3C2=O)Cl)O	73Q	6-chloro-9-hydroxy-1,3-dimethyl-1,9-dihydro-4h-pyrazolo[3,4-b]quinolin-4-one
+CCC[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)Nc3c4cc(ccc4ncn3)C(F)(F)F)N(C)C(C)C	73R	(3s)-1-{(1s,2r,4r)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4c(cnc(n4)N)Cl)c5[nH]c6ccncc6n5	73S	2-azanyl-5-chloranyl-~{n}-[(9~{r})-4-(1~{h}-imidazo[4,5-c]pyridin-2-yl)-9~{h}-fluoren-9-yl]pyrimidine-4-carboxamide
+Cc1c(cccc1N2C(=O)c3cccc(c3N(C2=O)C)F)c4c(cc(c5c4c6c([nH]5)C[C@H](CC6)C(C)(C)O)C(=O)N)F	73T	6-fluoro-5-(r)-(3-(s)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4h)-yl)-2-methylphenyl)-2-(s)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide
+Cc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccc(cc3)NC	73U	5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione
+CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OCc3ccccc3	73V	benzyl n-({(2s,3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)S)O)O	73W	5'-o-[(dithiophosphono)]cytidine
+c1cc(c(cc1N2CCN(CC2)c3cnc(nc3N)N)Cl)Cl	73X	5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine
+c1ccc2c(c1)cc(cn2)c3cccc4c3-c5ccccc5[C@H]4NC(=O)c6c(cnc7c6nc[nH]7)Br	73Y	6-bromanyl-~{n}-[(9~{r})-4-quinolin-3-yl-9~{h}-fluoren-9-yl]-3~{h}-imidazo[4,5-b]pyridine-7-carboxamide
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(=O)CC4)C(=O)N	73Z	2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide
+c1cc(ccc1CC(=O)Nc2c3cc(ccc3[nH]n2)N4CCCS4(=O)=O)N5CCCCC5	740	n-[5-(1,1-dioxidoisothiazolidin-2-yl)-1h-indazol-3-yl]-2-(4-piperidin-1-ylphenyl)acetamide
+Cn1ccnc1Sc2ccc(cc2Cl)Nc3c4cc(c(cc4ncc3C#N)OCCC[N@@](C)CCO)OC	741	4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile
+CCCCCCCCCCCC[P+](C)(C)CC(P(=O)(O)O)P(=O)(O)O	742	(2,2-diphosphonoethyl)(dodecyl)dimethylphosphonium
+CCC/C(=N/OCc1ccc(cc1)c2ccc(cc2)F)/[C@@H]3C(=O)CC([C@@H](C3=O)C#N)(C)C	743	(1r,5r)-5-{(1z)-n-[(4'-fluorobiphenyl-4-yl)methoxy]butanimidoyl}-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile
+Cc1ccc(cc1NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3)Cl	744	(3s)-n-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
+[H]/N=C(/c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4)\N	745	trans-6-(2-phenylcyclopropyl)-naphthalene-2-carboxamidine
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=N3)Nc4ccc(cc4)C(=O)N5CCOCC5)C	746	4-tert-butyl-n-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide
+CN1C(=N/C(=C\c2cc(c(c(c2)F)O)F)/C1=O)/C=N/O	747	(5z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(e)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4h-imidazol-4-one
+Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN(CCN(C)C)C(=O)c5cccnc5	748	n-[2-(dimethylamino)ethyl]-n-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]pyridine-3-carboxamide
+CC(=CCC/C(=C/CC(P(=O)(O)O)(P(=O)(O)O)C/C=C(/CCC=C(C)C)\C)/C)C	749	[(6e,11e)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid)
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3CN(CCN3)C(=O)c4ccccc4)O)C	74A	n'-{(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+c1c(c(cc(c1[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF)F)F)CNCC(F)(F)F	74B	(4ar,6r,8as)-8a-(2,4-difluoro-5-{[(2,2,2-trifluoroethyl)amino]methyl}phenyl)-6-(fluoromethyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+[CH3]	74C	methyl radical
+Cc1c(c2ccccc2n1[C@H](C)C3CCN(CC3)CC(C)(F)F)C(=O)NCC4C(=CC(=NC4=O)C)OC	74D	1-[(1~{r})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{n}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{h}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide
+Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N	74E	2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide
+C[C@@H](c1nc(nn1C)c2cnc(c(n2)n3c4ccccc4nn3)N)N5CCOCC5	74F	3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{s})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine
+C[n+]1ccc(c2c1cccc2)C[C@H]3N(c4ccccc4S3)CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	74G	4-{[(2s)-3-{2,16-dioxo-20-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-2,3-dihydro-1,3-benzothiazol-2-yl]methyl}-1-methylquinolin-1-ium
+Cn1c(nc(n1)c2cnc(c(n2)n3ccc(n3)C(=O)N)N)C4(CC4)c5ccccc5	74H	1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide
+Cn1c(nc(n1)c2cnc(c(n2)n3cc(cn3)C(=O)N)N)C4(CC4)c5ccccc5	74J	1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide
+Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)C(=O)N)N)C4(CC4)c5ccccc5	74K	4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide
+Cn1c(nc(n1)c2cnc(c(n2)c3cnn(c3)S(=O)(=O)N(C)C)N)C4(CC4)c5ccccc5	74L	4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-~{n},~{n}-dimethyl-pyrazole-1-sulfonamide
+CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OC	74M	methyl n-({(2s,3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate
+Cn1c(nc(n1)c2cnc(c(n2)c3ccc(cc3)C(=O)N)N)C4(CC4)c5ccccc5	74N	4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide
+Cn1c(nc(n1)c2cnc(c(n2)c3c[nH]nc3)N)C4(CC4)c5ccccc5	74O	5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{h}-pyrazol-4-yl)pyrazin-2-amine
+CC(=O)C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	74P	(e)-n~6~-(1-carboxy-3-oxobutylidene)-l-lysine
+Cn1c(nc(n1)c2cnc(c(n2)n3c4ccccc4nn3)N)C5(CC5)c6ccccc6	74Q	3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine
+C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)Cn4c5ccccc5c6c4cccc6)CCc7ccccc7	74S	9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole 
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC6CCN(CC6)C7CCCC7	74T	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate
+c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4	74U	n-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine
+CCN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C	74V	n-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-n-[(3s)-piperidin-3-yl]pyrimidine-5-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O	74W	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2r,3s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O	74X	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2r,3s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea
+Cc1ccc(c(n1)NCc2ccco2)C(=O)N3CCCCCC3	74Y	(azepan-1-yl)(2-{[(furan-2-yl)methyl]amino}-6-methylpyridin-3-yl)methanone
+c1cc(oc1)CNc2c3c4c(sc3ncn2)CCCC4	74Z	n-[(furan-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+CC(C)C[C@@H](C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc2cccc(c2)c3ccccn3)NC(=O)c4cc5cc(ccc5o4)OCCN6CCOCC6	750	5-(2-morpholin-4-ylethoxy)benzofuran-2-carboxylic acid ((s)-3-methyl-1-{(s)-3-oxo-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-ylcarbamoyl}butyl)amide
+COc1ccc(cc1)c2cccc(c2)S(=O)(=O)N3CCN(CC3)c4c(nccn4)c5ccc(cc5)OC	751	2-{4-[(4'-methoxybiphenyl-3-yl)sulfonyl]piperazin-1-yl}-3-(4-methoxyphenyl)pyrazine
+c1ccc(c(c1)c2[nH]c(nn2)SCC(=O)Nc3nc4ccccc4s3)C(=O)O	752	2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4~{h}-1,2,4-triazol-3-yl]benzoic acid
+Cc1c2c(nc(nc2sc1C(=O)O)CCc3ccccc3)NC	753	5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid
+CCCOc1cc2c(cc1/C(=C\C=C\C(=C\C(=O)O)\C)/C)C(CCC2(C)C)(C)C	754	(2e,4e,6z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid
+CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc2cc(ccc2C(=O)O)Cl	755	4-chloro-2-[({(1s,2s)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid
+Cc1cc2cc(ccc2o1)C(=O)N3CCC[C@@H](C3)c4[nH]c5ccccc5n4	756	[(3s)-3-(1h-benzimidazol-2-yl)piperidin-1-yl](2-methyl-1-benzofuran-5-yl)methanone
+CC(C)[C@@H](C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)NC(=O)C[C@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O	757	5-[[(2s)-2-[[(3r,4s)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1r)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid
+CC(C)(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]ccn2)Cl	758	2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-n-(1h-imidazol-2-yl)benzamide
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)NCc5ccc(cc5)C6=C(NCS6)C)O)C(C)(C)C)c7ccc(cc7)Cl)C	759	(2~{s},4~{r})-1-[(2~{s})-2-[2-[2-[2-[2-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c2cccc(c2)I)C(=O)N	75A	n-acetyl-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithinamide
+c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	75B	5-selenophen-2-yluridine 5'-(dihydrogen phosphate)
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](CO)N)O	75C	5'-({[(2r,3s)-3-amino-4-hydroxy-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine
+CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)O)C(C)C	75D	2,4,6-tri(propan-2-yl)benzenesulfonic acid
+c1csc(c1C2=CNC(=O)C=C2)c3cc(n4c(n3)c(cn4)C#N)NC5CC5	75E	7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CC[C@@]1(c2cn[nH]c2N=C3[C@H]1C(=O)CC(C3)(C)C)c4ccccc4	75F	(4s,4as)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5h-pyrazolo[3,4-b]quinolin-5-one
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)S)O)Cl)N	75G	(2s,4ar,6r,7r,7as)-6-(6-amino-2-chloro-9h-purin-9-yl)-7-hydroxy-2-sulfanyltetrahydro-2h,4h-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
+CC1=C(C(=O)N(N1CC(C)(C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC	75H	n-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxamide
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5ccccc5C#N	75J	2-({2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5h-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile
+Cc1nc2c(o1)C=C(OC2=O)C	75K	2,6-dimethyl-4h-pyrano[3,4-d][1,3]oxazol-4-one
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N4CCCN(C4=NC2=O)Cc5nc(c6ccccc6n5)C	75L	2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3h)-one
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5ccc(cc5)C#N	75M	4-({2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5h-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile
+CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5nc(c6ccccc6n5)C	75N	2-[(3r)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]-3h-imidazo[2,1-b]purin-4(5h)-one
+CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)O	75O	6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1h-indole-3-carboxylic acid
+COc1cc2c(cc1OCCN)nc(nc2NCCCCCN3CCCC3)N4CCCC4	75P	7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-n-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine
+Cc1ccc(c(n1)C)COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl	75Q	1-(4-{3,5-dichloro-4-[(2,6-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine
+Cc1ccnc(c1COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl)C	75R	1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine
+Cc1c(cccn1)COc2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl	75S	1-(4-{3,5-dichloro-4-[(2-methylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine
+Cc1c(cccn1)COc2ccc(cc2)c3cccc(c3)C4CCNCC4	75T	2-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine
+CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3	75U	ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1h-indole-3-carboxylate
+CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC	75V	n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-alanine
+[H]/N=N/c1ccc(cc1)S(=O)(=O)N	75W	4-[(e)-diazenyl]benzene-1-sulfonamide
+Cc1c(cccc1O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N	75X	3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methylphenol
+c1cc(ccc1NC(=O)CN2C(=O)C=CC2=O)S(=O)(=O)N	75Y	2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{n}-(4-sulfamoylphenyl)ethanamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccc5c(c4)nc[nH]5)F	75Z	n-[2-[5-(1h-benzimidazol-5-yl)-4h-1,2,4-triazol-3-yl]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1ccc(cc1)CNc2c3ccccc3nc4c2CCCC4	760	9-(3-phenylmethylamino)-1,2,3,4-tetrahydroacridine
+c1ccc2cc(c(cc2c1)C(=O)O)NC(=O)C(=O)O	761	3-(oxalyl-amino)-naphthalene-2-carboxylic acid
+c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)Cl	762	3-{5-[amino(iminio)methyl]-6-chloro-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCOCn3ccc4c3ccnc4)F	763	5-(4-fluorophenyl)-2,3-dihydroxy-n-[3-(pyrrolo[3,2-c]pyridin-1-ylmethoxy)propyl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[N+]4(CC4)CC[C@@H](C(=O)O)N)O)O)N	765	5'-{1-[(3s)-3-amino-3-carboxypropyl]aziridin-1-ium-1-yl}-5'-deoxyadenosine
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCc3cc4cnccc4s3)F	766	5-(4-fluorophenyl)-2,3-dihydroxy-n-(4-thieno[3,2-c]pyridin-2-ylbutyl)benzamide
+CN(C)CCCNc1nc2cc(c(cc2c(n1)N(C)C)OC)OC	767	n2-(3-(dimethylamino)propyl)-6,7-dimethoxy-n4,n4-dimethylquinazoline-2,4-diamine
+[H]/N=C/1\N(c2ccccc2N1C[C@H](COc3ccc(cc3Cl)Cl)O)CCN4CCCCC4	768	(2r)-1-(2,4-dichlorophenoxy)-3-[(2e)-2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1h-benzimidazol-1-yl]propan-2-ol
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCC/C=C/Cn3ccc4c3ccnc4)F	769	5-(4-fluorophenyl)-2,3-dihydroxy-n-[(e)-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide
+c1cc(ccc1c2ccc(cc2)O)c3c4c([nH]n3)-c5ccc(cc5C4)C(=O)NC6CCC(CC6)O	76A	3-(4'-hydroxybiphenyl-4-yl)-n-(4-hydroxycyclohexyl)-1,4-dihydroindeno[1,2-c]pyrazole-6-carboxamide
+Cc1cc(ccn1)c2nc([nH]n2)CCNC(=O)c3cc(cc(c3O)O)c4ccc(cc4)F	76B	5-(4-fluorophenyl)-2,3-dihydroxy-n-[2-[5-(2-methylpyridin-4-yl)-4h-1,2,4-triazol-3-yl]ethyl]benzamide
+Cc1c(cncc1F)N2C(=O)c3c(cccc3Cl)N=C2[C@H](C)Nc4c(c(nc(n4)N)N)C#N	76C	2,4-bis(azanyl)-6-[[(1~{s})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
+CC(C)c1cc(c(c(c1)C(C)C)C(=O)O)C(C)C	76D	2,4,6-tri(propan-2-yl)benzoic acid
+c1cc(cc(c1)S(=O)(=O)N2CCOc3ccc(cc3C2)NC(=O)c4c(cccc4Cl)F)C(F)(F)F	76E	2-chloro-6-fluoro-n-[4-[3-(trifluoromethyl)phenyl]sulfonyl-3,5-dihydro-2h-1,4-benzoxazepin-7-yl]benzamide
+CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC	76F	(7e,21r,24s)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9z,12e)-octadeca-9,12-dienoate
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCc3cc4ccncc4s3)F	76G	5-(4-fluorophenyl)-2,3-dihydroxy-n-(4-thieno[2,3-c]pyridin-2-ylbutyl)benzamide
+CCC[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	76H	[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-propyl-azanium
+CCCCC[NH2+][C@@H](CC[C@@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	76J	[(2~{s},5~{s})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-pentyl-azanium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@H](C(=O)O)[NH3+])[NH2+]CCCO)O)O)N	76K	[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(3-oxidanylpropyl)azanium
+C[C@H](C[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	76L	[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-[(2~{r})-2-oxidanylpropyl]azanium
+CC(C)C[NH2+][C@@H](CC[C@H](C(=O)O)[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	76M	[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(2-methylpropyl)azanium
+c1ccc(cc1)C[NH2+][C@H](CC[C@@H](C(=O)O)[NH3+])C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	76O	[(2~{r},5~{s})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium
+CN(C)C1CCC(CC1)Oc2c3cc(ccc3ncn2)[N+](=O)[O-]	76P	~{n},~{n}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine
+Cc1cc(cc(c1)c2cnc3ccc(cc3c2CCCCNC)c4cc(cnc4)O)C	76Q	5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CCC(=O)O)C)CCC(=O)O)C	76R	[3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~n~21~,n~22~,n~23~,n~24~)tetra(propanoato)(2-)]manganese
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCc3[nH]c(nn3)c4ccncc4)F	76S	5-(4-fluorophenyl)-2,3-dihydroxy-n-[2-(3-pyridin-4-yl-1h-1,2,4-triazol-5-yl)ethyl]benzamide
+c1cc(cc(c1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F)CNc4ccc5c(c4)cn[nH]5	76T	5-(4-fluorophenyl)-2,3-dihydroxy-n-[[3-[(1h-indazol-5-ylamino)methyl]phenyl]methyl]benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)CF)O	76U	(4s)-5-fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
+CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@@H]1[C@H](O1)C(=O)OCC	76V	n-{[(2s,3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-isoleucine
+c1cc(c(nc1)N)N	76X	pyridine-2,3-diamine
+c1ccc(c(c1)Cn2cccc2C(=O)N)Cl	76Y	1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide
+CC(C)(C#Cc1ccc2c(c1)-c3nc(cn3CCO2)C(=O)N)O	76Z	10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
+c1ccc(c(c1)c2cc3c(c4cc(ccc4[nH]3)NC=O)c5c2C(=O)NC5=O)Cl	770	n-[4-(2-chlorophenyl)-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-c]carbazol-9-yl]formamide
+COc1cc(c(cc1OCc2ccccc2)NS(=O)(=O)C)CNc3ccc(cc3)C(=N)N	771	4-(4-benzyloxy-2-methanesulfonylamino-5-methoxy-benzylamino)-benzamidine
+c1cc2ccc(nc2c(c1)OP(=O)(O)O)C#N	772	2-cyanoquinolin-8-yl dihydrogen phosphate
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC\C=C\c4cc5ccccc5nc4)C)C)NC(=O)O2)C	773	cethromycin
+c1cc(nc-2c1OCCc3c2scc3)C(=O)N	774	6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide
+CCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3)Cl)C#N)N1	775	2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CCNP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O	777	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-ethyl-phosphonamidic acid
+c1cc(cc(c1)Cl)N2CC[N@@](CC2=O)Cc3cncn3Cc4ccc(cc4)C#N	778	4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1h-imidazol-1-yl)methyl]benzonitrile
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)Nc4ccccc4	779	1-[(1r,3s)-3-{[(2e,4r)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea
+C[C@@H](CN(C)C)Oc1cncc(n1)NC(=O)Nc2cc(ccc2OC)Cl	77A	1-(5-chloro-2-methoxyphenyl)-3-{6-[2-(dimethylamino)-1-methylethoxy]pyrazin-2-yl}urea
+CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OCc2ccccc2)NC(=O)[C@@H]3[C@H](O3)C(=O)NCc4ccccc4	77B	benzyl n-({(2s,3s)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate
+c1cc(cnc1)N2C(=O)c3c(ccc(c3N=C2[C@H](C4CC4)Nc5c(c(nc(n5)N)N)C#N)F)Cl	77C	2,4-diamino-6-{[(s)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile
+CC1(Cc2c(c(sc2C(=O)NC1)Nc3ccc(cc3F)I)C(=O)N[C@@H]4CCCNC4)C	77D	2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-n-[(3r)-piperidin-3-yl]-5,6,7,8-tetrahydro-4h-thieno[2,3-c]azepine-3-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CC[C@H](CCC(=O)O)N)O	77E	(4r)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid
+COc1ccc(cc1)S(=O)(=O)[N@@](CC2CCCCC2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O)O	77F	n-[(2s,3r)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3cnc4c3ncnc4N)F	77G	n-[5-(6-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3cnc4c3nc(nc4)N)F	77H	n-[5-(2-aminopurin-9-yl)pentyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O	77I	(1s,2r,4s,5r,6s)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
+c1ccc(cc1)C2=CC(=O)NC(=N2)SCCC(=O)NO	77J	n-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide
+Cn1cc(nc1)CNC(=O)c2cc(cc(c2O)O)c3ccc(cc3)F	77K	5-(4-fluorophenyl)-2,3-dihydroxy-n-[(1-methylimidazol-4-yl)methyl]benzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCO)F	77L	5-(4-fluorophenyl)-2,3-dihydroxy-n-(2-hydroxyethyl)benzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCSCC(=O)c3ccc(c(c3)O)O)F	77M	n-[2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCOCCn3cnc4c3ncnc4N)F	77N	n-[2-[2-(6-aminopurin-9-yl)ethoxy]ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1cc(oc1)CNc2cncc(n2)Cl	77O	6-chloro-n-[(furan-2-yl)methyl]pyrazin-2-amine
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCNC(=O)c3cc(ncn3)O)F	77P	n-[2-[[5-(4-fluorophenyl)-2,3-dihydroxybenzoyl]amino]ethyl]-6-hydroxypyrimidine-4-carboxamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccc4c3ccnc4)F	77Q	5-(4-fluorophenyl)-2,3-dihydroxy-n-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)benzamide
+c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCCCn3ccnc3)F	77R	5-(4-fluorophenyl)-2,3-dihydroxy-n-(5-imidazol-1-ylpentyl)benzamide
+c1ccc(cc1)Cc2nc([nH]n2)CCNC(=O)c3cc(cc(c3O)O)c4ccc(cc4)F	77S	n-[2-(5-benzyl-1h-1,2,4-triazol-3-yl)ethyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+Cc1c(ccc(c1F)C#N)N2CC[C@]([C@@H]2C)(C)O	77T	2-fluoro-4-[(2s,3s)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile
+Cc1c(ccc(c1Cl)C#N)N2CC[C@@H]([C@@H]2C)O	77U	2-chloro-4-[(2s,3s)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile
+Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5	77V	n~4~-cyclopropyl-n~2~-(3-methyl-1h-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
+C[C@]1(c2ccc(cc2CCN1c3ccc(cc3)F)O)c4ccc(cc4)/C=C/C(=O)O	77W	(2e)-3-{4-[(1r)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid
+CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1	77X	1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
+c1ccc2c(c1)c(c[nH]2)CC(=O)NC/C=C/C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	77Y	 5-(3-(2-(1h-indol-3-yl)acetamide-n-yl)-1-propen-1-yl)-2'-deoxyuridine
+CC(C)CCN1c2ccccc2C(=O)C(C1=O)[C@@H]3Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N	77Z	2-({(3r)-3-[(3s)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2h-1,2,4-benzothiadiazin-7-yl}oxy)acetamide
+c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N	780	3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-1,1'-biphenyl-2-olate
+CCC(=O)Nc1ccc2c(c1)cccc2O	781	n-(5-hydroxynaphthalen-2-yl)propanamide
+CC(C)c1ccc(cc1)N2CCc3cc(ccc3[C@@]2(C)c4ccc(cc4)/C=C/C(=O)O)O	782	(2e)-3-(4-{(1r)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid
+COc1cc(c(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)[O-])c4ccccc4	783	3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-5-methoxy-1,1'-biphenyl-2-olate
+C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ccc(cc4)C(=N)N	784	[amino (4-{(3as,4r,8as,8br)-1,3-dioxo-2- [3-(trimethylammonio) propyl]decahydropyrrolo[3,4-a] pyrrolizin-4-yl}phenyl) methylene]ammonium
+c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])OC(F)(F)F	785	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-4-(trifluoromethoxy)benzenolate
+C[C@H](c1ccc(cc1)n2cccn2)NC(=O)[C@@H]([C@H](C(=O)N3CCC[C@@H]3c4c(sc(n4)NC)S(=O)(=O)C)O)O	786	(2r,3r)-2,3-dihydroxy-4-{(2r)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-n-{(1r)-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}butanamide
+c1ccc(cc1)C(P(=O)(O)O)P(=O)(O)O	787	(phenyl-phosphono-methyl)-phosphonic acid
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCc4ccccc4)c5ccccc5	788	n-benzyl-4-methyl-1-phenyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+c1cc(ccc1C2=C(c3ccc(cc3C2=O)O)Br)O	789	3-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1h-inden-1-one
+CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]2[C@H](O2)C(=O)NCc3ccccc3	78A	n-({(2s,3s)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-proline
+CCOC(=O)c1ccc(cc1)CN	78B	ethyl 4-(aminomethyl)benzoate
+c1ccc(cc1)[C@@H]2CC(=O)N2C(=O)OC3CCCC3	78C	cyclopentyl 2-oxo-4-phenylazetidine-1-carboxylate
+C1C[C@H](NNC1)C(=O)OCC/C=C/C=C/CCCCC(=O)O	78D	(6e,8e)-11-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}undeca-6,8-dienoic acid
+CC(C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H](N2)C(=O)OCC/C=C/C=C/CCCCC(=O)N1)Cc3cccc(c3)O	78E	3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
+C[C@@H]([C@H](/C=C/C=C/CCOC(=O)[C@@H]1CCCNN1)OC)[C@H]([C@@H](C)C(=O)O)OC	78F	(2r,3r,4s,5s,6e,8e)-11-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}-3,5-dimethoxy-2,4-dimethylundeca-6,8-dienoic acid
+COCN1C=C(C(=NC1=O)N)C[NH+](CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)CC[C@@H](C(=O)O)N	78G	2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{s})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium
+c1cc(ccc1C(=O)O)NCC2=NC3=C(NC2)N=C(NC3=O)N	78H	7,8-dihydropteroate
+CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCCCC4	78J	(3r,4r)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one
+COCN1C=C(C(=NC1=O)N)CN(CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	78K	(2~{r})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid
+c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6	78L	~{n}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide
+CCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O	78M	(2s)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate
+CCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O	78N	(2r)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate
+C[C@H](c1cccc(c1)/C=C/CC[C@H]([C@@H](C)C(=O)O)OC)OC(=O)[C@@H]2CCCNN2	78O	(2r,3r,6e)-7-{3-[(1r)-1-{[(3s)-hexahydropyridazine-3-carbonyl]oxy}ethyl]phenyl}-3-methoxy-2-methylhept-6-enoic acid
+C[C@@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N	78P	(2r)-2-(7-carbamoyl-1h-benzimidazol-2-yl)-2-methylpyrrolidinium
+C[C@H]([C@@H](CC/C=C/c1cccc(c1)COC(=O)[C@@H]2CCCNN2)OC)C(=O)O	78Q	(2r,3r,6e)-7-[3-({[(3s)-hexahydropyridazine-3-carbonyl]oxy}methyl)phenyl]-3-methoxy-2-methylhept-6-enoic acid
+C[C@@H]1[C@@H](CC/C=C/c2cccc(c2)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc4cccc(c4)O)OC	78R	11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone
+CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C	78S	(2r)-3-dimethoxyphosphoryloxy-2-[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid
+OP(=O)[O-]	78T	oxidanylphosphinate
+C[C@@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N	78U	(betas)-beta-methyl-l-tryptophan
+COCN1C=CC(=NC1=O)NCCNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	78V	4-[2-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-one
+CC(=O)CS/C(=N/c1ccc(cc1)Cl)/NC(=O)c2c(cccc2Cl)F	78W	2-oxidanylidenepropyl ~{n}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{n}'-(4-chlorophenyl)carbamimidothioate
+C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)Cc4cccc(c4)O)C(C)C)C)OC	78X	11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone
+Cc1c(nn(n1)c2ccccc2)C(=O)N	78Y	5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide
+Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(nc3)C(F)(F)F	78Z	2-(1,1-difluoroethyl)-5-methyl-n-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+c1cc2c(c(c1)OP(=O)(O)O)NCCC2	790	1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate
+c1ccc(cc1)C(C(=O)O)C(=O)O	791	2-phenylmalonic acid
+CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc2c[nH]c3c2cc(cc3)C)C(=O)O	792	n-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-d-tryptophan
+C[C@H](c1ccccc1)NC2=C(C(=O)C2=O)Nc3ccncc3	793	3-{[(1r)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
+c1ccc2c(c1)cccc2N(c3ccccc3C(=O)O)C(=O)C(=O)O	794	2-[(carboxycarbonyl)(1-naphthyl)amino]benzoic acid
+c1cc(cnc1)c2nc(cs2)C=O	795	2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde
+CNc1nccc(n1)c2ccc(s2)C(=O)N[C@@H](Cc3ccc(cc3Cl)Cl)CN	796	n-[(1s)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
+c1cc(cc2c1cc(cc2)O)c3c4ccc(cc4on3)O	797	3-(6-hydroxy-naphthalen-2-yl)-benzo[d]isooxazol-6-ol
+c1cc(ccc1c2ccsc2)C(=O)c3ccc(cc3)OC[C@H]4CCCN4	798	{4-[(2r)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone
+Cc1nc(n(n1)C(C)C)c2cn3c(n2)-c4ccc(cc4OCC3)c5cnn(c5)C(C)(C)C(=O)N	799	2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1h-pyrazol-1-yl)propanamide
+CS(=O)(=O)c1ccc(c2c1[C@@H](C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N	79A	3-{[(1s)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1h-inden-4-yl]oxy}-5-fluorobenzonitrile
+c1ccc2c(c1)c(nc(n2)c3cccnc3)N[C@@H]4Cc5ccc(cc5C4)C#CCCCCCCCCC(=O)O	79B	11-[(2~{r})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{h}-inden-5-yl]undec-10-ynoic acid
+CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5	79C	4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+CC[C@@H]1c2c(ncn2-c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C)C#N	79D	4-{[(6r)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	79E	jc96
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NP(=O)(CNC(=O)OCc1ccccc1)O	79F	(2~{s})-4-methyl-2-[[(2~{s})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid
+CC(C)CN(C[C@@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@H](CCO3)N)O)S(=O)(=O)c4ccc(cc4)OC	79G	(4s)-4-amino-n-[(2s,3s)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3,4-dihydro-2h-chromene-6-carboxamide
+CC(C)C1C(=Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCN(C)C	79H	5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+[H]/N=C/[C@H](C[C@@H]1CCNC1=O)N	79I	3-[(2s)-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](CO)O)O)(C(=O)O)O)OC(=O)C	79J	4-o-acetyl-5-acetamido-3,5-dideoxy-l-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)c3cc[n+](cc3)[O-])Cl	79K	vercirnon
+C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3)O	79L	(2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{r})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O	79M	(2r)-2,3-dihydroxypropyl (7z)-hexadec-7-enoate
+CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O	79N	(2s)-2,3-dihydroxypropyl (7z)-hexadec-7-enoate
+c1ccc(c(c1)C2=Nc3c4cc(ccc4oc3C(=O)N2)Br)Cl	79O	8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3h)-one
+C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@@H](C)NC(=O)CN4CCOCC4)O	79P	(2~{s})-3-(1~{h}-indol-3-yl)-~{n}-[(2~{s},3~{s},4~{r})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{r})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6	79Q	3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{n}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide
+C[C@@H]1CCCC[C@@H]1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)/C=C(/C#N)\C(=O)N(C)C	79R	(~{z})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide
+C[C@@H]1CCCC[C@@H]1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)C[C@@H](C#N)C(=O)N(C)C	79S	(2~{s})-2-cyano-~{n},~{n}-dimethyl-3-[5-[3-[(1~{s},2~{r})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide
+CN(C)C(=O)C(=Cc1ccc(o1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)C#N	79T	2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-~{n},~{n}-dimethyl-prop-2-enamide
+CN(C)C(=O)c1ccc2c(c1)c(nn2c3ccc(cc3)C(=O)O)Oc4c(cccc4Cl)C(F)(F)F	79U	4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid
+c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F	79V	(2r,3s,4r)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile
+c1cc(cc(c1)[C@@H]2CC(=O)CS2(=O)=O)C=O	79W	3-[(2s)-1,1-dioxido-4-oxotetrahydrothiophen-2-yl]benzaldehyde
+COc1cc-2c(cc1OC)C(=O)n3c2cc4c3ccc(c4)O	79X	2-hydroxy-8,9-dimethoxy-6h-isoindolo[2,1-a]indol-6-one
+CS(=O)(=O)N1CCO[C@@H](C1)c2csc(n2)c3ccccc3NC(=O)c4[nH]ccn4	79Y	n-(2-{4-[(2s)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}phenyl)-1h-imidazole-2-carboxamide
+CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(CCO)S(=O)(=O)C)C4CC4	79Z	5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-n-methyl-1-benzofuran-3-carboxamide
+CCNc1c(ccc(n1)c2ccc(c(c2)F)NC(=O)NCc3ccc([n+](c3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N)C(=O)NCCN5CCCCC5	7A0	[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CCNc1c(ccc(n1)c2ccc(c(c2)F)NC(=O)NCc3ccc(nc3)N)C(=O)NCCN4CCCCC4	7A1	6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{n}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
+C(C(=O)O)[C@]([C@H](C(=O)O)O)(C(=O)O)O	7A2	3-c-carboxy-2-deoxy-l-threo-pentaric acid
+C(C(=O)O)[C@]([C@@H](C(=O)O)O)(C(=O)O)O	7A3	3-c-carboxy-2-deoxy-d-erythro-pentaric acid
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)C(C)C)F)CC(=O)O	7A4	[(1z)-5-fluoro-2-methyl-1-{[4-(propan-2-yl)phenyl]methylidene}-1h-inden-3-yl]acetic acid
+C[C@@H]1COCCN1C2=CC(=O)N3CC[C@H](N(C3=N2)CC(=O)C(C)C)C(F)(F)F	7A5	(8s)-2-[(3r)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one
+CCCSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2ncnc3N)O)O	7A6	(2s,3s,4r,5s)-2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(propylsulfanyl)methyl]pyrrolidine-3,4-diol
+[H]/N=C(\c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC	7A7	methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
+CC1=CC[C@@H](CC1)N(C)C	7A8	(1r)-dimethyl-(4-methyl-cyclohex-3-enyl)-amine
+c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5	7A9	palonosetron
+COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl	7AA	methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/2\CC/C(=C\C=O)/C=C2)/C	7AB	(2e)-{(4e)-4-[(3e)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene}acetaldehyde
+Cn1cnc2c1c(c(c(c2)C#N)c3ccccc3Cl)CN	7AC	7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1h-benzimidazole-5-carbonitrile
+CN(C)CCCNC(=O)c1cccc2c1nc3ccccc3c2N	7AD	9-amino-n-[3-(dimethylamino)propyl]acridine-4-carboxamide
+CS(=O)(=O)N1CCO[C@@H](C1)c2csc(n2)c3cc(ccc3NC(=O)c4[nH]ccn4)N5CCOCC5	7AE	n-[2-{4-[(2s)-4-(methylsulfonyl)morpholin-2-yl]-1,3-thiazol-2-yl}-4-(morpholin-4-yl)phenyl]-1h-imidazole-2-carboxamide
+C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C	7AF	~{n}-[(2~{s})-1-[[(2~{s})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+C[C@@H](Cn1cc(nn1)CNC(=O)CCCC(=O)Nc2cccc(c2)C(=O)N)c3ccccc3	7AG	~{n}'-(3-aminocarbonylphenyl)-~{n}-[[1-[(2~{r})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide
+c1cc(ccc1CC(=O)Nc2ccc3c(c2)c(c[nH]3)C4CCNCC4)F	7AH	2-(4-fluorophenyl)-n-(3-piperidin-4-yl-1h-indol-5-yl)ethanamide
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O)O	7AI	(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CN1CCN(CC1)CCn2cc(c3c2cc(c(c3)OC)OC)c4cc5c(ccnc5[nH]4)Cl	7AJ	4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1h-indol-3-yl}-1h-pyrrolo[2,3-b]pyridine
+C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)N)O)O)O	7AK	(+)-discodermolide
+C[C@]12C[C@H](CC([C@@H]1C[C@@H](C(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)O)(C)C)Cl	7AL	chlorolissoclimide
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)C(=O)NP(=O)(O)O	7AM	[[(2~{s})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid
+CC(=O)NCCc1c[nH]c2c1cccc2	7AN	~{n}-[2-(1~{h}-indol-3-yl)ethyl]ethanamide
+C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])O)O)O	7AO	[(3~{z},5~{s},6~{s},7~{s},8~{r},9~{s},11~{z},13~{s},14~{s},15~{s},16~{z},18~{s})-19-[(2~{s},3~{r},4~{s},5~{r})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] ~{n}-[3-[(3-azidophenyl)carbonylamino]propyl]carbamate
+C[C@@H]([C@H](c1cnc2c(n1)c(nc(n2)N)N)O)O	7AP	(1s,2s)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol
+c1ccc(cc1)C[C@H](C(=O)O)N2C(=O)c3cc(c(cc3C2=O)Cl)Cl	7AR	(2r)-2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-phenylpropanoic acid
+[H]/N=C\C1(CC1)NC(=O)[C@H](CC(C)(C)F)N[C@@H](c2ccc(cc2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F	7AS	4-fluoro-n-{1-[(z)-iminomethyl]cyclopropyl}-n~2~-{(1s)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl }-l-leucinamide
+c1c([nH]nn1)c2c3c(ncnc3n(n2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N	7AT	1-(5-o-phosphono-beta-d-ribofuranosyl)-3-(1h-1,2,3-triazol-5-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cn1c(c(c2c1nccc2Cl)c3ccc(cc3)CO)c4ccc(cc4)N5CCNCC5	7AU	(4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol
+CNc1nc(cs1)c2ccc3c(c2)CCN3C(=O)c4ccccc4OCc5ccc(cc5)Cl	7AV	{2-[(4-chlorophenyl)methoxy]phenyl}{5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydro-1h-indol-1-yl}methanone
+CCC[C@@H](CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C)NC(=O)OCc3cncs3	7AW	n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2r,5s)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-l-valinamide
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3ccc4ccc(cc4c3)C#N	7AX	7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy)phenoxy)-2-naphthonitrile
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)Cl)C#N	7AY	5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)O)P(=O)(O)O	7AZ	phosphonato-calix[6]arene
+C(CCN)C[C@@H](C(=O)O)NS(=O)(=O)N	7B0	(2~{s})-6-azanyl-2-(sulfamoylamino)hexanoic acid
+c1ccc(cc1)C(=O)Nc2nc3cc(ccc3o2)S(=O)(=O)N	7B1	n-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide
+Cc1c2cnn3c(c2c(n1C)C[n+]4cc5c(n(c(c5c(n4)Cl)C)C)C)nnc3c6c(n(c(c6C=O)C)C)C	7B2	4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde
+Cc1c2cnnc(c2c(n1C)C)OC	7B3	4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine
+Cc1c2cnnc(c2c(n1C)C)Cl	7B4	4-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine
+CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(OC)OC)C(=O)OC)/C)/C)C	7B5	methyl (2r)-3-dimethoxyphosphoryloxy-2-[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate
+C1CCC(CC1)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)NC(=O)N[C@@H](CCCCN)C(=O)O	7B6	(2~{s})-6-azanyl-2-[[(2~{r})-1-[[(1~{r},2~{s},4~{s})-2-bicyclo[2.2.1]heptanyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid
+COc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N	7B7	1-(4-aminobenzyl)-3-{2-[(2r)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea
+c1cc(cc(c1)NC(=O)CCC(=O)NCCc2cn(nn2)CCNS(=O)(=O)c3cccc(c3)C(=O)O)C(=O)N	7B8	3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CNC(=CC2=O)CCCO)O	7B9	[5-hydroxy-4-({[6-(3-hydroxypropyl)-4-oxo-1,4-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+COc1ccc(cc1O)/C=C\c2cc(c(c(c2)OC)OC)OC	7BA	combretastatin a4
+C1CC(CCC1C(=O)O)OC(=O)N(CCCCC(=O)O)/C(=C/S)/N	7BB	trans-4-({[(e)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid
+C=CC(=O)OCCC(=O)O	7BC	3-(acryloyloxy)propanoic acid
+c1ccc2c(c1)-c3ccccc3C2=NOCCC(=O)O	7BD	3-[(9h-fluoren-9-ylideneamino)oxy]propanoic acid
+CC1(CCC(c2c1cc3c(c2)O[C@@]4(CCc5cc(ccc5O4)C(=O)O)CC3)(C)C)C	7BE	(2~{r})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid
+c1cc2cnccc2c(c1)OC[C@H]3CCCN3c4ccnc5n4ncn5	7BF	5-[[(2~{r})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline
+c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F	7BG	2-amino-7-benzyl-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-6-oxo-6,9-dihydro-1h-purin-7-ium
+Cc1ccccc1OC[C@H]2CCCN2c3c4c(nc[nH]4)ncn3	7BH	6-[(2~{r})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{h}-purine
+c1cc(ccc1OCCN2C(=O)C3(CCCCC3)NC2=O)F	7BJ	3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
+C[C@@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3	7BK	2-fluoranyl-5-[2-[(4~{r})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
+C/C=C/C/C(=C\[C@H]1C/C=C/C=C/C[C@@H](/C=C(/[C@H](C/C=C/[C@H](CC(=O)O1)O)OC)\C)C)/C	7BL	(4s,5e,8s,9e,11s,13e,15e,18r)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1z,4e)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O	7BN	(2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O	7BO	(2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+CC(C)(C)[C@@H]1CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F	7BP	5-[2-[(4~{s})-4-~{tert}-butyl-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]-2-fluoranyl-benzenecarbonitrile
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O	7BQ	(2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[(2~{r})-3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+CC1(CCS(=O)(=O)CC1)[C@@H]2CC(=O)N(C2)CCOc3ccc(c(c3)C#N)F	7BR	2-fluoranyl-5-[2-[(4~{s})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
+C/C=C/C/C(=C\[C@H]1C/C=C/C=C/C[C@@H](/C=C(/[C@H](C/C=C/[C@H](CC(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC)O)OC)\C)C)/C	7BS	(4s,5e,8s,9e,11s,13e,15e,18r)-8-methoxy-9,11-dimethyl-18-[(1z,4e)-2-methylhexa-1,4-dien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-o-methyl-beta-d-glucopyranoside
+COc1cc(cc(c1OC)OC)/C=C\C(=O)NCC[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	7BT	(~{z})-~{n}-[2-[(2~{r},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
+c1cc2n3c1C(=C4C=CC5=[N]4[Zn]36N7C(=C5C(F)(F)F)C=CC7=C(C8=[N]6C(=C2C(F)(F)F)C=C8)C(F)(F)F)C(F)(F)F	7BU	[5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]zinc
+c1cc2c(cc1N3CCCCCC3)sc(n2)C4=N[C@H](CS4)C(=O)O	7BV	(4s)-2-[6-(azepan-1-yl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+CC1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)C	7BW	5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile
+c1cc(cc(c1)S(=O)(=O)NC2CC2)C#N	7BX	3-cyano-~{n}-cyclopropyl-benzenesulfonamide
+CCC(=O)NCCCNc1c2cc(c(cc2nc(n1)N3CCCC3)OC)OC	7BY	n-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide
+BN(C)C	7BZ	n,n-dimethylboranamine
+c1cc(cc(c1)Cl)[C@H](CCCCCN)OC(=O)O	7C0	(1s)-6-amino-1-(3-chlorophenyl)hexyl hydrogen carbonate
+[H]/N=C(\c1ccc(cc1)N2C(=O)c3cccc(c3C2=O)C)/N	7C1	4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzenecarboximidamide
+CCCCC[C@H](CCCCCN)OC(=O)O	7C2	(6r)-1-aminoundecan-6-yl hydrogen carbonate
+C(CCN)CC(=O)C(=O)O	7C3	6-azanyl-2-oxidanylidene-hexanoic acid
+CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C)Cc4ccc(cc4)OC)C)CC(C)C)C)C(C)C)O	7C4	(2~{s})-~{n}-[(2~{r})-1-[[(3~{s},6~{s},8~{s},12~{s},13~{r},16~{s},17~{r},20~{s},23~{s})-13-[(2~{s})-butan-2-yl]-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-~{n}-methyl-1-[(2~{s})-2-oxidanylpropanoyl]pyrrolidine-2-carboxamide
+c1c(nc2c(n1)NC(=NC2=O)N)C(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	7C5	5'-o-(2-amino-4-oxo-1,4-dihydropteridine-6-carbonyl)adenosine
+C[C@H]1[C@@H]2[C@H](CN1S(=O)(=O)c3ccc4c(c3)OCO4)c5cnccc5N(C2=O)C	7C6	(3s,3as,9bs)-2-[(2h-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4h-pyrrolo[3,4-c][1,6]naphthyridin-4-one
+CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](COC)C(=O)NCc1cccc2c1cccc2)NC(=O)CCc3ccccc3	7C7	n,n-diethyl-n~2~-(3-phenylpropanoyl)-l-asparaginyl-o-methyl-n-[(naphthalen-1-yl)methyl]-l-serinamide
+C[C@H](CCCN1CCN(CC1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C	7C8	[3,5-bis(chloranyl)phenyl]methyl 4-[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentyl]piperazine-1-carboxylate
+COC[C@@H](C(=O)O)N	7C9	o-methyl-l-serine
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3c(c(cc(c3C2=O)O)O)CCC(C)C)c4ccc(cc4)OC)O)O)O	7CA	5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside
+c1cc2cnccc2c(c1)S(=O)(=O)N	7CB	isoquinoline-5-sulfonamide
+CCN(CC)C(=O)C[C@@H](C(=O)O)N	7CC	n,n-diethyl-l-asparagine
+c1ccc2c(c1)cccc2CN	7CD	1-(naphthalen-1-yl)methanamine
+COc1ccccc1Nc2cc3c(cc([nH]3)c4cnco4)cn2	7CE	n-(2-methoxyphenyl)-2-(1,3-oxazol-5-yl)-1h-pyrrolo[3,2-c]pyridin-6-amine
+C[C@H](CCC(=O)N[C@@H]1CCN(C1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C	7CF	[3,5-bis(chloranyl)phenyl]methyl (3~{r})-3-[[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pyrrolidine-1-carboxylate
+c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cc(ccc3Br)Br	7CG	2,5-dibromo-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O	7CH	(2s,4ar,6r,7r,7as)-6-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
+c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O)C#N	7CI	7-cyano-7-deazainosine
+c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cccc(c3)F	7CJ	3-fluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
+c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)c([nH]c4C(=O)O)O	7CK	7-carboxy-5-hydroxy-12,13-dihydro-6h-indolo[2,3-a]pyrrolo[3,4-c]carbazole
+CCCCCCl	7CL	1-chloropentane
+c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3ccc(c(c3)Cl)F	7CM	3-chloro-4-fluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
+c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br	7CN	3-bromo-n-[3-(2-oxo-2,3-dihydro-1h-pyrrol-1-yl)phenyl]benzene-1-sulfonamide
+c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F	7CO	2,6-difluoro-n-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
+Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C	7CP	(4r)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
+COc1ccc(cc1S(Nc2cccc(c2)N3CCCC3=O)(O)O)Br	7CQ	5-bromo-2-methoxy-n-(3-(2-oxopyrrolidin-1-yl)phenyl)benzenesulfonamide
+c1cc2c(cc1[C@@H](CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)O)OC(=O)N2	7CR	[3,5-bis(chloranyl)phenyl]methyl 4-[(3~{r})-3-oxidanyl-3-(2-oxidanylidene-3~{h}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
+CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccn4	7CS	(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1h-pyrrolo[2,3-b]pyridine-3-carboxylate
+CNS(=O)(=O)c1cccc2c1ccnc2	7CT	~{n}-methylisoquinoline-5-sulfonamide
+C[C@@H](CNc1cnc(c(n1)c2cc3ccccc3[nH]2)C(=O)N)N	7CU	5-{[(2s)-2-aminopropyl]amino}-3-(1h-indol-2-yl)pyrazine-2-carboxamide
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)OC)OC)O	7CV	6-deoxy-2,3-di-o-methyl-alpha-l-mannopyranose
+C[C@H](CCC(=O)NCCNC(=O)OCc1cc(cc(c1)Cl)Cl)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C	7CW	[3,5-bis(chloranyl)phenyl]methyl ~{n}-[2-[[(4~{r})-4-[(3~{r},5~{s},7~{s},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO)N	7CY	(1r,2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
+C1=CC=C(C(=S)C=C1)O	7CZ	2-hydroxycyclohepta-2,4,6-triene-1-thione
+c1c(cc(cc1F)F)O[C@H]2[C@H]3C[C@]3([C@@H]([C@@H]([C@H]2O)O)O)CO	7D0	(1~{r},2~{s},3~{s},4~{r},5~{s},6~{s})-5-[3,5-bis(fluoranyl)phenoxy]-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol
+C1CO[C@@H]([C@H]([C@@H]1O)O)CO	7D1	1,5-anhydro-2-deoxy-d-arabino-hexitol
+C1[C@H]2[C@@]1([C@@H]([C@@H]([C@H]([C@H]2O)O)O)O)CO	7D2	(1~{r},2~{s},3~{s},4~{s},5~{s},6~{s})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)CO)N	7D3	[(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CO)N	7D4	[[(2~{s},3~{r},4~{r})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)O)CO)N	7D5	[(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate
+CNC(=O)c1ccc2cc(ccc2c1)[C@]3(CCn4c3cnc4)O	7D6	(s)-orteronel
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)CO)CO)N	7D7	[(2s,3r,4r)-4-(6-amino-9h-purin-9-yl)oxetane-2,3-diyl]dimethanol
+C1[C@H]2C[C@]2([C@@H]([C@@H]([C@H]1F)O)O)CO	7D8	(1~{r},2~{s},3~{s},4~{s},6~{r})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)S(=O)(=O)O)(C)C	7D9	(16~{r})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{s},3~{s},4~{r})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid
+c1cn(c2c1c(ncn2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	7DA	7-deaza-2'-deoxyadenosine-5'-monophosphate
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O	7DB	(2~{r},4~{s},5~{r},6~{r})-5-acetamido-2-[4-[(2~{s})-3-[2-[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)/N=N/c2ccc(cc2)C(=O)N[C@H](C=O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)N	7DC	4-[(~{e})-[4-[[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{n}-[(2~{s})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	7DD	7-deazaadenosine-5'-diphosphate
+CCOC(=O)c1c(nn(c1C)c2cccc(c2)[N+](=O)[O-])C	7DE	3,5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester
+CC1(C[C@H]2C[C@H]([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C	7DF	dihydropentalenolactone f
+C1C=NC2=C1C(=O)NC(=N2)N	7DG	7-deazaguanine
+C(C=CC(=O)C(=O)O)O	7DH	(3e)-5-hydroxy-2-oxopent-3-enoic acid
+[H]/N=C/[C@H](CCC(=O)NCC)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F	7DI	pf-07321332, bound form
+C[C@@](CNC(=O)c1cnc2n1nc(cc2NC)Nc3c(c(cc(c3F)F)F)F)(CO)O	7DJ	n-[(2r)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
+COC(=O)Nc1ccc-2c(c1)NC(=O)CCCCC[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	7DK	methyl ((15s)-15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8,17,19-triazatricyclo[14.2.1.0~2,7~]n onadeca-1(18),2,4,6,16(19)-pentaen-5-yl)carbamate
+COC(=O)Nc1ccc-2c(c1)CCCCCCC[C@@H](c3[nH]c(c2n3)Cl)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	7DL	((15s)-18-chloro- 15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2- propenoyl)amino)-17,19-diazatricyclo[14.2.1.0~2,7~]nonadeca-1(18),2,4,6,16(19)-pentaen-5-yl)carbamate
+c1cc2c(cc1C(=O)O)C(=CC(=O)N2)O	7DM	4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid
+Cc1cccc2c1nc(cc2)N3CCC(CC3)C(=O)N[C@H]4CCC[C@H]4CCc5ccccc5C(=O)O	7DN	2-{2-[(1s,2s)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid
+CC(=O)NCCc1ccc(c(c1)O)O	7DP	~{n}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide
+CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N	7DQ	6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccccc3	7DR	6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
+COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	7DS	methyl ((12e,15s)-15-(((2e)-3-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-2-propenoyl)amino)-9-oxo-8,17,19-triazatricyclo[14.2.1.0~2, 7~]nonadeca-1(18),2,4,6,12,16(19)-hexaen-5-yl)carbamate
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	7DT	7-deazaadenosine-5'-triphosphate
+[H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)/N=N/c2ccc(cc2)CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)N	7DU	(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{n}-[(2~{s})-1-[[4-[(~{e})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide
+Cc1cc(ccc1O)O	7DV	2-methylbenzene-1,4-diol
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCc2ccc(cc2)F)O)O	7DW	11-(4-fluorophenyl)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide
+c1ccc(cc1)c2csc(n2)c3ccc4ccc(nc4c3)NC(=O)C[C@@H](C5CCCCC5)C(=O)O	7DX	(2~{s})-2-cyclohexyl-4-oxidanylidene-4-[[7-(4-phenyl-1,3-thiazol-2-yl)quinolin-2-yl]amino]butanoic acid
+C[C@@H]([C@@H](Cc1ccc(cc1)Cl)c2cccc(c2)C#N)NC(=O)C(C)(C)Oc3ccc(cn3)C(F)(F)F	7DY	n-[(2s,3s)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide
+C[C@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C	7DZ	(7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5h)-one
+CC1=C[C@@H]2[C@](CC1)([C@]3(CC[C@H]([C@@]34CO4)O2)C)C	7E0	trichothecene
+c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CCCCC(=O)O)c5ccc(cc5)O	7E1	6-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid
+c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCC(=O)O)c5ccc(cc5)O	7E3	5-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid
+c1ccc2c(c1)c(nc(n2)c3cccnc3)N[C@H]4Cc5ccc(cc5C4)C#CCCCCCCCCC(=O)O	7E4	11-[(2~{s})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{h}-inden-5-yl]undec-10-ynoic acid
+c1ccc(c(c1)C(=O)O)O[C@@H]2C[C@H](NC2)C(=O)O	7E5	(2~{s},4~{r})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid
+Cc1nnc2n1nc(cc2)c3cnn(c3Oc4ccccc4)C	7E7	3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
+CCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O	7E8	(2r)-2,3-dihydroxypropyl (7z)-tetradec-7-enoate
+CCCCCC/C=C\CCCCCC(=O)OC(CO)CO	7E9	1,3-dihydroxypropan-2-yl (z)-tetradec-7-enoate
+Cc1nnc2n1nc(cc2)c3ccc(c(c3)OC)OC	7EA	6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
+CN(C)CCOc1ccc(cc1)C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O	7EB	4-bromophenyl (1s,2r,4s)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCN6CCCCC6)O	7EC	4-bromophenyl (1s,2r,4s)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+CC[C@H](c1ccc(cc1)O)[C@H](c2ccc(cc2)O)C(=O)OCCCCCCCCOC(=O)C(c3ccc(cc3)O)C(CC)c4ccc(cc4)O	7ED	8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2r,3s)-2,3-bis(4-hydroxyphenyl)pentanoate
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5ccc(cc5)N)O)O	7EE	(14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol
+CC(=CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O)C	7EF	4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2h-indazol-3-yl]benzene-1,3-diol
+c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)/C=N/O)O)O	7EG	2~3~-[(e)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol
+Cn1c2c(cc(cn2)c3ccccc3)nc1N	7EH	3-methyl-6-phenyl-3h-imidazo[4,5-b]pyridin-2-amine
+COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O	7EI	(1r,2s,4r)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3ccc(n3CCCCOC)c4ccccc4	7EJ	1-(4-methoxybutyl)-n-(2-methylpropyl)-n-[(3s,5r)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1h-pyrrole-2-carboxamide
+CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3c(n(nn3)c4ccccc4)CCCCOC	7EK	5-(4-methoxybutyl)-n-(2-methylpropyl)-n-[(3s,5r)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1h-1,2,3-triazole-4-carboxamide
+c1cc(ccc1c2ccc(c(c2Cl)O)/C=N/O)O	7EL	2-chloro-4-[(e)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol
+c1cc(ccc1c2cc(sc2c3ccc(cc3)O)c4ccc(cc4)O)O	7EM	4,4',4''-(thiene-2,3,5-triyl)triphenol
+c1cc(c(cc1O)Cl)C2=C(S(=O)C=C2)c3ccc(cc3Cl)O	7EN	(1s)-2,3-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one
+c1cc(c(cc1O)Cl)C2=CC=C(S2=O)c3ccc(cc3Cl)O	7EO	2,5-bis(2-chloro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C	7EP	(2r,4s)-2-[(1r)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1cc(c(cc1O)F)C2=CC=C(S2=O)c3ccc(cc3F)O	7EQ	2,5-bis(2-fluoro-4-hydroxyphenyl)-1h-1lambda~4~-thiophen-1-one
+c1cc(c(cc1O)F)C2=CS(=O)(=O)C=C2c3ccc(cc3F)O	7ER	3,4-bis(2-fluoro-4-hydroxyphenyl)-1h-1lambda~6~-thiophene-1,1-dione
+c1cc(c(cc1O)F)c2ccsc2c3ccc(cc3F)O	7ES	4,4'-(thiene-2,3-diyl)bis(3-fluorophenol)
+c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O	7ET	3-fluorophenyl (1s,2r,4s)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1cc(ccc1C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCC(=O)O)O	7EV	5-{4-[(1s,4s,5r)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid
+C1CC[C@H]2[C@@H](C1)O2	7EX	(1r,6s)-7-oxabicyclo[4.1.0]heptane
+Cc1ccc(cc1)c2csc3c2c(ncn3)SCCC(=O)O	7EY	3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid
+CC/C=C\CC([C@@H](C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O)O	7EZ	(4z,7z,10z,13z,16r,17r,19z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)/C=C/S(=O)(=O)C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)CN5CCOCC5	7F1	(2s)-n-[(e,2s)-1-(1h-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2s)-3-(1h-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide
+CCCCCC[C@H](CO)O	7F2	(2r)-octane-1,2-diol
+c1cc2c(c(c1)F)C(=N[C@@]2(c3ccc(c(c3)c4cncnc4)F)c5ccnc(c5)C(F)(F)F)N	7F3	(1s)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1h-isoindol-3-amine
+C1CCNC(=O)[C@@H](C1)N	7F4	(3~{r})-3-azanylazepan-2-one
+Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F	7F5	3-(3-fluorophenyl)-n-{2-[2-(5-methyl-1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
+c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O	7F6	(1r,2r)-1,2-diphenylethane-1,2-diol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2CCCCNC2=O)O	7F7	[6-methyl-5-oxidanyl-4-[(~{e})-[(3~{r})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
+CCNC(=O)CN(c1ccc(cc1)OC)C(=O)c2ccc(cc2O)O	7F9	~{n}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{n}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide
+CCCCCC=CC/C=C\C/C=C\CCCCC[P@@](=O)(OC)F	7FA	methyl (r)-(6z,9z,12z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
+CCCC[C@H](CO)O	7FB	(2r)-hexane-1,2-diol
+c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Cl)Cl)O)C(=O)O	7FC	4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid
+CCOC(=O)C=Cc1ccc(cc1)C(=C2CCCCC2)c3ccc(cc3)O	7FD	ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate
+Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CN4CCCC4)C(=O)c5ccc(cc5O)O)Cl	7FE	~{n}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)-~{n}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
+COC(=O)N1CCCc2c1ccc(c2)N	7FF	methyl 6-azanyl-3,4-dihydro-2h-quinoline-1-carboxylate
+CCOC(=O)C=Cc1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O	7FG	ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate
+C1=CC(=S)N(C=C1C(F)(F)F)O	7FH	1-hydroxy-5-(trifluoromethyl)pyridine-2(1h)-thione
+c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2	7FJ	4,4'-[(1,3-dihydro-2h-inden-2-ylidene)methylene]diphenol
+CN1CC/C=C/CCCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O	7FK	15-chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydrobenz[c][1]azacyclohexadecine-1,13(2h,14h)-dione
+c1cc(ccc1C(=C2CCCCCC2)c3ccc(cc3)O)O	7FL	4,4'-(cycloheptylidenemethylene)diphenol
+CS(=O)(=O)N1CCCCC(=O)N2CCc3c2ccc(c3)Nc4ncc(c(n4)NCc5c1nccc5)C(F)(F)F	7FM	25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12h-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6h)-one
+c1cc(oc1C(=O)O)C(=O)O	7FN	2,5 furan dicarboxylic acid
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)I)c5ccc(cc5)O)O	7FO	4-iodophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+CC(=O)Nc1ccc(cc1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	7FP	4-(acetylamino)phenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccc(cc5)OC)O	7FQ	(9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol
+CC(C)c1ccc(cc1)/N=C\2/CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C	7FR	(9beta,13alpha,17z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol
+CC(C)c1ccc(cc1)N[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C	7FS	(9beta,13alpha,17beta)-17-{[4-(propan-2-yl)phenyl]amino}estra-1(10),2,4-trien-3-ol
+Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)Cc4ccccc4	7FT	4-chloranyl-7-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]-5-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-amine
+c1cc2c(cc1C(=O)NN)sc(n2)NN	7FU	2-hydrazino-1,3-benzothiazole-6-carbohydrazide
+Cc1cc2ccccc2nc1c3ccc4c(c3)CC[C@@H](N4C(=O)c5ccc(cc5O)O)C	7FV	[2,4-bis(oxidanyl)phenyl]-[(2~{s})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{h}-quinolin-1-yl]methanone
+CN(Cc1ccc2c(c1)nccn2)C(=O)c3ccc(cc3)N(Cc4ccccc4)C(=O)c5ccc(cc5O)O	7FW	~{n}-[4-[methyl(quinoxalin-6-ylmethyl)carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{n}-(phenylmethyl)benzamide
+c1cc(c(cc1O)O)C(=O)N2CC[C@H](n3c2ccn3)C(F)(F)F	7FX	[2,4-bis(oxidanyl)phenyl]-[(7~{s})-7-(trifluoromethyl)-6,7-dihydro-5~{h}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC3=CCC(=O)C(=O)C3	7FY	~{n}-[4,5-bis(oxidanylidene)cyclohexen-1-yl]-4-phenyl-benzenesulfonamide
+Cc1cc(cc(c1O)C)c2ccc3c(c2)CC[C@@H]3O	7FZ	(1s)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1h-inden-1-ol
+C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]2O)c3ccc(cc3)O	7G0	(1s,3as,5s,7as)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol
+C[C@]12CC[C@@]3(CCc4c3ccc(c4)O)C[C@@H]1CC[C@@H]2O	7G1	(1s,1's,3a's,7a's)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol
+c1cc(c(cc1c2ccc(c(c2)F)O)/C=N/O)O	7G2	3-fluoro-3'-[(e)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol
+c1cc(ccc1c2ccc(c(c2)/C=N\O)O)O	7G3	3-[(z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol
+C12C3[Ru]1456789(C2C4C53)C1C6C7C8C91	7G4	ruthenocene
+c1cc(ccc1C2=C(CS(=O)(=O)C2)c3ccc(cc3)O)O	7G5	3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1h-1lambda~6~-thiophene-1,1-dione
+CN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7	7G6	6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C6CCN(CC6)C)C)CO	7G7	6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one
+CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)Oc4ccnc(c4)C(=O)NC)F	7G8	4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{n}-methyl-pyridine-2-carboxamide
+CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)OCCOC)F	7G9	~{n}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide
+C[C@@H](CC(C)C)C(=O)O	7GA	2,4-dimethylpentanal
+C/C=C/C(=O)N1CC[C@H](C1)N2c3c(c(ncn3)N)N(C2=O)c4ccc(cc4)Oc5ccccc5	7GB	6-azanyl-9-[(3~{r})-1-[(~{e})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one
+Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nccs2	7GC	4-methyl-n-(thiazol-2-ylcarbamoyl)benzenesulfonamide
+c1ccc(cc1)Cc2cc(nc3c2[nH]nn3)N	7GD	7-benzyl-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+c1ccc2c(c1)c[n+]([nH]2)[Ru-](Cl)(Cl)(Cl)(Cl)Cl	7GE	pentakis(chloranyl)-(1~{h}-indazol-2-ium-2-yl)ruthenium(1-)
+COC(=O)/C(=C\1/N(C(=O)CS1)c2ccc(cc2)Br)/CN	7GF	methyl (2z)-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate
+CCN(CC)/C=C\c1c2c(nc[nH]2)nc(n1)Nc3ccccc3	7GG	6-[(~{z})-2-(diethylamino)ethenyl]-~{n}-phenyl-7~{h}-purin-2-amine
+C[C@H]1CNC(=O)c2cnn3c2nc(cc3)N[C@@H](c4cc(ccc4O1)F)C	7GI	repotrectinib
+CN(C)C(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	7GJ	3-[[6-(cyclohexylmethoxy)-7~{h}-purin-2-yl]amino]-~{n},~{n}-dimethyl-benzamide
+c1cc(ccc1c2cc3c(ccnc3[nH]2)C#N)N4CCNCC4	7GK	2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile
+Cc1cc(cc(c1)Nc2cc(c3ncc(n3n2)C(=O)N)NC)C	7GL	6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
+C[C@]1(CCN(C1)CC2CC2)Oc3ccc(cc3)SC	7GM	(3r)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine
+CCOC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	7GP	n-[ethoxy(oxo)acetyl]-beta-d-glucopyranosylamine
+Cc1ncn(n1)c2ccc(c(c2)Cl)C(=O)N[C@@H]3[C@H]4CC[C@@H]3N(C4)c5c6c(c(cn5)Cl)c(no6)N	7GQ	n-[(1s,4s,7r)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1h-1,2,4-triazol-1-yl)benzamide
+CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)(CNC(=O)OCc1ccccc1)O	7GR	(2~{s})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid
+CCc1cc(c(cc1c2ccc3c(c2)n[nH]c3c4[nH]c5c(n4)CCN(C5)C(=O)c6cnc(cn6)N7CCCCC7)F)O	7GS	{2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-2h-indazol-3-yl]-3,4,6,7-tetrahydro-5h-imidazo[4,5-c]pyridin-5-yl}[5-(piperidin-1-yl)pyrazin-2-yl]methanone
+C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CC[C@H](C4)S(=O)(=O)c5ccccc5	7GT	{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3r)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone
+c1cn(c2c1C(=O)NC(=N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	7GU	7-deaza-2'-deoxyguanosine-5'-monophosphate
+C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CCCC4	7GV	{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone
+C([C@H]1[C@H]([C@H]([C@@H](O1)C(O)O)O)O)O	7GW	(2~{r},3~{r},4~{s},5~{s})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
+CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)Nc4ccc(nc4)C)O	7GX	6-(2-ethyl-4-hydroxyphenyl)-n-(6-methylpyridin-3-yl)-1h-indazole-3-carboxamide
+CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)N)O	7GY	6-(2-ethyl-4-hydroxyphenyl)-1h-indazole-3-carboxamide
+CCc1cc(ccc1c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4)O	7GZ	4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-3-ethylphenol
+CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cn3c(cc(n3)C(F)(F)F)Cl)C	7H0	7-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-n-ethyl-2-methyl-5-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
+c1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	7H1	2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{n}-oxidanyl-~{n}'-phenyl-octanediamide
+CC1=C(N2C(=NC(=CC2=O)Cn3c(cc(n3)C(F)(F)F)Cl)C=C1)[C@@H]4C[C@H]4C#N	7H2	(1r,2r)-2-(2-{[5-chloro-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile
+c1cc(c(cc1NC(=O)c2ccc(cn2)Br)[C@@]34[C@@H](CCO3)CSC(=N4)N)F	7H3	n-{3-[(4ar,7ar)-2-amino-4,4a,5,6-tetrahydro-7ah-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide
+CCC(=O)N1C[C@@H](CC[C@@H]1C)Nc2c3cc[nH]c3ncn2	7H4	1-{(2s,5r)-2-methyl-5-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
+CS(=O)(=O)c1cccc(c1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(=O)O)Cl	7H5	(3s)-8-(2-amino-6-{(1r)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
+CC1=CC[C@]2(C[C@@H]1O)[C@@H](CC[C@@H]2C(=O)O)C(C)C	7H6	(1s,4s,5s,9s)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid
+Cc1nnc2n1nc(c3c2cccc3)N[C@@H](C)[C@H](c4ccccc4)N(C)C	7H7	(1s,2s)-n~1~,n~1~-dimethyl-n~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine
+C[C@@H]1CN([C@H](C[NH2+]1)CN2CCCC2=O)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C	7H8	1-[[(2~{r},5~{r})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one
+C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(cn4)Cc5ccc(cc5)F)(C)C	7H9	1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[[(3~{r})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone
+Cc1c(nc(o1)c2ccc(cc2)Cl)COc3cccc(c3)CN(CC(=O)O)C(=O)OC	7HA	n-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-n-(methoxycarbonyl)glycine
+CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NC4CCC(CC4)O)c5cccc(c5F)Cl	7HC	(2's,3r,4's,5'r)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-n-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
+Cc1cc(no1)Cn2cc(cn2)c3c(cnc4c3[nH]c(n4)c5cn(nc5C)C)Cl	7HD	3-((4-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)-1h-pyrazol-1-yl)methyl)-5-methylisoxazole
+Cc1c(c2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Fe@]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)C=C)C)C=C)C)C	7HE	7-methyl-7-depropionatehemin
+CCOc1c(c(n(n1)c2ccccc2)NC(=O)N[C@@H]3CN(C[C@H]3c4ccc(c(c4)F)F)CCOC)C	7HF	1-[(3s,4r)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea
+C[C@H]1[C@H](/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1OC)C)C(C)C)Cc3cccc(c3)O)OC	7HG	3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
+c1ccc(cc1)C(=O)Nc2cc(ccc2OCc3ccc(cc3)Cl)C(=O)NCC(=O)O	7HH	n-{3-[(benzenecarbonyl)amino]-4-[(4-chlorophenyl)methoxy]benzene-1-carbonyl}glycine
+CCc1c(c2c(n1CC[C@H](C[C@H](CC(=O)O)O)O)CCCCC2)C(=O)Nc3ccc(cc3)c4ccccc4	7HI	(3r,5r)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4h)-yl]-3,5-dihydroxyheptanoic acid
+CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)NCc2cccc3c2cccc3)NC(=O)/C=C/c4ccccc4	7HJ	n,n-diethyl-n~2~-[(2e)-3-phenylprop-2-enoyl]-l-asparaginyl-4-fluoro-n-[(naphthalen-1-yl)methyl]-l-phenylalaninamide
+COC(=O)Cc1ccc2c(c1)NC(=O)c3ccc(cc3N2)Nc4ccncc4	7HK	methyl [11-oxo-3-(pyridin-4-ylamino)-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl]acetate
+c1ccc(cc1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O	7HL	2-[(benzenecarbonyl)amino]-3-[(4-chlorophenyl)methoxy]benzoic acid
+c1ccc2c(c1)CN(C2=O)c3c(cccc3OCc4ccc(cc4)Cl)C(=O)O	7HM	3-[(4-chlorophenyl)methoxy]-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)benzoic acid
+c1cc(c(c(c1C(=O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O	7HN	3,4-dihydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methyl]benzoic acid
+c1ccc(c(c1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O)OCC(=O)O	7HO	2-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-3-[(4-chlorophenyl)methoxy]benzoic acid
+c1c2c(c(ncn2)O)[nH]n1	7HP	7-hydroxy-pyrazolo[4,3-d]pyrimidine
+c1ccc2c(c1)ncn2CO	7HQ	benzimidazol-1-ylmethanol
+CCc1c(n2cc(ccc2n1)C3CCN(CC3)S(=O)(=O)CCCN(C)C)N(C)c4nc(cs4)c5ccc(cc5)F	7HR	~{n}-[6-[1-[3-(dimethylamino)propylsulfonyl]piperidin-4-yl]-2-ethyl-imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-~{n}-methyl-1,3-thiazol-2-amine
+[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)C	7HS	(s)-2-acetamido-6-amino-n-((s)-5-guanidino-1-oxopentan-2-yl)hexanamide
+Cc1cnn(c1)C[C@H]2C[NH2+][C@@H](CN2CC(=O)N3CC(c4c3cc(nc4)Cc5ccccc5)(C)C)C	7HT	1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone
+C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(cn3)Cc4ccccc4)(C)C	7HU	1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone
+c1cc(c(cc1CNCCS(=O)(=O)O)Cl)Cl	7HV	2-[(3,4-dichlorobenzyl)amino]ethanesulfonic acid
+CC[C@H]([C@@H](C/C=C\C/C=C\C/C=C\CC=CC/C=C\CCC(=O)O)O)O	7HW	(4z,7z,10z,13z,16z,19r,20r)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid
+c1c[nH]c2c1c(ncn2)O	7HX	7h-pyrrolo[2,3-d]pyrimidin-4-ol
+CCN(CC)C(=O)C[C@@H](C(=O)N[C@@H](C)C(=O)NCc1cccc2c1cccc2)NC(=O)CCc3ccccc3	7HY	n,n-diethyl-n~2~-(3-phenylpropanoyl)-l-asparaginyl-n-[(naphthalen-1-yl)methyl]-l-alaninamide
+Cc1cc(no1)C(=O)N[C@@H](CC(=O)NOC(C)(C)C)C(=O)N[C@@H](COC)C(=O)NCc2cccc3c2cccc3	7HZ	n-tert-butoxy-n~2~-(5-methyl-1,2-oxazole-3-carbonyl)-l-asparaginyl-o-methyl-n-[(naphthalen-1-yl)methyl]-l-serinamide
+CC/C(=C(/c1ccc(cc1)/C=C/C(=O)O)\c2ccc3c(c2)c[nH]n3)/c4ccc(cc4Cl)F	7I0	(2e)-3-{4-[(1e)-2-(2-chloro-4-fluorophenyl)-1-(2h-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid
+Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)NCc4cccc5c4cccc5	7I1	3-methyl-n-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide
+c1cc2cn(nc2c(c1)[N+](=O)[O-])C(=N)N	7I2	7-nitroindazole-2-carboxamidine
+c1cc(ccc1/C=C/C(=O)O)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	7I5	(2e)-3-(4-{[(1s,2r,4s,5s,6s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid
+CSCC[C@@H](C(=O)N1CCC[C@@H]1c2ccccc2SC)NC(=O)NCc3ccc(cc3)N	7I6	1-(4-aminobenzyl)-3-[(2s)-4-(methylsulfanyl)-1-{(2r)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea
+COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)OCCCCN5CCCCC5)c6ccc(cc6)O	7I9	(1r,2s,4r,5r,6r)-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-6-(4-propoxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
+c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)O	7IA	[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N	7ID	(2~{s})-4-[[(2~{s})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid
+c1cc(ncc1CN(CC(F)F)C2=CC(=O)OC2)Cl	7IE	flupyradifurone
+COCCNc1cc(ncc1CN)NC(=O)N2CCCc3c2nc(cc3)C(=O)C(F)(F)F	7IF	n-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide
+CCc1c(c(nc(n1)N)N)c2ccc(cc2)NCc3cc(cc(c3)F)F	7IG	5-{4-[(3,5-difluorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine
+CC(C)[C@@H]1CNC(=O)c2n1nc(c2)c3ccnc(c3)NC(=O)C4CC4	7IH	n-{4-[(7r,8r)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide
+CC(c1ccc(nc1)C(F)(F)F)[S@](=NC#N)(=O)C	7II	sulfoxaflor
+C[C@@H]1COCCN1c2cc3n(n2)[C@@H](CNC3=O)C(C)C	7IK	(7r,8r)-2-[(3r)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
+C[C@H]([C@@H](C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)[C@H](CCO)O)NC(=O)[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)O	7IM	n-[(2s)-3-{[(1s)-1-carboxy-2-phenylethyl]amino}-2-methyl-3-oxopropanoyl]-l-threonyl-n-[(3s,4s)-1,3-dihydroxy-6-methylheptan-4-yl]-l-allothreoninamide
+c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)NCc2ccc(cc2)C(=N)N	7IN	n-(benzylsulfonyl)seryl-n~1~-{4-[(z)-amino(imino)methyl]benzyl}serinamide
+COc1cccc(c1)c2cccc(c2)CCc3cccc(n3)N	7IP	6-[2-(3'-methoxybiphenyl-3-yl)ethyl]pyridin-2-amine
+C[C@@H]1COCCN1c2cc3n(n2)[C@@H]4CCC[C@@H]4NC3=O	7IQ	(5as,8ar,9s)-2-[(3r)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4h-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one
+CN1CCC[C@H]1COc2nc3c(cnc(c3F)c4cccc5c4c(ccc5)Cl)c(n2)N6CCNCC6	7IZ	7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-4-(piperazin-1-yl)pyrido[4,3-d]pyrimidine
+COC[C@@H](C(=O)NCc1cccc2c1cccc2)NC(=O)[C@H](CC(=O)N3CCCCC3)NC(=O)CCc4ccccc4	7J0	(2~{s})-~{n}-[(2~{s})-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-2-(3-phenylpropanoylamino)-4-piperidin-1-yl-butanamide
+COC[C@@H](C(=O)NCc1cccc2c1cccc2)NC(=O)[C@H](CC(=O)n3cccc3)NC(=O)CCc4ccccc4	7J1	(2s)-n-{(2s)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1h-pyrrol-1-yl)butanamide (non-preferred name)
+Cc1cc(ccc1F)c2cnc(nc2)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)C(C)C	7J2	(4s)-3-[2-({(1s)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one
+C1CCN(CC1)C(=O)C[C@@H](C(=O)O)N	7J3	(2s)-2-amino-4-oxo-4-(piperidin-1-yl)butanoic acid
+CC(C)(C)ONC(=O)C[C@@H](C(=O)O)N	7J4	n-tert-butoxy-l-asparagine
+CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)C(=O)N	7J5	4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide
+C[C@@H]1CN([C@H](C[NH2+]1)C(=O)N2CCOCC2)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C	7J6	1-[3,3-dimethyl-6-(phenylmethyl)-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone
+Cc1c(c(c([nH]1)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c[nH]4)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	7J8	3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{h}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{h}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{h}-pyrrol-2-yl]methyl]-1~{h}-pyrrol-3-yl]propanoic acid
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCC(=O)O)O	7J9	6-{4-[(1s,4s,6r)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic acid
+CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O	7JA	n-({(1r,2s)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetyl)-l-isoleucine
+CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c3ccccc3C2=O	7JB	~{n}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide
+Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)C)S(=O)(=O)NC4(CC4)C	7JC	1-methyl-~{n}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide
+c1cc(ccc1c2cc3c(c(c2)O)N=CNC3=O)F	7JD	6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+Cn1c2ccc(cc2cn1)[C@@H](c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O	7JE	5-(4-fluorophenyl)-~{n}-[[3-[(~{r})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide
+c1cc(ccc1c2c(c(c(c3c2C(=O)NC=N3)O)F)c4ccc(cc4)F)F	7JF	7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+c1cc(ccc1c2cc(c3c(c2c4ccc(cc4)F)C(=O)NC=N3)O)F	7JG	5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+Cc1c(sc(n1)C)c2cc3c(c(c2)O)N=CNC3=O	7JH	6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{h}-quinazolin-4-one
+CC1=CC=CN2C1=[N+](C(=C(C2=O)c3cc(cc(c3)Cl)Cl)[O-])Cc4cnc(s4)Cl	7JI	3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione
+c1cc(ccc1c2cc(c3c(c2Cl)C(=O)NC=N3)O)F	7JJ	5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+Cc1cc(sc1c2cc3c(c(c2)O)N=CNC3=O)C(=O)N4CCN(CC4)C	7JK	6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{h}-quinazolin-4-one
+c1c(cc(c2c1C(=O)NC=N2)O)Br	7JL	6-bromanyl-8-oxidanyl-3~{h}-quinazolin-4-one
+Cc1c(cccn1)c2cc3c(c(c2)O)N=CNC3=O	7JM	6-(2-methylpyridin-3-yl)-8-oxidanyl-3~{h}-quinazolin-4-one
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)[C@@H]4C[C@H]4CNC(=O)c5cc(cc(c5O)O)c6ccc(cc6)F)O	7JN	4'-fluoro-4,5-dihydroxy-n-{[(1r,2r)-2-{(2s,4r,5r)-4-hydroxy-5-[6-(methylamino)-9h-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide
+C[C@H](C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)NC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F	7JO	n-[1-[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
+c1cc(ccc1c2cc3c(c(c2)O)N=CN(C3=O)CCCCCn4ccc5c4ccnc5)F	7JP	6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one
+c1cc(ccc1c2cc3cncnc3c(c2)O)F	7JQ	6-(4-fluorophenyl)quinazolin-8-ol
+CN1C=C(C=C(C1=O)O)c2ccccc2	7JR	1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one
+c1cc2cc(cc(c2nc1)O)c3ccc(cc3)F	7JS	6-(4-fluorophenyl)quinolin-8-ol
+c1cc2c(cc1Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO)OCO2	7JT	(3r)-3-{3-[(2h-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-n-hydroxybutanamide
+c1cc(ccc1c2cc3c(c(c2F)O)N=CNC3=O)F	7JU	7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{h}-quinazolin-4-one
+COCc1ccccc1c2cc3c(c(c2)O)NC=NC3=O	7JV	6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{h}-quinazolin-4-one
+c1cc(ccc1c2cc3c(c(c2)O)nccn3)F	7JW	7-(4-fluorophenyl)quinoxalin-5-ol
+c1c2cc(cnc2c(cc1Br)O)Cl	7JX	6-bromanyl-3-chloranyl-quinolin-8-ol
+c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCCCC(=O)O)c5ccc(cc5)O	7JY	7-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid
+C([C@@H]1[C@@H]([C@@H](C([C@@H](O1)O)(F)F)O)O)O	7JZ	2-deoxy-2,2-difluoro-beta-d-lyxo-hexopyranose
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CN)NP(=O)(CNC(=O)OCc1ccccc1)O	7K0	(2~{s})-2-[[(2~{s})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid
+Cc1ccc(c(c1)c2ccccc2)c3c(c4cccnc4[nH]3)CCC(=O)N5CCOC[C@H]5c6[nH]c7ccccc7n6	7K1	1-[(3~{r})-3-(1~{h}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one
+C1[C@@H]([C@H]([C@@H](CN1)O)O)CS[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	7K2	[(3s,4r,5r)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-d-mannopyranoside
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)S)O)O)O)O	7K3	1-thio-alpha-d-mannopyranose
+C[C@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3	7K4	2-fluoranyl-5-[2-[(4~{s})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCCC(=O)O)O	7K6	7-{4-[(1s,4s,6r)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}heptanoic acid
+C[C@@H]1C[NH2+]CCCN1S(=O)(=O)c2cccc3c2ccnc3	7K7	5-[[(2~{r})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline
+C\1CN(C(=O)N/C1=N/O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	7K8	[(2~{r},3~{s},5~{r})-5-[(4~{e})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1cc(c(c(c1)O)O)C(=O)NCCCN(CCCCN(CCCNC(=O)c2cccc(c2O)O)C(=O)c3cccc(c3O)O)C(=O)c4cccc(c4O)O	7K9	n,n'-(butane-1,4-diyl)bis(n-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide)
+C[C@@H](C1=Nn2cccc2C(=O)N1c3ccccc3)Nc4c(c(ncn4)N)C#N	7KA	4-azanyl-6-[[(1~{s})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
+Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3	7KB	5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline
+Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C	7KC	pf-3758309
+CNC(=O)c1ccc(cc1)Nc2ncc(c(n2)NCc3c(nccn3)N(C)S(=O)(=O)C)C(F)(F)F	7KD	~{n}-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
+c1cc(ccc1c2nc(on2)CCCO)Cl	7KE	3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
+Cc1cccc(c1)Nc2c3c(nc(n2)N[C@@H]4CCCC[C@@H]4N)CNC3=O	7KF	2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5h-pyrrolo[3,4-d]pyrimidin-5-one
+Cn1cc(cn1)c2c3c(c(c(n2)N[C@@H]4CCCC[C@@H]4N)F)CNC3=O	7KG	6-{[(1r,2s)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1h-pyrazol-4-yl)-1,2-dihydro-3h-pyrrolo[3,4-c]pyridin-3-one
+[H]/N=C/c1nc(nc(n1)N(Cc2cn3ccccc3n2)C4CCCC4)N5CCOCC5	7KH	~{n}-cyclopentyl-~{n}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
+Cc1c(c(on1)C)CN[C@@H]2CCc3c(sc4c3C(=O)N(C=N4)Cc5ccc(c6c5cccc6)OC)C2	7KJ	(7~{r})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
+c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4cc(c(cc4F)Br)F)Cl	7KK	4-bromo-n-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide
+c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CC(=O)O)c5ccc(cc5)O	7KL	3-{4-[(1s,4s,6r)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccc3	7KM	4-fluoro-5-methyl-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
+c1cnc(cn1)CN(c2nc(nc(n2)N3CCOCC3)C=[N-])C4CCCC4	7KN	[4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide
+c1cc(cnc1)CN(Cc2cccnc2)c3cc(nc(n3)N)Cl	7KO	6-chloro-n~4~,n~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
+c1cc(ccc1/C=C/c2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	7KP	(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[3-[(~{e})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4 ,5-triol
+CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)OCCc4cccc(c4)[C@H](C1=O)Nc5ccc6c(c5)ccnc6N	7KQ	(5r)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione
+CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)CCc4cccc(c4)[C@H](C1=O)Nc5ccc6c(c5)ccnc6N	7KR	(11r)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione
+C[C@@H]1CC(=O)Nc2ccc(c(c2)CN(C(=O)[C@@H](c3ccc(c1c3)OCC(F)F)Nc4ccc5c(c4)c(cnc5N)F)C)S(=O)(=O)C6CC6	7KS	(5r,11r)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione
+Cc1cc(c(c(c1)C)S(=O)(=O)NC)C	7KT	~{n},2,4,6-tetramethylbenzenesulfonamide
+CCC(=O)N1CCC[C@H](C1)Nc2c3cc[nH]c3ncn2	7KU	1-{(3r)-3-[(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
+CCC(=O)N1CC[C@H]2CCN([C@H]2C1)c3c4cc[nH]c4ncn3	7KV	1-[(3ar,7ar)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6h-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one
+c1ccc(cc1)c2c(c[nH]n2)c3ccnc(n3)Nc4ccccc4	7KW	n-phenyl-4-(5-phenyl-1h-pyrazol-4-yl)pyrimidin-2-amine
+CCC(=O)Nc1cccc(c1)c2c3cc[nH]c3ncn2	7KX	n-[3-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide
+COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccc(cc3)Br)Cl)O)O	7KY	methyl 2-(2-{1-[(4-bromophenyl)methyl]-1h-imidazol-2-yl}ethyl)-3-chloro-4,6-dihydroxybenzoate
+CCCCCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC	7KZ	n4-(1-methylpiperidin-4-yl)-n2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine
+CC(=O)Nc1nc2ccc(cn2n1)c3cc(cnc3)S(=O)(=O)C	7L0	n-[6-(5-methylsulfonylpyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamide
+CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O	7L1	s-{(3s,5r,9r)-1-[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate
+CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3c[n+](c4c3N=C(NC4=O)N)C)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6NC(=NC7=O)N)O)O)S)C	7L2	[[[(3~{a}~{r},4~{r},6~{r},6~{a}~{r})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CC(C)(C)c1ccc(cc1)S(=O)(=O)/N=C\2/N(N=C(S2)S(=O)(=O)N)C	7L3	(5z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide
+c1ccc(cc1)c2cc(c3ccccc3n2)O	7L4	2-phenylquinolin-4-ol
+Cc1c(c(n(n1)C)C)N(C(F)F)S(=O)(=O)c2c(cc(cc2Cl)CCCC3CCNCC3)Cl	7L5	2,6-dichloro-n-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC	7L6	6,7-dimethoxy-n-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine
+COC(=O)/C(=C\1/N(C(=O)CS1)c2ccccc2F)/C#N	7L7	methyl (2~{z})-2-cyano-2-[3-(2-fluorophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate
+CN1CCC[C@H]1COc2nc3c(cnc(c3F)c4cc(cc5c4cccc5)O)c(n2)N6C[C@H]7CC[C@@H](C6)N7	7L8	4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
+c1cc(cc(c1)C(=O)O)c2cc(ncc2C(=O)O)C(=O)O	7L9	4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid
+C[C@@H](C/C=C/c1cc(cnc1)Oc2ccccc2)NC	7LB	(e,2s)-n-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine
+CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C	7LD	(8alpha)-n,n-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide
+CC/C=C\C[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O	7LE	(5z,8z,11z,14r,15r,17z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid
+Cc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(cc4)F	7LF	1-(4-fluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium
+CCCCCCN([C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)F)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]3CCCCN3C	7LG	(2~{s},4~{r})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-3-[hexyl-[(2~{s},3~{s})-3-methyl-2-[[(2~{r})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid
+c1cc(c(cc1CCC(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O)O	7LH	(1r,3r,4s,5r)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid
+CC(C)Oc1cccc(c1[N@]2CCC[C@H](C2)N)/C=C\3/C(=O)NC(=O)S3	7LI	(5z)-5-{2-[(3r)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione
+Cn1c(cc2c1nccc2C#N)c3ccc(cc3)N4CCNCC4	7LK	1-methyl-2-[4-(piperazin-1-yl)phenyl]-1h-pyrrolo[2,3-b]pyridine-4-carbonitrile
+c1ccc2c(c1)ccc(c2/C=N\NC(=O)c3ccccc3O)O	7LL	2-hydroxy-n'-[(z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCc2ccccc2)O)O	7LM	n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide
+c1cc(cc(c1)NC(=N)c2cccs2)CO[C@@H](CN)COCc3cccc(c3)/N=C(\c4cccs4)/N	7LN	n,n''-{[(2s)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
+C[n+]1cn(c2c1c(nc(n2)N)O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)n5cnc6c5N=C(NC6=O)N)O)O)[SeH])O)OC	7LO	[[[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-selanyl-phosphoryl] [(2~{r},3~{s},4~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CCCCCCCC(=O)NC(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	7LP	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(6-phenylhexyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide
+C1C=C[C@H]([C@@H]([C@H]1CO)O)O	7LQ	(1~{r},2~{r},6~{r})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol
+CS(=O)(=O)N(CC(=O)N)c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N	7LR	n-(2-amino-1h-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]-5-chlorophenyl]acetamide
+c1ccc2c(c1)C(=O)c3cc(ccc3N2)NC4=NC(=O)N(C=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	7LS	2-[[1-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{h}-acridin-9-one
+CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)CCc5ccccc5)Cl)Cc6ccc(cc6)Cl	7LT	(5~{r},13~{s},17~{s})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone
+c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)Cl)O)O)O	7LU	2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one
+CN1Cc2cnc3ccc(nc3c2N(C1=O)C4CCC(CC4)CN(C)C)c5cc(c(c(c5)Cl)O)Cl	7LV	9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3-methyl-3,4-dihydropyrimido[5,4-c][1,5]naphthyridin-2(1h)-one
+CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)Cl)Cl)Cc5ccc(cc5)S(=O)(=O)C	7LW	(5~{r},13~{s},17~{s})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone
+CCOc1ccc(cc1OC)[C@H](C(=O)O)Nc2ccc3cnccc3c2	7LX	(2~{r})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid
+c1ccc(cc1)COc2cc(ccc2C(=O)Nc3ccc4c(c3)CCNCC4)c5c[nH]nc5	7LY	2-(benzyloxy)-4-(1h-pyrazol-4-yl)-n-(2,3,4,5-tetrahydro-1h-3-benzazepin-7-yl)benzamide
+C[C@H]1CC[C@H]([C@@H]([C@@H](OC(=O)/C=C\C=C\[C@H]([C@H](C[C@@H](/C=C\[C@@H]([C@@H]([C@H](C1)C)O)C)O)O)C)[C@@H](C)/C=C\C=C)C)O	7LZ	(3~{z},5~{e},7~{r},8~{s},10~{s},11~{z},13~{s},14~{r},15~{s},17~{s},20~{r},21~{s},22~{s})-22-[(2~{s},3~{z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one
+c1c2c(cc(c1Br)Br)nn[nH]2	7M0	5,6-dibromobenzotriazole
+c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O	7M1	phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
+c1ccc-2c(c1)N[C@@H](c3n2ccc3)c4cccnc4	7M2	(4~{r})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline
+CN(C)Cc1cccc(c1)OCc2ccc3ccc(nc3c2)N	7M3	7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
+c1cc(ccc1C=CCCCC(=O)O)C2=C([C@@H]3C[C@@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O	7M4	6-{4-[(1s,4s,6s)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid
+c1ccc2c(c1)nc(c3n2ccc3)c4cccnc4	7M5	4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline
+c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF	7M6	7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
+c1cc(ccc1c2ccc(cc2c3ccc(cc3)O)S(=O)(=O)Oc4ccc(cc4)Br)O	7M7	4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
+Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5CCCO)C3=O)N(C(=O)N2C)C	7M8	6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
+c1ccc2c(c1)ccc(c2c3c4cccn4c5ccccc5n3)O	7M9	1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol
+CCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C	7MA	n-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-n-(pyridin-3-ylmethyl)ethanamide
+CN1C(=O)N[C@@H]2[C@]1(C[C@@H]3[C@H]2NC(=O)c4n3c(cc4)Br)O	7MB	agelastatin a
+CC(=O)N[C@@H](CC(=O)O)C(=O)N[P@@](=O)(OCCCN)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	7MC	5'-o-[(r)-[(n-acetyl-l-alpha-aspartyl)amino](3-aminopropoxy)phosphoryl]adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(NC(=O)[C@H](CC(=O)O)N)OCCCN)O)O)N	7MD	5'-o-[(r)-(3-aminopropoxy)(l-alpha-aspartylamino)phosphoryl]adenosine
+C[C@H]1CCc2c(nc(nc2N)N)C1	7ME	(7s)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
+c1ccc(cc1)c2ccc(c3c2CC([C@H](CC3)[NH3+])(O)O)Br	7MF	[(7~{s})-1-bromanyl-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	7MG	7n-methyl-8-hydroguanosine-5'-monophosphate
+CC1=CC(=S)N(C(=C1)C)O	7MH	1-hydroxy-4,6-dimethylpyridine-2(1h)-thione
+C[C@@]12CCC(=O)C([C@H]1C(=O)[C@H]([C@]3([C@H]2CC(=C)[C@@]4([C@@H]3C(=O)O[C@](C4=O)(C)C(=O)OC)C)C)O)(C)C	7MI	methyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene) -5,6a,9,10,10b,11-hexahydro-4ah-naphtho[1,2-h]isochromene-2-carboxylate
+CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3[nH]nc(n3)Cc4ccccc4	7MJ	3-benzyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1h-1,2,4-triazole-5-carboxamide
+c1ccc2c(c1)CC[C@@H](C(C2)(O)O)[NH3+]	7MK	[(7~{s})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
+c1ccc(cc1)c2cccc3c2CC([C@H](CC3)[NH3+])(O)O	7ML	[(7~{s})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
+COC(=O)N[C@H]1CCC[C@@H]1[C@](CN2CCC2)(c3cccc(c3)F)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)C7CN(C7)C(=O)CCCN8CCCCC8	7MM	methyl [(1s,2r)-2-{(1s)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate
+CC1=C(/C(=C\[NH+]=C(/C[N@@]2CCc3c2cccc3)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	7MN	(z)-n-[(1e)-1-carboxy-2-(2,3-dihydro-1h-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methanaminium
+Cc1ccc(cc1N2C=C3C=NC(=NC3=[N+](C2=O)C)N)NC(=O)c4cccc(c4)C(F)(F)F	7MP	7-amino-1-methyl-3-(2-methyl-5-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	7MQ	menaquinone-7 (altered)
+c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C[C@@](C(=O)NO)(C(F)(F)F)N	7MR	(2r)-2-amino-3,3,3-trifluoro-n-hydroxy-2-{[(4-phenoxyphenyl)sulfonyl]methyl}propanamide
+CC[C@H]([C@@H](C/C=C\C/C=C\CC=CC/C=C\CCCC(=O)O)O)O	7MS	(5z,8z,11z,14z,17r,18r)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid
+c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9	7MT	tb-xo4
+CNC(=O)c1cc(ccn1)Cl	7MU	4-chloranyl-~{n}-methyl-pyridine-2-carboxamide
+c1ccc(cc1)CNC(=O)c2ccc3c(c2)ccn3Cc4ccc(c(c4)F)Cl	7MV	n-benzyl-1-[(4-chloro-3-fluorophenyl)methyl]-1h-indole-5-carboxamide
+CCC(=O)c1cc([nH]c1)C(=O)OC	7MW	methyl 4-propanoyl-1~{h}-pyrrole-2-carboxylate
+CCOC(=O)C1=CN(C(=O)C=C1Cl)C	7MX	ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
+CC1(c2cnc(nc2N(C1=O)[C@H]3CCc4c3cccc4O)Nc5cccc(c5)CN6CCCC6)C	7MY	7-[(1s)-4-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6h-pyrrolo[2,3-d]pyrimidin-6-one
+CC(=O)c1cccc(c1)Oc2ncccn2	7MZ	1-(3-pyrimidin-2-yloxyphenyl)ethanone
+C1C[C@H](C(=O)C1)CC(=O)O	7N0	2-[(1~{s})-2-oxidanylidenecyclopentyl]ethanoic acid
+c1cc2c(cc1C#N)cc(cc2Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F)F	7N1	5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile
+c1ccc2c(c1)-n3cccc3[C@H](N2S(=O)(=O)c4cccc(c4)C(F)(F)F)c5cccnc5	7N2	(4~{r})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{h}-pyrrolo[1,2-a]quinoxaline
+c1ccc2c(c1)C(=O)NC(=N2)SCC(=O)Nc3c(ccs3)C(=O)N	7N3	2-[2-[(4-oxidanylidene-3~{h}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide
+B(c1ccc(c(c1)Cl)OCc2ccccc2F)O	7N4	{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid
+CCCCC(=O)C(=O)O	7N5	2-ketohexanoic acid
+CCCC[C@H](C(=O)O)O	7N6	(2r)-2-hydroxyhexanoic acid
+B(c1ccc2ccccc2c1)(O)O	7N7	naphthalen-2-ylboronic acid
+B(c1ccc(cc1)C[C@@H](C(=O)O)N)(O)O	7N8	4-borono-l-phenylalanine
+COc1ccc(cc1C[NH3+])Cl	7N9	(5-chloranyl-2-methoxy-phenyl)methylazanium
+Cc1cc(cc2c1ccc(c2C(=O)O)O)OC	7NA	2-hydroxy-7-methoxy-5-methyl naphthoic acid
+CCc1c(n2cc(cc(c2n1)C)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)c5nc(c(s5)C#N)c6ccc(cc6)F	7NB	2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
+CC1=CC(=O)NC(=N1)SCC(=O)c2cccc3c2cccc3	7NC	4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{h}-pyrimidin-6-one
+B(c1cc(cc(c1)Br)Oc2ccccc2)(O)O	7ND	(3-bromo-5-phenoxyphenyl)boronic acid
+CCOC(=O)c1nc(cs1)C(=O)O	7NF	2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid
+CCNc1c(cc2c(c(oc2n1)c3ccc(cc3)F)C(=O)NC)c4cccc(c4)C(=O)NC(C)(C)C	7NG	5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-n-methylfuro[2,3-b]pyridine-3-carboxamide
+c1cc(cc(c1)c2cccc(c2O)c3cc4cnccc4[nH]3)CNC(=O)N	7NH	[2'-hydroxy-3'-(1h-pyrrolo[3,2-c]pyridin-2-yl)-biphenyl-3-ylmethyl]-urea
+c1cc2cn[nH]c2c(c1)[N+](=O)[O-]	7NI	7-nitroindazole
+B(c1ccc(c(c1)Br)C)(O)O	7NJ	(3-bromo-4-methylphenyl)boronic acid
+c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)O	7NL	4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2r,4r,7as)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
+B(c1ccc(c(c1)OCc2ccccc2)C)O	7NM	[3-(benzyloxy)-4-methylphenyl]borinic acid
+C[C@H]1CCc2ccc(cc2C1=O)OC	7NP	(2s)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2h)-one
+CCC(=O)Nc1nc2ccccc2c(n1)OCC	7NQ	~{n}-(4-ethoxyquinazolin-2-yl)propanamide
+B(c1cc(cc(c1)Br)N2CCCC2)O	7NS	[3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
+CCC(=O)Nc1nc(c2ccsc2n1)N3CCOCC3	7NT	~{n}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide
+c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)[C@H]3CO3)O)O)O	7NU	phenyl 6,7-anhydro-d-glycero-beta-d-galacto-heptopyranoside
+CCCCNC(=O)[C@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3	7NV	5-[[[(1s)-2-(butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+Cc1nc(cs1)C(=O)O	7NW	2-methyl-1,3-thiazole-4-carboxylic acid
+C1CCC(CC1)COC(=O)O	7NX	cyclohexylmethyl hydrogen carbonate
+c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OC[C@]56CCCN5C[C@H](C6)F)N7C[C@H]8CC[C@@H](C7)N8)F)O	7NZ	4-(4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2s,4s,7ar)-2-fluorotetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol
+c1ccc(cc1)Cc2cccc(c2)c3cc(ccc3O)/C=C/C(=O)O	7O0	(~{e})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid
+c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](CC(c2ccccc2)c3ccccc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)O	7O2	[(2~{s})-2-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4,4-diphenyl-butyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid
+c1cc2c(cc1NC(=O)CCl)ncnc2Nc3cc(ccc3Cl)O	7O3	2-chloranyl-~{n}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide
+c1cc(oc1)c2cc([nH]n2)C(=O)O	7O4	3-(furan-2-yl)-1h-pyrazole-5-carboxylic acid
+C([C@@H](C(=O)O)N)NC(=O)CS	7O5	(2~{s})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid
+Cc1cc2c(cc1C=O)[n+](c3c(n2)C(=O)NC(=O)N3)C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O	7O6	[(2~{s},3~{r},4~{r})-5-[8-methanoyl-7-methyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	7O7	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1cc(ccc1CSc2ccc(s2)S(=O)(=O)N)Cl	7O8	5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide
+c1cc(cc(c1)NC(=O)c2ccc(cc2)C(F)(F)F)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O	7O9	(2~{s},3~{s})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	7OA	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
+c1cc(cc(c1)C(F)(F)F)C2=C([N+](=C3C=CC=CN3C2=O)Cc4cncnc4)[O-]	7OB	4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate
+CCCCCCC/C=C/CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC/C=C/CCCCCCC	7OC	[3-[(~{e})-octadec-10-enoyl]oxy-2-oxidanyl-propyl] (~{e})-octadec-10-enoate
+CC[C@H](C/C=C(\C)/C(=O)O)O	7OD	(2e,5r)-5-hydroxy-2-methylhept-2-enoic acid
+C#Cc1c(ccc2c1c(ccc2)c3c(c4c(cn3)c(nc(n4)OCC56CCCN5CCC6)N7C[C@H]8CC[C@@H](C7)N8)F)F	7OE	4-[(1r,5s)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1h-pyrrolizin-7a(5h)-yl]methoxy}pyrido[4,3-d]pyrimidine
+c1cc(ncc1CN\2C=CC=C/C2=N\C(=O)C(F)(F)F)Cl	7OF	(~{n}~{e})-~{n}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide
+Cc1cc(n2c(n1)ncn2)[C@H]3CCCN(C3)C(=O)c4ccc5ccccc5c4	7OG	[(3s)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone
+c1ccc(cc1)COc2ccc(cc2)N(CC(F)(F)F)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O	7OI	(1s,2r,4s)-n-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F	7OJ	(3-bromo-4-fluorophenyl)[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
+C\1=CN(C(=O)N/C1=N/O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	7OK	n-hydroxycytidine 5'-(dihydrogen phosphate) tautomer
+c1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	7OL	(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol
+Cc1cc(n2c(n1)ncn2)N3CCC[C@H](C3)C(=O)Nc4ccc5ccccc5c4	7OM	(3~{r})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{n}-naphthalen-2-yl-piperidine-3-carboxamide
+CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](Cc1cc(cc(c1)c2ccccc2)c3ccccc3)CP(=O)([C@H](CCc4ccccc4)N)O	7OO	[(2~{s})-3-[[(2~{s})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{r})-1-azanyl-3-phenyl-propyl]phosphinic acid
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(cc4)F)(F)F	7OP	[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone
+c1cc(ccc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	7OQ	(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-oxidanylphenoxy)oxane-3,4,5-triol
+COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCc5ccccc5)c6ccc(cc6)O	7OR	(1s,2r,4s)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-n-(4-methoxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+C[C@@H](c1cc(ccc1OC(F)(F)F)F)N2CCC(CC2)[C@H]3CCc4ccc(cc4O3)[C@H](C5CC5)[C@H](C)C(=O)O	7OS	(2s,3r)-3-cyclopropyl-3-[(2r)-2-(1-{(1s)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2h-1-benzopyran-7-yl]-2-methylpropanoic acid
+CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)/C)/C)/C)C	7OT	spheroidene
+c1c2c(cc(c1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)C=C2	7OU	6-[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)I)F)(F)F	7OV	[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)C(=O)[C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)OC(=O)/C=C/C=C/C=CC=CC(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C	7OX	7-oxo-simocyclinone d8
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Cl)F)(F)F	7OY	(3-chloro-4-fluorophenyl)[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
+C(CF)[C@@H](C(=O)O)N	7OZ	(s)-2-amino-4-fluorobutanoic acid
+c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O	7P0	n-[(1s)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCP(=O)(O)O	7P1	2-[(2-carboxyphenyl)amino]-5-(3-phosphonopropoxy)benzoic acid
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCP(=O)(O)O	7P2	2-[(2-carboxyphenyl)amino]-5-(4-phosphonobutoxy)benzoic acid
+c1ccc(c(c1)C(=O)O)Nc2ccc(cc2C(=O)O)OCCCCCP(=O)(O)O	7P3	2-[(2-carboxyphenyl)amino]-5-[(5-phosphonopentyl)oxy]benzoic acid
+Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)F)F)(F)F	7P4	[(5s)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](3,4-difluorophenyl)methanone
+[H]/N=C(/c1cc2c(s1)C(=CN(C2=O)C)c3ccc(c(c3)OC)OCC(=O)NCCCCCCOc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)\NC7CCS(=O)(=O)CC7	7P7	n-[6-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[n-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide
+CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)O	7P9	[(2r)-2-heptanoyloxy-3-phosphonooxy-propyl] nonanoate
+C(CP(=O)(O)O)CP(=O)(O)O	7PA	propane-1,3-diylbis(phosphonic acid)
+c1ccnc(c1)c2ccc(c(c2)O)Oc3ccc(cc3Cl)CN	7PC	2-[4-(aminomethyl)-2-chlorophenoxy]-5-pyridin-2-ylphenol
+C1=NC2=C(NC1=O)N=C(NC2=O)N	7PD	2-aminopteridine-4,7(3h,8h)-dione
+CCOCCOCCOCCOCCOCCOCCO	7PE	2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethanol
+CC1(C[C@H]2C=C([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C	7PF	pentalenolactone f
+COCCOCCOCCOCCOCCOCCOCCOCCO	7PG	2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol
+CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O	7PH	(1r)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate
+C(C(=O)O)Sc1[nH]c2c(n1)C(=O)NC(=N2)N	7PJ	[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]acetic acid
+c1ccc(cc1)[C@H](C(=O)O)Sc2[nH]c3c(n2)C(=O)NC(=N3)N	7PM	(2r)-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl](phenyl)acetic acid
+Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)C#CCC(C)(C)O	7PP	5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol
+c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CN	7PQ	4-[2-(aminomethyl)naphthalen-1-yl]-n-[2-(morpholin-4-yl)ethyl]benzamide
+CC(=O)O[Pr](OC(=O)C)OC(=O)C	7PR	praseodymium triacetate
+CNC(=O)CSc1[nH]c2c(n1)C(=O)NC(=N2)N	7PS	2-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]-n-methylacetamide
+C[C@H]1[C@H]2C=C([C@H]3[C@]2(C=C1C)[C@@]4(CO4)C(=O)OC3)C(=O)O	7PT	pentalenolactone
+c1cc(ccc1CCSc2[nH]c3c(n2)C(=O)NC(=N3)N)S(=O)(=O)N	7PV	4-{2-[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5c(cc(cc5F)c6ccc(cc6)F)F	7PW	n-[(1r)-2-(1h-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
+COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4ccccn4	7PY	7-pyridin-2-yl-n-(3,4,5-trimethoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+c1ccc(cc1)[C@@H]2C(=O)NC(=O)O2	7Q1	(5r)-5-phenyl-1,3-oxazolidine-2,4-dione
+COC(=O)/C=C\c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	7Q5	methyl 3-(4-{[(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate
+COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4cccc5c4cc[nH]5	7Q7	2-(1h-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1h-imidazo[4,5-c]pyridine
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC	7Q9	[(2~{r})-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] (~{z})-octadec-9-enoate
+C[C@H](C(=O)O)NC(=O)[C@H](CCC[C@H](C(=O)O)N)NC(=O)O	7QA	(2r,6s)-2-amino-6-(carboxyamino)-7-{[(1r)-1-carboxyethyl]amino}-7-oxoheptanoic acid
+Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CN4CCN(CC4)c5ccc(c(c5)OC)Nc6cc(c(cn6)C(F)(F)F)Nc7ccccc7C(=O)NC)O	7QB	(2s,4r)-4-hydroxy-1-((s)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-n-((s)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
+C(C(=O)C(=O)O)[C@](CC(=O)O)(C(=O)O)O	7QD	(2s)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
+C(=N/O)(\C(=O)O)/C(F)(F)F	7QE	(2z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid
+C(=NNC(=O)N)(C(=O)O)C(F)(F)F	7QH	(2e)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid
+CN[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)CO)O	7QM	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-d-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside
+Cc1c(ccc2c1CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C)O	7QN	(e)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1h-isoquinolin-1-yl)phenyl]prop-2-enoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H]2C[C@@H](CC[C@H]2C)C(=O)O)O	7QP	(1r,3s,4r)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid
+CC(=O)Nc1nc2cc(ccc2s1)OC	7QQ	n-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide
+c1ccc(cc1)[C@@H]2C(=O)NC(=O)S2	7QS	(5r)-5-phenyl-1,3-thiazolidine-2,4-dione
+CC(=O)N1CCN(CC1)C2CC(C2)n3cc(c4c3ncnc4N)c5ccc(c(c5)N)Cl	7QU	1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one
+COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=O)O2	7QV	(5r)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione
+COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=O)S2	7QY	(5r)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
+c1cc(ccc1/C=C/2\C(=O)N(C(=N2)[C@H](Cc3c[nH]cn3)N)CC(=O)O)O	7R0	2-[(4e)-2-[(1s)-1-azanyl-2-(1h-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=S)S2	7R1	(5r)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
+[H]/N=C(\c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC	7R2	n-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide
+c1cc(ccc1Cc2cc(ccc2Cl)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4CCOC4	7R3	(2s,3r,4r,5s,6r)-2-[4-chloranyl-3-[[4-[(3s)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
+c1ccc(cc1)C[C@@H]2C(=O)NC(=S)S2	7R4	(5r)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
+c1cc(ccc1/C=C/2\C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O	7R6	2-[(4e)-4-[(4-hydroxyphenyl)methylidene]-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=S)O2	7R7	(5r)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one
+CN(C)[C@H]1CCN(C1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cccc(c3OC(F)F)N4CCCCC4=O	7R9	5-chloro-thiophene-2-carboxylic acid [(s)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((s)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide
+c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)N	7RA	7-alpha-d-ribofuranosyl-2-aminopurine-5'-phosphate
+C1CN(C[C@@H](N1)C(=O)O)CCCP(=O)(O)O	7RC	(2r)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid
+C/C(=C\[C@@]1(C(=C(C(=O)S1)CCCCN=[N+]=[N-])O)C)/C=C	7RD	(r,e)-3-(4-azidobutyl)-4-hydroxy-5-methyl-5-(2-methylbuta-1,3-dien-1-yl)thiophen-2(5h)-one
+CC1=NC(=O)CC=C1	7RE	6-methyl-3h-pyridin-2-one
+C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C4CCOCC4)C(=O)N2)Cc5ncccn5	7RG	6-[(3s,4s)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2h-pyran-4-yl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CNC(=O)c1c2cc(ccc2[nH]n1)Br	7RI	5-bromanyl-n-methyl-1h-indazole-3-carboxamide
+CC(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	7RM	5'-o-(acetylsulfamoyl)adenosine
+Cc1ccc(s1)c2cc(n[nH]2)C(=O)NC	7RN	n-methyl-3-(5-methylthiophen-2-yl)-1h-pyrazole-5-carboxamide
+CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)C(=O)N(C)C	7RO	tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate
+c1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	7RP	7-alpha-d-ribofuranosyl-purine-5'-phosphate
+Cc1ccc(cc1NC(=O)CNc2ccc(c(c2)F)F)CN3CCNCC3	7RS	n~2~-(3,4-difluorophenyl)-n-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide
+CNC(=O)c1cccc2c1cc[nH]2	7RT	n-methyl-1h-indole-4-carboxamide
+CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl	7RU	3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea
+c1ccc(cc1)N2CCN(CC2)C3(CCOCC3)CNC(=O)c4cccnc4Sc5ccccc5	7RV	n-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide
+C1C[C@@H](NC1)CC(=O)O	7RX	(r)-homoproline
+c1cc2c(ccc(n2)NCCNCCO)c(c1)NC(=O)CC34CC5CC(C3)CC(C5)C4	7RY	n-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide
+C[C@H](c1ccccc1)N/C(=N/c2cccc3c2cccn3)/NC#N	7S1	n-cyano-n'-[(1r)-1-phenylethyl]-n''-quinolin-5-ylguanidine
+CC(C)(C)[C@@H](NC(=O)Cc1ccc(c(c1)OC)OC)N/C(=N\C#N)/Nc2cccc3c2cccn3	7S4	n-{(1r)-1-[n''-cyano-n'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide
+Cc1cc(nc(c1)N)CCc2cccc(n2)[C@H](Cc3cc(cc(n3)N)C)CN	7S7	6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)propyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCN(C)C	7S9	6-[2-[5-[2-(dimethylamino)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H]([C@H](C=C3CO)N[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O)CO)CO)C)O)O)CO)O)O)N[C@H]7C=C([C@H]([C@@H]([C@H]7O)O)O)CO	7SA	acarbose derived heptasaccharide
+c1cc(oc1)c2[nH]nc(n2)NCc3ccc(cc3)Cl	7SB	n-(4-chlorobenzyl)-5-(furan-2-yl)-1h-1,2,4-triazol-3-amine
+Cc1cc(nc(c1CNC(=O)c2cnn(c2)Cc3ccc(cc3)Cn4cccn4)C)N	7SD	n-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1h-pyrazol-1-yl)methyl]phenyl}methyl)-1h-pyrazole-4-carboxamide
+c1ccc2c(c1)nn(n2)[C@H]3CCC(=O)NC3=O	7SE	(3s)-3-(benzotriazol-2-yl)piperidine-2,6-dione
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O	7SG	(2r,3r,4s,5r,6r)-3,5-dihydroxy-4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+c1cc(c2c(c1O)[C@@H]3CC[C@H]2C3)O	7SI	(1r,4s)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol
+CC(C)n1c(ccn1)c2c(cccn2)COc3cnc(cc3C=O)OC	7SJ	2-methoxy-5-({2-[1-(propan-2-yl)-1h-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde
+CC(C)(C)O[C@@H](c1c(c2ccccc2n1C)c3ccc4c(c3)CCCO4)C(=O)O	7SK	(2s)-tert-butoxy[3-(3,4-dihydro-2h-1-benzopyran-6-yl)-1-methyl-1h-indol-2-yl]acetic acid
+CNC(=O)c1cc([nH]n1)c2ccco2	7SL	5-(furan-2-yl)-n-methyl-1h-pyrazole-3-carboxamide
+COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4	7SM	6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
+c1ccc(cc1)[C@H](C(=O)N/N=C/c2ccc(c3c2cccc3)O)N	7SP	(2r)-2-amino-n'-[(e)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylethanehydrazide
+COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4	7SS	6-(2-{[cyclopropyl(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F)OCCCCCC(=O)O	7SV	6-(2-{[cyclopropyl(2'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
+C[C@H](CCC(=O)NCCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C	7SW	3-((r)-4-((3r,5r,8r,9s,10s,13r,14s,17r)-3-(2-hydroxy-2-methylpropyl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanamido)propanoic acid
+Cc1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C	7SX	[(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccc(c4)F)OCCCCCC(=O)O	7SY	6-(2-{[cyclopropyl(3'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid
+Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C	7T1	{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid
+c1ccc2c(c1)CN(C2)C(=O)Nc3ccc(cc3)C(=O)NC[C@@H]4CCOC4	7T7	n-[4-({[(3s)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2h-isoindole-2-carboxamide
+CC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)c5cccnc5)O)C)OC(=O)C)C)OC(=O)C)C	7T8	 (3s,4r,4ar,6s,6as,12r,12as,12bs)-4-[(acetyloxy)methyl]-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2h,11h-naphtho[2,1-b]pyrano[3,4-e]pyran-3,6-diyl diacetate
+CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(nc3)F	7T9	n-[(2s)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
+CC(C)C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccncc4c3	7TA	n-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2h-pyrrolo[3,4-c]pyridine-2-carboxamide
+CC#CCOc1ccc(cc1)C(=O)N[C@H](C(=O)NO)C(C)(C)N	7TD	n-[(2s)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide
+Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)(F)F)C(=O)c4ccc(cc4O)O)Cl	7TJ	n-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-n-(4-{[(trifluoroacetyl)amino]methyl}benzyl)benzamide
+COC(=O)C1=C(NC(=N[C@H]1c2ccc(cc2Cl)F)c3nccs3)CN4CC(C[C@H]4C(=O)O)(F)F	7TL	(2s)-1-[[(4r)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid
+CCCCCCNC(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C	7TM	4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate
+Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OS(=O)(=O)C(F)(F)F	7TO	4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate
+Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)O	7TP	5-{(3r)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde
+Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OC(=O)NCc6ccccc6	7TQ	4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate
+CCN(CC)C(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C	7TR	4-({(3r)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CONC2=O)O	7TS	(5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate
+c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O	7TV	6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+CC(C)CCN1CC[C@H](C1)NC(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O	7TX	5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-n-[(3r)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide
+c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O	7TY	6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+c1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4	7U1	6-(2-{[([1,1'-biphenyl]-4-carbonyl)(cyclopropyl)amino]methyl}phenoxy)hexanoic acid
+Cc1c2c(nc(n1)NCC3CC3)[C@]4(CCN(C4)Cc5ccccc5F)COC2	7U2	(3'r)-n-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5h,7h-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine
+c1cc2c(cc1F)C(=O)NN=C2OC[C@@H]3CCNC3	7U3	7-fluoranyl-4-[[(3r)-pyrrolidin-3-yl]methoxy]-2h-phthalazin-1-one
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4)OCCCCCC(=O)O	7U4	6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+c1cc(c2c(c1)[nH]c(n2)C(=O)N3CCNCC3)C(=O)N	7U6	2-piperazin-1-ylcarbonyl-1h-benzimidazole-4-carboxamide
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O	7U7	6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+COC(=O)c1c(c(c[nH]1)c2c[nH]c3c2cc(c(c3)Cl)Cl)c4c[nH]c5c4cc(cc5)Cl	7U8	methyl 4-[5,6-bis(chloranyl)-1h-indol-3-yl]-3-(5-chloranyl-1h-indol-3-yl)-1h-pyrrole-2-carboxylate
+c1cc(c2c(c1)[nH]c(n2)C(=O)N3CC[C@H](C3)N)C(=O)N	7U9	2-[(3r)-3-azanylpyrrolidin-1-yl]carbonyl-1h-benzimidazole-4-carboxamide
+c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O	7UA	6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+COc1ccc(cc1)N2Cc3cnc(nc3[C@@]4(C2=O)CCN(C4)Cc5ccn[nH]5)NCC6CC6	7UB	(3'r)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1h-pyrazol-5-yl)methyl]-5,6-dihydro-7h-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one
+C[C@H](CC(=O)O)NCC(=O)O	7UC	(3~{r})-3-(2-hydroxy-2-oxoethylamino)butanoic acid
+c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccoc4	7UD	6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccsc4	7UG	6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+COc1ccc(cc1)N2C=C3C=NC(=NC3=C(C2=O)c4ccc(cc4)Br)NCC(F)(F)F	7UI	8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol
+CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccccc3	7UJ	6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid
+C1[C@H](CNC1=O)O	7UK	(r)-4-hydroxy-2-pyrrolidone
+c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O)N4CCN(CC4)CC(F)(F)F)F	7UL	1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione
+Cn1cc2cc(ccc2n1)N3C=C4C=NC(=NC4=C(C3=O)c5ccc(cc5)Cl)NCC(F)(F)F	7UN	(8r)-8-(4-chlorophenyl)-6-(2-methyl-2h-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6h)-one
+[H]/N=C(/c1ccc2cc(ccc2c1)C#Cc3ccc4c(c3)CCNC4)\N	7UP	6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide
+C[C@H](c1ccc(c2c1cccc2)F)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N	7UR	4-[4-cyano-2-[[(2r)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid
+Cc1c(c2c3c4c1O[C@@](C4=O)(OCC[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](CCC[C@H](C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CCn7c(ncc7[N+](=O)[O-])C)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O	7US	(3am,9s,10bp,14s,15r,16s,17r,18r,19r,20s,21s,25r)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate
+CN(CCCNC1=CC(=O)Oc2c1cccc2)C(=O)c3cccs3	7UU	~{n}-methyl-~{n}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
+B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)B(O)O)O	7UV	(3-{(e)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid
+CN1CCC(CC1)C(=O)Nc2ncc(s2)c3ccccc3	7UX	1-methyl-n-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
+CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccsc3	7UY	6-[2-({(propan-2-yl)[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
+C1CCC(CC1)CC(C(=O)O)C(=O)O	7UZ	2-(cyclohexylmethyl)propanedioic acid
+CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccco3	7V1	6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid
+c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N	7V3	(s)-(4-chlorophenyl)-phenyl-methanamine
+CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccoc3	7V4	6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid
+C[NH+](C)CCCNc1c2ccccc2[nH+]c3c1[nH]c4c3cccc4	7V5	~{n}-(5~{h}-indolo[3,2-b]quinolin-11-yl)-~{n}',~{n}'-dimethyl-propane-1,3-diamine
+Bc1ccc(cc1)[C@@H](CCc2ccc(c(c2)C(=O)O)O)O	7V6	5-[(3r)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid
+CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3	7V7	n-phenyl-n-[1-(2-phenylethyl)piperidin-4-yl]propanamide
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)c1cccnc1)O	7V9	~{s}-[2-[3-[[(2~{s})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate
+Cn1c2cc(ccc2nc1COc3ccc(cc3)CC4C(=O)NC(=O)S4)OC	7VA	(5s)-5-({4-[(6-methoxy-1-methyl-1h-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
+Cc1cc(ccc1O)c2ccnc3c2ccc(c3)OC	7VC	4-(7-methoxyquinolin-4-yl)-2-methyl-phenol
+CC(=O)CP(=O)(O)O	7VD	(2-oxopropyl)phosphonic acid
+Cc1cc(ccc1O)c2ccnc3c2ccc(c3)O	7VF	4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol
+B(c1ccc(c(c1)Cl)/C=C/c2cc(cc(c2)O)O)(O)O	7VG	{3-chloro-4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid
+CNC1=C(C(=O)NC(=N1)N)N=O	7VJ	2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3h)-one
+Cc1cc(ccc1O)c2ccnc3c2ccc(c3)Cl	7VL	4-(7-chloranylquinolin-4-yl)-2-methyl-phenol
+CNCCN1CCC(CC1)c2cc(ccn2)CN(C)C(=O)c3cccc(c3)Oc4ccccc4	7VM	n-methyl-n-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide
+CC[C@H](C)[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	7VO	(2s,3s)-3-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid
+Cc1c[nH]c(n1)c2ccccc2	7VP	4-methyl-2-phenyl-1h-imidazole
+CCO/N=C/c1ccc(cc1)OCCCCCN2CCN(C2=O)c3ccncc3	7VR	4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde o-ethyl oxime
+c1ccc2c(c1)/C(=N/N)/C=CN2	7VS	(4e)-4-hydrazinylidene-1,4-dihydroquinoline
+Cc1cc(ccn1)NS(=O)(=O)c2cc(cnc2OC)C3=CCOCC3	7VT	5-[3,6-dihydro-2h-pyran-4-yl]-2-methoxy-n-[2-methylpyridin-4-yl]pyridine-3-sulfonamide
+CC(C)c1c2n(c(n1)N)C[C@@H](CC2)Cc3cc(ccc3F)OC	7VV	(6s)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
+C[C@@H]1[C@@H]2CC[C@]3([C@@H]([C@@]2(CCC1=O)C)CC=C4[C@]3(CC[C@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C	7VX	(4ar,6ar,6as,6bs,8as,9r,12ar,14br)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
+COc1cccc(c1)C[C@H]2CCCNC2	7VY	(3r)-3-[(3-methoxyphenyl)methyl]piperidine
+COC(=O)c1cc(c(cc1Cl)SC2CCCCC2)S(=O)(=O)N	7VZ	methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
+Cc1c(c2c(n1Cc3ccccc3c4ccccc4)cccc2OCC(=O)O)C(=O)C(=O)N	7W0	2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid
+Cc1cnc2ccccc2c1N	7W1	3-methylquinolin-4-amine
+Cc1c(c2c(n1Cc3ccccc3C(F)(F)F)cccc2OCC(=O)O)C(=O)C(=O)N	7W3	2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid
+Cc1c(n2ccccc2n1)N	7W4	2-methylimidazo[1,2-a]pyridin-3-amine
+Cc1c(c2c(n1Cc3cccc(c3)Br)cccc2OCC(=O)O)C(=O)C(=O)N	7W6	2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid
+[H]/N=C(/N)\N1CCC[C@@H](C1)Cc2cccc3c2OCO3	7W7	(3r)-3-[(2h-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide
+Cc1c(c2c(n1Cc3cccc4c3cccc4)cccc2OCC(=O)O)C(=O)C(=O)N	7W9	2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid
+c1cc(c2c(c1)[nH]cn2)N	7WA	1h-benzimidazol-4-amine
+c1ccc2c(c1)/C(=C/3\NC=CS3)/C=N2	7WB	(2z)-2-indol-3-ylidene-3h-1,3-thiazole
+c1cc(c2c(c1)OCO2)C[C@@H]3CCc4cnc(n4C3)N	7WD	(6s)-6-[(2h-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
+C1CN(CCN1C[C@H](CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O	7WF	2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid
+c1c([nH]c(n1)N)C2CC2	7WG	5-cyclopropyl-1h-imidazol-2-amine
+COCC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O	7WH	2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
+COCCNC(=O)Nc1cccc(c1)Cl	7WI	1-(3-chlorophenyl)-3-(2-methoxyethyl)urea
+c1ccnc(c1)c2cc(cc(n2)c3ccccn3)C(=O)NCC[C@@H](C(=O)O)N	7WJ	(2s)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid
+CCOc1ccc(cc1CSc2ccsc2C(=O)NS(=O)(=O)c3ccccc3)C(F)(F)F	7WL	3-{[2-ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-n-(phenylsulfonyl)thiophene-2-carboxamide
+c1ccc2c(c1)ccc(c2C=O)O	7WO	2-hydroxynaphthalene-1-carbaldehyde
+c1c(nc2c(nc(nc2n1)N)N)C=O	7WP	2,4-diaminopteridine-6-carbaldehyde
+COc1ccc(c(c1)C=O)O	7WQ	2-hydroxy-5-methoxybenzaldehyde
+COc1cc(cc(c1O)O)C(=O)O	7WR	3-methoxy-4,5-bis(oxidanyl)benzoic acid
+CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@@H]4[C@@]1(C(=O)[C@@](OC4=O)(C)C(=O)OC)C)C)O)(C)C)C	7WU	methyl (2s,4ar,4bs,5s,6as,10as,10bs,12as)-2,4b,7,7,10a,12,12a-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4a,5,6a,9,10,10b-hexahydronaphtho[1,2-h]isochromene-2-carboxylate
+c1ccc(c(c1)C(=O)O)Br	7WV	2-bromobenzoic acid
+CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@]4([C@@]1(C(=O)[C@](C4=O)(C)O)C)C(=O)OC)C)O)(C)C)C	7WX	methyl (5s,7s,8s,9s,10s,13r,14r,16s)-4,4,8,10,12,13,16-heptamethyl-7,16-bis(oxidanyl)-3,6,15,17-tetrakis(oxidanylidene)-2,5,7,9-tetrahydro-1h-cyclopenta[a]phenanthrene-14-carboxylate
+Cc1c-2n(nn1)CCN(c3c2ccc(c3)c4ccc(nc4)N)c5ccc(cc5)Cl	7WY	5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5h-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine
+CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C@@]2([C@H]([C@]1(C)C(=O)[C@@](C)(C(=O)OC)O)C(=O)O)C)O)(C)C)C	7X0	(1r,2s,4as,4bs,8as,10s,10as)-2-[(2s)-3-methoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl]-2,3,4b,8,8,10a-hexamethyl-10-oxidanyl-7,9-bis(oxidanylidene)-1,4a,5,6,8a,10-hexahydrophenanthrene-1-carboxylic acid
+COc1cc2c(cc1OCCCN3CCCCC3)ncnc2Nc4c(ccc5c4OCO5)Cl	7X1	n-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
+COc1cc(cc(c1OC)OC)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl	7X2	n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3,4,5- trimethoxyphenyl)pyrimidine-2,4-diamine
+COc1ccc(cc1Cl)Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC	7X3	n'-(3-chloro-4-methoxy-phenyl)-n-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
+c1cc(cc(c1)S(=O)(=O)N)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl	7X4	3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide
+CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl	7X5	n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
+CS(=O)(=O)Nc1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl	7X6	n-[3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
+c1cc(cc(c1)N2CCOCC2)Nc3nccc(n3)Nc4c(ccc5c4OCO5)Cl	7X7	n'-(5-chloro-1,3-benzodioxol-4-yl)-n-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
+c1cc(cc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl)C(=O)N	7X8	3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
+C(CCCN)CCC(=O)NO	7XA	7-amino-n-hydroxyheptanamide
+Cc1cc(ccc1NC2=NC(=O)N(C(=O)N2Cc3cc(c(c(c3)F)F)F)CC(=O)NC)OC(F)F	7XB	2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-n-methyl-ethanamide
+[H]/N=C(\N)/Nc1ccc(cc1)C[C@H](C(=O)O)N	7XC	(2r)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid
+c1ccc(cc1)NC(=O)NCc2cccc(c2)c3cccc(c3O)c4cc5cnccc5[nH]4	7XD	1-[[3-[2-oxidanyl-3-(1~{h}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCS)C(=O)O)O	7XF	(2~{s})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid
+Cc1cccc(c1CN2C[C@@H]([C@H](C2)N(C)C)c3ccc(cc3)c4cnn(c4)CC(=O)N)F	7XG	2-[4-(4-{(3s,4r)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1h-pyrazol-1-yl]acetamide
+CC(C)N1CCN(CC1)Cc2ccc(c(c2)F)c3cc(ccn3)NS(=O)(=O)c4cc(cnc4OC)N5CCOCC5	7XH	~{n}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide
+c1ccc(cc1)CNC(=O)Nc2ccc3c(c2)ccnc3N	7XJ	1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(CCO)O)O)O	7XL	[[(2r,3s,4r,5r)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-(2-hydroxyethyl)phosphinic acid
+c1cc2c(ccnc2N)cc1N	7XM	isoquinoline-1,6-diamine
+CC(C)N1CCN(CC1)CC#Cc2cc(cnc2)NS(=O)(=O)c3cc(cnc3OC)C4=CCOCC4	7XN	5-(3,6-dihydro-2~{h}-pyran-4-yl)-2-methoxy-~{n}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide
+CC(C)n1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)nc1Nc5ccccc5	7XO	n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-9-propan-2-yl-purine-2,8-diamine
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N	7XP	(1r,2s,3s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-d-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6	7XR	9-cyclopentyl-n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-purine-2,8-diamine
+CC(C)Cc1c2c(ncnc2N3CC(C3)Oc4ccc(cc4)OC)n(n1)C	7XS	4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)-1h-pyrazolo[3,4-d]pyrimidine
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCCC6	7XU	9-cyclohexyl-n2-[4-(4-methylpiperazin-1-yl)phenyl]-n8-phenyl-purine-2,8-diamine
+CC(C)Cc1nnc2n1c(cnc2)OCCc3ccccc3OC	7XV	5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine
+COc1c(cc(cn1)C2=CCOCC2)NS(=O)(=O)c3ccccc3	7XW	n-[5-(3,6-dihydro-2h-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide
+Cn1cc(cc1C(=O)N)C(=O)c2cccc(c2Cl)Cl	7XX	4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide
+c1ccc(cc1)C(CCNS(=O)(=O)c2ccc(s2)CN(Cc3cccc(c3)Cl)C(=O)C(=O)O)c4ccccc4	7XY	{(3-chlorobenzyl)[(5-{[(3,3-diphenylpropyl)amino]sulfonyl}-2-thienyl)methyl]amino}(oxo)acetic acid
+Cn1cc(cc1C(=O)NCCNC(=O)c2cc(cn2C)C(=O)c3cccc(c3Cl)Cl)C(=O)c4cccc(c4Cl)Cl	7Y0	4-[2,3-bis(chloranyl)phenyl]carbonyl-n-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide
+CCCOc1cncc2n1c(nn2)c3cnn(c3c4ccc(cc4)CC)C	7Y1	3-[5-(4-ethylphenyl)-1-methyl-1h-pyrazol-4-yl]-5-propoxy[1,2,4]triazolo[4,3-a]pyrazine
+c1cnn(c1)S(=O)(=O)c2ccc(s2)Br	7Y3	1-(5-bromanylthiophen-2-yl)sulfonylpyrazole
+CCc1ccc(cc1)c2c(cnn2C)c3c4c(ncnc4N5CC[C@H](C5)N(C)C)n(n3)C	7Y4	(3r)-1-{3-[5-(4-ethylphenyl)-1-methyl-1h-pyrazol-4-yl]-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl}-n,n-dimethylpyrrolidin-3-amine
+[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccc(cc2OC3CCNCC3)Cl	7Y6	4-chloranyl-n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)C(=O)NC=N5)O	7Y7	5-hydroxy-n-(4-oxo-3h-quinazolin-6-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide
+[H]/N=C(\c1ccc(cc1)OCc2cccc(c2)COc3ccc(cc3)C(C)(C)c4ccc(cc4)O)/N	7Y9	4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide
+C[C@@H](C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O	7YA	(2s)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide
+c1c(cc(c(c1[N+](=O)[O-])O)O)/C=C(\C#N)/C(=O)N2CCCOC2	7YC	(e)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile
+[H]/N=C(/N)\NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@H]1C=CC(=O)N1	7YF	(2r)-n-[2-[[(2s)-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-1,2-dihydropyrrole-2-carboxamide
+CN(C)CCNS(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3cccnc3)N	7YG	3-amino-6-(4-{[2-(dimethylamino)ethyl]sulfamoyl}phenyl)-n-pyridin-3-ylpyrazine-2-carboxamide
+CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)c1cc(cc(c1)I)Br	7YH	2-[[(2r)-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
+CC(C)[C@H](C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O	7YJ	(2r)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide
+C1=CC(=O)N[C@H]1C(=O)O	7YL	(2r)-5-oxidanylidene-1,2-dihydropyrrole-2-carboxylic acid
+Cc1c(c(on1)C)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)[nH]c(n5)N)O	7YM	n-(2-amino-1h-benzimidazol-5-yl)-1-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]phenyl]-5-hydroxypyrazole-4-carboxamide
+CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CC=C4)CCC3)O	7YN	1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea
+C1CC(=O)N[C@H]1C(=O)O	7YO	(2r)-5-oxidanylidenepyrrolidine-2-carboxylic acid
+CO[C@@H](c1ccc(cc1)O)C(=O)NCc2ccc(cc2OCC(=O)N)CN	7YP	(2~{s})-~{n}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanami de
+[H]/N=C(\N)/NCCC[C@@H](C(=O)Nc1ccc(cc1)N(O)O)NC(=O)CNC(=O)[C@H]2CCC(=O)N2	7YR	(2r)-n-[2-[[(2s)-1-[[4-[bis(oxidanyl)amino]phenyl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide
+Cc1c-2c(n(n1)CCO)CN(C(=O)c3ccc(c(c3[C@H](Oc4c(ncc2n4)N)C)Cl)F)C	7YS	(10r)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1h-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one
+COc1cc2c(cc1O)cc([nH]2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c6c5cc([nH]6)C(=O)N7CCc8c7c(c(c9c8cc([nH]9)C(=O)SC)OC)O	7YU	(+)-yatakemycin
+Cc1cc(c(c(c1)C)NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C	7YV	(1s,2s,4r)-n-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid
+Cn1cc2cc(c(cc2n1)Cl)NC3=NC(=O)N(C(=O)N3Cc4cc(c(cc4F)F)F)Cc5ncn(n5)C	7YY	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
+COc1c2cc(cnc2[nH]n1)C#Cc3c(ccc(c3F)NS(=O)(=O)c4cccc(c4)Br)F	7Z0	n-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1h-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide
+CCOc1ccc(c(c1)[C@H](C(=O)N2CCC[C@@H]2c3ccccc3)Nc4ccc5c(c4)ccnc5N)F	7Z1	(2~{r})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{r})-2-phenylpyrrolidin-1-yl]ethanone
+c1cc(cc(c1)N2CCCC2)CN	7Z3	1-(3-pyrrolidin-1-ylphenyl)methanamine
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)C(=O)Nc4ccc5c(c4)C(=O)N=C5)O	7Z4	5-hydroxy-n-(1-oxo-1h-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1h-pyrazole-4-carboxamide
+CCC(=O)Nc1ccc(cc1C(=O)O)N(C)Cc2cccnc2	7Z5	5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid
+c1cc(cnc1)CNc2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl	7Z6	5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one
+c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)[C@H](CO)O	7Z7	(2s)-2,3-dihydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide
+Cc1ccc2c(c1Sc3ccncc3)C(=O)NC(=N2)N	7Z9	2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3h-quinazolin-4-one
+CCOc1cc(ccc1OC(C)C)[C@H](C(=O)N2CCC[C@@H]2c3ccccc3)Nc4ccc5c(c4)ccnc5N	7ZA	2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
+Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)Br)C	7ZB	4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]-n-(3,5-dimethylphenyl)pyrimidin-2-amine
+CN(C)Cc1c[nH]c2c1cc(cc2)OC	7ZC	1-(5-methoxy-1h-indol-3-yl)-n,n-dimethyl-methanamine
+c1ccc(cc1)C[C@@H](C(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O)O	7ZD	(2s)-2-hydroxy-n-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide
+c1cc2c(cccn2)c(c1)[N+](=O)[O-]	7ZE	5-nitroquinoline
+c1ccc(cc1)Nc2ncnc(n2)N	7ZF	n-phenyl-1,3,5-triazine-2,4-diamine
+c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N	7ZG	n-(2-amino-1h-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide
+[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	7ZH	methyl 6-[4-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+CS(=O)(=O)N(CC(=O)N)c1cccc(c1)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N	7ZJ	n-(2-amino-1h-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]phenyl]acetamide
+Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3[C@@H]4CCN(C4)CCN)c5ccc(cc5)I)C	7ZK	2-[(3r)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1h-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
+c1ccc(cc1)Nc2c(cnc(n2)N)Cl	7ZL	5-chloro-n4-phenylpyrimidine-2,4-diamine
+c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(nc3)N)O	7ZM	n-(6-aminopyridin-3-yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide
+c1ccc(c(c1)CCN2C(=NNC2=S)c3cccc(c3)OCCN4CCOCC4)C(=O)O	7ZN	2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1h-1,2,4-triazol-4-yl]ethyl]benzoic acid
+c1cc2c(cc1Nc3c(cncn3)Cl)CC(=O)N2	7ZO	5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one
+c1cc(cc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)CNC(=O)Nc5c(cccc5F)F	7ZP	1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea
+C[C@@H](c1ccccc1)NC(=O)CNC(=O)c2cccc(c2)Cl	7ZQ	3-chloranyl-n-[2-oxidanylidene-2-[[(1s)-1-phenylethyl]amino]ethyl]benzamide
+COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-]	7ZR	3,4-dimethoxy-n-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
+c1cc(c(c(c1)C(=O)O)O)C=O	7ZS	3-methanoyl-2-oxidanyl-benzoic acid
+Cc1cc(cc(c1)Oc2nccc(n2)c3c(ncn3[C@H]4CCN(C4)CCN)c5ccc(cc5)I)C	7ZT	2-[(3s)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1h-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
+C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	7ZU	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5s)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr o-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+c1cc(c(c(c1)Cl)Nc2ccc(cc2CC(=O)O)O)Cl	7ZV	5-hydroxydiclofenac
+CC(C)C[C@@H]1C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)C(F)(F)F	7ZW	2-[(4~{r})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{n}-[4-(trifluoromethyl)phenyl]ethanamide
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cnccc5[nH]4)O	7ZY	1-[[3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea
+c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-]	801	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}pyridin-3-olate
+c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])F	802	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-4-fluorobenzenolate
+CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C	803	lovastatin
+c1cc(ccc1c2ccc(cc2)C3=NCCCN3)c4cc5ccc(cc5[nH]4)C6=NCCCN6	804	6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1h-indole
+[H]/N=C(/C)\N1CCC(CC1)Oc2ccc3c4ccccc4n(c3c2)Cc5ccc6ccc(cc6c5)C(=N)N	806	7-[[2-[[1-(1-iminoethyl)piperidin-4-yl]oxy]-9h-carbozol-9-yl]methyl]naphthalene-2-carboximidamid
+CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cc3ccc(o3)C(F)(F)F	808	n-[(2s)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1h-inden-2-yl]propane-2-sulfonamide
+Cn1cc(c2c1cc(c3c2C(=O)NC3=O)c4ccccc4Cl)CCO	809	4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2h,6h)-dione
+c1cc(ccc1[C@H](c2ccncc2)O)OCCN3CCCC3	80A	(r)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
+COc1ccc(c(c1)Cl)c2cc3c(cc2F)ncc4c3n(cn4)C5CCNCC5	80C	8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C[C@@H](C(=C5)C(=O)N)SC[C@@H](C(=O)O)N)O)O)O)O)N	80F	(2r)-3-[[(4s)-3-aminocarbonyl-1-[(2r,3r,4s,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4h-pyridin-4-yl]sulfanyl]-2-azanyl-propanoic acid
+c1cc(sc1)c2ccc(cc2)CN	80G	1-(4-thiophen-2-ylphenyl)methanamine
+CN(c1c(cccn1)CNc2ccnc(n2)c3[nH]c4c(n3)ccc(c4F)Cl)S(=O)(=O)C	80H	~{n}-[3-[[[2-(6-chloranyl-7-fluoranyl-1~{h}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{n}-methyl-methanesulfonamide
+CC(C)(C)OC(=O)NCCSC[C@H](C(=O)NCc1cccnc1)Nc2ccccc2	80K	tert-butyl (2-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate
+c1cc2c(cc1Nc3cc(c(cc3Cl)[N+](=O)[O-])NCCC(=O)O)NC(=O)N2	80L	3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid
+c1c(cc2c(c1sc3cc(cc(c3O)sc4cc(cc(c4O)sc5cc(cc(c5O)s2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	80M	sulfonato-thiacalix[4]arene
+[H]/N=C(/Cc1cccc(c1)OC)\NC(=O)c2cccnc2OC3CCNCC3	80O	n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-pyridine-3-carboxamide
+CCN(CC)[C@H]1[C@@H]2C[C@@H]3Cc4c(c(cc(c4C(F)(F)F)[C@@H]5CCCN5)O)C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O	80P	(4s,4as,5ar,12as)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2s)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
+c1cc(ncc1C(F)(F)F)OC2CCNCC2	80Q	2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine
+c1cc2c(cc1Nc3ccc(cc3Cl)[N+](=O)[O-])NC(=O)N2	80R	5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one
+Cn1ccnc1COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N	80U	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
+CC1(CCN(c2c1cc(cc2)C#Cc3ccc(cc3)OS(=O)(=O)F)C(=O)CCC(=O)O)C	80V	4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2h)-yl]-4-oxobutanoic acid
+CC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc2cccc(c2)Cl	80X	n-(3-chlorophenyl)-2-[(2r)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide
+CC1=CC(=CN(C1=O)C)C(=O)N(C[C@H](c2ccccc2)c3ccccn3)[C@H](C4CCOCC4)C(=O)NC	80Z	1,5-dimethyl-~{n}-[(1~{r})-2-(methylamino)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{n}-[(2~{s})-2-phenyl-2-pyridin-2-yl-ethyl]pyridine-3-carboxamide
+CCOC(=O)NC1=Nc2cc3c(cc2C(=O)N1)[nH]c(n3)NC	810	ethyl [2-(methylamino)-8-oxo-7,8-dihydro-1h-imidazo[4,5-g]quinazolin-6-yl]carbamate
+c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COc4ccc(c(c4)Cl)C5(CN(C5)c6cc(ccn6)C(=O)O)O)Cl	811	2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid
+c1ccc(cc1)CNc2ccc(cc2)OC[C@H]3CCCN3	812	n-benzyl-4-[(2r)-pyrrolidin-2-ylmethoxy]aniline
+C[C@H]1C[C@@H]([C@@H]([C@@H](C=C(C([C@H](/C=C\C=C(\C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccccc3)/C)OC)OC(=O)N)C)C)O)OC	814	[(3r,5s,6r,7r,11s,12z,14e)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
+c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4ccc5ccnc(c5c4)N)nc1	815	thieno[3,2-b]pyridine-2-sulfonic acid [1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrroldin-3-yl]-amide
+Cc1cccc(n1)COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)[C@@H]5CCCN(C5)C(=O)C=C)N	816	1-[(3r)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
+[H]/N=C(\N)/N/C(=N/[H])/SCc1cccc(c1)C(F)(F)F	817	1-{[n-(1-imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene
+CC[C@@H]1\C=C(\[C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)O)/C	818	18-hydroxyascomycin
+CCOC(=O)NCc1ccc(cc1)n2c(nnc2S)c3cc(c(cc3O)O)C(C)C	819	ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4h-1,2,4-triazol-4-yl}benzyl)carbamate
+[H]/N=C(\N)/NOCC1(CC1)COc2cc(cc(c2)OS(=O)(=O)c3ccccc3S(=O)(=O)C)C	81A	2-methanesulfonyl-benzenesulfonic acid 3-methyl-5-((1-amidinoaminooxymethyl-cyclopropyl)methyloxy)-phenylester
+C1CCC(C1)NC(=O)C(=O)O	81B	(cyclopentylamino)(oxo)acetic acid
+CCN1CCN(CC1)c2cc(c(cc2NC(=O)C=C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl)OC	81C	n-[5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]prop-2-enamide
+C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C/C=C/[C@H](CC(=O)O1)O)O)O)O)C)O	81E	(1r,3s,5e,7s,11r,13e,15e,17e,19e,21r,23s,24r,25s)-11,24-dimethyl-1,3,7,21,25-pentakis(oxidanyl)-10,27-dioxabicyclo[21.3.1]heptacosa-5,13,15,17,19-pentaen-9-one
+Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cc(cnc4)Br	81F	1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine
+Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC4(N3)CCC(CC4)(c5ccc(cc5)F)O	81G	(1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1h-pyrazol-4-yl)-1'h-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'h)-one
+c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OC(F)(F)F	81H	(2r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol
+c1cc(oc1)C(=O)N2CCN(CC2)[C@@H]3CC(=O)N(C3)c4ccc(cc4)c5ccc(cc5)F	81I	(4~{r})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one
+CCOc1ccc(cc1)C(=O)O	81J	4-ethoxybenzoic acid
+CCCCCC/C=C\CCCCCCCC=O	81K	(z)-hexadec-9-enal
+CCSc1ccc(cc1)C(=O)O	81M	4-(ethylsulfanyl)benzoic acid
+CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)c3c(c(cnc3C)C(=O)O)C	81O	5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid
+CNc1ccc(cc1)C(=O)O	81P	4-(methylamino)benzoic acid
+C([C@H](CS)S)[C@@H](C(=O)O)N	81R	(4r)-4,5-disulfanyl-l-norvaline
+C([C@@H](CS)S)[C@@H](C(=O)O)N	81S	(4s)-4,5-disulfanyl-l-norvaline
+c1ccc2c(c1)nc3cc(c(cc3n2)O)N	81U	3-azanylphenazin-2-ol
+C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)(C(F)F)O	81V	n-[(2s,3s)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide
+c1ccc2c(c1)C(=NNC2=O)CN	81X	4-(aminomethyl)phthalazin-1(2h)-one
+CC(C)Oc1ccc2c(c1)c(n[nH]2)c3ccnc(c3)N4CCOCC4	81Y	3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1h-indazole
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)C[C@H](CC)C(=O)O	820	(2s)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid
+CC(=O)N/C(=C\c1ccc(c(c1)C=O)CC(=O)O)/C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	821	[4-((1z)-2-(acetylamino)-3-{[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxoprop-1-enyl)-2-formylphenyl]acet ic acid
+CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	822	n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-4-[difluoro(phosphono)methyl]phenylalaninamide
+C(CN(CCCS)C(=O)C[C@@H](C(=O)O)N)CS	823	n,n-bis(3-sulfanylpropyl)-l-asparagine
+c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O	824	9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione
+c1ccc(cc1)[C@@H](Cc2ccc(c(c2)Br)C(F)(F)P(=O)(O)O)C(=O)c3ccccc3	825	[{2-bromo-4-[(2r)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid
+c1ccc2c(c1)c3c(n2Cc4ccc(cc4)O)CN(CC3)C(=O)c5ccc(cc5)O	826	1,3,4,9-tetrahydro-2-(hydroxybenzoyl)-9-[(4-hydroxyphenyl)methyl]-6-methoxy-2h-pyrido[3,4-b]indole
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N)N)O	827	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+c1cnccc1C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O	829	5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine
+c1cc(cc(c1)Cl)c2c[nH]nc2c3cc([nH]c3)C(=O)N[C@H](CO)c4ccc(c(c4)Cl)F	82A	(s)-n-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide
+Cn1cc(cc1C(=O)Nc2c3c(n[nH]2)C4(CC4)N(C3)C(=O)N[C@H](CN5CCCC5)c6ccccc6)Br	82B	3'-{[(4-bromo-1-methyl-1h-pyrrol-2-yl)carbonyl]amino}-n-[(1s)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1',4'-dihydro-5'h-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxamide
+Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4c(cccc4Br)F	82D	(3r,4s)-1-[(2-bromo-6-fluorophenyl)methyl]-n,n-dimethyl-4-(1-methyl-1h-indol-3-yl)pyrrolidin-3-amine
+COc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N	82E	5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
+CCCN(CCC)C[C@@H]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4c2nccc4	82F	n-[2-[(2s)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5h-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
+Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)[C@H]4CCc5c4c(ccc5)F	82G	(3r,4s)-1-[(1s)-7-fluoro-2,3-dihydro-1h-inden-1-yl]-n,n-dimethyl-4-(1-methyl-1h-indol-3-yl)pyrrolidin-3-amine
+CNC1=C(C(=O)N(N=C1)C)Cl	82I	4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one
+CCc1cc2ccc1CCOC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4cccc(c4)C(=O)N)C)S(=O)(=O)C(C)C	82J	3-{[(2r)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide
+CCCCCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C(F)(F)F)C[C@H](CC)C(=O)O	82K	(2s)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid
+Cc1c(sc(n1)[C@H](CN)NC(=O)c2ccc([nH]2)c3ccc(c(c3)F)Cl)CO	82M	n-{(1s)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1h-pyrrole-2-carboxamide
+C(#N)[Ni]12[S@+]3[Fe]1456[S@@+]2[Fe]478[Fe]53([S+]67)S8	82N	nickel iron clsuter with cyanide bound
+Cc1ccc(c(c1)C)NC(=O)[C@H]2CN(C[C@@H]2c3nnc(n3C4CC4)C5CC(C5)CC(C)C)C(=O)C	82O	(3r,4r)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-n-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1	82R	(1r,2s,4s,5'r,6r,7s,8r,9s,10r,12s,13s,16s,18s)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol
+C[C@@]12CC[C@@H](C1(C)C)C[C@H]2Br	82S	(1r,2r,4r)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane
+c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCOCC5)OCCO2	82V	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7h-thieno[3,2-b]pyran-7-one
+C[C@@H]1/C=C(/[C@]23[C@@H](C[C@@H](C(=O)O[C@@H]1[C@@H](C)O)OC)C=C[C@@H]4[C@H]2[C@@H]([C@H]([C@H]([C@@H]4O3)OC(=O)c5ccc[nH]5)C)O)\C	82W	[(1~{s},3~{r},4~{r},5~{r},6~{r},7~{s},8~{r},11~{s},13~{s},16~{s},17~{r},18~{e})-13-methoxy-5,17,19-trimethyl-6-oxidanyl-16-[(1~{r})-1-oxidanylethyl]-14-oxidanylidene-2,15-dioxatetracyclo[9.8.0.0^{1,7}.0^{3,8}]nonadeca-9,18-dien-4-yl] 1~{h}-pyrrole-2-carboxylate
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4cc(sc4c3)c5cccc(c5)C(=O)O	82X	3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid
+c1cc(ccc1c2csc3c2OC(=CC3=O)N4CCOCC4)C(=O)NO	82Y	n-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]benzamide
+c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CP(=O)(O[K])O[K]	830	dipotassium (2-oxo-2-{[3-(3-phenoxyphenyl)propyl]amino}ethyl)phosphonate
+CN(C)Cc1ccc(cc1)c2cnn3c2nccc3c4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F	831	n-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
+Cn1c(cc(n1)c2ccc3c(c2)OCO3)N	833	3-(1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-5-amine
+Cc1c(ccc2c1OCCO2)C(=O)Nn3c(c(nc3c4ccccc4Cl)C)C(C)C	834	n-[2-(2-chlorophenyl)-4-methyl-5-(1-methylethyl)-1h-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
+CC1=Nc2cccc(c2C(=O)N1[C@H]3CCC(=O)NC3=O)N	835	(3s)-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione
+Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)[N+](=O)[O-]	836	n-methyl-n-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide
+CCOC(=O)c1ccc(cc1)c2csc3c2OC(=CC3=O)N4CCOCC4	837	ethyl 4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]benzoate
+C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)C)C(C)C)C)OC	838	18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone
+c1ccc(cc1)c2cc3c(c4cc(ccc4n3CCC(=O)O)O)c5c2C(=O)NC5=O	839	3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1h)-yl)propanoic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCc2cc3c([nH]2)N=C(NC3=O)N	83A	n-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-l-glutamic acid
+C[C@@H](CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O	83B	[(3s)-3,7-dimethyloct-6-enyl] phosphono hydrogen phosphate
+c1cc(ccc1/C(=C/c2cc(cc(c2)O)O)/F)O	83D	5-[(z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
+CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCC(=O)N2[C@H](C(=CC2=O)OC)Cc3ccc(cc3)c4ccccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C	83E	n,n-dimethyl-l-valyl-l-leucyl-n-[(3s)-6-{(2s)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-l-leucinamide
+C[C@@H]1CN(CCN1C(=O)C(=O)c2c[nH]c3c2c(ccn3)OC)C(=O)c4ccccc4	83G	1-[(2r)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
+CCN1c2cc3c(cc2C(C1=O)(C)C)[nH]c-4c3CCCc5c4[nH]nc5C	83H	8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1h)-one
+CCOC(=O)CC(=O)CCl	83I	ethyl 4-chloranyl-3-oxidanylidene-butanoate
+Cc1ncn(n1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCN(CC4)C(=O)c5ccccc5)c(cn2)OC	83J	1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1h-1,2,4-triazol-1-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
+CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCC(=O)N2[C@H](C(=CC2=O)OC)Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C	83K	n,n-dimethyl-l-valyl-l-leucyl-n-[(3s)-6-{(2s)-2-[(1h-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-l-leucinamide
+c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7N=C8[N]5=C(C=C8)C(=C9N6C(=N4)C=C9)c1ccccc1	83L	10,20-diphenyl-5,15-diaza-porphyrin containing fe
+CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@H](Cc1ccc(cc1)O)C2=NCC[C@H](N2)C(=O)NCC(=O)N)C(=O)O	83M	n-[(1r)-1-{(6s)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-n~2~-tetradecanoyl-l-glutamine
+c1[nH]c(nn1)C[C@@H](C(=O)O)N	83O	(2s)-2-azanyl-3-(4h-1,2,4-triazol-3-yl)propanoic acid
+CNC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)c4c(cco4)CNc5ccc6c(c5)nccn6	83P	(r)-n-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole-3-carboxamide
+CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)CN	83Q	6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)phenyl]sulfanyl-pyrazin-2-amine
+c1ccc2c(c1)c3ccccc3s2	83R	dibenzothiophene
+CC(C)c1cc(c(cc1C=O)O)C(=O)N2Cc3ccccc3C2	83S	5-hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CNC)NC(=O)OC(C)C	83T	propan-2-yl n-[(2s,4r)-1-ethanoyl-2-methyl-6-[4-(methylaminomethyl)phenyl]-3,4-dihydro-2h-quinolin-4-yl]carbamate
+c1ccc2c(c1)-c3ccccc3S2=O	83U	dibenzothiophene 5-oxide
+c1ccc(cc1)CC[C@@H](CCC(=O)O)N	83V	(4s)-4-amino-6-phenylhexanoic acid
+CC(=O)c1c(cc(cc1O)O)O	83X	1-[2,4,6-tris(oxidanyl)phenyl]ethanone
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O	83Y	3-o-sulfo-alpha-l-rhamnopyranose
+C[C@@]1([C@H]2[C@@]34C[C@]35CC2(C=CC1=O)[C@H]([C@@]5(O4)C)O)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O	840	platensimycin a1
+c1ccnc(c1)N2CCC(CC2)CNC(=O)N3CCCC3	841	~{n}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CCCCC2)c3cccc(c3)n4cccn4)O	842	n-[(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1h-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide
+CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	843	n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-o-phosphonotyrosinamide
+COc1cc(cc(c1OC)OC)c2cc(cnc2)c3ccc(cc3)N4CCNCC4	844	1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine
+C[C@@H](C(=O)NCc1cccc(c1)N2C(=C3NN=C(O3)c4cccc5c4cc[nH]5)C=C(N2)C(F)(F)F)N	845	n-(3-{5-[5-(1h-indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)-1h-pyrazol-1-yl}benzyl)-l-alaninamide
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)CC5CC5)Cc6ccccc6)O)O	846	[4r--(1alpha,5alpha,7beta)]-3-[(cycloprophylmethyl)hexahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepin] methyl-2-thiazolylbenzamide
+c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(cc(c3[O-])Br)[C@@H](CC(=O)[O-])C(=O)[O-]	847	2-(3-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}-5-bromo-4-oxidophenyl)succinate
+c1ccc(c(c1)N)OCc2cccnc2	848	2-(pyridin-3-ylmethoxy)aniline
+CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)F	849	2-{4-[3-fluoro-2-(2-methoxyphenyl)-1h-indol-5-yl] piperidin-1-yl}-n-methylethanamine
+c1cc(ccc1n2c(cnn2)C34C5=C6[Fe]5378912(C6=C74)C3C8=C9C1=C23)S(=O)(=O)N	84A	p-(5-ferrocenyl-1h-1,2,3-triazol-1-yl)benzenesulfonamide
+C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N	84D	dibekacin
+C[C@H]1[C@@H](N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC	84F	(3s,4r)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
+C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N	84G	arbekacin
+COC1=CC(=O)N[C@H]1Cc2ccc(cc2)c3ccccc3	84H	(5s)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2h-pyrrol-2-one
+COC(=O)c1cc(c(cc1Cl)SCCc2ccccc2)S(=O)(=O)N	84I	methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate
+C[C@@H](c1ccc(cc1)Br)N[C@@H](c2cccc3c2nc(c(n3)O)O)P(=O)(O)O	84J	[(r)-{[(1s)-1-(4-bromophenyl)ethyl]amino}(2,3-dihydroxyquinoxalin-5-yl)methyl]phosphonic acid
+c1ccn2c(c1)nnc2Sc3ccc4nc(cn4n3)NC(=O)C5CC5	84M	n-{6-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl}cyclopropanecarboxamide
+COC1=CC(=O)N[C@H]1Cc2c[nH]c3c2cccc3	84N	(5s)-5-[(1h-indol-3-yl)methyl]-4-methoxy-1,5-dihydro-2h-pyrrol-2-one
+COC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N	84O	methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate
+Cn1cc(cn1)c2ccc3c(c2)n(nn3)Cc4ccc5nc(cn5n4)NC(=O)C6CC6	84P	n-(6-{[6-(1-methyl-1h-pyrazol-4-yl)-1h-benzotriazol-1-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide
+c1csc2c1nc(nc2N3CCOCC3)c4cc(cc(c4)O)N	84R	3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
+Cn1cc(cn1)c2ccc3nnc(n3c2)C(c4ccc5nc(cn5n4)NC(=O)C6CC6)(F)F	84S	n-(6-{difluoro[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide
+CC(C)[C@H]([C@@H](C(=O)NP(=O)(O)OC[C@@H]1C[C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	84T	[(2s,4s,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-n-[(2s,3r)-4-methyl-2,3-bis(oxidanyl)pentanoyl]phosphonamidic acid
+c1cc(ccc1CNc2cc(cc(c2)O)c3nc4ccsc4c(n3)N5CCOCC5)F	84U	3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
+Cn1cc(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+]	84W	[7-(1-methyl-1h-pyrazol-4-yl)-4-oxo-3,4-dihydrophthalazin-1-yl]methanaminium
+c1ccc(cc1)CNc2cc(cc(c2)O)c3nc4ccoc4c(n3)N5CCOCC5	84X	3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol
+COC(=O)c1cc(c(cc1S(=O)(=O)c2ccccc2)Cl)S(=O)(=O)N	84Z	methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate
+C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc4c(cccc4s3)c5ccccc5)NC	851	n-{(1s)-1-cyclohexyl-2-oxo-2-[(2s)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl}-n~2~-methyl-l-alaninamide
+CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)O)C(C(=O)O)C(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	852	2-{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid
+CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)O)CC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	853	5-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxymethyl-benzoic acid
+CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc2ccccc2	854	ethyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate
+Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccncc4	855	2-(6-methylpyridin-2-yl)-n-pyridin-4-ylquinazolin-4-amine
+COC(=O)c1ccc(cc1)C(=O)OCCO	856	o 4-(2-hydroxyethyl) o 1-methyl benzene-1,4-dicarboxylate
+CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OC[C@@H]5CCC[N@]5C)Cl	857	4-({2-[(4-chloro-3-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-n-methylpyridine-2-carboxamide
+CC[C@@H]1\C=C(\C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6CC)/C)O)C)OC)OC)C)/C	858	c32-o-(1-ethyl-indol-5-yl)ascomycin
+c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3cccc(c3)O	859	2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide
+c1cnccc1CNc2cc3c(cc2Cl)NC(=O)Nc4cnc(c(n4)OCCCCCO3)C#N	85A	18-chloro-2-oxo-17-[(pyridin-4-ylmethyl)amino]-2,3,11,12,13,14-hexahydro-1h,10h-4,8-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecine-7-carbonitrile
+Cc1cc(cc(c1OC(C)(C)C(=O)O)C)CN2C(=O)N(C=N2)c3ccc(cc3)OC(F)(F)F	85B	2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid
+Cc1ccc(cc1Cl)NC(=O)NCc2ccc3c(c2)CN(C3=O)[C@H]4CCC(=O)NC4=O	85C	1-(3-chloro-4-methylphenyl)-3-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1h-isoindol-5-yl}methyl)urea
+CC1([C@@H]2CC=C([C@H]1C2)CBr)C	85D	(1s,5r)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
+Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+])c4c(cc5ccccc5c4C#N)F	85E	{7-[(5m)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1h-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium
+C([C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N	85F	(2r)-2-azanyl-3-[(2r)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid
+CCNC(=O)CC[C@@H](C(=O)O)N	85G	n-ethyl-l-glutamine
+CCCNC(=O)CC[C@@H](C(=O)O)N	85J	n-propyl-l-glutamine
+Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)C[NH3+])c4c(c(cc(c4F)Cl)OC5CC5)C#N	85K	(7-{(5m)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1h-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium
+C[C@H]1c2ccc(cc2O[C@H]([C@@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O	85M	(2r,3s,4r)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2h-1-benzopyran-7-ol
+c1cc(ccc1c2cc(c3cc(ccc3n2)OS(=O)(=O)F)C(=O)O)Cl	85P	2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC	85R	[(2~{r})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{s},3~{s},5~{r},6~{s})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate
+CC(=O)N1CCN(CC1)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5C6CCOCC6	85S	1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1h-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H](C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#N	85T	4-amino-1-{2-cyano-2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}pyrimidin-2(1h)-one
+[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC/C=C/[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	85U	methyl 6-[4-[[~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+c1cc(ccc1c2cc3c(cc2Cl)[nH]c(n3)O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5O)C6(CC6)CO	85V	1,4:3,6-dianhydro-2-o-(6-chloro-5-{4-[1-(hydroxymethyl)cyclopropyl]phenyl}-1h-benzimidazol-2-yl)-d-mannitol
+Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6	85X	12-(2-cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole
+c1ccc2cc(ccc2c1)CNC(=O)C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	85Y	2'-deoxy-5-{[(naphthalen-2-yl)methyl]carbamoyl}uridine 5'-(dihydrogen phosphate)
+Cc1cc(ccc1C2=C(c3ccc(cc3OC2=O)O)Cc4ccc(cc4)/C=C/C(=O)O)F	85Z	(e)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid
+c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl	860	2-(3-chlorophenyl)-n-(isoquinolin-4-yl)acetamide
+COc1cc(cc(c1OC)OC)CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3	861	3-(3,4,5-trimethoxyphenyl)propyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cn(nn4)c5ccc(cc5)C(=O)C)c(ncn3)N	862	1-[(3~{r})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
+CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OC3CCCC3)OC)(C)C	863	5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3h-pyrazol-3-one
+CC(C)[C@H](NC(=O)OCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O	864	(2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl](hydroxy)phosphoryl]propanoic acid
+Cc1ccnc(c1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CC(=O)N6CCNCC6)n7ccnc7	865	7-[2-(1h-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1h-indole-2-carboxylic acid
+CCN(C[C@@](CNC(=O)c1cnn(c1N)c2ccc(cc2)F)(C(F)(F)F)O)C(=O)c3c(cccc3Cl)Cl	866	5-amino-n-[(2s)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1h-pyrazole-4-carboxamide
+[H]/N=C(\NCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NCCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	867	methyl 6-[4-[[~{n}-[3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+Cc1c(ccc(c1c2ccc(cc2)OC)S(=O)(=O)C)C(=O)c3cnn(c3O)C(C)(C)C	869	(1-tert-butyl-5-hydroxy-1h-pyrazol-4-yl)[6-(methylsulfonyl)-4'-methoxy-2-methyl-1,1'-biphenyl-3-yl]methanone
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)CCc2ccccc2)O	86A	(2s)-(3-{[amino(imino)methyl]amino}phenyl){[(s)-hydroxy{(1r)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]oxy}acetic acid
+CC(C)NC[C@@H](COc1ccc(cc1)S(=O)(=O)N)O	86B	4-{(2s)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide
+Cc1c(cc2cnn(c2n1)c3cc(sc3)C(=O)NC4COC4)Nc5c(cccc5Cl)F	86C	4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1h-pyrazolo[3,4-b]pyridin-1-yl]-n-(oxetan-3-yl)thiophene-2-carboxamide
+c1cc(c2c(c1Oc3cc(cc(c3)F)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)F	86D	3-({(1s)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1h-inden-4-yl}oxy)-5-fluorobenzonitrile
+c1cc(c(c(c1)Cl)Cl)S(=O)(=O)Nc2ccc(cc2)c3cc(c4c[nH]nc4n3)C(=O)N[C@@H]5CCNC5	86H	6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{n}-[(3~{r})-pyrrolidin-3-yl]-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxamide
+Cc1c(n2cc(ccc2n1)F)N	86J	6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine
+CC(C)Oc1ccc(cc1Cl)CN	86L	(3-chloranyl-4-propan-2-yloxy-phenyl)methanamine
+COc1cc(c(cn1)OCc2cccn3c2ncc3)C=O	86M	5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde
+c1nc(c2c(n1)n(cn2)c3c(c(c(o3)COP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N)O)O)N	86N	(2s)-5-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)furan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N	86P	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
+c1ccc-2c(c1)CCc3c2nnc(c3)N	86Q	5,6-dihydro-benzo[h]cinnolin-3-ylamine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N	86S	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1c2c(cc(c1F)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3	86U	6,7-bis(fluoranyl)-3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
+C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O	86V	(2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3s)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2h-1-benzopyran-7-ol
+c1c2c(cc(c1Cl)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3	86X	6-chloranyl-7-fluoranyl-3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
+C[C@@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O	86Y	(2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3r)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2h-1-benzopyran-7-ol
+COc1cc(c2c(c1)nc(o2)NS(=O)(=O)c3cc(ccc3Cl)Cl)c4cccc(c4)N	870	n-[7-(3-aminophenyl)-5-methoxy-1,3-benzoxazol-2-yl]-2,5-dichlorobenzenesulfonamide
+CC(C)c1cc(c(cc1CC#N)O)C(=O)N2Cc3ccccc3C2	871	2-(5-hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile
+c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCCNC(=O)C2CC(F)(F)F)N	872	(3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one
+c1ccc2c(c1)C(=O)N(C=N2)C[C@@H](C[C@@H]3[C@@H](CCCN3)O)O	873	3-[(2r)-2-oxidanyl-3-[(2r,3r)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one
+CC(C)c1cc(c(c(c1O)CO)O)C(=O)N2Cc3ccccc3C2	874	(2,4-dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone
+CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	876	n-acetyl-n-[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3,4-diphosphonophenylalaninamide
+CCOc1c(c(cc(n1)NC(=O)Cc2cc(c(cc2OC)Br)OC)N)C#N	877	n-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide
+c1cc(c(cc1I)C(=O)O)NC(=O)C(=O)O	878	5-iodo-2-(oxalyl-amino)-benzoic acid
+c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)Oc5cncnc5)Cl	879	6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1h-pyrrol-1-yl}methyl)pyridin-2-amine
+C1CCC2=C(C1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@@H](CCCN3)O	87C	3-[2-oxidanylidene-3-[(2r,3r)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one
+CN1C=C(C(=CC1=O)OC)c2cc(ccc2Oc3ccccc3)NS(=O)(=O)C	87D	n-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
+C[C@H](C(=O)N[C@@H](CO)C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	87E	(2s)-2-[[(2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]-3-oxidanyl-propanoic acid
+c1ccc2c(c1)C(=O)N(C=N2)CCC[C@@H]3C(=O)CCCN3	87F	3-[3-[(2r)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
+CCS(=O)(=O)Nc1ccc(c(c1)c2cn(c3c2C=CNC3=O)C)Oc4ccc(cc4F)F	87G	n-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide
+C[C@H](c1cccc(c1)F)C(=O)Nc2cncc3c2cccc3	87H	(2r)-2-(3-fluorophenyl)-n-(isoquinolin-4-yl)propanamide
+Cn1cncc1[C@](c2ccc3c(c2)c(c(c(n3)OC)c4ccc(cc4)S(=O)(=O)C)Cl)(c5ccc(nc5)C(F)(F)F)O	87J	(s)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
+c1ccc(cc1)[C@@H](C(=O)O)n2cccc2	87L	(2s)-2-phenyl-2-pyrrol-1-yl-ethanoic acid
+CCS(=O)(=O)Nc1ccc(c(c1)c2c3c(c([nH]2)C)C(=O)NN=C3)Oc4ccccc4	87M	n-[3-(7-methyl-1-oxo-2,6-dihydro-1h-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O	87N	[(2~{r},3~{r},4~{s},5~{s},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate 
+CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O	87O	phosphono hexadecanoate
+Cc1c2c(c([nH]1)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C)CCCC2=O	87P	n-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide
+CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C	87R	6-methyl-n-[(1r)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c(cc([nH]1)c2ccccc2Oc3ccc(cc3)Cl)C(=O)N	87S	5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1h-pyrrole-3-carboxamide
+Cn1cc(cn1)c2c[nH]c3c2cc(cc3)Oc4ccc(cc4)NC(=O)CN	87T	n-(4-{[3-(1-methyl-1h-pyrazol-4-yl)-1h-indol-5-yl]oxy}phenyl)glycinamide
+CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)N/C(=C\c3cccc(c3)C(=O)c4ccc(cc4)F)/C(=O)N2	87U	(3z,6z)-3-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]-6-[[3-(4-fluorophenyl)carbonylphenyl]methylidene]piperazine-2,5-dione
+Cc1c(cc([nH]1)c2ccccc2)C(=O)N	87V	2-methyl-5-phenyl-1h-pyrrole-3-carboxamide
+C1CCC(CC1)CCCCC(=O)O	87X	5-cyclohexylpentanoic acid
+C[C@@]1(C(=NC2=C(N1)N=C(NC2=O)N)CO)CCc3ccccc3	87Y	7,8-dihydro-6-hydroxymethyl-7-methyl-7-[2-phenylethyl]-pterin
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O	87Z	[(2~{r},3~{r},4~{s},5~{r},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CCCn1c(c(nc1C2CCNCC2)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CCCCC5	880	cyclohexyl-{4-[5-(3,4-dichlorophenyl)-2-piperidin-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine
+c1cc(ncc1)/C(=N/c2cc(c(cc2)c3oc(cc3)c4c(cc(cc4)/N=C(\N)/c5ncccc5)OC6CCNCC6)OC7CCNCC7)/N	881	n',n''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide
+CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O	882	(3r,5r)-7-[5-(anilinocarbonyl)-3,4-bis(4-fluorophenyl)-1-isopropyl-1h-pyrrol-2-yl]-3,5-dihydroxyheptanoic acid
+CCNC(=O)Nc1[nH]c2c(cc(cc2n1)c3cc(cnc3)F)c4ncccn4	883	1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1h-benzimidazol-2-yl]urea
+Cc1cc(c(cc1Cl)N)S(=O)(=O)[N@@]2CCC[C@H]2C(=O)O	885	1-[(2-amino-4-chloro-5-methylphenyl)sulfonyl]-l-proline
+CC(C)[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)COc3ccc(cc3)C(=O)C(C)C	886	n-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-d-valine
+COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)NC5CC5	887	n-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
+CC(C)CCN1c2ccccc2C(=C(C1=O)C3=NS(=O)(=O)c4ccccc4N3)O	888	3-(1,1-dioxido-4h-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1h)-one
+CC(C)CC(=O)Nc1c2c([nH]n1)C(N(C2)C(=O)C3CCN(CC3)C)(C)C	889	n-{6,6-dimethyl-5-[(1-methylpiperidin-4-yl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide
+CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5	88A	8-(4-methylsulfonylphenyl)-n-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
+C(CC(=O)O)C(=O)NN	88B	4-diazanyl-4-oxidanylidene-butanoic acid
+CCN(CC)S(=O)(=O)c1cc(ccc1Cl)Nc2nccc(n2)c3ccnc(c3)c4ccc(cc4)NC(=O)NC	88C	1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea
+Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccc[se]3	88D	n-(2-methylphenyl)-nalpha-(selenophene-2-carbonyl)-d-phenylalaninamide
+Cc1cc(nn1c2ccc3ccccc3c2)OCCN4CCOCC4	88E	4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine
+Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccccc3	88G	nalpha-(benzenecarbonyl)-n-(2-methylphenyl)-d-phenylalaninamide
+CCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCCCC[C@H]3C[C@@H](OC3=O)C)O)O	88I	(3~{s},5~{s})-5-methyl-3-[(13~{r})-13-oxidanyl-13-[(2~{r},5~{r})-5-[(2~{r},5~{r})-5-[(1~{r})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one
+Cn1cncc1[C@@](c2ccncc2)(c3ccc4c(c3)c(c(c(n4)N(C)C)c5ccccc5)Cl)O	88J	(s)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1h-imidazol-5-yl)(pyridin-4-yl)methanol
+CCc1ccc(cc1)OP(=O)(O)O	88L	(4-ethylphenyl) dihydrogen phosphate
+CCOC1=CC(=O)N(C=C1c2cc(ccc2Oc3ccc(cc3F)F)NS(CC)(O)O)C	88M	5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1h)-one
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O	88N	{4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid
+CCOC(=O)c1c2c(c([nH]1)C)C(=O)CCC2	88P	ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindole-1-carboxylate
+C1C[C@@](CO[C@@H]1[C@@H]2CC[C@@](CO2)(CO)O)(CO)O	88Q	1,5:6,10-dianhydro-3,4,7,8-tetradeoxy-2,9-bis-c-(hydroxymethyl)-l-manno-decitol
+COc1ccc(cc1OC)CC(C(=O)O)C(=O)O	88R	2-((3,4-dimethoxyphenyl)methyl))propanedioic acid
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N	88S	n-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide
+Cc1nc2ccccc2c(n1)N(C)c3ccc(cc3)OC	88U	n-(4-methoxyphenyl)-n,2-dimethyl-quinazolin-4-amine
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCc3ccc(cc3)CC(C(=O)O)C(=O)O	88V	(4-{2-[({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}carbamoyl)amino]ethyl}benzyl)propanedioic acid
+CCNC(=O)NCCC(=O)Nc1ccc2c(c1)sc(n2)C	88W	n~3~-(ethylcarbamoyl)-n-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide
+CCC1=CC(=O)N=C2N1C=C(N2)C(=O)c3ccccc3	88X	5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1h)-one
+Cc1c(cc([nH]1)c2ccccc2N)C(=O)C	88Y	1-[5-(2-aminophenyl)-2-methyl-1h-pyrrol-3-yl]ethan-1-one
+COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	88Z	n-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
+CN(c1ccc(c(c1)N)OC)C2=CC(=O)Oc3c2cccc3	890	4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one
+C[C@@H](CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C	891	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1s)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)N)C(=O)c4cc(c(c(c4)Br)O)Br	892	3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid (4-sulfamoyl-phenyl)-amide
+CCOc1c(ccc(n1)C(=O)NCc2cc(ccc2OC)OC)C#N	893	5-cyano-n-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)CCc3ccc(s3)Cl	894	2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl	895	2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethenesulfonamide
+CCN(C(C)C)C(=O)c1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C	896	n-ethyl-n-isopropyl-3-methyl-5-{[(2s)-2-(pyridin-4-ylamino)propyl]oxy}benzamide
+Cc1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C(=O)N(CCC(=O)NC(C)(C)C)C(C)C	897	n-[3-(tert-butylamino)-3-oxopropyl]-n-isopropyl-3-methyl-5-{[(2s)-2-(pyridin-4-ylamino)propyl]oxy}benzamide
+C[C@@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)\C=C\c3ccc(s3)Cl)N(C)C	898	(e)-2-(5-chlorothiophen-2-yl)-n-[(3s)-1-{4-[(1s)-1-(dimethylamino)ethyl]-2-fluorophenyl}-2-oxopyrrolidin-3-yl]ethenesulfonamide
+C[C@H](C(=O)NC(C)C(=O)N)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C	89A	2-[[(2r)-2-[[(1r,2s,3r,4r,5r)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide
+CN(c1ccc(c(c1)O)OC)C2=CC(=O)Oc3c2cccc3	89C	4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one
+CCS(Nc1ccc2c(c1)C3=CN(C(=O)C=C3OCCCCc4cc(cc(c4O2)F)F)C)(O)O	89D	17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2h)-one
+c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4	89E	3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole
+CN1CCN(CC1)[C@H]2Cc3ccccc3Sc4c2cc(cc4)SC	89F	1-methyl-4-[(5~{s})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
+CN1C(=O)C=C(C(=N1)c2ccccc2Oc3ccccc3)OC	89G	5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2h)-one
+CN(C)c1ccc(cc1)c2c(ncnc2N)C#Cc3ccc(nc3)N4CCOCC4	89I	5-[4-(dimethylamino)phenyl]-6-[(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine
+CNC1=CC(=O)N(N=C1c2ccccc2)C	89J	2-methyl-5-(methylamino)-6-phenylpyridazin-3(2h)-one
+C/C(=C\COc1ccccc1CN(C)C(=O)c2ccc(cc2)c3ccco3)/CCC(=O)O	89L	(e)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid
+CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccc3ccccc3n2)NC(=O)C4CCC(CC4)CN	89M	nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-n-octyl-o-[(quinolin-2-yl)methyl]-l-tyrosinamide
+C(/C=C/CO)O	89N	(2e)-but-2-ene-1,4-diol
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4	89O	(5s,5ar,8ar,9r)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5h-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)ccc(n5)C(=O)O	89P	6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid
+CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C(F)(F)F)C	89R	fluorinated heme
+CCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccncc2)NC(=O)C3CCC(CC3)CN	89S	nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-n-octyl-o-[(pyridin-4-yl)methyl]-l-tyrosinamide
+COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4c2cccc4	89U	10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one
+CC(C)([C@@H](C(=O)O)O)O	89V	(2s)-2,3-dihydroxy-3-methylbutanoic acid
+c1ccc(cc1)C(=O)N[C@@H]2CCCNC2	89W	n-[(3r)-piperidin-3-yl]benzamide
+CC(C)C[C@@H](C(=O)N[C@H](c1ccccc1)C(=O)NO)NC(=O)NCc2ccccc2	89X	(2s)-4-methyl-n-[(1r)-2-(oxidanylamino)-2-oxidanylidene-1-phenyl-ethyl]-2-[(phenylmethyl)carbamoylamino]pentanamide
+C1[C@@]([C@H](C(=O)O1)O)(CO)O	89Y	(3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one
+Cc1ccccc1c2cc(cc(c2)C(F)(F)F)[C@@]3(c4c([nH]nc4OC(=C3C#N)N)C)C(C)C	8A0	(4~{s})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile
+C[C@](CO)(C(=O)O)O	8A1	(2s)-2,3-dihydroxy-2-methylpropanoic acid
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)CC(F)(F)F)C(C)C)C#N)N	8A3	4-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{n}-methyl-~{n}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide
+Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)c(c(c(n4)OC)Cc5ccc(cc5)n6cccn6)Cl)O	8A4	(r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methanol
+COc1ccc(cc1OC)CN2CCOCC2	8A5	4-[(3,4-dimethoxyphenyl)methyl]morpholine
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)Cc5ccccc5)C(C)C)C#N)N	8A6	4-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{n}-methyl-~{n}-(phenylmethyl)benzenesulfonamide
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5	8A7	(5r)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione
+CC(=O)N(c1ccc2cc3ccccc3cc2c1)c4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)O)O)NC(=NC5=O)N	8AA	8-[acetyl(anthracen-2-yl)amino]-2'-deoxy-5'-o-(dihydroxyphosphanyl)guanosine
+Cc1cccc(n1)N2CCN[C@H](C2)C	8AB	(3s)-3-methyl-1-(6-methylpyridin-2-yl)piperazine
+C(CCCC(=O)O)CCCN	8AC	8-aminooctanoic acid
+CN(C)CCCCNC(=O)c1cccc2c1nc3ccccc3c2N	8AD	9-amino-(n-(2-dimethylamino)butyl)acridine-4-carboxamide
+c1ccc-2c(c1)Cc3c2cc(cc3)Nc4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)O)O)NC(=NC5=O)N	8AF	[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-(9~{h}-fluoren-3-ylamino)-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
+CC(=O)N(c1ccc2cc3ccccc3cc2c1)C4NC5=C(N4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(NC5=O)N	8AG	8-[acetyl(anthracen-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate)
+Cc1nc(c2c(n1)n(c(n2)C)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	8AH	5'-o-(dihydroxyphosphanyl)-2,8-dimethyladenosine
+CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl	8AJ	2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-n,n-dimethylethan-1-amine
+Cc1cc(no1)C(=O)N(C2CC2)C(C)C	8AK	n-cyclopropyl-5-methyl-n-(propan-2-yl)-1,2-oxazole-3-carboxamide
+CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cn(nc4OC)C	8AM	n-[(3r,4r)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1h-pyrazol-4-yl)amino]-9-(propan-2-yl)-9h-purin-2-yl}pyrrolidin-3-yl]propanamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O)N	8AN	3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate)
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)Cc5ccccc5)C(C)C)C#N)N	8AO	(4~{s})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{h}-pyrano[2 ,3-c]pyrazole-5-carbonitrile
+c1ccc(cc1)CNc2cccnc2N	8AP	n~3~-benzylpyridine-2,3-diamine
+O[As](=O)([O-])[O-]	8AR	hydrogen arsenate
+C1COCCN1CCC(=O)O	8AS	3-(morpholin-4-yl)propanoic acid
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4Cl)C(C)C)C#N)N	8AU	(4~{s})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5- carbonitrile
+C1CCC(CC1)[C@@H](CN)N	8AV	(1s)-1-cyclohexylethane-1,2-diamine
+CC[C@H](C)C(=O)N[C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc2cncs2)Cc3ccccc3	8AW	1,3-thiazol-5-ylmethyl [(2r,5r)-5-{[(2s)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)Cl)(F)F	8AX	6-{[(3r,4r)-4-(2-{[2-(3-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC(C)c1ccc2c(c1)sc(n2)C[C@@H](C(=O)O)N	8AY	3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanine
+C1=Nc2c(nnn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)[C@H](N1)O	8AZ	8-aza-nebularine-5'-monophosphate
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4C#N)C(C)C)C#N)N	8B0	(4~{s})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)CCN3CCOCC3)C4CCCCC4	8B1	n-[(1s)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide
+C[C@H](c1ccc(cc1)N2CCOCC2)N	8B2	(1r)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4F)C(C)C)C#N)N	8B3	(4~{s})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5- carbonitrile
+C[C@@]1([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)OP(=O)(O)O)c2cnc3n2ncnc3N)F	8B4	(1s)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-d-ribitol
+c1coc2c1c(c3c(c2)OC(=O)C=C3)O	8B6	4-oxidanylfuro[3,2-g]chromen-7-one
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O)O	8B7	6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranose
+CC(=O)N[C@@H]1[C@H](C[C@H](O[C@@H]1O)CO)O	8B9	2-acetamido-2,4-dideoxy-alpha-d-xylo-hexopyranose
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3C[C@@H]([C@H](O3)COP(=O)(=O)O)O)N	8BA	8-bromo-deoxyadenosine-5'-monophosphate
+C1CC(CCC1C(=O)N/C(=C/S)/N)C(=O)O	8BB	trans-4-{[(e)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid
+CC(=O)Nc1cccc(c1C(=O)O)F	8BC	2-acetamido-6-fluorobenzoic acid
+COc1ccccc1\C=N/OCCC(=O)O	8BD	3-({[(1z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid
+C[C@H](CCC[C@H](c1ccc(cc1)O)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8BF	(1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{r})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{ a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CC(C)CN(C1(CC1)[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)S(=O)(=O)c5ccc(cc5)N	8BG	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2s)-1-(1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}cyclopropyl)-1-hydroxy-3-phenylpropan-2-yl]carbamate
+C[C@@H]1CC(C[C@H]1NCc2cc[nH]n2)(C)C	8BI	(1r,2r)-2,4,4-trimethyl-n-[(1h-pyrazol-3-yl)methyl]cyclopentan-1-amine
+CC/N=C\1/N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	8BJ	(2z,3ar,5r,6s,7r,7ar)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+C[C@H](CCCC(=O)c1ccc(cc1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8BL	(5~{r})-5-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl)cyclohexyl idene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one
+CC(C)n1cnc2c1nc(nc2Nc3ccc(cc3)N4CCN(CC4)C)N[C@H]5CCN(C5)C(=O)C	8BM	4-(4-{[2-{[(3s)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9h-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
+Cc1[nH]c2cc(cc(c2n1)O[C@H]3CCOc4c3c(cc(c4)F)F)C(=O)N(C)C	8BN	tegoprazan
+C[C@H](CCC[C@@H](c1ccc(cc1)O)OC)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8BO	(1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{s})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C(C)C)Nc4cnn(c4)C	8BP	n-[(3r,4r)-4-fluoro-1-{6-[(1-methyl-1h-pyrazol-4-yl)amino]-9-(propan-2-yl)-9h-purin-2-yl}pyrrolidin-3-yl]propanamide
+c1cc(cc(c1)F)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O	8BQ	7-[(3s,4r)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	8BR	8-bromo-adenosine-5'-monophosphate
+CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C)Nc4cn(nc4OC)C	8BS	n-[(3r,4r)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1h-pyrazol-4-yl)amino]-9-methyl-9h-purin-2-yl}pyrrolidin-3-yl]propanamide
+CS(=O)(=O)NC1CCCC1	8BT	n-cyclopentylmethanesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([C@H](F)P(=O)(O)OP(=O)(O)O)O)O)O)N	8BU	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(s)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
+CC(C)Oc1ccccc1C(=O)N	8BV	2-[(propan-2-yl)oxy]benzamide
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3Cl)(F)F	8BX	6-{[(3r,4r)-4-(2-{[2-(2-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC(C)Oc1cc2c(cccc2c3ccc(cc3)C#N)cc1C(=O)N	8BY	5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide
+Cc1cccc2c1[C@@H](CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO	8BZ	n-(2-hydroxyethyl)-n,2-dimethyl-8-[[(4r)-5-methyl-3,4-dihydro-2h-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide
+CCCC[C@@H](CC[C@@H](c1ccc(cc1)O)OC)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8C0	(1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},3~{s})-3-[(3~{s})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CC(C)Oc1cc2c(ccnc2cc1C(=O)N)O[C@@H]3CCCNC3	8C1	4-{[(3r)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide
+Cc1c(c(n[nH]1)C)CNC2CCCCC2	8C2	n-[(3,5-dimethyl-1h-pyrazol-4-yl)methyl]cyclohexanamine
+CCN(CC)CCCNC(=O)CN1C(=O)c2cc3c(n2C(=N1)C)ccs3	8C3	n-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide
+CONC(=O)C1=CN(c2c(cnc(n2)Nc3ccc(cc3)CCN4CCCC4)C1=O)C5CCCCC5	8C5	8-cyclohexyl-n-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([C@@H](P(=O)(O)O)Cl)O)O)O)N	8C6	[(r)-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-chloranyl-methyl]phosphonic acid
+CCCC[C@@H](CCC(=O)c1ccc(cc1)O)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8C9	(4~{s})-4-[(1~{r})-1-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one
+c1ccc(cc1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3	8CA	9-benzyl-2,3,4,9-tetrahydro-1h-carbazole-8-carboxylic acid
+Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O	8CB	(1'r,2'r)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol
+CNC(=O)c1cc(c[nH]1)c2ccncc2	8CC	n-methyl-4-pyridin-4-yl-1h-pyrrole-2-carboxamide
+CC(C)Oc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)cc1C(=O)N	8CD	1-{[(2s)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide
+Cc1c(n2ccc3c(c2n1)N[C@@H]([C@H]([C@@H]3OCCOC)O)c4ccccc4)C	8CE	soraprazan
+CCC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	8CF	n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
+CC[C@H]1[C@H](NC(=O)[C@H]1F)COc2c3cc(c(cc3ccn2)C(=O)N)OC	8CG	1-{[(2s,3s,4s)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide
+C[C@@H]1CCCN([C@@H]1C(=O)OC)S(=O)(=O)C	8CH	methyl (2s,3r)-1-(methanesulfonyl)-3-methylpiperidine-2-carboxylate
+Cc1c(nc(nc1N2CCc3ccccc3[C@H]2C)Nc4ccc(cc4)F)C	8CK	n-(4-fluorophenyl)-4,5-dimethyl-6-[(1r)-1-methyl-3,4-dihydro-1h-isoquinolin-2-yl]pyrimidin-2-amine
+c1ccc(cc1)Cl	8CL	chlorobenzene
+c1cc2c(c(c1)O)OC(=O)C=C2	8CM	8-hydroxycoumarin
+C[C@H]1CCCCN1C(=O)[C@@H](C)N	8CN	(2r)-2-amino-1-[(2s)-2-methylpiperidin-1-yl]propan-1-one
+CC(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	8CO	n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O	8CP	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine
+CC(C)(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	8CR	n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide
+C1[C@@H]2[C@@H](C(=O)[C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)O[P@@](=O)(O1)O	8CS	(2r,4ar,5ar,11ar,12as)-8-amino-2-hydroxy-4a,5a,9,11,11a,12a-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridine-10,12(4h,6h)-dione 2-oxide
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C/C=C\C=C(/C)\C=C/C=C(\C)/C=C/[C@H]2C(=CCCC2(C)C)C)\C)/C	8CT	(6'r,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene
+CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Br)c3ccc(cc3)OC	8CU	n-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide
+[H]/N=C(/N)\N/C(=N/[H])/NCCc1ccccc1	8CV	n-(2-phenylethyl)imidodicarbonimidic diamide
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNC[C@@H](c3cccc(c3)F)F	8CX	6-{[(3r,4r)-4-(2-{[(2r)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O	8CY	ruthenocenyl-7-aminodesacetoxycephalosporanic acid, bound form
+Cc1c(scn1)C(=O)N(C)[C@@H](C)C2CC2	8CZ	n-[(1s)-1-cyclopropylethyl]-n,4-dimethyl-1,3-thiazole-5-carboxamide
+CC1([C@@H]2CC[C@H](C[C@H]2c3c(cc(cc3O1)C(C)(C)CCCCCCN=C=S)O)CO)C	8D0	(6~{a}~{r},9~{r},10~{a}~{r})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol
+[H]/N=C(/c1c(nn(n1)c2cccc(c2)C)N)\NCc3ccccc3OC	8D1	5-amino-n-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2h-1,2,3-triazole-4-carboximidamide
+CC1=CC[C@@H]2[C@@H](C1)c3c(cc(cc3OC2(C)C)C(C)(C)CCCCCCBr)O	8D3	(6ar,10ar)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
+c1ccc(cc1)c2c(nn[nH]2)C(=O)O	8D4	5-phenyl-1h-1,2,3-triazole-4-carboxylic acid
+c1cnccc1c2c[nH]c(c2Cl)C(=O)N	8D6	3-chloranyl-4-pyridin-4-yl-1h-pyrrole-2-carboxamide
+CCCC(CCC)COc1cccc(c1)[C@@H](CCN)O	8D7	(1r)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol
+C[C@H](C1CC1)NC(=O)C2C=CC=NC2=O	8D8	(3s)-n-[(1r)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide
+C1[C@H]([C@@H](O[C@@H]1N2C3=NCNC(=C3NC2=O)N)CO)O	8DA	8-oxodeoxyadenosine
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N	8DD	8-oxo-7,8-dihydro-2'-deoxy-adenosine-5'-diphosphate
+c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4	8DE	2,2-diphenyl-~{n}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	8DG	8-oxo-2'-deoxyguanosine-5'-triphosphate
+CC(C)N(C)S(=O)(=O)N1CCNC(=O)C1	8DH	n-methyl-3-oxo-n-(propan-2-yl)piperazine-1-sulfonamide
+c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)OCO5	8DJ	5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(pyridin-2-yl)methyl]benzamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N	8DM	n-(4-aminobenzene-1-carbonyl)-l-glutamic acid
+Cc1cc(cc(c1)n2cc(nn2)C)C	8DN	1-(3,5-dimethylphenyl)-4-methyl-1h-1,2,3-triazole
+Cc1cc2c(cc1N)[n+](c3c(n2)C(=O)NC(=O)N3)CC(=O)[C@H]([C@H](COP(=O)(O)O)O)O	8DP	8-demethyl-8-aminoriboflavin-5'-phosphate
+c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4	8DQ	8-phenyl-2-piperazin-1-yl-chromen-4-one
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cccc3c2nsn3	8DR	(s)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid
+c1cc(ccc1CCNC(=O)c2cc3c(s2)cncc3Cl)Cl	8DS	4-chloranyl-n-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide
+CC(=O)NC/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	8DT	 5-(3-(acetamide-n-yl)-1-propen-1-yl)-2'-deoxyuridine
+COc1ccc(cc1)c2c(noc2NC(=O)C3CC3)c4cc(c(cc4O)O)Cl	8DU	n-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C6CC6	8DV	(r)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1h-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine
+C1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O	8DX	(2r,3ar,6s,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-6-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
+C[C@@H](CN(C)C)S(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3ccccc3)N	8DY	3-amino-6-(4-{[(2s)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-n-phenylpyrazine-2-carboxamide
+COc1cc(cc(c1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)c3cc(c(c(c3)OC)OC)OC	8DZ	(1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)
+c1cc(ccc1N/C=C\2/c3c(ccc4c3scn4)NC2=O)S(=O)(=O)N	8E1	4-{[(z)-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide
+CC(C)(C)OC(=O)COCCOCCOCCOCCNC(=O)COc1ccc(cc1)N2CCN(CC2)CCn3c4c(cn3)c5nc(nn5c(n4)N)c6ccco6	8E2	preladenant conjugate psb-2113
+c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(o3)CNCC4)F	8E3	6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide
+CCC[C@@H](CCO)COc1cccc(c1)[C@@H](CCN)O	8E4	(3s)-3-({3-[(1r)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol
+c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CCNC4)F	8E6	6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide
+CCCCCCCCCCNCCS	8E7	2-(decylamino)ethane-1-thiol
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N	8E8	1-[(3~{r})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
+Cc1cccc(c1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)O	8E9	1-amino-4-(3-methylphenyl)amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
+CCCCCCCCCCNCCSSCc1ccc(cc1)Cl	8EA	n-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine
+c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CNCC4)F	8EC	6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{h}-benzimidazole-4-carboxamide
+Cc1ncc(c(n1)N)CN2CS[C@H](C2=C)CCOP(=O)(O)OP(=O)(O)O	8EF	2-[(5s)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate
+Cc1ccc(cn1)C(=O)N	8EJ	6-methylpyridine-3-carboxamide
+c1cc(cc(c1)CSC2=NC(=C(C(=O)N2)C#N)c3cccs3)CC(=O)O	8EK	2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1h-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid
+Cc1ncc(c(n1)N)CN2CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O	8EL	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2h-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+CCCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccco6)C(=O)c7ccccc7	8EM	n-[(furan-2-yl)methyl]-n-(4-oxo-2-propyl-3-{[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide
+Cc1ccc(cc1c2ccc3nc(cn3c2)NC(=O)C)NC(=O)c4cccc(c4)C(F)(F)F	8EN	~{n}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
+Cc1ncc(c(n1)N)C[N+]2=C([C@@H](SC2)CCOP(=O)(O)OP(=O)(O)O)C	8EO	2-[(5s)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
+C1[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O	8EP	(2r,3ar,6r,7s,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-6,7-dihydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
+CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O	8EQ	3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid
+CCC1=Nc2ccc(cc2C(=O)N1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)N(Cc6ccccc6)C(=O)c7cccs7	8ES	n-benzyl-n-(2-ethyl-4-oxo-3-{[2'-(2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide
+c1cc2c(cccn2)c(c1)NC(=O)c3cccnc3	8ET	~{n}-quinolin-5-ylpyridine-3-carboxamide
+CCP(=O)(O)OCc1ccc(cc1)[N+](=O)[O-]	8EU	ethyl-[(4-nitrophenyl)methoxy]phosphinic acid
+CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N	8EV	3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile
+CC(=CC(=O)O)CC(=O)O	8EW	3-methylpent-2-enedioic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O)O	8EX	2-acetamido-2-deoxy-4,6-di-o-sulfo-beta-d-galactopyranose
+Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N	8EY	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile
+C[C@H]1CCCC[C@H]1C(=O)O	8EZ	(1~{r},2~{s})-2-methylcyclohexane-1-carboxylic acid
+Cc1ccc(cc1)[C@H](C)Nc2ccc3c(c2)N([C@H](C(=O)N3C)C)C4CC4	8F0	(3~{s})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{s})-1-(4-methylphenyl)ethyl]amino]-3~{h}-quinoxalin-2-one
+Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N	8F1	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile
+c1ccc(cc1)[C@@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O	8F2	(r)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1h-2-carbonyl)benzenesulfonamide
+c1ccc(cc1)[C@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O	8F3	4-[[(1~{s})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]benzenesulfonamide
+C1CCNC(=O)[C@H](C1)N	8F4	(3~{s})-3-azanylazepan-2-one
+C[C@@H]1C2=C(C(C(=N2)/C=C\3/[C@H]([C@](C(=N3)/C(=C\4/[C@H]([C@]([C@@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)/CC=C)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O	8F5	3-[(1~{r},2~{s},3~{s},4~{z},7~{s},8~{s},9~{z},15~{r},17~{r},18~{r},19~{r})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid
+C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)N[C@H](C)c4ccccc4)C	8F6	(3~{r})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{r})-1-phenylethyl]amino]-3~{h}-quinoxalin-2-one
+Cc1cc(nc2c1ccc(c2)CCc3cc(cc(c3)C#N)CNC)N	8F7	3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile
+Cc1ccc(cc1)[C@H](C)Nc2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CC4	8F9	(3~{r})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{s})-1-(4-methylphenyl)ethyl]amino]-3~{h}-quinoxalin-2-one
+C[C@H]1[C@@H](C(N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C	8FB	(3~{s},4~{r},5~{s})-5-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[(3~{s},5~{s})-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-4-methyl-pyrrolidine-2-carboxylic acid
+Cc1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)N(C(C(=O)N3C)(C)C)C4CC4	8FC	~{n}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide
+Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N	8FD	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2s)-2-(methylamino)propyl]benzonitrile
+CCCC[C@@H](CCC(=O)c1ccc[nH]1)[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	8FF	(4~{s})-4-[(1~{r})-1-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[2-[(3~{r},5~{r})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]ethyl]-1-(1~{h}-pyrrol-2-yl)octan-1-one
+CC(=O)N(c1ccc-2c(c1)Cc3c2cccc3)c4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(NC5=O)N	8FG	n-(5'-phospho-2'-deoxyguanosin-8-yl)-2-acetylaminofluorene
+C(C(Cl)(Cl)Cl)O	8FH	2,2,2-tris-chloroethanol
+CN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)[C@@H]4CCCO4	8FK	(2~{s})-~{n}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide
+Cc1ncc(c(n1)N)CN2[C@@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)O	8FL	2-[(2r)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2h-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc(cc5)OC	8FM	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1ccc2c(c1)C(=O)N(c3ccc(cc3S2)c4nc(on4)c5cnccn5)C6CC6	8FN	5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one
+Cc1csc(n1)[C@H]2CCCN2C(=O)c3cccc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CN(CC(C)C)S(=O)(=O)c5ccc(cc5)OC)O	8FP	n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3-[(2r)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide
+[H]/N=C(\CF)/NCCC[C@@H](c1nc2c(n1C)cccc2OC)NC(=O)c3cccc4c3C(=O)NC4	8FQ	~{n}-[(1~{s})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide
+Cn1cc(nc1)Nc2c3cc(ccc3nc(n2)N4CCC(CC4)N)Cl	8FR	2-(4-azanylpiperidin-1-yl)-6-chloranyl-n-(1-methylimidazol-4-yl)quinazolin-4-amine
+C#Cc1ccc(cc1F)F	8FS	1-ethynyl-2,4-difluorobenzene
+[H]/N=C(\CF)/NCCC[C@@H](c1nc2c(n1C)cccc2OC)NC(=O)c3cccc4c3C(=O)N(C4)CC	8FT	2-ethyl-~{n}-[(1~{s})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{h}-isoindole-4-carboxamide
+Cc1cc(n[nH]1)Nc2c3cc(ccc3nc(n2)C(=O)N4CCN[C@@H](C4)C)Cl	8FU	[6-chloranyl-4-[(5-methyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3r)-3-methylpiperazin-1-yl]methanone
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(nc(nc4[nH]3)C)c5ccnc6c5cccc6	8FV	7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9h-pyrimido[4,5-b]indole
+[H]/N=C(\C)/NCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3cccc4c3C(=O)N=C4	8FW	~{n}-[(1~{s})-1-(1~{h}-benzimidazol-2-yl)-4-(ethanimidoylamino)butyl]-3-oxidanylidene-isoindole-4-carboxamide
+C[C@@H]1CN(CCN1)C(=O)c2nc3ccc(cc3c(n2)Nc4cc([nH]n4)C5CC5)Cl	8FX	[6-chloranyl-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3r)-3-methylpiperazin-1-yl]methanone
+CNc1nc2c(c(c[nH]2)c3ccc4c(c3)cccn4)c(n1)NCc5ncccn5	8FY	n~2~-methyl-n~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+c1cc(cnc1)Oc2ccc(o2)CN	8FZ	(5-pyridin-3-yloxyfuran-2-yl)methanamine
+c1cc(cc(c1)C(=O)O)C(=O)O	8G0	benzene-1,3-dicarboxylic acid
+c1cc2c(c(c1)C#N)[C@]3(CC2)NC(=O)C4=C5CCN(C(=O)C5=C(C(=O)N34)O)Cc6ccc(c(c6)Cl)F	8G1	(3r)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2h-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile
+COC(=O)c1ccc(cc1)C[NH3+]	8G2	(4-methoxycarbonylphenyl)methylazanium
+Cc1cc2nc(cc(n2n1)O)CCc3nc4ncccn4n3	8G3	2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-ol
+c1cc(c(cc1CN2CCC3=C4C(=O)N([C@]5(N4C(=O)C(=C3C2=O)O)CC[C@H]6[C@@H]5C6)CCN7C(=O)C=CC7=O)Cl)F	8G4	(1s,2s,5r)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione
+c1c(nc(s1)N)[C@H]2CC(=O)OC23CCCCC3	8G5	(4r)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
+Cc1cc2nccc(n2n1)c3ccc(cc3)Cl	8G6	7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine
+CC(=C[C@@H]1C[C@](OC2=C1C(=O)N(c3c2cccn3)C)(C)CCO)C	8G7	(2r,4s)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one
+Cn1cnc2c1nc(nc2)Cl	8G8	2-chloranyl-9-methyl-purine
+C[Se]C[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O	8GA	5-se-methyl-5-seleno-alpha-d-ribofuranose
+CC(=O)c1cc(cc(c1O)CCl)Cl	8GB	1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone
+C[n+]1cccc(c1)C(=O)N	8GC	3-carbamoyl-1-methylpyridin-1-ium
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O	8GD	2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate)
+c1ccc2c(c1)cc([nH]2)c3ccc(cc3)S(=O)(=O)N	8GE	4-(1~{h}-indol-2-yl)benzenesulfonamide
+Cc1nccc(n1)N	8GF	2-methylpyrimidin-4-amine
+C[Se]C[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O	8GG	5-se-methyl-5-seleno-beta-d-ribofuranose
+c1cnn(c1)Cc2ccc(cc2)c3ccc(cc3)S(=O)(=O)N	8GH	4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
+CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)O	8GI	1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea
+C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C	8GJ	(2r)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+c1ccc2c(c1)cccc2C(=O)NO	8GK	~{n}-oxidanylnaphthalene-1-carboxamide
+C(C[C@](C(=O)O)(N)O)C(=O)O	8GL	(2s)-2-azanyl-2-oxidanyl-pentanedioic acid
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)O	8GM	[(2r,3s,4r,5r)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC(=O)Nc1cc(ccc1N2CC[C@H](C2)N(C)C)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5	8GN	~{n}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{r})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide
+CCN1c2c(ccc(n2)C)C3=C(C1=O)[C@@H](C[C@](O3)(C)CCO)C=C(C)C	8GO	(2r,4s)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one
+C1CC1NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	8GP	n-[(cyclopropylamino)(oxo)acetyl]-beta-d-glucopyranosylamine
+c1c2cc(c3c1CCC(=O)N3)OC/C=C/CO[C@H]4C[C@H](N(C4)c5cc(n6c(n5)c(cn6)C#N)N2)CO	8GQ	pyrazolo-pyrimidine macrocycle
+COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4cccc5)/C2=O	8GR	(2z)-2-(1h-indol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
+CC(C)n1cnnc1c2cccc(n2)N3Cc4ccccc4C3=O	8GS	2-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1h-isoindol-1-one
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O	8GT	8-oxo-guanosine-5'-triphosphate
+COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4nccc5)/C2=O	8GU	(2z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1h-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one
+CC(C)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OC[C@@H]5CN(CCO5)C	8GV	6-{[(2s)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1h-isoindol-1-one
+COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4ccnc5)/C2=O	8GX	(2z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1h-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one
+C[C@H](CO)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OC(C)C	8GY	2-(6-{4-[(2r)-1-hydroxypropan-2-yl]-4h-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1h-isoindol-1-one
+CCCc1cc2cnc(nc2c(c1)OC3CCNCC3)Nc4ccc5cn[nH]c5c4	8H0	n-(1h-indazol-6-yl)-8-piperidin-4-yloxy-6-propyl-quinazolin-2-amine
+COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C@H](Cc5ccccc5)N	8H1	2-(5-{[(2s)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine
+c1cc2c(cc1N)cn[nH]2	8H4	1~{h}-indazol-5-amine
+CC(=C[C@@H]1n2c3cc(ccc3c4c2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)OC)C	8H5	verruculogen
+CCC(=O)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O	8H6	s-[2-[3-[[(2r)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2r)-2-methyl-3-oxidanylidene-pentanethioate
+c1cc(c(cc1O)F)C#N	8H8	2-fluoro-4-hydroxybenzonitrile
+C[C@@H](C(=O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	8HB	(2~{s})-2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid
+c1cc2ccc(nc2c(c1)O)C(=O)O	8HC	8-hydroxyquinoline-2-carboxylic acid
+Cc1coc(n1)CN(C)C(=O)c2cccc(c2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)CO)O	8HD	n~3~-{(2s,3r)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-n~1~-methyl-n~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide
+c1cc(ccc1C#N)c2ccc(cc2)S(=O)(=O)N	8HE	4-(4-cyanophenyl)benzenesulfonamide
+CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccc(cc4)C(C)(C)O	8HF	propyl (2~{r})-4-[4-chloranyl-2-[4-(2-oxidanylpropan-2-yl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O	8HG	2'-deoxy-8-oxoguanosine
+CCNc1cc(nc2n1ncc2)c3cccnc3	8HH	~{n}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine
+CC(C)n1c(c(c(c1C(=O)Nc2ccc(cc2)S(=O)(=O)N)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O	8HI	(3r,5r)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1h-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid
+c1cc2c(cc1O)NC(=O)CC2	8HJ	7-oxidanyl-3,4-dihydro-1~{h}-quinolin-2-one
+c1cc(cnc1)c2ccc(cc2)S(=O)(=O)N	8HK	4-pyridin-3-ylbenzenesulfonamide
+CCCCCCCc1cc(cc(c1C(=O)O)O)O	8HL	2-heptyl-4,6-bis(oxidanyl)benzoic acid
+COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)CC5CCOCC5)-c6ncnn6C2=O	8HM	6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one
+c1cc2c(cc1Nc3cc(nc4n3ncc4C#N)N5CCC[C@H]5CC(=O)O)CCC(=O)N2	8HN	2-[(2~{s})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid
+Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3	8HO	2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid
+c1cc(ccc1CN2c3c(c4c(s3)CCCC4)-c5ncnn5C2=O)Cl	8HP	6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one
+c1cc2c(ccnc2c(c1)O)C(=O)O	8HQ	8-hydroxyquinoline-4-carboxylic acid
+CCCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(c2)nc(cc3Cl)c4ccccc4	8HR	propyl 4-(4-chloranyl-2-phenyl-quinolin-7-yl)carbonylpiperazine-1-carboxylate
+CC1(O[C@@H]([C@@H](O1)C(=O)NO)COP(=O)(O)O)C	8HS	[(4r,5r)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate
+[H]/N=C(\CF)/NCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3ccc(cc3)c4ccccc4	8HT	~{n}-[(1~{s})-1-(1~{h}-benzimidazol-2-yl)-4-(2-fluoranylethanimidoylamino)butyl]-4-phenyl-benzamide
+CC(C)(C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccc(cc4c3)F)O	8HV	5-fluoro-n-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2h-isoindole-2-carboxamide
+Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4F)CNCC(=O)CC(=O)O)F	8HW	4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid
+c12c([nH]c(n1)O)NC(=O)NC2=O	8HX	8-hydroxy-3,9-dihydro-1h-purine-2,6-dione
+c1ccc(cc1)CCCNC(=O)c2ccc(cc2)NC(=O)n3cc4ccccc4c3	8HY	n-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2h-isoindole-2-carboxamide
+Cc1ccc(cc1)Nc2c(nc3n2cccc3C)c4ccc(cc4)O	8HZ	4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol
+COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C@@H](Cc5ccccc5)N	8I1	2-(5-{[(2r)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine
+C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)Cc2ccc(cc2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)Cc4ccc(cc4)N5CCOCC5)CC(C)C)C	8I2	(3~{s},6~{r},9~{s},12~{r},15~{s},18~{r},21~{s},24~{r})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
+CCCCCCCCCc1cc(cc(c1C(=O)O)O)O	8I6	2-nonyl-4,6-bis(oxidanyl)benzoic acid
+CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	8I9	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] tridecanethioate
+c1cc(c(cc1C(=O)O)O)C(=O)O	8IB	2-hydroxyterephthalic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4I)O)O)O)O)C(=O)N	8ID	nicotinamide-8-iodo-adenine-dinucleotide
+Cc1nnc2n1c(nc3c2scc3)N4Cc5ccccc5[C@H](C4)C	8IE	(4r)-3-methyl-5-[(4r)-4-methyl-3,4-dihydroisoquinolin-2(1h)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
+c12c([nH]c(n1)I)N=C(NC2=O)N	8IG	8-iodo-guanine
+[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCCNC(=O)COCCOCCOCCOCCNC(=O)COc4ccc(cc4)N5CCN(CC5)CCn6c7c(cn6)c8nc(nn8c(n7)N)c9ccco9)C)C)(F)F	8IM	2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{n}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide
+Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N	8IN	[3-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-propyl-]-phosphonic acid
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCC	8IO	[(2r)-2-[(z)-hexadec-9-enoyl]oxy-3-[oxidanyl-[(2s,3r,5r,6s)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octadecanoate
+c1cc(cc(c1)c2cccnc2)CNc3cccnc3N	8IP	n~3~-(3-pyridin-3-ylbenzyl)pyridine-2,3-diamine
+COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccccc3Cl)c4ccncn4	8IR	n-{4-[(2-chlorophenyl)(pyrimidin-4-yl)carbamoyl]phenyl}-4-methoxybenzamide
+CN(C)[C@@H]1CCN(C1)c2cc(nc3n2ncc3)c4ccccc4	8IU	(3r)-n,n-dimethyl-1-[(8s)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine
+C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)N[C@H](Cc4ccccc4)C(=O)O)C	8IX	n-[(1r,3r,5s,7r)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl]-d-phenylalanine
+C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C	8J0	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,6s)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+Cc1cc(nc2c1ccc(c2)COc3cccc(c3)CNC)N	8J1	4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cccc(c3)NC(=O)C)NC(=O)OC(C)C	8J2	propan-2-yl ~{n}-[(2~{s},4~{r})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{h}-quinolin-4-yl]carbamate
+C[C@H](CC#C[C@@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C	8J3	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,6r)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC	8J4	7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine
+CC1(CC(CC(N1)(C)C)Nc2nc(cs2)c3cccc(c3)c4ccccc4)C	8J6	4-(3-phenylphenyl)-n-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine
+Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N	8J7	4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine
+Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CNCCNC(=O)C)OC	8J8	~{n}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide
+CCCC[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O	8J9	(2~{s})-2-[[(2~{s})-1-[[(2~{s})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid
+C1[C@H](ON=C1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	8JB	(2~{r})-2-azanyl-3-[[(5~{s})-5-[(1~{s})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic acid
+CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4cccc(c4)NC(=O)C=C)C(F)(F)F	8JC	n-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
+CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	8JD	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3r)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
+Cn1c2ccc(cc2cn1)[C@H](c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O	8JE	5-(4-fluorophenyl)-~{n}-[[3-[(~{s})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide
+Cc1cccc(c1C)c2c3cccnc3cc(n2)NC(=O)C	8JF	n-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)O)(C)C(=O)O	8JG	(7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid
+CC(C)C[C@@H](C(=O)NCCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O	8JH	~{n}-[(2~{s})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+c1ccc(cc1)[C@@H](C(=O)O)NC(=O)CCC(=O)O	8JI	n-succinyl-l-phenylglycine
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)O)(C)C(=O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O	8JJ	5'-o-[(r)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine
+COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cc(ccc3F)C(=O)O	8JL	4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
+CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc4c(c3)cn[nH]4	8JM	4-[2-amino-4-ethyl-5-(1h-indazol-5-yl)pyridin-3-yl]phenol
+CCCCN1C(=O)c2c(nc([nH]2)C34C[C@@H]5C[C@H](C3)CC4C5)N(C1=O)/C=C/CO	8JN	1-butyl-3-[(~{e})-3-oxidanylprop-1-enyl]-8-[(1~{r},5~{s})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{h}-purine-2,6-dione
+COc1ccc(c2c1cccc2)S(=O)(=O)Nc3ccc(c(c3)C(=O)O)F	8JO	2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
+CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc(nc3)C(=O)NC	8JP	6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-n-methyl[3,3'-bipyridine]-6-carboxamide
+CC(C)C[C@@H](C(=O)NCCN)NP(=O)(CNC(=O)OCc1ccccc1)O	8JQ	~{n}-[(2~{s})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cccc(c3F)C(=O)O	8JR	2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
+c1cc(ccc1NC(=S)Nc2ccc(cc2)S(=O)(=O)N)F	8JS	4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide
+c1cc2c(cc1C[NH2+]C3CCCC3)OCO2	8JT	1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium
+O1[Fe]S[Fe]2S[Fe]3[S]2[Fe]1S3	8JU	fe4-s4-o cluster
+Cc1ccc(cc1)[C@H]2CC[C@H](N2C(=O)CN[C@@H](CCc3ccccc3)C(=O)O)C(=O)O	8JV	(2~{s},5~{r})-5-(4-methylphenyl)-1-[2-[[(2~{s})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid
+C1=C(C(=O)NC=C1C(F)(F)F)N	8JW	3-azanyl-5-(trifluoromethyl)-1~{h}-pyridin-2-one
+COc1ccc(c2c1cccc2)S(=O)(=O)NCCCCC(=O)O	8JX	5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid
+CCCCCCC(=O)Oc1c(c(c(c(c1OP(=O)(O)OC[C@@H](COCCCCCC)OC(=O)CCCCC)O)O)O)O	8JY	[2-[[(2~{r})-2-hexanoyloxy-3-[(~{e})-hex-3-enoxy]propoxy]-oxidanyl-phosphoryl]oxy-3,4,5,6-tetrakis(oxidanyl)phenyl] (2~{e},4~{e})-hepta-2,4-dienoate
+CCCCOC(=O)C	8JZ	butyl acetate
+c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O)O	8K0	5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O	8K1	5'-o-[(r)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine
+c1cc(sc1S(=O)(=O)N)Cl	8K2	5-chloranylthiophene-2-sulfonamide
+COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F	8K4	2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone 
+c1cc(ccc1CSC(=[NH2+])N)Cl	8K5	[azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium
+CCCCCCCCCCCCCCCCCC	8K6	octadecane
+COC12C[C@H]3CC(C1)C[C@@H](C2)C3(CC(=O)N4CC(C4)O)c5ccc(cc5)F	8K7	1-(3-hydroxyazetidin-1-yl)-2-[(2s,5r)-2-(4-fluorophenyl)-5-methoxyadamantan-2-yl]ethan-1-one
+CCCCN1C(=O)c2c(nc([nH]2)C34C[C@@H]5C[C@H](C3)CC4C5)N(C1=O)CCCO	8K8	1-butyl-3-(3-oxidanylpropyl)-8-[(1~{r},5~{s})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{h}-purine-2,6-dione
+CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OC[C@@H](CN2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)O	8K9	(1~{r},9~{s})-11-[(2~{r})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one
+c1cc(ccc1c2ccc(cc2)F)C3(C4CC5CC3CC(C4)C5O)CC(=O)N6CC(C6)O	8KA	2-[(1r,3s,5r,7s)-2-[4-(4-fluorophenyl)phenyl]-6-hydroxyadamantan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one
+C1COC[C@@H](CN1)O	8KB	(6~{r})-1,4-oxazepan-6-ol
+CCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O	8KC	(2~{s})-2-[[(2~{s})-1-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid
+c1ccc(cc1)CC2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O	8KD	2-(2-benzyl-6-hydroxyadamantan-2-yl)-1-(3-hydroxyazetidin-1-yl)ethan-1-one
+c1ccc(cc1)C2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O	8KG	2-[(5r,7s)-6-hydroxy-2-phenyladamantan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCNC(=O)c4ccc(cc4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C6C(F)(F)F)N7CCN(CC7)C)O	8KH	n-[5-[4-[[5-[[(2s)-3,3-dimethyl-1-[(2s,4r)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1h-pyridine-3-carboxamide
+CC(C)C[C@@H](C(=O)NCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O	8KK	~{n}-[(2~{s})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
+COc1ccc2cc-3[n+](cc2c1OCCC[n+]4cccc5c4cccc5)CCc6c3cc7c(c6)OCO7	8KL	9-o-3'-quinolinium propylberberine
+Cc1ccc(cc1)CS(=O)(=O)Nc2ccc(c(c2)C3CC3)C#N	8KM	n-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide
+CC(C)C[C@@H](C(=O)N[C@@H](CCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	8KN	(2~{s})-5-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid
+CC(C)C[C@@H](C(=O)NO)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O	8KO	(2s)-2-[[(2s,3r)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-n-oxidanyl-pentanamide
+CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(cc2)C	8KP	n-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide
+Cc1ccccc1NC(=O)N[C@H](CC(C)C)C(=O)NO	8KR	(2r)-4-methyl-2-[(2-methylphenyl)carbamoylamino]-n-oxidanyl-pentanamide
+c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O	8KS	(1s,2s,3s,4s)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid
+c1ccc2c(c1)C[C@H](O2)CNC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O	8KU	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-{[(2s)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide
+C[C@@H](c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3	8KV	n-{(1s)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-n'-phenylurea
+COc1cc(cc(c1)O)CCc2ccccc2O	8KW	3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)Nc4ccc(cc4)C(F)(F)F	8KX	3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{n}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OCC(=O)O)Cl	8KY	{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid
+CC(C)C[C@@H](C(=O)NO)NC(=O)NCc1cccc(c1)Cl	8L0	(2s)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)c3nc(cs3)C(F)(F)F)Cl	8L1	n-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-n'-(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)urea
+CC(C)C[C@@H](C(=O)N[C@@H](CN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	8L2	(2~{s})-3-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid
+c1cc(cnc1)OCC2(CCNCC2)Cc3ccc(c(c3)Cl)Cl	8L3	3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine
+[H]/N=C(/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Cl)\NO	8L4	3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-n-hydroxybenzene-1-carboximidamide
+[H].[H].[H].CC(C)C[C@@H](C(=O)NCN)NP(=O)(CNC(=O)OCc1ccccc1)O	8L5	~{n}-[(2~{s})-1-(aminomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid;hydrogen
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl	8L7	n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-d-ribofuranosylamine
+c1ccc(cc1)c2ccc(cc2)/C=C\C[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	8L8	(2r,3s,4r,5s,6r)-2-(hydroxymethyl)-6-[(z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol
+Cc1cc(c(cc1NS(=O)(=O)c2ccc(cc2C(=O)O)NS(=O)(=O)c3cc(cc(c3)Cl)Cl)Br)F	8L9	5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)O[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl	8LA	n-[4-chloro-3-(alpha-d-ribofuranosyloxy)phenyl]-n'-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
+CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	8LB	(2~{s})-6-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid
+c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=O)c2cccc(c2O)O	8LC	n,n'-octane-1,8-diylbis(2,3-dihydroxybenzamide)
+C(#COC#CO)O	8LD	2,2'-oxydi(ethyn-1-ol)
+CC(C)(C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	8LE	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate
+Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O	8LF	~{n}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide
+c1cc(c(nc1)O)O	8LG	pyridine-2,3-diol
+C[C@H](CO)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	8LH	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{r})-2-methyl-3-oxidanyl-propanoate
+CC(C)CC(=O)C1=N/C(=C(/O)\S)/C(=O)O1	8LI	(4z)-4-[hydroxy(sulfanyl)methylidene]-2-(3-methylbutanoyl)-1,3-oxazol-5(4h)-one
+C1C=CN[C@@H]1C(=O)O	8LJ	(2s)-2,3-dihydro-1h-pyrrole-2-carboxylic acid
+CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)CO)O	8LK	pyrrolo-dc
+CCCCCCOCCOCCNS(=O)(=O)c1cccc2c1cccc2N(C)C	8LL	5-(dimethylamino)-~{n}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide
+CC(C)C(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3)O	8LM	2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-d-galacto-non-2-enoni  c acid
+Cc1c(cn(n1)C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	8LN	5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-n-(3-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine
+CCc1cccc(c1NC(=O)N[C@H](CC(C)C)C(=O)NO)CC	8LO	(2r)-2-[(2,6-diethylphenyl)carbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+c1ccc(cc1)CN2C=C3CN(C(=O)NC3=CC2=O)c4cccc(c4)OCc5ccccc5	8LP	6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1h,3h)-dione
+C[C@@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	8LQ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (3~{s})-3-oxidanylbutanoate
+C(CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O	8LR	2-hydroxyethyl alpha-d-mannopyranoside
+Cc1cc2c(cc1N3CC4=CN(C(=O)CC4=NC3=O)Cc5ccccc5)O[C@H](CC2)c6c(cccn6)F	8LS	6-benzyl-3-[(2r)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2h-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3h,8h)-dione
+c1cc(c(cc1Nc2c3cc(c(cc3ncn2)OCCCN4CCOCC4)NC(=O)[C@H]5CCCN5C(=O)CF)Cl)F	8LU	(2r)-n-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide
+c1cc(cc(c1)C(=O)O)c2ccc(o2)CC3=C(N4C(=NC3=O)S[C@@H](N4)C5CCCCC5)N	8LV	3-(5-{[(2r)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid
+Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5)C3=O)N(C(=O)N2C)C	8LW	2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
+CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3cc(ncn3)Oc4ccc(cc4)OC	8LX	(5s)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
+c1cc(c(cc1Cl)c2cc(ccn2)Nc3ccnc4c3nn(c4)CC5CCNCC5)F	8LY	n-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2h-pyrazolo[4,3-b]pyridin-7-amine
+c1cc2c(cc1[C@@H]3CCC[NH2+]3)OCCO2	8LZ	(2~{s})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium
+[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-]	8M0	bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (vi)
+CC(=O)N(c1ccc(cc1)c2cnn(c2)C)C3CCC(CC3)Nc4ncc5ccccc5n4	8M1	n-[4-(1-methyl-1h-pyrazol-4-yl)phenyl]-n-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide
+c1cscc1C(=[NH2+])N	8M2	[azanyl(thiophen-3-yl)methylidene]azanium
+COc1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O	8M4	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid
+Cn1cc(c2c1cccc2)C(=O)Nc3ccccc3	8M5	1-methyl-n-phenyl-indole-3-carboxamide
+Cc1c(cccn1)NC(=O)CSC2=Nc3c(c4c(s3)CN(CC4)C(=O)C)C(=O)N2Cc5ccco5	8M6	2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{n}-(2-methylpyridin-3-yl)ethanamide
+CCC(CC)C(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	8M7	n-[(2z,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2h-pyran-3-yl]-2-ethylbutanamide
+Cc1c(c(sc1C#N)c2nc[nH]n2)C	8M8	3,4-dimethyl-5-(1~{h}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile
+Cc1cnc(c(c1OC)C)Cn2c3c(cn2)c(nc(n3)N)Cl	8M9	4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
+c1cc(nc(c1)C(=O)Nc2ccc(cc2Nc3ccc(cc3)F)C(=O)O)CC4CCCCC4	8MA	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid
+Cc1ccc(cc1)/C=C/C(=O)O	8MB	(~{e})-3-(4-methylphenyl)prop-2-enoic acid
+COc1ccc2c(c1)OC(=O)C=C2CC(=O)O	8MC	(7-methoxy-2-oxo-2h-chromen-4-yl)acetic acid
+C=C[C@H]1CCC([C@H](C1)O)O	8MD	(1s,2s,4s)-4-ethenylcyclohexane-1,2-diol
+C[C@@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	8ME	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-(pyridin-2-yl)ethyl]propanamide
+c1c(c(cc2c1OCO2)Br)Cn3c4c(cn3)c(nc(n4)N)Cl	8MF	1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine
+Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	8MG	8-methyl-2'-deoxyguanosine-5'-monophosphate
+CCCCCCOCCOCCNC(=O)CCN1C(=O)c2cccc3c2c(ccc3NNN)C1=O	8MH	3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-n-[2-(2-hexoxyethoxy)ethyl]propanamide
+C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2	8MI	n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)glycyl-l-arginine-n-phenylamide
+c1cc2ccc(nc2c(c1)O)C=O	8MJ	8-oxidanylquinoline-2-carbaldehyde
+CC(=O)/C=C/c1ccc(cc1)O	8MK	(~{e})-4-(4-hydroxyphenyl)but-3-en-2-one
+Cc1ncc(c(n1)N)CN2C(SC(C2=C)CCOP(=O)(O)OP(=O)(O)O)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O	8ML	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-2-[(2s,3s,4r,5r)-1,2,3,4,5-pentakis(oxidanyl)-6-phosphonooxy-hexan-2-yl]-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate
+CC(=O)N[C@@H]1CC[C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)CN	8MM	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranoside
+c1cc(ccc1SCC(=O)NN)Cl	8MN	2-(4-chlorophenyl)sulfanylethanehydrazide
+COc1c2c(cco2)cc3c1OC(=O)C=C3	8MO	methoxsalen
+CCCC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O	8MP	n-[(3s,4r,5r,6s)-4,5,6-trihydroxyazepan-3-yl]butanamide
+CC(C(=O)c1c[nH]c2c1cccc2)N3CCCCCC3	8MQ	2-(azepan-1-yl)-1-(1~{h}-indol-3-yl)propan-1-one
+COc1ccc(cc1)S(=O)(=O)[C@H](CC(=O)O)C(F)F	8MR	(3r)-4,4-difluoro-3-[(4-methoxyphenyl)sulfonyl]butanoic acid
+CCCCCCOCCOCCOCCN[C@@H](c1ccc(cc1)NNN)O	8MS	(r)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol
+c1c(c(sc1C(=O)NN)Br)Br	8MT	4,5-bis(bromanyl)thiophene-2-carbohydrazide
+CC(=O)OCc1ccc(o1)C=O	8MV	(5-formylfuran-2-yl)methyl acetate
+Cc1c2c(nc(nc2sc1C(=O)O)C3CC3)C	8MW	2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid
+Cc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O	8MX	1-cyclopropyl-6-fluoro-8-methyl-7-[(4as,7as)-octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(ccc1C#N)Nc2nc(cc(n2)n3ccc(n3)CO)N	8MY	4-({4-amino-6-[3-(hydroxymethyl)-1h-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile
+c1cc2c(cc1c3csc(n3)N)NC(=O)N2	8MZ	5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
+c1cc(c(nc1)Br)O	8N0	2-bromanylpyridin-3-ol
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)Cl	8N1	n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-xylofuranosylamine
+COc1cccc(c1OC)/C=C/C(=O)O	8N2	(~{e})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
+Cc1cccc(c1)CNC(=O)N[C@H](CC(C)C)C(=O)NO	8N3	(2r)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-n-oxidanyl-pentanamide
+c1cc(cc(c1)OC(F)(F)F)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O	8N4	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid
+c1ccc2c(c1)CSC3=C2NNC3=O	8N5	2,5-dihydro-1~{h}-isothiochromeno[4,3-c]pyrazol-3-one
+CCc1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3	8N6	(5s)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
+c1cc(nc(c1)C(=O)Nc2ccc(cc2OC3CCOCC3)c4[nH]nnn4)CC5CCCCC5	8N7	6-(cyclohexylmethyl)-n-{2-[(oxan-4-yl)oxy]-4-(1h-tetrazol-5-yl)phenyl}pyridine-2-carboxamide
+c1c(c(c(s1)C(=O)O)Br)Br	8N8	3,4-bis(bromanyl)thiophene-2-carboxylic acid
+Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\CO)/O)CCOP(=O)(O)OP(=O)(O)O)C	8N9	2-[(2e)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[1,2-bis(oxidanyl)ethylidene]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	8NA	alpha-diphosphopyridine nucleotide
+CC(=O)Nc1ccc(c(c1)Cl)OC	8NB	~{n}-(3-chloranyl-4-methoxy-phenyl)ethanamide
+COc1ccc(cc1F)NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)C	8NC	(3r,4r)-1-methanesulfonyl-pyrrolidine-3,4--dicarboxylic acid 3-[(3-fluoro-4-methoxy-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COCCN)OC(=O)CCCCCCCCCCCCCCC	8ND	(2s)-3-(2-aminoethoxy)propane-1,2-diyl dihexadecanoate
+c1cc(ccc1C(=[NH2+])N)C(F)(F)F	8NE	[azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium
+Cc1cc(ncc1N)C	8NF	5-amino-2,4-dimethylpyridine
+CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)Oc4ccc(cc4F)F	8NG	n-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide
+Cc1c(ccc(c1Cl)C#N)N2C(=O)[C@@H]3[C@@H](CCN3C2=O)O	8NH	2-chloro-4-[(7r,7as)-7-hydroxy-1,3-dioxotetrahydro-1h-pyrrolo[1,2-c]imidazol-2(3h)-yl]-3-methylbenzonitrile
+CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4	8NJ	6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	8NK	7-methylguanosine 5'-diphosphate
+Cc1c(cccc1c2ccccc2)COC(=O)[C@H]3C(C3(C)C)/C=C(\C(F)(F)F)/Cl	8NL	(2-methyl-3-phenyl-phenyl)methyl (1~{s})-3-[(~{e})-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
+CN1C=C(c2cc[nH]c2C1=O)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C	8NM	n-[3-(6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide
+c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)O	8NN	(1-chloro-4-hydroxyisoquinoline-3-carbonyl)-l-tryptophan
+c1ccc(cc1)CCOc2cccc(c2)Nc3ccccc3C(=O)N	8NO	2-[[3-(2-phenylethoxy)phenyl]amino]benzamide
+CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3	8NP	3-methyl-5-(2-phenoxyphenyl)pyridin-2(1h)-one
+c1ccc2c(c1)c(nn2CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(n5)Br)C(=O)N	8NQ	1-[2-[(1~{r},3~{s},5~{r})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide
+CCOC(=O)N1CCN(CC1)C(=O)c2ccc3cc4c(nc3c2)CCCC4	8NR	ethyl 4-(5,6,7,8-tetrahydroacridin-3-ylcarbonyl)piperazine-1-carboxylate
+CCS(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C	8NS	7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one
+C1CSS[C@H]1CCCCC(=O)NCCCS(=O)(=O)O	8NT	3-[5-[(3~{s})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid
+CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F	8NU	3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
+CC(C)S(=O)(=O)c1ccc2c(c1)C3=CN(C(=O)c4c3c(c[nH]4)CN2CC5CC5)C	8NV	7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one
+C1CSS[C@H]1CCCCC(=O)NCCCO	8NW	5-[(3~{s})-1,2-dithiolan-3-yl]-~{n}-(3-oxidanylpropyl)pentanamide
+c12c(nc([nH]1)[N+](=O)[O-])NC(=O)NC2=O	8NX	8-nitro-3,7-dihydro-1h-purine-2,6-dione
+c1cc2c(cc1I)cn[nH]2	8NY	5-iodanyl-1h-indazole
+c1cc2c(cc1Br)c(c[nH]2)C(=O)O	8NZ	5-bromanyl-1~{h}-indole-3-carboxylic acid
+C[C@@]1([C@@H](C[C@H]2[C@@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)Cl)C=C	8O0	hapalindole a
+CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)NCC4CC4	8O1	4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCNC(=O)C2)N	8O3	(r)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)piperazin-2-one
+CN1C=C2c3cc(ccc3N(Cc4c2c([nH]c4)C1=O)CC5CC5)CS(=O)(=O)C	8O4	7-(cyclopropylmethyl)-2-methyl-10-[(methylsulfonyl)methyl]-2,4,6,7-tetrahydro-3h-2,4,7-triazadibenzo[cd,f]azulen-3-one
+c1ccc(cc1)CNC(=O)[C@@H]([C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H](CC3CC3)NC(=O)/C=C/c4ccccc4)O	8O5	(2~{r},3~{s})-3-[[(2~{s})-3-cyclopropyl-2-[[(~{e})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-~{n}-(phenylmethyl)butanamide
+c1cc(ccc1CSC2=NC3=C(CCC3)C(=O)N2)c4ccc(cc4)S(=O)(=O)NCCN	8O7	n-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonami de
+CN(Cc1cccc2c1ccnc2)C(=O)c3ccccc3[C@H]4CCNC4	8O8	~{n}-(isoquinolin-5-ylmethyl)-~{n}-methyl-2-[(3~{r})-pyrrolidin-3-yl]benzamide
+CC(C)[C@H](C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3	8OA	(r)-n-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide
+c1cc(ccc1O)Oc2c(cc(cn2)Cl)Cl	8OB	4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N	8OD	[(2r,3s,4r,5r)-5-(6-azanyl-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
+c1cc(ccc1N)Oc2c(cc(cn2)Cl)Cl	8OE	4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline
+COc1ccc(cc1)Nc2ccnc3c2cccc3	8OF	n-(4-methoxyphenyl)quinolin-4-amine
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O	8OG	8-oxo-2'-deoxy-guanosine-5'-monophosphate
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cccs4)N	8OH	2-phenyl-~{n}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine
+CC(C)[C@@H](C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3	8OJ	(s)-n-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide
+c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccc(cc4)N5CCOCC5)N	8OK	2-(4-morpholin-4-ylphenyl)-~{n}4-(2-phenylethyl)quinazoline-4,7-diamine
+CC(C)(C)OC[C@H]1C(=O)NCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N	8OL	(s)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one
+CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3	8OM	(s)-3-methyl-2-(4'-(((4-oxo-4,5,6,7-tetrahydro-3h-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-ylsulfonamido)butanoic acid
+CC(=O)N1CCN(CC1)c2ccc(cc2)c3nc4cc(ccc4c(n3)NCCc5ccccc5)N	8ON	1-[4-[4-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]piperazin-1-yl]ethanone
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	8OP	[(2r,3s,4r,5r)-5-(6-azanyl-8-oxo-7h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H]1[C@]([C@H]([C@H](O1)O)O)(C(=O)O)O	8OQ	alpha-d-aceric acid
+CS(=O)(=O)c1ccc(cc1)Nc2c3c(nc(n2)N[C@H]4CCCC[C@@H]4N)C=CNC3=O	8OR	2-[[(1s,2s)-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6h-pyrido[4,3-d]pyrimidin-5-one
+Cc1c([nH]cn1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	8OS	5'-o-[(s)-hydroxy(4-methyl-1h-imidazol-5-yl)phosphoryl]guanosine
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NCCc4cccs4)N	8OT	2-phenyl-~{n}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine
+Cn1c2ccc(cc2cn1)Nc3c4c(nc(n3)N5CCC(CC5)O)CC=NC4=O	8OU	4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8h-pyrido[4,3-d]pyrimidin-5-one
+CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C(=O)C)C(F)(F)F	8OV	n-(3-{[2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]amino}phenyl)propanamide
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4ccc(cc4)F)N	8OW	~{n}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	8OX	6-azanyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7h-purin-8-one
+c1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O	8OY	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-(phenylamino)benzoic acid
+C=C(c1ccccc1)C(=O)O	8OZ	2-phenylacrylic acid
+c1cc2ccc3cccc4c3c2c(c1)cc4	8P0	pyrene
+c1cc2c(cc1N)CCCC2=O	8P1	6-azanyl-3,4-dihydro-2~{h}-naphthalen-1-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1O2)O)O)O)[N+]#N	8P2	[(1~{r},2~{r},3~{r},4~{s},5~{r},6~{s})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium
+c1ccc2c(c1)CC(=O)N2Cc3ccccc3C(=O)O	8P3	2-[(2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoic acid
+c1cc(ccc1NC(=S)N)F	8P4	1-(4-fluorophenyl)thiourea
+C(CCN=[N+]=N)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	8P5	azanylidene-[4-[[(1~{s},2~{r},3~{r},4~{r},5~{s},6~{s},7~{s})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-bicyclo[4.1.0]heptanyl]carbonylamino]butylimino]azanium
+C[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)C=C	8P6	hapalindole u
+Cc1[nH]c2ccccc2n1	8P7	2-methyl-1~{h}-benzimidazole
+[C+2]12345[Fe]6[S-]7[Fe]18S[Fe]29[S-]1[Fe]3[S-]2[Fe]1[S-]9[Fe]42S[Fe]51[S-]6[V]7[S-]81	8P8	c fe7 s8 v
+Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Cl	8P9	5-chloranyl-2-methoxy-n-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](\C=C\c3cccnc3)O)CCO[P@](=O)(O)OP(=O)(O)O	8PA	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1s,2e)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium
+c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	8PC	2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC	8PE	(2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate
+C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	8PF	pentadecafluorooctanoic acid
+CCCCC[C@@H](\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)O)O	8PG	(8s,12s)-15s-hydroxy-9-oxoprosta-10z,13e-dien-1-oic acid
+CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-]	8PH	hydrogen [(1r)-2-(3-decyl-1h-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate
+c1cc(c(nc1)O)[N+](=O)[O-]	8PJ	3-nitropyridin-2-ol
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OC)O)O[C@H](C)O	8PK	4-o-[(1r)-1-hydroxyethyl]-2-o-methyl-alpha-l-fucopyranose
+C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)F)C(=O)O	8PL	(2r)-2-(4-fluorophenyl)-2-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid
+CCCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1nsn2)N(C)C	8PM	n~2~-{[7-(dimethylamino)-2,1,3-benzothiadiazol-4-yl]sulfonyl}-n-hexyl-n~2~-methylglycinamide
+C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)O)C(=O)O	8PO	(2r)-2-(4-hydroxyphenyl)-2-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid
+CC(=CCCC(=CCC/C(=C/CC/C(=C/CCC(=CCC/C(=C/CCC(=CCCC(=CCc1ccccc1O)C)C)/C)C)/C)/C)C)C	8PP	2-[(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]phenol
+Cc1c(c(n[nH]1)C)Br	8PQ	4-bromanyl-3,5-dimethyl-1~{h}-pyrazole
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F	8PR	paroxetine
+CCCCCCCCc1ccc(c(c1)O)Oc2ccccc2	8PS	5-octyl-2-phenoxyphenol
+Cc1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)[nH]cn3)N5CCOCC5	8PT	~{n}6-cyclohexyl-~{n}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{h}-purine-2,6-diamine
+Cc1c2cc(c(cc2on1)O)NS(=O)(=O)c3cc(ccc3OC)Br	8PU	5-bromanyl-2-methoxy-n-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide
+c1ccc(cc1)CNC(=O)c2cccc(c2)NCc3[nH]c(nn3)c4ccncc4	8PV	n-benzyl-3-({[5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)benzamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C)S(=O)(=O)c4ccc(cc4C(F)(F)F)OCC(F)(F)F	8PW	(2s,4r)-n-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
+Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Br	8PX	5-bromanyl-2-methoxy-n-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide
+CC(=O)N(c1cc2ccc3cccc4c3c2c(c1)cc4)c5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N	8PY	[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	8PZ	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(3~{s})-3-azanyl-3-phenyl-propanoyl]sulfamate
+CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	8Q1	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate
+C#CCOc1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	8Q2	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(3~{s})-3-azanyl-3-(4-prop-2-ynoxyphenyl)propanoyl]sulfamate
+Cc1cc2c(cc1NS(=O)(=O)c3cc(ccc3OC)Br)c(no2)C	8Q3	5-bromanyl-n-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OC(=O)O)Cl	8Q4	2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate
+CC(C)CNc1c2ncc(n2ccn1)c3ccc(cc3)C(=O)NC4CC4	8Q5	~{n}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
+CCOc1ccc(cc1Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C(=O)C	8Q6	dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate
+COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)C(=O)[C@@H]5CC5(F)F)-c6ncnn6C2=O	8Q7	9-[(1s)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6h)-one
+CC(C)([C@@H](C(=O)NO)N[C@@H]1CCc2c1ccc(c2)C#Cc3ccc(cc3)Cn4ccnc4CO)N	8Q8	(2~{s})-3-azanyl-2-[[(1~{r})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{h}-inden-1-yl]amino]-3-methyl-~{n}-oxidanyl-butanamide
+Cc1c2cc(c(cc2on1)OCC(=O)NCCN3CCOCC3)NS(=O)(=O)c4cc(ccc4OC)Br	8Q9	2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-n-(2-morpholin-4-ylethyl)ethanamide
+c1cnc(nc1c2cc3n(c2)CCNC3=O)NC4CCOCC4	8QB	7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{h}-pyrrolo[1,2-a]pyrazin-1-one
+Cc1c2cc(c(cc2on1)NC)NS(=O)(=O)c3cc(ccc3OC)Br	8QC	5-bromanyl-2-methoxy-n-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide
+C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O	8QD	(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol
+CC(C)(C)Nc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N	8QE	4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide
+C[C@H](CCCC(C)(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(C[C@@H]([C@H](C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C	8QF	[(2~{s},3~{s},5~{s},6~{s},8~{s},9~{s},10~{r},13~{r},14~{r},17~{r})-17-[(2~{r})-6,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate
+c1cc(sc1c2c[nH]nc2)Cl	8QG	4-(5-chlorothiophen-2-yl)-1h-pyrazole
+Cc1ccc(cc1)N/C=C\2/c3c(c4cc(c(c(c4o3)Cl)Cl)O)CCC2=O	8QH	(4~{z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
+c1nc2c(n1C[C@@H](COCP(=O)(O)O)OC[C@@H](O)P(=O)(O)O)N=C(NC2=O)N	8QI	({(2s)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2-[(2s)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid
+C[N](C)(C)[C@@H](Cc1c[nH]c(n1)SO)C(=O)O	8QJ	(2~{s})-3-(2-oxidanylsulfanyl-1~{h}-imidazol-4-yl)-2-(trimethyl-$l^{4}-azanyl)propanoic acid
+COc1ccc(cc1)/N=C/c2c(ccc3c2oc4c3c(c(c(c4)Cl)O)Cl)O	8QK	1,3-bis(chloranyl)-6-[(~{e})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol
+C[C@@]12CCC[C@@H]1[C@@H]3C[C@@H](C4=C[C@H](CC[C@@]4([C@H]3CC2)C)O)O	8QL	(3s,6s,8s,9s,10r,13s,14r)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6-diol
+c1cc(ccc1C2CC2)C(=O)O	8QM	4-cyclopropylbenzoic acid
+C[C@H]([C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O	8QN	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{s},3~{r})-2-azanyl-3-oxidanyl-butanoate
+C[C@@H]1CN=C(N1)c2ccc(cc2O)OC	8QO	5-methoxy-2-[(5r)-5-methyl-4,5-dihydro-1h-imidazol-2-yl]phenol
+CCc1cccc2c1[nH]c3c2CCO[C@@]3(CC)CC(=O)O	8QP	[(1s)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
+Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)C[C@H](c4ccccc4)C(F)(F)F)O)c5ccc(cc5)CN	8QQ	3-[4-(aminomethyl)phenyl]-2-methyl-6-[[4-oxidanyl-1-[(3~{r})-4,4,4-tris(fluoranyl)-3-phenyl-butanoyl]piperidin-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-one
+CCc1cccc2c1[nH]c3c2CCO[C@]3(CC)CC(=O)O	8QS	[(1r)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
+CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3	8QT	(2~{r},3~{s})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
+CC#Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)C6=CCOCC6	8QV	(5s)-3-(3,6-dihydro-2h-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'h-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
+C[C@H](c1ccc(cc1)F)C(=O)Nc2ccc(cc2)c3ccc4nc(nn4c3)Nc5ccc(cc5OC)S(=O)(=O)C	8QW	(2~{r})-2-(4-fluorophenyl)-~{n}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
+CC1=Nc2ccc(nc2C(=O)N1C[C@H]3CCCN(C3)C(C)C)Oc4ccc(cc4F)Br	8QX	6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{s})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
+C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc2ccc(cc2)O)N(C)C	8QY	n-[(2s)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-n'-[(2s)-1-(thiophen-3-yl)propan-2-yl]urea
+CCc1c(c(n(n1)CCOCCOCCOC)CC)NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C(=O)COC	8QZ	~{n}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
+CN1[C@@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3	8R0	(3r)-4-methyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
+c1cc(ccc1NC(=O)[C@H](CO)N)Oc2ccc3c(c2)c(c([nH]3)N)C#N	8R2	(2s)-2-amino-n-[4-[(2-amino-3-cyano-1h-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide
+CN(C)/N=C\1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)C(=O)O	8R3	3-[2-[(3z,6r)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid
+c1ccc(cc1)c2cc3c(coc3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O	8R4	2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid
+C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O	8R5	3-[5-chloranyl-6-[(1~{r})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid
+CC1=C(C(=O)Oc2c1ccc(c2)N=[N+]=[N-])CC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O	8R6	(2s)-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid
+COc1ccc2c(ccnc2c1)c3ccc(c(c3)C4CCCC4)C(=O)O	8R7	2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid
+C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)N(C(=O)O3)CCC(=O)O	8R8	3-[5-chloranyl-2-oxidanylidene-6-[(1~{r})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid
+CC(=O)N1CCN(CC1)c2ccccn2	8RA	1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
+Cc1ccc(nn1)[C@@H](C)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O	8RB	3-[5-chloranyl-6-[(1~{r})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
+CCc1c(nc(c(n1)C(=O)N)Nc2ccc(cc2)N3CCC(CC3)N4CCN(CC4)C)O[C@@H]5CCN(C5)C(=O)C=C	8RC	6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3r)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide
+Cc1c(c(nn1C)C(=O)N2CCOCC2)CCOc3cc(ccc3c4ccc5nnc(n5c4)CNC)F	8RD	{4-[2-(5-fluoro-2-{3-[(methylamino)methyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}phenoxy)ethyl]-1,5-dimethyl-1h-pyrazol-3-yl}(morpholin-4-yl)methanone
+C(CN)[C@@H]([C@@H]([C@@H](C(=O)O)N)O)O	8RE	3,4-dihydroxylysine
+Cc1cc(ccc1C(=O)NC2CC2)c3cnc4n3nc(cc4NCCC(F)(F)F)Oc5ccc(c(c5F)F)OC	8RH	bay 1217389
+CN(C)[C@@H](Cc1ccc(cc1)O)CNC(=O)/C=C/c2cccc3c2cccc3	8RI	(2e)-n-[(2s)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide
+CC1=CN(C(=O)NC1=O)C[C@H](COP(=O)(O)O)O	8RJ	(r)-1'-(2',3'-dihydroxypropyl)-thymine
+Cc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O	8RK	3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid
+CNC(=O)c1cc2ccccc2nc1	8RM	n-methylquinoline-3-carboxamide
+C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3c(csc3C2=O)Br)O)c4ccccc4	8RN	7-bromanyl-3-[[4-oxidanyl-1-[(3~{r})-3-phenylbutanoyl]piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
+CC1=C2N(S2)C(=O)N(C1)[C@H]3C[C@@H]([C@H](O3)COP(O)O)O	8RO	[(2~{r},3~{s},5~{r})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
+CC(=O)N1CCc2cc(c(cc2C1)OC)OC	8RP	1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)ethan-1-one
+C/C(=C(\CCCN(CC1CCCCC1)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4)/C=N/C)/O	8RQ	~{n}4-[(4-chlorophenyl)methyl]-~{n}1-(cyclohexylmethyl)-~{n}4-cyclopentyl-~{n}1-[(~{z})-4-[(~{e})-methyliminomethyl]-5-oxidanyl-hex-4-enyl]benzene-1,4-disulfonamide
+Cc1cc(ccc1OCC(=O)O)SCc2c(nc([se]2)c3ccc(cc3)C(F)(F)F)C	8RR	2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid
+CC(=O)N1CCN(CC1)c2ccccc2	8RS	1-(4-phenylpiperazin-1-yl)ethan-1-one
+Cn1cc(c2c1cccc2)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F	8RT	(2~{s})-~{n}1-(1-methylindol-3-yl)-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
+CCc1ccc(c(c1)O)O	8RU	4-ethylbenzene-1,2-diol
+CC(=O)NC1CCN(CC1)Cc2ccccc2	8RV	n-(1-benzylpiperidin-4-yl)acetamide
+c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F	8RW	(2~{s})-~{n}1-(1-aminocarbonylindol-3-yl)-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
+CNC(=O)c1ncccn1	8RY	n-methylpyrimidine-2-carboxamide
+c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(c5)OC(F)(F)F	8RZ	(1~{r},3~{s},5~{r})-~{n}2-(1-aminocarbonylindol-3-yl)-~{n}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
+C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O	8S0	l-glucono-1,5-lactone
+c1ccc(c(c1)n2c(c(cn2)C#N)N)Cl	8S1	5-amino-1-(2-chlorophenyl)-1h-pyrazole-4-carbonitrile
+c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)N	8S2	(2~{s},4~{s})-~{n}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
+Cc1c(c(on1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)O)Cl	8S3	2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid
+COc1ccc(cc1)Cn2cnnn2	8S4	1-[(4-methoxyphenyl)methyl]-1h-tetrazole
+c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)F	8S5	(2~{s},4~{r})-~{n}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{n}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
+C[C@H](CC(=O)O)NC(=O)C(=O)O	8S6	(3r)-3-(oxaloamino)butanoic acid
+Cc1cc(on1)NC(=O)C2CC2	8S7	n-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide
+C[C@@H]1C=C[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4)C(=O)O	8S8	(3~{s},6~{s},7~{r},9~{a}~{r})-6-[[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonylamino]-7-methyl-5-oxidanylidene-1,2,3,6,7,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid
+c1ccc(cc1)c2c(nc(o2)c3cccc(c3)C(=O)O)c4ccc(c(c4)Cl)Cl	8S9	3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid
+Cc1cc(no1)NCc2cccs2	8SA	5-methyl-n-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CC[C@@H]3[C@@H]2C(=O)N4[C@@H](CC[C@@H]4C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6)C=C3	8SB	(3~{s},7~{r},10~{r},13~{s})-4-[[(3~{r},7~{s},10~{s},13~{r})-4-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+c1cc2c(cc1O)CC(=O)N2	8SD	5-hydroxy-1,3-dihydro-2h-indol-2-one
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CC[C@H]3[C@H]2C(=O)N4[C@H](CC[C@H]4C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6)C=C3	8SE	(3~{s},7~{r},10~{r},13~{s})-4-[[(3~{s},7~{r},10~{r},13~{s})-4-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+CC(C)Sc1nnnn1c2ccccc2	8SF	1-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole
+Cc1cc(on1)NC(=O)c2ccco2	8SG	n-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide
+CCOP(=O)([C@H](CCCc1ccccc1)CS)OCC	8SH	(2~{r})-2-diethoxyphosphoryl-5-phenyl-pentane-1-thiol
+[H]/N=C(\N)/SCc1ccc(cc1)[N+](=O)[O-]	8SJ	(4-nitrophenyl)methyl carbamimidothioate
+c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O	8SK	benzo[a]pyren-3-ol
+CC(C)Cc1nnc(n1Cc2ccccc2)SCc3ccc(cc3)OC	8SL	3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methylpropyl)-4-(phenylmethyl)-1,2,4-triazole
+Cn1cc(c(n1)n2cccc2)c3ccccn3	8SM	2-[1-methyl-3-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]pyridine
+C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C(=O)O	8SN	(3~{s},7~{r},10~{r},11~{r},13~{s})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)CCNS(=O)(=O)C	8SO	n-[(2r)-2-[4-[4-[2-(methylsulfonylamino)ethyl]phenyl]phenyl]propyl]propane-2-sulfonamide
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC	8SP	o-[(r)-{[(2r)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine
+c1ccc2c(c1)cccc2CCC(=O)NO	8SQ	3-naphthalen-1-yl-~{n}-oxidanyl-propanamide
+Cc1cc(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F	8SR	2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+c1cc(ccc1c2c[nH]nc2N)Br	8SS	4-(4-bromophenyl)-1h-pyrazol-3-amine
+c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)NCc3ccncc3	8ST	n-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
+CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O	8SU	(~{z})-7-[(1~{r},5~{s})-2-oxidanylidene-5-[(~{e},3~{s})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid
+CNc1cc2c(cc1[N+](=O)[O-])N(C(=O)N2C)C	8SV	1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2h-benzimidazol-2-one
+C#CCNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O	8SW	~{n}-[2-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide
+C[C@@]12CCC(=O)OC([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C	8SX	preaustinoid a1
+CN1c2ccc(cc2CCC1=O)N	8SY	6-amino-1-methyl-3,4-dihydroquinolin-2(1h)-one
+C(CCN)C[C@@H](C(=O)NO)N	8SZ	(2~{s})-2,6-bis(azanyl)-~{n}-oxidanyl-hexanamide
+C[C@]12CC[C@H]3[C@]([C@@H]1C[C@@]4(C(=C)[C@]2(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)(C=CC(=O)OC3(C)C)C	8T0	preaustinoid a2
+CN1c2ccc(cc2C=CC1=O)N	8T1	6-amino-1-methylquinolin-2(1h)-one
+c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)NCCCCNC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O	8T2	~{n}-[(5~{s})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide
+C[C@]1(C[C@@H]2C[C@@H]2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)Cl	8T3	n-[3-[(1s,3s,6s)-5-azanyl-3-methyl-4-azabicyclo[4.1.0]hept-4-en-3-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carbox amide
+Cn1c(c(cn1)c2ccccc2)n3cccc3	8T4	1-methyl-4-phenyl-5-(1h-pyrrol-1-yl)-1h-pyrazole
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CCC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6	8T5	(1~{s},4~{s},7~{r},10~{r})-14-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-3,14-diazatricyclo[8.4.0.0^{3,7}]tetradec-8-ene-4-carboxylic acid
+Cn1c(c(c(n1)C(F)(F)F)c2ccccc2)N	8T7	1-methyl-4-phenyl-3-(trifluoromethyl)-1h-pyrazol-5-amine
+c1cc(ccc1CN[C@H]2CCCc3c2[nH]c4c3ccc(c4)OC(F)(F)F)Br	8T8	(1~{s})-~{n}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{h}-carbazol-1-amine
+CC1=C2C[C@@]3(C(=C)[C@]([C@]2(CC[C@@]14C=CC(=O)OC4(C)C)C)(C(=O)[C@@](C3=O)(C)O)C(=O)OC)C	8T9	preaustinoid a3
+c1ccnc(c1)c2cn[nH]c2n3cccc3	8TA	2-[5-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]pyridine
+C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)O	8TB	(3~{s},7~{r},10~{r},11~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+C[C@@]12CC[C@H](C([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C)O	8TC	berkeleyone a
+CN1c2ccc(cc2N(C1=O)C)N	8TD	5-amino-1,3-dimethyl-1,3-dihydro-2h-benzimidazol-2-one
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)O)CP(=O)(O)O	8TE	p-methylphosphonatocalix[4]arene
+CN1c2cc(c(cc2C=CC1=O)[N+](=O)[O-])Br	8TG	7-bromo-1-methyl-6-nitroquinolin-2(1h)-one
+CCCC12C3([Ir]1456(C3(C4(C52C)C)C)(N(CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)Cl)C	8TH	chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappan]methyl}azanide-kappan][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium
+CNC(=O)c1cc2cccnc2s1	8TJ	n-methylthieno[2,3-b]pyridine-2-carboxamide
+CC1=CSC2=CC(=C(C(=O)N12)c3ccccc3)[C@H](C)Nc4c(c(ncn4)N)C#N	8TK	4-azanyl-6-[[(1~{s})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile
+CC[C@@H]1C(=O)N2[C@H](CN(C(=O)[C@@H]2CCSC)CCC(C)C)N(O1)C(=O)OC(C)C	8TL	propan-2-yl (3r,6s,9as)-3-ethyl-8-(3-methylbutyl)-6-(2-methylsulfanylethyl)-4,7-bis(oxidanylidene)-9,9a-dihydro-6h-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylate
+c1ccc2c(c1)c(ncn2)Nc3ccc(cc3)SC(F)(F)F	8TM	n-[4-(trifluoromethylsulfanyl)phenyl]quinazolin-4-amine
+CC1=CSC2=CC(=C(C(=O)N12)c3cccc(c3)CN(C)C)[C@H](C)Nc4c(c(ncn4)N)C#N	8TN	4-azanyl-6-[[(1~{s})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
+C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCCN(C)C)C)C)OC)OC(=O)N)C)C)O)OC	8TO	(4e,6e,8s,9r,10e,12r,13r,14s,16r)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
+CC(=O)NCCNc1ccccc1	8TP	n-[2-(phenylamino)ethyl]acetamide
+C1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C=O	8TQ	(3~{s},7~{r},10~{r},13~{s})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carbaldehyde
+OCl	8TR	hypochlorous acid
+CC(=O)N1CCN(CC1)c2ccc(cn2)C#N	8TS	6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile
+CCC[C@@H](CC(C)(O)O)[C@H](C[C@@H](CCCCC(=O)O)O)CO	8TU	(6r,8s,9s)-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid
+CC(=O)N1CCN(CC1)c2ccncc2	8TV	1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one
+C1=S[C@H]2[C@@H]([C@@H]1C(=O)O)C(C2(Cl)Cl)(O)O	8TW	(1~{s},4~{r},5~{s})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid
+C12=C(NC(=O)NC1=O)NC(=S)N2	8TX	8-thioxo-3,7,8,9-tetrahydro-1h-purine-2,6-dione
+CC(=O)N1CCN(CC1)S(=O)(=O)C	8TY	1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one
+CCCc1cc(ccc1[C@@H](c2[nH]ccn2)O)F	8TZ	(~{s})-(4-fluoranyl-2-propyl-phenyl)-(1~{h}-imidazol-2-yl)methanol
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Oc3ccc4ccccc4c3	8U0	n-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide
+CC(=O)NCc1ccc(cc1)OC	8U1	n-[(4-methoxyphenyl)methyl]acetamide
+COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCCCC3CC4Cc5c(c(c6ccc(cc6n5)Cl)N)C(C4)C3	8U2	2-{1-[4-(12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1h-1,2,3-triazol-4-yl}-n-[4-hydroxy-3-methoxybenzyl]acetamide
+CS(=O)(=O)Nc1ccc(c(c1)F)F	8U3	n-[3,4-bis(fluoranyl)phenyl]methanesulfonamide
+CC(=O)NCc1cccc(c1)Cl	8U4	n-[(3-chlorophenyl)methyl]acetamide
+CC1C[C@@H]2CC(C1)Cc3c2c(c4ccc(cc4n3)Cl)NCCCCCCCCCC(=O)NCc5ccc(c(c5)OC)O	8U5	e)-10-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)-6-decenamide
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc4ccccc4c3	8U6	n-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide
+CNC(=O)NC1CCN(CC1)Cc2ccccc2	8U7	n-(1-benzylpiperidin-4-yl)-n'-methylurea
+CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)O)O)O)O	8U8	(2~{r},3~{s},4~{s},5~{r},6~{s})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
+c1cc(ccc1C(=O)O)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc(c(c3)C(F)(F)F)Cl	8U9	4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid
+CC(=O)NCc1ccccn1	8UA	n-[(pyridin-2-yl)methyl]acetamide
+c1ccc2c(c1)NC(=O)C(=N2)C=Cc3cccs3	8UB	3-(2-thiophen-2-ylethenyl)-1~{h}-quinoxalin-2-one
+Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)c5ccncc5)C#N)N	8UC	(3~{s})-6'-azanyl-7-fluoranyl-2,2,3'-trimethyl-5-pyridin-4-yl-spiro[1~{h}-indene-3,4'-2~{h}-pyrano[2,3-c]pyrazole]-5'-carbonitrile
+CNC(=O)c1cccnc1N	8UD	2-amino-n-methylpyridine-3-carboxamide
+CC1=C[C@@H]2C[C@H](C1)Cc3c2c(c4ccc(cc4n3)Cl)NCc5ccc(cc5)CC(=O)NCc6ccc(c(c6)OC)O	8UE	 4-{[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-n-(4-hydroxy-3-methoxybenzyl)benzamide
+Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)N5CCC(CC5)CC(=O)O)C#N)N	8UF	2-[1-[(3~{s})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{h}-indene-3,4'-2~{h}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid
+CCOC(=O)[C@H]1CCc2c(c[nH]n2)C1	8UG	ethyl (5s)-4,5,6,7-tetrahydro-2h-indazole-5-carboxylate
+CC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1	8UH	6-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)hexanamide
+CS(=O)(=O)NC[C@@H]1CC(=O)N(C1)C2CCCC2	8UJ	n-{[(3r)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide
+CC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1	8UK	 7-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)heptanamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)C(=O)O)C(C)C)C#N)N	8UL	1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidine-4-carboxylic acid
+CC[C@]1(CC(=CNC1=O)c2ccc(s2)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O)C	8UM	5-[(5s)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-n-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide
+C[C@@H](C1CCCCC1)n2c3ccc(cc3nc2c4cc5c(cc4Br)OCO5)C(=O)Nc6ccc(cc6)C#N	8UN	2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{n}-(4-cyanophenyl)-1-[(1~{s})-1-cyclohexylethyl]benzimidazole-5-carboxamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CC(=O)O)C(C)C)C#N)N	8UO	2-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid
+[H]/N=C(/c1ccc2ccc(c(c2c1)OCCCBr)OC)\N	8UP	8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide
+CC1C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1	8UQ	8-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-n-(4-hydroxy-3-methoxybenzyl)octanamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)N4CCC(CC4)CC(=O)O)C(F)(F)F)C(C)C)C#N)N	8UR	2-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]ethanoic acid
+c1cc(sc1N2CC[C@H](C2)O)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O	8US	n-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3r)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)N4CCC(CC4)CCC(=O)O)C(F)(F)F)C(C)C)C#N)N	8UU	3-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid
+COc1cccc(c1)CC(=O)Nc2nc(cs2)c3ccnc(c3)N	8UV	n-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
+C[C@@H](C(=O)O)N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(=O)O)C(=O)O	8UX	(2~{s})-4-[[(2~{r})-3-(1~{h}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{s})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
+c1cc(n2c(c1)ncn2)c3ccc(cc3)C#N	8UY	4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)O)N	8UZ	tc007
+c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)CCN	8V0	(2~{s})-2-(3-azanylpropanoylamino)-3-(1~{h}-imidazol-4-yl)propanoic acid
+Cn1cc(c2c1ccc(c2)Oc3ccc(cc3)NC(=O)[C@@H]4CCCN4)c5cnn(c5)C	8V1	(2s)-n-[4-[1-methyl-3-(1-methylpyrazol-4-yl)indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)OC)C=C6	8V2	methyl (3~{s},7~{r},10~{r},13~{r})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylid ene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3, 7}]tridec-8-ene-13-carboxylate
+Cn1cncc1C[C@@H](C(=O)O)NC(=O)CCN	8V3	(2~{s})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
+CCn1cc(cn1)NC(=O)c2ccoc2	8V4	n-(1-ethyl-1h-pyrazol-4-yl)furan-3-carboxamide
+c1cc(sc1c2cnc(o2)C(=O)N3CCOCC3)S(=O)(=O)N	8V5	5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
+Cc1ccc(cc1)C#CCO[C@H]2CC([C@](C(=C2)C)(/C=C/C(=C\C(=O)O)/C)O)(C)C	8V6	(2z,4e)-3-methyl-5-[(1s,4s)-2,6,6-trimethyl-4-[3-(4-methylphenyl)prop-2-ynoxy]-1-oxidanyl-cyclohex-2-en-1-yl]penta-2,4-dienoic acid
+CC(C)n1cnnc1c2nc(cs2)C(=O)Nc3ccccn3	8V7	2-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]-n-(pyridin-2-yl)-1,3-thiazole-4-carboxamide
+Cc1ncc(o1)c2ccc(cc2)S(=O)(=O)N	8V8	4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccc(cc3)O)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	8V9	(4r)-3-[(2s,3s)-3-[[(2r)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+c1cc(cc(c1)NC(=O)c2ccc(s2)C(=O)c3cccc(c3)I)CC(C(=O)O)C(=O)O	8VB	2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid
+Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C)N(C)CCN(C)C	8VC	(4r)-3-[(2s,3s)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+c1c(ncnc1NC2CCNCC2)C(F)(F)F	8VD	n-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
+CN1[C@H]2CN[C@@H]([C@H]2C(=N1)C(=O)O)C(=O)O	8VE	(3~{a}~{r},4~{s},6~{a}~{r})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{h}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid
+CCN(CCN)c1cc(c(c(c1)C)OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C	8VF	(4r)-3-[(2s,3s)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+Cc1cccc(c1)C	8VH	1,3-dimethylbenzene
+CCN(c1cc2c(cc1N3CCNC[C@H]3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC	8VI	n-[1,3-dimethyl-6-[(2r)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-n-ethyl-2-methoxy-benzamide
+CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N	8VJ	7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
+CC[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)OCC	8VK	ethyl (3~{s},7~{r},10~{r},11~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate
+C[C@H](c1ccc(c2c1cccc2)Br)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N	8VL	4-[2-[[(2r)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid
+CCC(CC)(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)c2cc(c(s2)C(=O)Nc3[nH]nnn3)C	8VM	5-(3-{4-[(2s)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-3-methyl-n-(1h-tetrazol-5-yl)thiophene-2-carboxamide
+C1[C@H]2[C@@H]([C@H](N1)C(=O)O)C(=NO2)C(=O)O	8VN	(3~{a}~{s},4~{s},6~{a}~{r})-4,5,6,6~{a}-tetrahydro-3~{a}~{h}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccc(cc3)N)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	8VO	(4r)-3-[(2s,3s)-3-[[(2r)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O	8VR	(2r,4ar,6r,7r,8r,8ar)-2-methyl-6,7,8-tris(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
+CNC(=O)[C@H](Cc1cccc(c1)Br)NC(=O)[C@H](Cc2ccc(cc2)C(=O)N)NC(=O)[C@@H](c3ccccc3)C4CCCCC4	8VS	4-carbamoyl-n-[(2r)-2-cyclohexyl-2-phenylacetyl]-l-phenylalanyl-3-bromo-n-methyl-l-phenylalaninamide
+CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cccc(c3)OC)O)O)NC(=O)c4cccc(c4)OC	8VT	~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-2-acetamido-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide
+CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N	8VU	(r)-4-((r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one
+C[N](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)N)C(=O)O	8VV	(2~{s})-3-[2-[(2~{r})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfinyl-1~{h}-imidazol-4-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid
+CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)NC(=O)c3cccc(c3)OC	8VW	~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-2-acetamido-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide
+CN(C)/N=C\1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)S(=O)(=O)C	8VX	(r)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-n-(3-(methylsulfonyl)phenyl)acetamide
+c1cc(cc(c1)CBr)CBr	8VY	1,3-bis(bromomethyl)benzene
+CCCOC(=O)N1CCN([C@H](C1)C)C(=O)c2ccc3cc4c(nc3c2)C[C@@H](CC4)CN	8W0	propyl (3~{s})-4-[[(6~{r})-6-(aminomethyl)-5,6,7,8-tetrahydroacridin-3-yl]carbonyl]-3-methyl-piperazine-1-carboxylate
+CC1=Cn2cc(cc2C(=O)N1)C(F)(F)F	8W1	(5s)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2h)-one
+c1ccc2c(c1)C(=O)NC(=N2)NCCCNCc3cc4c([nH]3)cc(cc4Cl)Cl	8W2	2-[3-[[4,6-bis(chloranyl)-1~{h}-indol-2-yl]methylamino]propylamino]-3~{h}-quinazolin-4-one
+CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N2C/C(=N/Oc3ccccc3)/NC[C@H](C2=O)Cc4cc(ccc4OC)Cl	8W3	2-amino-4-((r)-1-((r,z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid
+CCc1cn2c3c1cc(cc3N(S(=O)(=O)C(C2)(C)C)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H]([C@H]5C(=O)N(CCN5)Cc6ccccc6)O	8W4	n-{(1s,2s)-1-[(2s)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide
+CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C	8W5	(1~{s},2~{s},4~{r},6~{r},8~{s},9~{s},11~{s},12~{s},13~{r})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one
+CC[C@H](c1ccc(cc1)C(=O)O)NC(=O)N2C/C(=N/OCC)/NC[C@H](C2=O)Cc3cc(ccc3OC)Cl	8W6	4-((r)-1-((r,z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid
+c1cc2c(c(c1)OCc3ccc(cc3)CN4CCOCC4)CN(C2=O)[C@H]5CCC(=O)NC5=O	8W7	(3s)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2h-isoindol-2-yl]piperidine-2,6-dione
+C[C@@H]([C@@H](c1cccc(c1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F	8W8	2,2,2-tris(fluoranyl)-~{n}-[(1~{r},2~{s})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide
+CN1c2ccc(cc2N(C1=O)C)CN	8W9	5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one
+CN(CCN[C@@H]1CCNc2c1cc(cc2Cl)Cl)c3[nH]c4ccc(nc4n3)Cl	8WA	n~1~-(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)-n~2~-[(4r)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-n~1~-methylethane-1,2-diamine
+COc1ccc(c(c1OC)OC)C2=CC=C(C(=O)C=C2)OC	8WB	2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
+Cc1ccc(cc1)c2c(cc(cn2)OCC3CCNCC3)c4ccc(cc4)C#N	8WC	4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile
+c1c(onc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)C4CCC(CC4)N)C5CC5	8WD	n-{(3-endo)-8-[(trans-4-aminocyclohexyl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
+C/C=C/C=C\C(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2C[C@@H](C[C@@H](O2)CCCC(=O)C[C@@H](CCCC(=O)O1)C)C)/C)O	8WE	(2~{z},4~{e})-~{n}-[(~{s})-oxidanyl-[(1~{s},2~{e},5~{s},11~{r},17~{s},19~{r})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide
+CCCCCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O	8WF	2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol
+c1cc(ccc1Cn2cc(cn2)CN3CC(C3)NC(=O)c4cn(nn4)C5CC5)Cl	8WG	n-[1-({1-[(4-chlorophenyl)methyl]-1h-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1h-1,2,3-triazole-4-carboxamide
+c1cc(cc(c1)C(=O)O)Cn2cc(nn2)c3cccc4c3N=C(CC4=O)N5CCOCC5	8WH	3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{h}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid
+c1csc(n1)NC(=O)[C@H](CC2CCCCC2)N3C=CC(=CC3=O)S(=O)(=O)C4CCCC4	8WJ	(2s)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2h)-yl]-n-(1,3-thiazol-2-yl)propanamide
+c1cc(ccc1n2c3c(cn2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C(F)F)n5ccc(n5)F)O)F	8WK	5-[[1-[(3~{s})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one
+c1cc2c(cnn2[C@@H](CC3CCOCC3)C(=O)Nc4ncc(s4)F)c(c1)S(=O)(=O)C5CC5	8WM	(2s)-2-[4-(cyclopropylsulfonyl)-1h-indazol-1-yl]-n-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
+CCS(=O)(=O)Nc1ccccc1c2ccc(cc2)C(=O)N3CCC(CC3)(CN4C=Nc5c(cnn5C)C4=O)O	8WN	~{n}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide
+CN1CC(=CC=C1OC)C(=O)N	8WO	6-methoxy-1-methyl-2h-pyridine-3-carboxamide
+c1c2n(nc1C(F)(F)F)C=C(NC2=O)CC(=O)N	8WP	2-[(8s)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide
+C1[C@@H]([C@@H]([C@H](N1)C(=O)O)C(=O)C(=O)O)O	8WQ	(2~{s},3~{r},4~{r})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid
+CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)N/C(=C\c3cccc(c3)C(=O)c4ccccc4)/C(=O)N2	8WR	(3z,6z)-3-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]-6-[[3-(phenylcarbonyl)phenyl]methylidene]piperazine-2,5-dione
+CC(=O)NCCCC[C@@H](C(=O)NC)NC(=O)C	8WS	(2s)-2,6-diacetamido-n-methyl-hexanamide
+CSc1[nH]c2c(ncnc2n1)N	8WT	8-methylsulfanyl-7~{h}-purin-6-amine
+CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)O)OC)OC)C	8WU	(e)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one
+CC(C)C12=C3[Os]1456(C2=C4C5(=C63)C)(Cl)Cl	8WV	dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium
+c1ccc(cc1)CCSc2c3c(nc[nH]3)nc(n2)N	8WW	6-(2-phenylethylsulfanyl)-7~{h}-purin-2-amine
+Cc1c(n2cccc(c2n1)OCc3ccccc3)CC#N	8WX	2-(2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-3-yl)ethanenitrile
+CC(CC[C@@H](C(=O)O)N)(O)O	8WY	5,5-dihydroxy-l-norleucine
+Cc1cc(c2c(c1)nc(o2)N)c3ccco3	8WZ	7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine
+CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(cc3)OC)OC)C	8X0	(e)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCN4)O)O)N	8X1	5'-o-{[(2s)-azetidine-2-carbonyl]sulfamoyl}adenosine
+CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4cc5c([nH]4)CCNC5=O	8X2	2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
+C(CS(=O)(=O)O)O	8X3	2-hydroxyethylsulfonic acid
+c1ccc(cc1)CN2CCc3c(cc([nH]3)c4ccnc(n4)NC5CCOCC5)C2=O	8X5	2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+c1ccc(cc1)c2csc(n2)N3CCN(CC3)C(=O)N	8X6	4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
+CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O	8X7	1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O	8X8	~{tert}-butyl ~{n}-[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]carbamate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)O)O)O)N	8XA	9-(5-o-phosphono-beta-d-xylofuranosyl)-9h-purin-6-amine
+Cc1cnc(nc1c2cc3c([nH]2)C[C@H](N(C3=O)CCOC)C)Nc4ccnn4C	8XB	(6~{r})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O	8XC	4-amino-1-(5-o-phosphono-beta-d-xylofuranosyl)pyrimidin-2(1h)-one
+Cn1c(ccn1)Nc2nccc(n2)c3cc4c([nH]3)CCN(C4=O)CCOC	8XE	5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+c1c(ncnc1N)C(F)(F)F	8XF	6-(trifluoromethyl)pyrimidin-4-amine
+c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	8XG	2-amino-9-(5-o-phosphono-beta-d-xylofuranosyl)-1,9-dihydro-6h-purin-6-one
+COCCN1CCc2c(cc([nH]2)c3ccnc(n3)NC4CCOCC4)C1=O	8XH	5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+Cc1ccc(cc1c2ccc3c(c2F)c(c(o3)c4ccc(cc4)F)C(=O)NC)C(=O)NC5(CC5)c6ncccn6	8XJ	4-fluoro-2-(4-fluorophenyl)-n-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
+Cn1c(ccn1)Nc2nccc(n2)c3cc4c(n3C)CCN(C4=O)CCOC	8XK	5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
+[C-]#[N+]/C=C\c1c[nH]c2c1cccc2	8XL	3-[(z)-2-isocyanoethenyl]-1h-indole
+CC(C)(C(=O)Nc1nncs1)NC(=O)c2cccc(c2)c3ccc4c(c3)c(c(o4)c5ccc(cc5)F)C(=O)NC	8XM	2-(4-fluorophenyl)-n-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide
+Cc1cnc(nc1c2cc3c([nH]2)C[C@@H](N(C3=O)CCOC)C)Nc4ccnn4C	8XN	(6~{s})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{h}-pyrrolo[3,2-c]pyridin-4-one
+C(CCCCCCN=[N+]=[N-])CCCCC/C=C/C(=O)/C=N/CC(=O)O	8XO	2-[e-(e-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid
+CC(C)(C)NC(=O)c1cccc(c1)c2ccc3c(c2)c(c(o3)c4ccc(cc4)F)C(=O)NC	8XP	5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide
+c1cc2c(ccc(c2nc1)O)C(=O)O	8XQ	8-hydroxyquinoline-5-carboxylic acid
+Cc1ccc(c(c1)C)NC(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CCCC4	8XR	(3~{r})-4-cyclopentyl-~{n}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{h}-quinoxaline-6-carboxamide
+CNC(=O)c1c2cc(ccc2oc1c3ccc(cc3)F)c4cccc(c4)C(=O)O	8XS	3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
+CCNC(=O)c1cc2c(ccnc2[nH]1)N3CCOC[C@@H]3C	8XT	~{n}-ethyl-4-[(3~{s})-3-methylmorpholin-4-yl]-1~{h}-pyrrolo[2,3-b]pyridine-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O	8XU	1-(5-o-phosphono-beta-d-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione
+c1cc2c(cc1OCC(=O)N)S(=O)(=O)N=C(N2)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O	8XV	2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide
+CC(=O)SC[C@@H](CCCCc1ccccc1)P(=O)(O)O	8XW	[(2~{r})-1-ethanoylsulfanyl-6-phenyl-hexan-2-yl]phosphonic acid
+Cc1ccc(cc1)N(C)C(=O)c2ccc3c(c2)N([C@@H](C(=O)N3C)C)C4CC4	8XX	(3~{r})-4-cyclopropyl-~{n},1,3-trimethyl-~{n}-(4-methylphenyl)-2-oxidanylidene-3~{h}-quinoxaline-6-carboxamide
+c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br	8XY	6-bromo-n-(1h-indol-4-yl)-1-benzothiophene-2-carboxamide
+CC(=O)SC[C@@H](CCCc1ccccc1)P(=O)(O)O	8XZ	[(2~{r})-1-ethanoylsulfanyl-5-phenyl-pentan-2-yl]phosphonic acid
+c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)CCCCCCCCCCCC/C=C/C(=O)/C=N/CC(=O)O)C(=O)CCCCCNC(=O)C(F)(F)F	8Y0	(e)-n-[(3e)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1h-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine
+c1ccc(cc1)[C@H](CN)N2CCc3c(csc3C2=O)c4cccnc4	8Y1	6-[(1r)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccccc4	8Y2	2-(4-ethylsulfonylphenyl)-~{n}-[4-(2-phenylmethoxypyridin-3-yl)thiophen-2-yl]ethanamide
+Cn1c2c(nc1SCC(=O)Nc3ccccc3)C(=O)NC(=N2)N	8Y4	2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]-n-phenylacetamide
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4cccc(c4)C#N	8Y5	~{n}-[4-[2-[(3-cyanophenyl)methoxy]pyridin-3-yl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+c1coc2c1c(cc3c2c(c(n3Cc4cc5c(cc4F)N=CNC5=O)C(=O)O)C6=CC=CNC6=O)F	8Y6	4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3h-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1h-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
+Cn1c2c(nc1SCC(=O)O)C(=O)NC(=N2)N	8Y7	[(2-amino-9-methyl-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]acetic acid
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cc(ccc3OC)C#N	8Y8	~{n}-[4-(5-cyano-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+[H]/N=C(/N)\N[C@@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	8Y9	[(2~{r},3~{s},5~{r})-5-[(5~{s})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methy l dihydrogen phosphate
+Cc1ccc2c(c1c3c(cc4c(c3F)ncnc4N5CCN(CC5)C(=O)CCN)Cl)cn[nH]2	8YA	3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1h-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3Cl)c4cccc(c4)Cl	8YB	~{n}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+C1CCC(C1)(CO)NCC(=O)N2[C@H](CC[C@H]2C#N)C#N	8YC	(2s,5r)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile
+CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(ccc5c4cn[nH]5)C)Cl	8YD	1-{4-[6-chloro-8-fluoro-7-(5-methyl-1h-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one
+CCCc1cc(no1)C(=O)n2cc3cnn(c3c2)CCO	8YE	[1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
+[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O	8YF	(2r)-2-[(2s,3r)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1h-pyrrole -5-carboxylic acid
+CCCCNC(=O)N1CCC(CC1)C	8YH	~{n}-butyl-4-methyl-piperidine-1-carboxamide
+c1ccn(c1)[C@@H](Cc2cnc[nH]2)C(=O)O	8YI	(2s)-3-(1h-imidazol-5-yl)-2-(1h-pyrrol-1-yl)propanoic acid
+c1ccc(c(c1)C(=O)O)SCC(=O)c2ccc(cc2)Cl	8YJ	2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	8YL	(2s,3r)-2-[(2s,3r)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1h-pyrrole-5-carboxylic acid
+CC(=O)c1ccccc1Sc2ccccc2C(=O)O	8YM	2-[(2-acetylphenyl)sulfanyl]benzoic acid
+C1[C@@H]([C@H](O[C@H]1C2=CN=C(NC2=O)N)COP(=O)(O)O)O	8YN	pseudoisocytidine
+COc1cccc2c1oc(c2)C(=O)O	8YO	7-methoxy-1-benzofuran-2-carboxylic acid
+CCCCCCCCCC=O	8YP	decanal
+Cc1c(cccc1c2ccc3c(c2)OC=CO3)COc4cc(c(cc4Cl)C[C@@H]5[C@@H](C[C@H](N5)O)C(=O)O)OCc6cccc(c6)CN	8YQ	(2~{r},3~{r},5~{r})-2-[[2-[[3-(aminomethyl)phenyl]methoxy]-4-[[3-(1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-chloranyl-phenyl]methyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid
+C1COC[C@H]1[C@@H](C(=O)O)N	8YR	(2s)-2-azanyl-2-[(3r)-oxolan-3-yl]ethanoic acid
+C[C@@H]1C[C@H]1c2ccc(o2)CCC(=O)N3CCC(CC3)C(=O)N	8YT	1-[3-[5-[(1~{r},2~{r})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide
+Cc1cccc(c1CN)C	8YU	(2,6-dimethylphenyl)methanamine
+C([C@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O	8YV	2-keto-d-gluconic acid
+c1cc(ccc1[C@H](CNC(=O)c2ccc3c(c2)OCO3)O)[N+](=O)[O-]	8YW	~{n}-[(2~{r})-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide
+Cc1cc(c(cc1OCc2cccc(c2C)c3ccc4c(c3)OCCO4)OCc5cccc(c5)C#N)CN[C@H](CO)C(=O)O	8YZ	(2~{r})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid
+Cc1cccc(c1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H]([C@H]4CCOC4)NC(=O)c5cc6cccc(c6o5)OC)O)(C)C)C	8Z0	(4r)-n-[(2,6-dimethylphenyl)methyl]-3-[(2s,3s)-3-[[(2s)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3r)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+Cc1c2c([nH]n1)OC(=C([C@@]2(c3cc(cc(c3)N4CCCC4)C(F)(F)F)C(C)C)C#N)N	8Z1	(4r)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
+CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	8Z2	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{e})-dodec-2-enethioate
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)N5CC[C@H](C5)O)OC	8Z4	(4as,8ar)-4-(3-{4-[(3r)-3-hydroxypyrrolidine-1-
+c1cc(cc(c1)I)CBr	8Z5	alpha-bromo-3-iodotoluene
+C=C1C(=O)CC(CC1=O)c2cccs2	8Z6	2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione
+c1ccc(cc1)CN2CCC(CC2)NC(=O)Nc3cccc(c3)C(F)(F)F	8Z7	n-(1-benzylpiperidin-4-yl)-n'-[3-(trifluoromethyl)phenyl]urea
+COC1C[C@H]2CC[C@@H](C1)N2c3c(c(nc4n3ncn4)Cl)c5c(cc(cc5F)F)F	8Z8	5-chloranyl-7-[(1~{r},5~{s})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
+CCCCN1CCC(CC1)N(Cc2ccccc2)C(=O)Nc3ccc(c(c3)Cl)Cl	8ZA	n-benzyl-n-(1-butylpiperidin-4-yl)-n'-(3,4-dichlorophenyl)urea
+CCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	8ZB	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol
+CCC[C@@H](C)N1CCC(CC1)N(Cc2ccccc2NC(=O)CC)C(=O)Nc3cccc(c3)C(F)(F)F	8ZD	n-{2-[({1-[(2r)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide
+c1cc2c(cc1CO)OCCO2	8ZE	2,3-dihydro-1,4-benzodioxin-6-ylmethanol
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl	8ZG	1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCNCC4)Cl	8ZH	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide
+CNC(=O)c1ccn2c1nc(cc2O)c3ccccc3	8ZJ	4-hydroxy-n-methyl-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide
+CCc1cc(cc(c1)Nc2ncc(s2)C(=O)Nc3c(cccc3Cl)C)C(=O)NC4CCNCC4	8ZK	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide
+CNC(=O)CCC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@@H](NC2=O)C(=O)N(C)C	8ZL	(5s,8r)-n,n-dimethyl-8-[[(2s)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
+c1ccc(cc1)c2cc(n3c(n2)nnn3)O	8ZM	5-phenyltetrazolo[1,5-a]pyrimidin-7-ol
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(F)(F)F)C(=O)NC4CCNCC4)Cl	8ZN	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide
+C=CCOC(=O)[C@@H]1CS(=O)(=O)c2c1cccc2	8ZO	prop-2-enyl (3r)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
+c1ccc(cc1)c2cc(n3ccc(c3n2)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O	8ZP	(1r,2s)-2-[(4-hydroxy-2-phenylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]cyclohexane-1-carboxylic acid
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(=O)NC4CCNCC4)c5ccccc5N)Cl	8ZQ	2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+CC1=CC=CC2=[N]1[Cu]3[N](=C2)NC(=[S]3)N(C)C	8ZR	~{n},~{n},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine
+C[C@@H](CO)NC(=O)c1ccn2c1nc(cc2O)c3ccccc3	8ZS	4-hydroxy-n-[(2s)-1-hydroxypropan-2-yl]-2-phenylpyrrolo[1,2-a]pyrimidine-8-carboxamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)Cl	8ZT	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide
+CCCc1ccc(cc1)C(=O)O	8ZU	4-propylbenzoic acid
+COCCOc1cc(cc(c1)OCCOC)C(=O)NCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3	8ZV	2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2s)-1-(benzylsulfonyl)piperidine-2-carboxylate
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)Cl	8ZW	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide
+COc1ccc(cc1)C(=O)N	8ZX	4-methoxybenzamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNC[C@H]4F)Cl	8ZZ	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{r},4~{r})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
+COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)Nc5ccc(cc5)Cl	900	n-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
+CCc1cc(ccc1N(c2ccccc2C(=O)O)C(=O)C(=O)O)C[C@@H](C(=O)NCCCCC(=O)N[C@@H](CCSC)C(=O)O)NC(=O)C	901	2-[(4-{2-acetylamino-2-[4-(1-carboxy-3-methylsulfanyl-propylcarbamoyl)-butylcarbamoyl]-ethyl}-2-ethyl-phenyl)-oxalyl-am ino]-benzoic acid
+c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)c5n[nH]nn5)OCC(=O)O)Br	902	{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2h-tetrazol-5-yl)-3-thienyl]oxy}acetic acid
+CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)OC)C(C(=O)O)(C(=O)O)F)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4	903	2-{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-methoxycarbonyl-phenyl}-2-fluoro-malonic acid
+CCN(C)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cnc(nc4)C5CC5)F	904	n'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-n-ethyl-n-methylsulfuric diamide
+[H]/N=C(/c1ccc(cc1O)N[C@H](c2cc(cc(c2F)OCC)OCC)C(=O)NS(=O)(=O)c3cccc(c3)N)\N	905	(r)-4-[2-(3-amino-benzenesulfonylamino)-1-(3,5-diethoxy-2-fluorophenyl)-2-oxo-ethylamino]-2-hydroxy-benzamidine
+CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccnc(c3)N	906	1-(2-aminopyridin-4-yl)-3-[(3s)-5-{4-[(e)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one
+Cc1cc(c(c(c1)Br)[O-])c2cc3cc(ccc3[nH]2)C(=[NH2+])N	907	2-{5-[amino(iminio)methyl]-1h-indol-2-yl}-6-bromo-4-methylbenzenolate
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)NCC(=O)N)OC	908	4-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(2-azanyl-2-oxidanylidene-ethyl)benzamide
+Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5ccc(cc5)NC(=O)C)C(=O)C	909	n-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-pyrrol-3-yl]phenyl]ethanamide
+CC(=O)NCCOCCOCCOCCOCCC(=O)O	90A	2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)Br)C(=O)NC4CCNCC4)Cl	90B	2-[[3-bromanyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+CC(C)N1CCN(CC1)c2ccc(cc2)C(=C(CCCO)c3ccccc3)c4ccc(cc4)O	90C	4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
+CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)CCCNC)O	90D	methyl [(4s)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3r)-1-[4-(methylamino)butanoyl]piperidin-3-yl}butyl]carbamate
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNCC4(F)F)Cl	90E	2-[[3-[[(4~{r})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+CCC(=O)Nc1cc(cc(c1Nc2c3cc(ccc3[nH]n2)O[C@H](C)c4c(cncc4Cl)Cl)F)N5CCC(CC5)N6CCOCC6	90F	~{n}-[2-[[5-[(1~{r})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{h}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide
+c1cc(ccc1c2cc([nH]n2)NC(=O)CS)Cl	90G	n-[3-(4-chlorophenyl)-1h-pyrazol-5-yl]-2-sulfanylacetamide
+c1cc(ccc1c2c[nH]nc2NC(=O)CS)F	90J	n-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]-2-sulfanylacetamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4cccc(c4)N)Cl	90K	2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@@H]([C@@H](C3)O)CCCO)O)C	90L	(1r,2r,3r)-5-[(e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol
+Cc1c(n[nH]c1NC(=O)CS)c2ccc(cc2)F	90M	n-[3-(4-fluorophenyl)-4-methyl-1h-pyrazol-5-yl]-2-sulfanylacetamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4nc(nc(n4)N)C)Cl	90N	2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@H]([C@@H](C3)O)CCCO)O)C	90O	(1r,2s,3r)-5-[(e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol
+CCN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCCC4)OC)OC	90P	n~2~-cyclohexyl-n~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-n~2~-methylquinazoline-2,4-diamine
+CC1=CC(=O)c2c(cccc2O)C1=O	90R	5-hydroxy-2-methylnaphthalene-1,4-dione
+CC(C)c1cc([nH]n1)C(=O)N2CC[C@@H](C2)n3cc(cn3)Br	90S	[(3s)-3-(4-bromo-1h-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1h-pyrazol-5-yl]methanone
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CC[C@@H](C4)C(=O)O)Cl	90T	(3~{s})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid
+CC(C)c1cc([nH]n1)C(=O)N2CC[C@H](C2)NC(=O)C3CC3	90V	n-{(3r)-1-[3-(propan-2-yl)-1h-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)O)Cl	90W	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CC(N(C(C4)(C)C)O)(C)C)Cl	90Z	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
+c1ccc(cc1)CNc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br	910	5-[3-(benzylamino)phenyl]-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid
+CC(O)(P(=O)(O)O)P(=O)(O)O	911	(1-hydroxyethane-1,1-diyl)bis(phosphonic acid)
+Cc1cccc(c1NC(=O)C2CN/C(=N/c3cccc(c3)C(=O)NC4CCC(CC4)(C)O)/S2)Cl	912	(2~{z})-~{n}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide
+c1cc(cc(c1)n2cccn2)CN	913	(3-pyrazol-1-ylphenyl)methanamine
+c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OC[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)F)N	914	[(2r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic  acid
+Cc1cc(ccc1F)S(=O)(=O)N[C@H](C2CCOCC2)C(=O)NO	915	(2r)-2-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-n-hydroxy-2-tetrahydro-2h-pyran-4-ylacetamide
+CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Oc3c2cc(s3)CC(C)(C)C)(C)C)O	916	n-[(2s,3r)-4-{[(4s)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2h-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3cncs3	917	n-({(5s)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide
+c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F	918	5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
+CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC	919	4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1h-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-n-methylpyridine-2-carboxamide 
+CC(C)C[C@H](CN)N1CCc2c(csc2C1=O)c3cccnc3	91A	6-[(2r)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one
+CN1CCN(CC1)c2cccc(c2)CN	91B	1-[3-(4-methylpiperazin-1-yl)phenyl]methanamine
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4ccccc4F)Cl	91D	n~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NCC(C)(C)CN)Cl	91E	2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{n}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide
+CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	91F	2-(4-methylsulfanylphenyl)-3h-quinazolin-4-one
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4cc(cc5c4cccc5)O)Cl	91G	n~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)C(=O)O)Cl	91H	4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid
+CN1CCC(CC1)CNC2=Nc3c(c4c(s3)CCCC4)C(=O)N2	91J	2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CC[C@@H](C4)CC(=O)O)Cl	91K	2-[(3~{r})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)C(=O)O)O	91L	1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4cccc5c4non5	91M	(5s,8r)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
+c1cc(sc1)c2ccnc3c2ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	91N	[(2~{r},3~{s},5~{r})-3-oxidanyl-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate
+COc1ccc(cc1)C(=O)/C=C\Nc2cc(c(cc2Cl)C(=O)O)OC	91O	5-chloro-2-methoxy-4[(1z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid
+Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)O)O	91P	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CN(C)CCc1c[nH]c2c1c(ccc2)O	91Q	3-[2-(dimethylamino)ethyl]-1~{h}-indol-4-ol
+c1c(cn(c1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#CC[C@@H](CO)O	91R	[[(2~{r},3~{s},5~{r})-5-[4-[(4~{s})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(cccc4F)O)Cl	91S	 (s)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one
+c1c(cn(c1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C#CC[C@H](CO)O	91T	[[(2~{r},3~{s},5~{r})-5-[4-[(4~{r})-4,5-bis(oxidanyl)pent-1-ynyl]-2-nitro-pyrrol-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CC(=O)N[C@H](CC1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl	91U	n-acetyl-3-cyclohexyl-d-alanyl-n-(3-chlorobenzyl)-l-prolinamide
+c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCCNc4ccc5nncn5n4	91V	n-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine
+C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@H]4CC[C@H](O4)C(C)(C)O	91W	(1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{r},5~{s})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+c1ccc2c(c1)C(=O)c3ccc(cc3S2(=O)=O)c4[nH]nnn4	91X	3-(1h-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione
+c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)C4CCCCC4	91Y	3-[(cyclohexanecarbonyl)amino]-n-(2,3-dihydro-1h-inden-2-yl)pyrazine-2-carboxamide
+Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@@H]6[C@@H](C[C@@]6(C5)C)N	920	4-[(1s,5r,6r)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-n-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9h-pyrimido[4,5-b]indol-8-amine
+CC(=CCN(c1cccc(c1)Oc2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C	921	n-methyl-n'-(3-methylbut-2-en-1-yl)-n'-(3-phenoxyphenyl)-n-[trans-4-(pyridin-4-yl)cyclohexyl]urea
+[H]/N=C(/N)\Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)OCc2ccccc2)O	922	(5r,6s,8s)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide
+CC(C)([C@H]1Cc2cc(ccc2O1)/C=C\3/C(=C(C(=O)O3)c4ccc5c(c4)C[C@@H](O5)C(C)(C)O)O)O	923	(5z)-4-hydroxy-3-[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5h)-one
+c1ccc(cc1)CC(=O)N2CCc3c2ccc(c3)c4csc5c4c(ncc5)N	924	1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1h-indol-1-yl]-2-phenylethanone
+CC1(CC(CC(N1O)(C)C)NC(=O)c2cccc(c2)c3cc4nccc(n4n3)Nc5cccc(c5)O)C	925	3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-n-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide
+Cn1ccnc1Sc2cccc(c2)C3=CC=CC(=O)N3	926	6-{3-[(1-methyl-1h-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1h)-one
+CC(=CCN(c1cccc(c1)NC(=O)c2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C	927	n-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide
+c1cc(ccc1n2c(c(cn2)C#N)N)Cl	928	5-amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile
+CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](C)C[C@@H]([C@H](COCc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O	929	n-[(2s,3s,5r)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2s)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+CC1CCN(CC1)C(=O)[C@@H](Cc2ccc(cc2)NC(=O)CCc3ccc(cc3)Cl)NC(=O)CCC(C)C	92A	n-[(2r)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide
+C1C[C@H](N2[C@H]1C=C[C@H]3CCN[C@@H]3C2=O)C(=O)O	92B	(3~{s},7~{r},10~{r},13~{s})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+Cn1cc(cn1)/C=C\2/c3cc(ccc3NC2=O)Cl	92C	(3z)-5-chloro-3-[(1-methyl-1h-pyrazol-4-yl)methylidene]-1,3-dihydro-2h-indol-2-one
+Cc1ccc(cc1c2cc(ncn2)N3CCOCC3)C(=O)Nc4cccc(c4)C(C)(C)C	92D	n-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide
+CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)NC(=O)C)C(=O)C	92E	~{n}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(C(=NC3=NC2=O)N)C#N)COP(=O)(O)O)O	92F	7-amino-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-2-oxo-2,3-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
+c1cc(ccc1c2csc(n2)N)O	92G	4-(2-amino-1,3-thiazol-4-yl)phenol
+CN(C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4	92H	~{n}-[[(3~{r})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-3-yl]methyl]-~{n}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3C[S@](=O)C[C@@H](NC2=O)C(=O)N(C)C	92I	(3s,5s,8r)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
+Cc1c(cc(cn1)NC(=O)c2cccc(c2)C(F)(F)F)c3cc(c(nc3)OC4CCOCC4)N5CCOCC5	92J	n-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide
+c1ccc(c(c1)C(=O)C(=O)O)N	92K	isatinic acid
+CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O	92L	2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione
+CN1c2cnc(nc2N(CCC1=O)C3CCCC3)Nc4ccc(cc4OC)N5CCC(CC5)O	92M	9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5h-pyrimido[4,5-b][1,4]diazepin -6(7h)-one
+B1(c2ccc(cc2CO1)Oc3ccc(cc3)C=O)O	92N	4-[(1-oxidanyl-3~{h}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde
+CCc1cccc2c1[nH]cc2C3CCNCC3	92O	7-ethyl-3-(piperidin-4-yl)-1h-indole
+COC(=O)c1c[nH]c2c1cccn2	92P	1h-pyrrolo[2,3-b]pyridine-3-carboxylic acid
+Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@H]4CCNC4)Cl	92Q	~{n}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{s})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
+CN(C)Cc1ccc(cc1)C2=Cc3c(cccc3OC)C(=O)N2	92R	3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2h)-one
+CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCC(=O)c5ccc(cc5)F	92S	1-(4-fluorophenyl)-4-[(10~{r},15~{s})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
+c1ccc(c(c1)n2c(nnc2C3CC(C3)N4c5ccc(cc5NC4=O)C#N)c6ccncn6)Cl	92T	1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{h}-benzimidazole-5-carbonitrile
+CCN1c2ccc(cc2N(S1(=O)=O)CC)C(=O)c3cnn(c3O)C	92U	[1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
+COc1ccc(cc1)n2c(c(cn2)C(=O)NCCCS)C(F)(F)F	92V	1-(4-methoxyphenyl)-n-(3-sulfanylpropyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxamide
+Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCN(C[C@@H]3C)C(=O)CN	92W	2-amino-1-[(3s)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one
+Cc1ccccc1N2C(=O)c3c(c(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C	92X	1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
+CN(C)C[C@H]1[C@H]2CC[C@](C2)([C@H]1O)c3ccccc3	92Y	(1r,2s,3r,4s)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol
+C1C=C(C(=O)N=C1)N	92Z	5-azanyl-3~{h}-pyridin-6-one
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@@H]5CCCN5	930	6-chloro-n-((3s)-2-oxo-1-{4-[(2s)-2-pyrrolidinyl]phenyl}-3-pyrrolidinyl)-2-naphthalenesulfonamide
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@H]5CCCN5	931	6-chloro-n-((3s)-2-oxo-1-{4-[(2r)-2--pyrrolidinyl] phenyl}-3-pyrrolidinyl)-2-naphthalenesulfonamide
+Cc1csc(c1c2[nH]ncn2)NC(=O)CN3c4ccccc4CCC3=O	932	n-[4-methyl-3-(1h-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2h)-yl)acetamide
+C[C@@H](C(C)(C)C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3	933	2-cyclopropyl-n-[(2s)-3,3-dimethylbutan-2-yl]-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+CC(=O)N1CCC(CC1)Nc2cccc3c2nc(nc3)Nc4cnn(c4)C	934	1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone
+[H]/N=C/c1cccc(n1)c2ccc(c(c2)C(F)(F)F)OCCCN3CCN(CC3)C	935	(e)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine
+Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-]	936	5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione
+CN1CCN(CC1)c2ccc(c(c2)Nc3ncc4c(n3)-c5c(c(nn5CCO)C(=O)N)CC4)OC(F)(F)F	937	1-(2-hydroxyethyl)-8-[[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino]-4,5-dihydropyrimido[5,4-g]indazole-3-carboxamide
+c1c(c(ncn1)Cl)N	938	4-chloranylpyrimidin-5-amine
+Cn1cc(cc1c2ccnc(n2)Nc3cc(ccc3OC(F)(F)F)N4CCN(CC4)C)C(=O)N	939	1-methyl-5-(2-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)-1h-pyrrole-3-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NS(=O)(=O)NC2=O	93A	[3,4-dihydroxy-5r-(2,2,4-trioxo-1,2r,3s,4r-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
+C1CNC(=S)NC1	93B	1,3-diazinane-2-thione
+c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O	93C	n-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrimidine-5-carboxamide
+c1c(c(nc(n1)N)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	93D	(1r)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-o-phosphono-d-erythro-pentitol
+c1cc(c(nc1)N)Cl	93E	3-chloranylpyridin-2-amine
+CN1CCN2c3c1cccc3[C@H]4[C@@H]2CCN(C4)CCCc5ccccc5OC	93F	(10~{r},15~{s})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene
+Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)N)O	93G	9-n-(3-carboxy-4-hydroxyphenyl)ketomethyl-7-n-methylguanine
+COc1ccc(cc1)CCNCCc2ccc(c(c2)O)O	93H	4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol
+CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3)N4CCOCC4	93I	7-methyl-2-morpholin-4-yl-9-[(1~{r})-1-phenylazanylethyl]-3~{h}-pyrido[1,2-a]pyrimidin-4-one
+CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F	93J	(2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide
+c1cc(c(cc1C(=O)N)N)N	93K	3,4-bis(azanyl)benzamide
+Cc1nnc2n1nc(cc2NC3CCN(CC3)C)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4CNC5=O	93L	(1r,9s)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O	93M	(3r,5s,9r,26s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name)
+CN1CCN(CC1)CCCOc2ccc(cc2C(F)(F)F)c3cccc(n3)C#N	93N	6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile
+Cc1c(c(c(c(n1)C)C(=O)OC/C=C/c2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OCCOC	93O	2-methoxyethyl (2e)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O	93P	(3r,5s,9r,23s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name)
+Cc1cccnc1N	93Q	3-methylpyridin-2-amine
+CCOC(=O)c1c(nc(c(c1c2cccc(c2Cl)Cl)C(=O)OC)C)C	93R	ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCOCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl	93S	n,n'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide)
+Cc1c(c(n2c(n1)cc(n2)c3ccc(cc3)Br)C)CCC(=O)O	93T	3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
+Cc1c(c(c(c(n1)C)C(=O)OCCN(C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC	93U	2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
+COc1ccc(cc1)c2c(c(co2)C(=O)O)C(=O)O	93V	2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid
+c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@H](Cc3c[nH]c4c3cccc4)C(=O)O)O	93W	(2~{r})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{h}-indol-3-yl)propanoic acid
+COc1ccc(cc1O)[C@H]2[C@@H](C(=O)N2c3cc(c(c(c3)OC)OC)OC)CO	93X	(3~{r},4~{r})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl	93Y	n,n'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
+C([C@@H]1[C@H]([C@@H]([C@H](C([C@H]1OS(=O)(=O)O)O)O)O)O)O	93Z	[(1~{s},2~{r},3~{r},4~{s},5~{r})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate
+Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)NCCO4)C	940	(2s)-2-[2-(3,4-dihydro-2h-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O	941	2-(4-{2-tert-butoxycarbonylamino-2-[4-(3-hydroxy-2-methoxycarbonyl-phenoxy)-butylcarbamoyl]-ethyl}-phenoxy)-malonic acid
+CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)c2ccccc2)N	942	n-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-n-methyl-benzamide
+C([C@@H]1[C@H]([C@@H]([C@H](C([C@@H]1OS(=O)(=O)O)O)O)O)O)O	945	[(1~{r},2~{r},3~{r},4~{s},5~{r})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate
+c1ccc2cc(ccc2c1)CNC[C@@H](c3ccc(c(c3)O)O)O	946	4-[(1~{r})-2-(naphthalen-2-ylmethylamino)-1-oxidanyl-ethyl]benzene-1,2-diol
+CCc1cc(ccc1c2ccccc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	947	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-ethyl[1,1'-biphenyl]-4-sulfonamide
+C([C@H]1[C@@H]2[C@@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O	948	(1~{r},2~{s},3~{s},4~{r},5~{r},6~{r})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
+CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C	949	4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide
+CC(C)NC(=O)O[C@@H]1CC[C@](c2c1nnn2Cc3ccc(cc3)OC)(C)O	94A	(4r,7s)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1h-benzotriazol-4-yl propan-2-ylcarbamate
+C([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O	94B	(1~{s},2~{s},3~{s},4~{r},5~{r},6~{s})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
+CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4F)Cl	94C	1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
+CC(C)Cc1c(nc(s1)N)c2ccc(o2)P(=O)(O)O	94D	{5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)O2)O)O)O)O	94E	(3~{a}~{r},4~{r},5~{s},6~{r},7~{r},7~{a}~{s})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol
+CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4C(F)(F)F)Cl	94F	1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one
+c1cc(ccc1S(=O)(=O)NC(=O)Nc2cc(ccn2)Br)Cl	94G	n-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide
+c1ccc(cc1)[C@H](CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4	94H	~{n}-[(1~{r})-2-azanyl-1-phenyl-ethyl]-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
+[H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2cncnc2)N3CCCCCC3)N	94I	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl	94J	n,n'-(pentane-1,5-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide)
+Cc1c(cc(s1)c2ccccc2Cl)C(=O)N[C@@H](CN)c3ccccc3	94K	~{n}-[(1~{r})-2-azanyl-1-phenyl-ethyl]-5-(2-chlorophenyl)-2-methyl-thiophene-3-carboxamide
+Cc1cccc(c1N2C(=O)c3cc(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C	94L	3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
+Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N	94M	6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9h-purin-2-amine
+c1cc(c(c(c1)Br)O)Br	94N	2,6-bis(bromanyl)phenol
+c1ccc2c(c1)C3=NC4=NC(=O)N(C=C4C=C3C2=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O	94O	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-2h-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,6(3h)-dione
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC4(N=N4)CCC#C)O	94Q	~{s}-[2-[3-[[(2~{s})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 9-(3-but-3-ynyl-1,2-diazirin-3-yl)nonanethioate
+C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	94R	(3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol
+CC(C)Cc1cc(ccc1OC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br	94S	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-methoxy-3-(2-methylpropyl)benzene-1-sulfonamide
+CCCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O	94T	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate
+CCN(CC)c1ccc(cc1)NC(=O)c2cc3c([nH]2)ncs3	94U	n-[4-(diethylamino)phenyl]-4h-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
+c1ccc(c(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl	94V	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide
+COc1ccc2c(c1)sc(n2)N	94W	6-methoxy-1,3-benzothiazol-2-amine
+C/C(=C/[C@H](Cc1ccc(cc1)Br)O)/C(=O)O	94X	(2z,4s)-5-(4-bromophenyl)-4-hydroxy-2-methylpent-2-enoic acid
+c1cc(c(cc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Cl	94Y	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4-dichlorobenzene-1-sulfonamide
+c1cc(cc(c1)NC(=O)CCC(=O)N2CCN(CC2)c3ccc(cc3)F)C(=O)N	94Z	3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butanoyl]amino]benzamide
+CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)F	950	2-{5-[amino(iminio)methyl]-6-fluoro-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate
+c1ccc(c(c1)c2ccc(o2)/C=N/Nc3ccccc3C(=O)O)Cl	951	2-[(2e)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3cccc(c3)Oc4ccccc4	952	5-methyl-1-[(3~{s})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione
+c1cc(c(cc1C(F)(F)F)c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl	953	5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1h-pyrrole-3-carboxamide
+[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)SC)F)C)c4ccc(s4)C#N	954	5-{(2e,4ar,7ar)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7ah-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile
+CN1c2ccccc2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)c4cccs4	956	1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CC2)c3cc(cs3)CC(C)(C)C)O	957	n-[(1s,2r)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide
+Cc1cccc(c1)c2nnc(o2)Cn3c4c(nc3N(C)C)N(C(=O)N(C4=O)C)C	958	8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione
+CC(=O)CNC(=O)OCc1ccccc1	959	benzyl (2-oxopropyl)carbamate
+c1cc(c(c(c1)O)O)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O	95B	azotochelin
+c1ccc(cc1)CC(=O)Nc2cc(ccc2C(=O)N)[N+](=O)[O-]	95C	4-nitro-2-[(phenylacetyl)amino]benzamide
+Cn1cc(c2c1c(ccc2)OCC(=O)N)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	95D	2-[(3-{[(5-bromo-1,3-thiazol-2-yl)carbamoyl]sulfamoyl}-1-methyl-1h-indol-7-yl)oxy]acetamide
+CC[C@@H](CO)NCCN[C@@H](CC)CO	95E	ethambutol
+CCc1c(nc(nc1N2CCOCC2)N)C	95F	5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine
+Cn1c(c(c(n1)Cl)Cl)Oc2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	95G	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1h-pyrazol-5-yl)oxy]benzene-1-sulfonamide
+C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)c2ccc(cc2)[N+](=O)[O-])O	95H	~{n}-[(1~{r},2~{r})-1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanyl-propy l]-4-nitro-benzamide
+c1ccc(cc1)CNC(=S)N[C@@H](Cc2c[nH]cn2)C(=O)O	95I	n-(benzylcarbamothioyl)-l-histidine
+c1cc(sc1c2ccon2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	95J	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
+CC(C)CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]c(nn3)N	95K	1-(5-azanyl-4~{h}-1,2,4-triazol-3-yl)-~{n}-[2-(4-bromophenyl)ethyl]-~{n}-(2-methylpropyl)piperidin-4-amine
+c1cc2c(cc1F)c(c(cn2)C(=O)NN)N	95L	4-amino-6-fluoroquinoline-3-carbohydrazide
+CC(C)Cc1ccc(s1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br	95M	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
+CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]nc(n3)N	95N	1-(3-azanyl-1~{h}-1,2,4-triazol-5-yl)-~{n}-[2-(4-bromophenyl)ethyl]-~{n}-methyl-piperidin-4-amine
+Cc1nnc2n1cc(cc2N)C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O	95O	(1r,9s)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
+c1c(c(sc1S(=O)(=O)NC(=O)Nc2ncc(s2)Br)Cl)Br	95P	4-bromo-n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide
+c1ccc(cc1)CN(CCc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N	95Q	1-(3-azanyl-1~{h}-1,2,4-triazol-5-yl)-~{n}-[2-(4-chlorophenyl)ethyl]-~{n}-(phenylmethyl)piperidin-4-amine
+COc1ccccc1[C@H]2CC(=O)NC3=C2C(=O)CCC3	95R	(4r)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1h,3h)-dione
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2ncc(s2)Br	95S	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
+Cc1ccc2c(c1)[nH]nc2c3cccc(c3)NC(=O)C=C	95U	n-[3-(6-methyl-1h-indazol-3-yl)phenyl]prop-2-enamide
+Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	95V	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide
+CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cccc(n3)Oc4ccccc4	95W	5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione
+Cc1c(ccc2c1cc(cc2)O[C@@H](C)c3c(ccc(c3Cl)F)Cl)/C=C/C(=O)O	95X	(2e)-3-{7-[(1s)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)N3CCOCC3)Br	95Y	n-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)N)O)O)O	95Z	2-amino-2-deoxy-alpha-d-mannopyranose
+Cn1cc(cn1)c2cc3c(cnn3S(=O)(=O)c4cnc5n4nc(cc5)Cl)nc2	960	1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1h-pyrazol-4-yl)-1h-pyrazolo[4,3-b]pyridine
+CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C	961	3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid
+C[C@@H](CN(CCO)C[C@H](C)O)O	962	(2~{s})-1-[2-hydroxyethyl-[(2~{s})-2-oxidanylpropyl]amino]propan-2-ol
+COc1cc(cc(c1O)OC)C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O	963	(1r,9s)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
+CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)c2c(nccn2)C(=O)O	964	3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid
+c1ccc(cc1)C(C[N@](CCCOc2cccc(c2)CC(=O)O)Cc3cccc(c3Cl)C(F)(F)F)c4ccccc4	965	[3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid
+CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@H]([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@@H]6C(=O)c7ccc(cc7)OC)O)OC)OC(=O)C)OC)OC)COC	966	[(1s,2r,3r,4r,5r,6s,8r,9s,13s,16s,17r,18r)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate
+c1ccc2c(c1)c(cs2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	967	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-1-benzothiophene-3-sulfonamide
+c1ccc(c(c1)C(=O)O)N(c2cccc3c2cc(cc3)O)C(=O)C(=O)O	968	2-[(7-hydroxy-naphthalen-1-yl)-oxalyl-amino]-benzoic acid
+CC[C@@](C)(C1=CC(=O)c2c(cc3c(c2O1)C(=O)c4c(cccc4O)C3=O)C)O	969	11-hydroxy-2-[(2s)-2-hydroxybutan-2-yl]-5-methyl-4h-anthra[1,2-b]pyran-4,7,12-trione
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)N)Br	96A	n-{[4-bromo-6-(carbamoylamino)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
+c1ccc(cc1)[C@H]2CCCN2	96B	(2r)-2-phenylpyrrolidine
+CCOc1ccc(cc1)c2cn(nc2c3cc(c(c(c3)OC)OC)OC)C	96C	4-(4-ethoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)-1h-pyrazole
+c1cc(cc(c1)S(=O)(=O)NC(=O)Nc2cnc(cn2)C#N)OC(F)F	96D	n-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
+CCCN(CCCCCO)CCO	96E	5-[2-hydroxyethyl(propyl)amino]pentan-1-ol
+CC[C@](C)(C(=O)CC(=O)c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)C)O	96F	1,8-dihydroxy-2-[(4r)-4-hydroxy-4-methyl-3-oxohexanoyl]-3-methylanthracene-9,10-dione
+COc1ccc(cc1)c2ccc(s2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br	96G	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
+C[C@@H](CN(C[C@H](C)O)C[C@H](C)O)O	96H	triisopropanolamine
+CCc1c(c(nc(c1C#N)N2CCC(CC2)N)N[C@H](c3ccccc3)C(=O)N)C#N	96I	(2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide
+Cc1cccc(c1)S(=O)(=O)NC(=O)Nc2c(c(ns2)C)Br	96J	n-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
+CCCN(CCC)CCCCCCO	96K	6-dipropylamino-1-hexanol
+Cc1nnc2n1nc(cc2NC3CCN(CC3)CC(C)(C)F)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4[C@H](NC5=O)C(C)C	96L	(1r,9s,12r)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
+CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C	96M	6-(2,6-dichlorophenyl)-2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+CCc1c(c([nH]c1C(=O)NCc2cccc3c2cccc3)C)C(=O)C	96N	4-ethanoyl-3-ethyl-5-methyl-~{n}-(naphthalen-1-ylmethyl)-1~{h}-pyrrole-2-carboxamide
+Cn1cc(nn1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	96O	(1-methyl-1h-1,2,3-triazol-4-yl)methyl alpha-d-mannopyranoside
+c1cc(cc(c1)OC(=O)NC[C@@H](COC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)C(F)(F)F	96P	(2s)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate)
+c1cc(ccc1c2cc3cc(oc3c(c2)c4ccc(cc4)F)CNC(=O)/C=C/c5ccc(nc5)N)C(=O)N6CCC(CC6)(F)F	96Q	(~{e})-3-(6-azanylpyridin-3-yl)-~{n}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide
+c1cc2c(cc(nc2c(c1)O)N)n3ccnc3	96R	2-amino-4-(1h-imidazol-1-yl)quinolin-8-ol
+CCN1C(=CN(C1=O)Cc2[nH]c3ccc(nc3n2)Cl)Cc4ccc(cc4Cl)OC	96S	1-[(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2h-imidazol-2-one
+CC1(c2ccccc2[N+](=C1/C=C/C=C\3/C(c4ccccc4N3CCCO)(C)C)CCCO)C	96T	3-[(2~{z})-2-[(~{e})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol
+c1cn(cn1)c2cc(nc3c2cc(cc3O)O)N	96U	2-amino-4-(1h-imidazol-1-yl)quinoline-6,8-diol
+Cc1cc2c([nH]1)C(=O)N(C=C2C(=O)N(C)C3CCN(CC3)[C@@H](C)c4ccccc4)CC=C	96V	n,2-dimethyl-7-oxo-n-{1-[(1s)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-4- carboxamide
+CC(=O)Nc1cc(c2cccc(c2n1)O)Cn3ccnc3	96X	n-{8-hydroxy-4-[(1h-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
+Cc1cncc(n1)c2cc3c(cn2)cnn3c4cccc(n4)[C@H]5CNCCC5(F)F	96Y	1-{6-[(3r)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1h-pyrazolo[4,3-c]pyridine
+C1C=CC2=CCC(=C2C=C1)C[C@@H](C(=O)O)N	96Z	(2~{s})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid
+CC(=C)[C@H]1Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O1	970	(2r,6as,12as)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6ah)-one
+CN1CCN(CC1=O)c2cc3c(cn2)[nH]nc3c4cccc(n4)N5CCNCC5	971	1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1h-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one
+CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)Cl	972	2-{5-[amino(iminio)methyl]-6-chloro-1h-benzimidazol-2-yl}-6-isobutoxybenzenolate
+c1ccc2c(c1)cccc2\C=C/3\C(=C(C(=O)O3)c4ccc(cc4)Cl)O	973	(5z)-3-(4-chlorophenyl)-4-hydroxy-5-(1-naphthylmethylene)furan-2(5h)-one
+Cn1ccnc1c2cccc(c2)Oc3c(c(c(c([nH+]3)Oc4cc(ccc4O)C(=N)N)F)N5CCC[C@H](C5)C(=O)O)F	974	1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy] pyridin-4-yl]piperidine-3-carboxylic acid
+c1cc(c(cc1CCO)O)O	975	4-(2-hydroxyethyl)benzene-1,2-diol
+CCC[C@@H](c1c(nc2ccc(cc2c1c3ccccc3)Cl)C)C(=O)O	976	(2s)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid
+c1ccc(cc1)c2c(c(nc(n2)N)O)Br	977	2-amino-5-bromo-6-phenylpyrimidin-4-ol
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCN5CCNCC5	979	5,6-diphenyl-n-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
+CC[C@H]1[C@H](CC(=O)N1c2ccc(c(c2)C(F)(F)F)C#N)O	97A	4-[(2s,3s)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
+CN1CCN(CC1)C(=O)c2ccc(cc2)Nc3ncc4c(n3)-c5ccc(cc5C(=NC4)c6c(cccc6F)F)Cl	97B	9-chloro-7-(2,6-difluorophenyl)-n-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5h-pyrimido[5,4-d][2]benzazepin-2-amine
+CCCCC(=O)OCCOCCC[C@@H](CC)O	97C	2-{[(4r)-4-hydroxyhexyl]oxy}ethyl pentanoate
+c1ccc(c(c1)n2c(nnc2c3ccncn3)c4ccc(cc4)N5c6ccc(cc6NC5=O)C#N)Cl	97E	1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{h}-benzimidazole-5-carbonitrile
+c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)N	97H	2-(3-aminophenyl)-3~{h}-quinazolin-4-one
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc4c(c3)c[nH]n4	97K	2-(2~{h}-indazol-5-yl)-3~{h}-quinazolin-4-one
+Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)CN)c4c(c5ccccc5s4)C#N	97L	(2m)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1h-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile
+CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)O	97M	(2r)-2,3-dihydroxypropyl (9z)-hexadec-9-enoate
+CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O	97N	(2s)-2,3-dihydroxypropyl (9z)-hexadec-9-enoate
+COc1ccc(cc1)c2c-3c(n[nH]2)CCc4c3cc(c(c4OC)OC)OC	97O	6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{h}-benzo[e]indazole
+c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)O	97Q	2,8-bis(trifluoromethyl)quinolin-4-ol
+c1ccc(c(c1)c2ccno2)O	97T	2-(1,2-oxazol-5-yl)phenol
+C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl	97U	(2~{s})-2-[[(3~{r})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid
+CS(=O)(=O)c1cccc(c1)NC(=O)N(Cc2ccc(cc2)C(=O)Nc3[nH]nnn3)c4ccc(cc4)C5CCCCC5	97V	4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-n-(1h-tetrazol-5-yl)benzamide
+c1cc2c(ccnc2cc1C(F)(F)F)O	97W	7-(trifluoromethyl)quinolin-4-ol
+Cn1c(c(cn1)c2ccc3c(c2)C(=NNC3=O)CN)c4ccc5ccccc5c4C#N	97X	(2p)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1h-pyrazol-5-yl}naphthalene-1-carbonitrile
+CC1(CC(C1)[C@H](c2ccc(cc2)C(=O)NCCC(=O)O)Nc3ccc(nc3)n4cc(nc4)C(F)(F)F)C	97Y	n-{4-[(r)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1h-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOCC4	97Z	2-[4-morpholin-4-yl]-3,4-dihydroquinazolin-4-one
+C[C@@H]1CC(=O)Nc2ccccc2N1	98	(4r)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O	980	(2s)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one
+CCN1c2c(cnc(n2)Nc3ccc(c(c3)F)N4CCNCC4)C=C(C1=O)c5ccc(cc5Cl)Cl	981	6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(piperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+c1cc2c(c(sc2nc1)C(=O)O)OCC(=O)O	982	3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid
+CC(C)[C@H](NS(=O)(=O)C[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O	983	(5s,9r,10r,12s)-12-[3-(aminomethyl)phenyl]-5-benzyl-10-hydroxy-9-isopropyl-3-oxo-1-phenyl-2-oxa-7-thia-4,8-diaza-10-phosphatridecan-13-oic acid 7,7,10-trioxide
+CCCn1c(c(nc1C2CCN(CC2)C)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CC5	984	cyclopropyl-{4-[5-(3,4-dichlorophenyl)-2-[(1-methyl)-piperidin]-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine
+C[N@]1CCCN(CC1)c2cncc(n2)c3cccc(c3)\C=C\C(=O)O	985	(2e)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid
+C[C@@H]1CC(=O)Nc2ccccc2N1	986	(4r)-4-methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
+C[C@@H](C(=O)N1CCC[C@@H](C1)N)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl	987	n-[(3s)-1-{(2s)-1-[(3s)-3-aminopiperidin-1-yl]-1-oxopropan-2-yl}-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamid e
+c1cc(cc(c1)[N+](=O)[O-])c2cc(cc3c2nccc3)Cc4ccncc4	988	8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline
+CCCCCNC(=O)[C@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)C	989	2-{[4-(2-acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-yl]-oxalyl-amino}-benzoic acid
+C[C@@H](c1ccccc1)N	98B	(1s)-1-phenylethanamine
+COc1ccc(cc1)CNCC(=O)NCc2ccc(cc2)OC	98C	n,n~2~-bis[(4-methoxyphenyl)methyl]glycinamide
+C[C@@H](c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O	98D	1-{6-[(1s)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+Cc1c(cc(cc1NC(=O)c2cnc(nc2)C)Cl)CN3CCN([C@H](C3)C)C(=O)C4CCCC4	98E	(s)-n-(5-chloro-3-((4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl)methyl)-2-methylphenyl)-2-methylpyrimidine-5-carboxamide
+C[C@H](c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O	98G	1-{6-[(1r)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+C[C@H](CC/C=C(\C)/CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C	98H	(5r,10s,13r,14r,17r)-17-((r,e)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthrene-3,7(4h)-dione
+C(CO)C(=O)CC(=O)O	98J	5-hydroxy-3-oxopentanoic acid
+c1ccc2c(c1)[nH]c(n2)Cl	98K	2-chloranyl-1~{h}-benzimidazole
+CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(c(c4)Cl)N5CCN(CC5)C)C(=O)N2CC=C)O	98M	6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+CCS(=O)(=O)c1ccc(nc1)CNC(=O)c2cc3c(nc2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C	98N	(s)-n-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4s)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5h-pyrrolo[3,4-b]pyridine-3-carboxamide
+C[n+]1ccc(c(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl	98P	d-phenylalanyl-n-[(4-chloro-1-methylpyridinium-3-yl)methyl]-l-prolinamide
+COc1cc2cc[nH]c2cc1C(F)(F)F	98Q	5-methoxy-6-(trifluoromethyl)-1~{h}-indole
+CCCCCCCC=CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC/C=C/CCCCCCC	98R	[(2s)-2-[(e)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate
+COC(=O)c1ccc(c(c1)I)O	98T	methyl 3-iodanyl-4-oxidanyl-benzoate
+COC(=O)c1cc(cc(c1)O)C(=O)OC	98W	dimethyl 5-oxidanylbenzene-1,3-dicarboxylate
+c1ccc2c(c1)c(c[nH]2)C#N	98Z	1~{h}-indole-3-carbonitrile
+Cc1c2c(nc(n1)N)C[C@@H](NC2=O)c3ccc(cc3c4cccc(n4)OC)F	990	(7r)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6h)-one
+c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N	991	2-{5-[amino(iminio)methyl]-6-chloro-1h-indol-2-yl}-6-(cyclopentyloxy)benzenolate
+Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl	992	5-[[6-chloranyl-5-(1-methylindol-5-yl)-1h-benzimidazol-2-yl]oxy]-2-methyl-benzoic acid
+CNc1nccn1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl	993	3-chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide
+COc1cc(cc(c1OC)OC)Nc2ncnc(n2)c3cccnc3Nc4ccccc4	994	4-(2-anilinopyridin-3-yl)-n-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
+CC(C)CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)N)C(=O)c1nccs1	995	4-methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide
+CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Cc3c2cn(n3)CC(C)(C)C)(C)C)O	996	n-[(2s,3r)-4-{[(4s)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2h-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide
+C[C@@H](C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]2CCCc3c2cccc3)Oc4ccccc4)C(C)(C)C)NC	997	1-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-4-phenoxy-pyrrolidine-2-carboxylic acid(1,2,3,4-tetrahydro-naphthalen-1-yl)-amide
+C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]2CCCc3c2cccc3)C(C)(C)C)NC	998	n-methylalanyl-3-methylvalyl-n-(1,2,3,4-tetrahydronaphthalen-1-yl)prolinamide
+[C@@H]([C@@H](C(=O)O)O)(C(=O)O)N	999	(3s)-3-hydroxy-d-aspartic acid
+Cc1cc(c(cc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5)C)C(=O)N	99A	n-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
+CC[C@@H](C)Nc1cc(c(cc1C(=O)N)C)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)C5CC5	99B	5-[(2r)-butan-2-ylamino]-n-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide
+Cc1ccc(cc1)C/C(=C\COP(=O)(O)OP(=O)(O)O)/CO	99C	(2e)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate
+CCc1c(c([nH]c1C(=O)NCc2c(ccc3c2c(ccc3)O)O)C)C(=O)C	99E	~{n}-[[2,8-bis(oxidanyl)naphthalen-1-yl]methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(N(C4=O)CC=C)c5cccc(n5)[C@@H](C(F)(F)F)O	99J	6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1s)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+c1cc(c(nc1)Nc2c(cc(cn2)C(F)(F)F)Cl)[N+](=O)[O-]	99K	3-chloranyl-~{n}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@H](C4)O	99L	1-ethyl-6-[(3r)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one
+CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCOCC5)C(=O)N2CC=C)O	99M	1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo [3,4-d]pyrimidin-3-one
+C[C@H](CCC(=O)NCc1ccc(cc1)OCCN2CCOCC2)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OS(=O)(=O)O)C)C	99N	[(3~{s},8~{s},9~{s},10~{r},13~{r},14~{s},17~{r})-10,13-dimethyl-17-[(2~{r})-5-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-oxidanylidene-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{h}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H](C4)O	99O	1-ethyl-6-[(3s)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccnc3)N	99P	d-phenylalanyl-n-(pyridin-3-ylmethyl)-l-prolinamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H](C4)N	99R	6-[(3s)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)C(=O)OC)C#N)C(C)C)C#N)N	99S	methyl 5-{3-[(4s)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate
+C(CC(=O)N[C@@H](CSCCC(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	99T	l-gamma-glutamyl-s-(2-carboxyethyl)-l-cysteinylglycine
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4	99U	1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one
+CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(c(c4)F)N5CCN(CC5)C)C(=O)N2CC=C)O	99V	6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3h-pyrazolo[3,4-d]pyrimidin-3-one
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@@H]4CO	99X	1-ethyl-6-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one
+c1cc(ccc1C[C@H](C(=O)O)N)C(=O)O	99Y	4-carboxy-d-phenylalanine
+Cc1ccccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	99Z	4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc3ccccc3	9A0	2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-n-phenylpropanamide
+c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O	9A3	(2s)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-{[4-(trifluoromethyl)phenyl]methyl}imidazo[1,2-a]pyrazin-3(2h)-one
+C/C=C\CO	9A4	(2z)-but-2-en-1-ol
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N	9A5	(2~{s})-2-azanyl-~{n}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{h}-indol-3-yl)propanamide
+Cc1cc(n[nH]1)Nc2c3ccc(cc3nc(n2)/C=C/c4ccccc4)N5CCN(CC5)C	9A6	7-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]quinazolin-4-amine
+C/C=C/CO	9A7	(2e)-but-2-en-1-ol
+CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	9A8	2-(4-propan-2-yloxyphenyl)-3~{h}-quinazolin-4-one
+COc1ccc(c(c1)OC)C[C@@]2(C(=O)NC(=S)N2)O	9AA	(5s)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one
+c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br	9AB	8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid
+c1ccc2c(c1)c(c3ccccc3n2)C=O	9AC	9-acridinecarbonyl
+CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2N	9AD	9-amino-(n-(2-dimethylamino)ethyl)acridine-4-carboxamide
+C[C@@H](CCCC(C)C)NC(C)C	9AE	(2~{s})-6-methyl-~{n}-propan-2-yl-heptan-2-amine
+CC1=C(C(C(=C(N1)C)C(=O)OC)c2cccc(c2)NC(=O)NCCCN3CCC(CC3)c4cccc(c4)OC)C(=O)OC	9AF	dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
+CNCc1ccc(cc1)Oc2ccccc2	9AG	n-methyl-1-(4-phenoxyphenyl)methanamine
+CCCN(CCC)CCCC#N	9AH	4-(dipropylamino)butanenitrile
+C=CCNC=S	9AI	n-prop-2-en-1-ylthioformamide
+C[C@H]1CN(CCN1c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8	9AJ	2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2s)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2h-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6h)-one
+CC(C)(CNCCO)N	9AK	n1-(2-hydroxyethyl)-2-methyl-1,2-propanediamine
+CC[C@H](c1ccccc1)NC(=O)[C@H]([C@H](C)N)O	9AL	(2s,3s)-3-amino-2-hydroxy-n-[(1r)-1-phenylpropyl]butanamide
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)O	9AM	9-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
+c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O	9AN	2-(3-hydroxyphenyl)-3~{h}-quinazolin-4-one
+CCC(=O)NCCNC(=O)/N=C(\N)/NCCC[C@H](C(=O)NCc1ccc(cc1)O)NC(=O)C(c2ccccc2)c3ccccc3	9AO	n~2~-(diphenylacetyl)-n-[(4-hydroxyphenyl)methyl]-n~5~-(n'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-d-ornithinamide
+c1ccc2c(c1)cc(c3c2cccc3)N	9AP	9-aminophenanthrene
+CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	9AQ	2-(4-ethoxyphenyl)-3~{h}-quinazolin-4-one
+COc1c(ccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O	9AR	9-hydroxy aristolochic acid
+C[C@H]([C@@H](C(=O)N)N)O	9AT	(2s,3r)-2-amino-3-hydroxy-butanamide
+CC(=CCC/C(=C/CC/C(=C/CC1=C(c2ccccc2OC1=O)O)/C)/C)C	9AU	4-oxidanyl-3-[(2~{e},6~{e})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)c4ccccn4	9AW	2-(4-pyridin-2-ylphenyl)-3~{h}-quinazolin-4-one
+C[C@H]1CC=C2[C@H]([C@]1(C)CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)CCCC2(C)C	9AX	(2e)-3-methyl-5-[(1r,2s,8as)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
+Cc1ccc(c(c1)N)N	9AY	4-methylbenzene-1,2-diamine
+CC[C@](C1=C(C(=O)N2Cc3cc4c(cccc4nc3C2=C1)N)CO)(C(=O)O)O	9AZ	(2s)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
+CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C4CCCCCC4)C)O)O	9B0	[(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{r})-6-methyl-6-oxidanyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate
+CC1(Cc2c3c(sc2C1)C(=O)N(CC3)c4cccc(c4CO)C5=CN(C(=O)C(=C5)Nc6ccncn6)C)C	9B1	2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2h-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5h)-one
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCCCC4	9B2	2-(4-piperidin-1-ylphenyl)-3~{h}-quinazolin-4-one
+c1c(cnc(c1Cl)N)C[C@H](C[SeH])C(=O)O	9B3	(2~{s})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid
+C[C@H](COCC(CO)(COC[C@@H](C)OC[C@@H](C)O)COC[C@@H](C)OC[C@@H](C)O)O	9B4	(2r,5r,13r,16r)-9-(hydroxymethyl)-9-{[(2r)-2-hydroxypropoxy]methyl}-5,13-dimethyl-4,7,11,14-tetraoxaheptadecane-2,16-diol
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C)NC(=O)C)O	9B5	(2~{s},4~{r})-1-[(2~{s})-2-acetamidopropanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(on1)C)c2cc3c(c4c(cn3)NC(=O)N4c5ccccc5OC(F)(F)F)nc2OC	9B6	7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6NC=NC7=O)O)O)NC=NC2=O	9B7	3',3'-cdimp
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4COC4)O	9B8	(2~{s},4~{r})-1-[(2~{s})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+[H]/N=C(\NC)/NCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC[C@@](C(=O)N1)(C)NC(=O)C(C)C)c2ccccc2)CC	9BA	n-{(3r,6s,9s,12r)-6-ethyl-12-methyl-9-[3-(n'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide
+C1CC(CCC1C(=O)O)OC(=O)N/C(=C/S)/N	9BB	trans-4-({[(e)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid
+COCCOc1cc2c(cc1OC)c3cc(nc(c3cn2)N)n4ccnc4	9BD	2-(1h-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
+c1ccc(cc1)CNC=S	9BE	n-benzylthioformamide
+CC(=O)CCc1c[nH]c2c1cccc2	9BF	4-(1~{h}-indol-3-yl)butan-2-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N	9BG	2',5'-gpap
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CCC4)O	9BH	(2~{s},4~{r})-1-[(2~{s})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+C1COP(=O)(O[C@@H]2[C@@H](COP(=O)(O[C@H]1[C@H]([C@H](N3C=CC(=O)NC3=O)O)O)O)O[C@H]([C@@H]2O)N4C=CC(=O)NC4=O)O	9BJ	3',3'-cdump
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)NC(=O)C)O	9BK	(2~{s},4~{r})-1-[(2~{s})-2-[(1-acetamidocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/C(=O)OC)O)C=O	9BL	methyl (2e,6e)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-2,6-dimethylocta-2,6-dienoate
+Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC	9BM	4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C(=O)C)O	9BN	(2~{s},4~{r})-1-[(2~{s})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/[C@H](C)OC(=O)C)O)C=O	9BO	(2s,3e,7e)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate
+CC(C)C(=O)N[C@](C)(CCN)C(=O)O	9BP	4-amino-n-(2-methylpropanoyl)-d-isovaline
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C=O	9BR	3-chloro-4,6-dihydroxy-2-methyl-5-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde
+c1ccnc(c1)c2ncccn2	9BS	2-(pyridin-2-yl)pyrimidine
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CO)O	9BT	(2~{s},4~{r})-1-[(2~{s})-3,3-dimethyl-2-(2-oxidanylethanoylamino)butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C(=C/COC(=O)C(C)C)/C)O)C=O	9BU	(2e,6e)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate
+c1ccc2c(c1)c(n3c(n2)nnn3)O	9BV	tetrazolo[5,1-b]quinazolin-9-ol
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CC4)O	9BW	(2~{s},4~{r})-1-[(2~{s})-2-(cyclopropylcarbonylamino)-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(/C)\CC/C=C(/C)\C=C\C(=O)C(C)(C)O)O)C=O	9BX	3-chloro-4,6-dihydroxy-5-[(2z,6z,8e)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde
+c1ccc2c(c1)nc(n2CC(=O)O)c3cscn3	9BY	[2-(1,3-thiazol-4-yl)-1h-benzimidazol-1-yl]acetic acid
+CC1([C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O)C	9BZ	(3~{r},5~{r},7~{a}~{s})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
+CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3	9C0	9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
+C(/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O)Cl	9C1	2-{[(2e)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-d-glucopyranose
+C([C@H]([C@H]([C@@H](C(=O)NN)O)O)O)OP(=O)(O)O	9C2	[(2~{r},3~{r},4~{s})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate
+CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3	9C3	9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2h-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
+C1[C@H]([C@@H](C([C@@H]([C@]1(C(=O)O)O)O)O)O)O	9C4	(2s)-2-hydroxy-3-epiquinic acid
+CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	9C5	2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{h}-quinazolin-4-one
+c1ccc(cc1)Oc2ccc(cc2)C3=CC=CN4C3=NS(=O)(=O)CC4	9C6	9-(4-phenoxyphenyl)-3,4-dihydro-2h-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
+CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	9C8	2-[4-(diethylamino)phenyl]-3~{h}-quinazolin-4-one
+Cn1cc(cn1)c2cccc(c2)NC(=O)CN3C/C(=N/N(C)C)/NC[C@H](C3=O)Cc4c(cccc4Cl)Cl	9C9	2-[(3z,6r)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-n-[3-(1-methyl-1h-pyrazol-4-yl)phenyl]acetamide
+c1ccc2c(c1)c3ccccc3[nH]2	9CA	9h-carbazole
+CN(CCO)c1ccc(cc1)C2=Nc3cc(ccc3C(=O)N2)Cl	9CB	7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{h}-quinazolin-4-one
+C[C@@H]1CCC[C@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	9CC	(3r)-6,8-dihydroxy-3-{[(2s,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one
+C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O	9CD	2-{[(2e)-but-2-enoyl]amino}-2-deoxy-beta-d-glucopyranose
+c1ccc(c(c1)C2=Nc3ccccc3C(=O)N2)N	9CE	2-(2-aminophenyl)-3~{h}-quinazolin-4-one
+C[C@@H]1CCC[C@@H](O1)C[C@@H]2Cc3cc(cc(c3C(=O)O2)O)O	9CF	(3s)-6,8-dihydroxy-3-{[(2r,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one
+c1cc2cccc3c2c(c1)COC3=O	9CG	1h,3h-naphtho[1,8-cd]pyran-1-one
+CN1c2c(n(c(n2)N3CCNCC3)Cc4nnc(o4)c5ccc(c(c5)Cl)Cl)C(=O)N(C1=O)C	9CH	7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione
+COc1cccc(c1)CC(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O	9CJ	2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
+c1ccc(c(c1)N2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br	9CK	1-[(4-aminophenyl)methyl]-3-[2-[2-(2-bromophenyl)pyrazolidin-1-yl]-2-oxidanylidene-ethyl]urea
+c1ccc(cc1)CCl	9CL	(chloromethyl)benzene
+CC1=C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N	9CM	(2s,5r)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCO[C@]34C5=[N]6C(=CC=C5)C7=[N]([Co]68([N]9=CC=CC=C9C1=CC=CC3=[N]81)([N]1=CC=CC=C41)[O])C=CC=C7)NC(=O)N2	9CO	[cobr(appy)-biot]br
+CC1=C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N	9CP	(2s,5r)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide
+CN(C)C(=O)Cc1ccc(cc1)c2c3ccccc3nc(n2)N	9CQ	2-[4-(2-aminoquinazolin-4-yl)phenyl]-n,n-dimethyl-acetamide
+CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C	9CR	(9cis)-retinoic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N	9CS	(1r,2s,3s,4r,6s)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-d-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside
+CCC(=O)Nc1ccccc1C(=O)Nc2cc(n[nH]2)CCc3cc(cc(c3)OC)OC	9CT	~{n}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{h}-pyrazol-5-yl]-2-(propanoylamino)benzamide
+C[C@@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	9CU	(3r)-6,8-dihydroxy-3-{[(2r,6r)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one
+CNC(=O)c1cc(c(nc1)NC2CCN(CC2)c3ccccn3)NCc4ccc(c(c4)Oc5ccccc5)F	9CV	5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{n}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide
+C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@@H]4CC[C@H](O4)C(C)(C)O	9CW	(1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{s},5~{s})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+C[C@H]1CCC[C@@H](O1)C[C@@H]2Cc3cc(cc(c3C(=O)O2)O)O	9CX	(3s)-6,8-dihydroxy-3-{[(2r,6s)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1h-2-benzopyran-1-one
+c1ccc(cc1)C[C@@H](CO)NC(=O)c2ccc(cc2)c3ccncc3	9CY	n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide
+C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@@H]4CC[C@@H](O4)C(C)(C)O	9CZ	(1~{r},3~{s},5~{z})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-7~{a}-methyl-1-[(1~{s})-1-[(2~{s},5~{r})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+CCCCCCCCNCc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3	9D0	n-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+c1cc(cc(c1)O)CN(CCN2CCCC2)c3nc4ccc(cc4s3)c5ccncc5	9D1	3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol
+CCC(CO)(CO)CO	9D2	2-ethyl-2-(hydroxymethyl)propane-1,3-diol
+CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3	9D3	n-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+c1cc(cc(c1)F)CNc2nc3ccc(cc3s2)c4ccncc4	9D4	n-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine
+CN(CCO)c1ccc(cc1)C2Nc3ccccc3C(=O)N2	9D5	2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{h}-quinazolin-4-one
+CCN(Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3)C4CCCCC4	9D6	n-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
+c1ccc(cc1)C2=C3C=CC4=CC5=[N]6C(=C(c7ccc8n7[Zn]6(N43)[N]9=C2C=CC9=C8)c1ccc(cc1)C(=O)O)C=C5	9D7	[4-(15-phenylporphyrin-5-yl-kappa~4~n~21~,n~22~,n~23~,n~24~)benzoato(2-)]zinc
+CCCN(Cc1ccccc1)C(=O)c2ccc(cc2)S(=O)(=O)Nc3cccc(c3)Cl	9D8	4-[(3-chlorophenyl)sulfamoyl]-~{n}-(phenylmethyl)-~{n}-propyl-benzamide
+c1c(c2c([nH]1)C(=O)NC(=N2)N)CCCCC(F)(F)P(=O)(O)O	9D9	[5-(2-amino-4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-1,1-difluoropentyl]phosphonic acid
+c1c[nH]c2c1ncnc2N	9DA	9-deazaadenine
+Cn1cc(cn1)c2c3c4c(cc(cc4[nH]2)NC(=O)[C@@H](C5CCCCC5)N)C(=O)NN=C3	9DB	(2~{r})-2-azanyl-2-cyclohexyl-~{n}-[2-(1-methylpyrazol-4-yl)-9-oxidanylidene-3,10,11-triazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13),11-pentaen-6-yl]ethanamide
+C([C@@H](CS)S)O	9DC	(2s)-2,3-disulfanylpropan-1-ol
+c1cc(ccc1NS(=O)(=O)c2ccc(cc2)Br)S(=O)(=O)N	9DE	4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide
+c1c[nH]c2c1N=C(NC2=O)N	9DG	9-deazaguanine
+CN(CC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2ccccc2	9DH	2-[methyl(phenyl)amino]-~{n}-(4-sulfamoylphenyl)ethanamide
+c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	9DI	9-deazainosine
+CN(c1ccccc1)c2ccc3c(c2)CCC[C@H]3CNc4cnccc4C(=O)O	9DJ	3-[({(1r)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid
+CC(C)(C(=O)NCCc1c[nH]cn1)C(=O)O	9DK	3-[2-(1~{h}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O	9DN	dansyl-l-asparagine
+CC(C)(C)c1cc(n(n1)c2ccc3c(c2)C[C@H](NC3)C(=O)O)NC(=O)Nc4cccc(c4Cl)Cl	9DP	(3s)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
+C(c1[nH]nnn1)[C@@H](C(=O)O)N	9DQ	(2~{s})-2-azanyl-3-(1~{h}-1,2,3,4-tetrazol-5-yl)propanoic acid
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccncc3	9DR	6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
+CN(C)c1cccc2c1cccc2S(=O)(=O)[N@@](C)CC(=O)O	9DS	dansyl-l-sarcosine
+C[C@](Cc1ccccc1F)(C(=O)O)N	9DT	(2~{s})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid
+C[C@@H](CS)C(=O)NCc1ccccc1	9DU	(2r)-2-methyl-n-(phenylmethyl)-3-sulfanyl-propanamide
+CCc1cc(ccc1c2ccc(cc2)C[C@@H](C(=O)O)N)OC	9DW	(2~{s})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid
+C1CO[C@@H]2C[C@](O[C@@H]2[C@@H]1O)(C[C@@H](C(=O)O)N)C(=O)O	9DX	(2r,3ar,7r,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-7-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
+c1cnccc1c2csnn2	9DY	4-(1,2,3-thiadiazol-4-yl)pyridine
+Cc1cc(cc(c1)CCC[C@@H](C(=O)N)N)C	9DZ	(2~{s})-2-azanyl-5-(3,5-dimethylphenyl)pentanamide
+C[C@H]1c2c[nH]c3c2c(ccc3)S[C@H]1C(=O)O	9E0	(5~{s},6~{r})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid
+CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)S(=O)(=O)N	9E1	2-methoxy-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide
+Cc1c(c(nn1CC(=O)Nc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-])Cl	9E2	2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{n}-(4-sulfamoylphenyl)ethanamide
+c1cc2c(ccc(c2nc1)O)Cn3cc(nc3)F	9E3	5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol
+CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)C(=O)NC	9E4	4-methoxy-n~1~-methyl-n~3~-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide
+Cc1ccc2c(c(oc2c1C)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C	9E5	3,6,7-trimethyl-~{n}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide
+c1c(csc1Cl)C(=O)O	9E6	5-chloro thiophene-3-carboxylic acid
+C(CCNCS)C[C@@H](C(=O)O)N	9E7	n~6~-(sulfanylmethyl)-l-lysine
+c1cc(ccc1CCNC(=O)Nc2ccc(cc2)Cl)S(=O)(=O)N	9E8	1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
+c1cc(sc1C(=O)O)Cl	9E9	5-chloro thiophene-2-carboxylic acid
+Cc1c(c(nn1C)COc2ccc(cc2)N3CCN(CC3)C(=O)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)Cc8cccnc8	9EA	7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1h-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1h-indole-2-carboxylic acid
+C[C@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl	9EB	4-chloranyl-~{n}-[(1~{r})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide
+C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)Nc4ccc(cc4c5cccs5)F)C	9EC	(1r,2r,4s,5s,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium
+C(CCC(=O)N)CC(=O)N	9EE	adipamide
+CC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	9EF	n-[2-(acetylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl	9EG	n-(4-chlorophenyl)-n'-(3,4-dichlorophenyl)urea
+c1ccc2c(c1)cccc2NC(=O)c3cc(cnc3)N	9EI	5-amino-n-(naphthalen-1-yl)pyridine-3-carboxamide
+CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)N2CC[C@H]2C(=O)NC)c3cnn4c3nc(cc4)c5cccs5	9EJ	n-[(2s)-2-(diethylamino)propyl]-2-[(2s)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide
+CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCC5	9EK	~{n}-methyl-~{n}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-pyrrolidin-1-ylcarbonyl-2~{h}-indazole-5-carboxamide
+COc1cc2c(ccc3c2C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N)cc1C#N	9EL	(2s,3r)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1h-naphtho[2,1-b]pyran-8-carbonitrile
+CC(=O)N1CCN(C(=O)C1(C)C)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5CC(F)(F)F	9EM	4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1h-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCSCC3	9EN	~{n}-[[(5~{s})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide
+c1ccc(cc1)[C@@H](CO)NC(=O)c2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]ccn5)/C(=O)N3	9EO	(3z)-n-[(1s)-2-hydroxy-1-phenylethyl]-3-[(1h-imidazol-2-yl)(phenyl)methylidene]-2-oxo-2,3-dihydro-1h-indole-5-carboxamide
+CC(=O)OCC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O	9EP	(2r)-5-[(acetyloxy)methyl]-2-{(1r)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CC(=O)c1c(cccc1O)O	9EQ	1-[2,6-bis(oxidanyl)phenyl]ethanone
+CC(C)c1cc(c(c(c1)C(C)C)c2csc(n2)N(CCN(C)C)Cc3cccnc3)C(C)C	9ER	n1,n1-dimethyl-n2-[(pyridin-3-yl)methyl]-n2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine
+CCC(=O)Nc1cc(ccc1Nc2cc(ncn2)N(C)C(=O)Nc3c(c(cc(c3Cl)OC)OC)Cl)N4CCN(CC4)CC	9ES	n-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide
+Cc1cc2c3ccc(cc3[nH]c2c4c1O[C@@](C=C4)(C)COC(=O)C)O	9ET	murrayamine-i
+Cc1nc2cnccc2n1Cc3ccc(cc3F)C(=O)c4cn(c5c4c(ccc5)C#C)C(=O)N(C)C	9EU	4-ethynyl-3-{3-fluoro-4-[(2-methyl-1h-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-n,n-dimethyl-1h-indole-1-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)[C@@H]2N(CC(=O)O2)CCCC[C@@H](C(=O)O)N)O	9EV	6-[(2r)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-l-norleucine
+c1ccc2c(c1)c(no2)O	9EW	1,2-benzoxazol-3-ol
+C[C@@H](CO)CS	9EX	(2s)-2-methyl-3-sulfanyl-propan-1-ol
+COC(=O)Nc1ccc-2c(c1)NC(=O)CCCC[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	9EY	methyl [(7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
+Cn1c(cc(n1)c2ccccc2)N	9EZ	2-methyl-5-phenyl-pyrazol-3-amine
+c1cc(ccc1c2cc[n+](cc2)[Pt]34[NH2+]CC[NH+]3CC[NH2+]4)N(c5ccc(cc5)c6cc[n+](cc6)[Pt]78[NH2+]CC[NH+]7CC[NH2+]8)c9ccc(cc9)c1cc[n+](cc1)[Pt]12[NH2+]CC[NH+]1CC[NH2+]2	9F0	4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-n,n-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline
+Cc1cc(c(c(c1)F)C(=O)N[C@H]2C/C=C/[C@@H](CC(=O)Nc3cc(ccc3-c4c([nH]c2n4)Cl)NC(=O)OC)C)F	9F1	methyl [(4r,5e,8s)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O	9F2	ceftriaxone
+C1[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H](O[C@]3(O1)CO)CO)O	9F3	(2r,3's,4's,4ar,5'r,6r,7r,7as)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane ]-3',4',7-triol
+c1ccc(cc1)[C@@H]2[C@H]([C@@H]2C(=O)NO)c3ccc(cc3)c4ncc(cn4)F	9F4	(1r,2r,3r)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide
+c1ccc(cc1)Oc2cccc(c2)[C@@H](C(=O)O)O	9F5	(2~{s})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid
+c1ccc(c(c1)C(=O)/C=C/c2cccnc2)O	9F6	(2e)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one
+CC[C@@H]1CCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	9F7	methyl [(3r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate
+Cc1cn(c2c1cccc2)CCC(=O)O	9F8	3-(3-methylindol-1-yl)propanoic acid
+CN1c2cc(c(cc2N(C1=O)C)N3CCCCC3)NC(=O)c4ccccc4OC	9F9	n-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1h-benzimidazol-5-yl]-2-methoxybenzamide
+C[C@@H]\1CC(=O)Nc2cc(ccc2-c3c[nH]c(n3)[C@H](C/C=C1)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)NC(=O)OC	9FA	methyl [(4r,5e,8s)-8-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+C1C[C@@H]([C@@H](C1)N)C(=O)O	9FB	(1~{s},2~{r})-2-azanylcyclopentane-1-carboxylic acid
+Cc1cccc(c1)Nc2c(cc(c(n2)N[C@@H]3CCCC[C@@H]3N)C#N)C(=O)N	9FC	6-{[(1r,2s)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide
+C[C@H]1CCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3NC(=O)C1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	9FD	methyl [(4s,8s)-8-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+c1cc2c(cc1C(=O)O)c(n[nH]2)Br	9FE	3-bromanyl-1~{h}-indazole-5-carboxylic acid
+Cn1c(ccc1c2ccc(cc2F)O)C#N	9FG	5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1h-pyrrole-2-carbonitrile
+Cc1c(cnn1c2ccccc2)C(=O)O	9FH	5-methyl-1-phenyl-pyrazole-4-carboxylic acid
+COc1ccc2c(c1)CCC[C@H]2CNc3cnccc3C(=O)O	9FJ	3-({[(1r)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid
+c1ccc2c(c1)cccc2n3cc(nn3)c4ccc(s4)S(=O)(=O)N	9FK	5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide
+c1ccc-2c(c1)Cc3c2cccc3	9FL	9h-fluorene
+CCCCCCOCCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1non2)NC	9FM	n-{2-[2-(hexyloxy)ethoxy]ethyl}-n~2~-methyl-n~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
+c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)O	9FN	2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	9FO	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1OS(=O)(=O)O2)O)O)O)O	9FQ	(3~{a}~{s},4~{r},5~{s},6~{r},7~{r},7~{a}~{r})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol
+CC1=C2[C@](C[C@@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3(O2)C)(C)C)C)(C5=C(C1=O)C(=O)OC5)C	9FR	(6as,8ar,12as,12br,13ar)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,11,12,12a,12b,13,13a-decahydro-3h-benzo[a]furo[3,4-j]xanthene-3,4,10(1h,6ah)-trione
+CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3[C@H]4[C@@H]3CN(C4)C5COC5	9FS	5-{5-[(1r,5s,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1h-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine
+COc1ccc(cc1)[C@H]2CCC(=O)NC2=O	9FT	(3r)-3-(4-methoxyphenyl)piperidine-2,6-dione
+CC1=C2[C@](CC3[C@@](O2)(CC[C@@H]4[C@@]3(C=CC(=O)C4(C)C)C)C)(C5=C(C1=O)C(=O)OC5)C	9FU	(6as,8ar,12as,12br,13ar)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,12a,12b,13,13a-octahydro-3h-benzo[a]furo[3,4-j]xanthene-3,4,10(1h,6ah)-trione
+CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3CCN(CC3)C4COC4	9FV	5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1h-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine
+c1cc(cc(c1)F)C(=O)N/N=C/c2ccc(o2)Sc3ncccn3	9FX	3-fluoro-n'-[(e)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide
+Cc1cn(nn1)CCC[C@@H](C(=O)O)N	9FZ	(2~{s})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid
+c1ccc(c(c1)c2cccc(c2O)O)N	9G0	2'-amino[1,1'-biphenyl]-2,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC[C@@H](C(C5)C(=O)N)[P+](CCC(=O)O)(CCC(=O)O)CCC(=O)O)O)O)O)OP(=O)(O)O)N	9G1	[(4~{s})-3-aminocarbonyl-1-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]piperidin-4-yl]-tris(3-hydroxy-3-oxopropyl)phosphanium
+CCc1cn(nn1)CCC[C@@H](C(=O)O)N	9G2	(2~{s})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid
+c1c2c(cc(c1F)Cl)N=CN(C2=O)CC(=O)C[C@@H]3CCCCN3	9G3	7-chloro-6-fluoro-3-{2-oxo-3-[(2s)-piperidin-2-yl]propyl}quinazolin-4(3h)-one
+CC(=O)NCc1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl	9G4	1-{4-[(acetylamino)methyl]phenyl}-4-(4-chlorophenoxy)-6-oxo-1,6-dihydropyridazine-3-carboxamide
+CN1CCCN(CC1)C(=O)c2cccc(c2)c3ccc(o3)/C=C/4\c5cc(ccc5NC4=O)Cl	9G5	(3~{e})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{h}-indol-2-one
+COc1cc2c(cc1OCCNc3nc4ccccc4s3)c(ncn2)N5CCOCC5	9G6	n-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine
+CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)CC4CCNCC4)O	9G7	methyl [(4s)-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxy-4-{(3r)-1-[(piperidin-4-yl)acetyl]piperidin-3-yl}butyl]carbamate
+C[C@H](Cc1ccc2c(c1)OCO2)[C@@H](C)Cc3ccc4c(c3)OCO4	9G9	5,5'-[(2r,3s)-2,3-dimethylbutane-1,4-diyl]bis(2h-1,3-benzodioxole)
+Cc1cn2c(c(cn2)C(=O)N[C@@H](c3ccc(cc3)OC(F)(F)F)C(C)(C)O)nc1n4cnc(n4)C	9GA	n-{(1s)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1h-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CCC/C(=C/COP(=O)(O)O)/C	9GB	[(~{e})-3-methylhex-2-enyl] dihydrogen phosphate
+c1cc(ccc1CN(C2CCCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(c(c4)N)C(=O)O)CC5CCNCC5)Cl	9GD	2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid
+CC(C)CCCCCCCCC/C=C/C(=O)O	9GE	(~{e})-13-methyltetradec-2-enoic acid
+CCCCCCC(C)(C)c1ccc(c(c1)O)[C@@H]2C[C@@H](CC[C@H]2CCCO)O	9GF	2-[(1r,2r,5r)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
+CCN(CC)c1nc2c(c(c(c(c2s1)n3cccc3)I)O)C(=O)O	9GH	2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid
+COC[C@H](c1ccc(c(c1)F)OC(F)(F)F)NC(=O)N2CC(=O)Nc3c2ncc(c3)OC	9GJ	n-{(1s)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1h)-carboxamide
+c1ccc(cc1)CCOc2cc(c(c(c2n3cccc3)I)O)C(=O)O	9GK	3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid
+CCc1c2cc(ccc2[nH]c1C(=O)NCCc3ccc(cc3)N4CCCCC4)Cl	9GL	5-chloro-3-ethyl-n-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1h-indole-2-carboxamide
+c1nc2c(n1[C@H]3[C@H]([C@@H]([C@@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N	9GM	2-amino-9-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-l-xylofuranosyl}-1,9-dihydro-6h-purin-6-one
+CCCSc1cc(c(c(c1n2cccc2)I)O)C(=O)O	9GN	3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CO)O)O)O)O	9GP	n-(hydroxyacetyl)-beta-d-glucopyranosylamine
+CCCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O	9GQ	5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
+CCS(=O)(=O)c1ccc(cc1)CNC(=O)N2CC3(CCCC3)c4c2ccc(n4)c5c(ncnc5OC)C6CC6	9GS	5'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-n-{[4-(ethylsulfonyl)phenyl]methyl}spiro[cyclopentane-1,3'-pyrrolo[3,2-b]pyridine]-1'(2'h)-carboxamide
+C=CCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O	9GT	3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid
+c1cc(ccc1C(F)(F)F)N2CCN(CC2)C(=O)n3ccnn3	9GU	(1h-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
+CNS(=O)(=O)c1ccc(cc1)CNC(=O)c2cnc(c3c2cnn3c4ccc(cc4)F)OC	9GV	1-(4-fluorophenyl)-7-methoxy-n-{[4-(methylsulfamoyl)phenyl]methyl}-1h-pyrazolo[3,4-c]pyridine-4-carboxamide
+CCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O	9GW	3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid
+COc1ccccc1N2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3	9GX	2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3h)-one
+C[C@H]1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4	9GY	3-[(2s)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-n-methylbenzamide
+c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)c3ccc(cc3)F	9GZ	5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
+c1ccn(c1)c2c(cc(c(c2I)O)CO)I	9H2	6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol
+c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2	9H3	1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2h-spiro[1-benzofuran-3,4'-piperidin]-2-one
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6(CC6)C	9H4	tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CN1CCN(CC1)C(=O)c2cc(c(c(c2O)I)n3cccc3)I	9H5	[3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone
+CN1c2ccccc2C3(C1=O)CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4	9H6	1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1h)-one
+CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccccc5n4)c6cccs6)C(=O)NS(=O)(=O)C7CC7	9H7	tert-butyl [(2r,6s,12z,13as,14ar,16as)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+C1C[C@H](NC1)CNS(=O)(=O)C(F)(F)F	9H8	1,1,1-tris(fluoranyl)-~{n}-[[(2~{s})-pyrrolidin-2-yl]methyl]methanesulfonamide
+c1c(cc(c2c1N(CC23CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CCO)F)F	9H9	2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3h)-one
+COC(=O)CCC(=O)OC	9HB	dimethyl fumarate
+Cc1c(c(c(cn1)COP(=O)([O-])[O-])CCC(=O)c2ccc(cc2)Br)O	9HC	[4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate
+C1CC(=O)N(C1)CC[C@H](C[C@@H](C[C@@H](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O	9HD	1-[(3r,5s,7r)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2h-pyrrol-2-one
+c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N	9HE	1-cyclopentyl-3-(1~{h}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1cc2c(cc1n3c4ccc(cc4nn3)C(=O)O)C(CCC2(C)C)(C)C	9HF	1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid
+CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCC4)OC)OC	9HG	n~2~-cyclopentyl-6,7-dimethoxy-n~2~-methyl-n~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
+CS(=O)(=O)Nc1ccccc1c2cccc3c2[nH]c4c3cccc4	9HH	~{n}-[2-(9~{h}-carbazol-1-yl)phenyl]methanesulfonamide
+CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)S(=O)(=O)Nc4ccc(cc4)C(=O)N	9HI	(3r,5r)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1h-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid
+CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC	9HJ	6,7-dimethoxy-n~2~-methyl-n~4~-(1-methylpiperidin-4-yl)-n~2~-propylquinazoline-2,4-diamine
+c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-]	9HK	4-[(4-nitrophenyl)methyl]benzenesulfonamide
+c1cc(cc(c1)F)[C@@H]2C[C@H]2CNCCc3ccnc(n3)n4ccnc4	9HL	n-{[(1r,2r)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethanamine
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC	9HN	~{tert}-butyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate
+CCCCC\C=C/C=C/[C@H](CCCCCCCC(=O)O)O	9HO	(9s,10e,12z)-9-hydroxyoctadeca-10,12-dienoic acid
+c1cc2c(cc(cn2)c3ccc(cc3)O)c4c1ccnc4	9HP	9-(4-hydroxyphenyl)-2,7-phenanthroline
+CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C	9HQ	(2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-propanamide
+CCc1cc(c(cc1c2cc3cnc(nc3c(c2)N[C@@H](C)CO)NCCCCCN(C)C)F)O	9HR	4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{s})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol
+C[C@@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)Cl)O)c4ccccc4	9HS	7-chloro-3-({4-hydroxy-1-[(3s)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3h)-one
+CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)NCC	9HT	(2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-butanamide
+CC(=O)Oc1ccccc1S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O	9HU	2-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl]phenyl acetate
+C(CP(=O)(O)O)N1[C@@H]([C@H]([C@@H]([C@H]1CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CO	9HV	{2-[(2r,3r,4r,5r)-3-(alpha-d-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid
+CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C	9HW	(2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-propanamide
+c1c[nH]c2c1N=CNC2=O	9HX	9-deazahypoxanthine
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)C)C#N	9HY	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylacetamide
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC)c4ccc(cc4)Cl)OC	9HZ	methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate
+CCc1cc(c(cc1c2cc3cnc(nc3c(c2)N[C@@H](C)CO)N)F)O	9I2	4-[2-azanyl-8-[[(2~{s})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol
+COc1cc(cc2c1nc(nc2)N)c3ccc(cc3)O	9I5	4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol
+[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F	9I7	(1r,2s,5s)-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-(trifluoroacetyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
+Cn1cc(cn1)Nc2ncc3cc(cc(c3n2)OC)c4ccc(cc4)O	9I8	4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4cccc(c4)C(=O)O	9IB	3-[(5s,8r)-5-(dimethylcarbamoyl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid
+Cn1cc(cn1)Nc2c(nc(cn2)C3=CCC[C@H](C3)NC(=O)c4ccccc4)C(=O)N	9ID	6-[(5r)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1h-pyrazol-4-yl)amino]pyrazine-2-carboxamide
+C[C@H](c1cccc(c1)OC)NCCCc2ccccc2Cl	9IG	3-(2-chlorophenyl)-n-[(1r)-1-(3-methoxyphenyl)ethyl]propan-1-amine
+c1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3	9IK	~{n}-(4-phenoxyphenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+CC1(c2ccc(cc2N(C1=O)Cc3c(cccc3Cl)F)C(=O)NCc4c(cc(cc4F)F)F)C	9IM	1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-n-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1h-indole-6-carboxamide
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)c2ccoc2	9IN	n-(3-furoyl)-d-valyl-l-valyl-n~1~-((1r,2z)-4-ethoxy-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-d-leucinamide
+COc1ccc(cc1)Nc2c3cc[nH]c3ncn2	9IO	~{n}-(4-methoxyphenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+COc1cc(cnc1)c2cccc(c2)CNc3cccnc3N	9IP	n~3~-[3-(5-methoxypyridin-3-yl)benzyl]pyridine-2,3-diamine
+COc1ccc(cc1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3	9IS	~{n}-[4-(4-methoxyphenoxy)phenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+c1ccc(c(c1)Oc2ccc(cc2)Nc3c4cc[nH]c4ncn3)Cl	9IV	~{n}-[4-(2-chloranylphenoxy)phenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(cc3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	9IY	[(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate
+Cc1cc(ccc1n2c3c(c(ccn3)n4cc(nc4)c5cnn(c5)C)c(n2)C(C)C)C(=O)N	9J0	3-methyl-4-{4-[4-(1-methyl-1h-pyrazol-4-yl)-1h-imidazol-1-yl]-3-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridin-1-yl}benzamide
+CCC(=O)N(C)c1cc(c(c2c1ccc(c2)C#N)C)Oc3ccccc3OCCN4C=CC(=O)NC4=O	9J1	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylpropanamide
+Cc1nnc2n1-c3cc(ccc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC	9J2	methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate
+CCOC(=O)CCC(=O)O	9J3	4-ethoxy-4-oxobutanoic acid
+C[C@@]1(CC[C@H](C1(C)C)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)N	9J4	4-{[(1r,3s)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
+CC[C@H]([C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC	9J5	methyl (2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate
+CCOC(=O)CCCCC(=O)O	9J6	6-ethoxy-6-oxohexanoic acid
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3F)F)C	9J7	1-(2,3-difluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+CCNC(=O)[C@H](CC=C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C	9J8	(2~{r})-2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{n}-ethyl-pent-4-enamide
+B1(c2cc(ccc2CNN1S(=O)(=O)CC)Oc3ccc(cc3/C=N/O)C(F)(F)F)(O)O	9JA	(~{n}~{e})-~{n}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine
+C[C@H](COCC(CO)(COC[C@@H](C)O)COC[C@H](C)O)O	9JB	3-[(2~{r})-2-oxidanylpropoxy]-2-[[(2~{r})-2-oxidanylpropoxy]methyl]-2-[[(2~{s})-2-oxidanylpropoxy]methyl]propan-1-ol
+CCc1cccc(c1)c2c(cccc2F)[C@](CCCNC(=O)OC)([C@@H]3CCCN(C3)C(=O)C[C@@H](CN)O)O	9JD	methyl [(4s)-4-{(3r)-1-[(3s)-4-amino-3-hydroxybutanoyl]piperidin-3-yl}-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxybutyl]carbamate
+C(CCO)CCO	9JE	pentane-1,5-diol
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccccc4O	9JF	n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)-2-hydroxybenzene-1-sulfonamide
+CCNC(=O)Nc1cc2c(ccc(c2cn1)CNC(=O)OCC#C)c3ccncc3	9JG	prop-2-ynyl ~{n}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate
+c1ccc(cc1)Cc2ccc(cc2)C(=O)N	9JH	4-benzylbenzamide
+B1(c2cc(ccc2CO1)Oc3ccc(cc3)C(F)(F)F)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O	9JJ	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{h}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1ccc(cc1)NC(=O)c2ccccc2S	9JK	~{n}-phenyl-2-sulfanyl-benzamide
+B1(c2ccc(cc2CO1)Oc3ccc(cc3/C=N/O)C#N)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O	9JM	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{e})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{h}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1ccc(cc1)[C@@H](CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4	9JN	~{n}-[(1~{s})-2-azanyl-1-phenyl-ethyl]-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
+CCC(=O)NC1CCC(CC1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)CN(C2=O)c6ccccc6Cl	9JO	n-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]cyclohexyl}propanamide
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CF)C#N	9JP	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-2-fluoro-n-methylacetamide
+CN(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O	9JQ	2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol
+CCCCOc1nc(c2c(n1)N(CC(=O)N2)Cc3cccc(c3)CN4CCCC4)N	9JR	4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
+Cc1ccc(cc1O)NC2=NSN=C(C2=O)Nc3ccc(cc3)C(=O)N	9JS	4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4h-1,2,6-thiadiazin-3-yl}amino)benzamide
+c1ccc(cc1)NC(=O)c2ccccc2[SeH]	9JT	~{n}-phenyl-2-selanyl-benzamide
+Cc1c(n(nc1C(=O)NC23CC4CC(C2)CC(C4)C3)CCCCCO)c5ccccc5	9JU	n-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1h-pyrazole-3-carboxamide
+C=C(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O	9JW	2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol
+c1ccc(c(c1)c2cccc(c2)N3C[C@@H](CC3=O)N4CCN(CC4)C(=O)c5nccs5)Cl	9JX	(4r)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
+CCS(=O)(=O)N1CCC[C@H](C1)C[C@@H](CO)Nc2c3ncc(n3ccn2)c4ccc(cc4)C	9JY	(2s)-3-[(3s)-1-(ethylsulfonyl)piperidin-3-yl]-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}propan-1-ol
+C[C@H]1CCN([C@@H]1C(=O)Nc2ccccc2c3ncccn3)C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC	9JZ	(3s)-1-{(2s)-2-cyclohexyl-2-[(n-methyl-l-alanyl)amino]acetyl}-3-methyl-n-(2-pyrimidin-2-ylphenyl)-l-prolinamide
+C[C@H](CCC(=O)C=C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	9K0	(6r)-6-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]hept-1-en-3-one
+Cc1ccc(cc1)c2cnc3n2ccnc3N[C@@H](Cc4cccnc4)CO	9K1	(2s)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol
+Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F	9K2	1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{h}-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine
+CCNCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N	9K3	1-{4-amino-2-[(ethylamino)methyl]-1h-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol
+CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CN1CCN(CC1)C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N	9K4	2-{4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-n-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide
+c1cc(cc(c1)S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	9K5	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate
+C[C@H]1CNCCCN1S(=O)(=O)c2cccc3c2ccnc3	9K6	5-[[(2~{s})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)CCl)C#N	9K7	2-chloro-n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylacetamide
+CCc1ccc(cc1S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	9K8	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)NC(=NC2=O)N	9K9	2-amino-9-[(2s,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2h-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6h-purin-6-one
+c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)F	9KB	1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)NC(=O)C=C)C#N	9KD	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide
+c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)Cl	9KE	1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one
+CCOC(=O)[C@@H](C)c1cccc(c1)C(=O)c2ccccc2	9KF	ethyl (2s)-2-[3-(benzenecarbonyl)phenyl]propanoate
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)N(C)C(=O)C=C)C#N	9KG	n-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-n-methylprop-2-enamide
+Cc1c(cc(nc1CC(=O)O)O)O	9KH	6-carboxy methyl-4-hydroxy-2-pyridinol
+C([C@@H]1[C@H]([C@@H]([C@H](N1CP(=O)(O)O)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	9KJ	{[(2r,3r,4r,5r)-3-(alpha-d-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid
+CCCC[C@@H](C(=O)O)NC	9KK	n-methyl norleucine
+C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O	9KL	(2s)-2-[3-(benzenecarbonyl)phenyl]propanoic acid
+Cc1ccc(cc1N2Cc3cnc(nc3N(C2=O)C)Nc4ccc(nc4)N5CCN(CC5)C(=O)C)NC(=O)c6cccc(c6)C(F)(F)F	9KO	n-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2h)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
+c1ccc(c(c1)/C=C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O)C(=O)O	9KP	(e)-n~6~-[(2e)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-l-lysine
+c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4	9KQ	2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline
+C/C=C/C(=O)CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	9KR	(e,7r)-7-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-2-en-4-one
+CC(=O)Nc1ccccc1O	9KS	n-(2-hydroxyphenyl)acetamide
+CN1c2ccccc2N(C(=O)C1=O)C	9KT	1,4-dimethylquinoxaline-2,3-dione
+c1ccc2c(c1)cccc2OCC(=O)N3CCC[C@H]3C4=NC(=C(C(=O)N4)O)C(=O)O	9KU	5-hydroxy-2-[(2s)-1-{[(naphthalen-1-yl)oxy]acetyl}pyrrolidin-2-yl]-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+c1ccc(cc1)c2ccc(s2)c3nc4ccccc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6	9KV	(2s)-n,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1h-benzimidazol-1-yl]acetamide
+CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCOCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5	9KW	~{n}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
+C/C=C/C=C/C(=O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	9KX	(2s)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-4,6-diene-3-one
+c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)CO	9KY	(2s)-n,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1h-benzimidazol-1-yl}acetamide
+CCOC(=O)c1c(c2ccccc2nc1C)C	9KZ	ethyl 2,4-dimethylquinoline-3-carboxylate
+C[C@H](CCC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C	9L1	5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid
+c1ccc(cc1)c2c[nH]c(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N	9L2	(2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{h}-imidazol-2-yl)oxane-3,4-diol
+Cc1c[n+](cnc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	9L3	[(2r,3s,5r)-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5Cl)C(=O)O)F)F)Cl	9L4	3-chloro-4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
+CCN1c2ccc(cc2N=C(C1=O)C)C(=O)N[C@@H](C)c3cnn(c3C)C	9L5	~{n}-[(1~{s})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide
+c1ccc(cc1)C(=O)c2ccc(cc2)c3nc4ccccc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6	9L7	(2s)-2-{2-[4-(benzenecarbonyl)phenyl]-1h-benzimidazol-1-yl}-n,2-dicyclohexylacetamide
+c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N	9L8	(2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{h}-1,2,4-triazol-5-yl)oxane-3,4-diol
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N	9L9	(2s)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1h-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid
+c1cc(ccc1c2nc3cc(c(cc3n2[C@H](COc4ccc(cc4)C(=O)O)C5CCCCC5)F)F)Cl	9LA	4-{(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid
+c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N	9LB	(2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(5-phenyl-4~{h}-1,2,4-triazol-3-yl)oxane-3,4-diol
+CCOC(=O)c1ccc(cc1)NC(=O)c2c3c(nn2c4ccccc4)CCN(C3)S(=O)(=O)c5cccs5	9LD	ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate
+c1ccc2cc(ccc2c1)c3c[nH]c(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N	9LE	(2~{r},3~{s},4~{r},5~{r},6~{r})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{h}-imidazol-2-yl)oxane-3,4-diol
+Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)OC)C)OC(=O)C)C)O)C)O)C)/C)OC(=O)CO)O	9LF	(2s,12e,14e,16s,17s,18r,19r,20r,21s,22r,23s,24e)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate
+c1ccc(cc1)CNC(=O)c2cc3c(n2Cc4ccccc4)CN(CC3)S(=O)(=O)c5ccccc5F	9LG	n,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide
+CC(C)CCCCCCCCC/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O	9LH	tunicamycin
+Cc1c(c2c([nH]1)cc(cc2Cl)Cl)CCN	9LI	2-(4,6-dichloro-2-methyl-1h-indol-3-yl)ethanamine
+c1ccc(c(c1)C#N)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F	9LJ	(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-n-(2-cyanophenyl)-2-cyclohexylacetamide
+Cc1c(oc(n1)C)C(=O)Nc2ccc(nc2)Oc3ccc(cc3)Cl	9LK	~{n}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
+c1ccc2c(c1)CN(C2=O)[C@H](c3cc(ccc3O)F)C(=O)Nc4nccs4	9LL	(2r)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)-n-(1,3-thiazol-2-yl)acetamide
+CC(C)NC(=O)n1c(cc2c1CN(CC2)S(=O)(=O)c3cccs3)c4ccccc4	9LM	2-phenyl-n-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-1h-pyrrolo[2,3-c]pyridine-1-carboxamide
+CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N(C)Cc3cnn(c3)c4ccccc4	9LN	1-ethyl-~{n}-methyl-2,3-bis(oxidanylidene)-~{n}-[(1-phenylpyrazol-4-yl)methyl]-4~{h}-quinoxaline-6-carboxamide
+c1cc(ccc1C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N	9LO	4-[[2,4-bis(azanyl)-6-oxidanylidene-1h-pyrimidin-5-yl]carbamoylamino]benzoic acid
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)OS(=O)(=O)O)F)F)Cl	9LP	trans-4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate
+B(c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)O	9LQ	[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid
+c1ccc(c(c1)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)F	9LS	(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-(2-fluorophenyl)acetamide
+CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N[C@H](c3cccc(c3)F)c4nccn4C	9LT	1-ethyl-~{n}-[(~{r})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{h}-quinoxaline-6-carboxamide
+Cc1cnc(n1Cc2ccccc2OCCCCCC(=O)O)c3ccc(cc3)c4ccco4	9LU	6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1h-imidazol-1-yl}methyl)phenoxy]hexanoic acid
+c1ccc(c(c1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br)Cl	9LV	4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2h)-yl}methyl)benzoic acid
+CCON=Cc1ccc(cc1)OCCC(C)CCN2C=CN(C2=O)c3ccncc3	9LW	1-[5-[4-(ethoxyiminomethyl)phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazol-2-one
+COc1ccc(cc1)CNc2c(nc3n2cc(cc3)F)c4ccccc4O	9LX	2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol
+c1cnn(c1)c2ccc(cn2)c3nc4cc(c(cc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6)F)F	9LY	(2s)-n,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1h-pyrazol-1-yl)pyridin-3-yl]-1h-benzimidazol-1-yl}acetamide
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)c4ccc(nc4)F	9LZ	(2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{s})-2-[[(2~{r})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid
+c1cc2c(c(c1)F)C(=O)c3c(c([nH]c3c4nccs4)Cc5ccc6c(c5)OCO6)O2	9M0	3-[(2h-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2h)-one
+CCOC(=O)[C@H]1CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F	9M1	ethyl (5s)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
+Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c([nH]n4)CN(C)C)F	9M2	1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{h}-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc(nc(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)N	9M3	n-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide
+CC(=O)Nc1cccc(c1)N([C@@H](C2CCCCC2)C(=O)NC3CCCCC3)C(=O)c4ccc(cc4)Cl	9M4	n-[3-(acetylamino)phenyl]-4-chloro-n-[(1s)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide
+c1ccnc(c1)[C@H]2C[C@H]2c3cc(ccc3C4CCCC4)c5ccc(cc5)S(=O)(=O)CCO	9M6	2-[4-[4-cyclopentyl-3-[(1~{r},2~{s})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+Cc1c(c(no1)c2ccc(cc2Cl)Cl)C(=O)N(C3CCCCC3)C4CCCCC4	9M7	n,n-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
+Cc1c(c(n(n1)C)C)CCOc2c(cccc2F)c3ccc4c(c3)c(nn4C)CN(C)C	9M8	1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN	9M9	7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine
+Cc1cccc(c1Nc2c(nc3n2c(ccc3)C)c4c(cccc4F)F)C	9MA	2-(2,6-difluorophenyl)-n-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
+c1cc(c(c(c1)O)F)c2cccc(n2)Oc3ccc(c(c3)O)F	9MB	2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol
+c1ccnc(c1)[C@@H]2C[C@@H]2c3cc(ccc3C4CCCC4)c5ccc(cc5)S(=O)(=O)CCO	9MC	2-[4-[4-cyclopentyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H]([C@@H]4CCCCO4)C(=O)NC5CCCCC5)Cl)F)Cl	9MD	(2s)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1h-benzimidazol-1-yl]-n-cyclohexyl-2-[(2s)-oxan-2-yl]acetamide
+c1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F	9ME	(4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone
+Cn1cnc2c1nc(nc2O)N	9MG	9-methylguanine
+c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)NC(=O)CN	9MH	2-azanyl-~{n}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide
+c1cc(oc1)c2nc(n(n2)C(=O)N)N	9MJ	5-amino-3-(furan-2-yl)-1h-1,2,4-triazole-1-carboxamide
+Cc1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F	9MK	(4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone
+CCCCCc1ccc(cc1[C@H]2C[C@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO	9ML	2-[4-[4-pentyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+c1cc(ccc1c2nc3cc(c(cc3n2[C@H](COc4ccc(cc4F)C(=O)O)C5CCCCC5)F)F)Cl	9MM	4-{(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid
+C(CCC(=O)NCCCC[C@@H](C(=O)O)N)CCBr	9MN	(2~{s})-2-azanyl-6-(6-bromanylhexanoylamino)hexanoic acid
+CO[C@H](c1ccccc1)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)F)F	9MP	(2s)-n,2-dicyclohexyl-2-{5,6-difluoro-2-[(r)-methoxy(phenyl)methyl]-1h-benzimidazol-1-yl}acetamide
+[H]/N=C(\N)/N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N(Cc2ccccc2)CC(=O)O)NS(=O)(=O)c3ccc4ccccc4c3	9MQ	{benzyl-[(s)-3-[((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-amino}-acetic acid
+C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	9MR	(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-d-glucopyranoside
+Cc1cc(ccc1OCc2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)F)Cl	9MS	(2s)-2-{2-[(4-chloro-2-methylphenoxy)methyl]-6-fluoro-1h-benzimidazol-1-yl}-n,2-dicyclohexylacetamide
+CCCCc1c(nc2ccc(cc2c1SCCC#N)OC)C	9MT	3-(3-butyl-6-methoxy-2-methyl-quinolin-4-yl)sulfanylpropanenitrile
+[H]/N=C(\N)/N1CCC[C@H](C1)CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c3ccc4ccccc4c3	9MU	(r)-n-((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-2-(naphthalene-2-sulfonylamino)-3-phenyl-propionamide
+c1cc(sc1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br	9MV	4-({5-bromo-2-oxo-1'-[(thiophen-2-yl)sulfonyl]spiro[indole-3,4'-piperidin]-1(2h)-yl}methyl)benzoic acid
+CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccncc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O	9MW	methyl [(2s)-1-(2-{(4r)-4-hydroxy-5-{[(2s)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
+[H]/N=C(/N)\N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N2CC[C@H](C[C@@H]2C(=O)O)C)NS(=O)(=O)c3ccc4ccccc4c3	9MX	(r)-1-[(s)-3-[((s)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid
+CO[C@H](c1ccccc1)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F	9MY	(2s)-2-cyclohexyl-2-{5,6-difluoro-2-[(r)-methoxy(phenyl)methyl]-1h-benzimidazol-1-yl}-n-(trans-4-hydroxycyclohexyl)acetamide
+c1ccc(c(c1)/C=N/NC2=NC(=O)[C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O	9MZ	2-{(5s)-2-[(2e)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-n-[3-(trifluoromethyl)phenyl]acetamide
+CC(C)(C)c1cc(cc(c1)[C@@H]2C[C@@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO	9N0	2-[4-[3-~{tert}-butyl-5-[(1~{r},2~{s})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+COc1ccc(c(c1)OC)c2nc3ccccc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5	9N1	(2s)-n,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1h-benzimidazol-1-yl]acetamide
+c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)C#N	9N2	2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile
+CC(C)(C)c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)CCO)CCc3ccccn3	9N3	2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol
+Cc1cccc(c1NC(=O)[C@H](C2CCCCC2)n3c4ccccc4nc3c5ccc(cc5OC)OC)C	9N4	(2s)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1h-benzimidazol-1-yl]-n-(2,6-dimethylphenyl)acetamide
+CC(C)(/C=N/OC)NC(=O)[C@H](OC)Oc1ccc2c(c1)cc(cn2)C#C	9N5	(2~{r})-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-~{n}-[(1~{e})-1-methoxyimino-2-methyl-propan-2-yl]ethanamide
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F)F)c6nccs6	9N7	4-{[(2s)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1h-benzimidazol-1-yl}acetyl]amino}benzoic acid
+c1cc(c(c(c1)Br)C(=O)c2cc([nH]c2)C(=O)Nc3cccnc3)F	9N8	4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{n}-pyridin-3-yl-1~{h}-pyrrole-2-carboxamide
+C/C=C/C#CC(=O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	9N9	(e,2s)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[2-[(3r,5r)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]oct-6-en-4-yn-3-one
+COc1ccc(c(n1)OC)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F	9NA	(2s)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1h-benzimidazol-1-yl]-n-(trans-4-hydroxycyclohexyl)acetamide
+CC(=O)c1ccc(cc1)NC(=O)CS	9NB	~{n}-(4-ethanoylphenyl)-2-sulfanyl-ethanamide
+c1ccc(cc1)NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F	9ND	(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-phenylacetamide
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O	9NE	dansyl-l-glutamate
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O	9NF	dansyl-l-phenylalanine
+CCN(CC[C@@H]1c2cc(ccc2N(C1=O)Cc3ccc(cc3)c4[nH]nnn4)Br)S(=O)(=O)c5cccs5	9NG	n-{2-[(3r)-5-bromo-2-oxo-1-{[4-(1h-tetrazol-5-yl)phenyl]methyl}-2,3-dihydro-1h-indol-3-yl]ethyl}-n-ethylthiophene-2-sulfonamide
+Cc1ccc(cc1NC(=O)c2cnc(nc2OC)Nc3ccc(cc3)N4CCNCC4)C(=O)Nc5cccc(c5F)C(F)(F)F	9NH	n-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide
+COc1ccc(c(n1)OC)c2nc3cc(ccc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)C(=O)O)F	9NJ	trans-4-({(2s)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1h-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid
+c1ccc(cc1)C[C@H](CS)C(=O)N2CCCC[C@@H]2C(=O)O	9NK	(2~{r})-1-[(2~{s})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid
+c1ccc(cc1)C([C@@H](C(=O)O)O)(F)F	9NL	(2r)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid
+c1cc(ccc1/C=C/C(=O)N(C2CCCCC2)C(=O)NC3CCCCC3)F	9NM	(2e)-n-cyclohexyl-n-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide
+c1ccc(cc1)C(C(C(=O)O)(O)O)(F)F	9NO	3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid
+c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)c6[nH]nnn6	9NP	(2s)-n,2-dicyclohexyl-2-{2-[4-(1h-tetrazol-5-yl)phenyl]-1h-benzimidazol-1-yl}acetamide
+CCC(=O)N1CC[C@@H](C1)Nc2c3c(ncn2)CCN(C3)c4cc(c(nc4)OC)C(F)(F)F	9NQ	leniolisib
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O	9NR	dansyl-l-arginine
+C=CCN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	9NS	(2s)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1cc2c(cc1NC(=O)C[NH+]3CCCCC3)OCO2	9NT	~{n}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide
+C[C@H]([C@@H](C(=O)N[C@H]1C[C@H](N(C1)C(=O)c2ccccc2)C(=O)NC)NC(=O)c3ccc(cc3)Cn4cccn4)OC(C)(C)C	9NU	(2s,4s)-n-methyl-4-[[(2s,3r)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide
+CCC[C@@H](C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C	9NV	dansyl-l-norvaline
+c1cc(c(cc1Cl)S(=O)(=O)NCc2c(n[nH]n2)CNC3CCCCC3)Cl	9NW	2,5-bis(chloranyl)-~{n}-[[5-[(cyclohexylamino)methyl]-2~{h}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide
+COc1cc(c(cc1O)Br)/C=N/n2c(nnc2SC)c3ccccc3	9NX	5-bromanyl-2-methoxy-4-[(e)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
+[C@@H](C(=O)O)(C(F)(F)F)O	9O0	(2r)-3,3,3-trifluoro-2-hydroxypropanoic acid
+C[C@H](c1ccc2ccccc2c1)NC(=O)c3c(noc3C(C)C)c4ccccc4Cl	9O1	3-(2-chlorophenyl)-n-[(1r)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide
+CCC(=O)Nc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N	9O2	~{n}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide
+C(=O)(C(C(F)(F)F)(O)O)O	9O3	3,3,3-trifluoro-2,2-dihydroxypropanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@H](CO3)OP(=O)(O)O)N	9O4	(3r,5r)-5-(6-amino-9h-purin-9-yl)oxolan-3-yl dihydrogen phosphate
+CC(=O)CCc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N	9O5	4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one
+c1ccc(cc1)[C@@H]([C@@H](C(=O)O)O)F	9O6	(2r,3s)-3-fluoro-2-hydroxy-3-phenylpropanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N	9O7	[(3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
+CC(=O)OCc1c(n[nH]n1)CNS(=O)(=O)c2ccccc2	9O8	[5-(phenylsulfonylaminomethyl)-2~{h}-1,2,3-triazol-4-yl]methyl ethanoate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	9O9	1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-5-o-phosphono-d-ribitol
+c1ccc(cc1)CNCc2c(nn[nH]2)CNS(=O)(=O)c3ccccc3	9OB	~{n}-[[5-[[(phenylmethyl)amino]methyl]-1~{h}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)Cc4ccccc4	9OC	1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+CC(=O)CCCCC\C=C/C(=O)O	9OD	(2z)-9-oxodec-2-enoic acid
+COc1cc(ccc1O)/C=C\2/C(=NC(=O)S2)N	9OE	(5~{z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one
+CC1(Cc2cc(ccc2-c3c1c(ncn3)N)OC)C	9OF	8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine
+Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N	9OG	4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile
+CCCCC[C@@H]1[C@H](O1)\C=C\[C@H](CCCCCCCC(=O)O)O	9OH	(trans-12,13-epoxy)-9-hydroxy-10(e)-octadecenoic acid
+Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C	9OJ	4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
+c1cc(c(cc1CCO[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O	9OK	2-(3,4-dihydroxyphenyl)ethyl beta-d-fructofuranoside
+CC1(Cc2cc(ccc2-c3c1c(ncn3)N)C(=C)C4CCNCC4)C	9OL	5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine
+Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N	9OM	7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
+C[C@@H](CCC(=O)O)C(=O)O	9ON	(2~{s})-2-methylpentanedioic acid
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)c4ccc(nc4)F	9OQ	(2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{r})-2-[[(2~{r})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid
+Cc1cc2c(cc1C)[N](=C3C(=[N]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(=O)O	9OR	3-[7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2s,3s,4r)-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1h-benzo[g]pteridin-5-yl]-3-oxidanylidene-propanoic acid
+COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N	9OS	7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)c3ccc(cc3)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)c4ccc(nc4)F	9OT	(2~{s})-2-[[(2~{s})-6-[[(2~{s})-2-[[4-[[[(2~{s})-2-[[(2~{s})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)c4ccccc4	9OU	1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-1-deoxy-5-o-phosphono-d-ribitol
+C([C@@H](C(=O)N)N)[SeH]	9OW	3-selanyl-l-alaninamide
+C[C@H](c1cccc2c1cccc2)N3CC4(C3)CC(C4)C(=O)NCc5ccnc(c5)OC	9OZ	n-[(2-methoxypyridin-4-yl)methyl]-2-[(1r)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3cccc(c3CSC[C@@H](NC2=O)C(=O)N(C)C)c4ccc(cc4)C(=O)O	9P0	4-[(5s,8r)-5-(dimethylcarbamoyl)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid
+CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N	9P1	7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine
+CCCCn1c(c(nc1c2ccccc2)c3ccccc3)CN(Cc4ccc5c(c4)OCO5)Cc6ccc7c(c6)OCO7	9P2	1-(1,3-benzodioxol-5-yl)-~{n}-(1,3-benzodioxol-5-ylmethyl)-~{n}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine
+Cc1cc2c(cc1C)[N@@+]3([C@]4(O3)C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)C	9P3	1-[(1ar,11r)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2h)-yl]-1-deoxy-5-o-phosphono-d-ribitol
+c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F	9P4	7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
+CC(C)(C)n1c(c(cn1)c2nc(cs2)CC(=O)NCC3CCOCC3)c4ccc(cc4)OC	9P6	2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{n}-(oxan-4-ylmethyl)ethanamide
+Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N	9P7	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
+c1ccnc(c1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O	9P8	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)C[C@@](CF)(C(=O)O)O	9P9	1-{5-[(3s)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-1-deoxy-5-o-phosphono-d-ribitol
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCCN	9PA	5-[(2s)-2-{[(5-aminopentanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid
+c1ccc2cc(ccc2c1)COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O	9PB	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-(naphthalen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+c1cc(c(c(c1OCc2nc3cc(cnc3s2)Cl)F)C(=O)N)F	9PC	3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
+CCCCCCCCCCCCP(=O)(C)C	9PD	dodecyldimethylphosphine oxide
+CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P@@](=O)(O)OCCN	9PE	(1r)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)[C@H](CF)O	9PF	1-deoxy-1-{5-[(1s)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-5-o-phosphono-d-ribitol
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	9PG	4-nitrophenyl alpha-d-galactopyranoside
+c1ccc(cc1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O	9PH	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	9PI	bis[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
+c1cc(sc1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O	9PK	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+CC[C@H]1[C@H](COC1=O)Cc2cncn2C	9PL	(3s,4r)-3-ethyl-4-[(1-methyl-1h-imidazol-5-yl)methyl]dihydrofuran-2(3h)-one
+c1cc(cc2c1ccc(n2)N)CNCCc3ccc(c(c3)Cl)C#N	9PM	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile
+c1cc[n+](cc1)CCCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O	9PN	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+c1cc[n+](cc1)[O-]	9PO	pyridine-n-oxide
+C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-]	9PP	2,6-diamino-(s)-9-[2-(phosphonomethoxy)propyl]purine
+c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CO	9PQ	4-[2-(hydroxymethyl)naphthalen-1-yl]-n-[2-(morpholin-4-yl)ethyl]benzamide
+CNC(=O)[C@@H]1CCCN1	9PR	n-methyl-l-prolinamide
+c1ccc2c(c1)ccc[n+]2CCCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O	9PT	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol
+c1cc(ccc1COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)[N+](=O)O	9PW	[4-[[1-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-4-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]-1,2,3-triazol-4-yl]methoxymethyl]phenyl]-oxidanyl-oxidanylidene-azanium
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)OOC(=O)OC)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	9PX	1-deoxy-1-[(4as)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+C[C@H]1C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O	9PY	(2r)-2-methyl-3-dehydroquinic acid
+Cc1cc2c(cc1C)[n+](c3c([n+]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)[C@](c4ccccc4)(C(=O)N)O	9Q0	1-{5-[(1s)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-o-phosphono-d-ribitol
+c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)OCC5=Cc6c(ccc(c6F)F)OC5=O)O)CO)O	9Q5	5,6-bis(fluoranyl)-3-[[(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	9Q6	1-deoxy-1-[(4as)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+C(#[O+])[Ru](C#[O+])(C#[O+])(O)(O)O	9Q8	tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium
+C[C@H](C(=O)N1CC[C@@H](C1)F)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2	9Q9	1-cyclopentyl-6-({(2r)-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1ccc(cc1)CCC(=O)N2CCC(CC2)(CN3C=Nc4cc(ccc4C3=O)Cl)O	9QA	7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3h)-one
+C(#[O+])[Ru](C#[O+])(C#[O+])([OH2+])([OH2+])Cl	9QB	chloranyl-bis(oxidaniumyl)-tris(oxidaniumylidynemethyl)ruthenium
+C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)NC(=O)CCN4CCN(CC4)C)O)c5ccccc5	9QD	n-[3-({4-hydroxy-1-[(3r)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)OO)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	9QF	[(2~{r},3~{s},4~{s})-5-[(4~{a}~{s})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+C[C@H](C(=O)O)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)OC)CO)O	9QG	methyl 3-o-[(1r)-1-carboxyethyl]-beta-d-galactopyranoside
+[H]/N=C/1\C[C@H](C[C@H]1Cc2c(cnc(c2O)C)COP(=O)(O)O)C(=O)O	9QJ	(1s,3s,4e)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid
+c1ccc2c(c1)c(cc(n2)c3cccc(c3)F)C(=O)O	9QK	2-(3-fluorophenyl)quinoline-4-carboxylic acid
+c1ccnc(c1)CN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)CO	9QN	(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
+CCc1c(c(nc(n1)N)N)c2cccc(c2)OCCCOc3c(nc(nc3N)N)CC	9QO	5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
+CC1=C2[C@H]([C@]([C@]3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H]7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1cc(cc2)O)CO)C)(C)CC(=O)N)CCC(=O)N	9QQ	 6-hydroxybenzimidazolyl-norcobamide
+CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3c(nc(nc3N)N)CC	9QR	5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
+c1ccc2c(c1)c(cc(n2)c3cc(cc(c3)Cl)F)C(=O)O	9QT	2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid
+c1ccc2c(c1)cc([nH]2)CNCC(=O)NC3CCC(CC3)c4[nH]c5ccccc5n4	9QU	n-[(1s,4s)-4-(1h-benzimidazol-2-yl)cyclohexyl]-n~2~-[(1h-indol-2-yl)methyl]glycinamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OP(=O)(O)O	9QV	uridine 2',5'-bis(dihydrogen phosphate)
+CC(C)n1c2c(nc1c3cnc(nc3OC)OC)C(=O)N([C@H]2c4ccc(cc4)Cl)C5=CC(=CN(C5=O)C)Cl	9QW	(4~{s})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one
+COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O	9QY	methyl 2-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate
+C([C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	9QZ	[(2~{r},3~{s},4~{r},5~{r},6~{r})-2-[[(2~{s},3~{s},4~{r},5~{s},6~{r})-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methoxy  ]-6-(hydroxymethyl)-3,5-disulfooxy-oxan-4-yl] hydrogen sulfate
+c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4CC5(C4)CCN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl	9R0	2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid
+C(CC[C@@H](C(=O)O)N)CCC(=O)O	9R1	(2s)-2-aminooctanedioic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O	9R2	[(2~{r},3~{s},4~{s},5~{s},6~{s})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hexadecanoate
+c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4[C@@H]5CCC[C@H]4CN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl	9R3	2-[(1r,5s)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid
+CC(C)(C(=O)O)NC(=O)CC[C@H](C(=O)O)N	9R4	d-gamma-glutamyl-2-methyl-l-alanine
+c1cc2c(cc1Cl)OC[C@H](O2)CN	9R5	[(2~{r})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine
+C(CC(=O)NCC(=O)O)[C@@H](C(=O)O)N	9R7	l-gamma-glutamylglycine
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc(cc4)N5CCOCC5	9R8	6-hydroxy-3-(3-methyl-benzyl)-1h-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide
+c1c(cc2c(c1C3(CCCCC3)O)cn[nH]2)Cl	9R9	1-(6-chloro-1h-indazol-4-yl)cyclohexan-1-ol
+Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C	9RA	4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid
+Cc1c(c(n(n1)C)C)/N=N/c2ccc(cc2)/C=C/C(=O)NO	9RB	(2e)-n-hydroxy-3-{4-[(e)-(1,3,5-trimethyl-1h-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)Oc3ccc(cc3)[N+](=O)[O-])O	9RC	5'-o-[(s)-hydroxy(4-nitrophenoxy)phosphoryl]thymidine
+C1CCC2=C(C1)[NH2+][Pt+2][NH2+]2	9RD	(cyclohex-1-ene-1,2-diamine)platinum(2+)
+Cc1cc(ccc1OCC(=O)O)SCc2nnc(s2)c3ccc(cc3)C(F)(F)F	9RF	{2-methyl-4-[({5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}methyl)sulfanyl]phenoxy}acetic acid
+c1ccc(cc1)C(C(F)(F)F)(O)O	9RH	2,2,2-trifluoromethyl acetophenone hydrate
+CN(CCCC[C@@H](C(=O)O)N)[C@H]1C[C@@H]2CC[C@H]1C2	9RI	(2s)-2-amino-6-{[(1s,2s,4r)-bicyclo[2.2.1]heptan-2-yl](methyl)amino}hexanal
+c1ccc2c(c1)OC[C@H](O2)CNC(=O)c3ccco3	9RK	~{n}-[[(3~{r})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]furan-2-carboxamide
+C[C@@](c1ccccc1)([C@H](Cc2ccc(cc2)Cl)n3cncn3)O	9RL	(2r,3s)-4-(4-chlorophenyl)-2-phenyl-3-(1h-1,2,4-triazol-1-yl)butan-2-ol
+CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F	9RM	6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4h)-one
+C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)O)O	9RN	3,6-anhydro-d-galactose
+C[C@H](CCC[C@H](c1ccc(cc1)O)OC)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C	9RO	(1~{r},3~{r})-5-[(2~{e})-2-[(1~{r},3~{a}~{s},7~{a}~{r})-1-[(2~{r},6~{r})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+c1ccc(cc1)n2c(c(cn2)c3cc4cnccc4[nH]3)O	9RP	1-phenyl-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-5-ol
+C[C@@H](c1ccccc1)P(=O)(O)Oc2ccc3c(c2)OC(=O)C=C3CS(=O)(=O)O	9RQ	[2-oxidanylidene-7-[oxidanyl-[(1~{s})-1-phenylethyl]phosphoryl]oxy-chromen-4-yl]methanesulfonic acid
+CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3ccc(cc3)c4c(nc(nc4N)N)CC	9RR	5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine)
+Cc1c(c(n(n1)c2cccc(c2)CNC(=O)Nc3ccccc3)O)c4cc5cnccc5[nH]4	9RS	n-({3-[5-hydroxy-3-methyl-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea
+c1ccnc(c1)CNS(=O)(=O)c2ccc(cc2)CN	9RT	4-(aminomethyl)-~{n}-(pyridin-2-ylmethyl)benzenesulfonamide
+Cc1cc(c(c(c1)C)N2CC[N+](=C2[Ru](Cl)Cl)c3c(cc(cc3C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C)C	9RU	[1-[4-[[5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium
+CCCCC(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O	9RV	n-({3-[5-hydroxy-4-(1h-pyrrolo[3,2-c]pyridin-2-yl)-1h-pyrazol-1-yl]phenyl}methyl)pentanamide
+C[C@@H](c1ccccc1)C(=O)O	9RW	(2~{s})-2-phenylpropanoic acid
+c1ccc(c(c1)c2[nH]nc(n2)SCC(=O)Nc3[nH]c4ccccc4n3)C(=O)O	9RX	2-[3-[2-(1h-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1h-1,2,4-triazol-5-yl]benzoic acid
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5cncnc5[nH]4)O	9RY	n-({3-[5-hydroxy-4-(7h-pyrrolo[2,3-d]pyrimidin-6-yl)-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea
+CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)[nH]nc4C(=O)N5CCC[C@@H](C5)OC	9RZ	3-[(3~{s})-3-methoxypiperidin-1-yl]carbonyl-~{n}-methyl-~{n}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{h}-indazole-5-carboxamide
+CCCc1c2c([nH]n1)OC(=C([C@@H]2c3cc(c(c(c3)OC)O)N(=O)=O)C#N)N	9S0	(4r)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
+c1ccc(cc1)NC(=O)NCc2cccc(c2)n3c(c(cn3)c4cc5c([nH]4)ccc(n5)N)O	9S1	n-({3-[4-(5-amino-1h-pyrrolo[3,2-b]pyridin-2-yl)-5-hydroxy-1h-pyrazol-1-yl]phenyl}methyl)-n'-phenylurea
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CN4CCCCC4)Nc5ccccc5	9S3	1-[(2s,4r)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2h)-yl]ethanone
+CC(=O)N[C@H]1[C@@H]([O+]=C([C@@H]([C@@H]1O)F)C(=O)O)C[C@@H](CO)O	9S4	(2~{s},3~{r},4~{r},5~{r})-3-acetamido-2-[(2~{s})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
+C[C@@H](c1cnccn1)Nc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4	9S5	(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1s)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone
+CC(C)N1CCN(CC1)c2ccc(cc2)/C(=C(/CCCO)\c3ccccc3)/c4cccc(c4)O	9S6	3-[(~{e})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
+CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H](CCO)O)C(=O)O)F)O	9S7	5-acetamido-2,6-anhydro-3,5,8-trideoxy-3-fluoro-d-threo-l-galacto-nononic acid
+S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2	9S8	non-cubane [4fe-4s]-cluster
+C(CBr)S(=O)(=O)O	9SB	2-bromanylethanesulfonic acid
+c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4	9SC	7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1h-quinolin-2-one
+CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H](CCO)O)C(=O)O)F)O	9SD	(2~{r},3~{r},4~{r},5~{r})-3-acetamido-2-[(1~{r})-1,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
+C[C@]1(N[C@@H](C[Se]1)C(=O)O)C(=O)O	9SE	(2~{r},4~{r})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid
+c1ccc2c(c1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@H](CCCN3)O	9SF	3-{3-[(2r,3s)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3h)-one
+CC(=O)N[C@@H]1C[C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F	9SG	(2r,3r,5r,6r)-5-acetamido-2,3-bis(fluoranyl)-6-[(1r,2r)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+c1cc(ccc1CN)C[n+]2cnc3c(c2N)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	9SI	[(2r,3s,4r,5r)-5-[1-[[4-(aminomethyl)phenyl]methyl]-6-azanyl-purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC(=O)N[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)F)C(=O)O)C[C@@H](CO)O	9SJ	5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-d-threo-l-galacto-nononic acid
+c1cc(c(c2c1OC(=O)C(=C2)CO[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F)O)CO)O)F)F	9SK	5,6-bis(fluoranyl)-3-[[(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one
+C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)N=C(N3)N)COC(=O)N)N	9SL	[(3as,4r,10as)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3h,8h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
+CC(=O)N[C@H]1[C@@H](O[C@]([C@@H]([C@@H]1O)F)(C(=O)O)F)C[C@@H](CO)O	9SM	(2r,3r,4r,5r,6s)-5-acetamido-6-[(2s)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
+c1cc(c(c(c1)F)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	9SN	6-fluoroanthraniloyl-amp
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H](CCO)O)(C(=O)O)F)F)O	9SP	(2r,3r,4r,5r,6r)-5-acetamido-6-[(1r)-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
+C1NC[Se]2[Fe]3([Se]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	9SQ	dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethaneselenato- 1kappas:2kappas)-mu-(oxomethylidene)diiron(2+)
+C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O	9SR	(1r,5r,6r,7r,9s,11s,12s,13s,14s)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name)
+c1c(cnc(n1)NC2(CC2)c3cncnc3)C(=O)N4CCC[C@H](C4)C#N	9SS	(3r)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile
+CN1C[C@H](C[C@H](C1)NC2=C(C(=O)N(N=C2)C)Br)c3ccccc3	9ST	4-bromo-2-methyl-5-[[(3~{r},5~{r})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one
+c1cc2c(c(c1)Cl)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CN2	9SU	2-(4-chloro-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3h)-one
+CN1CCN(CC1)C2=C(C(=O)c3ccccc3C2=O)Sc4ccccc4	9SV	2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione
+CCCCCCCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC	9SW	methoxy-[(3~{r})-3-[(2~{r})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
+c1ccc(cc1)C[n+]2cnc3c(c2N)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	9SY	[(2r,3s,4r,5r)-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O	9SZ	c42 h32 o8 p2
+c1cc(ccc1CP(=O)(O)O[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](COC(=O)CCCC(=O)O)NC(=O)C(Cl)Cl)NC(=O)C(F)(F)F	9T0	5-[(2r,3r)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-[oxidanyl-[[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]methyl]phosphoryl]oxy-propoxy]-5-oxidanylidene-pentanoic acid
+C[C@H]([C@H]([C@H]1[C@@H](C(=O)[C@H]([C@H](O1)C(=O)O)F)NC(=O)C)O)O	9T1	5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-d-erythro-l-gluco-non-4-ulosonic acid
+CCOC(=O)NC(=O)c1cc(sc1NC(=O)c2nc3ccccc3s2)F	9T2	ethyl ~{n}-[2-(1,3-benzothiazol-2-ylcarbonylamino)-5-fluoranyl-thiophen-3-yl]carbonylcarbamate
+c1c[nH]c2c1c(c(cn2)C(=O)N)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O	9T6	4-[[(1s,3r)-5-oxidanyl-2-adamantyl]amino]-1h-pyrrolo[2,3-b]pyridine-5-carboxamide
+C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)NC(=O)C)O)O	9T7	(2r,3r,4r,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
+C[NH+](C)CCCNC(=O)CC[NH3+]	9T8	3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium
+CN1CCN(CC1)CCNc2cc3c(c(c2)F)C(=O)c4c(c([nH]c4c5nccs5)Cc6ccc7c(c6)OCO7)O3	9T9	3-[(2h-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2h)-one
+c1ccc2c(c1)C(=O)c3ccccc3C2=O	9TA	1,4-bis-[2-(2-hydroxy-ethylamino)-ethylamino]-anthraquinone
+c1cc(ccc1CNC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F	9TB	(2~{s})-2-[[(2~{s})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+c1cnc(cn1)CNc2ncc(cn2)C(=O)N3CCC4(C3)CCOCC4	9TC	(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@@H]2c3ccccc3NC2=O)C(=O)O)O	9TD	1-carboxy-1-{[(e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]azaniumyl}-2-[(3r)-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-ide
+COc1cccc(c1)Oc2ccc3c(c2)S(=O)(=O)NCN3C4CC4	9TE	4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O	9TF	purpurin
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O	9TG	3-[(2r)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid
+C[C-]12C3(=C4([Ir+3]1356(C2(=C54C)C)([N-](CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)[Cl-])C)C	9TH	pentamethylcyclopentadienyl iridium [n-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride
+Cc1c(n2ccccc2n1)c3ccn[nH]3	9TI	2-methyl-3-(1~{h}-pyrazol-5-yl)imidazo[1,2-a]pyridine
+B([C@H](Cn1cc(nn1)c2cccc(c2)C(=O)O)NC(=O)Cc3cccs3)(O)O	9TJ	3-{1-[(2r)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1h-1,2,3-triazol-4-yl}benzoic acid
+Cn1ccnc1C(=O)O	9TK	1-methylimidazole-2-carboxylic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC	9TL	2-azaniumylethyl (2r)-2,3-bis{[(9z)-octadec-9-enoyl]oxy}propyl phosphate
+C[C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H](C(=[O+]1)C(=O)O)F)O)NC(=O)C)O)O	9TM	(2~{r},3~{r},4~{r},5~{r})-3-acetamido-2-[(1~{r},2~{r})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
+CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C/C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)O)([C@](C(=O)O3)(C)O)O	9TN	debutanoyl thapsigargin
+COc1ccc(cc1)Nc2nccc(n2)c3c[nH]nc3c4cccnc4	9TO	n-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1h-pyrazol-4-yl]pyrimidin-2-amine
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)c8cccs8)O)O)OCO4	9TP	(5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-o-(thiophen-2-ylmethylidene)-beta-d-glucopyranoside
+c1cc(c(cc1NC(=S)NCCO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)O)C3c4ccc(cc4OC5=C3C=CC(=O)C5)O	9TQ	5-[2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid
+c1cc(cc(c1)N=[N+]=[N-])COC(=O)NCCCC[C@@H](C(=O)O)N	9TR	n6-{[(3-azidophenyl)methoxy]carbonyl}-l-lysine
+CC/C=C/C(=O)O	9TS	(2e)-pent-2-enoic acid
+Cn1ccc2c1ccc(c2)N	9TT	1-methylindol-5-amine
+c1cc(cc(c1)C2(N=N2)C(F)(F)F)COC(=O)NCCCC[C@@H](C(=O)O)N	9TU	n6-[({3-[3-(trifluoromethyl)-3h-diaziren-3-yl]phenyl}methoxy)carbonyl]-l-lysine
+c1cnc(nc1)CCC(=O)Nc2cc(n[nH]2)c3ccc4c(c3)CCCC4	9TV	3-(pyrimidin-2-yl)-n-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1h-pyrazol-5-yl]propanamide
+c1cc(c(cc1C(=O)N)Cl)F	9TW	3-chloranyl-4-fluoranyl-benzamide
+C#Cc1cccc(c1)COC(=O)NCCCC[C@@H](C(=O)O)N	9TX	n6-{[(3-ethynylphenyl)methoxy]carbonyl}-l-lysine
+C1CC1(C(=O)O)C(=O)O	9TY	cyclopropane-1,1-dicarboxylic acid
+Cc1ccc(cc1C(=O)O)F	9TZ	5-fluoranyl-2-methyl-benzoic acid
+C1CCC=CC(CC1)OC(=O)NCCCC[C@@H](C(=O)O)N	9U0	n6-({[(1s,2e)-cyclooct-2-en-1-yl]oxy}carbonyl)-l-lysine
+CC(C)c1c(ncs1)C=O	9U2	5-propan-2-yl-1,3-thiazole-4-carbaldehyde
+CN(C)CCN(C)C	9U3	n,n,n',n'-tetramethylethane-1,2-diamine
+CNC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1	9U4	3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-n-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide
+CC(C)N1C=CC(c2c1ccc(c2)C#Cc3ccc(cc3)C(=O)O)(C)C	9U5	4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid
+c1ccc(cc1)COC(=O)NCC[Se]C[C@@H](C(=O)O)N	9U6	3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-l-alanine
+CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)N4CCCc5c4ccc(c5)c6cnn(c6)C)C1	9U7	1-{3-[6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-[(3s)-oxolan-3-yl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)c4ccccn4	9U8	ethyl 1-[[(2~{s})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{s})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate
+C1C[C@@H]2[C@@H](C2COC(=O)NCCCC[C@@H](C(=O)O)N)CCC#C1	9U9	n6-({[(1r,8s,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-l-lysine
+CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1	9UA	1-{3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-[(3s)-oxolan-3-yl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)/C)/C)/C)C	9UB	[(2~{s},3~{r},4~{r},5~{s},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[oxidanyl-[(2~{z},6~{z},10~{z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl]oxy-phosphinic acid
+c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)[N+](=O)[O-]	9UC	n6-{[(4-nitrophenyl)methoxy]carbonyl}-l-lysine
+CC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1	9UD	1-{3-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+C[C@@H]\1C[C@@H](OC(=O)C[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H](C/C(=C1)/C)C)C)C)Cc2c3ccccc3[nH]c2Br)c4ccc(cc4)O)C	9UE	jasplakinolide
+c1cc(ncc1COC(=O)NCCCC[C@@H](C(=O)O)N)N	9UF	n6-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-l-lysine
+Cc1ccc2c(c1)O[C@@H](CN2C(=O)NC)C	9UG	(2r)-n,2,7-trimethyl-2,3-dihydro-4h-1,4-benzoxazine-4-carboxamide
+[B]1B234B5B6[Co]17891%10%11(B2[C@]72C866B55B33B65B432)B2B345B9C11(B33B446B522B%105B242C%1151B623)CNS(=O)(=O)N	9UK	cobaltcarborane
+CN\1CCC/C1=C\2/C=Nc3c2cccc3	9UL	(3~{z})-3-(1-methylpyrrolidin-2-ylidene)indole
+CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C	9UM	3-(bromomethyl)-2,5,6-trimethyl-1h,7h-pyrazolo[1,2-a]pyrazole-1,7-dione
+CN1CCC(CC1)NC(=O)c2cc(on2)c3c(cc(cc3Oc4ccc(cc4)[N+](=O)[O-])O)O	9UN	5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-n-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
+C[C@H](C(F)(F)F)Nc1nc(nc(n1)N[C@H](C)C(F)(F)F)c2cccc(n2)Cl	9UO	6-(6-chloropyridin-2-yl)-n2,n4-bis[(2r)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
+[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)OC)/N	9UP	methyl (7-carbamimidoylnaphthalen-1-yl)carbamate
+CC[C@@]1(CCC(=O)NC1=O)c2ccc(cc2)N	9UQ	(3~{r})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione
+C1=SC(=O)NC1=O	9UT	1,3-thiazole-2,4-dione
+c1cc(c(cc1OCCN2CCOCC2)OCCN3C=CC(=O)NC3=O)Oc4cc(cc(c4)Cl)/C=C/C#N	9UV	(2e)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
+C1=NC(=S)NC1=O	9UW	2-sulfanylideneimidazol-4-one
+O=[MoH2]1S[MoH2](=O)S1	9UX	dioxo(di-mu-sulfide)dimolybdenum
+Cc1c(c([nH]c1CC2=NC(=O)[C@@H]([C@H]2C=C)C)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O	9UY	3-[5-[[(3~{r},4~{r})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+C1CC(=O)NC(=O)C1	9UZ	piperidine-2,6-dione
+c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)N=[N+]=[N-]	9V0	(2s)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid
+CC[C@@H]1[C@H](C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C	9V1	3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl] methyl]-5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]pro panoic acid
+CC[C@]1(CC(=O)NC1=O)C	9V2	(3~{s})-3-ethyl-3-methyl-pyrrolidine-2,5-dione
+Cc1cccc(n1)[C@H]2c3ccsc3CCN2C(=O)CNCC(C)C	9V3	2-(2-methylpropylamino)-1-[(4r)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl]ethanone
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2[N+](=O)[O-])Cl	9V5	4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene
+c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Cl	9V6	(2s)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid
+c1ccc(cc1)NC(=O)O	9V7	phenylcarbamic acid
+c1cc2c(cc1C(=O)NCC3[C@H]4[C@@H]3CN(C4)C(=O)OCc5cc(cc(c5)C(F)(F)F)C(F)(F)F)nn[nH]2	9V8	[3,5-bis(trifluoromethyl)phenyl]methyl (1~{s},5~{r})-6-[(1~{h}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
+CC1=CN(C(=S)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O	9V9	1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1h)-one
+C1=N[C@H](C(=O)N[C@H]1CCC(=O)N)CO	9VA	3-[(2s,5s)-5-(hydroxymethyl)-6-oxo-1,2,5,6-tetrahydropyrazin-2-yl]propanamide
+c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N	9VC	(2s)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid
+CC([C@@H](C=O)N)O	9VD	(2s,3s)-2-amino-3-hydroxybutanal
+CN(C)C(=O)c1cccc(c1)S(=O)(=O)N2CCC[C@H]2C(=O)O[C@@H](Cc3c(c[n+](cc3Cl)O)Cl)c4ccc(c(c4)OCC5CC5)OC(F)F	9VE	[(1~{s})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{s})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate
+C[Si](C)(C)COC(=O)NCCCC[C@@H](C(=O)O)N	9VF	(2s)-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid
+C/C(=C\C(=O)OC)/[C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6ccccc6C5=O)O)O	9VG	methyl (2e)-3-[(1as,11s,11as,14z,18r)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11ah-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate
+C1[C@@H]([C@H]([C@@H](CN1)O)O)CS(=O)(=O)O	9VH	[(3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid
+Cc1c(c(c(s1)c2ccccn2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C	9VK	(2~{s})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Br	9VL	(2s)-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid
+Cc1c(c(c(s1)c2ccncc2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C	9VN	(2~{s})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+c1ccc(cc1)CNc2ccccn2	9VO	n-(phenylmethyl)pyridin-2-amine
+CC(=O)N[C@@H]1C[C@H]([C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)F	9VP	5-acetamido-2,6-anhydro-3,4,5-trideoxy-3-fluoro-d-erythro-l-gluco-nononic acid
+c1cnn(c1)Cc2ccc(cc2)CO	9VQ	[4-(pyrazol-1-ylmethyl)phenyl]methanol
+c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)C2(N=N2)C(F)(F)F	9VR	(2s)-2-azanyl-6-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid
+CN1CCN(CC1)Cc2ccc(cc2)c3cnc(nc3NC4CCC(CC4)O)Nc5ccc(cc5)C#Cc6cc(ccn6)C7OCCO7	9VS	cis-4-[(2-[(4-{[4-(1,3-dioxolan-2-yl)pyridin-2-yl]ethynyl}phenyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}pyrimidin-4-yl)amino]cyclohexan-1-ol
+CCNc1nnc(s1)Cn2c(cc(n2)C)C	9VT	5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{n}-ethyl-1,3,4-thiadiazol-2-amine
+Cc1ccc2c(c1Br)[C@](C(=O)N2)(CC(=O)c3ccc4c(c3)OCO4)O	9VU	(3s)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1h-indol-2-one
+c1cc(cnc1)CNC(=O)NC2CCCCC2	9VW	1-cyclohexyl-3-(pyridin-3-ylmethyl)urea
+CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(C)S(=O)(=O)C)c4ccc5c(n4)-c6cc7c(n6CO5)cccc7F	9VY	2-(4-fluorophenyl)-5-(11-fluoro-6h-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-n-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
+CCOC(=O)[C@@H]1CCc2c(sc(n2)C)C1	9VZ	ethyl (6~{r})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
+Cc1cc(cc(n1)[C@@H]2CCN(C2)C(=O)c3c(non3)N)Nc4cccc(c4)OC	9W1	(4-amino-1,2,5-oxadiazol-3-yl)[(3r)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone
+CC(=O)NC1CCN(CC1)c2ncccn2	9W2	~{n}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide
+Cc1cc(cc(c1Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C)/C=C/C#N	9W3	4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile
+c1cc(ccc1CN2C(=O)C=NC2=O)C(=O)Nc3ccc4c(c3)sc(n4)N5CCOCC5	9W4	4-[(2,5-dioxo-2,5-dihydro-1h-imidazol-1-yl)methyl]-n-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide
+Cc1cc(n(n1)Cc2ccccc2)N	9W5	5-methyl-2-(phenylmethyl)pyrazol-3-amine
+CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3cnccc3s2	9W6	ethyl {2-[([1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl}carbamate
+CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O	9W7	2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol
+CC1=CC(=O)C(=C(N1)C)C2CCN(CC2)c3ncccn3	9W8	2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{h}-pyridin-4-one
+Cn1cncc1[C@@](c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6ccc(nc6)C(F)(F)F)O	9WA	(r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
+CC1=CC(=O)C(=C(N1)C)c2ccccc2	9WB	2,6-dimethyl-3-phenyl-1~{h}-pyridin-4-one
+CC(=O)N1CCC(CC1)[C@@](c2ccc3c(c2)c(c(c(n3)OC)Cc4ccc(cc4)n5cccn5)Cl)(c6cncn6C)O	9WD	1-{4-[(r)-(4-chloro-2-methoxy-3-{[4-(1h-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one
+c1cc(cnc1)CNC(=O)NC2CCN(CC2)c3ncccn3	9WE	1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
+Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C	9WG	4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]-6-methyl-6,7-dihydro-5h-pyrrolo[3,4-b]pyridin-5-one
+Cc1cc(n(n1)Cc2nnc(s2)Nc3ccn(n3)Cc4c(cccc4Cl)F)N	9WH	5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{n}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine
+Cc1cc2cc(cn2c(c1Nc3ccnc(n3)Nc4ccc(cc4)C#N)C)C#N	9WI	(4r)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)NC(=O)C	9WJ	4-acetamido-4,6-dideoxy-beta-d-mannopyranose
+Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)N	9WK	4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{n}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide
+CC(=O)N[C@@H]1C[C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)F	9WM	(2~{r},3~{r},5~{r})-3-acetamido-5-fluoranyl-2-[(1~{r},2~{r})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O	9WN	(2r)-2-(alpha-d-glucopyranosyloxy)-3-hydroxypropanoic acid
+c1ccc2c(c1)cc([nH]2)C(=O)N[C@H]3CCCN(C3)c4cc(n[nH]4)c5ccncc5	9WO	n-{(3s)-1-[3-(pyridin-4-yl)-1h-pyrazol-5-yl]piperidin-3-yl}-1h-indole-2-carboxamide
+Cc1c(c2c(o1)ccc(c2CN3CCCCCC3)O)C(=O)Nc4ccc(cc4)C(F)(F)F	9WP	4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-n-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide
+Cc1ccc(cc1O)c2cccc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC	9WR	[6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
+c1ccc(c(c1)NC(=O)c2cnn3c2cccc3)Cl	9WS	n-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
+C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)O	9WT	cefepime
+C(CN)C(=O)N[C@@H](CN)C(=O)O	9WV	beta-alanyl-3-amino-l-alanine
+CCOC(=O)Cn1cc(nc1)S(=O)(=O)n2ccc3c2nc(cn3)CCc4cc(cc(c4)OC)OC	9WX	ethyl [4-({3-[2-(3,5-dimethoxyphenyl)ethyl]-5h-pyrrolo[2,3-b]pyrazin-5-yl}sulfonyl)-1h-imidazol-1-yl]acetate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC([C@@H]([C@@H](CO)O)OP(=O)(O)O)O	9WY	1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-3-o-phosphono-d-ribitol
+c1cc(c(cc1CCO)O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO	9WZ	2-hydroxy-4-(2-hydroxyethyl)phenyl beta-d-fructofuranoside
+c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3	9X0	n-(cyclohexylmethyl)-4-oxo-4h-1-benzopyran-2-carboxamide
+CN(c1ccc(cc1)Cl)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c5ccc(cc5)C[n+]6ccc(c7c6cccc7)N(C)c8ccc(cc8)Cl	9X1	1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}
+c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCC(CC4)CNC(=O)[C@@H]5CCCN5	9X2	~{n}-(2,3-dihydro-1~{h}-inden-2-yl)-3-[[4-[[[(2~{s})-pyrrolidin-2-yl]carbonylamino]methyl]piperidin-1-yl]carbonylamino]pyrazine-2-carboxamide
+CNCc1cccc(c1)CN2CCOCC2	9X3	n-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine
+Cc1cnc(o1)C(C)(C)C#Cc2ccc3c(c2)-c4nc(c(n4C5CC3C5)C(=O)NC)C(=O)N	9X4	(5s,7s)-n~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5h-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide
+CC1=NCc2ccccc2-c3c1cccc3	9X5	5-methyl-7~{h}-benzo[d][2]benzazepine
+C(C(=O)O)SCC(=O)O	9X6	thiodiglycolic acid
+CCOC(=O)C(=O)C	9X7	ethyl 2-oxopropanoate
+CC(=S)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	9X8	 thioacetyl-adp-ribose
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2)OC)N)N	9X9	3,5-bis(azanyl)-n-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide
+CC(C)(C)S(=O)(=O)c1cn2c(cc1OCCN3CCN(CC3)C)ncc2c4cc(nc(c4)Cl)N	9XA	4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine
+CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C(=O)O[C@H]([C@@H]([C@@H]3CC[C@@H](O3)[C@H](C(=O)O1)C)C)[C@H](C)[C@H]4CC[C@H](O4)C[C@@H](CCC)N(C)C)C	9XB	pamamycin 607
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnc(nc2OC)OC)N)N	9XC	3,5-bis(azanyl)-n-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide
+CC1=C(Nc2cc(ccc2C1=O)OC)c3cc(cnc3)c4ccc(cc4)OC(F)(F)F	9XE	7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]-1~{h}-quinolin-4-one
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N)N	9XF	3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-n-carbamimidoyl-pyrazine-2-carboxamide
+Cc1cccc(c1)Nc2ccccc2	9XG	3-methyl-n-phenylaniline
+c1ccc2c(c1)CN(C2)C(=O)[C@H](CC(=O)N3CCN(CC3)C(c4ccc(cc4)F)c5ccc(cc5)F)N	9XH	(2~{s})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione
+c1cc(cc(c1)Cl)Oc2c3c(ncnc3n(n2)CC4CCNCC4)N	9XJ	3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1ccc2c(c1)sc(n2)NC(=O)CSC3=NC4=C(C(=O)N3c5ccccc5)SCC4	9XK	~{n}-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide
+c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCN(CC4)S(=O)(=O)NC(=O)O[C@H]5CCCN[C@@H]5CC(=O)CN6C=Nc7cc(c(cc7C6=O)Cl)Br	9XM	[(2~{r},3~{s})-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]piperidin-3-yl] ~{n}-[4-[[3-(2,3-dihydro-1~{h}-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperazin-1-yl]sulfonylcarbamate
+NP(=S)(O)O	9XN	phosphoramidothioic o,o-acid
+CC(C)(C)n1c2c(c(ncn2)N)c(n1)Nc3cccc(c3)Cl	9XP	1-tert-butyl-n~3~-(3-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine
+c1cc(cc(c1)NC(=[NH2+])N)C(=O)O	9XQ	[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium
+c1cc(cc(c1)N[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	9XR	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2r,3s,4r,5s)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O	9XS	(2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+Cc1cc(ccc1N)Cn2c3c(c(nc(n3)N)c4ccco4)nn2	9XT	3-[(4-azanyl-3-methyl-phenyl)methyl]-7-(furan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
+CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Cl)c(ncn2)N	9XV	1-tert-butyl-3-[(3-chlorophenyl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC1(CCN(CC1)C(=O)Nc2nc3c(ccc(c3s2)N4CCOCC4)OC)O	9XW	~{n}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCC[C@@H](C)CCCCCCCC	9XX	(2s)-1-(hexadecanoyloxy)propan-2-yl (10s)-10-methyloctadecanoate
+CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3	9XY	endoxifen
+Cn1nc(nn1)c2cc(cnc2N)c3ccsc3	9XZ	3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN	9Y0	(2r)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (e)-octadec-9-enoate
+c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F	9Y1	2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
+CC(C)(C)CC(=O)Nc1c(cc(cc1F)C(=O)Nc2nccs2)F	9Y2	4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{n}-(1,3-thiazol-2-yl)benzamide
+c1ccc(cc1)/C=C\C=O	9Y3	(2z)-3-phenylprop-2-enal
+Cc1c2c(n(n1)c3cccc(c3)Cl)-c4ccccc4S(=O)(=O)N2	9Y5	1-(3-chlorophenyl)-3-methyl-4~{h}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide
+c1ccc(cc1)/C=C/C=O	9Y6	(2e)-3-phenylprop-2-enal
+c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N	9Y7	2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
+CN1c2c([nH]nc2c3ccc(cc3)F)-c4ccccc4S1(=O)=O	9Y8	3-(4-fluorophenyl)-4-methyl-1~{h}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide
+C[C@H]1Cc2cc(ccc2S(=O)(=O)[N@@](C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)F	9Y9	tert-butyl {(2s,3r)-4-[(4s)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3h)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1ccc(cc1)c2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(cc6)S(=O)(=O)N	9YA	2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
+COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@H](CC(=O)O)c5ccccc5)C3	9YB	(3~{r})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid
+c1cc(c(cc1c2cc(n(n2)c3nc(cs3)C(=O)O)O)F)F	9YD	2-[3-(3,4-difluorophenyl)-5-hydroxy-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
+CC(C)n1c2c(c3c1-c4c(cccc4OCC=C(C)C)C3=O)C(=O)CCC2	9YE	4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC[C@@H](C)CCCCCCCCC)COP(=O)(O)OC1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O	9YF	(2r)-2-(hexadecanoyloxy)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9s)-9-methyloctadecanoate
+CC(C)(C)n1c2c(c(n1)Cc3c[nH]c4c3cccc4)c(ncn2)N	9YG	1-tert-butyl-3-[(1h-indol-3-yl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+COc1cccc(c1O)CN(CCN(Cc2ccccc2SC)CC(=O)O)CC(=O)O	9YH	2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid
+CC(C)(C)n1c2c(c(ncn2)N)c(n1)Sc3cccc(c3)Cl	9YJ	1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CSc1ccccc1CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=O)O	9YK	2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid
+CCOC(=O)[C@@H](C)O	9YL	ethyl (2r)-2-oxidanylpropanoate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)N)O	9YM	[4-({[(1r,2s,3s,4r,5s)-5-amino-2,3,4-trihydroxycyclohexyl]amino}methyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+CC(C)C[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N	9YN	(2~{s})-~{n}-[(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-4-methyl-pentanamide
+Cc1ccc2c(c1)c(cn2S(=O)(=O)c3ccccc3Cl)[C@@H]4CNC(=N4)C	9YO	1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4r)-2-methyl-4,5-dihydro-1h-imidazol-4-yl]-1h-indole
+c1nc2c(n1C[C@H](COCCP(=O)(O)O)COCP(=O)(O)O)N=C(NC2=O)N	9YP	{[(2r)-2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methyl]-3-(2-phosphonoethoxy)propoxy]methyl}phosphonic acid
+CCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ncc4c(n3)N(c5ccc(cc5C(=O)N4C)C)C	9YQ	4-(propanoylamino)-~{n}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide
+CNC(=O)c1cnc(cc1N[C@@H](Cc2ccccc2)CO)Nc3ccc4c(c3)scn4	9YS	6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2s)-1-hydroxy-3-phenylpropan-2-yl]amino}-n-methylpyridine-3-carboxamide
+CC(=O)NCC[C@@H](C(=O)O)N	9YT	(2~{s})-4-acetamido-2-azanyl-butanoic acid
+COCCOCCOCCOCCOCCOCCOCCO	9YU	2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
+CN1CCC(CC1)NC(=O)c2ccc(cc2)Nc3cc(c(cn3)C(=O)N)NCc4ccccc4	9YV	4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)O)O)O)O)O	9YW	(alpha-d-glucopyranosyloxy)acetic acid
+c1ccc(cc1)CNc2cc(ncc2C(=O)N)Nc3ccc4c(c3)CC(=O)N4	9YY	4-(benzylamino)-6-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]pyridine-3-carboxamide
+CCC(=O)N1CCN(c2c1cccc2)C(=O)OC	9YZ	methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
+c1c(c([nH]c1C(=O)NCCCO)Br)Br	9Z0	4,5-dibromo-n-(3-hydroxypropyl)-1h-pyrrole-2-carboxamide
+CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)O	9Z1	(3e,7ar,12as)-6-hydroxy-3-[(1h-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1h,5h-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3h)-dione
+CCC(=O)Nc1ccc(cc1)c2ncccn2	9Z2	~{n}-(4-pyrimidin-2-ylphenyl)propanamide
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)O)O	9Z3	n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-l-cysteine
+CCC(=O)Nc1cccc(c1)CNc2c3cccn3ncc2C(=O)N	9Z4	4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CSSC[C@@H](C(=O)O)N)C(=O)O)O	9Z6	(5r,12r,17r)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name)
+CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)OC	9Z7	(3e,7ar,12as)-3-[(1h-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1h,5h-imidazo[1 ',2':1,2]pyrido[2,3-b]indole-2,5(3h)-dione
+c1ccc(cc1)NC(=O)CCCCCNC(=O)CS	9Z8	6-(2-mercaptoacetylamino)-n-phenylhexanamide
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(COC)COC)C)C)C)OC1	9Z9	(3beta,14beta,17beta,25r)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en
+C[C@@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	9ZA	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~{s})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
+CCC(=O)N1CCN(c2c1cccc2)CC	9ZB	1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
+CC(C)c1cc(c(cc1O)O)c2c(c([nH]n2)NC(=O)C)c3ccc(cc3)OC	9ZC	n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1h-pyrazol-5-yl}acetamide
+C[C@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	9ZD	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[(2~{r})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
+CC(=O)c1ccc2c(c1)OCCO2	9ZE	1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
+c1cc(c(c(c1NC(=O)NC2C3CC4CC(C3)CC2C4)F)F)F	9ZF	1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea
+CN(CN)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2	9ZG	(phenylmethyl) ~{n}-[(2~{s})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
+C[C@@H]1Nc2ccc(cc2[C@@](O1)(C#CC3CC3)C(F)(F)F)Cl	9ZJ	(2r,4s)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2h-3,1-benzoxazine
+C[C@H]1CC/C=C(/C[C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](CC(=O)O1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCN)C)\C	9ZK	(4~{r},7~{r},10~{s},13~{s},15~{e},19~{s})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{h}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
+COC(=O)Nc1ccc-2c(c1)NC(=O)CCc3c(ccc(n3)C[C@@H](c4[nH]cc2n4)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl)F	9ZM	methyl [(11s)-11-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2h-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate
+CC[C@@H]1C2NN=CN2c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CC6	9ZP	4-[[(4r)-5-cyclopentyl-4-ethyl-3a,4-dihydro-3h-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-n-cyclopropyl-3-methoxy-benzamide
+Cc1cc2c(cc1C)nc3c4ccc[n+]5c4c6c(c3n2)ccc[n+]6[Ru]578([n+]9cccc1c9c2[n+]7cccc2cc1)[n+]1cccc2c1c1[n+]8cccc1cc2	9ZQ	ru(phen)2(dppz-11,12-me2)
+c1cc(c(c(c1)Cl)c2[nH]c3ccnc(c3n2)NC(=O)C4CC4)Cl	9ZS	n-[2-(2,6-dichlorophenyl)-1h-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
+COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O	9ZT	(1r,2s,4s,5r)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
+c1ccc(cc1)CC2=NN3C(=Nc4ccccc4C3=NC2=O)CCC(=O)O	9ZV	3-(3-benzyl-2-oxo-2h-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid
+CC1=C(C(=O)Oc2c1ccc(c2)O[C@H](C)c3ccccc3)CN4CCOCC4	9ZW	4-methyl-3-(morpholin-4-ylmethyl)-7-[(1~{r})-1-phenylethoxy]chromen-2-one
+CC1=C(C(=O)Oc2c1ccc(c2)OC[C@@H](C)c3ccccc3)CN4CCOCC4	9ZX	4-methyl-3-(morpholin-4-ylmethyl)-7-[(2~{s})-2-phenylpropoxy]chromen-2-one
+CC1=CC(=O)Oc2c1c(nn2c3ccc(c(c3)C(=O)O)Cl)c4ccccc4	9ZY	2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6h)-yl)benzoic acid
+c1ccc(c(c1)C2=C3C=C(C(=O)C(=C3Oc4c2cc(c(c4I)O)I)I)I)C(=O)O	9ZZ	erythrosin
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	A	adenosine-5'-monophosphate
+CC(C)CN([C@@H](CCCCNC(=O)[C@H](C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)N	A00	n-[(5s)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+[B-](CNC(=O)c1c(cccc1OC)OC)(O)(O)O	A01	[(2,6-dimethoxyphenyl)carbonylamino]methyl-trihydroxy-boron
+[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	A02	(10r,20r,23r)-10-(4-aminobutyl)-1-[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide
+[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](C)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	A03	(10r,20r,23r)-1-[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide
+c1ccc(c(c1)c2ccc(o2)C(=O)O)OC(F)(F)F	A04	5-[2-(trifluoromethoxy)phenyl]-2-furoic acid
+c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)O	A05	5-(2-chloro-4-nitrophenyl)-2-furoic acid
+c1cc(ccc1[C@@H](Cc2[nH]c3ccc(cc3n2)Cl)CC(=O)O)Cl	A06	(3s)-4-(5-chloro-1h-benzimidazol-2-yl)-3-(4-chlorophenyl)butanoic acid
+CCCC(=O)Nc1c2cc(c(cc2[nH]n1)Cl)c3ccccc3	A07	n-(6-chloro-5-phenyl-1h-indazol-3-yl)butanamide
+c1cc(nc(c1)Cl)[C@@H](C#N)c2ccc(cc2)Cl	A08	(2s)-(4-chlorophenyl)(6-chloropyridin-2-yl)ethanenitrile
+c1ccc(cc1)S(=O)(=O)NO	A09	n-hydroxybenzenesulfonamide
+C([C@@H](C(=O)O)N)C(=O)OC=O	A0A	(2s)-2-amino-4-(formyloxy)-4-oxobutanoic acid
+c1c2c(c(c(c1Br)[O-])Br)OC3=C(C(=O)C(=CC3=C2c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)O)Br)Br	A0B	phloxine b
+Cc1cc(nc(n1)SCc2cc(no2)C(=O)N)C	A0C	5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide
+CC[N@]1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4	A0D	n-adamantan-2-yl-1-ethyl-d-prolinamide
+C(=C(/C(=O)O)\N)\O	A0G	(2z)-2-amino-3-hydroxyprop-2-enoic acid
+CS(=O)(=O)NCc1cccc(c1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl	A0H	n-(3-{3-chloro-8-[(4-morpholin-4-ylphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzyl)methanesulfonamide
+C[C@]1(c2cc(ccc2NC1=O)c3cnn(c3)C)Cc4ccccc4	A0J	3-benzyl-3-methyl-5-(1-methylpyrazol-4-yl)indolin-2-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(CO)CO)O)O)O)O	A0K	1,3-dihydroxypropan-2-yl alpha-d-glucopyranoside
+CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)Cc5nc(no5)C(C)(C)C)C	A0L	2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3h)-one
+CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C	A0O	7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N	A0P	9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-l-arabinofuranosyl}-9h-purin-6-amine
+CN1CCN(CC1)c2ccc(c(c2)C(=O)Nc3cccnc3)OCc4ccccc4	A0Q	5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{n}-pyridin-3-yl-benzamide
+COc1ccccc1/C=C/C(=O)c2ccc(cc2O)O	A0R	2',4'-dihydroxy-2-methoxychalcone
+Cc1ccc2c(c1)[C@H](N(CC(=O)N2)C(=O)c3ccc(o3)Br)c4ccc(cc4)F	A0S	(5r)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one
+CCNc1c(cnc(n1)Nc2cc(c(cc2OC)C(=O)N3CCOCC3)F)C(F)(F)F	A0T	[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone
+[H]/N=C\N(CC(=O)N(C)Cc1ccccc1)NC(=O)OC(C)(C)C	A0U	~{tert}-butyl ~{n}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate
+B(Cn1cc(nn1)C(=O)O)(O)OP(=O)(O)O	A0V	1-{[hydroxy(phosphonooxy)boranyl]methyl}-1h-1,2,3-triazole-4-carboxylic acid
+C1CCC(CC1)N2C(=C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O)O	A0W	2-[[1,3-dicyclohexyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid
+B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)OP(=O)(O)O	A0Y	phosphonooxy-[[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid
+c1nc2c(n1CCCCCCCC(=O)O)c(c(c(c2I)I)I)I	A0Z	8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid
+CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)Cl	A11	ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N	A12	phosphomethylphosphonic acid adenosyl ester
+Cc1cc(nc(n1)N)C(F)(F)F	A13	4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
+CC1([C@@H]([C@@H]2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C	A14	(1s,4s,5s,7r)-7-{[(5s)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid
+c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O	A15	3'-3"-dichlorophenol-1,8-3h-benzo[de]isochromen-1-one
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3CC([C@H]([C@@H]([C@H]3O)O)O)CO	A16	4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranosyl)-beta-d-glucopyranose 
+Cc1ccccc1c2c3ccc(cc3cnn2)c4cc(ccc4C)C(=O)NC5CC5	A17	n-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
+c1ccc(c(c1)Cc2ccc(o2)C(=O)O)Cl	A18	5-(2-chlorobenzyl)-2-furoic acid
+c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)O)Br)Cl	A19	5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid
+CC(C)[C@@H](C(=O)N[N@](Cc1ccccc1)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	A1A	6-amino hexanoic acid
+[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)C)O)(O)O	A1B	1-deoxy-alpha-l-xylulofuranose-1,2-borate
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)Cl)C	A1C	1-(3-chloro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@@H]4CCCC5=C4C=CC(=O)N5	A1E	(5r)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1h)-one
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3F)C	A1F	1-(2-fluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+C1C2CC3CC1CC(C2)(C3)[C@@H](C(=O)O)N	A1G	(2s)-amino[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid
+c1cn(nn1)C2=CNN(C2=O)c3cc(ncn3)N4CCOCC4	A1H	2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{h}-pyrazol-3-one
+c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)C2CC=CC2	A1I	n-(cyclopent-3-ene-1-carbonyl)-l-histidine
+B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP(=O)(O)O	A1J	3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid
+CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)C(=O)N4CCOCC4)Cl	A1K	[4-[[5-chloranyl-4-(methylamino)-7~{h}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone
+[H]/N=C(\NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)C[N-][N+]#N)/NC(=O)NC	A1L	[2-[[(2s)-1-[bis(phenylmethyl)amino]-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide
+B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)OP(=O)(O)O	A1M	phosphonooxy-[[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid
+C[C@@H]1CN(C[C@@H](O1)C)c2cc(ncn2)c3c4cc(ccc4[nH]n3)OC5(CC5)C	A1N	(2~{r},6~{s})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{h}-indazol-3-yl]pyrimidin-4-yl]morpholine
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3)C	A1O	quinabactin
+c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@H](=O)O)O	A1P	9-{2-deoxy-5-o-[hydroxy(oxido)phosphino]-beta-l-erythro-pentofuranosyl}-9h-purin-2-amine
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O	A1Q	methyl l-glycero-alpha-d-manno-heptopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N	A1R	5'-o-[(s)-{[(s)-{[(2r,3r,4s)-3,4-dihydroxypyrrolidin-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
+CC(C)CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	A1S	isopentyl-coenzyme a
+CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6	A1T	5-pentyl-n-{[4'-(piperidin-1-ylcarbonyl)biphenyl-4-yl]methyl}-n-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-2-carboxamide
+Cc1cnc(c(n1)C)O	A1U	3,5-dimethylpyrazin-2-ol
+c1cc(nc(c1c2nc(cs2)C(=O)O)c3csc(n3)c4csc(n4)CN)c5nc(cs5)C(=O)O	A1V	2,2'-(6-(2'-(aminomethyl)-[2,4'-bithiazol]-4-yl)pyridine-2,5-diyl)bis(thiazole-4-carboxylic acid)
+CCOC(=O)[C@H](CC(=O)N(CC(C)C)N)O	A1X	ethyl (2s)-2-hydroxy-4-[1-(2-methylpropyl)hydrazino]-4-oxobutanoate
+Cc1cc(nc(c1C#N)N2CCOCC2)C	A1Y	4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
+c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O	A1Z	vadadustat
+C(CN)CS(=O)(=O)O	A20	3-aminopropane-1-sulfonic acid
+C[C@@H](c1ccccc1F)NC2=NC(=O)[C@@](S2)(C)C(F)(F)F	A21	(5s)-2-{[(1s)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O)N	A22	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N	A23	adenosine-5'-phosphate-2',3'-cyclic phosphate
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCN3CCOCC3	A24	(3-nitro-5-(2-morpholin-4-yl-ethylaminocarbonyl)phenyl)-galactopyranoside
+c1cc2c(cc1Cl)NC(=O)Nc3cncc(n3)OCCCCCO2	A25	18-chloro-11,12,13,14-tetrahydro-1h,10h-8,4-(azeno)-9,15,1,3,6-benzodioxatriazacycloheptadecin-2-one
+C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/O	A26	(2z)-2-cyano-3-hydroxy-n-[4-(trifluoromethyl)phenyl]but-2-enamide
+CCCC(=O)Nc1c2cc(c(cc2[nH]n1)c3ccc(cc3)O)c4ccccc4	A27	n-[6-(4-hydroxyphenyl)-5-phenyl-1h-indazol-3-yl]butanamide
+CCCC(=O)Nc1c2cc(c(c(c2[nH]n1)F)F)c3ccccc3	A28	n-(6,7-difluoro-5-phenyl-1h-indazol-3-yl)butanamide
+c1cc(cc(c1)O)C(=O)C(=O)O	A29	2-(3-hydroxyphenyl)-2-oxo-ethanoic acid
+[B-]1(O[C@@H]2[C@H](CO[C@@]2(O1)CO)O)(O)O	A2B	l-xylulofuranose-1,2-borate
+[H]/N=C(\N)/c1cc(c(cc1)O)C=NCCN=Cc2c(ccc(c2)/C(=N\[H])/N)O	A2C	3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	A2D	bis{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@H]4CCCC5=C4C=CC(=O)N5	A2E	(5s)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1h)-one
+c1[nH]c2c(nc(nc2n1)F)N	A2F	2-fluoroadenine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O	A2G	2-acetamido-2-deoxy-alpha-d-galactopyranose
+[B-]12(c3c(ccc(c3[C@H](O1)CN)Cl)OCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-]	A2H	4-chloro-3-aminomethyl-7-[ethoxy]-3h-benzo[c][1,2]oxaborol-1-ol modified adenosine
+Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccccc3)C	A2I	2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-n-[3-(phenoxymethyl)phenyl]ethanamide
+c1ccc2c(c1)NC(=O)C(=N2)C(F)(F)F	A2J	3-(trifluoromethyl)quinoxalin-2(1h)-one
+C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]([C@@H]2C(=O)C5CC5)C=C)c6ccc(cc6)c7cccnc7	A2K	(8s,11r,13s,14s,16s,17s)-17-cyclopropylcarbonyl-16-ethenyl-13-methyl-11-(4-pyridin-3-ylphenyl)-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
+COCCO[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O	A2L	3'-o-methyoxyethyl-adenosine 5'-monophosphate
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	A2M	2'-o-methyladenosine 5'-(dihydrogen phosphate)
+CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1O)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	A2N	[(2r,3s,4r,5r)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccccc3	A2O	n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N	A2P	adenosine-2'-5'-diphosphate
+C1CC=CC(=O)C1	A2Q	cyclohex-2-en-1-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)N	A2R	[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)N(C)c3ccncc3)C4CCN(CC4)CCC(C)C	A2T	n-[1-(3-methylbutyl)piperidin-4-yl]-n-{4-[methyl(pyridin-4-yl)amino]benzyl}-4-pentylbenzamide
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3cc(c(c(c3)F)C)F	A2V	1-(3,5-difluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)Cn4ccnc4	A2W	3-(4-fluorophenyl)-4-(imidazol-1-ylmethyl)-1-phenyl-pyrazole
+Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)Sc3ccccc3)C	A2X	2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-n-(4-phenylsulfanylphenyl)ethanamide
+c1cc(sc1)c2cc(no2)C[NH2+]C34CC5CC(C3)CC(C5)C4	A2Y	(3s,5s,7s)-n-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium
+CC1=CC(=O)N(c2c1ccc3c2OCO3)C	A2Z	6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)N2	A31	n-{15-oxo-19-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-n'-(8-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3	A32	(3-nitro-5-(3-morpholin-4-yl-propylaminocarbonyl)phenyl)-galactopyranoside
+C(C(=O)O)C(CC(=O)O)(C(=O)O)N	A33	2-(carboxymethyl)-d-aspartic acid
+CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	A34	n6-methyl deoxyadenosine 5'-monophosphate
+CNc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	A35	2-amino deoxyadenosine 5'-monophosphate
+CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F	A36	n-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide
+c1cc2c(cc1Cl)nc(o2)NS(=O)(=O)c3cc(ccc3Cl)Cl	A37	2,5-dichloro-n-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	A38	8-oxy deoxyadenosine-5'-monophosphate
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	A39	2'-o-methyl-adenosine 5'-monophosphate
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	A3A	2'deoxy-alpha-anomeric-adenosine-5'-phosphate
+C=C[C@H](C(=O)[O-])[NH3+]	A3B	d-vinylglycine
+C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC[N@@](C)CCO[P@](=O)(O)OP(=O)(O)O)(C)C	A3C	2-(methyl{2-[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate
+CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	A3D	3-acetylpyridine adenine dinucleotide
+CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(cc3)CN4CCOCC4	A3E	5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine
+COc1cc(cc(c1OC)OC)c2cc(cnc2N)c3cccc(c3)O	A3F	3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N	A3G	3'-deoxy-3'-(glycylamino)adenosine
+Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)Nc4ccn(n4)C	A3H	4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile
+CCc1cc2c([nH]1)c(c(c(n2)C(F)(F)F)C#N)N3CC[C@](C3)(C)O	A3J	2-ethyl-7-[(3s)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1h-pyrrolo[3,2-b]pyridine-6-carbonitrile
+Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)N	A3K	6-azanyl-4-(3-methylphenyl)-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile
+CC(C)[C@@H](C(=O)N1CCCC1)N	A3M	2-amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one
+C#CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	A3N	5'-deoxy-5'-(prop-2-yn-1-ylamino)adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N	A3P	adenosine-3'-5'-diphosphate
+c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N	A3Q	4-(3-hydroxyphenyl)-1~{h}-pyrrolo[2,3-b]pyridine-3-carbonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C[C@H](CN4)O)O)O)N	A3R	 adenosine diphosphate (hydroxymethyl)pyrrolidine monoalcohol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N	A3S	serine-3'-aminoadenosine
+C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O	A3T	3'-deoxy-3'-(l-threonylamino)adenosine
+c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCN)O	A3V	(1r)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
+c1c(c(cnc1N)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F	A3W	5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
+C/C(=N\NC(=S)N)/c1ccc(c(c1)OC)O	A3X	n-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone
+c1c(c(c(nc1N2CCN(CC2)CCO)N3CCC[C@@H](C3)CO)C#N)C(F)(F)F	A3Y	6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3s)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+CNc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	A40	n2-methyl 2'-deoxyadenosine 5'-monophosphate
+Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccccc2	A41	5-methyl-2-[(phenylsulfonyl)amino]benzoic acid
+COc1cc(c(cc1NC(=O)Nc2cnc(cn2)C#N)Cl)OC	A42	1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-yl)urea
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N	A43	3'-amino deoxyadenosine 5'-monophosphate
+COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	A44	2'-o-methyoxyethyl-adenosine 5'-monophosphate
+c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)O	A45	3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-benzoic acid
+c1cc(ccc1[C@H](CO)O)NC(=O)c2cc3cc(ccc3[nH]2)Cl	A46	5-chloro-n-{4-[(1r)-1,2-dihydroxyethyl]phenyl}-1h-indole-2-carboxamide
+CONc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	A47	n6-methoxy adenosine 5'-monophosphate
+B(c1c(cc(cc1C)C)C)(c2c(cc(cc2C)C)C)N(CC(F)(F)F)c3ccc(cc3)O	A48	4-[(dimesitylboryl)(2,2,2-trifluoroethyl)amino]phenol
+C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCN(CC3)CC4(CC4)C(=O)N)(C(F)(F)F)O	A49	n-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-n-cyclopropyl-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
+c1ccc2c(c1)cc3c4c2c5c(cc4C(=O)N3)OCO5	A4A	[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6h)-one
+COc1ccccc1c2ccc(cc2Cl)CN	A4B	[3-chloranyl-4-(2-methoxyphenyl)phenyl]methanamine
+CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C	A4C	9,9'-(hexane-1,6-diyldiimino)bis{n-[2-(dimethylamino)ethyl]acridine-4-carboxamide}
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CS)O)O)N	A4D	5'-thioadenosine
+C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(c(n4)CO)Cc5ccc(cc5)F)(C)C	A4E	1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{r},5~{r})-5-methyl-2-[[(3~{r})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone
+c1cc(c(cc1N)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O	A4F	5-amino-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid
+Cc1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)CO	A4G	[(3r)-1-(5-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
+CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C2CC2)O)(C)C	A4H	(2~{z},4~{e})-3-cyclopropyl-5-[(1~{s})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid
+C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC	A4I	(1r,2r,4s)-4-{(2r)-2-[(3s,6r,7e,9r,10r,12r,14s,15e,17e,19e,21s,23s,26r,27r,30s,34as)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3h-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
+C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@@H]([C@H](C3)O)O)C(F)(F)F)C#N)O	A4J	6-[(3s,4s)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3s)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+CC1=CC(=O)CC([C@]1(C#C/C(=C\C(=O)O)/C(F)(F)F)O)(C)C	A4K	(~{e})-3-(trifluoromethyl)-5-[(1~{s})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid
+CC(=O)N[C@H](CCCCNc1c2ccc(cc2[nH+]c3c1cc(cc3)OC)Cl)C(=O)N[C@H](CCCCN)C(=O)C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NN[C@@H](CCCCN)C=O	A4L	9-[(5-(acetylamino)-6-{[(1s,4r)-8-amino-4-[((2r)-6-amino-2-{2-[(1s)-5-amino-1-formylpentyl]hydrazino}hexanoyl)amino]-1-(4-aminobutyl)-2,3-dioxooctyl]amino}-6-oxohexyl)amino]-6-chloro-2-methoxyacridinium
+Cc1nc(c2c(n1)n(cn2)C3CN(C3)C(=O)c4cc(n(n4)C)CN5CCN(CC5)C6CCCCCC6)N	A4M	[3-(6-amino-2-methyl-9h-purin-9-yl)azetidin-1-yl]{5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-methyl-1h-pyrazol-3-yl}methanone
+Cc1ccccc1c2ccc(cc2Cl)CN	A4N	[3-chloranyl-4-(2-methylphenyl)phenyl]methanamine
+c1cc(c(cc1O)O)/C=N/NC(=S)N	A4O	n-(2,4-dihydroxybenzylidene)-thiosemicarbazone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OCC4=NC5=C(NC4)N=C(NC5=O)N)O)O)N	A4P	6-(adenosine tetraphosphate-methyl)-7,8-dihydropterin
+CCc1ccccc1c2ccc(cc2Cl)CN	A4Q	[3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine
+Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4cccs4)NC(=O)C5CCCC5)C(C)C	A4R	n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CCC=C(C)CNc1ccccc1	A4S	(2e,6e)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate
+c1ccc(c(c1)c2ccc(cc2Cl)CN)F	A4T	[3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine
+c1ccc(cc1)C[n+]2cnc(c3c2[nH]cn3)N	A4V	3-benzyladenine
+c1cc(c(c(c1)Cl)F)NC(=O)CCS	A4W	~{n}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide
+Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccsc4)NC(=O)C5CCC(CC5)(F)F)C(C)C	A4X	4,4-difluoro-n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide
+Cc1ncc2c(n1)N[C@]3(N(C2)[C@H]([C@H](S3)CCOP(=O)(O)OP(=O)(O)O)C)[C@](C)([C@@](C)(C(=O)O)O)O	A4Y	(2s,3s)-2,3-dihydroxy-3-[(7s,8r,9as)-8-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9ah-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid
+CCCCOc1ccc(cc1)CC(=O)NO	A4Z	2-(4-butoxyphenyl)-n-hydroxyacetamide
+CCCCCc1ccc(cc1CCc2ccccn2)c3ccc(cc3)S(=O)(=O)CCO	A50	2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol
+c1ccc(cc1)N\C=C\2/CCOC2=O	A51	(3e)-3-[(phenylamino)methylidene]dihydrofuran-2(3h)-one
+[B-]12(c3c(cccc3OCC)[C@H](O1)CN)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-]	A52	3-aminomethyl-7-(ethoxy)-3h-benzo[c][1,2]oxaborol-1-ol modified adenosine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)c4ccc5c(c4)/C(=C/c6ccc[nH]6)/C(=O)N5)N	A53	5-{5-[(s)-2-amino-3-(1h-indol-3-yl)-propoxyl]-pyridin-3-yl}-3-[1-(1h-pyrrol-2-yl)-meth-(z)-ylidene]-1,3-dihydro-indol-2-one
+c1ccc(cc1)[C@@H](CCN)Oc2cc(ccc2C#N)Cl	A54	2-[(1r)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile
+c1cc(c2c(c1F)C(=N[C@@H](N2)CCNC(=O)c3ccoc3)N)F	A55	n-[2-(4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl)ethyl]-3-furamide
+c1ccc2cc(c(cc2c1)c3nc(nc(n3)N)N)Br	A56	6-(3-bromo-2-naphthyl)-1,3,5-triazine-2,4-diamine
+Cc1cc([n+](c(c1)C(C)C)CCc2cnc[nH]2)C(C)C	A57	1-[2-(1h-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium
+CC1CCC(CC1)NCc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(cc5)C(=O)O	A58	4-(6-{[(4-methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid
+CCCCCc1ccc(cc1/C=C\c2ccccn2)c3ccc(cc3)S(=O)(=O)CCO	A59	2-({4'-pentyl-3'-[(z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol
+C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	A5A	'5'-o-(n-(l-alanyl)-sulfamoyl)adenosine
+COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F	A5B	alisertib 
+C([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O	A5C	alpha-l-talofuranose
+c1ccc(cc1)CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	A5D	(2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol
+c1cc(sc1)C2=NNC(=O)CC2	A5E	3-thiophen-2-yl-4,5-dihydro-1~{h}-pyridazin-6-one
+CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#C[C@@H]2C[C@H]2CO)N	A5F	n-[(2s)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1r,2r)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide
+CC1(CCN(CC1)c2nn3c(cnc3s2)c4ccc(cc4F)F)N	A5G	1-[(4s)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine
+c1cc(ccc1C2=CSC3=NCCN23)Cl	A5H	3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
+COc1cc(cc(c1O)OC)/C=N/NC(=S)N	A5I	n-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone
+c1c(c(nc(c1N(O)O)N)O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	A5J	(1r)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-d-erythro-pentitol
+c1c(cnc(c1Cl)N2CCCNCC2)C(F)(F)F	A5K	1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N	A5L	9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-9h-purin-6-amine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N	A5M	2'-amine-cytidine-5'-monophosphate
+[H]/N=C(\C[C@@H](C(=O)O)N)/OC(=O)O	A5N	o-carboxy-4-imino-l-homoserine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	A5O	adenine arabinose-5'-phosphate
+C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O	A5P	arabinose-5-phosphate
+c1cc(ccc1c2c(snn2)N)C(F)(F)F	A5Q	4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine
+C(CCC(=O)O)CC(=O)[C@H](CCCNC(=[NH2+])N)N	A5R	amino{[(4s)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium
+c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F	A5T	(1r,5s)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-n-cyclopropyl-n-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
+CC(C)(C)OC(=O)NC(C)(C)[C@@H](C(=O)OC)N	A5U	methyl (2s)-2-azanyl-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
+c1cc(cc(c1)OCC2CCCCC2)[C@H](CCN)O	A5V	(1s)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
+COc1ccccc1C2CCN(CC2)C(=O)C3CCC3	A5W	cyclobutyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)P(=O)O)CCOP(=O)(O)OP(=O)(O)O	A5X	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1s)-1-hydroxy-1-[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+c1ccc(cc1)N2C(=O)c3cn(nc3N=C2SCc4cccc(c4)F)C5COC5	A5Y	6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+Cc1c(c(no1)c2c(cccc2Cl)Cl)CO	A5Z	[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	A60	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5	A61	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate
+c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)O)Cl	A62	(3r)-4-(4-chlorophenyl)-1-[(3s,4r)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one
+COc1ccc(cc1)C2=CC(=O)c3ccccc3O2	A63	2-(4-methoxyphenyl)-4h-chromen-4-one
+CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2	A64	4'-isopropylflavone
+CSc1c(c(sn1)SC)CO	A65	[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol
+c1nc(c2c(n1)n(cn2)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O)N	A66	2-aminoethyllysine-carbonylmethylene-adenine
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)C	A68	n~2~-acetyl-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-l-isoleucinamide
+c1ccc(cc1)CCC[N@@](C[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)O)O)S(=O)(=O)c4ccc5c(c4)scn5	A69	n-{(2s,3r)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide
+c1nc(c2c(n1)n(cn2)[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)O)N	A6A	2-(6-amino-9h-purin-9-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)N2	A6B	(3s,5s,7s)-n-[6-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+C1[C@H]([C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)N2C=CC(=NC2=O)N	A6C	2-(4-amino-2-oxopyrimidin-1(2h)-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol
+c1cc(cc(c1)[N+](=O)[O-])CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	A6D	(2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol
+c1cc(ccc1OCCC(=O)N2CCSCC2)F	A6E	3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one
+c1nc2c(n1[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COP(=O)(O)O)N=C(NC2=O)N	A6G	2-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-1,5-anhydro-2-deoxy-6-o-phosphono-d-altritol
+c1cc(c(c(c1)Cl)Oc2ccc(cn2)N)Cl	A6H	6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine
+C[C@@H](C(=O)NCc1ccc(cc1)C(=O)NO)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	A6I	n-[(benzyloxy)carbonyl]-l-leucyl-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-l-alaninamide
+COc1c(c(c(c(c1F)F)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4c(c(c(c(c4F)F)OC)F)F)OS(=O)(=O)O)CO)O)F)F	A6J	(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-b-d-galactopyranosyl)-(3-deoxy-3-(2,3,5,6-tetra-fluoro-4-methoxy-benzamido)-2-o-sulfo-b-d-galactopyranosyl)-sulfide
+c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)N)Cl	A6K	(3r)-3-azanyl-4-(4-chlorophenyl)-1-[(3s,4r)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
+CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O	A6L	2,3-dihydroxypropyl (9z)-octadec-9-enoate
+c1cc(ccc1C[C@H](CC(=O)N2C[C@H]([C@@H](C2)c3ccc(cc3)Cl)CO)N)Cl	A6M	(3r)-3-amino-4-(4-chlorophenyl)-1-[(3r,4s)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
+c1ccc(cc1)n2cc(nn2)COc3ccc(cc3)S(N)(O)O	A6N	4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole
+CC[C@]1([C@H](CCC1=O)O)C/C=C/2\CCCc3c2ccc(c3)OC	A6O	(2r,3s)-2-ethyl-2-[(2e)-2-(6-methoxy-3,4-dihydro-2h-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one
+C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O	A6P	6-o-phosphono-alpha-d-allopyranose
+CCNC(=S)N/N=C/c1ccc(c(c1)O)O	A6Q	n-(3,4-dihydroxybenzylidene)-thiosemicarbazone
+CC1=N[Pt]2N=C(O[As]2(O1)(O)O)C	A6R	arsenoplatin-1
+COc1cccc(c1)c2cc(ccn2)n3cc(c4c3cc(cc4)F)CNCC5CCCCC5	A6S	1-cyclohexyl-n-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1h-indol-3-yl}methyl)methanamine
+c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@H]4CNC[C@@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F	A6T	(1s,5r)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-n-cyclopropyl-n-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
+C1[C@H]([C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)N2C=CC(=O)NC2=O	A6U	1,5-anhydro-2-deoxy-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-altritol
+CC1=C(C(CCC1)(C)C)COc2cccc(c2)[C@@H](CCN)O	A6V	(1r)-3-amino-1-{3-[(2,6,6-trimethylcyclohex-1-en-1-yl)methoxy]phenyl}propan-1-ol
+COC(=O)c1c(cc(s1)c2cccs2)N	A6W	methyl 3-azanyl-5-thiophen-2-yl-thiophene-2-carboxylate
+Cc1ccc(c(c1)Cn2c3ccccc3nc2[C@H](c4ccncc4)O)C	A6Y	(s)-{1-[(2,5-dimethylphenyl)methyl]-1h-benzimidazol-2-yl}(pyridin-4-yl)methanol
+c1cc(cc(c1)Cl)N2CC[NH+](CC2)CC#N	A6Z	2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile
+CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C[C@@H](C(C)C)C(=O)NCCCC)O)N2CCN([C@@H](C2=O)Cc3ccccc3)C(=O)N4CCN(CC4)C	A70	n-ethyl-n-[(4-methylpiperazin-1-yl)carbonyl]-d-phenylalanyl-n-[(1s,2s,4r)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hyd roxy-5-methylhexyl]-l-norleucinamide
+C(CCC[NH2][Pt]([NH3])([NH3])[NH3])CCN	A71	(6-aminohexylamine)(triammine) platinum(ii) complex
+CCCCCC[NH2][Pt]([NH3])([NH3])[NH2]CCCCCC	A72	trans-bis(hexylamine)-(diammine) platinum(ii) complex
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Br	A73	2-(4-bromophenyl)-4h-chromen-4-one
+COc1ccc(cn1)c2cc(cc3c2oc(n3)NS(=O)(=O)c4cc(ccc4Cl)Cl)OC	A74	2,5-dichloro-n-[5-methoxy-7-(6-methoxypyridin-3-yl)-1,3-benzoxazol-2-yl]benzenesulfonamide
+c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3	A75	2-[(phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4	A76	n-{1-benzyl-(2r,3r)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4	A77	n-{1-benzyl-(2r,3s)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3cccc[nH+]3)O)NC(=O)N(C)Cc4cccc[nH+]4	A78	n-{1-benzyl-3-hydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4	A79	n-{1-benzyl-(2s,3s)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+Cc1ccc(c(c1)Cn2c3cc(ccc3nc2[C@@H](c4ccncc4)O)c5cnn(c5)C)C	A7A	(r)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1h-pyrazol-4-yl)-1h-benzimidazol-2-yl}(pyridin-4-yl)methanol
+CC1=CC(=O)Nc2c1cccc2OC	A7B	8-methoxy-4-methylquinolin-2(1h)-one
+c1cc(ccc1n2cc(nn2)c3c4c(ncnc4n(n3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(O)(O)O)O)O)N)Br	A7C	3-[1-(4-bromophenyl)-1h-1,2,3-triazol-4-yl]-1-[5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-ribofuranosyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@H](CO)O)O)O)N	A7D	5'-s-[(3r)-3,4-dihydroxybutyl]-5'-thioadenosine
+C#Cc1c2c(ncnc2n(n1)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	A7E	3-ethynyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1nc2ccc(cc2n1Cc3ccccc3OC(F)F)c4ccc(nc4)N5CCNCC5	A7G	1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1h-benzimidazole
+CCOc1ccc2c(c1)sc(n2)C	A7H	6-ethoxy-2-methyl-1,3-benzothiazole
+CC(C)N1CCC(CC1)NS(=O)(=O)CCNC(=O)c2ccc(s2)Cl	A7I	5-chloro-thiophene-2-carboxylic acid [2-(1--isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide
+c1ccc(c(c1)C[NH3+])N2CCC(CC2)CO	A7K	[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylazanium
+CCNC(=S)N/N=C/c1cc(ccc1O)O	A7L	n-(2,5-dihydroxybenzylidene)-thiosemicarbazone
+Cc1ccc(c(c1)Cn2c3ccccc3nc2CO)C	A7M	{1-[(2,5-dimethylphenyl)methyl]-1h-benzimidazol-2-yl}methanol
+CCOc1ccc(cc1)[C@@H](C)N	A7N	(1~{r})-1-(4-ethoxyphenyl)ethanamine
+COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O	A7O	(3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2s)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone
+c1ccc(cc1)Oc2ccc(cn2)CO	A7Q	(6-phenoxypyridin-3-yl)methanol
+c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]3[C@H]([C@H]([C@H](O3)N4C=CC(=NC4=O)N)O)O)O)O)C(=O)N	A7R	[[(2s,3s,4r,5s)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4r,5s)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)F)C	A7S	1-(3-fluoro-4-methylphenyl)-n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
+Cc1cccc(c1C)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)OCCOc6c(cc(cc6Cl)C)Cl	A7T	(1r,5s)-n-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-n-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
+c1cc2cc(cnc2c(c1)N)O	A7W	8-amino-3-quinolinol
+CN([C@@H]1CCN(C1)Cc2ccc(cc2)Cl)C(=O)c3cc(nc4c3cccc4)c5cccc(c5)OC	A7Y	n-{(3r)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-n-methylquinoline-4-carboxamide
+COc1cccc(c1)c2c(n(cn2)CC#C)c3ccc(cc3)OS(=O)(=O)F	A7Z	4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1h-imidazol-5-yl]phenyl sulfurofluoridate
+CC1(CCC(c2c1ccc(c2)NC(=O)c3ccc(cc3)C(=O)O)(C)C)C	A80	4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid
+C1=C(C=NC2=C(C(=O)NN21)Br)c3c(c(n[nH]3)C4=CN5C(=C(C(=O)N5)Br)N=C4)[N+](=O)[O-]	A81	6,6'-(4-nitro-1h-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1h)-one)
+CC1=CN2C(=O)C=C(N=C2C(=C1)[C@@H](C)Nc3ccccc3C(=O)O)N4CCOCC4	A82	2-[[(1r)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)n2cc(nn2)CNC(=O)c3ccc(cc3)CNC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC	A83	tert-butyl 4-[({[1-((1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1h-1,2,3-triazol-4-yl]methyl}amino)carbonyl]benzylcarbamate
+CN(C)C\C=C/c1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)F	A84	2-[({2-[(1z)-3-(dimethylamino)prop-1-enyl]-4-fluorophenyl}sulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(C([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)(F)F)(O)O)NC(=O)N(C)Cc4ccccn4	A85	n-{1-benzyl-2,2-difluoro-3,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide
+C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O	A86	(3s,3's,5r,5'r,6s,6'r,8'r)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate
+CCCCN(CCc1c[nH]c2c1ccc(c2)O)CCC3CCCCCC3	A87	3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{h}-indol-6-ol
+COc1cc(ccc1O)CN2[C@@H]([C@@H](C[N@](N(C2=O)Cc3ccc(c(c3)OC)O)Cc4ccccc4)O)Cc5ccccc5	A88	(5r,6r)-2,4-bis-(4-hydroxy-3-methoxybenzyl)-1,5-dibenzyl-3-oxo-6-hydroxy-1,2,4-triazacycloheptane
+Cc1cc(ccc1Br)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c3cccc(c3)I)C(=O)N	A89	n-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithinamide
+c1ccc2c(c1)c(ccn2)NCCCCCCCCNc3c4ccccc4nc5c3CCCC5	A8B	n-quinolin-4-yl-n'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
+CSCCC(=O)O	A8C	3-(methylsulfanyl)propanoic acid
+COc1ccc2c(c1)cc([nH]2)C(=O)NS(=O)(=O)C	A8D	5-methoxy-n-(methylsulfonyl)-1h-indole-2-carboxamide
+C=C(C[C@@H](C(=O)O)N)Br	A8E	(2s)-2-amino-4-bromopent-4-enoic acid
+Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCCCC3	A8F	1-[1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one
+C1CO[C@@H]1C(=O)O	A8G	(2s)-oxetane-2-carboxylic acid
+c1ccc(cc1)[C@H]2CC[C@H]3[C@@H](C2)C(=O)NC3=O	A8H	(3~{a}~{r},5~{s},7~{a}~{s})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione
+c1cc(ccc1O)Sc2ccc(cc2)O	A8K	4-(4-hydroxyphenyl)sulfanylphenol
+Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCC(CC3)O	A8L	1-[1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCCN)O)O)N	A8M	5'-[(3-aminopropyl)(methyl)amino]-5'-deoxy-8-methyladenosine
+c1ccc2c(c1)c(c3c([nH+]2)CCCC3)NCCCCCCCC[NH3+]	A8N	n-9-(1',2',3',4'-tetrahydroacridinyl)-1,8-diaminooctane
+Cc1cc(c(n1c2ccc(cc2)C#N)C)C(=O)CN3CCC(CC3)O	A8O	4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1h-pyrrol-1-yl}benzonitrile
+CCCCCCCCNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C[NH2+]4)O)O)O)O)N	A8P	8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediol
+CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+]	A8Q	[3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium
+CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C	A8S	(2z,4e)-5-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
+CC(C)(c1ccc(nc1)N2CCN(CC2)c3c4ccccc4c(nn3)Cc5ccccc5)O	A8T	2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol
+CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(CC5)N	A8U	propyl (2~{r})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate
+c1cc(cc(c1)OCC2CCCCC2)[C@H](CCO)O	A8V	(1s)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C	A8W	pregnenolone sulfate
+c1ccc2c(c1)c3c(n2CCC(=O)O)CC[C@H](C3)NS(=O)(=O)c4ccc(cc4)F	A8X	3-[(3r)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
+C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O	A8Z	tetrahydrodeoxycorticosterone
+c1cc(ccc1CCNS(=O)(=O)c2ccc(cc2)Cl)CC(=O)O	A90	2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid
+Cc1cc(nc(n1)N)C#Cc2ccccc2CNN3C=COC3=O	A91	3-({2-[(2-amino-6-methylpyrimidin-4-yl)ethynyl]benzyl}amino)-1,3-oxazol-2(3h)-one
+c1cc(c2c(c1)nc([nH]2)c3ccc(cc3F)[C@@H]4CCCCN4)C(=O)N	A92	2-{2-fluoro-4-[(2s)-piperidin-2-yl]phenyl}-1h-benzimidazole-7-carboxamide
+Cc1cc(cc(c1O)C)\C=C\c2cccc(c2)C(=O)Oc3ccc(cc3)F	A93	4-fluorophenyl 3-[(e)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate
+Cc1cc(nc(n1)N)CNS(=O)(=O)c2cccc(c2)N\C=C\3/CCOC3=O	A94	n-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-{[(e)-(2-oxodihydrofuran-3(2h)-ylidene)methyl]amino}benzenesulfonamide
+COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3)NC(=O)c4ccco4	A95	n-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)furan-2-carboxamide
+c1cc(cc(c1)Nc2c3ccc(c(c3on2)C(=O)Nc4cncnc4)Cl)C(F)(F)F	A96	6-chloro-n-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide
+CCCC1=C(C(=O)NC(=C1)C)CNC(=O)c2cc(cc3c2cnn3C(C)C)c4ccnc(c4)N5CCN(CC5)C	A97	n-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-(propan-2-yl)-1h-indazole-4-carboxamide
+CCSc1nnc(s1)NC(=O)OC	A98	methyl ~{n}-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate
+C[C@@H](c1ccccc1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	A99	5'-o-[(s)-hydroxy{[(r)-hydroxy({(s)-hydroxy[(1s)-1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl]adenosine
+c1cc(ccc1c2ccc(o2)C(=O)NN)Cl	A9B	5-(4-chlorophenyl)furan-2-carbohydrazide
+CC(C)(C)/C=C(\C#N)/C(=O)N[C@@H]1CCC[C@@H]1OCc2cccc(c2)CNC(=O)c3ccc(cc3)CN4CCN(CC4)C	A9C	n-{[3-({[(1s,2r)-2-{[(2e)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)O)C(=O)OC[C@@H](C(=O)O)N	A9D	(2s)-2-amino-2-carboxyethyl 1-carboxy-l-prolyl-l-prolinate
+CCc1ccc(cc1)OCC(=O)N2CCCCC2	A9E	2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone
+CC(C)(C)/C=C(\C#N)/C(=O)N[C@H]1CCC[C@H]1OCc2cccc(c2)CNC(=O)c3ccc(cc3)CN4CCN(CC4)C	A9F	n-{[3-({[(1r,2s)-2-{[(2e)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+CC[C@H](C)n1cc(c2c1cc(cc2C(=O)NCC3=C(C=C(NC3=O)C)C)c4ccc(nc4)N5CCNCC5)C	A9G	1-[(2s)-butan-2-yl]-n-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1h-indole-4-carboxamide
+CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C	A9H	abietic acid
+FP(F)(F)(F)(F)F	A9J	hexafluorophosphate anion
+c1ccc(c(c1)c2ccc(cc2Cl)CN)O	A9K	2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol
+CCOc1cc(ccc1OC)[C@@H](CS(=O)(=O)C)N2C(=O)c3cccc(c3C2=O)NC(=O)C	A9L	n-{2-[(1s)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}acetamide
+CCCCCCCCCCCCCCCCCCCC(=O)NCCO	A9M	n-(2-hydroxyethyl)icosanamide
+Cc1ccc(cc1S(=O)(=O)NC2C=C2)c3c(noc3C)C	A9N	n-cycloprop-2-en-1-yl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-benzenesulfonamide
+CCc1c(c(no1)C)c2ccccc2	A9O	5-ethyl-3-methyl-4-phenyl-1,2-oxazole
+Cc1c(c(on1)C)c2ccccc2	A9P	3,5 dimethyl-4-phenyl-1,2-oxazole
+COc1ccc(c(c1)CN2Cc3cc(c(cc3NC2=O)OS(=O)(=O)N)OC)OC	A9Q	3-(2,5-dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1h)-one
+Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4ccccn4	A9R	7-methoxy-6-(1-methyl-1h-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine
+CC1=CC(=O)CC([C@@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C	A9S	(2z,4e)-5-[(1r)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
+c1cc(ccc1CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5ccc(cc5n4)C(=O)N)Cl	A9T	2-(4-{[1-(4-chlorobenzyl)piperidin-4-yl]methoxy}phenyl)-1h-benzimidazole-5-carboxamide
+c1ccc(cc1)CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5cc(ccc5n4)C(=O)N	A9U	2-{4-[(1-benzylpiperidin-4-yl)methoxy]phenyl}-1h-benzimidazole-6-carboxamide
+c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCO)O	A9V	(1r)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol
+Cc1ccc(c(c1)c2ccc(cc2Cl)C[NH3+])O	A9W	[3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium
+Cc1c(c(n(n1)c2[nH]c3ccccc3n2)O)[C@H]4c5ccccc5C(=O)O4	A9Y	(3r)-3-[1-(1h-benzimidazol-2-yl)-5-hydroxy-3-methyl-1h-pyrazol-4-yl]-2-benzofuran-1(3h)-one
+CCc1cn(nn1)[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4N)COP(=O)(O)O)O	A9Z	2'-deoxy-2'-(4-ethyl-1h-1,2,3-triazol-1-yl)adenosine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)c(c3ccccc3[nH+]2)N	AA	9-aminoacridine
+Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccnc(c5)N6CCOCC6	AA0	n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide
+CCOC(=O)CCC(=O)N(CC(=O)O)N	AA1	[1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid
+CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCOCC4)Cl)N	AA2	4-aryl-2-phenylamino pyrimidine
+CCC(C(=O)O)N	AA3	2-aminobutyric acid
+C(C[C@@H](C(=O)O)N)CO	AA4	2-amino-5-hydroxypentanoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCSC)C(=O)O)O	AA5	n-[(3-hydroxy-2-methyl-5-{[(trihydroxyphosphoranyl)oxy]methyl}pyridin-4-yl)methylene]methionine
+CN[C@@H](Cc1cc(c(cc1NCO)O)O)C(=O)O	AA6	3-[4,5-dihydroxy-2-2-(2-hydroxyethylamino)-phenyl]-2-methylamino-propionic acid
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCNc4c5ccccc5nc6c4CCCC6	AA7	n,n'-di-1,2,3,4-tetrahydroacridin-9-ylheptane-1,7-diamine
+C[C@H](C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C(/C)\C=C\[C@@H](CCCC(=O)O)O	AA8	anguinomycin a, bound form
+CCNc1cc(cc(c1)N(c2ccccc2)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O	AA9	n-((1s,2r)-3-(((1s)-2-(cyclohexylamino)-1--methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide
+Cc1ccc(c(c1)N[C@@H](c2c(cccc2Br)Br)C(=O)N)C(=O)C	AAA	(2-acetyl-5-methylanilino)(2,6-dibromophenyl)acetamide
+C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O	AAB	2'-deoxy-ribofuranose-5'-monophosphate
+CC(=O)NCC(=O)O	AAC	acetylamino-acetic acid
+C[S@@+](CCON)C[C@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	AAD	(2-aminooxy-ethyl)-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-methyl-sulfonium
+CC(=O)CC(=O)O	AAE	acetoacetic acid
+COC(=O)c1ccc(cc1)NC(=O)NC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN	AAF	methyl 4-{[({[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate
+CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O	AAG	n-alpha-l-acetyl-arginine
+c1cc(ccc1C[N@@](CCCCC(=O)O)CP(=O)(O)O)[N+](=O)[O-]	AAH	1-[n-4'-nitrobenzyl-n-4'-carboxybutylamino]methylphosphonic acid
+CCCN1CCC(CC1)c2[nH]c3c(cccc3n2)C(=O)N	AAI	trans-4-(7-carbamoyl-1h-benzimidazol-2-yl)-1-propylpiperidinium
+CCC(=O)N1CCN(c2c1cccc2)C(=O)OC(C)(C)C	AAK	~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
+C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O	AAL	3,6-anhydro-alpha-l-galactopyranose
+c1nc(c2c(n1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	AAM	alpha-adenosine monophosphate
+c1cc(ccc1CC(=O)O)[N+](=O)[O-]	AAN	2-(4-nitrophenyl)acetic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO	AAO	acarbose derived hexasaccharide
+Cc1ccc(c(c1)N[C@@H](c2c(cccc2Cl)Cl)C(=O)N)C(=O)C	AAP	alpha-(2,6-dichlorophenyl)-alpha-(2-acetyl-5-methylanilino)acetamide
+CNc1[nH]c2cc3c(c(c2n1)CCNCc4ccccc4)N=C(NC3=O)N	AAQ	6-amino-4-[2-(benzylamino)ethyl]-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C(C[C@@H](C(=O)N)N)CNC(=[NH2+])N	AAR	arginineamide
+CC(=O)O[Hg]c1cc(ccc1N)S(=O)(=O)N	AAS	3-actoxymercuri-4-aminobenzenesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC(=CCN)CCCCCN)O)O)N	AAT	s-adenosyl-1,8-diamino-3-thiooctane
+COc1cc(ccc1O)CN2[C@@H]([C@@H](CN(N(C2=O)Cc3ccc(c(c3)OC)O)C(=O)CCc4ccc(cc4)O)O)Cc5ccccc5	AAU	(5r,6r)-5-benzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1-[3-(4-hydroxyphenyl)propanoyl]-1,2,4-triazepan-3-one
+Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)Nc5ccon5	AAV	n-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide
+COc1ccc(cc1Nc2ncc(o2)c3cccc(c3)c4cccnc4)S(=O)(=O)NCC5CC5	AAX	n-(cyclopropylmethyl)-4-(methyloxy)-3-({5-[3-(3-pyridinyl)phenyl]-1,3-oxazol-2-yl}amino)benzenesulfonamide
+CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H]3C[C@H](CC(=O)N3Cc4ccc5c(c4)ccc(c5CO)OC)O)C	AAY	8-[2-((2s)-4-hydroxy-1-{[5-(hydroxymethyl)-6-methoxy-2-naphthyl]methyl}-6-oxopiperidin-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate
+CCS(=O)(=O)c1ccc(c(c1)Nc2ncc(o2)c3cccc(c3)c4ccccn4)OC	AAZ	n-[5-(ethylsulfonyl)-2-methoxyphenyl]-5-[3-(2-pyridinyl)phenyl]-1,3-oxazol-2-amine
+COCO[C@H]1C[C@@H]2[C@H]([C@@H]([C@@H]3[C@@H](O2)CC=CCO3)O)O[C@@H]1CC(=O)O	AB0	3,7:6,10:9,14-trianhydro-2,5,11,12,13-pentadeoxy-4-o-(methoxymethyl)-l-arabino-l-allo-tetradec-12-enonic acid
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C	AB1	n-{1-benzyl-4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-5-phenyl-pentyl}-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)n2cc(nn2)COC(=O)N[C@@H]3c4ccccc4C[C@H]3O)O)S(=O)(=O)c5ccc(cc5)OC	AB2	[1-((1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)-1h-1,2,3-triazol-4-yl]methyl (1r,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-ylcarbamate
+CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N	AB3	3-(4-amino-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)phenol
+c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cc(ccc4Cl)Cl)O	AB4	2,5-dichloro-n-[4-hydroxy-3-(2-hydroxy-1-naphthyl)phenyl]benzenesulfonamide
+[B-](CCCC[C@@H](C(=O)O)[NH3+])(O)(O)O	AB5	2(s)-amino-6-boronohexanoic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@@H](CCN)O)OCCNCCCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)N	AB6	(2r)-4-amino-n-((1r,2s,3r,4r,5s)-5-amino-4-[(2-amino-2-deoxy-alpha-d-glucopyranosyl)oxy]-2-{2-[(3-aminopropyl)amino]ethoxy}-3-hydroxycyclohexyl)-2-hydroxybutanamide
+CC[C@@H](C(=O)O)N	AB7	alpha-aminobutyric acid
+CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@@H](N(C(=O)O3)Cc4ccc(c(c4)OC)O)CC(=O)NC)C	AB8	(1s,3r,8as)-8-(2-{(4s,6s)-3-(4-hydroxy-3-methoxybenzyl)-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl}ethyl)-3 ,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2r)-2-methylbutanoate
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@@H](CCN)O)OCCNCCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)N	AB9	(2r)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide
+CC[C@@H](C(=O)O)N	ABA	alpha-aminobutyric acid
+CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2nc3ccccc3s2)O	ABB	(2s,4r)-1-acetyl-n-[(1s)-4-[(aminoiminomethyl)amino]-1-(2-benzothiazolylcarbonyl)butyl]-4-hydroxy-2-pyrrolidinecarboxamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)C)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)O)O)O)O)CO	ABC	modified acarbose hexasaccharide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O	ABD	acarbose derived hexasaccharide
+C[C@@H]1[C@@H](C[C@H]([C@H](O1)O)O)O	ABE	alpha-d-abequopyranose
+C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O	ABF	5-o-phosphono-beta-d-arabinofuranose
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N	ABG	adenosine 5'-[beta,gamma-methylene]triphosphate
+[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O	ABH	2(s)-amino-6-boronohexanoic acid
+c1cc2c(cc1C(=[NH2+])N)[nH]cn2	ABI	5-amidino-benzimidazole
+CC(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N	ABJ	3-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]phenol
+C([C@@H](C(=O)C(=O)O)N)C(F)F	ABK	3-amino-5,5-di-fluoro-2-keto-pentan-1-oic acid
+C([C@@H]1[C@H]([C@@H]([C@H](C(=O)N1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	ABL	(2r,3r,4r,5r)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-d-glucopyranoside
+C[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	ABM	methyl phosphonic acid adenosine ester
+c1ccc(cc1)CN	ABN	benzylamine
+COc1cc(ccc1O)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4	ABO	4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-2-methoxyphenol
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N	ABP	8-bromoadenosine-5'-diphosphate
+CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)N[C@@H]4COC[C@@H]4c5ccc(cc5)F	ABQ	[4-amino-7-(propan-2-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl](6-{[(3s,4r)-4-(4-fluorophenyl)tetrahydrofuran-3-yl]amino}pyrazin-2-yl)methanone
+c1ccc(cc1)[C@H](CNc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O	ABR	(r)-(n-phenyl-2-hydroxy-ethyl)-2'-deoxy-adenosine-5'-monophosphate
+c1ccc(cc1)[C@@H](CNc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O	ABS	(s)-(n-phenyl-2-hydroxy-ethyl)-2'-deoxy-adenosine-5'-monophosphate
+B=P(O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])O[P@](=O)(O)OP(=O)(O)O	ABT	3'-azido-3'-deoxy-thymidine-5'-alpha borano triphosphate
+C(CC(=O)O)CN	ABU	gamma-amino-butanoic acid
+c1ccc2c(c1)nc(s2)N	ABV	1,3-benzothiazol-2-amine
+CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](O1)C(=O)O)C(=O)OC)NC(=O)C	ABW	5-[1-(acetylamino)-3-methylbutyl]-2,5-anhydro-3,4-dideoxy-4-(methoxycarbonyl)pentonic acid
+CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)O)C(=O)OC)NC(=O)C	ABX	5-[1-(acetylamino)-3-methylbutyl]-4-(methoxycarbonyl)proline
+COc1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CCCN	ABY	n-(4-aminobutanoyl)-s-(4-methoxybenzyl)-l-cysteinylglycine
+c1cc(ccc1C#N)Nc2nc(nc(n2)N)Cc3c4cc[nH]c4ccc3Cl	ABZ	4-[4-amino-6-(5-chloro-1h-indol-4-ylmethyl)-[1,3,5]triazin-2-ylamino]-benzonitrile
+CC(=O)c1ccccc1	AC0	1-phenylethanone
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO	AC1	4,6-dideoxy-4-{[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-glucopyranose
+c1nc2c(n1COCCO)N=C(NC2=O)N	AC2	9-hyroxyethoxymethylguanine
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N	AC4	aminoimidazole 4-carboxamide ribonucleotide
+C1CCC(C1)(C(=O)O)N	AC5	1-aminocyclopentanecarboxylic acid
+CC(=O)c1ccc(cc1)O	AC6	p-hydroxyacetophenone
+COc1c(cc(cc1C(=O)OC)C(=CCCCC(=O)OC)c2cc(c(c(c2)C(=O)OC)OC)C#N)C#N	AC7	dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate)
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	AC8	[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-bis(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate
+CC1=CC(=O[Cr]23(O1)(OC(=CC(=O2)C)C)OC(=CC(=O3)C)C)C	AC9	trisacetylacetonatochromium(iii)
+C(CCC(=O)O)CCN	ACA	6-aminohexanoic acid
+C[C@@H]([C@H](C(=O)O)N)C(=O)O	ACB	3-methyl-beta-d-aspartic acid
+CSC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)[NH3+]	ACC	n-[n-[2-amino-6-oxo-hexanoic acid-6-yl]cysteinyl]-s-methylcysteine
+CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O	ACD	arachidonic acid
+CC=O	ACE	acetyl group
+c1cc(c(cc1C(=O)O)OC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN)Cl	ACF	3-{[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-4-chlorobenzoic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C)O)O)O)CO	ACG	modified acarbose pentasaccharide
+CC(=O)OCC[N+](C)(C)C	ACH	acetylcholine
+C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO	ACI	6-amino-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol
+c1cc(c(cc1C(F)(F)F)Cl)Oc2ccc(c(c2)C(=O)O)[N+](=O)[O-]	ACJ	5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N	ACK	2',3'- cyclic amp
+C(C[C@@H](C(=O)CCl)N)CNC(=N)N	ACL	deoxy-chloromethyl-arginine
+CC(=O)N	ACM	acetamide
+CC(=O)C	ACN	acetone
+CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	ACO	acetyl coenzyme *a
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N	ACP	phosphomethylphosphonic acid adenylate ester
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N	ACQ	diphosphomethylphosphonic acid adenylate ester
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO	ACR	alpha-acarbose
+C[S@](=O)C[C@H](C(=O)O)N1[C@@H]([C@@H](C1=O)NC(=O)CCC[C@@H](C(=O)O)N)S	ACS	1-[(1s)-carboxy-2-(methylsulfinyl)ethyl]-(3r)-[(5s)-5-amino-5-carboxypentanamido]-(4r)-sulfanylazetidin-2-one
+CC(=O)[O-]	ACT	acetate ion
+CC=O	ACU	acetaldehyde
+CC(C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	ACV	l-d-(a-aminoadipoyl)-l-cysteinyl-d-valine
+CC1(CC1)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	ACW	d-(l-a-aminoadipoyl)-l-cysteinyl-b-methyl-d-cyclopropylglycine
+C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O	ACX	alpha-cyclodextrin (cyclohexa-amylose)
+CC(=O)O	ACY	acetic acid
+C1=CC(C=CC1CC[C@@H](C(=O)O)N)N	ACZ	cis-amiclenomycin
+CN1C[C@H](C2=CC(=O)C(=O)C=C21)O	AD1	(3s)-3-hydroxy-1-methyl-2,3-dihydro-1h-indole-5,6-dione
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N	AD2	2'-deoxy-adenosine-3'-5'-diphosphate
+c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	AD3	3-deaza-adenosine
+CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)([C@](C(=O)O3)(C)O)O	AD4	(3s,3ar,4s,6s,6ar,7s,8s,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl 12-[(tert-butoxycarbonyl)amino]dodecanoate
+c1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)nc[nH]3)N5CCOCC5	AD5	n~6~-cyclohexyl-n~2~-(4-morpholin-4-ylphenyl)-9h-purine-2,6-diamine
+CNC(=O)c1ccc(cc1)Nc2ncc(s2)Br	AD6	4-[(5-bromo-1,3-thiazol-2-yl)amino]-n-methylbenzamide
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)O	AD7	octyl 3-amino-3-deoxy-2-o-(2,6-dideoxy-alpha-l-lyxo-hexopyranosyl)-beta-d-galactopyranoside
+c1cn(cn1)CC(=O)C23CC4CC(C2)CC(C4)C3	AD8	1-(adamantan-1-yl)-2-(1h-imidazol-1-yl)ethanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)O)O)O)N	AD9	adp metavanadate
+[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O	ADA	alpha-d-galactopyranuronic acid
+c1cc(c(c(c1)Cl)Oc2nc(nc(n2)Nc3ccc(cc3)C#N)N)Cl	ADB	4-[4-amino-6-(2,6-dichloro-phenoxy)-[1,3,5]triazin-2-ylamino]-benzonitrile
+c1nc(c2c(n1)n(cn2)[C@@H]3C=CC([C@H]3O)O)N	ADC	(1'r,2's)-9-(2-hydroxy-3'-keto-cyclopenten-1-yl)adenine
+CC(CC[C@@H]([C@H](C)C(=O)O)N)C[C@H](C)[C@H](Cc1ccccc1)OC	ADD	2,6,8-trimethyl-3-amino-9-benzyl-9-methoxynonanoic acid
+c1[nH]c2c(n1)c(ncn2)N	ADE	adenine
+CC(C)(C)c1cc(ccc1OC[C@H]2CC[C@H](N2)C(=O)N3CCC[C@H]3CN)C(=O)O	ADF	4-{[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O	ADG	o-3-amino-3-deoxy-alpha-d-glucopyranose
+C1[C@@H]([C@H]([C@H](C=C1CO)N)O)O	ADH	1-amino-2,3-dihydroxy-5-hydroxymethyl cyclohex-5-ene
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N	ADI	2',3'-dideoxyadenosine-5'-diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(C4=CCCN(C4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O)O)O)N	ADJ	nicotinamide-adenine-dinucleotide-adenylate intermediate
+Cn1cnc(c-2ncnc12)N	ADK	3-methyl-3h-purin-6-ylamine
+c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2	ADL	(1,8-dihydroxy-9-oxo-9,10-dihydro-anthracen-2-yl)-acetic acid
+C1C2CC3CC1CC(C2)C3	ADM	adamantane
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	ADN	adenosine
+C1C2CC3CC1CC(C2)C3=O	ADO	adamantanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N	ADP	adenosine-5'-diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N	ADQ	adenosine-5'-diphosphate-glucose
+C1[C@H](CO[C@@H]([C@H]1O)CN)N	ADR	2,6-diamino-2,3,6-trideoxy-alpha-d-ribo-hexopyranosyl
+c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COP(=O)(S)S)O)O)N	ADS	adenosine-5'-(dithio)phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)C	ADT	3'-deoxy-3'-acetamido-thymidine
+CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)CO	ADU	3'-deoxy-3'-acetamido-uridine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)O)N	ADV	alpha-beta methylene adp-ribose
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[W@@](=O)(O)O[W](=O)(O)O)O)O)N	ADW	adenosine-5'-ditungstate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N	ADX	adenosine-5'-phosphosulfate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)[C@H](O3)CO)O)N	ADY	3'-oxo-adenosine
+Cn1cnc2c1ncnc2N	ADZ	9-methyl-9h-purin-6-amine
+CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)CC(=O)OCC)C(C)C	AE0	ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate
+CC(C)C[C@H](C[P@@](=O)([C@H](CC(=O)O)N)O)C(=O)O	AE1	2-{[[(1s)-1-amino-2-carboxyethyl](dihydroxy)phosphoranyl]methyl}-4-methylpentanoic acid
+C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O	AE2	aetiocholanolone
+CCOCCOCCO	AE3	2-(2-ethoxyethoxy)ethanol
+CCOCCOCCOCCOCCOCCO	AE4	3,6,9,12,15-pentaoxaheptadecan-1-ol
+C(CC(=O)O)[C@@H](C(=O)O)NC[C@@H](C(=O)O)N	AE5	n-[(2s)-2-amino-2-carboxyethyl]-l-glutamic acid
+Cc1c2ccccc2oc1C3CN(C3)C(=O)/C=C/c4cc5c(nc4)NC(=O)C=C5	AE6	6-{(1e)-3-[3-(3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-en-1-yl}-1,8-naphthyridin-2(1h)-one
+Cc1c(c(n(n1)C2=Sc3ccccc3N2)O)[C@H]4c5ccccc5C(=O)O4	AE7	(3r)-3-[1-(3h-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1h-pyrazol-4-yl]-2-benzofuran-1(3h)-one
+c1c(ncc2c1OCCO2)CNC3CCN(CC3)C[C@@]4(CN5c6c4c(cnc6C=CC5=O)F)O	AE8	(s)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4h-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5h)-one
+C(CO)N=[N+]=[N-]	AE9	2-azidoethanol
+C([C@H](C(=O)N)N)SCC(=O)O	AEA	(2-amino-2-carbamoyl-ethylsulfanyl)-acetic acid
+c1cc(c(cc1CCN)C2CCCCC2)O	AED	4-(2-aminoethyl)-2-cyclohexylphenol
+CCN1CCN(CC1)Cc2ccc(cc2)c3cc4c([nH]3)ncnc4N[C@H](C)c5ccccc5	AEE	6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-n-[(1r)-1-phenylethyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1cc(ccc1CCN)O	AEF	4-(2-aminoethyl)phenol
+C[C@H](Cc1ccc(cc1)O)N	AEG	4-[(2r)-2-aminopropyl]phenol
+CCc1cc(ccc1O)CCN	AEH	4-(2-aminoethyl)-2-ethylphenol
+C[C@H]([C@@H](C(=O)O)N)OC(=O)C[C@@H](C(=O)O)N	AEI	threonine-aspartic ester
+c1ccc(cc1)[N@@]2CCc3cc(ccc3[C@H]2c4ccc(cc4)[N@]5CC[N@@]6CCCC[C@H]6C5)O	AEJ	(1s)-1-{4-[(9ar)-octahydro-2h-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
+CNc1[nH]c2c(n1)cc3c(c2CCNCC4CCCC4)N=CNC3=O	AEK	4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+Cc1ccc2c(c1)nc(n2c3ccncc3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O	AEL	2-{2-[5-methyl-1-(pyridin-4-yl)-1h-benzimidazol-2-yl]ethyl}-1h-benzo[de]isoquinoline-1,3(2h)-dione
+[H]/N=C/CN	AEM	2-aminoethanimidic acid
+CC(=O)NCCNc1cccc2c1cccc2S(=O)(=O)O	AEN	5-(1-sulfonaphthyl)-acetylamino-ethylamine
+c1ccc(cc1)N2C(=NNC2=S)CCN3C(=O)c4cccc5c4c(ccc5)C3=O	AEO	2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1h-1,2,4-triazol-3-yl)ethyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione
+C[C@H](C[P@](=O)([C@H](CC(=O)O)N)O)C(=O)O	AEP	3-[(1-amino-2-carboxy-ethyl)-hydroxy-phosphinoyl]-2-methyl-propionic acid
+CCC(=O)N1CCCc2c1ccc(c2)C(=O)OC	AEQ	methyl 1-propanoyl-3,4-dihydro-2~{h}-quinoline-6-carboxylate
+C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O	AER	abiraterone
+c1cc(ccc1CCN)S(=O)(=O)F	AES	4-(2-aminoethyl)benzenesulfonyl fluoride
+C[C@H]([C@@H](C(=O)O)NC(=O)N(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O	AET	n-[n-(9-b-d-ribofuranosylpurin-6-yl)methylcarbamoyl]threonine-5'-monophosphate
+c1ccc(cc1)Oc2cccc(c2)CNc3cc4c5ccccc5[nH]c4cn3	AEU	n-[(3-phenoxyphenyl)methyl]-9h-beta-carbolin-3-amine
+CC1=C(C(=O)N(N1)c2[nH]c3ccc(c(c3n2)Cl)Cl)[C@H]4c5ccccc5C(=O)O4	AEV	2-(4,5-dichloro-1h-benzimidazol-2-yl)-5-methyl-4-[(1r)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3h-pyrazol-3-one
+CCCCCCC1=CC(=O)N(C=C1)Cc2cccc(c2C)N	AEW	1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1h)-one
+CCCCNc1cc2c3ccccc3[nH]c2cn1	AEX	n-butyl-9h-beta-carbolin-3-amine
+c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3	AEY	7-(benzyloxy)-1h-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
+c1[nH]c2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	AEZ	(4~{s},5~{s},6~{r},7~{r})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{h}-benzimidazole-4,5,6-triol
+c1ccc-2c(c1)Cc3c2ccc(c3)N	AF	2-aminofluorene
+CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3c(c(c(c(c3F)F)C)F)F	AF0	n-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide
+CC1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N[C@H]2C=C(C([C@@H]([C@H]2O)O)O)CO	AF1	4,6-dideoxy-4-{[(1s,4s,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-d-glucopyranose
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N	AF2	2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)
+F[Al](F)F	AF3	aluminum fluoride
+CC(C)NC(c1ccc(cc1)c2cc(oc2)c3ccc(cc3)C(N)NC(C)C)N	AF4	2,4-bis{[4-(n-isoporpyl)diaminomethyl]phenyl}furan
+c1c2c(c3c(c1F)N4CC[C@H]([C@H]4CC=C3)N)N(C=C(C2=O)C(=O)O)C5CC5	AF5	(7ar,8r)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1h-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid
+c1ccc(cc1)CNc2cc3c4ccccc4[nH]c3cn2	AF6	n-benzyl-9h-beta-carbolin-3-amine
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C	AF7	(3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4	AF8	3-hydroxy-n-{(2s,3r)-3-hydroxy-4-[(2-methylpropyl){[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino]-1-phenylbutan-2-yl}benzamide
+CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)S(=O)(=O)N)OC	AF9	5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide
+CC(C)C\C=C\C=C/C(=O)N[C@@H](CC(=O)N)C(=O)O	AFA	n-[7-methyl-oct-2,4-dienoyl]asparagine
+C[C@H]1CCC\C=C\[C@@H]2C[C@@H](C[C@H]2[C@@H](\C=C\C(=O)O1)O)O	AFB	1,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-4h-cyclopent[f]oxacyclotridecin-4-one
+CC[C@@H](C)CCCCCCCC[C@H](CC(=O)O)N	AFC	(3r,12r)-3-amino-12-methyltetradecanoic acid
+C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O	AFD	alpha-d-allopyranose
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)O)O	AFE	5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside
+CC(=O)Nc1ccc-2c(c1)Cc3c2cccc3	AFF	2-acetylaminofluorene-3-yl
+c1ccc-2c(c1)Cc3c2ccc(c3)Nc4nc5c(n4C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N	AFG	n-(5'-phospho-2'-deoxyguanosin-8-yl)-2-aminofluorene
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)F)O)O)N	AFH	adenosine-5'-diphosphate-2-deoxy-2-fluoro heptose
+c1ccc2c(c1)C(=C(C(=C3CCC(CC3)c4ccc(cc4)Cl)C2=O)O)O	AFI	2-[4-(4-chlorophenyl)cyclohexylidene]-3,4-dihydroxy-1(2h)-naphthalenone
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C)O	AFJ	(2r,4s,5s)-n-butyl-4-hydroxy-2,7-dimethyl-5-{[n-(4-methylpentanoyl)-l-methionyl]amino}octanamide
+Cc1ccc(c(c1)c2ccc(cc2Cl)CN)OC	AFK	[3-chloranyl-4-(2-methoxy-5-methyl-phenyl)phenyl]methanamine
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O	AFL	alpha-l-fucose
+c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)cn[nH]4)C(=O)NCc5cc[nH]n5)F	AFM	2-fluoro-5-[(3s,4r)-3-{[(1h-indazol-5-yl)oxy]methyl}piperidin-4-yl]-n-[(1h-pyrazol-3-yl)methyl]benzamide
+COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H](CO[C@@H]5O2)O	AFN	8,9-dihydro-9-hydroxy-aflatoxin b1
+CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O	AFO	octyl alpha-d-arabinofuranoside
+C([C@@H]1[C@H]([C@@H]([C@@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O	AFP	1,6-di-o-phosphono-alpha-d-fructofuranose
+CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCC4)N=C(NC3=O)N	AFQ	6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C1C(=O)[C@H]([C@@H]([C@](O1)(CO)F)O)O	AFR	alpha-d-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride
+C[C@@H](C(=O)N[C@@H](C)P(=O)(O)O)N	AFS	n-[(1r)-1-phosphonoethyl]-l-alaninamide
+COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5C=CO[C@@H]5O2	AFT	aflatoxin b1
+c1cc(cc(c1)N2CCNCC2)c3cc(c(nc3)N)C(=O)Nc4ccncc4	AFU	2-amino-5-[3-(piperazin-1-yl)phenyl]-n-(pyridin-4-yl)pyridine-3-carboxamide
+c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)cn[nH]5	AFV	2-fluoro-5-[(3s,4r)-3-{[(1h-indazol-5-yl)oxy]methyl}piperidin-4-yl]-n-[(pyridin-2-yl)methyl]benzamide
+COc1ccc(cc1c2ccc(cc2Cl)CN)C(F)(F)F	AFW	[3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)C(=C3F)CO)O)N	AFX	(4s,5s)-4-(6-amino-9h-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC1(COC1)CC(=O)O)O	AFY	(3-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid
+[H]/N=C(\c1ccc(cc1)c2cc(oc2)c3ccc(cc3)/C(=N\[H])/N)/N	AFZ	2,4-bis(4-amidinophenyl)furan
+[Ag+]	AG	silver ion
+CCc1cc(cc(n1)CC)CC[C@@]2(CC(=C(C(=O)O2)Cc3nc4nc(cc(n4n3)C)C)O)C5CCCC5	AG0	(6r)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2h-pyran-2-one
+C[C@@H](C(=O)O)NC(=O)C1(C=CC=C1)[Ru@@]2(n3c4ccc(cc4c5c3c6[n+]2cc(cc6c7c5C(=O)NC7=O)F)O)C#[O+]	AG1	ruthenium pyridocarbazole
+C(CCNC(=N)N)CN	AG2	agmatine
+[H]/N=C(/N)\NCCCCNCCCN	AG3	1-{4-[(3-aminopropyl)amino]butyl}guanidine
+COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N	AG4	n-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
+c1ccc(cc1)CCNC(=O)c2cc(cnc2Sc3ccccc3)S(=O)(=O)N	AG5	n-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
+CCC[C@@H](C=CC(=O)c1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)OCc3ccccc3	AG6	n-[(benzyloxy)carbonyl]-l-alpha-glutamyl-n-[(1s)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-l-phenylalaninamide
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C	AG7	4-{2-(4-fluoro-benzyl)-6-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-(2-oxo-pyrrolidin-3-yl)-pentanoic acid ethyl ester
+C/C(=C\CC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)/CCCN(C)C	AG8	s-[(2e,6e,10e)-14-(dimethylamino)-3,7,11-trimethyltetradeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate
+C1=CN(C(=NC1N)NCCCCNC(N)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	AG9	agmatidine
+CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[C@H](CO)O	AGA	(1s)-2-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(pentanoyloxy)methyl]ethyl octanoate
+[H]/N=C(/N)\Nc1ccc(cc1)CNC(=O)NC23CC4CC(C2)CC(C4)C3	AGB	n-(1-adamantyl)-n'-(4-guanidinobenzyl)urea
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	AGC	alpha-d-glucose
+c1nc2c(n1C[C@H](C(=O)O)N)N=C(NC2=O)N	AGD	3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-d-alanine
+Cn1cc(cc1\C=C\C(=O)NO)C(=O)Cc2ccccc2	AGE	(2e)-n-hydroxy-3-[1-methyl-4-(phenylacetyl)-1h-pyrrol-2-yl]prop-2-enamide
+C[C@@H](C(=O)NC[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2	AGF	o-(((1r)-((n-(phenyl-methoxy-carbonyl)-alanyl)-amino)methyl)hydroxyphosphinyl)3-l-phenyllactate
+CCCCS(=O)(=O)N[C@@H](Cc1ccc(cc1)OCCCCC2CCNCC2)C(=O)O	AGG	tirofiban
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	AGH	n-{(1s,2r,3s)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}hexacosanamide
+c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O	AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one
+c1ccc(cc1)CC(=O)N(CCO)Cc2ccc(cc2)C(=O)NO	AGJ	n-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide
+C1[C@H]([C@H]([C@H](NN1)CO)O)O	AGK	(3r,4s,5r)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N	AGL	4-amino-4,6-dideoxy-alpha-d-glucopyranose
+C[C@@H](CC[C@@H](C(=O)O)N)NC(=[NH2+])N	AGM	5-methyl-arginine
+CNc1ccccc1C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)n3cnc4c3N=C(NC4=O)N	AGN	phosphoaminophosphonic acid 3'-o-(n-methylanthraniloyl-2'-deoxyguanylate ester
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H](C2=O)n3cnc4c3N=C(NC4=O)N)CO[P@@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O	AGO	2-amino-9-(5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-o-{[2-(methylamino)phenyl]carbonyl}-beta-d-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6h-purin-6-one
+C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O	AGP	2-deoxy-2-amino glucitol-6-phosphate
+[H]/N=C(\N)/N/N=C/1\C=C(C(=O)C=C1O)C[C@@H](C(=O)O)N	AGQ	3-[(3e)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine
+C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)CO)O)O	AGR	[(2r,3s,4s,5s)-2,5-bis(hydroxymethyl)-5-[(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidany  l-oxolan-3-yl] [(2r,3r,4s,5s)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N	AGS	phosphothiophosphoric acid-adenylate ester
+C(CCN[C@H](N)SC[C@@H](C(=O)O)N)CN	AGT	s-{(s)-amino[(4-aminobutyl)amino]methyl}-l-cysteine
+C(=N)(N)NN	AGU	aminoguanidine
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@@H]([C@H]3CO)O)O	AGV	(2r,3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
+c1ccc(cc1)C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)CO)OP(=O)(O)O[C@@H]4[C@H]([C@H](CO[C@H]4O)O)O	AGW	[(2s,3s,4r,5r)-2,5-bis(hydroxymethyl)-2-[(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[oxidanyl-[(2r,3r,4s,5s)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-phosphoryl]oxy-oxolan-3-yl] benzoate
+C[C@@H](c1[nH]c2ccccc2n1)OC(=O)Nc3ccc(c(c3)Cl)Cl	AGX	(1s)-1-(1h-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate
+CC(C)(C)c1ccc(cc1[N+](=O)[O-])C(=O)NNC(=O)Nc2cccc3c2cccc3	AGY	2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-n-naphthalen-1-ylhydrazinecarboxamide
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C	AH0	2-(2-acetylamino-4-hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yloxy)-propionic acid
+c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5	AH1	aha001
+C1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	AH2	1-deoxy-alpha-d-mannopyranose
+CCOc1cc2c(cc1OC)CCN(C2)C=O	AH3	7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+c1ccc(cc1)N(c2ccccc2)c3ncc(cn3)C(=O)NCCCCCCC(=O)NO	AH4	2-(diphenylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
+CCOc1cc2c(cc1OC)CN(CC2)C=O	AH6	6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+c1ccc(cc1)C2(CCC(CC2)(F)F)Nc3ncc(cn3)C(=O)NO	AH7	2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-n-hydroxypyrimidine-5-carboxamide
+C([C@H]1[C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])O)O)O	AH8	(2r,3r,4r,5s)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol
+COc1cc2c(cc1OC)CN(CC2)C=O	AH9	6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+C(CCC(=O)O)CCN	AHA	6-amino hexanoic acid
+[C@H]([C@@H](C(=O)N)O)(C(=O)O)N	AHB	beta-hydroxyasparagine
+c1cc(ccc1CCC(=O)O)N	AHC	4-aminohydrocinnamic acid
+C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN	AHD	4-amino-1-hydroxybutane-1,1-diyldiphosphonate
+C(CC(=O)N[C@@H](CSCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	AHE	2-amino-4-[1-carboxymethyl-carbamoyl)-2-hydroxymethylsulfanyl-ethylcarbamoyl]-butyric acid
+COC(c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccc(cc3)CO)COc4ccccc4)O)O)COc5ccccc5)O	AHF	2-[4-(hydroxy-methoxy-methyl)-benzyl]-7-(4-hydroxymethyl-benzyl)-1,1-dioxo-3,6-bis-phenoxymethyl-1lambda6-[1,2,7]thiadiazepane-4,5-diol
+C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O	AHG	2,5-anhydro-1,6-di-o-phosphono-d-glucitol
+CCCC[C@H]([C@@H](C(=O)O)O)N	AHH	amino-hydroxyheptanoic acid
+C(C[NH3+])CN/C(=N/O)/N	AHI	3-{[(e)-amino(hydroxyimino)methyl]amino}propan-1-aminium
+CCc1ccccc1c2ccc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3	AHK	2-(1~{h}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium
+[H]/N=C(\N)/NCCC[C@@H](C(=O)NO)N	AHL	n-hydroxy-l-argininamide
+C([C@@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O	AHM	2,5-anhydro-1,6-di-o-phosphono-d-mannitol
+CC(=O)NCCc1c[nH]cn1	AHN	n-[2-(1h-imidazol-4-yl)ethyl]acetamide
+CC(=O)N(CCC[C@@H](C(=O)O)N)O	AHO	n-acetyl-n-hydroxy-l-ornithine
+CCCCC[C@@H](C(=O)O)N	AHP	2-amino-heptanoic acid
+C1c2c(c3c(c(c2O)O)N[C@H](C[C@H]3C(=O)O)C(=O)O)N[C@@H]1C(=O)O	AHQ	(2s,7r,9r)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1h-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
+C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O	AHR	alpha-l-arabinofuranose
+CC(C)CN(C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O	AHS	(3-amino-4-cyclohexyl-2-hydroxy-butyl)-isobutyl-carbamic acid
+c1cc(ccc1C[C@@H](CCC(N)O)N)O	AHT	4-(2,5-diamino-5-hydroxy-pentyl)-phenol
+C1[C@@H](CO[C@@H]([C@H]1O)CO)N2C=C(C(=O)NC2=O)I	AHU	1',5'-anhydro-2',3'-dideoxy-2'-(5-iodouracil-1-yl)-d-ababino-hexitol
+CCc1ccc2ccc(cc2c1)OC	AHW	2-ethyl-7-methoxy-naphthalene
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)ONC(=O)[C@H](CO)N)O)O)N	AHX	seryl-hydroxamate-adenosine monophosphate
+CCCCCCC[C@H]([C@@H](C(=O)O)O)N	AHY	(2s,3r)-3-amino-2-hydroxydecanoic acid
+Cc1c(sc(n1)C(=O)[O-])CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	AHZ	adenosine diphosphate 5-(beta-ethyl)-4-methyl-thiazole-2-carboxylic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4	AI	(2s,2's)-n,n'-[(2s,3s,4s,5s)-1-cyclohexyl-3,4-dihydroxy-6-phenylhexane-2,5-diyl]bis[3-methyl-2-({[methyl(pyridin-2-ylmethyl)amino]carbonyl}amino)butanamide]
+c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	AI1	n-benzyl-3-(alpha-d-galactos-1-yl)-benzamide
+[B-]1(O[C@@]2([C@](O1)([C@H](CO2)O)O)C)(O)O	AI2	3a-methyl-5,6-dihydro-furo[2,3-d][1,3,2]dioxaborole-2,2,6,6a-tetraol
+COc1cc2c[nH+]c-3c(c2cc1OC)Cc4c3cc5c(c4)OCO5	AI3	2,3-dimethoxy-12h-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCN(CC[C@@H](C(=O)O)N)CCO[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=NC5=O)N)COP(O)O)O)O)O)N	AI5	(2~{s})-4-[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[2-[(2~{r},3~{r},4~{r},5~{r})-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-[bis(oxidanyl)phosphanyloxymethyl]-4-oxidanyl-oxolan-3-yl]oxyethyl]amino]-2-azanyl-butanoic acid
+CCCCCCCOc1cccc(c1)C(=O)O	AI7	3-(heptyloxy)benzoic acid
+CCON=C(c1nc(sn1)N)C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)Sc3nc(cs3)c4cc[n+](cc4)C)C(=O)O	AI8	ceftaroline, bound form
+C([C@H]([C@H]([C@H](/C=N/C1=C(C(=O)NC(=O)N1)N)O)O)O)OP(=O)(O)O	AI9	[(2r,3s,4s,5e)-5-[[5-azanyl-2,4-bis(oxidanylidene)-1h-pyrimidin-6-yl]imino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+C#C[C@H]1CC[C@H](N1C(=O)[C@H](C2CCCC2)N)CN	AIA	(1s)-2-[(2s,5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
+CC(C)(C(=O)O)N	AIB	alpha-aminoisobutyric acid
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C	AIC	(2s,5r,6r)-6-{[(2r)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+C([C@H]([C@H]([C@@H](\C=N\C1=C(C(=O)NC(=O)N1)N)O)O)O)OP(=O)(O)O	AIF	[(2r,3s,4r,5e)-5-[(5-amino-2,6-dioxo-3h-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
+CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O	AIG	hexyl 3-amino-3-deoxy-beta-d-galactopyranoside
+C[C@H]1CN(C[C@@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O	AIH	(2s,3r)-2-(4-{2-[(3r,4r)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6- ol
+C[C@@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5	AIJ	(2s,3r)-3-(4-hydroxyphenyl)-2-(4-{[(2s)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
+CC(C)c1c(nc(s1)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC=O)C(=O)NCCCN(C)C	AIK	n-[3-(dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-5-isopropyl-1,3-thiazole-4-carboxamide
+c1c(ncs1)C(=O)NC[C@H]2C[C@H](NC2)C(=O)N3CCSC3	AIL	n-{[(3s,5s)-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]methyl}-1,3-thiazole-4-carboxamide
+C1CC(=C2C=NC(=N2)N)CCC1N	AIM	4-(4-amino-cyclohexylidene)-4h-imidazol-2-ylamine
+CC(=O)Oc1ccccc1C(=O)O	AIN	2-(acetyloxy)benzoic acid
+B([C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)N)(O)O	AIO	[(2r)-1-(l-alanyl-l-isoleucyl)pyrrolidin-2-yl]boronic acid
+c1cnc([nH]1)SCc2cc(cc3c2N=C(NC3=O)N)N	AIQ	2,6-diamino-8-(1h-imidazol-2-ylsulfanylmethyl)-3h-quinazoline-4-one
+c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	AIR	5-aminoimidazole ribonucleotide
+c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N	AIS	5-aminoimidazole ribonucleoside
+C[C@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5	AIT	(2s,3r)-3-(4-hydroxyphenyl)-2-(4-{[(2r)-2-pyrrolidin-1-ylpropyl]oxy}phenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
+C[C@@H]1CN(C[C@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O	AIU	(2s,3r)-2-(4-{2-[(3s,4s)-3,4-dimethylpyrrolidin-1-yl]ethoxy}phenyl)-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
+c1cc[n+]2c(c1)C(=O)O[V+3]23(=O)([n+]4ccccc4C(=O)O3)O	AIV	hydroxy(oxo)bis(pyridine-2-carboxylato-kappa~2~n,o)vanadium(3+)
+c1ccc(cc1)C[SeH]	AIW	phenylmethaneselenol
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C	AIX	(2r,4s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CN(C)CCCC(=O)Nc1cc(cc(c1)C(=O)O)c2c3ccc(cc3[nH]n2)Nc4ccccc4Cl	AIZ	3-{6-[(2-chlorophenyl)amino]-1h-indazol-3-yl}-5-{[4-(dimethylamino)butanoyl]amino}benzoic acid
+CC(=O)Nc1ccc2c(c1)sc(n2)NC	AJ1	n-(2-methylamino)-1,3-benzothiazol-6-yl)acetamide
+Cc1cc(nc2c1cccc2)O	AJ2	4-methylquinolin-2-ol
+C=CC[S@@](=O)C/C=C/S	AJ3	3-(prop-2-ene-1-sulfinyl)-propene-1-thiol
+CC1=CC(=O)Nc2c1ccc(c2)c3ccccc3F	AJ4	7-(2-fluorophenyl)-4-methylquinolin-2(1h)-one
+CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCOC	AJ5	3-chloro-n-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
+CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)N	AJ6	7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1h)-one
+CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4	AJ7	3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-n-[2-(morpholin-4-yl)ethyl]benzamide
+CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)O	AJ8	3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid
+CC1=C(C(=O)Oc2c1ccc(c2)OCC3CCN(CC3)Cc4ccccc4)C	AJ9	3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one
+CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)C(=O)O)(C)C)O	AJA	(6ar,10ar)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydro-6h-benzo[c]chromene-9-carboxylic acid
+Cc1csc(n1)NC(=O)c2cc(ccc2N)Sc3nncn3C	AJB	2-amino-n-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]benzamide
+c1cc(c(cc1Br)C(=O)O)N[C@@H]2CCCNC2	AJD	5-bromo-2-[(3r)-piperidin-3-ylamino]benzoic acid
+C1[C@@H]([C@H](CN1C(=O)CCC(=O)O)N)C(=O)O	AJE	(3s,4r)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid
+CC(=O)N=C1Nc2ccc(cc2S1)C#N	AJG	n-(6-cyano-3h-1,3-benzothiazol-2-ylidene)ethanamide
+c1cc(ccc1C(=O)N2CCCN(CC2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(=O)O	AJH	4-({4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid
+Cc1csc(n1)NC(=O)c2c(ccc(n2)Sc3nncn3C)Sc4ccc(cc4)F	AJI	3-[(4-fluorophenyl)sulfanyl]-n-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
+CN1CCC(CC1)c2nc(on2)c3ccc(cc3)O	AJJ	4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
+c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3ccc[nH]3	AJK	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{h}-pyrrol-2-yl)ethyl]azanium
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4	AJL	(1s)-1-[(1h-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+C[N@]1c2ccccc2[C@@]34[C@@H]1[C@@H]5C[C@H]6C[C@@H]([N@@]5[C@@H](C3)[C@H]6[C@H]4O)O	AJM	ajmaline
+C[C@H]1[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)OC	AJN	ajmalicine
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1	AJP	digitonin
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O[P@@](=O)(OP(=O)(O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)S)O)O	AJQ	[(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid
+CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO	AJR	2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9h-purin-2-yl]azanediyl}di(ethan-1-ol)
+c1cc2c(cc1C(=O)O)OCCOCCOCCOCCOCCO2	AJU	2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid
+C1=CC2=C(C(=O)N=C2C(=C1)F)NO	AJV	7-fluoro-3-(hydroxyamino)-2h-indol-2-one
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCCc3c[nH]c4c3cccc4	AJX	(1s)-1-[3-(1h-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+Cc1cc\2c(cc1Br)NC(=O)/C2=N\O	AJY	(3z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2h-indol-2-one
+c1cc(cc(c1)O)c2nc3ccsc3c(n2)N4CCOCC4	AJZ	3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3ccc(c4)F	AK0	(1s)-1-[2-(6-fluoro-1h-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3)C(F)(F)F	AK1	1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
+c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3	AK2	1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea
+Cn1c2c(cn1)ncnc2NCCc3cnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F	AK3	1-(5-{2-[(1-methyl-1h-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
+c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(cnn4CC(=O)O)ncn3	AK4	(7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1h-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid
+COc1ccc(cc1NC(=O)CCSc2c(c(ncn2)N)Br)C(=O)Nc3ccccc3	AK5	3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-n-phenylbenzamide
+COc1ccc(cc1NC(=O)CCSCc2cc3cc[nH]c3nc2)C(=O)Nc4ccccc4	AK6	4-methoxy-n-phenyl-3-({3-[(1h-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide
+c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c(c(ncn3)N)Br)C(F)(F)F	AK7	1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
+Cc1cc(ccc1Oc2c(cccn2)c3ccnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F	AK8	1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
+CC[C@@]1(Cc2cc3c(c(c2[C@H](C1)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)OC5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6CCC(=O)[C@H](O6)C)O)N(C)C)O)C(=O)c7c(cccc7O)C3=O)O	AKA	10-decarboxymethylaclacinomycin a (dcmaa)
+CC(=O)[C@@H](C(=O)O)N	AKB	2-amino-3-ketobutyric acid
+CCOCCOC(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@]2(C(=O)C(=CN2)[C@H]3c4ccccc4[C@@H]5[C@H]3OC(=O)N5)Cc6ccccc6)O	AKC	2-ethoxyethyl (1s,2s)-3-{(2s)-4-[(3as,8s,8ar)-2-oxo-3,3a,8,8a-tetrahydro-2h-indeno[1,2-d][1,3]oxazol-8-yl]-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl}-1-benzyl-2-hydroxypropylcarbamate
+c1cc(c(cc1Br)C(=O)[O-])N[C@H]2CCCNC2	AKD	5-bromo-2-[(3s)-piperidin-3-ylamino]benzoate
+c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)NCCNCCO)NCCNCCO	AKE	1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione
+C(CC(=O)O)C(=O)C(=O)O	AKG	2-oxoglutaric acid
+c1cc2ccoc2c(c1)C(=O)O	AKH	1-benzofuran-7-carboxylic acid
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCc5ccc(cc5)NC(=O)Nc6ccccc6	AKI	1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea
+CC(C)CC(=O)c1ccc(c(c1)O[C@H]2CCOC2)OC(F)F	AKJ	1-[4-(difluoromethoxy)-3-{[(3s)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one
+C/C=C\N	AKK	(1z)-prop-1-en-1-amine
+C([C@@H](C(=O)CCl)N)C(=O)O	AKL	3-amino-5-chloro-4-oxopentanoic acid
+C[C@@H]1C([C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N)(O)O	AKM	[(2r,4s,6r)-4-azanyl-4,6-dimethyl-5,5-bis(oxidanyl)oxan-2-yl] [[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N	AKN	(2s)-n-[(1r,2s,3s,4r,5s)-4-[(2r,3r,4s,5s,6r)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2s,3r,4s,5s ,6r)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide
+Cc1ccc2c(c1)[nH]cc2CC[C@H]3c4cc(c(cc4CCN3C=O)OC)OC	AKO	(1s)-6,7-dimethoxy-1-[2-(6-methyl-1h-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC=C)C(C(=O)N[C@@H](Cc2ccc(cc2)OP(=O)(O)O)C(=O)O)(O)O)NC(=O)[C@H](CC(C)C)NC(=O)c3cnccn3	AKP	n-(pyrazin-2-ylcarbonyl)leucylisoleucyl-n~1~-{1-[2-({1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-enyl}-3-cyclohexylalaninamide
+C=CC(=O)O	AKR	acrylic acid
+CCCCCC(=O)NCCCCC#C	AKS	n-(hex-5-yn-1-yl)hexanamide
+CC[C@@]1(Cc2cc3c(c(c2[C@H](C1)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)N(C)C)O)C(=O)c5c(cccc5O)C3=O)O	AKT	10-decarboxymethylaclacinomycin t (dcmat)
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3cccc4	AKU	(1s)-1-[2-(1h-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-carbaldehyde
+CCC(C[C@H](c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)CC(=O)OC)O)O	AKV	{3-[(1r,3s)-1,3-dihydroxypentyl]-4,5,9,10-tetrahydroxy-2-anthryl}acetate
+C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)OP(=O)(O)OP(=O)(O)SCC4[C@@H]([C@@H](C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O	AKW	[(2~{s},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{h}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(3~{r},4~{s})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid
+C[C@H](CCCC(Cc1ccccc1)(Cc2ccccc2)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C5C[C@H](C(=C)[C@@H](C5)O)O)C	AKX	(1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@H](O5)C)O[C@@H]6C[C@H]([C@H]([C@H](O6)C)O[C@@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O	AKY	methyl (2s,4r)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-o-{2,6-dideoxy-4-o-[(2s,6s)-6-methyl-5-oxotetrahydro-2h -pyran-2-yl]-alpha-d-lyxo-hexopyranosyl}-3-(dimethylamino)-d-ribo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-c arboxylate
+C([C@@H](C(O)O)N)C(=O)O	AKZ	(3s)-3-amino-4,4-dihydroxybutanoic acid
+[Al+3]	AL	aluminum ion
+C([C@@H](C(=O)O)N)N(N=O)O	AL0	3-[hydroxy(nitroso)amino]-l-alanine
+COc1cccc(c1)N2CCc3cc(sc3S2(=O)=O)S(=O)(=O)N	AL1	3,,4-dihydro-2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+COc1ccc(cc1)[N@@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O	AL2	3,4-dihydro-4-hydroxy-2-(4-methoxyphenyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+c1cc(sc1)C[N@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O	AL3	3,4-dihydro-4-hydroxy-2-(2-thienymethyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOC	AL4	(r)-4-ethylamino-3,4-dihydro-2-(2-methoylethyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+Cc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N	AL5	thiophene-2,5-disulfonic acid 2-amide-5-(4-methyl-benzylamide)
+COc1cccc(c1)N2C=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N	AL6	2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazine-6-sulfinamide-1,1-dioxide
+CN[C@@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC	AL7	(s)-3,4-dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+CN[C@H]1C[N@@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC	AL8	(r)-3,4-dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N	AL9	n-[(4-methoxyphenyl)methyl]2,5-thiophenedesulfonamide
+C[C@@H](C(=O)O)N	ALA	alanine
+C[C@@H](C(=O)[O-])[NH-]	ALA_LEO2	l-alaline c-terminal deprotonated fragment
+C[C@@H](C(=O)O)[NH-]	ALA_LEO2H	l-alaline c-terminal protonated fragment
+C[C@@H](C(=O)O)N	ALA_LFOH	l-alaline free neutral
+C[C@@H](C(=O)[O-])[NH3+]	ALA_LFZW	l-alaline free zwitterion
+C[C@@H]([C-]=O)[NH-]	ALA_LL	l-alaline - linking embedded fragment
+C[C@@H]([C-]=O)[NH3+]	ALA_LSN3	l-alaline n-terminal protonated fragment
+CC1=O[Fe]2345O=C(N(O2)CCC[C@H](C(=O)N[C@@H](CCCN(O3)C(=O4)C)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H]([C@@H]6[C@H]([C@@H]([C@@H](S6)N7C=CC(=NC(=O)N)N(C7=O)C)O)O)O)C(=O)O)NC(=O)C(CCCN1O5)N)C	ALB	delta-2-albomycin a1
+C1CCC(CC1)C[C@@H](C(=O)O)N	ALC	2-amino-3-cyclohexyl-propionic acid
+CC(C)C[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ALD	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s)-1-hydroxy-4-methylpentan-2-yl]-l-leucinamide
+CNC[C@@H](c1ccc(c(c1)O)O)O	ALE	l-epinephrine
+F[Al-](F)(F)F	ALF	tetrafluoroaluminate ion
+[H]/N=C(\N)/NCCCC(=O)O	ALG	4-carbamimidamidobutanoic acid
+CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2	ALH	6-phenyl[5h]pyrrolo[2,3-b]pyrazine
+C=NC1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O	ALI	methyl n-acetyl allosamine
+C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CCCN=C(N)N	ALJ	cyclo-(l-arginine-l-proline) inhibitor
+C[C@H](O)P(=O)(O)OC	ALK	methoxy-[(1~{r})-1-oxidanylethyl]phosphinic acid
+C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O	ALL	beta-d-allopyranose
+C[C@@H](C(=O)C)N	ALM	1-methyl-alaninal
+c1ccc2c(c1)cccc2C[C@@H](C(=O)O)N	ALN	naphthalen-2-yl-3-alanine
+C[C@@H]([C@@H](C(=O)O)N)O	ALO	allo-threonine
+CC1([C@@H](N[C@H](S1)[C@@H](CO)C(=O)O)C(=O)O)C	ALP	2-(1-carboxy-2-hydroxy-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid
+CC(C)C(=O)O	ALQ	2-methyl-propionic acid
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC(=O)O	ALR	alrestatin
+[C@H]([C@@H](O)OS(=O)(=O)O)(C(=O)O)N	ALS	(3s)-3-(sulfooxy)-l-serine
+C[C@@H](C(=S)O)N	ALT	thioalanine
+CC(=O)[P@](=O)(O)OC	ALU	methyl hydrogen (s)-acetylphosphonate
+C[C@@H](C(O)O)N	ALV	(2s)-2-aminopropane-1,1-diol
+CCCS(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC	ALW	methyl 5-(propylsulfinyl)-1h-benzimidazol-2-ylcarbamate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O)O)O)O	ALX	2-o-phosphono-alpha-d-glucopyranose
+CC(=O)NCCCC[C@@H](C(=O)O)N	ALY	n(6)-acetyllysine
+c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)NNCCCCN	ALZ	2-[n'-(4-amino-butyl)-hydrazinocarbonyl]-pyrrolidine-1-carboxylic acid benzyl ester
+[Am+3]	AM	americium ion
+COc1cc(cc(c1OC)OC)Nc2ncnc(n2)n3c4ccccc4nc3Nc5ccccc5	AM0	n-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1h-benzimidazol-2-amine
+Cc1c(c(no1)C(=O)O)CC(C(=O)O)N	AM1	(s)-2-amino-3-(3-carboxy-5-methylisoxazol-4-yl)propionic acid
+CN[C@H]1[C@H]([C@@H]2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O	AM2	apramycin
+CCCCCCCC/N=C\1/N2[C@H](CO1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O	AM3	(3z,5s,6r,7s,8s,8ar)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
+CS(=O)(=O)c1ccc(cc1)C(=N)N	AM4	4-(methylsulfonyl)benzenecarboximidamide
+Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5cccc(c5)C(F)(F)F	AM5	4-methyl-n~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-n~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
+Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)NC(=O)c5cccc(c5C)C(F)(F)F	AM6	2-methyl-n-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide
+CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)Cc6ccccc6	AM7	2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3h)-one
+Cc1c(c([nH]c1C)CC2=C3C=C(C=CC3=NC2=O)S(=O)(=O)N(C)c4cccc(c4)Cl)C	AM8	n-(3-chlorophenyl)-n-methyl-2-oxo-3-[(3,4,5-trimethyl-1h-pyrrol-2-yl)methyl]-2h-indole-5-sulfonamide
+Cc1cccc(c1N2c3nc4ccccc4n3-c5c(cnc(n5)Nc6ccc(cc6)N7CCN(CC7)C)C2=O)C	AM9	6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6h)-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O	AMA	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-succinic acid
+CO\C=C/[C@@H](C(=O)O)N	AMB	l-2-amino-4-methoxy-cis-but-3-enoic acid
+C1CCC(CC1)C[NH3+]	AMC	aminomethylcyclohexane
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)N	AMD	aspartyl-2'-deoxy-adenosine-5'-monophosphate
+CC(=O)N[C@@H](CCSC)C(=O)O	AME	n-acetylmethionine
+CCCCCCCCN=C1N2[C@H](CS1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O	AMF	(3z,5s,6r,7s,8r,8as)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol
+CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	AMG	methyl alpha-d-galactopyranoside
+C1CC(CCC1CN)C(=O)O	AMH	trans-4-aminomethylcyclohexane-1-carboxylic acid
+CN(C)C1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)CO)O)O	AMI	allosamizoline
+CC(=O)N[C@@H](COC)C(=O)NCc1ccccc1	AMJ	n~2~-acetyl-n-benzyl-o-methyl-l-serinamide
+CCCCCN	AML	amylamine
+CC(C)C[C@H](C[Si](CN)(O)O)C=O	AMM	(2s)-2-{[(aminomethyl)(dihydroxy)silyl]methyl}-4-methylpentanal
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CN)O)O)(C(=O)O)OC)O	AMN	methyl 5-acetamido-9-amino-3,5,9-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)O)N	AMO	aspartyl-adenosine-5'-monophosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	AMP	adenosine monophosphate
+Cc1c(c(no1)O)C[C@@H](C(=O)O)N	AMQ	(s)-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid
+c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N	AMR	3,5-diamino-n-(aminoiminomethyl)-6-chloropyrazinecarboxamide
+c1cc(c(cc1S(=O)(=O)N)[Hg])N	AMS	3-mercuri-4-aminobenzenesulfonamide
+c1csc(n1)N	AMT	2-aminothiazole
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	AMU	n-acetyl-beta-muramic acid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C	AMV	methyl 2-acetamido-3-o-[(1r)-1-carboxyethyl]-2-deoxy-beta-d-glucopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[W](=O)(O)O)O)O)N	AMW	adenosine monotungstate
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)N)O	AMX	amidocarboxymethyldethia coenzyme *a
+CCCCC[C@@H]1[C@H]([C@H](OC(=O)[C@H]([C@@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C	AMY	antimycin
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N	AMZ	aminoimidazole 4-carboxamide ribonucleotide
+CCC[C@@H](C(=O)O)NC(=O)C	AN0	n-acetyl-l-norvaline
+Cc1c2ccccc2c(c3c1cccc3)CCC(=O)O	AN1	3-(10-methyl-anthracen-9-yl)-propionic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(N)O)O)O)N	AN2	amp phosphoramidate
+c1ccc2cc3ccccc3cc2c1	AN3	anthracene
+c1cc(cnc1)C2=NCCCC2	AN4	3,4,5,6-tetrahydro-2,3'-bipyridine
+c1cc(cnc1)C(=O)CCCCN	AN5	5-amino-1-pyridin-3-ylpentan-1-one
+CC[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	AN6	5'-{[(3s)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)C(=O)O)O	AN7	(3e)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid
+CCCCCCC[C@@H](C(=O)O)N	AN8	(2s)-2-aminononanoic acid
+CCN(CC)CCC(=O)Nc1cccc2c1C(=O)c3cccc(c3C2=O)NC(=O)CCN(CC)CC	AN9	1,5-bis[3-(diethylamino)propionamido]anthracene-9,10-dione
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)OC(=O)C	ANA	methyl 4-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C	ANB	androsta-1,4-diene-3,17-dione
+c1ccc2cc3c(cccc3N)cc2c1	ANC	anthracen-1-ylamine
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C	AND	3-beta-hydroxy-5-androsten-17-one
+c1[nH]c2c(n1)c(ncn2)N	ANE	adenine
+c1ccc2c(c1)cc3ccccc3c2O	ANF	anthrone
+c12c([nH]c(n1)N)N=C(NC2=O)N	ANG	8-aminoguanine
+Cc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)OC	ANH	methyl n-[(4-methylphenyl)sulfonyl]glycyl-3-[amino(imino)methyl]-d-phenylalaninate
+c1cc(ccc1C(F)(F)F)N	ANI	4-(trifluoromethyl)aniline
+CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@@H](C)CC	ANJ	(2r,3s,6s,7r,8r)-3-{[3-(formylamino)-2-hydroxybenzoyl]amino}-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl (2s)-2-methylbutanoate
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O)N	ANK	9-{5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-l-ribofuranosyl}-9h-purin-6-amine
+c1ccc(cc1)N	ANL	aniline
+CC(=O)O[C@@H]1[C@H](CN[C@@H]1Cc2ccc(cc2)OC)O	ANM	anisomycin
+COc1ccc(cc1)C(=O)O	ANN	4-methoxybenzoic acid
+C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	ANO	5-beta-androstane-3,17-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N	ANP	phosphoaminophosphonic acid-adenylate ester
+c1cc2cccc3c2c(c1)C(=O)C3=O	ANQ	acenaphthenequinone
+CC\1=CCCC(/C1=C\C=C(/C)\C=C\C=C(/C)\C=C)(C)C	ANR	anhydroretinol
+CN(C)c1cccc2c1cccc2S(=O)(=O)O	ANS	5-(dimethylamino)-1-naphthalenesulfonic acid(dansyl acid)
+Cc1ccc2c(c1O)N[C@H]([C@@H]3CC(=CN3C2=O)\C=C\C(=O)N)O	ANT	anthramycin
+C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O	ANU	2,2'-anhydro-(1-beta-d-arabinofuranosyl)uracil
+c1ccc(cc1)OCc2cn(nn2)c3ccc(cc3)S(N)(O)O	ANV	1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole
+CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O	ANW	2-amino-7-(1-methylethyl)-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxylic acid
+c1cc(c(cc1[N+](=O)[O-])O)[N+](=O)[O-]	ANX	2,5-dinitrophenol
+CCCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@H](C)CC	ANY	2-methyl-butyric acid 3-(3-formylamino-2-hydroxy-benzoylamino)-8-heptyl-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester
+[B@@-]12(c3ccc(cc3CO1)F)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	ANZ	[(6-amino-9h-purin-9-yl)-[5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole]-4'yl]methyl dihydrogen phosphate
+CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C	AO	acridine orange
+CCSCC[C@@H]([C@@H](C(=O)N[C@@H](C)c1cccc2c1cccc2)O)N	AO1	(2s,3r)-3-amino-2-hydroxy-5-(ethylsulfanyl)pentanoyl-((s)-(-)-(1-naphthyl)ethyl)amide
+Cc1ccc(cc1)NNC(=O)[C@H]([C@@H](CC2CCCCC2)N)O	AO2	n'-(2s,3r)-3-amino-4-cyclohexyl-2-hydroxy-butano-n-(4-methylphenyl)hydrazide
+CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@H]4[C@@H]([C@H]3O)N=C(O4)N(C)C)CO)CO)CO)O)O	AO3	allosamidin
+c1cnc(cc1C(=O)O)Cl	AO4	2-chloropyridine-4-carboxylic acid
+CC(C)SCC[C@H]([C@@H](C(=O)NNC(=O)c1cccc(c1)Cl)O)N	AO5	n'-((2s,3r)-3-amino-2-hydroxy-5-(isopropylsulfanyl)pentanoyl)-n-3-chlorobenzoyl hydrazide
+CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)C[C@@H](C)O	AO6	2-methyl-1-[(2r)-2-oxidanylpropyl]-9h-carbazole-3,4-dione
+c1ccc2c(c1)C(=O)C=C(O2)C(=O)O	AO7	4-oxo-4h-1-benzopyran-2-carboxylic acid
+B(c1ccccc1CNCCNS(=O)(=O)c2cccc3c2ccnc3)(O)O	AO8	[2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid
+c1csc2n1c(cn2)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O	AO9	5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine
+C(C(=O)O)ON	AOA	(aminooxy)acetic acid
+c1ccc(cc1)/C=C/c2c(c3c([nH]2)N=C(NC3=O)N)C#N	AOB	(e)-2-amino-4-oxo-6-styryl-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+C#CCOC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	AOC	5'-o-prop-2-yn-1-yladenosine
+c1cc(c(cc1Br)C(=O)O)N[C@H]2CCC[C@H](C2)C(=O)O	AOD	5-bromo-2-{[(1s,3r)-3-carboxycyclohexyl]amino}benzoic acid
+CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O)O	AOE	n-butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthren-7-yl]-n-methylundecanamide
+C([C@@H]1[C@H]([C@H]([C@@H](O1)NC2=C(C(=O)NC(=O)N2)N)O)O)OP(=O)(O)O	AOF	n-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-o-phosphono-beta-d-ribofuranosylamine
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O	AOG	octyl 3-amino-3-deoxy-beta-d-galactopyranoside
+CCC1=C(C2=[N-]3C1=Cc4c(c(c5n4[Mg]36[N-]7=C8C(=C9N6C(=C2)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)[C@H](C(=O)C8=C(C7=C5)C)C(=O)OC)[C@H](C)O)C)C	AOH	8(1)-oh-chlorophyll af
+C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O	AOI	androsterone
+c1cc2c(cc1F)c(c[nH]2)[C@H]3CC(=O)NC3=O	AOJ	(3r)-3-(5-fluoro-1h-indol-3-yl)pyrrolidine-2,5-dione
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)C	AOK	~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{h}-benzimidazol-2-yl)ethanamine
+C1([C@H]([C@H]([C@H]([C@H]1O)O)O)O)N	AOL	(1r,2r,3s,4s,5r)-5-aminocyclopentane-1,2,3,4-tetrol
+C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O	AOM	5-alpha-androstane-3-beta,17beta-diol
+C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O	AON	5-alpha-androstane-3-beta,17-alpha-diol
+CCNc1nc(nc(n1)OC)NC(C)C	AOO	n-ethyl-6-methoxy-n'-(1-methylethyl)-1,3,5-triazine-2,4-diamine
+CCCCCONCC=O	AOP	pentyloxyamino-acetaldehyde
+c1ccc2c(c1)C(=O)C(=C(C2=O)O)C3CCC(CC3)c4ccc(cc4)Cl	AOQ	2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione
+CC(=O)N[C@@H](CCCN)C(=O)O	AOR	n~2~-acetyl-l-ornithine
+C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O	AOS	d-allose
+c1ccc(cc1)NC(=O)C(=O)O	AOT	2-oxidanylidene-2-phenylazanyl-ethanoic acid
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)C(=O)c3cn(c4c3cccc4/C=C/C(=O)O)C	AOU	(2e)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1h-indol-7-yl}prop-2-enoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)(O)O)O)O)N	AOV	adp orthovanadate
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(n3)cccc4[N+](=O)O	AOW	[2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{h}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium
+C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O	AOX	(3beta,5alpha)-3-hydroxyandrostan-17-one
+c1ccc(cc1)N/C=C/2\CCCOC2=O	AOY	(3e)-3-[(phenylamino)methylidene]oxan-2-one
+CC(C(=O)O)NC(Cc1c[nH]cn1)C(=O)O	AOZ	histopine
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)N	AP	n-1-aminopyrene
+CC(C1=CN(C=CC1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O	AP0	acetyl pyridine adenine dinucleotide, reduced
+CC[C@@H](c1cc(c(c(c1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O	AP1	{3-[3-(3,4-dimethoxy-phenyl)-1-(1-{1-[2-(3,4,5-trimethoxy-phenyl)-butyryl]-piperidin-2yl}-vinyloxy)-propyl]-phenoxy}-acetic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N	AP2	phosphomethylphosphonic acid adenosyl ester
+CC1([C@@H](N[C@H](S1)[C@H](C(=O)O)C(C)(C)O)C(=O)O)C	AP3	2-(1-carboxy-2-hydroxy-2-methyl-propyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid
+C1[C@@H]2COC(=O)N2C3=C(N1)N=C(NC3=O)N	AP4	7-amino-3,3a,4,5-tetrahydro-8h-2-oxa-5,6,8,9b-tetraaza-cyclopenta[a]naphthalene-1,9-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	AP5	bis(adenosine)-5'-pentaphosphate
+c1ccc(cc1)[C@@H]2CNc3c(c(nc(n3)N)N)N2	AP6	2,4-diamino-6-phenyl-5,6,7,8,-tetrahydropteridine
+c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	AP7	n1-protonated adenosine-5'-monophosphate
+C[C@@H]1CC[C@@H](/C(=C/C[C@H](C[C@H](\C=C\C[C@H](OC(=O)\C=C\C=C\C[C@H]([C@H]([C@@H]1O)C)OC(=O)[C@H](COC)N(C)C)[C@@H](C)[C@H]([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)\C=C\N(C)C=O)OC(=O)C)OC(=O)[C@H](C)N(C)C)O)OC)C)/C)OC	AP8	(8r,9r,10r,11r,14s,18s,20s,24s)-24-{(1r,2s,3r,6r,7r,8r,9s,10e)-8-(acetyloxy)-6-[(n,n-dimethylalanyl)oxy]-11-[formyl(met hyl)amino]-2-hydroxy-1,3,7,9-tetramethylundec-10-enyl}-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxooxacyclote tracosa-3,5,15,21-tetraen-8-yl n,n,o-trimethylserinate
+CC(C)[C@@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cc(cc(c3)Cl)N	AP9	(2s)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methylbutan-1-ol
+[H]/N=C(/c1ccc(cc1)C[C@@H](C(=O)O)O)\N	APA	(2s)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid
+B(c1cccc(c1)N)(O)O	APB	m-aminophenylboronic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N	APC	diphosphomethylphosphonic acid adenosyl ester
+Cc1cccc(c1)C[C@@H](C(=O)O)N	APD	3-methylphenylalanine
+c1ccc(cc1)C[C@H](N)NC(=O)O	APE	(1-amino-2-phenyl-ethyl)-carbamic acid
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F	APF	1,1,1-trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone)
+C[C@](c1ccccc1)(C(=O)O)O	APG	atrolactic acid (2-phenyl-lactic acid)
+c1cc(ccc1C[C@H](C(=O)O)N)C(=N)N	APH	p-amidinophenyl-3-alanine
+C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N	API	2,6-diaminopimelic acid
+c1cc2c(cc1Nc3nccc(n3)Nc4cc(n[nH]4)C5CC5)nc[nH]2	APJ	n~2~-1h-benzimidazol-5-yl-n~4~-(3-cyclopropyl-1h-pyrazol-5-yl)pyrimidine-2,4-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H](C=O)N)O)O)O)N	APK	5'-o-[(s)-{[(5s)-5-amino-6-oxohexyl]amino}(hydroxy)phosphoryl]adenosine
+CC(=O)N[C@@H](Cc1ccccc1)C(C(F)(F)F)(O)O	APL	n-(1-benzyl-3,3,3-trifluoro-2,2-dihydroxy-propyl)-acetamide
+c1cc(cc(c1)C(=N)N)C[C@@H](C(=O)O)N	APM	m-amidinophenyl-3-alanine
+c1nc(c2c(n1)n(cn2)CC(=O)N(CC[NH3+])CC(=O)O)N	APN	2-aminoethylglycine-carbonylmethylene-adenine
+C([C@H](C(=O)O)N)P(=O)(O)O	APO	d-2-amino-3-phosphono-propionic acid
+CC(=O)N1CCCC[C@H]1C(=O)O	APP	1-acetyl-2-carboxypiperidine
+CCCSCc1cc(cc2c1N=C(NC2=O)N)N	APQ	2,6-diamino-8-propylsulfanylmethyl-3h-quinazoline-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N	APR	adenosine-5-diphosphoribose
+C[C@@H](Cn1cnc2c1ncnc2N)O	APS	9-hydroxypropyladenine, s-isomer
+c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc([nH+]3)N)O	APT	2-amino-6-[(4-carboxy-phenylamino)-methyl]-4-hydroxy-pteridin-1-ium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O)O)O)N	APU	adenylyl-3'-5'-phospho-uridine-3'-monophosphate
+C(C[C@@H](C(=O)O)N)CC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H]([C@H](S2)CO)C(=O)O	APV	6-(5-amino-5-carboxy-pentanoylamino)-3-hydroxymethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@]4(=O)O[Mg]O[P@](=O)(O4)N)O)O)N	APW	{5'-o-[(r)-{[(s)-amino(hydroxy-kappao)phosphoryl]oxy}(hydroxy-kappao)phosphoryl]adenosinato(2-)}magnesium
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)[NH2+]CNC2N	APX	2'-monophosphoadenosine-5'-diphosphoribose
+c1ccnc(c1)CN	APY	2-aminomethyl-pyridine
+c1cc2c(cc1N)C(=O)NNC2=O	APZ	4-aminophthalhydrazide
+c1ccc2c(c1)ccc3c2OC(=CC3=O)C4CCC(CC4)N=[N+]=[N-]	AQ0	2-(cis-4-azidocyclohexyl)-4h-naphtho[1,2-b]pyran-4-one
+CCCC1=CC(=O)NC(=N1)Nc2ccccc2F	AQ1	2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3h)-one
+CC(C)c1cc2c(ccnc2[nH]1)c3ccc(cc3)S(=O)(=O)NC4CCS(=O)(=O)CC4	AQ2	n-(1,1-dioxidotetrahydro-2h-thiopyran-4-yl)-4-[2-(1-methylethyl)-1h-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CNc2ccccc2O)C(=O)O)O	AQ3	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-3-[(2-hydroxyphenyl)amino]-d-alanine
+COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C	AQ4	[6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine
+c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5ccncn5	AQ5	(6~{s})-8-(3-pyrimidin-4-yl-1~{h}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)N4CCN(CC4)C5CCCCC5)Nc6ccc(cc6)C(=O)O	AQ6	4-[[4-azanyl-3-(4-cyclohexylpiperazin-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid
+CCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)C(=O)O	AQ7	n-[(3r)-1-propanoylpiperidine-3-carbonyl]-l-alanine
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cccc(c4n3)OC	AQ8	~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{h}-benzimidazol-2-yl)ethanamine
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O	AQ9	1-o-[(8alpha,9beta,10alpha,13alpha)-13-(beta-d-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-d-glucopyranose
+C1=C(O[C@@H]([C@@H]([C@H]1O)O)O)C(=O)O	AQA	4-deoxy-beta-l-threo-hex-4-enopyranuronic acid
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCCN(C)C	AQB	n-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide
+c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)C(=O)N	AQC	9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
+C[C@@H]1[C@@H](CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl	AQD	nemonapride
+c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5nccs5	AQE	2-[4-[(6~{s})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
+CCN(CC)C(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	AQG	4-{[6-(cyclohexylmethoxy)-7h-purin-2-yl]amino}-n,n-diethylbenzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O)O)O)O)N	AQH	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3r,4r,5r,6s)-6-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+CC[C@@H]1[C@@](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O	AQJ	(3r,5r,6s,7s,9r,11e,13s,14r)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+C(C[C@@H](C(=O)O)NCC(=O)O)CN	AQK	(2~{s})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCN6CCN(CC6)C	AQM	n-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide
+c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O	AQN	9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
+c1ccc2c(c1)C(=O)NC(=N2)N	AQO	2-aminoquinazolin-4(3h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N	AQP	adenosine-5'-tetraphosphate
+C[C@H](C(=O)O)N[C@@H](CCCN)C(=O)O	AQQ	(2~{s})-5-azanyl-2-[[(2~{r})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid
+c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)N(CCC[NH3+])CCC[NH3+]	AQS	n,n-bis(3-aminopropyl)-2-anthraquinonesulfonamide
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)OC	AQT	~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{h}-benzimidazol-2-yl)ethanamine
+CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5ccccc5ncn4	AQU	1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea
+C[C@H]1CC(N(c2c1cccc2)C(=O)CN3C(=O)c4ccccc4C3=O)(C)C	AQV	2-{2-oxo-2-[(4s)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2h)-yl]ethyl}-1h-isoindole-1,3(2h)-dione
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)Cl	AQW	2-(5-chloranyl-1~{h}-benzimidazol-2-yl)-~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine
+Cc1cc(ccc1F)c2c(n3c(n2)cccn3)c4ccnc(c4)NC(=O)c5cc[n+](c(c5)C)[O-]	AQY	n-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide
+Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6	AQZ	n-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylisonicotinamide
+[Ar]	AR	argon
+c1c[n+](ccc1CC(=O)O)C[C@H]([C@H](CCCNC(=[NH2+])N)N)O	AR0	4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-d-erythro-hexitol
+Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)Nc3cn(c(n3)C(=O)NCC[NH+](C)C)C)C)NC=O	AR1	(2-{[4-({4-[(4-formylamino-1-methyl-1h-imidazole-2-carbonyl)-amino]-1-methyl-1h-imidazole-2-carbonyl}-amino)-1-methyl-1 h-imidazole-2-carbonyl]-amino}-ethyl)-dimethyl-ammonium
+[H]/N=C(\N)/NCCC[C@@H](C(=O)c1nc2ccc(cc2s1)C(=O)O)N	AR2	arginyl-benzothiazole-6-carboxylic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O	AR3	cytarabine
+C(CC(=O)OC1C(C(C(O1)CO)O)(O)F)C(C(=O)O)N	AR4	2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C	AR5	n~2~-(tert-butoxycarbonyl)-l-arginine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N	AR6	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2r,3s,4r,5s)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
+C(C[C@@H](C(O)O)N)CNC(=[NH2+])N	AR7	amino{[(4s)-4-amino-5,5-dihydroxypentyl]amino}methaniminium
+c1cc(c(cc1[N+](=O)O)[N+](=O)O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	AR8	n-{[(1s)-5-{4-[25-({2,4-bis[hydroxy(oxo)ammonio]phenyl}amino)-2,5,8,11,14,17,20,23-octaoxapentacos-1-yl]-1h-1,2,3-triazol-1-yl}-1-carboxypentyl]carbamoyl}-l-glutamic acid
+CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCCCC(=O)N[C@H](C(=O)N1)C)C)O	AR9	(2r,4s)-n-butyl-4-[(2s,5s,7r)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide
+C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	ARA	alpha-l-arabinopyranose
+C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	ARB	beta-l-arabinopyranose
+CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO	ARC	3,7,11,15-tetramethyl-hexadecan-1-ol
+Cc1ccc(s1)[C@@H]/2C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O[C@@H](CC(=O)[C@@H](\C=C(\[C@H]([C@H](C(=O)[C@@H](C[C@@H](\C=C\C=C\C=C2/C)C)C)OC)O)/C)C)[C@H](C)C[C@@H]5CC[C@H]([C@@H](C5)OC)O)O)C	ARD	c15-(r)-methylthienyl rapamycin
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO	ARE	acarbose derived pentasaccharide
+C(=O)N	ARF	formamide
+C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N	ARG	arginine
+C(C[C@@H](C(=O)[O-])[NH-])CNC(=[NH2+])N	ARG_LEO2	l-arginine c-terminal deprotonated fragment
+C(C[C@@H](C(=O)O)[NH-])CNC(=[NH2+])N	ARG_LEO2H	l-arginine c-terminal protonated fragment
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)[NH-]	ARG_LEO2H_DHH12	l-arginine-c-terminal protonated fragment/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH-]	ARG_LEO2H_DHH22	l-arginine-c-terminal protonated fragment/with side chain deprotonated nh2
+C(C[C@@H](C(=O)O)[NH-])CNC(=[NH2+])N	ARG_LEO2H_RNH1	l-arginine-c-terminal protonated fragment/side chain resonance alternate
+[H]/N=C(\N)/NCCC[C@@H](C(=O)[O-])[NH-]	ARG_LEO2_DHH12	l-arginine-c-terminal deprotonated fragment/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H](C(=O)[O-])[NH-]	ARG_LEO2_DHH22	l-arginine-c-terminal deprotonated fragment/with side chain deprotonated nh2
+C(C[C@@H](C(=O)[O-])[NH-])CNC(=[NH2+])N	ARG_LEO2_RNH1	l-arginine-c-terminal deprotonated fragment/side chain resonance alternate
+C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N	ARG_LFOH	l-arginine free neutral
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N	ARG_LFOH_DHH12	l-arginine-free neutral/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N	ARG_LFOH_DHH22	l-arginine-free neutral/with side chain deprotonated nh2
+C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N	ARG_LFOH_RNH1	l-arginine-free neutral/side chain resonance alternate
+C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N	ARG_LFZW	l-arginine free zwitterion
+[H]/N=C(\N)/NCCC[C@@H](C(=O)[O-])[NH3+]	ARG_LFZW_DHH12	l-arginine-free zwitterion/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H](C(=O)[O-])[NH3+]	ARG_LFZW_DHH22	l-arginine-free zwitterion/with side chain deprotonated nh2
+C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N	ARG_LFZW_RNH1	l-arginine-free zwitterion/side chain resonance alternate
+C(C[C@@H]([C-]=O)[NH-])CNC(=[NH2+])N	ARG_LL	l-arginine - linking embedded fragment
+[H]/N=C(\N)/NCCC[C@@H]([C-]=O)[NH-]	ARG_LL_DHH12	l-arginine-linking embedded fragment/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H]([C-]=O)[NH-]	ARG_LL_DHH22	l-arginine-linking embedded fragment/with side chain deprotonated nh2
+C(C[C@@H]([C-]=O)[NH-])CNC(=[NH2+])N	ARG_LL_RNH1	l-arginine-linking embedded fragment/side chain resonance alternate
+C(C[C@@H]([C-]=O)[NH3+])CNC(=[NH2+])N	ARG_LSN3	l-arginine n-terminal protonated fragment
+[H]/N=C(\N)/NCCC[C@@H]([C-]=O)[NH3+]	ARG_LSN3_DHH12	l-arginine-n-terminal protonated fragment/with side chain deprotonated nh1
+[H]/N=C(/N)\NCCC[C@@H]([C-]=O)[NH3+]	ARG_LSN3_DHH22	l-arginine-n-terminal protonated fragment/with side chain deprotonated nh2
+C(C[C@@H]([C-]=O)[NH3+])CNC(=[NH2+])N	ARG_LSN3_RNH1	l-arginine-n-terminal protonated fragment/side chain resonance alternate
+C[C@@H]1C[N@@]1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O	ARH	3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-phenyl-1h-indole-4,7-dione
+C[C@@H]1[C@@H](CC[C@@H](O1)O)OC(=O)C	ARI	(2r,3r,6r)-6-hydroxy-2-methyltetrahydro-2h-pyran-3-yl acetate
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N	ARJ	(2s,3r,5r)-3-(6-amino-9h-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone
+c1cc(c(cc1[N+](=O)O)[N+](=O)O)NCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	ARK	n-({(1s)-5-[4-({2-[2-({2,4-bis[hydroxy(oxo)ammonio]phenyl}amino)ethoxy]ethoxy}methyl)-1h-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-l-glutamic acid
+C\C(=C/C(=O)O)\C=C\C=C(/C)\c1cc(cc(c1)C(C)(C)C)C(C)(C)C	ARL	7-(3,5-ditert-butylphenyl)-3-methylocta-2,4,6-trienoic acid
+CC(=O)[C@H](CCCNC(=N)N)N	ARM	deoxy-methyl-arginine
+C(CC=N)CC=O	ARN	1-imino-5-pentanone
+C([C@H](CNC(=[NH2+])N)O)[C@@H](C(=O)O)N	ARO	c-gamma-hydroxy arginine
+C[C@H](Cn1cnc2c1ncnc2N)O	ARP	9-hydroxypropyladenine, r-isomer
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@@+](C)(Cc2ccccc2)NC(=O)c3ccccc3)O	ARQ	benzoylamino-benzyl-methyl-[2-hydroxy-3-[1-methyl-ethyl-oxy-n-formamidyl]-4-phenyl-butyl]-ammonium
+[H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)Cl	ARR	n-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
+[As]	ARS	arsenic
+[O-][As](=O)([O-])[O-]	ART	arsenate
+CCN(CC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(P(=O)(O)O)(Br)Br)O)O)O	ARU	5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-n,n-diethyladenosine
+C=CC\[NH+]=C(\N)/NCCC[C@@H](C(=O)O)N	ARV	5-n-allyl-arginine
+CO[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O	ARW	methyl beta-d-arabinopyranoside
+[H]/N=C(\N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	ARX	(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-n-(6-{[(1r)-4-carbamimidamido-1-{[(1r)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide
+C1C2CC3CC1CC(C2)(C3)C(=O)Nc4nnc(s4)S(=O)(=O)N	ARZ	(3s,5s,7s)-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=S)(O)O)O)N	AS	2-deoxy-adenosine -5'-thio-monophosphate
+C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(COC)OC)c5ccc(cc5)\C=N\O	AS0	4-[(11beta,17beta)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl]benzaldehyde oxime
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(CC(=O)O)C(=O)O	AS1	argininosuccinate
+C(C=O)[C@H](C(=O)O)N	AS2	(2r)-2-amino-4-oxobutanoic acid
+CCCc1cc(cc(n1)N)C	AS3	4-methyl-6-propylpyridin-2-amine
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O	AS4	aldosterone
+Cc1ccc(cc1N(c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)C(C)C)CO	AS6	{4-methyl-3-[(1-methylethyl)(2-{[3-(methylsulfonyl)-5-morpholin-4-ylphenyl]amino}pyrimidin-4-yl)amino]phenyl}methanol
+c1cc(ccc1CNC(=O)C[C@@H](C(=O)O)N)C#N	AS7	n4-(4-cyanobenzyl)-l-asparagine
+CC(=O)OS(=O)(=O)O	AS8	acetylsulfate
+C[P@](=O)(N[C@@H](CC(=O)O)C(=O)O)O	AS9	n-[hydroxy(methyl)phosphoryl]-l-aspartic acid
+C([C@@H](C=O)N)C(=O)O	ASA	aspartic aldehyde
+C([C@@H](C(=O)O)N)C(=O)OCC(=O)O	ASB	aspartic acid-4-carboxymethyl ester
+C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O	ASC	ascorbic acid
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	ASD	4-androstene-3-17-dione
+CC(=O)NCCc1c[nH]c2c1cc(cc2)O	ASE	n-acetyl serotonin
+CCCCS(=O)(=O)CCC(=O)O	ASF	3-(butylsulphonyl)-propanoic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O	ASG	2-acetamido-2-deoxy-4-o-sulfo-beta-d-galactopyranose
+c1cc(cnc1)c2cn3c(cnc3c(n2)Nc4ccc(cc4)N5CCOCC5)Cl	ASH	3-chloro-n-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine
+C([C@@H](C(=O)[O-])N)C(=O)O	ASI	l-iso-aspartate
+C([C@@H](CO)N)C(=O)O	ASJ	(3s)-3-amino-4-hydroxybutanoic acid
+CC(=O)[C@H](CC(=O)O)N	ASK	dehydroxymethylaspartic acid
+CC(C(=O)O)OC(=O)CC(C(=O)O)N	ASL	aspartic acid-4-carboxyethyl ester
+c1ccn(c1)C(=O)C[C@@H](C(=O)O)N	ASM	2-amino-4-oxo-4(1h-pyrrol-1-yl)butanoic acid
+C([C@@H](C(=O)O)N)C(=O)N	ASN	asparagine
+C([C@@H](C(=O)[O-])[NH-])C(=O)N	ASN_LEO2	l-asparagine c-terminal deprotonated fragment
+C([C@@H](C(=O)O)[NH-])C(=O)N	ASN_LEO2H	l-asparagine c-terminal protonated fragment
+C([C@@H](C(=O)O)N)C(=O)N	ASN_LFOH	l-asparagine free neutral
+C([C@@H](C(=O)[O-])[NH3+])C(=O)N	ASN_LFZW	l-asparagine free zwitterion
+C([C@@H]([C-]=O)[NH-])C(=O)N	ASN_LL	l-asparagine - linking embedded fragment
+C([C@@H]([C-]=O)[NH3+])C(=O)N	ASN_LSN3	l-asparagine n-terminal protonated fragment
+C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	ASO	1,5-anhydro-d-glucitol
+C([C@@H](C(=O)O)N)C(=O)O	ASP	aspartic acid
+C([C@@H](C(=O)[O-])[NH-])C(=O)O	ASP_LEO2	l-aspartic acid c-terminal deprotonated fragment
+C([C@@H](C(=O)O)[NH-])C(=O)O	ASP_LEO2H	l-aspartic acid c-terminal protonated fragment
+C([C@@H](C(=O)O)[NH-])C(=O)[O-]	ASP_LEO2H_DHD2	l-aspartic acid-c-terminal protonated fragment/with side chain deprotonated od2
+C([C@@H](C(=O)[O-])[NH-])C(=O)[O-]	ASP_LEO2_DHD2	l-aspartic acid-c-terminal deprotonated fragment/with side chain deprotonated od2
+C([C@@H](C(=O)O)N)C(=O)O	ASP_LFOH	l-aspartic acid free neutral
+C([C@@H](C(=O)O)N)C(=O)[O-]	ASP_LFOH_DHD2	l-aspartic acid-free neutral/with side chain deprotonated od2
+C([C@@H](C(=O)[O-])[NH3+])C(=O)O	ASP_LFZW	l-aspartic acid free zwitterion
+C([C@@H](C(=O)[O-])[NH3+])C(=O)[O-]	ASP_LFZW_DHD2	l-aspartic acid-free zwitterion/with side chain deprotonated od2
+C([C@@H]([C-]=O)[NH-])C(=O)O	ASP_LL	l-aspartic acid - linking embedded fragment
+C([C@@H]([C-]=O)[NH-])C(=O)[O-]	ASP_LL_DHD2	l-aspartic acid-linking embedded fragment/with side chain deprotonated od2
+C([C@@H]([C-]=O)[NH3+])C(=O)O	ASP_LSN3	l-aspartic acid n-terminal protonated fragment
+C([C@@H]([C-]=O)[NH3+])C(=O)[O-]	ASP_LSN3_DHD2	l-aspartic acid-n-terminal protonated fragment/with side chain deprotonated od2
+C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O	ASQ	phosphoaspartate
+c1cc(ccc1N)[As](=O)(O)O	ASR	4-aminophenylarsonic acid
+C/C=C/N(C)Cc1cc2cc(ccc2n1C)OCCCC3CCN(CC3)Cc4ccccc4	ASS	(e)-n-methyl-n-[[1-methyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propoxy]indol-2-yl]methyl]prop-1-en-1-amine
+[O-][As]([O-])[O-]	AST	arsenite
+C1[C@@H]([C@H](S[C@@H]1O)COP(=O)(O)O)O	ASU	4'-thio-2'4'-dideoxyribofuranose-5'-phosphate
+C=C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	ASV	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-vinylglycine
+COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C	ASW	n-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide
+*=C(*)C[C@@H](C(=O)O)N	ASX	asp/asn ambiguous
+CCCCC\C=C\CC(=O)CCCCCCCCC(=O)O	ASY	(12e)-10-oxooctadec-12-enoic acid
+CN(C)CCS(=O)(=O)O	ASZ	2-(dimethylamino)ethanesulfonic acid
+CC(C)(C)c1c(c(no1)OCP(=O)(O)O)C[C@@H](C(=O)O)N	AT1	(s)-2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid
+CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C	AT2	ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
+CC(=O)SCC[N+](C)(C)C	AT3	acetylthiocholine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)S)O)O)N	AT4	5'-o-[(r)-hydroxy(thiophosphonooxy)phosphoryl]adenosine
+C[C@@H](C[C@H](C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O)[C@H](CCl)Cl	AT5	3-[(2s,4s,5r)-5,6-dichloro-2,4-dimethyl-1-oxohexyl]-4-hydroxy-5,6-dimethoxy-2(1h)-pyridinone
+Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N	AT6	n-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-4-cyanobenzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)N=[N+]=N)N	AT7	2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-adenine-5'-monophosphate
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cc(c(cc4n3)Cl)Cl	AT8	2-[5,6-bis(chloranyl)-1~{h}-benzimidazol-2-yl]-~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine
+C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F	AT9	[[(2r,3r,4r,5r)-5-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CCNc1nc(nc(n1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)NC(C)C	ATA	atrazine glutathione conjugate
+CN(C)CC(=O)Nc1ccc2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O	ATC	9-(n,n-dimethylglycylamido)-6-deoxy-6-demethyl-tetracycline
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O	ATD	thymidine-3'-phosphate
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@H](C4)O)C	ATE	16,17-androstene-3-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(F)(F)P(=O)(O)O)O)O)O)N	ATF	phosphodifluoromethylphosphonic acid-adenylate ester
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)S)O)O)N	ATG	phosphothiophosphoric acid-adenylate ester
+C(=C(/[C@H](C(=O)[O-])O)\C(=O)[O-])/C(=O)[O-]	ATH	4-hydroxy-aconitate ion
+CC(C)C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N	ATI	n-(3-amino-2-hydroxy-5-methylhexanoyl)valylvalylaspartic acid
+CCO[P@H](=O)O	ATJ	ethyl hydrogen phosphonate
+c1cc2cnn(c2cc1NC3CCCC3)c4cncc(n4)n5ccc(c5)CC(=O)O	ATK	(1-{6-[6-(cyclopentylamino)-1h-indazol-1-yl]pyrazin-2-yl}-1h-pyrrol-3-yl)acetic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@H]([C@](O2)(CO3)COP(=O)(O)O)O	ATL	[(1s,3r,4s,7r)-7-hydroxy-3-(thymin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-]	ATM	3'-azido-3'-deoxythymidine-5'-monophosphate
+CC(=O)CCl	ATO	chloroacetone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N	ATP	adenosine-5'-triphosphate
+C1CSC(=N1)N	ATQ	2-aminothiazoline
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N	ATR	2'-monophosphoadenosine-5'-diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(C[As](=O)(O)O)O)O)O)N	ATS	gamma-arsono-beta, gamma-methyleneadenosine-5'-diphosphate
+CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc2nnc(s2)S	ATT	2-[3-(5-mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-n-methyl-3-phenyl-propionamide
+c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)[N+](=O)[O-])CC(=O)N2	ATU	9-nitro-5,12-dihydro-7h-benzo[2,3]azepino[4,5-b]indol-6-one
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)C[C@@H]4CO4	ATV	2-[(2r)-oxiran-2-ylmethyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione
+CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O	ATW	(1-{6-[6-(propan-2-ylamino)-1h-indazol-1-yl]pyrazin-2-yl}-1h-pyrrol-3-yl)acetic acid
+C[C@@H](C(=O)c1nnc(o1)C(C)(C)C)N	ATX	(2s)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)C	ATY	3'-o-acetylthymidine-5'-diphosphate
+CCNc1nc(nc(n1)Cl)NC(C)C	ATZ	2-chloro-4-isopropylamino-6-ethylamino -1,3,5-triazine
+[Au+]	AU	gold ion
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)O)O)O)O)N	AU1	5'-o-[(r)-hydroxy(phosphonoamino)phosphoryl]adenosine
+c1ccc(cc1)c2c(cc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3)Cl	AU2	2-(1~{h}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium
+[Au+3]	AU3	gold 3+ ion
+CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)N	AU4	4,4'-(aminomethylene)bis(n,n-dimethylaniline)
+CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3ncc4c(n3)N(C(=O)N4C)C5CCCC5	AU5	9-cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8h-purin-8-one
+Cc1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O	AU6	3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid
+C[C@@H](c1c(cccc1Cl)C2CC2)Oc3ccc4c(c3)c(c(cn4)/C=C/C(=O)O)C5CC5	AU7	(2e)-3-{6-[(1s)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid
+c1ccc(cc1)c2c(cc(cc2Cl)C[NH3+])Cl	AU8	[3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium
+c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4	AUB	4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid
+C(#N)[Au]C#N	AUC	gold (i) cyanide ion
+CC1=CC(=O)NS(=O)(=O)O1	AUD	acesulfame
+c1cc(cc(c1)Cl)c2c(nc3c(n2)c(nc(n3)N)N)N	AUE	6-(3-chlorophenyl)pteridine-2,4,7-triamine
+CC[P-](CC)(CC)[Au+]	AUF	triethylphosphanuidylgold(1+)
+c1cc(cc(c1)Br)c2c(nc3c(n2)c(nc(n3)N)N)N	AUG	6-(3-bromophenyl)pteridine-2,4,7-triamine
+CCc1ccccc1c2ccc(cc2OC)CNCCc3[nH]c4ccccc4n3	AUH	2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine
+CC1=C(C(=O)c2ccccc2N1)C/C=C(\C)/CC/C=C(\C)/C[C@H](C=C(C)C)O	AUI	3-[(2e,6e,9r)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1h)-one
+Cc1ncc(c(n1)N)C[N]2=C(SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](C)(O)OO	AUJ	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{s})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+CC1=C(C(=O)c2ccccc2N1O)C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	AUK	1-hydroxy-2-methyl-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1h)-one
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/CCCNC(=O)CCCCCCCCCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	AUL	2'-deoxy-5-{(1e)-5-[(10-hydroxydecanoyl)amino]pent-1-en-1-yl}uridine 5'-(tetrahydrogen triphosphate)
+C[C@@H](C(=O)Nc1[nH]c(cn1)c2ccc(cc2)Br)Oc3ccc(cc3)c4cn(cn4)C	AUN	(2~{s})-~{n}-[5-(4-bromophenyl)-1~{h}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O	AUO	(8alpha,9beta,10alpha,13alpha)-13-{[beta-d-glucopyranosyl-(1->2)-[beta-d-glucopyranosyl-(1->3)]-beta-d-glucopyranosyl]oxy}kaur-16-en-18-oic acid
+c1ccc(cc1)p2c(c3c(c2c4ccccn4)CCCC3)c5ccccn5	AUP	2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2h-isophosphindol-1-yl)pyridine
+C[C@@H](C(=O)Nc1ccc(cc1)I)Oc2ccc(cc2)OC	AUQ	(2~{s})-~{n}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
+CC[C@@H]1[C@]2([C@H]([C@@](O1)([C@H]([C@@H](O2)\C=C\C=C\C=C\C3=C(C(=CC(=O)O3)OC)C)O)C)OC(=O)C)C	AUR	aurovertin b
+CCc1ccccc1c2c(cc(cc2Cl)CN)Cl	AUT	[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine
+C1CC2C[C@H]1[C@@](C2)(C(=O)O)N	AUU	(1s,2s,4r)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
+c1ccc(c(c1)c2cccc(c2)C(=O)O)O	AUV	3-(2-hydroxyphenyl)benzoic acid
+CCc1ccccc1c2c(cc(cc2Cl)CNCCc3[nH]c4ccccc4n3)Cl	AUW	2-(1~{h}-benzimidazol-2-yl)-~{n}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine
+C[C@H](C/C=C/CCC[n+]1cccc2c1cccc2)[C@H]([C@@H](C(=O)O)NC)O	AUX	4-methyl-4-[8-quinolinium-4-ene]-4,n-methyl-threonine
+Cc1cc(sc1)CNc2cnccc2C(=O)O	AUY	3-[(4-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
+Cc1cccc-2[n+]1[Au]3([n+]4c2cccc4C)O[Au]5(O3)[n+]6c(cccc6-c7[n+]5c(ccc7)C)C	AUZ	bis(m2-oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii)
+CCCCCCCCCCC(CCCCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O	AV0	2-decyl-2-{[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]methyl}dodecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)N	AV1	[(2r,3s,4r,5r)-5-(6-amino-8-bromo-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[V](=O)(O4)O)N	AV2	adenosine-5'-diphosphate-2',3'-vanadate
+CC1=Nc2ccc(c(c2C1)F)Oc3c4cc(c(cc4ncn3)OCCCN5CCCC5)OC	AV3	4-[(4-fluoro-2-methyl-3h-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline
+CN(C)c1cccc(c1)c2cccc(c2)C(=O)O	AV4	3-[3-(dimethylamino)phenyl]benzoic acid
+CC1=Nc2c(c3ccccc3nc2c4ccc(cc4)Cl)C(=O)N1CC(=O)O	AV5	2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
+c1cc2cccc3c2c(c1)NC(N3)c4ccc(c(c4)O)O	AV6	4-(2,3-dihydro-1h-perimidin-2-yl)benzene-1,2-diol
+CC(=O)Nc1cccc(c1)c2cccc(c2)C(=O)O	AV7	3-(3-acetamidophenyl)benzoic acid
+CC1=C/C(=N\C(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)/NO1	AV9	tivozanib
+c1ccnc(c1)c2cccc(c2)C(=O)O	AVA	3-pyridin-2-ylbenzoic acid
+c1cc(ncc1Br)NC(=O)[C@@H]2CCCNC2	AVB	(3~{r})-~{n}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[V@@](=O)(O4)O)N	AVC	adenosine-5'-monophosphate-2',3'-vanadate
+c1ccc(c(c1)C(=O)O)N2C=C(C(=O)c3c2cc(c(c3)Nc4c(cc(cc4Cl)F)F)Cl)C(=O)O	AVD	1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(c(cc1C(=O)O)OC(F)(F)F)NC(=O)NC(=O)c2cc(c(cc2Cl)F)F	AVE	4-[3-(2-chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid
+c1cc(c(cc1F)NC(=O)NC(=O)c2cc(c(cc2Cl)F)F)N3CCC(CC3)C(=O)O	AVF	1-{2-[3-(2-chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid
+C(COCCN)[C@@H](C(=O)O)N	AVG	2-amino-4-(2-amino-ethoxy)-butyric acid
+C=C[C@@H]1CCC([C@@H](C1)O)O	AVH	(1r,2r,4r)-4-ethenylcyclohexane-1,2-diol
+CN(C)[C@@H](Cc1c[nH]cn1)C(=O)O	AVI	n,n-dimethyl-l-histidine
+C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O	AVJ	n,n,n-trimethyl-histidine
+c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]ccn3	AVK	~{n}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{h}-imidazol-2-yl)ethanamine
+CC(C)c1c(c2ccccn2n1)C(=O)C(C)C	AVL	2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
+CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3ccc4cccnc4c3	AVM	3-(3-acetamidophenyl)-5-quinolin-7-yl-benzoic acid
+C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N	AVN	(2s)-amino[(5s)-3-chloro-4,5-dihydroisoxazol-5-yl]acetic acid
+c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCCC2	AVO	pyrrolidinohistidine
+c1nc2c(n1COCCO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N	AVP	acyclovir triphosphate
+Cc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O	AVQ	2-[(2,5-dichlorobenzyl)sulfanyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
+C[C@H](C(=O)c1c2ccccn2nc1C(C)C)N	AVR	(2r)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
+CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)OC)F)C(=O)N1CC(=O)O	AVT	2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@@H](CO4)F)O)O)O)N	AVU	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4r)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)F)N	AVV	[(2r,3s,4r,5r)-5-(6-amino-2-fluoro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)F)O)O)O)N	AVW	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3r,4s)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+Cn1c(cc(n1)c2cc3c(c(c2)Br)OCO3)N	AVX	3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-5-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3	AVY	(1r,2s)-2-{[n-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3c[nH]cn3	AVZ	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{h}-imidazol-4-yl)ethyl]azanium
+Cc1ccc(cc1)NC(=O)NCCC[N@](C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(C)C	AW0	5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine
+CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	AW1	5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine
+CC(C)[N@](CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(c4c3ncnc4N)Br)O)O	AW2	5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(C)(C)c1ccc(cc1)NC(=O)NCCCNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(c4c3ncnc4N)Br)O)O	AW3	5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-d-ribofuranosyl}-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCCc2cccc(c2)Cl	AW4	(1s,2s)-2-[(n-{[2-(3-chlorophenyl)ethoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+Cc1cc(cc(c1)O)C(=O)O	AW5	3-methyl-5-oxidanyl-benzoic acid
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)NS(=O)(=O)c4ccc(cc4)Cl	AW6	4-chloro-n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide
+c1cnc(nc1)Oc2ccc(cc2)c3cc[nH]n3	AW7	2-[4-(1~{h}-pyrazol-3-yl)phenoxy]pyrimidine
+CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)Cl)F)[C@H](N1CC(=O)O)O	AW8	2-[(1~{r})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{h}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
+COC(=O)C=CC(=O)O	AW9	(2z)-4-methoxy-4-oxobut-2-enoic acid
+COc1ccc(cc1)[C@H]2CC(=NC(=O)N2)C(=O)O	AWA	(6~{r})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{h}-pyrimidine-4-carboxylic acid
+CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C	AWB	[(2r,3s,6s,7r,8r)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate
+c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)O)O	AWC	2'-deoxy-5'-o-[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine
+CN1CCN(CC1)C(=O)Nc2ccc(cc2)F	AWD	~{n}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide
+c1cc(cc(c1)F)c2ccc(cc2Cl)CN	AWE	[3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine
+Cc1c(sc(n1)C(C)(C)O)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F	AWF	2-(5-(6-amino-5-((r)-1-(5-fluoro-2-(2h-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol
+c1ccc(c(c1)N)Nc2[nH]c3ccccc3n2	AWG	~{n}2-(1~{h}-benzimidazol-2-yl)benzene-1,2-diamine
+CN\1C(=O)/C(=C/c2ccccc2OCC(=O)O)/S/C1=N\c3cccc(c3)C(=O)O	AWH	3-[(z)-[(5z)-5-[[2-(2-hydroxy-2-oxoethyloxy)phenyl]methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid
+Cc1c(sc(n1)[C@@](C)(CO)O)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3N4NC=CN4)F	AWJ	(2r)-2-[5-(6-amino-5-{(1r)-1-[2-(1,3-dihydro-2h-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol
+CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(cccc4n3)C	AWK	~{n}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{h}-benzimidazol-2-yl)ethanamine
+Cc1ccc(cc1N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)Cl	AWL	1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone
+CN1CCN(CC1)c2nc3ccccc3s2	AWM	2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
+c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]c4ccccc4n3	AWN	2-(1~{h}-benzimidazol-2-yl)-~{n}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine
+CCc1cc(no1)NC(=O)Nc2ccc(cc2)c3cnc(s3)Nc4cc(ncn4)N5C=CN(C=C5)CC	AWO	n-(5-ethyl-1,2-oxazol-3-yl)-n'-[4-(2-{[6-(4-ethylpyrazin-1(4h)-yl)pyrimidin-4-yl]amino}-1,3-thiazol-5-yl)phenyl]urea
+c1cnccc1CCNC(=O)NC2CCCCC2	AWP	1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea
+Cc1c(c(c([nH]1)C)CC(=O)O)CCC(=O)O	AWQ	3-[4-(2-hydroxy-2-oxoethyl)-2,5-dimethyl-1~{h}-pyrrol-3-yl]propanoic acid
+COc1ccc2c3ccnc(c3n(c2c1)CCCCN)C(F)(F)F	AWR	4-(7-methoxy-1-(trifluoromethyl)-9h-pyrido[3,4-b]indol-9-yl)butan-1-amine
+CC1=CC(=O)Oc2c1ccc(c2CN(C)C)O	AWS	8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)c4c[nH]nc4)OC)OC	AWT	6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[3-(1~{h}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine
+C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O	AWU	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+c1ccc2c(c1)c(c[nH]2)CN3CCCCCC3	AWV	3-(azepan-1-ylmethyl)-1~{h}-indole
+Cc1nc2c(c(n1)N[C@H](C)c3ccc(s3)c4ccccc4CO)CC(=C(C2)OC)OC	AWW	[2-[5-[(1~{r})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol
+Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)CNC(=O)C=C)C(=O)NN=C4N)C	AWX	n-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2h-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide
+CC(=O)NCCc1cccc2c1cc(cc2)OC	AWY	~{n}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccc(s3)c4cnc5n4CCC5)OC)OC	AWZ	~{n}-[(1~{r})-1-[5-(6,7-dihydro-5~{h}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
+Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)NC(=O)C=C)C(=O)NN=C4N)C	AX0	n-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2h-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide
+c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2	AX1	2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1(nc(nc(n1)N)N)N	AX2	1,3,5-triazine-2,4,6-triamine
+C1CC1Nc2nc(nc(n2)N)N	AX3	n~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine
+Cc1ccc(cc1)Sc2cc(nc(n2)N)N	AX4	6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine
+c1ccc(cc1)CSc2cc(nc(n2)N)N	AX5	6-(benzylsulfanyl)pyrimidine-2,4-diamine
+COc1ccc(cc1)CSc2cc(nc(n2)N)N	AX6	6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine
+c1ccc2c(c1)[nH]c(n2)N	AX7	1h-benzimidazol-2-amine
+c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N	AX8	1-(3,4-dichlorobenzyl)-1h-benzimidazol-2-amine
+c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CCC[C@H]5CC(=O)N)C(=O)N3)NC(=O)CO2	AXA	(5s)-5-(2-amino-2-oxoethyl)-4-oxo-n-[(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide
+c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CS(=O)(=O)CC5)C(=O)N3)C[N@@](CC2)C6=C(C(=O)C6=O)N	AXB	n-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4h-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide
+Cc1nc2c3ccccc3nc(n2n1)SCc4[nH]c5ccccc5n4	AXC	5-(1h-benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
+CC1(CCN(CC1)c2cc(ccn2)C(=O)O)NCC(=O)N3[C@@H](CC[C@@H]3C#C)CN	AXD	2-[4-({2-[(2s,5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]isonicotinic acid
+C[C@H](c1cccc2c1cccc2)Nc3c4cc(c(cc4ncn3)OC)OC	AXE	6,7-dimethoxy-~{n}-[(1~{r})-1-naphthalen-1-ylethyl]quinazolin-4-amine
+CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1CSC\C=C\CS[C@H]2CCCN[C@H]2C(=O)N[C@H](C(=O)N1)C)O	AXF	(2r,4s)-n-butyl-4-hydroxy-2-methyl- 4-((e)-(4as,12r,15s,17as)-15-methyl -14,17-dioxo-2,3,4,4a,6,9,11,12,13, 14,15,16,17,17a-tetradecahydro-1h-5 ,10-dithia-1,13,16-triaza-benzocycl opentadecen-12-yl)-butyramide
+c1ccc(cc1)CN2CCC(CC2)n3cccc3	AXG	1-(phenylmethyl)-4-pyrrol-1-yl-piperidine
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cs3)c4ccccc4CNC)OC)OC	AXH	6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
+CNC(=O)c1ccccc1Sc2ccc3c(c2)n[nH]c3/C=C/c4ccccn4	AXI	axitinib
+CC1([C@H]2CC=C([C@@H]1C2)CN3CCC[C@@H]3CO)C	AXJ	[(2~{r})-1-[[(1~{r},5~{s})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol
+c1cc(cc(c1)[C@H](c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)[C@@H](O)P(=O)(O)O	AXK	[(~{s})-[4-[3-[(~{r})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccc(cc2)O)N)C(=O)O)C	AXL	2-{1-[2-amino-2-(4-hydroxy-phenyl)-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid
+C1C2CC3CC1CC(C2)(C3)CC(=O)NO	AXM	n-hydroxy-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
+CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCCC4)N(C(=O)C(=O)N3C)C	AXN	~{n}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
+C/C=N/O	AXO	(1e)-n-hydroxyethanimine
+CC(=O)N[C@@H]1[C@H](C[C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O	AXP	(1s)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-d-glycero-d-galacto-octitol
+CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@@H]([C@@H]1CSC\C=C\CSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)OC(C)(C)C)O	AXQ	{(e)-(3r,6s,9r)-3-[(1s,3r)-3-((s)-1 -butylcarbamoyl-2-methyl-propylcarb amoyl)-1-hydroxy-butyl]-6-methyl-5, 8-dioxo-1,11-dithia-4,7-diaza-cyclo pentadec-13-en-9-yl}-carbamic acid tert-butyl ester
+CO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O	AXR	methyl alpha-d-arabinofuranoside
+c1cc(ccc1CNC[C@H]2CCCO2)F	AXS	1-(4-fluorophenyl)-~{n}-[[(2~{r})-oxolan-2-yl]methyl]methanamine
+CC1=C(C(C[C@@H](C1=O)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C	AXT	astaxanthin
+Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccccc5)C(=O)NN=C4N)C	AXU	4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{h}-pyrazolo[3,4-d]pyridazin-7-one
+c1ccc2c(c1)[nH]c(n2)NC#N	AXV	1~{h}-benzimidazol-2-ylcyanamide
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3F	AXW	6-{[(3s,4s)-4-{2-[(2-fluorobenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C1CCc2c(c(c(s2)NC(=O)C3CC3)C(=O)N)C1	AXX	2-[(cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)Oc3ccc(cc3)c4ccccc4	AXY	(2s)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid
+c1cc(ccc1CCN)S(N[C@@H](CO)C(=O)O)(O)O	AXZ	2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid
+CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2ccc(cc2)OP(=O)(O)O	AY0	(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid
+CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)C(C)C	AY1	[(2r,3s,6s,7r,8r)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate
+CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)C(=O)C	AY2	~{n}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
+c1c[nH]nc1c2cc(cc(c2O)F)F	AY4	2,4-bis(fluoranyl)-6-(1~{h}-pyrazol-3-yl)phenol
+c1cc(cc(c1)[C@@H](c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)[C@@H](O)P(=O)(O)O	AY5	[(~{s})-[4-[3-[(~{s})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid
+Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)Cl	AY6	5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-n-(piperidin-1-yl)-1h-pyrazole-3-carboxamide
+c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4ccn[nH]4)OC(F)(F)Cl	AY7	asciminib
+c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2cccc(c2O)C3CCCCC3	AY8	[[3-(3-cyclohexyl-2-oxidanyl-phenyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid
+C1C(=O)C(=C[C@H](O1)CO)O	AY9	ascopyrone m
+C[C@@H](C(=O)O)NC(=O)C	AYA	n-acetylalanine
+CCCOC(=O)NCCCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	AYB	5'-o-[(s)-({(2s)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine
+C[C@H](C(=O)CCC(=O)O)NC(=O)C	AYC	alaremycin 2
+Cc1ncc(c(n1)N)CN/C(=C/CCO[P@@](=O)(O)OP(=O)(O)O)/C	AYD	4-{[(4'-amino-2'-methylpyrimidin-5'-yl)methyl]amino}pent-3-enyl diphosphate
+C=CCN	AYE	prop-2-en-1-amine
+C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N	AYG	[(4e)-2-[(1s)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(=O)C)O	AYH	(1r,3s)-3-[1-(acetylamino)-1-methylethyl]-n-[(1s,2s,4r)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O	AYI	(1r,2s,3r,1s',1s")phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester
+CS(=O)(=O)N(CC(=O)N)C1CCCCC1	AYJ	2-[cyclohexyl(methylsulfonyl)amino]ethanamide
+CC(C)NC(=O)C[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O	AYK	(3~{s})-3-[(1~{s},3~{a}~{s},4~{e},7~{a}~{s})-7~{a}-methyl-4-[(2~{z})-2-[(5~{s})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-3-oxidanyl-~{n}-propan-2-yl-butanamide
+c1cc(ccc1CCCO[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	AYL	5'-o-{(s)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine
+Cn1c2ccccc2cc1CN(C)C(=O)\C=C\c3ccc(nc3)N	AYM	3-(6-aminopyridin-3-yl)-n-methyl-n-[(1-methyl-1h-indol-2-yl)methyl]acrylamide
+c1ccc2c(c1)cc(n2c3cccc(c3)C(F)(F)F)C(=O)N	AYN	1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
+CC(C)(C)Cc1cc(no1)c2c(c(no2)[C@@H](CCC(=O)O)CC(=O)Nc3ccc(cc3Cl)Cl)C4CC4	AYO	(4s)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid
+CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)c2ccc(cc2)OP(=O)(O)O	AYQ	n~2~-({(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-d-glutaminyl-d-aspartamide
+c1cc2c(cc1/C=C/C=C/C(=O)N3CCCCC3)OCO2	AYR	(2e,4e)-5-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
+c1ccc(c(c1)C(=O)N)Nc2ccc(cc2)Cl	AYS	2-[(4-chlorophenyl)amino]benzamide
+CC(C)CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O	AYT	(1~{s},3~{z})-3-[(2~{e})-2-[(1~{s},3~{a}~{s},7~{a}~{s})-7~{a}-methyl-1-[(2~{s})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)O)O)O)N	AYU	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4s,5s,6r)-6-[(1s)-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+CC(CO)(CO)NC(=O)Nc1ccccc1	AYV	1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea
+Cc1cc(cc2c1C(=O)CO2)O	AYW	4-methyl-6-oxidanyl-1-benzofuran-3-one
+c1cc(cc(c1)[N+](=O)[O-])NC(=O)Nc2ccc(cc2)S(=O)(=O)N	AYX	4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide
+c1cc(cc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F)CCC(=O)O	AYZ	3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid
+CCOC(=O)[C@H](CC(=O)N(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O	AZ0	ethyl (5s,8s,14s)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate
+C(CCCC(=O)O)CCCC(=O)O	AZ1	azelaic acid
+CCO[C@@H](Cc1ccc(cc1)OCCc2ccc(cc2)OS(=O)(=O)C)C(=O)O	AZ2	(2s)-2-ethoxy-3-[4-(2-{4-[(methylsulfonyl)oxy]phenyl}ethoxy)phenyl]propanoic acid
+[H]/N=C(/N)\c1ccc(cc1)OCCCCCCCOc2ccc(cc2)/C(=N\[H])/N	AZ3	4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide
+c1c(cnc(n1)N2CCN(CC2)S(=O)(=O)C[C@H](CCc3ncc(cn3)F)N(C=O)O)OCC(F)(F)F	AZ4	n-[(2s)-4-(5-fluoropyrimidin-2-yl)-1-({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)butan-2-yl]-n-hydroxyformamide
+Cc1cc([nH]n1)Nc2c(cnc(n2)N[C@@H](C)c3ncc(cn3)F)Cl	AZ5	5-chloro-n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(5-methyl-1h-pyrazol-3-yl)pyrimidine-2,4-diamine
+C[C@]1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCN(CC2)c3ncc(cn3)OCc4cccc(c4)C#N	AZ6	3-[({2-[4-({[(4s)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}sulfonyl)piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]benzonitrile
+c1cc(ccc1[C@@H](Cc2[nH]c3c(n2)cc(cc3Cl)Cl)CC(=O)O)Cl	AZ7	(3s)-3-(4-chlorophenyl)-4-(5,7-dichloro-1h-benzimidazol-2-yl)butanoic acid
+c1nc2c(nn1)NC(=O)NC2=O	AZ8	pyrimido[5,4-e][1,2,4]triazine-5,7(6h,8h)-dione
+CN1C(=O)c2c(nncn2)NC1=O	AZ9	6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6h,8h)-dione
+c12c([nH]nn1)NC(=O)NC2=O	AZA	8-azaxanthine
+CC(C)c1ccc(cc1)/N=N/c2ccc(cc2)O	AZB	4-{(e)-[4-(propan-2-yl)phenyl]diazenyl}phenol
+CC(=O)NC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	AZC	n-(acetylcarbamoyl)-beta-d-glucopyranosylamine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-]	AZD	3'-azido-3'-deoxythymidine-5'-diphosphate
+C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C	AZE	all-trans axerophthene
+C1[C@H]([C@@H]([C@H](NN1)CO)O)O	AZF	azafagomine
+c12c(nc(nc1O)N)nn[nH]2	AZG	5-amino-1h-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
+C(CN=[N+]=N)[C@@H](C(=O)O)N	AZH	azidohomoalanine
+[N-]=[N+]=[N-]	AZI	azide ion
+CCOC(=O)c1cc(c(nc1C)N2CCC(CC2)C(=O)NS(=O)(=O)Cc3ccccc3)C#N	AZJ	ethyl 6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyano-2-methylpyridine-3-carboxylate
+C(CCN=[N+]=[N-])C[C@@H](CO)N	AZK	(s)-2-amino-6-azidohexanoic acid
+CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NNCCCCN	AZL	1-ethoxycarbonyl-d-phe-pro-2(4-aminobutyl)hydrazine
+CC(=O)Nc1nnc(s1)S(=O)(=O)N	AZM	5-acetamido-1,3,4-thiadiazole-2-sulfonamide
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O	AZN	alizarin red
+CO\C=C(/c1ccccc1Oc2cc(ncn2)Oc3ccccc3C#N)\C(=O)OC	AZO	methyl (2z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate
+CCOC(=O)[C@H](CC(=O)N(CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)O	AZP	(5s,8s,14r)-ethyl 11-(3-amino-3-oxopropyl)-8-benzyl-14-hydroxy-5-isobutyl-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate
+CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C	AZQ	azapropazone
+C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NS(=O)(=O)O	AZR	2-({[(1z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2s,3s)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid
+C([C@@H](C(=O)O)N)OC(=O)C=[N+]=[N-]	AZS	o-diazoacetyl-l-serine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-]	AZT	3'-azido-3'-deoxythymidine-5'-triphosphate
+CC(C)(C)COC(=O)CSC1=NNC(=O)NC1=O	AZU	2,2-dimethylpropyl 2-[[3,5-bis(oxidanylidene)-2~{h}-1,2,4-triazin-6-yl]sulfanyl]ethanoate
+CC(C)[C@H](C(=O)O)Nc1ccc(cc1)CNC(=O)C2N(CCS2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N	AZV	n-(4-{[({(2r)-3-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-d-valine
+c1cc(ccc1CO)/N=N/c2ccc(cc2)COP(=O)(O)O	AZW	4-{(e)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate
+C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2ccc(cc2)C(=O)N(C)C)(C(F)(F)F)O	AZX	4-[(3-chloro-4-{[(2r)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino}phenyl)sulfonyl]-n,n-dimethylbenzamide
+c1cc(c(cc1C[C@@H](C(=O)O)N)N=[N+]=[N-])O	AZY	3-azido-l-tyrosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]	AZZ	3'-azido-3'-deoxythymidine
+CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccccc3	B00	2-amino-3-methyl-6-[(1s,2r)-2-phenylcyclopropyl]pyrimidin-4(3h)-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccn3)Cl)N	B01	d-phenylalanyl-n-[(4-chloropyridin-2-yl)methyl]-l-prolinamide
+Cc1cccc(c1)c2ccc(cc2)[C@@H]3C[C@@H]3C4=CC(=O)N(C(=N4)N)C	B02	2-amino-3-methyl-6-[(1s,2r)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3h)-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccn3)N	B03	d-phenylalanyl-n-(pyridin-2-ylmethyl)-l-prolinamide
+C[n+]1ccccc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	B04	d-phenylalanyl-n-[(1-methylpyridinium-2-yl)methyl]-l-prolinamide
+c1ccc(cc1)COc2ccccc2NC(=O)c3cccc(c3)[N+](=O)[O-]	B05	n-[2-(benzyloxy)phenyl]-3-nitrobenzamide
+c1cc(cc(c1)N2Cc3cccc(c3C2=O)C(=O)O)C(F)(F)F	B06	3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{h}-isoindole-4-carboxylic acid
+B(CNC(=O)c1c(cccc1OC)OC)(O)O	B07	2,6 dimethoxybenzamidoboronic acid
+c1ccc(cc1)c2cccc(c2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O	B08	(1-hydroxy-1-phosphono-2-[1,1';3',1'']terphenyl-3-yl-ethyl)-phosphonic acid
+CONS(=O)(=O)c1ccccc1	B09	n-methoxybenzenesulfonamide
+c1ccc(cc1)OCC(=O)NC2CCCCC2	B0A	~{n}-cyclohexyl-2-phenoxy-ethanamide
+CC(=CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O)C	B0B	(1~{s},3~{z})-3-[(2~{e})-2-[(1~{s},3~{a}~{s},7~{a}~{s})-7~{a}-methyl-1-[(2~{s})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)NC(=O)CN3CCN(CC3)C	B0C	n-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide
+C([C@]1([C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)F)O	B0D	(2r,3s,4r,5r,6r)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol
+c1ccc2c(c1)-c3c(cc(cc3OC2=O)O)O	B0E	1,3-bis(oxidanyl)benzo[c]chromen-6-one
+Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C)NC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7	B0F	(4r)-3-[(2s,3s)-3-[2-[4-[5-[(3as,4s,6ar)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-n-[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]-1,3-thiazolidine-4-carboxamide
+c1ccc(cc1)COC(=O)N2CCC(CC2)O	B0G	(phenylmethyl) 4-oxidanylpiperidine-1-carboxylate
+Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3C[C@@H](C[C@@H](C3)C)C	B0H	~{n}-[4-[[(3~{s},5~{r})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
+Cc1cccc(c1)c2cccc(c2)C	B0I	3,3'-dimethyl-1,1'-biphenyl
+CC1(C[C@H](CCO1)NCc2ccc(cc2)O)C	B0J	4-[[[(4~{s})-2,2-dimethyloxan-4-yl]amino]methyl]phenol
+c1nc2c(n1CCCN)c(c(c(c2Br)Br)Br)Br	B0K	3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine
+C/C=C/C=C/CCC[C@H](C)C(=O)C1=C(C(=CNC1=O)c2ccccc2)O	B0L	4-hydroxy-3-[(2s,6e,8e)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1h)-one
+CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2	B0M	1~{h}-indol-6-yl-(4-methylpiperazin-1-yl)methanone
+Cn1c2cc(ccc2nn1)Cc3cccc(c3)CO	B0N	[3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol
+C/C=C/[C@@H]1[C@H]2CCC[C@@H]([C@H]2C3=C(O1)C(=CNC3=O)c4ccccc4)C	B0O	(6r,6as,10s,10ar)-10-methyl-4-phenyl-6-[(1e)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1h-[2]benzopyrano[4,3-c]pyridin-1-one
+Cn1c2cc(ccc2nn1)NC(=O)c3nccn3Cc4ccccc4	B0Q	~{n}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c([nH]nc3nc2)OC)F	B0R	2,6-difluoro-n-(3-methoxy-2h-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide
+B(CCCCCCCCCCCCC)(O)O	B0S	tridecylboronic acid
+CC[C@H](C)NC(=O)c1ccccc1CN(C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O	B0T	(2s)-6-[[[2-[[(2s)-butan-2-yl]carbamoyl]phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+C(COCCOCCOCCN)C(=O)O	B0U	3-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]propanoic acid
+Cc1cc(c(c(c1)C)NC(=O)COC)C	B0V	2-methoxy-~{n}-(2,4,6-trimethylphenyl)ethanamide
+c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O	B0W	4-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{h}-1,2,4-triazol-3-yl]benzoic acid
+Cc1ccc(c(n1)C)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C	B0X	3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
+CCc1ccc(s1)C(=O)NCc2cnn(c2)C	B0Y	5-ethyl-~{n}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
+c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(F)(F)F	B0Z	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
+CC(C)(C)c1cc(c(c(c1)NS(=O)(=O)C)OC)NC(=O)Nc2ccc(c3c2cccc3)c4ccc(nc4)CN5CCOCC5	B10	n-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide
+c1ccc(c(c1)CNC2CCN(CC2)S(=O)(=O)Nc3cccc(c3)Oc4ccc(cc4)F)O	B11	n-[3-(4-fluorophenoxy)phenyl]-4-[(2-hydroxybenzyl)amino]piperidine-1-sulfonamide
+Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O	B12	cobalamin
+CC1=C2[C@@]([C@@H](C3=CC4C([C@@H](C5=C(C6[C@]([C@H]([C@H]7N6[Co](N45)(N32)N8C1[C@H]([C@]([C@]78C)(C)CC(=O)N)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@@](=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)O)CO)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N	B13	5-hydroxybenzimidazolylcob(iii)amide
+c1cc(ncc1C(=O)N2CCC3(CC2)Nc4c(ccc(c4C(=N3)N)F)F)C#N	B14	1-(6-cyano-3-pyridylcarbonyl)-5',8'-difluorospiro[piperidine-4,2'(1'h)-quinazoline]-4'-amine
+c1cc(ccc1CCNC(=O)c2ccc(cc2)CN3CC(=O)O[Cu]OC(=O)C3)S(=O)(=O)N	B15	[2,2'-({4-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonyl]benzyl}imino)diacetato(2-)-kappao]copper
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O	B16	1,6-di-o-phosphono-beta-d-glucopyranose
+c1cc(ccc1C(=O)NCCOCCOCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N	B17	{1-[4-(aminosulfonyl)phenyl]-11-[(carboxy-kappao)methyl]-1-oxo-5,8-dioxa-2,11-diazatridecan-13-oato(2-)-kappao~13~}copper
+C[C@H]1CNC(=O)c2c1c3cc(ccc3[nH]2)C(=O)Nc4nc(cs4)C(=O)NCCN(C)C	B18	(4r)-n-[4-({[2-(dimethylamino)ethyl]amino}carbonyl)-1,3-thiazol-2-yl]-4-methyl-1-oxo-2,3,4,9-tetrahydro-1h-beta-carboline-6-carboxamide
+CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNS(=O)(=O)N)C	B19	n-{[(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl}sulfamide
+CC(=O)Nc1ccc(cc1)Nc2ccccc2	B1A	~{n}-(4-phenylazanylphenyl)ethanamide
+CC(C)C[C@@H](C(=O)NO)NC(=O)NCc1ccccc1Cl	B1B	(2s)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O	B1C	n-(tert-butoxycarbonyl)-l-tyrosine
+Cc1ccc(cc1Nc2ccc3c(c2)C(=O)N(C=N3)C)NC(=O)c4cccc(c4)C(C)(C)C#N	B1E	3-(2-cyanopropan-2-yl)-n-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide
+B([C@H](Cc1ccccc1)N)(O)O	B1F	phenylalanine boronic acid
+c1cc(ccc1c2nc([nH]n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[N+](=O)O	B1H	(1s)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1h-1,2,4-triazol-5-yl)-d-glucitol
+c1cc(cc(c1)F)N2CCC[C@H](C2)Nc3cc(ncn3)N4CCOCC4	B1I	n-[(3r)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine
+c1cc(ccc1n2cc(nn2)CO)Cl	B1J	[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol
+COc1ccc(cc1)c2[nH]nc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	B1K	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
+c1cc(ccc1C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c3ccc(cc3)O)O	B1L	3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-hydroxybenzoate
+CC1=C2[C@]([C@H](C3=[N+]2[Co]45[N+]6=C1[C@H](C(C6=CC7=[N+]4C(=C(C8=[N+]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@](=O)([OH-])O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO	B1M	co-5-methoxybenzimidazolylcobamide
+c1cc(ccc1c2nc([nH]n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	B1N	(1s)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1h-1,2,4-triazol-5-yl]-d-glucitol
+Cc1ccc(c(n1)C)Oc2ccc3c(c2F)n(c(n3)COc4cccc(c4)C(=O)O)C	B1O	3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
+C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O	B1P	2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranose
+COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)N4C[C@H](CC4=O)CF)N	B1Q	(4s)-1-[(2s,3s,11bs)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)C34C5=C6[Ru]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2	B1R	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2	B1S	(1r,2s)-2-({n-[(benzyloxy)carbonyl]-l-leucyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl	B1T	2,2'-sulfanediylbis(4,6-dichlorophenol)
+c1ccc(c(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[N+](=O)[O-]	B1U	5'-o-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine
+c1c(nc(nc1O)SCC(=O)N2CCCCC2)C(F)(F)F	B1V	2-[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]-6-(trifluoromethyl)pyrimidin-4-ol
+c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N	B1W	(2~{s},3~{r},4~{r},5~{s},6~{r})-2-[5-(4-aminophenyl)-4~{h}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
+c1cc(cc(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C#N	B1X	5'-o-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine
+C1CNC(=O)[C@@H]1C[C@@H]([C@H](O)S(=O)(=O)O)N	B1Y	(1r,2s)-2-amino-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+Cc1cc2c(cc1C)N3C=[N]2[Co]456([N]7=C8C(=C9[N]4=C(C=C1[N]5=C(C(=C2N6C(C7C(C8(CCC(=O)NCC(OP(=O)(OC4C(OC3C4O)CO)O)C)C)CC(=O)N)(C(C2CCC(=O)N)(C)CC(=O)N)C)C)C(C1CCC(=O)N)(C)CC(=O)N)C(C9CCC(=O)N)(C)C)C)CC1C(C(C(O1)n1cnc2c1ncnc2N)O)O	B1Z	adenosylcobalamin
+c1cc2c(c(c1)F)C(=N[C@@H](N2)c3cccs3)N	B2	(2r)-5-fluoro-2-(2-thienyl)-1,2-dihydroquinazolin-4-amine
+B1C=CC=CN1	B20	1,2-dihydro-1,2-azaborinine
+COc1ccccc1c2ccc(o2)C(=O)O	B21	5-(2-methoxyphenyl)-2-furoic acid
+c1cc(cc(c1)NC(=O)CN2CC(=O)O[Cu]OC(=O)C2)C(=O)NCCc3ccc(cc3)S(=O)(=O)N	B22	[2,2'-{[2-({3-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonyl]phenyl}amino)-2-oxoethyl]imino}diacetato(2-)-kappao]copper
+c1ccc(c(c1)c2ccc(o2)C(=O)O)[N+](=O)[O-]	B23	5-(2-nitrophenyl)-2-furoic acid
+B1C=CC=CN1CC	B24	1-ethyl-1,2-dihydro-1,2-azaborinine
+[H]/N=C(/c1cc2cc(ccc2[nH]1)[N+](=O)[O-])\N	B25	5-nitro-1h-indole-2-carboximidamide
+Cc1cc(ccc1Br)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c3cccc(c3)I)C(=O)N[C@H](CNC(=O)Cc4ccc(c(c4)OC)O)C(=O)N	B26	n-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-l-phenylalanyl-n~5~-(3-iodobenzoyl)-l-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-d-alaninamide
+C[C@H]([C@@H](CS)N)O	B27	(2r,3s) 3-amino-4-mercapto-2-butanol
+c1ccc(cc1)c2ccc(cc2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O	B28	(1-hydroxy-1-phosphono-2-[1,1';4',1'']terphenyl-3-yl-ethyl)-phosphonic acid
+c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O	B29	[2-(3-dibenzofuran-4-yl-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid
+B([C@H](C)N)(O)O	B2A	alanine boronic acid
+CC/C(=C\CC[C@H](C)C[C@@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C)[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)O)O)/C=C/C(=O)O	B2B	(2z)-2-[(1r)-3-{[(1r,2s,3r,6s,7s,10s,12s,15e,17e)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)Br)O)/C(=O)N1CC(=O)O)N)O	B2C	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+COc1cc2c(c(ccn2)NCc3nnc4n3nc(cc4)c5ccccc5)nc1	B2D	7-methoxy-n-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
+CN1C(=C(C(=O)N(C1=O)C)C(=O)NCC(=O)O)O	B2E	(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine
+B([C@H](Cc1ccccc1)N)(O)O	B2F	phenylalanine boronic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	B2G	galactobiose
+C[C@H]([C@@H](c1nc(c(n1CC(=O)O)O)Cc2c[nH]c3c2cccc3)N)O	B2H	chromophore (thr, trp, gly)
+B([C@H]([C@H](C)CC)N)(O)O	B2I	isoleucine boronic acid
+CCSc1nc(nc(n1)N)C	B2J	4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine
+Cc1ccc(cc1)S(=O)(=O)c2cc(nc(n2)N)C	B2K	4-methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine
+Cc1cc(nc(n1)N)c2ccc3c4c2cccc4COC3	B2L	4-(1h,3h-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine
+Cc1cc(c2cc(ccc2n1)Br)C(=O)N/N=C\c3cc(cc(c3O)Cl)Cl	B2M	6-bromo-n'-[(1z)-(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-methylquinoline-4-carbohydrazide
+C([C@@H](CN)C(=O)O)C(=O)N	B2N	(2s)-4-amino-2-(aminomethyl)-4-oxobutanoic acid
+CC(C)(C(=O)O)Br	B2P	2-bromo-2-methylpropanoic acid
+CCCC[C@@H]1C[N@@]2CCc3cc(c(cc3[C@H]2C[C@@H]1N)OC)OC	B2Q	(2s,3r,11br)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-amine
+Cc1ccc2ccc(nc2n1)NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(nc4n3)C	B2R	3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{n}-(7-methyl-1,8-naphthyridin-2-yl)carbamate
+CC1=C[C@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO	B2S	(3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
+CSc1nc(nc(n1)N)c2ccccc2Cl	B2T	4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine
+C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@H](Cc3ccccc3)C(=O)O)Cl	B2U	n-[(3r)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1h-2-benzopyran-7-carbonyl]-d-phenylalanine
+B([C@H](C(C)C)N)(O)O	B2V	valine boronic acid
+C1CN=C(C=CN1)C(F)(F)F	B2W	5-(trifluoromethyl)-2,3-dihydro-1~{h}-1,4-diazepine
+CSc1nc(nc(n1)N)c2c3cccc4c3c(cc2Cl)COC4	B2X	4-(5-chloro-1h,3h-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine
+c1ccc(cc1)c2ccccc2CN	B2Y	1-biphenyl-2-ylmethanamine
+C[C@@H](CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)N2)c3ccccc3F	B2Z	(3-(2-fluorophenyl)-n-(1-(2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)ethyl)butanamide)
+c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N	B30	{2,2'-[(2-{[4-(aminosulfonyl)benzoyl]amino}ethyl)imino]diacetato(2-)-kappao}copper
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N	B31	(2s)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-2-hydroxy-3-(beta-d-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide
+CCCCCCCCCCNCCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	B32	5'-s-[2-(decylamino)ethyl]-5'-thioadenosine
+CCCNCCCNCCCNCC	B33	n-ethyl-n-[3-(propylamino)propyl]propane-1,3-diamine
+CC(C)[C@H]1C(=C(C(=O)N1Cc2ccccc2)C3=NS(=O)(=O)c4c3cccc4)O	B34	(5s)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2h-pyrrol-2-one
+COc1ccc(cc1C[C@@H](c2ccc(c(c2)F)OC)c3c[nH]c(n3)N)[N+](=O)[O-]	B35	4-[(1s)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1h-imidazol-2-amine
+Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4c5ccccc5cc6c4cccc6	B36	6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline
+Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6	B37	4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline
+Cc1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cccc5c4[nH]nc5	B38	1'-(1h-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3h)-one
+c1ccc2c(c1)CC[C@@H]2Nc3c4ccn(c4ncn3)[C@@H]5C[C@H]([C@H](C5)O)COS(=O)(=O)N	B39	[(1s,2s,4r)-4-{4-[(1s)-2,3-dihydro-1h-inden-1-ylamino]-7h-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate
+C[C@@H](CC(=O)O)N	B3A	(3s)-3-aminobutanoic acid
+c1ccc(cc1)c2csc(n2)N/N=C/c3ccccc3C=O	B3B	2-{(e)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde
+Cc1ccc(cc1)CO[C@@H]2C[C@H](N(C2)C(=O)[C@@H](CCc3ccccc3)NC(=O)OCc4ccccc4)C(=O)N[C@@H](CCCCN)[C@@H](c5nc6ccccc6o5)O	B3C	benzyl [(1r)-1-({(2s,4r)-2-({(1s)-5-amino-1-[(s)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate
+C(C(CC(=O)O)N)C(=O)O	B3D	3-aminopentanedioic acid
+C(CC(=O)O)[C@@H](CC(=O)O)N	B3E	(3s)-3-aminohexanedioic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCCc2cccc(c2)Cl	B3G	(1r,2s)-2-[(n-{[2-(3-chlorophenyl)ethoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC	B3H	(2s)-2-(butyryloxy)-3-hydroxypropyl nonanoate
+c1c(cc(c(c1C(=O)O)I)I)I	B3I	2,3,5-triiodobenzoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)Cc3ccccc3	B3J	(1s,2s)-2-{[n-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C(CCN)C[C@@H](CC(=O)O)N	B3K	(3s)-3,7-diaminoheptanoic acid
+CC(C)C[C@@H](CC(=O)O)N	B3L	(3s)-3-amino-5-methylhexanoic acid
+CSCC[C@@H](CC(=O)O)N	B3M	(3r)-3-amino-5-(methylsulfanyl)pentanoic acid
+CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO	B3N	4-(dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide
+C[C@H]1CCC[C@@H]2[C@@H]1[C@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4	B3O	(1r,2r,4as,8s,8ar)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2h,2'h-spiro[naphthalene-1,3'-pyridine]-2',4'(1'h)-dione
+C(CNC(CO)(CO)CO)CNC(CO)(CO)CO	B3P	2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol
+C(CC(=O)N)[C@@H](CC(=O)O)N	B3Q	(3s)-3,6-diamino-6-oxohexanoic acid
+c1cc(cc(c1)Br)O	B3R	3-bromophenol
+C([C@H](CO)N)C(=O)O	B3S	(3r)-3-amino-4-hydroxybutanoic acid
+C[C@H]([C@@H](CC(=O)O)N)O	B3T	3-amino-2,3,5-trideoxy-d-threo-pentonic acid
+c1c([nH]c(n1)N)C[C@@H](C(=O)O)N	B3U	2-amino-l-histidine
+CCN(CC)CCNS(=O)(=O)c1cccc(c1)OC	B3V	n-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide
+CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Cl	B3W	4-chloranyl-n-[2-(diethylamino)ethyl]benzenesulfonamide
+C([C@@H](CC(=O)O)N)C(=O)N	B3X	(3s)-3,5-diamino-5-oxopentanoic acid
+c1cc(ccc1C[C@@H](CC(=O)O)N)O	B3Y	(3s)-3-amino-4-(4-hydroxyphenyl)butanoic acid
+CCN(CC)CCNS(=O)(=O)c1ccccc1F	B3Z	n-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide
+C[C@@H](Cc1ccccc1)NC	B40	(2s)-n-methyl-1-phenylpropan-2-amine
+C[C@@H](Cc1ccc2c(c1)OCO2)NC	B41	(2s)-1-(1,3-benzodioxol-5-yl)-n-methylpropan-2-amine
+CC(C)CC[C@@]1(CN(C(=O)C(=C1O)C2=NS(=O)(=O)c3cc(ccc3N2)NS(=O)(=O)C)C4CCCC4)C	B42	n-{3-[(5r)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	B43	4-amino-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane
+c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O	B44	n-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate)
+CC(C)N1CCC(CC1)c2cc(c3c(c2)N(C(=O)NC3)c4c(cccc4Cl)Cl)c5ccc(cc5Cl)F	B45	5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1h)-one
+C#CCOC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3cccnc3)N4CCCCC4	B46	prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1h-pyrazol-3-yl]methyl}carbamate
+COC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3ccccc3)N4CCC(CC4)O	B47	methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1h-pyrazol-3-yl}methyl)carbamate
+Cc1c(sc(n1)c2cccs2)c3cc(n[nH]3)SC	B48	4-methyl-5-[3-(methylsulfanyl)-1h-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole
+CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C	B49	n-[2-(diethylamino)ethyl]-5-[(z)-(5-fluoro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-2,4-dimethyl-1h-pyrrole-3-carbo xamide
+c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5ccccc5	B4A	2-phenyl-n-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	B4B	5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
+c1ccc(cc1)CC[C@@H](C(=O)N[C@@H](CCCCN)[C@@H](c2nc3ccccc3o2)O)NC(=O)[C@H](CCCCN)NC(=O)OCc4ccccc4	B4C	benzyl [(1s)-5-amino-1-{[(1s)-1-({(1s)-5-amino-1-[(s)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-3-phenylpropyl]carbamoyl}pentyl]carbamate
+C=CCSC[C@H]1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl	B4D	(3s)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+c1cn2c3c(cn2)-c4cc(cc(c4)Cl)OCCOCCNc1n3	B4E	cyclical inhibitor od36
+c1cc(c(cc1C(=O)NCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O	B4F	biotin-4-fluorescein
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	B4G	galactotriose
+C=NC(=O)c1cccc(c1)[N+](=O)[O-]	B4H	n-methylidene-3-nitrobenzamide
+CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)CNC(=O)c4ccc(c(c4)OC)OC)C1	B4J	3,4-dimethoxy-n-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide
+CC(=O)Nc1c2ccc(nc2[nH]n1)c3ccc(c(c3)O)O	B4K	~{n}-[6-[3,4-bis(oxidanyl)phenyl]-1~{h}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide
+CN1CCC[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C	B4L	3-methyl-2-[[(3~{r})-1-methylpiperidin-3-yl]amino]-5~{h}-pyrrolo[3,2-d]pyrimidin-4-one
+C(Br)(Br)Br	B4M	tris(bromanyl)methane
+c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-]	B4N	bis(4-nitrophenyl) hydrogen phosphate
+CC1=CC(=O)N(C(=C1)C2CCCCC2)O	B4O	6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	B4P	bis(adenosine)-5'-tetraphosphate
+CCc1ccccc1c2ccc(cc2C)CNCCc3[nH]c4ccccc4n3	B4Q	2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine
+B(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CCO[C@@H]4[C@H]3CCO4)O)CC(C)C)(O)O	B4R	{4-[{(2r,3s)-3-[({[(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid
+c1cc(ccc1c2ccc(c(c2)F)C(F)(F)F)S(=O)(=O)N	B4S	3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	B4T	mono-pegylated sulfonatocalix[4]arene
+Cc1c(nnn1c2c(non2)N)C(=O)NCc3cccc(c3)C(=O)Nc4nc5c(s4)CN(CC5)C	B4V	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-n-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1h-1,2,3-triazole-4-carboxamide
+c1ccc2c(c1)c(nc(n2)c3ccccc3O)N[C@H]4CCNC4	B4W	2-{4-[(3s)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	B4X	di-pegylated sulfonatocalix[4]arene
+CN(C)[C@H]1CCc2c(sc(n2)NC(=O)c3cccc(c3)[C@H]4CCCN4C(=O)Nc5cccc(c5)C#N)C1	B4Y	(2r)-n-(3-cyanophenyl)-2-(3-{[(6s)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl}phenyl)pyrrolidine-1-carboxamide
+c1ccc(cc1)CNCCNS(=O)(=O)c2cccc3c2ccnc3	B4Z	~{n}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide
+CN1CCN(CC1)CCCNC(=O)c2c(c(cn2CC[C@@H](CO)O)c3ccc(cc3)Cl)c4ccccc4	B50	4-(4-chlorophenyl)-1-[(3s)-3,4-dihydroxybutyl]-n-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1h-pyrrole-2-carboxamide
+[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45	B51	nickel/iron/sulfur cluster
+C[C@H](C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C)C(=O)O	B52	(2r)-2-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
+C1(=C(N=C(NC1=O)N)N)N=O	B53	2,6-diamino-5-nitrosopyrimidin-4(3h)-one
+c1cc(ccc1C(=O)O)OCCCNC2=C(C(=O)NC(=N2)N)N=O	B54	4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydropyrimidin-4-yl)amino]propoxy}benzoic acid
+c12c([nH]c(n1)S)N=C(NC2=O)N	B55	2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one
+CN1CC(=NC2=C1N=C(NC2=O)N)C(=O)O	B56	2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid
+C1(=C(N=C(NC1=O)N)N)[N+](=O)[O-]	B57	2,6-diamino-5-nitropyrimidin-4(3h)-one
+c1[nH]c2c(n1)c(nnc2N)N	B58	1h-imidazo[4,5-d]pyridazine-4,7-diamine
+CN1C2=C(C(=O)N(C1=O)C)N=C(C(=O)N2)C=O	B59	1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde
+c1c2c(ncnc2n(n1)CC3CCNCC3)N	B5A	1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)Cc1c(ncn1CCCn2ccnc2)c3ccccc3	B5B	1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole
+CC(=O)Oc1ccc2c(c1)SC(=O)O2	B5C	2-oxo-2h-1,3-benzoxathiol-5-yl acetate
+C[C@H]1Nc2ccc(cc2S(=O)(=O)N1)Cl	B5D	(3s)-7-chloro-3-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3	B5E	2-(1~{h}-benzimidazol-2-yl)-~{n}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine
+c1c(cc(cc1OP(=O)(O)O)OP(=O)(O)O)c2c(cc(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	B5F	biphenyl 2,3',4,5',6-pentakisphosphate
+CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)[C@H]4CCCN4C(=O)Nc5cccc(c5)C#N)C1	B5G	(2r)-n-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide
+c1cc(cc(c1)Br)/C=C\2/C(=O)NC(=O)N2	B5H	(5z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione
+C[P+](c1ccccc1)(c2ccccc2)c3ccccc3	B5J	methyltriphenylphosphonium
+CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3cc(c(c(c3)F)F)F)C=O	B5K	3-[(1~{r})-2-(~{tert}-butylamino)-1-[methanoyl-[[3,4,5-tris(fluoranyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]-6-chloranyl-1~{h}-indole-2-carboxylic acid
+C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+]	B5L	n~1~,n~1~,n~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium
+Cc1cccc(c1C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	B5M	9-(5-o-{(s)-hydroxy[(2-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine
+Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(cc3)F	B5N	[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone
+CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cc(ccc4F)CO)F)C(=O)C1	B5O	(6r)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5h-benzotriazol-4-one
+CC(C)CCN1c2nccn2C(=C(C1=O)C3=NS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O	B5P	n-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+CNCc1ccccc1c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4	B5Q	[2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
+C[C@](COc1ccc(c(c1)F)Cl)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O	B5R	(2s)-3-(4-chloro-3-fluorophenoxy)-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
+COc1cc(cc(c1)O)Nc2ccc(c(c2)OCCC[NH3+])C(=O)Nc3ccccc3	B5S	3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium
+c1cc(cnc1)c2c[nH]c3c2cc(cn3)c4ccc(cc4)S(=O)(=O)N	B5T	4-(3-pyridin-3-yl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
+Cc1ccc(cc1C)c2cnc(c(n2)C(=O)N)Nc3ccc(cc3)OCCCN4CCN(CC4)C	B5U	6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide
+c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	B5V	9-(5-o-{(s)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine
+c1ccc(cc1)CCC[NH2+]Cc2ccc(c(c2)Cl)c3ccccc3	B5W	(3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium
+CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cccc(c4)N(C)C)F)C(=O)C1	B5X	(6r)-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5h-benzotriazol-4-one
+Cc1ccc(c(c1)C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	B5Y	9-(5-o-{(s)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-l-lyxofuranosyl)-9h-purin-6-amine
+c1cc(cc(c1)NC(=O)NCCN2CCOCC2)c3ccc4c(n3)sc(n4)NC(=O)C5CC5	B5Z	~{n}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
+CN1CC=NC2=C1N=C(NC2=O)N	B60	2-amino-8-methyl-7,8-dihydropteridin-4(3h)-one
+CC(C)(CC1=NC2=C(N=C(NC2=O)N)N(C1)C)O	B61	2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3h)-one
+C[C@@H]1CNC2=C(N1)C(=O)NC(=N2)N	B62	(6r)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3h)-one
+c1cc(ccc1C(=O)O)NCCC2=NC3=C(NC2)N=C(NC3=O)N	B63	4-{[2-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)ethyl]amino}benzoic acid
+COC(=O)c1c(cc(s1)c2cccs2)NC(=O)C=CC(=O)O	B64	4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid
+c1ccc(cc1)Oc2cccc(c2)CCC[C@H](P(=O)(O)O)S(=O)(=O)O	B65	(1r)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid
+C[C@](COc1ccc(cc1)[N+](=O)[O-])(C(Nc2ccc(c(c2)C(F)(F)F)C#N)O)O	B66	4-{[(1r,2s)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile
+C[C@](COc1c(c(c(c(c1F)F)F)F)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O	B67	(2s)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide
+CC(=O)Nc1ccc(cc1)OC[C@@](C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O	B68	(2s)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
+CCCCc1ccc(cc1)c2ccc(cc2)CCC[C@H](P(=O)(O[K])O[K])S(=O)(=O)O[K]	B69	tripotassium (1r)-4-(4'-butylbiphenyl-4-yl)-1-phosphonatobutane-1-sulfonate
+c1ccc(cc1)C(=O)c2ccc3c(c2)n(c(n3)N)CC4CCNCC4	B6A	[2-amino-1-(piperidin-4-ylmethyl)-1h-benzimidazol-6-yl](phenyl)methanone
+COc1ccc(cc1c2cnc(c(n2)C(=O)c3cccnc3)N)N	B6B	[3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone
+Cc1c(c(n[nH]1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)NO)Cl	B6C	2-{[2,6-dichloro-4-(3,5-dimethyl-1h-pyrazol-4-yl)phenyl]amino}-n-hydroxybenzamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)NC(=O)C	B6D	2,4-bisacetamido-2,4,6-trideoxy-beta-d-glucopyranose
+c1cc(oc1)C(=O)Nc2[nH]c3ccc(cc3n2)Oc4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F	B6E	~{n}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{h}-benzimidazol-2-yl]furan-2-carboxamide
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)C34C5=C6[Fe]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2	B6F	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{6-[(6-{[5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}hexanoyl)amino]hexanoyl}cyclopentadienyl]iron
+CC(C)[C@@H](C(=O)OP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	B6G	(2s)-2-amino-3-methylbutanoyl (2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (s)-phosphate
+CCC(=O)Nc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3OC)N4CCN(CC4)C)N	B6H	~{n}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
+c1cc(cc(c1)O)c2c(nc3c(n2)c(nc(n3)N)N)c4cccc(c4)O	B6J	3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol
+c1c(cc(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)c2cc(c(c(c2)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	B6K	biphenyl 3,3',4,4',5,5'-hexakisphosphate
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)c3ccc(cc3F)C(C(F)(F)F)(C(F)(F)F)O	B6L	2-[4-(ethylsulfonyl)phenyl]-n-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide
+C1[C@H]([C@@H]([C@@H]([C@@H]([C@@H]1N)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@@H](O4)CN)O)O)N)O)O)N	B6M	(1r,2s,3s,4r,6r)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-alpha-l-altropyranosyl)-beta-l-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-allopyranoside
+c1cc2c(cc1c3c[nH]nc3)c4c(cn2)C=CC(=O)N4c5ccc(cc5C(F)(F)F)F	B6N	1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{h}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
+CN(C)c1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F	B6O	3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	B6P	p1,p6-di(adenosine-5') hexaphosphate
+CCC(=O)Nc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)N4CCN(CC4)C)N	B6Q	~{n}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
+COc1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F	B6R	3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione
+c1cc2c(cc1S(=O)(=O)O)scn2	B6S	1,3-benzothiazole-6-sulfonic acid
+CC(C)c1c(c2ncc(n2nc1c3ccccc3)C#N)O	B6T	8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile
+c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cc(ccc5F)CO)F)C2=O	B6U	3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione
+CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)CCNC(=O)CCl	B6W	2-chloranyl-~{n}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{h}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide
+CCCCCC[C@H](CC(=O)O)SCC(=O)O	B6X	(3r)-3-[(carboxymethyl)sulfanyl]nonanoic acid
+CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S(=O)(=O)O	B6Y	(1r,2s)-2-{[n-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nc(c(s3)C(=O)c4ccccc4)N	B6Z	[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone
+c1ccc(cc1)c2ccc(cc2)CCC[C@H](P(=O)(O[K])O[K])S(=O)(=O)O[K]	B70	tripotassium (1r)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate
+CCCCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	B71	3-(decyloxy)-1-(2,2-diphosphonoethyl)pyridinium
+Cc1cc(cc(c1Cc2ccc(c(c2)C(C)C)O)C)OCC(=O)O	B72	{4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
+CCCCCCCCCCCCn1cc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	B73	3-(2,2-diphosphonoethyl)-1-dodecyl-1h-imidazol-3-ium
+Cc1cccc(c1)CO	B74	(3-methylphenyl)methanol
+c1ccc2cc(ccc2c1)S(=O)(=O)Nc3cccc(c3)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O	B75	1-hydroxy-2-[3'-(naphthalene-2-sulfonylamino)-biphenyl-3-yl]ethylidene-1,1-bisphosphonic acid
+c1ccc(cc1)c2cccc(c2)c3cccc(c3)OCC(O)(P(=O)(O)O)P(=O)(O)O	B76	[1-hydroxy-2-(1,1':3',1''-terphenyl-3-yloxy)ethane-1,1-diyl]bis(phosphonic acid)
+Cc1ccc(c(c1)OCc2ccccn2)OC	B77	2-[(2-methoxy-5-methylphenoxy)methyl]pyridine
+Cc1ccc(cc1OCc2ccncc2)OC	B78	4-[(5-methoxy-2-methylphenoxy)methyl]pyridine
+CN(C)C[C@@H]1[C@@H]([C@H]2N1CCCCN(C2)C(=O)Nc3ccc(cc3)OC)c4ccc(cc4)C#Cc5ccccc5	B79	(8r,9s,10s)-10-[(dimethylamino)methyl]-n-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	B7A	2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate)
+CN1c2cnc(nc2N([C@@H]3CCC[C@@H]3C1=O)C4CCCC4)Nc5ccc(cc5)C(=O)N	B7B	4-[[(3~{r},7~{s})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide
+C1C=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	B7C	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7,8-dihydropyrido[2,3-d]pyrimidin-2(3h)-one
+c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl	B7D	(3r)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+C[C@H]1C[C@@]2(CC[C@@H]1OC)Cc3ccc(cc3[C@@]24COC(=N4)N)c5cncnc5	B7E	compound 28
+C(C(C(C(F)(F)F)(F)F)(F)F)O	B7F	2,2,3,3,4,4,4-heptafluorobutan-1-ol
+CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	B7G	heptyl beta-d-glucopyranoside
+Cc1c(n[nH]c1c2cc3c(c(c2)F)NC(=O)C3(C)C)C#N	B7H	5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1h-indol-5-yl)-4-methyl-1h-pyrazole-3-carbonitrile
+c1cc(ccc1c2[nH]ccn2)OCCCCCCCOc3ccc(cc3)c4[nH]ccn4	B7I	2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1h-imidazole)
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	B7J	2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate)
+CC(C)C1C(=Nc2c(cnn2C1=O)C#N)c3cnn(c3)C4CCN(CC4)C(=O)C=C	B7K	7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1cc2cc(oc2c(c1)C(=O)O)CNC(=O)c3cnn4c3nccc4	B7L	2-({[(8r)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid
+CCC\C=C/C=C/CCCCCCCCC=O	B7M	(10e,12z)-hexadeca-10,12-dienal
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C/CCCCCCCC	B7N	(1r)-2-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate
+CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc4c(c3)OCCO4	B7O	~{n}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	B7P	2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate)
+CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C4CCN(CC4)C(=O)CCl	B7Q	5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{h}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1c(cc2c(c1O)C(=O)C=CO2)O	B7S	5,7-dihydroxy-4h-1-benzopyran-4-one
+Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)C5(C3)CCC(CC5)OC	B7T	(1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'h-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine
+C[C@@H](c1ccccc1)C(=O)N[C@H](C)c2ccccc2	B7U	(2s)-2-phenyl-n-[(1r)-1-phenylethyl]propanamide
+COc1cc(ccc1Cl)Nc2c(cn(n2)[C@H]3COCC[C@@H]3C#N)C(=O)N	B7V	3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3r,4s)-4-cyanooxan-3-yl]-1h-pyrazole-4-carboxamide
+c1cc(cc(c1)N)c2cc3c(c[nH]c3nc2)c4cccnc4	B7W	3-(3-pyridin-3-yl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)aniline
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC(=O)O)O	B7X	(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)
+CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4	B7Z	8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CC[C@H]1CC(=C(C(=O)N1Cc2ccc(cc2)F)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C)O	B80	n-{3-[(6s)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C	B81	(3alpha,8alpha,17beta)-androst-5-ene-3,17-diol
+CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc2ccccc2C(=O)O	B82	2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid
+C[C@@H]1C[C@@H](CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(=O)O)C	B83	2-[({4-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-phenoxyphenyl}carbonyl)amino]benzoic acid
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)[C@@H](CC3CCCC3)C(=O)Nc4nc5ccc(nc5s4)OC	B84	(2r)-3-cyclopentyl-n-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide
+c1ccc(cc1)CP(=O)(O)O	B85	benzylphosphonic acid
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)O	B86	2'-deoxy-5-fluorocytidine
+c1ccc2c(c1)cc(s2)c3cc(ncn3)N4CCN(CC4)CC(=O)N5CCCC5	B87	4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine
+C[C@H](N)[P@](=O)(C[C@@H](CC(=O)O)C(=O)O)O	B88	(2s)-2-{[(s)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid
+CC/C(=N\OC/C=C/Cl)/C1=C(C[C@@H](CC1=O)C2CCOCC2)O	B89	(5s)-2-[(1e)-n-{[(2e)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2h-pyran-4-yl)cyclohex-2-en-1-one
+B1234B567B189B212B33%10B454B656B787B911C232C4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565C318C4752CCNS(=O)(=O)N	B8B	cobaltcarborane
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)O/C(=C(\C(=O)O)/O)/C(=O)O)C[C@@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O	B8C	(~{e})-2-[[(4~{a}~{s})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{s},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{h}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid
+CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO	B8D	4-o-methyl-alpha-d-glucopyranose
+Cc1c(nc(s1)c2ccccc2)CC(=O)OC	B8E	methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanoate
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O	B8F	(5beta)-3-oxours-12-en-28-oic acid
+CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	B8H	[(2~{r},3~{s},4~{r},5~{s})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CN1c2ccccc2N(C1=O)C3CCN(CC3)CCCn4c5c(c(n4)c6ccc(cc6)C(F)(F)F)CN(CC5)C(=O)c7cnc[nH]7	B8J	1-[1-(3-{5-(1h-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2h-benzimidazol-2-one
+CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	B8K	7-acetyl, guanosine-5'-monophosphate
+CC[C@H](C)c1cc(ccc1O)C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c3ccc(cc3)C(=O)c4cc(ccc4O)OC	B8L	3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate
+CCCCC\C=C/C=C/CCCCCCCO	B8M	(8e,10z)-hexadeca-8,10-dien-1-ol
+CN1C=C(C(=O)N(C1=O)CC[C@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	B8N	(2~{r})-2-azanyl-4-[5-[(2~{s},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid
+CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc5c(c4)OCCO5	B8O	2-{[(3r,5r)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+c1ccc2c(c1)nc(c(n2)OCc3ccccn3)CCC(=O)O	B8P	3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid
+CN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	B8Q	3-methyl, cytidine-5'-monophosphate
+CN(C)C(=O)[C@@H](CCCCCCC[C@@H](C(=O)O)N)N	B8R	(2s,10r)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid
+CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C(=CC=N4)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl	B8S	n-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide
+CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	B8T	4-methyl, cytidine-5'-monophosphate
+COc1ccccc1C2CCN(CC2)C[C@@H](Cn3c4c(c(n3)c5ccc(c(c5)SCCN6CCCCC6)C(F)(F)F)CNCC4)O	B8V	(2s)-1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol
+COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	B8W	6-methyl, guanosine-5'-monophosphate
+CCCc1ccc(cc1[C@H]2C[C@H]2c3ccccn3)c4ccc(cc4)S(=O)(=O)CCO	B8X	2-[4-[4-propyl-3-[(1~{s},2~{r})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
+CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=CN=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl	B8Y	n-{[2-chloro-5-(4-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-3,4-dihydropyrazin-2-yl)phenyl]methyl}-4-fluorobenzamide
+Cc1ccc2c(c1/C=C/n3cnc4c3ncnc4Nc5ccc(cc5)P(=O)(C)C)cn[nH]2	B90	n-[4-(dimethylphosphoryl)phenyl]-9-[(e)-2-(5-methyl-1h-indazol-4-yl)ethenyl]-9h-purin-6-amine
+Cc1ccc(cc1/C=C/n2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(cc(c5)n6cc(nc6)C)C(F)(F)F	B91	3-{(e)-2-[6-(cyclopropylamino)-9h-purin-9-yl]ethenyl}-4-methyl-n-[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C2CCCC[C@@H]2N3N1C(=O)N(C3=O)C[C@H](CCC(=O)O)NC(=O)Cc4ccccc4	B92	(3s)-3-({[(5s,10as)-2-{(2s)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1h-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C(CN2N1C(=O)N(C2=O)CCNC(=O)c3ccc4c(c3)nc[nH]4)CC5CCCCC5	B93	(3s)-3-({[(5s)-2-{2-[(1h-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C[C@H](N2N1C(=O)N(C2=O)CCCC(=O)O)CCNC(=O)Cc3ccc(cc3)Cl	B94	(3s)-3-({[(5s,8r)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid
+c1ccc2c(c1)[nH]c(n2)CCNC(=O)COc3ccccc3Br	B95	n-[2-(1h-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5	B96	1-(5-tert-butyl-2-p-tolyl-2h-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-urea
+Cc1ccc(cn1)c2ccc3c(n2)ccc4c3c5c(s4)C(=O)N[C@@H](CN5)C	B97	(10r)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8h-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one
+COc1ccc2c(c1)c3c(s2)C(=O)N[C@@H](CN3)CN	B98	(3r)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5h-[1]benzothieno[3,2-e][1,4]diazepin-5-one
+Cc1c2cc(ccc2n[nH]1)c3cc(cnc3c4ccoc4)OC[C@H](Cc5c[nH]c6c5cccc6)N	B99	(2s)-1-{[6-furan-3-yl-5-(3-methyl-2h-indazol-5-yl)pyridin-3-yl]oxy}-3-(1h-indol-3-yl)propan-2-amine
+c1ccc2c(c1)c3c4cccc(c4n2)CSCCN[C@H](CCC(=O)NCCSCc5cccc6c5nc7ccccc7c6NCCCNCCCCNCCCN3)O	B9A	macrocyclic-bis-9-amino-acridine
+CCCOc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	B9B	6-propyl, guanosine-5'-monophosphate
+CS(=O)(=O)Nc1ccccc1CNc2ccc3c(c2)c(n[nH]3)c4ccc(nc4)N5CCNCC5	B9C	n-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1h-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide
+C([C@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O	B9D	5-fluoro-alpha-l-idopyranose
+C1[C@H]2[C@@H]([C@@H](S1)CCCC[C@@H](C34C5[Fe]3678913(C5C6C74)C4C8C9C1C34)O)NC(=O)N2	B9F	[(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-1-[1-hydroxy-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentyl]cyclopentadienyl}iron
+CCCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N	B9H	2'-methyl, 3-propyl, cytidine-5'-monophosphate
+Cc1c([nH]c(n1)SC)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4	B9K	4-(4-methyl-2-methylsulfanyl-1~{h}-imidazol-5-yl)-~{n}-(4-morpholin-4-ylphenyl)pyridin-2-amine
+CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)CO	B9L	n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-nalpha-methyl-l-phenylalaninamide
+CCCC#C\C=C\CCCCCCCCCO	B9M	(10e)-hexadec-10-en-12-yn-1-ol
+COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3[C@H](CCC(=O)O)C(=O)O	B9N	(2~{s})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1csc2c1cccc2)CO)NC	B9O	n-[(2s)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-n~2~-methyl-l-valinamide
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)C(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	B9P	1-biotinylpyrene
+C[C@@H]([C@@H](c1ccc(nc1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C5CC5	B9Q	~{n}-[(1~{r},2~{s})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CO)NC	B9R	n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-n~2~-methyl-l-valinamide
+CC1(CCN(CC1)C[C@@H](Cn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C)O)C	B9S	(2s)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl)phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol
+C[C@@H]([C@@H](c1cnc(nc1)C2CC2)Oc3ccc(cc3Br)C#N)NC(=O)C(C)(F)F	B9T	~{n}-[(1~{r},2~{s})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CO)O	B9U	(2s)-2-hydroxy-n-[(2s)-1-hydroxy-3-(1h-indol-3-yl)propan-2-yl]-3-methylbutanamide
+CC(C)[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F	B9W	2,2-bis(fluoranyl)-~{n}-[(1~{r},2~{s})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide
+CCOCCOCCC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2ncnc3N	B9X	[(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] 3-(2-ethoxyethoxy)propanoate
+c1cc(c(cc1c2c3c(n(n2)C[C@H](CN4CCCCC4)O)CCN(C3)C(=O)CO)SCCN5CCC(CC5)F)C(F)(F)F	B9Y	1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-[(2s)-2-hydroxy-3-(piperidin-1-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-hydroxyethan-1-one
+COc1ccc(cc1)c2ccc(cc2)Sc3ccccc3[C@H](CCC(=O)O)C(=O)O	B9Z	(2~{s})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid
+[Ba+2]	BA	barium ion
+CCC(=O)N1CCC(CC1)[C@@H]2CCNc3n2nc(c3C(=O)N)c4ccc(cc4)Oc5ccccc5	BA0	(7s)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccc(cc4)O)O)C(=O)O	BA1	balanol
+CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O	BA2	5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)butyl]amino}adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	BA3	bis(adenosine)-5'-triphosphate
+CCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	BA4	[[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate
+COC(=O)C1=C(c2cccnc2N(C1=O)O)N	BA5	methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate
+C(CC[C@@H](CO)O)CCO	BA6	(2s)-heptane-1,2,7-triol
+c1ccc(cc1)C(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	BA7	[(2r,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate
+c1ccc(c(c1)n2c(ccn2)c3cc(c(cc3O)O)CCc4ccccn4)Cl	BA8	4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol
+CC(C)(O)O	BA9	propane-2,2-diol
+C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)OC(C)(C)C	BAA	(tert-butyloxycarbonyl)-alanyl-alanyl-amine
+c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N	BAB	bis(5-amidino-benzimidazolyl)methane
+c1cc(ccc1CNC=O)I	BAC	n-(4-iodo-benzyl)-formamide
+CC(C)(C)C(=O)NC	BAE	n-methyltrimethylacetamide
+C[C@@H](C(=O)N[C@@H](C)NC=O)NC(=O)OC(C)(C)C	BAF	(tert-butyloxycarbonyl)-alanyl-amino ethyl-formamide
+c1ccc(cc1)C(=O)NC(=C(N)O)CCCNC(=N)N	BAG	n-[(e)-2-amino-1-(3-{[amino(imino)methyl]amino}propyl)-2-hydroxyvinyl]benzamide
+c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(c3[nH]c4cc(ccc4n3)C(=[NH2+])N)(O)O	BAH	bis(5-amidino-2-benzimidazolyl)methane ketone hydrate
+c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N	BAI	(5-amidino-2-benzimidazolyl)(2-benzimidazolyl)methane
+CC(C)(C)C1CCN(CC1)CCCn2c3c(c(n2)c4ccc(c(c4)CNCc5ccc(cc5)F)C(F)(F)F)CN(CC3)S(=O)(=O)C	BAJ	1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-n-[(4-fluorophenyl)methyl]methanamine
+c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=[NH2+])N	BAK	bis(5-amidino-2-benzimidazolyl)methane ketone
+C(CN)C(=O)O	BAL	beta-alanine
+c1ccc(cc1)C(=[NH2+])N	BAM	benzamidine
+C[C@@H](C(=O)NCC(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)C(Cc2ccccc2)C(=O)NO	BAN	honh-benzylmalonyl-l-alanylglycine-p-nitroanilide
+c1cc2c(cc1C(=N)N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=N)N	BAO	bis(5-amidino-2-benzimidazolyl)methanone
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O	BAP	1,2,3-trihydroxy-1,2,3,4-tetrahydrobenzo[a]pyrene
+C1CC(=O)NC1	BAQ	pyrrolidin-2-one
+C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O	BAR	8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid
+CC[C@H](c1ccccc1)NC=O	BAS	n-(1-phenyl-propyl)-formamide
+CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC	BAT	4-(n-hydroxyamino)-2r-isobutyl-2s-(2-thienylthiomethyl)succinyl-l-phenylalanine-n-methylamide
+c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO	BAU	1-((2-hydroxyethoxy)methyl)-5-benzylpyrimidine-2,4(1h,3h)-dione
+C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNCc2cccc(c2)C(C)C)O)C)C	BAV	(3s,14r,16s)-16-[(1r)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione
+CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccccc3F	BAW	4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{h}-pyrazol-5-yl]benzene-1,3-diol
+CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl	BAX	4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-n-methylpyridine-2-carboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)CS(=O)(=O)C(C)(C)C)O)O)NC(=O)[C@H](Cc5cccc6c5cccc6)CS(=O)(=O)C(C)(C)C	BAY	n-(1-benzyl-2,3-dihydroxy-4-{3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyrylamino}-5-phenyl-pentyl)-3-methyl-2-[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionylamino]-butyramide
+[H]/N=C(\c1ccc2c(c1)NC3=[N]2[Zn+2][N]4=C(C3)Nc5c4ccc(c5)C(=N)N)/N	BAZ	bis(5-amidino-benzimidazolyl)methane zinc
+CC(=O)c1ccc2cc(ccc2c1)N(C)C	BB0	1-[6-(dimethylamino)naphthalen-2-yl]ethanone
+CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C	BB1	2-[(formyl-hydroxy-amino)-methyl]-hexanoic acid (1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide
+CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO	BB2	actinonin
+CCc1c(c2ccc(cc2o1)S(=O)(=O)N(C)C)C(=O)c3cc(c(c(c3)Br)O)Br	BB3	3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid dimethylamide
+c1cc2c(cc1Br)c(c[nH]2)CC(=O)NO	BB4	2-(5-bromo-1h-indol-3-yl)-n-hydroxyacetamide
+C/C(=C(\C(=O)O)/N)/S	BB6	(2z)-2-amino-3-sulfanylbut-2-enoic acid
+COC/C(=C(\C(=O)O)/N)/S	BB7	(2z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid
+c1ccc(cc1)[C@@H]([C@@H](C(=O)O)N)O	BB8	(2s,3s)-beta-hydroxy-phenylalanine
+C(=C(\C(=O)O)/N)/S	BB9	(2z)-2-amino-3-sulfanylprop-2-enoic acid
+c1cc(ccc1C[C@@H]2CCCC[C@H](C2=O)Cc3ccc(cc3)C(=N)N)C(=N)N	BBA	2,7-bis-(4-amidinobenzylidene)-cycloheptan-1-one
+c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O	BBB	1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)-6-hydroxypyrimidine-2,4(1h,3h)-dione
+[H]/N=C(\CO)/C[S@@](=O)CCCCN	BBC	3-[(4-aminobutyl)sulfinyl]-2-iminopropan-1-ol
+Cc1cccc(c1)S(=O)(=O)N(C)C2=C(N(C(=O)NC2=O)Cc3ccccc3)N	BBE	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n,3-dimethylbenzenesulfonamide
+c1(c(c(c(c(c1F)F)Br)F)F)F	BBF	1-bromo-2,3,4,5,6-pentafluorobenzene
+COc1ccc(cc1)S(=O)(=O)[N@]2CN(C(=O)C[C@@H]2C(=O)NO)Cc3ccccc3	BBH	1-benzyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-hexahydro-pyrimidine-4-carboxylic acid hydroxyamide
+CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I	BBI	(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone
+c1cc(c(cc1N/C(=N\O)/c2c(non2)NCCNS(=O)(=O)N)Br)F	BBJ	n-(3-bromo-4-fluorophenyl)-n'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1O)CO)O)O	BBK	2-acetamido-2-deoxy-5-thio-alpha-d-galactopyranose
+C[C@@H](C(=O)O)NC(=O)OCc1ccccc1	BBL	n-[(benzyloxy)carbonyl]-l-alanine
+c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)Br)C(=O)NOC[C@H](CO)O	BBM	5-bromo-n-(2,3-dihydroxypropoxy)-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
+B1(c2ccccc2C=NN1C(=O)N)O	BBN	1-hydroxy-2,3,1-benzodiazaborinine-2(1h)-carboxamide
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCOCC4	BBO	2-[3-(morpholin-4-yl)propyl]-1h-benzo[de]isoquinoline-1,3(2h)-dione
+CC(C)(C)C1=NN(C(C1)O)c2nc3ccc(cc3s2)Cl	BBP	(5r)-3-tert-butyl-1-(6-chloro-1,3-benzothiazol-2-yl)-4,5-dihydro-1h-pyrazol-5-ol
+B12([C@H](CCO1)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)Oc5c6ccccc6ccn5)OCC(CO2)O	BBQ	cyclopentyl n-[(2s)-1-[(2s,4r)-2-[[(4r)-8-hydroxy-1,6,10-trioxa-5$l^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
+C(C(=O)CBr)OP(=O)(O)O	BBR	(3-bromo-2-oxo-propoxy)phosphonic acid
+CC(C)(C)c1ccc(cc1)S(=O)(=O)O	BBS	4-tert-butylbenzenesulfonic acid
+c1ccc(cc1)[C@]2(C(=O)NC(=NC2=O)O)N3CCC(CC3)CCO	BBT	2-hydroxy-5-[4-(2-hydroxy-ethyl)-piperidin-1-yl]-5-phenyl-1h-pyrimidine-4,6-dione
+CCCCBr	BBU	1-bromobutane
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O	BBV	benzyl 2-acetamido-2-deoxy-alpha-d-glucopyranoside
+Cc1ccc2c(c1)ncnc2N	BBW	7-methylquinazolin-4-amine
+CCBr	BBX	1-bromoethane
+Cn1c(cc(n1)N)c2cc3c(c(c2)Br)OCO3	BBY	5-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazol-3-amine
+CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)c4ccc5c(c4)nc([nH]5)c6ccc(cc6)N(C)C	BBZ	2'-(4-dimethylaminophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+c1ccc2c(c1)c3ccccc3c4c2ccc5c4C[C@@H]([C@@H]([C@H]5O)O)O	BC	benzo[g]chrysene
+CN1Cc2c(c3c(nc(nc3s2)SCc4ccc(cc4)Cl)NCC=C)C=C1	BC0	2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-n-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
+CN1c2ccccc2C(c3c1cccc3)(C#N)C(=O)NCCC(=O)O	BC1	3-{[(9-cyano-9,10-dihydro-10-methylacridin-9-yl)carbonyl]amino}propanoic acid
+C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)C)C)OC(=O)N)/C)C)OC)OC	BC2	macbecin
+c1cc(cnc1)Cc2c[nH]c3c2N=C(NC3=O)N	BC3	2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+C#CCCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2	BC4	(3as,4s,6ar)-4-(hex-5-yn-1-yl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one
+c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)N	BC5	4'-aminobiphenyl-4-sulfonamide
+C[C@H]1CC\C=C(\C(=O)Nc2cc(cc(c2)O)C[C@H](C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]1OC(=O)N)/C)C)O)OC)C)/C	BC6	(4e,8s,9r,10e,12s,13r,14s,16r)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate
+CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)N5CCCC5)C(F)(F)F)C1	BC7	2-[5-[5-ethanoyl-1-[(2~{r})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone
+C(CC(=O)O)[C@@H](C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O	BC8	beta-citryl-l-glutamic acid
+C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/CCC[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CC[C@H]2C(=O)O)/C#N)O)C)C	BC9	(1r,2r)-2-[(2s,6e,8r,9s,11r,13s,15s,16s)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)O)O	BCA	4-hydroxybenzoyl coenzyme a
+C\C=C/1\c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OC\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C	BCB	bacteriochlorophyll b
+c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)O)N	BCC	(3s,6s,8ar)-6-amino-6-benzyl-5-oxooctahydroindolizine-3-carboxylic acid
+C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O	BCD	beta-cyclodextrin
+C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)c2ccccc2)/O	BCE	(2z)-n-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide
+c1(c(c(c(c(c1F)F)Cl)F)F)F	BCF	1-chloro-2,3,4,5,6-pentafluorobenzene
+C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O	BCG	3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
+CCCC(=O)SCC[N+](C)(C)C	BCH	2-(butyrylsulfanyl)-n,n,n-trimethylethanaminium
+CC1CCN(CC1)CCSc2cc(ccc2C(F)(F)F)c3c4c(n(n3)C[C@H](CN5CCC(CC5)N6C[C@H](CC6=O)O)O)CCN(C4)S(=O)(=O)C	BCJ	(4~{s})-1-[1-[(2~{s})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one
+Cn1c(c(cn1)CO)c2ccccc2	BCK	(1-methyl-5-phenyl-1h-pyrazol-4-yl)methanol
+CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C	BCL	bacteriochlorophyll a
+C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C)CCO1)(C(=O)N2)O)O)O	BCM	bicyclomycin
+C(CO)N(CCO)CC(=O)O	BCN	bicine
+CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	BCO	butyryl coenzyme a
+c1[nH]c2c(n1)nc(nc2Cl)Br	BCP	2-bromo-6-chloro-purine
+CC1C(=C(NO1)C)CS(=O)(=O)C[C@@H](C(=O)N[C@@H](CCc2ccccc2)CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4	BCQ	n-[(1r)-1-[({[(5s)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide
+CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(CCCC2(C)C)C)\C)\C	BCR	beta-carotene
+c1ccc(cc1)CSC[C@@H](C(=O)O)N	BCS	benzylcysteine
+C(=O)(O)[O-]	BCT	bicarbonate ion
+c1ccc2c(c1)C[C@@H](CO2)CO	BCU	(3r)-3,4-dihydro-2h-chromen-3-ylmethanol
+C1CC1[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	BCV	d-(l-a-aminoadipoyl)-l-cysteinyl-d-cyclopropylglycine
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)NC(=O)C)O)CO)O)O)O	BCW	6-deoxy-alpha-l-galactopyranosyl-(1->4)-[6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->3)]-2-(ace  tylamino)-2-deoxy-alpha-d-glucopyranose
+C([C@H](CS)N)C(=O)O	BCX	(3r)-3-amino-4-sulfanylbutanoic acid
+C[C@@]1(CC[N@@]2CC[C@H](N2C1=O)C=O)N	BCY	carboxyamino[4.3.0]bicyclo1,6-diazanonan-2-one
+CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C	BCZ	3-(1-acetylamino-2-ethyl-butyl)-4-guanidino-2-hydroxy-cyclopentanecarboxylic acid
+c1cc(ccc1C[N@]2CCC(C2)(F)F)[C@H]3CCC[NH+]3C(=O)c4cc(c(cc4O)O)Cl	BD0	(1s,2r)-1-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-2-{4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl}pyrrolidinium
+C1C=CC[C@@H]2[C@H]1OC(O2)O	BD1	3a,4,7,7a-tetrahydro-benzo [1,3] dioxol-2-one
+c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)OC3CCCNCC3NC(=O)c4ccc(cc4)O)O	BD2	3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxybenzoyl)benzoate
+[H]/N=C/CNC(=O)[C@H](Cc1cccc(c1)c2nnc(o2)\C=N/[H])NC(=O)c3cc(nn3C)C(C)(C)C	BD3	nalpha-[(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)carbonyl]-n-[(2e)-2-iminoethyl]-3-{5-[(z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-l-phenylalaninamide
+Cc1ccc2c(c1)c3c(n2CCCN)cc(c4c3C(=O)NC4=O)C	BD4	6-(3-aminopropyl)-4,9-dimethylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@@H](Cc3ccc(cc3)O)NC(=O)OCc4ccccc4	BD5	n-[(benzyloxy)carbonyl]-d-tyrosyl-l-phenylalanyl-l-tyrosine
+CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)NO)C(=O)[C@H](Cc4cnc[nH]4)NC(=O)OCc5ccccc5	BD6	n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-n-hydroxy-l-tryptophanamide
+CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)NO)C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OCc4ccccc4	BD7	n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-n-hydroxy-l-tyrosinamide
+CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4	BD8	n-undecanoyl-l-histidyl-l-phenylalanyl-n-methyl-n-(2-pyridin-2-ylethyl)-l-tyrosinamide
+CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4	BD9	n-undecanoyl-l-histidyl-l-histidyl-n-methyl-n-(2-pyridin-2-ylethyl)-l-tyrosinamide
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)[NH2+]Cc6ccc(cc6)C[NH2+][C@H]7C[C@@H](O[C@H]([C@H]7O)C)O[C@H]8C[C@@](Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O)O	BDA	4-methylbenzyl-n-bis[daunomycin]
+B(c1ccc(cc1)c2ccc(cc2)B(O)O)(O)O	BDB	4,4'-biphenyldiboronic acid
+CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C	BDC	bis-(9-octylamino(2-dimethylaminoethyl)acridine-4-carboxamide
+C(CCCCCCBr)CCCCCO	BDD	bromo-dodecanol
+c1cc(cnc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br	BDE	n'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylene]nicotinohydrazide
+C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O	BDF	beta-d-fructopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N	BDG	2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose
+c1c([nH]cn1)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N	BDH	l-beta-aspartylhistidine
+CCCCc1[nH]c2c(n1)C(=O)NNC2=O	BDI	2-butyl-5,6-dihydro-1h-imidazo[4,5-d]pyridazine-4,7-dione
+[H]/N=C\1/NC(C(=O)N1Cc2cccc(c2)Cl)(C)C	BDJ	(2z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one
+CC(C)[C@@H](C(=O)C(C(=O)NCCN1CCOCC1)(F)F)NC(=O)CN2C(=NC=C(C2=O)N)c3cccs3	BDK	2-[5-amino-6-oxo-2-(2-thienyl)-1,6-dihydropyrimidin-1-yl)-n-[3,3-difluoro -1-isopropyl-2-oxo-3-(n-(2-morpholino ethyl)carbamoyl]propyl]acetamide
+CC(C)C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccccc2	BDL	n-(biphenyl-4-ylsulfonyl)-d-leucine
+COc1cc(cc(c1Br)OCCC[C@@H](CCC(=O)[O-])C(=O)[O-])Cc2c[nH+]c(nc2N)N	BDM	brodimoprim-4,6-dicarboxylate
+c1ccc(cc1)C(=N)N	BDN	benzamidine
+[H]/N=C\1/N[C@](C(=O)N1Cc2cccc(c2)Cl)(C)CC(C)C	BDO	(2z,5r)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one
+[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O	BDP	beta-d-glucopyranuronic acid
+[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)Nc3ccc(cc3)C#N)(C)CC(C)C	BDQ	1-(4-cyanophenyl)-3-(4-{[(2z,4r)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea
+C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O	BDR	beta-d-ribofuranose
+c1cc2c(cc1C[C@@H]([C@H](Cc3ccc4c(c3)OCO4)C(=O)O)C(=O)O)OCO2	BDS	2,3-bis-benzo[1,3]dioxol-5-ylmethyl-succinic acid
+C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C	BDT	5-beta-dihydrotestosterone
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc(cc2)c3ccccc3)O)O)(C(=O)O)OC)O	BDU	me-a-9-n-(biphenyl-4-carbonyl)-amino-9-deoxy-neu5ac
+[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)NCCCC)(C)CC(C)C	BDV	1-butyl-3-(4-{[(2z,4r)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea
+[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CN3C[C@@H](NC3=O)CCC)(CCC4CCCCC4)CC5CCCCC5	BDW	(4s)-1-(4-{[(2z,4r)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one
+[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)CC3CCCCC3	BDX	(2e,5r)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one
+c1cc(c(c(c1)Cl)CNc2c(ncc(n2)c3ccc(cc3)C(=O)N4CCC[C@@H]4CN5CCCC5)N)Cl	BDY	n~3~-(2,6-dichlorobenzyl)-5-(4-{[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)CO)O)NC(=O)C)O)O)O	BDZ	6-deoxy-alpha-l-galactopyranosyl-(1->3)-[6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->4)]-2-(ace  tylamino)-2-deoxy-beta-d-glucopyranose
+C1CCN(CC1)S(=O)(=O)N	BE0	piperidine-1-sulfonamide
+CC(=O)N(CCOP(=O)(O)O)Br	BE1	n-bromoacetyl-aminoethyl phosphate
+c1ccc(c(c1)C(=O)O)N	BE2	2-aminobenzoic acid
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cccc(c5)F)O)O)OCc6cccc(c6)F)O	BE3	n,n-[2,5-o-di-3-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol]
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5ccc(cc5F)F)O)O)OCc6ccc(cc6F)F)O	BE4	(2r,3r,4r,5r)-2,5-bis[(2,4-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1r,2s)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexan ediamide
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cccc(c5F)F)O)O)OCc6cccc(c6F)F)O	BE5	(2r,3r,4r,5r)-2,5-bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexan ediamide
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cc(ccc5F)F)O)O)OCc6cc(ccc6F)F)O	BE6	(2r,3r,4r,5r)-2,5-bis[(2,5-difluorobenzyl)oxy]-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]hexanediamide
+c1cc(ccc1C(=O)O)[Hg]Cl	BE7	(4-carboxyphenyl)(chloro)mercury
+B([C@H](CC1CCC1)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN(C)S(=O)(=O)C)C(C)(C)C)(O)O	BE8	[(1r)-2-cyclobutyl-1-({[(1r,2s,5s)-3-(n-{[(1s)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-l-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid
+c1ccc(cc1)O/C(=N\S(=O)(=O)N)/N2CCOCC2	BE9	phenyl n-sulfamoylmorpholine-4-carboximidoate
+Cc1cccc2c1n3cn[nH+]c3s2	BEA	5-methyl-1,2,4-triazolo[3,4-b]benzothiazole
+c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	BEB	n,n-[2,5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol]
+CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)OCc3ccccc3)O)O)OCc4ccccc4	BEC	[5-(2-hydroxy-indan-1-ylcarbamoyl)-3,4-dihydroxy-2,5-[dibenzyl-oxy]-pentanoyl]-valinyl-amido-methane
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5ccccc5F)O)O)OCc6ccccc6F)O	BED	n,n-[2,5-o-di-2-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol]
+CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCc1ccc(cc1)c2ccsc2)O)O)OCc3ccc(cc3)c4ccsc4	BEE	n,n-[2,5-o-[di-4-thiophen-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane]
+[Be-](F)(F)F	BEF	beryllium trifluoride ion
+c1ccc(cc1)CO[C@H](C[C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	BEG	2,5-dibenzyloxy-3-hydroxy-hexanedioic acid bis-[(2-hydroxy-indan-1-yl)-amide]
+c1ccc(cc1)CNC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)OCc5ccccc5	BEH	2,5-dibenzyloxy-3,4-dihydroxy-hexanedioic acid benzylamide (2-hydroxy-indan-1-yl)-amide
+CC[C@H](C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC)OCc1ccccc1)O)O)OCc2ccccc2	BEI	n,n-[2,5-o-[dibenzyl]-glucaryl]-di-[isoleucyl-amido-methane]
+CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCc1ccc(cc1)c2cccnc2)O)O)OCc3ccc(cc3)c4cccnc4	BEJ	n,n-[2,5-o-[di-4-pyridin-3-yl-benzyl]-glucaryl]-di-[valyl-amido-methane]
+COc1c(c(c(c(c1F)F)C(=O)N)F)F	BEK	2,3,5,6-tetrafluoro-4-methoxy-benzamide
+c1c(c(cc(c1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)C=O	BEL	2,4-dinitro,5-[bis(2-bromoethyl)amino]-n-(2',3'-dioxopropyl)benzamide
+[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O	BEM	beta-d-mannopyranuronic acid
+[H]/N=C(\c1ccccc1)/N	BEN	benzamidine
+CC=CC(=O)O	BEO	butenoic acid
+CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3	BEP	1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane
+CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]	BEQ	n-(carboxymethyl)-n,n-dimethyl-3-[(1-oxododecyl)amino]-1-propanaminium inner salt
+COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5	BER	berberine
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O	BES	2-(3-amino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoic acid
+C[N+](C)(C)CC(=O)O	BET	trimethyl glycine
+CC(=O)N[C@H]1[C@@H](C=C([C@H]([C@@H]1O)O)CO)N	BEU	n-[(1s,2r,5r,6r)-2-amino-5,6-dihydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide
+C1CS/C(=N\S(=O)(=O)N)/N1	BEV	n-[(2z)-1,3-thiazolidin-2-ylidene]sulfamide
+c1cc[n+](c(c1)S)O	BEW	1-hydroxy-2-sulfanylpyridinium
+COc1ccc(cc1OC)N[C@H](NS(=O)(=O)N)Oc2ccccc2	BEX	n-[(r)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfamide
+c1ccc(cc1)CC[C@@H](N)[P@@](=O)(C[C@@H](Cc2ccccc2)C(=O)O)O	BEY	(2s)-3-[(r)-[(1s)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
+c1ccc(cc1)C(=O)O	BEZ	benzoic acid
+COC(=O)CCC(=O)N[C@@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O	BF0	methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate
+[Be](F)F	BF2	beryllium difluoride
+c1cc(c(c(c1)Cl)F)CN2C(=O)c3ccc(c(c3C2=O)O)O	BF3	2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1h-isoindole-1,3(2h)-dione
+[Be-2](F)(F)(F)F	BF4	beryllium tetrafluoride ion
+C[C@H]1COC2=C3N1C=C(C(=C3CC(=C2N4CCN(CC4)N)F)O)C(=O)[O-]	BF5	(3s)-10-(4-aminopiperazin-1-yl)-9-fluoro-7-hydroxy-3-methyl-2,3-dihydro-8h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate
+c1ccc(cc1)C(=O)c2ccc(cc2)/C=C\3/C(=O)N(C(=N3)CN)CC(=O)O	BF6	[(4z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1cc(ccc1C[C@H](C(=O)O)N)Br	BF7	4-bromo-d-phenylalanine
+O1[Fe][S]2[Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni]51	BF8	fe(4)-ni(1)-s(5) cluster with oxygen
+C[C@@H]([C@@H](C1=N/C(=C\c2ccc(cc2)C(=O)c3ccccc3)/C(=O)N1CC(=O)O)N)O	BF9	[(4z)-2-[(1r,2s)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CN(C)CCNC(=O)c1cccc2c1nc3c(n2)cccc3Br	BFA	9-bromo-phenazine-1-carboxylic acid (2-dimethylamino-ethyl)-amide
+[H]/N=C(/C)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1	BFB	n-[(1s)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide
+CCCCCCCCCCC[C@H](CC=O)O	BFC	(r)-3-hydroxytetradecanal
+[Be-2](OC(=O)C[C@@H](C(=O)O)N)(F)(F)F	BFD	aspartate beryllium trifluoride
+c1ccc(cc1)C(=O)NCCS	BFE	n-(2-sulfanylethyl)benzamide
+c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br	BFF	3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide
+c1ccc(cc1)C(CC(=O)NCCS)c2ccccc2	BFG	3,3-diphenyl-n-(2-sulfanylethyl)propanamide
+c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O	BFH	1-(carboxymethyl)-1h-benzo[g]indole-2-carboxylic acid
+c1cc2c(cc1F)[C@@]3(CC(=O)NC3=O)C(=O)N(C2=O)Cc4ccc(cc4F)Br	BFI	2[4-bromo-2-fluorophenyl)methyl]-6-fluorospiro[isoquinoline-4-(1h),3'-pyrrolidine]-1,2',3,5'(2h)-tetrone
+Cc1cnc(nc1Nc2cccc(c2)CO)Nc3cc(cc(c3)S(=O)(=O)C)N4CCN(CC4)C	BFK	[3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol
+C[C@@H](c1ccc(cc1)c2ccccc2)C(=O)O	BFL	2-(1,1'-biphenyl-4-yl)propanoic acid
+C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O	BFM	3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(C(=O)O)O)F)O	BFN	5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid
+CC[C@H](C)[C@H](C=O)[C@H](C(=O)NCCC[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc2ccc3ccccc3c2)O	BFO	benzyl n-[(naphthalen-2-ylmethoxy)carbonyl]-l-alanyl-n~5~-[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]-l-ornithinate
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O	BFP	beta fructose 1,6-diphosphate
+CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O	BFQ	ibandronate
+[H]/N=C(\NCCCC)/N=C(N)N	BFR	n-butyl-n'-(diaminomethylidene)guanidine
+C[C@H](c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F	BFS	n-[1-(4-bromophenyl)ethyl]-5-fluoro salicylamide
+Cc1ncc(c(n1)N)CN(C=O)C(C)C(CCOP(=O)(O)O)SC(=O)c2ccccc2	BFT	s-benzoylthiamine o-monophosphate
+CCC(=O)c1ccc(c(c1O)[C@@H]2C[C@@H]2NC(=O)Nc3ccc(cn3)Br)F	BFU	1-(5-bromo-pyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)-cyclopropyl]-urea
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5cccc(c5)CNCc6ccccc6)Cl)C1	BFV	n-benzyl-1-{3-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
+c1cc(oc1)CNC2=CC=NC(=O)N2	BFW	4-n-furfurylcytosine
+c1ccc(c(c1)CN(C2CC2)C(=O)C3=C(CCNC3)c4ccc(cc4)CCCOc5cc(ccc5Br)F)Cl	BFX	4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-n-(2-chlorobenzyl)-n-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide
+CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Br	BFZ	7-bromo-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one
+COc1cc(cc(c1OC)Br)[C@@H]2c3ccc(c(c3OC(=C2C#N)N)N)N	BG0	(4r)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4h-1-benzopyran-3-carbonitrile
+CCC[C@@H](C(=O)OC[C@@H](C(=O)O)N)[N@](C)S(=O)(=O)NC	BG1	o-[(2s)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-l-serine
+C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)O	BG2	8-bromoguanosine
+C[C@@H]1C[C@@H](N[C@H]1C(=O)O)S(=O)(=O)O	BG3	3-methyl-5-sulfo-pyrrolidine-2-carboxylic acid
+C[C@@H]1C[C@H](N[C@H]1C(=O)O)[N@](C)O	BG4	5-(hydroxy-methyl-amino)-3-methyl-pyrrolidine-2-carboxylic acid
+C[C@@H]1C[C@H](N[C@H]1C(=O)O)NO	BG5	5-hydroxyamino-3-methyl-pyrrolidine-2-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	BG6	6-o-phosphono-beta-d-glucopyranose
+CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN(C)C)CCN(C3)C(=O)CC4CCNCC4)C	BG7	n-{[5-{1-[3-(dimethylamino)propyl]-5-[(piperidin-4-yl)acetyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]methyl}-3-methylbut-2-enamide
+c1ccc(cc1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O	BG8	2-(benzoylamino)-2-deoxy-beta-d-glucopyranose
+c1cc(c(cc1)/C=C/C(=O)O)/C=C/C(=O)O	BG9	(2e,2'e)-3,3'-(1,2-phenylene)di(prop-2-enoic acid)
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	BGC	beta-d-glucopyranose
+c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](Cc3ccc(cc3)C(F)(F)P(=O)(O)O)C(=O)N	BGD	n-benzoyl-l-glutamyl-[4-phosphono(difluoromethyl)]-l-phenylalanine-[4-phosphono(difluoro-methyl)]-l-phenylalanineamide
+Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4	BGE	4-(4-methyl-1~{h}-imidazol-5-yl)-~{n}-(4-morpholin-4-ylphenyl)pyridin-2-amine
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=[NH2+])N)C(=[NH2+])N	BGF	2,5-bis(4-guanylphenyl)furan
+c1ccc(cc1)COC(=O)O	BGG	carbonic acid monobenzyl ester
+CC(=O)N1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OC	BGH	[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCN(CC3)C4CC4)c5ccc(c(c5)C#Cc6ccc(cc6)CNCc7ccc(cc7)Cl)Cl)C1	BGJ	1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-n-[(4-chlorophenyl)methyl]methanamine
+c1cc2c(nc1)nc(s2)Oc3ccc(cc3)C=O	BGK	4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde
+CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	BGL	2-o-octyl-beta-d-glucopyranose
+C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Br)C(=O)NC(=N3)N)COP(=O)(O)O)O	BGM	8-bromo-2'-deoxyguanosine-5'-monophosphate
+CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	BGN	2-(butanoylamino)-2-deoxy-beta-d-glucopyranose
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)OP(=O)(O)O	BGO	3'-o-(n-methylanthraniloyl)guanosine-5'-diphosphate
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	BGP	6-o-phosphono-beta-d-galactopyranose
+C(CO)[C@H](C[O])O	BGQ	2-hydroxy butane-1,4-diol
+[BH3-]P(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O	BGR	[[(2r,3s,5r)-5-(2-azanyl-6-oxo-1h-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide
+CCS(=O)(=O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	BGS	(1s)-1,5-anhydro-1-(ethylsulfonyl)-d-glucitol
+CC(C)(C)OC(=O)[C@H](CCC(=O)N)N	BGT	tert-butyl d-alpha-glutaminate
+c1c2c(cc3c1[nH]c(n3)N)N=C(NC2=O)N	BGU	2,6-diamino-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2	BGV	(3ar,4s,4ar,7ar,8r,9as)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate
+c1ccc2c(c1)nc(s2)Oc3ccc(cc3)CN4CCC(CC4)C(=O)O	BGW	1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid
+C[C@@H]1C=CN[C@H]1C(=O)O	BGX	4-methyl-pyrroline-5-carboxylic acid
+CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)N2CCc3c(c(nn3CCCN4CCOCC4)c5ccc(c(c5)I)Cl)C2	BGY	tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
+CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@H](C)/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O	BGZ	[(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{s})-6-methyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate
+c1ccc(cc1)C[C@@H]2[C@@H](CN(N(C(=O)N2Cc3ccc(cc3)O)Cc4ccc(cc4)O)S(=O)(=O)c5cccc(c5)C#N)O	BH0	3-({5-benzyl-6-hydroxy-2,4-bis-(4-hydroxy-benzyl)-3-oxo-[1,2,4]-triazepane-1-sulfonyl)-benzonitrile
+CC[C@@H]\1[C@H](/C/2=C/c3c(c(c([nH]3)/C=C\4/[C@H]([C@@H](/C(=C\5/c6c(c(c([nH]6)/C=C1\N2)C)C(=O)[C@@H]5C(=O)OC)/N4)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C	BH1	bacteriopheophytin
+[C@H]([C@H](C(=O)O)O)(C(=O)O)N	BH2	(3r)-3-hydroxy-l-aspartic acid
+CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@@H](P(=O)(O)O)P(=O)(O)[O-]	BH3	hydrogen [(1r)-2-(3-pentadecyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
+C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O	BH4	(6r,1'r,2's)-5,6,7,8 tetrahydrobiopterin
+CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O)(O)O)P(=O)(O)[O-]	BH5	hydrogen [(1r)-1-hydroxy-2-(3-pentadecyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
+B(CNC(=O)c1ccccc1Cl)(O)O	BH6	{[(2-chlorobenzoyl)amino]methyl}boronic acid
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2	BH7	e-amino biotinyl caproic acid
+CCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)P(=O)(O)[O-]	BH8	hydrogen [(1s)-2-(3-decyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4c[nH]nc4	BH9	4-tert-butyl-n-[6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide
+c1cc(c(cc1N)O)C(=O)O	BHA	2-hydroxy-4-aminobenzoic acid
+CN(C)CCSCc1cc(cc2c1N=C(NC2=O)N)N	BHB	2,6-diamino-8-(2-dimethylaminoethylsulfanylmethyl)-3h-quinazolin-4-one
+c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	BHC	benzene hexacarboxylic acid
+[C@H]([C@@H](C(=O)O)O)(C(=O)O)N	BHD	(3s)-3-hydroxy-l-aspartic acid
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O	BHE	octyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-galactopyranoside
+c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2	BHF	2-phenyl-4h-benzo[h]chromen-4-one
+CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	BHG	hexyl beta-d-galactopyranoside
+CCCCNC(=N)NO	BHH	n-butyl-n'-hydroxyguanidine
+C[C@@](CCO[P@](=O)(O)OP(=O)(O)O)(CBr)O	BHI	4-bromo-3-hydroxy-3-methyl butyl diphosphate
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc6c(c5)CN[C@@H](C6)C(=O)N7CCCCC7)Cl)C1	BHJ	{(3s)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone
+c1ccc(cc1)C[C@H](CC(=O)CO)C(=O)O	BHK	(2r)-2-benzyl-5-hydroxy-4-oxopentanoic acid
+C(CCCBr)CCO	BHL	6-bromohexan-1-ol
+C[C@](CBr)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O	BHM	(r)-3-bromo-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
+c1ccc(c(c1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O)O	BHN	2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
+c1ccc(cc1)C(=O)NO	BHO	benzhydroxamic acid
+c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)Cc2ccc(cc2)OCc3ccccc3	BHP	(s)-5-(4-benzyloxy-phenyl)-4-(7-phenyl-heptanoylamino)-pentanoic acid
+CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O	BHQ	2,5-ditert-butylbenzene-1,4-diol
+c1ccc(c(c1)C[N@@](CC[N@](Cc2cccc(c2O)O)CC(=O)O)CC(=O)O)O	BHR	2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid
+C[C@H]([C@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O	BHS	6s-5,6,7,8-tetrahydrobiopterin
+c1cc(cc(c1)S(=O)(=O)O)Nc2ccc(cc2)C(=C3C=CC(=[NH+]c4ccc(cc4)S(=O)(=O)O)C=C3)c5ccc(cc5)Nc6cccc(c6)S(=O)(=O)O	BHT	n-[4-(bis{4-[(3-sulfophenyl)amino]phenyl}methylene)cyclohexa-2,5-dien-1-ylidene]-4-sulfobenzenaminium
+B(CNC(=O)[C@H](C)CS)(O)O	BHU	[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid
+CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN4CCOCC4)CCN(C3)C(=O)CC5CCN(CC5)C(=O)OC(C)(C)C)C	BHV	tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
+Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3C)OC(=O)C(=C4O)NC(=O)c5c[nH]c(c5C)C(=O)NC6=C(c7ccc(c(c7OC6=O)C)O[C@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)c9ccc([nH]9)C)O)O)O	BHW	coumermycin a1
+C(CC(=O)O)[C@H](C[P@](=O)(CCC(=O)O)O)C(=O)O	BHX	(2s)-2-{[(s)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid
+C[C@@H](CNS(=O)(=O)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C	BHY	n,n'-[biphenyl-4,4'-diyldi(2r)propane-2,1-diyl]dimethanesulfonamide
+c1ccc(cc1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O	BHZ	2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
+CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5	BI1	3-{1-[3-(dimethylamino)propyl]-1h-indol-3-yl}-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione
+C[N@@]1CCC[C@@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	BI2	3-(1h-indol-3-yl)-4-(1-{2-[(2s)-1-methylpyrrolidinyl]ethyl}-1h-indol-3-yl)-1h-pyrrole-2,5-dione
+c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN	BI3	3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1h-indol-3-yl)-1h-pyrrole-2,5-dione
+C[N@]1CCC[C@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	BI4	3-(1h-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1h-indol-3-yl}-1h-pyrrole-2,5-dione
+c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3	BI5	4-phenoxy-n-(pyridin-2-ylmethyl)benzamide
+CC[C@@H](C(=O)N[C@H]1C=CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)N=C	BI6	(3s,6s,7z,10as)-n-(diphenylmethyl)-6-{[(2s)-2-(methylideneamino)butanoyl]amino}-5-oxo-1,2,3,5,6,9,10,10a-octahydropyrrolo[1,2-a]azocine-3-carboxamide
+C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C1=O)c4cc(on4)c5ccc(s5)Cl	BI7	3-[(3~{a}~{s},4~{r},8~{a}~{s},8~{b}~{r})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{h}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
+Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN	BI8	3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione
+CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl	BI9	2-({5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}amino)-n-methylbenzamide
+c1cc(cc(c1)N2CCN(CC2)CCC(=O)c3cc(c(c(c3)O)O)[N+](=O)[O-])C(F)(F)F	BIA	1-(3,4,dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl) phenyl] piperazin-1-yl}propan-1-one
+C[C@@H](CN)C(=O)[O-]	BIB	beta-amino isobutyrate
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N	BIC	3-amino-3-benzyl-9-carboxamide[4.3.0]bicyclo-1,6-diazanonan-2-one
+C\C=C\C(=O)C[C@H]1CC[C@@H]([C@@H](O1)CC(=O)NC[C@@H]([C@H](C)C(=O)NCCC[C@@H]2[C@H](CC[C@@]3(O2)CCC[C@H](O3)CC[C@H](C)\C=C(/C)\[C@H](C)O)C)O)C	BID	bistramide a
+c1ccc(cc1)C(=O)c2ccc(c(c2[N+](=O)[O-])O)O	BIE	(3,4-dihydroxy-2-nitrophenyl)(phenyl)methanone
+c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)N	BIF	(r)-2-amino-3-(4-phenylcyclohexyl)propanoic acid
+CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	BIG	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol
+c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O	BIH	naphthalene-2,6-disulfonic acid
+CC(C)NS(=O)(=O)c1ccccc1Nc2c(cnc(n2)N=C3C=CC(C=C3OC)N4CC[C@H](C4)NC)Cl	BII	2-{[5-chloro-2-({(1e,4r)-2-methoxy-4-[(3r)-3-(methylamino)pyrrolidin-1-yl]cyclohexa-2,5-dien-1-ylidene}amino)pyrimidin-4-yl]amino}-n-(1-methylethyl)benzenesulfonamide
+CN1CCN(CC1)c2ccc(c(c2)OC)/N=C\3/N=CC(C(=N3)Nc4cccc5c4C(=O)N(C5)C)Cl	BIJ	7-{[(2z,5s)-5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]imino}-2,5-dihydropyrimidin-4-yl]amino}-2-methyl-2,3-dihydro-1h-isoindol-1-one
+c1cc(cc2c1cc(c(c2)C(=O)O)O)O	BIK	3,7-dihydroxy-2-naphthoic acid
+CC[C@H](C)[C@@H](CC(=O)O)N	BIL	(3r,4s)-3-amino-4-methylhexanoic acid
+CN(C)c1c2ccc(n1)CCCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cccc7)CCCC2)C(=O)NC5=O	BIM	bis-(indole)maleimide pyridinophane
+CC[n+]1c(c(c(c(c1C(=O)O)C(=O)O)c2ccccc2Cl)C(=O)OC(C)C)C	BIN	2,3-dicarboxy-4-(2-chloro-phenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridinium
+C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O	BIO	biopterin
+c1ccc(cc1)C[C@@H](CI)C(=O)O	BIP	2-benzyl-3-iodopropanoic acid
+CCCNC(=O)[C@@H]1Cc2ccc(cc2)Oc3cc(ccc3[N+](=O)[O-])C[C@@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)NC(=O)OCc4ccccc4	BIQ	benzyl [12-(2-amino-2-oxoethyl)-4-nitro-10,13-dioxo-15-[(propylamino)carbonyl]-2-oxa-11,14-diazatricyclo[15 .2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbamate
+C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)c2ccccc2)C[P@@](=O)([C@H](C)N)O	BIR	n-[3-[(1-aminoethyl)(hydroxy)phosphoryl]-2-(1,1'-biphenyl-4-ylmethyl)propanoyl]alanine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(CCCC(F)(F)P(=O)(O)O)(F)F)O)O)O)N	BIS	1,1,5,5-tetrafluorophosphopentylphosphonic acid adenylate ester
+Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O	BIT	(-)-1-phenyl-1,2,3,4-tetrahydro-4-hydroxypyrrolo[2,3-b]-7-methylquinolin-4-one
+C[C@@H](CCBr)[C@@H](C(=O)O)N	BIU	5-bromo-l-isoleucine
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2C(CCCC(C)(C)O)CCCC(C)(C)O	BIV	21-nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, 20-(4-hydroxy-4-methylpentyl)-, (1a,3b,5z,7e)
+c1cc2c(cc1C(=O)O)n(c(c2C3CCCCC3)c4ccoc4)CC(=O)N5CCC(CC5)C(=O)O	BIW	1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-furan-3-yl-1h-indole-6-carboxylic acid
+C(CC(=O)O)[C@H](C[P@](=O)(CC[C@@H](C(=O)O)N)O)C(=O)O	BIX	(2s)-2-{[(s)-[(3s)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid
+CC1([C@@H](NC=C(S1)C(=O)O)C(=O)O)C	BIY	(3s)-2,2-dimethyl-3,4-dihydro-2h-1,4-thiazine-3,6-dicarboxylic acid
+Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3C)C(=O)c4cc5cc(ccc5[nH]4)NC(=O)Nc6ccc7c(c6)cc([nH]7)C(=O)N8C[C@H](c9c8cc(c1c9c(c[nH]1)C)O)C	BIZ	bizelesin
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@@H]([C@H](CO)O)OS(=O)(=O)[O-])O)CO)O)O	BJ1	(1r,2s)-1-[(1s)-1,2-dihydroxyethyl]-3-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxypropyl sulfate
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O	BJ2	(2~{s})-1-[(2~{s})-2-[[(1~{s})-1-[(2~{s})-1-[(2~{s})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
+Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2	BJ4	8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
+CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN	BJ5	desferrioxamine b
+S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71	BJ8	double cubane cluster
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc3ccccc3)\N	BJA	(2s)-1-[(2r)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-n-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
+c1cc2c(cc1S(=O)(=O)n3c4ccc(cc4cc3CCCC(=O)O)Cl)scn2	BJB	4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid
+CC(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCC[C@@H](C3)C(C)(C)N4CCCCC4=O)O	BJC	(1r,3s)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethy l]cyclohexanecarboxamide
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1	BJD	n-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
+C1=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O	BJE	2,2'-anhydro-(1-beta-d-ribofuranosyl)uracil
+CC(C)Cc1c(n(c(n1)[C@H](CC(C)C)N)CC(=O)O)O	BJF	{2-[(1s)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1h-imidazol-1-yl}acetic acid
+Cc1ccc(cc1c2c(cc(n2C)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N)Cl	BJG	2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1h-pyrrole-3-carboxamide
+B([C@H](Cc1cccc(c1O)C(=O)O)NC(=O)C)(O)O	BJH	1(r)-1-acetamido-2-(3-carboxy-2-hydroxyphenyl)ethyl boronic acid
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)C)(O)O	BJI	1(r)-1-acetamido-2-(3-carboxyphenyl)ethyl boronic acid
+CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc(c(c4)CCc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1	BJJ	n-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine
+COc1ccc(cc1O)C[NH3+]	BJK	(4-methoxy-3-oxidanyl-phenyl)methylazanium
+CCOC(=O)[C@@H](CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)O	BJL	n-[(3r)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-tyrosine
+C1[C@@H]2C[C@@H]2N([C@@H]1C=N)C(=O)[C@H](C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)N	BJM	(2~{s})-2-azanyl-1-[(1~{s},3~{s},5~{s})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{r},7~{s})-3-oxidanyl-1-ad amantyl]ethanone
+c1cc(cnc1)CC[NH3+]	BJN	2-pyridin-3-ylethylazanium
+C1=CC(=O)C=CC1=CC2=N/C(=C(\CCC(=O)O)/N)/N(C2=O)CC(=O)O	BJO	(4z)-4-amino-4-{1-(carboxymethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,5-dihydro-2h-imidazol-2-ylidene}butanoic acid
+B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O	BJP	(1r)-2-phenylacetamido-2-(3-carboxyphenyl)ethyl boronic acid
+COC(=O)[C@H](Cc1ccccc1)[NH3+]	BJQ	[(2~{s})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium
+C[C@H]1COCCN1CCCn2c3c(c(n2)c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)CN(CC3)C(=O)C(=O)N	BJS	2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3s)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide
+COc1ccc(cc1CNCc2ccccc2)C#Cc3cc(ccc3Cl)c4c5c(n(n4)CCCN6CCOCC6)CCN(C5)S(=O)(=O)C	BJV	n-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine
+CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)CCCC(=O)O)NC(=O)OCc8ccccc8	BJW	4-[(2~{r},3~{a}~{r},5~{r},6~{r},6~{a}~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid
+CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3	BJX	repaglinide
+CS(=O)(=O)N1CCc2c(c(nn2C[C@H](CN3CCC(CC3)c4c[nH]c5c4c[n+](cc5)O)O)c6ccc(cc6)C(F)(F)F)C1	BJY	5-hydroxy-3-{1-[(2s)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1h-pyrrolo[3,2-c]pyridin-5-ium
+CN1C(=O)N(C(=O)[C@]12CN(C[C@H]2c3ccc(cc3)C#N)c4ccc(cn4)C(=O)O)c5cc(cc(c5)Cl)Cl	BJZ	6-[(5s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid
+CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N	BK1	1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)(C)n1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N	BK2	1-tert-butyl-3-naphthalen-2-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc2c(c1)cccc2Cc3c4c(ncnc4n(n3)CC5CCNCC5)N	BK3	3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N	BK4	3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N	BK5	3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N	BK6	3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N	BK7	3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2cc(ccc2c1)c3cc(cc4c3c([nH]n4)N)CN5CCNCC5	BK8	4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2h-indazol-3-amine
+CCOc1c2ccccc2ncn1	BK9	4-ethoxyquinazoline
+CCCCC(=O)CC(=O)O	BKA	3-oxoheptanoic acid
+C[C@@H](C/C=C/CC/C=C/C=C\C[C@H](/C(=C\C=C(/C)\C(=O)O)/C)OC)/C=C/C(=C\C(=O)O)/CC(=O)O	BKC	bongkrekic acid
+CC(=O)N1CCc2c(c(nn2CC3CC3)c4cccc5c4cc[nH]5)C1	BKD	1-[1-(cyclopropylmethyl)-3-(1h-indol-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
+COc1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccccc4	BKE	7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C[C@H]1[C@@H]2C[C@]([C@@H](C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O	BKF	(1s,2s,3s,5s,6s,16z,18z,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate
+c1cc(c(cc1S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)Cl)Cl	BKH	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Br	BKI	5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+CC(=O)N1CCc2c(c(nn2C3CCOCC3)c4cccc5c4cnc(c5)c6cnn(c6)C)C1	BKJ	1-{3-[3-(1-methyl-1h-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+c1cc(cc(c1)Cl)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	BKK	(2~{s},3~{r},4~{s},5~{r},6~{r})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+C[C@H]1[C@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)OC)(NC(=O)O2)O	BKL	(1r,2s,3s,5s,6s,16e,18e,20r,21s)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione
+CC/C(=C\C(=O)C[C@H](C)C[C@@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C)[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)O)O)/C=C	BKM	(2z)-2-[(1r)-3-{[(2r,3s,4r,7s,8s,11s,13r,16e)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
+CCOC(=O)CCCC(=O)C	BKN	ethyl 5-oxohexanoate
+c1ccc(cc1)/C=C/c2ccccc2OCCCC(=O)N3CC(CC3C(=O)N4CCSC4)O	BKO	1-[4-oxidanyl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-yl]-4-[2-[(~{e})-2-phenylethenyl]phenoxy]butan-1-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N	BKP	5'-o-[(s)-hydroxy{[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
+CCOC(=O)CCC(=O)C	BKQ	ethyl levulinate
+CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O	BKR	deacetyltaxol
+c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Cl	BKS	5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C[C@H]1[C@@H]2C[C@@]([C@H](/C=C/C=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CC(C)(C)SSC)C)C)OC)(NC(=O)O2)O	BKU	(1s,2s,3s,5r,6s,16e,18e,20s,21r)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name)
+c1ccc(cc1)c2cn(c3c2C(=O)NC=N3)c4ccc(cc4)Br	BKV	7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)O	BKW	2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@H]([C@@]4([C@@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O	BKX	(1s,2r,3r,5r,6r,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name)
+c1ccc(c(c1)C=C2C(=O)c3ccccc3C2=O)OCc4ccc(cc4)C(=O)O	BKY	4-({2-[(1,3-dioxo-1,3-dihydro-2h-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid
+CC(=O)CCc1ccc(cc1)O	BKZ	4-(4-hydroxyphenyl)butan-2-one
+CN(C)c1nnc(s1)CS(=O)(=O)N	BL0	1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide
+C[C@H]1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl	BL1	4-chloro-n-[(2s)-2-methyl-2,3-dihydro-1h-indol-1-yl]-3-sulfamoylbenzamide
+CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C	BL2	n-(tert-butoxycarbonyl)-l-leucine
+Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	BL3	3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+Cc1cccc2c1C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O	BL4	(3as)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one
+CCCC[C@@H](CNNC[C@H](CCCC)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc2ccccc2	BL5	2-{n'-[2-(5-amino-1-phenylcarbamoyl-pentylcarbamoyl)-hexyl]-hydrazinomethyl}-hexanoic acid(5-amino-1-phenylcarbamoyl-pentyl)-amide
+Cc1ccc2c(c1)N=C3[C@](C2=O)(CCN3c4ccccc4)O	BL6	(3as)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one
+c1ccc(cc1)N2CC[C@@]3(C2=Nc4ccccc4C3=O)O	BL7	(3as)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one
+Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C=C\3/C(=C(C(=N3)/C=C\4/[C@@H]([C@H](C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	BL8	3-[2-[(z)-[5-[(z)-[(3r,4r)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C=C)C)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	BLA	biliverdine ix alpha
+Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=[NH2+])N)O	BLB	bleomycin b2
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O	BLD	brassinolide
+B([C@H](CC(C)C)N)(O)O	BLE	leucine boronic acid
+c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)NCCN6CCOCC6)Cl	BLF	6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-n-[2-(morpholin-4-yl)ethyl]-1h-indole-2-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O	BLG	4-o-(4-o-sulfonyl-n-acetylglucosamininyl)-5-methylhydroxy-l-proline-taurine
+c1ccc(cc1)CS(=O)(=O)[N@]2C[C@@H]3CC[C@H](N3C(=O)C2)C(=O)NCC4CCN(CC4)C(=NO)N	BLI	4-oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [1-(n-hydroxycarbamimidoyl)-piperidin-4-ylmethyl]-amide
+C[As](=O)(CC[C@@H](C(=O)O)N)O	BLJ	(2s)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid
+CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	BLK	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2s)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
+c1ccc(cc1)CC[C@H]([C@H]([C@@H]([C@@H](CCc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	BLL	(2r,3r,4r,5r)-3,4-dihydroxy-n,n'-bis[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide
+Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O	BLM	bleomycin a2
+CC(C)C[C@@H](C(=O)N[C@@H](COCc1ccccc1)C#N)NC(=O)N2CCOCC2	BLN	morpholine-4-carboxylic acid [1s-(2-benzyloxy-1r-cyano-ethylcarbamoyl)-3-methyl-butyl]amide
+[H]/N=C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)O)N	BLO	1-(4-{[(3r)-3-amino-5-{[(z)-amino(imino)methyl](methyl)amino}pentanoyl]amino}-2,3,4-trideoxy-d-erythro-hex-2-enopyranuronosyl)-4-hydroxypyrimidin-2(1h)-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CNNC(=O)CNC(=O)c2ccccc2[N+](=O)[O-])O	BLP	(5-hydroxy-6-methyl-4-((2-(2-(2-nitrobenzamido)acetyl)hydrazinyl)methyl)pyridin-3-yl)methyl dihydrogen phosphate
+c1cc(ccc1C(=O)NCCC(=O)O)N/N=C/2\C=CC(=O)C(=C2)C(=O)O	BLQ	(3e)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid
+Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	BLR	3-[5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+[H]/N=C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N	BLS	blasticidin s
+C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O	BLT	1,4-dideoxy-1,4-[[2r,3r)-2,4-dihydroxy-3-(sulfoxy)butyl]episelenoniumylidene]-d-arabinitol inner salt
+Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C)\C=C/3\C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N3)C=C)C)C=C	BLV	biliverdin ix gamma chromophore
+B([C@H](CCCC[NH3+])N)(O)O	BLY	lysine boronic acid
+C[C@H](c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(c(c4)OC)OC	BLZ	5-[5,6-bis(methyloxy)-1h-benzimidazol-1-yl]-3-{[1-(2-chlorophenyl)ethyl]oxy}-2-thiophenecarboxamide
+CCCCn1cc[n+](c1)C	BM0	1-butyl-3-methyl-1h-imidazol-3-ium
+Cc1cccc(c1)[C@@]23c4ccccc4C(=O)N2CCS3	BM1	(r)-(+)9b-(3-methyl)phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bh)-one
+c1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3CNC(=O)CCCNC(=N)N	BM2	s-(r*,r*)]-4-[aminoiminomethyl)amino]-n-[[1-[3-hydroxy -2-[(2-naphthalenylsulfonyl)amino]-1-oxopropyl]-2-pyrrolidinyl] methyl]butanamide
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	BM3	2-acetamido-2-deoxy-alpha-d-mannopyranose
+CC[C@]1(CCCC[N@](C1)CCCCCCCCC[N@]2CCCC[C@](C2)(CC)c3cccc(c3)O)c4cccc(c4)O	BM4	3-[(3r)-3-ethyl-1-{9-[(3s)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol
+COC(=O)[C@@H]1CS[C@]2(N1C(=O)c3c2cccc3)c4ccccc4	BM5	(r)-(+) 5(9bh)-oxo-9b-phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-3-carboxylic acid methyl ester
+CC1(CCC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])(C)C)C	BM6	4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-[1,3]dioxolan-2-yl]-benzoic acid
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	BM7	2-acetamido-2-deoxy-beta-d-mannopyranose
+Cc1cc(ccc1N)c2nc3ccccc3s2	BM8	4-(1,3-benzothiazol-2-yl)-2-methyl-aniline
+[H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)NC[C@@H]2CCCN2C(=O)[C@H](CO)NS(=O)(=O)c3ccc4ccccc4c3	BM9	[s-(r*,r*)]-1-(aminoiminomethyl)-n-[[1-[n-[(2-naphthalenylsulfonyl)-l-seryl]-3-pyrrolidinyl]methyl]-3-piperidenecarboxa mide
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O	BMA	beta-d-mannopyranose
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCNCc5ccccc5)NC	BMB	(3s,6s,7r,9as)-7-[2-(benzylamino)ethyl]-n-(diphenylmethyl)-6-{[(2s)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide
+Cn1c(cc(n1)c2ccc3c(c2)OCO3)C(=O)O	BMC	3-(1,3-benzodioxol-5-yl)-1-methyl-1h-pyrazole-5-carboxylic acid
+CCCC(=O)N	BMD	butyramide
+C(CS)O	BME	beta-mercaptoethanol
+CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C	BMF	bromosporine
+C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cnc[n+]3C2)C(=O)[O-])[C@H](C=O)[C@@H](C)O	BMG	(4r,5s)-3-(6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-4-meth yl-4,5-dihydro-1h-pyrrole-2-carboxylate
+C[C@@H]1[C@@H](NC(=C1S[C@H]2Cn3cnc[n+]3C2)C(O)[O-])[C@@H]([C@@H](C)O)C(=O)O	BMH	5h-pyrazolo(1,2-a)(1,2,4)triazol-4-ium, 6-((2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-6,7-dihydro-, hydroxide, inner salt, (4r-(4alpha,5beta,6beta(r*)))-
+Cc1cc(cc2c1[nH]c(n2)C3=C(C=CNC3=O)NCc4ccccn4)n5ccnc5	BMI	3-[5-(1h-imidazol-1-yl)-7-methyl-1h-benzimidazol-2-yl]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1h)-one
+CC[C@@H](C)CCCCCCCCCCC(=O)O	BMJ	(12r)-12-methyltetradecanoic acid
+C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4	BMK	(5s,10r)-5-methyl-10,11-dihydro-5h-5,10-epiminodibenzo[a,d][7]annulene
+c1cc(ccc1O)Br	BML	4-bromophenol
+CBr	BMM	bromomethane
+COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	BMN	(1r)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-o-phosphono-d-erythro-pentitol
+c1ccc2c(c1)c(c3ccccc3n2)NCCCNCCCNc4c5ccccc5nc6c4cccc6	BMO	n-acridin-9-yl-n'-[3-(acridin-9-ylamino)propyl]propane-1,3-diamine
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O	BMP	6-hydroxyuridine-5'-phosphate
+C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	BMQ	1-(5'-phospho-beta-d-ribofuranosyl)barbituric acid
+COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	BMR	((2r,3s,5r)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate
+CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4cc5ccccc5nc4)C	BMS	4-[(4,4-dimethyl-1,2,3,4-tetrahydro-[1,2']binapthalenyl-7-carbonyl)-amino]-benzoic acid
+C/C=C/C[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O	BMT	4-methyl-4-[(e)-2-butenyl]-4,n-methyl-threonine
+CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl	BMU	1-(5-tert-butyl-2-methyl-2h-pyrazol-3-yl)-3-(4-chloro-phenyl)-urea
+c1ccc(cc1)C[C@@H]2CN(c3ccc(cc3C[N@]2S(=O)(=O)c4cccs4)C#N)Cc5c[nH]cn5	BMV	3-benzyl-1-(1h-imidazol-4-ylmethyl)-4-(thien-2-ylsulfonyl)-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile
+c1cc(cc(c1)O)c2c3c(nc(n2)N4CCOCC4)N(CC3)c5ccc6c(c5)nc[nH]6	BMW	3-[7-(1h-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl]phenol
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O	BMX	2-acetamido-2-deoxy-6-o-phosphono-alpha-d-mannopyranose
+c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O	BMZ	2-(2-hydroxy-phenyl)-1h-benzoimidazole-5-carboxamidine
+Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N	BN1	(s)-2-amino-3-[3-hydroxy-5-(2-methyl-2h-tetrazol-5-yl)isoxazol-4-yl]propionic acid
+c1ccc(c(c1)C(=O)NC(=O)Nc2cc(c(c(c2)Cl)OCCCCCCC(=O)O)Cl)Cl	BN2	7-[2,6-dichloro-4-({[(2-chlorobenzoyl)amino]carbonyl}amino)phenoxy]heptanoic acid
+c1cc(c(cc1OCCCC(=O)O)Cl)NC(=O)NC(=O)c2ccc(cc2Cl)Cl	BN3	4-[3-chloro-4-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)phenoxy]butanoic acid
+Cc1c(c(ccc1NC(=O)NC(=O)c2ccc(cc2Cl)Cl)OCCCC(=O)O)C	BN4	4-[4-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)-2,3-dimethylphenoxy]butanoic acid
+Cc1c(cccc1OCCCCC(=O)O)NC(=O)NC(=O)c2ccc(cc2Cl)Cl	BN5	5-[3-({[(2,4-dichlorobenzoyl)amino]carbonyl}amino)-2-methylphenoxy]pentanoic acid
+CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)O)O	BN6	(2s,8r,9s,15s)-15-cyclohexyl-9,12-bis(cyclopropylmethyl)-8-hydroxy-20-methyl-4,7,11,14,17-pentaoxo-2-phenyl-18-oxa-3,6,10,12,13,16-hexaazahenicosan-1-oic acid
+CC(C)COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2	BN7	2-methylpropyl 5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoate
+c1ccc2c(c1)cccc2CC(Cc3cccc4c3cccc4)C(=O)O	BNA	bis-(naphthyl-1-methyl) acetic acid
+Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)C(=O)N6CCN(CC6)C)C	BNB	n-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
+CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	BNC	5-beta-24-nor-cholane-3(alpha),7(alpha),12(alpha)-triol
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(C(=O)O)OC)O	BND	methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+CC[C@]1(CCCCN(C1=O)C)c2cccc(c2)Oc3cc(ccc3C#N)[C@@](C)(c4cncn4C)N	BNE	2-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-4-[1-amino-1-(1-methyl-1h-imidizol-5-yl)-ethyl]-benzonitrile
+c1ccc(cc1)CNC=O	BNF	n-benzylformamide
+CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	BNG	nonyl beta-d-glucopyranoside
+CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)O	BNH	[(n-{3-[(n-{cyclohexyl[(isobutoxycarbonyl)amino]acetyl}-3-cyclopropylalanyl)amino]-4-cyclopropyl-2-oxobutanoyl}glycyl)amino](phenyl)acetic acid
+c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-]	BNI	5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4-nitro-phenyl)-amide
+c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(=O)N3	BNJ	n-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
+c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=O)NC3CCCC3)Cl	BNK	2-chloro-n-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
+c1ccc(cc1)c2ccccc2	BNL	biphenyl
+c1c(cc(cc1NC(=O)C2CC2)S(=O)(=O)NC3CCCC3)C4=CSC(=O)N4	BNM	n-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
+[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C)/N	BNN	acetyl-p-amidinophenylalanine
+B([C@H](CCCC)N)(O)O	BNO	norleucine boronic acid
+c1ccc(cc1)COCCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3OCc4ccc5ccccc5c4	BNP	(3r,4r)-4-{4-[3-(benzyloxy)propoxy]phenyl}-3-(2-naphthylmethoxy)piperidine
+c1ccc(cc1)C(CC(=O)Nc2nc3ccccc3s2)c4ccccc4	BNQ	~{n}-(1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)O)[NH2+]Cc6ccc(cc6)C[NH2+][C@@H]7[C@@H](O[C@H](C[C@@H]7O)O[C@H]8C[C@@](Cc9c8c(c1c(c9O)C(=O)c2cccc(c2C1=O)OC)O)(C(=O)C)O)C	BNR	bis-daunorubicin
+c1ccc(cc1)S(=O)(=O)O	BNS	benzenesulfonic acid
+CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br	BNT	2,5-dibromo-3-isopropyl-6-methylbenzo-1,4-quinone
+CCN1C=C(C(=O)c2c1cc(c(c2)Br)N3CCNCC3)C(=O)O	BNU	6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
+CC[C@H](C)CCCCCCCCCCC(=O)O	BNV	(12s)-12-methyltetradecanoic acid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	BNW	udp-n-acetyl-muramic acid-4'phosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O)O	BNX	2-o-phosphono-beta-d-glucopyranose
+Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O	BNY	2-[(2-methyl-3-nitrophenyl)amino]benzoic acid
+c1ccccc1	BNZ	benzene
+C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1O2)O)O)CO	BO0	(1~{s},2~{s},3~{r},4~{r},6~{r})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol
+c1cc(ccc1N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)S(=O)(=O)N	BO1	n-(4-sulfamoylphenyl)-beta-d-glucopyranosylamine
+B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O	BO2	n-[(1r)-1-(dihydroxyboryl)-3-methylbutyl]-n-(pyrazin-2-ylcarbonyl)-l-phenylalaninamide
+B(O)(O)O	BO3	boric acid
+[B-](O)(O)(O)O	BO4	borate ion
+CN1CC/C=C/CCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O	BO5	(9e)-19-chloranyl-13-methyl-16,18-bis(oxidanyl)-13-azabicyclo[13.4.0]nonadeca-1(15),9,16,18-tetraene-3,14-dione
+C[n+]1ccc(cc1)/C=C/c2cc3c4c([nH]c3cc2)ccc(c4)/C=C/c5cc[n+](cc5)C	BO6	3,6-bis[(e)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9h-carbazole
+COc1cccc(c1C(=O)O)OC	BO7	2,6-dimethoxybenzoic acid
+[B-]([C@@H](C)NC(=O)CCCC[C@H](C(=O)O)N)(O)(O)O	BO8	(d-alpha-aminopimelylamino)-d-1-ethylboronic acid
+B([C@@H](C)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)(O)O	BO9	n1-[(1r)-1-(dihydroxyboryl)ethyl]-n2-[(tert-butoxycarbonyl)-d-gamma-glutamyl]-n6-[(benzyloxy)carbonyl-l-lysinamide
+c1[nH]c2c(n1)nc(nc2O)Br	BOA	2-bromo-6-hydroxy-purine
+CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O	BOB	(s)-2-amino-5-((r)-1-(carboxymethylamino)-3-((3s,4r)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
+CC(C)(C)OC(=O)O	BOC	tert-butyl hydrogen carbonate
+COc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N	BOD	5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOCc3ccccc3	BOE	2'-o-[2-(benzyloxy)ethyl] thymidine-5'-monophosphate
+Cc1ccc(cc1)n2c(nnc2c3ccc4c(c3)N([C@@H](C(=O)N4C)C)C5CC5)C	BOF	(3r)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4h-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1h)-one
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	BOG	octyl beta-d-glucopyranoside
+C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)O)C(=O)C)N	BOH	(2~{r})-2-azanyl-~{n}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide
+CN1/C(=N/OCc2ccc(cc2)Cl)/C=CN(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O	BOI	[[(2~{r},3~{s},4~{r},5~{r})-5-[(4~{e})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+CCCc1c(c(nc(n1)N)N)N2CCN(CC2)c3ccccc3	BOJ	5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine
+c1ccc(cc1)NC(=O)c2ccccc2I	BOL	2-iodo-n-phenylbenzamide
+CCC\C=C/C=C/CCCCCCCCCO	BOM	hexadeca-10,12-dien-1-ol
+B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NS(=O)(=O)N	BON	n-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide
+COc1ccc(cc1)Br	BOP	1-bromo-4-methoxybenzene
+CCOC(=O)c1cc(oc1CN)C(C)(C)C	BOQ	ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate
+B([C@H](CCCNC(=N)N)N)(O)O	BOR	(1r)-1-amino-4-{[(e)-amino(imino)methyl]amino}butylboronic acid
+c1ccc(c(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)N)S	BOS	n-[4-(aminosulfonyl)phenyl]-2-mercaptobenzamide
+c1ccc2c(c1)ncs2	BOT	benzothiazole
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)c2ccccc2c3ccccc3C(=O)O)C(=O)O)C	BOU	(2r,4s)-2-[(1r)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CCCCCCCCOS(=O)(=O)N	BOW	octyl sulfamate
+c1ccc(cc1)C(=O)O	BOX	benzoic acid
+Cc1ccc(cc1)[C@H](O)P(=O)(O)O	BOY	[(r)-hydroxy(4-methylphenyl)methyl]phosphonic acid
+c1cc2c(cc1C(N)N)NC3=[N]2[Zn+2][N]4=C(C3=O)Nc5c4ccc(c5)C(N)N	BOZ	bis(5-amidino-benzimidazolyl)methanone zinc
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O	BP	(-)-7s,8r,9r-trihydroxy-7,8,9,10-tetrahydro benzo[a]pyrene
+C(CSCCc1nnc(s1)N)c2nnc(s2)N	BP0	5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine)
+c1[nH]c2c(n1)ncnc2Br	BP1	6-bromo-7h-purine
+CC1([C@@H]2CC[C@]1([C@H](C2)O[P@](=O)([O-])OP(=O)([O-])[O-])C)C	BP2	(+)-bornyl diphosphate
+c1ccc(c(c1)c2cccc(c2O)O)Cl	BP3	2'-chloro-biphenyl-2,3-diol
+c1ccc(cc1)c2ccc(cc2)CC(=O)O	BP4	biphenyl-4-ylacetic acid
+c1ccnc(c1)c2ccc(cn2)C[C@@H](C(=O)O)N	BP5	3-(2,2'-bipyridin-5-yl)-l-alanine
+c1cc(c(c(c1)O)O)c2c(cccc2Cl)Cl	BP6	2',6'-dichloro-biphenyl-2,6-diol
+c1ccc(cc1)c2ccc(c(c2)O)O	BP7	1,1'-biphenyl-3,4-diol
+C(CCc1nnc(s1)N)CCc2nnc(s2)N	BP8	5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine)
+C(CCc1nnc(s1)N)Cc2nnc(s2)N	BP9	5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine)
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@@H]([C@H]4O)O)O	BPA	7s,8r,9r-trihydroxy-7,8,9,10-tetrahydro benzo[a]pyrene
+C/C=C\1/c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C	BPB	bacteriopheophytin b
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O	BPC	(7r,8r,9r)-7,8,9,10-tetrahydrobenzo[def]chrysene-7,8,9-triol
+c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C(=O)O)C(F)(F)F	BPD	n-(m-trifluoromethylphenyl) phenoxazine-4,6-dicarboxylic acid
+C(CN)CSC[C@@H](CO)N	BPE	(2s)-2-amino-3-[(3-aminopropyl)sulfanyl]propan-1-ol
+CC/[NH+]=C(\N)/c1ccc(cc1)c2oc(cc2)c3ccc(cc3)/C(=[NH+]/CC)/N	BPF	n,n'-(furan-2,5-diylbis{benzene-4,1-diyl[(z)-aminomethylylidene]})diethanaminium
+c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2	BPG	9-(4-hydroxybutyl)-n2-phenylguanine
+CCC1c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C	BPH	bacteriopheophytin a
+c1ccc2c(c1)ccc3c2c4c(cc3)[C@H]([C@@H]([C@@H](C4)O)O)O	BPI	(1s)-1,2,3,4-tetrahydro-benzo[c]phenanthrene-2,3,4-triol
+c1ccc2c(c1)ccc3c2c4c(cc3)[C@@H]([C@H]([C@H](C4)O)O)O	BPJ	(1r)-1,2,3,4-tetrahydro-benzo[c]phenanthrene-2,3,4-triol
+Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO	BPK	{3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol
+CNC(=O)Nc1c2ccccc2c3ccc4cccc5c4c3c1cc5	BPL	1-benzo[a]pyren-6-yl-3-methyl-urea
+c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP(=O)(O)O	BPM	4-phosphonooxy-phenyl-methyl-[4-phosphonooxy]benzen
+c1cc(ccc1CO)[N+](=O)[O-]	BPN	paranitrobenzyl alcohol
+[H]/N=C(\c1cccc(c1)C(=O)N[C@H](c2ccccc2)C(=O)N3CCC(CC3)C(=O)c4ccccc4)/N	BPO	3-[(z)-amino(imino)methyl]-n-[2-(4-benzoyl-1-piperidinyl)-2-oxo-1-phenylethyl]benzamide
+[H]/N=C(\c1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)Cc4ccccc4)/N	BPP	2-(4-benzylpiperidine-1-carbonyl)-1h-indole-5-carboximidamide
+CC(C)(C)OC(=O)NCc1c[nH]c2c1C(=O)NC(=N2)N	BPQ	tert-butyl [(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate
+B([C@@H]1CCCN1C(=O)[C@@H]2CCCN2)(O)O	BPR	(2r)-n-[(2r)-2-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-n-[(5r)-5-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-l-prolinamide
+c1ccc(cc1)c2ccccc2[S@](=O)O	BPS	1,1'-biphenyl-2-sulfinic acid
+C(CC[NH2][Pt]([NH3])([NH3])Cl)C[NH2][Pt]([NH3])([NH3])Cl	BPT	bis(trans-platinum ethylenediamine diamine chloro)complex
+c1cc2n(c1)-c3ccc(cc3NC2=O)Br	BPU	7-bromopyrrolo[1,2-a]quinoxalin-4(5h)-one
+C(C(=O)C(=O)O)Br	BPV	bromopyruvate
+c1cc(ccc1CCCN)Cl	BPW	3-(4-chlorophenyl)propan-1-amine
+c1ccc(cc1)C[C@H](CC(C[N+](=O)[O-])(O)O)C(=O)O	BPX	(2r)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid
+c1ccc(cc1)c2cccc(c2O)O	BPY	biphenyl-2,3-diol
+c1cc(ccc1C2(CCCCC2)c3ccc(cc3)O)O	BPZ	4,4'-cyclohexane-1,1-diyldiphenol
+Cc1ccc(c(c1)C)n2c(nc(n2)C(=O)N3CCN(CC3)C)c4ccc5c(c4)N([C@@H](C(=O)N5C)C)C6CCCC6	BQ0	(3r)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1h-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1h)-one
+CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O	BQ1	bedaquiline
+c1ccc2c(c1)CCN(C2)C(=O)CO	BQ2	1-(3,4-dihydro-1~{h}-isoquinolin-2-yl)-2-oxidanyl-ethanone
+CC(C)(C)OC(=O)N1CCc2ccc(cc2C1)N	BQ3	tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1h)-carboxylate
+c1cc(cc(c1)O)C(=O)/C=C(/C(=O)O)\O	BQ4	(2z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid
+c1ccc(cc1)n2c3c(c(n2)CN)CCC3	BQ5	(1-phenyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)methanamine
+Cc1cc2c(cc1F)OC[C@H](C2)NS(=O)(=O)c3cc(c([nH]3)C)C(=O)N4CC(C4)(C)C#N	BQ6	4-(3-cyano-3-methylazetidine-1-carbonyl)-n-[(3s)-7-fluoro-6-methyl-3,4-dihydro-2h-1-benzopyran-3-yl]-5-methyl-1h-pyrrole-2-sulfonamide
+c1ccc(cc1)[C@@H](C(C(=O)O)(F)F)N	BQ7	(3s)-3-amino-2,2-difluoro-3-phenylpropanoic acid
+[H]/N=C(/N)\N[C@H](C)C(=O)Nc1nc(c(s1)c2cc(cc(c2)O)O)C(=O)C	BQ8	(2~{r})-~{n}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
+CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCC/C=C/C/C=C/C/C=C/CC	BQ9	(2r)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5e,8e,11e)-tetradeca-5,8,11-trienoate
+c1ccc(c(c1)CN2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](CC4CC4)C(=O)O)C(F)(F)F	BQA	n-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-l-alanine
+c1cc(ccc1/N=N/c2cc(c(c(c2)I)O)C(=O)O)[N+](=O)[O-]	BQB	5-(4-nitrophenylazo)-3-iodosalicylic acid
+c1ccc(cc1)C2=NC(=O)C3=C(N2)CCN(C3)C(=O)c4ccc5c(c4)CS(=O)(=O)N5	BQC	5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4h)-carbonyl)-1,3-dihydro-2h-2lambda~6~,1-benzothiazole-2,2-dione
+CCC(=O)N1CC[C@H]([C@H]1C(=O)Nc2ccc3cc(ccc3c2)Br)O	BQD	(3r)-n-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-l-prolinamide
+CC(=O)C1=C(S/C(=N\C(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F)/N1)c4cc(cnc4)N	BQE	(~{n}~{z},2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{h}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide
+c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4ccc(cc4)C(=O)O)C(=O)O2	BQF	4-(5-oxo-1,5-dihydro-2h-[1]benzopyrano[3,4-c]pyridine-3(4h)-carbonyl)benzoic acid
+CC(=O)c1csc(n1)NC(=O)[C@@H]2CNCCN2	BQH	(2~{s})-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
+CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)C(=O)CN(C)C	BQJ	2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one
+CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc(cc(c3)O)O	BQK	(2~{r})-~{n}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OC[C@@H](C=O)N)O)O	BQL	[(2~{s})-2-azanyl-3-oxidanylidene-propyl] [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1cc(cc(c1)Sc2ccc(c(c2C(F)(F)F)C(F)(F)F)\C=C\C(=O)N3CCOCC3)N	BQM	3-({4-[(1e)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline
+c1ccc(c(c1)OCc2cccnc2)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)\C=C\C(=O)N4CCOCC4	BQN	4-{(2e)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine
+C[C@H]([C@@H](C=O)N)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O	BQO	[(2~{r},3~{s})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1cc(c(cc1c2c3c(n(n2)CCCO)CCN(C3)C(=O)CC4CCN(CC4)CC5CCCCC5)SCCN6CCC(CC6)F)C(F)(F)F	BQP	2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+CC(=O)c1c(sc(n1)NC(=O)[C@@H]2CNCCN2)c3cc(cnc3)N	BQQ	(2~{s})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide
+CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(c(c3)OC)OC	BQR	n~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-n-methylglycinamide
+CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(F)F)CN(CC2)C(=O)CC5CCN(CC5)CC6CCCCC6	BQS	2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
+C[C@H](C(=O)Nc1nc2c(s1)CCCC2=O)N	BQT	(2~{r})-2-azanyl-~{n}-(4-oxidanylidene-6,7-dihydro-5~{h}-1,3-benzothiazol-2-yl)propanamide
+c1ccc(cc1)OCc2nc(cs2)c3ccc(c(c3)CCC(=O)O)N	BQU	3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid
+CS(=O)(=O)NC(=O)c1cccc(c1)CSc2cccs2	BQV	n-(methylsulfonyl)-3-{[(thiophen-2-yl)sulfanyl]methyl}benzamide
+[H]/N=C(/N)\N[C@H](C)C(=O)NC1NC(CS1)C(=O)C	BQW	(2~{r})-2-carbamimidamido-~{n}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide
+c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)NCCCC[C@H]3C4C(CS3)NC(=O)N4)N	BQX	1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{s})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea
+COc1ccccc1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	BQY	2-methoxyphenyl beta-d-galactopyranoside
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O)O)O)O)O	BQZ	galactinol
+[Br-]	BR	bromide ion
+c1cc(c2c(c1C(=O)O)N[C@H]([C@@H]3[C@H]2C=CC3)C(=O)O)[N+](=O)[O-]	BR0	(3as,4r,9br)-9-nitro-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4,6-dicarboxylic acid
+c1ccc(cc1)CCCCCC[C@@H](c2ncc(o2)c3ccc(cn3)CBr)O	BR1	(1s)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol
+COC1=NN=C2C1=CC(C=N2)NC(=O)c3c(ccc(c3F)NS(=O)(=O)c4ccccc4)F	BR2	2,6-difluoro-n-[(5s)-3-methoxy-5h-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide
+Cc1ccc2c(c1)CC[C@H](O2)C[P@H](=O)[O-]	BR3	(6-methyl-3,4-dihydro-2h-chromen-2-yl)methylphosphinate
+c1ccc(cc1)CCCCCCC(=O)N[C@H](CCc2ccccc2)CCC(=O)O	BR4	6-phenyl-4(r)-(7-phenyl-heptanoylamino)-hexanoic acid
+CCOCC[P@H](=O)[O-]	BR5	2-ethoxyethylphosphinate
+[H]/N=C(/c1ccc(cc1)/C=N/c2ccc(cc2)Br)\N	BR6	(e)-4-((4-bromophenylimino)methyl)benzimidamide
+C[C@@]12C[C@]3(CC(C1)(CC(C2)(C3)Br)N)C	BR7	bromomemantine
+C1C(=O)NC(=O)NC1=O	BR8	barbituric acid
+c1c(cnc(c1N)N)Br	BR9	5-bromopyridine-2,3-diamine
+CN(C)c1ccc(cc1)Nc2c3ccc(cc3nc4c2ccc(c4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6	BRA	9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine
+c1cc(ccc1CO)Br	BRB	para-bromobenzyl alcohol
+C(CCCCCC(=O)O)CCCCCBr	BRC	12-bromododecanoic acid
+C1=CNC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	BRD	1-beta-ribofuranosyl-1,3-diazepinone
+Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4)F)C(=O)O	BRE	2-biphenyl-4-yl-6-fluoro-3-methyl-quinoline-4-carboxylic acid
+Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)O	BRF	6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methylquinoline-4-carboxylic acid
+c12c(nc([nH]1)Br)N=C(NC2=O)N	BRG	8-bromoguanine
+C(c1c(c(no1)O)Br)C(C(=O)O)N	BRH	(s)-2-amino-3-(4-bromo-3-hydroxy-isoxazol-5-yl)propionic acid
+C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC	BRI	(o4)-methyl-2-deoxyfucose
+C(CBr)O	BRJ	2-bromoethanol
+COc1ccc(cc1)C(=O)C2=C(N/C(=N/c3ccc(cc3)OC)/S2)N	BRK	{(2z)-4-amino-2-[(4-methoxyphenyl)imino]-2,3-dihydro-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone
+CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3	BRL	2,4-thiazolidiinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-(9cl)
+C(C(=O)O)Br	BRM	2-bromoacetyl group
+c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N	BRN	berenil
+[Br-]	BRO	bromo group
+C=C(CO)Br	BRP	2-bromo-2-propene-1-ol
+c1cc(cc(c1)Cl)Nc2[nH+]c(c(s2)C(=O)c3ccc(cc3)F)N	BRQ	{[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl](4-fluorophenyl)methanone
+CCCC[C@H](CN(C=O)O)C(=O)O	BRR	(2r)-2-{[formyl(hydroxy)amino]methyl}hexanoic acid
+C[C@H](c1ccc(cc1)Cl)c2cc(cc(c2O)[N+](=O)[O-])[N+](=O)[O-]	BRS	2-[1-(4-chloro-phenyl)-ethyl]-4,6-dinitro-phenol
+c1c(cncc1Br)C(=O)N	BRT	5-bromonicotinamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O	BRU	5-bromo-2'-deoxyuridine-5'-monophosphate
+c1(c(c(c(c(c1Br)N)Br)C(=O)O)Br)C(=O)O	BRV	5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid
+c1ccc2c(c1)/C(=N\O)/C(=C/3\c4ccc(cc4NC3=O)Br)/N2	BRW	6-bromoindirubin-3'-oxime
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-]	BRX	bromamphenicol
+c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)Br)/N2	BRY	(2z)-5'-bromo-2,3'-biindole-2',3(1h,1'h)-dione ammoniate
+CC(C)(C=C)C1=Cc2cc3c(cc2OC1=O)O[C@@H](C3)C(C)(C)O	BRZ	6-(1,1-dimethylallyl)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7h-furo[3,2-g]chromen-7-one
+c1ccc(cc1)OCc2nc(cs2)c3ccc4c(c3)CCC(=O)N4	BS0	6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1h-quinolin-2-one
+C[N+]1([C@H]2CC[C@@H]1CC(C2)OC3c4ccccc4CCc5c3cccc5)C	BS1	(3-exo)-3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yloxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
+c1ccc(cc1)C[NH+]2[C@@H]3CC[C@H]2CC(C3)OC4c5ccccc5CCc6c4cccc6	BS2	(3-endo,8-anti)-8-benzyl-3-(10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yloxy)-8-azoniabicyclo[3.2.1]octane
+[Bi+3]	BS3	bismuth(iii) ion
+c1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N	BS4	n-[(4-aminophenyl)sulfonyl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N	BS5	5'-deoxy-5'-[({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
+CN1CCN(CC1)c2cc3c4c(ccc(c4n2)NS(=O)(=O)c5ccccc5OC)N(C3=O)C	BS6	2-methoxy-n-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide
+c1cc2cccnc2c(c1)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	BS7	8-hydroxyquinoline beta-galactopyranoside
+c1cncc(c1c2ccnc3c2[nH]c(n3)N)F	BS8	7-(3-fluoranylpyridin-4-yl)-1~{h}-imidazo[4,5-b]pyridin-2-amine
+c1ccc(cc1)C(=O)NCCS(=O)(=O)O	BSA	2-(benzoylamino)ethanesulfonic acid
+c1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N	BSB	n-benzyl-4-sulfamoyl-benzamide
+CCCCS(=N)(=O)CC[C@@H](C(=O)O)N	BSC	(2s)-2-amino-4-(s-butylsulfonimidoyl)butanoic acid
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)[N@@](C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O	BSD	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+C([C@@H](CO)C(=O)O)N	BSE	beta-3-serine
+B(CNS(=O)(=O)Cc1ccccc1)(O)O	BSF	{[(benzylsulfonyl)amino]methyl}boronic acid
+B(CNS(=O)(=O)Cc1ccc(cc1)C(=O)O)(O)O	BSG	4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
+B([C@H](Cc1cccc(c1)C(=O)O)NS(=O)(=O)Cc2ccccc2)(O)O	BSH	3-[(2r)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)[N@@]3Cc4ccccc4C[C@@H]3C(=O)O	BSI	2-(biphenyl-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)/N=C\CSCCC(=O)NC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@@H]5[C@H](C[C@H]([C@@H]([C@H]5O)O)N)N)N)O)O)O	BSJ	(3r,9z)-17-[(2r,3s,4r,5r,6r)-5-amino-6-{[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2h-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	BSM	5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)-1h-pyrazole-3-carboxamide
+C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2	BSO	biotin-d-sulfoxide
+c1cc(c(cc1C2(c3c(c(c(c(c3Br)Br)Br)Br)C(=O)O2)c4ccc(c(c4)S(=O)(=O)[O-])O)S(=O)(=O)[O-])O	BSP	3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3h)-isobenzofuranylidene)bis [6-hydroxybenzenesulfonic acid]anion
+CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=C[C@@](NC2=O)(N)O)N)C(=N)N	BST	6-(4-amino-4-hydroxy-2-oxo-3,4-dihydro-2h-pyrimidin-1-yl)-3-[3-amino-5-(n-methyl-guanidino)-pent anoylamino]-3,6-dihydro-2h-pyran-2-carboxylic acid
+c1ccc(cc1)NC(=O)Nc2ccccc2	BSU	1,3-diphenylurea
+Cc1ccc(cc1C(=O)/C=C(/C(=O)O)\O)C2CC2	BSV	(2z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+c1c[nH]c2c1c(ccn2)c3ccncc3F	BSW	4-(3-fluoranylpyridin-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+c1ccc(c(c1)CCN)F	BSX	2-(2-fluorophenyl)ethanamine
+O[Se](=O)[O-]	BSY	biselenite ion
+COc1ccc(cc1Cl)S(=O)(=O)O	BSZ	3-chloro-4-methoxybenzenesulfonic acid
+CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC	BT0	2-methoxy-n-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide
+c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)C(=O)c5ccc(nc5)OCCN6CCCC6	BT1	{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-methanone
+c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)Cc5ccc(cc5)OCCN6CCCC6	BT2	3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene
+c1cc(ccc1Cc2c3ccc(cc3sc2c4ccc(nc4)OCCN5CCCC5)O)OCCN6CCCC6	BT3	3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophen-6-ol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N	BT5	biotinyl-5-amp
+c1ccc(cc1)S	BT6	benzenethiol
+CCC(CC)n1cc(cn1)[C@@H](C(F)F)O	BT7	(1s)-2,2-difluoro-1-[1-(pentan-3-yl)-1h-pyrazol-4-yl]ethan-1-ol
+CCOc1c2ccc(cc2on1)OCCC3CCN(CC3)c4ccc(nn4)C	BT8	3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole
+c1cc(cc(c1)Nc2ccc(cc2)C(F)(F)F)C(=O)O	BT9	3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid
+CCC[C@@H](C(=O)O)N	BTA	4-demethyl-leucine
+C(CO)N(CCO)C(CO)(CO)CO	BTB	2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
+C([C@@H](C(=O)O)N)S	BTC	cysteine
+c1cc(sc1C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O)Br	BTD	5-bromothienyldeoxyuridine
+c1cc(c2c(c1)nsn2)N	BTE	2,1,3-benzothiadiazol-4-amine
+CC1=CC=[N]2C(=C1)C3=CC(=CC=[N]3[Fe]2(C#N)(C#N)(C#N)C#N)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5	BTF	iron(ii) tetracyano-5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4'-methyl-[2,2']bipyridinyl-4-ylmethyl)-amide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccccc2c3cccc(c3)C(=O)O)CO)O)O	BTG	ortho-biphenyl-2'-carboxyl n-acetyl-beta-galactosaminoside
+CC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)c4cccs4	BTH	4-oxo-3-{6-[4-(quinoxalin-2-ylamino)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-pentanoic acid
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC=O)NC(=O)N2	BTI	5-(hexahydro-2-oxo-1h-thieno[3,4-d]imidazol-6-yl)pentanal
+C[C@@H](C(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(=O)NC(CCCCNC(=O)CCCC#C)C(=O)N)NC(=O)[C@H]([C@@H](Cc3ccc(cc3)OCc4ccccc4)N)O	BTJ	n-[(2-{2-[(n-{(2s,3r)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-l-alanyl)amino]ethoxy}ethoxy)acetyl]-4-benzoyl-l-phenylalanyl-n~6~-hex-5-ynoyllysinamide
+CCCC(=O)NCCCC[C@@H](C(=O)O)N	BTK	n~6~-butanoyl-l-lysine
+C[N+](C)(C)CC=O	BTL	betaine aldehyde
+CC[N+](CC)(CC)Cc1ccccc1	BTM	n-benzyl-n,n-diethylethanaminium
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2	BTN	biotin
+c1cc(cc(c1)[N+](=O)[O-])c2nc(on2)CCCC(=O)O	BTO	4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
+c1ccc(cc1)C[C@H](CS)C(=O)O	BTP	2-thiomethyl-3-phenylpropanoic acid
+C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2	BTQ	epi-biotin
+c1cc2c(cc1Br)[nH]cc2C[C@@H](C(=O)O)N	BTR	6-bromo-tryptophan
+c1ccc2c(c1)nc(s2)SCCCS(=O)(=O)O	BTS	3-(2-benzothiazolylthio)-1-propanesulfonic acid
+c1c(c(cc(c1O)O)O)O	BTT	benzene-1,2,4,5-tetrol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O)CO)O)O)O)O)O	BTU	3-o-alpha-d-glucopyranosyl-beta-d-fructofuranose
+c1cc(ccc1Cn2cc(nn2)CCCCC[C@H]3C4C(CS3)NC(=O)N4)C(=O)O	BTV	4-[(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)methyl]benzoic acid
+C[C@H]([C@@H](Cc1ccccc1)C(=O)O)S	BTW	(2s,3r)-2-benzyl-3-sulfanylbutanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OCCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N	BTX	((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl 5-((3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentyl hydrogen phosphate
+Cc1cc2n(n1)C(=NC(=O)N2)N	BTY	4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1h)-one
+[H]/N=C(\N)/NCCCCNC(=O)c1csc(n1)c2cscn2	BTZ	n-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide
+C[C@@H](c1ccccc1)NC(=O)c2cc3c([n+](c2N)Cc4ccccc4)NC5=CC=CC=[N]5C3=O	BU0	6-azanyl-2-oxidanylidene-n-[(1s)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide
+C(CCO)CO	BU1	1,4-butanediol
+C[C@@H](CCO)O	BU2	1,3-butanediol
+C[C@H]([C@@H](C)O)O	BU3	(r,r)-2,3-butanediol
+C[C@H](CCO)O	BU4	(3r)-butane-1,3-diol
+c1c[nH]c2c1c(ccn2)c3nc(cs3)CO	BU5	[2-(1~{h}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol
+c1cc(c(cc1Cl)S(=O)(=O)Nc2cnn(c2)C3CCNCC3)F	BU6	5-chloro-2-fluoro-n-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide
+CCCCN1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S	BU7	(5e)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+c1cc2c(nc1)nc([nH]2)N	BU8	1~{h}-imidazo[4,5-b]pyridin-2-amine
+C[C@H]([C@H](C)O)O	BU9	meso-2,3-butanediol
+CCCC(=O)O	BUA	butanoic acid
+B(CCCC)(O)O	BUB	1-butane boronic acid
+CCCCSSC[C@@H](C(=O)O)N	BUC	s,s-butylthiocysteine
+C[C@@H]([C@H](C)O)O	BUD	(2s,3s)-butane-2,3-diol
+CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C	BUE	nerylneryl pyrophosphate
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O	BUF	bufalin
+CC(C)(C)[C@@H](C(=O)O)N	BUG	3-methyl-l-valine
+C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2c(ccc(n2)NC(=O)c3c(cc(cn3)C(F)(F)F)Cl)F	BUH	~{n}-[6-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide
+CCCCCCCCCCCCCCNC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C	BUI	(3r)-3-{[(tetradecylamino)carbonyl]amino}-4-(trimethylammonio)butanoate
+CCCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C	BUJ	(3r)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](C1NC=CS1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)N[C@H](C)c2ccc(cc2)Br	BUK	n~2~-({[(1r)-1-(4-bromophenyl)ethyl]amino}carbonyl)asparaginyl-n~1~-{4-{[amino(imino)methyl]amino}-1-[2,3-dihydro-1,3-thiazol-2-yl(hydroxy)methyl]butyl}valinamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H](N[C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O	BUL	bulgecin a
+CC(C)(C)[C@@H](C(=O)NC)N	BUM	2-amino-n,3,3-trimethylbutanamide
+c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O	BUN	(2e)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
+CC(=O)C(=O)C	BUO	butane-2,3-dione
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)Br	BUP	5-bromouridine 5'-(tetrahydrogen triphosphate)
+CC(=O)CCO	BUQ	4-hydroxy-2-butanone
+CC(C)(C)c1ccccc1Oc2c(cccn2)NC(=O)Nc3ccc(cc3)OC(F)(F)F	BUR	1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
+CCCC	BUT	butyl group
+c1ccc(c(c1)COc2cc(ccc2O)C[C@@H](C(=O)O)N)[N+](=O)[O-]	BUU	(2~{s})-2-azanyl-3-[3-[(2-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid
+c1ccc(cc1)[C@H]2CCN([C@@H]2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	BUV	4-[[(2~{s},3~{r})-1-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid
+CCN(CC)[C@H](C)CN1c2ccccc2Sc3c1cccc3	BUW	r-ethopropazine
+c1cc(cc(c1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl	BUX	7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione
+c1ccc2c(c1)CCN([C@@H]2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	BUY	4-[[(1~{s})-2-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]benzoic acid
+CC1=CC=CN2C1=Nc3c(cc(c([n+]3C[C@H]4CCCO4)N)C(=O)NCc5cccnc5)C2=O	BV0	6-azanyl-11-methyl-2-oxidanylidene-7-[[(2r)-oxolan-2-yl]methyl]-n-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCN5CCN(CC5)CCCNC(=O)c6cc(cc(c6)O[C@@H]7[C@@H]([C@@H]([C@@H]([C@@H](O7)CO)O)O)O)[N+](=O)[O-]	BV1	[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino] -2-(3-{4-[3-(3-nitro-5-[galactopyranosyloxy]-benzoylamino)-propyl]-piperazin-1-yl} -propyl-amino)-3,4-dioxo-cyclobutene
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC(COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c5cc(cc(c5)O[C@@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)CO)O)O)O)[N+](=O)[O-])N	BV2	1,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propyl-amino]-carbonyloxy)-2-amino-propane
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCNC(=O)OCC(COC(=O)NCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N	BV3	1,3-bis-([[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobu tenyl]-amino-ethyl]-amino-carbonyloxy)-2-amino-propane
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)NCCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N	BV4	1,3-bis-([3-[3-[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobutenyl]-amino-propoxy-ethoxy-ethoxy]-propyl-]amino-carbonyloxy)-2-amino-propane
+c1ccc(c(c1)OC(F)(F)F)S(=O)(=O)NC(=O)CCC2CCNCC2	BV5	3-(4-piperidyl)-n-[2-(trifluoromethoxy)phenyl]sulfonyl-propanamide
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)CO)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	BV6	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol
+C1CNCCC1CCC(=O)O	BV7	3-(4-piperidyl)propanoic acid
+CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCC/N=C(/NCCC(=O)O)\S[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)NC(=O)OCc7ccccc7	BV8	3-[[(~{z})-~{c}-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{n}-[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid
+Cn1cc(cn1)c2cc(cnc2)c3ccc(cc3)C(=O)N	BV9	4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide
+c1ccc(cc1)C2=O[V](ON2)(O)(O)O	BVA	trihydroxy[(n-hydroxybenzamidato)oxo]vanadate
+c1cc(ccc1/C=C/c2cc(cc(c2)O)O)Br	BVB	5-[(e)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol
+c1cscc1CN	BVC	1-thien-3-ylmethanamine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)CO)O	BVD	5-bromovinyldeoxyuridine
+c1ccc(cc1)c2cc([n+](c(c2)c3ccccc3)CCc4ccc(cc4)S(=O)(=O)N)c5ccccc5	BVE	4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide
+Cc1ccnc(c1)N	BVF	4-methylpyridin-2-amine
+c1cnc([nH]1)CO	BVG	1h-imidazol-2-ylmethanol
+C=C[C@H]1CC[C@H]([C@@H](C1)O)O	BVH	(1r,2r,4s)-4-ethenylcyclohexane-1,2-diol
+Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5CC5	BVI	8-cyclopropyl-n-[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]quinazolin-2-amine
+COC(=O)Nc1ccc(cc1)NC(=O)[C@@H]2c3ccccc3CCN2C(=O)/C=C/c4c(ccc(c4F)Cl)n5cnnn5	BVJ	methyl ~{n}-[4-[[(1~{s})-2-[(~{e})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate
+c1cc(ccc1CC(=O)O)CN	BVK	2-[4-(aminomethyl)phenyl]ethanoic acid
+CC(=CCc1cc(c(cc1OC)O)C(=O)\C=C\c2ccc(cc2)O)C	BVL	(2e)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
+CCOC(=O)[C@H]1CCCN(C1)C(=O)c2cccc3c2CCN([C@@H]3C(=O)Nc4ccc(cc4)C(=O)O)C(=O)/C=C/c5cc(ccc5n6cnnn6)Cl	BVM	4-[[(1~{s})-2-[(~{e})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{s})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{h}-isoquinolin-1-yl]carbonylamino]benzoic acid
+CCN(CC)CCOC(=O)c1ccc(cc1)NCCC(=O)c2ccc(cc2)[N+](=O)[O-]	BVN	2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate
+c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cccc(c5)CO)F)C2=O	BVO	3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\C=C\Br)COP(=O)(O)O)O	BVP	(e)-5-(2-bromovinyl)-2'-deoxyuridine-5'-monophosphate
+CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N	BVQ	norpseudo-b12
+B(=O)(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O	BVR	[4-[[(2~{r},3~{s})-3-[[(3~{a}~{s},4~{r},6~{a}~{r})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron
+Cc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O	BVS	(2z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid
+CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)NCCC(=O)O)NC(=O)OCc8ccccc8	BVT	3-[[(2~{s},3~{a}~{r},5~{r},6~{r},6~{a}~{r})-5-[[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{s})-6-[[(2~{s})-3-(1~{h}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid
+c1ccc(c(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F)F	BVU	3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione
+c1cc(ccc1COc2ccc3c(n2)[nH]c(n3)c4ccc(cc4)C(=[NH2+])N)C(=[NH2+])N	BVV	amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3h-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium
+CCC\1=C(C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C	BVX	3-[2-[(~{z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+c1cc(cc(c1)F)Cn2cc(nn2)CCCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4	BVY	(3as,4s,6ar)-4-(5-{1-[(3-fluorophenyl)methyl]-1h-1,2,3-triazol-4-yl}pentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one
+[B-](c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)(O)O	BVZ	[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide
+CN1/C(=N/OCc2ccc(cc2)C(=O)OC)/C=CN(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O	BW0	[[(2~{r},3~{s},4~{r},5~{r})-5-[(4~{e})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cc(co4)CC5CC5)N	BW1	~{n}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)Nc2ccc3c(c2)C(=O)NC(=N3)N	BW2	n-(4-{[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)amino]sulfonyl}benzoyl)glutamic acid
+CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	BW3	(2~{s},3~{r},4~{s},5~{s},6~{r})-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
+Cc1c(nc(nc1N2CC3(C2)CCN(CC3)C(=O)OC)c4cc(ccc4Cl)OC[C@@H](CNC)O)c5c(noc5C)C	BW4	methyl 2-[2-{2-chloro-5-[(2r)-2-hydroxy-3-(methylamino)propoxy]phenyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
+C1C2CC3CC1CC(C2)(C3)C[C@@H](C(=O)O)N	BW5	(2~{s})-3-(1-adamantyl)-2-azanyl-propanoic acid
+C[C@@H]1C(=O)N(c2ccc(cc2N1C3CC3)c4ccc[nH]4)C	BW6	(3~{r})-4-cyclopropyl-1,3-dimethyl-6-(1~{h}-pyrrol-2-yl)-3~{h}-quinoxalin-2-one
+CC(C)n1c2c(cn1)c(cc(n2)c3cccc(c3)OC[C@@H](CN)O)N4CCOCC4	BW7	(2r)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol
+CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)F)SCC(=O)O	BW8	2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Cr]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C	BW9	chromium protoporphyrin ix
+c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)NCc4cccnc4	BWA	n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-n'-[(pyridin-3-yl)methyl]urea
+C1[C@H](C(C([C@H](O1)OC[C@@H](C(=O)O)N)O)O)O	BWB	(2~{s})-2-azanyl-3-[(2~{s},5~{r})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid
+Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)/C=C\3/c4cc(ccc4NC3=O)F	BWC	5-[(z)-(5-fluoranyl-2-oxidanylidene-1h-indol-3-ylidene)methyl]-2,4-dimethyl-n-(2-pyrrolidin-1-ylethyl)-1h-pyrrole-3-carboxamide
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br	BWD	2-amino-3-(5-bromo-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
+CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2cc(cs2)c3cc(cc(c3OC)F)C#N)NC(=O)C	BWE	(2~{r})-2-acetamido-~{n}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+C1C[C@H](N(C1)C(=O)O)/C(=C/C(=O)O)/O	BWF	(2s)-2-[(z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
+CC(=O)c1cnc(s1)N[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	BWG	n-{5-[(1r)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-d-mannopyranosylamine
+C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@@H](CC#N)C(=O)Nc3ccc(cc3)C(=O)Nc4ccc(c(c4OC)O)C(=O)Nc5ccc(c(c5OC)O)C(=O)O	BWH	albicidin
+Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5(CC5)C#N	BWI	1-(2-{[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile
+c1c(cc(cc1Cl)Cl)NC(P(=O)(O)O)P(=O)(O)O	BWJ	{[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)
+Cn1c([nH+]nn1)CC(=O)N[NH3+]	BWK	[2-(1-methyl-1,2,3,4-tetrazol-4-ium-5-yl)ethanoylamino]azanium
+CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)/C=C(/[C@@H]3CCCN3C(=O)O)\O	BWL	(2s)-2-[(z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
+Cc1nnc(n1c2ccccc2CNC(=O)C)C	BWM	n-{[2-(3,5-dimethyl-4h-1,2,4-triazol-4-yl)phenyl]methyl}acetamide
+CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(F)F)C(F)(F)F)C(=O)/C=C(\[C@@H]3CCCN3C(=O)O)/O	BWO	(2s)-2-[(e)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
+CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O	BWP	(2s)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol
+CC(C)C[C@H]1c2c(c3ccc(cc3[nH]2)OC4CCCC4)C[C@@H]5N1C(=O)[C@@H](NC5=O)CCC(=O)OC(C)(C)C	BWQ	~{tert}-butyl 3-[(2~{s},5~{s},8~{s})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
+c1cc(ccc1CNC(=O)c2csc3c2C(=O)NC=N3)CN4CCC(CC4)N	BWR	~{n}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{h}-thieno[2,3-d]pyrimidine-5-carboxamide
+C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	BWS	l-gamma-glutamyl-l-alanylglycine
+c1cc(ccc1c2n[nH]nn2)C(=O)N[NH3+]	BWT	[[4-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
+c1ccc(cc1)C2=C(C3=[N]4C(=C5C=CC6=C(C(=C7C=CC8=[N]7[Co]4(N56)n9c8ccc92)c1ccccc1)c1ccccc1)C=C3)c1ccccc1	BWU	tetraphenylporphycene contating cobalt
+[H]/N=C(/NCCCC)\NCCC[C@@H](C(=O)O)N	BWV	n~5~-(n-butylcarbamimidoyl)-l-ornithine
+c1cc(cc(c1)S(=O)(=O)Nc2ccc(c(c2)O)C(=O)O)c3cc(ccc3O)F	BWW	4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid
+C[C@@H](c1ccc(cc1)CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O	BWX	(2s)-2-[[(2s)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid
+CC(C)n1c(ncn1)c2cn3c(n2)-c4cc(ccc4OCC3)S(=O)C5CCN(CC5)C(C)(C)C	BWY	10-[(s)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1h-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
+c1cc(cc(c1)C(=O)N[NH3+])c2n[nH]nn2	BWZ	[[3-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]azanium
+COc1cc(cc(c1OC)OC)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N	BX1	1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid
+CCc1cc(cc(n1)CC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4	BX2	(5s)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4h-imidazol-4-one
+CC(=N)N1CCC(CC1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)O	BX3	(+)-2-[4-[(-1-acetimidoyl-4-piperidinyl)oxy]-3-(7-amidino-2-naphthyl)propionic acid
+c1cc(cc(c1)N)c2ccc(cc2)S(=O)(=O)N	BX4	3'-aminobiphenyl-4-sulfonamide
+C(Cc1n[nH]nn1)CC(=O)N[NH3+]	BX5	[4-(2~{h}-1,2,3,4-tetrazol-5-yl)butanoylamino]azanium
+B([C@H](Cc1ccccc1)NC(=O)[C@H](C)CS)(O)O	BX6	[(1r)-1-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]-2-phenyl-ethyl]boronic acid
+c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCNC(=O)c4cccs4)I	BX7	n-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide
+B([C@H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O	BX9	[(r)-(4-fluorophenyl)-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
+C(C(=O)O)Br	BXA	bromoacetic acid
+c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl	BXB	n-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
+C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O	BXC	(3r,7r,11r)-3,7,11,15-tetramethylhexadecyl alpha-d-ribopyranoside
+CCOC[C@H](C(F)(F)F)Oc1cc(cc(c1N)F)C[C@@H]2CS(=O)(=O)C[C@@H]([C@H]2O)NCc3cccc(c3)C(C)(C)C	BXD	(3s,4s,5r)-3-(4-amino-3-{[(2r)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+C(CC(=O)N[NH3+])c1n[nH]nn1	BXE	[3-(2~{h}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O	BXF	2-deoxy-2-fluoro-beta-d-xylopyranose
+COc1ccc2c(c1)c(ccn2)NC(=O)c3cc(ccc3Cl)[N+](=O)[O-]	BXG	2-chloro-n-(6-methoxyquinolin-4-yl)-5-nitrobenzamide
+CCOC(=O)Cc1n[nH]nn1	BXH	ethyl 2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoate
+CC(C)(Cn1c(c(cn1)Nc2ncc3cc(c(cc3n2)C4CCN(CC4)C5COC5)Cl)Cl)O	BXI	1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1h-pyrazol-1-yl]-2-methylpropan-2-ol
+Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4C=NC(=O)C(=N4)Nc5ccc(c(c5)N)C(=O)N6CCOCC6	BXJ	n-{3-[(2r)-6-{[3-amino-4-(morpholine-4-carbonyl)phenyl]amino}-5-oxo-2,5-dihydropyrazin-2-yl]-2-methylphenyl}-4-(piperidin-1-yl)benzamide
+CC(C)C[C@H](C(=O)O)NC(=O)O[C@@H](CCC(=O)O)C(=O)O	BXK	(2~{s})-2-[[(2~{r})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid
+c1ccc(cc1)NC(=O)C/C=C/CCCC(=O)Nc2ccccc2N	BXL	(3e)-n~8~-(2-aminophenyl)-n~1~-phenyloct-3-enediamide
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C	BXM	4-tert-butyl-n-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
+Cc1c(c(n(n1)C)C)N(C)S(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN4CCC[C@@H]4C3)Cl	BXN	4-[3-[(8~{a}~{r})-3,4,6,7,8,8~{a}-hexahydro-1~{h}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{n}-methyl-~{n}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
+CCC\C=N/O	BXO	(1z)-butanal oxime
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O	BXP	4-o-beta-d-xylopyranosyl-beta-d-xylopyranose
+CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)C[C@@H](C(F)(F)F)O	BXQ	(3s,4s,5r)-3-{4-amino-3-fluoro-5-[(2s)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2h-thiopyran-4-ol 1,1-dioxide
+c1cc(c(cc1Cl)CCN)n2cnnn2	BXR	2-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]ethanamine
+c1cc2c(cc1C(=O)/C=C(/C(=O)O)\O)OCCO2	BXS	(2z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid
+CCN(C)C(=O)OC[C@@H](C(=O)O)N	BXT	(2~{s})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid
+B([C@@H](c1ccc(cc1)F)NC(=O)[C@H](C)CS)(O)O	BXU	[(s)-(4-fluorophenyl)-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
+c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F	BXV	4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid
+c1cc2c(cc1C(=O)O)SCC(=O)N2	BXW	3-oxo-3,4-dihydro-2h-1,4-benzothiazine-7-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)O	BXX	beta-d-arabinofuranose
+C([C@@H]1[C@H]([C@@H]([C@H](O1)O)O)O)O	BXY	alpha-d-arabinofuranose
+c1cc2c(cc1O)onc2c3cc(c(cc3O)O)Br	BXZ	4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
+B([C@@H](Cc1coc2c1cccc2)NC(=O)[C@H](C)CS)(O)O	BY0	[(1s)-2-(1-benzofuran-3-yl)-1-[[(2s)-2-methyl-3-sulfanyl-propanoyl]amino]ethyl]boronic acid
+Cc1ccc(cc1)S(=O)(=O)/C=C/C#N	BY1	3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
+CCN(C)C(=O)Oc1ccc(c(c1)[C@@H](C)N(C)C)O	BY2	[3-[(1~{r})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{n}-ethyl-~{n}-methyl-carbamate
+Cc1cccc2c1[C@H](C(=O)N2)N	BY4	(3r)-3-azanyl-4-methyl-1,3-dihydroindol-2-one
+c1cc(c(c(c1F)/C=C(/C(=O)O)\S)F)F	BY5	(~{z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid
+Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNCCCCNCCCN)O	BY6	[(2s,3r,4r,5s,6s)-2-[(3r,4r,5r,6r)-2-[(1r,2s)-2-[[6-amino-2-[(1s)-3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2s,3r,4r)-5-[[(2r,3s)-1-[2-[4-[4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(3h-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)C(F)(F)F)CCCN(C)C	BY7	6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine
+Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O	BY8	(3~{r})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+c1ccc2c(c1)c3c4c(c5c6ccccc6n(c5c3[nH]2)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)NC4=O	BY9	12-beta-d-glucopyranosyl-12,13-dihydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6h)-dione
+c1ccc(cc1)C(=O)NCCC(=O)O	BYA	n-(phenylcarbonyl)-beta-alanine
+c1c(cnc2c1c(n[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F	BYB	(2~{s},3~{s})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{h}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O	BYC	benzoyl coenzyme a
+c1cc(ccc1C(=O)NO)C(=O)NO	BYD	n,n'-dihydroxybenzene-1,4-dicarboxamide
+C[C@@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F	BYE	1-(2-chlorophenyl)-6-[(2s)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+C1C=C(c2c(non2)[C@]1(SCCCCCCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	BYG	l-gamma-glutamyl-s-{(4r)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-l-cysteinylglycine
+CN1c2ccccc2N(C1=S)CCSc3[nH]c4ccccc4n3	BYH	1-[2-(1h-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2h-benzimidazole-2-thione
+Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC	BYJ	4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine
+C[NH+](C)C1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4	BYK	[(3~{r})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
+Cc1c(cnn1[C@@H]2CC2(F)F)Nc3ncc4cc(c(cc4n3)C5CCN(CC5)[C@@]6(COC[C@@H]6O)C)Cl	BYL	(3r,4r)-4-{4-[6-chloro-2-({1-[(1r)-2,2-difluorocyclopropyl]-5-methyl-1h-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol
+c1cc2c(cc1\C=C/3\C(=O)NC(=O)S3)OC(O2)(F)F	BYM	(5e)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylene]-1,3-thiazolidine-2,4-dione
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)O)(C)C	BYN	hydroxylated prenyl-fmn
+C[C@@H]1CCC[C@@H]2[C@H]1[C@@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4	BYO	(3~{s},4'~{r},4'~{a}~{s},6'~{r},8'~{a}~{s})-4',6'-dimethyl-5-phenyl-spiro[1~{h}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{h}-naphthalene]-2,4-dione
+CN(C)C[C@H](COc1ccc(cc1)Nc2ncc(c(n2)Nc3ccccc3)Br)O	BYP	(2r)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol
+c1cc(c(cc1C[C@@H](C(=O)O)N)Br)O	BYR	3-bromo-l-tyrosine
+c1ccc(cc1)C[C@@H]([C@H](Cc2ccc3c(c2)OCO3)C(=O)O)C(=O)O	BYS	2-benzo[1,3]dioxol-5-ylmethyl-3-benzyl-succinic acid
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2	BYT	biocytin
+Cc1cccc(c1Nc2cc(ncn2)c3cccnc3Nc4c(c(cc(c4Cl)OC)OC)Cl)NC(=O)C=C	BYU	n-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC	BYV	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile
+c1cc(ccc1CC(=O)NO)CC(=O)NO	BYX	2,2'-(1,4-phenylene)bis(n-hydroxyacetamide)
+C1[C@H]2[C@@H]([C@@H]([Se]1)CCCCC(=O)O)NC(=O)N2	BYY	5-[(3as,4s,6ar)-2-oxohexahydro-1h-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid
+c1c(cn[nH]1)Br	BYZ	4-bromo-1h-pyrazole
+c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N	BZ0	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide
+CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC	BZ1	(+)-4-ethylamino-3,4-dihydro-2-(methoxy)propyl-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
+c1ccc2c(c1)cc(o2)C(=O)O	BZ2	1-benzofuran-2-carboxylic acid
+COc1ccc2c(c1)cc[nH]2	BZ3	5-methoxy-1h-indole
+c1cc2c(cc1CN(Cc3nc(co3)C(=O)N)C(=O)c4coc(n4)CN(Cc5ccc6c(c5)OCO6)C(=O)c7coc(n7)CCl)OCO2	BZ4	n-[(2h-1,3-benzodioxol-5-yl)methyl]-2-({[(2h-1,3-benzodioxol-5-yl)methyl][2-(chloromethyl)-1,3-oxazole-4-carbonyl]amino}methyl)-n-[(4-carbamoyl-1,3-oxazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
+c1cc2c(ccs2)cc1C[C@H]3C(=O)[C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O	BZ5	(1r,2r,4s,5r)-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
+COc1ccc(cc1)c2c(cn(n2)c3ccccc3)Cn4ccnc4	BZ6	4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole
+CC(C)(C)NC(=O)C[C@@H](C(=O)NCCNC(=O)c1cccc(c1)c2ccccc2)NC(=O)CCc3ccccc3	BZ7	n~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-n~4~-tert-butyl-n~2~-(3-phenylpropanoyl)-l-aspartamide
+CCOc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl	BZ8	4-chloro-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl benzene-1,3-diol
+Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[nH]c6ccccc6n5	BZ9	n-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1h-benzimidazol-2-amine
+c1ccc2cc3c(ccc4c3C[C@@H]([C@@H]([C@H]4O)O)O)cc2c1	BZA	1r,2s,3r,4s-tetrahydro-benzo[a]anthracene-2,3,4-triol
+B(c1cc2ccccc2s1)(O)O	BZB	benzo[b]thiophene-2-boronic acid
+COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N	BZC	2-(3'-methoxyphenyl) benzimidazole-4-carboxamide
+c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	BZD	n-[(phenylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+c1ccc(cc1)c2nc(nc(n2)N)N	BZE	6-phenyl-1,3,5-triazine-2,4-diamine
+c1ccc2c(c1)cco2	BZF	benzofuran
+c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	BZG	6-(benzyloxy)-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purin-2-amine
+c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N	BZH	5-[(2-amino-1h-benzimidazol-6-yl)amino]-5-oxopentanoic acid
+c1ccc2c(c1)[nH]cn2	BZI	benzimidazole
+c1ccc2cc(c(cc2c1)C(=O)O)O	BZJ	3-hydroxynaphthalene-2-carboxylic acid
+CCC(=O)C[C@H](C[C@@H](C)C[C@@H](C(=O)O)N)O	BZK	(2s, 4s, 6s)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid
+c1ccc(cc1)COC(=O)c2ccccc2	BZM	benzoic acid phenylmethylester
+CC(C)CN(C[C@H]1CNC[C@@H]1COCc2ccccc2)S(=O)(=O)c3ccccc3	BZN	n-({(3r,4r)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-n-(2-methylpropyl)benzenesulfonamide
+c1ccc(cc1)COC=O	BZO	carbobenzoxy group
+C1CN(CCN1)C(=O)O	BZP	n1-carboxypiperazine
+c1ccc(cc1)C(=O)c2ccccc2	BZQ	diphenylmethanone
+c1ccc2cc3c(ccc4c3C[C@H]([C@H]([C@@H]4O)O)O)cc2c1	BZR	1s,2r,3s,4r-tetrahydro-benzo[a]anthracene-2,3,4-triol
+c1ccc(cc1)C[C@H](CC(=O)O)C(=O)O	BZS	l-benzylsuccinic acid
+c1cc(ccc1c2c(c3ccc(cc3s2)O)Cc4ccc(c(c4)Br)CN5CCCC5)OCCN6CCCC6	BZT	3-(3-bromo-4-pyrrolidin-1-ylmethyl-benzyl)-2-[4-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-6-ol
+CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOCC	BZU	(4r)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
+CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N	BZW	4-[(3~{s})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
+c1cc2c(cc1O)OCO2	BZX	1,3-benzodioxol-5-ol
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CCc2ccc(cc2)O)N)/N	BZY	(2r)-2-amino-n-{(2s)-1-[(4-carbamimidoylbenzyl)amino]-1-oxopropan-2-yl}-4-(4-hydroxyphenyl)butanamide
+c1ccc(cc1)CNN	BZZ	benzylhydrazine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	C	cytidine-5'-monophosphate
+Cc1cccc2c1C(=O)N(C2=O)c3cc(ccc3O)c4ccccc4	C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl-1h-isoindole-1,3(2h)-dione
+CCCc1cc2c(c(c1O[C@@H](c3ccc(cc3)C(C)C)C(=O)[O-])CCC)ON(C2=O)C	C01	(2s)-(4-isopropylphenyl)[(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-1,2-benzisoxazol-6-yl)oxy]acetate
+Cn1c2ccc(cc2nc1Cc3ccc(cc3)C(=N)N)NS(=O)(=O)c4ccccc4	C02	4-(5-benzenesulfonylamino-1-methyl-1h-benzoimidazol-2-ylmethyl)-benzamidine
+Cc1c(c2ccc(cc2n1Cc3cc(ccc3Cl)O[C@H](C)C(=O)O)OC(F)(F)F)c4c5ccc(cc5on4)OC	C03	(2r)-2-(4-chloro-3-{[3-(6-methoxy-1,2-benzisoxazol-3-yl)-2-methyl-6-(trifluoromethoxy)-1h-indol-1-yl]methyl}phenoxy)propanoic acid
+C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/c3csc(n3)N)SC1)C(=O)O	C04	(6r,7r)-7-({(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+C[C@H](C(=O)NCc1ccco1)Sc2nnnn2C3CCCC3	C05	(2~{r})-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-~{n}-(furan-2-ylmethyl)propanamide
+C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)OP(=O)(O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O	C06	[[(2s,3r,4s,5r)-5-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2s,3s,4s,5r,6r)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+Cc1ccc(cc1N2c3c(c(ncn3)N)C4=C(C2=O)CCCC4)O	C07	1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5h)-one
+[B-]1(n2c(ccc2CCCCCCCC)C=C3[N+]1=C(C=C3)CCCCC(=O)O)(F)F	C08	difluoro(5-{2-[(5-octyl-1h-pyrrol-2-yl-kappan)methylidene]-2h-pyrrol-5-yl-kappan}pentanoato)boron
+CCOCc1[nH]c2c3ccccc3nc(c2n1)N	C09	2-(ethoxymethyl)-1h-imidazo[4,5-c]quinolin-4-amine
+CNC(=O)[C@H](Cc1ccc(c(c1)Br)C(F)(F)P(=O)(O)O)NS(=O)(=O)C	C0A	3-bromo-4-[difluoro(phosphono)methyl]-n-methyl-nalpha-(methylsulfonyl)-l-phenylalaninamide
+CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)C)O	C0D	(2r)-2-hydroxy-3,3-dimethyl-n-[3-oxo-3-(pentylamino)propyl]butanamide
+c1cc(ccc1C(=O)C=CC(=C(C(=O)O)O)F)F	C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
+c1cnc(cc1C[C@@H](C(=O)N)N)C2=N[C@@H](CS2)C(=O)O	C0F	(4~{r})-2-[4-[(2~{s})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+CC(C)(C)[C@H](C(=O)NCCC(=O)NCc1ccc2c(c1)OCO2)O	C0G	(2r)-n-(3-{[(2h-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide
+c1ccc(c(c1)Nc2ncnc(n2)N)Cl	C0H	~{n}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
+c1ccnc(c1)CCNc2cccc(c2C#N)F	C0J	2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile
+CN(C(=O)CC[C@@H](c1ccc(c(c1)F)F)P(=O)(O)O)O	C0K	{(1s)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid
+C/C=C/C/C=C(\C)/[C@@H](CC/C(=C/C=C(\C)/C(=C1C(=O)C=C(OC1=O)[C@H](C)CC/C=C/NC(=O)OC)O)/C)O	C0L	methyl [(1e,5r)-5-{(3e)-3-[(2e,4e,8r,9e,12e)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d ihydro-2h-pyran-6-yl}hex-1-en-1-yl]carbamate
+c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)CN(CC4)C(=O)CCN5CCCCC5)C#N	C0M	n-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}1-naphthalenecarboxamide
+C(/C=C\[C@H](C(=O)O)N)[C@@H](C(=O)O)N	C0O	(~{z},2~{r},6~{s})-2,6-bis(azanyl)hept-3-enedioic acid
+c1c(c(cc(c1OCCN2CCOCC2)Cl)Cl)c3cc(nc(n3)N)Cl	C0P	4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
+CN1c2c(cc3cc2OCCOC[C@H]4CNCCN4c5ncc(c(n5)N3)Cl)CCC1=O	C0Q	anilinopyrimidine ligand
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O	C0R	corticosterone
+c1ccc(cc1)c2nc(on2)C3CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F	C0S	1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C#C/C=C\C#C[C@@]\3(CC(=O)C(=C2/C3=C\CSSSC)NC(=O)OC)O)O)O)NO	C0T	calicheamicin t0
+c1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O	C0V	(2z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid
+c1ccc2c(c1)c(cs2)/C=C(/C(=O)O)\S	C0W	(~{z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid
+CC(=CCC/C(=C/CC/C(=C/CO[C@@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C	C0X	(2s)-3-dimethoxyphosphoryloxy-2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid
+CC(C)(C)c1cc(ccc1O)C(=O)N2CCOCC2	C0Y	(3-tert-butyl-4-hydroxyphenyl)morpholin-4-yl-methanone
+CN(C)[C@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl	C0Z	6-chloro-n-[(3s)-1-[(1s)-1-dimethylamino-2,3-dihydro-1h-inden-5-yl]-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide
+CCCCCCCCCCOCCOCCOCCOCCOCCOCCO	C10	hexaethylene glycol monodecyl ether
+CCCCCCCCCCC[P@H](=O)OCCCC	C11	undecyl-phosphinic acid butyl ester
+C[C@H]([C@@H](c1nc(c(n1CC=O)[O-])Cc2ccc(cc2)O)N)O	C12	2-(1-amino-2-hydroxypropyl)-4-(4-hydroxybenzyl)-1-(2-oxoethyl)-1h-imidazol-5-olate
+c1ccc(cc1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl	C13	1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea
+CCCCCCCCCCCCCC	C14	tetradecane
+CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O	C15	n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate
+Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C#N	C16	4-(4-methyl-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)benzonitrile
+c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O	C17	7-[(3-chlorobenzyl)oxy]-2-oxo-2h-chromene-4-carbaldehyde
+CNCC1=CC(=O)Oc2c1ccc(c2)OCc3cccc(c3)Cl	C18	7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2h-chromen-2-one
+CC1=C(C(=O)N(C=C1)c2ccc3c(c2)NCC3(C)C)c4ccc5c(c4)cnc(n5)N	C19	3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1h)-one
+[H]/N=C(/N/C(=N\[H])/SCc1c(cc(c(c1)C)CS/C(=N/[H])/N/C(=N/[H])/N)C)\N	C1A	(2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(n-carbamimidoylcarbamimidothioate)
+[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3cc(cc(c3O)c4cc(ccc4O)CNC(=O)N)[C@@H](CC(=O)O)C(=O)O)\N	C1B	(2r)-2-[5-(5-carbamimidoyl-1h-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-ureidomethyl-biphenyl-3-yl]-succinic acid
+c1ccc2c(c1)ccc(c2c3c4ccccc4ccc3C(=O)O)C(=O)O	C1C	1,1'-binaphthalene-2,2'-dicarboxylic acid
+CC1C(CCC(N1)N)CNCCN2C(C(=NC=C2Cl)NCC(c3ccccn3)(F)F)O	C1D	1-(2-{[(6-amino-2-methylpyridin-3-yl)methyl]amino}ethyl)-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol
+c1ccc(cc1)C(=O)\C=C\C(=C(/C(=O)O)\O)\Cl	C1E	(2z,4e)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
+CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C	C1F	3-carboxy-4-methyl-5-propyl-2-furanpropionic
+C[C@H](c1ccsc1)NC(=O)C2(CCC2)C(=O)N[C@@H](CCCNC(=O)N)CN	C1G	n~1~-[(2s)-1-amino-5-(carbamoylamino)pentan-2-yl]-n'~1~-[(1r)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide
+c1cc(cc(c1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N)C(=O)OCCCCO[N+](=O)[O-]	C1H	4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate
+C[C@]12CC=C3C=C4[C@H]([C@@H]([C@H](C[C@]45CC[C@@]3([C@@H]1CC[C@@H]2c6ccc7ccncc7c6)O5)N(C)C)O)O	C1I	cortistatin a
+[H]/N=C(/NCCCCCCCC)\NCCC[C@@H](C(=O)O)N	C1J	n~5~-(n-octylcarbamimidoyl)-l-ornithine
+C1CCC(CC1)N[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	C1K	(1r,2s,3s,4r,5r)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol
+Cc1cc(cc2c1nc3c(c2CN4CCOCC4)c(n[nH]3)C)OC	C1L	6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1h-pyrazolo[3,4-b]quinoline
+c1cc(ccc1n2cnnn2)Cl	C1M	1-(4-chlorophenyl)-1h-tetrazole
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)CF)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	C1N	n-[(benzyloxy)carbonyl]leucyl-n~1~-[3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]leucinamide
+O=[Cu]	C1O	cu-o linkage
+CC(C)CC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)NC(=O)N3CCOCC3	C1P	n~2~-(morpholin-4-ylcarbonyl)-n-[(3s)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-l-leucinamide
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCc2ccccc2)O)O	C1Q	n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-10-phenyldecanamide
+C1CNCCC1CCCC=O	C1R	4-piperidinebutyrate
+C=CCSSC[C@@H](C(=O)O)N	C1S	3-(prop-2-en-1-yldisulfanyl)-l-alanine
+CC1=C(C(=O)[C@H]([C@@H](C1=O)O)SC[C@@H](C(=O)O)N)O	C1T	s-[(1s,6r)-3,6-dihydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-l-cysteine
+C[C@@H](CCC[C@H](CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O)O	C1U	2-[(~{e},6~{s},10~{s})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid
+c1ccc(c(c1)c2ccc(cc2)c3csc4c3C(=C(C(=O)N4)C#N)O)O	C1V	3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7h-thieno[2,3-b]pyridine-5-carbonitrile
+c1cc(ccc1Nc2c(cnc(n2)Nc3ccc(c(c3)Cl)C(=O)O)Cl)F	C1W	2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid
+C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/CS1)CC(=O)O)CCC(=O)O	C1X	(z)-n~6~-[(4r,5s)-5-(2-carboxyethyl)-4-(carboxymethyl)dihydro-2h-thiopyran-3(4h)-ylidene]-l-lysine
+CCC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	C1Y	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N	C1Z	guanosine 3'-diphosphate 5'-triphosphate
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)C)O)NC(=O)C	C20	acetyl-nh-val-cyclohexyl-ch2[nch2choh]ch2-benzyl-val-nh-acetyl
+c1cc(sc1)C(=O)O	C21	thiophene-2-carboxylic acid
+C([C@@H](C(=O)O)N)Cl	C22	3-chloro-l-alanine
+Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4	C23	1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one
+CCOC(=O)CCN(c1ccccn1)C(=O)c2ccc3c(c2)nc(n3C)CNc4ccc(cc4)C(=N)N	C24	3-({2-[(4-carbamimidoyl-phenylamino)-methyl]-3-methyl-3h-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid ethyl ester
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	C25	cytidine-5'-monophosphate
+CCCC[C@@H](CC)COS(=O)(=O)O	C26	(2r)-2-ethyl-1-hexanesulfonic acid
+C[C@]1(CC(=O)N(C(=N1)N)C)CCc2cccc(c2)c3cccc(c3)OC	C27	(6r)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one
+c1cc(ccc1[C@@H](C(F)(F)F)N[C@@H](CS(=O)(=O)N2CCOCC2)C(=O)NC3(CC3)CN)F	C28	n-[1-(aminomethyl)cyclopropyl]-3-(morpholin-4-ylsulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-l-alaninamide
+CN1CCOc2c1ccc(c2)C(=O)O	C29	4-methyl-3,4-dihydro-2h-1,4-benzoxazine-7-carboxylic acid
+c1cc(cc(c1)Cl)CN	C2A	1-(3-chlorophenyl)methanamine
+c1cc(ccc1CN)Cl	C2B	1-(4-chlorophenyl)methanamine
+Cl([Cu])[Cu]	C2C	cu-cl-cu linkage
+c1cc2c(cc1Cl)c(cs2)CNCCN3C(CN=C(C3O)NCCC4CCCCN4)Cl	C2D	6-chloro-1-(2-{[(5-chloro-1-benzothien-3-yl)methyl]amino}ethyl)-3-[(2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N	C2E	9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2h,7h-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6h-purin-6-one)
+C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	C2F	5-methyl-5,6,7,8-tetrahydrofolic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](CO)O)O)O	C2G	[cytidine-5'-phosphate] glycerylphosphoric acid ester
+C#C	C2H	acetylene
+c1nc2c(n1[C@H]3[C@H]([C@@H]4[C@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@H]5O)n6cnc7c6NC=NC7=O)O)O)NC=NC2=O	C2I	9-[(1r,6r,8r,9s,10r,15s,17r,18s)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3h-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3h-purin-6-one
+c1cc(ccc1c2ccc3c(c2)n[nH]c3NC(=O)C4CC4)O	C2J	n-[6-(4-hydroxyphenyl)-2h-indazol-3-yl]cyclopropanecarboxamide
+c1cc2c(cc1C[C@H](NC(=O)c3ccc(cc3OCCCCO2)C(F)(F)F)C(=O)NC4(CC4)CN)Cl	C2K	(3~{s})-~{n}-[1-(aminomethyl)cyclopropyl]-19-chloranyl-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide
+CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OCCOC)O	C2L	5-methyl-3'-o-methoxyethyl cytidine 5'-monophosphate
+Cc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl	C2M	5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
+C([C@H](C(=O)O)N)Cl	C2N	3-chloro-d-alanine
+O([Cu])[Cu]	C2O	cu-o-cu linkage
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O	C2P	cytidine-2'-monophosphate
+Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3[NH+](C)C)C(=O)O	C2Q	[(3~{r})-3-carboxy-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O	C2R	5-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)S)O	C2S	cytidine-5'-dithiophosphorate
+CC[N+](C)(C)NCCC(=O)O	C2T	3-(1-ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid
+c1c(cc(c(c1C(=O)O)O)Cl)Cl	C2U	3,5-dichloro-2-hydroxybenzoic acid
+CN(C)CCNC(=O)c1cccc(c1)c2cnc3n2nc(cc3)c4cccs4	C2V	n-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
+COc1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OCCCCO2)C(=O)NC4(CC4)C#N	C2W	(3~{s})-19-chloranyl-~{n}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide
+CO[C@@H]1[C@H]2[C@@H](CO[P@@](=O)(OCCCCCCONO[P@](=O)(O[C@@H]3[C@@H](CO[P@@](=O)(O[C@@H]4[C@@H](CO[P@@](=O)(O[C@H]5CN(C[C@@H]5CO[P@@](=O)(O2)O)Cc6c[nH]c7c6ncnc7N)O)O[C@H]([C@@H]4OC)n8cnc9c8NC(=NC9=O)N)O)O[C@H]([C@@H]3OC)n2cnc3c2ncnc3N)O)O)O[C@H]1n1cnc2c1NC(=NC2=O)N	C2X	9,9'-{(2r,3r,3ar,5s,7ar,9r,10r,10ar,12s,23r,25ar,27r,28r,28ar,30s,32ar,35ar,37s,39ar)-9-(6-amino-9h-purin-9-yl)-34-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2h,7h,25h-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6h-purin-6-one)
+COC(=O)c1c[nH]c2c1cccc2	C2Y	methyl 1h-indole-3-carboxylate
+c1cc(oc1c2cc(on2)O)P(=O)(O)O	C2Z	5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)C	C30	2-(acetylamino)-2-deoxy-1-o-[(s)-{[(r)-{[(2z,6z,10e,14e,18e)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCCN	C31	2'-o-3-aminopropyl cytidine-5'-monophosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O)O	C32	5-bromo-2'-deoxy-cytidine-5'-monophosphate
+CCC[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O	C33	2alpha-propyl-1alpha,25-dihydroxyvitamin d3
+CNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	C34	n4-methyl-2'-deoxy-cytidine-5'-monophosphate
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c2nc(n(n2)c3ccc(cc3)Cl)C	C35	n~2~-{[1-(4-chlorophenyl)-5-methyl-1h-1,2,4-triazol-3-yl]carbonyl}-n~5~-(diaminomethylidene)-l-ornithyl-l-leucyl-l-isoleucyl-4-fluoro-l-phenylalaninamide
+C1[C@@H]([C@H](O[C@H]1N2C[C@@](C(=NC2=O)N)(CO)F)COP(=O)(O)O)O	C36	5-methyl-5-fluoro-2'-deoxy-cytidine-5'-monophosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)COP(=O)(O)O)O	C37	5-fluoro-2'-deoxy-cytidine-5'-monophosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)COP(=O)(O)O)O	C38	5-iodo-2'-deoxy-cytidine-5'-monophosphate
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@H](CNC(=O)c1ccccc1OCCCOC)C(C)C)N)O	C39	n-[(2s,4s,5s,7r)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxooctyl]-2-(3-methoxypropoxy)benzamide
+C=CCOC(=O)N[C@H](CC[C@@H]1CCNC1)C(=O)c2nc(on2)Cc3ccc(cc3)C(=O)NC4Cc5ccccc5C4	C3A	allyl {(1s)-1-[(5-{4-[(2,3-dihydro-1h-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	C3B	4-amino-1-beta-d-glucopyranosylpyrimidin-2(1h)-one
+c1ccc(cc1)[C@H]2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCC5)O	C3D	(5r,6s)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
+c1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OC/C=C/CO2)C(=O)NC4(CC4)C#N	C3E	(3~{s},14~{e})-19-chloranyl-~{n}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCNC(=O)O	C3F	3-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propylcarbamic acid
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O	C3G	4-nitrophenyl beta-d-glucopyranosiduronic acid
+CCC[C@@](C)(CCO)SC[C@@H](C(=O)NCC(=O)O)N	C3H	2-[[(2~{r})-2-azanyl-3-[(3~{s})-3-methyl-1-oxidanyl-hexan-3-yl]sulfanyl-propanoyl]amino]ethanoic acid
+CNC(=O)c1c[nH]c2c1cc(cc2)N3CCCc4c3cc(c(c4)c5cnn(c5)C)C(F)F	C3J	5-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-n-methyl-1h-indole-3-carboxamide
+CCC(=O)NC[C@H]1CC[C@H]2C=C[C@H](N2C(=O)[C@H]1NC(=O)[C@H](C)NC)C(=O)NCc3ccccc3	C3K	(3~{s},6~{s},7~{r},9~{a}~{s})-6-[[(2~{s})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{n}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide
+C[C@@H](CCC[C@@H](CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O)O	C3L	2-[(~{e},6~{r},10~{s})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid
+c1ccc(cc1)C[C@@H]([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)O)N	C3M	n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide
+CCCO[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O	C3O	2alpha-propoxy-1alpha,25-dihydroxyvitamin d3
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O	C3P	cytidine-3'-monophosphate
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CCC34CC5CC(C3)CC(C5)C4	C3Q	n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide
+C[C@@H]\1CCC[C@@H]([C@H](OC(=O)[C@@H]([C@@H](/C=C1)O)O)/C(=C/[C@@H](C)C(=O)[C@H](C)[C@@H](CC(=O)O)OC)/C)C	C3R	carolacton
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C	C3S	cholest-5-en-3-yl hydrogen sulfate
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc3ccc(cc3)C(C)(C)C)CO)NC	C3T	(3~{s},6~{s},7~{s},9~{a}~{s})-~{n}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{s})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide
+Cn1cc(cn1)c2cc3c(cc2C(F)F)N(CCC3)c4ccc5c(c4)N(C(=O)S5)C	C3V	5-[7-(difluoromethyl)-6-(1-methyl-1h-pyrazol-4-yl)-3,4-dihydroquinolin-1(2h)-yl]-3-methyl-1,3-benzothiazol-2(3h)-one
+CN(Cc1ccc(cc1)F)C(=O)CC(=O)C(=O)O	C3W	4-[(4-fluorophenyl)methyl-methyl-amino]-2,4-bis(oxidanylidene)butanoic acid
+C1[C@@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O	C3X	(2r)-oxiran-2-ylmethyl beta-d-xylopyranoside
+C[C@](NO)(O)SC[C@@H](C(=O)O)N	C3Y	s-[(1s)-1-hydroxy-1-(hydroxyamino)ethyl]-l-cysteine
+c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5	C3Z	3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{h}-indazol-6-ol
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@@H](C)CNC(=O)c1ccccc1OCCCOC)N)O	C40	n-[(2r,4s,5s,7r)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl]-2-(3-methoxypropoxy)benzamide
+CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N	C41	aliskiren
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)N	C42	3'-amino-2'-deoxy-cytidine-5'-monophosphate
+COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	C43	2'-o-methyoxyethyl-cytidine-5'-monophosphate
+CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@H]4CCCc5c4cccc5)O	C44	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(1s)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
+CONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	C45	n4-methoxy-2'-deoxy-cytidine-5'-monophosphate
+C1CONC2=NC(=O)N(C=C21)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	C46	6h,8h-3,4-dihydropyrimido[4,5-c][1,2]oxazin-7-0ne(cytidine)-5'-monophosphate
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)(C)CC(=O)N1C[C@@H](Cc2c1cccc2)C(=O)OC)N)O	C47	methyl (3r)-1-[(5s,6s,8r)-5-amino-9-butylamino-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-3,4-dihydro-2h-quinoline-3-carboxylate
+CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc2ccccn2	C48	n1-(1-dimethylcarbamoyl-2-phenyl-ethyl)-2-oxo-n4-(2-pyridin-2-yl-ethyl)-succinamide
+[H]/N=C/1\[C@@](C(=S)N(C(=O)N1)C2C[C@@H]([C@H](O2)COP(=O)(O)O)O)(C)F	C49	4-thio,5-fluoro,5-methyl-2'-deoxy-cytidine-5'-monophosphate
+CCOC(=O)N[C@@H](CCCCN)C(=O)c1nc(on1)Cc2ccc(cc2)C(=O)NC3Cc4ccccc4C3	C4A	ethyl {(1s)-5-amino-1-[(5-{4-[(2,3-dihydro-1h-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]pentyl}carbamate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)O)O	C4B	1-beta-d-glucopyranosyl-1,3,5-triazinane-2,4,6-trione
+CN(C)CC[N@@](Cc1ccc(cc1)Cl)c2ccccn2	C4C	n-(4-chlorobenzyl)-n',n'-dimethyl-n-pyridin-2-ylethane-1,2-diamine
+CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(C)C)/C)/C)C	C4D	4,4'-diaponeurosporene
+c1ccc(cc1)Nc2c[nH]c3c2cccn3	C4E	n-phenyl-1h-pyrrolo[2,3-b]pyridin-3-amine
+COc1cccc(c1)Cc2c[nH]c3c2cccn3	C4F	3-(3-methoxybenzyl)-1h-pyrrolo[2,3-b]pyridine
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCCN	C4G	n~5~-[n-(3-aminopropyl)carbamimidoyl]-l-ornithine
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)CCS	C4H	n-[4-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)butyl]-3-sulfanylpropanamide
+CN1C=C(C(=O)N(C1=O)CC[C@@H](C(=O)O)N)[C@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)O)O)O	C4J	(5s)-5-{3-[(3s)-3-amino-3-carboxypropyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}-2,5-anhydro-1-o-phosphono-l-arabinitol
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc5c(c4)OCO5	C4K	~{n}-(1,3-benzodioxol-5-yl)-~{n}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{h}-indazole-5-carboxamide
+CCCC(=O)N[C@@H](CCO)C(=O)O	C4L	n-butanoyl-l-homoserine
+Cc1cc(c(c(c1S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)N)O)C)C)OC	C4M	n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccc(cc4)Cl	C4N	~{n}-[(4-chlorophenyl)methyl]-~{n}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{h}-indazole-5-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CSCc2ccccc2)C=O)NC(=O)N3CCOCC3	C4P	n-[(1r)-2-(benzylsulfanyl)-1-formylethyl]-n-(morpholin-4-ylcarbonyl)-l-phenylalaninamide
+c1ccc2c(c1)c(ccn2)CN3CCNCCNCCNCC3	C4Q	4-(1,4,7,10-tetraazacyclododecan-1-ylmethyl)quinoline
+C1C[C@@H]2C3[C@H]1C4=C2[Rh+]4[S@H]3C[C@@H](C(=O)O)N	C4R	(r)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium
+C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	C4S	2'-deoxy-4'-thiocytidine 5'-(dihydrogen phosphate)
+CN(Cc1ccc(cc1)Cl)C(=O)c2cc3c(cc2O)[nH]nc3Cc4ccccc4	C4T	~{n}-[(4-chlorophenyl)methyl]-~{n}-methyl-6-oxidanyl-3-(phenylmethyl)-1~{h}-indazole-5-carboxamide
+Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)CC(C)C)[C@H]3C[C@H]3C(=O)O	C4V	(1r,2s)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N=[N+]=[N-])CO)O)O	C4W	1-azido-beta-n-acetyl-d-glucosamine
+C1[C@H](O1)CCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O	C4X	3,4-epoxybutyl-beta-d-xyloside
+c1ccc(cc1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N	C4Y	1-(4-aminobenzyl)-3-{2-oxo-2-[(2r)-2-phenylpyrrolidin-1-yl]ethyl}urea
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H](CC4CCCCC4)C(=O)O)O)O)O)O	C4Z	(2~{r})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[(1~{r},2~{r})-2-[(2~{s},3~{s},4~{r},5~{s},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid
+CC1(N=C(N=C(N1OCCCOc2cccc(c2Cl)Cl)N)N)C	C50	1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
+C[C@H](C1CCC(CC1)c2ccnc3c2cccc3)C(=O)Nc4ccc(cc4)C#N	C51	(2r)-n-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide
+CC1=C(C(=O)N(C=C1)c2cccc(c2)C(F)(F)F)c3ccc4c(c3)cnc(n4)N	C52	3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1h)-one
+[H]/N=C\1/NC(=O)/C(=C\c2ccccn2)/S1	C53	2-imino-5-(1-pyridin-2-yl-meth-(e)-ylidene)-1,3-thiazolidin-4-one
+C1C[C@H](C=C1)C(=O)O	C54	(1r)-cyclopent-2-ene-1-carboxylic acid
+CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-]	C56	4-(dimethylamino)-n-{[(2r)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide
+CCN1CCC[C@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-]	C57	4-(dimethylamino)-n-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-2-methoxy-5-nitrobenzamide
+c1ccc(cc1)C[C@@H](CNc2c3c4c(sc3nc(n2)c5ccncc5)CCCC4)N	C58	(2s)-3-phenyl-n~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine
+C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N	C5A	(1s,3s)-1-aminocyclopentane-1,3-dicarboxylic acid
+C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N	C5B	(1s,3r)-1-aminocyclopentane-1,3-dicarboxylic acid
+C1CCC(C1)SSC[C@@H](C(=O)O)N	C5C	s-cyclopentyl thiocysteine
+CC1([C@@H](CC[C@]1(C)CCC#CC(C(F)(F)F)(C(F)(F)F)O)\C=C\C=C2C[C@H](C[C@@H](C2)O)O)C	C5D	(1r,3r)-5-[(2e)-3-{(1s,3r)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol
+C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2	C5E	(1r,5s)-1,2,3,4,5,6-hexahydro-8h-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
+CC(C)(C(=O)O)Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl	C5F	2-{4-[(1s)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	C5G	[cytidine-5'-phosphate]-beta-glucosyl-phosphoric acid ester
+C1CCC(CC1)C[C@@H](C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3CCCC[C@H]3O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)CO)O	C5H	(2~{s})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{r},2~{r})-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid
+c1c[nH]c2c1c3c(cn2)nnn3[C@@H]4CCCN(C4)C(=O)CC#N	C5I	3-oxo-3-[(3r)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6h)-yl)piperidin-1-yl]propanenitrile
+C(=O)(N)NC(=O)N	C5J	dicarbonimidic diamide
+C[C@H]1CCC[C@H]([C@@H]1O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C(F)(F)F)O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](CC4CCCCC4)C(=O)O)O	C5K	(2~{s})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[(1~{r},2~{r},3~{s})-3-methyl-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid
+CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC	C5L	2'-o-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate)
+Cc1cc(c(c(c1S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)NCc3cccc(c3)Cl)O)C)C)OC	C5M	n-{(2r,3s)-3-[(3-chlorobenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzenesulfonamide
+CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC3)CC	C5N	~{n}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	C5P	cytidine-5'-monophosphate
+c1ccc2c(c1)c(c[nH]2)Cc3ccc4c(c3C(=O)O)OCO4	C5Q	5-(1h-indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid
+CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C	C5R	(2s)-2-[[(1r,4as,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1h-indol-3-yl)propanoic acid
+C([C@H](C(=O)O)NC=O)C(=O)O	C5S	n-formyl-d-aspartic acid
+CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2N(=O)=O)C(=O)OC	C5U	dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
+c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)[C@H]4C[C@@H]4c5cccnc5	C5V	(1s,2s)-n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
+CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)O	C5W	2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{h}-indazol-6-yl]pyridine-3-carboxylic acid
+C1[C@H](O1)CCCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O	C5X	3-[(2r)-oxiran-2-yl]propyl beta-d-xylopyranoside
+CCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	C5Y	5'-o-[(s)-hydroxy(octanoyloxy)phosphoryl]adenosine
+CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)OC	C5Z	methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{h}-indazol-6-yl]pyridine-3-carboxylate
+CCCCNC(=O)C(CC(C(CC1CCCCC1)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc3ccccc3)CS(=O)(=O)C(C)(C)C)O)C(C)C	C60	[[[3-(2-methyl-propane-2-sulfonyl)-1-benzenyl]-2-propyl]-carbonyl-histidyl]-amino-[cyclohexylmethyl]-[2-hydroxy-4-isopropyl]-pentan-5-oic acid butylamide
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@H](Cc1ccc(c(c1)OCCCOC)OC)C(C)C)N)O	C61	(2r,4s,5s,7s)-5-amino-n-butyl-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,8-dimethylnonanamide
+c1cc(ccc1c2ccc(o2)\C=C/3\C(=O)NC(=O)S3)S(=O)(=O)N	C62	4-{5-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide
+CCCCCCOC[C@H](COP(=O)(CCCCC)O)OCCCCCC	C63	(2r)-2,3-bis(hexyloxy)propyl hydrogen (s)-pentylphosphonate
+c1ccc2c(c1)nc(n2CC(=O)Nc3ccc(cc3)Br)c4nccs4	C64	n-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1h-benzimidazol-1-yl]acetamide
+c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C(=O)NO	C65	(2e)-n-hydroxy-3-{4-[(e)-phenyldiazenyl]phenyl}prop-2-enamide
+C1=CN(C(=O)N=C1N)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O	C66	2-aminoethyllysine-carbonylmethylene-cytosine
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCC(=O)O	C67	n~5~-[n-(2-carboxyethyl)carbamimidoyl]-l-ornithine
+CC(C)C[C@@H](C(=O)O)OC(=O)N[C@@H](CCC(=O)O)C(=O)O	C68	(2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid
+COc1ccc(c(c1)OC)N2[C@@H](SCC2=O)c3cccc(c3)Br	C69	(2s)-2-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@H]2C[C@@H](Oc3c2cc(cc3)CC(C)(C)C)C4CC4)O	C6A	n-[(2s,3r)-4-{[(2r,4s)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2h-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
+C1=CN(C(=O)N=C1N)[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)OP(=O)(O)O)O	C6B	[(2s,3s,4r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
+C1CCC(CC1)SSC[C@@H](C(=O)O)N	C6C	s-cyclohexyl thiocysteine
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCCO	C6D	n~5~-[n-(3-hydroxypropyl)carbamimidoyl]-l-ornithine
+CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5	C6F	6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2OCC(=O)O)N	C6G	6-(carboxymethoxy)-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purin-2-amine
+COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)CC4CCCCC4)Cl	C6H	1-(7-chloranyl-4-methoxy-1~{h}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one
+C[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O	C6J	[2-(1-methylpyridin-2-yl)-1-phosphono-ethyl]phosphonic acid
+COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)Cc4ccccc4)Cl	C6K	1-(7-chloranyl-4-methoxy-1~{h}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one
+CCCCCC(=O)N[C@@H](CCO)C(=O)O	C6L	n-hexanoyl-l-homoserine
+CCC[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O	C6M	[1-phosphono-2-(1-propylpyridin-2-yl)ethyl]phosphonic acid
+C1CCC(CC1)CCCCC(CCCCC2CCCCC2)(CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O	C6N	6-cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-o-(alpha-d-glucopyranosyl)-beta-d-glucopyranosyl]oxy}methyl)hexyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CCC(=O)N1CCC[C@@H](C1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)C(=C(C2=O)c6cccc(c6Cl)F)C	C6O	6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3s)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O	C6P	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-cysteine
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCc2ccccc2)O)O	C6Q	n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide
+C[C@]1([C@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF	C6R	n-[3-[(4s,5r)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)C3CCCCC3)O	C6S	(3r)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NP(=O)(CP(=O)(O)O)O)O)O	C6T	2'-deoxy-5'-o-[(s)-hydroxy{[(r)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine
+C[C@]1(CCSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)Cl	C6U	n-[3-[(4s)-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-chloranyl-pyridine-2-carboxamide
+CC(c1cc(ccc1c2c(c3ccc(cc3s2)O)Oc4ccc(cc4)/C=C/C(=O)O)F)(F)F	C6V	lsz102
+C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1	C6W	3-cyclohexyl-1-propylphosphocholine
+CN1C2=Cc3cccnc3N(c4c2c(ccc4)C1=O)Cc5cccc(c5)C(=O)N	C6X	3-((1-methyl-2-oxo-1,2,2a1,5a-tetrahydro-6h-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-6-yl)methyl)benzamide
+c1cc(c(cc1Cl)Cl)Cc2ccc(nn2)S	C6Z	6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol
+c1ccc(c(c1)CCC(=O)NO)NC(=O)c2cccc(c2)C(F)(F)F	C7	n-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide
+c1cc(ccc1c2cc3c(s2)c(nnc3N[C@H]4CCCNC4)C(=O)N)Cl	C70	2-(4-chlorophenyl)-4-[(3s)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide
+C/C(=N\S(=O)(=O)c1ccccc1)/N[C@@H](CC2(CCCC2)C)C(=O)NC3(CCS(=O)(=O)CC3)CN	C71	n-[4-(aminomethyl)-1,1-dioxidotetrahydro-2h-thiopyran-4-yl]-3-(1-methylcyclopentyl)-n~2~-[(1e)-n-(phenylsulfonyl)ethanimidoyl]-l-alaninamide
+c1cc(ccc1c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N)Cl	C72	2-(4-chlorophenyl)-4-[(3s)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide
+c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3)Cl	C73	2-(carbamoylamino)-5-(4-chlorophenyl)-n-[(3s)-piperidin-3-yl]thiophene-3-carboxamide
+[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)S(=O)(=O)NC)/S1	C75	4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-furyl}-n-methylbenzenesulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)(F)F)O)O)O	C76	2,2,2-tris(fluoranyl)-n-[(2r,3r,4r,5s,6r)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
+CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)Cn5cc(nn5)CCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C	C77	5'-deoxy-2',3'-o-(1-methylethylidene)-5'-(4-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentyl}-1h-1,2,3-triazol-1-yl)adenosine
+c1cc(cc(c1)N)COC(=O)N[C@@H](Cc2ccc(cc2)OP(=O)(O)O)C(=O)NC3(CCCCC3)C(=O)N[C@@H]4CCCC[C@@H]4C(=O)N	C78	[1-[1-(6-carbamoyl-cyclohex-2-enylcarbamoyl)-cyclohexylcarbamoyl]-2-(4-phosphonooxy-phenyl)- ethyl]-carbamic acid 3-aminobenzylester
+CCc1c(c(nc(c1C#N)S[C@H](c2ccc(cc2)C(F)(F)F)C(=O)N)N3CCC(CC3)N)C#N	C79	(2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide
+CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)CCl	C7A	n-(4-tert-butylphenyl)-2-chloro-n-[(1r)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide
+c1cc(ccc1OCC(=O)NC2CCC(CC2)NC(=O)COc3ccc(cc3)Cl)Cl	C7B	2-(4-chloranylphenoxy)-~{n}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide
+c1cc(ccc1Sc2c(nns2)C(=O)[O-])Cl	C7C	5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]4[C@H]([C@@H]([C@@H](O4)O[C@H]5[C@H]([C@H](O[C@@H]5n6cnc7c6ncnc7N)COP(=O)(O)OP(=O)(O)O)O)O)O)O)O)N	C7G	[(2~{r},3~{s},4~{s},5~{s})-5-(6-aminopurin-9-yl)-4-[(2~{s},3~{s},4~{s},5~{s})-5-[[[[(2~{r},3~{r},4~{s},5~{s})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
+CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1	C7H	4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine
+CC(C)CN(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)Cl)O)S(=O)(=O)c4ccc(cc4)N	C7J	(3r,3as,4r,6as)-4-chlorohexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+c1cc(c2c(c1NCCCCCCCCCCCC(=O)O)non2)N(=O)=O	C7K	12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=O)(=O)c4ccc(cc4)N	C7L	(3r,3as,4r,6ar)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+COc1ccc(cc1)S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)[NH2+]Cc3cc(ccc3N4C=NNN4)Cl)O	C7M	(2s,3r)-n-[5-chloro-2-(2,3-dihydro-1h-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbuta n-2-aminium
+CN1CCC(=C2c3ccccc3C=Cc4c2ccc(c4)O)CC1	C7N	2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol
+C[C@]1(C2(CCS(=O)(=O)CC2)CSC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF	C7O	n-[3-[(5r)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+C1=CC=[N](C=C1)[Pt+2]([NH3])([NH3])Cl	C7P	cis-diammine(pyridine)chloroplatinum(ii)
+[H]/N=C\C1(CC1)NC(=O)[C@@H]2Cc3ccc(c(c3)Cl)OC/C=C/CCc4ccccc4C(=O)N2	C7Q	(3~{s},14~{e})-19-chloranyl-~{n}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O	C7R	2'-deoxy-5'-o-thiophosphonocytidine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O	C7S	2'-deoxy-5'-o-thiophosphonocytidine
+c1cc2c(cc1C[C@H](NC(=O)c3cc(ccc3OC/C=C/CO2)C4CNC4)C(=O)NC5(CC5)C#N)Cl	C7T	(3~{s},14~{e})-8-(azetidin-3-yl)-19-chloranyl-~{n}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)Cl)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC	C7U	(3r,3as,4r,6as)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+Cc1cnoc1C(=O)Nc2c3ccccc3n(n2)Cc4ccc(cc4)C(F)(F)F	C7V	4-methyl-n-(1-{[4-(trifluoromethyl)phenyl]methyl}-1h-indazol-3-yl)-1,2-oxazole-5-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCC(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC	C7W	(3r,3as,4r,6ar)-4-(3,3,3-trifluoropropoxy)hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+C[C@]1([C@@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF	C7X	n-[3-[(4s,5s)-2-azanyl-4-methyl-5-phenyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+C[C@@H](c1ccc2c(n1)cc[nH]2)Nc3nccc(n3)Nc4cc([nH]n4)C5CC5	C7Y	n~4~-(5-cyclopropyl-1h-pyrazol-3-yl)-n~2~-[(1s)-1-(1h-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine
+CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](CC2(C)C)O)C)\C)\C)/C)/C	C7Z	(1~{s})-3,5,5-trimethyl-4-[(1~{e},3~{e},5~{e},7~{e},9~{e},11~{e},13~{e},15~{e},17~{e})-3,7,12,16-tetramethyl-18-[(4~{s})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
+CCCCNC(=O)[C@H](C)CC([C@H](C[C@H](C)COC(=O)c1cn(c2c1cccc2)Cc3ccccc3)N)O	C80	(2s,4s,5r,7r)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctyl 1-benzyl-1h-indole-3-carboxylate
+Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)[C@H](C)F	C81	(4r)-4-[(1s)-1-fluoroethyl]-3-[2-({(1s)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
+c1cc(ccc1Nc2cnn[nH]2)Cl	C82	~{n}-(4-chlorophenyl)-1~{h}-1,2,3-triazol-5-amine
+C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF)F	C83	n-[3-[(4r,5r,6r)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+CC(C)[C@@H]([C@H](C(=O)NP(=O)(O)O[C@@H]1C[C@@H]([C@@H](O1)n2cnc3c2ncnc3NP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O)CO)O)O)O)O)O	C84	[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-n-[9-[(2r,3s,5r)-5-[[[(2r,3s)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid
+[H]/N=C/1\NC(=O)C(=Cc2ccc(o2)c3ccc(cc3)S(=O)(=O)N)S1	C85	4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide
+C[C@]1(C[C@H](SC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF	C86	n-[3-[(4s,6s)-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
+c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)C(=O)NCC#N	C87	momelotinib
+Cc1cc(ccc1OC)c2c3c(ncnc3n(n2)CC4CCNCC4)N	C88	3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CN1CCN(CC1)C(=O)c2cccc(c2)CN3c4cccc5c4C(=Cc6c3nccc6)N(C5=O)C	C89	1-methyl-6-(3-(4-methylpiperazine-1-carbonyl)benzyl)-1,2a1,5a,6-tetrahydro-2h-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-2-one
+c1ccc(cc1)Cc2ccc(cc2)NC(P(=O)(O)O)P(=O)(O)O	C8A	{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)
+CN1[C@H](C(=O)N([C@](C1=O)(Cc2ccccc2)O)C)Cc3c[nH]c4c3c(ccc4)[N+](=O)[O-]	C8B	(3~{r},6~{s})-1,4-dimethyl-6-[(4-nitro-1~{h}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione
+c1cc(cc2c1cc[nH]2)CCC3=CC(=O)NC(=N3)N	C8C	2-amino-6-[2-(1h-indol-6-yl)ethyl]pyrimidin-4(3h)-one
+B([C@H](CCO)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC2CCCC2)Oc3c4ccccc4ccn3)(O)[O-]	C8D	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-{(1r)-3-hydroxy-1-[hydroxy(oxido)boranyl]propyl}-4-(isoquinolin-1-yloxy)-l-prolinamide
+CCCCCCCCOCCOCCOCCOCCO	C8E	(hydroxyethyloxy)tri(ethyloxy)octane
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccc(cc2)F)O)O	C8F	8-(4-fluorophenyl)-n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide
+CCC(=O)N1CC(C1)N2CCN(CC2)C(=O)CNc3cc(c(cc3O)Cl)Cl	C8G	1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one
+CN1[C@H](C(=O)N([C@H](C1=O)Cc2c[nH]c3c2c(ccc3)[N+](=O)[O-])C)Cc4ccccc4	C8H	(3~{s},6~{s})-1,4-dimethyl-3-[(4-nitro-1~{h}-indol-3-yl)methyl]-6-(phenylmethyl)piperazine-2,5-dione
+c1cc(cc(c1)C(=O)N)CCN(CCC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	C8J	(2~{r})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid
+c1cc2c(cc1CNC(=O)c3c(cc(cn3)Br)F)OCO2	C8K	~{n}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide
+C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C%16N(C5=O)CN5C%17C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C(=O)N%16CN%17C1=O	C8L	cucurbit[8]uril
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCC(=O)N)O)O)N	C8M	3-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e
+C[NH+](C)C1=C2N([C@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4	C8N	[(3~{s})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
+c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCN	C8O	2-(2-azanylethylamino)-5-nitro-benzoic acid
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O	C8P	n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide
+COC1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4	C8Q	(3~{r})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(nc3N)C(=O)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)O)O)O)O)O)O	C8R	8-amino-n1-cyclic inosine 5'-diphosphoribose
+C1[C@@H]2C[C@@H]2N([C@@H]1CN)C(=O)[C@H](C34CC5C[C@](C3)(C[C@@](C5)(C4)O)O)N	C8S	(2s)-2-amino-1-[(1s,3s,5s)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3r,5s,7s)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one
+CC1=C([C@@H](C(=C(N1)C)N(=O)=O)c2ccccc2C(F)(F)F)C(=O)OC	C8U	methyl (4~{s})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
+C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@H](CN2C=O)NOS(=O)(=O)O	C8V	(2s,5r)-1-formyl-n'-[(3r)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide
+COc1ccc(cc1OCCCC(=O)O)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N	C8W	4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid
+c1cc(ccc1C(=O)OCCO)C(=O)OCCO	C8X	bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C#N	C8Y	(2s,5r)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile
+c1ccc(cc1)[C@H]2CCCN2c3ccnc4c3cc[nH]4	C8Z	4-[(2~{r})-2-phenylpyrrolidin-1-yl]-1~{h}-pyrrolo[2,3-b]pyridine
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)O	C90	n-{(1s,2r)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide
+c1ccc2cc(ccc2c1)NC(=O)Cn3c4ccccc4nc3c5ccccn5	C91	n-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1h-benzimidazol-1-yl]acetamide
+Cc1ccc(cc1C(=O)Nc2ccc(nc2)N)C(=O)NCCC3CCCC3	C92	n'-(6-aminopyridin-3-yl)-n-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide
+c1cc(c(c(c1)N2CCC(CC2)O)C(=O)O)C(=O)O	C93	3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid
+[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)N)/S1	C94	4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-2-(trifluoromethyl)benzenesulfonamide
+[H]/N=C/1\NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)C(=O)O)/S1	C95	4-{5-[(z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
+[H]/N=C/1\NC(=O)/C(=C(\C)/c2ccc(o2)c3ccc(cc3)S(=O)(=O)N)/S1	C96	4-{5-[(1z)-1-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)ethyl]-2-furyl}benzenesulfonamide
+c1cc(oc1)CN(CCc2ccc(cc2)S(=O)(=O)N)C(=O)CN	C97	n-[(furan-2-yl)methyl]-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide
+c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)Nc3cccc(c3)C(=O)O	C98	3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid
+C[C@H]([C@@H]([C@]1(NC(=O)C(=O)N1CC(=O)O)O)N)O	C99	{(2r)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-2-hydroxy-4,5-dioxoimidazolidin-1-yl}acetic acid
+CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4)S(=O)(=O)C)C(=O)OCc5ccc(cc5)Cl	C9A	4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
+c1ccc(cc1)[C@H]2COCCN2c3ccnc4c3c[nH]n4	C9B	(3~{s})-3-phenyl-4-(2~{h}-pyrazolo[3,4-b]pyridin-4-yl)morpholine
+c1cc(ccc1C(=O)O)C(=O)OCCO	C9C	4-(2-hydroxyethyloxycarbonyl)benzoic acid
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)[C@@H]2CCNC2	C9D	(2s,5r)-1-formyl-n'-[(3r)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide
+CCOC(=O)c1ccnc2c1cc[nH]2	C9E	ethyl 1h-pyrrolo[2,3-b]pyridine-4-carboxylate
+CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC	C9F	[(2~{s},3~{s})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
+CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O	C9G	2-[1-(4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7h)-one
+CCCCCSc1[nH]ncn1	C9H	5-(pentylsulfanyl)-1h-1,2,4-triazole
+CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O	C9J	2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7h)-one
+C[C@@H](CNCCO)N	C9K	2-[[(2~{s})-2-azanylpropyl]amino]ethanol
+CCc1c(nc(nc1N2CCCCC2)N)NC	C9L	5-ethyl-n4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
+COC/C=C/c1ccc(c(c1)OC)O	C9M	2-methoxy-4-[(1e)-3-methoxyprop-1-en-1-yl]phenol
+C[C@@H](CN(C)CCO)N	C9N	2-[[(2~{s})-2-azanylpropyl]-methyl-amino]ethanol
+COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc(c5)Br)F	C9O	~{n}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{h}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]-3-bromanyl-benzenesulfonamide
+B(c1ccc(c(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)C(=O)O)(O)O	C9P	4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid
+CCNC(=O)c1cc2c(ccnc2[nH]1)c3cccc(c3)Cl	C9Q	4-(3-chlorophenyl)-~{n}-ethyl-1~{h}-pyrrolo[2,3-b]pyridine-2-carboxamide
+COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc6c5cccc6)F	C9R	~{n}-[2,4-bis(fluoranyl)-3-[4-(3-methoxy-1~{h}-pyrazolo[3,4-b]pyridin-5-yl)-1,2,3-triazol-1-yl]phenyl]naphthalene-1-sulfonamide
+CCCCCC[C@@H](C)C(=O)O	C9T	(2~{r})-2-methyloctanoic acid
+CCn1cc(c(n1)c2cccnc2)c3ccnc(n3)Nc4ccc(cc4)N5CCNCC5	C9U	4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{n}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
+[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCC(=O)O[C@H](COP(=O)(O)OC[C@H](COC(=O)C)OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC)C)C)(F)F	C9V	[(2r,5r,11r,14s,24e)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1h-pyrrol-2-yl-kappan)-5-(3,5-dimethyl-2h-pyrrol-2-ylidene-kappan)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9e)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9e)-octadec-9-enoatato](difluoro)boron
+Cc1cc2c(cc1F)OC[C@H]([C@H]2O)NS(=O)(=O)c3cc(c([nH]3)C)C(=O)N4CC(C4)(C)C#N	C9W	4-(3-cyano-3-methylazetidine-1-carbonyl)-n-[(3r,4s)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2h-1-benzopyran-3-yl]-5-methyl-1h-pyrrole-2-sulfonamide
+CC1=C([C@H](C(=C(N1)C)P2(=O)OCC(CO2)(C)C)c3cccc(c3)[N+](=O)[O-])C(=O)OCCN(Cc4ccccc4)c5ccccc5	C9X	2-[phenyl-(phenylmethyl)amino]ethyl (4~{r})-5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
+c1cc(c(cc1n2cc(nn2)c3ccc4c(n3)C(=O)N(C=C4)CC(=O)O)F)O	C9Y	{2-[1-(3-fluoro-4-hydroxyphenyl)-1h-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8h)-yl}acetic acid
+CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@H]6[C@@H]([C@@H](CN6C5)O)O)c7ccc(cc7)OC	C9Z	(9~{s},10~{s},11~{r})-~{n}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide
+[Ca+2]	CA	calcium ion
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)N)O)O)N	CA0	5'-o-[(s)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine
+CCC(=O)OCC	CA1	ethyl propionate
+c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O	CA2	(1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCCC(=O)NCCc4c[nH]c5c4cccc5)O	CA3	coa-s-trimethylene-acetyl-tryptamine
+CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C	CA4	cyproterone acetate
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cc(cc5)Br)O	CA5	coa-s-acetyl 5-bromotryptamine
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)C)O	CA6	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-4-[[3-(4-methylsulfonylbutylamino)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+C1CCC(CC1)CCCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	CA7	7-cyclohexylheptyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)c4ccccc4)O	CA8	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[4-(phenylsulfonyl)butylamino]propyl]amino]butyl] hydrogen phosphate
+C[C@H]1[C@@H](CC(=C[C@H]1O)C#CC2=CCC[C@]3([C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O	CA9	(1r,2s,3r)-5-[2-[(1r,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol
+CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CAA	acetoacetyl-coenzyme a
+C([C@@H](C(=O)O)N)C(C=O)(O)O	CAB	4,4-dihydroxy-5-oxo-l-norvaline
+C[As](=O)(C)[O-]	CAC	cacodylate ion
+C[As](=O)(C)O	CAD	cacodylic acid
+CC1(C2CCC1(CC2)C)C	CAE	camphane
+C[As](=O)(C)SC[C@@H](C(=O)O)N	CAF	s-dimethylarsinoyl-cysteine
+C[C@H](c1ccccc1[N+](=O)[O-])O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	CAG	guanosine 5'-triphosphate p3-[1-(2-nitrophenyl)ethyl ester]
+CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C	CAH	5-exo-hydroxycamphor
+C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](C[C@H]2[C@@H](O2)\C=C\C1=O)C)OC(=O)C)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O	CAI	carbomycin a
+CCOC(=O)CCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CAJ	ethyl 5-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]pentanoate
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)COP(=O)(O)O	CAK	[(1r,2r,3s,4s,5r)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate
+CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O	CAL	5-amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid
+CC1([C@@H]2CC[C@]1(C(=O)C2)C)C	CAM	camphor
+C(CON)[C@@H](C(=O)O)N	CAN	canaline
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O	CAO	oxidized coenzyme a
+C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O	CAP	2-carboxyarabinitol-1,5-diphosphate
+c1ccc(c(c1)O)O	CAQ	catechol
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	CAR	cytosine arabinose-5'-phosphate
+C[As](C)SC[C@@H](C(=O)O)N	CAS	s-(dimethylarsenic)cysteine
+CCCCCCCCCCCC[N+](C)(C)C	CAT	dodecane-trimethylamine
+CC(C)NC[C@@H](COc1cccc2c1c3ccccc3[nH]2)O	CAU	(2s)-1-(9h-carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
+CC(C)[C@H]([C@H]([C@@H]([C@H](CC1CCCCC1)N)O)O)C(=O)O	CAV	5-amino-6-cyclohexyl-3,4-dihydroxy-2-isopropyl-hexanoic acid
+c1ccc2c(c1)cccc2C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	CAW	n-[[(2r,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-1-carboxamide
+C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O	CAX	(2s,4s)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentanone
+C([C@@H](C(=O)O)N)SCC(=O)O	CAY	carboxymethylenecysteine
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O	CAZ	acylated ceftazidime
+C(=C\Br)\Br	CB0	cis-dibromoethene
+c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N	CB1	5-(aziridin-1-yl)-2,4-dinitrobenzamide
+C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)Br	CB2	phosphoric acid mono-[5-(4-amino-5-bromo-2-oxo-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester
+C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	CB3	10-propargyl-5,8-dideazafolic acid
+B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)(O)O	CB4	pinacol[[2-amino-alpha-(1-carboxy-1-methylethoxyimino)-4-thiazoleacetyl]amino]methaneboronate
+[B@H]12[BH]345[BH]167[BH]389[BH]413[BH]54[BH]115[BH]383[CH]966[CH]722[Co]3611367([BH]524)[BH]24[BH]115[BH]228[BH]119[BH]353[BH]115[BH]922[BH]88[BH]211[CH]684[CH]7153	CB5	cobalt bis(1,2-dicarbollide)
+Cc1ccc2c(c1)cc(s2)COC3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O	CB6	(1r,4s,5r)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid
+c1cc2c(ccs2)cc1CC3=C([C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O)OCc4ccc5c(c4)ccs5	CB7	(1r,4s,5r)-3-(benzo[b]thiophen-5-yl)methoxy-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxycyclohex-2-ene-1-carboxylate
+c1ccc2c(c1)cc(s2)COC3=C([C@](C[C@H]([C@@H]3O)O)(C(=O)O)O)Cc4cccs4	CB8	(1r,4s,5r)-3-(benzo[b]thiophen-2-yl)methoxy-1,4,5-trihydroxy-2-(thien-2-yl)methylcyclohex-2-en-1-carboxylate
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@H](c2ccccc2)C(=O)O)C(=O)O)C	CB9	(2r,4s)-2-[(1r)-1-{[(2s)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@]([C@H](C(=O)O)O)(C(=O)O)O)O	CBA	n-pyridoxyl-2,3-dihydroxyaspartic acid-5-monophosphate
+[H]/N=C(/c1cccc(c1)Cn2c3ccccc3cc2C(=O)OCc4cccc(c4)/C(=N\[H])/N)\N	CBB	1-(3-carbamimidoyl-benzyl)-1h-indole-2-carboxylic acid 3-carbamimidoyl-benzylester
+c1ccc(c(c1)C(F)(F)F)S(=O)(=O)NNC(=O)c2cc3cc(ccc3o2)Cl	CBC	n'-(5-chlorobenzofuran-2-carbonyl)-2-(trifluoromethyl)benzenesulfonohydrazide
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O	CBD	cibacron blue
+CC1=C(SCCO1)C(=O)Nc2ccccc2	CBE	2-methyl-n-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(C(=O)N)O)O)O)O)O	CBF	(2r,3r,4s,5s,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide
+CCC=O	CBG	propanal
+C(CCSCC[C@@H](C(=O)O)N)CC(=O)O	CBH	s-(d-carboxybutyl)-l-homocysteine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	CBI	cellobiose
+c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4	CBJ	6-[(5-bromo-2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	CBK	4-o-beta-d-glucopyranosyl-alpha-d-glucopyranose
+c1cc(ccc1CCCC(=O)O)N(CCCl)CCCl	CBL	chlorambucil
+CC(=O)O	CBM	carboxymethyl group
+Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3Cl)OC(=O)C(=C4O)NC(=O)c5ccc(c(c5)CC=C(C)C)O)O	CBN	clorobiocin
+CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C	CBO	carbenoxolone
+c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO	CBP	2-{4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-tetrahydro-pyran-4-yl}-n-hydroxy-acetamide
+c1cc(ncc1Cl)NC(P(=O)(O)O)P(=O)(O)O	CBQ	[(5-chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O)O	CBR	5-bromo-2'-deoxy-cytidine-5'-monophosphate
+c1cc(ccc1CN(Cc2ccc(cc2)Cl)c3n[nH]nn3)Cl	CBT	n,n-bis(4-chlorobenzyl)-1h-1,2,3,4-tetraazol-5-amine
+C1(C(C(C(C(C1O)O)O)O)O)O	CBU	(1r,2r,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)Br	CBV	5-bromocytidine 5'-(dihydrogen phosphate)
+CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C	CBW	(3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid
+C(=O)O	CBX	carboxy group
+CC1=C2[C@]([C@H]([C@H]3[N-]2[Co+2]45[N]6=C1[C@H](C(C6=CC7=[N]4C(=C(C8=[N]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O	CBY	cob(ii)inamide
+c1ccc(cc1)COC=O	CBZ	carbobenzoxy group
+C[C@@H](c1ccc(c(c1)C(=O)N)OCC2CCCCC2)NC(=O)[C@H](Cc3ccc(c(c3)P(=O)(O)O)OCC(=O)O)NC(=O)C	CC0	(4-{2-acetylamino-2-[1-(3-carbamoyl-4-cyclohexylmethoxy-phenyl)-ethylcarbamoyl}-ethyl}-2-phosphono-phenoxy)-acetic acid
+CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCc3c2cc(c(c3)OCC4CCCCC4)C(=O)N	CC1	{4-[2-acetylamino-2-(3-carbamoyl-2-cyclohexylmethoxy-6,7,8,9-tetrahydro-5h-benzocyclohepten-5ylcarbamoyl)-ethyl]-2-phosphono-phenyl}-phosphonic acid
+Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4	CC2	4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2h-chromen-2-one
+c1cc(cc(c1)Nc2ccnc(n2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F	CC3	n-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide
+C=C(C[SeH])C(=O)O	CC4	2-(selanylmethyl)prop-2-enoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](CO3)O)O)N	CC5	beta-d-erythrofuranosyl-adenosine
+c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O	CC6	3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4h-1-benzopyran-4-one
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O[P@](=O)(O1)O	CC7	4-amino-1-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1h)-one
+C[C@H](CS)C(=O)O	CC8	(2s)-2-methyl-3-sulfanylpropanoic acid
+COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O	CC9	curcumin
+C[N@@H+]1[C@@H]2CC[C@H]1[C@@H]([C@@H](C2)OC(=O)c3ccccc3)C(=O)OC	CCA	2-benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-3-carboxylic acid methyl ester
+C1CCC(C1)N(C=O)C2CCC2	CCB	cyclobutyl(cyclopentyl)formamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)(O3)O	CCC	cytidine-5'-phosphate-2',3'-cyclic phosphate
+C[C@H](CCC[N+](C)(C)C)O	CCD	(4r)-4-hydroxy-n,n,n-trimethylpentan-1-aminium
+C[N+](C)(C)CCOC(=O)N	CCE	2-[(aminocarbonyl)oxy]-n,n,n-trimethylethanaminium
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=O)C)CCC(=O)O)C	CCH	[7-ethenyl-12-formyl-3,8,13,17-tertramethyl-21h,23h-porphine-2,18-dipropanoato(2)-n21,n22,n23,n24]iron
+CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC)C)NO[C@H]3C[C@@H]([C@@H]([C@H](O3)C)SC(=O)c4c(c(c(c(c4OC)OC)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)OC)O)I)C)O)O	CCI	calicheamicin gamma-1-oligosaccharide
+CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O	CCK	[1-(6-{6-[(1-methylethyl)amino]-1h-indazol-1-yl}pyrazin-2-yl)-1h-pyrrol-3-yl]acetic acid
+C1CCC(C1)OC(=O)NCCCC[C@H](C(=O)O)N	CCL	n~6~-[(cyclopentyloxy)carbonyl]-d-lysine
+CC1(CCCC1)C(=O)O	CCM	1-methyl-1-carboxy-cyclopentane
+CC#N	CCN	acetonitrile
+c1cc(cc(c1)Cl)c2nc(on2)SCC(=O)O	CCO	carboxymethylthio-3-(3-chlorophenyl)-1,2,4-oxadiazol
+CCCCP(=O)(O)O	CCP	butylphosphonate
+CC(C)(CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](C[N+](C)(C)C)O)O	CCQ	l-carnitinyl-coa inner salt
+Cc1cc(c(c(c1S(=O)(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccc(cc2)C(=N)N)C(=O)N3CCCCC3)C)C)OC	CCR	[n-[n-(4-methoxy-2,3,6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine
+C([C@@H](C(=O)O)N)SCC(=O)O	CCS	carboxymethylated cysteine
+Cc1ccccc1S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)C#N	CCT	5-(4-cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid
+C(=C/C(=O)O)/C=C\C(=O)O	CCU	(2z,4z)-hexa-2,4-dienedioic acid
+CC1=C(NC(=O)NC1=O)CC(CO)CO	CCV	6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-2,4(1h,3h)-pyrimidinedione
+CS(=O)(=O)C/C(=N\CCC[C@@H](C(=O)O)N)/N	CCW	(s)-2-amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid
+c1cc2c(c[nH]c2c(c1)C(=O)NC3CCN(CC3)CCCCc4c[nH]c5c4cc(cc5)C#N)C#N	CCX	3-cyano-n-{1-[4-(5-cyano-1h-indol-3-yl)butyl]piperidin-4-yl}-1h-indole-7-carboxamide
+c1cc(ccc1CC2C(=O)N(C(N2)[C@H](CS)N)CC(=O)O)O	CCY	2-(1-amino-2-mercapto-ethyl)-5-(4-hydroxy-benzyl)-3-(ethanoyl)-3,5-dihydro-imidazol-4-one
+[H]/N=C(/c1ccc(cc1)C[P@@](=O)(O)Oc2ccccc2)\N	CCZ	phenyl (4-carbamimidoylbenzyl)phosphonate
+[Cd+2]	CD	cadmium ion
+CCCCCc1cc(c(c(c1)O)[C@@H]2C[C@H](CC[C@H]2C(=C)C)C)O	CD0	2-[(1r,2r,5s)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol
+[OH2][Cd+2]	CD1	cadmium ion, 1 water coordinated
+c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc(n(n4)CCN)C(=O)O	CD2	1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1h-pyrazole-5-carboxylic acid
+[OH2][Cd+2]([OH2])[OH2]	CD3	cadmium ion, 3 waters coordinated
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC(CO[P@@](=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCC	CD4	(2r,5r,11r,14r)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate
+[OH2][Cd+2]([OH2])([OH2])([OH2])[OH2]	CD5	cadmium ion, 5 waters coordinated
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2ccccc2	CD6	(2r)-5-methylidene-2-{(1r)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+[H]/N=C\1/CC[C@H](N(C1)C=O)C(=O)NNC(=O)[C@@H]2CCN(C2)OS(=O)(=O)O	CD7	(2s,5z)-1-formyl-5-imino-n'-[(3r)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide
+CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)c2ccccc2	CD8	(2r)-2-[(1s)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1cc2c(cc1Cl)N(C(=O)C2)Cc3ccc4c(c3C(=O)O)OCO4	CD9	5-[(6-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
+CC1=CN=C(C(=O)N1CC(=O)NCc2c(cccn2)F)NCC(c3ccccn3)(F)F	CDA	2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-6-pyridinyl)methyl]acetamide
+Cc1ccnc(c1F)CNC(=O)CN2C(=C[NH+]=C(C2=O)NCC(c3cccc[nH+]3)(F)F)C	CDB	2-(6-chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-3-methyl-6-pyridinyl)methyl]acetamide
+C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O	CDC	[2-cytidylate-o'-phosphonyloxyl]-ethyl-trimethyl-ammonium
+c1ccc(c(c1)CNC(=O)CN2C(=CN=C(C2=O)NCC(c3cccc[n+]3[O-])(F)F)Cl)F	CDD	2-(6-chloro-3-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluorophenyl)methyl]acetamide
+CC(C)[C@@H](C)N	CDE	1,2-dimethyl-propylamine
+C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O	CDF	4-amino-1-{5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-alpha-d-arabinofuranosyl}pyrimidin-2(1h)-one
+C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O	CDG	methyl 4,6-o-[(1r)-1-carboxyethylidene]-beta-d-galactopyranoside
+CC(=C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	CDH	d-(l-a-aminoadipoyl)-l-cysteinyl-d-isodehydrovaline
+C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO	CDI	2c-methyl-d-erythritol 2,4-cyclodiphosphate
+c1cc2c(c(c1)N)C=C(NC2=O)c3ccc(cc3)Cl	CDJ	5-amino-3-(4-chlorophenyl)isoquinolin-1(2h)-one
+CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC	CDK	4-[4-(3,4-dimethyl-2-oxo-2,3-dihydro-thiazol-5-yl)-pyrimidin-2-ylamino]-n-(2-methoxy-ethyl)-benzenesulfonamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC	CDL	cardiolipin
+C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O	CDM	4-diphosphocytidyl-2-c-methyl-d-erythritol
+CCCCCCCCCCCCCCC(O)O[C@H](COC(CCCCC)O)CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(CCCCCCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCC)O)O	CDN	cardiolipin
+[H]/N=C(/c1ccc(cn1)CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)\N	CDO	2-((r)-1-((s)-2-(n-(6-carbamimidoylpyridin-3-yl)methylcarbamoyl)-2h-pyrrol-1(5h)-yl)-3-cyclohexyl-1-oxopropan-2-ylamino)acetic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O	CDP	cytidine-5'-diphosphate
+c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4	CDQ	6-[(5-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+C[C@@H]1[C@H](CC[C@@H](O1)O)O	CDR	(2r,5s,6r)-6-methyltetrahydro-2h-pyran-2,5-diol
+Cc1c(scn1)\C=C/C2=C(N[C@H](SC2)[C@@H](C=O)NC(=O)/C(=N\OC)/c3csc(n3)N)C(=O)O	CDS	(2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-[(z)-2-(4-methyl-1,3-thiazol-5-yl)vinyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CSCC[C@H](C(=O)O)NC(=O)N	CDT	4-methylsulfanyl-2-ureido-butyric acid
+CCCCCCCCCCNC(=O)NC1CCCCC1	CDU	n-cyclohexyl-n'-decylurea
+CC(C)[C@H](C(=O)O)NC(=O)N	CDV	3-methyl-2-ureido-butyric acid
+C1[C@@H]([C@H](O[C@H]1N2[C@@H]3C=CN3C2=O)COP(=O)(O)O)O	CDW	(4r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1,3-diazabicyclo[2.2.0]hex-5-en-2-one
+C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	CDX	(s)-4,4'-(1-methyl-1,2-ethanediyl)bis-2,6-piperazinedione
+c1nc2c(nc(nc2n1[C@H]3CC[C@H](O3)CO)Cl)N	CDY	2-chlorodideoxyadenosine
+CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O	CDZ	3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
+[Ce+3]	CE	cerium (iii) ion
+CC1=C(N[C@H](SC1)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)C(C2CSC(=N2)N)NOC)C(=O)O	CE0	(2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-1-{[(2r)-2-[(4s)-2-amino-4,5-dihydro-1,3-thiazol-4-yl]-2-(methoxyamino)acetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO	CE1	o-dodecanyl octaethylene glycol
+CC(C)(C)c1c(c(no1)[O-])C[C@@H](C(=O)[O-])[NH3+]	CE2	3-(5-tert-butyl-3-oxidoisoxazol-4-yl)-l-alaninate
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c3csc(n3)N)SC1)C(=O)O	CE3	(6r,7r)-3-(acetyloxymethyl)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O	CE4	(2r)-2-[(r)-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2h-1,3-thiazine-4-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O)CO)CO)CO)CO)O)O)O)O	CE5	cellopentaose
+C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O)CO)CO)CO)CO)CO)O)O)O)O	CE6	cellohexaose
+C([C@@H](C(O)(O)O)N)C(=O)N	CE7	(3s)-3-amino-4,4,4-trihydroxybutanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H]([C@@H]([C@H]8O)O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O)O	CE8	cellooctaose
+CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	CE9	dodecyl nona ethylene glycol ether
+C([C@@H](C(=O)O)N)SO	CEA	s-hydroxy-cysteine
+CC[C@@](C)(C#N)Nc1nc(nc(n1)Cl)NCC	CEB	2-chloro-4-ethylamino-6-(s(-)-2'-cyano-4-butylamino)-1,3,5-triazine
+C(CCl)NC=O	CEC	chloroethylcarbamoyl group
+CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O	CED	5-methyl-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+c1ccc(cc1)CCCl	CEE	(2-chloroethyl)benzene
+CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O	CEF	cefotaxime, c3' cleaved, open, bound form 
+C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O	CEG	4,6-o-[(1s)-1-carboxyethylidene]-beta-d-glucopyranose
+C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)C	CEH	5-{3-(s)-(4-(r)-acetylamino-4-carboxy-butyrylamino)-3-[1-(r)-(1-(r)-carboxy-ethylcarbamoyl)-ethylcarbamoyl]-propyl}-2-( carboxy-phenylacetylamino-methyl)-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O	CEI	n-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
+C1CC(=O)CC1=O	CEJ	cyclopentane-1,3-dione
+CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O	CEK	(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-n-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide 
+Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	CEL	4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide
+C(C=O)C([C@H](C(=O)O)N\C=C/C=O)O	CEM	n-(1-carboxy-2-hydroxy-4-oxo-butyl)-n-(3-oxo-cispropenyl)amine
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O	CEN	7beta-(4carboxybutanamido) cephalosporanic acid
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2	CEO	5-methylene-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+COC(=O)CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O	CEP	cephalothin group
+CC[Si](C)(C)C	CEQ	ethyl-trimethyl-silane
+C\C=C\C\C=C\CCC(=O)[C@H](CC(=O)N)O	CER	(2s, 3r)-3-hydroxy-4-oxo-7,10-trans,trans-dodecadienamide
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c2ccco2)C(=O)O	CES	2-[carboxy-(2-furan-2-yl-2-methoxyimino-acetylamino)-methyl]-5-methyl-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+CC[C@](C)(C#N)Nc1nc(nc(n1)Cl)NCC	CET	2-chloro-4-ethylamino-6-(r(+)-2'-cyano-4-butylamino)-1,3,5-triazine
+CNc1cc(nc(n1)N)N2CCN(CC2)C	CEU	n4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)N	CEV	ethyl (4r)-4-amino-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C(=NOC)C2=CSC(N2)N)C(=O)O	CEW	(2r)-2-[(1r)-1-({[(2r)-2-amino-2,3-dihydro-1,3-thiazol-4-yl](methoxyimino)acetyl}amino)-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O)CO)CO)CO)CO)O)O)O)O	CEX	alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)  -alpha-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O	CEY	alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)  -alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O	CEZ	4-o-beta-d-glucopyranosyl-d-gluconic acid
+[Cf+3]	CF	californium ion
+CF	CF0	fluoromethane
+COc1ccc(c(c1)C(=O)O)Nc2cc(ccc2Cl)C(F)(F)F	CF1	2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-5-methoxybenzoic acid
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCNC(=O)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5N=C(NC6=O)N)O	CF2	2'-deoxy-5'-o-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)ethyl]carbamoyl}guanosine
+c1ccc(cc1)NC(=O)CCCCCCC(=O)C(F)(F)F	CF3	9,9,9-trifluoro-8-oxo-n-phenylnonanamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCNC(=O)O	CF4	[4-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)butyl]carbamic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC[C@H]2O	CF5	coformycin 5'-phosphate
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C	CF6	n,n'-(decane-1,10-diyl)bis{2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
+CC(C)N1c2ccc(cc2C(=O)N(C1=O)CC3CC3)NC(=O)N4CCO[C@H](C4)C(=O)Nc5ccc(c(c5)Cl)C#N	CF7	(2r)-n~2~-(3-chloro-4-cyanophenyl)-n~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide
+c1ccc2cc(ccc2c1)Cc3ccccc3/C=C(/C(=O)O)\S	CF8	(~{z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid
+c1cc2c(ccc3c2c(c1)C(=O)O3)OC(=O)c4ccc(cc4)[N+](=O)[O-]	CF9	2-oxo-2h-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate
+c1cc(c(cc1Cl)Cl)OCC(=O)O	CFA	(2,4-dichlorophenoxy)acetic acid
+c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)Cl)N	CFB	2-chloro-9-(2-deoxy-2-fluoro-b -d-arabinofuranosyl)-9h-purin-6-amine
+CN(C)C(=O)C12[C@@H]3[Fe]1456789([C@@H]3[C@H]4[C@H]52)[C@H]1[C@@H]6[C@@H]7C8([C@@H]91)C(=O)O	CFC	1-carboxy-1'-[(dimethylamino)-carbonyl]ferrocene
+C[C@H](\C=C(/C)\[C@@H](C)N)C=O	CFD	(2r,3e,5r)-5-amino-2,4-dimethylhex-3-enal
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC[C@H]2O	CFE	(8r)-3-beta-d-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
+Cn1cnc2c1C(=O)N(C(=O)N2C)C	CFF	caffeine
+CN([C@H](c1ccc(cc1)OC)C(=O)Nc2ccc(cc2)[Si](C)(C)C)C(=O)C3=CC(=O)NO3	CFG	n-[(1r)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-n-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide
+C(C(F)(F)F)(C(F)(F)F)O	CFH	1,1,1,3,3,3-hexafluoropropan-2-ol
+c1ccc(cc1)N(N=O)O	CFI	1-hydroxy-2-oxo-1-phenylhydrazine
+CCN1c2ccc(cc2C(=O)N(C1=O)CC)NC(=O)C[C@H](C)CC(=O)Nc3ccc(c(c3)Cl)C#N	CFJ	(3s)-n~1~-(3-chloro-4-cyanophenyl)-n~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide
+c1ccc(cc1)c2cc(c(s2)C(=O)N)NC(=O)N	CFK	3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	CFL	4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)pyrimidin-2(1h)-one
+S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48	CFM	fe-mo-s cluster
+N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12	CFN	fe(7)-mo-s(9)-n cluster
+O([Fe])[Fe]Cl	CFO	chloro diiron-oxo moiety
+c1[nH]c2c(n1)c(nc(n2)F)Cl	CFP	6-chloro-2-fluoropurine
+C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F	CFQ	1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine
+C1CCC(CC1)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N	CFS	4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-pentanoic acid
+C(F)(F)F	CFT	trifluoromethane
+CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C)C(=O)O	CFU	(2r)-2-[(1r)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C1=CN(C(=O)N=C1N)C[C@H](CO)OCP(=O)(O)O	CFV	[(2r)-1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid
+CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)Cc3cccs3	CFX	cefoxitin
+c1ccc(cc1)C[C@@H]([C@@]2(N=C(CS2)C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O)O)N	CFY	[(4z)-2-{(2r)-2-[(1s)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	CFZ	2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)
+c1cc2c(c(c1)C(=N)N)CCC2=NNC(=N)N	CG	4-amidinoindan-1-one-2'-amidinohydrazone
+CCc1c(nc(nc1N2CCN(CC2)C)N)NC3CC3	CG0	n4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
+CO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O	CG1	5'-o-[(r)-hydroxy(methoxy)phosphoryl]guanosine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=NC5=O)N)CO)O)O)O)N=C(NC2=O)N	CG2	cytidyl-2'-5'-phospho-guanosine
+c1ccc(c(c1)[N+](=O)O)O	CG3	hydroxy(2-hydroxyphenyl)oxoammonium
+COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(=O)O	CG4	4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid
+CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@@H]6[C@H]([C@H](CN6C5)O)O)c7ccc(cc7)OC	CG5	(9~{r},10~{r},11~{s})-~{n}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide
+C[C@H]([C@@H](C(=O)O)N)S	CG6	beta-methyl-cysteine
+Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl	CG7	5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1h-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid
+CN1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	CG8	(2~{s})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid
+c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6	CG9	6-(1h-indazol-6-yl)-n-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
+C(CC(=O)OCC(=O)O)C(C(=O)O)N	CGA	carboxymethylated glutamic acid
+C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O	CGB	calystegine b2
+c1ccc2c(c1)nc(s2)O	CGD	1,3-benzothiazol-2-ol
+COC(=O)[C@H](c1ccccc1Cl)N2CCc3c(ccs3)C2	CGE	clopidogrel
+C([C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(C(N)O)N=[N+]=[N-])O)O)O)O	CGF	c-(1-azido-alpha-d-glucopyranosyl) formamide
+c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@@H]([C@@H]2O)O)(C(=O)O)O)O)O	CGG	chlorogenic acid
+C1CCCC(CC1)NCC(=O)O	CGH	n-cycloheptylglycine
+Cc1nnc2n1-c3ccccc3COC2	CGJ	1-methyl-4h,6h-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@H](O4)S[C@](O5)(CCC(=O)O)O)O)O)O)N	CGK	3-[(2r,3ar,5r,6r,6ar)-5-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid
+C(CC(=O)NC(CSSCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N	CGL	cystine-glutathione
+CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\C)C	CGM	(4r,5s,6s,7r,9r,11e,13e,15s,16r)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-d-glucopyranoside
+C1CC(=O)N[C@@H]1C=O	CGN	5-oxo-pyrrolidine-2-carbaldehyde
+c1cc2c(cc(c(c2cc1)N)/N=N/c3ccc(cc3)c4ccc(cc4)/N=N/c5c(c6c(c(c5)S(=O)(=O)[O-][Na+])cccc6)N)S(=O)(=O)[O-][Na+]	CGO	sodium 3,3'-(1e,1'e)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N	CGP	2'-deoxycytidine-2'-deoxyguanosine-3',5'-monophosphate
+c1cc(cc(c1)C(=[NH2+])N)\C=N\N/C(=[NH+]/N=C/c2cccc(c2)C(=[NH2+])N)/N	CGQ	3-[c-[n'-(3-carbamimidoyl-benzylidenium)-hydrazino]-[[aminomethylidene]aminium]-iminomethyl]-benzamidinium
+C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3CN([C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(O1)O)O)O)O)C5=C3C(=O)NC(=N5)N)O)O	CGR	cyclic guanosine diphosphate-ribose
+CC(C)[C@H](C(=O)NO)[N@@](Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC	CGS	n-hydroxy-2(r)-[[(4-methoxyphenyl)sulfonyl](3-picolyl)amino]-3-methylbutanamide hydrochloride
+c1ccc(cc1)C/C(=N/OS(=O)(=O)O)/S[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	CGT	carba-glucotropaeolin
+C(C(C(=O)O)C(=O)O)[C@@H](C(=O)O)N	CGU	gamma-carboxy-glutamic acid
+C([C@@H](C(=O)O)N)S[C@H](C(=O)O)O	CGV	s-[(r)-carboxy(hydroxy)methyl]-l-cysteine
+C1C2=C(CS1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	CGW	(2~{s})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid
+CCc1c(nc(nc1N2CCCCC2)N)NC3CC3	CGX	n4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
+c1c(c(nc(c1N(O)O)N)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	CGY	(1r)-1,4-anhydro-2-deoxy-1-[2,6-diamino-5-(dihydroxyamino)pyridin-3-yl]-5-o-phosphono-d-erythro-pentitol
+C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	CH	n3-protonated cytidine-5'-monophosphate
+CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)C)OCCO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)OCCO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C	CH0	2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-o-alpha-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	CH1	3'-deoxy-cytidine-5'-triphosphate
+[CH2]	CH2	methylene group
+C	CH3	methyl group
+C(CNCC(CNCCN)C=O)N	CH4	3-[(2-aminoethyl)amino]-2-{[(2-aminoethyl)amino]methyl}propanal
+C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O	CH5	2-(((r)-2,3-dihydroxypropyl)phosphoryloxy)-n,n,n-trimethylethanaminium
+CSCC[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N	CH6	{(4z)-2-[(1s)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)C3=NCCCC3)CC(=O)O)O	CH7	[(4z)-4-(4-hydroxybenzylidene)-5-oxo-2-(3,4,5,6-tetrahydropyridin-2-yl)-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1ccc(cc1)Oc2ccc(cc2O)Cl	CH8	5-chloro-2-phenoxyphenol
+c1ccc(cc1)c2ccccc2O	CH9	2-hydroxybiphenyl
+C1CCC(CC1)C[C@@H](CO)N	CHA	1-hydroxy-2-amino-3-cyclohexylpropane
+c1cc(c(cc1C(=O)O)Cl)O	CHB	3-chloro-4-hydroxybenzoic acid
+CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O	CHC	6-ethyl-chenodeoxycholic acid
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	CHD	cholic acid
+C1CCC(CC1)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N	CHF	cyclohexylfluorostatone
+C1CCC(CC1)[C@@H](C(=O)O)N	CHG	cyclohexyl-glycine
+CC(=O)CCC[N+](C)(C)C	CHH	n,n,n-trimethyl-4-oxopentan-1-aminium
+c1cc(ccc1C[C@@H](C(=O)N2CCC(CC2)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl)F	CHI	5-chloro-1h-indole-2-carboxylic acid [1-(4-fluorobenzyl)-2-(4-hydroxypiperidin-1yl)-2-oxoethyl]amide
+CC1=CC(=O)Oc2c1ccc(c2)Oc3ccc(cc3O)Cl	CHJ	7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2h-chromen-2-one
+C1CCC(CC1)CC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O	CHK	6-[(cyclohexylacetyl)(2-hydroxyethyl)amino]-6-deoxy-d-xylo-hexitol
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O	CHL	chlorophyll b
+C(C(=O)CCl)Cl	CHM	1,3-dichloro-propan-2-one
+C1CC(CCC1CN)N	CHN	4-aminomethyl-cyclohexylamine
+C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	CHO	glycochenodeoxycholic acid
+c1cc(c(cc1[C@@H](C(=O)O)N)Cl)O	CHP	3-chloro-4-hydroxyphenylglycine
+c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2	CHQ	cyclo-(l-histidine-l-proline) inhibitor
+Cc1cc(cc2c1ccc(c2C(=O)O[C@@H]3C=C\4C#C[C@]5([C@H](O5)C#C\C=C4\[C@H]3O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)O)O)NC)[C@H]7COC(=O)O7)O)OC	CHR	neocarzinostatin-chromophore
+C1CCC(CC1)C[C@@H]([C@H](CC(=O)O)O)N	CHS	4-amino-5-cyclohexyl-3-hydroxy-pentanoic acid
+C[N+](C)(C)CCO	CHT	choline ion
+CC1=C(C(=O)Oc2c1ccc(c2)Oc3ncccn3)Cc4ccnc(c4F)NS(=O)(=O)NC	CHU	n-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2h-chromen-3-yl]methyl}pyridin-2-yl)-n'-methylsulfuric diamide
+c1cc2c(cc1O)OC(=O)C(=C2)Oc3ccc(cc3O)Cl	CHV	3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2h-chromen-2-one
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C=C(\C)/[C@H](C)O)O)C=O	CHW	3-chloro-4,6-dihydroxy-5-[(2e,6e,8s)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde
+C1CCCCC1	CHX	cyclohexane
+c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O	CHZ	1,8-dihydroxyanthracene-9,10-dione
+c1ccc(cc1)CS(=O)(=O)N2CCC[C@@](C2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O	CI1	(2z)-4-[(3s)-1-(benzylsulfonyl)-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C	CI2	(5beta)-pregnane-3,20-dione
+c1ccc(cc1)CN2CCC[C@@](C2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O	CI3	(2z)-4-[(3s)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid
+c1cc(c(c(c1)Cl)F)CN2Cc3ccc(c(c3C2=O)O)O	CI4	2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1h-isoindol-1-one
+c1cc(c(cc1N(O)O)N(O)O)NCCOCCOCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	CI9	n-({(1s)-5-[4-(13-{[2,4-bis(dihydroxyamino)phenyl]amino}-2,5,8,11-tetraoxatridec-1-yl)-1h-1,2,3-triazol-1-yl]-1-carboxypentyl}carbamoyl)-l-glutamic acid
+CN1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6	CIA	6-benzo[1,3]dioxol-5-yl-2-methyl-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
+CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C	CIB	2-acetylamino-4-methyl-pentanoic acid [1-(1-formyl-pentylcarbamoyl)-3-methyl-butyl]-amide
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC[C@@](CC(=O)O)(C(=O)O)O)O	CIC	citryl-thioether-coenzyme *a
+c1cc(ccc1c2c(n3ccsc3n2)\C=N\OCc4ccc(c(c4)Cl)Cl)Cl	CID	6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde o-(3,4-dichlorobenzyl)oxime
+CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)Cl)OC	CIE	2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester
+c1c(nc(cn1)Cl)N	CIG	2-amino-6-chloropyrazine
+C/C(=C(\C#N)/C(=O)Nc1ccc(c(c1)Cl)c2ccccc2Cl)/O	CIH	(2z)-2-cyano-n-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide
+CC(C)[C@@H](C(=O)Nc1ccncc1)NC(=O)C2CCCCC2	CII	n-[(1s)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
+c1cc(c(cc1CN2C(=O)c3ccc(c(c3C2=O)O)O)Cl)F	CIJ	2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1h-isoindole-1,3(2h)-dione
+CC1(C[C@@H]1C(=O)N/C(=C\CCCCSCC(C(=O)O)N)/C(=O)O)C	CIL	cilastatin
+c1cc(ccc1\C=C\C(=O)O)C(=O)O	CIN	4-carboxycinnamic acid
+COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N	CIO	cilomilast
+C1[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O[P@]1(=O)O)O)O)O)O	CIP	inositol-2-methylene-1,2-cyclic-monophosphate
+CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC	CIQ	2-cyclohexyl-6-methoxy-n-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
+C(C[C@@H](C(=O)O)N)CNC(=O)N	CIR	citrulline
+CCCCCCCCCCCCC\C=C\[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)O	CIS	(15z)-n-((1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-enyl)tetracos-15-enamide
+C(C(=O)O)C(CC(=O)O)(C(=O)O)O	CIT	citric acid
+c1cc(ccc1NC(=O)NC2CCCCC2)I	CIU	n-cyclohexyl-n'-(4-iodophenyl)urea
+c1cc(ccc1CC2=NC(=[N+](C2=O)CC(=O)N)[C@H](CCCCN)N)O	CIV	2-[2-[(1~{s})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide
+c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4	CIW	5-[(5-chloro-2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
+B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)(O)O	CIX	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(1r)-1-(dihydroxyboranyl)-3-methylbutyl]-l-leucinamide
+COc1cc(ccc1O)/C=C/C=O	CIY	(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
+C/C(=C/C(=O)O)/C(=O)O	CIZ	(~{z})-2-methylbut-2-enedioic acid
+CNc1cc(nc(n1)N)N2CCOCC2	CJ0	n4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
+c1cn(c2c1c(nc(n2)O)O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	CJ1	7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diol
+COc1ccc(cc1)Cn2c(c(nn2)O)C(=O)Nc3cccc(c3)C(F)(F)F	CJ2	3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{n}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide
+B1(c2ccccc2C=NN1C(=S)N)O	CJ3	1-hydroxy-2,3,1-benzodiazaborinine-2(1h)-carbothioamide
+CNCCCN(C)c1ncc(c(n1)N2CC(C2)C(=O)NCc3cnc4n3cccc4)F	CJ4	1-(5-fluoro-2-{methyl[3-(methylamino)propyl]amino}pyrimidin-4-yl)-n-[(imidazo[1,2-a]pyridin-3-yl)methyl]azetidine-3-carboxamide
+c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Nc3nccc(n3)Nc4cc([nH]n4)C5CCCC5)C(F)(F)F	CJ5	1-[4-[[4-[(5-cyclopentyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
+CN1CCN(CC1)c2cc(nc(n2)N)NC3CC3	CJ6	n4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
+Cn1c2ccc(cc2c3c1nc(nn3)SCCN4CCCCC4)F	CJ7	8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5h-[1,2,4]triazino[5,6-b]indole
+CCCNC(=O)[C@@H]([C@H](C(=O)NCCC)O)O	CJ8	(2~{r},3~{r})-2,3-bis(oxidanyl)-~{n},~{n}'-dipropyl-butanediamide
+c1c(nc(nc1N2CCCCC2)N)NC3CC3	CJ9	n4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
+CC(C)(C)C(=O)CSc1ncc2c(n1)-c3c(csc3SC)CC2	CJA	3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	CJB	1-beta-d-glucopyranosylpyrimidine-2,4(1h,3h)-dione
+CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nc4)N=CC(=O)N5)Cl	CJC	7-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1h)-one
+CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OC	CJD	5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(r)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2h)-one
+CCOC(=O)[C@H](C)C(=O)C	CJE	ethyl (2~{r})-2-methyl-3-oxidanylidene-butanoate
+c1c(nc(nc1N2CCOCC2)N)NC3CC3	CJF	n4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
+Cc1c(c(on1)C)c2cc(c3c(c2Cl)C(=O)N(CC3)CC4=C(C=C(NC4=O)C)C)Cl	CJG	5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2h)-one
+CCOc1cccc(c1)c2ccc(cc2)NC(=O)/C(=C(/C)\O)/C#N	CJH	(2z)-2-cyano-n-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide
+c1cc(sc1c2ncc(c(n2)Nc3cc([nH]n3)C4CC4)Cl)S(=O)(=O)N	CJJ	5-{5-chloro-4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide
+Cc1ccc(cc1)CNC(=O)Nc2cc(ccc2O)S(=O)(=O)N	CJK	1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
+c1c(nc(nc1N2CCN(CC2)C3COC3)N)NC4CC4	CJL	n4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
+CCn1cnc2c1nc(nc2NCc3[nH]c4ccc(c(c4n3)F)F)N5CCCC[C@H]5CCO	CJM	2-[(2s)-1-(6-{[(4,5-difluoro-1h-benzimidazol-2-yl)methyl]amino}-9-ethyl-9h-purin-2-yl)piperidin-2-yl]ethan-1-ol
+CC(C)n1ccc2c1c(ncn2)NC3CCC(CC3)N(C)C	CJN	~{n}4,~{n}4-dimethyl-~{n}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
+C[C@H]([C@@H](C1N[C@@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)N)O	CJO	[(2r,4r)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
+CS(=O)(=O)n1c2ccccc2c(c1c3ccc(cc3Cl)Cl)CN	CJP	1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1h-indol-3-yl]methanamine
+c1nc(c2c3c(sc2n1)CC[C@@H]3CC(=O)N)OC4CCC(CC4)N5CCOCC5	CJQ	2-[(3~{r})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide
+CNc1cc(nc(n1)N)N2CCN(CC2)C3COC3	CJR	n4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
+CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCC(CC4)C(=O)N	CJT	4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide
+CNc1cc(nc(n1)N)N2CCCCC2	CJU	n4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
+CN(C)CCCC(=O)N1CC(C1)S(=O)(=O)c2ccc(cc2)N3CC(C3)CN4CCC(CC4)[C@@](C#N)(c5cccc(c5)F)[C@H]6CCC[C@@H]6NC(=O)OC	CJV	methyl {(1s,2r)-2-[(s)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate
+c1cc(cc2c1cc(cc2)C(=O)O)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	CJW	6-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{h}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N	CJX	(2r,3s,4s,5r,6r)-2-(aminomethyl)-6-[(1r,2s,3s,4r,6s)-4,6-bis(azanyl)-3-[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol
+c1ccc2c(c1)cccc2OCCCc3c4ccccc4[nH]c3C(=O)O	CJY	3-{3-[(naphthalen-1-yl)oxy]propyl}-1h-indole-2-carboxylic acid
+c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl	CJZ	2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N	CK0	(2s,3r,4s,5s,6r)-2-[(1s,2s,3r,4s,6r)-3-[(2r,3r,4r,5s,6r)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
+c1cnc(nc1c2cc(sc2Cl)Cl)N	CK1	4-(2,5-dichlorothien-3-yl)pyrimidin-2-amine
+Cc1c(sc(n1)C)c2ccnc(n2)N	CK2	4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
+Cc1c(sc(n1)C)c2ccnc(n2)N\C=N/O	CK3	n-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-n'-hydroxyimidoformamide
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)C(F)(F)F	CK4	4-(2,4-dimethyl-1,3-thiazol-5-yl)-n-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)O	CK5	3-[4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol
+Cc1c(sc(n1)NC)c2ccnc(n2)Nc3ccc(cc3)O	CK6	4-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol
+Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-]	CK7	[4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine
+Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C	CK8	n-[4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-n',n'-dimethyl-benzene-1,4-diamine
+CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3O	CK9	2-{[(2-{[(1r)-1-(hydroxymethyl)propyl]amino}-9-isopropyl-9h-purin-6-yl)amino]methyl}phenol
+c1cc2c(cc1Cl)NC(=CC2=O)C(=O)O	CKA	7-chlorokynurenic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	CKB	1-beta-d-glucopyranosyl-5-methylpyrimidine-2,4(1h,3h)-dione
+CC(=O)[C@H](CCCCN)N	CKC	(3s)-3,7-diaminoheptan-2-one
+c1ccc(cc1)S(=O)(=O)N2CCNC[C@@H]2CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F	CKD	(s)-n-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
+CN1CCN(CC1)c2ccc(cc2)Cc3cc4cnc(nc4n3C5CCCCC5)CN	CKE	1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7h-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine
+c1c2c(nc(n1)N=C3C=CCC=C3)-c4c(c(nn4CC5CCNCC5)C(=O)N)CC2	CKG	8-(cyclohexa-2,5-dien-1-ylideneamino)-1-(piperidin-4-ylmethyl)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+Cc1c(c2ccccc2[nH]1)CCNC(=O)c3ccccc3F	CKH	2-fluoro-n-[2-(2-methyl-1h-indol-3-yl)ethyl]benzamide
+c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl	CKI	n-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
+CCCCNc1ncc2c(nn(c2n1)CC3CCC(CC3)N)c4ccc(cc4)F	CKJ	1-[(trans-4-aminocyclohexyl)methyl]-n-butyl-3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-6-amine
+c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3c4c(ccn4ncn3)CN5CCC(CC5)N)F	CKK	n-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide
+COc1c(ncnc1OC)NS(=O)(=O)c2ccc(cc2)NCC3=NC4=C(NC3)N=C(NC4=O)N	CKL	4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{h}-pteridin-6-yl)methylamino]-~{n}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
+C[C@@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F	CKM	n-(3-fluoro-2-{2-[(2s,6r)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
+C[C@H](CC(=O)N)c1ccn2c1c(ncn2)NC3CCC(CC3)N4CCN(CC4)C(=O)C	CKN	(3~{r})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide
+CN(C)C/C=C/C(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	CKO	e-4-(dimethylamino)-n-[3-[4-[[(1s)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide
+C([C@@H]1[C@H]([C@H]([C@@](O1)(C(=O)O)O)O)O)OP(=O)(O)O	CKP	6-o-phosphono-beta-d-psicofuranosonic acid
+c1cc(ccc1c2ccc(cc2)C(=O)O)c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	CKQ	4-[4-[5-[(2~{s},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{h}-1,2,4-triazol-3-yl]phenyl]benzoic acid
+c1c2c(cc3c1nc([nH]3)NCCN4CCOCC4)N=C(NC2=O)N	CKR	6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C[C@@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5	CKS	n-(3-fluoro-2-{2-[(2s,5r)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\CS)/C(=O)O)O	CKT	cys-ketimine
+CCCN1C[C@@H]([C@H]([C@@H](C1)O)O)C(=O)O	CKU	(3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid
+C[C@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5	CKV	n-(3-fluoro-2-{2-[(2s,5s)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
+c1ccc(cc1)c2ccc(cc2)c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	CKW	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
+CCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O	CKX	(2~{s},3~{s},4~{r},5~{r})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid
+C[C@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F	CKY	n-(3-fluoro-2-{2-[(2s,6s)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
+c1ccc-2c(c1)Cc3c2ccc(c3)c4[nH]c(nn4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	CKZ	(2~{s},3~{r},4~{r},5~{s},6~{r})-2-[5-(9~{h}-fluoren-2-yl)-4~{h}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
+[Cl-]	CL	chloride ion
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@@H](C(=O)c8c7C)C(=O)OC)C)C=C)C	CL0	chlorophyll a isomer
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C	CL1	alpha chlorophyll a
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C	CL2	beta chlorophyll a
+CC(=O)N(C)c1cccc(c1)c2nnc3n2nc(cc3)c4ccccc4	CL3	n-methyl-n-[3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenyl]acetamide
+c1c(cc(c(c1C(=O)NC\C=C\[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O)[N+](=O)[O-]	CL4	n-{3-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-allyl}-2,3-dihydroxy-5-nitro-benzamide
+C(CNCC(=O)O)C=O	CL5	n-(3-oxopropyl)glycine
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4	CL6	1-[(2-chlorophenyl)(diphenyl)methyl]-1h-imidazole
+CCC1=C(C2=Cc3c(c(c4n3[Mg]56N2C1=Cc7n5c8c(c7C)C(=O)[C@@H](C8=C9N6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C(=O)OC)C)C=O)C	CL7	chlorophyll d
+c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	CL8	chloramphenicol succinate
+c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)Cl)N	CL9	2-chloro-2'-deoxyadenosine
+CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C	CLA	chlorophyll a
+[B-]([C@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N	CLB	d-para-chlorophenyl-1-acetamidoboronic acid alanine
+CC(=O)N[C@H](CO)[C@@H](c1ccc(cc1)[N+](=O)[O-])O	CLC	n-acetyl-p-nitrophenylserinol
+[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N	CLD	d-para-chlorophenyl-1-acteamidoboronic acid alanine
+CC(C)C[C@@H](C(=O)N)N	CLE	leucine amide
+[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71	CLF	fe(8)-s(7) cluster
+C(CCNC(=O)CNC(=O)CON)C[C@@H](C(=O)O)N	CLG	2-amino-6-[2-(2-aminooxy-acetylamino)-acetylamino]-hexanoic acid
+C(CCNC(=O)CNC(=O)C=O)C[C@@H](C(=O)O)N	CLH	2-amino-6-[2-(2-oxo-acetylamino)-acetylamino]-hexanoic acid
+c1c(cc(c2c1[nH]c(c2CCC(=O)O)C(=O)O)Cl)Cl	CLI	3-(2-carboxy-ethyl)-4,6-dichloro-1h-indole-2-carboxylic acid
+Cc1c(c(c(c(c1I)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)OC)O)OC)OC)C(=O)S[C@@H]3[C@H](O[C@H](C[C@@H]3O)ON[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@H]5C#C/C=C\C#C[C@@]\6(CC(=O)C(=C5/C6=C\CSSSC)NC(=O)OC)O)C)C	CLJ	calicheamicin alpha3i
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N	CLK	alpha-n-dichloroacetyl-p-aminophenylserinol
+CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C	CLL	cholesteryl linoleate
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	CLM	chloramphenicol
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)[C@]9(C(C7=C2)C=CS9)C)C)CCC(=O)O	CLN	sulfur substituted protoporphyrin ix
+[Cl-]	CLO	chloro group
+[S]12[Fe]3[S]4[Fe]1S5([Fe]2[S]3[Fe]45)S67[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71	CLP	fe-s cluster
+CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl	CLQ	n4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	CLR	cholesterol
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3cccs3)SC1)C(=O)O	CLS	cephalothin
+c1ccc(cc1)CCCC(=O)O	CLT	4-phenyl-butanoic acid
+c1cc(c(c(c1)Cl)N=C2NCCN2)Cl	CLU	2,6-dichloro-n-imidazolidin-2-ylideneaniline
+C[C@@H](C1N=CC(=O)N1CC(=O)O)N	CLV	{(2s)-2-[(1s)-1-aminoethyl]-5-oxo-2,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc2c(cc1Cl)NC(=O)O2	CLW	chlorzoxazone
+C(=O)C(Cl)(Cl)Cl	CLX	tri-chloro-acetaldehyde
+CCC[C@@H]1C[C@H]([N@@](C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl	CLY	clindamycin
+c1cc2c(c(c1N)Cl(=O)=O)c(nc(n2)N)N	CLZ	5-chloryl-2,4,6-quinazolinetriamine
+CC(=O)O	CM	carboxymethyl group
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)OCC(=O)O	CM0	5-(carboxymethoxy) uridine-5'-monophosphate
+C[C@H]1CC(N[C@H]2CCCCN(C2=O)O[Fe@@]34Oc5ccccc5C6=N[C@@H](CO6)C(=O)N[C@@H](CCCCN(O3)C(O4)\C=C/CCCCCCC(=O)O)C(=O)O1)O	CM1	carboxymycobactin s
+c1ccc2c(c1)C3N[C@@H](CO3)C(=O)N[C@H]4CCCCN5C(O[Fe@](O2)(O5)ON6CCCC[C@@H](C6=O)NC(=O)CCOC4=O)\C=C/CCCCCCC(=O)O	CM2	carboxymycobactin t
+C[C@@H]1c2c(ccc(c2F)O)O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCCC5	CM3	(2r,3r,4s)-5-fluoro-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]chroman-6-ol
+C[C@@H]1c2cc(ccc2O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O	CM4	(2r,3r,4s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chroman-6-ol
+C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	CM5	5-cyclohexyl-1-pentyl-beta-d-maltoside
+c1ccc(cc1)[C@@H](C(=O)Nc2ccncc2)NS(=O)(=O)c3cccc4c3nsn4	CM6	(2s)-2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-n-pyridin-4-ylacetamide
+CCc1cn2c3c1cc(cc3[N@@](S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)C(F)(F)F)O	CM7	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1h-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
+CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O	CM8	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
+CC1CCC(CC1)C(=O)N[C@@H](CCSC)C(=O)Nc2ccncc2	CM9	cis-4-methyl-n-[(1s)-3-(methylsulfanyl)-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
+C(C[C@@H](C(=O)O)NCCC(=O)O)CNC(=N)N	CMA	n2-(carboxyethyl)-l-arginine
+Cc1cccc2c1cc(n2Cc3cccc(c3)C(=N)N)C(=O)NCc4cc(cc(c4)Cl)Cl	CMB	1-(3-carbamimidoylbenzyl)-n-(3,5-dichlorobenzyl)-4-methyl-1h-indole-2-carboxamide
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)O)O	CMC	carboxymethyl coenzyme *a
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[N@]6CCOC[C@@H]6C#N)O	CMD	3'-desamino-3'-(3-cyano-4-morpholinyl)-doxorubicin
+C(CSSC[C@@H](C(=O)O)N)O	CME	s,s-(2-hydroxyethyl)thiocysteine
+c1ccc(cc1)c2c(c3ccc(cc3n2CC(=O)N4CCOCC4)C(=O)O)C5CCCCC5	CMF	3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-1h-indole-6-carboxylic acid
+c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3	CMG	6-o-cyclohexylmethyl guanine
+C[Hg]SC[C@@H](C(=O)O)N	CMH	s-(methylmercury)-l-cysteine
+[H]/N=C(\c1cccc(c1)Cn2c3cccc(c3cc2C(=O)NCc4cc(cc(c4)C)C)C)/N	CMI	1-(3-carbamimidoyl-benzyl)-4-methyl-1h-indole-2-carboxylic acid 3,5-dimethyl-benzylamide
+CCCCCCCCCCCCCCCCCCCCCC[C@@H](C)CCCCCCCCCCCCCCCCCCC	CMJ	(20s)-20-methyldotetracontane
+C1[C@H]([C@H]([C@H](O[C@@]1(C(=O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)[C@@H](CO)O)O)O	CMK	cytidine 5'-monophosphate 3-deoxy-beta-d-gulo-oct-2-ulo-pyranosonic acid
+C([C@@H](C(=O)O)SC[C@@H](C(=O)O)N)C(=O)O	CML	(2s)-2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acid
+[H]/N=C(/N)\N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)CCc3cccc4c3[nH]cc4C(=O)C(=O)O)C(=O)OC	CMM	2-[2-(1-carbamimidoyl-piperidin-3-yl)-acetylamino]-3-{4-[2-(3-oxalyl-1h-indol-7-yl)ethyl]-phenyl}-propionic acid methyl ester
+C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO	CMN	(1r,2r,3s,6r)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
+[C-]#[O+]	CMO	carbon monoxide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N	CMP	adenosine-3',5'-cyclic-monophosphate
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)[C@H](C)O)NC(=O)OCc2ccccc2	CMQ	n~2~-[(benzyloxy)carbonyl]-n-[(1s,2s)-2-hydroxy-1-(4-hydroxybenzyl)propyl]-l-leucinamide
+C[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O	CMR	2'-deoxy-cytidine-5'-rp-monomethylphosphonate
+CN(CC(=O)O)C(=O)N	CMS	carbamoyl sarcosine
+COC(=O)[C@H](CS)N	CMT	o-methylcysteine
+[H]/N=C\1/CCCN1CC2=C(C(=O)NC(=O)N2)Cl	CMU	5-chloro-6-(1-(2-iminopyrrolidinyl) methyl) uracil
+CCN1CCN(C(=O)C1=O)N[C@H](c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	CMV	(2r,4s)-2-[(1r)-1-({(2r)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2	CMW	3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)O)O	CMX	carboxymethyldethia coenzyme *a
+C(CCCNC(=O)O)CCN	CMY	(6-aminohexyl)carbamic acid
+Cc1ccc(c(c1)OC[C@H](CN2CCOCC2)O)C	CMZ	(2s)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
+C#N	CN	cyanide
+C1[C@@H]([C@H]([C@@H]([C@H](N1)C(=O)O)O)O)O	CN0	(2~{s},3~{r},4~{r},5~{s})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid
+O[Fe](O)(O)[O@]1O[Fe]1(O)(O)O[Fe](O)(O)(O)O	CN1	oxo-iron cluster 2
+COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3[C@H](CC2)NC(=O)CS)OC	CN2	2-mercapto-n-[1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl]acetamide
+CCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCCCCCCC	CN3	(2r,5s,11r,14r)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate
+c1cc(c(c(c1)F)CC[C@H]2CN[C@@H]3CCCS(=O)(=O)N2C3)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F	CN4	n-(2-{2-[(6r,9s)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
+CCCCCCCCCCCCCCC(=O)OCCCO[P@](=O)(O)OC[C@H](CO[P@](=O)(O)OCCCOC(=O)C)O	CN5	(5s,11r)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate
+CCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCC	CN6	(2r,5r,11s,14r)-2-(butanoyloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate
+Cc1ccccc1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CCN6CCOCC6	CN7	7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1h-indole-2-carboxylic acid
+CCNC(=O)[C@@H]1C[C@@H](CN1)NC(=O)[C@H](Cc2cn(nn2)CCNC(=O)c3ccc(cc3)S)NC	CN8	(4s)-n-ethyl-4-{[n-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1h-1,2,3-triazol-4-yl)-l-alanyl]amino}-l-prolinamide
+Cc1c2c(ccn1)c3ccccc3[nH]2	CN9	1-methyl-9h-pyrido[3,4-b]indole
+c1cc(c[n+](c1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)N	CNA	carba-nicotinamide-adenine-dinucleotide
+O[Fe]1(O[Fe](O[Fe](O1)(O)(O)O)(O)(O)O)O	CNB	oxo-iron cluster 1
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5[C@]6([C@@]([C@@H](C7=[N]6[Co+2]89(N5C4=C(C1=[N]8C(=CC2=[N]9C(=C7C)[C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C([C@@H]1CCC(=O)N)(C)C)C)C#N)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O	CNC	cyanocobalamin
+c1c(c[nH+]cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	CND	5-beta-d-ribofuranosylnicotinamide adenine dinucleotide
+CCOc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc2c(cccc2Cl)F)\C=C\C(=O)OC	CNE	(3s)-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-{[n-({2-ethoxy-5-[(1e)-3-methoxy-3-oxoprop-1-enyl]phenyl}acetyl)-d-valyl]amino}-4-oxopentanoic acid
+O[Fe]1(O[Fe]2([O@@]1[Fe](O2)(O)(O)(O)O)(O)O)(O)O	CNF	oxo-iron cluster 3
+C1CCCC(CCC1)NCC(=O)O	CNG	n-cyclooctylglycine
+CC(C)(C#N)O	CNH	2-hydroxy-2-methylpropanenitrile
+C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N	CNI	7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile
+c1ccc2c(c1)cccc2c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	CNK	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{h}-1,2,4-triazol-3-yl)oxane-3,4,5-triol
+CC1(C2CCC(O1)(CC2)C)C	CNL	1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
+CC(=O)N	CNM	acetamide
+C(#N)N	CNN	cyanamide
+CC(C)(C(=O)O)Oc1ccc(cc1)CC(=O)Nc2cccc(c2)NC(=O)Cc3ccc(cc3)OC(C)(C)C(=O)O	CNO	2-{4-[(3{2-[4-(1-carboxy-1-methyl-ethoxy)-phenyl]-acetylamino}-phenylcarbamoyl)-methyl]-phenoxy}-2-methyl-propionic acid
+CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(CC=C)C(=O)O)O	CNP	2-propenyl-n-acetyl-neuraminic acid
+c1cc(c2c(c1)ncc(n2)c3ccc(cc3)Cl)C(=O)N	CNQ	3-(4-chlorophenyl)quinoxaline-5-carboxamide
+C[C@@H](C(=O)O)Cl	CNR	(2s)-2-chloropropanoic acid
+CCCCCCCCCCCCCCCCOC(=O)CCCCCCC	CNS	hexadecyl octanoate
+CN[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O	CNT	n-methyl-meta-chloro-tyrosine
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N	CNU	5-cyano-uridine-5'-monophosphate
+CCC#N	CNV	propanenitrile
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N	CNW	7-diethylamino-2-oxo-chromene-3-carboxamide
+CCCCCCC#N	CNX	heptanenitrile
+C1[C@H]([C@@H]([C@@H]2[C@@H]([C@H]1N)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)NC[C@@H]4[C@H]([C@H]([C@@H](O4)O2)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)N	CNY	13,15-diamino-2-(aminomethyl)-3,4,9,12-tetrahydroxyhexadecahydro-2h-7,10-epoxypyrano[2,3-b][1,10,4]benzodioxazacyclododecin-8-yl 2,6-diamino-2,6-dideoxyhexopyranoside
+c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+]	CNZ	l-gamma-glutamyl-s-(2-biphenyl-4-yl-2-oxoethyl)-l-cysteinylglycine
+[Co+2]	CO	cobalt (ii) ion
+CN1/C(=C\c2ccccc2)/C(=O)Nc3ccccc3C1=O	CO0	(3~{z})-4-methyl-3-(phenylmethylidene)-1~{h}-1,4-benzodiazepine-2,5-dione
+C[C@H](CC[C@H]1C(O1)(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C	CO1	17-[3-(3,3-dimethyl-oxiranyl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyc lopenta[a]phenanthren-3-ol
+C(=O)=O	CO2	carbon dioxide
+C(=O)([O-])[O-]	CO3	carbonate ion
+Cc1c(cnc2c1c(nc(n2)N)N)C[N@@](C)c3cc(c(c(c3)OC)OC)OC	CO4	2,4-diamino-5-methyl-6-[(3,4,5-trimethoxy-n-methylanilino)methyl]pyrido[2,3-d]pyrimidine
+[OH2][Co+3]([OH2])([OH2])([OH2])[OH2]	CO5	cobalt ion,5 waters coordinated
+CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CO6	isobutyryl-coenzyme a
+C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O	CO7	s-{(9r,13r,15s)-17-[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2e)-but-2-enethioate
+CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CO8	octanoyl-coenzyme a
+C[C@@H](c1nc(co1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)N	CO9	1-({2-[(1s)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)-l-prolyl-l-tryptophan
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	COA	coenzyme a
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5=[N-]6C4=C(C7=[N]8[Co+2]69([N]1=C(C=C8C([C@@H]7CCC(=O)N)(C)C)[C@H]([C@](C1=C(C1=[N]9[C@@]5([C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C)C)(C)CC(=O)N)CCC(=O)N)C)C)CC(=O)N)C)O	COB	co-methylcobalamin
+C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC	COC	cocaine
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O	COD	dephospho coenzyme a
+C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	COE	furo[2,3d]pyrimidine antifolate
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)C(F)(F)F)O	COF	trifluoroacetonyl coenzyme a
+CN(Cc1cc(ccc1OC)OC)c2ccc3c(c2)c(nc(n3)N)N	COG	2,4-diamino-6-[n-(2',5'-dimethoxybenzyl)-n-methylamino]quinazoline
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O	COH	protoporphyrin ix containing co
+CC(C)CC(=O)C(=O)O	COI	2-oxo-4-methylpentanoic acid
+C/C/1=C/2\[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@](C(=N3)/C(=C\4/[C@@H](C(C(=N4)\C=C/5\[C@H]([C@](C1=N5)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O)/C)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O	COJ	hydrogenobyrinic acid
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCO)O	COK	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-4-{[3-({2-[(2-hydroxyethyl)dithio]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
+C1CSCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O	COL	2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]thiopyran-3-carboxylic acid
+C(CS(=O)(=O)O)S	COM	1-thioethanesulfonic acid
+[NH3][Co+3]([NH3])([NH3])[NH3]	CON	cobalt tetraammine ion
+CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	COO	crotonyl coenzyme a
+c1ccc(c(c1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N)C(=O)O	COP	n-(4-carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid
+CN(Cc1cc(cc(c1)OC)OC)c2cc3c(nc(nc3nc2)N)N	COQ	2,4-diamino-6-[n-(3',5'-dimethoxybenzyl)-n-methylamino]pyrido[2,3-d]pyrimidine
+c1ccc(cc1)C[C@@H](C([C@H](Cc2ccccc2)N)O)N	COR	2,4-diamino-1,5-diphenyl-3-hydroxypentane
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSS)O	COS	coenzyme a persulfide
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cccc5)O	COT	coa-s-acetyl tryptamine
+c1ccc2c(c1)C=CC(=O)O2	COU	coumarin
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@@H](CO4)CC(C)(C)O)C	COV	(1s,3r,5z,7e,14beta,17alpha)-17-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OCC1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4N)O	COW	anthraniloyl-coenzyme a
+Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N	COX	4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C7=C([C@H]8[C@@]([C@@H](C9=CC1C([C@@H](C2=C(C4[N-]5[Co+2](N12)(N89)(N76)CCCCCn1cnc2c1ncnc2N)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O	COY	co-(adenin-9-yl-pentyl)-cobalamin
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O	COZ	coenzyme a
+C(=O)(N)OP(=O)(O)O	CP	phosphoric acid mono(formamide)ester
+CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7	CP0	(4s)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate
+CNCCN(CC(=O)O)C(=O)CN1C=CC(=NC1=O)N	CP1	2-(methylamino)-ethylglycine-carbonylmethylene-cytosine
+C[C@@H](CCl)Cl	CP2	1,2-dichloro-propane
+Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)C)CCC(=O)O)CCC(=O)O)C)CCC(=O)O)C	CP3	coproporphyrinogen iii
+c1cc2c(cc1Cl)cc([nH]2)C(=O)NCCOCCOCCNC(=O)c3cc4cc(ccc4[nH]3)Cl	CP4	bis[5-chloro-1h-indol-2-yl-carbonyl-aminoethyl]-ethylene glycol
+c1ccc(cc1)/C(=C/OP(=O)=O)/C(=O)[O-]	CP5	(2z)-3-{[oxido(oxo)phosphino]oxy}-2-phenylacrylate
+CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl	CP6	5-(4-chloro-phenyl)-6-ethyl-pyrimidine-2,4-diamine
+CCc1c(c(nc(n1)N)N)c2ccccc2	CP7	6-ethyl-5-phenylpyrimidine-2,4-diamine
+C[N@@]1c2ccc(cc2CS1(=O)=O)[C@H]3CN(C(=O)CO3)Cc4ccccc4	CP8	2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl) ethyl-4-(4'-ethoxy [1,1'-biphenyl]-4-yl)-4-oxobutanoic acid
+Cc1nc2cnccc2n1c3ccc(cc3)CN4c5ccccc5SC4=O	CP9	3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)benzyl]-3h-benzothiazol-2-one
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)N)O)N	CPA	2'-deoxycytidine-2'-deoxyadenosine-3',5'-monophosphate
+C[N@]1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O	CPB	2-(2-chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-4-yl)-4h-benzopyran-4-one
+C[C@H]1C[C@]1(C(=O)O)NC	CPC	2-methyl-1-methylamino-cyclopropane carboxylic acid
+CCNC(=O)N(CCCN(C)C)[P@](=O)(Cc1ccc(cc1)NC(=O)C(F)(F)F)O[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(=O)C(Cl)Cl	CPD	[1-(3-dimethylamino-propyl)-3-ethyl-ureido]-[4-(2,2,2-trifluoro-acetylamino)-benzyl]phosphinic acid-2-(2,2-dihydro-acetylamino)-3-hydroxy-1-(4-nitrophenyl)-propyl ester
+c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4	CPF	1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	CPG	guanosine-5'-phosphate
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O)O	CPH	(1s)-5-deoxy-1-o-methyl-1-c-[(2r,3s)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-d-xylulose
+C1CCN[C@H](C1)C(=O)O	CPI	6-carboxypiperidine
+CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O	CPJ	bis-1,2-{[(z)-2-carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane
+CC1(OCC(CO1)OC(=O)N2CCN(CC2)C(=O)OC3COC(OC3)(C)C(=O)O)C(=O)O	CPK	bis-1,2-{[(z)-2carboxy-2-methyl-1,3-dioxane]-5-yloxycarbonyl}-piperazine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	CPL	1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine
+CS(=N)(=N)C[C@@H](Cc1ccccc1)C(=O)O	CPM	s-(2-carboxy-3-phenylpropyl)thiodiimine-s-methane
+C1=CN(C(=O)N=C1N)CC(=O)N(CC[NH3+])CC(=O)O	CPN	2-aminoethylglycine-carbonylmethylene-cytosine
+C/C/1=C\C2=O[Fe]345(O=C(N(O3)CCC[C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)C=C(C)CCO)O=C(N(O5)CCC[C@H](C(=O)OCC1)NC(=O)C)C=C(C)CCO	CPO	coprogen
+C[C@@H](CC1CC1)C=O	CPP	2-cyclopropylmethylenepropanal
+C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	CPQ	n,n-bis(3-d-gluconamidopropyl)deoxycholamide
+c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)Cl	CPR	6-chloropurine riboside, 5'-monophosphate
+C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	CPS	3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate
+[NH3][Pt]([NH3])(Cl)Cl	CPT	cisplatin
+c1ccc(cc1)CCCNC(=O)NC2CCCCC2	CPU	n-cyclohexyl-n'-(propyl)phenyl urea
+CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O	CPV	5-amino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid
+C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	CPW	(s)-2-amino-3-(1,3,5,7-pentahydro-2,4-dioxo-cyclopenta[e]pyrimidin-1-yl) proionic acid
+CC(C)[C@@H](C(=O)N1CC[C@@H]([C@H]1C2(CCC2)C=O)NC(=O)C3CC3)NC(=O)NC4CCCC4	CPX	n-[(2r,3s)-1-((2s)-2-{[(cyclopentylamino)carbonyl]amino}-3-methylbutanoyl)-2-(1-formyl-1-cyclobutyl)pyrrolidinyl]cyclopropanecarboxamide
+C1CCC(CC1)C[C@@H]([C@H](CN2C=CC=CC2=O)O)N	CPY	1-(3-amino-4-cyclohexyl-2-hydroxybutyl)pyridin-2(1h)-one
+c1cc(ccc1c2cnc[nH]2)Cl	CPZ	4-(4-chlorophenyl)imidazole
+Cc1ccc(cc1c2ccn3c(c2)nnc3C(C)(C)C)C(=O)NC4CC4	CQ0	3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-n-cyclopropyl-4-methylbenzamide
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N=[N+]=[N-])/C(=O)N1CC(=O)O)N)O	CQ1	[(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-azidobenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N)/C(=O)N1CC(=O)O)N)O	CQ2	{(4z)-4-(4-aminobenzylidene)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)NC3CCOCC3)Cl	CQ3	n-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
+[O-][Cr](=O)(=O)[O-]	CQ4	chromate
+C[C@H](CC(=O)N1CCC(CC1)(CN2C=NC(=CC2=O)NCCN3CCCC3)O)c4ccccc4	CQ5	3-[[4-oxidanyl-1-[(3~{r})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one
+CCS(=O)(=O)N1CCc2cnc(nc2C1)NC3CCOCC3	CQ6	7-ethylsulfonyl-n-(oxan-4-yl)-6,8-dihydro-5h-pyrido[3,4-d]pyrimidin-2-amine
+Cc1nc2ccc(cc2o1)c3c[nH]c4c3c(nc(n4)Nc5ccc(cc5OC)C(=O)NC)OC6CCCC6	CQ7	4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-n-methylbenzamide
+CNC(=O)c1ccccc1Nc2cc(ncc2Cl)NC3CCOCC3	CQ8	2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-n-methyl-benzamide
+CN1C(=O)c2ccccc2NC(=O)[C@]13[C@@H](O3)c4ccccc4	CQ9	(3~{r},3'~{s})-4-methyl-3'-phenyl-spiro[1~{h}-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
+CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl	CQA	4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol
+CC(C)C[C@@H](C(=O)O)NC(=O)O[C@@H](CCC(=O)O)C(=O)O	CQB	(2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid
+CC\1=NN(C(=O)/C1=C(/c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)\O)C	CQC	5-[(~{z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione
+c1cc2c(nc1)C(=O)C(=C(C2=O)Cl)NCCN3CCOCC3	CQD	6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione
+CC(=O)Nc1cc(ccn1)c2c(nc(s2)C3CCN(CC3)C4CC4)c5cccc(c5F)NS(=O)(=O)c6cc(ccc6F)F	CQE	n-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide
+Cc1nnc2n1-c3ccc(cc3[C@@H](CC2)Nc4ccc(cc4)Cl)c5cnn(c5)C	CQF	(6~{r})-~{n}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{h}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
+c1cnccc1O	CQG	pyridin-4-ol
+CCCc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)CC3=[S+]C(=O)N=C3[O-]	CQH	5-[[4-[[(2~{s})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCC	CQI	[(2~{s},3~{s},4~{s},5~{r},6~{s})-6-[(2~{s})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
+Cc1ccnc(c1)O	CQJ	4-methylpyridin-2-ol
+c1cnc(cc1c2n[nH]nn2)C(=O)NO	CQK	~{n}-oxidanyl-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
+c1cc2c(cc(c(c2nc1)O)I)Cl	CQL	5-chloro-7-iodoquinolin-8-ol
+C[C@](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(C(=O)O)O	CQM	citramalyl-coa
+CC(C)COC[C@@H](CN(Cc1ccccc1)c2ccccc2)N3CCCC3	CQN	bepridil
+COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN	CQO	3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine
+c1cc2cnccc2c(c1)S(=O)(=O)NC[C@@H]3C[C@H](CN3)OCc4ccc(cc4)Cl	CQP	(4r,2s)-5'-(4-(4-chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
+CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4	CQQ	4-{[4-(dimethylamino)butanoyl]amino}-n-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)O	CQR	[(4z)-2-(aminomethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1cc(ccc1CCNC(=O)Cn2cnc3c2ncnc3N)S(=O)(=O)N	CQS	2-(6-amino-9h-purin-9-yl)-n-[2-(4-sulfamoylphenyl)ethyl]acetamide
+c1cnc(cc1c2n[nH]nn2)C(=O)NCCCN3CCOCC3	CQT	~{n}-(3-morpholin-4-ylpropyl)-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
+Cc1[nH]c(nn1)c2ccccc2Nc3c4cc[nH]c4ncn3	CQU	n-[2-(5-methyl-4h-1,2,4-triazol-3-yl)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CCCCc1ccc(nc1)C(=O)O	CQV	5-butylpyridine-2-carboxylic acid
+c1c(c2c([nH]1)ncnc2[N@]3CCc4c(nc[nH]4)C3)Cl	CQW	5-(5-chloro-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine
+CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	CQX	(2s,3s,4s,5s,6r)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
+CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC4)[N+](=O)[O-]	CQY	(3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone
+c1cnc(cc1C(=O)O)NCCCO	CQZ	2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid
+[Cr+3]	CR	chromium ion
+CC(C)CC1=N[C@@](N(C1=O)CC=O)([C@H]([C@@H](C)O)N)O	CR0	[2-(1-amino-2-hydroxypropyl)-2-hydroxy-4-isobutyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl]acetaldehyde
+COC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	CR1	n-(methoxycarbonyl)-beta-d-glucopyranosylamine
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)O	CR2	{(4z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N	CR3	2-{5-[amino(iminio)methyl]-1h-indol-2-yl}-6-(cyclopentyloxy)benzenolate
+c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-]	CR4	2-{5-[amino(iminio)methyl]-1h-benzimidazol-2-yl}benzenolate
+C(C(=O)O)[N+]1=C(C(=O)N[C@@]1(CN)O)O	CR5	(2r)-2-(aminomethyl)-2,4-dihydroxy-5-oxo-3-(2-oxoethyl)-2,5-dihydro-1h-imidazol-3-ium
+CC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N	CR6	1-deoxy-1-acetylamino-beta-d-gluco-2-heptulopyranosonamide
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CCCCN)N)CC(=O)O)O	CR7	[(4z)-2-[(1s)-1,5-diaminopentyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1c([nH]cn1)C[C@@H](c2nc(c(n2CC(=O)O)[O-])C=C3C=CC(=O)C=C3)N	CR8	2-[1-amino-2-(1h-imidazol-5-yl)ethyl]-1-(carboxymethyl)-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1h-imidazol-5-olate
+C[C@H]1CCCC[C@@H]1Oc2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)F	CR9	2-{5-[amino(iminio)methyl]-6-fluoro-1h-benzimidazol-2-yl}-6-[(2-methylcyclohexyl)oxy]benzenolate
+COC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N	CRA	1-deoxy-1-methoxycarbamido-beta-d-gluco-2-heptulopyranosonamide
+C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O	CRB	[1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid
+CCCCCCCCCC(=O)O	CRC	capric acid
+C\C=C\C=O	CRD	(2e)-but-2-enal
+CC1=CCCC(=CC[C@@H](CC1)C(=C)C)C	CRE	germacrene a
+C[C@H]([C@@H](C1=NC(=Cc2c[nH]c3c2cccc3)C(=O)N1CC(=O)O)N)O	CRF	[(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(1h-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C[C@H]([C@@H](C1=N/C(=C\c2c[nH]cn2)/C(=O)N1CC(=O)O)N)O	CRG	[2-(1-amino-2-hydroxy-propyl)-4-(3h-imidazol-4-ylmethylene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid
+Cc1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC	CRH	1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihyroxy-7-methylanthracene
+Cc1ccc(cc1)C(=O)Nc2cc(cc(c2)C(=O)N(C)C)c3ccc(cc3)C(=O)NO	CRI	5-(4-methyl-benzoylamino)-biphenyl-3,4'-dicarboxylic acid 3-dimethylamide-4'-hydroxyamide
+c1cc(ccc1[C@@H](C(F)(F)F)N[C@@H](CS(=O)(=O)C[C@@H]2CCC(=O)N2)C(=O)NC3(CC3)C#N)F	CRJ	n-(1-cyanocyclopropyl)-3-({[(2s)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)eth yl]-l-alaninamide
+CSCCC(=O)C1=N/C(=C/c2ccc(cc2)[O-])/C(=O)N1CC=O	CRK	4-{(z)-[2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4h-imidazol-4-ylidene]methyl}benzenolate
+C[Si](C)(C)C[C@@H](C(=O)NC1(CCS(=O)(=O)CC1)C#N)NC(=O)N2CCOCC2	CRL	n-{(1r)-2-[(4-cyano-1,1-dioxidotetrahydro-2h-thiopyran-4-yl)amino]-2-oxo-1-[(trimethylsilyl)methyl]ethyl}morpholine-4-carboxamide
+C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O	CRM	3-[8-((2s,3s,4r)-2,3,4,5-tetrahydroxypentyl)-2,4,7-trioxo-1,3,8-trihydropteridin-6-yl]propanoic acid
+CN(CC(=O)O)C(=N)N	CRN	n-[(e)-amino(imino)methyl]-n-methylglycine
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N)O	CRO	{2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl	CRP	((1rs,3sr)-2,2-dichloro-n-[(r)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)C(=N)CCC(=O)N)CC(=O)O)O	CRQ	[2-(3-carbamoyl-1-imino-propyl)-4-(4-hydroxy-benzylidene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid
+c1ccc2c(c1)c(c[nH]2)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5	CRR	3,4-di-1h-indol-3-yl-1h-pyrrole-2,5-dicarboxylic acid
+Cc1cccc(c1)O	CRS	m-cresol
+C/C(=C\C=C\C(=C\C=C\C(=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)\C)\C)/C=CCC(C)(C)OC	CRT	spirilloxanthin
+[H]/N=C(/CCC(=O)O)\C1=N/C(=C/c2ccc(cc2)O)/C(=O)N1CC(=O)O	CRU	4-[(4z)-1-(carboxymethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-2-yl]-4-iminobutanoic acid
+c1ccc(cc1)CS(=O)(=O)C[C@@H](C(=O)NC2(CC2)CN)N[C@@H](c3ccc(cc3)O)C(F)(F)F	CRV	n-[1-(aminomethyl)cyclopropyl]-3-(benzylsulfonyl)-n~2~-[(1s)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]-l-alaninamide
+C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N	CRW	[2-(1-aminoethyl)-4-methylene-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C[C@@H]([C@]1(NC(=C)C(=O)N1CC(=O)O)O)N	CRX	[2-(1-aminoethyl)-2-hydroxy-4-methylene-5-oxoimidazolidin-1-yl]acetic acid
+C(C(CO)O)O	CRY	propane-1,2,3-triol
+c1ccc2c(c1)c3ccccc3n2CCCC(=O)O	CRZ	4-(9h-carbazol-9-yl)butanoic acid
+[Cs+]	CS	cesium ion
+C(CSC[C@@H](C(=O)O)N)O	CS0	s-(2-hydroxyethyl)-l-cysteine
+c1ccc(c(c1)N)SSC[C@@H](C(=O)O)N	CS1	s-(2-anilinyl-sulfanyl)-cysteine
+C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O	CS2	d-mannonic acid
+c1cc(sc1)C(=O)CCSC[C@@H](C(=O)O)N	CS3	s-[3-oxo-3-(2-thienyl)propyl]-l-cysteine
+c1cc(c(cc1C(=O)CCSC[C@@H](C(=O)O)N)Cl)Cl	CS4	s-[3-(3,4-dichlorophenyl)-3-oxopropyl]-l-cysteine
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C	CS5	n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-methyl-n,n-dipropylisophthalamide
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)OCc4ccccc4)O)C	CS7	n'-[(1s,2r)-2-[(2r,4r)-4-(benzyloxy)pyrrolidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylisophthalamide
+CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	CS8	3-thiaoctanoyl-coenzyme a
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)Oc4ccccc4)O)C	CS9	n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl}-5-methyl-n,n-dipropylisophthalamide
+CC(=O)CSC[C@@H](C(=O)O)N	CSA	s-acetonylcysteine
+C([C@@H](C(=O)O)N)S[Pb+]	CSB	cys bound to lead ion
+CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)[NH3+])SC1)C(=O)O	CSC	4-(3-acetoxymethyl-2-carboxy-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-7-ylcarbamoyl)-1-carboxy-butyl-ammonium
+C([C@@H](C(=O)O)N)[S@@](=O)O	CSD	3-sulfinoalanine
+C([C@@H](C(=O)O)N)[SeH]	CSE	selenocysteine
+CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O	CSF	cytidine-5'-monophosphate-3-fluoro-n-acetyl-neuraminic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N	CSG	2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)
+c1c(nc[nH]1)CC2C(=O)N(C(N2)[C@H](CO)N)CC(=O)O	CSH	[2-(2-hydroxy-1-methyl-ethyl)-4-(1h-imidazol-4-ylmethyl)-5-oxo-imidazolidin-1-yl]-acetic acid
+[H]/N=C\1/NCC[C@@H](N1)[C@@H](C(=O)O)NC(=O)O	CSI	amino-(2-imino-hexahydro-pyrimidin-4-yl)-acetic acid
+c1ccc(c(c1)C(=O)SC[C@@H](C(=O)O)N)N	CSJ	s-[(2-aminophenyl)carbonyl]-l-cysteine
+C[Se]SC[C@@H](C(=O)O)N	CSK	s-(methylselanyl)-l-cysteine
+C[Se][C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	CSL	(d)-2'-methylselenyl-2'-deoxycytidine-5'-phosphate
+COC[C@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	CSM	1-{2,5-anhydro-6-o-methyl-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione
+c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O	CSN	n,4-dihydroxy-n-oxo-3-(sulfooxy)benzenaminium
+C([C@@H](C(=O)O)N)SO	CSO	s-hydroxycysteine
+C([C@@H](C(=O)O)N)SP(=O)(O)O	CSP	s-phosphocysteine
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[P@@](=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)S)O	CSQ	o-[(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] o-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (r)-phosphorothioate
+C([C@@H](C(=O)O)N)S[As](=O)(O)O	CSR	s-arsonocysteine
+C([C@@H](C(=O)O)N)SS	CSS	s-mercaptocysteine
+C([C@@H](C(=O)O)N)SS(=O)(=O)O	CSU	cysteine-s-sulfonic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[P@](=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)S)O	CSV	o-[(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] o-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (s)-phosphorothioate
+C([C@@H](C(=O)O)N)S(=O)O	CSW	cysteine-s-dioxide
+C([C@@H](C(=O)O)N)[S@H]=O	CSX	s-oxy cysteine
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O	CSY	[(4z)-2-[(1r)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C([C@@H](C(=O)O)N)S[SeH]	CSZ	s-selanyl cysteine
+c1csc(n1)NC(=O)C(=O)NC2CCCC2	CT0	n1-cyclopentyl-n2-(thiazol-2-yl)oxalamide
+CCCC[C@@H](C=O)NC(=O)O[C@H](Cc1ccccc1)C(C)C	CT1	(1r)-2-methyl-1-(phenylmethyl)propyl[(1s)-1-formylpentyl]carbamate
+CCCC[C@@H](C=O)NC(=O)OC1(CCCC1)Cc2ccccc2	CT2	1-(phenylmethyl)cyclopentyl[(1s)-1-formylpentyl]carbamate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	CT3	beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranose
+CN/C(=N\[N+](=O)[O-])/NCc1cnc(s1)Cl	CT4	1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
+CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccc4c(c3)OCCO4	CT5	4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1h-pyrazol-5-yl]-6-ethylbenzene-1,3-diol
+c1cc(cc(c1)Br)c2cc(n3c(n2)ccn3)NCc4ccncc4	CT6	(5z)-5-(3-bromocyclohexa-2,5-dien-1-ylidene)-n-(pyridin-4-ylmethyl)-1,5-dihydropyrazolo[1,5-a]pyrimidin-7-amine
+CS(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncc3)Cl	CT7	(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-(4-methanesulfonylphenyl)amine
+c1cc(cc(c1)Br)c2cc([n+]3c(n2)nc[nH]3)NCc4ccncc4	CT8	(5z)-5-(3-bromocyclohexa-2,5-dien-1-ylidene)-n-(pyridin-4-ylmethyl)-1,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CC(C)c1cnn2c1nc(cc2Nc3ccc(cc3)S(=O)(=O)N(C)C)NC4CCC(CC4)N	CT9	4-[5-(trans-4-aminocyclohexylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-7-ylamino]-n,n-dimethylbenzenesulfonamide
+c1ccc(cc1)C[C@@H]2C(=O)N[C@H](\C=C\C(=O)NC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)C(=O)N2)CCCNC(=N)N)NC=O)Cc4ccc(cc4)O	CTA	cyclotheonamide a
+B(CNC(=O)Cc1cccs1)(O)O	CTB	n-2-thiophen-2-yl-acetamide boronic acid
+C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O	CTC	7-chlorotetracycline
+C1=CN(C(=O)C=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	CTD	3-deazacytidine
+c1cc2c(c[nH]c2c(c1)Cl)C[C@@H](C(=O)O)N	CTE	7-chlorotryptophan
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2CC#N)OS(=O)(=O)N)OC	CTF	(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate
+C[C@]1([C@@H](N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O)O	CTG	(5r,6s)-5,6-dihydro-5,6-dihydroxythymidine-5'-monophosphate
+C([C@H]([C@@H](C(=O)O)N)O)Cl	CTH	4-chlorothreonine
+C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5	CTI	1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O	CTJ	1-({(2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2h-1,3-thiazin-5-yl}methyl)pyridinium
+CS(=O)(=O)NCCNc1cc(ccn1)C(=O)O	CTK	2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid
+c1ccc2c(c1)CC[C@@H]([C@@H]2O)N	CTL	cis-(1r,2s)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
+CCO[C@@H](Cc1ccc(cc1C)OCc2csc(n2)c3ccc(cc3)Cl)C(=O)O	CTM	(2s)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	CTN	4-amino-1-beta-d-ribofuranosyl-2(1h)-pyrimidinone
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)NC(=O)C)O	CTO	triacetylchitotriose
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O	CTP	cytidine-5'-triphosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	CTR	cellotriose
+C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O	CTS	castanospermine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O	CTT	beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranose
+C/C(=C\1/c2ccc(cc2COc3c1ccc(c3)F)Cc4c(nc5n4cccc5Cl)C6CC6)/C7=NOC(=O)N7	CTU	3-[(1~{e})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{h}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{h}-1,2,4-oxadiazol-5-one
+CC(=CCC/C(=C\C#N)/C)C	CTV	(2z)-3,7-dimethylocta-2,6-dienenitrile
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F	CTW	n-(4-fluorobenzoyl)-l-gamma-glutamyl-5-{[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-l-norvaline
+CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3	CTX	(z)-2-[4-(1,2)-diphenyl-1-butenyl)-phenoxy]-n,n-dimethylethanamine
+CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O	CTY	clarithromycin
+c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)O)c5ccc(cc5)O	CTZ	c2-hydroxy-coelenterazine
+[Cu+2]	CU	copper (ii) ion
+C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)O	CU0	[(2~{r},3~{s},4~{s})-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
+[Cu+]	CU1	copper (i) ion
+[Cu+3]	CU3	copper (iii) ion
+CS(=O)(=O)c1ccc(cc1)c2c(cn(n2)c3ccc(cc3)C#N)C(=O)Nc4cccc(c4)F	CU4	1-(4-cyanophenyl)-n-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide
+COc1c(cc(c2c1O[C@@H](CC2=O)c3ccccc3)O)O	CU5	s-dihydrowogonin
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)([O])[O])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	CU6	[cuii(biot-et-dpea)]2+
+C([C@H](COP(=O)(O)OC[C@H](CO)O)O)O	CU7	(2r)-2,3-dihydroxypropyl (2s)-2,3-dihydroxypropyl hydrogen phosphate
+Cc1cccc(c1)c2ccnc3n2ncc3C(=O)N	CU8	7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+C[N+]1(CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5OC)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)OC)(C)C)OC)C	CU9	6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium
+[Cu][Cu]	CUA	dinuclear copper ion
+CCCCN([C@@]12O[Mo+4]1(=O)S2)[Cu+]	CUB	cu(i)-s-mo(iv)(=o)o-nbic cluster
+C1CCC(CC1)[C@@H](C(=O)O)N	CUC	cyclohexylglycyl 
+C1=CN(C(=O)N=C1N)C[C@H](C(=O)O)N	CUD	3-(4-amino-2-oxopyrimidin-1(2h)-yl)-d-alanine
+c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O	CUE	coumestrol
+c1cc2c(cc1OCCN3CCCCC3)O[Cu]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F	CUF	[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappao}(2-)]copper (ii)
+CO/N=C(\c1csc(n1)N)/C(=O)N[C@H]([C@@H]2NC(=C(CS2)CO)C(=O)O)C(=O)O	CUG	(2r)-2-[(s)-{[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1ccc(cc1)C(=O)c2ccc(c(c2O)O)O	CUH	2,3,4-trihydroxybenzophenone
+S1[Cu]S([Cu]1)([Cu])[Cu]	CUK	[4cu:2s] cluster
+Cl[Cu]Cl	CUL	copper (ii) chloride
+O[Mo+6](=O)S[Cu+]	CUM	cu(i)-s-mo(vi)(=o)oh cluster
+O[Mo+4](=O)S[Cu+]	CUN	cu(i)-s-mo(iv)(=o)oh cluster
+O1[Cu]O[Cu]1	CUO	cu2-o2 cluster
+c1ccc(cc1)C[C@H]2C(=O)O[Cu]3[N]2=Cc4ccccc4O3	CUP	(n-salicyliden-l-phenylalanato)-copper(ii)
+c1ccc(cc1)C(=O)c2ccc(c(c2)O)O	CUQ	[3,4-bis(oxidanyl)phenyl]-phenyl-methanone
+COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=C\c2ccc(c(c2)OC)O)/O	CUR	(1z,4z,6e)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one
+CC(C)C[C@H]1C(=O)O[Cu]2[N]1=Cc3ccccc3O2	CUS	(n-salicyliden-l-leucinato)-copper(ii)
+c1ccc(cc1)C(=O)c2ccc(cc2O)O	CUT	[2,4-bis(oxidanyl)phenyl]-phenyl-methanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)O)O)N	CUU	[(2~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
+S1[Fe][S]2[Fe]1S[Fe]2S[Fe][Ni]	CUV	fe(4)-ni(1)-s(4) cluster, oxidized
+C(C[C@H]([C@@H](C(=O)O)N)O)CN	CUW	(2~{s},3~{r})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid
+c1cc(ccc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4NCC=O)O)O)O)Cl	CUX	2-[[7-[(2~{r},3~{r},4~{s},5~{r})-5-[(~{r})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal
+CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC	CUY	tetracosyl octadecanoate
+S123[Cu]4[Cu]15[Cu]24[Cu]35	CUZ	(mu-4-sulfido)-tetra-nuclear copper ion
+CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Rh]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C)C	CV0	mesoporphyrin ix containing rh
+c1nc2c3c([n+]1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(OP(=O)(OC[C@@H]5[C@H]([C@H]([C@H](n2c(n3)Br)O5)O)O)O)O)O)O)N	CV1	(2r,3r,4s,5r,13r,14s,15r,16r)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide
+C=C(c1ccccc1)[C@@H](N)P(=O)(O)O	CV2	(s)-(1-amino-2phenylallyl)phosphonic acid
+CN1/C(=C\c2ccc(cc2)C(F)(F)F)/C(=O)Nc3ccccc3C1=O	CV3	(3~{z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{h}-1,4-benzodiazepine-2,5-dione
+CNS(=O)(=O)c1cccc(c1)Nc2cc(ncn2)Nc3ccc(cc3)C(F)(F)F	CV4	n-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide
+COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@@H](CC(=O)O)c5ccccc5)C3	CV5	(3~{s})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid
+CC(C)(CO)c1cc2cc(c(cc2n1CC(=O)CO)F)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F	CV6	tezacaftor
+C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O	CV7	desisobuytyryl ciclesonide
+C[C@@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC	CV8	2-[(~{e})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]ethanone
+C[C@H]1/C=C\C=C\C=C\[C@H](C[C@H]([C@H](c2nc(co2)/C=C\C=C\[C@@H]([C@@H](/C=C(/C=C\C=C\C=C/C(=O)O[C@H]1[C@@H](C)[C@H](C[C@H](C)O)O)\C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)OC)OC)C)OC)O	CV9	(2~{r},3~{r},5~{s},6~{e},8~{e},10~{z},12~{s},13~{r},16~{z},18~{e},20~{z},22~{e},24~{r},25~{s},26~{e},28~{z})-13-[(2~{s},3~{s},5~{s})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{r},3~{r},4~{s},5~{r},6~{r})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one
+COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)NCCO)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5	CVA	2-[(4-{5-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-n-(2-hydroxyethyl)acetamide
+B(c1ccc(cc1)\C=C\C(=O)O)(O)O	CVB	4-(carboxyvin-2-yl)phenylboronic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)O[V](O3)(O)O	CVC	[(1~{r},5~{r},6~{r},8~{r})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,3-bis(oxidanyl)-2,4,7-trioxa-3$l^{4}-vanadabicyclo[3.3.0]octan-8-yl]methyl dihydrogen phosphate
+COc1ccccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O	CVD	(2s)-1-(8h-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
+C[C@H](C(=O)N[C@@H](CC(=O)O)CO)N1C(=O)C(=CN(C1=O)C)NC(=O)c2ccc(cc2)Nc3cnc4ccccc4n3	CVE	(3~{s})-3-[[(2~{r})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid
+CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(=O)O	CVF	3-[4-(2-acetamidoethyl)phenyl]benzoic acid
+Cc1ccc(nn1)O	CVG	6-methylpyridazin-3-ol
+CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C	CVI	crystal violet
+CCC(=O)N[C@@H](C)c1ccc(cc1)NC(=O)[C@H]2C[C@@H]2c3cccnc3	CVJ	(1s,2s)-n-{4-[(1s)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
+CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4	CVK	4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{n}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline
+CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OCCCCOc3ccc(cc3)c4[nH]nnn4)OC)(C)C	CVL	5-[4-methoxy-3-[4-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one
+C1CCC(CC1)CCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	CVM	cymal-4
+c1cc(c2c(c1)ONC2=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F	CVN	4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one
+C1CNCCC1COC(=O)N2CCC(CC2)(CN)F	CVO	piperidin-4-ylmethyl 4-(aminomethyl)-4-fluoranyl-piperidine-1-carboxylate
+c1cc(cnc1)CNC(=O)Nc2ccc(cc2)CNC(=O)c3ccc(cc3)CN4CCNCC4	CVP	4-[(piperazin-1-yl)methyl]-n-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide
+COc1cnccc1Nc2c(cnc(n2)c3c4ccccc4n(n3)Cc5c(cc(cc5F)OCCO)F)OC	CVQ	2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol
+[H]/N=C/1\c2c3n(cn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(OC[C@H]5C[C@@H](N1C=N3)[C@@H]([C@@H]5O)O)O)O)O)O	CVR	cyclic adenosine 5'-diphosphocarbocyclic ribose
+COc1cc(cc(c1OC)OC)C(=O)N/N=C/c2cccc3c2cccc3	CVT	3,4,5-trimethoxy-~{n}-[(~{e})-naphthalen-1-ylmethylideneamino]benzamide
+C[C@@H]([C@H]([C@H](C(=O)CO)O)O)O	CVU	l-fuculose open form
+c1cc(cc(c1)I)C(=O)N[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(c6c5[C@]3([C@H]2O6)CCN4CC7CC7)O	CVV	n-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide
+Cc1ccc2c(c1)c(c[nH]2)CCN	CVW	2-(5-methyl-1~{h}-indol-3-yl)ethanamine
+CCCCO[P@@](=O)(C)O	CVX	o-butlylmethylphosphonic acid ester group
+CCN(CCCCCN1C(=CC(=O)N(C1=O)/C=C/CCCN(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-]	CVZ	3-[(~{e})-5-[ethyl-[(2-nitrophenyl)methyl]amino]pent-1-enyl]-1-[5-[ethyl-[(2-nitrophenyl)methyl]amino]pentyl]-6-methyl-pyrimidine-2,4-dione
+c1ccc(cc1)[C@@H]2C[C@H]2NCC3(CCN(CC3)C(=O)OCC4CCNCC4)F	CW0	piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{r},2~{s})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
+C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@@H](O4)COC)O[C@H](O5)C(O6)(C)CCOC=O)O)C(C)C)C)(COC)O	CW1	cotylenin a
+C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl	CW2	n,n'-(octane-1,8-diyl)bis(2,2-dichloroacetamide)
+CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C=C)C	CW4	(4r)-4-(5-ethenyl-1h-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1h-2-benzopyran-1-one
+C[C@@H](c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)C(=O)N4CCCC4)Cl)OC	CW5	1-[2-chloranyl-7-[(1~{s})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea
+CC(C)(c1ccc(cc1)O)c2ccc(c(c2)F)O	CW6	2-fluoranyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
+CC(C)C1=C2[C@H]([C@@H](C(=C)[C@@H]3CC[C@@]([C@H]3C[C@]2(CC1)C)(COC)O)O)O[C@@H]4[C@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O	CW7	cotylenin a
+CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C(F)F)C	CWA	(4r)-4-[5-(difluoromethyl)-1h-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1h-2-benzopyran-1-one
+Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C	CWB	1-methyl-n-[(1r,5s)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
+CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3	CWC	4-(dimethylamino)-n-[5-(1h-indol-4-yl)pyridin-3-yl]butanamide
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Cl	CWD	3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine
+c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O	CWE	r-naringenin
+C[C@@H](CCCCCCC(=O)O)N	CWF	(8s)-8-azanylnonanoic acid
+Cc1c(c(nnc1c2ccc(cc2)Cl)OC)C	CWG	3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine
+C[C@@H]1[C@H](O[C@@H]([C@H](C1=O)C)O)C[C@H](CC[C@H](C)CC[C@@H](CC[C@H](C)CCNC(=O)[C@H](C)O)O)OC(=O)C	CWH	[(2~{s},5~{r},8~{s},11~{s})-1-[(2~{r},3~{r},5~{r},6~{s})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimeth yl-8-oxidanyl-13-[[(2~{s})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate
+Cc1cc2cc(ccc2[nH]1)OC	CWJ	5-methoxy-2-methyl-1h-indole
+c1cc(ccc1C#N)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	CWK	3'-chloro-4'-(alpha-d-mannopyranosyloxy)biphenyl-4-carbonitrile
+C[C@H]([C@H](CCCCCC(=O)O)CC(=O)O)N	CWL	(3r)-3-[(1r)-1-azanylethyl]nonanedioic acid
+Cc1[nH]c2c(n1)cccc2O	CWM	2-methyl-1h-benzimidazol-7-ol
+Cc1c(ncs1)C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C	CWN	ntme polyamide
+[O][W]1234O[Co]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	CWO	 co(ii)-substituted wells-dawson
+Cc1ccc2c(n1)[nH]c(n2)NCc3cc(nn3C)C	CWP	n-[(1,3-dimethyl-1h-pyrazol-5-yl)methyl]-5-methyl-3h-imidazo[4,5-b]pyridin-2-amine
+C[NH+](C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5cccc(c5n4)O	CWQ	2-[[(3~{r})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium
+CC1=NCN(C1=O)CC(=O)O	CWR	(4-methyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl)acetic acid
+Cc1ccc2c(c1)c(ncn2)N	CWS	6-methylquinazolin-4-amine
+CC(C)NC1=N/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1C	CWT	(5z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one
+c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)O	CWU	5-[[(1s,2r)-2-oxidanyl-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
+B(c1cccc(c1)c2ccc3c(c2)ccnc3N)(O)O	CWV	[3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid
+CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cc(cn3)Br	CWW	4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{n}-pyridin-3-yl-pyridine-3-carboxamide
+CNS(=O)(=O)c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	CWX	4'-(alpha-d-mannopyranosyloxy)-biphenyl-4-methyl sulfonamide
+COc1cccc(c1)C(=O)N[C@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N	CWY	(1s,2s,4s,5r,6s)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
+c1cc(cc(c1)c2cccc(c2)CN3CCc4c(scn4)C3)CNCCc5cccnc5	CWZ	n-[[3-[3-(6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridin-5-ylmethyl)phenyl]phenyl]methyl]-2-pyridin-3-yl-ethanamine
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N)N	CX0	[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
+CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)[C@H](Cc3c[nH]cn3)NC(=O)OCc4ccccc4	CX1	n-[(benzyloxy)carbonyl]-l-histidyl-n-methyl-l-phenylalanyl-l-tyrosine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(NCCS)O)O	CX2	2'-deoxy-5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}cytidine
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCC[N+]45CCN[Pt]4NCC5	CX3	[2-(3-{bis[2-(amino-kappan)ethyl]amino-kappan}propyl)-1h-benzo[de]isoquinoline-1,3(2h)-dionato(2-)]platinum(1+)
+c1cc2c(cc1Cl)ncnc2NCC3CC3	CX4	7-chloro-n-(cyclopropylmethyl)quinazolin-4-amine
+c1cc2c(cc1C(=O)N3CCCCC3)nccn2	CX5	piperidin-1-yl(quinoxalin-6-yl)methanone
+c1c2c(cc3c1OCCO3)O[C@@H]4CCCN4C2=O	CX6	2,3,6a,7,8,9-hexahydro-11h-[1,4]dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one
+C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O)C(C)C)C)(COC)O	CX7	cotylenol
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCN5[Pt]4NCC5	CX8	[2-{3-[(2-{[2-(amino-kappan)ethyl]amino-kappan}ethyl)amino-kappan]propyl}-1h-benzo[de]isoquinoline-1,3(2h)-dionato(3-)]platinum
+Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C	CX9	3,7-dimethyl-1-[3-(3-methyl-2,6-dioxo-9h-purin-1-yl)propyl]purine-2,6-dione
+c1ccc(cc1)C[C@@H](C(=O)O)NS(=O)(=O)N	CXA	phenylalanine-n-sulfonamide
+B(CNC(=O)/C(=N\OC)/c1csc(n1)N)(O)O	CXB	[(2-amino-alpha-methoxyimino-4-thiazolylacetyl)amino]methylboronic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)N	CXC	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1cc(c(c(c1CNC(=O)c2c(nc[nH]2)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl	CXD	4-chloranyl-n-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1h-imidazole-5-carboxamide
+CCCCCCCCCCOCCOCCOCCOCCOCCO	CXE	pentaethylene glycol monodecyl ether
+C1CCC(CC1)NC=O	CXF	cyclohexylformamide
+CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@@](CCC[N@](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O	CXG	methyl n-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
+c1cc(c(cc1NC(=O)CS)Cl)Cl	CXH	~{n}-(3,4-dichlorophenyl)-2-sulfanyl-ethanamide
+c1c(cc(cc1F)F)[C@@H](C(=O)O)O	CXJ	(2s)-(3,5-difluorophenyl)(hydroxy)acetic acid
+C1CCC(CC1)O	CXL	cyclohexanol
+CSCC[C@@H](C(=O)O)NC(=O)O	CXM	n-carboxymethionine
+Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O	CXN	cloxacillin
+C1CCC(=O)C(=O)C1	CXO	cyclohexane-1,2-dione
+C1CCC(CC1)CCC(=O)O	CXP	cyclohexane propionic acid
+CN1[C@@H]2CC[C@H]1CC(C2)OC(c3ccccc3)c4ccccc4	CXQ	benztropine
+[H]/N=C/1\c2c3n(cn2)C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(N1C=N3)O5)O)O)O)O)O)O	CXR	cyclic adenosine diphosphate-ribose
+C1CCC(CC1)NCCCS(=O)(=O)O	CXS	3-cyclohexyl-1-propylsulfonic acid
+CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@]3([C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(=O)O)C(=O)O)[C@H](C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O	CXT	carboxyatractyloside
+Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	CXU	cloxacillin (open form)
+Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	CXV	(2r,4s)-2-[(1s)-1-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolid ine-4-carboxylic acid
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3O	CXW	2-({[2-({(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)ethyl]amino}methyl)phenol
+CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl	CXX	3-(3-chloro-5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine
+C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O)O)O	CXY	cytidine-5'-diphospho-beta-d-xylose
+c1cc2c(cc1NCCN3CCOCC3)c(no2)c4cc(c(cc4O)O)Cl	CXZ	4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol
+c1ccc(cc1)Nc2c3cc(ccc3ncn2)NC(=O)CCSC[C@@H](C(=O)O)N	CY0	s-{3-[(4-anilinoquinazolin-6-yl)amino]-3-oxopropyl}-l-cysteine
+CC(=O)NCSC[C@@H](C(=O)O)N	CY1	acetamidomethylcysteine
+C([C@@H](C(=O)N)N)S	CY3	2-amino-3-mercapto-propionamide
+CCCC(=O)SC[C@@H](C(=O)O)N	CY4	s-butyryl-cystein
+CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)c2cc(on2)C	CY6	n-((3s,6r)-6-((s,e)-4-ethoxycarbonyl-1-((s)-2-oxopyrrolidin-3-yl)but-3-en-2-ylcarbamoyl)-2,9-dimethyl-4-oxodec-8-en-3-yl)-5-methylisoxazole-3-carboxamide
+CCOc1cc2c(cc1NC(=O)C[C@@H](CN(C)C)SC[C@@H](C(=O)O)N)C(=Nc3ccc(c(c3)Cl)OCc4ccccn4)C(=CN2)C#N	CY7	s-{(1s)-3-{[(4z)-4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]imino}-3-cyano-7-ethoxy-1,4-dihydroquinolin-6-yl]amino}-1-[(dimethylamino)methyl]-3-oxopropyl}-l-cysteine
+C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1	CY8	cyclopamine
+C[C@H]1C\C=C\[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](\C=C\[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3Cc4ccccc4)C)O	CY9	(3s,3ar,4s,6s,6ar,7e,10s,12r,13e,15r,15ar)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1h-cycloundeca[d]isoindol-15-yl acetate
+O.O	CYA	two oxygen atoms bound to sg of cys
+CCC1=CC(=O)NC1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C	CYB	phycourobilin
+CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	CYC	phycocyanobilin
+C(CC(=O)CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	CYD	2-amino-6-(cystein-s-yl)-5-oxo-hexanoic acid
+Cn1cc2cc1C(=O)NCCCC(=O)NC3=C[NH+](C(=C3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)CCCN)C(=O)NCCCC(=O)Nc6cn(c(n6)C(=O)Nc7cc(n(c7)C)C(=O)N2)C)C	CYE	45-(3-aminopropyl)-5,11,22,28,34-pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,14,19,22,25,28,31,34,37,42,45,48-tetradecaaza-11-azoniaheptacyclo[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]dopentaconta-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaene
+c1cc(c(cc1NC(=O)CSC[C@@H](C(=O)N)N)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O	CYF	5-[2-(2-amino-2-carbamoyl-ethylsulfanyl)-acetylamino]-2-(3,6-dihydroxy-9,9a-dihydro-3h-xanthen-9-yl)-benzoic acid
+C(CC(=O)SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	CYG	2-amino-4-(amino-3-oxo-propylsulfanylcarbonyl)-butyric acid
+C1CCC(=O)CC1	CYH	cyclohexanone
+[C-]#[N+]C1CCCCC1	CYI	cyclohexyl isocyanide
+C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/CN1)CC(=O)O)CCC(=O)O	CYJ	(z)-n~6~-[(4r,5s)-5-(2-carboxyethyl)-4-(carboxymethyl)piperidin-3-ylidene]-l-lysine
+CCCCCC(=O)N[C@@H](CCS)C(=O)O	CYK	n-hexanoyl-l-homocysteine
+C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO	CYL	valienamine
+CSC[C@@H](C(=O)O)N	CYM	s-methylcysteine
+[C-]#N	CYN	cyanide ion
+O.O.O	CYO	oxygens bound to cys sg
+c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	CYP	9r,10r-9-glutathionyl-10-hydroxy-9,10-dihydro phenanthrene
+C([C@@H](C(=O)O)N)SCP(=O)(O)O	CYQ	2-amino-3-phosphonomethylsulfanyl-propionic acid
+C(C[C@@H](C(=O)O)N)CNC(=[NH2+])SC[C@@H](C(=O)O)N	CYR	n~5~-[{[(2r)-2-amino-2-carboxyethyl]sulfanyl}(iminio)methyl]-l-ornithinate
+C([C@@H](C(=O)O)N)S	CYS	cysteine
+C([C@@H](C(=O)[O-])[NH-])S	CYS_LEO2	l-cysteine c-terminal deprotonated fragment
+C([C@@H](C(=O)O)[NH-])S	CYS_LEO2H	l-cysteine c-terminal protonated fragment
+C([C@@H](C(=O)O)[NH-])[S-]	CYS_LEO2H_DHG	l-cysteine-c-terminal protonated fragment/with side chain deprotonated sg
+C([C@@H](C(=O)[O-])[NH-])[S-]	CYS_LEO2_DHG	l-cysteine-c-terminal deprotonated fragment/with side chain deprotonated sg
+C([C@@H](C(=O)O)N)S	CYS_LFOH	l-cysteine free neutral
+C([C@@H](C(=O)O)N)[S-]	CYS_LFOH_DHG	l-cysteine-free neutral/with side chain deprotonated sg
+C([C@@H](C(=O)[O-])[NH3+])S	CYS_LFZW	l-cysteine free zwitterion
+C([C@@H](C(=O)[O-])[NH3+])[S-]	CYS_LFZW_DHG	l-cysteine-free zwitterion/with side chain deprotonated sg
+C([C@@H]([C-]=O)[NH-])S	CYS_LL	l-cysteine - linking embedded fragment
+C([C@@H]([C-]=O)[NH-])[S-]	CYS_LL_DHG	l-cysteine-linking embedded fragment/with side chain deprotonated sg
+C([C@@H]([C-]=O)[NH3+])S	CYS_LSN3	l-cysteine n-terminal protonated fragment
+C([C@@H]([C-]=O)[NH3+])[S-]	CYS_LSN3_DHG	l-cysteine-n-terminal protonated fragment/with side chain deprotonated sg
+C1=C(NC(=O)N=C1)N	CYT	6-aminopyrimidin-2(1h)-one
+C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)\C=C(/C)\C(=C\C=C\C(=C/C#N)\C)\C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C\C=C\c3coc(n3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O	CYU	calyculin a
+CCOC(=O)CC[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C	CYV	ethyl (4r)-4-{[(2r,5s)-5-{[n-(tert-butoxycarbonyl)-l-seryl]amino}-6-methyl-2-(3-methylbut-2-en-1-yl)-4-oxoheptanoyl]amino}-5-[(3r)-2-oxopyrrolidin-3-yl]pentanoate
+C[C@H](C(=O)SC[C@@H](C(=O)O)N)O	CYW	s-[(2r)-2-hydroxypropanoyl]-l-cysteine
+C=C(CCP(=O)(O)O)C=O	CYX	(3-formyl-but-3-enyl)-phosphonic acid
+C1[C@H]([C@@H](C([C@@H]([C@H]1N)O)O)O)N	CYY	2-deoxystreptamine
+c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4	CYZ	cyclothiazide
+CC1=CC(=O)Oc2c1cc3ccc(c(c3c2)[N+](=O)[O-])O	CZ0	8-hydroxy-4-methyl-9-nitro-2h-benzo[g]chromen-2-one
+C([C@@H](C(=O)O)N)S[As](O)O	CZ2	s-(dihydroxyarsino)cysteine
+C[C@H]([C@@H](C(=O)N1CCC[C@H]1Cn2c(nnn2)Sc3ccccc3)NC(=O)[C@H](C)NC)OCC#CC#CCO[C@H](C)[C@@H](C(=O)N4CCC[C@H]4Cn5c(nnn5)Sc6ccccc6)NC(=O)[C@H](C)NC	CZ3	1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2s,3r)-2-[(n-methyl-l-alanyl)amino]-1-oxobutane-3,1-diyl}(2s)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1h-tetrazole]
+Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3ncc(c(n3)Nc4cn(nc4S(=O)(=O)C(C)C)C)Cl	CZ4	5-chloro-n~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-n~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1h-pyrazol-4-yl}pyrimidine-2,4-diamine
+CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cccn3	CZ5	6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{n}-pyridin-3-yl-pyridine-3-carboxamide
+B1(O[C@H](CC(O1)(C)C)C)CNC(=O)/C(=N\OC(C)(C)C(=O)O)/c2csc(n2)N	CZ6	2-[(~{z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{s})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid
+B(CNC(=O)[C@@H](c1ccc(cc1)O)NC(=O)N2C=CN(C(=O)C2=O)CC)(O)O	CZ7	({[(2r)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2h)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid
+B(CNC(=O)[C@@H](CCc1ccc(cc1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O	CZ8	({[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid
+B(CNC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)N2CCN(C(=O)C2=O)CC)(O)O	CZ9	n-[(dihydroxyboranyl)methyl]-nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-d-tyrosinamide
+CC(=O)C1=C(N2[C@H](C1=O)[C@H]3c4c[nH]c5c4c(ccc5)C[C@H]3C2(C)C)O	CZA	(6ar,11as,11br)-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-11-one
+c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)Br)OO	CZB	(2s,8r)-8-benzyl-2-(4-bromobenzyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O	CZC	[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(oxidanylidene)-3~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
+[H]/N=C\CNC(=O)[C@@H]1Cc2ccc(c(c2)-c3cc(ccc3OCCN)[C@@H](C(=O)N[C@H](C(=O)N1)C)N(C)C(=O)[C@H](CCN)NC(=O)c4cnc(nc4C)c5ccc(cc5)C(C)(C)C)OCCN	CZD	(8s,11s,14s)-14-{[(2s)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-n-[(2z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide
+c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O	CZE	(2-{4-[(s)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O	CZF	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(oxidanylidene)-3~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3[nH]c4ccc(cc4n3)[N+](=O)[O-]	CZG	2-[(5-nitro-1h-benzimidazol-2-yl)sulfanyl]-n-(4-phenoxyphenyl)acetamide
+c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O	CZH	c2-hydroperoxy-coelenterazine
+c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)I)OO	CZI	(2r)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(4-iodobenzyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one
+Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)C34CC5CC(C3)CC(C5)C4)O[C@H]6[C@@H]([C@@H]([C@H](C(O6)(C)C)OC)OC(=O)N)O	CZJ	(3s,5s,7s)-n-{7-[(3-o-carbamoyl-6-deoxy-5-methyl-4-o-methyl-beta-d-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2h-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+COc1ccc(cc1OC2CCCC2)c3ccn(n3)C[C@H](CN4CCOCC4)O	CZK	(2~{s})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
+S1[Fe]234[S@H]5[Fe]2678[Fe]592[S@H]3[Fe]493(S26)S[Fe]3234[Fe]1156[Fe]722(S8)[S@@H]1[Fe]5([S@@H]63)S24	CZL	l-cluster (fe8s9)
+Cc1cccc(c1O)\C=N\c2ccccc2/N=C/c3cccc(c3O)C	CZM	'n,n'-bis-(2-hydroxy-3-methyl-benzylidene)-benzene-1,2-diamine'
+c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc6ccccc6c5)OO	CZN	(2s,8r)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(2-naphthylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h)-one
+C[C@H]([C@@H]([C@]1(N[C@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)O)N)O	CZO	[(2r,4s)-2-[(1s,2r)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
+c1cc(ccc1C[C@@]2(C(=O)N3C=C(NC(C3=N2)CC4CCCC4)c5ccc(cc5)O)OO)O	CZP	(8r)-8-(cyclopentylmethyl)-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2h) -one
+C[C@@H]1CN(C[C@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC(F)F	CZQ	2-[(~{e})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{r},6~{r})-2,6-dimethylmorpholin-4-yl]ethanone
+c1cc2c(cc1Cl)sc(n2)C[C@@H](C(=O)O)N	CZS	3-(6-chloro-1,3-benzothiazol-2-yl)-l-alanine
+C[C@@H]1CN(C[C@@H](O1)C)C[C@H](CO/N=C/c2ccc(c(c2)OC3CCCC3)OC)O	CZT	(2~{r})-1-[(~{e})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]propan-2-ol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CNC2=O	CZU	[[(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1~{h}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1cc(ccc1C2(CC2)Nc3c4cn[nH]c4nc(n3)Cl)C(F)(F)F	CZV	6-chloro-n-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1cccc(c1C)[C@H](C)c2c[nH]cn2	CZX	4-[(1~{s})-1-(2,3-dimethylphenyl)ethyl]-1~{h}-imidazole
+C[C@H](c1ccc(cc1)C(F)(F)F)Nc2c3cnn(c3nc(n2)Cl)C	CZY	6-chloro-1-methyl-n-{(1r)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C([C@@H](C(=O)O)N)S[As]O	CZZ	thiarsahydroxy-cysteine
+CCNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	D00	2'-deoxy-n-ethylcytidine 5'-(dihydrogen phosphate)
+c1cc2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl)[n+](c1)[O-]	D01	2-({4-[(5-chloro-1h-indol-2-yl)sulfonyl]piperazin-1-yl}carbonyl)thieno[3,2-b]pyridine 4-oxide
+COC(=O)c1cn(nn1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F	D02	methyl 1-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)-1h-1,2,3-triazole-4-carboxylate
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](C(=O)NCc3ccccc3)O)NC(=O)/C=C/c4ccccc4	D03	(s)-n-benzyl-3-((s)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((s)-2-oxopyrrolidin-3-yl)butanamide
+c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C3CCCCC3	D04	4-(4-cyclohexyl-1h-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide
+CCc1c2c(n(n1)c3c(cc(cc3Cl)Cl)Cl)N=C(NC2=O)Cc4ccc(c(c4)O)O	D05	6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4(5h)-one
+CNc1c2cnn(c2nc(n1)Cl)C	D07	6-chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+COc1ccc(cc1OC2CCCC2)C3=NO[C@H](C3)CC(=O)N(CCO)CCO	D08	2-[(5~{r})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{n},~{n}-bis(2-hydroxyethyl)ethanamide
+C/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D09	5-[(1e)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+c1cc(nc(c1)C(F)(F)F)c2nc3c(cc[nH]3)c(n2)Nc4ccncc4F	D0A	n-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+C[C@@H]1CN(C[C@H](O1)C)C(=O)CCn2ccc(n2)c3ccc(c(c3)OC4CCCC4)OC	D0B	3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{r},6~{r})-2,6-dimethylmorpholin-4-yl]propan-1-one
+c1cc(ccc1C[C@H](C(=O)O)N)Cl	D0C	4-chloro-d-phenylalanine
+COc1ccc(cc1OC2CCCC2)c3ccn(n3)CCC(=O)N4CCOCC4	D0E	3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3	D0F	(2s)-2-[[(2s)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
+CC[C@H](C)CCCCCCCCCCCCC(=O)O	D0G	(14s)-14-methylhexadecanoic acid
+CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccc(c2)C)Nc3cccc(c3)C	D0H	6-(ethylcarbamoylamino)-~{n}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide
+COCc1cn(nn1)CCCCCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	D0J	(2r,3r,4r,5s)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1h-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol
+CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)Nc3ccc(cc3)OC	D0K	6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{n}-pyridin-3-yl-pyridine-3-carboxamide
+CCCCCCCN1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O	D0L	(2s)-2-[[(2s)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
+CCC(CC)N	D0M	pentan-3-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2F)O)O)CO)O)O)O)O	D0N	(2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(2~{r},3~{r},4~{r},5~{s},6~{s})-4-fluoranyl-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan-  3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)C)C)C	D0O	(4~{r})-4-[(3~{r},5~{r},8~{r},9~{s},10~{s},13~{r},14~{s},17~{r})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{h}-cyclopenta[a]phenanthren-17-yl]pentanoic acid
+c1cc(c(cc1c2ccc(cc2F)F)NC(=O)CS)O	D0P	n-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide
+Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N	D0Q	5-methyl-l-tryptophan
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)N)O	D0R	n-[(2s,4s,5s)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-l-valinamide
+CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)N2CC(C2)O)c3cnn4c3nc(cc4)c5cccs5	D0S	n-[(2s)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide
+CN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	D0T	(2s)-2-(3-hydroxy-3-oxopropyl)-6-[[methyl-[[2-[(phenylmethyl)carbamoyl]phenyl]methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1cc(c(cc1N)S)C(=O)O	D0U	4-azanyl-2-sulfanyl-benzoic acid
+c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)O)Cl	D0V	(2r)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one
+CC(=O)N[C@@H](CC(=O)O)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O	D0W	sampatrilat-asp
+CC(C)C12=C3[Ru]1456(C2=C4C5(=C63)C)([P]78CN9CN(C7)CN(C9)C8)(Cl)Cl	D0X	[ru(eta(6)-p-cymene)cl-2(pta)
+c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3cccc(c3)Nc4ccc(cc4)F)c5ccsc5)O)Cl	D0Y	(6r)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one
+CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O	D0Z	sampatrilat
+CCCCCCCCCC	D10	decane
+C[C@@H]([C@H](C(=O)O)N)OP(=O)(O)O	D11	d-phosphothreonine
+CCCCCCCCCCCC	D12	dodecane
+C[S@@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)I	D13	4-[5-(3-iodo-phenyl)-2-(4-methanesulfinyl-phenyl)-1h-imidazol-4-yl]-pyridine
+C[N@@]1Cc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4cc5ccc(cc5cn4)Cl)C(=O)N(C)C)C1	D14	7-chloro-n-[(1s,2r,4s)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4h-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide
+c1ccc(cc1)C(=O)Nc2c3cc(ccc3[nH]n2)NC(=O)[C@@H](CCN)c4cccc(c4)Cl	D15	n-(5-{[(2s)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1h-indazol-3-yl)benzamide
+CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	D16	tomudex
+c1cc(cc(c1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNc2ccc(cc2)\C=C/3\C(=O)NC(=S)S3	D17	n-({3-[({4-[(z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-l-glutamic acid
+CC(C)NC(c1ccc(cc1)c2ccc(o2)c3ccc(cc3)C(N)NC(C)C)N	D18	2,5-bis{[4-(n-isopropyl)diaminomethyl]phenyl}furan
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CC4)C(N)NC5CC5	D19	2,5-bis{[4-(n-cyclopropyldiaminomethyl)phenyl]}furan
+[H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-]	D1A	n-[4-[(e)-n-carbamimidamido-c-methyl-carbonimidoyl]phenyl]-7-nitro-1h-indole-2-carboxamide
+[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3ccc(s3)c4ccc(cc4)C(=N)N)\N	D1B	2-(5-{4-[amino(imino)methyl]phenyl}-2-thienyl)-1h-benzimidazole-6- carboximidamide dihydrochloride
+c1cc(ccc1CNS(=O)(=O)NC[C@@H](Cc2cc(c(cc2F)F)F)N)S(=O)(=O)N	D1C	4-[({[(2r)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide
+C1[C@H]([C@@H](CSS1)O)O	D1D	(4s,5s)-1,2-dithiane-4,5-diol
+CCCCCC#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	D1F	1-(beta-d-glucopyranosyl)-5-(hept-1-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
+CN(C)Cc1ccc(o1)c2cccnc2	D1G	n,n-dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine
+Cn1cnc2c1C(=O)N(C(=O)N2C)CCN3C(=O)c4c(ncn4C)N(C3=O)C	D1H	1,1'-ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione)
+CCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	D1I	3-(beta-d-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3h)-one
+CCCC#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	D1J	1-(beta-d-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
+CCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	D1K	3-(beta-d-glucopyranosyl)-6-propylfuro[2,3-d]pyrimidin-2(3h)-one
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl	D1L	2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid
+C#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	D1M	5-ethynyl-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)ccc(c2O)O	D1N	naphthalene-1,2-diol
+C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O	D1P	2'-deoxy-ribofuranose-5'-phosphate
+CC(C)[N@@]1CCc2c(sc(n2)C(=O)Nc3cc(ccc3CCC(=O)Nc4ccc(cc4)Cl)C(=O)O)C1	D1Q	4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid
+CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)c4ccccc4	D1R	nalpha-[(4-methylpiperazin-1-yl)carbonyl]-n-{(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-l-phenylalaninamide
+C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC	D1S	(4e,6z,8s,9s,10e,12s,13r,14s,16r)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
+CCCCCCCCCCS	D1T	decane-1-thiol
+CC1(Cc2c(c(nn2c3ccc(c(c3)NCCSC)C(=O)N)C(F)(F)F)C(=O)C1)C	D1U	4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]-2-{[2-(methylsulfanyl)ethyl]amino}benzamide
+c1ccc2c(c1)C(=O)NC(=N2)S	D1V	2-mercapto(3h)quinazolinone
+CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4	D1W	6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{n}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine
+C1C(=CC(=O)NC1=O)C(=O)O	D1X	2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid
+c1cc(c(cc1O)Cl)C(=O)C=C(C(=O)O)O	D1Y	(2z)-4-(2-chloro-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+CN(C)Cc1cccc(c1)Nc2ccc(nc2OC)c3cccc4c3O[C@@H](CO4)CNC(=O)C5CCOCC5	D1Z	~{n}-[[(3~{r})-5-[5-[[3-[(dimethylamino)methyl]phenyl]amino]-6-methoxy-pyridin-2-yl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide
+COCCNC(=N)NCCC[C@@H](C(=O)O)N	D20	n~5~-{imino[(2-methoxyethyl)amino]methyl}-l-ornithine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC	D21	(2r)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9z)-octadec-9-enoate
+CCCCCCCCNCCCCCCCC	D22	n-octyloctan-1-amine
+CC(C)(C)Nc1c2cc(ccc2nc(n1)C(F)(F)F)c3cccc(c3)N	D23	6-(3-aminophenyl)-n-(tert-butyl)-2-(trifluoromethyl)quinazolin-4-amine
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4C=CC=C4)C(N)NC5C=CC=C5	D24	2,5-bis-[4-[cyclopenta-1,3-dien-5-ylamino-1-aminomethyl]-phen-1-yl]furan
+c1ccc(cc1)c2cc(on2)c3cc[nH]n3	D25	3-phenyl-5-(1h-pyrazol-3-yl)isoxazole
+c1ccc(cc1)c2ncc(s2)c3cc[nH]n3	D26	phenyl-5-(1h-pyrazol-3-yl)-1,3-thiazole
+COc1ccc(cc1OC)\C=C\C(=O)Nc2ccccc2C(=O)O	D27	2-{[(2e)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid
+Cc1cc(ccc1F)c2csc(n2)Nc3ccc(c(c3)O)C(=O)O	D28	4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
+c1c(cc(cc1C(F)(F)F)S(=O)/C=C/CC/N=C\S)C(F)(F)F	D29	(z)-{[(3e)-4-{(r)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol
+[H]/N=C(\c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)c4ccc(cc4)C(=N)N)/N	D2A	2-(4'-amidinobiphenyl-4-yl)-1h-benzimidazole-5-amidine
+CC(C)/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D2B	5-[(1z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(C3C([C@@H]2C(=O)C(C1=O)C(=O)N)O)O)O)Cl)O	D2C	(2s,4s,4ar,5as,6s,11r,11as,12r,12ar)-7-chloro-4-(dimethylamino)-6,10,11,12-tetrahydroxy-1,3-dioxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracene-2-carboxamide
+CC(C)C/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D2D	5-[(1e)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+COc1ccccc1/C(=C/c2coc3c2c(nc(n3)N)N)/C4CC4	D2E	5-[(e)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine
+CCCC/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D2F	5-[(1e)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+CNCc1ccc(o1)c2cccnc2	D2G	n-methyl(5-(pyridin-3-yl)furan-2-yl)methanamine
+CC[C@@H](C)/C(=C\c1coc2c1c(nc(n2)N)N)/c3ccccc3OC	D2H	5-[(1e,3r)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
+Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCCCCC(=O)O	D2J	6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoic acid
+CCOC(=O)CCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC	D2K	ethyl 4-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}butanoate
+CCC[C@H](CC)C[C@H]1C[C@H](C[C@H](N1CC=O)C)CCS(=O)(=O)O[C@H](CC)CC[C@H](C)CC	D2L	[(3r,6r)-6-methyloctan-3-yl] 2-[(2s,4s,6r)-2-[(2s)-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate
+COc1cccc(c1Oc2cc(c(c(c2)OC)O)OC)OC	D2M	4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol
+CCOC(=O)CCCCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC	D2N	ethyl 6-{3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}hexanoate
+Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCc4ccccc4	D2O	6-[2-methoxy-5-(2-phenylethoxy)benzyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
+C([C@@H](CCl)Cl)O	D2P	(2s)-2,3-dichloropropan-1-ol
+CCOC(=O)CCCCOc1ccc(cc1Cc2cnc3c(c2C)c(nc(n3)N)N)OC	D2Q	ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate
+Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3C#CCCCC(=O)O)OC	D2R	6-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl}hex-5-ynoic acid
+c1cc(c(cc1O)O)SSc2ccc(cc2O)O	D2S	4,4'-disulfanediyldibenzene-1,3-diol
+CS[C@H]([C@@H](C(=O)O)N)C(=O)O	D2T	(3r)-3-(methylsulfanyl)-l-aspartic acid
+Cc1cc(cc(c1)C(=O)N(C)[C@H](Cc2ccc(cc2)c3ccccc3)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C	D2U	(2~{s})-2-[[(2~{r})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{h}-indol-3-yl)propanoic acid
+CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C	D2V	(3s,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraen-3-ol
+CN(C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3cccc(c3O2)c4cccc(n4)OC	D2W	4-[2-(dimethylamino)ethoxy]-~{n}-[[(3~{r})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
+Cc1c(sc[n+]1Cc2cnc(nc2O)C)CCO[P@@](=O)(O)OP(=O)(O)O	D2X	3-[(4-hydroxy-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC)CO)O	D2Y	methyl 2-acetamido-4-o-{2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl}-2-deoxy-beta-d-glucopyranoside
+C[NH+](C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3ccccc3O2	D2Z	2-[4-[[(3~{r})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium
+c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	D3	1-(2-deoxy-beta-d-ribofuranosyl)-4-(3-benzamido)phenylimidazole
+CCC#CCOc1cc(ccc1Sc2ccc(c3c2CCCC3)OCC(=O)O)COc4ccc(cc4)C(F)(F)F	D30	[(4-{[2-(pent-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid
+c1cc-2c(c(c1)NC(=O)CN3CCC(CC3)CN)C(=O)c4c2n[nH]c4C5CCCCC5	D31	2-(4-(aminomethyl)piperidin-1-yl)-n-(3_cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)acetamide
+Cc1c(c(ccc1OCC(=O)O)Sc2ccc(cc2OCC#C)COc3ccc(cc3)C(F)(F)F)C	D32	(2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid
+c1cn(cn1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	D33	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazole
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CCC4)C(N)NC5CCC5	D34	2,5-bis{[4-(n-cyclobutyldiaminomethyl)phenyl]}furan
+c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(N)NC4CCCCC4)C(N)NC5CCCCC5	D35	2,5-bis{[4-(n-cyclohexyldiaminomethyl)phenyl]}furan
+CS(=O)(=O)N(CCN)c1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4	D36	n-(2-aminoethyl)-n-{5-[(1-cycloheptyl-1h-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide
+CS(=O)(=O)Nc1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4	D37	n-{5-[(1-cycloheptyl-1h-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide
+CC(C)[C@H](Cc1cn(nn1)Cc2ccc(cc2)C(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O	D38	n~2~-[(2s)-2-{[1-(4-carboxybenzyl)-1h-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-l-lysine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC	D39	(2~{s})-2-azanyl-3-[[(2~{r})-3-hexadecanoyloxy-2-[(~{z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid
+COc1cccc(c1OC)[C@@H]2c3cc(ccc3-n4cccc4[C@H](O2)CC(=O)N5CCC(CC5)CC(=O)O)Cl	D3A	(1-{[(4r,6s)-8-chloro-6-(2,3-dimethoxyphenyl)-4h,6h-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid
+Cc1ccc(c(c1)NC(=O)Nc2cc(ccc2O)S(=O)(=O)N)C	D3B	1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
+c1cc(n2c1CN(CC2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F	D3C	n-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1h)-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC/C=C/CCCCCCCC	D3D	(19s,22r,25r)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9e)-octadec-9-enoate
+C[C@](c1ccc(cc1)C(=O)N(C2CCC(CC2)c3cccnc3)C4CC4)(C(F)(F)F)O	D3E	n-cyclopropyl-n-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
+Cc1cc(c(cc1Cl)Cl)S(=O)(=O)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]	D3F	2-[(2,4-dichloro-5-methylphenyl)sulfonyl]-1,3-dinitro-5-(trifluoromethyl)benzene
+c1cc(cnc1)c2ccc(o2)CN	D3G	(5-(pyridin-3-yl)furan-2-yl)methanamine
+c1cc(ccc1N)NC(=O)CN	D3H	~{n}-(4-aminophenyl)-2-azanyl-ethanamide
+c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccsc3)c4cccc(n4)Oc5ccc(cc5)F)O)Cl	D3J	(2r)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one
+COCCOc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3	D3K	(2~{r})-2-[(~{r})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine
+COc1ccc2c(c1)cc([nH]2)C(=O)c3ccccc3	D3L	(5-methoxy-1h-indol-2-yl)-phenyl-methanone
+COc1c(ccc(c1C(=O)O)Cl)Cl	D3M	3,6-dichloro-2-methoxybenzoic acid
+c1cc2cccc3c2c(c1)NC(=O)N3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	D3N	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-perimidin-2(3h)-one
+[2H][O+]([2H])[2H]	D3O	trideuteriooxidanium
+c1c(cc(cc1O)O)[C@H](C(=O)O)N	D3P	(2r)-amino(3,5-dihydroxyphenyl)acetic acid
+COc1cccc(c1)[C@@H](c2ccccc2)[C@H]3CCCN3	D3Q	(2~{r})-2-[(~{r})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine
+CC(C)(C)OC(=O)N1CC[C@]2([C@H]1c3cccc(c3)c4ccc(c(c4)S(=O)(=O)C)CO)c5ccccc5NC2=O	D3R	~{tert}-butyl (2'~{r},3~{r})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate
+c1ccc(cc1)[C@@]2(CC(=C(C(=O)O2)Sc3ccccc3Cl)O)c4ccccc4O	D3S	(6s)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2h-pyran-2-one
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	D3T	2',3'-dideoxy-thymidine-5'-triphosphate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]34N2C=C[C@H]4c5ccccc5)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O	D3U	2-pcpa derivative
+CC(C)CCC[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O	D3V	 1a,20s-dihydroxyvitamin d3
+COc1ccccc1[C@@H](c2ccccc2)[C@H]3CCCN3	D3W	(2~{r})-2-[(~{r})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine
+COc1ccc(cc1)S(=O)(=O)N(CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC(=O)NO	D3X	n-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}ethyl)amino}acetamide
+c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O	D3Y	3'-deoxy-3'-(d-tyrosylamino)adenosine
+C[C@H]1[C@H]([C@@H]([C@H](O1)N2C=CC(=O)NC2=O)O)O	D3Z	1-(5-deoxy-beta-l-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione
+CC(C)(C)OC(=O)N1CC[C@@]2([C@@H]1c3ccccc3)c4ccccc4NC2=O	D40	~{tert}-butyl (2'~{s},3~{s})-2-oxidanylidene-2'-phenyl-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate
+CC(C)(C)c1nc(c2cc(c(nc2n1)N)C(=O)N)c3ccc[nH]3	D41	7-amino-2-tert-butyl-4-(1h-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
+Cc1c(sc(n1)C)c2c3c(n[nH]2)-c4cccc(c4C3=O)NC(=O)NN5CCN(CC5)C	D42	1-(3-(2,4-dimethylthiazol-5-yl)-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea
+CC(C)[C@H]1[C@]2(CCN1C(=O)OC(C)(C)C)c3ccccc3NC2=O	D43	~{tert}-butyl (2'~{s},3~{s})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{h}-indole-3,3'-pyrrolidine]-1'-carboxylate
+CCc1ccccc1NC(=O)CSc2[nH]c3c(n2)cccn3	D44	n-(2-ethylphenyl)-2-(3h-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
+CN1CNS(=O)(=O)c2c1cc(cc2)CCc3ccc4c(c3)N(CNS4(=O)=O)C	D45	6,6'-(ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide)
+C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3CNC(=O)c4ccc(s4)Cl)C1	D46	n-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
+c1ccc(c(c1)S[C@H]2C(=O)C[C@](NC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)Cl	D47	(3s,6s)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione
+c1ccc2cc(c(cc2c1)O)O	D48	naphthalene-2,3-diol
+c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)O)OCC[C@H](COc4ccc(cc4)c5[nH]c6ccc(cc6n5)C(=O)O)O	D49	2-[4-[(2~{r})-4-[4-(6-carboxy-1~{h}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{h}-benzimidazole-5-carboxylic acid
+c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3ccsc3)c4cccc(n4)Nc5ccc(cc5)F)O)Cl	D4A	(6r)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one
+C#Cc1ccc(cc1)C#CC2=CN(C(=O)N=C2N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	D4B	[(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)OP(=O)(O)O	D4D	2',3'-dehydro-2',3'-deoxy-thymidine 5'-diphosphate
+c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	D4F	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4s)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
+c1cnccc1SSc2ccncc2	D4G	4,4'-dipyridyl disulfide
+Cc1cccc(c1)[C@H](c2ccccc2)[C@H]3CCCN3	D4H	(2~{r})-2-[(~{s})-(3-methylphenyl)-phenyl-methyl]pyrrolidine
+CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@@H]([C@@H](O[C@H]5[C@H]4O[C@@](OC5)(C)C(=O)O)OC)NC(=O)C)CO)O	D4I	methyl 2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-d-glucopyranosyl-(1->3)-2-acetamido-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranoside
+c1ccc(c(c1)SC2=C(C[C@](NC2=O)(c3ccsc3)c4cccc(n4)Oc5ccc(cc5)F)O)Cl	D4J	(2s)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1h)-one
+COc1cccc(c1)[C@H](c2ccccc2)[C@H]3CCCN3	D4K	(2~{r})-2-[(~{s})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine
+Cc1ccc2c(c1)nc(c(n2)C)c3cc4nc(cc(n4n3)NC5CCOCC5)N6CCCC6	D4L	2-(3,7-dimethylquinoxalin-2-yl)-~{n}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine
+CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(O)O	D4M	[(5r)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
+C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)[C@@](C)(C(F)(F)F)O)CC3(CC3)C(=O)N	D4N	1-{[(3r)-3-methyl-4-({4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide
+C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	D4O	(3~{s})-3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+c1cc(ccc1[C@@H](C(=O)O)N)O	D4P	(2s)-amino(4-hydroxyphenyl)acetic acid
+c1cc(cc(c1)F)c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N	D4Q	2-(3-fluorophenyl)-4-[[(3~{s})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
+CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=CC=C3[C@H]1C5)OC)OC	D4R	(4r,7ar,12bs)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline
+c1ccc(c(c1)SC2=C(C[C@@](OC2=O)(c3cccc(c3)N)c4ccsc4)O)Cl	D4S	(6r)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2h-pyran-2-one
+CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	D4T	2',3'-dehydro-2',3'-deoxy-thymidine 5'-triphosphate
+c1c(cc(c2c1C[C@@H](OC2=O)CC3CCCCC3)O)O	D4U	(3~{s})-3-(cyclohexylmethyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+Cc1cccnc1O	D4V	3-methylpyridin-2-ol
+c1ccc(c(c1)n2c(ccn2)c3ccc(cc3O)O)Cl	D4W	4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol
+C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)N2)O)O	D4X	(3~{s})-3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{h}-isoquinolin-1-one
+c1cc2c(cc1F)[C@@H](C(=O)N2)O	D4Y	(3s)-5-fluoro-3-hydroxy-1,3-dihydro-2h-indol-2-one
+c1ccc(cc1)c2cc3c(ccc(c3[nH]2)C(=O)N)N[C@H]4CCCNC4	D4Z	2-phenyl-4-[[(3~{s})-piperidin-3-yl]amino]-1~{h}-indole-7-carboxamide
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OCc2ccccc2)N)O	D50	n-{(2s,3r)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-l-leucine
+Cc1cc2c(cc1C)N3[C@@](CC([C@@]34[C@H](N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8)(C)N	D51	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(1r,3s,3as,7as)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+Cc1cc2c(cc1C)N(C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@@](CCc7ccccc7)(c8ccccc8)N	D52	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4s)-5-[5-[(1s)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4ah-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+c1ccc(cc1)CNCCS(=O)(=O)O	D53	2-(benzylamino)ethanesulfonic acid
+C([C@@H]([C@H](C=O)O)O)C(=O)C(=O)O	D54	4-deoxy-l-threo-hex-5-ulosuronic acid
+CCOc1ccc(c(c1)NC(=O)c2cc(c(c(c2)C)OCCN)C)OCC	D55	4-(2-aminoethoxy)-n-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide
+CCOc1c(cc(cc1Cl)N2CCCCC2)NC(=O)c3cc(c(c(c3)C)OCCN)C	D56	4-(2-aminoethoxy)-n-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
+COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)C(=O)OC)O)O	D57	dimethyl 2-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate
+C[C@@H]1[C@H](CCCN1)Nc2c3cc(sc3c(cn2)C(=O)N)c4ccccc4	D58	4-[[(2~{r},3~{s})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide
+Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2cc(cc(c2)Cl)Cl	D59	n-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
+c1cc2cc3cccc(c3cc2c(c1)C[NH3+])C[NH3+]	D5B	[8-(azaniumylmethyl)anthracen-1-yl]methylazanium
+c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N	D5C	n-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)N	D5E	paromamine
+C[C@H]1CCC[C@@H](C1)CC2=Cc3cc(cc(c3C(=O)O2)O)O	D5F	3-[[(1~{s},3~{s})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one
+CC(C)C[C@@H](C(=O)N[C@H]1C[C@H](OC1)O)NC(=S)Nc2ccccc2	D5G	(2s)-4-methyl-2-(3-phenylthioureido)-n-((3s)-tetrahydro-2-hydroxy-3-furanyl)pentanamide
+COc1cccc(c1)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O	D5H	2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
+c1cnccc1C(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3	D5I	n'-(1-adamantylcarbonyl)pyridine-4-carbohydrazide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	D5M	2'-deoxyadenosine-5'-monophosphate
+c1cc(c(cc1c2ccnn2C[C@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F	D5N	(2~{s})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
+c1c(cc(c2c1C=C(OC2=O)CC3CCCCC3)O)O	D5O	3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one
+Cn1cc(cc1C(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)c5cc(ccc5OC)OC	D5Q	4-(2,5-dimethoxyphenyl)-n-(4-(5-(4-fluorphenyl)-2-(methylthio)-1h-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1h-pyrrole-2-carboxamide
+CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C(=N3)c5ccc(c(c5)OC)OC)C	D5T	1-[2-[4-[(4~{a}~{s},8~{a}~{r})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione
+COc1ccccc1C(=O)CCc2ccccc2C(=O)O	D5U	2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]benzoic acid
+c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O	D5V	(1s,2s,3s,4r,5r)-2-amino-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+[H]/N=C\c1nccc(n1)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](c2cc(cc(c2)Cl)Cl)N(C)C	D5W	(2~{s},3~{s})-2-[[(2~{s})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{n}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide
+CC(=O)C([C@H](COP(=O)(O)O)O)(O)O	D5X	(2s)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate
+COC(=O)[C@H](CN1C=C(C(=O)NC1=O)Br)N	D5Y	methyl 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alaninate
+COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)c5c6ccccc6nc(n5)N	D5Z	(4as,8ar)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
+Cn1cc(cn1)c2ccc(c(c2)CCC(=O)c3c(cc(cc3F)c4c[nH]nc4)F)C(=O)O	D60	2-[3-[2,6-bis(fluoranyl)-4-(1~{h}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid
+c1ccc2cc(ccc2c1)CCCCCNC(=O)[C@@H]([C@H](C(=O)O)OCC(=O)O)OCCCCCc3ccc4ccccc4c3	D61	(2r,3r)-2-(carboxymethoxy)-4-{[5-(naphthalen-2-yl)pentyl]amino}-3-{[5-(naphthalen-2-yl)pentyl]oxy}-4-oxobutanoic acid
+COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)c5c6ccsc6nc(n5)N	D62	(4as,8ar)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
+[H]/N=C(\c1ccc2c(c1)nc([nH]2)c3ccc(cc3)c4ccc(cc4)C(=O)N)/N	D63	4'-(5-carbamimidoyl-1h-benzimidazol-2-yl)biphenyl-4-carboxamide
+Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N	D64	6-(4-methylphenyl)quinazoline-2,4-diamine
+Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F	D65	2-(1,1-difluoroethyl)-5-methyl-n-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OC)N)O	D66	n-[(2s,3r)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-l-leucine
+Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)C(F)(F)F	D67	2-(1,1-difluoroethyl)-5-methyl-n-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C(=N3)c5ccc(c(c5)OC(F)F)OC(F)F)C	D68	 1-(2-{4-[(4as,8ar)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione
+[H]/N=C(\Cc1ccccc1)/C[C@@H](c2ccccc2)[C@]34[C@@H](NC(=O)NC3=O)N(c5cc(c(cc5N4)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O	D69	[[(2r,3s,4s)-5-[(4as,10as)-4a-[(1s)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1h-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1cc(ccc1c2nc(on2)[C@H]3C[C@H](CN3)O)C(F)(F)F	D6A	(3r,5r)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol
+CC(=O)O[C@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC	D6C	[(2~{s},3~{r})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
+C1C[C@H](N(C1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O)CO	D6D	(1s,2s,3s,4r,5r)-2-amino-4-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol
+CC(C)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	D6E	(2~{s})-2-[[(2~{s})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid
+CC[n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+](cc4)CC)c5ccc(cc5)c6cc[n+](cc6)CC	D6F	4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O	D6G	2-deoxy-6-o-phosphono-alpha-d-glucopyranose
+CN(C)CCCOc1ccc(nc1)Nc2cc(ncn2)n3cnc4c3cccc4	D6I	6-(benzimidazol-1-yl)-n-[5-[3-(dimethylamino)propoxy]pyridin-2-yl]pyrimidin-4-amine
+CC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3	D6J	(2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2r)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide
+C[C@@H]1C[C@H](OC(O1)(C)C)O	D6K	(4~{s},6~{r})-2,2,6-trimethyl-1,3-dioxan-4-ol
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O	D6M	n-hexadecanoyl-l-glutamic acid
+C12345[Fe]6[S]7[Fe]18[N][Fe]29[S]1[Fe]3[S]2[Fe]1[S]9[Fe]42S[Fe]51[S]6[V]7[S]81	D6N	fev
+C(=C\C(=O)O)\C(=O)NC=O	D6O	(~{z})-4-formamido-4-oxidanylidene-but-2-enoic acid
+C(CO)[C@H]([C@@H]([C@@H](\C=C\P(=O)(O)O)O)O)O	D6P	(3,4,5,7-tetrahydroxy-hept-1-enyl)-phosphonic acid
+c1cc(c(c2c1N(C(=O)C23CCN(CC3)C(=O)c4cc5cn[nH]c5nc4)CC(=O)NCC(F)(F)F)F)F	D6Q	2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{h}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
+CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OC	D6R	6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
+CN(Cc1ccccc1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O	D6S	(1s,2s,3s,4r,5r)-2-amino-4-[benzyl(methyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
+CCC(=O)c1ccc(cc1NC(=O)c2ccc3ccccc3n2)c4cn(nn4)c5ccc(cc5)CCN6CCc7cc(c(cc7C6)OCCOCCOCCOC)OC	D6T	~{n}-[5-[1-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1~{h}-isoquinolin-2-yl]ethyl]phenyl]-1,2,3-triazol-4-yl]-2-propanoyl-phenyl]quinoline-2-carboxamide
+CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OCc5ccccn5	D6U	16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
+c1ccc2c(c1)[nH]c(n2)[C@H]3CCNC3	D6V	2-[(3s)-pyrrolidin-3-yl]-1h-benzimidazole
+CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc4c(c3)c[nH]n4)c5ccccc5	D6W	2-[8-(2~{h}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{n}-methyl-ethanamide
+Cc1cc(n2c(n1)nc(n2)CCNc3ccc4ccccc4n3)C	D6X	n-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
+CC(C)(C)c1cc(no1)CC2(COC2)N	D6Y	3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
+c1cc2c(c(c1)Br)C3(CCN(CC3)C(=O)c4ccc5c(n4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F	D6Z	2-[4-bromanyl-2-oxidanylidene-1'-(1~{h}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
+CCC(=N)C[C@@H](c1ccccc1)[C@]23[C@@H](NC(=O)NC2=O)N(c4cc(c(cc4N3)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O	D70	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4as,10as)-4a-[(1s,3e)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate
+c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4	D71	1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione
+CC(C)COc1c(cc2c(c1Cl)O[C@H](C(=C2)C(=O)O)C(F)(F)F)Cl	D72	(2r)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2h-chromene-3-carboxylic acid
+[H]/N=C(\C)/C[C@@H](c1ccccc1)[C@@]23C(=O)NC(=O)N=C2N(c4cc(c(cc4N3)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O	D73	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4as)-4a-[(1s,3e)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate
+Cc1cccc(c1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O	D74	(1r,2s,3r,4r)-3-amino-4-(3-methylphenyl)cyclopentane-1,2-diol
+c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O	D75	daidzein-7-o-glucuronide
+C[N@@]1CCc2c(sc(n2)C(=O)N3CC[N@](C[C@@H]3C(=O)N)S(=O)(=O)c4ccc5cc(ccc5c4)Cl)C1	D76	(2r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperaz ine-2-carboxamide
+C[C@@]([C@H](C(=O)OC)O)([C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)O)C5=O)O)O)O	D77	methyl (2r,3r)-2,3-dihydroxy-3-[(1as,11s,11ar,14z,18r)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11ah-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)OC	D78	(5s)-n-[(1s,2r)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif luoromethyl)phenyl]-5-oxazolidinecarboxamide
+Cc1cc(n2c(n1)nc(n2)CCc3cc(n4c(n3)c5cccnc5n4)O)C	D79	4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol
+COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N	D7A	n-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
+CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)C5=CCNCC5	D7B	(s)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2h)-yl)ethanone
+Cc1cc(n2c(n1)nc(n2)CC(=O)N3c4nc5ccccc5n4C[C@@H]3C)C	D7C	2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2s)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone
+CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2	D7D	n-{cis-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide
+CCn1c2cc(ccc2nc1[C@@H](C)NS(=O)(=O)c3ccc(cc3)Cl)C(F)(F)F	D7E	4-chloro-n-[(1r)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
+CCN(CC)CCOc1ccc2c(c1)C=C3c4c(ccc(c4O2)OC)C(=O)N3C	D7F	6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC2CC2)NC(=O)OCCOCCOC	D7G	((1s)-1-((((1s)-1-benzyl-3-(cyclopropylamino)-2,3-dioxopropyl)amino)carbonyl)-3-methylbutyl)carbamic acid 5-methoxy-3-oxapentyl ester
+CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)c5cnc(nc5)C(=O)N	D7H	(s)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide
+c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OCCOc2cc(c(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	D7I	5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate
+CC(C)N[C@@H](CSC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc2cccnc2	D7J	tert-butyl [(2s)-1-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O	D7K	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(s)-hydroxy[(r)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)O	D7L	6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
+CC(C)(C)OC(=O)NCCSC[C@@H](C(=O)NCc1cccnc1)NC2CCCC2	D7M	tert-butyl (2-{[(2r)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate
+c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F	D7N	2-[1-(4,4-difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1h-isoindole-4-carboxamide
+c1ccc(cc1)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N	D7P	d-phenylalanyl-n~5~-[(2,2-dihydroxyhydrazino)(imino)methyl]-d-ornithinamide
+CC(=O)N1c2ccccc2N(C[C@@H]1C3CC3)Cc4ccccc4C(=O)O	D7Q	2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2h)-yl)methyl)benzoic acid
+Cc1cc(n2c1C(=O)NN=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C	D7R	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2h-pyrrolo[1,2-d][1,2,4]triazin-1-one
+C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C	D7S	(5beta,14beta,17alpha,25s)-3-oxocholest-7-en-26-oic acid
+Cc1cccc(c1)CN2CCN(c3c2cccc3)C(=O)C	D7T	1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2h)-yl)ethanone
+Cc1cc(n2c1C(=O)NC=C2)c3cc(cnc3Oc4ccc(cc4F)F)CS(=O)(=O)C	D7U	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2h-pyrrolo[1,2-a]pyrazin-1-one
+CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3	D7V	(3z)-3-(dibenzo[b,e]oxepin-11(6h)-ylidene)-n,n-dimethylpropan-1-amine
+CN1CC(=O)N=C1NC(=O)Nc2cccc(c2)Cl	D7W	1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{h}-imidazol-2-yl)urea
+Cc1cc(n2c1C(=O)NC=C2)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C	D7X	n-[3-(8-methyl-1-oxidanylidene-2h-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide
+CC(C)N[C@@H](CSCCNC(=O)OC(C)(C)C)C(=O)NCc1cccnc1	D7Y	tert-butyl (2-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate
+C1CC[C@@H]2[C@@H](C1)N[Pt](N2)(Cl)Cl	D7Z	ptcl2(1(r),2(r)-dach)
+CCCCc1nc2c(o1)c3ccccc3nc2N	D80	2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine
+CC(C)(C)OC(=C)N[C@@H](Cc1ccccc1)CSC[C@@H](C(=O)NCc2cccnc2)NC3CCCC3	D81	s-{(2s)-2-[(1-tert-butoxyethenyl)amino]-3-phenylpropyl}-n~2~-cyclopentyl-n-[(pyridin-3-yl)methyl]-l-cysteinamide
+[H]/N=C\1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)[C@H](CC3)O)COC(=O)N	D82	beta-saxitoxinol
+[H]/N=C(/c1ccc(cc1)c2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N\[H])/N)\N	D83	2-(4'-carbamimidoylbiphenyl-4-yl)-1h-indole-6-carboximidamide
+c1ccc(c(c1)Cn2c3cc(ccc3nc2COc4cccc(c4)N5CCCC5=O)C6=CNC(=O)C=C6)OC(F)F	D84	5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1h-benzimidazol-6-yl)pyridin-2(1h)-one
+C1CCN(CC1)C(=[NH2+])N	D86	[azanyl(piperidin-1-yl)methylidene]azanium
+CCCCc1cc2c3ccccc3nc(c2o1)N	D87	2-butylfuro[2,3-c]quinolin-4-amine
+CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)Cl)OC	D88	4-[(3,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
+CCS(=O)(=O)Cc1cc(c(nc1)Oc2ccc(cc2F)F)c3cc(c4n3CC=NC4=O)C	D89	6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4h-pyrrolo[1,2-a]pyrazin-1-one
+C1CCC(CC1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O	D8A	(1r,2s,3r,4r)-3-amino-4-cyclohexylcyclopentane-1,2-diol
+Cc1cccc(n1)C#Cc2cccc(c2)OC	D8B	2-[2-(3-methoxyphenyl)ethynyl]-6-methyl-pyridine
+Cc1c(ccc2c1OC(=O)C3=C2CCN(C3)C(=O)c4ccc(c(c4)Cl)NS(=O)(=O)C)N5CCN(CC5)C	D8C	n-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1h-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide
+CNC(=O)[C@@H](C1CCCCC1)N2CCC[C@H]2C(=O)O	D8D	1-[(1r)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-l-proline
+Cc1cc(no1)C(=O)N[C@H]2CCCCN(C(=O)CC[C@H](NC(=O)[C@@H](NC2=O)Cc3ccc(cc3)F)CO)C	D8E	~{n}-[(2~{s},5~{s},14~{s})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
+CCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]	D8F	(4-nitrophenyl) hexanoate
+Cc1cc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccccc4F	D8G	6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
+Cc1cc(nc(c1)N)CCc2cc(cnc2)NCCCOC	D8H	6-(2-(5-(3-methoxypropylamino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine
+COc1cccc(c1)CNCCS(=O)(=O)O	D8I	2-[(3-methoxybenzyl)amino]ethanesulfonic acid
+c1cc(ccc1C(=O)NC[C@@H]2[C@H]([C@@H](CO2)N)O)F	D8J	2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-d-arabinitol
+Cc1cc(no1)C(=O)N[C@H]2CNC(=O)[C@H]3CCCN3C(=O)CC[C@H](NC(=O)[C@@H](NC2=O)Cc4ccc(cc4)F)CO	D8K	~{n}-[(5~{s},8~{s},11~{s},15~{r})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide
+CS[C@H](Cc1c[nH]c2c1cccc2)C(=O)O	D8L	(2r)-3-(1h-indol-3-yl)-2-methylsulfanyl-propanoic acid
+c1ccnc(c1)CNC(=O)C[C@H]2[C@@H]([C@@H]([C@H](O2)CN)O)O	D8M	2-[(2s,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-n-(pyridin-2-ylmethyl)acetamide
+CC(=O)Nc1ccc(cc1)[C@H]2CC=NO2	D8N	~{n}-[4-[(5~{r})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide
+Cc1ccc2c(n1)N([C@@H](CCNC2)CO)C	D8P	[(2s)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
+CN1C=C(C=CC1=O)C(=O)NCCN	D8Q	~{n}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
+c1ccc2c(c1)ccc3c2sc(c3)C(=O)O	D8S	benzo[g][1]benzothiole-2-carboxylic acid
+C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O	D8T	d-arabinonic acid
+[2H+]	D8U	deuterium(1+)
+CN(CC#C)Cc1nc(cs1)C2(CCNCC2)O	D8V	4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol
+c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N	D8W	5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide
+CC(C)CC(=O)C([C@H](COP(=O)(O)O)O)(O)O	D8X	(2s)-2,3,3-trihydroxy-6-methyl-4-oxoheptyl dihydrogen phosphate
+c1cc(cc(c1)Cl)CCc2cccnc2N	D8Y	3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine
+C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C	D8Z	artemether
+C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1	D90	n-(2-{[(5-chloro-1h-indol-2-yl)carbonyl]amino}phenyl)-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
+CC(C)C[C@@H]1C[N@](CCN1C(=O)c2ncc(cn2)c3ccncc3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl	D91	5-chloro-2-({3-isobutyl-4-[(5-pyridin-4-ylpyrimidin-2-yl)carbonyl]piperazin-1-yl}sulfonyl)-1h-indole
+C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1	D92	n-((1r,2s)-2-(5-chloro-1h-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide
+C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1	D93	n-((1r,2r)-2-(5-chloro-1h-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide
+CN1CCN(CC1)C2CC(C2)c3nc(c4n3ccnc4N)c5ccc6ccc(nc6c5)c7ccccc7	D94	3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
+C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C	D95	artesunate
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@H](CCC(=O)O)C(=O)O	D96	n-{4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-d-glutamic acid
+c1ccc2c(c1)cc(cn2)CN[C@@H]3[C@H]4CO[C@H](O4)[C@@H]([C@H]3O)N5CCOCC5	D97	(1s,2s,3s,4r,5r)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
+[H]/N=C(/c1ccc2c(c1)nc([nH]2)c3ccc(cc3)c4ccc(cc4O)/C(=N/[H])/N)\N	D98	2-(4'-carbamimidoyl-2'-hydroxybiphenyl-4-yl)-1h-benzimidazole-5-carboximidamide
+CC(C)(C)CN(c1ccc(cc1[C@@H](c2ccccc2Cl)O)Cl)C(=O)CCC(=O)N3CCC[C@H](C3)C(=O)O	D99	(3r)-1-{4-[{4-chloro-2-[(s)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid
+CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc(c3OC)OC)Cl	D9A	n-{[(3r,5s)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-l-aspartic acid
+CN1C=C(C=CC1=O)C(=O)Nc2ccc3c(c2)N(C(=O)O3)CCN(C)C	D9B	~{n}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
+CCOc1c(ccc2c1Oc3c(ccc4c3C(=C2)N(C4=O)C)OC)OC	D9C	4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one
+c1cc(oc1CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCOCC4)CO	D9D	(1s,2s,3s,4r,5r)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+C[C@@H]1CCC/C=C/C=C\[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C/C=C\C(=O)O1)O)O)O	D9F	(3~{z},5~{e},8~{s},9~{e},11~{e},14~{s},16~{r},17~{z},19~{e},24~{r})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
+CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]	D9G	n-dodecyl-n,n-dimethylglycinate
+c1cc(ccc1Nc2nc(nc(n2)Cl)NCCO)S(=O)(=O)N	D9H	4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide
+Cc1c(cccn1)N[C@H]2CCCS(=O)(=O)C2	D9K	~{n}-[(3~{s})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
+CC(=O)NCCSC(=O)CCC(=O)O	D9L	4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid
+c1cnccc1CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCOCC4	D9M	(1s,2s,3s,4r,5r)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccc(cc4)C(=O)OC	D9N	methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl)ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate
+C[C@@H]1CCC/C=C/C=C\[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C\C=C\C(=O)O1)OC(=O)CCC(=O)O)O)O	D9O	4-[[(3~{e},5~{z},8~{s},9~{e},11~{e},14~{s},16~{r},17~{z},19~{e},24~{r})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid
+C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5	D9P	1-desthiobiotinylpyrene
+CN1C=C(C=CC1=O)C(=O)NCCN2CCCC2	D9Q	1-methyl-6-oxidanylidene-~{n}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
+CN(Cc1ccccc1)Cc2cc(no2)C[C@H]3CNCC[C@H]3CC(=O)Nc4nccs4	D9S	2-{(3r,4s)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-n-(1,3-thiazol-2-yl)acetamide
+CN1C=C(C=CC1=O)C(=O)NCC2(CCCCC2)N	D9T	~{n}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
+[H]/N=C(\N)/N[C@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(cc2)CNC(=O)CCCNC1=O)CCCCN)CCCCN	D9U	1-[(10~{s},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(27),24(28),25-trien-10-yl]guanidine
+c1cc(oc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4	D9V	(1s,2s,3s,4r,5r)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br	D9W	~{n}-[3-[(3~{r})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
+C1CCC(CC1)NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)N4CCCCC4	D9Y	1-cyclohexyl-3-[(1s,2s,3s,4r,5r)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea
+c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl	D9Z	5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	DA	2'-deoxyadenosine-5'-monophosphate
+c1cc(ncc1N)N	DA1	pyridine-2,5-diamine
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)C	DA2	ng,ng-dimethyl-l-arginine
+C1[C@@H](ON=C1C(=O)O)C[C@@H](C(=O)O)N	DA3	(2s,5',s)-2-amino-3-(3-carboxy-2-isoxazolin-5-yl)propanoic acid
+C#Cc1cccc(c1)S(=O)(=O)N	DA4	3-ethynylbenzenesulfonamide
+CN(C)CCNC(=O)c1cccc2c1[nH+]c3c(c2[NH3+])cccc3Br	DA5	5-bromo-9-amino-n-ethyl(diaminomethyl)acridine-4-carboxamide
+CN(C)CCNC(=O)c1cccc2c1[nH+]c3cc(ccc3c2[NH3+])Br	DA6	6-bromo-9-amino-n-ethyl(diaminomethyl)acridine-4-carboxamide
+CN(C)CCNC(=O)c1cccc2c1nc3c(c2N)cccc3F	DA7	5-fluoro-9-amino-(n-(2-dimethylamino)ethyl)acridine-4-carboxamide
+CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O	DA8	octyl 3-deoxy-2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-xylo-hexopyranoside
+C(CS)NC(=O)CN=[N+]=[N-]	DA9	2-azido-n-(2-sulfanylethyl)ethanamide
+C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O[Al-](F)(F)F)N	DAA	8-amino-7-carboxyamino-nonanoic acid with aluminum fluoride
+C(CN)[C@@H](C(=O)O)N	DAB	2,4-diaminobutyric acid
+CCCCCCC\C=C/C(=O)SCCNC(=O)C	DAC	2-decenoyl n-acetyl cysteamine
+c1nc(c2c(n1)n(cn2)[C@@H]3CC[C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)N	DAD	2',3'-dideoxyadenosine-5'-triphosphate
+[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F	DAE	o,p-dinitrophenyl aminoethyldiphosphate-beryllium trifluoride
+C=C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C(C(=O)[C@@H]([C@H]2O)O)C=O	DAF	4,6-dideoxy-4-{[(1s,5r,6s)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-d-xylo-hex-5-enopyranose
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N	DAG	4-amino-4,6-dideoxy-beta-d-glucopyranose
+c1cc(c(cc1C[C@@H](C(=O)O)N)O)O	DAH	3,4-dihydroxyphenylalanine
+CCCCCN1C(=O)[C@H]2C3c4ccccc4C([C@H]2C1=O)(c5c3cccc5)CO	DAI	(3as,9as)-2-pentyl-4-hydroxymethyl-3a,4,9,9a-tetrahydro-4,9[1',2']-benzeno-1h-benz[f]isoindole-1,3(2h)-dione
+Cc1c2n(c3c1C(=O)C(=C(C3=O)C)N)C[C@@H](C2)[NH3+]	DAJ	decarbamoyl-2,7-diaminomitosene
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)\C=C\c4ccc(cc4)N(C)C)O	DAK	4-(n,n-dimethylamino)cinnamoyl-coa
+C[C@H](C(=O)O)N	DAL	d-alanine
+CNC(=C)C(=O)O	DAM	n-methyl-alpha-beta-dehydroalanine
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O	DAN	2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
+CCCCCCCCCCCC(=O)O	DAO	lauric acid
+c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)C(=N)N	DAP	6-amidine-2-(4-amidino-phenyl)indole
+[Be](O[P@@](=O)(O)O[P@](=O)(O)OCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F	DAQ	o,p-dinitrophenyl aminopropyldiphosphate beryllium trifluoride
+C(C[C@H](C(=O)O)N)CNC(=[NH2+])N	DAR	d-arginine
+C([C@H](C(=O)O)N)C(=O)O	DAS	d-aspartic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N	DAT	2'-deoxyadenosine-5'-diphosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	DAU	2'deoxy-thymidine-5'-diphospho-alpha-d-glucose
+C(CC[NH3+])CC(=O)O	DAV	delta-amino valeric acid
+c1ccc(cc1)[C@@H](c2cnnn2CC(=O)NCCCS)NC(=O)c3ccc(cc3)S(=O)(=O)N	DAW	n-[(s)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1h-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide
+C[NH+](C)CCNC(=O)c1cccc2c1[nH+]c3c(c2N)cccc3Br	DAX	5-bromo-n[2-(dimethylamino)ethyl]-9-aminoacridine-4-carboxamide
+C[C@@H]1C[C@H]2[C@@H]3C=C(C4=Cc5c(cnn5c6ccccc6)C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)C	DAY	1-[(1r,2r,3as,3bs,10ar,10bs,11s,12as)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone
+N[Zn]N	DAZ	diaminozinc
+C[N@](CC#C)CC1=Cc2ccccc2Oc3c1cccc3	DB0	n-(dibenzo[b,f]oxepin-10-ylmethyl)-n-methyl-n-prop-2-ynylamine
+c1cc(c(c(c1)O)O)C(=O)N	DB1	2,3-dihydroxybenzamide
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C\C/C=C/CCCCC)O)O	DB3	(11z,14e)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
+CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC	DB4	(2r)-3-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate
+C1CCc2c(nn[nH]2)[C@H](CC1)OC(=O)O	DB5	[(4~{s})-4,5,6,7,8,9-hexahydro-1~{h}-cycloocta[d][1,2,3]triazol-4-yl] hydrogen carbonate
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C/C/C=C/CCCCC)O)O	DB6	(11e,14e)-n-[(2s,3s,4r)-1-(alpha-d-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide
+CCCCOC(=O)c1ccccc1C(=O)OCCCC	DB7	dibutyl benzene-1,2-dicarboxylate
+CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC	DB8	4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
+[H]/N=C(\c1ccc(cc1)c2cccc(c2)c3[nH]c4cc(ccc4n3)/C(=N\[H])/N)/N	DB9	2-{4'-[amino(imino)methyl]biphenyl-3-yl}-1h-benzimidazole-6-carboximidamide
+Cc1cccc(c1OCC(=O)O)C	DBA	(2,6-dimethyl-phenoxy)-acetic acid
+CC[C@H](C(=O)O)N	DBB	d-alpha-aminobutyric acid
+C([C@@H]1[C@H](OC(O1)O)CS)S	DBC	(4s,5s)-4,5-bis(mercaptomethyl)-1,3-dioxolan-2-ol
+c1ccc2c(c1)C(=NS2(=O)=O)OC[C@H]3c4c(c(c(s4)NC(=O)C(=O)O)C(=O)O)CCO3	DBD	7-(1,1-dioxo-1h-benzo[d]isothiazol-3-yloxymethyl)-2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid
+c1cc(ccc1C(=O)c2ccc(cc2)O)O	DBE	bis(4-hydroxyphenyl)methanone
+c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O	DBF	dibenzofuran-4,6-dicarboxylic acid
+c1ccc(cc1)C(=O)c2ccc(c(c2)N)N[P@@](=O)(N[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O	DBG	3-aminobenzophenone-4-yl-aminohydroxyphosphinylaminophosphonic acid-guanylate ester
+c1cc(c(c(c1)O)O)C(=O)O	DBH	2,3-dihydroxy-benzoic acid
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O	DBI	phosphoric acid mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl] ester
+c1cc(c2c(c1)OCCO2)CO	DBJ	2,3-dihydro-1,4-benzodioxin-5-ylmethanol
+CCCCCCCCCCCC(=O)O[C@H]1C[C@]([C@H]2C[C@H](C(=C2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C	DBK	(3s,3ar,4s,6s,6as,8r,9bs)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl dodecanoate
+Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O	DBM	9-(6-deoxy-beta-d-allofuranosyl)-6-methylpurine
+c1cc(ccc1c2ccc(s2)c3[nH]c4cc(ccc4n3)C5=NCCN5)C6=NCCN6	DBN	6-(4,5-dihydro-1h-imidazol-2-yl)-2-{5-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]thien-2-yl}-1h-benzimidazole
+Cc1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)C3=Cc4ccccc4Oc5c3cccc5)O	DBO	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methylbenzyl)amino]propyl}dibenzo[b,f]oxepine-10-carboxamide
+c1cc(cc(c1)N)CN	DBP	1,3-diaminobenzyl phenylalanine
+c1c[nH]c2c1/C(=C\3/C(=O)NC(=N3)N)/CCNC2=O	DBQ	debromohymenialdisine
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)C34CC5CC(C3)CC(C5)C4	DBR	adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-butyl-amide
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O	DBS	2-(2,3-dihydroxy-benzoylamino)-3-hydroxy-propionic acid
+CCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O	DBT	5-heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione
+C\C=C(\C(=O)O)/N	DBU	(2z)-2-aminobut-2-enoic acid
+Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C)C=C)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O	DBV	15,16-dihydrobiliverdin
+c1cc(c(c2c1C=C3C4=C(CC5=C(C4)OCO5)C=CN3C2)O)O	DBW	4,14-dihydro-8h-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol
+c1cc(c(cc1O)S(=O)(=O)O)O	DBX	2,5-dihydroxybenzenesulfonic acid
+c1c(cc(c(c1Br)O)Br)C[C@@H](C(=O)O)N	DBY	3,5 dibromotyrosine
+c1ccc(cc1)C(=O)NC[C@@H](C(=O)O)N	DBZ	3-(benzoylamino)-l-alanine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	DC	2'-deoxycytidine-5'-monophosphate
+CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(=O)O)N	DC0	n-[(2s)-2-amino-4-methylpentyl]-l-phenylalanine
+CC1(CC(=O)CC(=O)C1)C	DC1	5,5-dimethylcyclohexane-1,3-dione
+CC(=O)N[C@@H](CS[C@H](CCl)Cl)C(=O)O	DC2	n-acetyl-s-[(1s)-1,2-dichloroethyl]-l-cysteine
+Cc1cccc(c1)c2cn(nn2)CC[C@@H](Cc3cc(c(cc3F)F)F)N	DC3	(2r)-4-[4-(3-methylphenyl)-1h-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine
+c1ccc2c(c1)c3cc(ccc3o2)Cl	DC4	2-chlorodibenzofuran
+c1ccc(cc1)c2c(cccc2Cl)Cl	DC5	2,6-dichlorobiphenyl
+CN(Cc1cccnc1)Cc2nc(cs2)C3(CCNCC3)O	DC7	4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol
+c1cc(ccc1[C@H]2[C@H]3CC(C[C@H]3c4cc(ccc4O2)O)(F)F)O	DC8	(3as,4r,9br)-2,2-difluoro-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
+CCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	DCA	desulfo-coenzyme a
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)F	DCB	2,4-dinitrophenyl-2-deoxy-2-fluoro-beta-d-cellobioside
+CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	DCC	dodecyl-coa
+CCN(CC)C(=S)S	DCD	diethylcarbamodithioic acid
+C(CCl)Cl	DCE	1,2-dichloroethane
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC[C@H]2O	DCF	2'-deoxycoformycin
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	DCG	2'-deoxy-guanosine-5'-monophosphate
+CCOC(=O)[C@@H](Cc1ccc2ccc(cc2c1)C(N)N)c3ccc(cc3)O[C@H]4CCNC4	DCH	3-(7-diaminomethyl-naphthalen-2-yl)-propionic acid ethyl ester
+CC[C@H](C)CN	DCI	2-methyl-butylamine
+C[N+](C)(CCO)Cc1cn(nn1)c2cc(nc(c2)C(=O)O)C(=O)O	DCJ	n-((1-(2,6-dicarboxypyridin-4-yl)-1h-1,2,3-triazol-4-yl)methyl)-2-hydroxy-n,n-dimethylethanaminium
+C[N+](C)(C)C[C@H](CC(=O)O)O	DCK	(2s)-3-carboxy-2-hydroxy-n,n,n-trimethylpropan-1-aminium
+CC(C)C[C@@H](CO)N	DCL	2-amino-4-methyl-pentan-1-ol
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	DCM	2'-deoxycytidine-5'-monophosphate
+c1cc(ccc1Oc2ccc(cc2O)Cl)Cl	DCN	diclosan
+C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O	DCO	3,3-dichloro-2-phosphonomethyl-acrylic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	DCP	2'-deoxycytidine-5'-triphosphate
+CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C	DCQ	2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
+CCCCCCCCCCCCCCCCCCCC(=O)O	DCR	icosanoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O	DCS	d-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-n,o-cycloserylamide
+C1C[C@@H](O[C@@H]1CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	DCT	2',3'-dideoxycytidine 5'-triphosphate
+C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N	DCU	3,8-diamino-5,10'-(trimethylammonium)decyl-6-phenyl phenanthridinium
+CC(=O)N(CC[C@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O	DCV	[(1r)-3-[acetyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid
+C1CCC(CC1)NC(=O)NC2CCCCC2	DCW	dicyclohexylurea
+CCCCCCCCCCP(=O)(C)C	DCX	decyl(dimethyl)phosphine oxide
+C([C@H](C(=O)O)N)S	DCY	d-cysteine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O	DCZ	2'-deoxycytidine
+c1ccc(c(c1)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N)F	DD1	5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
+c1cc(c(c(c1)Cl)Cl)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N	DD2	5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
+C[C@@H](c1cccc(c1)Cl)Oc2cccc3c2c(nc(n3)N)N	DD3	5-[(1s)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
+Cc1ccc(cc1F)c2nc(on2)[C@H]3C[C@H](CN3)O	DD4	(3r,5r)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
+c1cc(c(cc1c2ccn(n2)C[C@@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F	DD5	(2~{r})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
+CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C\[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C	DD6	(3s,3'r,5r,6s,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol
+c1ccc(cc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)Sc4ccccc4	DD7	(1s,2s,3s,4r,5r)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+CN1c2cnc3ccc(cc3c2N(C1=O)C4CCOCC4)c5cccnc5	DD8	3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one
+CCCCCCCCC	DD9	nonane
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)O	DDA	beta-d-olivopyranose
+C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O	DDB	3-methyl-2,6-dideoxy-beta-d-allopyranose
+c1ccc(cc1)[C@@H]2CC(=O)c3ccc(cc3O2)O	DDC	7-hydroxy-2-phenyl-chroman-4-one
+C1CC(=O)N2C[N@]([C@@H]1C(=O)O)CSC[C@H]2C(=O)NCC(=O)O	DDD	(5r,10s)-5-{[(carboxymethyl)amino]carbonyl}-7-oxo-3-thia-1,6-diazabicyclo[4.4.1]undecane-10-carboxylic acid
+C[N+](C)(C)[C@H](CCc1[nH]cc(n1)C[C@@H](C(=O)O)N)C(=O)N	DDE	{3-[4-(2-amino-2-carboxy-ethyl)-1h-imidazol-2-yl]-1-carbamoyl-propyl}-trimethyl-ammonium
+c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	DDF	5,10-dideazatetrahydrofolic acid
+c1nc2c(n1[C@H]3CC[C@H](O3)COP(=O)(O)O)N=C(NC2=O)N	DDG	2',3'-dideoxy-guanosine-5'-monophosphate
+Cc1c2n3c(c1C(=O)C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C(=C)O)C)CCC(=O)O)C	DDH	[7,12-deacetyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoato(2-)-n21,n22,n23,n24]-iron
+c1ccc2cc3c(cc2c1)[C@H]4[C@@H](C3=O)C[C@@H]([C@@]45c6ccccc6CCC5=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)N	DDI	spiro[naphthalene-2(3h),3'(10'h)-pentaleno[1,2-b]naphthalene]-3,10'-dione, 2'-[(2-amino-2-deoxy-b-d-gulopyranosyl)oxy]-1,1',2',3'a,4,10'a-hexahydro-,(2'r,3'as,10'ar)-(9ci)
+COc1cc(ccc1N)c2ccc(c(c2)OC)N	DDJ	3,3'-dimethoxybiphenyl-4,4'-diamine
+C(CC[C@@H](C[SeH])C(=O)O)CCN	DDK	(2r)-7-amino-2-(selanylmethyl)heptanoic acid
+C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)O	DDL	2,6-dideoxy-beta-d-galactopyranose
+C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O	DDM	2-hydroxymethyl-piperidine-3,4,5-triol
+C1[C@@H]([C@H](O[C@H]1N2C=C[C@H](NC2=O)O)COP(=O)(O)O)O	DDN	3,4-dihydro-2'-deoxyuridine-5'-monophosphate
+C(CCO)C[C@H](C(=O)O)N	DDO	6-hydroxy-d-norleucine
+c1(c(nc(nc1O)N)O)N	DDP	2,4-diamino-4,6-dihydroxypyrimidine
+CCCCCCCCCC[N+](C)(C)[O-]	DDQ	decylamine-n,n-dimethyl-n-oxide
+CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC	DDR	(2s)-3-hydroxypropane-1,2-diyl didecanoate
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N	DDS	2',3'-dideoxyadenosine triphosphate
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccc(cc3)OS(=O)(=O)c4cccc5c4cccc5N(C)C)C(=O)O	DDT	n,o-didansyl-l-tyrosine
+C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O	DDU	2'-5'dideoxyuridine
+c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)NCC4CC4)O	DDV	(1s,2s,3s,4r,5r)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
+C(CC[C@@H](CS)C(=O)O)CCN	DDW	(2r)-7-amino-2-(sulfanylmethyl)heptanoic acid
+C1=C[C@H](O[C@@H]1COP(=O)(O)O)O	DDX	2',3'-dehydro-2',3'-dideoxyribofuranose-5'-phosphate
+C1C[C@@H](O[C@@H]1CO[P@@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	DDY	2',3'-dideoxycytosine-5'-diphosphate
+[C@H](C(O)O)(C(=O)O)N	DDZ	3,3-dihydroxy l-alanine
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CCNC1=O)CCCCN)CCCCN	DE0	1-[(9~{r},16~{s},19~{s})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine
+CCCCCCCCCCO	DE1	decan-1-ol
+CC(=O)[C@H](CO)O	DE2	1-deoxy-l-erythrulose
+CCN(CC)C(=O)c1cccc(c1)C	DE3	n,n-diethyl-3-methylbenzamide
+c1ccc(cc1)CN2CC[C@H](C2)Nc3ccc(c(c3)[N](=O)O)CO	DE4	[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-[[(3~{r})-1-(phenylmethyl)pyrrolidin-3-yl]amino]phenyl]methanol
+c1csc(n1)NC(=O)CN	DE5	2-azanyl-~{n}-(1,3-thiazol-2-yl)ethanamide
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)[C@@H](NC1=O)C)CCCCN)CCCCN	DE6	1-[(5~{s},8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
+c1cc(c(cc1N[C@H]2CCCNC2)[N+](=O)[O-])CO	DE7	(2-nitro-4-{[(3s)-piperidin-3-yl]amino}phenyl)methanol
+Cc\1c/c/2c/c3n/c(c\c4c(c(c([nH]4)/cc/5\nc(/cc1\[nH]2)C(=C5CCC(=O)O)C)CCC(=O)O)C)/C=C3C	DE9	3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid
+c1nc(c2c(n1)n(cn2)C[C@H]([C@H](C(=O)O)O)O)N	DEA	d-eritadenine
+CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C	DEB	6-deoxyerythronolide b
+C(CCCCC(=O)O)CCCC(=O)O	DEC	sebacic acid
+CN(C)CCO[P@@](=O)(O)OP(=O)(O)O	DED	2-dimethylamino-ethyl-diphosphate
+CCOC(=O)c1c([nH]nc1C)C	DEE	3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
+CCC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCNOS(=O)(=O)C	DEF	deferoxamine mesylate fe(iii) complex
+CCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	DEG	butyl alpha-d-mannopyranoside
+COc1ccc2cc-3[n+](cc2c1O)CCc4c3cc(c(c4)OC)O	DEH	2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium
+CS\C=C(\C(=O)O)/O	DEI	(2z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid
+CC(C)N[C@@H](CSC[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)C(=O)NCc3cccnc3	DEJ	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
+C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)CO	DEL	4-deoxylactose
+CCCCCCCCCCOCO	DEM	decyloxy-methanol
+c1ccc2c(c1)CC=C2	DEN	indene
+CCOc1ccc(cc1)c2ccc(cc2)C(=O)C[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)O	DEO	2-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]-4-(4'-ethoxy-1,1'-biphenyl-4-yl)-4-oxobutanoic acid
+CCOP(=O)OCC	DEP	diethyl phosphonate
+Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N)C)N	DEQ	dequalinium
+C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O	DER	d-4-phosphoerythronic acid
+CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O	DES	diethylstilbestrol
+CCCCCCCCCCC[N+](C)(C)[O-]	DET	undecylamine-n,n-dimethyl-n-oxide
+Cc1cc2cc3[n+]4c(cc5c(c(c6n5[Co+3]47n2c1cc8[n+]7c(c6)C(=C8)C)C)CCC(=O)O)C(=C3C)CCC(=O)O	DEU	co(iii)-(deuteroporphyrin ix)
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSC[C@H](C(=O)NCc2cccnc2)Nc3ccccc3	DEV	tert-butyl [(2s)-1-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+c1csc2c1CN(CC2)C(=O)CN	DEW	2-azanyl-1-(6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-yl)ethanone
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C	DEX	dexamethasone
+CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)O[C@H](C)C(=O)N	DEY	(2r)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothia diazin-7-yl}oxy)propanamide
+C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O	DEZ	4-phospho-d-erythronate
+c1ccc(cc1)c2ccc(cc2F)CC(=O)O	DF0	(2-fluorobiphenyl-4-yl)acetic acid
+C[C@H](CNc1c2c(c([nH]c2ncn1)c3ccccc3)c4ccccc4)O	DF1	(2r)-1-[(5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
+c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NC[C@H](CO)O	DF2	(2r)-3-{[(4z)-5,6-diphenyl-6,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-ylidene]amino}propane-1,2-diol
+c1ccc2c(c1)c(cn2CCNC(=O)c3cccc(c3)C(F)(F)F)SCC(=O)Nc4ccc5c(c4)OCCO5	DF3	n-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1h-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
+CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)[O-])F)O	DF4	(3r,4r,5r,6r)-5-(acetylamino)-3-fluoro-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4,5,6-tetrahydropyranium-2-carboxylate
+COc1ccc2c(c1)ccc[n+]2C(=O)c3ccc(cc3)S(=O)(=O)N	DF5	6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium
+COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4	DF6	n-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide
+c1ccc2c(c1)c(c[nH]2)CN3CC[C@H](C3)Nc4ccc(c(c4)[N](=O)O)CO	DF7	[4-[[(3~{r})-1-(1~{h}-indol-3-ylmethyl)pyrrolidin-3-yl]amino]-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methanol
+c1nc(c2c(n1)n(c(n2)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	DF8	(2~{r},3~{r},4~{s},5~{r})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
+c1ccc(cc1)CSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N	DF9	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol
+c1ccc(cc1)C(c2ccccc2)C(=O)O	DFA	diphenylacetic acid
+c1cc(c(c(c1)F)F)CO	DFB	2,3-difluorobenzyl alcohol
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	DFC	2'-deoxy-l-ribo-furanosyl cytosine-5'-monophosphate
+CCCCCCCCCCOC=O	DFD	decyl formate
+CC(OCC(F)(F)F)(F)F	DFE	2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane
+c1ccc(cc1)C(=O)c2ccc(cc2)C[C@H](C(=O)O)N	DFF	4-benzoyl-d-phenylalanine
+c1nc2c(n1[C@@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	DFG	2'-deoxy-l-ribo-furanosyl guanine-5'-monophosphate
+CC(c1ccccc1)(c2ccccc2)O	DFH	1,1-diphenylethanol
+CC(C)C[C@@H]([C@H](C(C(=O)O)(F)F)O)N	DFI	2,2-difluorostatine
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N)NC(=O)Cc3ccc(cc3)C(F)(F)P(=O)(O)O	DFJ	n-({4-[difluoro(phosphono)methyl]phenyl}acetyl)-l-phenylalanyl-4-[difluoro(phosphono)methyl]-l-phenylalaninamide
+[H]/N=C(/N)\NCCC[C@@H](C(C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)N	DFK	d-phenylalanyl-n-[(1s)-4-{[(z)-amino(imino)methyl]amino}-1-(chloroacetyl)butyl]-l-prolinamide
+c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O	DFL	2-(4-hydroxy-phenyl)-chroman-4-one
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N	DFM	n-acetyl-l-phenylalanyl-4-[difluoro(phosphono)methyl]-l-phenylalaninamide
+Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O	DFN	3-[3-(2,3-dihydroxy-propylamino)-phenyl]-4-(5-fluoro-1-methyl-1h-indol-3-yl)-pyrrole-2,5-dione
+CC(C)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N	DFO	2,2-difluoro-3-hydrostatine
+CC(C)OP(=O)OC(C)C	DFP	diisopropyl phosphonate
+C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2ccc3c(c2)cc(cn3)/C=C/C(=O)NC	DFQ	(2e)-3-{6-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-n-methylprop-2-enamide
+C[C@H]1[C@@H]([C@H](O[C@@]1(CO)O)CO)O	DFR	3-deoxy-3-methyl-beta-d-fructofuranose
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c(nc2)nc[nH]3)F	DFS	2,6-difluoro-n-(1h-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide
+Cc1cc(c(cc1F)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	DFT	1-[2-deoxyribofuranosyl]-2,4-difluoro-5-methyl-benzene-5'monophosphate
+C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O	DFU	(2s,3r,4s,5r)-2-methylpiperidine-3,4,5-triol
+c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O	DFV	7-hydroxy-2-(4-hydroxy-phenyl)-chroman-4-one
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCC(=O)O	DFW	n-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)glycine
+C1[C@H]([C@@H]([C@H](CO1)F)O)O	DFX	1,5-anhydro-2-deoxy-2-fluoro-d-xylitol
+CN(CCO)c1c2c(c(oc2ncn1)c3ccccc3)c4ccccc4	DFY	(5,6-diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-acetic
+c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NCCO	DFZ	3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	DG	2'-deoxyguanosine-5'-monophosphate
+[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O)O)O)C(=O)O)O)O	DG0	4-o-alpha-d-galactopyranuronosyl-alpha-d-galactopyranuronic acid
+c1cnccc1C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O	DG1	(4s)-isonicotinic-acetyl-nicotinamide-adenine dinucleotide
+C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O	DG2	(2r)-2,3-diphosphoglyceric acid
+c1nc2c(n1[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N	DG3	2'-3'-dideoxyguanosine-5'-triphosphate
+C([C@@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O	DG4	phosphono (2s)-2-oxidanyl-3-phosphonooxy-propanoate
+C(CO)[C@H]([C@@H](C(COP(=O)(O)O)O)O)O	DG6	2-deoxy-glucitol-6-phosphate
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4cccnc4	DG7	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)Nc5nc6c(n5[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)N=C(NC6=O)N	DG8	2'-deoxy-8-(pyren-1-ylamino)guanosine 5'-(dihydrogen phosphate)
+CC(C)[C@H]([C@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P+](=O)[O-])O)N	DG9	5'-({[(2r,3r)-3-amino-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC	DGA	diacyl glycerol
+c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3	DGB	(2e)-n-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide
+C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O	DGC	4-deoxy-alpha-l-threo-hex-4-enopyranuronic acid
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC	DGD	digalactosyl diacyl glycerol (dgdg)
+C[C@H]([C@@H](C=O)[C@@H]1N=C(C(S1)[C@H]2CCCO2)C(=O)O)O	DGF	(2r,5r)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-5-[(2r)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC	DGG	1-[glycerolylphosphonyl]-2-[8-(2-hexyl-cyclopropyl)-octanal-1-yl]-3-[hexadecanal-1-yl]-glycerol
+c1cc(ccc1[C@H](C(=O)O)N)O	DGH	(2r)-amino(4-hydroxyphenyl)acetic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	DGI	2'-deoxyguanosine-5'-diphosphate
+C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O	DGJ	(2r,3s,4r,5s)-2-(hydroxymethyl)piperidine-3,4,5-triol
+C(CC(=O)O)[C@H](C(=O)O)N	DGL	d-glutamic acid
+[CH+]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	DGM	d-glucopyranosylium
+C(CC(=O)N)[C@H](C(=O)O)N	DGN	d-glutamine
+C1=CO[C@@H]([C@H]([C@@H]1O)O)CO	DGO	d-glucal
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	DGP	2'-deoxyguanosine-5'-monophosphate
+[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	DGQ	(s)-2-(3-((s)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid
+c1cc(cnc1)C(=O)NNC(=O)/C=C/C(=O)O	DGR	(e)-4-(2-nicotinoylhydrazinyl)-4-oxobut-2-enoic acid
+C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)OS(=O)(=O)O)O	DGS	3,6-anhydro-2-o-sulfo-alpha-d-galactopyranose
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	DGT	2'-deoxyguanosine-5'-triphosphate
+C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O	DGU	d-galacturonic acid
+c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC(CC3)c4c(cccc4Cl)Cl	DGV	1-benzyl-n-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-d-prolinamide
+Cc1cccc2c1CC[C@@H](C[C@@H]2O)CN3CCC(CC3)c4c(cccc4Cl)Cl	DGW	(5s,7s)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ol
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O	DGX	digoxin
+C([C@H](C(=O)O)O)O	DGY	(2r)-2,3-dihydroxypropanoic acid
+C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O	DGZ	n-((2r,3s,6s,18s,21s)-2-amino-18-(4-benzoylbenzyl)-21-carbamoyl-3-hydroxy-6-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-1-phenyl-11,14-dioxa-5,8,17,20-tetraazapentacosan-25-yl)hex-5-ynamide
+COc1ccc(cc1Cc2cnc(nc2N)N)OCCCCC(=O)O	DH1	2,4-diamino-5-[2-methoxy-5-(4-carboxybutyloxy)benzyl]pyrimidine
+c1cc(c(cc1[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O	DH2	(2s,3s)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one
+COc1cc(cc(c1OC)C#CCCCC(=O)O)Cc2cnc(nc2N)N	DH3	2,4-diamino-5-[3',4'-dimethoxy-5'-(5-carboxyl-1-pentynyl)]benzyl pyrimidine
+CC1(C(NC(S1)[C@H](C=O)/N=C/N2CCCCCC2)C(=O)O)C	DH4	2-[(1r)-1-{[(e)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+Cc1cc(ccc1Br)CN2C(=C(C(=O)NC2=O)N(C)S(=O)(=O)c3ccccc3)N	DH5	n-(6-amino-1-(4-bromo-3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+c1ccc(cc1)/C=C/C(=O)N	DH6	cinnamide
+CC(=CCC/C(=C/CCC(=C=CC=C=C(CC/C=C(/CCC=C(C)C)\C)C)C)/C)C	DH7	(6e,10r,13s,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene
+C/C=C/1\[C@@H]2C[C@H]3[C@@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5OC(=O)C)[N@]3[C@@H]1O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)c7ccccc7N4	DH8	(2beta,7beta,16s,17r,19e,21beta)-21-(beta-d-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate
+CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O	DH9	(2s,3s,5s)-5-[(n-formyl-l-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid
+C=C(C(=O)O)N	DHA	2-amino-acrylic acid
+c1cc(c(cc1C(=O)O)O)O	DHB	3,4-dihydroxybenzoic acid
+c1cc(c(cc1\C=C\C(=O)O)O)O	DHC	caffeic acid
+C(C(=O)C(=O)O)C(=O)C(=O)O	DHD	2,4-dioxo-pentanedioic acid
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=[N]7[Fe]3(N45)[N]8=C(C=C7[C@@](C6=O)(C)CC(=O)O)C(=O)[C@](C8=C2)(C)CC(=O)O)C)CCC(=O)O	DHE	heme d
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N	DHF	dihydrofolic acid
+CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@@](=O)(O)OCCO	DHG	phosphonic acid 2-dodecanoylamino-hexyl ester propyl ester
+C(CCC(O)O)C[C@@H](C(=O)O)N	DHH	(s)-2-amino-7,7-dihydroxyheptanoic acid
+c1c([nH+]c[nH]1)C[C@H](C(=O)O)N	DHI	d-histidine
+C(C[P@](=O)(CC(=O)CC(=O)O)O)C(=O)O	DHJ	4-(2-carboxyethyl)(hydroxy)phosphoryl]-3-oxobutanoic acid
+C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O	DHK	3-dehydroshikimate
+C(CS)N	DHL	2-amino-ethanethiol
+C[C@H](CCCC(C)(C)O)C=C	DHM	2,6-dimethyl-7-octen-2-ol
+C(C[C@@H](C(=O)O)N)CO	DHN	5-hydroxy norvaline
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	DHO	deoxycholic acid
+CCCCCCCCCCC1=C(C(=O)NC1=O)O	DHP	3-decyl-2,5-dioxo-4-hydroxy-3-pyrroline
+Cc1cccc2c1CCNC2=O	DHQ	3,4-dihydro-5-methyl-isoquinolinone
+c1cc(ccc1[C@@H](C#N)O)O	DHR	(2s)-hydroxy(4-hydroxyphenyl)ethanenitrile
+C1[C@H]([C@@H](C(C=C1C(=O)[O-])N)O)O	DHS	3-amino-4,5-dihydroxy-cyclohex-1-enecarboxylate
+C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C	DHT	5-alpha-dihydrotestosterone
+C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	DHU	5,6-dihydrouridine-5'-phosphate
+CC(C)([C@H](C(=O)O)N)O	DHV	3-hydroxy-d-valine
+c1cc(c(cc1CC(=O)O)O)O	DHY	2-(3,4-dihydroxyphenyl)acetic acid
+C1C=CN(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	DHZ	3,4-dihydro-1h-pyrimidin-2-one nucleoside
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O	DI	2'-deoxyinosine-5'-monophosphate
+CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O	DI0	dirithromycin
+CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(c(c3)Oc4ccc5c(c4)CC(=O)N5)C	DI1	4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide
+B([C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O	DI2	ac-(d)phe-pro-borolys-oh
+B([C@H](CCCCC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O	DI3	ac-(d)phe-pro-boro-n-butyl-amidino-glycine-oh
+B([C@H](CCCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O	DI4	ac-(d)phe-pro-borohomolys-oh
+B([C@H](CCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C)(O)O	DI5	ac-(d)phe-pro-borohomoornithine-oh
+C(CC(=O)O)[C@H]1C(=O)NC(=O)N1	DI6	3-[(4s)-2,5-dioxoimidazolidin-4-yl]propanoic acid
+Cc1cc(cc(c1C[C@@H](C(=O)O)N)C)O	DI7	2,6-dimethyl-l-tyrosine
+c1ccc2c(c1)C[C@H](NC2)C(=O)O	DI8	(3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
+C1CCC(C1)OP(=O)(N)OC2CCCC2	DI9	dicyclopentyl phosphoramidate
+C(CCCCN)CCCN	DIA	octane 1,8-diamine
+CN(C)CCCN	DIB	3-amino-(dimethylpropylamine)
+c1ccc2c(c1)C(=C(OC2=O)Cl)Cl	DIC	3,4-dichloroisocoumarin
+c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N	DID	4,4'[1,6-hexanediylbis(oxy)]bisbenzenecarboximidamide
+CCc1cccc(c1O)CC	DIE	2,6-diethylphenol
+c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl	DIF	2-[2,6-dichlorophenyl)amino]benzeneacetic acid
+C([C@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O	DIG	2,5-dideoxy-2,5-imino-d-glucitol
+c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO	DIH	7-[[(3r,4r)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
+CC(C)OP(=O)(C)OC(C)C	DII	methylphosphonic acid diisopropyl ester
+CC(=CC(=O)CCc1ccc(cc1)NC(=O)CCCC(=O)O)C	DIK	5-{[4-(5-methyl-3-oxohex-4-en-1-yl)phenyl]amino}-5-oxopentanoic acid
+CC[C@@H](C)[C@H](C(=O)O)N	DIL	d-isoleucine
+Cn1cc(nc1C(=O)Nc2cn(c(n2)C(=O)NCCC(=[NH2+])N)C)NC=O	DIM	diimidazole lexitropsin
+c1cc2cc(ccc2c(c1)O)O	DIN	1,6-dihydroxy naphthalene
+C1COCCO1	DIO	1,4-diethylene dioxide
+CCCCCNCCCCC	DIP	dipentylamine
+C[N@@]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)O	DIQ	2-methyl-decahydro-isoquinoline-3-carboxylic acid
+C([C@@H](C(=O)O)N)N/C(=N/O)/N	DIR	3-{[(e)-amino(hydroxyimino)methyl]amino}alanine
+O	DIS	disordered solvent
+COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)C6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC	DIT	ditercalinium
+c1c(cc(c(c1C(=O)O)O)I)I	DIU	2-hydroxy-3,5-diiodo-benzoic acid
+CC[C@](C)(C(=O)O)N	DIV	d-isovaline
+CC\1(c2ccccc2N(/C1=C/C=C/c3cc[n+](c4c3cccc4)CCCS(=O)(=O)O)C)C	DIW	1-(3-sulfopropyl)-4-[(1e,3e)-3-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)prop-1-en-1-yl]quinolinium
+CNCCCC1CCCC1	DIX	methyl(cyclopentyl-propyl)amine
+CCCC[C@@H]1CCCNC1	DIY	5-butylpiperidine
+c1cc(ccc1[C@H]2C(=O)Nc3ccc(cc3C(=O)N2[C@@H](c4ccc(cc4)Cl)C(=O)O)I)Cl	DIZ	(4-chlorophenyl)[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4h-1,4-benzodiazepin-4-yl]acetic acid
+c1ccc(cc1)COc2c(cc(cc2F)F)CCC=O	DJ0	3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSC[C@@H](C(=O)NCc3cccnc3)NC4CCCC4	DJ1	tert-butyl [(2s)-1-{[(2r)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1h-indol-3-yl)propan-2-yl]carbamate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CON)O)O)N	DJ2	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol
+CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@@H](O1)CCCC(=O)O	DJ3	5s-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid
+c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N](=O)O)CO)C(F)(F)F	DJ4	[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-[[(3~{s})-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]phenyl]methanol
+c1cc(cnc1)NC(=O)c2cc(sc2Cl)Cl	DJ6	2,5-dichloro-n-(pyridin-3-yl)thiophene-3-carboxamide
+Cc1cc(ccc1CNC(=O)Nc2ccc-3cc2OCCOCCNc4ccn5c(c3cn5)n4)Cl	DJ8	1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea
+COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4ccc5cc[nH]c5c4	DJ9	2-(1h-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1h-imidazo[4,5-c]pyridine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)OC(=O)C	DJB	3-o-acetyl-2-acetamido-2-deoxy-alpha-d-galactopyranuronic acid
+c1cc(ccc1CCC=O)c2cc(ccc2C(F)(F)F)F	DJC	3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal
+Cc1nnc(nn1)c2ccc(cc2)C[C@@H](C(=O)O)N	DJD	4-(6-methyl-1,2,4,5-tetrazin-3-yl)-l-phenylalanine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)O	DJE	2-acetamido-2-deoxy-alpha-d-galactopyranuronic acid
+[B-]12(c3c(cccc3OCCCO)CO1)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	DJF	[(1s,5r,6r,8r)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate
+Cc1cccc2c1C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F	DJH	2-[1'-(1~{h}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{n}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@H](P(=O)(O)O)Cl)O)O	DJJ	5'-o-[(r)-{[(r)-[(s)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine
+C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	DJK	n-[4-(3-bromo-phenylamino)-quinazolin-6-yl]-acrylamide
+CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH3+]	DJL	(1r)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propan-1-aminium
+Cc1cc(cc(c1)n2ccnc2SCC(=O)NO)C	DJM	2-{[1-(3,5-dimethylphenyl)-1h-imidazol-2-yl]sulfanyl}-n-hydroxyacetamide
+CC(=O)N[C@H]1CN[C@@H]([C@@H]([C@@H]1O)O)CO	DJN	n-[(3s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
+c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2CO	DJO	(phenylmethyl) (2s)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
+c1c(cnc(n1)O)F	DJP	5-fluoropyrimidin-2-ol
+c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)Cc6nc(no6)C7CC7	DJQ	3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{h}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	DJR	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]carbamate
+CC[C@H](C)Nc1cc(cc(n1)S(=O)(=O)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H]([C@H]3CCCN3)O	DJS	2-{[(2s)-butan-2-yl]amino}-n-{(1r,2s)-1-hydroxy-3-phenyl-1-[(2r)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)F)S(=O)(=O)c5ccccc5Cl	DJT	(2s,4r)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+CN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3	DJU	n,n-dimethyl-1-(5-phenylmethoxy-1h-indol-3-yl)methanamine
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2C[C@H](CN2)OCC3CCCCC3)O	DJV	n-[(1r,2s)-1-[(2r,4r)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide
+COc1ccc2c(n1)C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)N6CCC[C@H]6C(F)(F)F	DJW	1-(1~{h}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{s})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one
+CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccncc4	DJX	n-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
+[H]/N=C(\c1ccc(cc1)NC(=O)c2cc(c(cc2c3ccc(nc3C(=O)O)C(=O)NCC4CC4)OC)C=C)/N	DJY	3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid
+Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)Cc4ccc(cc4)S(=O)(=O)C)C)C#N	DJZ	3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile
+C[C@H](Cc1ccccc1)O	DK0	(2~{r})-1-phenylpropan-2-ol
+c1c(cc(c2c1nc(cc2O)C(=O)O)Cl)Cl	DK1	5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid
+c1cc(ccc1C[C@H](C(=O)O)N2C(=O)c3ccc(cc3C2=O)C(=O)O)O	DK2	2-[(1r)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxoisoindoline-5-carboxylic acid
+CCCCCCCCC[C@@H](CC(=O)OC)O	DK3	methyl (3s)-3-hydroxydodecanoate
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O)F	DK4	1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3C[C@H]([C@@H]([C@H](O3)CO)O)F	DK5	1-(2,3-dideoxy-3-fluoro-beta-d-arabino-hexopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1h)-one
+CCC(O)O	DK6	propane-1,1-diol
+CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2CO[C@H](CN2)OCC3CCCCC3)O	DK7	n-[(1s,2s)-1-[(3r,6r)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C)/C)/C)C	DK8	2-[(2~{e},6~{e},10~{z},14~{e},18~{e},22~{e},26~{e})-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-dione
+CCCCC(O)O	DK9	pentane-1,1-diol
+CCCCCCCCCC(=O)O	DKA	decanoic acid
+c1ccc(cc1)CCc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O	DKD	(2s)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid
+CC1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H](C4([C@H]1O4)C)OC(=O)CCCCc5cn(nn5)CCCNC(=O)c6ccc(c(c6)C7=C8C=CC(=O)CC8=Oc9c7ccc(c9)O)C(=O)O)C)\C)OC)(NC(=O)O2)O	DKE	fcmaytansine
+CCCCCC(O)O	DKF	hexane-1,1-diol
+Cc1ccnnc1	DKG	4-methylpyridazine
+Cc1ccc(cc1NS(=O)(=O)C)c2cc(c3nnc(n3n2)C)NC(=O)CCNC(=O)C(CN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NC(CN)C(=O)NCC(=O)[N]c4[c]c(nn5c4nnc5[C])c6[c][c]c(c([c]6)[N]S(=O)(=O)[C])[C]([C])[C]	DKH	3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{n}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide
+c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F	DKI	5-amino-3-{[4-(aminosulfonyl)phenyl]amino}-n-(2,6-difluorophenyl)-1h-1,2,4-triazole-1-carbothioamide
+C[C@H]1[C@@H](OC[C@@H](N1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)C)O)OCC(C)(C)C	DKJ	n-{(1s,2s)-3-(3,5-difluorophenyl)-1-[(3r,5s,6r)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide
+[H]/N=C(\N)/NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccn2)(F)F)C#N	DKK	n-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide
+CCCCCCC(O)O	DKL	heptane-1,1-diol
+CN1CC2=CSC3=C(C(=O)c4cc(c(c1c4N23)N5C[C@@H]([C@H](C5)O)N(C)C)F)C(=O)O	DKM	5-[(3s,4s)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-6-fluoro-4-methyl-8-oxo-3,4-dihydro-8h-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid
+C/C=C/[C@H](O)[C@](C(=O)OC)([C@H]1OC(=O)c2nc(oc2)/C=C/C=C/C=C\C[C@H](OC(=O)c3nc(oc3)/C=C/C=C/C=C\C1)[C@@](C(=O)OC)([C@@H](O)/C=C/C)C)C	DKN	disorazole z
+CCCCCCCC(O)O	DKO	octane-1,1-diol
+CCCO[C@H](c1ccccc1Cl)c2cc3c([nH]2)c(ccn3)C(=O)O	DKP	2-[(r)-(2-chlorophenyl)(propoxy)methyl]-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+[H]/N=C(/c1ccc(cc1)Cl)\N	DKQ	4-chloranylbenzenecarboximidamide
+Cc1ccc(cc1)CNC(=O)c2ccc[nH]2	DKR	n-[(4-methylphenyl)methyl]-1h-pyrrole-2-carboxamide
+c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCC(CC4)(F)F)Cl	DKS	2-{(s)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3CCCCC3)C(=O)O	DKT	4-[2-(3-benzyloxycarbonylamino-4-cyclohexyl-1-hydroxy-2-oxo-butylamino)-5-guanidino-pentanoylamino]-4-(1-carboxy-2-cyclohexyl-ethylcarbamoyl)-butyric acid
+Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccccc5C4=O	DKU	3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
+c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCC4CCC(CC4)(F)F)Cl	DKV	2-{(s)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+C#CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	DKW	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-prop-2-ynyl-oxolane-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O	DKX	1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)F)O	DKY	1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1h)-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O	DKZ	4-amino-1-(3-deoxy-3-fluoro-beta-d-glucopyranosyl)pyrimidin-2(1h)-one
+Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccc(cc5C4=O)Cl	DL0	6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
+COc1cc(ccc1NC(=O)c2cccc(n2)c3ccn[nH]3)N4CCOCC4	DL1	n-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1h-pyrazol-5-yl)pyridine-2-carboxamide
+c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)CC4=NC(=O)C(=CC4)Cl	DL2	5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{h}-pyridin-6-one
+CNc1nccc(n1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5	DL3	~{n}1-[(4-chlorophenyl)methyl]-~{n}1-cyclopentyl-~{n}4-[[2-(methylamino)pyrimidin-4-yl]methyl]-~{n}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide
+C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	DL4	(14beta,17alpha,25r)-3-oxocholest-4-en-26-oic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N	DL5	spiro(2,4,6-trinitrobenzene[1,2a]-o2',o3'-methylene-adenosine (beta,gamma-methylene)triphosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CN=[N+]=[N-])O)O)O)O	DL6	n-(azidoacetyl)-beta-d-glucopyranosylamine
+C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C	DL7	(5beta,14beta,17alpha,25r)-3-oxocholest-7-en-26-oic acid
+c1ccc(cc1)c2cn(nn2)CC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	DL8	n-[(4-phenyl-1h-1,2,3-triazol-1-yl)acetyl]-beta-d-glucopyranosylamine
+c1ccc(cc1)/C(=C(\c2ccc(cc2)C3CCN(CC3)C4CC4)/c5ccc(cc5)O)/CCCO	DL9	(e)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol
+C[C@H](C(=O)O)O	DLA	d-lactic acid
+CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccc(cc4O3)CCC(=O)O	DLB	3-[1'-[(2~{s})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid
+C[C@H]1/C(=C\C=C\2/C[C@H](C[C@@H](C2=C)O)O)/CCC[C@]1(C)[C@H](C)[C@H](C)C[C@H]3C[C@@](C(=O)N3CCc4ccccc4)(C)O	DLC	(3r,5s)-5-{(2r,3r)-3-[(1r,2s,3z)-3-{(2e)-2-[(3s,5r)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-1,2-dimethylcyclohexyl]-2-methylbutyl}-3-hydroxy-3-methyl-1-(2-phenylethyl)pyrrolidin-2-one
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)OCCN=[N+]=[N-])CO)CO)O)O	DLD	2-azidoethyl 2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]-2-deoxy-beta-d-glucopyranoside
+CC(C)C[C@H](C(=O)O)N	DLE	d-leucine
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O)O)O	DLF	2-deoxy-alpha-l-fucopyranose
+CCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O	DLG	hexyl 3-deoxy-beta-d-galactopyranoside
+c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl	DLH	2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone
+CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F	DLI	(3r,4s)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
+CN1CCC[C@@H]1CCO[C@@H](c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O	DLJ	2-[(s)-(2-chlorophenyl){2-[(2r)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+CC(=C1C(=O)CC(CC1=O)c2ccccc2)Nc3ccccc3OC	DLK	2-{1-[(2-methoxyphenyl)amino]ethylidene}-5-phenyl-1,3-cyclohexanedione
+c1ccc(cc1)CC(=O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	DLL	5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine
+c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O	DLM	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium
+CC(C)n1c2c(c(n1)C#Cc3cccc(c3)O)c(ncn2)N	DLN	3-{[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol
+CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC	DLP	1,2-dilinoleoyl-sn-glycero-3-phosphocholine
+c1ccc(cc1)CN2[C@H](SCC2=O)c3ccc4c(c3)cn[nH]4	DLR	(2r)-3-benzyl-2-(1h-indazol-5-yl)-1,3-thiazolidin-4-one
+CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)C	DLS	di-acetyl-lysine
+C[N+](C)(CCCC(=O)O)CCF	DLT	3-carboxy-n-(2-fluoroethyl)-n,n-dimethylpropan-1-aminium
+C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCc4ccc(cc4F)F)O	DLU	(4r,12as)-n-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
+CCOc1ccccc1/N=C(\C)/C2=C(C[C@@H](CC2=O)c3ccccc3)O	DLW	(5~{s})-2-[(~{e})-~{n}-(2-ethoxyphenyl)-~{c}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one
+C[C@H](CCCC(C)C)CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C	DLX	2-[(2~{e},6~{e},10~{z},14~{z},18~{z},23~{r})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione
+C(CCN)C[C@H](C(=O)O)N	DLY	d-lysine
+CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C	DLZ	1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2h)-yl)-d-ribitol
+CN(C)CCCC[C@@H](C(=O)O)N(C)C	DM0	n~2~,n~2~,n~6~,n~6~-tetramethyl-l-lysine
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O	DM1	daunomycin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O	DM2	doxorubicin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O	DM3	6-deoxydaunomycin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3)C(=O)c5cccc(c5C4=O)O)O)(C(=O)CO)O)N)O	DM4	1-o-demethyl-6-deoxydoxorubicin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N)O	DM5	idarubicin
+C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[NH3+])O	DM6	4'-epidoxorubicin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[NH3+])I	DM7	4'-deoxy-4'-iododoxorubicin
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)Br)N)O	DM8	2'-bromo-4'-epidaunorubicin
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)c(c5cccc(c5c4O)OC)O)O)(C(=O)C)O)[N@@](CCOC)CO)O	DM9	n-hydroxymethyl-n-(2-methoxyethyl)-daunomycin
+CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C	DMA	dimethylallyl diphosphate
+Cc1cc(cc(c1O)C)N=Nc2ccccc2C(=O)O	DMB	2-((3',5'-dimethyl-4'-hydroxyphenyl)azo)benzoic acid
+CCN(CC)c1ccc(c(c1)O)\C=C(/C)\C(=O)O	DMC	3-(4-diethylamino-2-hydroxy-phenyl)-2-methyl-propionic acid
+Cc1cc2c(cc1C)nc[nH]2	DMD	5,6-dimethylbenzimidazole
+C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C	DME	decamethonium ion
+CN(C)C=O	DMF	dimethylformamide
+CN(C)CC(=O)O	DMG	n,n-dimethylglycine
+CN(C)C(=O)C[C@@H](C(=O)O)N	DMH	n4,n4-dimethyl-asparagine
+Cc1[nH+]ccn1C	DMI	2,3-dimethylimidazolium ion
+C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O	DMJ	1-deoxymannojirimycin
+CC(C)([C@@H](C(=O)O)N)C(=O)O	DMK	3,3-dimethyl aspartic acid
+[CH3].[CH3]	DML	terminal dimethyl
+C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)[N@]6CCO[C@@H](C6)OC)O	DMM	3'-desamino-3'-(2-methoxy-4-morpholinyl)-doxorubicin
+CNC	DMN	dimethylamine
+C(CC(C(F)F)(C(=O)O)N)CN	DMO	alpha-difluoromethylornithine
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O	DMP	[4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-[1,3-bis([4-hydroxymethyl-phenyl]methyl)-4,7-bis(phen ylmethyl)]-2h-1,3-diazepinone
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)N)Cc4cccc(c4)N)Cc5ccccc5)O)O	DMQ	[4-r-(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis([(3-amino)phenyl]methyl)-4,7-bis(phenylmethyl)-2h-1,3-diazepinone
+C([C@H](C(=O)O)O)C(=O)O	DMR	2-hydroxy-succinic acid
+CS(=O)C	DMS	dimethyl sulfoxide
+C\C=C\CC(C)(C)[C@H]([C@@H](C(=O)O)NC)O	DMT	3-hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid
+CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	DMU	decyl-beta-d-maltopyranoside
+CC[C@](C)([C@H](C(=O)O)O)O	DMV	2,3-dihydroxy-valerianic acid
+CC1=C(C(=O)c2ccccc2C1=O)C	DMW	2,3-dimethyl-1,4-naphthoquinone
+C[N+](C)(CCCS(=O)(=O)[O-])Cc1ccccc1	DMX	3-[benzyl(dimethyl)ammonio]propane-1-sulfonate
+Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=N)N)NC=O	DMY	distamycin a
+Cc1ccc(cc1)S(=O)(=O)[N@](C)c2ccnn2c3ccccc3	DMZ	4-methyl-n-methyl-n-(2-phenyl-2h-pyrazol-3-yl)benzenesulfonamide
+C1CO[C@@H]([C@H]1O)COP(=O)(O)O	DN	unknown 2'-deoxynucleotide
+c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCOCC4	DN0	2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{n}-(phenylmethyl)ethanamide
+CC(C)CC(C(=O)N[C@H](CC(F)F)[C@H](C(=O)O)O)NC(=O)[C@]1(Cc2ccccc2N1)Cc3ccsc3C(=O)O	DN1	3-({(2s)-2-[({(1r)-1-[({(1r)-1-[(r)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carb onyl]-2,3-dihydro-1h-indol-2-yl}methyl)thiophene-2-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](CC(F)F)[C@H](C(=O)O)O)NC(=O)[C@]1(Cc2ccccc2N1)Cc3ccsc3C(=O)O	DN2	3-({(2s)-2-[({(1s)-1-[({(1s)-1-[(r)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carbonyl]-2,3-dihydro-1h-indol-2-yl}methyl)thiophene-2-carboxylic acid
+CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3	DN3	3-[(dimethylamino)methyl]-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)O	DN4	[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
+CC(C)[C@@H](c1ccc(c(c1)Cl)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3	DN5	(2~{s})-2-(3,4-dichlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3	DN6	n-[3-(1h-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
+c1ccnc(c1)Oc2ccc(cc2)C(=O)O	DN7	4-[(pyridin-2-yl)oxy]benzoic acid
+c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3	DN8	3-bromo-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCNC(=O)C[C@](CC(=O)O)(C(=O)O)O)O	DN9	(2~{s})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
+c1ccc2c(c1)c(cc(c2O)C(=O)O)O	DNA	1,4-dihydroxy-2-naphthoic acid
+c1cc(c(cc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N)N	DNB	(2s,3s,4r,5r)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
+c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-]	DNC	3,5-dinitrocatechol
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O	DND	nicotinic acid adenine dinucleotide
+CCCC[C@H](C(=O)O)N	DNE	d-norleucine
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O	DNF	2,4-dinitrophenol
+CCCC[C@H](C(=O)O)NC=O	DNG	n-formyl-d-norleucine
+C1CC[C@H]([C@@H](C1)N)N	DNH	1r,2r-diaminocyclohexane
+C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O	DNJ	1-deoxy-nojirimycin
+CC(C)[C@@H](c1ccccc1)C(=O)N2CCC3(CC2)Oc4ccccc4O3	DNK	(2~{s})-3-methyl-2-phenyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+C(CCC=O)CCN	DNL	6-amino-hexanal
+CCCC[C@H](C(=O)O)NC	DNM	n-methyl-d-norleucine
+C[C@@H]([C@@H](CCCCCC(=O)O)N)N	DNN	7,8-diamino-nonanoic acid
+C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O	DNO	d-mannose
+C([C@@H](C(=O)O)N)[NH3+]	DNP	3-amino-alanine
+C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-]	DNQ	6,7-dinitroquinoxaline-2,3-dione
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=[NH+]C2=O)N)COP(=O)(O)O)O	DNR	2'-deoxy-n3-protonated cytidine-5'-monophosphate
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@@H](C(=O)O)N	DNS	n~6~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-l-lysine
+CCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]	DNT	2-[1-methylhexyl]-4,6-dinitrophenol
+Cn1ccnc1CCO[C@@H](c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O	DNV	2-{(s)-(2-chlorophenyl)[2-(1-methyl-1h-imidazol-2-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NC[C@@H](C(=O)O)N	DNW	3-[(2,4-dinitrophenyl)amino]-l-alanine
+c1cc(c(cc1O)[N+](=O)[O-])[N+](=O)[O-]	DNX	3,4-dinitrophenol
+c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCCN4CCCCC4)Cl	DNY	2-{(s)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+C[C@@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)N	DNZ	(2~{r},3~{s})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+c1ccc(c(c1)[C@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl	DO1	2-{(r)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+C(CC(C=O)(O)O)[C@@H](C(=O)O)N	DO2	5,5-dihydroxy-6-oxo-l-norleucine
+C[C@H](CN1CC[N@](CCN(CC[N@](CC1)CC(=O)O)CC(=O)O)CC(=O)O)O	DO3	10-((2r)-2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane 1,4,7-triacetic acid
+C(CC(=O)C(=O)O)C=O	DO4	2,5-dioxopentanoic acid
+C[C@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)O	DO5	(2~{r},3~{r})-2-(4-chlorophenyl)-3-oxidanyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+Cc1c(c2ccc(c(c2o1)O)OC)C(=O)c3cc(c(c(c3)OC)OC)OC	DO6	(6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O	DO7	[(2s,3s,4s,5r,6s)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
+C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](COP(=O)(O)O)O)O)O	DO8	3-deoxy-8-o-phosphono-alpha-d-manno-oct-2-ulopyranosonic acid
+c1cc(ccc1C#N)NC(=S)NCc2cnc3n2c(cs3)C#CC4CC4	DO9	1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea
+C(CCCCCC(=O)O)CCCCCN	DOA	12-amino-dodecanoic acid
+c1cc(c(cc1O)O)C(=O)O	DOB	2,4-dihydroxybenzoic acid
+C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=NC2=O)N	DOC	2',3'-dideoxycytidine-5'-monophosphate
+[2H]O[2H]	DOD	deuterated water
+c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)CSCCO	DOE	(s)-2-(4-(2-(2-hydroxyethylthio)-acetamido)-benzyl)-1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate
+c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)[N+](=O)[O-]	DOF	(s)-2-(4-nitrobenzyl)-1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O	DOG	digoxigenin
+[C@H]([C@@H](C(=O)O)O)(C(=O)O)N	DOH	beta-hydroxy aspartic acid
+c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	DOI	9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-(phosphonooxy)-9h-purine
+C[C@@H](O)O[C@H]1CN(CC[C@@H]1NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3ccccc3	DOJ	n-{(3s,4s)-1-benzyl-3-[(1s)-1-hydroxyethoxy]piperidin-4-yl}-n'-[3-(trifluoromethyl)phenyl]urea
+CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3	DOK	(2~{s})-2-(4-chlorophenyl)-3-methyl-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
+CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](\C=C\C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc3nc(co3)C2=O)O)/C)C)C(C)C	DOL	5-(2-diethylamino-ethanesulfonyl)-21-hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triaza-tricyclo[23.2.1.00,255]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetraone
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	DOM	2'-deoxymaltose
+C(CC(=O)CN=N)[C@@H](C(=O)O)N	DON	6-diazenyl-5-oxo-l-norleucine
+Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@H]6CCN[C@H]6C5	DOO	6-fluoro-4-[(3ar,6ar)-hexahydropyrrolo[3,4-b]pyrrol-5(1h)-yl]-n-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9h-pyrimido[4,5-b]indol-8-amine
+CCCCCCCCOP(=O)(O)OCCCCCCCC	DOP	dioctylphosphate
+C[C@H](\C=C\C=C(\C)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O	DOQ	(2s,3s,4s)-2-carboxy-4-[(1z,3e,5r)-5-carboxy-1-methyl-1,3-hexadienyl]-3-pyrrolidineacetic acid
+C1[C@H](NC(=O)NC1=O)C(=O)O	DOR	(4s)-2,6-dioxohexahydropyrimidine-4-carboxylic acid
+c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=CC=CC=C6C7=CC=CC=[N]37	DOS	delta-bis(2,2'-bipyridine)imidazole osmium (ii)
+c1ccc(c(c1)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N)N	DOT	3'anthraniloyl-2'-deoxy-adenosine-5'-triphosphate
+CN1CCN(CC1)[C@@H]2CC[C@@H]3[C@@H](C2)N[C@@H](N3)[C@@H]4[C@H]([C@H]5[C@@H](CCC[C@@H]5F)NC4=O)N	DOV	1-amino-5-fluoro-3-(6-(4-methylpiperazin-1-yl)-1h-benzo[d]imidazol-2-yl)quinolin-2(1h)-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O	DOW	(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-glucopyranoside
+C1COCCO1	DOX	dioxane
+c1ccc(cc1)[C@@H]2CC(=O)N(c3ccccc3S2)CC(=O)O	DOY	[(2s)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2h)-yl]acetic acid
+CN(C)[Zn]O	DOZ	(dimethylamino)(hydroxy)zinc'
+C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=NC3=O)N)COP(=O)(O)O)O	DP	[(2~{r},3~{s},5~{r})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CC(C)N(CC[C@](c1ccccc1)(c2ccccn2)C(=O)N)C(C)C	DP0	disopyramide
+C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-]	DP1	l-n(omega)-nitroarginine-2,4-l-diaminobutyric amide
+C(CCN)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N	DP2	l-lysyl-n~5~-[(z)-(2,2-dihydroxyhydrazino)(imino)methyl]-l-ornithinamide
+C(C[C@@H](CNCCN)N)CNC(=N)N[N+](=O)[O-]	DP3	n-{(4s)-4-amino-5-[(2-aminoethyl)amino]pentyl}-n'-nitroguanidine
+C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-]	DP4	(1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)S[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)S)CO)CO)O)O)S)O	DP5	1,4-dimercapto-alpha-d-glucopyranosyl-(1-4)-s-1,4-dimercapto-beta-d-glucopyranosyl-(1-4)-s-1,4-dimercapto-beta-d-glucop  yranose
+C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O	DP6	(3r)-3-hydroxy-5-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid
+[H]/N=C(/N)\NCCC[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C	DP7	ac-(d)phe-pro-boroarg-oh
+CN(C)CCOc1ccc(cc1)Oc2ccccc2	DP8	n,n-dimethyl-2-(4-phenoxyphenoxy)ethanamine
+C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N	DP9	l-n(omega)-nitroarginine-(4r)-amino-l-proline amide
+COc1cc(c(cc1OC)NC(=O)C(=C)OC)C=O	DPA	4,5-dimethoxy-n-(2'-methoxypropenoyl anthranilate)
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]3[C@@H](O2)CO[C@](O3)(c4ccccc4)P(=O)(O)O	DPB	(s)-1-[2'-deoxy-3',5'-o-(1-phosphono)benzylidene-b-d-threo-pentofuranosyl]thymine
+CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N)NC(=O)C	DPC	5-acetylamino-4-amino-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4h-pyran-2-carboxylic acid
+CCCCOc1ccc(cc1OCCCC)[C@@H](C)NCCCNCCC(c2ccccc2)c3ccccc3	DPD	n-(3,3,-diphenylpropyl)-n'-[1-r-(2 3,4-bis-butoxyphenyl)-ethyl]-propylenediamine
+CCCCCCCCCCC[P@@H](=O)OC	DPE	n-undecanylphosphonate methyl ester group
+CCOP(=O)(O)OCC	DPF	diethyl hydrogen phosphate
+CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](COP(=O)(O)O)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C	DPG	phosphoric acid 2,3-bis-(3,7,11,15-tetramethyl-hexadecyloxy)-propyl ester 2-hydroxo-3-phosphonooxy-propyl ester
+C[C@@H](Cc1ccccc1)C(=O)O	DPH	deamino-methyl-phenylalanine
+CCOP(=S)(O)OCC	DPJ	o,o-diethyl hydrogen thiophosphate
+C[C@H](Cc1ccccc1)N(C)CC=C	DPK	deprenyl
+C1[C@H](NCC1=O)C(=O)O	DPL	4-oxoproline
+Cc1c(c(c([nH]1)Cc2c(c(c[nH]2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	DPM	3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic acid
+c1ccc(cc1)C[C@H](C(=O)O)N	DPN	d-phenylalanine
+[O-]P(=O)([O-])OP(=O)([O-])[O-]	DPO	diphosphate
+C([C@@H](C(=O)O)N)N	DPP	diaminopropanoic acid
+C1C=C(C(=O)C=C1C[C@@H](C(=O)O)N)O	DPQ	(s)-2-amino-3-(4-hydroxy-3-oxocyclohexa-1,4-dienyl)propanoic acid
+C1C[C@@H](NC1)C(=O)O	DPR	d-proline
+c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O	DPS	3-(1h-indol-3-yl)-2-[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-propionic acid
+Cc1ccnc2c1ccc3c2nccc3C	DPT	4,7-dimethyl-[1,10]phenanthroline
+C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)OP(=O)(O)O)N	DPU	mixed carbamic phosphoric acid anhydride of 7,8-diaminononanic acid
+CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C	DPV	dodecyl 2-(trimethylammonio)ethyl phosphate
+CCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C	DPW	decyl 2-trimethylazaniumylethyl phosphate
+Cc1ncc(c(n1)N)CN/C(=C(/[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O)\S)/C	DPX	mono-{4-[(4-amino-2-methyl-pyrimidin-5-ylmethyl)-amino]-2-hydroxy-3-mercapto-pent-3-enyl-phosphono} ester
+c1cc(nc(c1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C(=O)O)C(=O)O	DPY	2-deoxyribofuranosyl-pyridine-2,6-dicarboxylic acid-5'-monophosphate
+c1c(cc(c2c1C(=O)NNC2=O)N)N	DPZ	3,5-diaminophthalhydrazide
+c1cc(cc(c1)Cl)c2c(nc(nc2N)N)COc3cccc(c3)OCCCC(=O)O	DQ0	4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid
+CCOC(=O)CCCOc1cc(ccc1OC)NCc2ccc3c(c2)c(nc(n3)N)N	DQ1	ethyl 4-(5-{[(2,4-diaminoquinazolin-6-yl)methyl]amino}-2-methoxyphenoxy)butanoate
+c1nc(c2c(n1)n(c(n2)SCCC(=O)NCCN)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	DQ2	[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[3-(2-azanylethylamino)-3-oxidanylidene-propyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium
+c1ccc(cc1)OCCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl	DQ3	5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N/O)O	DQ5	2-[(~{e})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol
+Cc1cccc(c1)C(CC[C@@H](C(=O)O)N)(c2ccccc2)c3ccccc3	DQ6	(2s)-2-amino-5-(3-methylphenyl)-5,5-diphenylpropanoic acid
+Cc1cccc(c1)C(CC[C@H](C(=O)O)N)(c2ccccc2)c3ccccc3	DQ7	(2r)-2-amino-5-(3-methylphenyl)-5,5-diphenylpropanoic acid
+CC(=O)c1cccc(c1)C(c2ccccc2)(c3ccccc3)SCCN	DQ8	1-(3-{[(2-aminoethyl)sulfanyl](diphenyl)methyl}phenyl)ethanone
+c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCC(=O)O	DQ9	2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid
+C1[C@H]([C@@H](C(=O)C[C@]1(C(=O)O)O)O)O	DQA	1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid
+c1cc(ccc1C(=O)NCCCC(=O)O)NCc2ccc3c(c2)C(=O)NC(=N3)N	DQB	4-[(4-{[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)methyl]amino}benzoyl)amino]butanoic acid
+CCCN1CCC(CC1)N(Cc2ccc3c(c2)OCO3)C(=O)Nc4cccc(c4)C(F)(F)F	DQD	n-[(2h-1,3-benzodioxol-5-yl)methyl]-n-(1-propylpiperidin-4-yl)-n'-[3-(trifluoromethyl)phenyl]urea
+c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCCCC(=O)O	DQF	4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid
+c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl	DQG	2-{(s)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrrolo[3,2-b]pyridine-7-carboxylic acid
+c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O	DQH	(2r,3r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4h-chromen-4-one
+CC(C)c1cc(n[nH]1)C(=O)N2CC[C@@H](C2)NC(=O)C3CC3	DQJ	n-{(3s)-1-[5-(propan-2-yl)-1h-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
+c1ccc2cc(ccc2c1)S[C@@H](CC(=O)NCCCC[C@@H](C=O)N)C(=O)O	DQK	(2~{s})-4-[[(5~{s})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid
+c1c(cc2c(c1O)nc(s2)N)S	DQL	2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol
+C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N	DQM	(2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{s},5~{s})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CC1=C(C(=O)C(=C(C1=O)C)C)C	DQN	duroquinone
+c1cc(c(c(c1)Cl)N2c3cc(cc(c3CNC2=O)c4ccc(cc4F)F)N5CCNCC5)Cl	DQO	1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperazin-1-yl-3,4-dihydroquinazolin-2(1h)-one
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2Br)Br)Br)Br)Br	DQP	{5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid
+C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O	DQQ	2,5-dideoxy-2,5-imino-d-mannitol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O	DQR	beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl alpha-d-glucopyranoside
+CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C(C)(C)C	DQS	5-(1-tert-butyl-1h-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
+Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)c3ccc(cc3)C)OC)CO)O	DQT	methyl 3-deoxy-2-o-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-d-talopyranoside
+c1cc2c(cc1N)c(nc(n2)N)O	DQU	2,6-diamino-3h-quinazolin-4-one
+c1cc(cc(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	DQV	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5s)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+C[C@@H](COC[C@H](C)O)O	DQW	(2~{s})-1-[(2~{s})-2-oxidanylpropoxy]propan-2-ol
+c1cc(c2c(c1)ncc(n2)c3cnn(c3)C4CCNCC4)c5cc(c(c(c5)F)CN6CCOCC6)F	DQX	8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1h-pyrazol-4-yl)quinoxaline
+CS(C)CCC(=O)O	DQY	3-(dimethyl-lambda~4~-sulfanyl)propanoic acid
+c1cc(ccc1CCC(=O)O)Br	DQZ	3-(4-bromophenyl)propanoic acid
+CCCCCC[N+](C)(C)CO	DR0	n-(hydroxymethyl)-n,n-dimethylhexan-1-aminium
+Cn1c2ccccc2cc-3nc4ccccc4c13	DR1	5-methyl-5h-indolo[3,2-b]quinoline
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)O)O)O)O)O	DR2	6-deoxy-alpha-l-idopyranosyl-(1->2)-alpha-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-l-gulopyranose
+CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3O)CO)O)NC(=O)C)CO)O)O)O)O)O	DR3	6-deoxy-alpha-l-galactopyranosyl-(1->2)-beta-d-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+COC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	DR4	methyl 9-(beta-d-talopyranosyloxy)nonanoate
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O	DR5	methyl 4-o-l-glucopyranosyl-alpha-l-ribo-hexopyranoside
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	DR6	alpha-[4-(1,1,3,3 - tetramethylbutyl)phenyl]-omega-hydroxy-poly(oxy-1,2-ethanediyl)
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC	DR7	(3s,8s,9s,12s)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5, 6,10,13-pentaazatetradecanedioic acid dimethyl ester
+CC#CC#CC#C[N+](C)(C)C	DR8	n,n,n-trimethylhepta-1,3,5-triyn-1-aminium
+CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC\C=C/CCCCCC	DR9	1-cis-9-octadecanoyl-2-cis-9-hexadecanoyl phosphatidyl glycerol
+CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@H](O7)C)O)N(C)C)O	DRA	11-deoxy-beta-rhodomycin
+CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3	DRB	delta-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c9-adamantane ruthenium (ii)
+c1ccc2c(c1)c(c3cccc(c3n2)C(=O)NCCN4CCOCC4)N	DRC	9-amino-n-[2-(4-morpholinyl)ethyl]-4-acridinecarboxamide
+CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3cccc4OC(C)(C)C(=O)O)C(=O)c5ccccc5	DRD	2-[(1-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1h-indol-4-yl)oxy]-2-methylpropanoic acid
+C(CCCNCCCCCCN)CCN	DRE	n-(6-aminohexyl)hexane-1,6-diamine
+CCO[C@@H](Cc1ccc(cc1)OCCN2c3ccccc3Oc4c2cccc4)C(=O)O	DRF	(2s)-2-ethoxy-3-{4-[2-(10h-phenoxazin-10-yl)ethoxy]phenyl}propanoic acid
+c1ccc-2c(c1)CCc3c2nnc(c3)N	DRG	5,6-dihydro-benzo[h]cinnolin-3-ylamine
+CCCCCCC[N@@](CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)c2nc3ccccc3o2	DRH	(2s)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)OC	DRI	2,6-dideoxy-4-o-methyl-beta-d-glucopyranose
+CCCCCCCN(CCc1ccc(cc1)O[C@](C)(CC)C(=O)O)c2nc3ccccc3o2	DRJ	(2r)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acid
+c1ccc2c(c1)c(c([nH]2)C3=C4C=CC=CC4=NC3=O)NOCC[C@@H](CO)O	DRK	3-({[(3s)-3,4-dihydroxybutyl]oxy}amino)-1h,2'h-2,3'-biindol-2'-one
+CC1=NC2=C(CSCC2)C(=O)N1	DRL	2-methyl-3,5,7,8-tetrahydro-4h-thiopyrano[4,3-d]pyrimidin-4-one
+C1C[C@H]([C@@H](C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O	DRM	{[(1r,2s)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}methylphosphonic acid
+[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C	DRN	bisindolylmaleimide ix
+Cc1c(c(nn1c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C(=O)N(c5ccccc5)c6ccccc6)Cl	DRO	1-(2-{[(3s)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}phenyl)-4-chloro-5-methyl-n,n-diphenyl-1h-pyrazole-3-carboxamide
+c1cc(cnc1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	DRP	2-deoxyribofuranosyl-pyridine-5'-monophosphate
+CC/C=C\c1cc2c(cc1O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C	DRQ	(9alpha,13beta,17beta)-2-[(1z)-but-1-en-1-yl]estra-1,3,5(10)-triene-3,17-diol
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC(=O)[C@@H]3Cc4ccc(cc4)OCCCCC(=O)N[C@H](C(=O)N3)C(C)C	DRR	(9s,12s)-9-(1-methylethyl)-n-[(8s,11s)-8-[(1s)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxamide
+CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc(cc2)OCCCCC(=O)N1)C(=O)O	DRS	(9s,12s)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O	DRT	2'-deoxy-l-ribo-furanosyl thymine-5'-monophosphate
+c1cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=CC=CC=C6C7=CC=CC=[N]37	DRU	delta-bis(2,2'-bipyridine)imidazole ruthenium (ii)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N	DRV	[(2s,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (aminoacetyl)sulfamate
+C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N	DRW	(2s,3r,4s)-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3s,5s)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+c1ccc2cc(ccc2c1)NC(=O)[C@H](c3csc4c3cc(cc4)Cl)P(=O)(O)O	DRX	[(1s)-1-(5-chloro-1-benzothien-3-yl)-2-(2-naphthylamino)-2-oxoethyl]phosphonic acid
+CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3ccc(c4)OCC(=O)O)C(=O)c5ccccc5	DRY	[(1-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1h-indol-5-yl)oxy]acetic acid
+C(C=O)[C@@H]([C@@H](COP(=O)(O)O)O)O	DRZ	3',4'-dihydroxy-pentanal-5'-phosphate
+C1[C@H](C(=NO1)OP(=O)(O)O)N	DS0	[(4r)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate
+c1c(cnc(n1)N)O	DS1	2-aminopyrimidin-5-ol
+CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)O	DS2	{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetic acid
+CCC(CC)(c1ccc(c(c1)C)OCCCCC(=O)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O	DS3	5-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}pentanoic acid
+CCC(CC)(c1ccc(c(c1)C)/C=C/C(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)c3ccc(c(c3)F)CC(=O)O	DS4	[3-fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)biphenyl-4-yl]acetic acid
+CCC(CC)(c1ccc(c(c1)C)C#CC(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O	DS5	(4s)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-yn-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid
+CCC(CC)(c1ccc(c(c1)C)CC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O	DS6	(4s)-4-hydroxy-5-[4-(3-{4-[(3s)-3-hydroxy-4,4-dimethylpentyl]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]pentanoic acid
+Cc1cc(c(n1C)C)C(=O)O	DS7	1,2,5-trimethyl-1h-pyrrole-3-carboxylic acid
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O	DS8	(2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{s},4~{r},6~{r})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
+C[C@]12CCCN1CC3=NNC(=O)c4cc(cc5c4c3c2[nH]5)F	DS9	(2r)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one
+C[C@H]1CN(c2c1c3cc([nH]c3c(c2)O)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC	DSA	4-hydroxy-8-methyl-6-(4,5,6-trimethoxy-1h-indole-2-carbonyl)-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester
+C(CC(=O)CCC(=O)O)C(=O)CCC(=O)O	DSB	4,7-dioxosebacic acid
+CCCCCCCCCCCCS(=O)(=O)[O-]	DSC	dodecanesulfonate ion
+C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N	DSD	7-(carboxyamino)-8-amino-nonanoic acid
+CN[C@H](CO)C(=O)O	DSE	n-methyl-d-serine
+[C@H](C(F)(F)F)(OC(F)F)F	DSF	(2s)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane
+C([C@H](C(=O)O)N)C(=O)N	DSG	d-asparagine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCN)O)O)N	DSH	5'-s-(3-aminopropyl)-5'-thioadenosine
+C[C@@H]1CN(c2c1c3cc([nH]c3c(c2)O)C(=O)OC)C(=O)c4cc5ccccc5[nH]4	DSI	4-hydroxy-6-(1h-indole-2-carbonyl)-8-methyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester
+CC(=O)c1ccc(cc1O)N	DSJ	1-(4-amino-2-hydroxyphenyl)ethan-1-one
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O)CO)O)O	DSK	(2r,3s,4s)-1-[(2s,3s,4r,5r,6s)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name)
+CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C	DSL	mono-trans, octa-cis decaprenyl-phosphate
+CNCCCN1c2ccccc2CCc3c1cccc3	DSM	3-(10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)-n-methylpropan-1-amine
+C([C@H](C(=O)O)N)O	DSN	d-serine
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4	DSO	adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide
+C([C@H](C(=O)O)N)C(=O)O	DSP	d-aspartic acid
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O	DSQ	(2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{r},3~{s},4~{r},6~{r})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)S	DSR	2,6-dideoxy-4-thio-beta-d-allopyranose
+CSC[S@@](=O)C	DSS	methyl methylsulfinylmethyl sulfide
+CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C	DST	dimethylallyl s-thiolodiphosphate
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)OC)O)O)O)O)O	DSU	((2r,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-5-((2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxy-tetrahydro-2h-pyran-2-yloxy)-tetrahydrofuran-2-yl)methyl nonanoate
+CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1	DSV	n-(dibenzo[b,d]thiophen-3-ylsulfonyl)-l-valine
+CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC	DSX	batimastat
+CN(C)c1cccc2c1ccc(c2)S(=O)(=O)O	DSY	5-(dimethylamino)-2-naphthalenesulfonic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)N	DSZ	5'-o-(l-alpha-aspartylsulfamoyl)adenosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	DT	thymidine-5'-monophosphate
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CCCNC1=O)CCCCN)CCCCN	DT0	1-[(10~{r},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine
+c1cc(ccc1Nc2cc(nc3n2ncn3)OCC4CCCCC4)S(=O)(=O)N	DT1	4-{[5-(cyclohexylmethoxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide
+c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCCCC4)S(=O)(=O)N	DT2	4-{[5-(cyclohexylamino)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide
+C([C@H]([C@@H](CS(=O)(=O)[O-])O)O)S	DT3	(2s,3s)-2,3-dihydroxy-4-sulfanylbutane-1-sulfonate
+c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCC(CC4)N)S(=O)(=O)N	DT4	4-({5-[(4-aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzenesulfonamide
+c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N	DT5	4-{[5-(cyclohexyloxy)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzenesulfonamide
+CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)NC(=O)C)O)CO	DT6	2,4-bisacetamido-2,4-dideoxy-beta-d-glucopyranose
+COc1cc2c(cc1OC)C[N@@](CC2)S(=O)(=O)N	DT7	6,7-dimethoxy-3,4-dihydroisoquinoline-2(1h)-sulfonamide
+C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C(=O)N(C)C)C1	DT8	n-((1r,2s,5s)-2-(5-chloro-1h-indole-2-carboxamido)-5-(dimethylcarbamoyl)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide
+C[C@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC	DT9	(1s)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1h)-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSSC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N	DTA	(2s,3s,4r,5r,2's,3's,4'r,5'r)-2,2'-[dithiobis(methylene)]bis[5-(6-amino-9h-purin-9-yl)tetrahydrofuran-3,4-diol]
+C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O	DTB	6-(5-methyl-2-oxo-imidazolidin-4-yl)-hexanoic acid
+c1ccc2c(c1)C(=O)C(C(=O)O2)CC3C(=O)c4ccccc4OC3=O	DTC	bishydroxy[2h-1-benzopyran-2-one,1,2-benzopyrone]
+C1[C@@H]([C@H](CSS1)O)O	DTD	dithiane diol
+c1cc2c(c[nH]c2c(c1)Cl)C[C@H](C(=O)O)N	DTE	7-cl-d-tryptophan
+c1ccc2c(c1)cccc2C[C@@H]3C\C=C\[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H](C(=O)NC3)CC(=O)N)c5ccc(cc5)CP(=O)(O)O	DTF	4-[(10s,14s,18s)-18-(2-amino-2-oxoethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]benzylphosphonic acid
+CC(C)(C)CC(=O)O	DTG	des-amino t-butyl glycine
+C[C@@H]([C@H](C(=O)O)N)O	DTH	d-threonine
+Cc1csc[n+]1C	DTI	3,4-dimethylthiazolium ion
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2CO)C3=NN(C(=O)C(=C3)Nc4ccc(cn4)C(=O)N5CCOCC5)C	DTJ	4-tert-butyl-n-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O	DTK	(2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{r},3~{s},4~{r},6~{s})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol
+C([C@@H]([C@H](CO)O)O)O	DTL	l-treitol
+CN(Cc1cc(c(c(c1)OC)OC)OC)c2cc3c(nc(nc3nc2)N)N	DTM	2,4-diamino-6-[n-(3',4',5'-trimethoxybenzyl)-n-methylamino]pyrido[2,3-d]pyrimidine
+[O-]S(=O)S(=O)[O-]	DTN	dithionite
+C([C@H]([C@@H](CSO)O)O)S	DTO	1-hydroxysulfanyl-4-mercapto-butane-2,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N	DTP	2'-deoxyadenosine 5'-triphosphate
+COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O	DTQ	4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N	DTR	d-tryptophan
+c1ccc(cc1)S(=O)Cc2ccccc2C(=O)O	DTS	2-{[(s)-phenylsulfinyl]methyl}benzoic acid
+C([C@@H]([C@H](CS)O)O)S	DTT	2,3-dihydroxy-1,4-dithiobutane
+C([C@H]([C@H](CS)O)O)S	DTU	(2r,3s)-1,4-dimercaptobutane-2,3-diol
+C([C@H]([C@@H](CS)O)O)S	DTV	(2s,3s)-1,4-dimercaptobutane-2,3-diol
+c1nc(c2c(n1)n(c(n2)SCCCC(=O)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	DTW	[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O	DTX	digitoxigenin
+c1cc(ccc1C[C@H](C(=O)O)N)O	DTY	d-tyrosine
+S[Zn]S	DTZ	zinc(ii)hydrogensulfide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	DU	2'-deoxyuridine-5'-monophosphate
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO)CO)C)C)C)OC1	DU0	2-[2-[(1~{s},2~{s},4~{s},5'~{r},6~{r},7~{s},8~{r},9~{s},12~{s},13~{r},16~{s})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol
+CCCN1C(=O)c2c(nc([nH]2)C3CCCCC3)N(C1=O)CCCNC(=O)c4ccc(cc4)S(=O)(=O)F	DU1	4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3h-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride
+Cn1ccnc1C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O	DU2	2',5'-dideoxy-5'-{[(r)-(1-methyl-1h-imidazol-2-yl)(phenyl)methyl]amino}uridine
+c1ccc(cc1)C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O	DU3	2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine
+C[N@](C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)C(c3ccccc3)c4ccccc4	DU4	2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine
+c1ccc(cc1)C(=O)NCCCN2CCN(CC2)c3c4ccccc4ccn3	DU5	~{n}-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide
+c1cc(ccc1C#N)NC(=O)NCc2cnc3n2c(cs3)C#CC4CC4	DU6	1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea
+Cc1cc(nc(n1)N)Cl	DU7	4-chloro-6-methylpyrimidin-2-amine
+c1nc(c2c(n1)n(c(n2)SCCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N	DU8	3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid
+C[C@@H]1CN(C[C@@H](O1)C)c2cc3c(c(c2)F)C4(CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5)C(=O)N3C	DU9	6-[(2s,6r)-2,6-dimethylmorpholin-4-yl]-4-fluoranyl-1-methyl-1'-(8-methyl-4-oxidanylidene-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)O	DUA	2',5'-dideoxy-5'-(tritylamino)uridine
+c1cc(c(c(c1)Cl)O)Cl	DUB	2,6-dichlorophenol
+C1CNC(=O)NC1=O	DUC	dihydropyrimidine-2,4(1h,3h)-dione
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O	DUD	deoxyuridine-5'-diphosphate
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cc(cc3c2occ3)c4ccc(cc4)CN	DUE	(2~{s})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid
+c1cc(c(cc1OCC=O)Cl)F	DUG	(3-chloro-4-fluorophenoxy)acetaldehyde
+c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c4ccccn4nc3O)F)F	DUH	2-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
+C[C@H](C(=O)N)SC1=Nc2c(cnn2c3cccc(c3)Cl)C(=O)N1	DUK	(2r)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide
+CCSc1cccc(c1)c2ccc(s2)C(=O)N	DUL	5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide
+*	DUM	dummy atoms
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(NP(=O)(O)O)O)O	DUN	2'-deoxyuridine 5'-alpha,beta-imido-diphosphate
+C[C@@H]1CN(c2c1c3c(c(c2)O)N[C@@](C3=O)(C)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC	DUO	4-hydroxy-2,8-dimethyl-1-oxo-6-(4,5,6-trimethoxy-1h-indole-2-carbonyl)-1,2,3,6,7,8-hexahydro-3,6-diaza-as-indacene-2-carboxylic acid methyl ester
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O	DUP	2'-deoxyuridine 5'-alpha,beta-imido-triphosphate
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC[C@@H](CN4C=CC(=O)NC4=O)C(=O)NCCO	DUQ	(2s)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-n-(2-hydroxyethyl)-4-trityloxy-butanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O	DUR	2'-deoxyuridine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COS(=O)(=O)O)O	DUS	2'-deoxy-5'-o-sulfouridine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O	DUT	deoxyuridine-5'-triphosphate
+[H]/N=C(\N)/N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(cc2)CNC(=O)CCCNC1=O)CCCCN)CCCCN	DUU	1-[(10~{r},17~{s},20~{s})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine
+C#CCCC[C@H](C=O)C(=O)O	DUV	(2r)-2-methanoylhept-6-ynoic acid
+c1ccc(cc1)C[C@H](C=O)C(=O)O	DUW	(2r)-2-methanoyl-3-phenyl-propanoic acid
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)F	DUX	2,3-deoxy-3-fluoro-5-o-trityluridine
+CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](C4CCCC4)C(=O)O	DUY	(2s)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-l-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid
+c1ccc(cc1)CNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	DUZ	5-(benzylcarbamoyl)-2'-deoxyuridine 5'-(dihydrogen phosphate)
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)[C@H](NC1=O)C)CCCCN)CCCCN	DV0	1-[(5~{r},8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
+C=CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	DV1	(3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d][1,3]thiazole-6,7-diol
+Cc1c(scn1)c2ccc(cc2)CNC(=S)[C@@H]3C[C@H](CN3C(=O)[C@H](C)NC(=O)C)O	DV2	~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide
+C1CO[C@@H]([C@H]1O)COP(=O)(O)S	DV3	1,4-anhydro-2-deoxy-5-o-thiophosphono-d-erythro-pentitol
+CC(=O)Nc1cc(n(c1)C)C(=O)Nc2cn(c(n2)C(=O)NCCCC(=O)Nc3ccn(c3)C)C	DV4	4-{[4-(acetylamino)-1-methyl-1h-pyrrole-2-carbonyl]amino}-1-methyl-n-{4-[(1-methyl-1h-pyrrol-3-yl)amino]-4-oxobutyl}-1h-imidazole-2-carboxamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O	DV5	(2~{s},4~{r})-1-[(2~{s})-2-acetamidopropanethioyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+C[N+](C)(C)[C@@H](CC1=CN[C@@H](N1)SS)C(=O)O	DV6	[(2s)-3-[(2s)-2-(disulfanyl)-2,3-dihydro-1h-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium
+c1cc2c(cc1O)OC(=O)C=C2CC[C@@H](C(=O)O)N	DV7	l-(7-hydroxycoumarin-4-yl)ethylglycine
+Cc1c(scn1)c2ccc(cc2)CNC(=S)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O	DV8	~{n}-[(2~{s})-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamothioyl]-4-oxidanyl-pyrrolidin-1-yl]-1-sulfanylidene-propan-2-yl]ethanamide
+C(CC(=O)C(F)(F)P(=O)(O)O)[C@@H](C(=O)O)N	DV9	(2s)-2-azanyl-6,6-bis(fluoranyl)-5-oxidanylidene-6-phosphono-hexanoic acid
+CC(C)[C@H](C(=O)O)N	DVA	d-valine
+C[C@H]1C([C@@](C[C@@H](O1)O)(C)N)(O)O	DVC	(2r,4s,6s)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol
+CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CO)NC(=O)c5cc6ccccc6s5)C1	DVD	n-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide
+C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C)C	DVE	obtusifoliol
+C1[C@H]([O+]2[V](O[V]2(O1)(O)O)(O)O)CO	DVG	divanadate glycerol ester
+C=C[C@@H]1CC[C@@H]([C@H](C1)O)O	DVH	(1s,2s,4r)-4-ethenylcyclohexane-1,2-diol
+CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CCO)NC(=O)c5cc6ccccc6s5)C1	DVJ	n-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide
+C1CN(CCN1CCCCN)CCO	DVK	2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol
+Cc1cc(c(c(c1)c2nc3ccccc3s2)OCc4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)C=O	DVL	3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde
+CC(=O)N[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H](CC=C(O2)CN)N)O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N	DVM	acetylsisomicin
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)OP(=O)(O)O)N	DVN	[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5s)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N	DVP	methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)piperidine-4-carboxylate
+C1CN(CCN1CCO)CCO	DVQ	2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
+c1ccn2c(c1)cc(c2N/C(=C(\CS(=O)=O)/C=CC(=O)N)/C(=O)O)C=O	DVR	3-(4-carbamoyl-1-carboxy-2-methylsulfonyl-buta-1,3-dienylamino)-indolizine-2-carboxylic acid
+[O-][V-]1234O[V-]567(O1891[V-]%10(O2)(O5)([O+]2[V-]858(O3)O[V-]3%11%12([O+4]55%13%14[V-]22(O3)([O+]%10[V-]953([O+4]6)O[V-]%13(O%11)(O2)(O[V-]%142(O%12)([O+]8[V-]1([O+]32)(O4)(O7)[O-])[O-])[O-])[O-])[O-])[O-])[O-]	DVT	decavanadate
+CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45(CC5)[N]6=CN(C(=C6)c7cn(nn7)[C@@H]8[C@H]([C@H]([C@H]([C@H](O8)O)O)O)O)C)C	DVW	five-coordinate platinum(ii) compound
+[B-]1(n2c(ccc2CCC(=O)OC[C@H](c3nc(c(o3)Br)c4ccc(cc4)C(F)(F)F)Oc5ccc(c(c5F)C(=O)N)F)C=C6[N+]1=C(C=C6C)C)(F)F	DVX	[(2r)-2-[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]-2-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate
+c1nc(c2c(n1)n(c(n2)SCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	DVZ	[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-(2-hydroxy-2-oxoethylsulfanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium
+Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C	DW0	1,1'-propane-1,3-diylbis(3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione)
+C1=CC(C=C1)[Ru@]2(N3C=CC=C4C3=C5[N]2=C6C=CC(=CC6=C5C7=C4C(=O)NC7=O)O)C#O	DW1	ruthenium pyridocarbazole
+c1cc2c(cc1O)c3c4c(c5c6c3n2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7C8[CH]9=[CH]12)C#O)C(=O)NC4=O	DW2	ru-pyridocarbazole-2
+C(C=O)O	DW3	2-oxidanylethanal
+c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO	DW4	benzyl [(8s,11s,14s)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate
+CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45([C][C]5)C)C	DW5	five-coordinate platinum(ii) compound
+c1ccc(cc1)COC(=O)N[C@H]2Cc3cn(nn3)CCCNC(=O)CC[C@H](NC(=O)[C@@H](NC2=O)CC4CCCCC4)CO	DW7	benzyl [(9s,12s,15s)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate
+CCCNC(=O)CCOCCOCCOCCNC(=O)c1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O	DW8	[2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-(propylamino)propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid
+c1c(cc2c(c1O)nc(s2)N)SSc3cc(c4c(c3)sc(n4)N)O	DW9	2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol
+COc1ccc(cc1)[C@]2(COC(=N2)N)c3cccc(c3)c4cccnc4F	DWA	(4r)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
+COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cc(ccc5F)Cl	DWB	(4s)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine
+c1cc2c3c(c4c5cc(ccc5n6c4c2[n+](c1)[Os]67891(C2C7=C8C9=C12)C#[O+])O)C(=O)NC3=O	DWC	pyridocarbazole cyclopentadienyl os(co) complex
+CC(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5	DWD	(4s)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine
+c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCOCCOCCOCCC(=O)NCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O	DWE	[2-[2-oxidanylidene-2-[[3-[2-[2-[2-[3-oxidanylidene-3-[2-[3-[2-[2-[2-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]propoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid
+CS(=O)(=O)Cc1cccc(c1)Nc2nccc(n2)Oc3ccc(cc3F)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F	DWF	n-(3-fluoro-4-{[2-({3-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
+C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(CC(C1=O)C#N)c4ccccc4)Nc5ccccc5	DWG	(6as,7s,9s,10as)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile
+COC(=O)CNc1nc(nc(n1)Cl)Nc2ccc(cc2)S(=O)(=O)N	DWH	methyl n-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate
+C[C@H]1[C@@H]2CCc3cn(nc3[C@]2(C[C@H](C1=O)C#N)c4ccccc4)C(=O)c5ccccc5	DWJ	(5as,6s,8s,9as)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2h-benzo[g]indazole-8-carbonitrile
+c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCCOCCOCCOCCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O	DWK	[2-[2-oxidanylidene-2-[[3-[3-[2-[2-[3-[[4-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid
+C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5	DWM	(7r)-1-[(4-fluorophenyl)methyl]-n-{3-[(1r)-1-hydroxyethyl]phenyl}-7-methyl-5-(1h-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine-3-carboxamide
+C[C@@H]1C(=O)[C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N	DWN	(2r,4s,6r)-4-amino-6-methyl-5-oxotetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@@H](C1=O)C#N)C)Nc4ccccc4	DWP	(6as,7s,9r,10as)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile
+c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(=O)NCCOCCCCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O	DWQ	[2-[2-oxidanylidene-2-[[3-[2-[5-[3-oxidanylidene-3-[3-[2-[2-[3-[3-[2-[2-[2-[[3-[2-(2-phosphonophenoxy)ethanoylamino]phenyl]carbonylamino]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylamino]propoxy]pentoxy]ethylcarbamoyl]phenyl]amino]ethoxy]phenyl]phosphonic acid
+C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@H](C1=O)C#N)c4cccc(c4)C(=O)O)Nc5ccccc5	DWS	3-[(6as,7s,9s,10as)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5h)-yl]benzoic acid
+Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F	DWT	4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CN1CCN(CC1)C2=NC(=O)/C(=C/c3ccc(c(c3)Cl)Cl)/S2	DWV	(5z)-5-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5h)-one
+B(c1ccccc1CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O	DWW	[2-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid
+B(c1cccc(c1)CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O	DWX	[3-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid
+B(c1ccc(cc1)CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O	DWY	[4-({4-[(5z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}methyl)phenyl]boronic acid
+C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C	DWZ	(2s,3r,4s)-4-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=O)NC3=O)COP(=O)(O)O)O	DX	[(2~{r},3~{s},5~{r})-5-[2,4-bis(oxidanylidene)imidazo[1,2-a][1,3,5]triazin-8-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+C[C@]1(CCCC2(C1CCC34C2CCC(C3)(C(=C)C4)OC5[C@H](C(C([C@@H](O5)CO)O)O)O)C)C(=O)O	DX0	steviolmonoside
+CC(C)c1c(nc2c(n1)c(nc(n2)N)N)C(C)C	DX1	6,7-bis(1-methylethyl)pteridine-2,4-diamine
+c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N	DX2	6-phenylpteridine-2,4,7-triamine
+CC1=Nc2c(nc(nc2NC1(C)C)N)N	DX3	6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine
+c1[nH]c2c(n1)C(=S)NC(=N2)N	DX4	2-amino-1,9-dihydro-6h-purine-6-thione
+C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O	DX5	d-xylitol-5-phosphate
+c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N	DX6	2-amino-5-(2-phenylethyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+c1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N	DX7	2-amino-4-oxo-6-phenyl-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+COc1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N	DX8	2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+[H]/N=C(\C)/N1CC[C@@H](C1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)/C(=N/[H])/N)C(=O)O	DX9	(2s)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3r)-1-[(1z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid
+CC[C@@H](C)c1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC	DXA	1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-(sec-butyl)-anthracene
+Cc1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@H](C)O)O)OC	DXB	1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-methyl-anthracene
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	DXC	(3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid
+C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O	DXD	(1s,3s,4r)-4-(phosphooxymethyl)-cyclopentane-1,3-diol
+COCCOC	DXE	1,2-dimethoxyethane
+CO/N=C(/c1ccco1)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)O	DXF	(2r)-5-[(carbamoyloxy)methyl]-2-[(1r)-1-{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+C([C@@H]([C@H](C(=O)[O-])O)O)[C@@H](C(=O)[O-])O	DXG	4-deoxyglucarate
+Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F	DXH	4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CC(=CCC/C(=C/C=C/C(=O)C)/C)C	DXJ	(3e,5e)-6,10-dimethylundeca-3,5,9-trien-2-one
+Cn1c2c(cn1)c(nc(n2)c3cccnc3)N	DXK	1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine
+[C@@H](C([C@@H](C(=O)O)O)O)(C(=O)O)O	DXL	d-xylaric acid
+Cc1cc(nn1C)NC2=CC(=NN(C2=O)C)c3ccc(c(c3F)NC(=O)c4cc5c(s4)CCCC5)F	DXM	n-(3-{5-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
+C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O	DXN	(1r,3s,4r)-4-(phosphooxymethyl)-cyclopentane-1,3-diol
+Cc1cccc(c1c2nc(nc(n2)SC)N3CCNCC3)C	DXO	2-(2,6-dimethylphenyl)-4-(methylsulfanyl)-6-(piperazin-1-yl)-1,3,5-triazine
+CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O	DXP	1-deoxy-d-xylulose-5-phosphate
+C[N@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C	DXQ	7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-n-(1-methylpiperidin-4-yl)quinazolin-4-amine
+CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Br)c(ncn2)N	DXR	3-(3-bromobenzyl)-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCNS(=O)(=O)c4cccc5c4cccc5N(C)C	DXS	2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide
+C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O	DXT	(4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
+C[C@@H]1[C@@H](C(NO1)c2c(cccc2Cl)Cl)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(O)O	DXU	(3r,4r,5r)-3-(2,6-dichlorophenyl)-n-{(1r)-1-[(2r,4s)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl} -5-methyl-1,2-oxazolidine-4-carboxamide
+c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(c(c4)C5CCCC5)C(=O)O	DXV	2-cyclopentyl-4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccco3	DXW	6-{[(3s,4s)-4-{2-[(furan-2-ylmethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CC(C(=O)O)C(=O)O	DXX	methylmalonic acid
+CS[C@@H](CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O	DXY	n-({4-[(1s)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-l-glutamic acid
+CS[C@H](CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O	DXZ	n-({4-[(1r)-4-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1-(methylsulfanyl)butyl]phenyl}carbonyl)-l-glutamic acid
+[Dy+2]	DY	dysprosium ion
+C[C@H](c1ccc(cc1)C(F)(F)F)n2c3c(cc(cc3S(=O)(=O)C)F)c4c2[C@@H](CCC4)CC(=O)O	DY1	[(1s)-6-fluoro-8-(methylsulfonyl)-9-{(1r)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1h-carbazol-1-yl]acetic acid
+Cc1c(c2ccc(cc2nc1c3cc(cnc3)c4ccc(cc4)OC(F)(F)F)OC)O	DY2	7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol
+Cc1cc(cc(c1C)C)n2c(nnc2SC)CCCO	DY3	3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol
+Cc1cc(nn1C)NC2=CC(=NNC2=O)c3ccc(c(c3F)NC(=O)c4cc5c(s4)CCCC5)F	DY4	n-(3-{5-[(1,5-dimethyl-1h-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
+Cc1ccc2c(c1[N+](=O)[O-])C(=O)C[C@H](O2)C(F)(F)F	DY5	(2~{s})-6-methyl-5-nitro-2-(trifluoromethyl)-2,3-dihydrochromen-4-one
+c1ccc2c(c1)CC[N@@](C2)S(=O)(=O)c3cccc(c3)C(=O)Nc4ccccc4C(=O)O	DY6	2-({[3-(3,4-dihydroisoquinolin-2(1h)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
+Cc1cc(nc([nH+]1)N)Nc2cc(cc(c2)Br)Br	DY7	2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium
+c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCOCC2	DY8	morpholinohistidine
+C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O	DY9	fluostatin c
+C(=C(/C(=O)O)\N)\C(=O)O	DYA	didehydroaspartate
+B1(OCCO1)OCCCC[NH3+]	DYB	4-(1,3,2-dioxaborolan-2-yloxy)butan-1-aminium
+c1cc(ccc1c2csc3n2ccn3)Br	DYC	3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole
+C[C@@H](CC[C@H](C)O)O	DYD	(2s,5s)-hexane-2,5-diol
+CCCCC/C=C/C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	DYF	[(3~{r})-2,2-dimethyl-4-[[3-[2-[[(~{e})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC(=O)O)N)CC(=O)O)O	DYG	(3s)-3-amino-3-[(4z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-2-yl]propanoic acid
+CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O	DYH	(2r,3ar,6s,7r,7ar)-2-[(2s)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2h-furo[3,2-b]pyran-2-carboxylic acid
+C/C(=C\C(=O)C(=O)O)/N1CCC[C@H]1C(=O)O	DYJ	1-[(2e)-4-carboxy-4-oxobut-2-en-2-yl]-l-proline
+CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3nccc(n3)c4c[nH]c5c4ccnc5	DYK	n-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1h-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
+C=CC[C@H](C(=O)O)N	DYL	(2r)-2-aminopent-4-enoic acid
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1OC[C@@H](CO)O)C(=O)O)O	DYM	(2r)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)CO[P@](=O)(O)O[C@H]4C[N@@](C[C@@H]4CO[P@@](=O)(O)OCCCO)Cc5c[nH]c6c5ncnc6N)O[P@](=O)(O)OCCCCO	DYN	5'-o-[(s)-{[(3r,4r)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[(s)-hydroxy(3-hydroxypropoxy)phosphoryl]oxy}methyl)pyrrolidin-3-yl]oxy}(hydroxy)phosphoryl]-3'-o-[(r)-hydroxy(4-hydroxybutoxy)phosphoryl]-2'-o-methylguanosine
+CCC(=O)C1CCN(CC1)Cc2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N	DYP	1-[1-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzyl)piperidin-4-yl]propan-1-one
+c1ccc2c(c1)c3ccccc3n2CC(=O)Nc4c(cccc4Cl)C#N	DYR	2-carbazol-9-yl-n-(2-chloranyl-6-cyano-phenyl)ethanamide
+c1c(cc(c(c1O)O)SC[C@@H](C(=O)O)N)CCN	DYS	s-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-l-cysteine
+c1c([nH]cn1)C[C@@H](C(=O)O)Cl	DYT	(2~{s})-2-chloranyl-3-(1~{h}-imidazol-5-yl)propanoic acid
+Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(c(c4)C)C	DYU	~{n}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide
+COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccc(cc5Cl)C(=O)N6CCC[C@H]6C(=O)O	DYV	1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5h)-yl]methyl}benzene-1-carbonyl)-l-proline
+C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)N)C(=O)O	DYW	(2~{s})-1-[(2~{s})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid
+COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)C4(CCCC4)c5ccc(cc5)Cl	DYX	1-(4-chlorophenyl)-n-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
+c1cc(c(c(c1)F)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)F	DYY	1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
+CCn1cnc2c1C(=O)NC(=O)N2Cc3ccccc3	DYZ	7-ethyl-3-(phenylmethyl)purine-2,6-dione
+C1[C@@H]([C@H](O[C@H]1C2=CC(=C(NC2=O)N)[N+](=O)[O-])COP(=O)(O)O)O	DZ	[(2~{r},3~{s},5~{r})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{h}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+COc1ccc2c(c1)C/C(=C\C3CCN(CC3)Cc4ccccc4)/C2=O	DZ0	(2~{e})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{h}-inden-1-one
+Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C	DZ1	n-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide
+c1cc(c(cc1Cl)C(=O)Nc2cc(c(c(c2)Br)O)Br)Cl	DZ2	2,5-dichloro-n-(3,5-dibromo-4-hydroxyphenyl)benzamide
+Cc1cc(cc(c1O)C)C(=O)Nc2cc(c(c(c2)Br)O)Br	DZ3	n-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N	DZ4	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
+c1cc(ccc1/C=C(/C(=O)O)\S)F	DZ5	(2z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid
+Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(C)C)C#Cc4cnc5n4cc(nc5)c6ccc(cc6)N	DZ6	3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{n}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide
+COc1cc2c(cc1OC)C(=O)/C(=C/C3CCN(CC3)Cc4ccccc4)/C2	DZ7	(2~{e})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{h}-inden-1-one
+CC(C)NCCCn1c(nc2c1nc(nc2N)F)Cc3cc4c(cc3I)OCO4	DZ8	2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine
+c1cc(cc(c1)F)NC(=O)c2c(c3ccc(nc3s2)c4cccs4)N	DZ9	3-amino-n-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
+CN(C)NC(=O)CCC(=O)O	DZA	daminozide
+c1ccc(cc1)C(CNC(=O)c2c(nsn2)O)c3ccccc3	DZB	n-(2,2-diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide
+Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(F)(F)F)C#Cc4cnc5n4ccnc5	DZC	3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{n}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
+c1cc(cc(c1)C(=O)N)CN2C[C@@H]([C@H](C2)O)CO[P@@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	DZD	5'-o-[(r)-{[(r)-{[(3r,4r)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
+CC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C	DZE	methyl (3s)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N	DZF	5-deazafolic acid
+COc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4	DZG	1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
+CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)CNS(=O)(=O)c4ccc5c(c4)CCCC(=O)N5	DZH	~{n}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
+c1cc([nH]c1)/C=N/NC(=O)c2cc(c(c(c2)O)O)O	DZI	3,4,5-tris(oxidanyl)-n-[(e)-1h-pyrrol-2-ylmethylideneamino]benzamide
+c1ccc(cc1)CC2=C(N=C3N(C2=O)c4ccc(cc4S3)Cl)O	DZJ	3-benzyl-8-chloro-2-hydroxy-4h-pyrimido[2,1-b][1,3]benzothiazol-4-one
+c1ccc(cc1)CS[C@@H](CC(=O)O)C(=O)O	DZK	(2~{s})-2-(phenylmethylsulfanyl)butanedioic acid
+CCc1nc(c(s1)C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)[C@H]5CCCO5	DZL	2-ethyl-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-4-[(2r)-oxolan-2-yl]-1,3-thiazole-5-carboxamide
+Cc1cnc(c2c1n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	DZM	3-deaza-3-methyladenine
+c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O	DZN	daidzin
+c1cc(cc(c1)N)c2cnn3c2nc(cc3)Nc4cccc(c4)Cl	DZO	3-(3-aminophenyl)-n-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
+CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl	DZP	7-chloro-1-methyl-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one
+CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(cc(c2)Cl)F	DZR	~{n}-[[1-[2-(~{tert}-butylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3-chloranyl-5-fluoranyl-benzamide
+c1ccc(c(c1)CN2c3nnc(n3-c4ccccc4C2=O)c5cc(ccc5O)C(=O)O)Cl	DZS	3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid
+CCCCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	DZT	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol
+Cc1ccc2c(c1)nc(n2c3cccc(c3)OCCCN4CCN(CC4)C)/C=C/c5cccc6c5nccc6	DZU	8-[(e)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline
+COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccccc5Cl	DZV	4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4h)-one
+CCCCCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	DZW	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol
+C1C[C@H]2[C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O	DZX	deoxy-galacto-noeurostegine
+Cc1c(nc(s1)C)CC(=O)O	DZY	(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid
+COP(=S)(O)OC	DZZ	o,o-dimethyl hydrogen thiophosphate
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@H]([C@@H]([C@@H]([C@H]4O)O)O)Nc6c7c(ncn6)n(cn7)[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O	E	n-((-)-(7s,8r,9s,10r)[7,8,9-trihydroxy-7,8,9,10-tetra hydrobenzo[a]pyren-10-yl])-2'-deoxy-adenosine-5'-monophosphate
+C[N+](C)(C)Cc1ccccc1	E00	benzyltrimethylammonium
+C1CC2(CCC1N)C3CC4CC(C3)CC2C4	E01	(1r,1's,3's,5's,7's)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine
+c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl	E02	5-(1h-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
+c1cc2c(cc1F)[nH]cc2C[C@H](C(=O)O)N	E03	6-fluoro-d-tryptophan
+CC1(CC[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)C(=O)N)C)OC1=O)C	E04	3-carboxamido-1,3,5(10)-estratrien-17(r)-spiro-2'(5',5'-dimethyl-6'oxo)tetrahydropyran
+CC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	E05	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol
+[B-]([C@H](C)NC(=O)c1c(cccc1F)F)(O)(O)O	E06	[(1r)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron
+B([C@@H](C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O	E07	trihydroxy-[(1s)-1-[[2-(phenylmethyl)phenyl]carbonylamino]ethyl]boron
+[B-]([C@@H](C)NC(=O)c1ccccc1C(C)C)(O)(O)O	E08	trihydroxy-[(1s)-1-[(2-propan-2-ylphenyl)carbonylamino]ethyl]boron
+Cn1c(c(c2c1C(=O)C=C(C2=O)N3CC3)CO)CCCO	E09	3-hydroxymethyl-5-aziridinyl-1methyl-2-[1h-indole-4,7-dione]-propanol
+CCCCS(=O)(=O)Nc1ccc2c3c1cccc3C(=O)N2CC	E0A	n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4CCN(CC4)C(=O)C	E0B	n-[(1-acetylpiperidin-4-yl)methyl]-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4cc(ccc4OC)Br	E0C	5-bromo-n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
+CC(=O)c1cn(c2c1cccc2)CC(=O)N3CCC[C@@H](C3)C(=O)O	E0D	(3s)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid
+CCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	E0E	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol
+CN(Cc1ccccc1NC(=O)C2=Cc3ccccc3NC2=O)C4CCCCC4	E0F	~{n}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{h}-quinoline-3-carboxamide
+CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C	E0G	4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide
+c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)Cl	E0H	5-(3,4-dichlorophenyl)furan-2-carboxylic acid
+Cc1cc(ccc1OCc2ccccn2)OC	E0J	2-[(4-methoxy-2-methylphenoxy)methyl]pyridine
+Cc1c(c(on1)C)c2ccc3c(c2)O[C@@H](C(=O)N3)CC4CC4	E0K	(2r)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4h-1,4-benzoxazin-3-one
+CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)C(=O)O	E0L	3-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid
+CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)c4[nH]nnn4	E0M	2-amino-7-(propan-2-yl)-3-(1h-tetrazol-5-yl)-5h-[1]benzopyrano[2,3-b]pyridin-5-one
+CN1c2ccc(cc2C[C@@H]1C(=O)N[C@H](C3CCCCC3)C(=O)O)Cl	E0N	(2~{r})-2-[[(2~{r})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid
+CC(C)(C(=O)O)Oc1ccc(cc1)Cl	E0O	2-(4-chloranylphenoxy)-2-methyl-propanoic acid
+CCOC(=O)c1cc2c(nc1N)Oc3ccc(cc3C2=O)C(C)C	E0P	ethyl 2-amino-5-oxo-7-(propan-2-yl)-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylate
+Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)CC(=O)O	E0Q	2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid
+CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O	E0R	4-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid
+CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)Nc4[nH]nnn4	E0S	2-amino-5-oxo-7-(propan-2-yl)-n-(1h-tetrazol-5-yl)-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxamide
+c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)O	E0T	5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid
+CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)CC(=O)O	E0U	2-[3-[[8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid
+CNc1ccc2c3c(c(nc(n3)NC)N4CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)sc2n1	E0V	4-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
+[H]/N=C(\C)/N1CC[C@H](C1)SC2C[C@@H](NC2C(=O)O)[C@H](CO)[C@@H](C)O	E0Y	(3s,5r)-5-[(2r,3r)-1,3-dihydroxybutan-2-yl]-3-({(3r)-1-[(1e)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-l-proline
+COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCNc3c4ccccc4nc5c3ccc(c5)Cl	E0Z	2-[1-[2-[(3-chloranylacridin-9-yl)amino]ethyl]-1,2,3-triazol-4-yl]-~{n}-[(3-methoxy-4-oxidanyl-phenyl)methyl]ethanamide
+C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4	E10	(s,s)-(-)-n,n'-di-5'-[5',6',7',8'-tetrahydro- 2'(1'h)-quinolynyl]-1,10-diaminodecane dihydrochloride
+CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OC	E11	n~4~-(1-benzylpiperidin-4-yl)-n~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine
+C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4	E12	(s,s)-(-)-n,n'-di-5'-[5',6',7',8'-tetrahydro- 2'(1'h)-quinolynyl]-1,12-diaminododecane dihydrochloride
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)OC)O)C(=O)NCC(C)(C)C)C	E13	n-[(2s,3s)-4-{(4r)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-n~2~-{(2s)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-l-valinamide
+CC(C)CNC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C	E14	(4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-n-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
+C[C@H](C(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C	E15	(4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-n-[(2r)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
+C[C@H](C(C)(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C	E16	(4r)-3-[(2s,3s)-3-[[(2s)-2-[[(2s)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-n-[(2r)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+C[C@H](C(C)(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)CN4CCOCC4)O)(C)C	E17	n-{(1s,2s)-1-benzyl-3-[(4r)-5,5-dimethyl-4-{[(1r)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-n~2~-{(2s)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-l-valinamide
+CN(C)CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1	E18	2-(dimethylamino)ethyl (1z)-2-phenyl-n-(sulfooxy)ethanimidothioate
+C#Cc1cccc(c1)Nc2c3c(cncn3)c4ccc(cc4n2)C(=O)O	E1B	5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid
+CCc1c(c(c(n1C)CC)S(=O)(=O)N)C(=O)O	E1C	2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid
+C[C@@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)C	E1D	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5h)-one
+Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N)C	E1E	2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N	E1F	2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
+c1cc(cc(c1)S(=O)(=O)N)C(=O)CSc2ncccn2	E1G	3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
+[H]/N=C\C	E1H	ethanimine
+COc1cc2c(cc1OCCN)nc(nc2NCCCNC(=O)C=C)N3CCCC3	E1J	n-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide
+C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl	E1K	6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine
+c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=S)Nc4ccc(cc4)OC(F)(F)F	E1L	n-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide
+C[C@@H](c1c(ccc(c1Cl)N)Cl)Oc2ccc3c(c2)c(c(cn3)/C=C/C(=O)O)C4CC4	E1M	(2e)-3-{6-[(1s)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid
+CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4[n+]3C)Cl)N)[C@@H](C2)C1	E1N	12-amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CS)C(=O)O)O	E1O	(2r)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid
+CCOC(=O)C(=O)N1CCCCC1	E1P	ethyl oxo(piperidin-1-yl)acetate
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COC(=O)C)C(=O)O)O	E1R	(2s)-3-acetyloxy-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid
+Cc1ccc(s1)c2ccc(cc2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N	E1S	n~2~-{3-[4-(5-methylthiophen-2-yl)phenyl]propanoyl}-l-alpha-glutamine
+c1cc2ccc(nc2nc1)C(=O)O	E1T	1,8-naphthyridine-2-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](COP(=O)(O)O)C(=O)O)O	E1U	(2s)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid
+Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)Cc3[nH]nnn3	E1W	6-chloranyl-5,7-dimethyl-4-(1~{h}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one
+CCN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC1=O	E1X	phosphoric acid mono-[5-(1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-9-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]ester
+C[C@@H](/C=C(\C)/C=C/C(=O)NO)C(=O)c1ccc(cc1)N(C)C	E1Z	s-trichostatin a
+COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4	E20	1-benzyl-4-[(5,6-dimethoxy-1-indanon-2-yl)methyl]piperidine
+CC[C@H]1/C=C/C=C/C[C@H]([C@@H]([C@@](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](/C=C/C(=O)O[C@@H]2[C@@H]([C@H](C[C@H]1O)O[C@@]3([C@H]2C)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)C)O)C)C)O)C)(C)O)O)C	E21	21-hydroxy-oligomycin
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCCNC2=O)[C@H](C#N)O)NC(=O)/C=C/c3ccccc3	E22	(2~{s})-~{n}-[(1~{r},2~{s})-1-cyano-1-oxidanyl-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{e})-3-phenylprop-2-enoyl]amino]propanamide
+CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F	E23	n-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide
+c1ccc(c(c1)C(=O)NCc2ccc(cc2Cl)Cl)C(F)(F)F	E24	n-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide
+CCNc1cc\2c(c(c1)O)C(=O)O[C@H]([C@@H](/C=C\C(=O)[C@H]([C@H](C/C=C2)O)O)C)C	E26	(4~{s},5~{r},6~{z},9~{s},10~{s},12~{e})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
+c1ccc2c(c1)c3c(cn2)nc([nH]3)SCC(=O)c4ccc(c(c4)S(=O)(=O)N)Cl	E27	2-chloro-5-[(1h-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide
+c1cc2c(cc1CNC(=O)c3cc(c[nH]3)c4c(cn[nH]4)c5ccc(c(c5)C(F)(F)F)CN)CCO2	E28	4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}-n-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1h-pyrrole-2-carboxamide
+c1cc(c(cc1Cl)/C=C/C(=O)O)n2cnnn2	E29	(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoic acid
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O	E2B	3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
+CCN(CC)CCCCCN1c2ccccc2Oc3c1cc(cc3)Cl	E2C	5-(2-chloranylphenoxazin-10-yl)-~{n},~{n}-diethyl-pentan-1-amine
+c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC4CCNCC4	E2F	2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine
+Cc1nnc(n1c2ccccc2CNC(=O)C)CNC(=O)C(N)O	E2G	(2r)-n-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4h-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide
+CCCCc1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N	E2I	4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(c4ccc(cc4)F)c5ccc(cc5)F)CC3	E2J	6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one
+c1nc(c2c(n1)n(c(n2)SCCCC(=O)O)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N	E2K	4-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid
+c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC[C@@H]4CCCNC4	E2L	2-chloranyl-10-[3-[(3~{s})-piperidin-3-yl]propyl]phenoxazine
+c1ccc(c(c1)OCC2CCC(CC2)C(=O)O)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)\C=C\C(=O)N4CCOCC4	E2M	cis-4-{[2-({4-[(1e)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid
+Cn1c(c(c(n1)O)C(=O)O)COc2cccc(c2)C(F)(F)F	E2N	1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid
+c1cc2c(cc1Cl)N(c3ccncc3O2)CCC[C@@H]4CCCNC4	E2O	7-chloranyl-5-[3-[(3~{s})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine
+CCCCC[C@H](\C=C\C1=C(C(=O)CC1)C\C=C/CCCC(=O)O)O	E2P	prostaglandin b2
+c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2NC(=O)C(=O)N3)[N+](=O)[O-]	E2Q	6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide
+c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CC4CCC(CC4)N	E2R	4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine
+CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)C4=C(ON(C4=O)C)C)C(=O)C	E2T	~{n}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
+c1cc2c(cc1Cl)N(c3ccncc3O2)CCC4CCN(CC4)CCN	E2U	2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine
+CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](C)OC(=O)CCCCCCCCCCCCCCC	E2V	(2r)-2-(hexadecanoyloxy)propyl nonadecanoate
+c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)CNO)O	E2W	6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol
+c1cncc2c1N(c3cc(c(cc3O2)N)Cl)CCC[C@@H]4CCCNC4	E2X	7-chloranyl-5-[3-[(3~{s})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine
+c1cc(cc(c1)F)CCNCCc2ccnc(n2)n3ccnc3	E2Z	2-(3-fluorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine
+c1cc(ccc1c2[nH]nnn2)N	E30	4-(1h-tetrazol-5-yl)aniline
+CCc1cc(nc(n1)c2cccc(c2)Cl)Cc3ccc(cc3)CC(=O)N	E31	2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide
+c1cn-2c(n1)C(=O)N(c3c2cc(c(c3)N4CC[C@@H](C4)N)F)C5CC5	E32	7-[(3~{s})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one
+CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@@H]3c4ccc(cc4CCN3C2)OC	E33	(8~{a}~{r},12~{a}~{s},13~{a}~{r})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine
+CCOC(=O)c1ccc(c(c1)N)N	E34	ethyl 3,4-diaminobenzoate
+CCOC(=O)c1cc(cc(c1)O)O	E35	ethyl 3,5-dihydroxybenzoate
+c1cc(c(cc1C(=O)CSc2[nH]c3cc4c(cc3n2)OCCO4)S(=O)(=O)N)Cl	E36	2-chloro-5-[(6,7-dihydro-1h-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)N	E37	n~2~-[4-(4-phenylthiophen-2-yl)benzoyl]-l-alpha-glutamine
+c1cc(c(cc1C(=O)CSc2[nH]c3ccc(cc3n2)Br)S(=O)(=O)N)Cl	E38	5-{[(5-bromo-1h-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
+CC(C)N1c2cccc(c2C[C@H]1c3cnc[nH]3)F	E39	(2~{s})-4-fluoranyl-2-(1~{h}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole
+c1cc(ccc1n2ccc(n2)C3[C@H]4[C@@H]3CN(C4)C(=O)ON5C(=O)CCC5=O)F	E3A	1-({(1r,5s,6r)-6-[1-(4-fluorophenyl)-1h-pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carbonyl}oxy)pyrrolidine-2,5-dione
+CCOc1ccc(cc1c2cccc(c2)N3CCCC(C3)(F)F)C(=O)C	E3B	1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone
+CCN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	E3C	3-ethyl, cytidine-5'-monophosphate
+Cn1c2ccccc2[n+](c1[Ru](Cl)Cl)C	E3D	dichloro(1,3-dimethyl-1h-benzimidazol-3-ium-2-yl)ruthenium
+c1cnccc1c2cc3c(cc2F)-n4ccnc4C(=O)N3C5CC5	E3E	5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one
+CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3c4ccc(cc4CCN3C2)OC	E3F	(8~{a}~{r},12~{a}~{s},13~{a}~{s})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	E3G	estrone beta-d-glucuronide
+CCN1C(=O)C(=C(O1)C)c2cc(cc(c2)NC(=O)c3ccco3)c4cc(ccc4OCC)C(=O)C	E3H	~{n}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
+c1nc(c2c(n1)n(c(n2)SCC(=O)NCCS)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	E3K	azanylidene-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[2-oxidanylidene-2-(2-sulfanylethylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium
+CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)S(=O)(=O)O)N	E3M	(1r)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-d-glycero-d-galacto-octitol
+CC(C)S(=O)(=O)N1CCC2(CC1)C[C@H](CCO2)NC(=O)NCc3ccc(cc3)OC(F)(F)F	E3N	1-[(4~{s})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@H]2O)O)O	E3O	(16alpha,17alpha)-estra-1,3,5(10)-triene-3,16,17-triol
+c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N	E3P	n~2~-[3-(1,1':4',1''-terphenyl-4-yl)propanoyl]-l-alpha-glutamine
+CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCc4ccccc4OC)OC)C	E3Q	1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1h-pyrazol-5-one
+CC(C)(C)c1ccc(cc1F)NC(=O)[C@H]2c3ccc(cc3CCN2C(=O)CC4=CC(=O)NO4)OC	E3S	(1r)-n-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
+CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(noc4C)C)C(=O)C	E3T	~{n}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
+c1cc(c(c2c1C3=C4C=C(C(=O)C=C4C[C@@]3(CO2)O)O)O)O	E3U	(6ar)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one
+CC1(C=Cc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)C5CC(C5)CC(=O)O)OC)F)C	E3V	{cis-3-[(5r)-5-[(7-fluoro-1,1-dimethyl-1h-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5h)-carbonyl]cyclobutyl}acetic acid
+CN1CCC(=CC1)c2ccc(cc2)O	E3X	4-(1-methyl-3,6-dihydro-2h-pyridin-4-yl)phenol
+COc1ccc2c(c1)CCCN2c3c4cccnc4nc(n3)Cl	E3Y	2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2h)-yl)pyrido[2,3-d]pyrimidine
+C=CC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccccc3)Cl	E3Z	~{n}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide
+CC(C)ON([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c3ccc(cc3)c4ccc(cc4)OC	E40	(2r)-4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-n-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide
+CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1	E41	n-hydroxy-n^2^-(3-methylbutyl)-n^2^-(naphthalen-2-ylsulfonyl)-d-valinamide
+c1cc(cc(c1)c2cccc(c2)O)C[C@H](C(=O)O)N	E42	(r)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid
+O=[W]1234O[W]567(=O)[OH+2]1[W]8(=O)(O2)(O5)O[W]912(=O)O[W]5%10(=O)(O3)[O+]9[W]3(=O)(O5)(O1)O[W]159(=O)O[W]%11(=O)(O4)(O%10)[OH+2]1[W](=O)(O%11)(O6)(O5)O[W]14(=O)(O7)O[W]5(=O)(O8)(O2)[O+]1[W](=O)(O9)(O4)(O5)O3	E43	12-polytungstate
+COc1ccc2c(c1)CCCN2c3c4c(cccn4)nc(n3)Cl	E44	2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2h)-yl)pyrido[3,2-d]pyrimidine
+c1cc(cc(c1)OC(F)(F)F)n2c3c(ccc(n3)NCC4CCNCC4)nn2	E46	n-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNc4[nH]c5cc6c(cc5n4)C(=O)NC(=N6)N)C	E48	6-azanyl-2-[[(1~{r},2~{s},6~{s},9~{r})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
+Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl)C	E49	2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)C)C(=O)N3)O	E4A	(4s)-19-acetyl-4-[(1r)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+CCOC(=O)c1ccc(cc1)O	E4B	ethyl 4-hydroxybenzoate
+c1cc(ccc1[C@@H]2[C@@H](Oc3ccc(cc3S2)O)c4ccc(cc4)OCCN5CCCCC5)O	E4D	(2s,3r)-2-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-2,3-dihydro-3-(4-hydroxyphenyl)benzo[b][1,4]oxathiin-6-ol
+CO[C@H]1[C@@H]([C@@H]([C@H](O1)CNc2[nH]c3cc4c(cc3n2)C(=O)NC(=N4)N)O)O	E4E	6-azanyl-2-[[(2~{r},3~{s},4~{r},5~{r})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
+c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCN	E4F	5-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
+CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)OCC(=O)C)C(=O)N2)O	E4G	(4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)C)C	E4H	(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione
+CCCCNc1cc(cc(n1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)NCCCC)O	E4J	2-(butylamino)-n-[(2s,3s,5r)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide
+Cc1ccccc1c2cccc3c2[nH]c(c3CCCOc4cccc5c4CCCC5)C(=O)O	E4K	7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{h}-indole-2-carboxylic acid
+CCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCC	E4L	ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate
+C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C	E4M	1-{4-[(6s,6ar,7r)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8h-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-o-{5-o-[(s)-{[(1s)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-ribitol
+CC[N+](CC)(CC)CC	E4N	tetraethylammonium ion
+C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)N)O	E4O	(2s,3r)-2-azanyl-n-[(e)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide
+C([C@H]([C@H](C=O)O)O)OP(=O)(O)O	E4P	erythose-4-phosphate
+Cc1cc(nn1C)CSCc2c(c(n(n2)C)C)c3cccc4c3[nH]c(c4CCCOc5cccc6c5cccc6)C(=O)O	E4Q	7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxylic acid
+C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@]4(c5ccoc5)O)O)C)O	E4R	(3s,5r,8r,9s,10s,13s,14s,17s)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1h-cyclopenta[a]phenanthrene-3,14,17-triol
+COc1c(cc(cn1)c2ccc3c(c2)n(c(n3)N)c4ccc(cc4)N5CCOCC5)S(=O)(=O)Nc6ccccc6F	E4S	5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1h-benzimidazol-6-yl}-n-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
+CC1CC(CC(C1)(O)O)(O)O	E4T	5-methylcyclohexane-1,1,3,3-tetrol
+B([C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)c3cc(ccc3Cl)Cl)(O)O	E4U	[(1~{r})-1-[[(2~{s})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{h}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid
+c1c[nH]c2c1c(cc(n2)N)c3cnc(cn3)N	E4V	4-(5-aminopyrazin-2-yl)-1h-pyrrolo[2,3-b]pyridin-6-amine
+Cc1c-2c(nn1C)CSCc3cc(n(n3)C)CSc4cc5ccccc5c(c4)OCCCc6c7ccc(c2c7n(c6C(=O)O)C)Cl	E4W	azd5991
+C[C@H](c1cccc2c1cccc2)[C@@H](C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4)Br	E4X	4-bromo-n-((1s,2r)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide
+CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCN(C(=O)c2cc(cc(c2)OCC)C(=O)N1)CC)C)O	E4Y	(2r,4s)-n-butyl-4-[(4s,6r)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide
+c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O	E4Z	baloxavir acid
+CCc1cnc(nc1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl	E50	2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCc2cccc(c2)CS(=O)(=O)C[C@H](C(=O)N1)C)C)O	E51	(2r,4s)-n-butyl-4-[(5s,8s,10r)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide
+CC(CO)(CO)NC(=O)C12[CH]3=[CH]4[Ru]3156([CH]4=[CH]52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)N(C2=O)C)C=C(C=[N]61)F)O)C#O	E52	methylated ruthenium pyridocarbazole
+C[C@H]1CC[C@@H]2C[C@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@H]3CCCCN3C(=O)C(=O)[C@]1(O2)O)[C@@H](C)C[C@@H]4CC[C@H]([C@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC	E53	everolimus
+CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCCCC\C=C/CCCCCC)O)OCCCCCCCCCC	E55	3-o-decyl-2-deoxy-6-o-{2-deoxy-3-o-[(3r)-3-methoxydecyl]-6-o-methyl-2-[(11z)-octadec-11-enoylamino]-4-o-phosphono-beta-d-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-o-phosphono-alpha-d-glucopyranose
+c1cc(cc(c1)n2cc(cn2)c3c4cc(c(cc4[nH]n3)Cl)N[C@@H]5CCNC5)C#N	E56	3-[4-[6-chloranyl-5-[[(3r)-pyrrolidin-3-yl]amino]-1h-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile
+CC[C@@H](CO)Nc1ncc(c(n1)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl)C	E57	n-[(1s)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2s)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1h-pyrrole-2-carboxamide
+CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(cc2)S(=O)(=O)N	E59	4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+C[C@H]1C(=O)N[C@@H](Cc2cccc(c2)OCCCCCC(=O)N1C)[C@@H](CNCc3cccc(c3)C(C)C)O	E5A	(10s,13s)-13-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione
+CC[C@H]1CCCN(C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	E5C	(3r)-3-[[(3s)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+CCN1CCCCC[C@H](C[C@H](NC(=O)c2cccc(c2)C1=O)[C@@H](CNCc3cccc(c3)C(C)C)O)C	E5D	(9r,11s)-3-ethyl-11-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
+c1cc(c(cc1[C@H](C[NH3+])O)O)O	E5E	noradrenaline
+C(CCO)CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	E5G	5-hydroxypentyl alpha-d-glucopyranoside
+c1ccc(cc1)c2ccc(cc2)OCC(=O)NCCCN3CCCCC3	E5H	2-(4-phenylphenoxy)-~{n}-(3-piperidin-1-ylpropyl)ethanamide
+CN(C)C1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)Nc4ccccc4P(=O)(C)C)Cl	E5J	5-chloro-n~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-n~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine
+CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccc(cc4)OC	E5K	1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone
+CCCCCCCCCCC(C)(C)C(=O)Nc1c(cc(cc1OC)OC)OC	E5L	2,2-dimethyl-n-(2,4,6-trimethoxyphenyl)dodecanamide
+C[C@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)C	E5M	(7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5h)-one
+C[C@H](CCC(=O)O)C(=O)O	E5N	(2~{r})-2-methylpentanedioic acid
+CCc1c2[n+](ccn1)[Cu-2]3([N+](=C2C)N=C(S3)N(C)C)Br	E5O	2-bromanyl-9-ethyl-~{n},~{n},7-trimethyl-3-thia-1$l^{4},5,6$l^{4},10-tetraza-2$l^{4}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),4,6,9,11-pentaen-4-amine
+C[C@@H]1CCCCCN(C(=O)c2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)c4ncco4)[C@H](C)c5ccccc5	E5P	(9r,11s)-11-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1r)-1-phenylethyl]-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
+Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3cccnc3)O	E5Q	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{r})-oxidanyl(pyridin-3-yl)methyl]phenol
+C[C@@H]1CCCN(C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	E5R	(3r)-3-[[(3r)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O	E5S	(3r)-3-({2-benzyl-6-[(3r,4s)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol
+Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](C3CC3)O	E5T	3-[(~{r})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
+COC(C(=O)O)C(=O)O	E5U	2-methoxypropanedioic acid
+COCc1cc2cc(c1)NCCCCOc3cccc(c3)C[C@H](NC2=O)[C@@H]([C@H]4CO[C@H](CN4)COC)O	E5V	(4s)-4-{(s)-hydroxy[(3r,6r)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+Cc1c(c(on1)C)c2cc(cc(c2)O)CN3CCC(CC3)(F)F	E5W	3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
+c1cc(ccc1CO)C(=O)O	E5X	4-(hydroxymethyl)benzoic acid
+CCCc1cc(n[nH]1)CNC[C@H]([C@@H]2C[C@@H](CCCCCCOCC(=O)N([C@H](C(=O)N2)C)C)C)O	E5Y	(5s,8s,10r)-8-[(1r)-1-hydroxy-2-{[(5-propyl-1h-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione
+c1cc(ccc1C(=O)NCCC(=O)/N=C/Cc2cnc[nH]2)S(=O)(=O)N	E5Z	~{n}-[3-[(~{e})-2-(1~{h}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide
+C1C(=O)NC(=S)S1	E60	2-sulfanylidene-1,3-thiazolidin-4-one
+C[C@@H]1CCOCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC	E61	(10s,12s)-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-7-oxa-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one
+C[C@@H]1CCC(=O)[C@H]([C@H](C/C=C/c2cc(cc(c2C(=O)O[C@H]1C)O)NC)O)O	E62	(3s,4r,8s,9s,11e)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
+c1ccc(cc1)Nc2cnc(nc2Nc3cc(n[nH]3)C4CC4)Nc5ccc6c(c5)NNC6=O	E63	6-({4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3h-indazol-3-one
+CC(C)C[C@@H](C(=O)NCCCCNC(=[NH2+])N)NC(=O)[C@H](CC(=O)O)O	E64	n-[n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-butyl]-guanidine
+Cc1cc(nc(n1)SCC(=O)c2ccc(cc2)S(=O)(=O)N)C	E65	4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OCCCCCN	E67	7-[(5-aminopentyl)oxy]-n~4~-(1-benzylpiperidin-4-yl)-n~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine
+c1cc(ccc1C(=O)NCC(=O)NCCc2c[nH]cn2)S(=O)(=O)N	E68	~{n}-[2-[2-(1~{h}-imidazol-4-yl)ethylamino]-2-oxidanylidene-ethyl]-4-sulfamoyl-benzamide
+[H]/N=C(/N)\NCCCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)N[C@@H](CCCN/C(=N\[H])/N)C(=O)N1CCC[C@H]1C(=O)N)O	E69	n~2~-[(3s)-4-({(2r)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-l-arginyl-l-prolinamide
+c1ccc2c(c1)C(=O)[C@@H]([C@H](C2=O)O)[C@@H]3[C@@H](C(=O)c4ccccc4C3=O)Br	E6A	(2~{r},3~{r})-2-[(2~{s},3~{s})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione
+c1cc(ccc1C(=O)NCCc2c[nH]cn2)S(=O)(=O)N	E6B	~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]-4-sulfamoyl-benzamide
+CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)O	E6C	n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-2-methyl-butane
+CCOC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)O	E6D	ethyl (3s)-3-hydroxy-4-({(2s)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
+COc1ccccc1COc2cc(ccc2OC)C3=NN(C(=O)[C@H]4[C@H]3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6	E6E	4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one
+C1CC[C@@H]([C@H](C1)C(=O)O)N	E6F	(1~{s},2~{s})-2-azanylcyclohexane-1-carboxylic acid
+CCOc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	E6G	6-ethyl, guanosine-5'-monophosphate
+CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)C(=O)N2)COC)O	E6J	(4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)NCCCCC(=O)O	E6K	5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid
+COc1ccc(cc1Cl)CNc2c(cnc(n2)N3CCC[C@H]3CO)C(=O)NCc4ncccn4	E6L	4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]-n-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide
+C[C@@H]1CCCCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC	E6M	(10r,12s)-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one
+COc1ccccc1COc2cc(ccc2OC)C3=NN(C(=O)[C@@H]4[C@@H]3CCCC4)C5CCN(CC5)c6ccc7ncc(n7n6)[N+](=O)[O-]	E6N	(4~{a}~{s},8~{a}~{s})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one
+C[C@H](c1cccc2c1CCC2)[C@@H](C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4C(=O)N)Cl	E6O	5-chloro-2-(n-((1s,2r)-2-(2,3-dihydro-1h-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide
+C[C@@H]1CCOCCCCNc2cc(cc(n2)Cl)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O	E6P	(10s,12s)-17-chloro-12-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-10-methyl-7-oxa-2,13,18-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one
+c1ccc(cc1)c2c[nH]c3c2ccc4c3C(=O)N=C4	E6Q	3-phenyl-1~{h}-pyrrolo[3,4-g]indol-8-one
+Cc1c(cn(c1c2ccccc2C(F)(F)F)CCO)C(=O)Nc3ccc(cc3)S(=O)(=O)C	E6R	1-(2-hydroxyethyl)-4-methyl-n-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
+C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)C(CNCc2cccc(c2)C(C)C)(O)O)C)C	E6S	(3s,14r,16s)-16-[1,1-dihydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
+c1cc(cc(c1)O)c2c[nH]c3c2ccc4c3C(=O)N=C4	E6T	3-(3-hydroxyphenyl)-1~{h}-pyrrolo[3,4-g]indol-8-one
+c1ccc(cc1)C[C@@H](C(=O)NCCCNC(=N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O	E6U	n-[(1s)-1-benzyl-2-(3-guanidinopropylamino)-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide
+C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CN[C@H]2CC(Oc3c2cc(cc3)C(C)C)(C)C)O)C)C	E6V	(3s,14r,16s)-16-[(1r)-2-{[(4s)-2,2-dimethyl-6-(propan-2-yl)-3,4-dihydro-2h-1-benzopyran-4-yl]amino}-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
+c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4	E6W	2-bromanyl-3-phenyl-1~{h}-pyrrolo[3,4-g]indol-8-one
+C[C@@H]1CCCCCCOCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNC2(CC2)c3cccc(c3)C(C)(C)C)O)C)C	E6Y	(5s,8s,10r)-8-[(1r)-2-{[1-(3-tert-butylphenyl)cyclopropyl]amino}-1-hydroxyethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione
+COc1ccc(cc1C#CC(=O)N)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4	E6Z	 3-{5-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide
+COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O	E70	n-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide
+c1cc(c(c(c1)F)F)c2cnoc2c3c[nH]c4c3cc(cn4)c5ccncc5	E71	3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1h-pyrrolo[2,3-b]pyridine
+CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN	E72	7-[(5-aminopentyl)oxy]-n~4~-[1-(5-aminopentyl)piperidin-4-yl]-n~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine
+CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)CCCCNc4cc(cc(n4)OC)C(=O)N2)O	E74	(4s)-4-[(1r)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-18-methoxy-3,15,17-triazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaen-2-one
+Cc1c(c(no1)c2ccccc2)c3ccnc(n3)NC4CCC(CC4)O	E75	trans-4-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino}cyclohexanol
+CN(C)C(=O)c1cc2cc(c1)OCCCCOc3cccc(c3)C[C@H](NC2=O)[C@H](CO)O	E77	(4s)-4-[(1r)-1,2-dihydroxyethyl]-n,n-dimethyl-2-oxo-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaene-19-carboxamide
+Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4c(nc(s4)NC(=O)C)C	E78	~{n}-[5-[2-[(1~{s})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{h}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
+C[C@H](CC(=O)O)N[C@@H](C(=O)O)O	E79	(3r)-3-[[(1r)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid
+C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)N[C@@H](C1)[C@H](CO)O	E7A	(10r,12s)-12-[(1r)-1,2-dihydroxyethyl]-n,n,10-trimethyl-14-oxo-2-oxa-13-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-17-carboxamide
+C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@@H]([C@@H](C(C)C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)OC)O)O)C)O[C@H]1CC[C@H](C)C(=O)C	E7B	(2z)-2-[(1r)-3-{[(1r,2s,3r,6s,7s,10r)-10-{(2s,3s,6r,8s,9r)-3,9-dimethyl-8-[(3s)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
+CC(=CCc1cc(ccc1O)C[C@@]2(C(=C(C(=O)O2)O)c3ccc(cc3)O)C(=O)OC)C	E7C	methyl (2r)-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate
+CCCCC[C@H](CN(CO)O)C(=O)NCNC(=O)c1cc2cccc(c2o1)OC	E7D	n-({[(2r)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide
+c1cc(cc(c1)NC(=O)c2cccc3c2cc([nH]3)C(=O)N)CN	E7E	~{n}4-[3-(aminomethyl)phenyl]-1~{h}-indole-2,4-dicarboxamide
+c1cc(ccc1CCC(=O)c2c(cc(c(c2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	E7F	1-[3-[(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
+CCN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	E7G	7-ethyl, guanosine-5'-monophosphate
+c1cc2c(cc([nH]2)C(=O)N)c(c1)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)N	E7H	4-[[(5~{s},7~{r})-3-azanyl-1-adamantyl]carbonylamino]-1~{h}-indole-2-carboxamide
+CC(C)C[C@H](C(=O)SCCNC(=O)C)N	E7L	s-(2-acetamidoethyl) (2r)-2-azanyl-4-methyl-pentanethioate
+Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CNCCN5CCOCC5	E7M	3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-n-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide
+CCCS(=O)(=O)Nc1cc(ccc1OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4	E7N	~{n}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide
+C(CP(=O)(O)O)[C@@H](C(=O)O)N	E7P	(2s)-2-amino-4-phosphonobutanoic acid
+CCCCCC(=O)N([C@H]1CC(=O)N(C1=O)c2ccc(cc2)Cl)O	E7Q	~{n}-[(3~{s})-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-~{n}-oxidanyl-hexanamide
+CCCn1cnc2c1C(=O)N(C(=O)N2C)C	E7R	1,3-dimethyl-7-propyl-purine-2,6-dione
+Cc1cc2c(cc1C)nc([nH]2)CO	E7S	(5,6-dimethyl-1h-benzimidazol-2-yl)methanol
+CC[C@@H]1C[C@@]([C@H](c2c1c(c(c(c2)F)F)O)Nc3cccc4c3C=CC(=O)N4)(C(F)(F)F)O	E7T	5-[[(1s,2r,4r)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1h-naphthalen-1-yl]amino]-1h-quinolin-2-one
+C[C@H]1CC[C@]2([C@H]([C@@H]3[C@@H](O2)[C@@H]([C@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H]6[C@]5(C[C@@H]([C@H](C6)O)O)C)C)O)C)OC1	E7U	(1s,2r,3r,4r,5's,6s,7s,8s,9r,12r,13r,15s,16s,18r)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol
+CN(C)C(=O)c1ccc(cc1)Cn2c3cc(cc(c3cc2C(=O)O)Br)Sc4ccc(c(c4)Cl)Cl	E7V	4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1h-indole-2-carboxylic acid
+c1ccc2c(c1)c(nc(n2)N[C@H]3CCCC[C@H]3C(=O)O)Nc4cccc(c4)CN	E7W	(1~{r},2~{s})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)[O-])[NH3+])CCO)O)O)N	E7X	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO	E7Y	(5z,8z,11z,14z)-n-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
+CN1C=C(C(=O)C=C1C(=O)O)O	E7Z	1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid
+CCN(c1ccc(c(c1)OCC(C)C)C(C)C)c2ccc(cn2)C(=O)O	E80	6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
+c1ccc2c(c1)CCC[C@@H]2NC(=O)c3cccc(c3)c4cccc(c4)CN	E82	3-[3-(aminomethyl)phenyl]-~{n}-[(1~{s})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
+CC(=O)/C(=N\Nc1cccc(c1)S(=O)(=O)Nc2ccccc2C(=O)O)/C(=O)c3ccccc3	E83	2-[[3-[(2e)-2-[1,3-bis(oxidanylidene)-1-phenyl-butan-2-ylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid
+c1ccc(cc1)C2(CCCCC2)C(=O)OCCN3CCOCC3	E84	2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate
+c1cc(cc(c1)Nc2c3c([nH]n2)ncnc3Nc4cccc(c4)O)CN	E85	3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{h}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
+Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4Cl	E86	4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-n-[(1s)-2-hydroxy-1-phenylethyl]-1h-pyrrole-2-carboxamide
+CCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](CO)NC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC	E87	(2r)-3-{[(2r)-2-(decanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl ditetradecanoate
+CC(C)[C@@H](C(=O)O)Nc1nc2ccccc2c(n1)Nc3cccc(c3)CN	E88	(2~{s})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid
+COc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3	E89	6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CC(C)CC(=O)Nc1cccc(c1)c2cccc(c2)CN	E8B	~{n}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide
+CC(C)C[C@H](C(=O)NO)NC(=O)NCc1ccc(cc1F)F	E8C	(2r)-2-[[2,4-bis(fluoranyl)phenyl]methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+c1ccc(cc1)N2CC(=O)Nc3c2nc(nc3)Nc4cc(c(c(c4)F)O)F	E8D	2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5h)-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O)NC(=O)/C=C/c3ccccc3	E8E	(2~{s})-4-methyl-~{n}-[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide
+Cc1ccc(cc1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO	E8F	(2s)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+Cc1cccc(c1C)CNC(=O)N[C@@H](CC(C)C)C(=O)NO	E8G	(2s)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)C(=O)CN5C(=O)CCC5=O	E8H	1-(2-{4-[(4as,8ar)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione
+CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc3c(nccn3)OC	E8J	(1r,3s,4s)-2-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-n-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
+c1ccc(cc1)S(=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4c3cccc4	E8K	[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{h}-indole-3-carboxylate
+CCN(c1ccc(c(c1)OCCOC)C(C)C)c2ccc(cn2)C(=O)O	E8L	6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
+CN(C)Cc1nc(on1)[C@@H](CCCC2CCCCC2)CC(=O)NO	E8M	(3s)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-n-hydroxyhexanamide
+CCC1(CCCCC1)C	E8N	1-ethyl-1-methyl-cyclohexane
+CCN(c1ccc(c(c1)C(C)C)OCC(C)C)c2ccc(cn2)C(=O)O	E8O	6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
+CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](c3ccccc3)C(=O)O	E8P	(2~{s})-2-[[(1~{r},3~{s},4~{s})-2-[(2~{r})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(CCN)O)OC(=O)CCCCCCCCCCCCCCC	E8Q	2-azanylethyl-[(2~{s})-2,3-di(hexadecanoyloxy)propoxy]phosphinic acid
+Cc1ccc(cc1C)CNC(=O)N[C@H](CC(C)C)C(=O)NO	E8R	(2r)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-n-oxidanyl-pentanamide
+COc1ccc(cc1)S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](Cc4cccs4)C(=O)NO	E8S	n~2~-[(2h-1,3-benzodioxol-5-yl)methyl]-n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]-3-thiophen-2-yl-d-alaninamide
+C(CC(=O)O)[C@H](CC(=O)C(=O)O)O	E8U	(4r)-4-oxidanyl-2-oxidanylidene-heptanedioic acid
+c1c(cc(c(c1F)O)F)c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F	E8V	4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol)
+CC(C)O[P@](=O)(C)OC	E8W	2-[methoxy(methyl)phosphoryl]oxypropane
+CCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O	E8X	(2~{s},3~{s},4~{r},5~{r})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
+Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O	E8Z	~{n}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide
+c1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N	E90	4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
+c1ccc2c(c1)-c3ccccc3C2=N/N=C/c4ccc(cc4)C(=O)O	E91	4-[(e)-(9h-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid
+c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl	E92	~{n}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide
+c1cc(cc(c1)Cl)c2c(c(sc2c3ccnc(n3)Nc4cccc(c4)O)NCCN5CCCCC5)C#N	E94	4-(3-chlorophenyl)-5-{2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}-2-{[2-(piperidin-1-yl)ethyl]amino}thiophene-3-carbonitrile
+Cc1cccc2c1[nH]cc2C[C@@H](C(=O)O)N	E95	7-methyl-l-tryptophan
+c1cc(ccc1c2[nH]c3cc(ccc3n2)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O)O	E96	4-{[4-hydroxy-phenyl]-1h-benzimidazole-5-yl}-benzimidazole-2-yl-[4-hydroxy-benzene]
+CN(C)CCCOc1ccc(cc1)c2[nH]c3ccc(cc3n2)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)OCCCN(C)C	E97	[3-(4-{2'-[4-(3-dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine
+c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)F	E98	~{n}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide
+C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)C[N]2=C(N(c3c2cccc3)C)COc4ccccc4)C(C)C	E9A	[(1~{r},2~{r},5~{s})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate
+C1C(=O)C(=CC(=O)C1=O)C[C@@H](C(=O)O)N	E9C	(2s)-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)[O-])C(=O)NCCCC(=O)N5CCN(CC5)Cc6c(c(nc(n6)c7ccccn7)c8ccc(cc8Cl)F)C(=O)OC	E9D	heteroaryldihydropyrimidine tetramethylrodamine
+CCO[P@](=O)(C)OC	E9E	1-[methoxy(methyl)phosphoryl]oxyethane
+C[C@@H]1COCCN1c2nc(cc(n2)C3(CC3)S(=N)(=O)C)c4ccnc5c4cc[nH]5	E9F	4-(6-{1-[(r)-s-methanesulfonimidoyl]cyclopropyl}-2-[(3r)-3-methylmorpholin-4-yl]pyrimidin-4-yl)-1h-pyrrolo[2,3-b]pyridine
+C[C@@H](c1ccccc1)N(C(=O)C(=O)O)O	E9G	{hydroxy[(1s)-1-phenylethyl]amino}(oxo)acetic acid
+CCCCCCCCCCCCCCCCOP(=O)(O)O	E9H	hexadecyl dihydrogen phosphate
+C[C@@H](c1ccccc1)NC(=O)C(=O)O	E9J	oxo{[(1s)-1-phenylethyl]amino}acetic acid
+C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1N2)O)O)CO	E9K	(1~{r},2~{r},3~{r},4~{r},6~{r})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol
+Cc1ccc(cc1)C2=NC(=O)C3=CC=C[NH+](C3=C2)C	E9L	(1s)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium
+CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O	E9M	n-methyl-l-tryptophan
+c1ccc(cc1)CS[C@H](CC(=O)O)C(=O)O	E9N	(2~{r})-2-(phenylmethylsulfanyl)butanedioic acid
+CCCCCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O	E9O	(2~{s},3~{s},4~{r},5~{r})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
+CCc1ccc(c(c1)O)Oc2ccccc2	E9P	5-ethyl-2-phenoxyphenol
+C1CCN(C1)c2c(c([nH]n2)N)C#N	E9Q	5-azanyl-3-pyrrolidin-1-yl-1~{h}-pyrazole-4-carbonitrile
+c1ccc(cc1)COC(=O)N[C@@H](CCCC[n+]2ccc(c(c2)O)CO)C(=O)O	E9R	(2~{s})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid
+c1cc(c(c(c1)O)Br)C(=O)C=C(C(=O)O)O	E9S	(2z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+c1cc(cc2c1cc(cc2)C(=O)O)c3ccc(c(c3)C45CC6CC(C4)CC(C6)C5)O	E9T	6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCSC[C@@H](C(=O)O)N)C(=O)O)O	E9U	(2~{s})-4-[(2~{r})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{e})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid
+CN[C@@H](Cc1cnc[nH]1)C(=O)O	E9V	n-methyl-l-histidine
+C#CCNC(=O)CSc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=N)O)O)N	E9W	azanylidene-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium
+CC1(N=C(N=C(N1OCCCN(Cc2ccccc2)c3ccc(cc3)Cl)N)N)C	E9X	1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
+Cc1c2c(nc(nc2on1)C)N3CCCc4c3ccc(c4)OC	E9Y	1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
+COCCOc1ccc(cc1)Nc2ncc(c(n2)NC3CC3)Cl	E9Z	5-chloro-n~4~-cyclopropyl-n~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine
+CC1(N=C(N=C(N1OCC(=O)Nc2ccc(cc2)Cl)N)N)C	EA0	2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-n-(4-chlorophenyl)ethanamide
+c1cn2cnc3c(c2n1)nc[nH]3	EA1	3h-imidazo[2,1-i]purine
+C(CO[P@@](=O)(O)OP(=O)(O)O)N	EA2	aminoethanolpyrophosphate
+c1c(c(cc(c1S(=O)(=O)N)Cl)SC2CCCCC2)C(=O)NCCO	EA3	4-chloranyl-2-cyclohexylsulfanyl-~{n}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
+CCOC(=O)CNC(=O)NCc1ccc(cc1)N	EA4	ethyl n-[(4-aminobenzyl)carbamoyl]glycinate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@H](CCC(=O)O)N)O	EA5	(4s)-4-amino-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
+CC1(N=C(N=C(N1OCCCOc2ccc(cc2Cl)F)N)N)C	EA6	1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
+C[C@@H]1C(=O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)CC#C	EA7	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+CCCOc1ccc(cc1OC)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O	EA9	(4r)-3-(2-hydroxyphenyl)-4-(3-methoxy-4-propoxy-phenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O	EAA	ethacrynic acid
+c1cc(cc(c1)/N=N/c2cccc(c2)CN)CC(=O)O	EAB	(3-{(e)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid
+CCOC(=O)CC(=O)C	EAC	ethyl 3-oxobutanoate
+CCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	EAD	{(2r,3s,4r,5r)-5-[(4s)-3-(aminocarbonyl)-4-(2-ethylisonicotinoyl)pyridin-1(4h)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}methyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCN\1c2cc(ccc2S/C1=C\C(=O)C)OC	EAE	(1~{z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
+CCOc1ccc(cc1)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O	EAF	(4r)-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN)CO)O)O	EAG	2-aminoethyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
+CCCCC\C=C/C\C=C/C=C/C=CC[C@H](CCCC(=O)O)O	EAH	(5s,7e,9e,11z,14z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid
+COc1ccccc1c2cccc(c2)C(=O)O	EAJ	3-(2-methoxyphenyl)benzoic acid
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O	EAL	1-((2s)-2-{[(1s)-1-carboxy-3-phenylpropyl]amino}propanoyl)-l-proline
+CCNC(=O)C[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C	EAM	2-[(4s)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-n-ethylacetamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)OP(=O)(O)O)O	EAN	[(1~{s},2~{r},4~{r},6~{s},8~{r})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate
+CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C(=O)C	EAO	3-(3,4-dihydroxy-5-nitrobenzylidene)pentane-2,4-dione
+C(=COP(=O)(O)O)N	EAP	2-amino-vinyl-phosphate
+CC(C)(C)c1ccc(cn1)C(=O)NC2=C[N]3=C(N2)C=CC(=C3)c4c[nH]nc4	EAQ	6-~{tert}-butyl-~{n}-[6-(1~{h}-pyrazol-4-yl)-1~{h}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide
+CCOC(=O)CN1c2nc(cn2C(=O)C=C1C)c3ccc(cc3)Cl	EAR	ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate
+c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N	EAS	5-chloro-n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide
+C[C@H]1[C@H]([C@H]([C@@H](N1)c2[nH]c3ccccc3n2)O)O	EAT	(2s,3s,4r,5s)-2-(1h-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2ccco2)N3CCCCCC3)N	EAU	3-azanyl-5-(azepan-1-yl)-n-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide
+Cc1ccc2c(c1)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N	EAV	n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-6-methyl-l-tryptophanamide
+c1ccc(c(c1)NS(=O)(=O)N2CCCC2)Br	EAW	n-(2-bromophenyl)pyrrolidine-1-sulfonamide
+C([C@H]([C@H](C(=O)O)O)O)O	EAX	(2r,3r)-2,3,4-trihydroxybutanoic acid
+[H]/N=C\1/[C@@H](OC=CC=C1C(=O)O)O	EAY	(2r,3e)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid
+Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OC[C@H](CC(C)C)N	EAZ	(2~{s})-4-methyl-1-[5-(3-methyl-2~{h}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)Nc4ccc(cc4)F	EB0	1-ethyl-n-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+CCC(CC)(C=C\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O	EB1	seocalcitol
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCCC4	EB2	n-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCC4	EB3	n-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O	EB4	n,n',n''-[(3s,7s,11s)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)
+CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC	EB5	n,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
+COc1ccc(c(c1)O)C#CC(=O)Oc2ccc(cc2)C[C@@H](C(=O)OC)Nc3ccccc3C(=O)c4ccccc4	EB6	methyl (2~{s})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate
+CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F	EB7	2-chloro-n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide
+CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4C(=O)OC	EB8	methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate
+CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4	EB9	n-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide
+Cc1ccc2c(c1C)N=C(NC2=O)CSc3ncccn3	EBB	7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{h}-quinazolin-4-one
+C(CNC(=O)CI)NC(=O)CI	EBC	n,n'-ethane-1,2-diylbis(2-iodoacetamide)
+Cc1cnc(nc1Nc2cc([nH]n2)C3CC3)Nc4ccc(cc4)CC#N	EBD	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl}amino)phenyl]acetonitrile
+Cc1ncc(cn1)c2ccc(cc2)[C@@H](c3ccccc3F)C(=O)NO	EBE	(2~{s})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{n}-oxidanyl-ethanamide
+COc1ccc2c(c1)OC(=O)C=C2	EBF	7-methoxychromen-2-one
+C1[C@@H](O1)CCO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	EBG	2-[(2s)-oxiran-2-yl]ethyl alpha-d-glucopyranoside
+C[C@@H](CBr)O	EBH	(2s)-1-bromopropan-2-ol
+C[C@]1(CCCN1c2nc(c3cccn3n2)Nc4cc(n[nH]4)C5CC5)C(=O)Nc6ccc(nc6)F	EBI	1-{4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-n-(6-fluoropyridin-3-yl)-2-methyl-l-proli namide
+c1c([nH]nn1)S	EBJ	1h-1,2,3-triazole-5-thiol
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCN(CC4)C)Cl	EBK	2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{n}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
+CC(C)NC(=O)c1ccccc1I	EBM	2-iodo-n-(1-methylethyl)benzamide
+[H]/N=C(\N)/NC1CCC(CC1)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)Cc2ccc(c(c2)Cl)Cl	EBN	(s)-6-amino-n-((s)-6-amino-1-(((1r,4s)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide
+Cc1c(c(c(cn1)CP(=O)(O)O)/C=N/[C@@H](CCSCC[C@@H](C(=O)O)N)C(=O)O)O	EBO	(2~{s})-2-azanyl-4-[(3~{s})-3-[(~{e})-[2-methyl-3-oxidanyl-5-(phosphonomethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-butanoic acid
+CCOP(=O)(Cc1ccc(cc1)C)OCC	EBP	diethyl 4-methylbenzylphosphonate
+C[C@@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O	EBQ	(3s)-3-hydroxybutyl alpha-d-glucopyranoside
+CC1=C(/C(=C\N=C/Cc2ccc(cc2)O)/C(=CN1)COP(=O)(O)O)O	EBR	[(4z)-4-[[(z)-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1h-pyridin-3-yl]methyl dihydrogen phosphate
+CCN1c2ccc(cc2SC1=NN=C3N(c4ccc(cc4S3)S(=O)(=O)O)CC)S(=O)(=O)O	EBS	3-ethyl-2-[(2z)-2-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3h)-ylidene)hydrazino]-6-sulfo-3h-1,3-benzothiazol-1-ium
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](Cc1ccccc1)N)O	EBT	n-[(2r,3r)-3-amino-2-hydroxy-4-phenylbutanoyl]-l-leucine
+[H]/N=C(/N)\NCCC[C@H]1C(=O)N2CCC[C@@]2(CCCCn3cc(c4c3cccc4)C[C@@H](C(=O)N1)NC(=O)[C@H](Cc5ccccc5)N)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)O	EBU	pepide inhibtor
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N3C[C@H]4CN(C[C@H]4C3)Cc5c[nH]c6c5cc(cc6)Cl)N	EBV	(2s)-2-amino-1-[(3ar,6as)-5-[(5-chloro-1h-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1h)-yl]-3-(1h-indol-3-yl)propan-1-one
+C[N+](C)(CC=C)c1ccc(cc1)CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C	EBW	4-(5-{4-[dimethyl(prop-2-enyl)ammonio]phenyl}-3-oxopentyl)-n,n-dimethyl-n-prop-2-enylbenzenaminium
+CC[C@H](c1cc(co1)C(C)C)NC2=C(C(=O)C2=O)Nc3ccnc(c3O)C(=O)N(C)C	EBX	4-[[3,4-bis(oxidanylidene)-2-[[(1~{r})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{n},~{n}-dimethyl-3-oxidanyl-pyridine-2-carboxamide
+Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N	EBY	n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-5-methyl-l-tryptophanamide
+c1cc2c(cc(c(c2nc1)O)Cl)[N+](=O)[O-]	EC0	7-chloranyl-5-nitro-quinolin-8-ol
+c1ccc(cc1)[C@@H]2[C@H](N3C(=O)C=C(C(=C3S2)C4CC4)Cc5cccc6c5cccc6)C(=O)O	EC2	(2r,3r)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+c1cc2c(cc(c(c2nc1)O)CN3CCCC3=O)Cl	EC3	1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one
+c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N	EC4	6-chloro-n-{1-[(5-chloro-1h-indol-3-yl)methyl]piperidin-4-yl}-l-tryptophanamide
+c1ccc(cc1)C[C@@H](C(=O)O)N2C(=O)C=C(C(=C2SO)C3CC3)Cc4cccc5c4cccc5	EC5	(2r)-2-[5-cyclopropyl-6-(hydroxysulfanyl)-4-(naphthalen-1-ylmethyl)-2-oxopyridin-1(2h)-yl]-3-phenylpropanoic acid
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CC)O	EC6	n-hexanoyl-l-valyl-n~1~-[(4s,5s,6r)-5-hydroxy-2,6-dimethyloctan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide
+CC(C(=O)N(CC1CC1)CC(C)(C)C2CCN(CC2)C)NC	EC7	(s)-n-(cyclopropylmethyl)-n~2~-methyl-n-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide
+c1ccc(c(c1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)F)O	EC8	n-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2h)-yl)-2-hydroxybenzamide
+CC(=O)Nc1cc(c2cccc(c2n1)O)Nc3ccccn3	EC9	n-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide
+c1cc(c(c(c1)O)O)C(=O)NCc2cc(cc(c2)CNC(=O)c3cccc(c3O)O)CNC(=O)c4cccc(c4O)O	ECA	n,n',n''-[benzene-1,3,5-triyltris(methylene)]tris(2,3-dihydroxybenzamide)
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO	ECB	1,3-dihydroxypropan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+C(CC(=O)N)[C@@H](CO)N	ECC	(4s)-4-amino-5-hydroxypentanamide
+C1[C@H](NC(=[NH2+])N1)CCC(=O)O	ECD	(4r)-4-(2-carboxyethyl)imidazolidin-2-iminium
+C1CCC(=O)OCC1	ECE	caprolactone
+c1cn(cn1)c2cc(nc3c2cc(cc3O)F)N	ECF	2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
+C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC	ECG	3-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C	ECH	beta,beta-caroten-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5N=C(NC6=O)N)CO)S)OP(=O)(O)S)O)N	ECI	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphinic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C(=O)C(=C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)N	ECJ	(5r)-5-(6-amino-9h-purin-9-yl)-2-({[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}methyl)-4-oxo-4,5-dihydrofuran-3-yl trihydrogen diphosphate
+c1cc(ccc1CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl	ECL	1-[(2r)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cccc6c5n(cc6C(=O)O)C)c7c(nn(c7C)C)C)Cl	ECM	7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}-1-methyl-1h-indole-3-carboxylic acid
+c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl	ECN	1-[(2s)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole
+C[C@]12CC[C@@H]3c4ccc(cc4C(=NOCC(=O)O)C[C@H]3[C@@H]1CC[C@@H]2O)O	ECO	estradiol-6 carboxyl-methyl-oxime
+C/C(=C\COP(=O)(O)OP(=O)(O)O)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C	ECP	(2e)-3-methyl-5-[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
+C[C@H]([C@H](C[C@@H]1CCNC1=O)N)O	ECQ	(3s)-3-[(2s)-2-amino-3-hydroxybutyl]pyrrolidin-2-one
+c1cc(c2c(cc(nc2c1O)N)n3ccnc3)F	ECR	2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O	ECS	2,3,17beta-trihydroxy-1,3,5(10)-estratriene
+Cc1cc2c(c(c1OC)O)[C@@H]3[C@@H]4[C@H]5c6c(c7c(c(c6OC(=O)C)C)OCO7)[C@@H]([N@]4[C@H]([C@H](C2)[N@@]3C)O)COC(=O)[C@@]8(CS5)c9cc(c(cc9CCN8)O)OC	ECT	ecteinascidin 743
+c1cc(c(c2c1c(cc(n2)N)n3ccnc3)O)Br	ECU	2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol
+CNC(=O)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F	ECV	2-[(3~{s})-7-fluoranyl-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{n}-methyl-ethanamide
+CCSC[C@@H](C(=O)O)N	ECX	s-ethyl-l-cysteine
+Cc1cc(cc(c1Cl)C)OCCCc2c3cccc(c3n4c2C(=O)N(CCC4)Cc5cccc(c5)C(=O)O)c6c(nn(c6C)C)C	ECY	3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1h-pyrazol-4-yl)-4,5-dihydro-1h-[1,4]diazepino[1,2-a]indol-2(3h)-yl}methyl)benzoic acid
+COc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F	ECZ	8-methoxy-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one
+CC(C)(C)OC(=O)N1CCC(CC1)C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4ccccc4c5cccc(c5)CCC(=O)O	ED1	3-{2'-[{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)sulfamoyl]biphenyl-3-yl}propanoic acid
+Cn1cc(nc1)S(=O)(=O)[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4	ED2	n-benzyl-n-(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1h-imidazole-4-sulfonamide
+Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3ccccc3Cl)C(=O)c4c(nn(c4O)C)C	ED3	3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione
+CC(C)(C)OC(=O)N1CCC(CC1)C[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4cn(cn4)C	ED4	tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)[(1-methyl-1h-imidazol-4-yl)sulfonyl]amino}methyl)piperidine-1-carboxylate
+Cc1ccccc1S(=O)(=O)[N@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)CC4CCN(CC4)C(=O)OC(C)(C)C	ED5	tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)[(2-methylphenyl)sulfonyl]amino}methyl)piperidine-1-carboxylate
+Cc1ccccc1S(=O)(=O)[N@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4	ED7	n-benzyl-n-(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide
+CN1CCC(CC1)Oc2ccc3c(c2)n(cn3)c4cc(c(s4)C(=O)N)OCc5ccccc5C(F)(F)F	ED8	5-{6-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)O)OCCCO)O)C	ED9	(1r,2r,3r,5z,7e,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
+c1cn2cnc3c(c2n1)ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	EDA	3-[2-deoxy-ribofuranosyl]-3h-1,3,4,5a,8-pentaaza-as-indacene-5'-monophosphate
+c1cc(cc(c1)N2/C(=N/C(=O)Nc3cccc(c3Cl)Cl)/C=C(N2)c4cccs4)CC(=O)N	EDB	2-{3-[(5e)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1h-pyrazol-1-yl]phenyl}acetamide
+c1cn2c(n1)C=CN(C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	EDC	n3,n4-etheno-2'-deoxycytidine-5'-monophosphate
+CC(C)(C)C1=CC(=NC(=O)Nc2cccc(c2Cl)Cl)N(N1)c3cccc(c3)CC(=O)N	EDD	2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1h-pyrazol-1-yl)phenyl]acetamide
+[H]/N=C(\CCCCNCCCNC(=O)CNC(=O)C[C@H]([C@H](CCC[C@H](C(=O)O)NC(=O)[C@H](CN)NC(=O)[C@H](CNC(=O)C[C@@H](c1ccc(cc1)O)N)O)N)O)/N	EDE	edeine b
+C[C@@H]1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4ccccc4)C	EDF	(3~{r})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{h}-quinoxalin-2-one
+C1[C@@H]([C@H]([C@@H](N1)CO)O)O	EDG	1,4-dideoxy-1,4-imino-l-arabinitol
+CCCN\1c2ccccc2N/C1=N\C(=O)c3cccc(c3)C(=O)N	EDH	n~1~-(1-propyl-1,3-dihydro-2h-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CN(C2=O)CCI	EDI	2'-deoxy-1-(2-iodoethyl)inosine
+CNC(=O)c1ccccc1Oc2c(cnc(n2)Nc3cc(c(c(c3)OC)OC)OC)Br	EDJ	2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-n-methylbenzene-1-carboximidic acid
+CN(CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4	EDK	(2~{s})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid
+CN(C)c1cc(nc(n1)S(=O)(=O)C)C=C	EDM	6-ethenyl-n,n-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine
+C(CN)N	EDN	ethane-1,2-diamine
+C(CO)O	EDO	1,2-ethanediol
+CCC[C@@H](C)C1(C(=O)NC(=S)NC1=O)CC	EDP	5-ethyl-5-[(2r)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
+CC[N+](C)(C)c1cccc(c1)O	EDR	edrophonium ion
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CNCCO)N)N)NC(=O)[C@H](CCN)O)O	EDS	(2s)-4-amino-n-[(1r,2s,3s,4r,5s)-5-amino-4-{[(2s,3r)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2h-pyran-2-y l]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide
+C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O	EDT	{[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid
+C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O	EDU	2'-deoxy-5-ethynyluridine
+C[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#C)CO)O	EDV	1-(2-deoxy-2-methyl-beta-d-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1h,3h)-dione
+[H]/N=C(/N)\NCCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1	EDX	(2~{s})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid
+c1ccc(c(c1)CCO)NC(=O)Nc2cnns2	EDZ	1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea
+CCC[C@H](C(=O)O)N	EE0	(2~{r})-2-azanylpentanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C[C@H](C(=C5)C(=O)N)[C@H](CC(=O)O)C(=O)C(=O)O)O)O)O)OP(=O)(O)O)N	EE1	(3~{s})-3-[(4~{s})-3-aminocarbonyl-1-[(2~{r},3~{r},4~{s},5~{r})-5-[[[[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{h}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid
+c1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)O	EE2	(2r)-2-(3-hydroxy-3-oxopropyl)-6-[(e)-[(2s)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1c(ocn1)C(=O)NCCCC[C@@H](C(=O)O)N	EE3	(2~{s})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid
+CCCOc1ccc(c(c1C(=O)c2ccc(cc2)C(=O)N[C@@H]3CNC[C@H]3NC(=O)c4ccc5c(c4)cn[nH]5)F)OC	EE4	n-[(3r,4r)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1h-indazole-5-carboxamide
+CC#Cc1ccc2c(c1C)N=C(NC2=O)CSc3ccc(cc3)C(=O)O	EE5	4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{h}-quinazolin-2-yl)methylsulfanyl]benzoic acid
+CC(=CCc1cc(ccc1O)C=C2C(=C(C(=O)O2)c3ccc(c(c3)CC=C(C)C)O)O)C	EE6	3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one
+Cc1c(ccc2c1cc(n2CCN3CCN(CC3)C(=O)CF)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F	EE7	1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+CCOc1ccc(cc1Cl)NC(=O)C	EE8	~{n}-(3-chloranyl-4-ethoxy-phenyl)ethanamide
+C[C@@H]1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4cncc5c4cccc5)C	EE9	(3~{r})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{h}-quinoxalin-2-one
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	EEA	n-{3-[3-(3'-chlorobiphenyl-4-yl)isoxazol-5-yl]propanoyl}-l-alpha-glutamyl-l-alpha-glutamyl-amide
+CCC(C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	EEB	uridine-diphosphate-3(n-acetylglucosaminyl)butyric acid
+c1ccc(cc1)c2cc(on2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	EEC	n-[3-(3-phenylisoxazol-5-yl)propanoyl]-l-alpha-glutamyl-l-alpha-glutamyl-amide
+C[C@]12C[C@@H]([C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)COC	EED	(9beta,11alpha,13alpha,14beta,17alpha)-11-(methoxymethyl)estra-1(10),2,4-triene-3,17-diol
+CCOC(=O)C	EEE	ethyl acetate
+c1ccc(cc1)c2ccc(cc2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	EEF	n-(3-biphenyl-4-ylpropanoyl)-l-alpha-glutamyl-l-alpha-glutamyl-amide
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	EEG	n-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-l-alpha-glutamyl-l-alpha-glutamyl-amide
+Cc1c2ccccc2sc1CC(=O)NC3CCC(CC3)CC(=O)N4CCN(C(=O)[C@@H]4Cc5ccccc5)CC(=O)NC	EEH	n-[4-[2-[(2s)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide
+CC(=O)N1CCC[C@@H](C1)C[C@@H](c2cc(c(nn2)Cl)c3ccc(cc3)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	EEJ	methyl (4-{6-[(1s)-2-[(3r)-1-acetylpiperidin-3-yl]-1-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate
+c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl	EEK	~{n}-(3,4-dichlorophenyl)-~{n}'-oxidanyl-propanediamide
+C1C[C@@H](N(C1)C(=O)C(CS)CS)C(=O)O	EEL	(2r)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid
+C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	EEM	[(3s)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C(F)F)O)O)O	EEN	2-deoxy-2-[(difluoroacetyl)amino]-alpha-d-galactopyranose
+C[C@H](CS)C(=O)N1CCCCC[C@@H]1C(=O)O	EEO	(2r)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid
+C[C@@](C[C@@H](C(=O)O)N)(CO)O	EEP	(2s,4r)-2-amino-4,5-dihydroxy-4-methylpentanoic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)CF)O)O)O	EEQ	2-deoxy-2-[(fluoroacetyl)amino]-alpha-d-galactopyranose
+C[C@H](CS)C(=O)N1CCCC[C@@H]1C(=O)O	EER	(2r)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid
+c1cc(ccc1n2c(c3cc(ccc3n2)O)Cl)O	EES	3-chloro-2-(4-hydroxyphenyl)-2h-indazol-5-ol
+CCCCC[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O	EET	(5~{z},11~{z},14~{r},15~{r})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5cc(nc(c5)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)O)O	EEU	estradiol-pyridinium tetraacetic acid
+Cc1c(ccc2c1cc(n2C[C@@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F	EEV	4-methyl-1-{[(2s)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OC	EEW	[(3~{r},4~{r},5~{s})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid
+C[C@H](CS)C(=O)N1CCc2ccccc2[C@@H]1C(=O)O	EEX	(1r)-2-[(2s)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1h-isoquinoline-1-carboxylic acid
+c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl	EEY	2-chloro-5-nitro-n-(pyridin-4-yl)benzamide
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(c(nc2)O[C@@H](C)c3ccccc3)Cl	EEZ	~{n}-[5-chloranyl-6-[(1~{s})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide
+C[C@H](CS)C(=O)N1CCC(CC1)C(=O)O	EF0	1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid
+CC(C)[C@H](NC(=O)CCc1ccccc1)P(=O)(C[C@@H](CCCCCN)C(=O)O)O	EF1	(2s)-7-amino-2-{[(r)-hydroxy{(1r)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid
+c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O	EF2	s-thalidomide
+[H]/N=C/c1c2c(cc(n1)c3ccc(c(c3)C(F)(F)F)OCCCN4CCN(CC4)C)n(cn2)C	EF3	(e)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1h-imidazo[4,5-c]pyridin-4-yl)methanimine
+CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@H]([C@H]([C@@H](C/C=C/C=C1)C)O)C)C)O)C)C)O)C)C	EF4	oligomycin c
+CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3)c4ccccc4	EF5	2-(4-ethylsulfonylphenyl)-~{n}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide
+c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl	EF6	n~1~-(3-chloro-1h-indol-7-yl)benzene-1,4-disulfonamide
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OCCCCCCN=[N+]=N	EF8	6-[[(3~{r},4~{r},5~{s})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium
+C[C@H](CS)C(=O)N1CCC[C@@H](C1)C(=O)O	EF9	(3s)-1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid
+C#Cc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O)N	EFA	5'-deoxy-2-ethynyl-5'-fluoroadenosine
+CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)C(=O)C[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C	EFB	oligomycin b
+C(CSSC[C@@H](C(=O)O)N)F	EFC	s,s-(2-fluoroethyl)thiocysteine
+Cc1cccc(c1C(=O)N2CCC[C@@H]([C@@H]2c3ccc(cc3)NC4CCCC4)C(=O)Nc5ccc(c(c5)C(F)(F)F)C)F	EFD	avacopan
+C[N@+]12[C@@H]3CS[C@H]1[C@@H]4CSC5=[N+]4[Fe@]2(Oc6c5cccc6)OC3=O	EFE	enantio-pyochelin fe(iii)
+C[C@H](CS)C(=O)N1CCC(CC1)C(=O)N	EFF	1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide
+c1cn-2c(n1)NC(=O)c3c2n(cn3)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F	EFG	1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-1h-imidazo[2,1-b]purin-4(5h)-one
+O[Mo]=O	EFK	oxidanyl(oxidanylidene)molybdenum
+CC1(C(=O)Nc2ccc(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)C	EFL	5-bromo-n-(2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide
+CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)OC)C	EFM	5-bromo-2-methoxy-n-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)benzene-1-sulfonamide
+CC1(C(=O)Nc2cc(c(cc2O1)NS(=O)(=O)c3cc(ccc3OC)Br)O)C	EFN	5-bromo-n-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide
+CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C	EFO	oligomycin a
+CC(=O)NC1CC(C1)n2cc(nc2)NC(=O)Cc3ccc(cc3)OC	EFP	n-{1-[cis-3-(acetylamino)cyclobutyl]-1h-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide
+COc1ccc(cc1)CC(=O)Nc2cn(cn2)C3CC(C3)O	EFQ	n-[1-(cis-3-hydroxycyclobutyl)-1h-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide
+C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)N	EFR	2-[1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide
+CCOP(=O)(O)O	EFS	ethyl dihydrogen phosphate
+c1cc2c(cc1O)[nH]nc2[C@@H](CC3CCCCC3)C#N	EFT	(2r)-3-cyclohexyl-2-(6-hydroxy-1h-indazol-3-yl)propanenitrile
+Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccccc4	EFU	n-benzyl-6-hydroxy-n-methyl-3-(3-methylbenzyl)-1h-indazole-5-carboxamide
+COc1cc(cnc1OC)c2ccc3c(n2)CN(C3=O)c4cnn(c4)CC#N	EFV	{4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-1h-pyrazol-1-yl}acetonitrile
+c1cc(ncc1C(=O)N)N[C@@H]2CC[C@H](C2)O	EFW	6-{[(1r,3r)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide
+COC(=O)c1cccc(c1)c2cccc(c2)C(=O)O	EFX	3-(3-methoxycarbonylphenyl)benzoic acid
+CC(C)(C)c1cccc(c1)C(=O)NCC2(CCCC2)NC(=O)c3cccc4c3con4	EFY	n-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
+c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F	EFZ	(-)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-2h-3,1-benzoxazin-2-one
+C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)O	EG0	2-[1-[(2s)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid
+c1cc(ccc1C(=O)NCCOCCOCCNC(=O)CN)S(=O)(=O)N	EG1	aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
+c1cc(ccc1C(=O)NCCOCCOCCN)S(=O)(=O)N	EG2	aminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
+c1ccc(cc1)C[C@@H](C(=O)NCCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N)N	EG3	phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)O)C=C6	EG5	(3~{s},7~{r},10~{r},13~{r})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NC(CO)C(=O)O	EG6	n-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-l-serine
+Cc1cc(n[nH]1)Nc2ccc(c(n2)C[C@]3(CCN([C@@H](C3)C)Cc4cccc(c4F)Cl)C(=O)O)F	EG7	(2r,4r)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid
+c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3	EG8	n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine
+CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	EGA	ethyl beta-d-galactopyranoside
+CC1(CC2=C([C@@H](NC(=S)N2)c3cccc(c3)O)C(=O)C1)C	EGB	(4s)-4-(3-hydroxyphenyl)-7,7-dimethyl-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1h)-one
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	EGC	2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-tetramethyl-butyl)-phenoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethox y}-ethoxy)-ethanol
+[H]/N=C(\N)/NCC	EGD	n-ethylguanidine
+c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3cc(c(cc3N)O)C(=O)O	EGE	4-azanyl-2-oxidanyl-5-[(~{e})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
+Cc1cc(no1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]2[C@@H](OCC/C=C/COC(=O)/C=C\[C@@H](NC2=O)C[C@@H]3CCNC3=O)c4ccccc4	EGF	~{n}-[(2~{s})-1-[[(2~{s},3~{s},6~{s},7~{z},12~{e})-4,9-bis(oxidanylidene)-6-[[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
+c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O	EGG	(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate
+COc1cc2c(c(c1OC)OC)[C@@H](CC(=O)N2)c3cc(ccc3F)Br	EGH	(4~{r})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{h}-quinolin-2-one
+C[C@H]1C[C@](CCN1Cc2cccc(c2F)Cl)(Cc3c4ccccc4cc(n3)Nc5nccs5)C(=O)O	EGJ	(2s,4r)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid
+C(CO)O	EGL	ethylene glycol
+CCc1ccc(cc1)C(=O)O	EGM	4-ethylbenzoic acid
+CCN1c2ccccc2C(=CC1=O)SCC(=O)N3CC[NH+](CC3)C4CCCCC4	EGN	4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one
+Cc1cnn(c1c2ccc(c(c2)F)Cl)c3ccc(c(c3)C(=O)O)OCc4ccccc4	EGO	5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid
+CN1CCN(CC1)Cc2cn(c3c2ccc(c3)NC(=S)NCCc4c[nH]c5c4cccc5)CC(=O)N6CCOCC6	EGP	n-[2-(1h-indol-3-yl)ethyl]-n'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1h-indol-6-yl}thiourea
+CCOC(=O)c1cc(c(c(c1)O)O)O	EGR	ethyl 3,4,5-trihydroxybenzoate
+c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O	EGT	2-(3,4,5-trihydroxy-phenyl)-chroman-3,5,7-triol
+CN(c1cc(c(cc1C(=O)O)F)Cl)C(=O)c2c(sc(n2)N3Cc4ccc(cc4C3)OC)Cl	EGU	4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid
+[H]/N=C(/N)\NC[C@H](CC(=O)C(=O)O)O	EGV	(4s)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid
+c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N3CCC(CC3)c4ccc(cc4)F	EGW	4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide
+c1ccc2c(c1)C(=O)c3cccc(c3C2=O)c4cnn(c4)C5CCNCC5	EGX	1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione
+CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C	EGY	(4r,7r)-4-hydroxy-n,n,n-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium
+C1[C@H](NC(=O)C2=C1O[C@@H]3[C@H](S2)[C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)O	EGZ	(3~{r},5~{r},6~{s},7~{s},8~{r},13~{s})-5-(hydroxymethyl)-7-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-11-oxidanylidene-2,4-dioxa-9-thia-12-azatricyclo[8.4.0.0^{3,8}]tetradec-1(10)-ene-13-carboxylic acid
+c1cc(ccc1CNC(=O)c2c(c(on2)c3cc(c(cc3O)O)Cl)c4cc(c(c(c4)F)OCCCC(=O)O)F)C(=O)O	EH0	4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid
+c1cc(ccc1C2CCCCC2)C(=O)O	EH1	4-cyclohexylbenzoic acid
+c1ccc(c(c1)/C=C/c2cccs2)C(=O)O	EH2	2-[(~{e})-2-thiophen-2-ylethenyl]benzoic acid
+CS(=O)(=O)N1CCC(CC1)Oc2ccc(cc2)c3c(onc3C(=O)NCC4CCC(CC4)C(=O)O)c5cc(c(cc5O)O)Cl	EH3	4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid
+COc1cc(cc(c1OCc2ccccc2)OC)C(=O)N[C@@H](Cc3ccccc3)[C@H](CN(CCC4CCC5C(C4)OCO5)C(=O)CCN6C(=O)c7ccccc7C6=O)O	EH5	n-(1-benzyl-3-{[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionyl]-[2-(hexahydro-benzo[1,3]dioxol-5-yl)-ethyl]-amino}-2-hydroxy-propyl)-4-benzyloxy-3,5-dimethoxy-benzamide
+c1ccc(cc1)c2c(cccc2Cl)Nc3ccccc3C(=O)O	EH6	2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid
+Cn1cnc(c1c2ccncc2)c3ccccc3	EH8	4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine
+CCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N	EH9	(2s,3r)-3-(6-amino-9h-purin-9-yl)nonan-2-ol
+CCCc1c2ccc(cc2ccc1OCCCOc3ccc4c(c3)ccn4CC(=O)O)C(=O)c5ccccc5	EHA	(5-{3-[(6-benzoyl-1-propyl-2-naphthyl)oxy]propoxy}-1h-indol-1-yl)acetic acid
+CCN\1c2cc(ccc2S/C1=C\C(=O)C)O	EHB	(1z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3h)-ylidene)propan-2-one
+c1ccc(c(c1)C(=O)O)Nc2cccc(c2c3ccc4c(c3)CCO4)Cl	EHC	2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid
+CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5ccccc5nc4C3=C2)O	EHD	4-ethyl-4-hydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione
+CC1=CC(=O)N(N=C1c2ccccc2)C3CCNCC3	EHE	5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one
+CC[C@](C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O	EHF	(2s)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]butanoic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2OCCO)N	EHG	9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-(2-hydroxyethoxy)-9h-purin-2-amine
+Cc1cc(cc(c1c2c(n(cn2)C)c3ccncc3)C)CN	EHH	[3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine
+CC1=CC(=O)N(N=C1c2ccncc2)C3CCNCC3	EHK	5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one
+Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-]	EHL	5-methyl-n-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
+C([C@H]([C@H](C(=O)NO)O)O)O	EHM	(2r,3r)-n,2,3,4-tetrahydroxybutanamide
+CC	EHN	ethane
+c1ccc(cc1)Nc2ccccc2C(=O)O	EHO	2-phenylazanylbenzoic acid
+c1cc(cc(c1)O)C[C@@H](C(=O)O)N	EHP	3-hydroxyphenylalanine
+Cc1c(c(on1)C)c2c(c[nH]n2)c3ccncc3	EHQ	3,5-dimethyl-4-(4-pyridin-4-yl-1~{h}-pyrazol-3-yl)-1,2-oxazole
+c1ccc(cc1)c2ccccc2Nc3ccccc3C(=O)O	EHR	2-[(2-phenylphenyl)amino]benzoic acid
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O	EHS	2s-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-[(2s)-2-[(2,3-dihydroxyphenyl)carbonylamino]-3-hydroxy-propanoyl]oxy-propanoic acid
+Cc1c(c(on1)C)c2c(n(cn2)C)c3ccncc3	EHT	3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole
+CNc1ccc(c(c1Cl)c2ccccc2)Nc3ccccc3C(=O)O	EHU	2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid
+Cc1cccc(c1C(=O)C[C@@H](C(=O)O)O)Br	EHV	(2s)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid
+Cc1c(c(on1)C)c2c(n(cn2)C)c3ccnc4c3ccc(c4)F	EHW	4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole
+c1ccc2c(c1)C3=CC=CC[C@@]3(N2)OO	EHX	(9ar)-9a-(dioxidanyl)-1,9-dihydrocarbazole
+c1ccc(cc1)CCNC(=S)Nc2cccnc2	EHY	n-(2-phenylethyl)-n'-pyridin-3-ylthiourea
+CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)O	EHZ	~{s}-[2-[3-[[(2~{r})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{s})-3-oxidanyltetradecanethioate
+CCc1c2cc(ccc2nn1c3ccc(cc3)O)O	EI1	3-ethyl-2-(4-hydroxyphenyl)-2h-indazol-5-ol
+Cc1ccc(nc1)c2ccc(cn2)C	EI3	5-methyl-2-(5-methylpyridin-2-yl)pyridine
+C1CNCC2=C1C(=O)NO2	EI7	4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
+c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccc(cc2)C#N)c3ccc4c(c3)C(=O)NC=C4	EI8	3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride
+c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccncc2)c3ccc4c(c3)C(=O)NC=C4	EI9	3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride
+CCCCC\C=C/C\C=C/CCCCCCCC(=O)O	EIC	linoleic acid
+CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)N=[N+]=[N-]	EIE	ethyl 8-[(azanylidene-$l^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{h}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC	EIJ	(2s)-1-{[(s)-hydroxy{[(1s,2r,3r,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5e,8e,11e,14e)-icosa-5,8,11,14-tetraenoate
+C[C@H](CCCC(C)(C)O)[C@H]1C[C@@H]([C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OC	EIM	(1r,3s,5z)-5-[(2e)-2-[(1r,3s,3as,7ar)-1-[(2r)-6-hydroxy-6-methyl-heptan-2-yl]-3-methoxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O	EIN	(1s)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid
+C[C@@H]1COCCN1c2cc(nc(n2)SC)C3(CC3)[S+](=N)(=N)=O	EIO	(3r)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine
+C[C@@H](CCO[P@](=O)(O)OP(=O)(O)O)CO	EIP	4-hydroxy-3-methyl butyl diphosphate
+CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O	EIS	n-{(2s,3r,4e)-3-hydroxy-1-[(3-o-sulfo-beta-d-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCn3ccnc3	EIT	((3r,4r,5r)-4-(2-(1h-imidazol-1-yl)ethoxy)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-tetrahydrofuran-2-yl)methyl dihydrogen phosphate
+Cn1cncc1[N+](=O)[O-]	EIV	1-methyl-5-nitro-1h-imidazole
+[H]/N=C(\N)/NCCC\C(=N/C=C\1/C(=CNC(=C1O)C)COP(=O)(O)O)\C(=O)O	EJ1	(2e)-5-carbamimidamido-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}pentanoic acid
+[H+]([Fe](C#N)(C#N)C#[O+])[Ni]	EJ2	ni-fe reduced active center
+c1ccc2c(c1)c3c([nH]2)[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8	EJ4	(4bs,8r,8as,14br)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9h)-diol
+c1cc(ccc1CCCC2=C(N=C(NC2=O)N)O)C(=O)O	EJ5	4-[3-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)propyl]benzoic acid
+Cc1ccc(c(c1C)[C@@H](C)[C@@H](C2=NNC(=O)O2)NS(=O)(=O)c3ccc(c4c3OCCN4C)Cl)F	EJ6	5-chloro-n-((1s,2r)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2h-benzo[b][1,4]oxazine-8-sulfonamide
+C[C@]1([C@H]2C[C@H]2OC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OC	EJ7	n-{3-[(1r,5s,6r)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide
+c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)CSCP(=O)(O)O)P(=O)(O)O	EJ8	[(2~{r},4~{a}~{r},6~{r},7~{a}~{r})-6-[2,4-bis(oxidanylidene)-5-(phosphonomethylsulfanylmethyl)pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{h}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
+Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)CCCO4)C	EJ9	(2s)-2-[2-(3,4-dihydro-2h-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+C([C@@H](C(=O)O)N)S/C(=N\O)/CC(=O)O	EJA	s-[(1z)-2-carboxy-n-hydroxyethanimidoyl]-l-cysteine
+CCc1c(cccn1)CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O	EJB	7-[5-s-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CCCOc1ccc2c(c1)cc[nH]2	EJC	5-propoxy-1h-indole
+c1cc(ccc1c2ccsc2)C(=O)O	EJD	4-(thiophen-3-yl)benzoic acid
+Cc1cc(cc(c1c2c(n(cn2)C)c3ccnc4c3ccc(c4)F)C)CN	EJE	[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2cc3ccccc3[nH]2	EJF	n-[(2s)-3-methyl-1-[[(2s)-4-methyl-1-oxidanylidene-1-[[(2s)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1h-indole-2-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@H](P(=O)(O)O)Cl)O)O	EJH	[(~{s})-chloranyl-[[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphonic acid
+c1cc(c(cc1c2c(c(c(c(c2F)F)C#N)F)F)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	EJK	4-[3-chloranyl-4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile
+CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CC(=O)CCCC(=O)O	EJL	(9z,12z,15z,18z,21z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid
+c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	EJN	(2~{r},3~{s},4~{s},5~{s},6~{r})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol
+CCN(CC)c1ccc2c(c1)OC(=O)C=C2	EJO	7-(diethylamino)chromen-2-one
+CN1c2ccc(cc2OC[C@@H](C1=O)N3CCc4c(nn(c4Cl)Cc5ccccc5)C3=O)C#N	EJP	(3s)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6h-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile
+c1cc(ccc1NC(=O)CN2CCCC2)F	EJQ	~{n}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide
+Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(ccc5c4CCO5)F	EJR	n-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+C[C@H]1[C@H]([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3nc(no3)COC)F)C(=O)Nc4ccc5c(c4)c[nH]n5	EJS	(4r,5r,6s)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-n-(2h-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide
+c1c(cc(cc1C(=O)NCCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)NCCCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CN=[N+]=[N-]	EJT	1,3-di(n-propyloxy-a-mannopyranosyl)-carbomyl 5-methyazido-benzene
+CN(C)Cc1ccc(cc1)c2ccc(n3c2nnc3)NCc4ccccc4OC	EJU	8-[4-[(dimethylamino)methyl]phenyl]-n-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
+CCCCCCCc1ccc(cc1)C(=O)O	EJV	4-heptylbenzoic acid
+c1ccc(cc1)c2cc(on2)C[NH3+]	EJW	(3-phenyl-1,2-oxazol-5-yl)methylazanium
+c1ccc(cc1)Cc2[nH]c3ccc(cc3n2)[N+](=O)[O-]	EJY	2-benzyl-5-nitro-1h-benzimidazole
+C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-]	EJZ	5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(ccc1c2c3c([nH]n2)CCCC3)Cl	EK0	3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1h-indazole
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C[C@@H](Cc4ccccc4)C(=O)O	EK1	(2r)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid
+c1c(cc(cc1Cl)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N4CCOCC4	EK2	{4-[4-(3,5-dichlorophenyl)-1h-pyrazol-5-yl]-1h-pyrrol-2-yl}(morpholin-4-yl)methanone
+c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)NC4CCCCC4)F	EK3	n-cyclohexyl-4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridin-2-amine
+c1ccc(cc1)[C@@H](CO)NC(=O)c2cc(c[nH]2)c3c(cn[nH]3)c4cccc(c4)C(F)(F)F	EK4	n-[(1s)-2-hydroxy-1-phenylethyl]-4-{4-[3-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}-1h-pyrrole-2-carboxamide
+c1cc(cc(c1)Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)NCc4ccc5c(c4)CCO5	EK5	4-[4-(3-chlorophenyl)-1h-pyrazol-5-yl]-n-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1h-pyrrole-2-carboxamide
+CCOC(=O)CNCc1ccc(cc1Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N[C@H](CO)c4ccc(c(c4)Cl)F	EK6	ethyl n-{2-chloro-4-[5-(5-{[(1s)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]carbamoyl}-1h-pyrrol-3-yl)-1h-pyrazol-4-yl]benzyl}glycinate
+CN(C)c1c-2c(c(s1)C#N)CCc3c2nc(nc3)Nc4cccc(c4)O	EK7	9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)N3CCCCC3)C[C@@H](Cc4ccccc4)C(=O)O	EK8	(2r)-2-benzyl-3-[3-({[4-(piperidin-1-yl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid
+Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)c4ccccc4	EK9	n-[(1s)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1h-pyrrole-2-carboxamide
+C1CCC(CC1)N(C(=O)C(=O)O)O	EKA	[cyclohexyl(hydroxy)amino](oxo)acetic acid
+CCc1c(c(nc(n1)N)N)C#CCc2cc(c(c(c2)OC)OC)OC	EKB	6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
+C1CCC(CC1)NC(=O)C(=O)O	EKD	(cyclohexylamino)(oxo)acetic acid
+C[C@H]([C@H](CCC(=O)O)N)O	EKE	(4s,5r)-4-amino-5-hydroxyhexanoic acid
+CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5	EKF	n-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O	EKG	(2r)-2,3-dihydroxypropyl hexadecanoate
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Cl	EKH	 5-chlorotubercidin
+C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOC	EKJ	4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Br	EKK	5-bromotubercidin
+CCn1c2ccc(cc2c3c1ccc(c3)OC4CCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC	EKL	6-cyclobutyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
+C[n+]1ccc(c2c1cccc2)/C=C/Cc3[n+](c4ccccc4s3)C	EKM	1-methyl-4-[(1e)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium
+C(CN[C@@H](CC(=O)O)C(=O)O)N	EKN	(2~{s})-2-(2-azanylethylamino)butanedioic acid
+c1cc(ccc1CO[C@H](Cc2c[nH]cn2)c3ccc(cc3Cl)Cl)Cl	EKO	4-[(2r)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole
+Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3cccc(c3)C4CC4)Cc5ccc(cc5)C(C)(C)C(=O)O)C	EKP	2-{4-[(5-{[(1r)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1h-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid
+C(CN[C@@H](CC(=O)O)C(=O)O)N[C@@H](CC(=O)O)C(=O)O	EKQ	(2~{s})-2-[2-[[(2~{s})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]butanedioic acid
+CN(C)Cc1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4OCC5	EKR	n-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)C(C)(C)C)Cc4cccc(c4)OC(C)(C)C(=O)O)C	EKS	2-{3-[(5-{[(1s)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1h-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid
+CC(C)CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)C1(C)C)C	EKT	2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one
+c1cc(c2c(c1O)C(=O)c3c(cc(cc3O2)O)O)O	EKU	1,3,5,8-tetrakis(oxidanyl)xanthen-9-one
+CCN(CC#CC#CC(C)(C)OC)Cc1cccc(c1)OC[Si](C)(C)c2ccccc2C	EKV	n-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-n-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine
+C[C@H](CS)C(=O)N1CCc2ccccc2[C@H]1C(=O)O	EKX	(1s)-2-[(2s)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1h-isoquinoline-1-carboxylic acid
+CC(C)(C)c1ccc(c(c1)O)O	EKZ	4-tert-butylbenzene-1,2-diol
+Cc1c2cc[nH+]cc2c(c3c1[nH]c4c3cccc4)C	EL	ellipticine
+CNC(=O)c1ccc(cc1O[C@@H]2CCN(C2)C(=O)c3ccc(s3)Br)c4ccccc4NS(=O)(=O)C	EL1	3-({(3r)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-n-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide
+CNC(=O)c1ccc2c(c1)nc(n2[C@@H]3CCC[C@@H](C3)NC(=O)c4ccc(s4)Br)c5ccccn5	EL2	1-[(1r,3s)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-n-methyl-2-(pyridin-2-yl)-1h-benzimidazole-5-carboxamide
+C[C@H]1CCC2=C(C([C@H]3CC[C@@]12C3)(C)C)C	EL3	(3s,3ar,6s)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1h-3a,6-methanoazulene
+C/C=C/1\[C@@H](C(=O)N\C1=C/C2=N/C(=C\c3c(c(c([nH]3)/C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C	EL5	biliverdin
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCCCC	EL6	[(2s)-2-octadecanoyloxypropyl] octadecanoate
+CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	EL7	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]heptadecanamide (non-preferred name)
+C[C@H](CCCCC(=O)NO)NC1=C(C(=O)C1=O)Nc2ccc(cc2)OC(F)(F)F	EL8	(6~{r})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{n}-oxidanyl-heptanamide
+CN1C=CN2[C]1[Pt]3(c4cc(cc(c4C5=[N]3C=CC=C5)F)F)[N]6=C2C=CC=C6	EL9	cyclometalated-carbene platinum(ii) complex
+CCCCCCCC\C=C\CCCCCCCC(=O)O	ELA	9-octadecenoic acid
+c1cc(c2c(c1)N(C(=O)N2)C3CCN(CC3)C(=O)Nc4ccc(cc4)I)N	ELB	4-(4-azanyl-2-oxidanylidene-3~{h}-benzimidazol-1-yl)-~{n}-(4-iodophenyl)piperidine-1-carboxamide
+CCCCCCCCC=CCCCCCCCC(=O)N	ELD	(9e)-octadec-9-enamide
+C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O	ELE	2-keto 3 deoxy 6 phospho gluconate
+C1C[C@H](C(=O)NC1)C[C@@H](C=O)N	ELF	(2s)-2-azanyl-3-[(3s)-2-oxidanylidenepiperidin-3-yl]propanal
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2cccc(c2)CCCCC)O)O	ELG	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(3-pentylphenyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2h-pyran-2-yl]oxy}octanamide
+c1ccc2c(c1)cccc2c3nc(cs3)C(=O)O	ELH	2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid
+CC1=C(C(=O)c2ccccc2C1=O)CCCCCC(=O)O	ELI	6-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hexanoic acid
+Cc1ccc(cc1)C(C)C.c1ccc(cc1)NC2=[S][Os]([N]3=C2C=CC=C3)Cl	ELJ	chlorido(eta-6-p-cymene)(n-phenyl-2-pyridinecarbothioamide)osmium(ii)
+Cc1ccc(cc1OC)NC(=O)N2CCC(CC2)N3c4cccc(c4NC3=O)OC	ELK	~{n}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{h}-benzimidazol-1-yl)piperidine-1-carboxamide
+C1CNC(=O)[C@@H]1C[C@@H](C=O)N	ELL	(2s)-2-azanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propanal
+CCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	ELM	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetra hydro-2h-pyran-2-yl]oxy}octan-2-yl]dodecanamide
+c1cc(ccc1NC(=O)CC#N)Cl	ELN	~{n}-(4-chlorophenyl)-2-cyano-ethanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@](C)(c2ccccc2)P(=O)(O)O)O	ELP	(1r)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]-1-phenylethylphosphonic acid
+CN1CCN(CC1)C(=O)c2ccc(c(c2)F)F	ELQ	[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone
+C[C@@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O	ELR	phosphono [(3~{s},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2ccc(cc2)CCCCC)O)O	ELS	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetr ahydro-2h-pyran-2-yl]oxy}octan-2-yl]hexacosanamide
+CCOP(=O)(N(C)C)O	ELT	ethoxy-~{n},~{n}-dimethyl-phosphonamidic acid
+C[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O	ELU	phosphono [(3~{r},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
+CC(C)[C@@H](CO)N1C=C(C(=O)c2c1cc(c(c2)Cc3cccc(c3F)Cl)OC)C(=O)O	ELV	6-(3-chloro-2-fluorobenzyl)-1-[(1s)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+CN1C=C[C@](C1=O)(C#Cc2ccnc(c2)n3c4ccc(cc4c(n3)C(=O)N)F)O	ELW	5-fluoranyl-1-[4-[2-[(3~{r})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C	ELX	(2~{e},6~{e},10~{e})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
+CCN(CC)CCCC[C@@H](C(=O)O)N	ELY	n~6~,n~6~-diethyl-l-lysine
+CN1CC[C@](C1=O)(C#Cc2ccc3c(c2)-c4nc(c(n4CCO3)C(=O)NC5CCOCC5)C(=O)N)O	ELZ	10-[2-[(3~{r})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{n}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nn4)c5cccc(c5)N)C	EM1	(3as,4r,7s,9r,10r,11r,13r,15r,15ar)-1-{4-[4-(3-aminophenyl)-1h-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+C#Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O	EM2	(6-ethynyl-4-methanoyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	EM4	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]hexacosanamide
+c1c(c(cc(c1S(=O)(=O)N)Cl)NC2CCCCC2)C(=O)NCCO	EM5	4-chloranyl-2-(cyclohexylamino)-~{n}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
+CCC1=C(N=C2C(=CNN2C1=O)C#N)C	EM6	6-ethyl-5-methyl-7-oxidanylidene-1h-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CNC(=O)c1c(ncc(n1)c2cccc(c2)c3[nH]nnn3)N	EM7	3-amino-n-methyl-6-[3-(1h-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide
+C[C@H](CC(=O)O)c1cccc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F	EM8	(3~{r})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid
+CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4C[C@H]([C@@H]([C@]4(CC3)C)O)Cl)O	EM9	n-butyl-11-[(7alpha,9beta,13alpha,14beta,16alpha,17alpha)-16-chloro-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-n-methylundecanamide
+c1nc(c2c(n1)n(cn2)CCOC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N	EMA	(adenin-9-yl-ethoxymethyl)-hydroxyphosphinyl-diphosphate
+CCOC(=O)NC	EMB	methyl-carbamic acid ethyl ester
+CC[Hg+]	EMC	ethyl mercury ion
+C[C@@H]1C(=NNC(=O)S1)c2ccc3c(c2)CCCN3C(=O)c4ccc(c(c4)OC)OC	EMD	5-[1-(3,4-dimethoxy-benzoyl)-1,2,3,4-tetrahydro-quinolin-6-yl]-6-methyl-3,6-dihydro-[1,3,4]thiadiazin-2-one
+CN[C@@H](CCC(=O)O)C(=O)O	EME	n-methyl-l-glutamic acid
+CCOC(=O)[C@H]1C[C@@H]1c2ccc(c(c2)OC)O	EMF	ethyl (1s,2s)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate
+CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O	EMG	n-[(2s,3s,4r)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octan-2-yl]icosanamide
+CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C	EMH	9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5h-benzo[b]carbazole-3-carbonitrile
+CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O	EMJ	2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione
+CC[C@@H]1[C@@]([C@@H]([C@H]([N@](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N@](C)CCCc4cn(nn4)[C@H](CF)[C@@H](c5ccc(cc5)S(=O)(=O)C)O)O)(C)O)C)C)C)O)(C)O	EMK	(2r,3s,4r,5r,8r,10r,11r,12s,13s,14r)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-[(3,4,6-trideoxy-3-{[3-(1-{(1s,2r)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}-1h-1,2,3-triazol-4-yl)propyl](methyl)amino}-beta-d-xylo-hexopyranosyl)oxy]-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranoside
+CC[N@](Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO	EML	2-{ethyl[(5-{[6-methyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol
+CN(C=C)C(=O)O	EMM	[methyl(vinyl)amino]methanol
+C[C@H](COCCOC)COC[C@H](C)N	EMN	(2s)-1-{[(2s)-3-(2-methoxyethoxy)-2-methylpropyl]oxy}propan-2-amine
+Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O	EMO	3-methyl-1,6,8-trihydroxyanthraquinone
+CCN[C@H]1CO[C@H](C[C@@H]1OC)O	EMP	2,4-dideoxy-4-(ethylamino)-3-o-methyl-alpha-l-threo-pentopyranose
+CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c4ccccc4	EMQ	1-[2-(dimethylamino)ethyl]-3-{[(2r,4as,5r,10bs)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2h-pyrano[3,2-c]quinolin-2-yl]methyl}urea
+C1COCCN1CCN	EMR	n-aminoethylmorpholine
+[H]/N=C(\N)/NC\C=C\C(=N/C=C\1/C(=CNC(=C1O)C)COP(=O)(O)O)\C(=O)O	EMS	(2e,3e)-5-carbamimidamido-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}pent-3-enoic acid
+CC[Hg]Sc1ccccc1C(=O)O	EMT	2-(ethylmercuri-thio)-benzoic acid
+c1ccc(cc1)CNc2c3c([nH]cn3)ncn2	EMU	n-benzyl-9h-purin-6-amine
+CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(c1)OCc2cc(cs2)c3ccsc3	EMV	(2e)-n-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-n-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine
+Cc1cc(ccc1NC(=O)N2CCN([C@H](C2)C)c3c4cnn(c4nc(n3)N)C)OC	EMW	(3~{s})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{n}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide
+COC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	EMZ	6-o-methyl-beta-d-galactopyranose
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)/C(=C(\F)/P(=O)(O)O)/O)CCOP(=O)(O)OP(=O)(O)O	EN0	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(z)-2-fluoro-1-hydroxy-2-phosphonoethenyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+c1cc(ccc1/C=C(\C(=O)O)/O)O	EN1	(2e)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
+CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(cc2)F	EN2	~{n}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
+c1cc2cc(c1)OCC/C=C/CCOc3cccc(c3)CC(=O)Nc4nnc(s4)CCCCc5ccc(nn5)NC(=O)C2	EN3	(e)-15,22-dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione
+C1CCC(C1)N(C(=O)C(=O)O)O	EN4	[cyclopentyl(hydroxy)amino](oxo)acetic acid
+C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCN	EN5	n-(10-aminodecanoyl)-l-seryl-n-(2-cyclohexylethyl)-l-lysinamide
+Cc1c(c(n(n1)c2cccc3c2sc(c3)Cc4cccc(c4)C(F)(F)F)CO)C(=O)NCCO	EN6	n-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide
+C[C@@]1([C@](Oc2cc(ccc2O1)N)(C)OC)OC	EN8	(2~{r},3~{r})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine
+c1cc(ccc1S(=O)(=O)N(Cc2ccc(cc2F)c3ncon3)[C@H](CCC(F)(F)F)C(=O)N)Cl	EN9	(2r)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[n+]6c5[nH]cc6)O)O)O)O)C(=O)N	ENA	etheno-nad
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](c2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C	ENB	ethyl (2e,4s)-4-[((2r)-2-{[n-(tert-butoxycarbonyl)-l-valyl]amino}-2-phenylethanoyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+CC[N+]#C	ENC	ethyl isocyanide
+C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@@H]([C@H](O4)CO)O)O[C@H]3[C@@H]2O	END	1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-d-glycero-d-allo-d-gulo-heptadeca-2,13-dienitol
+C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@H]5[C@H](O4)C\C=C/[C@@H]([C@H](O5)CO)O)O[C@H]3[C@@H]2O	ENE	(4z)-2,8:7,12:11,15:14,18:17,22-pentaanhydro-4,5,6,9,10,13,19,20,21-nonadeoxy-d-arabino-d-allo-d-allo-docosa-4,9,20-trienitol
+CCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1	ENF	n-{(5e)-10-[(9e)-tetradec-9-enoylamino]dec-5-enoyl}-l-seryl-n-(2-cyclohexylethyl)-l-lysinamide
+c1cc(c(cc1O)Br)C(=O)C=C(C(=O)O)O	ENG	(2z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+CN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	ENH	1,7,8,9,10,10-hexachloro-4-methyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione
+C1=C([C@H](C(=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)S)S(=O)(=O)O)C=S	ENJ	(4s)-5-methanethioyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic s-acid
+c1ccc(cc1)c2nc(on2)CN	ENK	(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine
+C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O	ENL	(1r,2s,3r,4s)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
+C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)CCOCc5cc(cc(c5)F)F	ENM	(5s,8r,9s,10s,13r,14s,17s)-13-{2-[(3,5-difluorobenzyl)oxy]ethyl}-17-hydroxy-10-methylhexadecahydro-3h-cyclopenta[a]phenanthren-3-one
+CCCCNC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N	ENN	~{n}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide
+c1cc(ccc1CC(=O)C(=O)O)O	ENO	3-(4-hydroxy-phenyl)pyruvic acid
+c1cn2cnc3c(c2n1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)OP(=O)(O)O	ENP	etheno-nadp
+c1c[n+]2cnc3c(c2[nH]1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)O	ENQ	[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(9h-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate
+CCn1c2ccc(cc2c3c1ccc(c3)OC(C)C)C(=O)NCc4ccc(cc4)S(=O)(=O)CC	ENR	9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide
+COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)C#N	ENS	methyl (2z)-3-[(3-chloro-1h-indol-7-yl)amino]-2-cyano-3-{[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate 
+CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@@H]1C(=O)NC)NS(=O)(=O)O	ENT	3(r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester
+CCn1c2ccc(cc2c3c1ccc(c3)OC4CCCCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC	ENU	6-cyclohexyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCCC(=O)CF)O	ENV	(2r)-n-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide
+CC(C)(CO)[C@@H](C(=O)NCCC(=O)NCCOC(=O)CF)O	ENW	2-({n-[(2s)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate
+CC/C=C/[C@H]([C@H]([C@@H](CC(=O)[C@H]([C@@H]([C@H](C)/C(=C/C=C/C=C(\C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N	ENX	enacyloxin iia
+COc1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)\O	ENY	(2z)-2-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid
+CC1[C@H](C(=O)N(N1)c2ccccn2)c3ccccc3	ENZ	(4~{r})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one
+CCn1c2ccccc2c3c1ccc(c3)C(=O)NCc4ccc(cc4)S(=O)(=O)CC	EO0	9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5c6ccccc6n(n5)C)C	EO1	7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-n-(1-methyl-1h-indazol-3-yl)-9h-pyrimido[4,5-b]indol-4-amine
+CC(=C)C[C@@H](C(=O)O)N	EO2	4,5-dehydro-l-leucine
+CCCCCCCCCCCCCCCCCCCCCC(=O)O	EO3	docosanoic acid
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5cc(nn5C)C6CC6)C	EO4	n-(3-cyclopropyl-1-methyl-1h-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9h-pyrimido[4,5-b]indol-4-amine
+Cc1ccn2c1C(=O)N(C(=N2)[C@H](C)Nc3c4c(c[nH]c4ncn3)c5cc(cc(c5)O)NS(=O)(=O)C)c6ccccc6	EO5	~{n}-[3-[4-[[(1~{s})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{h}-pyrrolo[ 2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C#N	EO6	(1r,2s)-2-[(n-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)Cl)N	EO7	2-chloro-5'-o-sulfamoyladenosine
+c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])C(=O)O)C(=O)O	EO8	4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid
+[B-]([C@@H](C)NC(=O)c1c(cccc1F)F)(O)(O)O	EO9	[(1s)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron
+c1ccc(cc1)CCNC=O	EOA	n-phenethyl-formamide
+c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O	EOB	{1,3-phenylenebis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	EOC	(2~{s})-4-methyl-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide
+CCCCC[C@H]1[C@H](O1)CCCCCCCCCCC(=O)O	EOD	11-[(2r,3s)-3-pentyloxiran-2-yl]undecanoic acid
+C1C[C@H](NC1)CC(=O)O	EOE	beta3-proline
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	EOF	(2~{s})-4-methyl-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pentanamide
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl	EOG	1-(2-chlorophenyl)-n,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+CCO	EOH	ethanol
+C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S	EOI	[[(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-sulfanyl-phosphoryl] phosphono hydrogen phosphate
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7ccccc7Cl	EOJ	1-(2-chlorophenyl)-4-methyl-n-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+CC(=O)/N=C\1/NN([C@](S1)(C)c2ccccc2)C(=O)C	EOK	(~{n}~{z})-~{n}-[(5~{s})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide
+COc1cc(ccc1O)CC=C	EOL	2-methoxy-4-(prop-2-en-1-yl)phenol
+CCOC[O-]	EOM	ethyloxymethoxyl
+COc1ccccc1NC(=O)Nc2cc(ccc2O)S(=O)(=O)N	EON	1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
+COC(=O)N1CCCc2c1ccc(c2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O	EOO	(1~{s},6~{r})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{h}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
+C(CNC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O	EOP	{ethane-1,2-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
+c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl	EOQ	4-chloranyl-~{n}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide
+CC(C)(C)CNCCn1c2ccnc(c2nc1Sc3cc4c(cc3N(C)C)OCO4)N	EOR	2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4cc(ccc4Cl)OCC(C)C	EOS	1-[2-chloro-5-(2-methylpropoxy)phenyl]-n,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+c1cc(ccc1C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NCCO	EOT	[(1-[(bis-carboxymethyl-amino)-methyl]-2-{4-[3-(2-hydroxy-ethyl)-thioureido]-pheny}-ethyl)-carboxymethyl-amino]-acetic acid
+COC(=O)/C=C/C(=O)OC	EOU	dimethyl (~{e})-but-2-enedioate
+Cc1c(cnc(c1O)CCC#C)COP(=O)(O)O	EOW	(6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate
+CCO	EOX	ethyloxy group
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7cc(ccc7Cl)OCC(C)C	EOY	1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-n-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+c1c(cc(cc1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O	EOZ	3,5-bis[(phosphonoacetyl)amino]benzoic acid
+Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@H](O3)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C	EP	epothilone a
+CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)C[C@H](C(=O)OCC)O	EP0	n-[(3r)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-l-isoleucyl-l-proline
+C1CN(CCN1CCCS(=O)(=O)O)CCO	EP1	3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)NCC(=O)NCC(=O)OC)NC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)O	EP2	methyl n-[(2s)-4-{[(1s)-1-{[(2s)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-l-leucylglycylglycinate
+CN(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	EP4	5'-deoxy-5'-(dimethylamino)adenosine
+c1cc(ccc1C#N)N2CCN(CC2)C(=O)COc3ccc4c(c3)c(c[nH]4)CC[NH3+]	EP5	2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{h}-indol-3-yl]ethylazanium
+CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C4CC(C4)CCc5[nH]c6ccc(cc6n5)C(C)(C)C	EP6	5'-[{cis-3-[2-(5-tert-butyl-1h-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC	EP7	1-(2-chloro-5-methoxyphenyl)-4-methyl-n-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCc3c[nH]c4c3cccc4	EP8	5-[3-(1~{h}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)[C@@H](C=O)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	EP9	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s,3s)-3-hydroxy-1-(4-hydroxyphenyl)-4-oxobutan-2-yl]-l-leucinamide
+CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O	EPA	5,8,11,14,17-eicosapentaenoic acid
+Cc1nc(cs1)\C=C(/C)\[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)C	EPB	7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-methyl-2-(2-methyl-thiazol-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@H](C)P(=O)(O)O)O	EPC	(1s)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]ethylphosphonic acid
+Cc1nc(cs1)/C=C(\C)/[C@@H]2C/C=C(\CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)/C	EPD	epothilone d
+C1CN(CCN1CCO)CCS(=O)(=O)O	EPE	4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
+C1[C@@H](O1)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	EPG	(2r)-oxiran-2-ylmethyl alpha-d-glucopyranoside
+CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN	EPH	l-alpha-phosphatidyl-beta-oleoyl-gamma-palmitoyl-phosphatidylethanolamine
+CCC1CCNCC1	EPI	4-ethylpiperidine
+c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl	EPJ	epibatidine
+CCN1C(=O)c2c(c(cs2)c3cccnc3)N=C1NC(C)C	EPK	3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3h)-one
+CCOP(=O)(OCC)Oc1ccc(cc1)OC	EPL	diethyl 4-methoxyphenyl phosphate
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O	EPM	n-palmitoyl-l-methionine
+c1cc(ccc1[N+](=O)[O-])OCCCO	EPN	3-(4-nitro-phenoxy)-propan-1-ol
+[C@@H]1(C(O1)C(=O)O)C(=O)O	EPO	(2r,3r)-oxirane-2,3-dicarboxylic acid
+CN(C)C(=O)CC[C@@H](C(=O)CF)N	EPQ	(4s)-4-amino-6-fluoro-n,n-dimethyl-5-oxohexanamide
+C/C(=C\c1ccccc1)/C=C2C(=O)N(C(=S)S2)CC(=O)O	EPR	{5-[(2e)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
+C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O	EPS	5-[(1-carboxyvinyl)oxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
+CCCCCCCc1ccc(cc1)O	EPT	heptanyl-p-phenol
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O	EPU	uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid
+Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC(C)(C)C	EPV	1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-n-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
+CC(C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)O)C(=O)O	EPW	cystargolide b- bound form
+c1cc(ccc1[N+](=O)[O-])OC[C@H](CO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	EPY	1-hydroxy-2-s-glutathionyl-3-para-nitrophenoxy-propane
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	EPZ	(2r)-2-{[(2r,3r,4r,5s,6r)-3-(acetylamino)-2-{[(s)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}propanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([N]4=C(N(C=C4)P(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)N)O)O)O)N=C(NC2=O)N	EQ1	[2-azanyl-3-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]-[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]phosphinic acid
+CC(=O)c1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2	EQ2	1-ethanoyl-9~{h}-pyrido[3,4-b]indole-3-carboxylic acid
+CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C	EQ3	(3'r)-3'-hydroxy-beta,beta-caroten-4-one
+c1cn(c(n1)N)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	EQ4	5'-o-[(r)-(2-amino-1h-imidazol-1-yl)(hydroxy)phosphoryl]guanosine
+c1ccc2c(c1)ccn2CCC(=O)O	EQ5	3-indol-1-ylpropanoic acid
+CC(C)CC(=O)C1=C(Nc2c(ccc(c2C1=O)N(=O)=O)Cl)Nc3ccc(cc3Cl)Cl	EQ7	8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1h)-one
+c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)S(=O)(=O)C4CCCCC4)[NH+]=O)C(F)(F)F	EQ8	[2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium
+Cc1nc(no1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccnc(c4)N	EQ9	1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
+c1ccc(c(c1)C(=O)C=C(C(=O)O)O)F	EQA	(2z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid
+CC[C@H](C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)O)C(=O)O	EQB	(2~{s},3~{s})-3-methyl-2-[(1~{r})-2-[[(2~{s})-3-methyl-1-[[(2~{s})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid
+COc1ccc(cc1OC)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O	EQC	arctigenin
+c1ccc(cc1)Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)Cl	EQD	5-[2-(1-benzyl-1h-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol
+CC(C)[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)O)C(=O)O	EQE	(2~{s},3~{r})-4-[[(2~{s})-3-methyl-1-[[(2~{s})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid
+C[C@@H]1[C@@H](C(=O)N(C1=O)Nc2ccc(c(n2)Cl)C(F)(F)F)C	EQF	(3~{r},4~{s})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione
+[H]/N=C(/N)\NOCC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc2ccccc2)O)NC(=O)OCc3ccccc3	EQG	benzyl [(6s,7s,10s,13s,18z)-18-amino-10-cyclohexyl-6-hydroxy-18-imino-7-(2-methylpropyl)-4,9,12-trioxo-1-phenyl-16-oxa-3,8,11,17-tetraazaoctadecan-13-yl]carbamate
+c1csc(c1C2CC2)c3cnc(c(n3)C4CCC(CC4)C(=O)O)N	EQH	cis-4-[3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid
+C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CCC2=O)O	EQI	equilin
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	EQJ	(e)-n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-arginine
+c1cc(c2c(ccc3c2c1C(=O)NC3=O)C(=O)O)C(=O)O	EQL	1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid
+CC(C)(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc2ccccc2)O	EQM	methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[(4r)-5-[[(2s)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)(C)C)C	EQN	4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid
+CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3)C(=O)O)C#Cc4ccccc4)C	EQO	4-{(e)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid
+CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O	EQP	(1r)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-d-glycero-d-galacto-octitol
+c1c(c(cc2c1nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C#N)C#N	EQQ	ruthenium (bis-(tetraazaphenanthrene)) (11,12-dicyano-dipyridophenazine)
+c1ccc2c(c1)N(C3=NC(=O)C(=NN23)CCC(=O)O)CC(=O)O	EQR	3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C#N	EQS	(1s,2s)-2-[(n-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1cc2c(c(c1)Cl)c(n[nH]2)N	EQT	4-chloranyl-1~{h}-indazol-3-amine
+C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O	EQU	equilenin
+C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	EQV	loganic acid
+c1c(cnc(n1)NC2CCOCC2)Cl	EQW	5-chloranyl-~{n}-(oxan-4-yl)pyrimidin-2-amine
+Cc1nc2c3ccccc3nc(n2n1)NNC(=O)CCC(=O)O	EQX	4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid
+COC(=O)c1c(nc2ncnn2c1c3cc(cc(c3)F)F)c4cccnc4	EQY	methyl 7-(3,5-difluorophenyl)-5-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
+COCCN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl	EQZ	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{h}-isoindol-1-one
+C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCCC(=O)OC[C@H]([C@H](CO)O)O	ER0	[(2~{r},3~{s})-2,3,4-tris(oxidanyl)butyl] (5~{r},9~{r},13~{r})-5,9,13,17-tetramethyloctadecanoate
+S1[Fe]2[S]3[Fe][S]4[Fe]1[S]2[Fe]34	ER2	fe4s4
+[Er+3]	ER3	erbium (iii) ion
+COCCCOc1ccc(c(n1)Cc2ccccc2)C#C[C@]3(CN4CCC3CC4)O	ER4	(3r)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol
+c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCCCCCC3)F)C(=O)O	ER5	4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid
+c1ccc2c(c1)nc(c3n2ccc3)N4CCC[C@H](C4)C(=O)O	ER6	(3r)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid
+Cc1c(c(n2c(n1)ncn2)c3cccc(c3)F)C(=O)C	ER7	1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
+CC(C)(C)NC(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl	ER8	~{n}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]ethanamide
+c1cc(cc(c1)NC(=O)c2[nH]c(nn2)n3cnnc3)C(=O)O	ER9	3-[[5-(1,2,4-triazol-4-yl)-4h-1,2,4-triazol-3-yl]carbonylamino]benzoic acid
+CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCCCC/C=C\CCCCCC/C=C/C=C/CCCCC)O	ERA	(7z,15e,17e)-n-[(2s,3s,4e)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide
+CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C	ERB	erythromycin b
+COc1cc(ccc1OCCCS)CCNC[C@@H](c2ccc(c3c2C=CC(=O)N3)O)O	ERC	8-hydroxy-5-[(1r)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1h)-one
+c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O	ERD	(2s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4h-chromen-4-one
+C[C@H]1[C@@H]([C@@](C[C@@H](O1)O)(C)N)O	ERE	4-epi-vancosamine
+B(Cn1cc(nn1)c2ccsc2)(O)OP(=O)(O)O	ERF	phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid
+CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C	ERG	ergosterol
+Cc1cc(cc(c1)O)C	ERH	3,4-dimethylphenol
+C[C@H]1[C@@H]([C@@](C[C@@H](O1)O)(C)O)OC(=O)C	ERI	3-c-methyl-4-o-acetyl-alpha-l-olivopyranose
+c1cscc1c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O	ERJ	9-beta-d-ribofuranosyl-6-(thiophen-3-yl)-9h-purine
+C[C@H](c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	ERK	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{r})-1-phenylethyl]ethanamide
+C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C	ERM	ergotamine
+CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)N)C)O)(C)O	ERN	(3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-10-amino-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-py ran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]oxy }-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one
+C=CC1=C(NC(=O)NC1=O)C(=O)O	ERO	5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc(cc1)c2ccc(cc2)C#Cc3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O	ERP	6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-d-ribofuranosyl-9h-purine
+Cn1ccc2c1ccc(c2)c3cc4nccc(n4n3)c5cc(c(c(c5)OC)OC)OC	ERR	2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
+c1ccc(cc1)N2CCN(CC2)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O	ERS	(2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9h-purin-9-yl]tetrahydrofuran-3,4-diol
+CC[C@]1(C[C@@H](c2c(c(c3c(c2O)C(=O)c4c(cccc4OC)C3=O)O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O	ERT	methyl (4r)-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-beta-d-ribo-hexopyranosyl]oxy}-1h,2h,3h,4h,6h,11h-tetracene-1-carboxylate
+CCCCCCCC\C=C/CCCCCCCCCCCC(=O)N	ERU	(13z)-docos-13-enamide
+CC(C)(C)N(C)C(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl	ERW	~{n}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-methyl-ethanamide
+Cc1ccc(cc1)c2cc3nccc(n3n2)c4cc(c(c(c4)OC)OC)OC	ERX	2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
+CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O	ERY	erythromycin a
+Cc1cnc(nc1)Nc2cnn(c2C)C	ERZ	~{n}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine
+c1cc2c(c(c1)O)[nH]c(n2)N	ES0	2-amino-1h-benzimidazol-7-ol
+c1ccc2c(c1)c(ccn2)O	ES1	quinolin-4-ol
+c1cc2c(cc1Cl)NC(=O)C2	ES2	6-chloro-1,3-dihydro-2h-indol-2-one
+c1c(nc[nH]1)Br	ES3	4-bromo-1h-imidazole
+c1[nH]c2c(n1)c(ncn2)Cl	ES4	6-chloro-9h-purine
+c1cc2cc(ccc2nc1)N	ES5	quinolin-6-amine
+C1=CNC(=O)C(=C1)C(=O)O	ES6	2-oxo-1,2-dihydropyridine-3-carboxylic acid
+Cn1c2ccccc2nc1N	ES7	1-methyl-1h-benzimidazol-2-amine
+c1ccc2c(c1)-c3ccccc3C2=NOCC(=O)O	ES8	[(9h-fluoren-9-ylideneamino)oxy]acetic acid
+c1cc2c(cc1Cl)nc[nH]2	ES9	5-chloro-1h-benzimidazole
+CCS(=O)(=O)O	ESA	ethanesulfonic acid
+CC/N=C/1\C=C(C(=O)C=C1O)C[C@@H](C(=O)O)N	ESB	3-[(3e)-3-(ethylimino)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-l-alanine
+CCSCC[C@@H](C(=O)O)N	ESC	2-amino-4-ethyl sulfanyl butyric acid
+C(CSCC(=O)O)N	ESD	(2-amino-ethylsulfanyl)-acetic acid
+C[C@]12CC[C@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3)O	ESE	(1s,3ar,5r,7as)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1h-inden-1-ol
+C[C@@H](C(=O)NC1c2ccccc2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O	ESF	(2s)-2-hydroxy-3-methyl-n-[(2s)-1-[[(5s)-3-methyl-4-oxo-2,5-dihydro-1h-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide
+CCN1C(=O)C[C@@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N	ESG	l-gamma-glutamyl-s-[(3s)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-l-cysteinylglycine
+[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)Cl)C(C)C)/N	ESH	4- [(1r,3as,4r,8as,8br)- 2- (4-chlorobenzyl)- 1- isopropyl- 3- oxodecahydropyrrolo[3,4- a]pyrrolizin- 4- yl]benzenecarboximidamide
+c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I	ESI	4-iodobenzo[b]thiophene-2-carboxamidine
+c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)O	ESJ	(4s)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+c1ccc(cc1)[C@@H](CO)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	ESK	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-2-oxidanyl-1-phenyl-ethyl]ethanamide
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O	ESL	estriol
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)OC	ESM	1,3,5(10)-estratrien-2,3,17-beta-triol 2-methyl ether
+Cc1cccc(c1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	ESN	(2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OP(=O)(O)O	ESO	o3-phosphonoestrone
+c1cc2cc(sc2nc1)C(=[NH2+])N	ESP	thieno[2,3-b]pyridine-2-carboxamidine
+c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)N(C2)CCN5CCOCC5	ESQ	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{h}-isoindol-1-one
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@H]3CCC(=O)C4	ESR	5-alpha-estran-3,17-dione
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)S(=O)(=O)C	ESS	(1r,2s)-2-[(n-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O	EST	estradiol
+CC(C)(c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	ESW	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-(2-phenylpropan-2-yl)ethanamide
+c1ccc2c(c1)cc(s2)C(=[NH2+])N	ESX	benzo[b]thiophene-2-carboxamidine
+CC[C@H](C)[C@H](C=O)[C@H](C(=O)NCCCC[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)O	ESY	benzyl n-[(benzyloxy)carbonyl]-l-alanyl-n~6~-[(2r,3s,4s)-3-formyl-2-hydroxy-4-methylhexanoyl]-l-lysinate
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)Br)O	ESZ	(14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol
+CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N	ET	ethidium
+COc1ccc2c(c1)c(c[nH]2)CCC(=O)O	ET0	3-(5-methoxy-1h-indol-3-yl)propanoic acid
+COc1ccc(cc1)S(=O)(=O)n2cc(c3c2ccc(c3)OC)CCC(=O)O	ET1	3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1h-indol-3-yl}propanoic acid
+c1cc2c(cc1F)[nH]c(n2)N	ET2	6-fluoro-1h-benzimidazol-2-amine
+CCc1c(cc(c(c1CC(=O)N(CCOC)CCOC)C(=O)c2ccc(c(c2)OC)OCCN3CCOCC3)O)O	ET3	2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{n},~{n}-bis(2-methoxyethyl)ethanamide
+c1c(ocn1)C2=C[C@H](N(C[C@@H]2NOS(=O)(=O)O)C(=O)O)CN	ET5	(3~{r},6~{s})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{h}-pyridine-1-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)S(=O)(=O)C	ET6	(1s,2s)-1-hydroxy-2-{[n-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1ccc(cc1)c2c3cc(ccc3[nH]n2)c4ccncc4	ET8	3-phenyl-5-(pyridin-4-yl)-1h-indazole
+C=C1[C@H](C[C@@H]([C@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)n2cnc3c2NC(=NC3=O)N	ET9	[[(1r,3s,5s)-3-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory l] phosphono hydrogen phosphate
+C(CO)N	ETA	ethanolamine
+CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NC)O	ETB	ethyl coenzyme a
+CC[C@@H]1Cc2cc(ccc2C3=C1c4ccc(cc4C[C@H]3CC)O)O	ETC	(r,r)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
+C#C	ETD	ethenylene group
+COCCOCCOCCOCCO	ETE	2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol
+C(C(F)(F)F)O	ETF	trifluoroethanol
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCOCCOCCNC(=O)C34CC5CC(C3)CC(C5)C4	ETG	(3s,5s,7s)-n-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+C[CH2]	ETH	ethyl group
+CCI	ETI	iodoethane
+c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCC3)F)C(=O)O	ETK	4-[2-[3-(cyclooctylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid
+C[N+](C)(C)CCS	ETM	2-(trimethylammonium)ethyl thiol
+CCNC	ETN	methylethylamine
+CCOC=O	ETO	ethoxycarbonyl group
+B(c1cccc(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)(O)O	ETP	3-(4-benzenesulfonyl-thiophene-2-sulfonylamino)-phenylboronic acid
+CCc1cc(c(c(c1O)C(=O)NC[C@@H]2CCC[N@]2CC)OC)Cl	ETQ	3-chloro-5-ethyl-n-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide
+CCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C	ETR	n-ethyl retinamide
+CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C	ETS	(4s-trans)-4-(ethylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide
+Cc1ccc(cc1)/C=C/CC2=C(O[C@H]([C@@H]([C@H]2O)NC(=O)C)C([C@@H](CO)O)O)C(=O)O	ETT	5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2e)-3-(4-methylphenyl)prop-2-en-1-yl]-d-glycero-d-galacto-non-2-enonic acid
+C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)Cl)C	ETU	(3r)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone
+C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F	ETV	4-amino-5-fluoro-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1h)-one
+Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O	ETW	5-[(4-methylphenyl)methylcarbamoyl]-2-(6-oxidanyl-3-oxidanylidene-4~{h}-xanthen-9-yl)benzoic acid
+CCOCCO	ETX	2-ethoxyethanol
+CCc1ccc(cc1)O	ETY	4-ethylphenol
+CCOCC	ETZ	diethyl ether
+[Eu+2]	EU	europium ion
+C[C@@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C	EU1	(2r)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)NC2	EU2	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one
+[Eu+3]	EU3	europium (iii) ion
+CC(C)n1c2c(c(n1)C#Cc3cccc4c3cnc(c4)c5cccc(c5)C(F)(F)F)c(ncn2)N	EU4	1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	EU5	(2~{s})-~{n}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{s})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide
+C[C@@H](C12CC3CC(C1)CC(C3)C2)N	EU7	(1s)-1-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine
+c1ccc(c(c1)C[S+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N(=O)=O	EU9	[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3r)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-[(2-nitrophenyl)methyl]sulfanium
+c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N	EUB	4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile
+CC1CCC[C@]2([C@H]1C[C@H](CC2)C(=C)C)C	EUD	eudesmane cation
+CS(=O)(=O)c1ccc2c(c1)sc(n2)N	EUE	6-methylsulfonyl-1,3-benzothiazol-2-amine
+CCSSc1nc2ccccc2s1	EUF	2-(ethyldisulfanyl)-1,3-benzothiazole
+C/C=C/c1ccc(c(c1)OC)O	EUG	2-methoxy-4-[(1e)-prop-1-en-1-yl]phenol
+c1cc2c(cc1SC(F)(F)F)sc(n2)N	EUH	6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O	EUI	[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-[3-oxidanyl-3-[(2s)-piperidin-2-yl]azetidin-1-yl]methanone
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC	EUJ	(2r)-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate
+c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl	EUK	6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine
+c1ccc(c(c1)C(=O)Nc2c3c4c(sc3ncn2)CCCC4)Br	EUL	2-bromanyl-n-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide
+Cc1c(ccc2c1C(=O)NC(=N2)C)c3ccnc4c3cccc4	EUN	2,5-dimethyl-6-quinolin-4-yl-3~{h}-quinazolin-4-one
+CNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)cc[nH]3	EUO	6-(1h-indol-5-yl)-n-methyl-2-methylsulfonyl-pyrimidin-4-amine
+C([C@@H]([C@@H](C(=O)O)N)O)N	EUP	4-amino-l-allothreonine
+CCC(=O)NCCn1cc(nn1)CNCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl	EUQ	2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{n}-methyl-benzamide
+c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)CO)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl	EUR	4-chloranyl-n-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1h-imidazole-5-carboxamide
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)NS(=O)(=O)C)O	EUS	n-[(1r,2s,3s,4r,5s)-5-amino-4-{[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]methanesulfonamide
+c1c(cc(cc1F)F)N2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F	EUT	(8s)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6h-pyrimido[1,2-a]pyrimidin-4-one
+CCCNc1cc(nc(n1)S(=O)(=O)C)c2ccc3c(c2)ccn3CCCN(C)C	EUU	6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-n-propyl-pyrimidin-4-amine
+CCC(=O)NCCNC1=C(C(=O)C1=O)NCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl	EUW	2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{n}-methyl-benzamide
+CC(C)n1c2cc(cc(c2c3c1cc(nc3)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6)OCC(F)(F)F)N7CCN(CC7)C	EUX	n-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine
+C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2)n3nccn3)(C(=O)NO)S(=O)(=O)C	EUY	(2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[4-(2h-1,2,3-triazol-2-yl)phenyl]pyridin-1(2h)-yl}butanamide
+CCCC1=CC(=O)NC(=N1)N	EV0	2-amino-6-propylpyrimidin-4(3h)-one
+COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC	EV1	1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline
+c1ccc2c(c1)nc(c(n2)N3CCCC3)N	EV2	3-pyrrolidin-1-ylquinoxalin-2-amine
+c1cc2c(cc1Cl)nc(n2CCCO)N	EV3	3-(2-amino-5-chloro-1h-benzimidazol-1-yl)propan-1-ol
+CN(C1CCCCC1)C(=O)CCCn2c3ccc(cc3nc2N)Cl	EV4	4-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-cyclohexyl-n-methylbutanamide
+CC[C@@H](CC(=O)NCC1CCCCC1)n2c3ccc(cc3nc2N)Cl	EV5	(3s)-3-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-(cyclohexylmethyl)pentanamide
+CC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n4c5ccc(cc5nc4N)Cl	EV6	(3s)-3-(2-amino-5-chloro-1h-benzimidazol-1-yl)-n-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]pentanamide
+c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4	EV7	2-[(naphthalen-2-yl)oxy]-5-(1h-pyrazol-4-yl)benzoic acid
+COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)sc(n4)N	EV8	methyl 1-[4-[[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]methyl]phenyl]carbonylpiperidine-4-carboxylate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COC(=O)[C@H](CCCCN)N)O)OC(=O)CCCCCCCCCCCCCCC	EV9	[(2~{r})-3-[[(2~{s})-3-[(2~{s})-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate
+[C@@H]1([C@@H]([C@H](NC(=O)[C@@H]1O)C(=O)O)O)O	EVA	(2s,3r,4s,5r)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	EVB	sulfonato-calix[8]arene
+CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OCCN4CCOCC4)N5CCN(CC5)C	EVC	n-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide
+c1ccc2c(c1)cc(o2)S(=O)(=O)N	EVD	1-benzofuran-2-sulfonamide
+c1ccc2c(c1)[nH]c(n2)S(=O)(=O)N	EVE	1h-benzimidazole-2-sulfonamide
+c1ccc2c(c1)nc(s2)S(=O)(=O)N	EVF	1,3-benzothiazole-2-sulfonamide
+c1cc(oc1)S(=O)(=O)N	EVG	furan-2-sulfonamide
+c1cnc([nH]1)S(=O)(=O)N	EVH	1h-imidazole-2-sulfonamide
+c1csc(n1)S(=O)(=O)N	EVI	1,3-thiazole-2-sulfonamide
+c1cc(sc1)S(=O)(=O)N	EVJ	thiophene-2-sulfonamide
+CC(C)Nc1cc(c(cn1)Cl)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl	EVK	4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{n}-[(1~{s})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{h}-pyrrole-2-carboxamide
+CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OC)N4CCC(CC4)N5CCN(CC5)C	EVL	n-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C-](CO)C(=O)O)O	EVM	l-serine, n-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]
+Cc1cc(cc(c1C(=O)O[C@@H]2CO[C@]3([C@H]4[C@H]2OCO4)O[C@H]5CO[C@H]([C@@H]([C@@H]5O3)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)COC)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)OC)O[C@H]8[C@H]([C@@]9([C@@H]([C@H](O8)C)O[C@@]1(O9)C[C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)O[C@@H]1C[C@]([C@H]([C@@H](O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)OC)O)O	EVN	(2r,3r,4r,6s)-6-{[(2r,3ar,4r,4'r,5's,6s,6'r,7s,7ar)-6-{[(2s,3r,4r,5s,6r)-2-{[(2r,3s,4s,5s,6s)-6-({(2r,3as,3a'r,6s,7r,7' r,7as,7a's)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4h-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}ox y)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2h-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2h-pyran-4- yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4h-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2r,4s,5r, 6s)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2h-pyran-2-yl]oxy}-2-methyltetrahydro-2h-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name)
+c1ccc2c(c1)/C(=C\c3cccnc3)/C(=O)N2	EVO	(3e)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2h-indol-2-one
+C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7)OC)O)OC)OCO5)O)O	EVP	(5s,5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-o-[(1r)-ethylidene]-beta-d-glucopyranoside
+C[C@H](c1cccc(c1)OC)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	EVQ	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{r})-1-(3-methoxyphenyl)ethyl]ethanamide
+CCNS(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(c(c3)OC)N4CCC(CC4)N5CCN(CC5)C)CCc6cc(cc(c6)OC)OC	EVR	2-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]pyrimidin-4-yl]amino]-n-ethyl-benzenesulfonamide
+C\C=C/1\C[N@@]2[C@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@@H]1[C@@H]3C=O	EVS	16-epi-vellosimine
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O	EVT	(2~{s})-2-[[(4~{s})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
+c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3	EVU	4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one
+CCCCC[C@H]([C@@H](CC)N(C=O)O)C(=O)NCNC(=O)c1ccc(o1)c2ccc(c(c2)OCC)C(=O)N[C@@H](CC(=O)O)C(=O)O	EVV	n-(2-ethoxy-4-{5-[({[(2r)-2-{(1r)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-l-aspartic acid
+c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N	EVW	2-azanyl-~{n}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide
+CCCCCCCC[C@H](CCCCCC)C(=O)N[C@H]1CCOC1=O	EVY	(2s)-2-hexyl-n-[(3s)-2-oxooxolan-3-yl]decanamide
+COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N	EVZ	methyl 1-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate
+Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC	EW0	7-chloranyl-4-[(3-methoxyphenyl)amino]-n-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide
+Cc1cc2c(c(n1)N)ncn2C3CN(C3)C(=O)c4ccn(c4)CC5CCN(CC5)[C@@H]6CCCCC=C6	EW1	[3-(4-amino-6-methyl-1h-imidazo[4,5-c]pyridin-1-yl)azetidin-1-yl][1-({1-[(1r)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl )-1h-pyrrol-3-yl]methanone
+c1ccc(cc1)n2cc(c(n2)c3c4ccccc4[nH]c3Cl)Cn5ccnc5	EW2	2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{h}-indole
+C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	EW3	[(2~{r},3~{r},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+Cc1cc2c(c(n1)N)ncn2C3(CN(C3)C(=O)c4ccn(c4)CC5CCN(CC5)[C@@H]6CCCCC=C6)C	EW4	[3-(4-amino-6-methyl-1h-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1r)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1h-pyrrol-3-yl]methanone
+c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4	EW5	1-phenyl-3-pyridin-4-yl-~{n}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
+C[C@](CO)(C(=O)O)N	EW6	alpha-methyl-l-serine
+CCCCCCCCCCCCCCCCCCC(=O)O	EW8	nonadecanoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)OC(C)(C)C	EW9	(1s,2s)-2-{[n-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+B([C@@H](C)NC(=O)c1c(cccc1OC)OC)(O)O	EWA	[(1s)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid
+[B-]([C@@H](C)NC(=O)c1ccccc1Cc2ccccc2)(O)(O)O	EWB	[(1s)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)
+C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]23C(=O)N=C(N3)N)COP(=O)(O)O)O	EWC	[(2~{r},3~{s},5~{r})-5-[(5~{s})-7-azanyl-2,4,9-tris(oxidanylidene)-1,3,6,8-tetrazaspiro[4.4]non-7-en-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc(cc1)Oc2ccc(cc2C(=O)O)c3c[nH]nc3	EWD	2-phenoxy-5-(1h-pyrazol-4-yl)benzoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)[NH3+])O	EWE	[(2~{s})-3-(1~{h}-indol-3-yl)-1-[(2~{e})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium
+c1cc(cc(c1)C(=O)O)c2c[nH]nc2	EWG	3-(1h-pyrazol-4-yl)benzoic acid
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4NC(=O)C=C)Cl	EWH	~{n}-[2-[[5-chloranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
+c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4F	EWJ	5-(3-fluoro-1h-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid
+c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N	EWK	4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{n}-(phenylmethyl)benzamide
+CCCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N	EWL	6-azanyl-2-butoxy-9-(phenylmethyl)-7h-purin-8-one
+CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O	EWM	n-[(3s)-2-oxooxolan-3-yl]dodecanamide
+CC(C)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F	EWN	6-[[(3~{s})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{h}-1,4-benzoxazin-3-one
+c1cc(ccc1[C@@H]2c3c([nH]cn3)CCN2)F	EWO	(4r)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine
+CC1=CC(=O)N(c2c1cc(cc2OC)OC)C	EWQ	6,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one
+CCO[C@@H](Cc1ccc(cc1)OCCn2c(ccc2c3ccc(cc3)SC)C)C(=O)O	EWR	(2s)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid
+c1cc(ccc1C[C@@H]2C[C@H](CC[NH2+]2)NC(=O)c3c[nH]c4c3cc(cc4)Br)Cl	EWS	(2r,4s)-4-[(5-bromo-1h-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium
+c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl	EWT	2-azanyl-~{n}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide
+COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N	EWU	6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7h-purin-8-one
+COc1cc2c(cc1OC)-c3cc4ccc5c(c4c[n+]3CC2)OCO5	EWV	epiberberine
+CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N	EWW	2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3cccnc3)N	EWX	6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7h-purin-8-one
+CC1=CC(=O)NC(=N1)SCC(=O)c2cccc(c2)S(=O)(=O)N	EWY	3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
+CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl	EWZ	5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
+CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5C[C@@H]6C[C@H]5CN6C)N	EX0	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine
+CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C	EX1	2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CCOc1nc(c2c(n1)n(c(n2)c3cc(cnc3)F)Cc4ccc(cc4)CN5C[C@@H]6C[C@H]5CN6C)C	EX3	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine
+C[C@@H]1CC(=O)Nc2c1c(ncn2)N3CCC(CC3)c4nc(cn4CCN5CCCC5)c6ccc(c(c6)C(F)(F)F)F	EX4	(5r)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1h-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6h)-one
+CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)C[C@H]5[C@@H]2O5)c6cc(c(cc6N3)OC)OC(=O)C)C(=O)OC	EX5	jerantinine b
+c1cc(cc(c1)Cl)CCc2[nH]c3c(n2)cccc3O	EX7	2-[2-(3-chlorophenyl)ethyl]-1h-benzimidazol-7-ol
+C1[C@@H]([C@@H]([C@H](N1)C=O)F)O	EX8	(2~{r},3~{r},4~{s})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde
+Cc1c(c(c(cn1)COP(=O)(O)O)[C@H](NCCCC[C@@H](C(=O)O)N)NC(=C)C(=O)O)O	EXA	n~6~-[(r)-[(1-carboxyethenyl)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-l-lysine
+c1ccc2c(c1)ncn2CCC(=O)O	EXB	3-(1h-benzimidazol-1-yl)propanoic acid
+CC1(c2cc3c(cc2C(N1[O])(C)C)OC4=CN(C(=O)N=C4N3)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C	EXC	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5' :5,6][1,4]oxazino[2,3-f]isoindol-2(3h)-one radical
+c1cc2c(c(c1)O)[nH]c(n2)C(F)(F)F	EXD	2-(trifluoromethyl)-1h-benzimidazol-7-ol
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F	EXE	(2~{r},3~{s},4~{s})-1-[(2~{s})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2c(cn3c(n2)ccn3)F	EXF	n-[(2r)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
+c1ccc(cc1)Cn2cnc3c2cccn3	EXG	1-benzyl-1h-imidazo[4,5-b]pyridine
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F	EXH	(2~{r},3~{r},4~{s})-1-[(2~{s})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC	EXI	n1-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-n1,n2-dimethylethane-1,2-diamine
+CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)Cl	EXJ	(3r)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile
+Cn1cc(c2c1cccc2)C[C@@H](C(=O)O)N	EXL	1-methyl-l-tryptophan
+C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C	EXM	(8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione
+CCn1c2ccc(cc2c3c1cc(cc3)c4ccco4)C[NH2+]C	EXN	[9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium
+C=C1C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O	EXO	(1r,2s,3s,4r)-5-methylenecyclohexane-1,2,3,4-tetraol
+CC1=Nc2nc(nn2C(=O)C1)NCc3cccc(c3)Br	EXP	2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6h)-one
+CCn1c2ccc(cc2c3c1cc(cc3)c4cc(cs4)C)C[NH2+]C	EXQ	[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium
+c1ccc2c(c1)c(cs2)C[C@H](C(=O)O)N	EXR	(2r)-2-azanyl-3-(1-benzothiophen-3-yl)propanoic acid
+CC(C)(CO)[C@H](C(=O)NCCc1[nH]c2c(n1)cccc2O)O	EXS	(2r)-2,4-dihydroxy-n-[2-(7-hydroxy-1h-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCOP(=O)(O)O)O	EXT	{5-hydroxy-6-methyl-4-[(e)-{[2-(phosphonooxy)ethyl]imino}methyl]pyridin-3-yl}methyl dihydrogen phosphate
+CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C	EXU	1,3,7-trimethyl-9h-purine-2,6,8-trione
+c1cc(cc(c1)C(=O)O)[C@H]2CCC[C@@H]2c3[nH]c4c(n3)cccc4O	EXV	3-[(1s,2s)-2-(7-hydroxy-1h-benzimidazol-2-yl)cyclopentyl]benzoic acid
+CC1=CCCC(=C(C[C@]2(CC[C@H]([C@H]2CC1)C(=C)C)C)F)C	EXW	2-fluoro-3,7,18-dolabellatriene
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)c(c(c(c2Br)Br)Br)Br	EXX	4,5,6,7-tetrabromo-1-(2-deoxy-beta-d-erythro-pentofuranosyl)-1h-benzimidazole
+C1[C@H](O1)CCCC[C@@H](C(=O)O)N	EXY	6-[(2r)-oxiran-2-yl]-l-norleucine
+Cc1c(c(n[nH]1)C(F)(F)F)Cc2c(c3c(s2)N(C(=O)N(C3=O)C)C(C)C)C(=O)N4C[C@@](CO4)(C)O	EY0	3-methyl-5-[[(4~{r})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{h}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione
+c1cc(ccc1C23CC4CC(C2)CC(C4)C3)NC(=O)CSc5[nH]cnn5	EY1	2-[(4h-1,2,4-triazol-3-yl)sulfanyl]-n-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide
+CCn1c2ccc(cc2c3c1cc(cc3)Br)C[NH2+]C	EY2	(7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium
+CC(C)Oc1ccc2c(c1)cc[nH]2	EY3	5-propan-2-yloxy-1h-indole
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C	EY4	(3a,5a)-3-hydroxypregnane-11,20-dione
+CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C	EY5	erythromycin d
+c1cc2c(cc[nH]2)cc1OCCF	EY6	5-(2-fluoranylethoxy)-1h-indole
+COc1c(nc2ccccc2n1)CCC(=O)O	EY7	3-(3-methoxyquinoxalin-2-yl)propanoic acid
+c1cc2c(cc1C(=O)N3c4ccc(cc4OC[C@@H]3CS(=O)(=O)N)F)NC(=O)CO2	EY8	[(3~{r})-7-fluoranyl-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]methanesulfonamide
+COCCOc1ccc2c(c1)cc[nH]2	EY9	5-(2-methoxyethoxy)-1h-indole
+CN1C(=Nc2ccccc2C1=O)CCC(=O)O	EYA	3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
+CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C	EYB	[9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium
+c1cc(c(cc1NC(=O)CCl)S(=O)(=O)O)C#Cc2ccc(cc2S(=O)(=O)O)NC(=O)CCl	EYC	2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid}
+CCn1c2ccc(cc2c3c1cc(cc3)c4ccc(s4)C)C[NH2+]C	EYE	[9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium
+COc1cccc(c1)Cn2ccc3c2ncc(c3)C(=O)NO	EYF	1-[(3-methoxyphenyl)methyl]-~{n}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide
+CSCCC([C@]1(N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)O)N	EYG	{(2r,4z)-2-[(1r)-1-amino-3-(methylsulfanyl)propyl]-2-hydroxy-4-[(4-hydroxyphenyl)methylidene]-5-oxoimidazolidin-1-yl}acetic acid
+Cc1ccc(cc1N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5C)Cl)Cl	EYH	(4~{s})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one
+c1ccc2c(c1)nc(s2)CCC(=O)O	EYJ	3-(1,3-benzothiazol-2-yl)propanoic acid
+CC(C)(C)c1cc(ccc1O)O	EYK	2-tert-butylbenzene-1,4-diol
+c1ccc(cc1)Cn2ccc3c2nccc3C(=O)NO	EYL	~{n}-oxidanyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-4-carboxamide
+CN1c2ccccc2N=C(C1=O)CCC(=O)O	EYM	3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid
+CC(C)Cc1cc2c(cc1F)OC[C@@H](N2C(=O)c3ccc4c(c3)NC(=O)CO4)CC(=O)NC	EYN	2-[(3~{s})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{n}-methyl-ethanamide
+C1COCCOCCOCCOCCO1	EYO	1,4,7,10,13-pentaoxacyclopentadecane
+c1c2c(cc3c1nc(s3)CCC(=O)O)sc(n2)CCC(=O)O	EYP	3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid
+Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)[C@@H](C)N4CCN(CC4)C)NC(=O)C5CC5	EYQ	~{n}-[5-methyl-4-[7-[[(2~{r})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{h}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide
+CC[C@@H](C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	EYR	(6~{e},10~{e},14~{e},18~{e},22~{e},26~{e},30~{r})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene
+C([C@@H](C=O)[NH3+])S[SeH]	EYS	s-selanylcysteinal
+c1ccc2c(c1)nc(s2)CC(=O)O	EYV	(1,3-benzothiazol-2-yl)acetic acid
+C1CNC[C@@H]1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	EYW	5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-[(3~{r})-pyrrolidin-3-yl]pentanamide
+c1ccc2c(c1)ccc(n2)CCC(=O)O	EYY	3-(quinolin-2-yl)propanoic acid
+c1ccc(cc1)S[C@H](CC(=O)NCCCC[C@@H](C(=O)O)N)C(=O)O	EYZ	(2~{s})-2-azanyl-6-[[(3~{r})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid
+C=CC[Se]c1ccc(cc1)S(=O)(=O)N	EZ1	4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
+C[C@H](c1ccc(cc1)n2ccnc2)NC(=O)CCC3=NC(=O)c4ccccc4N3	EZ2	~{n}-[(1~{r})-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxidanylidene-1~{h}-quinazolin-2-yl)propanamide
+C[C@H]1CCC[C@@H](O1)[C@H]([C@H]2Cc3cc(cc(c3C(=O)O2)O)O)O	EZ3	(3r)-3-[(r)-[(2r,6s)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
+C([C@H]([C@H]([C@@H](C(=O)N=O)O)O)O)O	EZ4	(2s,3r,4r)-2,3,4,5-tetrahydroxy-n-oxo-pentanamide
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)O)O)[C@H](C)CNC(=O)C)O)C)COC	EZ5	~{n}-[(2~{s})-2-[(1~{e},3~{r},4~{s},8~{r},9~{r},10~{r},11~{s},14~{s})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]ethanamide
+CNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)C5(CC5)C(=O)O)n6ccc(n6)C(F)(F)F)F	EZ6	1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9h-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid
+CC(=O)Nc1ccc2c(c1)nc(o2)c3ccnc(c3)C(=O)N4CCN(CC4)[C@H](c5ccccc5)c6nnn(n6)C	EZ7	n-[2-(2-{4-[(r)-(2-methyl-2h-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide
+c1cc(ccc1CNC(=O)[C@H]2C[C@@H]([C@H](C[C@@H]2C(=O)NCc3ccc(cc3)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)n5cc(nn5)C[NH3+])OCCCl)CO	EZ8	[1-[(2~{s},3~{s},4~{r},5~{s},6~{r})-2-[(1~{s},2~{s},4~{s},5~{s})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium
+CCNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)OCC(C)(C)C(=O)O)n5ccc(n5)C(F)(F)F)F	EZ9	3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9h-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid
+CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)C(NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C	EZA	n-[(6as,12s,15as,17r,21r,23as)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2h,6h,11h,15h-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-nalpha-[(2e)-hept-2-enoyl]-l-phenylalaninamide
+Cc1c(ccc2c1C(=O)NC=N2)c3cccc4c3cccn4	EZB	5-methyl-6-quinolin-5-yl-3~{h}-quinazolin-4-one
+CCCC[C@@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3	EZC	2-[[(2~{r})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{h}-inden-5-yl]oxy]ethanoic acid
+c1cc(c(cc1O)O)/C=C/c2cc(cc(c2)O)O	EZE	trans-oxyresveratrol
+Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)Cc4ccc(cc4Cl)C(=O)OC)O)c5ccc(cc5)CN	EZF	methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)N)O)[N+](=O)[O-]	EZG	n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-l-histidinamide
+c1cc(c(cc1O)O)/C=C\c2cc(cc(c2)O)O	EZH	cis-oxyresveratrol
+c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)[NH+]=C3NCCN3)[NH+]=C4NCCN4	EZK	[4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium
+CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N	EZL	6-ethoxy-1,3-benzothiazole-2-sulfonamide
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](CCCCN)N)O)[N+](=O)[O-]	EZM	n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-l-lysinamide
+c1cc(c2cc[nH]c2c1)c3cc(cc(c3)Cl)CN	EZN	[3-chloranyl-5-(1~{h}-indol-4-yl)phenyl]methanamine
+CN(c1nc(cs1)c2ccccc2Cl)/N=C/c3ccccc3C(=O)O	EZO	2-[(e)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid
+c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@@H](Cc2c[nH]cn2)N)O)N(=O)=O	EZP	n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-d-histidinamide
+CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6OC)N	EZR	3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-indazol-6-yl}aniline
+Cc1nc(cn1Cc2ccc(cc2)F)C(=O)C	EZS	1-{1-[(4-fluorophenyl)methyl]-2-methyl-1h-imidazol-4-yl}ethan-1-one
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(\C=C\c5ccccc5C(F)(F)F)O)O	EZT	(17beta)-17-{(e)-2-[2-(trifluoromethyl)phenyl]vinyl}estra-1(10),2,4-triene-3,17-diol
+C[C@H](C(=O)N1CC2(C1)COC2)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3	EZU	1-cyclopentyl-6-[[(2r)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5h-pyrazolo[3,4-d]pyrimidin-4-one
+CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N	EZV	4-{3-[7-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-indazol-6-yl}aniline
+CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6	EZW	5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate
+c1ccc(c(c1)CNCC(=O)O)N(=O)=O	EZY	n-[(2-nitrophenyl)methyl]glycine
+CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O	EZZ	(3~{s})-3-[2-[(dimethylamino)methyl]-1~{h}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one
+[F-]	F	fluoride ion
+C=CCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O	F00	(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F	F01	4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one
+CCN(CC)c1ccc(cc1)C(=O)NN	F02	4-(diethylamino)benzohydrazide
+CC(=O)NC1=Nc2ccccc2C(=O)N1	F03	n-(4-oxo-3h-quinazolin-2-yl)acetamide
+CCN1C(=O)c2ccccc2C(=N1)C	F04	2-ethyl-4-methyl-phthalazin-1-one
+c1ccc2c(c1)CN=C2N	F05	1h-isoindol-3-amine
+[H]/N=C(\N)/SCc1ccccc1Cl	F06	2-chlorobenzyl carbamimidothioate
+c1cncc2c1ncc3c2scc3	F07	thieno[3,2-c][1,6]naphthyridine
+COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2	F08	methyl 4-(4-oxo-4h-chromen-2-yl)benzoate
+CCCCCCCCCO	F09	nonan-1-ol
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O)OC	F0A	3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
+c1ccc(cc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O	F0B	(3~{s})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one
+COc1ccc(cc1)CC2=NCCC3=C2CCCC3	F0C	1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)CCBr	F0D	3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
+c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C(=O)NCCCNC(=O)OC8CCCCCCC8	F0E	cyclooctyl ~{n}-[3-[[4-[5-[[(3~{r})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]carbonylamino]-1~{h}-indazol-3-yl]pyridin-2-yl]carbonylamino]propyl]carbamate
+CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2	F0F	(1r,2s)-2-(aminomethyl)-n,n-diethyl-1-phenyl-cyclopropane-1-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O	F0G	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-alanine
+c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)Nc4ccnc(c4)C#CCCNC(=O)O[C@@H]5CCC/C=C\CC5)F)Cl	F0H	[(1~{r},4~{z})-cyclooct-4-en-1-yl] ~{n}-[4-[4-[[4-[1-[(1~{s})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
+COc1ccc(c(c1)OC)O	F0J	2,4-dimethoxyphenol
+Cn1cc(nc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O	F0K	(3~{s})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{h}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one
+C[C@@]1([C@@H](C2=[N]3C1=Cc4c(c(c5n4[Ni+2]36[N]7=C(C=C8N6C(=C2)[C@@]([C@@H]8CCC(=O)O)(C)CC(=O)O)C(=C(C7=C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	F0L	nickel-sirohydrochlorin
+COc1cc(ccc1O)N(=O)=O	F0M	2-methoxy-4-nitrophenol
+c1ccc2c(c1)c(c([nH]2)[C@H]3CCCN3)[C@@H]4c5ccccc5C(=O)N4	F0N	(3~{s})-3-[2-[(2~{r})-pyrrolidin-2-yl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one
+c1c(sc(n1)Cl)C(=O)O	F0O	2-chloranyl-1,3-thiazole-5-carboxylic acid
+c1cc(cc(c1)C(=O)N)CCN(CCC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	F0P	(2~{s})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid
+Cn1nc(nn1)CN(Cc2ccc(cc2)N)C(=O)NCC(=O)N3CCC[C@@H]3c4ccccc4Br	F0Q	1-[(4-aminophenyl)methyl]-3-[2-[(2~{r})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea
+Cc1ccccc1NC(=S)NCc2ccco2	F0R	1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea
+CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c(cccc3OC)OC)F)C(=O)Nc4ccc5c(c4)cn[nH]5	F0S	(4~{s})-4-[3-[(2,6-dimethoxyphenyl)methylcarbamoyl]-4-fluoranyl-phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide
+CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)CC2CC2	F0T	ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate
+Cc1cc(cc(c1NC(=O)c2cc(nn2c3c(cccn3)Cl)Br)C(=O)NC)Cl	F0U	5-bromanyl-n-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide
+Cc1ccc(cc1Cl)Nc2cc(nc3[n+]2nc([nH]3)Cc4ccccc4)C	F0V	2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3h-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
+CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2nnn(n2)C	F0W	ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate
+C[C@@]1([C@@H](C2=[N]3C1=Cc4c(c(c5n4[Co+2]36[N]7=C(C=C8N6C(=C2)[C@@]([C@@H]8CCC(=O)O)(C)CC(=O)O)C(=C(C7=C5)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O	F0X	cobalt-sirohydrochlorin
+Cc1ccc2c(n1)[nH]c(n2)N[C@H](CC#N)c3cccc(c3)CC4CCN(CC4)C(=O)OC	F0Y	methyl 4-[(3-{(1r)-2-cyano-1-[(5-methyl-3h-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate
+c1ccc(c(c1)C2=NCCCN2)S	F0Z	2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol
+c1ccc(c(c1)c2cc(ccn2)c3cc4c([nH]3)CCNC4=O)F	F10	2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCNc4c5ccccc5nc6c4CCCC6	F11	n,n'-di-1,2,3,4-tetrahydroacridin-9-ylpentane-1,5-diamine
+CC(=O)Nc1c(ccs1)C(=O)O	F12	2-(acetylamino)thiophene-3-carboxylic acid
+c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3	F13	3-fluoro-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide
+CC1=Nc2nc(nn2C(=O)C1)N[C@H](C)c3cccc(c3)Oc4ccc(cc4)OC	F14	2-({(1r)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6h)-one
+CCCCCCCCCCCCCCC(=O)O	F15	pentadecanoic acid
+c1cc(cc(c1)O)C2=CC(=O)NS2(=O)=O	F16	5-(3-hydroxyphenyl)isothiazol-3(2h)-one 1,1-dioxide
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)C3=CC(=O)NS3(=O)=O)C(=O)N)NC(=O)Cc4ccc(cc4)C5=CC(=O)NS5(=O)=O	F17	n-{[4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]acetyl}-l-phenylalanyl-4-(1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-l-phenylalaninamide
+c1cc(ccc1/N=N\c2c([nH]nc2N)N)O	F18	4-[(e)-(3,5-diamino-1h-pyrazol-4-yl)diazenyl]phenol
+c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O	F19	2-[(2-naphthylsulfonyl)amino]ethyl dihydrogen phosphate
+Cc1cc(c(c(c1)C)S(=O)(=O)N)C	F1A	2,4,6-trimethylbenzenesulfonamide
+CC(=O)c1ccc2c(c1)/C(=C(\c3ccccc3)/NC4CCN(CC4)C)/C(=O)N2	F1B	(3~{z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{h}-indol-2-one
+CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3cccc(c3)NC(=O)C	F1C	3,5-bis(3-acetamidophenyl)benzoic acid
+CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)OC4CCN(CC4)C(=O)OC	F1D	methyl 4-(3-{(1r)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl}phenoxy)piperidine-1-carboxylate
+CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C	F1E	ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate
+Cn1c2c(cc(s2)C(=O)NCCS)c(n1)C(F)(F)F	F1G	1-methyl-3-trifluoromethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide
+c1ccc(cc1)CN2CCC(CC2)NC(=O)CCCS	F1H	n-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
+COc1cccc(c1CN2CCC(CC2)NC(=O)CCCS)OC	F1I	n-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
+c1cc(ccc1C[N@@]2CCN[C@@H](C2)C(=O)NCCS)F	F1J	(2s)-4-(4-fluorobenzyl)-n-(2-sulfanylethyl)piperazine-2-carboxamide
+c1cc(ccc1C[N@@]2CCN[C@@H](C2)C(=O)NCCCS)F	F1K	(2s)-4-(4-fluorobenzyl)-n-(3-sulfanylpropyl)piperazine-2-carboxamide
+COc1cc(cc(c1OC)CN2CCC(CC2)NC(=O)CCCS)Br	F1L	n-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
+CC(C)Oc1c(cc(cc1OC)Cl)CN2CCC(CC2)NC(=O)COc3ccc(cc3)S(=O)(=O)N	F1M	n-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide
+Cc1cc(ccc1OCC(=O)NC2CCN(CC2)Cc3cc(cc(c3OC(C)C)OC)Cl)S(=O)(=O)N	F1N	n-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
+C1[C@H]([C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O	F1P	1-o-phosphono-beta-d-fructopyranose
+CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2[nH]nnn2	F1Q	ethyl 2-[[(4-aminophenyl)methyl-(1~{h}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate
+COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCCNc4nc(nc(n4)N)N	F1R	n4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
+Cc1nc(nc(n1)N)c2cc(cnc2Nc3cc(c(nc3)Cl)NS(=O)(=O)C)C4CCOCC4	F1S	n-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2h-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide
+Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F	F1T	3,6-dimethyl-~{n}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
+CN(C)C[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O	F1U	(1s,2s)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
+CC(C)(C)C(=O)NCCc1c[nH]c2c1cc(cc2)OC	F1V	n-[2-(5-methoxy-1h-indol-3-yl)ethyl]-2,2-dimethylpropanamide
+CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2)NC(=O)CCCCN(C)C	F1W	4-~{tert}-butyl-~{n}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O	F1X	1-o-phosphono-beta-d-fructofuranose
+CCCc1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO	F1Y	n-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide
+CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(cc1)N	F1Z	ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N)NC(=O)c4ccccc4	F20	n-benzoyl-l-phenylalanyl-4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-l-phenylalaninamide
+c1cc2c(cc1S(=O)(=O)N3CCSCC3)CN[C@H](C2)CF	F21	(3r)-3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
+CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O	F22	(4z,7z,10z,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenoic acid
+CCCCCCCCCCCCCCCCCCCCCCC(=O)O	F23	tricosanoic acid
+C[C@H](CCCC[C@H]([C@@H](CO)C=O)O)CC(=CC(=CC(=O)O)C)C	F24	(7r,12r,13r)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid
+c1cc(ccc1CN2[C@@H]([C@H]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)C(N)N)C(F)F)F	F25	4-(1r,3as,4r,8as,8br)-[1-difluoromethyl-2-(4-fluorobenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine
+Cc1ccc(c(c1C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)C	F26	2-[(1e,3e,5e,7e,9e,11e,13e,15e,17e,19e)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene
+c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O	F27	6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
+C=CCn1c2c(cc(nn2)c3c4ccccn4nc3c5ccccc5)c(n1)N	F29	1-allyl-5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridazin-3-amine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)N	F2A	2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine
+c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N	F2B	n-(2,3-difluoro-benzyl)-4-sulfamoyl-benzamide
+c1ccc(cc1)CCCCCCC(=O)c2ncc(o2)c3cccc(n3)C(=O)O	F2C	6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
+CCCCCC/C=C/CC1=C(C(=O)c2ccccc2N1)C	F2D	3-methyl-2-[(2e)-non-2-en-1-yl]quinolin-4(1h)-one
+C[C@H]([C@@H](C(=O)N1CCCN1c2ccccc2Br)NC(=O)NCc3ccc(cc3)N)OCCCO	F2E	1-[(4-aminophenyl)methyl]-3-[(2~{s},3~{r})-1-[2-(2-bromophenyl)pyrazolidin-1-yl]-1-oxidanylidene-3-(3-oxidanylpropoxy)butan-2-yl]urea
+c1cc(c(cc1C[C@@H](C(=O)O)N)F)F	F2F	3,4-difluoro-l-phenylalanine
+CC(C)[C@@H](C(N[C@@H](C)C(N[C@@H](CC(O)O)[C@H](C)O)O)O)NC(O)OCC1CCCCC1	F2G	3-(2-{2-[(cyclohexylmethoxy-hydro-methyl)-amino]-1-hydroxy-3-methyl-butylamino}-1-hydroxy-propylamino)-pentane-1,1,4-triol
+c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)Nc5ccc(c6c5c(ccc6)S(=O)(=O)[O-])S(=O)(=O)[O-]	F2H	4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)I)O)C	F2I	n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-n,n-dipropylisophthalamide
+[H]/N=C(\c1cccs1)/Nc2ccc3c(c2)ccn3C4CCNCC4	F2J	n-[1-(piperidin-4-yl)-1h-indol-5-yl]thiophene-2-carboximidamide
+c1cc(ccc1[C@H]2C(=C(OC3=C2C(=O)NC(=O)N3)N)C#N)Cl	F2K	(5~{s})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
+CC(=O)Nc1c(cccc1F)F	F2L	~{n}-[2,6-bis(fluoranyl)phenyl]ethanamide
+C/C=C/N(C)Cc1ccco1	F2M	(~{e})-~{n}-(furan-2-ylmethyl)-~{n}-methyl-prop-1-en-1-amine
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CCc7ccccc7	F2N	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[7,8-dimethyl-2,4-dioxo-5-(3-phenylpropanoyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+O([Fe])[Fe]	F2O	mu-oxo-diiron(iii)
+C([C@H]([C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O	F2P	1,6-di-o-phosphono-d-allitol
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/N[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	F2R	adp-ribosyl-l-arginine
+CC[C@@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C	F2S	11-[(2r)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)S)O)F	F2T	2'-deoxy-2'-fluoro-5'-o-thiophosphonouridine
+C#CC1=CN(C(=O)NC1=O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	F2U	2'-deoxy-5-ethynyl-2',2'-difluorouridine
+C[NH+]1CCc2cc(c(cc2C1)OC)OC	F2W	6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium
+C[C@@H]1CC(=O)c2c(cccc2O)C1=O	F2X	(2~{r})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione
+c1c(cc(c(c1F)O)F)C[C@@H](C(=O)O)N	F2Y	3,5-difluoro-l-tyrosine
+COc1cc2c(cc1OC)CNC(=O)C2	F2Z	6,7-dimethoxy-2,4-dihydro-1~{h}-isoquinolin-3-one
+CC(=O)c1ccc(c(c1)OC)N	F31	1-(4-azanyl-3-methoxy-phenyl)ethanone
+c1ccc2c(c1)[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)Nc5nc6ccccc6s5	F32	(5s)-5-{4-[(2s)-2-(1h-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4=O	F33	2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydroquinazolin-4-one
+CC(=O)N[C@H]1CNC[C@H]([C@H]([C@@H]1O)O)O	F34	n-[(3s,4r,5r,6r)-4,5,6-trihydroxyazepan-3-yl]acetamide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CN4C(=O)CNC4=O	F35	3-[[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione
+CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	F36	2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one
+C[C@@]1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3	F37	(5s)-5-methyl-5-[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS(=O)(=O)N	F38	[4-(4-oxo-3,4-dihydroquinazolin-2- yl)phenyl]methanesulfonamide
+CCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(C)(C)CCCC(=CC=C/C(=C/C=C/C(=C/C=CC=C(C)C=CC=C(C)C=Cc2c(ccc(c2C)C)C)/C)/C)C)O)O)O	F39	[(2r,3s,4s,5r,6r)-6-[(10e,12e,14e)-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dodecanoate
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(C(F)(F)[P@](=O)(O)OP(=O)(O)O)O)O)N	F3A	2'-deoxy-5'-o-[(s)-{difluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
+c1(c(c(c(c(c1Cl)F)Cl)F)Cl)F	F3B	1,3,5-trichloro-2,4,6-trifluorobenzene
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O	F3C	2'-deoxy-5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+CC/C(=C(/c1ccc(cc1)OCCNCCCC(=O)N(C)C)\c2ccc3c(c2)cn[nH]3)/c4ccccc4	F3D	4-[(2-{4-[(1e)-1-(1h-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-n,n-dimethylbutanamide
+c1ccc(cc1)c2ccnc(n2)N	F3E	4-phenylpyrimidin-2-amine
+c1ccc(cc1)C#Cc2ccc(o2)C(=O)Sc3[nH]c(nn3)C(F)(F)F	F3F	s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
+CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)COP(=O)(O)O	F3H	1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-altritol
+CC1O[Rh+]([Rh+](O1)(O)(O)O)(O)(O)O	F3I	(mi2-acetato-o, o')-hexaaquo-dirhodium (ii)
+CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCC7	F3J	11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)Br	F3K	ruthenium (bis-(tetraazaphenanthrene)) (11-bromo-dipyridophenazine)
+COC(=O)C[C@@H]([C@H](C(F)(F)F)N)O	F3M	methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-l-threo-pentonate
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N	F3N	3'-deoxy-3'-(l-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)
+c1ccc(cc1)C[C@@H](C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N	F3O	3'-o-l-phenylalanyladenosine 5'-(dihydrogen phosphate)
+CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O	F3P	(1s)-1-[(1s)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate
+c1ccc(cc1)N(c2ccc(cc2)O)C(=O)c3cc(n4c3CCCC4)c5cc6c(cc5C(=O)N7Cc8ccccc8C[C@H]7CN9CCOCC9)OCO6	F3Q	~{n}-(4-hydroxyphenyl)-3-[6-[[(3~{s})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{n}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
+S1[Fe]2S[Fe]3[S]2[Fe]1S3	F3S	fe3-s4 cluster
+C([C@@H]([C@H](C(F)(F)F)N)O)C(=O)O	F3T	4-amino-2,4,5-trideoxy-5,5,5-trifluoro-l-threo-pentonic acid
+CC(=O)CN	F3V	1-aminopropan-2-one
+c1cc(cc(c1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)/C=C/C#N	F3W	(~{e})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile
+c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccncc7	F3Z	(3~{r})-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-~{n}-(3-pyridin-4-yl-1~{h}-indazol-5-yl)pyrrolidine-3-carboxamide
+c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	F40	2-phenyl-3h-quinazolin-4-one
+c1cc2c(cc1NC(=O)CN3CCCCC3)OCO2	F41	n-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
+C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	F42	coenzyme f420
+C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O	F43	factor 430
+c1ccnc(c1)CCCc2ccccn2	F44	2,2'-(propane-1,3-diyl)dipyridine
+c1cc(nc(c1)C(=O)c2ccc(c(c2)O)F)c3ccc(c(c3)O)O	F45	[6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)OCCN6CCOCC6	F46	n-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide
+c1cc(ccc1Cc2nnc3n2nc(cn3)c4ccc(cc4)F)O	F47	4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol
+c1cc(oc1CCC#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4	F48	3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile
+COc1c(c(c(c(c1Br)Br)Br)Br)CN2C(=O)C=CN(C2=O)CC(=O)O	F49	[2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2h)-yl]acetic acid
+c1cc(ccc1C(=O)N)Nc2c3c([nH]cn3)ncn2	F4A	4-[(9h-purin-6-yl)amino]benzamide
+c1cc(oc1/C=C/C#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4	F4B	(~{e})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
+c1ccc(c(c1)CNC(=O)C2=CC(=NN(C2=O)c3ccc(cc3)F)c4ccncc4)C(F)(F)F	F4C	2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-n-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide
+[H]/N=C(\c1ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)NS(=O)(=O)c4ccc(cc4)F)/N	F4D	4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide
+COC(=O)c1cc2c([nH]1)cco2	F4E	methyl 4~{h}-furo[3,2-b]pyrrole-5-carboxylate
+CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(C)O	F4F	(5as,6r,9s,9as)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
+c1cc(cnc1)c2cnc3n2cccc3C(=O)N	F4G	3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide
+CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@@H]2F)O)COP(=O)(O)O	F4H	1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-mannitol
+c1cc2c(cc1Nc3c4c(nc[nH]4)ncn3)C=NC2=O	F4J	5-[(7h-purin-6-yl)amino]-1h-isoindol-1-one
+c1ccn(c1)c2ccc(cc2)CO	F4K	(4-pyrrol-1-ylphenyl)methanol
+CC1C(N(C2=C(N1)NC(=NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O	F4M	1-[4-({(1r)-1-[(6s,7r)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -o-{5-o-[(r)-{[(1r)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-ribitol
+Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-]	F4N	~{n}-[(~{e})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{n},2-dimethyl-5-nitro-benzenesulfonamide
+Cc1c2c(c3c(c1OC(=O)C)c(c(c(c3O)C)OC)C(=O)/C(=C/[C@@](C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@@H](/C=C\C=C(\C(=O)N2)/C)C)O)C)O)C(=O)OC)O)C)O)(C)O)/C)O	F4O	6-methoxy-streptovaricin c
+c1cc(ccc1C(c2ccc(cc2)F)N3CCN(CC3)C(=O)n4cncn4)F	F4P	1-[bis(4-fluorophenyl)methyl]-4-(1h-1,2,4-triazol-1-ylcarbonyl)piperazine
+c1nc2c(n1[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)OP(=O)(O)O)O)N=C(NC2=O)N	F4Q	[(1~{s},2~{r},4~{r},6~{s},8~{r})-8-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate
+CCCCCCCCCCCCNC=S	F4R	n-dodecylmethanethioamide
+[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3	F4S	fe4-s3 cluster
+COc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2N3CCCCCC3)C(=O)OC	F4T	methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate
+c1cc2c(cc1O)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O	F4U	2-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione
+C1Cc2c(sc3c2C(=O)NC(=N3)CCC(=O)O)C1	F4W	3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid
+CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CCCCCCCC(=O)O)C	F4X	8-[2-[(e)-2-[4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid
+c1c(c(nc(c1Cl)Cl)O)Cl	F4Z	 3,5,6-trichloro-2-pyridinol
+CC(=O)OO	F50	ethaneperoxoic acid
+Cc1c(c2ccncc2nc1c3ccc(cc3)c4ccccc4)C(=O)O	F51	2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid
+c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O	F52	2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	F53	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate
+Cc1ccc(c(n1)Cl)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)O)C	F54	2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl	F55	n-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(C=CNC1=O)O	F56	3-[(e,2s,4s)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1h-pyridin-2-one
+CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O	F57	(2r)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate
+C1CCC(CC1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	F58	n-[(cyclohexylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+c1ccc(cc1)c2ccc(cc2)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	F59	n-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl	F5A	2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid
+c1c(c(c(c(c1F)F)F)F)F	F5B	1,2,3,4,5-pentafluorobenzene
+C(=C/C(=O)O)\c1c(c(c(c(c1F)F)F)F)F	F5C	penta-fluorocinnamic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OC(=O)CCCCC4C5[C@H](CS4)N[C@H](N5)O)OP(=O)(O)OP(=O)(O)O)O)O)N	F5D	5'-o-[(s)-({5-[(2r,3as,4s,6ar)-2-hydroxyhexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy){[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]adenosine
+CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cn(n2)C	F5E	~{n}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide
+C[C@@H]1C[C@@H]([C@H]([C@@H](C1)C=C)C2=C(C=CNC2=O)O)C	F5F	3-[(1r,2s,4r,6s)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1h-pyridin-2-one
+C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC=O	F5G	(2r,3r,4s,5r,6s)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)[C@H](C)OP(=O)(O)O	F5H	3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-o-phosphono-d-glycero-l-altro-heptitol
+CC1O[Rh+]2(OC(O[Rh+]2(O1)(O)O)C)(O)O	F5I	cis-bis(mi2-acetato-o, o')-tetraaquo-dirhodium(ii)
+c1ccc(cc1)[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O	F5J	7-[(5r)-5-c-phenyl-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C	F5L	(1r,2s)-1-hydroxy-2-{[n-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1cc(c(cc1N2C(=O)C=CC2=O)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O	F5M	5-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid
+c1ccc(cc1)NC(=O)Cc2cn3ccccc3n2	F5N	2-(imidazo[1,2-a]pyridin-2-yl)-n-phenylacetamide
+CC1=C(C(=O)N(C(=O)N1Cc2c(cccc2F)C(F)(F)F)C[C@@H](c3ccccc3)NCCCC(=O)O)c4cccc(c4F)OC	F5O	4-[[(1r)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid
+C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N	F5P	(2r,3r,4s,5r,6s)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3c4cccnc4ccc3N5CCCC5	F5Q	4-[4-(1-methylpiperidin-4-yl)butyl]-~{n}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide
+[H]/N=C(\c1ccc(cc1)Br)/N	F5R	4-bromanylbenzenecarboximidamide
+C[C@@H]1C[C@@H]2C(O2)/C=C\C=C\C(=N\OCc3ccc(cc3)OC)\Cc4cc(cc(c4C(=O)O1)O)O	F5S	(1ar,2z,4e,6e,14r,15ar)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12h-oxireno[e][2]benzoxacyclotetradecin-12-one
+CC1O[Rh+]23(OC(O[Rh+]2(O1)(OC(O3)C(F)(F)F)O)C)O	F5T	cis-bis(mi2-acetato-o, o')-(mi2-trifluoroacetato-o, o')-diaquo-dirhodium (ii)
+COc1ccc2c(c1)c(c[nH]2)CCN	F5U	2-(5-methoxy-1h-indol-3-yl)ethanamine
+Cn1cc(cn1)c2ccc3c(c2)C(=CN(C3=O)C)c4cccc(c4)NS(=O)(=O)C	F5V	n-{3-[2-methyl-6-(1-methyl-1h-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide
+COc1ccc2c(c1)[nH]cc2CCN	F5X	2-(6-methoxy-1h-indol-3-yl)ethanamine
+CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc(cc3)c4cnn(c4)C)C)OC	F5Y	4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1h-pyrazol-4-yl)isoquinolin-1(2h)-one
+CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cccn2	F5Z	4-[4-(1-methylpiperidin-4-yl)butyl]-~{n}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide
+c1cc(cc2c1cc[nH]2)O	F60	1h-indol-6-ol
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCC)O)O	F61	n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide
+CC1=CC(=O)N(c2c1cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C	F62	n-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
+CNCc1ccc(o1)Oc2cccnc2	F63	n-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine
+C[C@](CCN1CC=C(CC1=O)c2ccc(cc2)OCc3cc(c(nc3)OC)Cl)(C(=O)NO)S(=O)(=O)C	F64	(2s)-4-[4-{4-[(5-chloro-6-methoxypyridin-3-yl)methoxy]phenyl}-2-oxo-3,6-dihydropyridin-1(2h)-yl]-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3cc(ccc3N4CCCCCC4)C(=O)OC	F65	methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate
+Cc1c(c2ccccc2[nH]1)CCN	F66	2-(2-methyl-1h-indol-3-yl)ethanamine
+C[C@@H]1c2cc(ccc2C(=O)N1)Nc3ccncn3	F67	(3r)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1h-isoindol-1-one
+Cc1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	F68	n-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+c1ccc(c(c1)CO)c2cccs2	F69	(2-thiophen-2-ylphenyl)methanol
+c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3C(F)(F)F	F6A	n-biphenyl-3-yl-2-(trifluoromethyl)benzamide
+c1cc(c(c(c1)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F	F6B	n-(2,6-difluoro-benzyl)-4-sulfamoyl-benzamide
+CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C=O)C=C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCCC(C)CCCC(C)C)C(=O)OC)C)C	F6C	chlorophyll f
+Cc1cc(n2c(n1)nc(n2)N[C@H](CC#N)c3cccc(c3)Cl)NC[C@H](c4ccccc4OC)N	F6D	(3r)-3-[(7-{[(2s)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile
+CCCN1CCN(C[C@@H](C1=O)Cc2ccc(cc2)c3ccccc3)C(=O)c4c[nH]cn4	F6E	(6~{s})-1-(1~{h}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
+c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F	F6F	2-{[4-(trifluoromethoxy)benzoyl]amino}ethyl dihydrogen phosphate
+C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	F6G	6-amino-3-{2-deoxy-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1h)-one
+CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]([C@H]2F)O)[C@@H](C)OP(=O)(O)O	F6H	3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-o-phosphono-d-glycero-l-allo-heptitol
+CC(C)Cc1cc(ccc1C(=O)O)c2c[nH]c3c2cc(cn3)c4ccccc4	F6J	2-(2-methylpropyl)-4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
+C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCCCl)O	F6K	homosalinosporamide a - bound form
+CC1(c2ccccc2[N+](=C1/C=C/c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)Cc5ccc(cc5)C(=O)O)C	F6L	4-[[2-[(e)-2-[4-[(2s,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2h-indol-1-yl]methyl]benzoic acid
+CCCNc1c(cnc(n1)Nc2ccc(cc2)C#N)C#CCCCNC(=O)[C@H](C)N(C)C(=O)C=CCN(C)C	F6M	n-[(2s)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-n-methyl-but-2-enamide
+c1c(nc(o1)CN)C(=O)O	F6N	2-(aminomethyl)-1,3-oxazole-4-carboxylic acid
+CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C	F6O	n4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O	F6P	6-o-phosphono-beta-d-fructofuranose
+c1ccc2c(c1)n(c-3[n+]2[Pd]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O	F6Q	n,n-pyridylbenzimidazole derivative-pd complex
+C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O	F6R	fructose -6-phosphate
+C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3c(cccc3F)F	F6T	(3~{s})-3-[2,6-bis(fluoranyl)phenyl]-~{n}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
+C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O	F6U	[(2r,3r)-3-[2-(6-aminopurin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
+c1ccc(cc1)CCSc2ccc(cc2)S(=O)(=O)N	F6W	4-(2-phenylethylsulfanyl)benzenesulfonamide
+C[C@H]([C@@H](CO)NC(=O)CN1C=CC(=NC1=O)N)OP(=O)(O)O	F6X	[(2r,3r)-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
+c1cc2c(cc1C(=O)O)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O	F6Y	3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid
+c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O	F6Z	3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
+c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)OCC#N	F70	cyanomethyl 4-(4-oxo-4h-chromen-2-yl)benzoate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(s3)c4ccno4	F71	3-hydroxy-n-[(2s,3r)-3-hydroxy-4-([(2s)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino)-1-phenylbutan-2-yl]benzamide
+c1ccc(cc1)C[C@@H]([C@@H](C[N@](CC2CCCCC2)S(=O)(=O)c3ccc4c(c3)scn4)O)NC(=O)c5cccc(c5)O	F72	n-{(2s,3r)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide
+C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)OP(=O)(O)O	F73	[(2r,3r)-3-[2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate
+C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Cl)C(=O)N=C(N3)N)COP(=O)(O)O)O	F74	8-chloro-2'-deoxyguanosine 5'-(dihydrogen phosphate)
+c1c(nc(s1)CN)C(=O)O	F75	2-(aminomethyl)-1,3-thiazole-4-carboxylic acid
+c1ccc2c(c1)c(c3c(n2)CCCCC3)C(=O)OCC(=O)Nc4ccc(cc4)S(=O)(=O)N	F76	2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6h-cyclohepta[b]quinoline-11-carboxylate
+CCc1ccc(c(c1C)C(=O)O)NS(=O)(=O)c2ccc(cc2)F	F77	3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid
+COc1ccc(cc1)S(=O)(=O)[N@@](CCCc2ccccc2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O)O	F78	3-hydroxy-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide
+CCc1ccc(c(c1OCCN)C(=O)O)NS(=O)(=O)c2ccc(cc2)F	F79	2-(2-aminoethoxy)-3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}benzoic acid
+c1ccc(cc1)Oc2cccc(c2)NC(=O)c3ccccc3C(F)(F)F	F7A	n-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide
+c1cc2c(cc1Cl)C(=O)CCS2	F7B	6-chloranyl-2,3-dihydrothiochromen-4-one
+[C@H](C(=O)C(=O)O)(C(=O)O)O	F7C	(2~{s})-2-oxidanyl-3-oxidanylidene-butanedioic acid
+C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)CC#C	F7D	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+C[C@@H]1C(=O)[C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O	F7E	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},6~{r})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphate
+Cc1cc2c(cc1C)N3[C@@]4(O3)C(=O)NC(=O)N=C4N2C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O	F7F	3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)O)O	F7H	4-azanyl-1-[(1~{s},2~{r},4~{s},6~{s},8~{r})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one
+c1ccc(cc1)CNC(=O)c2ccc-3cc2OCCOCCNc4ccn5c(c3cn5)n4	F7I	~{n}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
+Cc1c(ccc2c1c(cn2C)C3CCN(CC3)C(=O)C4CCCC4)NC(=O)c5cccc(c5)C#N	F7J	3-cyano-n-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1h-indol-5-yl}benzamide
+c1nc2c(n1[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)O)O)N=C(NC2=O)N	F7K	2-azanyl-9-[(1~{s},2~{r},4~{s},6~{s},8~{r})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{h}-purin-6-one
+c1ccc(c(c1)COC[C@H](CN2CCCC2)O)F	F7L	(2s)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol
+Cn1cc(c2c1ccc(c2)NC(=O)c3cc(ccn3)C#N)C4CCN(CC4)C(=O)C5CCCCC5	F7M	4-cyano-n-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1h-indol-5-yl}pyridine-2-carboxamide
+CC(C)[C@@]1(CC[C@H](C1)[NH2+][C@H]2CCOC[C@H]2OC)C(=O)N3CCc4c(cc(cn4)C(F)(F)F)C3	F7N	[(3~{s},4~{s})-3-methoxyoxan-4-yl]-[(1~{r},3~{s})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{h}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium
+c1nc(c2c(n1)n(cn2)CC(=O)N[C@H](CO)COP(=O)(O)O)N	F7O	[(2r)-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
+C[C@H](C(C)(C)n1cc(c2c1cccc2)C[C@@H](C(=O)O)N)O	F7P	1-[(3r)-3-hydroxy-2-methylbutan-2-yl]-l-tryptophan
+C1=CC(C=CC1=O)(C[C@@H](C(=O)O)N)OO	F7Q	(2~{s})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid
+C1=CN(C(=O)N=C1N)CC(=O)N[C@H](CO)COP(=O)(O)O	F7R	[(2r)-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
+C[C@@H](C[C@@H](C(=O)O)NC)CO	F7S	(4s)-5-hydroxy-n-methyl-l-leucine
+c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O	F7T	alkylated sulphonate-n,n-pyridylbenzimidazole-pt complex
+c1nc2c(n1CC(=O)NC(CO)CO)N=C(NC2=O)N	F7U	2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-n-[1,3-bis(oxidanyl)propan-2-yl]ethanamide
+C/C=C/C[C@@H](C(=O)O)N	F7V	(2s,4e)-2-aminohex-4-enoic acid
+c1cc2c(c[nH]c2c(c1)F)C[C@@H](C(=O)O)N	F7W	7-fluorotryptophan
+c1nc2c(n1CC(=O)N[C@H](CO)COP(=O)(O)O)N=C(NC2=O)N	F7X	[(2r)-2-[2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
+Cc1cc(nc(n1)Nc2ccc(c(c2)C3=CCNCCC3)OC)NC	F80	n2-[4-methoxy-3-(2,3,4,7-tetrahydro-1h-azepin-5-yl)phenyl]-n4,6-dimethyl-pyrimidine-2,4-diamine
+COc1cccc(c1O)Br	F81	2-bromo-6-methoxyphenol
+CC(C)n1cc(cn1)NC(=O)Cc2ccc(cc2OC)Oc3c4cc(c(cc4ncn3)OC)OC	F82	2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{n}-(1-propan-2-ylpyrazol-4-yl)ethanamide
+c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CN[C@H](C3)CO)Cl	F83	(3r)-n-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
+CC(C)(C)c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	F85	n-[(4-tert-butylbenzoyl)carbamoyl]-beta-d-glucopyranosylamine
+c1cc(n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C#N	F86	[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)CC#C	F87	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC	F88	~{n}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
+CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O	F89	s)-2-(5(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid
+c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3)C(F)(F)F	F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1h-carbazole-8-carboxylic acid
+CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC	F8B	~{n}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C	F8C	(1s,2s)-1-hydroxy-2-{[n-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cc(ccc3O2)Cl)CO	F8D	1-[(3s,3as,8bs)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1h-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one
+COC(=O)c1cc(ccc1Br)Nc2c3cc[nH]c3ncn2	F8E	methyl 2-bromo-5-(7h-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate
+[C@@H]1(C(C([C@H](OC1O)C(=O)O)O)O)N	F8F	(2s,5s)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid
+C[C@@H]1CCC(=C([C@@]12CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)O	F8G	s-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5r,10r)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name)
+CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Nc3c4c(cc(cc4F)OCCOC)ncn3	F8H	~{n}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
+CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc3ccn4c(c2cn4)n3	F8I	~{n}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
+CC(C)NC(=O)Cn1cc(c2c1cc(cc2)NC(=S)NCCc3c[nH]c4c3cccc4)CN5CCN(CC5)C	F8J	2-{6-({[2-(1h-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1h-indol-1-yl}-n-(propan-2-yl)acetamide
+C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2OC)c3cccc(c3)OC	F8K	[4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
+CC(=CCCC(=CCCC(=CCC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C\COP(=O)(O)O[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)/C)/C)/C)/C)/C)/C)/C)C)C)C	F8L	[(2z,6e,10e,14z,18e,22z,26z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2s,3s,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate
+CN(C)CCCc1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O	F8M	2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
+COc1cccc(c1)c2cccc(c2)CC3(CCOCC3)C(=O)NCCCn4ccnc4	F8N	~{n}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
+c1cc2c(cc1C3CCC(CC3)(F)F)C(=O)c4cc(c(nc4O2)N)C(=O)O	F8P	2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
+C[NH+](C)Cc1ccc(cc1)Nc2ccc(c(c2OC)F)c3cccc(c3)OC	F8Q	[4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
+CC(C)S(=O)(=O)c1ccccc1Nc2c3c(cc[nH]3)nc(n2)Nc4cc5c(cc4OC)CCN5C(=O)CN(C)C	F8R	2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5h-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone
+c1cc2c(cc1C3CCS(=O)(=O)CC3)C(=O)c4cc(c(nc4O2)N)C(=O)O	F8S	2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
+C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2)c3cccc(c3)OC	F8T	[4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
+C([C@@H]([C@H](CS(=O)(=O)O)O)O)S(=O)(=O)O	F8U	(2r,3r)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid
+CS[C@]1(CCN(C1)CC(=O)N2CCN(CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccc(cc7)F	F8V	(3s)-n-[3-(4-fluorophenyl)-1h-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide
+c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O)O	F8W	4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid
+[C@@H]1([C@@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N	F8X	2-amino-2-deoxy-beta-d-altropyranuronic acid
+CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)[C@H]1C)CC#C	F8Y	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+C[C@H]1CN(C(=O)c2cc(ccc2O[C@H]1CN(C)Cc3ccc4c(c3)OCO4)NC(=O)Nc5ccc(cc5)OC)[C@@H](C)CO	F8Z	1-[(2~{r},3~{s})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{s})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{h}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
+[H]/N=C(\N)/SCc1ccc(cc1)Cl	F90	4-chlorobenzyl carbamimidothioate
+c1cc2c(cc1NCc3ccncc3)OCCO2	F91	n-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
+c1cc(ccc1c2c(n(cn2)C3CCC(CC3)O)c4ccnc(n4)N)F	F92	4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol
+c1cc(c(cc1[C@@H]([C@H](C(=O)O)N)O)Cl)O	F93	(2r,3s)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid
+c1cc(cc(c1)O)C2=CC(=O)c3ccc(cc3O2)O	F94	7-hydroxy-2-(3-hydroxyphenyl)-4h-chromen-4-one
+c1cc(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O	F95	(7,8-dihydroxy-2-oxo-2h-chromen-4-yl)acetic acid
+CC(C)n1c2cc(ncc2cn1)Nc3cc(nc(n3)N4CCC(C4)(F)F)[C@@H]5CCNC5	F97	n-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3r)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1h-pyrazolo[4,3-c]pyridin-6-amine
+CC(=O)N(CCCP(=O)(O)O)O	F98	3-[ethanoyl(hydroxy)amino]propylphosphonic acid
+CN(C)Cc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F	F9A	n-{3-[(dimethylamino)methyl]phenyl}-2-(trifluoromethyl)benzamide
+c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O	F9B	2-[[(2~{s})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol
+C#CC[C@H](C(=O)O)N	F9D	(2r)-2-aminopent-4-ynoic acid
+CC(C)[C@@H](C(=O)OC[C@H](CO)OCn1cnc2c1NC(=NC2=O)N)N	F9E	[(2~{s})-2-[(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{s})-2-azanyl-3-methyl-butanoate
+c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O	F9F	2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate
+COc1ccc(cc1O)Br	F9G	5-bromo-2-methoxyphenol
+Cc1cc([nH]n1)Nc2nc(c(c(n2)O[C@@H](C)c3ncc(cn3)F)F)N4CCOCC4	F9J	5-fluoro-4-[(1s)-1-(5-fluoropyrimidin-2-yl)ethoxy]-n-(5-methyl-1h-pyrazol-3-yl)-6-morpholino-pyrimidin-2-amine
+CN1CCC[C@H](C1=O)C(=O)N[C@H]2CCCCCCCNc3ccc(cc3S(=O)(=O)NC(=O)[C@]4(C[C@H]4C=C)NC(=O)[C@@H]5C[C@H](CN5C2=O)OC(=O)N6Cc7cccc(c7C6)F)F	F9K	(1'r,2r,2's,6s,24as)-17-fluoro-6-(1-methyl-2-oxopiperidine-3-carboxamido)-19,19-dioxido-5,21,24-trioxo-2'-vinyl-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24a-octadecahydrospiro[benzo[s]pyrrolo[2,1-g][1,2,5,8,18]thiatetraazacycloicosine-22,1'-cyclopro-2-carboxylatepan]-2-yl 4-fluoroisoindoline
+CN(C)CCCNS(=O)(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3	F9N	3-[[6-(cyclohexylmethoxy)-7~{h}-purin-2-yl]amino]-~{n}-[3-(dimethylamino)propyl]benzenesulfonamide
+C1CCC(CC1)C(=O)NO	F9P	n-hydroxycyclohexanecarboxamide
+Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F	F9Q	6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O	F9R	digitoxin
+c1ccc(cc1)CCCCOCCCCCCNCC(=O)c2ccc(c(c2)CO)O	F9S	1-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-{[6-(4-phenylbutoxy)hexyl]amino}ethan-1-one
+CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)Oc3cccc(n3)O	F9T	6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol
+C[C@]12CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@@H]3CCC4=O)C	F9U	(3z,5r,8r,9s,10r,13s,14r)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione
+c1ccc(cc1)C(CC(=O)O)C(=O)O	F9V	(2s)-2-phenylbutanedioic acid
+c1c(cc(cc1F)F)O[C@H]2C=C([C@@H]([C@@H]([C@H]2O)O)O)CO	F9W	(1~{r},2~{s},3~{s},6~{s})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
+CC[C@H]([C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O)O	F9X	(2s,3r)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid
+c1cc(cc2c1cc[nH]2)C#N	F9Y	1h-indole-6-carbonitrile
+CN1CC[C@@H]([C@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O	F9Z	2-(2-chlorophenyl)-8-[(3~{r},4~{r})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N	FA	folic acid
+c1cc(c(cc1F)N)C(=O)O	FA0	2-amino-4-fluorobenzoic acid
+C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O	FA1	2,3 -anhydro-quinic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)(O)O)O)N	FA2	5-(6-amino-9h-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate
+C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O	FA3	2-anhydro-3-fluoro-quinic acid
+[H]/N=C(/N)\NCc1ccccc1CCCCCCCCCC(=O)N[C@H](CCCCN)C(=O)NO	FA4	sm-25453
+c1ccc(cc1)C[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	FA5	adenosine-5'-[phenylalaninyl-phosphate]
+C1[C@H]([C@@H](/C(=N/O)/C[C@]1(C(=O)O)O)O)O	FA6	3-hydroxyimino quinic acid
+CC(C)C\C=C\C=C/C(=O)O	FA7	(2z,4e)-7-methylocta-2,4-dienoic acid
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@H]3N2)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FA8	[[(2r,3s,4s)-5-[(4as)-7,8-dimethyl-2,4-dioxo-4a,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
+Cc1cc2c(cc1C)N3C(=O)CC([C@@]34[C@@H](N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8	FA9	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(3r,3as,7ar)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1h-benzo[g]pyrrolo[2,1-e]pteridin-8(4h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)Cc7ccc(cc7)O	FAA	n5-(4-hydroxybenzyl)flavin-adenine dinucleotide
+Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)C(=O)C(C)C	FAB	flavin-adenine dinucleotide-n5-isobutyl ketone
+C(C(F)(F)F)(C(F)(F)F)(O)O	FAC	1,1,1,3,3,3-hexafluoropropanediol
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FAD	flavin-adenine dinucleotide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O	FAE	flavin-n7 protonated-adenine dinucleotide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C=O)NC(=O)C	FAF	2-acetylamino-4-methyl-pentanoic acid (1-formyl-2-phenyl-ethyl)-amide
+COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O	FAG	[1',2'-dideoxy[2-amino-5-([9-hydroxy-aflatoxinb2-8-yl]-formyl-amino)-6-oxo-1,6-ihydro-pyrimidin-4-ylamino]-ribofuranose]-5-monophosphate group
+C(C(=O)O)F	FAH	fluoroacetic acid
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N	FAI	5-(formylamino)-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxamide
+Cc1cc2c(cc1C)N3[C@@H](C[C@@H]([C@]34C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8ccccc8)O	FAJ	fad-trans-2-phenylcyclopropylamine adduct
+C(CCNC(=O)C(F)(F)F)C[C@@H](C(=O)O)N	FAK	n~6~-(trifluoroacetyl)-l-lysine
+CN(C)C[C@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O	FAL	(2r)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@H](C(=O)N)F)O	FAM	alpha-fluoro-amidocarboxymethyldethia coenzyme a complex
+c1ccc(cc1)NC=O	FAN	formanilide
+Cc1cc2c(cc1C)[N@@]([C@@H]3[C@H](N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FAO	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[(4as,10ar)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+CN(C)C[C@@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O	FAP	(2s)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)Cc4ccccc4)O	FAQ	phenylacetyl coenzyme a
+C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	FAR	farnesyl
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FAS	arabino-flavin-adenine dinucleotide
+CCCCCCCCCCCCCCCC(=O)O	FAT	1-hexyldecanoic acid
+CN(c1ccccc1Cl)C(=O)c2cc3c(s2)-c4ccccc4OC3	FAV	n-(2-chlorophenyl)-n-methyl-4h-thieno[3,2-c]chromene-2-carboxamide
+CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC	FAW	(2s)-3-hydroxypropane-1,2-diyl ditetradecanoate
+c1nc(c(c(n1)N[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(O)O)NC=O)N	FAX	[(1r,2s,4r)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate
+Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FAY	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate
+CC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccccc4Cl	FAZ	8-(acetylamino)-n-(2-chlorophenyl)-n-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
+C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=CC=O)CCO1)(C(=O)N2)O)O)O	FB	5a-formylbicyclomycin
+C[C@H](CCN)[C@@H](C)CCN(C[C@@H]([C@@H]([C@@H](COP(=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O)O)CNC(=O)NC(=O)C	FB0	(2r,3s,4s)-5-({[(acetylcarbamoyl)amino]methyl}[(3s,4r)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+c1ccc(c(c1)S(=O)(=O)N)Cl	FB1	2-chlorobenzenesulfonamide
+c1ccc(cc1)S(=O)(=O)N	FB2	benzenesulfonamide
+c1cc(c(cc1Cl)N)Oc2ccc(cc2O)Cl	FB4	2-(2-amino-4-chlorophenoxy)-5-chlorophenol
+B(CCCC[C@@](C(F)F)(C(=O)O)N)(O)O	FB5	2-(difluoromethyl)-6-(dihydroxyboranyl)-l-norleucine
+B(CCCCC(C)(C(=O)O)N)(O)O	FB6	6-(dihydroxyboranyl)-2-methyl-l-norleucine
+c1c(cc(nc1N2CCOCC2)N3CCOCC3)c4cnc(cc4C(F)(F)F)N	FB7	5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
+Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)C	FB8	4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{n}-(4-methylsulfonylphenyl)pyrimidin-2-amine
+COC[C@@H]1[C@@H]([C@H]2N1C[C@@H]([C@@H](CN(C2)C(=O)Nc3ccc(cc3)OC4CC4)O)O)c5ccc(cc5)C#Cc6ccccc6	FB9	(3s,4r,8r,9r,10s)-n-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
+c1cc(ccc1C[NH3+])F	FBA	4-fluorobenzylamine
+c1cc2c(cc1F)sc(n2)N	FBB	6-fluoro-1,3-benzothiazol-2-amine
+c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O	FBC	3',5'-difluorobiphenyl-4-carboxylic acid
+c1cc(ccc1CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F	FBD	n-({(1r)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-l-glutamic acid
+C(/C=C/CN)C(=O)O	FBE	(3e)-5-aminopent-3-enoic acid
+[H]/N=C(/c1ccc(cc1)C(F)(F)F)\N	FBF	4-(trifluoromethyl)benzenecarboximidamide
+c1c(cc(c2c1COCO2)C(=O)O)F	FBG	6-fluoro-4h-1,3-benzodioxine-8-carboxylic acid
+CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O	FBI	7-[4-(4-fluoro-phenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl] -3,5-dihydroxy-heptanoic acid
+C1CC=C(C1)C(=O)NO	FBJ	n-hydroxycyclopent-1-ene-1-carboxamide
+c1cc(cc(c1)C(=O)O)c2cccc(n2)c3cccc(c3)O	FBK	3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid
+CN(C)C[C@@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O	FBL	(2s)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
+C1CCC(=CC1)C(=O)NO	FBM	n-hydroxycyclohex-1-ene-1-carboxamide
+c1c(cc(c(c1C(=O)NCc2cn(nn2)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)[N+](=O)[O-]	FBN	5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1h-1,2,3-triazol-1-yl]adenosine
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)NO)N	FBO	l-phenylalanyl-n6-[(benzyloxy)carbonyl]-n1-hydroxy-l-lysinamide
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O	FBP	1,6-di-o-phosphono-beta-d-fructofuranose
+Cc1c(c(c2c(n1)cccc2F)N)CSCc3cccc(c3)C(C(F)(F)F)(O)O	FBQ	1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]thio}methyl)phenyl]-2,2,2-trifluoroethane-1,1-diol
+CCCC[C@@]12CCC(=O)C(=C1c3ccc(cc3C2)O)Br	FBR	(9as)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3h-fluoren-3-one
+c1cc(ccc1F)S(=O)(=O)N	FBS	4-fluorobenzenesulfonamide
+c1cc(c(c(c1)F)S(=O)(=O)N)F	FBT	2,6-difluorobenzenesulfonamide
+c1c(cc(cc1F)S(=O)(=O)N)F	FBU	3,5-difluorobenzenesulfonamide
+c1ccc(c(c1)F)S(=O)(=O)N	FBV	2-fluorobenzenesulfonamide
+c1cc(cc(c1)S(=O)(=O)N)F	FBW	3-fluorobenzenesulfonamide
+CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F	FBX	ethyl n-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
+CCCCN1c2cnc(nc2N([C@@H](C1=O)C)C)Nc3cc(c(c(c3)F)O)F	FBY	(7r)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5h)-one
+C[C@@H](CC(=O)O)c1ccccc1	FBZ	(3s)-3-phenylbutanoic acid
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)O	FC0	n-carboxy-l-phenylalanine
+CN(C)CCCOC1=CC(=O)Sc2c1cccc2	FC1	thiocoumarin
+c1cc(c(cc1Cl)c2ccc(o2)C(=O)O)Cl	FC2	5-(2,5-dichlorophenyl)-2-furoic acid
+c1ccc(c(c1)c2ccc(o2)C(=O)O)C(F)(F)F	FC3	5-[2-(trifluoromethyl)phenyl]-2-furoic acid
+C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl	FC4	(2r)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide
+c1cc2c(cc1O)C=CC(=S)O2	FC5	6-hydroxy-2h-chromene-2-thione
+C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N	FC6	hexacyanoferrate(3-)
+C[C@@H]1[C@@H]2CC[C@@H](C2=C[C@]3([C@@H]4[C@@H](CCO4)C(=C3[C@H]([C@@H]1O)O[C@@H]5[C@@H]([C@H]([C@H]6[C@H](O5)COC(O6)(C)C)O)O)C(C)C)C)COC	FC7	fusicoccin a-thf
+CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N	FC8	~{n}2-[(1~{r},2~{s})-2-azanylcyclohexyl]-~{n}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine
+c1cc(ccc1n2cc(nn2)CNC(=S)Nc3ccc(c(c3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O)S(=O)(=O)N	FC9	2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1h-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	FCA	alpha-d-fucopyranose
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	FCB	beta-d-fucopyranose
+c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4ccncc4)Cc5ccncc5	FCC	1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
+c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl	FCD	5-(2-chlorophenyl)furan-2-carboxylic acid
+CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NC(CCCN(O3)C(=O4)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCN1O5)C(=O)N6)C	FCE	ferrichrome
+c1cc(cc(c1)C(=O)O)\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2	FCF	3-[(1e,7e)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
+Cc1cc2c(cc1C)[N@]3[C@@H](CC[C@@]34C(N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4O)O	FCG	(n5,c4a)-(alpha-hydroxy-propano)-3,4,4a,5-tetrahydro-flavin-adenine dinucleotide
+c1ccc(cc1)C[C@@H]([C@@H](CNCC2CCCCC2)O)N	FCH	(2r,3s)-3-amino-1-[(cyclohexylmethyl)amino]-4-phenylbutan-2-ol
+CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C	FCI	ferricrocin-iron
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N	FCJ	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine
+c1cc(cc(c1)C(=O)O)CNCCCON=CC2=CC(=O)NC(=O)N2	FCK	3-({[3-({[(1e)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid
+c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N	FCL	3-chloro-l-phenylalanine
+CCc1cc(c2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC)F	FCM	(9as)-8-acetyl-n-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
+C[C@H]1[C@H](O1)P(=O)(O)O	FCN	fosfomycin
+C(#N)[Fe](=C=O)C#N	FCO	carbonmonoxide-(dicyano) iron
+CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O	FCP	(2r)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
+CC(C)c1c2c(c(nc(n2)SCCN)NCc3ccc(cc3)c4ccccn4)n[nH]1	FCQ	5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{n}-[(4-pyridin-2-ylphenyl)methyl]-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+c1cc(ccc1C(F)(F)F)O	FCR	alpha,alpha,alpha-trifluoro-p-cresol
+C[C@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)CC#C	FCS	(7s)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)F)O)CO)CO)O)O)O)O	FCT	deoxy-2-fluoro-b-d-cellotrioside
+c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cc(cc(c2)F)c3ccccn3	FCV	3-fluoro-n'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide
+c1cc2c(cc1C3CCCCC3)CC(=O)N2	FCW	5-cyclohexyl-1,3-dihydroindol-2-one
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@@H](C(=O)O)F)O	FCX	alpha-fluoro-carboxymethyldethia coenzyme a complex
+C([C@@H](C(=O)O)N)S	FCY	free cysteine
+Cc1c2c(nn(c2nc(n1)N)C(C)C)c3ccc4c(c3)nc(o4)N	FCZ	5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCCC[C@@H]2C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N	FD1	n-alpha-(2-naphthylsulfonyl)-n-(3-amidino-l-phenylalaninyl)-d-pipecolinic acid
+[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O)c3ccc4ccccc4c3)\N	FD2	n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic acid methyl ester
+[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCNCC2)NS(=O)(=O)c3ccc4ccccc4c3)\N	FD3	n-alpha-(2-naphthylsulfonyl)-3-amidino-l-phenylalanine piperazide
+CC(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3	FD4	n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)-4-acetyl-piperazine
+Cc1cc2c(cc1C)N(C3=NC(=O)N(C(=O)C3=N2)OCCS(c4ccc(cc4)NNc5c(cc6cc(c(c(c6c5N)O)NNc7ccc(cc7)S(C)(O)O)S(O)(O)O)S(O)(O)O)(O)O)CC(C(C(COP(=O)(O)O)O)O)O	FD5	[5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CN1CCN(CC1)NCCN2c3ccccc3Sc4c2cc(cc4)Cl	FD6	n-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine
+[H]/N=C(/NCC)\NC(=O)Nc1c(cccc1CC)CC	FD7	n-(2,6-diethylphenyl)-n'-(n-ethylcarbamimidoyl)urea
+c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F)F)C(F)(F)F	FD8	n-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide
+Cc1c(c(on1)C)Cn2cc(c3c2ccc(c3)Oc4ccc(cc4)NC(=O)[C@@H]5CCCN5)C#N	FD9	(2s)-n-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
+Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FDA	dihydroflavine-adenine dinucleotide
+Cc1c[nH]c2c1C(=O)NC(=N2)N	FDB	2-amino-5-methyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+C1C([O@@H][Fe]234[O@H]C(C[C@@]56[OH]2[Fe]7([OH]3[C@]1(CC([O@@H]7)[O])C([O@@H]4)[O])([O@H]C(C5)[O])[O@H]C6[O])[O])[O]	FDC	iron(iii) dicitrate
+Cc1c(c2cc3[n+]4c(cc5c(c(c6n5[Fe@@+3]47n2c1cc8[n+]7c(c6)C(=C8C)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C	FDD	fe(iii) 2,4-dimethyl deuteroporphyrin ix
+Cc1cc2n3c1C=C4C=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C	FDE	fe(iii) deuteroporphyrin ix
+C/C(=C\CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/CCC=C(CF)CF	FDF	(2e,6e)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
+C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)F)O)OP(=O)(O)O	FDG	2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7,9-dihydro-1h-purine-6,8-dione
+CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(n2)N)Cl	FDH	5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
+CCC(CC)C(=O)Nc1cc(ccc1NC(=O)C)C(=O)O	FDI	4-(n-acetylamino)-3-[n-(2-ethylbutanoylamino)]benzoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O	FDJ	5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+C1=C([C@@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO	FDK	(1~{s},2~{s},3~{s},4~{s})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
+CC1=CC(=O)Oc2c1ccc(c2)NC(=O)[C@H](CCCCNC(=O)C)N	FDL	n~6~-acetyl-n-(4-methyl-2-oxo-2h-chromen-7-yl)-l-lysinamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)F	FDM	3'-fluoro-3'-deoxythymidine monophosphate
+C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3F)F	FDN	(5s)-3-anilino-5-(2,4-difluorophenyl)-5-methyl-1,3-oxazolidine-2,4-dione
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O	FDP	2,6-di-o-phosphono-beta-d-fructofuranose
+C([C@@H]1[C@H]([C@@H]([C@@H](O1)CP(=O)(O)O)O)O)OP(=O)(O)O	FDQ	2,5-anhydro-1-deoxy-1-phosphono-6-o-phosphono-d-glucitol
+CC1=Nc2c(c3c(s2)CCC3)C(=O)N1	FDR	2-methyl-3,5,6,7-tetrahydro-4h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
+c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C(=O)O	FDS	fluorescin
+Cn1cc(nn1)[C@@H]2C(=CNC(=CS2)C(=O)O)C=O	FDT	(7r)-6-formyl-7-(1-methyl-1h-1,2,3-triazol-4-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid
+C#CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F	FDU	1-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1h,3h)-dione
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H](C)P(=O)(O)O)O)O	FDV	5'-o-[(r)-hydroxy({(r)-hydroxy[(1s)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine
+CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(n2)N)N	FDW	3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O	FDY	5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2	FDZ	1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea
+[Fe+3]	FE	fe (iii) ion
+C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)O	FE0	(1s,2s,3r,4r)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
+CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC	FE1	methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)piperidine-4-carboxylate
+[Fe+2]	FE2	fe (ii) ion
+c1cc(c(cc1C(=O)O)Cl)CCN	FE3	4-(2-aminoethyl)-3-chlorobenzoic acid
+CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N	FE5	5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
+c1cc(c(cc1Br)F)Cn2c3c(cn2)c(nc(n3)N)Cl	FE6	1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine
+CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(\c3ccccc3)/Nc4ccc(cc4)CN5CCCCC5)/C(=O)N2	FE7	n-{(3z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1h-indol-5-yl}ethanesulfonamide
+[H]/N=C(/N)\NCCC[C@@H]1C(=O)N[C@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4ccccc4CO)C(=O)N	FE8	(10~{s},14~{r},17~{s})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide
+CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S	FE9	iron-guanylyl pyridinol cofactor
+[N-]=[N+]=N[Fe]O[Fe]	FEA	monoazido-mu-oxo-diiron
+CCCCCCCCC[C@H](CC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)CO)O	FEB	n~2~-[(3r)-3-hydroxydodecanoyl]-l-asparaginyl-n~1~-[(1s)-1-(hydroxymethyl)-3-methylbutyl]-l-glutamamide
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)CCC(=O)O)C)C(=C3C)CCC(=O)O	FEC	1,3,5,8-tetramethyl-porphine-2,4,6,7-tetrapropionic acid ferrous complex
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)O)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O	FED	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-2,3,4-trihydroxy-5-[(4ar)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]pentyl dihydrogen diphosphate (non-preferred name)
+CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCC)O)O	FEE	n-{(1s,2s,3r)-1-[(alpha-d-galactopyranosyloxy)methyl]-2,3-dihydroxyoctyl}tetracosanamide
+c1ccc2c(c1)/C(=C/3\C(=N\OCC[C@H](CO)O)\c4ccccc4N3)/C(=O)N2	FEF	(2z,3e)-2,3'-biindole-2',3(1h,1'h)-dione 3-{o-[(3r)-3,4-dihydroxybutyl]oxime}
+Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H](C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O	FEG	5'-o-[(s)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine
+c1ccc(cc1)[C@H](CO)O	FEH	(1r)-1-phenylethane-1,2-diol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]([C@H](C(C)C)O)C(=O)O)O	FEJ	(2s,3s)-3-hydroxy-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic  acid (non-preferred name)
+C1=C([C@@H]([C@@H]([C@H](C1O)F)O)O)CO	FEK	(1~{s},2~{s},3~{s})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol
+[OH2][Fe+3]([OH2])[OH2]	FEL	hydrated fe
+C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567891([CH]3=[CH]5[C@H]64)[CH]2=[CH]7C8[CH]9=[CH]12	FEM	n-(2-ferrocenylethyl)maleimide
+CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C(=O)Nc2ccc(cc2)O)\C)\C	FEN	n-(4-hydroxyphenyl)all-trans retinamide
+O([Fe])[Fe]	FEO	mu-oxo-diiron
+c1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O	FEP	[(4-{4-[4-(difluoro-phosphono-methyl)-phenyl]-butyl}-phenyl)-difluoro-methyl]-phosphonic acid
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2C=C([C@@H]([C@@H]([C@H]2F)O)O)CO	FEQ	(1~{s},2~{s},5~{s},6~{r})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol
+COc1cc(ccc1O)\C=C\C(=O)O	FER	3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid
+S1[Fe]S[Fe]1	FES	fe2/s2 (inorganic) cluster
+COc1cc(ccc1Cn2c3c(cn2)c(nc(n3)N)Cl)C(F)(F)F	FEU	4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
+CC/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	FEV	(2e)-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid
+CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C	FEW	3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide
+CN(C)c1ccc(cc1)c2ccc(cc2)CN(c3cccc(c3)CCC(=O)OC)C(=O)C4CCCCC4	FEX	methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}acrylate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4	FEY	(1r,2s)-2-{[n-({[(2r,4r)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C/C/1=C/CC[C@](/C=C\[C@@H]([C@H](C1)OC(=O)c2ccc(cc2)O)C(C)C)(C)O	FEZ	(1s,2s,3z,5s,8z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate
+c1ccc(cc1)CCCNC[C@H]([C@H](Cc2ccccc2)N)O	FF0	(2r,3s)-3-amino-4-phenyl-1-[(3-phenylpropyl)amino]butan-2-ol
+Cc1cccc(c1CCNC(=O)c2cc(ccc2F)[C@H]3C(=C(NC(=O)N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C	FF1	(4~{s})-4-[3-[2-(2,6-dimethylphenyl)ethylcarbamoyl]-4-fluoranyl-phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide
+c1cc2c(cc(s2)C(=O)NO)c(c1)Cl	FF2	4-chloranyl-~{n}-oxidanyl-1-benzothiophene-2-carboxamide
+c1(nnc(s1)N)C(F)(F)S(=O)(=O)N	FF3	1-(5-amino-1,3,4-thiadiazol-2-yl)-1,1-difluoromethanesulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@@H](F)P(=O)(O)O)O)O	FF4	2'-deoxy-5'-o-[(r)-{[(r)-[(s)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+CC(=O)NCCCCOc1ccc(cc1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N	FF5	~{n}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O	FF7	5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine
+CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)[C@H](C)C(=O)O	FF8	(2s)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid
+CC/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	FF9	(2s)-2-azanyl-6-[(e)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C	FFA	(10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one
+c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N	FFB	n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O	FFC	2-deoxy-2-fluoro-b-d-cellobioside
+c1cc(cc(c1)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	FFD	(1r)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-o-phosphono-d-erythro-pentitol
+O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(O)O	FFE	[bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron
+CC(=CCC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C(F)(F)F)/C)C	FFF	trifluorofurnesyl diphosphate
+c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O	FFG	(r)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)OCCCCNC(=O)CCOCCOCCOCCOCCOCN	FFH	3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{n}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O	FFJ	2'-deoxy-5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)C	FFK	[(2~{r},3~{r},4~{r},5~{s},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [oxidanyl-[(2~{z},6~{z},10~{z})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]phosphoryl] hydrogen phosphate
+C[C@H]([C@H](O)P(=O)(O)O)SC[C@@H](C(=O)O)N	FFM	s-[(1r,2r)-2-hydroxy-1-methyl-2-phosphonoethyl]-l-cysteine
+CC1=Nc2c(c(cs2)c3ccc(cc3)F)C(=O)N1	FFN	5-(4-fluorophenyl)-2-methyl-3~{h}-thieno[2,3-d]pyrimidin-4-one
+c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N	FFO	n-[4-({[(6s)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+c1cc(c(c(c1)F)O)F	FFP	2,6-difluorophenol
+CC[C@H](O)P(=O)(O)O	FFQ	[(1r)-1-hydroxypropyl]phosphonic acid
+c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3=CCN(CC3)Cc4nc5ccc(nc5n4C[C@@H]6CCO6)C(=O)O	FFR	2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{h}-pyridin-1-yl]methyl]-3-[[(2~{s})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
+c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccco4	FFS	n~2~-(3-chlorophenyl)-n~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine
+CC(=CCC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)C	FFT	(2z,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate
+CC1(CCC(CC1)NC(=O)c2cc3c([nH]2)cc(cc3F)F)C	FFU	n-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1h-indole-2-carboxamide
+C[C@H](C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c4)Cl)F	FFV	n~2~-(3-chloro-4-fluorophenyl)-n~4~-[(1r)-1-cyclopropylethyl]quinazoline-2,4-diamine
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC4=NONC4=O	FFW	4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one
+C1([C@H]([C@@H](O[C@@H]([C@H]1O)F)F)O)O	FFX	(2r,3s,5r,6s)-2,6-difluorooxane-3,4,5-triol
+C[C@H](C1CC1)Nc2c3cccc(c3nc(n2)Nc4ccc(c(c4)Cl)F)C5=CCNCC5	FFY	n~2~-(3-chloro-4-fluorophenyl)-n~4~-[(1r)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC	FFZ	3-[5-[(4ar,8as)-4-oxidanylidene-3-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-n-(phenylmethyl)prop-2-ynamide
+c1cc2c(cc1CN3CCC4(CC3)c5ccsc5CCO4)OCCO2	FG0	1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
+c1cc(ccc1CCNC(=O)[C@H](CO)NC(=O)CCNC(=O)CBr)NC(=O)C(=O)O	FG1	n-[4-(2-{2-[3-(2-bromo-acetylamino)-propionylamino]-3-hydroxy-propionylamino}-ethyl)-phenyl]-oxalamic acid
+Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[nH]2)OC	FG2	5-methoxy-n-[(5-methylpyridin-2-yl)sulfonyl]-1h-indole-2-carboxamide
+Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC	FG3	(5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1h-indol-1-yl)acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3	FG4	{2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1h-indol-1-yl}acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)CNS(=O)(=O)c3cc4ccccc4o3	FG5	(2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1h-indol-1-yl)acetic acid
+COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3cc4ccccc4o3	FG6	{2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1h-indol-1-yl}acetic acid
+CCOC(=O)c1cccc(c1)N	FG7	ethyl 3-aminobenzoate
+c1ccc(c(c1)/C=C/C(=O)NO)Sc2ccc(cc2)Cl	FG8	(~{e})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{n}-oxidanyl-prop-2-enamide
+c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N	FG9	~{n}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
+C(CC(=O)O)[C@H](C(=O)O)N	FGA	gamma-d-glutamic acid
+c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N	FGD	n-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-d-glutamic acid
+Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)N)C(=O)N=C3	FGE	~{n}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
+CN1CCN(C(=O)C1)Cc2cc3c(nc2C=O)N(CCC3)C(=O)Nc4cc(c(cn4)C#N)NCCOC	FGF	n-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2h-1,8-naphthyridine-1-carboxamide
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)\F)/C)/C)/C)C	FGG	(2z,6e,10e)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate
+CC(C)Cc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C	FGH	2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5h-beta-carbolin-5-one
+CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC	FGJ	(2r)-3-hydroxypropane-1,2-diyl dihexanoate
+C(C(=O)O)(C(=O)O)N	FGL	2-aminopropanedioic acid
+CCCCCCCCCC[C@H]([C@@H](CCCCCC)C(=O)O)O	FGM	(2r,3r)-2-hexyl-3-hydroxytridecanoic acid
+c1ccc(c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl	FGN	(~{e})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{n}-oxidanyl-prop-2-enamide
+c1nc2c(n1[C@H]3[C@@H]4CC(C[C@@H]4[C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)CO)(O)O)N=C(NC2=O)N	FGO	[(1s,3r,3ar,6as)-3-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methyl [(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
+[C@H]([C@@H](O)OP(=O)(O)O)(C(=O)O)N	FGP	2-amino-3-hydroxy-3-phosphonooxy-propionic acid
+Cc1ccc(cc1)S(=O)(=O)c2cc(c(c3c2cccn3)O)F	FGQ	7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol
+C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O	FGR	n-(n-formylglycyl)-5-o-phosphono-beta-d-ribofuranosylamine
+CC(=O)N[C@@H](CO)[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O	FGS	5-(acetylamino)-5-deoxy-1-o-phosphono-l-iditol
+c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc4)O	FGT	3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
+CC(C)C[C@@H](C(=O)SCCNC(=O)C)N	FGU	s-(2-acetamidoethyl) (2s)-2-azanyl-4-methyl-pentanethioate
+C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)O)OP(=O)(O)O)O	FGV	(1r,2s,3r,4r,5s,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)]
+CC(C)n1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C	FGW	dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium
+[B-]12(CCc3c1cc(cc3)[C@@H](c4ccc(cc4)SCC(=O)C)O)O[C@H]5[C@@H](O[C@H]([C@@H]5O2)n6cnc7c6ncnc7N)CO[P+](O)(O)O	FGX	[(1~{r},5~{r},6~{s},8~{r})-8-(6-aminopurin-9-yl)-4'-[(~{r})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium
+C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c2ccc(cc2)C(=O)NO	FGY	n-(2,2-dimethylpropyl)-n~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-l-asparaginyl-n-benzyl-l-alaninamide
+c1c(cc(c(c1Cl)O)Cl)C(=O)O	FGZ	3,5-dichloro-4-hydroxybenzoic acid
+CN1CCN(CC1)c2ccc(cc2)Nc3nccc(n3)c4c5n(nc4c6cccnc6)CCOC5	FH0	~{n}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{h}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C	FH1	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-l-prolinamide
+C1=C([C@@H]([C@@H]([C@H]([C@H]1O)F)O)O)CO	FH2	(1~{s},2~{s},3~{s},4~{s})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol
+Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@H](C4)CNC(=O)C	FH3	(s)-n-((1-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide
+CC(C)c1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C	FH4	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-l-prolinamide
+Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@@H](C4)NC(=O)C	FH5	(s)-n-(1-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide
+C(C[C@H](C(=O)O)N)CN(C=O)O	FH7	n^5^-formyl-n^5^-hydroxy-d-ornithine
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)O)C(=O)O	FH8	5-carboxy methylrhodamine
+CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(=O)O	FH9	(2s)-6-azanyl-2-[[(2r)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)([C@H](F)[P@](=O)(O)OP(=O)(O)O)O)O)N	FHA	2'-deoxy-5'-o-[(s)-{(s)-fluoro[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
+c1cc(c(cc1C(=O)O)F)O	FHB	3-fluoro-4-hydroxybenzoic acid
+c1cc(ccc1\C=C(/C(=O)[O-])\F)O	FHC	2-fluoro-3-(4-hydroxyphenyl)-2e-propeneoate
+CCCCCOC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3(CC3)C)Oc4c(nc5ccc(cc5n4)OC)Cl)C(C)(C)C	FHD	3-methyl-n-[(pentyloxy)carbonyl]-l-valyl-(4r)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-n-[(1r,2s)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-l-prolinamide
+CC(=O)[C@@H](C1=N/C(=C\c2ccc(cc2)OCc3ccccc3[N+](=O)[O-])/C(=O)N1CC(=O)O)N	FHE	2-[(4~{z})-2-[(1~{r})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccccc1F	FHF	n-((2r,4s)-2-butyl-4-(3-(2-fluorophenyl)ureido)-5-methyl-3-oxohexyl)-n-hydroxyformamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](F)P(=O)(O)O)O)O)N=C(NC2=O)N	FHG	2'-deoxy-5'-o-[(r)-{[(r)-[(s)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O	FHH	methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate
+c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O	FHI	2',4'-difluoro-4-hydroxy-5-iodo-1,1'-biphenyl-3-carboxylic acid
+Cc1ccc(cc1)C[C@@H]([C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)OC)C(=O)OC)Nc4ccccc4	FHJ	dimethyl (1s,2s,3r,4r)-1-[(1s)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
+c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(=O)Nc4ccc(cc4)C(=O)O	FHK	4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid
+C(CC/N=C(\CCC(=O)O)/CO)C[C@@H](C(=O)O)N	FHL	(e)-n~6~-[3-carboxy-1-(hydroxymethyl)propylidene]-l-lysine
+C[C@](COc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O	FHM	s-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
+C([C@H]1[C@H](C([C@@H]([C@@H]([NH2+]1)CO)O)O)O)O	FHN	(2s,3r,5r,6s)-3,4,5-trihydroxy-2,6-bis(hydroxymethyl)piperidinium
+C(C[C@@H](C(=O)O)N)CN(C=O)O	FHO	n^5^-formyl-n^5^-hydroxy-l-ornithine
+CC(=CCC/C(=C/CC/C(=C/[C@H](O)P(=O)(O)O)/C)/C)C	FHP	1-hydroxy-3,7,11-trimethyldodeca-2,6,10-triene phosphonic acid
+c1cc(ccc1/C=N/NC(=O)Cc2n[nH]nn2)Br	FHQ	~{n}-[(~{e})-(4-bromophenyl)methylideneamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanamide
+c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O	FHR	~{n}-[(2~{s})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{h}-indole-2-carboxamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4	FHS	(1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+c1cc(ccc1C(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+])Br	FHT	[[(2~{r})-2-[(4-bromophenyl)carbonylamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
+C([C@@H]1[C@H]([C@H]([C@@H](O1)[C@@]2([C@H](NC(=O)NC2=O)O)F)O)O)OP(=O)(O)O	FHU	(5s,6r)-5-fluoro-6-hydroxy-pseudouridine-5'-monophosphate
+Cc1cccc(c1)NC(=O)N2CCCC2	FHV	n-(3-methylphenyl)pyrrolidine-1-carboxamide
+c1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN	FHW	(2~{r})-3-phenyl-2-(2~{h}-1,2,3,4-tetrazol-5-yl)propanehydrazide
+C[C@H]1CN([C@]12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N	FHX	3-[(3s,4r)-3-methyl-7-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@@H](O[C@H]3[C@H]2O[C@@](OC3)(C)C(=O)O)OC)NC(=O)C)CO)O)O	FHY	(2s,4ar,6r,7s,8r,8as)-7-(acetylamino)-6-({2-(acetylamino)-3-o-[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-4,6-o-[(1s)-1-carboxylic acidethylidene]-2-deoxy-beta-d-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]oxy}-2-methylhexahydro-2h-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid
+COc1ccc(cc1)C[C@H](c2n[nH]nn2)C(=O)NN	FHZ	(2~{r})-3-(4-methoxyphenyl)-2-(2~{h}-1,2,3,4-tetrazol-5-yl)propanehydrazide
+CC[C@H](C)CNC[C@H]([C@H](Cc1ccccc1)N)O	FI0	(2r,3s)-3-amino-1-{[(2s)-2-methylbutyl]amino}-4-phenylbutan-2-ol
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCCN(C3=O)CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5	FI1	6-chloro-n-((3s)-2-oxo-1-(2-oxo-2-((5s)-8-oxo-5,6-dihydro-1h-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2h,4h,8h)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide
+CCC(=O)Nc1ccc(cc1)CN(c2cc(ncn2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5c(c(cc(c5Cl)OC)OC)Cl	FI3	n-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide
+C[C@@H](CNc1c2c(n[nH]c2nc(n1)Oc3ccc(cc3F)F)c4ccccc4Cl)O	FI4	(2s)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1h-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol
+CCc1c(c(c(c(c1Cl)O)Cl)O)C(=O)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)OC)OC/C/3=C\C=C\C[C@@H](/C(=C/[C@@H]([C@H](/C(=C/C(=C/C[C@H](OC3=O)[C@@H](C)O)/C)/C)O[C@H]4[C@H]([C@H]([C@@H](C(O4)(C)C)OC(=O)C(C)C)O)O)CC)/C)O)C	FI8	fidaxomicin
+c1(c(c(c(c(c1F)F)I)F)F)F	FIB	1,2,3,4,5-pentafluoro-6-iodobenzene
+c1cc2c(cc1F)cc([nH]2)C(=O)O	FIC	5-fluoroindole-2-carboxylic acid
+c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3	FID	(2s,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione
+C1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)F	FIF	2,6-anhydro-5-deoxy-5-fluoro-l-idonic acid
+c1ccc(cc1)C(=O)CSC2=NC=C(C(=O)N2)C(=O)O	FIG	6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid
+Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)F	FIH	5-(4-fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid
+CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C	FII	[(3,7,11-trimethyl-dodeca-2,6,10-trienyloxycarbamoyl)-methyl]-phosphonic acid
+C[C@]1(CC(c2cc(c(cc2O1)O)Cl)(C)C)c3cc(c(cc3O)O)Cl	FIJ	4-chloranyl-6-[(2~{s})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{h}-chromen-2-yl]benzene-1,3-diol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)C(C)C	FIK	(1s,2s)-2-[(n-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C/C(=N\OC(=O)N)/c1ccc(c(c1)OC2CCCC2)OC	FIL	(1e)-1-[3-(cyclopentyloxy)-4-methoxyphenyl]ethanone o-(aminocarbonyl)oxime
+CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O	FIN	(1r)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid
+[H]/N=C(\CF)/NCCC[C@@H](C(=O)O)N	FIO	n~5~-[(1e)-2-fluoroethanimidoyl]-l-ornithine
+c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O	FIP	5-fluoroindole propanol phosphate
+CN1C(=O)C=C(NC1=O)C2CC2	FIQ	6-cyclopropyl-3-methyl-1h-pyrimidine-2,4-dione
+c1cc2c(cc1F)[C@@]3(C[C@@H](O2)C(=O)N)C(=O)NC(=O)N3	FIR	(2r,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione
+c1cc2c(cc1F)[C@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3	FIS	(2s,4r)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C	FIT	(4ar,4bs,6as,7s,9as,9bs,11ar)-n-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1h-indeno[5,4-f]quinoline-7-carboxamide
+c1ccc2cc(ccc2c1)C(=O)O	FIV	naphthalene-2-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)C(C)C	FIW	(1r,2s)-1-hydroxy-2-{[n-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C(=O)C(=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O	FIX	d-fructuronic acid
+Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CC[C@H](C5)O)nc(o4)N6CCOCC6	FJ0	2-(2-methylpyridin-4-yl)-n-[2-morpholin-4-yl-5-[(3r)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
+CC1(Cc2c(c(n[nH]2)C(F)(F)F)C(=O)C1)C	FJ1	6,6-dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4h-indazol-4-one
+CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC	FJ2	n-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
+CC(C)c1cc(c(cc1O)O)c2cc(on2)N	FJ3	4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol
+COc1ccc(cc1)CC(=O)c2cc(c(cc2O)O)Cl	FJ4	1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
+CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3)c4ccc(cc4)CN5CCOCC5	FJ5	n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide
+CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3)c4ccc(cc4)OC	FJ6	n-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
+COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[C@H]4c5c(c6ccccc6[nH]5)C[C@@H](N4)C(=O)O	FJ7	(1s,3r)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid
+Cc1ccc(cc1)/C=N/NC(=O)Cc2n[nH]nn2	FJ8	~{n}-[(~{e})-(4-methylphenyl)methylideneamino]-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanamide
+c1cc(nc(c1)C(=O)Nc2ccc3c(c2)oc(n3)N4CCOCC4)c5ccncc5	FJ9	n-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide
+CC1C\2CCC(/C2=C/C3(C(CC(=C3C(C1O)O)C(C)C)O)C)COC	FJA	fusicoccin j aglycone
+c1ccc(cc1)CCCCC(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+]	FJB	[[(2~{r})-2-(5-phenylpentanoylamino)-2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
+c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](Cc3cccc(c3)F)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O	FJC	~{n}-[(2~{s})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{h}-indole-2-carboxamide
+C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ncc(o4)c5ccc(s5)Cl	FJD	3-[(3as,4r,5s,8as,8br)-4-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
+c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F	FJE	[3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{h}-pyrrolo[2,3-b]pyridin-3-yl)methanone
+C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	FJF	5-[(2~{s},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{h}-pyrimidine-2,4-dione
+C[C@H](C(F)(F)F)NC(=O)c1cc(cc(c1)C2(CC2)C)c3c(nc(s3)C(=O)NC4CC(C4)C(=O)O)CC5CCCCC5	FJG	trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2r)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid
+Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)C)NC(=O)c4ccc5c(c4)OCCO5	FJH	~{n}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6	FJI	3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{n}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{h}-benzo[c][1]benzoxepine-9-carboxamide
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)/N=C/CCCc2ccccc2)O)O	FJJ	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-[(1e)-4-phenylbutylidene]-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)
+c1cc2c(c(c1)NC(=O)Nc3cc(ccn3)COCc4cn(nn4)CCNC5=C6C=CC=CC6=NC7C5CCCC7)[C@H]8CCCCN8C2=O	FJK	1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{r})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]urea
+C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)(C)C(=O)O	FJL	(2~{s},3~{s},4~{s},5~{r},6~{r})-6-[[(3~{s},4~{a}~{r},6~{a}~{r},6~{b}~{s},8~{a}~{s},11~{s},12~{a}~{r},14~{a}~{r},14~{b}~{s})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{h}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCCCc2ccccc2)O)O	FJM	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(8-phenyloctyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)
+C[NH+](Cc1ccnc(c1)NC(=O)Nc2cccc3c2[C@@H]4CCCCN4C3=O)Cc5cn(nn5)CCNC6=C7C=CC=CC7=NC8C6CCCC8	FJN	[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{s})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium
+C(CO)C(O)(O)O	FJO	propane-1,1,1,3-tetrol
+CC(=CCC/C(=C\CC/C(=C/COP(=O)(O)O)/C)/C)C	FJP	(2e,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate
+c1cc(c(cc1Cl)Cl)[C@H](Cn2ccnc2)OCc3ccsc3Cl	FJQ	tioconazole
+[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3ccc(cc3)C	FJR	2-azanylidene-n-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide
+COc1ccc(cc1)c2c(noc2NC(=O)C3CC3)c4cc(c(cc4O)O)c5cncc6c5cccc6	FJS	n-{3-[2,4-dihydroxy-5-(isoquinolin-4-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
+c1cc2c(cc1CNC(=O)c3nnc(o3)Cc4ccc(cc4Cl)F)OCO2	FJT	~{n}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
+[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3cccc(c3)CC	FJU	2-azanylidene-n-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide
+C1CCc2c(c3c4c(c(nnn4)N5CCNCC5)sc3nc2N6CCOCC6)C1	FJV	4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine
+c1c(c(cc2c1OCO2)Br)Cn3c4c(c(nc(n4)N)Cl)nc3O	FJX	2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol
+Cc1c(c2ccc(cc2nc1c3cccnc3)F)N4CC(c5c4cc(cc5)N6CCOCC6)(C)C	FJY	4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1h-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline
+c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3	FJZ	n-cyclohexyl-4-(1h-imidazol-5-yl)piperidine-1-carbothioamide
+c1cc(c(cc1Br)F)Cn2c3c(c(nc(n3)N)Cl)nc2O	FK0	2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol
+c1cc(cc2c1cc[nH]2)Br	FK1	6-bromo-1h-indole
+C(C=O)C(=O)O	FK2	3-oxidanylidenepropanoic acid
+CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C=O	FK3	(3~{s},3~{a}~{s},6~{a}~{r})-~{n}-[(2~{r},3~{s})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{h}-cyclopenta[c]pyrrole-3-carboxamide
+CC(C)(COP(=O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccc[nH]1)O	FK4	s-[2-({n-[(2r)-2-hydroxy-4-{[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] 1h-pyrrole-2-carbothioate
+C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](\C=C(\C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC	FK5	8-deethyl-8-[but-3-enyl]-ascomycin
+c1ccc(cc1)COC(=O)N	FK8	(phenylmethyl) carbamate
+CCCSCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	FK9	3-(propylsulfanyl)propyl alpha-d-mannopyranoside
+C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](\C=C(\C1)/C)CCOC(=O)NCc4ccccc4)O)C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C)O)C)OC)OC	FKA	benzyl-carbamic acid [8-deethyl-ascomycin-8-yl]ethyl ester
+C1CCC(CC1)Nc2nc(n3c(n2)nc(n3)C[C@H](C#N)C(=O)N)N	FKB	(2~{r})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C	FKC	(4r)-4-[(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
+C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(=O)O)O)F)O)O)O)O)O	FKD	3-deoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid
+c1ccc(cc1)C2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N	FKE	4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)CC(C)(C)O)C)C	FKF	(4r)-4-[(3s,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
+CC1=Nc2c(c(nn2[C@@H](C)c3ccc(cc3)C(F)(F)F)CO)C(=O)N1	FKG	3-(hydroxymethyl)-6-methyl-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+Cc1cccc(c1)CN2C(=C(C(=O)NC2=O)N(C)S(=O)(=O)c3ccccc3)N	FKH	n-(6-amino-1-(3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+C([C@@H](C(=O)C(=O)O)N)C(F)F	FKI	5,5-di-fluoro-2-keto-3-aminopentanoic acid
+C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CO)C(=O)NC(=O)N3	FKJ	3-(hydroxymethyl)-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
+c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)F	FKK	4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
+Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)NC4CCOCC4)C(=O)NC5CC5	FKL	n-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2h-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide
+C[C@H](c1cccc(c1)OC2CCCC2)NS(=O)(=O)CCCOCN3C=CC(=O)NC3=O	FKM	n-[(1r)-1-[3-(cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)methoxy]-1-propanesulfonamide
+CS(=O)(=O)c1ccc(c(c1)c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F)Cl	FKN	3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1h-pyrazolo[3,4-d]pyrimidine
+c1ccc(c(c1)c2c3ccc(cc3n[nH]2)Oc4ccccc4F)Cl	FKO	3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2h-indazole
+CC1(CC[C@@H]([C@]2([C@H]1[C@@H]([C@@H]([C@@]3([C@@]2(C(=O)C[C@](O3)(C)C=C)O)C)OC(=O)CCCCN4CCN(CC4)C)O)C)O)C	FKP	methylpiperazinoforskolin
+c1ccc(cc1)C2(CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)O	FKQ	4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide
+CNc1cc(cc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O)F	FKR	4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid
+C(CCC(C(F)(F)F)(O)O)CCNCCCN	FKS	7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol
+CNc1cc(cc2c1NC(=O)C(=C2NCCCN)C(=O)Nc3ccc(cc3)C(=O)O)F	FKU	4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{h}-quinolin-3-yl]carbonylamino]benzoic acid
+C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CC(F)(F)F)C(=O)NC(=O)N3	FKV	3-(2,2,2-trifluoroethyl)-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
+c1ccc2c(c1)c(c[nH]2)CC(=O)N/N=C/c3ccc(c(c3)O)[N+](=O)[O-]	FKW	2-(1~{h}-indol-3-yl)-~{n}-[(~{e})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide
+Cn1cc(nc1)c2cc(c(nc2)O[C@H]3CCN(C[C@H]3F)C(=O)Cc4ccc(cc4)OC(F)(F)F)C(=O)N	FKY	2-{[(3r,4s)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1h-imidazol-4-yl)pyridine-3-carboxamide
+CCCCCCCCN	FKZ	octan-1-amine
+c1ccc(cc1)C(=O)CBr	FL0	2-bromanyl-1-phenyl-ethanone
+c1cc(ccc1CCNC(=S)Nc2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O)S(=O)(=O)N	FL1	5-{[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonothioyl]amino}-2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid
+C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)OC	FL2	flurbiprofen methyl ester
+CC(=O)c1ccc2ccccc2c1	FL3	1-naphthalen-2-ylethanone
+Cc1ccccc1c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F)F	FL4	6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidine
+CCn1c-2c(nn1)-c3ccc(cc3-c4c(nnn4CC)-c5c2cc(cc5)N(C)C)[N+](C)(C)C	FL5	12-(dimethylamino)-3,10-diethyl-n,n,n-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium
+COC(=O)C[C@@H](C(=O)O)N	FL6	(2s)-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid
+CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl	FL7	flurazepam
+CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br	FL8	6,4'-dihydroxy-3-methyl-3',5'-dibromoflavone
+c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O	FL9	3',5'-dibromo-2',4,4',6'-tetrahydroxy aurone
+[C@H](C(=O)O)(C(F)(F)F)N	FLA	trifluoroalanine
+CCOCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F	FLB	1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene
+C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O	FLC	citrate anion
+COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CC[NH2+]CCCCCC[NH2+]CC[n+]5ccc6ccc7c(c6c5)c8cc(ccc8[nH]7)OC	FLD	bis-(n-ethylpyridinium-(3-methoxycarbazole))hexane-1,6-diamine
+CC(C)C[C@@H](C(=O)O)NC(=O)c1ccco1	FLE	furoyl-leucine
+c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F	FLF	2-[[3-(trifluoromethyl)phenyl]amino] benzoic acid
+CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O	FLG	fluoresceinylthioureido
+C=O	FLH	formaldehyde
+CCCCCC[C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C/C=C/C=C/C=C/C=C/C[C@H](OC1=O)C)/C)O)O)O)O)O)O)O	FLI	(3r,4s,6s,8s,10r,12r,14r,16s,17e,19e,21e,23e,25e,28r)-3-hexyl-4,6,8,10,12,14,16-heptahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one
+Cc1cn2c(cnc2c(n1)Nc3ccc(cc3F)C(=O)N4CCOCC4)c5c[nH]nc5	FLJ	(3-fluoro-4-{[6-methyl-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone
+C1C[NH+]=C(N1)NNC(=O)CCCl	FLK	3-chloranyl-~{n}'-(4,5-dihydro-1~{h}-imidazol-3-ium-2-yl)propanehydrazide
+c1ccc(cc1)N2Cc3cccc[n+]3[Ru]24(n5cc(cc6c5c7[n+]4c8ccc(cc8c7c9c6C(=O)NC9=O)O)F)(C#O)Cl	FLL	octahedral ru-pyridocarbazole
+Cc1c(cccc1F)N	FLM	3-fluoro-2-methyl-aniline
+c1ccc(cc1)C2=CC(=O)c3ccccc3O2	FLN	2-phenyl-4h-chromen-4-one
+[F-]	FLO	fluoro group
+C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O	FLP	flurbiprofen
+CC(=O)NCCCCCCNC(=O)c1ccc2c(c1)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O	FLQ	n-[6-(acetylamino)hexyl]-3',6'-dihydroxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-6-carboxamide
+C[C@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O	FLR	(2r)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid
+C[C@H](CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C	FLS	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1r)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+c1cc(ccc1C[C@@H](C(=O)O)N)OC(C(=O)O)(C(=O)O)F	FLT	fluoromalonyl tyrosine
+c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O	FLU	2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-benzoic acid
+c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O	FLV	flaviolin
+CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F	FLW	6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)P(=O)(O)O)NC(=O)c3ccco3	FLX	n-[(furan-2-yl)carbonyl]-(s)-leucyl-(r)-[1-amino-2(1h-indol-3-yl)ethyl]-phosphonic acid
+CC(C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C	FLY	6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8h)-one
+CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccccc4	FLZ	8-methyl-6-phenoxy-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O	FM0	(3r)-3-(fluoromethyl)-3-hydroxy-5-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid
+CNc1c2c(c(n[nH]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)ncn1	FM1	2-hydroxymethyl-5-(7-methylamino-3h-pyrazolo[4,3-d]pyrimidin-3-yl)-tetrahydro-furan-3,4-diol
+C[n+]1cnc2c(c1N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	FM2	2-(7-amino-6-methyl-3h-pyrazolo[4,3-d]pyrimidin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+C[C@H]1[C@H](O1)[P@@](=O)(O)OP(=O)(O)O	FM4	[(2r,3s)-3-methyloxiran-2-yl]-phosphonooxy-phosphinic acid
+CC(=O)N(CC[C@@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O	FM5	3-(n-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid
+c1ccc(cc1)C(=O)N(CC[C@@H](c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O	FM6	[(1s)-1-(3,4-dichlorophenyl)-3-[oxidanyl(phenylcarbonyl)amino]propyl]phosphonic acid
+c1ccc(c(c1)C(=O)N(CC[C@@H](c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O)Nc3cccc(c3)C(F)(F)F	FM7	[(1s)-1-(3,4-dichlorophenyl)-3-[oxidanyl-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonyl-amino]propyl]phosphonic acid
+c1ccc(c(c1)Cn2cncn2)C(=O)N(CC[C@@H](c3ccc(c(c3)Cl)Cl)P(=O)(O)O)O	FM8	[(1s)-1-(3,4-dichlorophenyl)-3-{hydroxy[2-(1h-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid
+CC(C)Nc1cc(ncn1)c2csc(n2)N(C)C(=O)c3ccc(cc3)F	FM9	4-fluoro-n-methyl-n-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide
+CCCCCCCCCCC[C@H](CC(=O)O)c1c(c(cc2c1N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C)C	FMA	6-(3-tetradecanoic acid) flavine mononucleotide
+C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	FMB	formycin b
+c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	FMC	(1s)-1-(7-amino-1h-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-d-ribitol
+C[C@H]([C@@H]([C@@H](C#Cc1c(ccc2c1/C(=C/c3c(cc[nH]3)OC)/C(=O)N2)F)O)N)O	FMD	4-((3r,4s,5r)-4-amino-3,5-dihydroxy-hex-1-ynyl)-5-fluoro-3-[1-(3-methoxy-1h-pyrrol-2-yl)-meth-(z)-ylidene]-1,3-dihydro-indol-2-one
+CSCC[C@@H](C(=O)O)NC=O	FME	n-formylmethionine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)F)F)O)O)O	FMF	2-deoxy-2-fluoro-beta-d-mannopyranosyl fluoride
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F	FMG	2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7-methyl-6-oxo-6,9-dihydro-1h-purin-7-ium
+c1cc(ccc1c2ncc([se]2)CCl)S(=O)(=O)N	FMH	4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide
+CCC1=C(c2cc3[n+]4c(cc5c(c(c6n5[Fe@@]47[n+]2c1cc8n7c(c6)c(c8C)CCC(=O)O)CCC(=O)O)C)[C@@](C3=O)(C)CC)C	FMI	fe-(4-mesoporphyrinone)-r-isomer
+Cc1c(c(no1)c2ccccc2)c3ccnc(n3)N	FMJ	4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
+C[C@@H](Cn1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4F)F)C	FMK	6-(2,4-difluorophenoxy)-8-methyl-2-{[(1s)-1-methyl-2-(2h-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+C[C@@H](CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F	FML	6-(2,4-difluorophenoxy)-n-[(1s)-1-methyl-2-(methylsulfonyl)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-3-amine
+CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F	FMM	n-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	FMN	flavin mononucleotide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H](C([C@H]2O)(F)F)F)CO)O)O)O)O	FMO	2-deoxy-2,2-difluoro-4-o-alpha-d-glucopyranosyl-alpha-d-arabino-hexopyranosyl fluoride
+c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	FMP	formycin-5'-monophosphate
+Cc1c(cnn1c2ccc(cc2)F)CO	FMQ	[1-(4-fluorophenyl)-5-methyl-1h-pyrazol-4-yl]methanol
+C(=C/C(=O)[O-])\C(=O)[O-]	FMR	fumarate
+C(F)(F)(F)S(=O)(=O)N	FMS	trifluoromethane sulfonamide
+C(=O)O	FMT	formic acid
+C[C@@]1(CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F	FMU	5-fluoro-5-methyluridine-5'-monophosphate
+C[C@H](c1ccc(o1)C(C)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C	FMV	(1s,3r,5z,7e,14beta,17alpha,20s)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol
+CCOc1cc(ccc1Nc2ncc3cc(nc(c3n2)NCC(C)(C)C)C)c4nncn4C	FMW	~{n}8-(2,2-dimethylpropyl)-~{n}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine
+C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3)Oc4ccccc4	FMX	famoxadone
+c1cc(ccc1/N=C\2/NC=CC(=N2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6	FMY	n-[(2z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1h)-ylidene]-4-(3-morpholin-4-yl-1h-1,2,4-triazol-1-yl)aniline
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)NN3CCNC3=O)C(=O)O)C	FMZ	(2r,4s)-5,5-dimethyl-2-[(1r)-2-oxo-1-({(2r)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenylacetyl}amino)ethyl]-1,3-thiazolidine-4-carboxylic acid
+CC(C)(C)c1cc2c(c(c1)C(C)(C)C)OC(=O)[C@@]2(C(F)(F)F)O	FN0	(3s)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one
+CN1CCC[C@H]1c2cc(cnc2)F	FN1	5-fluoronicotine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4	FN2	(1s,2s)-1-hydroxy-2-[(n-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+B([C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O	FN3	[(1s)-3-methyl-1-[[(2s)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O	FN5	cmp-3f(a)-neu5ac
+c1c(nc[nH]1)C[C@H](C(=O)O)NCC[C@@H](C(=O)O)N	FN6	(2s)-2-azanyl-4-[[(2r)-3-(1h-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
+Cc1cc(nc(c1C(=O)O)C)C	FN7	2,4,6-trimethylpyridine-3-carboxylic acid
+CCC(=O)N(CCC[C@@H]([C@@H](O)OCC/C(=C\C(=O)N(C)O)/C)NC(=O)C)O	FN8	(~{z})-5-[(1~{s},2~{s})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{n},3-dimethyl-~{n}-oxidanyl-pent-2-enamide
+Cn1ccc2c1C(=O)N(C(=N2)N[C@@H]3C[C@@H](CN(C3)C)c4ccccc4)C	FN9	3,5-dimethyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one
+c1ccc(cc1)Nc2cccc3c2cccc3	FNA	n-phenylnaphthalen-1-amine
+C[C@H]([C@@H](c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)n4nccn4)Cl)OC)OC	FNB	1-[2-chloranyl-7-[(1~{r},2~{r})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea
+CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccccc4	FNC	3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5h-pyrrolo[3,2-d]pyrimidin-4-one
+CC[C@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C	FND	11-[(2s)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+C(#O)[Fe]1(S[Ni]1)(C#O)C#O	FNE	(mu-sulphido)-bis(mu-cys,s)-[tricarbonyliron-di-(cys,s)nickel(ii)](fe-ni)
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O	FNF	(2r,3r,4s,5r,6r)-4-(formylamino)-3,5-dihydroxy-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)N	FNG	5-aminocarbonyl-3-nitrophenyl alpha-d-galactopyranoside
+CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@H](c1ccccc1)C(=O)O)NC(=O)[C@@H]2Cc3cccc(c3)CCCCCCCC(=O)N[C@H](C(=O)N2)C4CCCCC4	FNH	(2r)-({n-[(3s)-3-({[(3s,6s)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)acetic acid
+c1cc2cc(ccc2c(c1)O)Nc3c4ccncc4oc3C(=O)Nc5ccncn5	FNI	3-[(5-hydroxynaphthalen-2-yl)amino]-n-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide
+CC[C@@H](c1ccc(cc1)O)[C@H](c2ccccc2)c3ccc(cc3)O	FNJ	4,4'-[(1r,2r)-1-phenylbutane-1,2-diyl]diphenol
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(C)C	FNK	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[7,8-dimethyl-5-(3-methylbutanoyl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+C[C@@]1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccccc3	FNM	(5s)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4h-imidazol-4-one
+c1cc(c(cc1O)F)[N+](=O)[O-]	FNN	3-fluoro-4-nitrophenol
+CC(=CC[C@H](C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C	FNO	2-[(1r)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione
+c1cc(cc2c1ccc(c2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O	FNP	{[7-(difluoro-phosphono-methyl)-naphthalen-2-yl]-difluoro-methyl}-phosphonic acid
+c1cc(cnc1)c2ccc(cc2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6	FNQ	8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	FNR	1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2h-benzo[g]pteridin-1-id-10(5h)-yl)-5-o-phosphonato-d-ribitol
+Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)S(=O)(=O)[O-]	FNS	n-sulfo-flavin mononucleotide
+C[C@@H](C(=O)O)NC(=O)c1c(c2ccccc2c(n1)Cl)O	FNT	(2s)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=O)F)N)O)O)OP(=O)(O)O	FNU	6-amino-5-fluorouridine 5'-(dihydrogen phosphate)
+Cc1c(ccc2c1cc(n2C[C@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F	FNV	4-methyl-1-{[(2r)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1h-indole-2-carbonitrile
+Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)C3N2C=O)N	FNX	(4as,6s)-2-amino-6-{(e)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4ah)-carbaldehyde
+C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@]2([C@@H]([C@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO)O)O)O)O	FNY	1-fructofuranosyl-d-nystose
+c1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cncn3)O)F	FNZ	4-[(1s,2r)-3-(4-fluorophenyl)-2-hydroxy-1-(1h-1,2,4-triazol-1-yl)propyl]benzonitrile
+CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)N[C@@H](C)c4cccnc4)C2=O	FO0	6-azanyl-11-methyl-2-oxidanylidene-n-[(1s)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
+c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	FO1	1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-d-ribitol
+CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4	FO2	8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	FO4	sphingomyelin 
+c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N	FO5	3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile
+c1cc(c(c(c1Oc2cc(cc(c2)Cl)F)Br)CO)S(=O)(=O)C(F)F	FO7	{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol
+c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6	FO8	8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C1C(=NC(=S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N	FO9	famotidine
+c1cc(oc1)C(=O)O	FOA	2-furoic acid
+CC(=O)N(CC[C@H](c1ccncc1)P(=O)(O)O)O	FOB	[(1r)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid
+C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O	FOC	fucitol
+c1c(nnn1C2CCC(CC2)O)CC[C@@H](C(=O)O)N	FOD	(2s)-2-amino-4-[1-(trans-4-hydroxycyclohexyl)-1h-1,2,3-triazol-4-yl]butanoic acid
+CC(C)N(c1ccc(cc1)F)C(=O)CSC[C@@H](C(=O)O)N	FOE	2-(2-amino-3-oxo-propylsulfanyl)-n-(4-fluoro-phenyl)-n-isopropyl-acetamide
+CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C	FOF	(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
+c1ccc(cc1)C[C@@H]([C@H](CCC(=O)O)O)N	FOG	(4s,5s)-5-amino-4-hydroxy-6-phenylhexanoic acid
+CC(=CCC/C(=C\CC/C(=C\CO)/C)/C)C	FOH	(2z,6z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
+COC(=O)c1c(c2ccncc2o1)NC3C=CC4=C(C=CC4=C3)NO	FOI	methyl 3-{[(5s)-1-(hydroxyamino)-5h-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate
+c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)[C@H](C(S2(=O)=O)(F)F)O	FOJ	3-{[(3r)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1h-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile
+CC(=O)O[C@H]1[C@H]([C@H]2C(CC[C@@H]([C@@]2([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O)(C)C)O	FOK	forskolin
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N	FOL	folic acid
+C(CN(C=O)O)CP(=O)(O)O	FOM	3-[formyl(hydroxy)amino]propylphosphonic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N	FON	n-{[4-({[(6r)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-l-glutamic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C(=N)C(=O)O)O	FOO	(3e)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-iminobut-3-enoic acid
+C[C@H](C[NH3+])O	FOP	2-hydroxy-propyl-ammonium
+CC(=O)N(CC[C@@H](c1ccncc1)P(=O)(O)O)O	FOQ	[(1s)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid
+C=O	FOR	formyl group
+c1ccc(cc1)COC(=O)NCP(=O)(O)O	FOS	[[n-(benzyloxycarbonyl)amino]methyl]phosphate
+C1(=C(NC(=O)NC1=O)C(=O)O)F	FOT	5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+[C@H]1(C([C@H](NC(=O)N1)O)F)O	FOU	(5s,6r)-5-fluoro-6-hydroxydihydropyrimidine-2,4(1h,3h)-dione
+c1cc(c(cc1S(=O)(=O)C(F)(F)F)N(=O)=O)Nc2cc(cc(c2)Cl)F	FOV	n-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline
+c1ccc2c(c1)CCC23CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6	FOW	8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC2=C(C(=O)N=C(N2)N)NC=O	FOX	((1r,2s,4r)-4-{[2-amino-5-(formylamino)-6-oxo-3,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl)methyl 5'-phosphate
+Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3	FOY	1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1h)-one
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N	FOZ	n-[4-({[(6s)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+CC1=C[C@@H]2[C@](CC1)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO	FP0	(3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate
+CN\1C=CC=C/C1=C/NO	FP1	n-hydroxy-1-(1-methylpyridin-2(1h)-ylidene)methanamine
+c1ccc(c(c1)O)F	FP2	2-fluorophenol
+c1cnc(nc1)c2c(c3ccncc3o2)Nc4ccc(c(c4)O)Cl	FP3	2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol
+c1cc2c(c(c1)Nc3c4ccncc4oc3c5ncccn5)c(n[nH]2)CCCO	FP4	3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1h-indazol-3-yl)propan-1-ol
+B(CNC(=O)Cc1ccccc1)(O)O	FP5	phenylacetamidomethyl boronic acid
+C1CCN(C1)C=O	FP6	pyrrolidine-1-carbaldehyde
+Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)[C@@H](C)O	FP7	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1r)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1h)-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4	FP8	(1r,2s)-1-hydroxy-2-[(n-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-l-leucyl)amino]-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+C1[C@H](CN[C@@H]1C(=O)O)F	FP9	(4r)-4-fluoro-l-proline
+C(=O)(C(F)(F)Br)O	FPA	bromo(difluoro)acetic acid
+c1ccc(cc1)C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H](Cc3ccccc3F)N	FPB	n-({(2s)-1-[(3r)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl}methyl)benzamide
+C([C@H]([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O	FPC	d-fructose-6-phosphate (open form)
+C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@]([C@@H](CCO1)CSc3cccc(c3)C=O)(C(=O)N2)O)O)O	FPD	5a-(3-formylphenylsulfanyl)-dihydrobicyclomycin
+C([C@@H](C(=O)O)OP(=O)(O)O)F	FPE	3-fluoro-2-(phosphonooxy)propanoic acid
+CC(=CCC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)\F)/C)/C)C	FPF	(2z,6e)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
+CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O	FPG	(1s)-1-[(1r)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate
+c1cc2c(c(c(n2O)c3ccncc3)c4ccc(cc4)F)nc1	FPH	3-(4-fluorophenyl)-2-pyridin-4-yl-1h-pyrrolo[3,2-b]pyridin-1-ol
+C1CCN(CC1)C=O	FPI	n-formylpiperidine
+CCC(=O)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	FPJ	5'-o-[(r)-hydroxy(propanoylamino)phosphoryl]adenosine
+C1C[C@H](N(C1)C=O)C(=O)O	FPK	1-formyl-l-proline
+c1ccc(cc1)Oc2ccc(cc2O)F	FPL	5-fluoro-2-phenoxyphenol
+C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O	FPM	(5r,6s)-6-(1-hydroxyethyl)-7-oxo-3-[(2r)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
+c1cc(ccc1O)F	FPN	4-fluorophenol
+[O-]P(=O)([O-])F	FPO	fluoro-phosphite ion
+CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C	FPP	farnesyl diphosphate
+CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C	FPQ	(2r)-3-(phosphonooxy)-2-{[(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid
+c1ccc(cc1)CCCC(=O)[C@H](CC(=O)O)N	FPR	(3s)-3-amino-4-oxo-7-phenylheptanoic acid
+CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C	FPS	s-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienyl] trihydrogen thiodiphosphate
+CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C#N	FPT	n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-nitrilomethyl-pyridyl]-thiourea
+COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)N[C@@H]4C[C@H]4c5ccccc5	FPU	1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1r,2s)-2-phenylcyclopropyl]urea
+COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)C4=CC=CN(C4=O)Cc5ccccc5	FPW	1-benzyl-n-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide
+Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)Nc4ccccc4)NC(=O)c5cccc(c5)C(F)(F)F	FPX	n-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide
+C1=C([C@@H](NC(=O)N1)O)F	FPY	(4s)-5-fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1h)-one
+c1ccc(cc1)P(c2ccccc2)c3ccccc3	FPZ	triphenylphosphane
+CC(=CCC/C(=C/CC/C(=C/COC(CO)CO)/C)/C)C	FQ0	2-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	FQ1	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	FQ4	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl [(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
+c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5	FQ5	8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1ccc(c(c1)C(=O)O)Nc2cc(cc(c2)Cl)Cl	FQ7	2-[(3,5-dichlorophenyl)amino]benzoic acid
+C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O	FQ8	[(2~{r},3~{s},4~{s})-2,3,4,5-tetrakis(oxidanyl)pentyl] [(2~{r},3~{r},4~{s})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentoxy]phosphoryl]oxy-pentyl] hydrogen phosphate
+c1ccc(cc1)CNCCCC[C@@H](C(=O)O)N	FQA	n~6~-benzyl-l-lysine
+CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5	FQB	8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1cc2c(cc1F)C(=O)N(C(=N2)n3cncn3)c4ccc(cc4Cl)Cl	FQC	3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one
+c1cc(ccc1c2csc3c2C(=O)NC=N3)F	FQD	5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3h)-one
+CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5	FQE	8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CC(=CCC/C(=C/CC/C(=C/COC[C@@H](CO)O)/C)/C)C	FQF	(2r)-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
+CC(C)(CNC(=O)c1cc(n(n1)c2ccccc2)NC(=O)c3cc(c(cc3Cl)Cl)c4ccccn4)O	FQG	5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-n-(2-hydroxy-2-methylpropyl)-1-phenyl-1h-pyrazole-3-carboxamide
+c1cc(cc(c1)C(F)(F)F)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5	FQH	8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1cc(sc1C(=O)N)Cl	FQI	5-chloro-2-thiophenecarboxamide
+Cc1cc(n(n1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl	FQJ	2,4-dichloro-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)benzamide
+c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)CC5CCC5	FQK	8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)NC)O	FQL	(2s,3r)-n-[(e)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide
+c1ccc(cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c4cccc(n4)N	FQM	5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1h-pyrazole-3-carboxamide
+c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)C5CCCC5	FQN	8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+c1c(c(nc(n1)C(F)(F)F)N)CO[P@](=O)(O)OP(=O)(O)O	FQP	4-amino-2-trifluoromethyl-5-hydroxymethylpyrimidine pyrophosphate
+CC1(CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)NC=N4)c5cccc(c5)Cl	FQQ	8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+C[C@H]([C@@H](C(=O)OC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O	FQR	[(e)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2s,3r)-2-azanyl-3-oxidanyl-butanoate
+CCCCCC(=O)OC[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2CC=C(NC2=O)N)O)O)OC(=O)CCCCC	FQT	[(2~{s})-3-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate
+C[C@H]([C@@H](C(=O)OCCCCCN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O	FQU	5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{s},3~{r})-2-azanyl-3-oxidanyl-butanoate
+CC#CC[Se]c1ccc(cc1)S(=O)(=O)N	FQV	4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide
+c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N	FQW	2-amino-5-phenethyl-6-phenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-]	FQX	[1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5h,8h)-dione 1-oxide
+c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2	FQY	4-(cyclohexylselanyl)benzene-1-sulfonamide
+C[C@H]1C[C@H](C[C@H]([C@@H]1O)O)C(=O)O	FQZ	(1~{r},3~{s},4~{r},5~{r})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid
+c1ccc2c(c1)[nH]c(n2)NCc3ccc(s3)c4csc(n4)N=C(N)N	FR0	n''-(4-(5-((1h-benzimidazol-2-ylamino)methyl)-2-thienyl)-1,3-thiazol-2-yl)guanidine
+CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)NCC(=O)O	FR1	2-[4-[[(s)-1-[[(s)-2-[[(rs)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl]pyrrolidin-1-yl-]carbonyl]-2-methylpropyl]aminocarbonyl]benzoylamino]acetic acid
+c1ccc(cc1)CC[C@H](CO)n2cc(nc2)C(=O)N	FR2	1-((1r)-1-(hydroxymethyl)-3-phenylpropyl)-1h-imidazole-4-carboxamide
+c1ccc2c(c1)cccc2CC[C@H](CO)n3cc(nc3)C(=O)N	FR3	1-((1r)-1-(hydroxymethyl)-3-(1-naphthyl)propyl)-1h-imidazole-4-carboxamide
+c1ccc(cc1)CCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N	FR4	1-((1r)-1-(hydroxymethyl)-3-{6-[(3-phenylpropanoyl)amino]-1h-indol-1-yl}propyl)-1h-imidazole-4-carboxamide
+Cn1c2ccccc2nc1CCC(=O)Nc3ccc4ccn(c4c3)CC[C@H](CO)n5cc(nc5)C(=O)N	FR5	1-((1r)-1-(hydroxymethyl)-3-(6-((3-(1-methyl-1h-benzimidazol-2-yl)propanoyl)amino)-1h-indol-1-yl)propyl)-1h-imidazole-4-carboxamide
+C[C@@H]([C@@H](CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O	FR6	1-{(1r,2s)-2-hydroxy-1-[2-(1-naphthyl)ethyl]propyl}-1h-imidazole-4-carboxamide
+C[C@@H]([C@@H](CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O	FR7	1-{(1r,2s)-1-[2-(2,3,-dichlorophenyl)ethyl]-2-hydroxypropyl}-1h-imidazole-4-carboxamide
+c1ccc(cc1)CCCCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N	FR8	1-((1r)-1-(hydroxymethyl)-3-{6-[(5-phenylpentanoyl)amino]-1h-indol-1-yl}propyl)-1h-imidazole-4-carboxamide
+c1ccc(cc1)CNC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N	FR9	1-[(1r)-3-(6-{[(benzylamino)carbonyl]amino}-1h-indol-1-yl)-1-(hydroxymethyl)propyl]-1h-imidazole-4-carboxamide
+CC(=O)Nc1ccc(cc1)N2C(=O)[C@@H]3C4CCC([C@@H]3C2=O)(CC4)NC(=O)OCC(=O)O	FRA	[4-(4-acetylamino-phenyl)-3,5-dioxo-4-aza-tricyclo[5.2.2.0 2,6]undec-1-ylcarbamoyloxy]-acetic acid
+c1cc(c(c(c1)Cl)Cl)c2cc([nH]n2)C3CCN(CC3)C(=O)CNC(=O)[C@@H](C4CCCCC4)NC(=N)N	FRB	2-cyclohexyl-n-(2-{4-[5-(2,3-dichloro-phenyl)-2h-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide
+C[C@@H]([C@@H](CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O	FRC	1-{(1r,2s)-2-hydroxy-1-[2-(2-naphthyloxy)ethyl]propyl}-1h-imidazone-4-carboxamide
+C[C@H](Cc1ccccc1)N	FRD	1-phenyl-2-aminopropane
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)\C=C\c4cc(c(c(c4)OC)O)O)O	FRE	feruloyl coenzyme a
+c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)N	FRF	phe-reduced-phe
+[H]/N=C(/N)\N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)C#Cc3ccccc3)C(=O)OC	FRG	2-[3-methyl-4-(n-methyl-guanidino)-butyrylamino]-3-(4-phenylethynyl-phenyl)-propionic acid methyl ester
+[H]/N=C(\N)/N[C@H](CC(C)C)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(o4)C(=O)O	FRH	5-[2,3-dichloro-4-(5-{1-[2-(2-guanidino-4-methyl-pentanoylamino)-acetyl]-piperidin-4-yl}-1-methyl-1h-pyrazol-3-yl)-phenoxymethyl]-furan-2-carboxylic acid
+CC(C)C[C@H](C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C)NC(=N)N	FRI	2-guanidino-4-methyl-pentanoic acid [2-(4-{5-[4-(4-acetylamino-benzyloxy)-2,3-dichloro-phenyl]-2-methyl-2h-pyrazol-3-yl}-piperidin-1-yl)-2-oxo-ethyl]-amide
+CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)c5cc(c(c(c5)Br)O)Br	FRJ	3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid [4-(thiazol-2-ylsulfamoyl)-phenyl]-amide
+CCCCCC(=O)Nc1nc(c(s1)c2ccc(cc2)O)c3ccc(cc3)O	FRK	n-[4,5-bis(4-hydroxyphenyl)-1,3-thiazol-2-yl]hexanamide
+C[C@@H](C(CCc1cccc2c1oc(n2)c3ccc(cc3)Cl)n4cc(nc4)C(=O)N)O	FRL	1-((1r,2s)-1-{2-[2-(4-chlorophenyl)-1,3-benzoxazol-7-yl]ethyl}-2-hydroxypropyl)-1h-imidazole-4-carboxamide
+Cc1cccc2c1N=C(NC2=O)CCC[N@@]3CCC(=CC3)c4ccc(cc4)F	FRM	2-{3-[4-(4-fluorophenyl)-3,6-dihydro-1(2h)-pyridinyl]propyl}-8-methyl-4(3h)-quinazolinone
+C[C@@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)[O-])O	FRO	(5r,6s)-6-[(1r)-1-hydroxyethyl]-7-oxo-3-[(2r)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
+CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)Nc3ccc(cc3)F)N	FRP	n1-((2s,3s,5r)-3-amino-6-(4-fluorophenylamino)-5-methyl-6-oxo-1-phenylhexan-2-yl)-n3,n3-dipropylisophthalamide
+c1ccc(cc1)C2=CC[N@@](CC2)CCCCN3c4cccc(c4C(=O)NC3=O)F	FRQ	5-fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2h)-yl)butyl]quinazoline-2,4(1h,3h)-dione
+C[C@@H]1CC=CC(=O)[C@H]([C@H](C\C=C\c2cc(cc(c2C(=O)O1)O)OC)O)O	FRR	(3r,5z,8s,9s,11e)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
+Cc1cc(c(o1)C(F)(F)F)NC(=O)/N=C\2/NC=C(S2)CCNc3cc(ncn3)Nc4nc[nH]n4	FRS	1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2z)-5-(2-{[6-(1h-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3h)-ylidene]urea
+Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC	FRT	n-(2-methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O	FRU	beta-d-fructofuranose
+Cc1ncc(n1C2CC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)NC	FRV	4-{[4-(1-cyclopropyl-2-methyl-1h-imidazol-5-yl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide
+CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)O	FRW	4-[[(2s)-3-methyl-1-oxo-1-[(2s)-2-[[(3s)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid
+c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)NCCO)NC(=O)c3cc4cc(sc4[nH]3)Cl	FRX	(s)-2-chloro-n-(1-(2-(2-hydroxyethylamino)-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-6h-thieno[2,3-b]pyrrole-5-carboxamide
+c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)N)NC(=O)C3=CC4=CC(SC4=N3)Cl	FRY	(2s)-n-[(3s)-1-(2-amino-2-oxoethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-2-chloro-2h-thieno[2,3-b]pyrrole-5-carboxamide
+c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5nn4)N	FRZ	5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1h-pyrazolo[3,4-c]pyridazin-3-amine
+S[Fe]1S[Fe]S1	FS0	fe2/s3 cluster
+S=[Fe]	FS1	iron/sulfur cluster
+O1[Fe][O@]2[Fe]134O[Fe]356[S@@]4[Fe@]52S6	FS2	fe-s-o hybrid cluster
+S1[Fe]234[Fe]156[S]2[Fe]35(S4)S6	FS3	fe3-s4 cluster
+[S]12[Fe]3456[Fe]1789[Fe]2312[Fe]47([S]58)([S]61)[S]92	FS4	iron/sulfur cluster
+S(SS[Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)SS[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71	FS5	iron/sulfur penta-sulfide connected clusters
+C[C@H]1CCc2c(c(c3ccccc3n2)C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)S(=O)(=O)N)C1	FS7	(2s)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2s)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
+c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)OC[C@@H](CO)O	FS8	n-{5-[(7-{[(2r)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5h-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide
+c1cc(cc(c1)NC(=O)C2CCN(CC2)c3c4c([nH]cn4)ncn3)C(F)(F)F	FS9	1-(9h-purin-6-yl)-n-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
+C1[C@H]([C@H]([C@@H]([C@](O1)(CSCC(=O)O)O)O)O)O	FSA	1-s-(carboxymethyl)-1-thio-beta-d-fructopyranose
+c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F	FSB	n-(2-fluoro-benzyl)-4-sulfamoyl-benzamide
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C)O)[C@H](C)COC(=O)C)O)C)COC	FSC	fusicoccin
+C[C@@H]1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)c3ccc(cc3)NC(=O)[C@](C)(CO)N)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)N(C)C)O)O	FSD	amicetin
+c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O	FSE	3,7,3',4'-tetrahydroxyflavone
+O1[Fe][Fe][S@]2[Fe@]13[Fe]2S3	FSF	4fe-2s-o hybrid cluster
+[C@H](C(=O)NO)(F)P(=O)(O)O	FSG	[(1s)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]phosphonic acid
+Cc1cc2c(cc1C)N(C(=O)[C@@]3(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FSH	 (2r,3s,4s)-5-[(4r)-6',7'-dimethyl-2,3',5-trioxo-1'h-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'h)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate 
+CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O	FSI	5-acetamido-3,5-dideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CF)N)N)N)O	FSJ	(1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(fluoromethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside
+CC1=C(N(C(=O)NC1=O)C)/C=C(/CO)\CF	FSK	6-[(1z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C(CC(=O)O)C(=O)O	FSL	(2r)-2-phenylbutanedioic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)O)NC(=O)C)CO)O)O	FSM	forsmann antigen
+c1cc(ccc1CN2C(=O)[C@H]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)C(=[NH2+])N)F	FSN	(3asr,4rs,8asr,8brs)-4-(2-(4-fluorobenzyl)-1,3-dioxodeacahydropyrrolo[3,4-a] pyrrolizin-4-yl)benzamidine
+O1[Fe]O[Fe]234([Fe@@]15[S@]2[Fe@@]3(O4)S5)[S]	FSO	iron/sulfur/oxygen hybrid cluster
+CCCC[C@@H](C(=O)C(=O)Nc1ccn[nH]1)NC(=O)OCC2(CCC2)Cc3ccc(cc3)F	FSP	[1-(4-fluorobenzyl)cyclobutyl]methyl (1s)-1-[oxo(1h-pyrazol-5-ylamino)acetyl]pentylcarbamate
+C[C@]1(C[C@H](C[C@H]([C@@H]1O)O)C(=O)O)O	FSQ	(1~{s},3~{r},4~{s},5~{r})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1[C@H]([C@H](CO)O)O)(C(=O)O)F)F)O	FSR	(2s,3s,4r,5r,6r)-5-acetamido-2,3-bis(fluoranyl)-4-oxidanyl-6-[(1s,2s)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C	FSS	3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CCOP(=S)(OCC)Oc1ccc(cc1)[S@](=O)C	FST	o,o-diethyl o-{4-[(r)-methylsulfinyl]phenyl} phosphorothioate
+COCCCN1Cc2cccc(c2C1=O)C(=O)N	FSU	2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1h-isoindole-4-carboxamide
+c1cc(c(cc1/C=C/c2cc(cc(c2)O)O)F)O	FSV	5-[(e)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O	FSW	methyl 6-deoxy-2-se-methyl-2-seleno-alpha-l-galactopyranoside
+[O][Fe]1O[Fe@@]23S[Fe]245[S]3[Fe@@]4(O1)S5	FSX	bis-(mu-2-oxo),[(mu-3--sulfido)-bis(mu-2--sulfido)-tris(cys-s)-tri-iron] (aqua)(glu-o)iron(ii)
+Cc1c(c2cccnc2n1Cc3ccc(cc3C(F)(F)F)S(=O)(=O)C)CC(=O)O	FSY	fevipiprant
+[H]/N=C(/N)\Nc1cc(cc(c1)C(F)(F)F)C2CCNCC2	FSZ	1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine
+c1ccc(cc1)Oc2ccc(cc2O)C=O	FT0	3-hydroxy-4-phenoxybenzaldehyde
+c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl	FT1	4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
+c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl	FT2	5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
+c1cc(c(cc1CO)O)Oc2ccc(cc2Cl)Cl	FT3	2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol
+CN([C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4ccc(cc4)F	FT4	[(3r)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9h-carbazol-9-yl]acetic acid
+C1[C@H](C(C(CC1C(=O)O)O)O)O	FT5	(3~{r})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
+c1cc2c(cc1F)[nH]cc2C[C@@H](C(=O)O)N	FT6	6-fluoro-l-tryptophan
+CC[C@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4F)F)C)C	FT7	1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-n-[(1r)-1-phenylpropyl]-1h-indole-5-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S	FT8	omapatrilat
+c1ccc(cc1)Nc2ccc(cc2)N\C=C(\C#N)/c3n[nH]nn3	FTA	3-(4-phenylamino-phenylamino)-2-(1h-tetrazol-5-yl)-acrylonitrile
+CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)Cc4ccccc4F	FTB	n-{4-[1-(2-fluorobenzyl)-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-ylmethyl]-phenyl}-acetamide
+CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)Cl	FTC	n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-chloro-pyridyl]-thiourea
+C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2CC(=C(NC2=O)N)F	FTD	[(2r,5s)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2h)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate
+c1ccc(cc1)N=C=S	FTE	phenylisothiocyanate
+c1ccc(cc1)CNC[C@@H](CC[C@@H](C(=O)NCCc2ccc(cc2)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	FTG	(2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-n-[2-(4-hydroxyphenyl)ethyl]hexanamide
+Cn1cncc1C[C@@H](C(=O)N2CCC(=C(C2)c3cccc4c3cccc4)C#N)NCc5ccc(cc5)C#N	FTH	1-[2-(4-cyano-benzylamino)-3-(3-methyl-3h-imidazol-4-yl)-propionyl]-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile
+c1ccc2c(c1)cccc2C3=C(CCN(C3)C(=O)Cc4cncn4Cc5ccc(cc5)C#N)C#N	FTI	1-{2-[3-(4-cyano-benzyl)-3h-imidazol-4-yl]-acetyl}-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl	FTJ	(2r)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid
+c1ccc(cc1)C(=O)CC(=O)CC(=O)C(F)(F)F	FTK	6,6,6-trifluoro-1-phenylhexane-1,3,5-trione
+Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(c(c3)c4cccc5c4cccc5)C#N	FTL	4-[(3-cyano-benzyl)-(3-methyl-3h-imidazol-4-ylmethyl)-amino]-2-naphthalen-1-yl-benzonitrile
+C(C(=O)N)F	FTM	2-fluoroacetamide
+CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F	FTN	n-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2ccccc2)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	FTO	~{tert}-butyl ~{n}-[(2~{s},3~{r},5~{r})-6-[[(2~{s})-1-[[(2~{s})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
+Cc1c(sc[n+]1Cc2cnc(nc2N)C(F)(F)F)CCOP(=O)([O-])[O-]	FTP	3-(4-amino-2-trifluoromethyl-pyrimidin-5-ylmethyl)-4-methyl-5-(2-phosphonatooxy-ethyl)-thiazol-3-ium
+CCCCn1cc[n+](c1[Au]c2n(cc[n+]2C)CCCC)C	FTQ	bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold
+c1cc2c(cc1F)c(c[nH]2)C[C@@H](C(=O)O)N	FTR	fluorotryptophane
+c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CN[C@H](C2)CF	FTS	(3r)-3-(fluoromethyl)-n-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
+CCCCCCCCCCC[C@H](CC(=O)O)O	FTT	3-hydroxy-tetradecanoic acid
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)F	FTU	5-fluorotubercidin
+C[C@H](C(=O)O)Oc1ccc(cc1Cl)Cl	FTV	(2r)-2-(2,4-dichlorophenoxy)propanoic acid
+CC(C)(CO)NCCn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5ccc(c6c5cccc6)OC	FTW	5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide
+COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4Cl	FTX	(1s)-1-[(7-chloranyl-1h-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1h-isoquinoline-2-carbaldehyde
+c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)P(=O)(O)O	FTY	deoxy-difluoromethelene-phosphotyrosine
+c1cc(c(c(c1)Cl)CNc2[nH]nc(n2)c3ccco3)F	FTZ	n-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2h-1,2,4-triazol-3-amine
+c1cc(oc1)CCOC(=O)O	FU0	2-(furan-2-yl)ethyl hydrogen carbonate
+C1CCOC1	FU1	tetrahydrofuran
+c1cc(oc1)C=O	FU2	furfural
+c1c(cc(c(c1OCCCC(F)(F)F)c2c3c(nc(n2)N)CN(C3)C(=O)NC4CCC4)Cl)Cl	FU3	2-amino-n-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidine-6-carboxamide
+C[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O	FU4	2,6-anhydro-1-deoxy-d-galactitol
+Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F	FU5	4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine
+C=CC(=O)Nc1cc(cc(c1)C(=O)NCC#C)c2c3ccccc3[nH]n2	FU6	3-(1h-indazol-3-yl)-5-(prop-2-enoylamino)-n-prop-2-ynyl-benzamide
+CC(CNC(=O)N1Cc2c(nc(nc2c3c(cc(cc3Cl)Cl)OCCn4cccn4)N)C1)(F)F	FU7	2-amino-4-{2,4-dichloro-6-[2-(1h-pyrazol-1-yl)ethoxy]phenyl}-n-(2,2-difluoropropyl)-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidine-6-carboxamide
+C1C[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])(C#N)C#[O+]	FU8	dicarbonyl[bis(cyanide-kappac)]-mu-(ethanethiolatato-1kappas:2kappas)-mu-(ox omethylidene)diiron(2+)
+c1cc(cc(c1)Nc2c3c(cnc(n3)NC4CC4)c5ccc(cc5n2)C(=O)O)C(F)(F)F	FU9	3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid
+C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C	FUA	fusidic acid
+C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O	FUB	beta-l-arabinofuranose
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O	FUC	alpha-l-fucopyranose
+C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O	FUD	d-fructose
+C[C@@H]1CN([C@H](CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(c5c4cc(cn5)Cc6ccc(cc6)F)(C)C	FUE	2-[[(2~{r},5~{r})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{h}-isoindol-1-one
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)F)O)O	FUF	2-deoxy-2-fluoro-beta-l-fucopyranose
+CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC)C	FUG	fumagillin
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O	FUH	[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{s},5~{r},6~{r})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{r})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate
+CC(C)C1=C(C(=O)N(N1C)c2ccccc2)NC(=O)Nc3ccc(cc3)Cl	FUI	n-(4-chlorophenyl)-n'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1h-pyrazol-4-yl]urea
+COc1ccc2c(c1)OC(=O)C=C2CP(=O)(O)O	FUJ	[(7-methoxy-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+C[C@@H]1CN([C@H](CN1)CN2[C@@H](COC[C@H]2C)C)CC(=O)N3CC(c4c3cc(cn4)[C@H](c5ccc(cc5)F)O)(C)C	FUK	2-[(2~{r},5~{r})-2-[[(3~{r},5~{r})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{s})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{h}-pyrrolo[3,2-b]pyridin-1-yl]ethanone
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O	FUL	beta-l-fucopyranose
+C(=C/C(=O)O)\C(=O)O	FUM	fumaric acid
+c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl	FUN	5-(aminosulfonyl)-4-chloro-2-[(2-furylmethyl)amino]benzoic acid
+c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCN(CC4)C(=O)CC5CC5	FUO	2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-n-(phenylmethyl)ethanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)F	FUP	2',3'-dideoxy-3'-fluoro-urididine-5'-diphosphate
+O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O	FUQ	mo5 cluster
+c1cc(oc1C=NN2C=COC2=O)[N+](=O)[O-]	FUR	furazolidone
+NS(=O)(=O)N	FUS	sulfuric diamide
+c1cc(cc(c1)OCC(=O)O)CNC(=O)Nc2nnc(o2)c3ccco3	FUU	2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid
+c1cc2c(cc1Cl)C(=N[C@@H]3CC=CC[C@H]3O2)N4CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	FUV	(5ar,9ar)-2-chloro-11-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine
+c1cc(oc1CO)C=O	FUX	5-hydroxymethyl-furfural
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)N=[N+]=N)O)O)O	FUY	beta-l-fucosyl-azide
+c1ccc(c(c1)C(=O)O)NCc2ccco2	FUZ	2-[(furan-2-ylmethyl)amino]benzoic acid
+CC(C)CNC[C@H]([C@H](Cc1ccccc1)N)O	FV0	(2r,3s)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol
+C[C@H]1[C@H](O1)[P@](=O)(O)O[V](=O)(O)O	FV1	dihydroxy{[(2r,3s)-3-methyloxiran-2-yl]phosphonato-kappao}oxovanadium
+[O][Mo]12(O[Mo]3(O[Mo]456(O3[Mo]7(O1)(O2[Mo]8(O7[Mo]91(O4)(O8[Mo]2(O9[Mo](O15)(O2)(O6)([O])[O])([O])([O])[O])[O])([O])([O])[O])([O])[O])[O])([O])([O])[O])([O])[O]	FV2	mo8 cluster
+CC(=CCC/C(=C/CC/C(=C/COC[C@H](CO)O)/C)/C)C	FV3	(2s)-3-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
+Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)Cl	FV4	6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=O)(=O)C	FV5	(1r,2s)-1-hydroxy-2-{[n-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5ccccc5Cl)Cl	FV7	6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole
+C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCc3c[nH]cn3)O	FV8	(4~{s},5~{r})-2-[2,3-bis(oxidanyl)phenyl]-~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-~{n}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide
+c1cc(cc(c1)NC(=O)c2ccc(cc2)F)c3nc(c4ccsc4n3)NC(P(=O)(O)O)P(=O)(O)O	FV9	{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
+CC(C)[C@@H](C(=O)O)NC=O	FVA	n-formyl-l-valine
+B(c1ccc(cc1C)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)(O)O	FVC	[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)C5=CCNCC5)Cl	FVD	6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1h-benzimidazole
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=O)(=O)C	FVE	(1s,2s)-1-hydroxy-2-{[n-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(O)O[C@@H](Cc3ccccc3)C(=O)O	FVF	o-((((n-phenyl-methoxy-carbonyl)-phenyl alanyl-carbonyl)amino)-isobutyl)hydroxy phosphinyl)-3-phenylacetic acid
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)N5CCC[C@H]5CN)Cl	FVG	1-[(2s)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CCC[C@H](C5)C(=O)N)O)O)O)OP(=O)(O)O)N	FVH	[[(2~{r},3~{s},4~{r},5~{r})-5-[(3~{r})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5c([nH]nc5C)C)Cl	FVJ	6-chloro-4-(3,5-dimethyl-1h-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole
+c1cc(ccc1O)OC[C@H](CNCCNC(=O)N2CCOCC2)O	FVK	~{n}-[2-[[(2~{s})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)c6c([nH]nc6C)C)Cl	FVM	6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1h-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1h-benzimidazole
+C[C@@H](Cc1ccc(cc1)OC)NC[C@H](c2ccc(c(c2)NC=O)O)O	FVN	~{n}-[5-[(1~{s})-2-[[(2~{s})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide
+Cc1cc(cc(c1O)C)C(=O)NC[C@H]([C@H]([C@H]2[C@@H]([C@H](C[C@@](O2)(C(=O)O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OCCN)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCCC6)O)O	FVP	2-aminoethyl 5-{[(4-cyclohexyl-1h-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranonosyl-(2->6)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranoside
+c1cc(cnc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	FVQ	3-(pyridin-3-yl)prop-2-yn-1-yl alpha-d-mannopyranoside
+CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc(cc4)OCc5ccccc5	FVR	3-methyl-2-[[(3r,5r)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5h-pyrrolo[3,2-d]pyrimidin-4-one
+C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCC[S@@](=O)CCCC(C(F)(F)F)(F)F)O	FVS	(7beta,9beta,13alpha,17beta)-7-{9-[(r)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol
+C(CC(=O)O)C(=O)CN	FVT	5-azanyl-4-oxidanylidene-pentanoic acid
+c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F	FVV	10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
+CN(c1ccc(nc1)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	FVW	(2~{s})-2-[[(2~{s})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F	FVX	fluvoxamine
+Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F	FVY	1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1h-benzimidazol-2-amine
+c1cc(ccc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F	FVZ	(2~{s})-2-[[(2~{s})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O)[C@H](C)COC(=O)C)O)C)COC	FW1	fusicoccin a aglycone
+C([C@H]([C@H](CO)O)O)C(=O)C(=O)O	FW2	l-2-keto-3deoxy-gluconate
+Cc1cc2c(cc1C)n(c(n2)N3CCNCC3)Cc4ccc(c(c4)Cl)F	FW4	1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1h-benzimidazole
+COC[C@H](CO)O	FW5	(2~{s})-3-methoxypropane-1,2-diol
+CCc1cccc(c1)OP(=O)(O)O	FW6	(3-ethylphenyl) dihydrogen phosphate
+c1cc(c(cc1Cn2c3cc(ccc3nc2N4CCNCC4)Cl)Cl)F	FW7	6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1h-benzimidazole
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCn4cc(nn4)c5ccnc(c5)NC(=O)Nc6cccc7c6[C@@H]8CCCCN8C7=O	FW8	1-[(10~{b}~{s})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{h}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea
+COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)OCO4	FW9	n4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
+Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)N6CCN(CC6)C)Cl	FWA	6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1h-benzimidazole
+C[C@@H](Cc1cc(cc(c1)O)C(F)(F)F)N	FWB	3-[(2~{s})-2-azanylpropyl]-5-(trifluoromethyl)phenol
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4NC)O	FWC	n-methylanthraniloyl-coa
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F	FWD	2-amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
+C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3C=C(N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O)N	FWE	4-[[4-[[4-[(3~{s})-5-azanyl-3-[[4-[[(~{e})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2-oxidanylidene-3~{h}-pyrrol-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid
+C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C(C)C	FWF	n,n'-[biphenyl-4,4'-diyldi(2r)propane-2,1-diyl]dipropane-2-sulfonamide
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCCC4	FWG	cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
+Cc1cc(c2ccccc2n1)C(=C)c3ccc4c(c3)c5ccccc5n4C	FWH	9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C	FWI	(1r,2s)-2-{[n-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl]propane-1-sulfonic acid
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Cc4ccc(cc4)F	FWJ	2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+CC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	FWK	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol
+C(CC(=O)O)c1c(c([nH]c1I)CN)CC(=O)O	FWL	3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1h-pyrrol-3-yl]propanoic acid
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)CC4CCCCC4	FWM	2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+CCOCCOCCOCCO	FWN	2-[2-(2-ethoxyethoxy)ethoxy]ethanol
+CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N	FWO	(2s)-2-[[(3s)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid
+COc1ccc(c(c1)OC)CC(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4	FWP	2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-]	FWQ	p-sulfonatocalix[6]arene
+C[C@H]1CN(CCN1C(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c4cccc5c4ccnc5	FWS	(2s)-n-(2h-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-]	FWT	p-sulfonatocalix[8]arene
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Nc4cccc(c4Cl)Cl	FWV	n-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide
+C/C(=C\c1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3CC(=O)N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O	FWW	4-[[4-[[4-[(3~{s})-3-[[4-[[(~{e})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid
+CCNc1nc2c(c(n1)C(=O)N)CN(CC2)C(=O)CCc3ccc(cc3)C(C)C	FWX	2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5h-pyrido[4,3-d]pyrimidine-4-carboxamide
+c1cc(cc(c1)[N+](=O)O)C(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4	FWY	hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium
+Cc1c(scn1)c2ccc(c(c2)OCCc3ccc(cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@H](C(C)(C)C)NC(=O)C8(CC8)F)O	FWZ	(2~{s},4~{r})-~{n}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{s})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O	FX0	(2s,4r)-4-[(3r,5s,6r,7r,8r,9s,10s,12s,13r,14s,17r)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid
+C([C@@H]1C(=O)[C@@H]([C@](O1)(CO)O)O)O	FX1	beta-d-threo-hexo-2,4-diulo-2,5-furanose
+CC1C(=O)c2ccc(cc2N=C1c3cnn(c3)Cc4ccc(cc4)OC(F)(F)F)OC	FX2	7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{h}-quinolin-4-one
+COc1cc(ccc1O)\C=C\C(=O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)O)O)O	FX3	5-o-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-l-ribofuranose
+COc1ccc(cc1OCC(=O)O)\C=C/2\C(=O)N(C(=O)S2)CC(=O)O	FX4	[(5z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
+c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O	FX5	2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol
+CC[C@@H](C(=O)O)Sc1[nH]c2c(n1)c(ncn2)N	FX6	(2s)-2-[(6-azanyl-9h-purin-8-yl)sulfanyl]butanoic acid
+CCCCCCCC(=O)Oc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-]	FX7	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl octanoate
+Cc1c(scn1)c2ccc(c(c2)OCCOCCOCCN3CCN(CC3)c4cc(nnc4N)c5ccccc5O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@H](C(C)(C)C)NC(=O)C7(CC7)F)O	FX8	(2~{s},4~{r})-~{n}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{s})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1ccc(c(c1)NC(=O)c2ccc(cc2)N3C=CC=CC3=O)S(=O)(=O)Nc4ccc(cn4)Cl	FXA	n-(2-(((5-chloro-2-pyridinyl)amino)sulfonyl)phenyl)-4-(2-oxo-1(2h)-pyridinyl)benzamide
+CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2	FXB	5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione
+c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]	FXD	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl benzoate
+Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC	FXE	1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea
+CCCCNC(=O)c1cccc(c1)NC(=O)CCCCCNc2c3c([nH]cn3)ncn2	FXG	n-butyl-3-{[6-(9h-purin-6-ylamino)hexanoyl]amino}benzamide
+CN(C)Cc1c2ccccc2ccc1O	FXH	1-[(dimethylamino)methyl]naphthalen-2-ol
+CCCCN(C(=O)Nc1ccc(cc1)Cl)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C	FXI	1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-n-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide
+COc1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]	FXJ	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate
+c1ccc2c(c1)c(c[nH]2)CO	FXK	1~{h}-indol-3-ylmethanol
+CC/C=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C	FXM	2,2-dimethylpropanoyloxymethyl (2r)-5-(aminocarbonyloxymethyl)-2-[(1r)-1-[[(z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]- 3,6-dihydro-2h-1,3-thiazine-4-carboxylate
+c1cc2c(cc1F)cc([nH]2)C(=O)NCCS	FXN	5-fluoro-1h-indole-2-carboxylic acid-(2-mercapto-ethyl)-amide
+[H]/N=C(/N)\NCCCCNC(=N)N	FXQ	1-(4-carbamimidamidobutyl)guanidine
+CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)NCc4cccnc4)C2=O	FXR	6-azanyl-11-methyl-2-oxidanylidene-n-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide
+c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-]	FXS	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate
+[H]/N=C(/N)\NCCCCCNC(=N)N	FXT	1-(5-carbamimidamidopentyl)guanidine
+CS(=O)(=O)CC[C@H](C(=O)Nc1cccc(c1)OC(F)(F)F)N	FXU	(2r)-2-azanyl-4-methylsulfonyl-n-[3-(trifluoromethyloxy)phenyl]butanamide
+C[C@H]([C@@H](Cc1cccc(c1)C(=[NH2+])N)C(=O)OC)NC(=O)c2ccc(cc2)c3cc[n+](cc3)[O-]	FXV	methyl-3-(4'-n-oxopyridylphenoyl)-3-methyl-2-(m-amidinobenzyl)-propionate
+c1cc2c(cc1CCc3ccc4c(c3)N(CNS4(=O)=O)C5CC5)N(CNS2(=O)=O)C6CC6	FXW	6,6'-(ethane-1,2-diyl)bis(4-cyclopropyl-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide)
+c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CC(=O)O)N	FXX	(3r)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid
+CCCCCC[C@@H](C)NC=O	FXY	1-methylheptylformamide
+CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)O	FY0	(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoic acid
+COCOc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-]	FY1	n-{[3,5-dibromo-2-(methoxymethoxy)phenyl]methyl}-2-nitrobenzamide
+c1cc(c(c(c1C[C@@H](C(=O)O)N)F)F)O	FY2	2,3-difluoro-l-tyrosine
+c1c(c(c(c(c1F)O)F)F)C[C@@H](C(=O)O)N	FY3	2,3,5-trifluoro-l-tyrosine
+c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Cl)Br)Br)[N+](=O)[O-]	FY4	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate
+C[C@]12CC[C@H]3c4ccc(cc4CC[C@@H]3[C@@H]1CCC2=O)OS(=O)(=O)O	FY5	estrone 3-sulfate
+C[C@@H](c1nccn1CCCc2ccc(cc2)Cl)O	FY6	(1s)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol
+c1ccc(c(c1)C#N)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]	FY7	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate
+c1cc(c(cc1Cl)NC(=O)C2CCNCC2)O	FY8	n-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide
+CS(=O)(=O)C[C@@H]([C@H](C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(cc3)CO)N)O	FY9	(2r,3r)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one
+c1ccc(cc1)C[C@@H](CO[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	FYA	adenosine-5'-[phenylalaninol-phosphate]
+c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCC(CC3)(F)F)O	FYB	~{n}-[[4,4-bis(fluoranyl)-1-oxidanyl-cyclohexyl]methyl]-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide
+C/C(=C\c1ccccc1F)/C(=O)NCc2ccc3c(c2)NC(=O)N3	FYC	3-(2-fluorophenyl)-2-methyl-n-((2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)methyl)acrylamide
+COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-]	FYD	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate
+c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O	FYE	6-fluoranyl-~{n}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide
+C[C@@H](c1nccn1Cc2cc(on2)c3ccccc3)O	FYF	(1s)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol
+C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N	FYG	(2s,5r)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
+c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3CCOCC3	FYH	3-(morpholin-4-ylmethyl)-~{n}-[4-(trifluoromethyloxy)phenyl]benzamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC	FYI	n-{(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-isoleucyl-l-aspartamide
+c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O	FYJ	phenyl 1-thio-beta-d-glucopyranosiduronic acid
+c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O	FYK	3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
+C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)OCC(CO)(CO)N)O	FYL	2-azanyl-2-[[4-[2-[3-[[2-[(1s)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol
+CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3c(cc2C(=O)NCc4ccc(cc4)OC)OCO3	FYM	2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O	FYN	s-{(9r,13s,15r)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate 
+C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N	FYO	4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1h-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile
+CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F	FYP	ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
+CNC(=O)C[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N	FYQ	n~2~-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-glutaminyl-l-aspartamide
+c1ccc(cc1)c2ccc(c(c2)O)C(=O)O	FYR	2-oxidanyl-4-phenyl-benzoic acid
+CC[C@@H](c1ccc(cc1)O)C(c2ccc(cc2)O)c3ccc(cc3)O	FYS	4,4',4''-[(2r)-butane-1,1,2-triyl]triphenol
+C1=C(C(=O)NC(=O)N1)C=O	FYU	2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
+c1cc2ncc(n2nc1)c3ccncc3	FYV	3-(pyridin-4-yl)imidazo[1,2-b]pyridazine
+c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4cncnc4)OC(F)(F)F	FYW	6-[(3~{r})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{n}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide
+c1cnccc1c2[nH]nc(n2)c3ccnc(c3)C#N	FYX	4-(5-pyridin-4-yl-1h-1,2,4-triazol-3-yl)pyridine-2-carbonitrile
+B(c1ccccc1)(c2ccc(cc2)Br)OCCN	FYY	2-aminoethyl (4-bromophenyl)phenylborinate
+c1ccc(cc1)c2ccc(cc2)C#CCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	FYZ	(2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-[3-(4-phenylphenyl)prop-2-ynoxy]oxane-3,4,5-triol
+c1cc(cc(c1)OC(F)(F)F)NC(=O)CN	FZ0	2-azanyl-n-[3-(trifluoromethyloxy)phenyl]ethanamide
+COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5	FZ1	4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline
+c1cc(ccc1CCCn2ccnc2)Cl	FZ3	1-[3-(4-chlorophenyl)propyl]imidazole
+B(c1ccccc1)(c2ccccc2)OCCN	FZ4	2-aminoethyl diphenylborinate
+CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	FZ5	scorzodihydrostilbene a
+c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CO)N	FZ6	(2r)-2-azanyl-3-oxidanyl-n-[3-(trifluoromethyloxy)phenyl]propanamide
+c1ccc2c(c1)[nH]c(n2)C3CCN(CC3)c4c5cn[nH]c5ncn4	FZ8	4-[4-(1h-benzimidazol-2-yl)piperidin-1-yl]-1h-pyrazolo[3,4-d]pyrimidine
+c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)c4c5cn[nH]c5ncn4	FZ9	4-[4-(1h-indol-3-yl)-3,6-dihydropyridin-1(2h)-yl]-1h-pyrazolo[3,4-d]pyrimidine
+CN1c2cccc(c2C(=O)N3[C@H]1c4c(c5c([nH]4)cccc5OC)CC3)OC	FZA	(13bs)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7h)-one
+CC1=Cc2ccnc(c2NC1=O)NC3C[C@H]4CC[C@@H](C3)N4C	FZB	3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1h)-one
+Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCC(CC6)(F)F)N5	FZE	8-(((1r,2r,3r,5s)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1h)-one
+COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)C(=O)N5CCOCC5	FZF	4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCS(=O)(=O)CC6)N5	FZH	8-[[(1~{s},2~{r},3~{r},5~{r})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{h}-quinolin-2-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C	FZI	(1s,2s)-2-{[n-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl]propane-1-sulfonic acid
+CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C	FZJ	3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O	FZK	5'-o-(n-(l-seryl)-sulfamoyl)uridine
+COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)N5CCCC5=O	FZL	4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1ccc(cc1)c2cn3c(n2)CCC3	FZM	2-phenyl-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole
+C/C(=N/CCCC[C@@H](C(=O)O)N)/S[C@@H]1[C@@H]([C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	FZN	(2s)-2-amino-6-{[(1z)-1-{[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid
+COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCOCC4)N5CCCC5=O	FZO	2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCC(=O)Nc1cccc(c1)N(c2ccnc(n2)Nc3ccn(n3)C)C(=O)OCc4ccc(cc4)F	FZP	(4-fluorophenyl)methyl {2-[(1-methyl-1h-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O	FZQ	5'-o-(n-(l-seryl)-sulfamoyl)cytidine
+Cn1cc(cn1)Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4	FZR	4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO)[C@@H]2N=C(C(=C)CS2)C(=O)O	FZS	(2r)-2-[(1s)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O	FZT	5'-o-(n-(l-seryl)-sulfamoyl)n3-methyluridine
+C1[C@@H]([C@H]([C@H]([C@](O1)(CO)O)O)O)O	FZU	(2r,3r,4r,5s)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3	FZV	tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+Cc1ccc(cc1Nc2nc(nc(n2)c3cccnc3)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	FZW	3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+c1ccc(cc1)Cn2ccnc2C(=O)O	FZX	1-(phenylmethyl)imidazole-2-carboxylic acid
+Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C	FZZ	1-deoxy-5-o-phosphono-1-[(10ar)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6h-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-d-ribitol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	G	guanosine-5'-monophosphate
+[H]/N=C(/N)\SCc1ccc(c(c1)Cl)OCCCC	G00	4-butoxy-3-chlorobenzyl imidothiocarbamate
+C[P@](=O)(N[C@H](CCC(=O)O)C(=O)O)O	G01	n-[(r)-hydroxy(methyl)phosphoryl]-d-glutamic acid
+Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cnccn4)C)C(=O)Nc5cccc(c5)C(F)(F)F	G02	4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCSC)C(=O)OC)O	G03	methyl (2s)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC	G04	(3r,3as,4r,6ar)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)OC2C[C@@H]3[C@H](C2)OCCO3)O)S(=O)(=O)c4ccc(cc4)OC	G05	(4ar,6r,7as)-hexahydro-4ah-cyclopenta[b][1,4]dioxin-6-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCSC)C(=O)OC)O	G06	methyl (2s)-2-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)O	G07	4-{[(2r,3s)-3-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)N	G08	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2CC=C)c4ccc(cc4)OCc5ccccc5	G09	2-[[(3~{r},5~{r})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{h}-pyrrolo[3,2-d]pyrimidin-4-one
+C1[C@H]([C@@H]([C@H]([C@H]([C@H]1NC(=[NH2+])N)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O)O)NC(=[NH2+])N	G0B	(1s,2r,3s,4r,6s)-4,6-bis{[amino(iminio)methyl]amino}-2-{[3-o-(2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-l-glucopyranosyl)-beta-d-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-bis{[amino(iminio)methyl]amino}-2,6-dideoxy-beta-l-glucopyranoside
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCSC)O	G0C	[6-methyl-4-[(e)-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3	G0D	tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cncnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F	G0E	4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCSC)O	G0F	[6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5	G0G	n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(n-benzylbenzenesulfonamide)
+Cc1ccc(cc1Nc2c3ccccc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	G0H	4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN[C@H](Cc2ccccc2)C(=O)NCc3cccnc3	G0J	nalpha-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-n-[(pyridin-3-yl)methyl]-d-phenylalaninamide
+Cc1ccc(cc1Nc2c3cccnc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	G0K	4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3	G0M	tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+Cc1ccc(cc1Nc2nc(nc(n2)c3ccncc3)c4ccncc4)C(=O)Nc5cccc(c5)C(F)(F)F	G0N	3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+C[C@H](CS)C(=O)Nc1cccc(c1)c2n[nH]nn2	G0O	(s)-n-(3-(2h-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide
+c1cc(ccc1C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	G0P	n-[(2s)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-d-galactopyranosyloxy)benzamide
+Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)Cl	G0Q	~{n}-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
+[H]/N=C(/N)\NCCCCNC(=O)C	G0R	n-(4-carbamimidamidobutyl)ethanamide
+C(CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)O	G0S	3-(beta-d-galactopyranosylthio)propanoic acid
+CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	G0T	(2s)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NCC4CCCC4)N5CCCC5=O	G0U	4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3	G0V	tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+CC[N+](CC)(CCCCCN1C(=CC(=O)N(C1=O)CCCCC[N+](CC)(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-]	G0W	1,3-bis[5(diethyl-o-nitrobenzylammonium)pentyl]-6-methyluracil
+c1cc(ccc1CNc2c(c(nc(c2Cl)Cl)C(=O)C3=C(CCCC3=O)O)Cl)Cl	G0X	3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCc3cccnc3	G0Y	tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=NC9C8N=CN=C9N)O)O)S)O)O	G0Z	[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-4,5-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2C(CO3)(F)F)O)S(=O)(=O)c4ccc(cc4)N	G10	(3r,3as,6as)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+Cc1ccc(cc1c2ccc(cn2)C(=O)NCC3CC3)C(=O)NC4CC4	G11	6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-n-(cyclopropylmethyl)pyridine-3-carboxamide
+CC1=C(C(=O)Oc2c1ccc(c2Br)O)Br	G12	3,8-dibromo-7-hydroxy-4-methyl-2h-chromen-2-one
+C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c3cccc4c3cccc4)C(C)(C)C)NC	G13	n-[(3ar,6s,6as)-1-(n-methyl-l-alanyl-3-methyl-l-valyl)octahydrocyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide
+c1ccc(cc1)c2[nH]cc(n2)C(=O)O	G14	2-phenyl-1h-imidazole-4-carboxylic acid
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3nc([nH]n3)c4ccc(s4)Cl	G15	5-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1h-1,2,4-triazole-3-sulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O	G16	1,6-di-o-phosphono-alpha-d-glucopyranose
+Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)NC(=O)c5cccc(c5)C(F)(F)F	G17	n-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
+c1ccc2c(c1)-c3ccsc3NC2=O	G18	4h-thieno[2,3-c]isoquinolin-5-one
+C[C@@H]1C=C[C@@]23C[C@@H](C(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)NC(=O)c4ccc(nn4)N)C)O	G19	(2s,3ar,4r,5s,6s,8r,9r,9ar,10r)-2,5-dihydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-prop[1]enocyclopenta[8]annulen-8-yl [(6-aminopyridazin-3-yl)carbonyl]carbamate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)([C@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N	G1C	5'-o-[(r)-{[(s)-[(s)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3	G1D	nalpha-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-n-[2-(pyridin-3-yl)ethyl]-d-phenylalaninamide
+CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc(cnc3)N	G1E	(2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide
+Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)OC)O)O)O	G1G	7-methyl-guanosine-5'-triphosphate-5'-(2'-o-methyl)-guanosine
+C[C@@H]1CCC[C@@H](N1C2=NC(=O)c3cc(cc(c3O2)[N+](=O)[O-])C(F)(F)F)C	G1H	2-[(2~{s},6~{r})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCc3cccnc3	G1J	tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+c1ccc(cc1)OCC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O	G1K	5-hydroxy-6-oxo-2-[(2s)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid
+CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F	G1L	3-chloro-2,2-dimethyl-n-[4-(trifluoromethyl)phenyl]propanamide
+C[C@@H]([P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O	G1M	2'-deoxy-5'-o-[(r)-hydroxy({(s)-hydroxy[(1r)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine
+c1cc(cnc1)S(=O)(=O)Nc2c(ncs2)C(=O)O	G1N	5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid
+CC1=CNC(=O)c2c1c(ccc2)N	G1O	5-amino-4-methylisoquinolin-1(2h)-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O	G1P	1-o-phosphono-alpha-d-glucopyranose
+c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=C(NC2=O)N	G1R	[(2r,3r,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCOP(=O)(Cn1ccc(n1)NC(=O)c2cc(cc(c2)OC(C)C)Oc3cnc(cn3)C(=O)N4CCC4)OCC	G1S	diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1h-pyrazol-1-yl]methyl}phosphonate
+c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F	G1T	8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one
+COC(=O)C1=C(C(=O)c2ccc(cc2N1c3ccccc3)F)Cc4ccc(cc4)S(=O)(=O)CCO	G1W	methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate
+C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)O)N	G1X	(2s)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid
+c1ccc(cc1)C(=O)NCc2cccc(c2)c3cn4c(n3)CCC4	G1Y	n-{[3-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide
+c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F	G1Z	8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one
+[H]/N=C(/N)\N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)C(=O)N(C)CCC)C(=O)O	G20	5-n-acetyl-4-guanidino-6-methyl(propyl) carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid
+CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](CC(O2)C(=O)O)N)NC(=O)C	G21	5-acetylamino-4-amino-6-(phenethylpropylcarbamoyl)5,6-dihydro-4h-pyran-2-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)O)C	G23	(2r,4s)-2-[(r)-benzylcarbamoyl-phenylacetyl-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
+Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O	G24	[4-(3-benzyl-4-hydroxybenzyl)-3,5-dimethylphenoxy]acetic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	G25	guanosine-5'-monophosphate
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)CO)C	G26	2-(benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid (hydroxymethyl-2-phenylethyl)amide
+c1ccc(cc1)CCC[N@@]2C[C@@H]([C@H]([C@@H](C2)O)O)CO	G27	(3r,4r,5r)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol
+CCN(CC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C	G28	5-n-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid
+CC#CCO[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C	G29	(6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione
+CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO	G2A	2-hydroxy-1-(hydroxymethyl)ethyl icosanoate
+C[C@@H]([C@@H](CNC(=O)N)N)O	G2B	1-[(2~{r},3~{s})-2-azanyl-3-oxidanyl-butyl]urea
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N=C(NC2=O)N	G2C	2'-deoxy-5'-o-[(s)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+Cc1ccc(cc1OC)C(=O)N[C@@H]2CCc3c2cc(cc3)c4cn5c(n4)CCC5	G2D	n-[(1r)-6-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1h-inden-1-yl]-3-methoxy-4-methylbenzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O	G2F	2-deoxy-2-fluoro-alpha-d-glucopyranose
+Cc1ccc(cc1)[n+]2c(cc([nH]2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)c5ccc(nc5)CN6CCOCC6	G2G	5-tert-butyl-2-(4-methylphenyl)-3-{[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1-naphthyl}amino)carbonyl]amino}-1h-pyrazol-2-ium
+C(C(CO)OP(=O)(O)O)O	G2H	2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate
+C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CO	G2I	(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl 4-o-beta-d-glucopyranosyl-beta-d-glucopyranoside
+COc1cccc(c1)C(=O)N(Cc2cccc(c2)c3cn4c(n3)CCC4)CC5CC5	G2J	n-(cyclopropylmethyl)-n-{[3-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide
+c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O	G2K	2-{(2s)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
+COCCO[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O	G2L	3'-o-methyoxyethyl-guanosine-5'-monophosphate
+CC(C)([P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O	G2M	2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine
+CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@H](N2)C)c3ccccc3	G2N	ethyl [(2r)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
+CCC1=C(C2=[N]3C1=Cc4c(c5c6n4[Mg]37N8C(=CC9=[N]7C(=C6[C@H](C5=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OC/C=C(/C)\CC=C[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)C=C)C)C)C	G2O	chlorophyll a ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N	G2P	phosphomethylphosphonic acid guanylate ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)NC(=NC2=O)N	G2Q	guanosine diphosphate ribose
+c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)N=C(NC2=O)N	G2R	[(2r,3r,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=S)(O)S)O)N=C(NC2=O)N	G2S	guanosine-5'-dithiophosphorate
+CCOP(=O)(Cc1csc(n1)NC(=O)c2cc(cc(c2)O[C@@H](C)COC)Oc3ccc(cc3)S(=O)(=O)C)OCC	G2T	diethyl {[2-(3-[4-(methanesulfonyl)phenoxy]-5-{[(2s)-1-methoxypropan-2-yl]oxy}benzamido)-1,3-thiazol-4-yl]methyl}phosphonate
+CN1CCc2c1ccc(c2)c3cn4c(n3)CCC4	G2V	6-(6,7-dihydro-5h-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline
+C[C@@H](C(F)(F)F)Nc1c(c(nc2n1ncn2)Cl)c3c(cc(cc3F)OCCCNC)F	G2X	6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-n-[(2s)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@]2([C@H]([C@@H]([C@@H](O2)CCl)O)O)CCl)O)O)Cl)O	G2Y	1,6-dichloro-1,6-dideoxy-alpha-l-sorbofuranosyl 4-chloro-4-deoxy-beta-d-galactopyranoside
+C[C@@H](CNC(=O)O)N	G2Z	[(2~{s})-2-azanylpropyl]carbamic acid
+c1cc(c(cc1F)NC(=O)[C@@H]2C[C@@H]2C(=O)O)F	G30	(1s,2r)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid
+C[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n2cnc3c2N=C(NC3=O)N	G31	3'-methyl-2',3'-deoxy-guanosine-5'-monophosphate
+COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	G32	o6-methyl-2'-deoxy-guanosine-5'-monophosphate
+Cc1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	G33	8-methyl-2'-deoxyguanosine 3'-monophosphate
+C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@@H]5CC[C@H](C4)N5C)C	G34	(3as,4r,5s,6s,8r,9r,9ar,10r)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]thio}acetate
+[H]/N=C(\N)/N[C@H]1C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	G35	(5r)-5-carbamimidamido-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)imidazolidine-2,4-dione
+CCOc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	G36	o6-ethyl-2'-deoxyguanosine-5'-monophosphate
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)[C@@H](CC(=O)NCc5[nH]c6ccccc6n5)O)C	G37	2-(benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid 3-[(1h-benzimidazol-2-ylmethylcarbamoyl)-1-benzyl-2-hydroxypropyl]-amide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N=C(NC2=O)N	G38	3'-amino-2'-deoxy-guanosine-5'-monophosphate
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O	G39	(3r,4r,5s)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N	G3A	guanosine-p3-adenosine-5',5'-triphosphate
+Cc1nnc(o1)c2ccc3c(c2)c(co3)c4ccc(cc4)[S@@](=O)C	G3B	2-methyl-5-(3-{4-[(s)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole
+c1cc(ccc1[C@H]2CNCCc3c2cc(c(c3Cl)O)O)O	G3C	(1r)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N	G3D	guanosine-3'-monophosphate-5'-diphosphate
+c1ccc2c(c1)C=C(C(=O)N2)O	G3E	3-hydroxyquinolin-2(1h)-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O	G3F	3-deoxy-3-fluoro-beta-d-glucopyranose
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)N)S(=O)(=O)c5ccc(cc5)N	G3G	n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(4-amino-n-benzylbenzenesulfonamide)
+C([C@H](C=O)O)OP(=O)(O)O	G3H	glyceraldehyde-3-phosphate
+C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)CO	G3I	(3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranoside
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cc[nH]n3)Nc4ccccc4Cl	G3J	1-[(2s,4r)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1h-pyrazol-3-yl)-3,4-dihydroquinolin-1(2h)-yl]ethan-1-one
+CC(C)(C(=O)N1CCC[C@@H]1C2=NC(=C(C(=O)N2)O)C(=O)O)Oc3ccc(cc3)Cl	G3K	2-{(2r)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+CC(=O)O[C@H]1CC(=O)OC([C@H]2[C@]1([C@H]3CC[C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3(C(=O)C2)C)O5)c6ccoc6)C)C)(C)C	G3L	nomilin
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](C(=O)O)N)O	G3M	(3s)-n~6~-carbamimidoyl-3-hydroxy-l-lysine
+C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)N	G3N	(2r,3r,4s,5s)-5-amino-3,4-dihydroxytetrahydro-2h-pyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1cc(c(c2c1[C@@H](O[C@@H](C2)C34CC5CC(C3)CC(C5)C4)CN)O)O	G3O	(1r,3s)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1h-isochromene-5,6-diol
+C([C@H](COP(=O)(O)O)O)O	G3P	sn-glycerol-3-phosphate
+CC(C)(C)NC[C@H](COc1ccc(cc1)NC(=O)NC2CCCCC2)O	G3Q	r-talinolol
+c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2	G3R	2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol
+CCCCCN1c2ccc(cc2C(=O)C1=O)SCCc3ccc(cc3)C(=O)O	G3S	4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1h-indol-5-yl)sulfanyl]ethyl}benzoic acid
+CC(C)(C)N1CCO[C@@H](C1)COc2ccc(cc2)NC(=O)NC3CCCCC3	G3T	1-[4-[[(2~{s})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea
+Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c(cccn3)OC(F)F	G3U	6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2cnc3c(n2)c(nc(n3)N)N)CO	G3V	n-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-l-glutamic acid
+c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F	G3W	2-(4-fluorophenyl)-~{n}-[(4-phenoxyphenyl)methyl]ethanamine
+COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N@](C2)CCCN5CCCCC5)C=C[C@@H](C4)O	G3X	(4as,6r,8as)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol
+CCNC(=O)Nc1cc2c(ccc(c2cn1)Nc3cccnc3)c4ccncc4	G3Z	1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea
+CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@@](CCC[N@](Cc1ccc(cc1)c2ccsc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O	G40	methyl n-[(2s)-1-[2-[(4r)-5-[[(2s)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-thiophen-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
+C1[C@@H]([C@H](OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O	G42	8-oxo-2'-deoxy-guanosine-5'-monophosphate
+CC(C)CN(C[C@H]([C@H](Cc1ccc(c(c1)Cl)OC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	G43	[(3~{a}~{s},4~{r},6~{a}~{r})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{n}-[(2~{s},3~{r})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate
+[H]/N=C(\c1ccc(cc1)CNc2cc(ccn2)C(=O)c3cccc(c3)C)/N	G44	4-({[4-(3-methylbenzoyl)pyridin-2-yl]amino}methyl)benzenecarboximidamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)S(=O)(=O)N(C)C)C#N)C(C)C)C#N)N	G45	5-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{n},~{n}-dimethyl-thiophene-2-sulfonamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)S)O)O)N=C(NC2=O)N	G46	guanosine-5'-monothiophosphate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)NCCS	G47	n2-ethanethiol-2'-deoxy-guanosine-5'-monophosphate
+COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O	G48	2'-o-methyoxyethyl-guanosine-5'-monophosphate
+CNC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	G49	n2-methyl-2'-deoxy-guanosine-5'-monophosphate
+CN\1c2ccccc2O/C1=C\c3[n+](c4ccccc4s3)CCCS(=O)(=O)O	G4A	2-[(z)-(3-methyl-1,3-benzoxazol-2(3h)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium
+CCCCCC/C=C\CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]2CCC(=O)N[C@H](C(=O)N[C@H](C(=O)OC2)Cc3ccc(cc3)O)C(C)C	G4B	thalassospiramide c
+C[C@H]1c2cccc(c2C[C@@H](N1C(=O)Cc3c(cccc3Cl)Cl)CO)CCC(C)(C)O	G4C	2-[2,6-bis(chloranyl)phenyl]-1-[(1s,3r)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1h-isoquinolin-2-yl]ethanone
+C1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO	G4D	4-deoxy-alpha-d-glucopyranose
+Cc1cccc(c1C)Nc2[nH]c(nn2)c3ccc(cc3)Oc4ccncc4	G4E	~{n}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{h}-1,2,4-triazol-3-amine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)F)O)O)O)O)N=C(NC2=O)N	G4F	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{s},6~{r})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N	G4G	4,4'-{(3s,4s)-pyrrolidine-3,4-diylbis[(benzylimino)sulfonyl]}dibenzamide
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2C)C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7	G4H	~{n}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide
+Cn1cc(cn1)Nc2nccc(n2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F	G4J	[(1s)-2,2-difluorocyclopropyl][(1r,5s)-3-{2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc6c(n5)C=CNC6=O)c7ccccc7	G4K	borussertib
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)O	G4M	[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s,5s,6r)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+CCC(=O)Nc1cccc(c1)C(=O)NC2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6	G4N	~{n}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide
+CC(C)N	G4O	propan-2-amine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	G4P	guanosine-5',3'-tetraphosphate
+CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6	G4Q	~{n}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O	G4S	4-o-sulfo-beta-d-galactopyranose
+CCC(=O)Nc1cc(ccc1Cl)NC(=O)NC2CCN(CC2)Cc3ccc(cc3)c4c(cc5c(n4)C=CNC5=O)c6ccccc6	G4T	~{n}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{h}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide
+CCCCCCCCCCCCCC=S	G4U	tetradecanethial
+[H]/N=C\N1CC(Oc2c1cc(cc2)c3c4c(c[nH]c4ncn3)CCOC)(F)F	G4V	(z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4h-1,4-benzoxazin-4-yl}methanimine
+c1c(cc(cc1F)F)[C@@H]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N	G4W	6-[4-[(5~{s})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile
+CCCCCCCCCCCCCCCC=S	G4X	hexadecanethial
+[H]/N=C/N[C@H]1CCc2c1cc(cc2)c3c4c(c[nH]c4ncn3)c5ccccc5	G4Y	n-[(1s)-6-(5-phenyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]imidoformamide
+CC(C)([C@H](N(C)CCS)O)Oc1ccc(cc1)Cl	G4Z	(1~{r})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol
+c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O	G50	3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc5c(c4)OCO5)N2)C(F)(F)F	G51	(5r,7s)-n-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC	G52	(3r,3as,3br,6as,7as)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)c5nc(co5)C(=O)OC	G53	methyl 2-{4-[{(2r,3s)-3-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate
+C[C@@]1(CCc2c1cc(cc2)c3c4cc[nH]c4ncn3)NC#N	G54	[(1s)-1-methyl-6-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]cyanamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2CCOCOC2)O)S(=O)(=O)c3ccc(cc3)OC	G55	(5r)-1,3-dioxepan-5-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)COc2ccc(cc2)OC(F)(F)F	G56	(2s)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CC(=O)O)C(C)C)C#N)N	G57	2-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid
+Cn1cc(nc1)S(=O)(=O)[N@@](Cc2ccc(cc2)c3cccc(c3)S(=O)(=O)C)Cc4c(cccc4Cl)F	G58	n-(2-chloro-6-fluorobenzyl)-1-methyl-n-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1h-imidazole-4-sulfonamide
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)F)N2)C	G59	(5r,7r)-5-(4-ethylphenyl)-n-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N	G5A	5'-o-(glycylsulfamoyl)adenosine
+C[C@]12C[C@@H]([C@H](C([C@@H]1CCC(=C)[C@@H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)(C)C)Cl)Cl	G5B	(3~{r})-3-[(1~{s})-2-[(1~{s},4~{a}~{r},6~{s},7~{s},8~{a}~{r})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{h}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione
+CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)N4CCCC4=O)C#N	G5C	2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCNC(=O)c1ccc(cc1)Nc2nccc(n2)N3C[C@@H]4C[C@H]3CN4C(=O)CC#N	G5D	4-({4-[(1s,4s)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-n-ethylbenzamide
+c1ccc(c(c1)N2C(=NNC2=S)c3ccc(cc3O)O)F	G5E	3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{h}-1,2,4-triazole-5-thione
+C[C@](C[C@@H](C(=O)O)N)(CO)O	G5G	(2s,4s)-2-amino-4,5-dihydroxy-4-methylpentanoic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O	G5H	5'-o-(n-(l-aspartyl)-sulfamoyl)uridine
+COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O	G5J	5'-o-[(s)-hydroxy{[(r)-hydroxy{[(s)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
+C=CC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5	G5K	1-[(3s)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one
+CN(Cc1ccccc1)c2ccc3c(c2)OC(=O)C(=C3)C(=O)O	G5L	7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CS)N)O)O)O	G5M	(2s)-2-{[2-(l-cysteinylamino)-2-deoxy-alpha-d-glucopyranosyl]oxy}butanedioic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O	G5N	5'-o-(n-(l-aspartyl)-sulfamoyl)cytidine
+c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3C(=O)O)Cl	G5O	2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N	G5P	p1-(5'-adenosyl)-p5-(5'-guanosyl) pentaphosphate
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O	G5Q	5'-o-(n-(l-aspartyl)-sulfamoyl)n3-methyluridine
+Cc1cncn1CCCNC(=O)N(CC2CCCC2)c3ccc(c(c3)OC)OCCN4CCOCC4	G5R	1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea
+c1cc(cc(c1)O)c2cccc(n2)N3CCOCC3	G5T	3-(6-morpholin-4-ylpyridin-2-yl)phenol
+CC1=C(C(=O)C(=CO1)O)C(=O)O	G5V	5-hydroxy-2-methyl-4-oxo-4h-pyran-3-carboxylic acid
+C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)OC)C(=O)C)N	G5W	(2~{r})-2-azanyl-~{n}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
+c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N)c4ccnc(n4)N	G5X	1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide
+C1=COC(=C(C1=O)O)C(=O)O	G5Y	3-hydroxy-4-oxo-4h-pyran-2-carboxylic acid
+C[C@H](C(=O)Nc1nc(c(s1)c2cccnc2)C(=O)C)N	G5Z	(2~{r})-2-azanyl-~{n}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
+Cc1c(c2cc(ccc2[nH]1)Cl)CCN	G60	2-(5-chloro-2-methyl-1h-indol-3-yl)ethan-1-amine
+CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)c2cc(cc(c2)OC)OC)NC(=O)OC(C)(C)C)O)S(=O)(=O)c3ccc(cc3)OC	G61	tert-butyl [(2s,3r)-1-(3',5'-dimethoxybiphenyl-3-yl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
+c1cc(cc(c1)O)c2cccc(n2)[C@]34CCOC[C@H]3C4	G62	3-[6-[(1~{s},6~{r})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol
+C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)N	G63	 mannose-alpha-1,3-2-aminodeoxymannojirimycin
+Cc1cc(cc(c1)C(=O)N(C)Cc2c(oc(n2)C)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O	G64	n-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-n'-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-n,5-dimethylbenzene-1,3-dicarboxamide
+Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	G65	masitinib
+CC(C)Oc1ccc(cn1)c2c3cc(ccc3[nH]n2)NC(=O)[C@@]4(CCN(C4)CC(=O)N5CCC(=CC5)c6ccc(cc6)c7ncn(n7)C)SC	G67	(3s)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2h)-yl}-2-oxoethyl)-n-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1h-indazol-5-yl)pyrrolidine-3-carboxamide
+c1cc(cc(c1)O)c2cccc(n2)C3CCOCC3	G68	3-[6-(oxan-4-yl)pyridin-2-yl]phenol
+CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cn3cc(c(n3)C(F)(F)F)CO	G69	n-[(2s)-5-{[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-2,3-dihydro-1h-inden-2-yl]propane-2-sulfonami de
+Cc1ccc(cc1c2ccc(cc2C)c3nnc(o3)C)C(=O)NC4CC4	G6A	n-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
+C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)N)C(=O)C)N	G6B	(2~{r})-~{n}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide
+C1=CC(=O)NC=C1O	G6C	5-oxidanyl-1h-pyridin-2-one
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	G6D	alpha-d-quinovopyranose
+C[C@H](C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C)N	G6E	(2~{r})-2-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N	G6F	3-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid
+Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5ccc(cc5)CN6CCN(CC6)C	G6G	n-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4cc(c(c(c4)OC)OC)OC)NC(=O)c5cccc(c5)C(F)(F)F	G6H	n-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide
+Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5cccc(c5)C(F)(F)F	G6I	n-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide
+CCCN1c2cnc(nc2N([C@@H](C1=O)C)CCC)Nc3cc(c(c(c3)F)O)F	G6J	(7r)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5h)-one
+CCC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5	G6K	1-[(3s)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one
+CCCN[C@H]1CCc2c(sc(n2)N)C1	G6L	(6s)-n6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
+c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)CCl)F)N3CCOCC3	G6M	2-chloro-n-({(5s)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
+CCCN1CCO[C@H]2[C@H]1COc3c2cc(cc3)O	G6O	(4ar,10br)-4-propyl-3,4a,5,10b-tetrahydro-2h-chromeno[4,3-b][1,4]oxazin-9-ol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O	G6P	6-o-phosphono-alpha-d-glucopyranose
+C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O	G6Q	glucose-6-phosphate
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)C[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	G6R	n-[(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3s,3ar,5s,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)O	G6S	6-o-sulfo-beta-d-galactopyranose
+c1cc(cc(c1)S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N	G6T	3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]benzenesulfonamide
+CC(C)CCNC/C=C/S(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	G6U	~{n}-[(~{e})-3-[3,5-bis(trifluoromethyl)phenyl]sulfinylprop-2-enyl]-3-methyl-butan-1-amine
+c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)C(Cl)Cl)F)N3CCOCC3	G6V	2,2-dichloro-n-({(5s)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
+CC(=O)c1c(sc(n1)NC(=O)C(C)(C)N)c2cc(cnc2)N	G6W	2-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide
+COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N@@](C2)CCCCCCN5C(=O)c6ccccc6S5(=O)=O)C=C[C@@H](C4)O	G6X	2-{6-[(4as,6r,8as)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12h)-yl]hexyl}-1 ,2-benzisothiazol-3(2h)-one 1,1-dioxide
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccc(cc3)C(=O)O	G6Y	3'-[(2r)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid
+CC(=O)c1c(sc(n1)NC(=O)C2(CCC2)N)c3cc(cnc3)N	G6Z	1-azanyl-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
+CC[C@H](C)[C@@H](C(=O)N[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](CC2CCCCC2)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@H]3CCCCN3C	G70	(2~{s},4~{s})-4-[[2-[(1~{r},3~{r})-1-acetyloxy-4-methyl-3-[[(2~{s},3~{s})-3-methyl-2-[[(2~{r})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid
+c1cc(sc1CCCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	G71	n-({5-[4-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-l-glutamic acid
+C[C@]12CCC/C(=C\C=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O	G72	(1r,3r,7e,17beta)-17-[(1s)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol
+Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc(cc4)OC)[nH]cn3)C)/C=C/C#N	G73	(2e)-3-[4-({6-[(4-methoxyphenyl)amino]-7h-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C	G74	ethyl (4r)-4-[(tert-butoxycarbonyl)amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	G75	ethyl (4r)-4-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+CCCCCCCn1cc[n+](c1)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	G76	[2-(1-heptyl-1h-imidazol-3-ium-3-yl)ethane-1,1-diyl]bis(phosphonate)
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@@H]2C[C@H]3C[C@H]4[C@@H]2CO[C@H]4O3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	G77	(1s,3ar,4r,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2s,3r)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCC[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC	G79	(3ar,3br,4s,7ar,8as)-decahydrofuro[2,3-b][1]benzofuran-4-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)O)N2)C(F)(F)F	G7A	(5r,7s)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
+CC(=O)c1csc(n1)NC(=O)C(C)(C)N	G7B	2-azanyl-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide
+c1cc(c(cc1NCc2cnc3c(n2)C(=O)NC(=N3)N)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	G7D	n-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-l-glutamic acid
+CC(=O)c1c(sc(n1)NC(=O)C2CNCCN2)c3ccc(cc3)C(=O)N4CCOCC4	G7E	~{n}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide
+c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O	G7G	genistein-7-o-glucuronide
+CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3ccc(cc3)N4CCCC4=O	G7H	(2~{r})-~{n}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide
+C1C=C2C=C(C(=O)C=C2N1)O	G7J	5-hydroxy-1,2-dihydro-6h-indol-6-one
+COc1ccc2c(n1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)C(c5ccc(cc5)F)(F)F	G7K	trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	G7M	n7-methyl-guanosine-5'-monophosphate
+[H]/N=C(/N)\N[C@H](C)C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C	G7N	(2~{r})-~{n}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
+C(CP(=O)(O)O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	G7P	6,7-dideoxy-7-phosphono-beta-d-gluco-heptopyranose
+CC(=O)c1csc(n1)NC(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F	G7Q	(2~{r})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{n}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
+Cc1cc(ccc1c2c3c(ncnc3n(n2)C(C)C)N)NC(=O)CCC(=O)c4ccc(c(c4)C(F)(F)F)F	G7T	~{n}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3cc[nH]n3)Nc4ccc(cc4)C#N	G7V	4-{[(2s,4r)-1-acetyl-2-methyl-6-(1h-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile
+CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)/C=C/C(=O)c4ccc(c(c4)C(F)(F)F)F)c(ncn2)N	G7W	(~{e})-~{n}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide
+Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C	G7X	ispinesib mesilate
+CNC(=O)CCN1C(=O)CCC1=O	G7Z	3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{n}-methyl-propanamide
+C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4CCNCC4)C	G80	(3as,4r,5s,6s,8r,9r,9ar,10r)-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl (piperidin-4-ylthio)acetate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C	G81	ethyl (4r)-4-{[n-(tert-butoxycarbonyl)-l-phenylalanyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3	G82	ethyl (5s,8s,11r)-8-benzyl-5-(3-tert-butoxy-3-oxopropyl)-3,6,9-trioxo-11-{[(3s)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3	G83	ethyl (5s,8s,11r)-8-benzyl-5-(2-tert-butoxy-2-oxoethyl)-3,6,9-trioxo-11-{[(3s)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCC3c4ccccc4-c5c3cccc5	G84	o-tert-butyl-n-[(9h-fluoren-9-ylmethoxy)carbonyl]-l-threonyl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](COC(C)(C)C)NC(=O)OCc3ccccc3	G85	n-[(benzyloxy)carbonyl]-o-tert-butyl-l-seryl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OC(C)(C)C	G86	n-(tert-butoxycarbonyl)-o-tert-butyl-l-threonyl-n-{(2r)-5-ethoxy-5-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]pentan-2-yl}-l-phenylalaninamide
+Cc1ccc(c(c1Cl)NS(=O)(=O)c2nc3nc(cc(n3n2)OC)OC)Cl	G87	metosulam
+C(CC(=O)O)[C@H](CP(=O)(O)O)C(=O)O	G88	(2s)-2-(phosphonomethyl)pentanedioic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@@H]3O)O)S(=O)(=O)c4ccc(cc4)OC	G89	(3r,3ar,5r,6ar)-3-hydroxyhexahydro-2h-cyclopenta[b]furan-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)I)OC	G8A	ethyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4ccccc4OC)N	G8B	3-azanyl-~{n}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC	G8C	1,2-dioctanoyl-sn-glycero-3-phosphoethanolamine
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)OP(=O)(O)O	G8D	[(2r,3s,4r,5r)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
+c1cc(cnc1)NC(=O)c2c(ncc(n2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)N	G8E	3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{n}-pyridin-3-yl-pyrazine-2-carboxamide
+COc1cccc(c1)S(=O)(=O)N	G8F	3-methoxybenzenesulfonamide
+Cc1ncc(c(n1)N)CN(C=O)/C(=C(/CCOP(=O)(O)OP(=O)(O)O)\S)/C	G8G	(3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate
+c1ccc2cc(ccc2c1)CC(=O)Nc3ccccn3	G8H	2-naphthalen-2-yl-~{n}-pyridin-2-yl-ethanamide
+CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(ccc2OC)c3ccncc3	G8J	6-ethyl-5-{(3s)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
+COc1cc(cc(c1OC)OC)C(=O)c2c[nH]c(n2)c3cccc4c3cc[nH]4	G8K	[2-(1h-indol-4-yl)-1h-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
+c1cc2cccnc2c(c1)S(=O)(=O)N	G8L	quinoline-8-sulfonamide
+C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O	G8M	(1s,2r)-2-[(s)-amino(carboxy)methyl]cyclobutanecarboxylic acid
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCOC)N	G8N	3-azanyl-~{n}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
+COc1cc(c(cc1c2cccs2)C(=O)O)OC	G8O	2,4-dimethoxy-5-thiophen-2-yl-benzoic acid
+CC(C)(C)O[C@H](N(C)[C@@H](c1ccccc1)[C@H](NCCS)O)O	G8Q	(1~{r},2~{s})-2-[methyl-[(~{r})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2C[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4O3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	G8R	(1r,3as,4s,6s,7ar)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2s,3r)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N(C)c5ccc(cc5)Cl	G8S	4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium
+CC(c1ccccc1)(c2ccccc2)[C@@H](NCCS)O	G8T	(1~{s})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol
+Cc1c(c(c(c(n1)CO)c2ccc(cc2)Oc3cccc(c3)OC(F)(F)F)O)Cl	G8U	3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol
+CN(C)c1cc[n+](cc1)Cc2ccccc2	G8V	1-benzyl-4-(dimethylamino)pyridinium
+c1cc(ncc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F	G8W	(2~{s})-2-[[(2~{s})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+C1CN[C@@H]([C@@H]1O)C(=O)O	G8X	(2~{s},3~{r})-3-oxidanylpyrrolidine-2-carboxylic acid
+c1cc(ccc1[C@@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF	G8Y	(8r)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2h-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol
+CO[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1O)O)OCC=C)CO	G8Z	prop-2-en-1-yl 4-o-methyl-alpha-d-mannopyranoside
+CC(C)(Cc1c[nH]c2c1cccc2)NC[C@@H](COc3ccccc3C#N)O	G90	2-[(2s)-3-[[1-(1h-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile
+c1cc(ccc1[C@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF	G91	(8s)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2h-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol
+COc1cc2c(cc1OC)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4)OC(F)(F)F	G92	[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone
+CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@H]4CCCNC4	G93	4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3s)-piperidin-3-ylmethoxy]-1h-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3 -yn-2-ol
+c1cc(sc1CCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	G94	n-({5-[3-(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-l-glutamic acid
+c1ccc(cc1)[C@@H](CN)NC(=O)c2ccc(s2)c3ccnc4c3cc[nH]4	G95	n-[(1s)-2-amino-1-phenylethyl]-5-(1h-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
+CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@@H](Cc4ccccc4)N	G96	4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2r)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1h-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
+C=CC(=O)Nc1ccc2c(c1)nc(nc2Nc3cc[nH]n3)c4ccccc4	G97	n-[2-phenyl-4-(1h-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide
+CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)O[C@@H](CCN)c4ccccc4	G98	4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1s)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1h-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
+C(/C=C/C(=O)O)C(=O)O	G9A	(2e)-pent-2-enedioic acid
+CCC(=O)Nc1cccc(c1)n2c3ccccc3nc2c4c(ncc(n4)c5cnn(c5)C6CCN(CC6)C)N	G9B	n-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1h-pyrazol-4-yl]pyrazin-2-yl}-1h-benzimidazol-1-yl)phenyl]propanamide
+C[C@@H](c1ccccn1)NC(=O)c2cc3cccc(c3nc2)c4ccc(cc4)C(F)(F)F	G9C	n-[(1s)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
+c1cc2c3c(c1)[nH]cc3C(=NNC2=O)CN4CCOCC4	G9D	3-(morpholin-4-ylmethyl)-1,5-dihydro-6h-[1,2]diazepino[4,5,6-cd]indol-6-one
+COc1ccc2c(c1)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4N)OC(F)(F)F	G9E	[2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone
+CN(C)CCCOc1ccc(cc1)c2nc3cccc4c3n2CCNC4=O	G9F	2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one
+CN1CCN(CC1)c2ccc3c(n2)-c4ccccc4C(=O)N3	G9G	2-(4-methylpiperazin-1-yl)benzo[c][1,5]naphthyridin-6(5h)-one
+CN(C)Cc1nc2cccc3c2n1CCNC3=O	G9H	2-[(dimethylamino)methyl]-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one
+c1cc2c3c(c1)nc(n3CCNC2=O)CCc4ccc(cc4)CN5CCCC5	G9I	2-{2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4h)-one
+CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O	G9J	(2s)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2h-1-benzopyran-6-ol
+COc1cc(cc2c1OC=CO2)C(=O)c3c[nH]c(n3)c4c[nH]c5c4cccc5	G9K	[2-(1h-indol-3-yl)-1h-imidazol-4-yl](8-methoxy-1,4-benzodioxin-6-yl)methanone
+c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)C(=O)CCN4CCCCC4	G9L	8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2h)-one
+c1ccc2c(c1)-c3c(ccc(n3)NC(=O)CN4CCC(CC4)N5CCCC5)NC2=O	G9M	n-(6-oxo-5,6-dihydrobenzo[c][1,5]naphthyridin-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
+COc1ccc(cc1Cl)N([C@H](c2cccs2)C(=O)NCCc3ccccc3)C(=O)CCl	G9N	(2~{s})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{n}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide
+CCCCCCCCCCCCCC(=O)NO	G9O	n-oxidanyltetradecanamide
+c1cc2c3c(c1)Oc4ccc(cc4[C@H]3CNC2=O)S(=O)(=O)O	G9P	(11br)-3-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid
+CC(C)N1CCC(c2c1ccc(c2)C#Cc3ccc(cc3)C(=O)O)(C)C	G9Q	4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid
+CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=O)C	G9R	chlorophyll d isomer
+CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	G9S	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
+c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Br	G9U	(6r)-6-[(6-bromanyl-1h-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
+Cn1cnc2c1cc(cc2C3=CN(C(=O)c4c3cc[nH]4)CCC=C)C(=O)N5CCOCC5	G9V	6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1h-benzimidazol-4-yl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+Cc1cccc2c1C3=C(C[C@@H](OC3)C(C)C)NC2=O	G9W	(3r)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6h-pyrano[4,3-c]isoquinolin-6-one
+c1ccc2c(c1)CCC[C@@H](C2=O)Cc3c[nH]c4c3ccc(c4)Cl	G9X	(6r)-6-[(6-chloranyl-1h-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
+C=CCCN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N4CCOCC4	G9Y	6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7h-pyrrolo[2,3-c]pyridin-7-one
+C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	G9Z	agropinic acid
+[Ga+3]	GA	gallium (iii) ion
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc2ccc3ccccc3c2)NC(=O)CN	GA0	glycylalanyl-n-2-naphthyl-l-prolineamide
+c1nc2c(n1COC(CO)CO)N=C(NC2=O)N	GA2	9-(1,3-dihydroxy-propoxymethane)guanine
+C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O	GA3	gibberellin a3
+C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O	GA4	gibberellin a4
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@@H](CC[C@@H]3O)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC	GA5	tert-butyl [(1r,4s)-4-hydroxy-7-{[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
+CS(=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O	GA6	3-[4-(methylsulfonylamino)phenyl]benzoic acid
+C[C@H](C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	GA7	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r)-1-{(2s,3s,4r,5s,6r)-6-[(1s)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl}propan-2-yl hydrogen (r)-phosphate (non-preferred name)
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@H](CCS3)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC	GA8	tert-butyl [(4s)-6-{[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamoyl}-3,4-dihydro-2h-1-benzothiopyran-4-yl]carbamate
+c1cc2c(ccc3c2c(c1)C(OC3=O)(c4ccc(c(c4)Br)O)c5ccc(c(c5)Br)O)Cl	GA9	3,3-bis(3-bromo-4-hydroxyphenyl)-7-chloro-1h,3h-benzo[de]isochromen-1-one
+c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]	GAA	3-nitrophenyl alpha-d-galactopyranoside
+c1cc(cc(c1)N)C(=O)O	GAB	3-aminobenzoic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO	GAC	dihydro-acarbose
+C1[C@@H]([C@H](C=C(O1)C(=O)O)O)O	GAD	2,6-anhydro-3-deoxy-l-threo-hex-2-enonic acid
+[C@H]([C@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O	GAE	d-galactaric acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O	GAF	2-deoxy-2-fluoro-alpha-d-galactopyranose
+c1c(c(no1)O)C(=O)O	GAG	3-hydroxyisoxazole-4-carboxylic acid
+[H]/N=C(\N)/NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)[C@@H]2CCN2C(=O)[C@@H](CC3CCCCC3)NC(=O)C4CCC(CC4)CN/C(=N/[H])/N	GAH	n-{[(2s)-1-(n-{[4-({[amino(imino)methyl]amino}methyl)cyclohexyl]carbonyl}-3-cyclohexyl-l-alanyl)azetidin-2-yl]carbonyl}-l-tyrosyl-n~6~-[amino(imino)methyl]-l-lysinamide
+C(=N)(N)N	GAI	guanidine
+c1ccc2c(c1)C(=O)c3cc(ccc3O2)S(=O)(=O)N=C4NN=NN4	GAJ	n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide
+S1[Ga]S[Ga]1	GAK	[2ga-2s] cluster
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	GAL	beta-d-galactopyranose
+C[C@](CCC(=O)O)(C(=O)O)N	GAM	alpha-methyl-l-glutamic acid
+CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@H](C)[N@@]1CCC(=C[C@H](C1)Cc2ccccc2)[C@H](C)NC(=O)[C@H](C)N	GAN	2-[3-benzyl-5-(1-alanyl-aminoethyl)-2,3,6,7-tetrahydro-1h-azepin-1-yl]-1-oxopropyl-valinyl-valine-methylester
+c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	GAO	guanine arabinose-5'-phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)([O-])OC(=O)C[NH3+])O)O)N	GAP	glycyl-adenosine-5'-phosphate
+C(CCO)CC=O	GAQ	5-hydroxypentanal
+C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-]	GAR	glycinamide ribonucleotide
+c1ccc(cc1)C(c2ccccc2)NC(=NCC(=O)O)Nc3ccc(cc3)C#N	GAS	n-(p-cyanophenyl)-n'-diphenylmethyl-guanidine-acetic acid
+c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	GAT	4-aminophenyl alpha-d-galactopyranoside
+C(CC(=O)O)[C@@H](CO)N	GAU	(4s)-4-amino-5-hydroxypentanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O[P@@](=O)(O)OP(=O)(O)O)S)O)O)N=C(NC2=O)N	GAV	guanosine-5'-rp-alpha-thio-triphosphate
+Cc1ccccc1c2cc(ncc2N(C)C(=O)C(C)(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C	GAW	2-[3,5-bis(trifluoromethyl)phenyl]-~{n},2-dimethyl-~{n}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide
+c1ccnc(c1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4	GAX	1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea
+COc1ccc(cc1OC)C(=O)/C=S/C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GAZ	l-gamma-glutamyl-3-{(e)-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-lambda~4~-sulfanyl}-l-alanylglycine
+CP(=O)(O)O	GB	methylphosphonic acid ester group
+CCc1c(c2n3c1C=C4C(=C5C(=O)[C@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C	GB0	bacteriochlorophyll g'
+c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O	GB1	(2r,3r,4s)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
+c1ccc(cc1)[C@@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O	GB2	(2r,3r,4s)-2-({[(1s)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
+C[C@@H]1[C@@H]([C@@H]([C@H](N1)CN[C@@H](CO)c2ccccc2)O)O	GB3	(2r,3r,4s,5r)-2-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol
+c1cc(c(cc1Cl)Cl)\C=C\C(=O)NO	GB4	(2e)-3-(2,4-dichlorophenyl)-n-hydroxyacrylamide
+c1cc(ccc1\C=C\C(=O)NO)Cl	GB5	(2e)-3-(4-chlorophenyl)-n-hydroxyacrylamide
+c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](C(=O)N2)O)O	GB6	(3r,4r,5r)-3,4-dihydroxy-5-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-2-one
+CN1[C@@H]([C@H]([C@H](C1=O)O)O)CN[C@@H](CO)c2ccccc2	GB7	(3r,4r,5r)-3,4-dihydroxy-5-({[(1r)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one
+c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N	GB8	(2r,3r,4s,5r)-2-(6-amino-8-((quinolin-7-ylmethyl)amino)-9h-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
+c1cc(ccc1C(=O)Nc2ccc(nc2)Cl)F	GB9	n-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	GBA	8-bromoadenosine
+C1CC(C=C(C1)C(=O)O)N	GBC	gabaculine
+c1(c(nsn1)O)C(=O)O	GBD	4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid
+C1CN(CCN1CCCS(=O)(=O)O)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	GBE	3-{4-[2-(beta-d-glucopyranosyloxy)ethyl]piperazin-1-yl}propane-1-sulfonic acid
+CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C	GBF	bacteriochlorophyll g
+[H]/N=C(\CCl)/NCCCC[C@@H](C(=O)O)N	GBG	n~6~-[(1e)-2-chloroethanimidoyl]-l-lysine
+C1CN(CCN1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCS(=O)(=O)O	GBH	2-{4-[2-(beta-d-glucopyranosyloxy)ethyl]piperazin-1-yl}ethanesulfonic acid
+c1cc(cc(c1)I)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GBI	s-(3-iodobenzyl)glutathione
+CC1(C=Cc2c(ccc3c2OC[C@H](C3)c4ccc(cc4O)O)O1)C	GBJ	4-[(3r)-8,8-dimethyl-3,4-dihydro-2h,8h-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
+COc1ccccc1CN[C@H]2CCCN[C@H]2c3ccccc3	GBK	(2~{s},3~{s})-~{n}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine
+C1CC(=O)OC1	GBL	gamma-butyrolactone
+COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl	GBM	5-chloro-n-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide
+C1CCC(CC1)(CC(=O)O)CN	GBN	[1-(aminomethyl)cyclohexyl]acetic acid
+C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CC\C=C(/C)\CNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2	GBO	(2e,6e)-3,7-dimethyl-8-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate
+c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)Br	GBP	s-(n-hydroxy-n-bromophenylcarbamoyl)glutathione
+C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F	GBQ	5-[[(2~{r},3~{s})-2-[(1~{r})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)([C@@H](P(=O)(O)O)Br)O)O)N=C(NC2=O)N	GBR	5'-o-[(r)-{[(s)-[(r)-bromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
+[H]/N=C(\N)/Nc1ccc(cc1)C(=O)O	GBS	4-carbamimidamidobenzoic acid
+Cc1c2c(cc(n1)N)OCC/C=C/CCCOc3cc(ccc3Cn4cc(cn4)C(=O)NC2)Cn5cccn5	GBT	(8e)-3-amino-1-methyl-15-[(1h-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6h,18h,23h-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one
+Cc1cccc(c1)[C@@H]2CN(CCc3c2cc(c(c3Cl)O)O)C	GBU	(1s)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
+c1cc(ccc1CC2=SC(=O)NC2=O)OCCNC(=O)CCCCC3CCSS3	GBV	n-(2-{4-[(2,4-dioxo-3,4-dihydro-2h-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3r)-1,2-dithiolan-3-yl]pentanamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCN4CCN(CC4)Cc5c(cc(cc5OC)C6=CN(C(=O)c7c6ccnc7)C)OC)O	GBW	(2~{s},4~{s})-1-[(2~{s})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{n}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H](C(=O)C4=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GBX	2-amino-4-[1-(carboxymethyl-carbamoyl)-2-(9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydro-benzo[def]chrysen-10-ylsulfanyl)-ethylcarbamoyl]-butyric acid
+c1ccc(cc1)N(CCNC(=O)c2ccc(nc2)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	GBZ	(2~{s})-2-[[(2~{s})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
+C1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O	GC1	2,6-anhydro-l-gulonic acid
+CC(=O)N[C@H]1C[N@@]2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O	GC2	6-acetamido-6-deoxy-castanospermine
+C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OC(=N2)CO)O)O)O	GC3	(3ar,5r,6s,7r,7ar)-2,5-bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]oxazole-6,7-diol
+C1[C@@H]([C@H]([C@@H](OC1C(=O)O)O)O)O	GC4	4-deoxy-beta-d-glucopyranuronic acid
+c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C(=O)N4CCC[C@H](C4)N)c5ccnc(n5)N	GC6	[(3r)-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone
+C(CCCN)CCCNC(N)N	GC7	1-guanidinium-7-aminoheptane
+c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)Cl	GC8	2-(2,4-dichlorophenoxy)-n-[4-(1-piperidinylmethyl)phenyl]acetamide
+C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@H]([C@@H](CO)O)O)C(=O)O	GC9	2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-l-altro-non-2-enonic acid
+CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2cc(cc(c2)C)C	GCA	6-(3',5'-dimethylbenzyl)-1-ethoxymethyl-5-isopropyluracil
+[C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O	GCB	(2s,3s,4s,5r)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid
+C[C@H]1CN(CCN1)C(=O)c2cn(c3c2ccc(c3)C#CC4(CCCCC4)O)c5ccnc(n5)N	GCC	[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3s)-3-methylpiperazin-1-yl]methanone
+C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)O	GCD	4-deoxy-alpha-l-threo-hex-4-enopyranuronic acid
+CN(C(=O)N1[C@](SC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3)OC	GCE	(2~{s})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{n}-methoxy-~{n}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N	GCF	3-[3-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid
+C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N	GCG	bis(gamma-glutamyl-cysteinyl-glycinyl)spermidine
+C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	GCH	glycocholic acid
+c1cc2c(c(c1)OCCNC(=[NH2+])N)NC3=NC(=O)N(C=C3O2)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	GCK	phosphoric acid 9-(2-guanidinoethoxy-3-(2-deoxy-beta-d-erythropentofuranosyl))-3h-pyrimido-[5,4-b][1,4]-benzooxazin-2-one]-5'-ester
+CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O	GCL	1-cyclohexyl-2-amino-3,4-dihydroxy-6-methylheptane
+CC(=O)CN	GCM	glycylmethylene group
+C1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N	GCN	2-amino-2,3-dideoxy-alpha-d-glucoyranose
+C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O	GCO	d-gluconic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N	GCP	phosphomethylphosphonic acid guanylate ester
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O)(F)F	GCQ	gemcitabine diphosphate
+CC1=O[Ga]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C	GCR	gallichrome
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O	GCS	2-amino-2-deoxy-beta-d-glucopyranose
+C1[C@@H]([C@H](CO[C@@H]1C(=O)O)O)O	GCT	2,6-anhydro-3-deoxy-l-xylo-hexonic acid
+[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O	GCU	alpha-d-glucopyranuronic acid
+CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O)O)O	GCV	4-o-methyl-alpha-d-glucopyranuronic acid
+CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O)O)O	GCW	4-o-methyl-beta-d-glucopyranuronic acid
+CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](C=CCCCCCCCCCCCCC)O	GCY	n-[(2s,3r)-1-(beta-d-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
+Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2	GCZ	n-[(3ar,6as)-hexahydrocyclopenta[c]pyrrol-2(1h)-ylcarbamoyl]-4-methylbenzenesulfonamide
+[Gd]	GD	gadolinium atom
+CCOCc1nc(c(n1CC(C)(C)O)c2ccccc2)I	GD0	1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol
+[H]/N=C\c1c[nH]c2c1C(=O)NC(=N2)N	GD1	2-amino-5-[(z)-iminomethyl]-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+[Gd+3]	GD3	gadolinium ion
+Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@H]4C(=O)NC(=O)S4)C	GD4	(5s)-5-[(4-{[(2r)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
+Cc1c(cnn1C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4cccc5)Cl	GD5	5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-n-(5-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine
+C[C@H](C(C)(C)C)O[P@@H](=O)C	GD7	(1r)-1,2,2-trimethylpropyl (r)-methylphosphinate
+C[C@H](C(C)(C)C)O[P@H](=O)C	GD8	(1r)-1,2,2-trimethylpropyl (s)-methylphosphinate
+CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6	GD9	2-(1h-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N)O	GDA	4-amino-4-deoxy-beta-d-glucopyranose
+c1cc(c(cc1N(=O)=O)N(=O)=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GDB	1-(s-glutathionyl)-2,4-dinitrobenzene
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N	GDC	guanosine-5'-diphosphate-beta-l-galactose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N	GDD	guanosine-5'-diphosphate-alpha-d-mannose
+c1c(cc(c(c1O)O)O)C(=O)O	GDE	3,4,5-trihydroxybenzoic acid
+CCC1=C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)C[N@](C2)C1)(c5cc6c(cc5OC)N([C@H]7[C@]68CC[N@@]9C8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC	GDF	vinorelbine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)NC(=NC2=O)N	GDG	gdp-alpha-d-glucose
+Cc1ccnc(c1)COc2cccc(c2c3ccc4c(c3)CCNCC4)OC	GDH	7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1~{h}-3-benzazepine
+[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C@@H]3CCCCN3	GDI	(2s)-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]piperidine-2-carboxamide
+Cc1ccc(cc1)c2c(cccn2)OCc3ccccn3	GDK	2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O	GDL	2-(acetylamido)-2-deoxy-d-glucono-1,5-lactone
+C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)\C)OC)OC(=O)N)/C)C)O)OC	GDM	geldanamycin
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GDN	glutathione s-(2,4 dinitrobenzene)
+c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	GDO	3'-deoxy-guanosine 5'-monophosphate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N	GDP	guanosine-5'-diphosphate
+C1[C@@H]([C@H]([C@@H]([C@@H]2[C@H]1N2)O)O)CO	GDQ	(1~{s},2~{r},3~{r},4~{r},6~{s})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O	GDR	guanosine-5'-diphosphate-rhamnose
+C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GDS	oxidized glutathione disulfide
+CCCCCCC\C=C\C=C\C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)C=C[C@@H](NC1=O)C)O	GDT	(2e,4e)-n-[(2s,3r)-3-hydroxy-1-[[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O	GDU	galactose-uridine-5'-diphosphate
+CC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)C(=O)Nc3ccccc3	GDV	(5r,6r,7r,8s)-8-(acetylamino)-6,7-dihydroxy-5-(hydroxymethyl)-n-phenyl-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2-carboxamide
+CCN(CC)CCn1c2c(c3c1-c4ccccc4C3=O)C(=O)CCC2	GDW	5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{h}-indeno[1,2-b]indole-9,10-dione
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N	GDX	guanosine 5'-(trihydrogen diphosphate), p'-d-mannopyranosyl ester
+c1cc(sc1)CCOc2ccc(cc2)C=C3C(=O)NC(=O)S3	GDY	(5z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
+Cc1cn2cc(cc(c2n1)F)C3=CC(=O)N4C=C(C=CC4=N3)N5CCN(CC5)C	GDZ	2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
+CCCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	GE0	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate
+C1C[C@H]([C@H](O[C@@H]1CN)O)N	GE1	2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranose
+C1[C@H](CC(C[C@H]1N)O)N	GE2	3,5-diamino-cyclohexanol
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O)O	GE3	3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranose
+COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)/N=N/c4ccccc4)c5ccc(cc5)F)OC	GE5	3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-[(~{e})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
+C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)N)F	GE6	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+Cc1ccc(cc1)c2c3ccccc3nc(c2[C@@H](C(=O)O)OC(C)(C)C)C	GE7	(2s)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid
+CC(C)(C(=O)NCCCS)Oc1ccc(cc1)Cl	GE8	2-(4-chloranylphenoxy)-2-methyl-~{n}-(3-sulfanylpropyl)propanamide
+C1CN(CCN1CCC=O)CCC=O	GEB	3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal
+COc1cc(ccc1O)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)c4ccc(c(c4)OC)O	GEC	4-[(3s,3ar,6s,6ar)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol
+CCOC(=O)CN	GEE	ethyl glycinate
+COc1cc(ccc1O)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)c4ccc(c(c4)OC)O	GEF	4-[(3r,3as,6r,6as)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol
+C\C=C(/CCC(=O)O)\N	GEG	(4e)-4-aminohex-4-enoic acid
+CC(C)(C(=O)NCCS)Oc1ccc(cc1)Cl	GEH	2-(4-chloranylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+Cc1c(c(c(c(n1)C)[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)c3ccc(cc3)OCCc4ccc(cc4)F	GEI	(2s)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[S@+](CC[C@@H](C(=O)[O-])[NH3+])CC(=O)[O-])O)O)N	GEK	(2s)-4-[{[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate
+CCCCCCCCOCC(CO[P@](=O)(O)OCCN)O[P@](=O)(CCCCCCC)O	GEL	1-o-octyl-2-heptylphosphonyl-sn-glycero-3-phosphoethanolamine
+C(CS[C@@H](CC(=O)O)C(=O)O)NC(=N)N	GEM	(2-guanidinoethylmercapto)succinic acid
+c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O	GEN	genistein
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F	GEO	gemcitabine
+C[N+]1(CCCCC1)CCc2ccc(cc2)NC(=O)CCCC(=O)O	GEP	n-methyl-n-(para-glutaramidophenyl-ethyl)-piperidinium ion
+c1ccc2c(c1)-c3ccccc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6	GEQ	5-{[4-(9h-fluoren-9-yl)piperazin-1-yl]carbonyl}-1h-indole
+C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	GER	geran-8-yl geran
+CC(C)C[C@@H](C(=O)N(C)N(C)C#N)NC(=O)c1cc(nn1C)C(C)(C)C	GES	3-tert-butyl-n-[(2s)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1h-pyrazole-5-carboxamide (non-preferred name)
+C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O	GET	geneticin
+Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3cccc(c3)Cl)C(=O)C4=C(NN(C4=O)C)C	GEU	3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{h}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione
+Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4	GEV	(5z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
+Cn1c(c(nc1/N=N/c2ccc(cc2)F)c3ccc(cc3)F)c4ccnc(c4)NC(=O)CCc5cc(ccc5OC)OC	GEW	3-(2,5-dimethoxyphenyl)-~{n}-[4-[5-(4-fluorophenyl)-2-[(~{e})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide
+CSc1ccccc1N2CCNCC2	GEX	1-(2-methylsulfanylphenyl)piperazine
+CCCCCCCCC/C=C\C(=O)O	GEY	(2z)-dodec-2-enoic acid
+Cc1c(n[nH]c1Nc2ccnc3c2cc(c(c3)OC)S(=O)(=O)C(C)(C)C)C	GEZ	6-~{tert}-butylsulfonyl-~{n}-(3,4-dimethyl-1~{h}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N=C(NC2=O)N	GF0	2'-deoxy-2'-fluoroguanosine
+C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O	GF1	(2s)-2-[(3ar,4r,7s,7as)-1,3-dioxooctahydro-2h-4,7-methanoisoindol-2-yl]propanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=C(NC2=O)N	GF2	2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)COC23CCNCC3	GF3	spiro[1h-2-benzofuran-3,4'-piperidine]
+CCC1=C(NN(C1=O)c2[nH]nnn2)C	GF4	4-ethyl-5-methyl-2-(1h-tetrazol-5-yl)-1,2-dihydro-3h-pyrazol-3-one
+C(CC(=O)N[C@@H](CSCCS(=O)(=O)F)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GF5	(2s)-2-azanyl-5-[[(2r)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+c1cc(cc(c1)NC(=O)N)C(F)(F)F	GF6	1-[3-(trifluoromethyl)phenyl]urea
+CC(=O)c1ccc(cc1)N2C[C@H](CC2=O)C(=O)O	GF7	(3s)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
+c1cc(c(cc1CC(=O)NCCS)Cl)Cl	GF8	2-(3,4-dichlorophenyl)-~{n}-(2-sulfanylethyl)ethanamide
+CCCC1=Nc2nc(nn2C(=O)C1)CNc3ccc(cc3)Cl	GF9	2-[[(4-chlorophenyl)amino]methyl]-5-propyl-6h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
+c1ccc(cc1)C(=O)c2cc(ccc2OCC(=O)Nc3ccccc3)Cl	GFA	2-[4-chloro-2-(phenylcarbonyl)phenoxy]-n-phenylacetamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O	GFB	guanosine-5'-diphosphate-beta-l-fucopyranose
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)([C@](F)(P(=O)(O)O)Cl)O)O)N=C(NC2=O)N	GFC	5'-o-[(s)-{[(s)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
+CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C	GFE	1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(C(F)(F)P(=O)(O)O)O)O)N=C(NC2=O)N	GFF	2'-deoxy-5'-o-[({[difluoro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]guanosine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)([C@H](F)P(=O)(O)O)O)O)N=C(NC2=O)N	GFH	2'-deoxy-5'-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+Cc1nc2c(cc(cc2n1c3ccnc4c3c(ccc4F)F)c5ccnc(c5F)N)c6[nH]cnn6	GFJ	4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4h-1,2,4-triazol-3-yl)-1h-benzimidazol-6-yl]-3-fluoropyridin-2-amine
+COc1ccc2c(c1)sc(n2)c3nc(on3)C4CCN(CC4)C(=O)CCC(F)(F)F	GFK	4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
+c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=C(NC2=O)N	GFL	2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one
+C[C@](F)([P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O	GFM	2'-deoxy-5'-o-[(s)-{[(s)-[(1r)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+C[C@H]1CN(CCN1)c2c(cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC4)F	GFN	1-cyclopropyl-6-fluoro-8-methoxy-7-[(3s)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+CC(C)(C)c1ccc(cc1)c2nc3n(n2)C(=O)CC(=N3)CNc4ccc5ccccc5n4	GFO	2-(4-tert-butylphenyl)-5-[(quinolin-2-ylamino)methyl]-6h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)F)O)O)O	GFP	2-deoxy-2-fluoro-1-o-phosphono-alpha-d-glucopyranose
+CC(C)CCCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	GFQ	4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+COc1cc(ccc1O)C[C@@H]2CO[C@H]([C@@H]2CO)c3ccc(c(c3)OC)O	GFR	4-[[(3s,4s,5r)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol
+C[P@](=O)(OC[C@@H](C(=O)O)N)OC1CCCCC1	GFT	(2s)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid
+COc1cc(ccc1O)C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(c(c3)OC)O	GFU	4-[[(3r,4r,5s)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol
+C[C@@H](c1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3)O	GFV	hydroxy pioglitazone (m-iv)
+CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C	GFW	ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
+CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)Nc5ccccc5	GFZ	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{h}-chromene-2,4'-piperidine]-6-yl)-~{n}-phenyl-benzamide
+C(C(=O)NCC(=O)O)N	GG0	2-(2-azanylethanoylamino)ethanoic acid
+CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4	GG1	4-{[1-methyl-2,4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1,4-dihydroquinazolin-3(2h)-yl]methyl}benzoic acid
+COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O	GG2	1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxamide
+C[N@](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O	GG3	{1-hydroxy-3-[methyl(4-phenylbutyl)amino]propane-1,1-diyl}bis(phosphonic acid)
+CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5C=C(C=N5)[N+](=O)[O-]	GG4	(2s,3as,7as)-1-[(2s)-2-{[(2s)-2-cyclohexyl-2-({[(2r)-4-nitro-2h-pyrrol-2-yl]carbonyl}amino)acetyl]amino}-3,3-dimethylbutanoyl]-n-{(1s)-1-[(1r)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl}octahydro-1h-indole-2-carboxamide
+c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F	GG5	4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridine
+C[C@@H]([C@@H](O)P(=O)(O)O)O	GG6	[(1s,2s)-1,2-dihydroxypropyl]phosphonic acid
+C[C@H](N)P(=O)(O)O	GG7	[(1r)-1-aminoethyl]phosphonic acid
+c1ccc(cc1)S(=O)(=O)NCCC(F)(F)F	GG8	~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
+C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](C(F)F)(C(=O)O)OP(=O)(O)O	GG9	(3r,4s,5r)-5-[(1r)-1-carboxy-2,2-difluoro-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
+C[C@H](C(=O)NC[P@@](=O)(CCCCNCCCCN)OP(=O)(O)O)NC(=O)CC[C@H](C(=O)O)N	GGA	d-gamma-glutamyl-n-{[(r)-{4-[(4-aminobutyl)amino]butyl}(phosphonooxy)phosphoryl]methyl}-d-alaninamide
+[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N	GGB	l-canavanine
+c1ccc2c(c1)cccc2CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GGC	1-menaphthyl glutathione conjugate
+CCCCCCCCC=CCCCCCCCCC(=O)OC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC	GGD	nonadec-10-enoic acid 2-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy] -1-octadec-9-enoyloxymethyl-ethyl ester
+COc1ccccc1O[C@H](CO)[C@H](c2ccc(c(c2)OC)O)O	GGE	(1s,2r)-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
+c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6N=C(NC7=O)N)O)F)N=C(NC2=O)N	GGF	2-azanyl-9-[(1~{r},6~{r},8~{r},9~{r},10~{r},15~{r},17~{r},18~{r})-17-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{h}-purin-6-one
+C(C(=O)NCC(=O)NCC(=O)O)N	GGG	glycylglycylglycine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)N=C(NC2=O)N	GGH	2'-deoxy-5'-o-(hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)guanosine
+COc1ccc(cc1)c2c(c([nH]n2)N)c3cccc(c3)c4cccc(c4)N	GGJ	4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1h-pyrazol-5-amine
+CS(=O)(=O)NCC#Cc1ccc(cc1)S(=O)(=O)NCCC(F)(F)F	GGK	4-[3-(methylsulfonylamino)prop-1-ynyl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
+C(CC(=O)O)[C@@H](C(=O)O)N	GGL	gamma-l-glutamic acid
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)O[P@](=O)(NP(=O)(O)O)O	GGM	3'-o-(n-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate
+CCCc1cc(ccn1)c2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F	GGN	4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+c1cc2c(cc1CCN3C[C@@H]([C@H](CC3=O)c4cc(c(cc4F)F)F)N)OCO2	GGO	(4r,5r)-5-amino-1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
+c1c(cc(c(c1O)O)O)C(=O)OC[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5)O)O)O)OC(=O)c6cc(c(c(c6)O)O)O	GGP	beta-1,2,3,4,6-penta-o-galloyl-d-glucopyranose
+CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C	GGS	phosphonooxy-[(10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid
+Cc1cc2c(c(c3c(c2OC)[C@H](C[C@@H](C3=O)O)O[C@H]4C[C@@]([C@@H]([C@@H](O4)C)OC(=O)C)(C)O)O)c5c1[C@H]6[C@H]7[C@@](O5)([C@@]8(CO8)[C@@](O6)(O7)C(OC)OC)O[C@H]9C[C@H]([C@]([C@@H](O9)C)(C(=O)C)O)O	GGT	trioxacarcin a
+CC(C)(C)[C@@H](C(=O)N[C@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)N4C=CN(C4=O)Cc5cccc(n5)C(C)(C)O)O)NC(=O)OC	GGV	methyl [(1s)-1-{[(1r,3s,4s)-3-hydroxy-4-{[(2s)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1h-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC	GGW	methyl [(1s,4s,5s,7s,10s)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate
+Cc1cccc(n1)CN2C=CN(C2=O)[C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](C[C@@H](Cc4ccc(cc4)c5ccccn5)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)C(C)(C)C	GGX	methyl [(1s)-1-{[(1r,3s,4s)-4-{[(2s)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1h-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
+C[C@H](/C=C\C(F)(F)F)Oc1cc(ccc1C(=O)N)c2cc(cnc2N)c3cc(cs3)CN(C)C	GGY	4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{[(1r,2z)-4,4,4-trifluoro-1-methylbut-2-en-1-yl]oxy}benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)O[P@@](=O)(O4)O)N	GGZ	(2s,3ar,4r,6r,6ar)-4-(6-amino-9h-purin-9-yl)-6-({[(r)-hydroxy(sulfooxy)phosphoryl]oxy}methyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide
+COc1cccc(c1)C(=O)COc2ccc(cc2)CC3C(=O)NC(=O)S3	GH1	(5s)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
+CCOC(=O)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	GH2	ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
+c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N	GH3	3'-deoxy-guanosine-5'-triphosphate
+[H]/N=C/c1ncc(c(n1)N(CCOc2ccccc2)Cc3ccc4c(c3)OCO4)F	GH4	4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile
+c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F	GH5	4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
+C1CO[C@@H]2[C@H]1[C@H](NO2)C(=O)O	GH7	(3s,3ar,6as)-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid
+CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5	GH8	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{h}-chromene-2,4'-piperidine]-6-yl)-~{n}-(phenylmethyl)benzamide
+C1C([C@@H]([C@H]([N@@]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O	GHA	1'-((1,4-dideoxy-1,4-imino-d-arabinitol)-4-n-ammonium)-1'-deoxy-l-erythritol-3'-sulfate inner salt
+CC(C)Cc1cn(nn1)c2ccc(cc2)C(=O)NCCC(F)(F)F	GHB	4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+CCc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	GHC	n-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-l-glutamic acid
+C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O	GHE	(2r)-1-[6-[(2r)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid
+C([C@@H](C(=O)O)N)[C@@H](C(=O)N)O	GHG	(2s,4s)-2,5-diamino-4-hydroxy-5-oxopentanoic acid (non-preferred name)
+C[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CSC)NC(=O)[C@H]1[C@H]2CCO[C@H]2ON1)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C	GHJ	(3r,3ar,6as)-n-[(4r,7s,8s,10r,13s)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide
+c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)N	GHK	4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide
+c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O	GHM	benzene-1,2,4-tricarboxylic acid
+CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F	GHN	ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
+c1cc(ccc1[C@H](C(=O)O)N)O	GHP	(2r)-amino(4-hydroxyphenyl)ethanoic acid
+c1ccc(cc1)C(=O)NCCC(F)(F)F	GHQ	~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+c1cc(ccc1NC(=O)O/N=C\2/[C@@H]([C@H]([C@@H]([C@H](N2)CO)O)O)O)Cl	GHR	[[(3s,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino] n-(4-chlorophenyl)carbamate
+[H]/N=C(\N)/NCCCCCC(=O)O	GHS	6-carbamimidamidohexanoic acid
+CN1CCc2cc(c(c3c2c1cc4c3cc(c(c4)O)OC)OC)O	GHT	boldine
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)OCC	GHU	ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate
+CN(C)c1ccc(cc1)/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO	GHV	(2s)-2-[[(e)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-n-[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide
+Cc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	GHW	n-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-l-glutamic acid
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3	GHX	(phenylmethyl) n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
+CC(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	GHY	propan-2-yl n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
+CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	GHZ	2-methylpropyl n-[(2s)-1-oxidanylidene-1-[[(2s)-1-oxidanyl-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
+CO[C@@H](c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)O	GI1	methoxycarbonyl-substituted glucoimidazole
+COC(=O)Cc1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	GI2	methyl acetate-substituted glucoimidazole
+c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C(=O)O	GI3	carboxylate-substituted glucoimidazole
+c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)CC(=O)O	GI4	methyl acetic acid-substituted glucoimidazole
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)N	GI6	(2r)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)COC)C#N)C(C)C)C#N)N	GI8	(4~{s})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazole-5-carbonitrile
+c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3cccc(c3)F)C(=O)O	GIA	3-fluoro-n-(naphthalen-2-ylcarbonyl)-d-phenylalanine
+c1ccc2c(c1)c(c[nH]2)CC(=O)N(CCN)CC(=O)O	GIC	n-(2-aminoethyl)-n-(1h-indol-3-ylacetyl)glycine
+C1[C@@H]([C@@H]([C@@H](CN1)O)O)CO	GIF	d-galacto-isofagomine
+COC(=O)Nc1[nH]c2ccc(cc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F	GIG	methyl (5-{4-[({[2-fluoro-5-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-1h-benzimidazol-2-yl)carbamate
+[H]/N=C(\c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccc(cc3C(=O)O)C(=O)NCC(C)C)F)N(C(C)C)C(C)C)F)/N	GIL	2-{[6-{3-[amino(imino)methyl]phenoxy}-4-(diisopropylamino)-3,5-difluoropyridin-2-yl]oxy}-5-[(isobutylamino)carbonyl]ben zoic acid
+c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O	GIM	glucoimidazole
+CCCc1ccc(cc1C(F)(F)F)NC(=O)c2ccccc2NCC3=CNC(=O)C=C3	GIN	2-{[(6-oxo-1,6-dihydropyridin-3-yl)methyl]amino}-n-[4-propyl-3-(trifluoromethyl)phenyl]benzamide
+C1C[C@H]2C(=O)NCC(=O)N2C1	GIO	cyclo-(glycine-l-proline) inhibitor
+c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)I	GIP	s-(n-hydroxy-n-iodophenylcarbamoyl)glutathione
+Cn1c2ccc3c(c2nc1N)cccn3	GIQ	3-methyl-3h-imidazo[4,5-f]quinolin-2-amine
+c1c([nH]c(n1)N)[C@@H]([C@H](CN)Cl)O	GIR	girodazole
+CCOC(=O)[C@H](c1ccc(cc1C(=O)O)NC(=N)N)Cl	GIS	ethyl-(2-carboxy-4-guanidinium-phenyl)-chloroacetate
+CC(=O)Cn1c(c(nn1)c2ccccc2)COC(=O)NCc3ccccc3	GIT	[1-(2-oxopropyl)-4-phenyl-1h-1,2,3-triazol-5-yl]methyl benzylcarbamate
+C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O	GIV	beta-l-galactopyranose
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Ga+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C	GIX	protoporphyrin ix containing ga
+Cc1cc(ccc1OCc2cccc(n2)CO)OC	GJ1	{6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol
+c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)NCCC(F)(F)F	GJ2	4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
+CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F	GJ5	4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+CCC(=O)N1C[C@@H]2C[C@H]1CN2c3ccc(c(n3)Oc4ccc(cc4)Oc5ccccc5)C(=O)N	GJ7	2-(4-phenoxyphenoxy)-6-[(1s,4s)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
+c1ccc(cc1)S(=O)(=O)NCc2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F	GJ8	4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+C=CC(=O)N[C@H]1CCN(C1)c2ccc(c(n2)Oc3ccc(cc3)Oc4ccccc4)C(=O)N	GJA	6-[(3s)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
+c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O	GJB	1-(2-phenylethyl)pyrimidine-2,4,6(1h,3h,5h)-trione
+CCC(=O)N[C@H]1CCN(C1)c2ncc(c(n2)N)C(=O)N	GJD	4-amino-2-[(3s)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
+c1cc(ccc1C(=O)NCCC(F)(F)F)N=[N+]=[N-]	GJE	4-azido-~{n}-[3,3,3-tris(fluoranyl)propyl]benzamide
+c1cc(ncc1C(=O)N)NC2CCCCC2	GJG	6-(cyclohexylamino)pyridine-3-carboxamide
+CC(C)(C)NC(=O)c1ccc(cc1)Nc2c(ccc(n2)N3CC[C@@H](C3)NC(=O)C=C)C(=O)N	GJJ	6-[(3s)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide
+CC(=O)/C=C/c1ccc(c(c1)OC)O	GJK	(~{e})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
+Cc1c(ccc(c1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C	GJL	4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{h}-pyrazol-3-one
+CC(=O)Nc1cccc(c1)c2ccc(c3c2cc([nH]3)C(=O)NS(=O)(=O)c4ccc(cc4)OC)[N+](=O)[O-]	GJO	4-(3-acetamidophenyl)-n-(4-methoxyphenyl)sulfonyl-7-nitro-1h-indole-2-carboxamide
+c1ccc2c(c1)c(c(cn2)C(=O)O)O	GJP	4-hydroxyquinoline-3-carboxylic acid
+c1cc(ccc1[C@@H]2N=C(N=C(N2c3ccc(c(c3)Cl)Cl)N)N)[N+](=O)[O-]	GJQ	(2~{r})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{h}-1,3,5-triazine-4,6-diamine
+c1cnc(cc1OCC(F)F)Cn2cnc3c2nc(nc3N)Cl	GJR	9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine
+c1cc(c(cc1O)C(=O)O)C(=O)O	GJS	4-hydroxybenzene-1,2-dicarboxylic acid
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CO)C(=O)O	GJT	(3~{r},4~{r},5~{s})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid
+C[C@@H](c1cc(ccn1)OCC(F)F)n2cnc3c2nc(nc3N)Cl	GJU	9-[(1~{s})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCCNC(=[NH2+])N)O)O)N	GJV	9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-d-ribo-heptofuranosyl)-9h-purin-6-amine
+c1cc2n(c1)-c3ccc(cc3NC2=O)CN4CCCC4	GJW	7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5h)-one
+CC/C=C\C/C=C\C/C=C\CCCCCCCC[P@](=O)(OC)F	GJY	methyl-9z,12z,15z-octadecatrienylphosphonofluoridate
+c1ccc(cc1)[C@@H]2C[C@H]2N	GJZ	(1r,2s)-2-phenylcyclopropanamine
+c1c(cc(c(c1O)O)O)/C=N/NC(=O)c2cc(c(c(c2)O)O)O	GK0	3,4,5-tris(oxidanyl)-~{n}-[(~{e})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide
+Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4csc(n4)C=O)O	GK1	4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde
+B([C@@H]1CCCN1C(=O)[C@@H](C(C)C)N)(O)O	GK2	[(2~{r})-1-[(2~{r})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid
+Cc1ccc(cc1c2ccc(cc2)C(=O)Nc3cccc(c3)C#N)c4nnc(o4)C	GK3	n-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
+Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C	GK4	n-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
+Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CC4	GK5	n~3~-cyclopropyl-n~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
+Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)NC(=O)c4ccnc(c4)N5CCOCC5	GK6	n-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)C(=O)NS(=O)(=O)C6(CC6)C	GK7	methyl [(2s)-1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate
+c1c([nH]cn1)C[C@@H](CO[As](O)(O)O)N	GK8	{[(2s)-2-amino-3-(1h-imidazol-5-yl)propyl]oxy}(trihydroxy)-lambda~5~-arsanyl
+COc1ccc2c(c1)CCCN2c3c4c(cco4)nc(n3)Cl	GK9	1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C(C)(C)C)NC(=O)C)C(=O)NS(=O)(=O)C6(CC6)C	GKA	(2r,6s,12z,13as,14ar,16as)-6-[(n-acetyl-3-methyl-l-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-n-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5h)-carboxamide
+Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3ccc4c(c3)C[C@@H](C4)Nc5cncnc5)C(F)(F)F	GKB	(2~{r})-~{n}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{h}-indene-5-carboxamide
+C1CCC(CC1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	GKC	(2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(2~{r},3~{s},4~{r},5~{r},6~{r})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H](C(=O)[C@@H](O4)CO)O)O)O)O)N=C(NC2=O)N	GKD	guanosine 5'-diphosphate-4-keto-beta-l-gulose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N	GKE	guanosine 5'-diphosphate-beta-l-gulose
+c1cc(c2c(c1)c(n[nH]2)I)C=O	GKF	3-iodanyl-1~{h}-indazole-7-carbaldehyde
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C	GKG	1,1,1-trifluoro-2-methylpropan-2-yl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate
+c1cc2c(cc1O)sc(n2)/C=C/c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	GKH	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[[2-[(~{e})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate
+CCCCCOC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C	GKJ	pentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate
+C[N@]1CC[C@@H](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)Cl)C#N	GKK	2-chloro-4-{[(3s)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile
+CC(C)C[C@@H]([C@H](CN[C@@H](C(C)C)C(=O)O)O)N	GKL	n-[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-valine
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCCC6)C)C(=O)NS(=O)(=O)C7(CC7)C	GKM	1-methylcyclopentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O	GKN	3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid
+c1c(cc(c(c1)O)O)/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c2cc(c(cc2)O)O)C(=O)O	GKP	(2r,3r)-2,3-bis{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
+c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4CCCC4	GKQ	~{n}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
+[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O	GKR	d-glucarate
+C1[C@@H](O[C@@H]([C@H]1O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CC2=C(C(=O)NC(=N2)N)NC=O	GKS	1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-d-ribo-hexitol
+Cc1ccc(cc1I)C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4	GKT	3-iodanyl-4-methyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide
+C[C@H](Cc1ccc(cc1)O)NC	GKU	4-[(2r)-2-(methylamino)propyl]phenol
+COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO	GKW	1-[(4-methoxyphenyl)methyl]-~{n}-oxidanyl-indole-6-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCC2CCCCC2	GKX	(2~{s})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid
+CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC	GKY	n-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-n-propylpropan-1-amine
+Cc1c(c([nH]n1)c2ccc(cc2O)OCC[NH+]3CCC(CC3)C(=O)N)c4ccc(cc4)Cl	GKZ	1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{h}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide
+C([C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O	GL0	beta-d-gulopyranose
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O	GL1	1-o-phosphono-alpha-d-galactopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)N)O)O)O)O	GL2	(5s,7r,8s,9s,10r)-3-amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
+C(C(=O)S)N	GL3	thioglycin
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=S)N2)O)O)O)O	GL4	(5s,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)O)O)O)O)O	GL5	(5s,7r,8s,9s,10r)-3,8,9,10-tetrahydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
+COP(=O)(N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC	GL6	n-(dimethoxyphosphoryl)-beta-d-glucopyranosylamine
+CN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O	GL7	8,9,10-trihydroxy-7-hydroxymethyl-3-methyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione
+COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N+](=C2)CCCCCCCCN5C(=O)c6ccccc6C5=O)C=C[C@@H](C4)O	GL8	galanthamine derivative
+CC(=O)NN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O	GL9	n-[(5s,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	GLA	alpha-d-galactopyranose
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	GLB	beta-d-galactose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O	GLC	alpha-d-glucopyranose
+C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)O)O	GLD	4,6-dideoxy-alpha-d-xylo-hexopyranose
+CCCCCCCCCCOCC(COCC(F)(F)F)O[P@@](=O)(O)OC	GLE	1-decyl-3-trifluoro ethyl-sn-glycero-2-phosphomethanol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)O	GLF	alpha-d-glucopyranosyl fluoride
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C(=O)N)O)O)O)O	GLG	alpha-d-glucopyranosyl-2-carboxylic acid amide
+C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)CC[C@@H](C(=O)O)N	GLH	n-5-cyclohexyl-n-5-[(cyclohexylamino)carbonyl]glutamine
+CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)CC[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O	GLI	ala-ala-phe-psi((s)-choh-ch2)-gly-val-val-ome
+C(CC(O)O)[C@@H](C(=O)O)N	GLJ	5,5-dihydroxy-l-norvaline
+C(CC(=O)O)[C@@H](C(O)O)N	GLK	(4s)-4-amino-5,5-dihydroxypentanoic acid
+C12C(NC(=O)N1)NC(=O)N2	GLL	glycoluril
+CC(=O)CN	GLM	1-amino-propan-2-one
+C(CC(=O)N)[C@@H](C(=O)O)N	GLN	glutamine
+C(CC(=O)N)[C@@H](C(=O)[O-])[NH-]	GLN_LEO2	l-glutamine c-terminal deprotonated fragment
+C(CC(=O)N)[C@@H](C(=O)O)[NH-]	GLN_LEO2H	l-glutamine c-terminal protonated fragment
+C(CC(=O)N)[C@@H](C(=O)O)N	GLN_LFOH	l-glutamine free neutral
+C(CC(=O)N)[C@@H](C(=O)[O-])[NH3+]	GLN_LFZW	l-glutamine free zwitterion
+C(CC(=O)N)[C@@H]([C-]=O)[NH-]	GLN_LL	l-glutamine - linking embedded fragment
+C(CC(=O)N)[C@@H]([C-]=O)[NH3+]	GLN_LSN3	l-glutamine n-terminal protonated fragment
+C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O	GLO	d-glucose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O	GLP	2-amino-2-deoxy-6-o-phosphono-alpha-d-glucopyranose
+C(CC(=O)O)C(C=O)N	GLQ	4-amino-5-oxo-pentanoic acid
+C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-]	GLR	2,3-dihydroxy-5-oxo-hexanedioate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)O)O	GLS	beta-d-glucopyranose spirohydantoin
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)O)O)O)O)O	GLT	5-thio-alpha-d-glucopyranose
+C(CC(=O)O)[C@@H](C(=O)O)N	GLU	glutamic acid
+C(CC(=O)O)[C@@H](C(=O)[O-])[NH-]	GLU_LEO2	l-glutamic acid c-terminal deprotonated fragment
+C(CC(=O)O)[C@@H](C(=O)O)[NH-]	GLU_LEO2H	l-glutamic acid c-terminal protonated fragment
+C(CC(=O)[O-])[C@@H](C(=O)O)[NH-]	GLU_LEO2H_DHE2	l-glutamic acid-c-terminal protonated fragment/with side chain deprotonated oe2
+C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH-]	GLU_LEO2_DHE2	l-glutamic acid-c-terminal deprotonated fragment/with side chain deprotonated oe2
+C(CC(=O)O)[C@@H](C(=O)O)N	GLU_LFOH	l-glutamic acid free neutral
+C(CC(=O)[O-])[C@@H](C(=O)O)N	GLU_LFOH_DHE2	l-glutamic acid-free neutral/with side chain deprotonated oe2
+C(CC(=O)O)[C@@H](C(=O)[O-])[NH3+]	GLU_LFZW	l-glutamic acid free zwitterion
+C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH3+]	GLU_LFZW_DHE2	l-glutamic acid-free zwitterion/with side chain deprotonated oe2
+C(CC(=O)O)[C@@H]([C-]=O)[NH-]	GLU_LL	l-glutamic acid - linking embedded fragment
+C(CC(=O)[O-])[C@@H]([C-]=O)[NH-]	GLU_LL_DHE2	l-glutamic acid-linking embedded fragment/with side chain deprotonated oe2
+C(CC(=O)O)[C@@H]([C-]=O)[NH3+]	GLU_LSN3	l-glutamic acid n-terminal protonated fragment
+C(CC(=O)[O-])[C@@H]([C-]=O)[NH3+]	GLU_LSN3_DHE2	l-glutamic acid-n-terminal protonated fragment/with side chain deprotonated oe2
+C(=O)C(=O)O	GLV	glyoxylic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	GLW	6-deoxyglucose
+*=C(*)CC[C@@H](C(=O)O)N	GLX	glu/gln ambiguous
+C(C(=O)O)N	GLY	glycine
+C(C(=O)[O-])[NH-]	GLY_LEO2	l-glycine c-terminal deprotonated fragment
+C(C(=O)O)[NH-]	GLY_LEO2H	l-glycine c-terminal protonated fragment
+C(C(=O)O)N	GLY_LFOH	l-glycine free neutral
+C(C(=O)[O-])[NH3+]	GLY_LFZW	l-glycine free zwitterion
+C([C-]=O)[NH-]	GLY_LL	l-glycine - linking embedded fragment
+C([C-]=O)[NH3+]	GLY_LSN3	l-glycine n-terminal protonated fragment
+C(C=O)N	GLZ	amino-acetaldehyde
+C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O	GM0	4-o-phosphono-l-glycero-alpha-d-manno-heptopyranose
+C(C(=O)N)N	GM1	aminomethylamide
+CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](CCCCCCCCCCCCCCCC)O	GM2	n-[(1s,2s)-2-hydroxy-1-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)octadecyl]octadecanamide
+CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCCCCC)O	GM3	n-{1-[(hexopyranosyloxy)methyl]-2-hydroxynonadecyl}tetracosanamide
+C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(CCN2CC=C(C)C)C)O	GM4	(2s,6s,11s)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
+c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO	GM5	~{n}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NC	GM6	3-(n-hydroxycarboxamido)-2-isobutylpropanoyl-trp-methylamide
+c1cc(c(cc1N)C(=O)O)C(=O)O	GM7	4-aminobenzene-1,2-dicarboxylic acid
+CC[C@@H]([C@@H]1CCCC[C@@H]1N)C(=O)O	GM8	(2s)-2-[(1s,2s)-2-aminocyclohexyl]butanoic acid
+CC(C)(C)c1ccc(cc1)CN(Cc2cccc(c2)OCC(=O)O)S(=O)(=O)c3cccnc3	GM9	2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid
+C(CC(=O)O)[C@@H](C(=O)N)N	GMA	4-amido-4-carbamoyl-butyric acid
+C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O	GMB	1,7-di-o-phosphono-l-glycero-beta-d-manno-heptopyranose
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O	GMC	(2r,3r,4s,5s)-4-amino-2-[6-(dimethylamino)-9h-purin-9-yl]-5-(hydroxymethyl)tetrahydro-3-furanol
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCCCO	GMD	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol
+COC(=O)CC[C@@H](C(=O)O)N	GME	5-o-methyl-glutamic acid
+[H]/N=C(\N)/N[C@H](c1ccncc1)c2cccc(c2)c3cccc(c3)OC	GMF	2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine
+c1ccc2cc(ccc2c1)c3cc4c(c[nH]c4nc3)c5ccc(cc5)CC(=O)O	GMG	[4-(5-naphthalen-2-yl-1h-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid
+C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O	GMH	l-glycero-alpha-d-manno-heptopyranose
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(CP(=O)(O)O)O	GMI	[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid
+c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F	GMJ	4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
+COc1cccc(c1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4cccc(c4)OC)OS(=O)(=O)O)CO)O	GMK	(3-deoxy-3-(3-methoxy-benzamido)-b-d-galactopyranosyl)-(3-deoxy-3-(3-methoxy-benzamido)-2-o-sulfo-b-d-galactopyranosyl)-sulfide
+CCCCCCCCCCCCCCCCCC\C=C/CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	GMM	glucose monomycolate
+CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC	GMN	2,2',2"-[1,2,3-benzene-triyltris(oxy)]tris[n,n,n-triethylethanaminium]
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)N1CC(=O)O)N)O	GMO	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N	GMP	guanosine
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc(c3CO)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C(=O)N6CCOCC6)C	GMQ	6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one
+CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C	GMR	3-ethyl-4-methyl-n-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1h-pyrrole-1-car boxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)[SeH])O)N=C(NC2=O)N	GMS	2'-deoxyguanosine-5'-monoselenophosphate
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H](CC(=O)O)C(=O)O)CO)O)O	GMT	(2s)-2-{[2-acetamido-2-deoxy-alpha-d-glucopyranosyl]oxy}butanedioic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCNC(N)N	GMU	2'-o-[(2-guanidinium)ethyl]-5-methyluridine 5'-monophosphate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N=C(NC2=O)N	GMV	guanosine-5'-phosphovanadate
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc4c3C[C@@H](CC5=C4C=C(C(=O)N5C)Nc6ccc(cn6)C(=O)N7CCOCC7)O	GMW	(9~{s})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one
+C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O)OP(=O)(O)O	GMX	2-amino-9-(6-deoxy-5-o-phosphono-beta-d-allofuranosyl)-3,9-dihydro-6h-purin-6-one
+C[C@@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC	GMY	geldanamycin
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O	GMZ	1,7-di-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl	GN0	(2~{r})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O	GN1	2-acetamido-2-deoxy-1-o-phosphono-alpha-d-glucopyranose
+c1ccc(c(c1)SC2=C(C[C@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl	GN2	(2~{s})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(NP(=O)(O)O)O)O)N=C(NC2=O)N	GN3	[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)O	GN4	2-acetamido-2-deoxy-4-o-phosphono-beta-d-glucopyranose
+CC(C)(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2	GN5	2-(4-tert-butylphenyl)-1h,2h,3h,4h-pyrido(2,3-d)pyrimidin-4-one
+c1cc(c(c(c1)Cl)Cl)c2cccc3n2nc(n3)N	GN6	5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)NC(=N2)N	GN7	n7-2'-deoxy-guanosine-5'-monophosphate
+c1ccc(cc1)CN2C(=O)/C(=C/c3cccc(c3O)[N+](=O)[O-])/SC2=S	GN8	(z)-3-benzyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one
+CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CCC(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C	GN9	gallinamide a, bound form
+CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)NC(=N)N	GNA	2,4-deoxy-4-guanidino-5-n-acetyl-neuraminic acid
+c1cc(ccc1COC(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	GNB	s-p-nitrobenzyloxycarbonylglutathione
+CN[C@@H](CCC(=O)N)C(=O)O	GNC	n~2~-methyl-l-glutamine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH3+]	GND	2-amino-5-guanidino-pentanoic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NC=CN4C2=O	GNE	1,n2-ethenoguanine
+COc1ccc(cc1)NCCNC(=O)[C@H](CC2CCCCC2)Nc3nc4ccccc4o3	GNF	n~2~-1,3-benzoxazol-2-yl-3-cyclohexyl-n-{2-[(4-methoxyphenyl)amino]ethyl}-l-alaninamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N	GNG	2'-deoxy-guanosine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=C(NC2=O)N	GNH	aminophosphonic acid-guanylate ester
+c1ccc(cc1)c2c(c(no2)c3cccc(c3)CC(=O)O)C(=O)NCCOc4ccc(cc4Cl)Cl	GNI	(3-{4-[2-(2,4-dichloro-phenoxy)-ethylcarbamoyl]-5-phenyl-isoxazol-3-yl}-phenyl)-acetic acid
+c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O	GNJ	4-hydroxy-8-sulfoquinoline-3-carboxylic acid
+c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)Cl	GNK	(1~{s},5~{r})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
+CC1=N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O	GNL	(3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O	GNM	8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(cc(c1)OCC(=O)O)CN(Cc2ccc(cc2)n3cccn3)S(=O)(=O)c4cccnc4	GNO	2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N	GNP	phosphoaminophosphonic acid-guanylate ester
+C[C@@H](CNc1ccc(cc1)OC(F)(F)F)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2)NC(=O)N3CCOCC3	GNQ	n-[(1r)-1-[(benzylsulfonyl)methyl]-2-{[(1s)-1-methyl-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl]amino}-2-oxoethyl]morpholine-4-carboxamide
+c1ccc2c(c1)NC(=O)[C@H](S2)CC(=O)NO	GNR	2-(3,4-dihydro-3-oxo-2h-benzo[b][1,4]thiazin-2-yl)-n-hydroxyacetamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)O	GNS	2-deoxy-2-(sulfoamino)-alpha-d-glucopyranose
+C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O	GNT	(-)-galanthamine
+COc1cc(ccc1O)C[C@H](CO)[C@H](Cc2ccc(c(c2)OC)O)CO	GNU	(2s,3s)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol
+c1cc2c(c(c1)C(=O)O)ncc(c2O)C(=O)O	GNV	4-hydroxyquinoline-3,8-dicarboxylic acid
+c1cc(cc(c1)Cl)CN2CCNCC2	GNW	1-[(3-chlorophenyl)methyl]piperazine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)O	GNX	2-deoxy-3-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose
+CC(C)c1cccc2c1ncc(c2O)C(=O)O	GNY	4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid
+c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)C(F)(F)F	GNZ	(1~{s},5~{r})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one
+c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)Cl	GO0	3-(carboxymethyl)-4,7-dichloro-1h-indole-2-carboxylic acid
+c1c(cc(c2c1c(c([nH]2)C(=O)O)CC(=O)O)Cl)Cl	GO1	3-(carboxymethyl)-5,7-dichloro-1h-indole-2-carboxylic acid
+[H]/N=C(/N)\Nc1nc2ccccc2s1	GO2	1-(1,3-benzothiazol-2-yl)guanidine
+c1cc(ccc1CCN2[C@@H]3CCC[C@H]2CC(=O)C3)Cl	GO5	(1~{r},5~{s})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
+COc1cc(ccc1O)C[C@@H](CO)[C@@H](Cc2ccc(c(c2)OC)O)CO	GO6	(2r,3r)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol
+CC(C)(COc1ccc(c(c1)O[C@H]2CCN(C[C@H]2F)C(=O)Cc3ccc(cc3)OC(F)(F)F)C(=O)N)O	GO7	2-{[(3r,4s)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide
+CC(C)Sc1[nH]c2c(ncnc2n1)N	GO8	8-propan-2-ylsulfanyl-7~{h}-purin-6-amine
+C(COCCOCC(CO)(COCCO)COCCO)O	GO9	3-(2-hydroxyethyloxy)-2-[2-(2-hydroxyethyloxy)ethoxymethyl]-2-(2-hydroxyethyloxymethyl)propan-1-ol
+C(C(=O)O)O	GOA	glycolic acid
+COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)N(c2ccccc2)c3ccc(cc3)N)OC	GOB	4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid
+Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5	GOC	n-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
+CNC(=O)c1cc(c(nc1)N)O[C@H]2CN(CC2(F)F)C(=O)Cc3ccc(cc3)OC(F)(F)F	GOD	6-amino-5-{[(3s)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-n-methylpyridine-3-carboxamide
+CCCNC(=O)Nc1cccc(n1)C	GOE	1-(6-methylpyridin-2-yl)-3-propyl-urea
+COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5	GOF	n-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
+c1cc(c(c(c1)O)C(=O)O)C(=O)O	GOG	3-hydroxybenzene-1,2-dicarboxylic acid
+c1ccn(c1)c2c(nc(o2)C3CC3)c4[nH]nnn4	GOH	5-[2-cyclopropyl-5-(1h-pyrrol-1-yl)-1,3-oxazol-4-yl]-1h-1,2,3,4-tetrazole
+c1ccc2c(c1)C=Cc3ccccc3N2CCCN4CCN(CC4)CCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	GOI	2-{4-[3-(5h-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethyl beta-d-glucopyranoside
+CCOC(=O)c1c[nH]nc1	GOJ	ethyl 1~{h}-pyrazole-4-carboxylate
+Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO	GOK	2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{n}-oxidanyl-pyrimidine-5-carboxamide
+C(C(CO)O)O	GOL	glycerol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)([O-])OC[C@H](CCC(=O)[O-])[NH3+])O)O)N	GOM	glutamol-amp
+c1ccc(cc1)c2cn[nH]c2c3ccc(cc3O)OCCN4CCC(CC4)C(=O)N	GON	1-[2-[3-oxidanyl-4-(4-phenyl-1~{h}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide
+CO[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N	GOO	(1r,2r,3r,4s,5r)-4-amino-5-methoxycyclopentane-1,2,3-triol
+C(CC(=O)N)[C@@H](C(=O)O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	GOP	glucopine
+COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]	GOQ	8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
+C([C@H]([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O	GOS	d-glucitol-1,6-bisphosphate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC	GOT	phospholipid pg(16:0/cy17:0)
+CC(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N	GOU	6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine
+C[C@@H](CNCc1ccc2c(c1)OCO2)O	GOV	(2s)-1-{[(2h-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol
+Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO	GOW	3-benzamido-4-methyl-~{n}-oxidanyl-benzamide
+C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O	GOX	(2s,3s,4r,5r)-6-(hydroxyamino)-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
+C1CCN(CC1)C(=O)N2CCCCC2	GOY	di(piperidin-1-yl)methanone
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(nc(c3)N)N)N	GOZ	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@]([C@@H]([C@H](O2)CO)O)(CO)O)O)F	GP0	5-fluoro-1-[3-c-(hydroxymethyl)-beta-d-glucopyranosyl]pyrimidine-2,4(1h,3h)-dione
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O	GP1	2-amino-2-deoxy-1-o-phosphono-alpha-d-glucopyranose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N	GP2	phosphomethylphosphonic acid guanosyl ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N	GP3	diguanosine-5'-triphosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)OP(=O)(O)O)O	GP4	2-amino-2-deoxy-4-o-phosphono-alpha-d-glucopyranose
+c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N	GP5	diguanosine-pentaphosphate
+[H]/N=C(\c1ccc(cc1)NC(=O)Nc2ccc(cc2)Cl)/N	GP6	1-(4-amidinophenyl)-3-(4-chlorophenyl)urea
+CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCC=CC/C=C/CCC	GP7	(1r)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12e)-hexadeca-9,12-dienoate
+c1ccc(cc1)Oc2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=N)N	GP8	1-(2-amidinophenyl)-3-(phenoxyphenyl)urea
+C(C(COP(=O)([O-])[O-])O)O	GP9	(2r)-2,3-dihydroxypropyl phosphate
+[H]/N=C(/N)\NC[C@@H](C(=O)O)N	GPA	2-amino-3-guanidino-propionic acid
+Cc1c2c(c[nH]c2nc(n1)N)CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	GPB	n-[4-[2-(2-amino-4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoyl]glutamic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N	GPC	2'-fluoroguanylyl-(3'-5')-phosphocytidine
+C[C@@H]1[C@H](C[C@@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)N	GPD	(2r,3s,5s,6r)-5-amino-3-hydroxy-6-methyl-oxan-2-yl
+C(CO[P@](=O)(O)OC[C@@H](CO)O)N	GPE	l-alpha-glycerophosphorylethanolamine
+C(C(=O)O)NCP(=O)(O)O	GPF	n-(phosphonomethyl)glycine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5N=C(NC6=O)N)CO)O)O)O)N=C(NC2=O)N	GPG	guanylyl-2',5'-phosphoguanosine
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O	GPH	4-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc2cccnc2	GPI	(2s)-[3-pyridyl-1-propyl]-1-[3,3-dimethyl-1,2-dioxopentyl]-2-pyrrolidinecarboxylate
+C(C(=O)O)[NH2+]CP(=O)(O)O	GPJ	glyphosate
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F	GPK	5-fluoro-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H](C(=O)O)N)O)O)O)N=C(NC2=O)N	GPL	lysine guanosine-5'-monophosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)CP(=O)(O)O)O)O)O)O	GPM	(1s)-1,5-anhydro-1-(phosphonomethyl)-d-glucitol
+c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O)N=C(NC2=O)N	GPN	2-aminoethylglycine-carbonylmethylene-guanine
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O	GPO	4-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C	GPP	geranyl diphosphate
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl	GPQ	5-chloro-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GPR	(9r,10r)-9-(s-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene
+c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GPS	l-gamma-glutamyl-s-[(9s,10s)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-l-cysteinylglycine
+C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCF)O	GPT	(2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br	GPU	5-bromo-1-(beta-d-glucopyranosyl)pyrimidine-2,4(1h,3h)-dione
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)I	GPV	1-(beta-d-glucopyranosyl)-5-iodopyrimidine-2,4(1h,3h)-dione
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F	GPW	1-(beta-d-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1h,3h)-dione
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N	GPX	guanosine 5'-diphosphate 2':3'-cyclic monophosphate
+CC(C)(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N	GQ0	9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OS(=O)(=O)O)O	GQ1	4-o-sulfo-alpha-d-glucopyranose
+CC(C)(C)C1=NOC(C1)Cn2cnc3c2nc(nc3Cl)N	GQ3	9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
+C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C	GQ5	1-methyl-~{n}-[2-[[(2~{s})-2-methylpyrrolidin-1-yl]methyl]-3~{h}-benzimidazol-5-yl]indazole-5-carboxamide
+Cc1ccc(cc1)Cn2cnc3c2nc(nc3Cl)N	GQ6	6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine
+c1cc(ccc1c2ccc(o2)CO)N	GQ7	[5-(4-aminophenyl)furan-2-yl]methanol
+C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C6CC6	GQ8	1-cyclopropyl-~{n}-[2-[[(2~{s})-2-methylpyrrolidin-1-yl]methyl]-3~{h}-benzimidazol-5-yl]indazole-5-carboxamide
+c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N	GQ9	6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine
+CN1C=CC=C(C1=S)O	GQA	1-methyl-3-oxidanyl-pyridine-2-thione
+c1ccc2c(c1)cc([nH]2)C(=O)NCc3ccc4c(c3)S=C(N4)N	GQB	~{n}-[(2-azanyl-3~{h}-1,3-benzothiazol-6-yl)methyl]-1~{h}-indole-2-carboxamide
+Cc1cccc(c1)C2CCC(CC2)[NH+]3CCN(CC3)c4cc(cnc4)Br	GQC	1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium
+C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)C)c3ccc(cc3)/C=C/C(=O)O)O	GQD	(e)-3-[4-[(1r,3r)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1h-isoquinolin-1-yl]phenyl]prop-2-enoic acid
+COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO	GQE	3-benzamido-4-methoxy-~{n}-oxidanyl-benzamide
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccccc3	GQG	n,n-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine
+C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-]	GQH	(2~{s})-~{n}-[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
+COC(=O)[C@@H]1C[C@H](CN1C(=O)c2ccco2)O	GQJ	methyl (2~{s},4~{r})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C(C)(C)O)O)NC(=O)CN3CCOCC3	GQK	(2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{r})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+COc1cccc(c1)/C(=C/2\C=Nc3c2c(ccn3)c4cc(cc(c4)F)F)/O	GQL	(e)-[4-(3,5-difluorophenyl)-3h-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
+COc1ccc(c(c1)O)c2cc[nH]n2	GQM	5-methoxy-2-(1~{h}-pyrazol-3-yl)phenol
+COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO	GQN	4-methoxy-~{n}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(=O)N(C)C	GQO	2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n,n-dimethylethane-1-sulfonamide
+c1ccc2c(c1)ncn2Cc3ccc(cc3)F	GQP	1-[(4-fluorophenyl)methyl]benzimidazole
+CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)c2cnccn2	GQQ	~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide
+c1ccc2c(c1)CC[C@@H]2N	GQR	(1~{s})-2,3-dihydro-1~{h}-inden-1-amine
+Cc1nnc(s1)Nc2cccc(c2)F	GQS	n-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
+CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-]	GQT	(2~{s})-~{n}-[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
+c1c(cc(cc1F)F)CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O	GQU	(3~{s},3~{a}~{s},6~{a}~{r})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{h}-cyclopenta[c]pyrrole-3-carboxamide
+CN1C=CC=C(C1=O)O	GQV	1-methyl-3-oxidanyl-pyridin-2-one
+c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO	GQW	~{n}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
+COc1cc(ccc1N)N2CCOCC2	GQY	2-methoxy-4-morpholin-4-yl-aniline
+c1ccc(cc1)NC(=O)c2cccc(c2)C(=O)NO	GQZ	~{n}1-oxidanyl-~{n}3-phenyl-benzene-1,3-dicarboxamide
+CC(=CCC/C(=C/CCC(=CCCC(=CCOP(=O)(O)O)C)C)/C)C	GR0	geranylgeranyl monophosphate
+CCN(CC)C(=O)c1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O	GR1	6-carbamimidoyl-2-[5-(3-diethylcarbamoyl-phenyl)-2-hydroxy-indan-1-yl]-hexanoic acid
+CC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3Cc4ccccc4[C@H]3OC2=O	GR2	(3e,3ar,8bs)-3-({[(2r)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2h-indeno[1,2-b]furan-2-one
+CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O)OC(=O)C)C)C)C)O)C	GR3	3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-16-hydroxy-4,10,13,14-tetramethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-4-carboxylic acid
+CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]2([C@]1([C@H](C[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)OC(=O)C)C)O)C)CO)O)C	GR4	r3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-12,16-dihydroxy-14-hydroxymethyl-4,10,13-trimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-4-carboxylic acid idopyranosyl ester
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3[C@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	GR5	(2ar,4s,4ar,7ar,7br)-octahydro-2h-1,7-dioxacyclopenta[cd]inden-4-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
+COc1ccc2c(c1)OCC\C=C\CCCCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	GR6	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-1-benzyl-2-hydroxy-3-[(7e)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2h-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate
+COc1ccc2c(c1)COC/C=C/CCCCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	GR7	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[(7e)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3h)-yl]-1-phenylbutan-2-yl}carbamate
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@@H]3[C@@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	GR8	(2as,4r,4as,7as,7bs)-octahydro-2h-1,7-dioxacyclopenta[cd]inden-4-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4cccnc4)N	GR9	3-amino-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-n-pyridin-3-ylpyrazine-2-carboxamide
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O	GRA	glutaryl-coenzyme a
+C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)OP(=O)(O)O	GRB	8-bromoguanosine 5'-(dihydrogen phosphate)
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N	GRC	5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
+CC[C@@H]([C@@H](C(=O)NCCCn1cnc2c1ncnc2N)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3	GRD	benzyl (s)-1-((2s,3s)-1-(3-(6-amino-9h-purin-9-yl)propylamino)-2-hydroxy-1-oxopentan-3-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate
+c1cc(c(c(c1)O)C(=O)O)O	GRE	2,6-dihydroxybenzoic acid
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O	GRF	5-o-phosphono-beta-d-ribofuranosylamine
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C	GRG	geranylgeranyl diphosphate
+C[C@H](c1ccccc1)C(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl	GRH	(2~{r})-~{n}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide
+COc1ccc(c2c1nc3c(cccc3n2)C(=O)O)C=O	GRI	6-formyl-9-methoxyphenazine-1-carboxylic acid
+COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO	GRK	4-methoxy-~{n}-oxidanyl-3-(2-phenylethanoylamino)benzamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)c4ccc(cc4)CO	GRL	(3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl (2s,3s)-3-hydroxy-4-(4-(hydroxymethyl)-n-isobutylphenylsulfonamido)-1-phenylbutan-2-ylcarbamate
+C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc5c(c4)OCO5	GRM	n-(1,3-benzodioxol-5-ylmethyl)-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
+C[C@@](c1ccccc1)(C(=O)O)N	GRN	2-phenyl-l-alanine
+C[C@H](c1ccccc1)C(=O)O	GRO	r-2-phenyl-proprionic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\[C@H]2C[C@@H]([C@H](O[C@@H]2C)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O	GRP	 [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,5s,6r)-3-hydroxy-5-{[(1z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+CC(=CCC/C(=C/C=O)/C)C	GRQ	geranaldehyde
+CCc1ccc(cc1)O[C@@H](Cc2ccccc2)C(=O)O	GRR	(2s)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
+CC(C)C[C@@H](C(=O)NCC(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](Cc2ccccc2)N=[N+]=[N-]	GRT	(2~{s})-~{n}-[2-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{s})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
+Cc1c(n2ccccc2n1)C(=O)NCC(C)C	GRV	2-methyl-~{n}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
+C[C@H]([C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)N=[N+]=[N-])O	GRW	(2~{s})-~{n}-[(2~{s},3~{r})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{r})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C@@H](F)P(=O)(O)O)O)O)O)O	GRX	(1r)-1,5-anhydro-1-[(s)-fluoro(phosphono)methyl]-d-glucitol
+Cc1cc(nc(n1)Nc2ccc(cc2)N)C	GRY	~{n}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
+c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F	GRZ	1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{n}-oxidanyl-1,2,3-triazole-4-carboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)S)O)N=C(NC2=O)N	GS	guanosine-5'-thio-monophosphate
+CC[C@@H]1[C@H](C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C	GS0	bacteriochlorophyll a isomer
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O	GS1	1-thio-beta-d-glucopyranose
+CNC(=O)c1c(cccc1F)Nc2c3cc[nH]c3nc(n2)Nc4cc5c(ccn5C(=O)CN(C)C)cc4OC	GS2	2-[(2-{[1-(n,n-dimethylglycyl)-5-methoxy-1h-indol-6-yl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-n-methylbenzamide
+CC(C)N1CCN(CC1)c2ccc(c(c2)OC)Nc3nc4c(cc[nH]4)c(n3)Nc5cccc(c5C(=O)N)F	GS3	2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O	GS4	4-thio-beta-d-glucopyranose
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4s3)Cl	GS5	5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4ccc(cc4s3)Cl	GS6	6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide
+COc1cc(ccc1Nc2nc3c(cc[nH]3)c(n2)Nc4cccc(c4C(=O)N)F)CS(=O)(=O)C	GS7	2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
+C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GS8	s-hydroxy-glutathione
+c1ccc2cc(ccc2c1)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	GS9	naphthalen-2-yl 1-thio-beta-d-galactopyranoside
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)OS(=O)(=O)O)O	GSA	o4-sulfonylgalactose
+c1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GSB	s-benzyl-glutathione
+CCS[C@@H](C(=O)O)N	GSC	2-ethylthio glycine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O	GSD	4-thio-d-glucose
+C([C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O)O	GSE	l-alpha-glycerophosphorylserine
+C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GSF	l-gamma-glutamyl-3-sulfino-l-alanylglycine
+CCc1ccccc1NC(=O)Oc2ccc3c(c2)[C@]4(CC[N@+]([C@@H]4[N@]3C)(C)[O-])C	GSG	1s,3as,8as-trimethyl-1-oxido-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl 2-ethylphenylcarbamate
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GSH	glutathione
+CN(C)Cc1nccn1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl	GSI	2-(5-chlorothiophen-2-yl)-n-[(3s)-1-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide
+CC(C)N(CCNS(=O)(=O)C)C(=O)[C@H](C)N1CC[C@@H](C1=O)NS(=O)(=O)c2ccc3cc(ccc3c2)Cl	GSJ	1-pyrrolidineacetamide, 3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-alpha-methyl-n-(1-methylethyl)-n-[2-[(methylsulfonyl)amino]ethyl]-2-oxo-, (alphas,3s)-
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl	GSK	6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-(4-morpholinyl)-2-oxo ethyl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide
+CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O	GSL	(2s,3r)-3-hydroxy-2-(tetradecanoylamino)octadecyl alpha-d-galactopyranosiduronic acid
+CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GSM	l-gamma-glutamyl-s-methylcysteinylglycine
+C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N	GSN	2-amino-5-[1-(carboxylatomethylcarbamoyl)-2-nitrososulfanyl-ethyl]amino-5-oxo-pentanoate
+c1ccc(cc1)[C@@H](CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O	GSO	l-gamma-glutamyl-s-[(2s)-2-hydroxy-2-phenylethyl]-l-cysteinylglycine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N	GSP	5'-guanosine-diphosphate-monothiophosphate
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4[nH]3)Cl	GSQ	5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-sulfonamide
+c1ccc(cc1)[C@H](CO)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2	GSR	2'-deoxy-n2-(r)styrene oxide guanosine monophosphate
+c1ccc(cc1)[C@@H](CO)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2	GSS	2'-deoxy-n2-(s)styrene oxide guanosine monophosphate
+CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C	GST	geranyl s-thiolodiphosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N	GSU	o5'-(l-glutamyl-sulfamoyl)-adenosine
+CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl	GSV	2-(5-chlorothiophen-2-yl)-n-{(3s)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@H](C(=O)O)N	GSW	d-gamma-glutamyl-l-cysteinylglycine
+C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc(s3)c4ccc(s4)Cl	GSX	5'-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-2,2'-bithiophene-5-sulfonamide
+C(CO)n1c2c(nc1S)N=C(NC2=O)N	GSY	7-(2-hydroxyethyl)-8-mercaptoguanine
+CC(C)C(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3	GSZ	n-[(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide
+Cc1c(c(c(cn1)CO)COC)O	GT0	5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)COC)O	GT1	[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+c1cc(c(cc1C(=O)NO)NC(=O)c2ccc(cc2Cl)Cl)Cl	GT2	4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{n}-oxidanyl-benzamide
+C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)O	GT3	2-(2-azanyl-6-oxidanylidene-1h-purin-9-yl)-n-[(2r,3r)-1,3-bis(oxidanyl)butan-2-yl]ethanamide
+COCC(=O)Nc1ccc(cc1)O	GT4	~{n}-(4-hydroxyphenyl)-2-methoxy-ethanamide
+Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](COC)C(=O)N[C@H](CCS(=O)(=O)C)Cc2ccc(cc2)CN	GT5	~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
+CC[C@@H](C(=O)N1C[C@H](C[C@H]1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)F)O)NC(=O)[C@H](C)NC	GT6	(2s,2's)-n,n'-[(6,6'-difluoro-1h,1'h-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2r,4s)-4-hydroxypyrrolidine-2,1-diyl][(2s)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide]
+C1CCC(CC1)NC(=O)CC#N	GT7	2-cyano-~{n}-cyclohexyl-ethanamide
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CCC2CCCCC2)[C@H](C(C)(C)O)O)NC(=O)CN3CCOCC3	GT8	(2~{s})-~{n}-[(3~{s},4~{r})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+CCCCCCCCCSC[C@@H](C(=O)O)N	GT9	s-nonyl-cysteine
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	GTA	p1-7-methylguanosine-p3-adenosine-5',5'-triphosphate
+c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	GTB	s-(p-nitrobenzyl)glutathione
+C1CC[C@H]([C@H](C1)C2=NNC(=S)N2)C(=O)O	GTC	(1r,2s)-2-(5-thioxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid
+C1=C(C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]	GTD	1-(s-glutathionyl)-2,4,6-trinitrocyclohexa-2,5-diene
+[OH]	GTE	glucose 4-o4 group
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F	GTF	2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate)
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O	GTG	7-methyl-guanosine-5'-triphosphate-5'-guanosine
+C[C@H]([C@@H](C(=O)O)N)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C	GTH	3-o-glucopyranosyl-threonine-[2-deoxy-2-acetamido-glucopyranoside]
+c1ccc(cc1)c2nc(sn2)N3CCNCC3	GTI	1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine
+CCCn1c2ccccc2nc1NC(=O)CC	GTJ	~{n}-(1-propylbenzimidazol-2-yl)propanamide
+[C@H]1([C@H]([C@@H](O[C@H]1[C@@H](C(=O)O)O)O)O)O	GTK	beta-d-galactofuranuronic acid
+C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1)O)O)O)O	GTL	(2e,3r,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-piperidinone
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O	GTM	methyl 4-thio-beta-d-glucopyranoside
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N	GTN	phosphoaminophosphonic acid guanylate ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N	GTO	phosphomethylphosphonic acid-guanylate ester
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N	GTP	guanosine-5'-triphosphate
+c1cc(c(cc1O)C(=O)O)O	GTQ	2,5-dihydroxybenzoic acid
+[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O	GTR	beta-d-galactopyranuronic acid
+C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	GTS	glutathione sulfonic acid
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+]	GTT	glutathione
+CC#C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	GTU	n-[3-[(4r)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+Cc1cc(c2c(c1)OC(=O)C=C2CP(=O)(O)O)C	GTV	[(5,7-dimethyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CCS(=O)(=O)C)Cc3ccc(cc3)CN	GTW	~{n}-[(2~{s})-1-[[(2~{s})-1-[[(2~{s})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
+CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+]	GTX	s-hexylglutathione
+CCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GTY	l-gamma-glutamyl-s-octyl-d-cysteinylglycine
+C([C@@H]1[C@@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O	GTZ	(5r, 6s, 7s, 8s)-5-hydroxymethyl-6,7,8-trihydroxy-tetrazolo[1,5-a]piperidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O-]	GU0	2,3,6-tri-o-sulfonato-beta-d-glucopyranose
+CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)O)C(=O)O)O	GU1	2,3-di-o-methyl-beta-d-glucopyranuronic acid
+CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(=O)O)O	GU2	2,3-di-o-methyl-alpha-l-idopyranuronic acid
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OS(=O)(=O)O)OC)COS(=O)(=O)O)O	GU3	methyl 3-o-methyl-2,6-di-o-sulfo-alpha-d-glucopyranoside
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	GU4	2,3,4,6-tetra-o-sulfonato-alpha-d-glucopyranose
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)[O-])O	GU5	2,3-di-o-methyl-6-o-sulfonato-alpha-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O	GU6	2,3,6-tri-o-sulfo-alpha-d-glucopyranose
+c1nc2c(n1CCNC(CO)CO)C(=O)NC(=N2)N	GU7	2-amino-7-[2-(2-hydroxy-1-hydroxymethyl-ethylamino)-ethyl]-1,7-dihydro-purin-6-one
+COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)O	GU8	2,3,6-tri-o-methyl-beta-d-glucopyranose
+COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)OC)O	GU9	2,3,6-tri-o-methyl-alpha-d-glucopyranose
+C(CC(=O)O)CC(=O)O	GUA	glutaric acid
+c1ccc(cc1)CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@@H](O4)CO)O)O	GUB	9-alpha-l-lyxofuranosyl-n-(2-phenylethyl)-9h-purin-6-amine
+Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(Cc4c(ccnc4F)C(=N3)N)C)F)C#N	GUC	n-[3-[(3s)-1-azanyl-5-fluoranyl-3-methyl-4h-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	GUD	glucose-uridine-c1,5'-diphosphate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N+]3=C2)C(=O)N=C(N4)N	GUE	5,10-methenyltetrahydrofolate
+[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1F)O)C(=O)O)O)O	GUF	2-deoxy-2-fluoro-beta-d-glucopyranuronic acid
+CC(C)NC(=O)c1ccc2ccccc2n1	GUG	~{n}-propan-2-ylquinoline-2-carboxamide
+O[Mo]1([O+]2[Mo]([O+]3[Mo]245([O+]1[Mo]([O+]4[Mo]6([O+]5[Mo]3(O6)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)O)(O)(O)(O)O)(O)(O)O	GUH	mo6 cluster
+CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl	GUI	5-chloro-n-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n'-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
+Cc1c(c2c(s1)-n3c(nnc3COC2)C)Cc4ccccc4	GUJ	3-benzyl-2,9-dimethyl-4h,6h-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine
+CC(C)Nc1cc(nn2c1ncc2c3ccc4c(c3)c[nH]n4)Cl	GUK	6-chloranyl-3-(2~{h}-indazol-5-yl)-~{n}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine
+C([C@]1([C@H]([C@@H]([C@@H](C(O1)F)O)O)O)F)O	GUL	(2r,3s,4r,5s)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol
+CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)NC(=O)C	GUM	4-methyl-umbelliferyl-n-acetyl-chitobiose
+c1[nH]c2c(n1)C(=O)NC(=N2)N	GUN	guanine
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C/N[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N	GUO	[(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[(e)-[[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+C([C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O	GUP	alpha-l-gulopyranose
+COc1ccccc1C2=C(C(=O)NC2=O)Nc3nc4ccccc4s3	GUQ	3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
+C12C(NC(=O)N1)NC(=O)N2	GUR	glycoluril
+[H]/N=C(\N)/Nc1ccc(c(c1)/C=N/[C@@H](C)C(=O)O)O	GUS	(e)-n-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-l-alanine
+CCN1C=Nc2c(c(c([nH]2)c3ccc(cc3)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C)C1=O	GUT	~{n}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C	GUU	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(methanesulfonyl)propanamide
+Cc1nccc(n1)c2cccc(c2)NC(=O)NC	GUV	1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
+COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C	GUW	~{n}-[3-(4-methoxy-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide
+C(CCCCN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O)CCCN=[N+]=[N-]	GUX	(1~{r},2~{s},3~{r},4~{s},5~{s},6~{r})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid
+CCCn1c(nnn1)NC(=O)c2ccco2	GUY	~{n}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide
+[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1F)O)C(=O)O)O)O	GUZ	2-deoxy-2-fluoro-alpha-d-glucopyranuronic acid
+CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	GV0	golvatinib 
+Cc1c(sc2c1c(ncn2)N(C)C)C	GV1	~{n},~{n},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC6CCOCC6	GV2	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(oxan-4-yl)pyridine-4-carboxamide
+Cc1c(c(n(n1)C)C)NC(=O)CC#N	GV4	2-cyano-~{n}-(1,3,5-trimethylpyrazol-4-yl)ethanamide
+CN(C)c1cccc(c1)c2cc(cc3c2nccn3)Nc4cnccc4S(=O)(=O)C	GV5	8-[3-(dimethylamino)phenyl]-~{n}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine
+CC[C@H](C)[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	GV6	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2s,3s)-2-azanyl-3-methyl-pentanoate
+Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)O	GV7	4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol
+Cc1coc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5S(=O)(=O)C	GV8	8-(3-methyl-1-benzofuran-5-yl)-~{n}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine
+CC(=O)Nc1ccsc1C(=O)O	GV9	3-(acetylamino)thiophene-2-carboxylic acid
+[H]/N=C(/N)\NCCCCC(=O)O	GVA	5-{[amino(imino)methyl]amino}pentanoic acid
+Cc1cccc(c1)[C@@H]2C[N@@](CC[C@@H]2N)c3ccc(c(c3)OC)OC	GVB	(3r,4s)-1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine
+Cc1nc(nn1c2cc(cc(c2)Cl)Cl)C(=O)O	GVC	1-(3,5-dichlorophenyl)-5-methyl-1h-1,2,4-triazole-3-carboxylic acid
+c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)CC#N)Nc4cc([nH]n4)C5CC5	GVD	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile
+COC(=O)CCCN	GVE	methyl 4-aminobutanoate
+c1cc(c(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	GVF	benzene-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]
+Cc1c(c[nH]n1)c2ccccc2	GVG	3-methyl-4-phenyl-1h-pyrazole
+c1cc2cc[nH]c2nc1	GVH	1h-pyrrolo[2,3-b]pyridine
+CNCc1ccc(cc1)c2c3c([nH]cn3)ncn2	GVI	n-methyl-1-[4-(9h-purin-6-yl)phenyl]methanamine
+c1ccc(cc1)[C@@H](c2ccc(cc2)c3c4c([nH]cn4)ncn3)N	GVJ	(s)-1-phenyl-1-[4-(9h-purin-6-yl)phenyl]methanamine
+c1cc(ccc1c2c3c([nH]cn3)ncn2)C4(CCNCC4)c5ccc(cc5)Cl	GVK	6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9h-purine
+CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)N)O	GVL	o-[(r)-{[(3r)-4-amino-3-hydroxy-2,2-dimethyl-4-oxobutyl]oxy}(hydroxy)phosphoryl]-l-serine
+CC(C)(C)C[C@H](CC(=O)O)O	GVM	(3r)-3-hydroxy-5,5-dimethylhexanoic acid
+c1cc(ccc1c2c[nH]nc2)[C@@H](CN)c3ccc(cc3)Cl	GVN	(2r)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine
+c1cc(ccc1c2c[nH]nc2)[C@H](CN)c3ccc(cc3)Cl	GVO	(2s)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine
+c1cc(ccc1c2c[nH]nc2)C3(CCNCC3)c4ccc(cc4)Cl	GVP	4-(4-chlorophenyl)-4-[4-(1h-pyrazol-4-yl)phenyl]piperidine
+c1ccc(cc1)[C@@H](CN)c2ccc(cc2)Cl	GVQ	(2r)-2-(4-chlorophenyl)-2-phenylethanamine
+c1ccc2cc(ccc2c1)C[C@H](C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3	GVR	(2r)-n-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide
+CCOC(=O)CC1(COC1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3	GVS	ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2h)-yl]oxetan-3-yl}acetate
+CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	GVT	3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol
+CCCC[C@]1(CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(\C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C)OC(=O)CCC(=O)O	GVU	(2e,4s,5s,6e,8e)-10-[(2s,3r,6s,8r,9s)-3-butyl-9-methyl-2-[(1e,3e)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid
+CCC(=O)Nc1ccc(cc1O)C	GVV	~{n}-(4-methyl-2-oxidanyl-phenyl)propanamide
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CC2CC[C@@H]3CCCC[C@H]3C2)[C@H](C(C)(C)O)O)NC(=O)CN4CCOCC4	GVW	(2~{s})-~{n}-[(2~{s},3~{r})-1-[(4~{a}~{s},8~{a}~{s})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	GVX	l-gamma-glutamyl-s-[(2-phenylethyl)carbamothioyl]-l-cysteinylglycine
+c1cc(ccc1c2nnc(s2)N)O	GVY	4-(5-amino-1,3,4-thiadiazol-2-yl)phenol
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](C[C@@H]2CCC[C@H]3[C@H]2CCCC3)[C@H](C(C)(C)O)O)NC(=O)CN4CCOCC4	GVZ	(2~{s})-~{n}-[(2~{s},3~{r})-1-[(1~{s},4~{a}~{s},8~{a}~{r})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(c(c3)F)C(F)(F)F)C	GW0	{4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid
+Cn1c(c(cn1)Cl)C(=O)N2CCCCC2	GW1	(4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone
+C[C@H](CO)[C@@H]([C@H](C[C@@H]1CCC[C@H]2[C@H]1CCCC2)NC(=O)[C@H](Cc3ccc(cc3)OC)NC(=O)[C@H](C)NC(=O)CN4CCOCC4)O	GW2	(2~{s})-~{n}-[(2~{s},3~{s},4~{r})-1-[(1~{s},4~{a}~{s},8~{a}~{r})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)N	GW3	7-(1-ethyl-propyl)-7h-pyrrolo-[3,2-f]quinazoline-1,3-diamine
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](CNC(=O)C)Nc4ccccc4C(=O)c5ccccc5	GW4	n-[(2s)-2-[(2-benzoylphenyl)amino]-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propyl]acetamide
+CC/C(=C(\c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O)/c3ccccc3	GW5	(2e)-3-{4-[(1e)-1,2-diphenylbut-1-enyl]phenyl}acrylic acid
+C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F	GW6	(6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate
+CCc1cc2c(s1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cccc(c4)F	GW7	n-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine
+CN1CCN(CC1)C(=O)c2cccc(c2)NC(=O)Nc3ccc(cc3)N(C)c4ccnc(n4)Nc5ccc(cc5)CS(=O)(=O)C	GW8	1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea
+c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]	GW9	2-chloro-5-nitro-n-phenylbenzamide
+CC(=O)Nc1cccc(c1)NC(=O)COC	GWA	~{n}-(3-acetamidophenyl)-2-methoxy-ethanamide
+CC(C)C1=C(c2cc(ccc2NC1=O)F)OC#CC3CC3	GWB	4-[(cyclopropylethynyl)oxy]-6-fluoro-3-isopropylquinolin-2(1h)-one
+c1cc2c(cc1I)/C(=C\c3cc(c(c(c3)Br)O)Br)/C(=O)N2	GWD	(3e)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2h-indol-2-one
+Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)F)C(F)(F)F)Cl)S(N)(O)O	GWE	n-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide
+c1ccc(c(c1)c2c(c(on2)C3CC3)COC4C[C@H]5CC[C@@H](C4)N5c6nc7c(cc(cc7s6)C(=O)O)F)OC(F)(F)F	GWF	tropifexor
+Cn1c2ccccc2c(n1)C(=O)N	GWG	1-methylindazole-3-carboxamide
+C[C@H](c1cc(ccc1N2NC=CN2)F)Oc3cc(cnc3N)c4cccc(c4)S(=O)(=O)C	GWH	3-{(1r)-1-[2-(1,3-dihydro-2h-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine
+CCC(=O)NS(=O)(=O)c1ccc(c(c1)C)NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl	GWI	n-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide
+Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl)S(=O)(=O)N	GWJ	2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-n-(2-methyl-4-sulfamoylphenyl)acetamide
+CC1CCC(CC1)C[C@@H]([C@H](C(C)(C)O)O)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@H](C)NC(=O)CN3CCOCC3	GWK	(2~{s})-3-(4-methoxyphenyl)-~{n}-[(2~{s},3~{r})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)N	GWL	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide
+Cc1ccc(cc1)OP(=O)(O)O	GWM	(4-methylphenyl) dihydrogen phosphate
+O[Mo]12(O[Mo]34([O+]1[Mo]567([O+]2[Mo]8(O5)([O+]6[Mo]912([O+]8[Mo]5([O+]9[Mo]6(O5)([O+]1[Mo]([O+]73)(O4)(O6)(O2)O)(O)O)(O)(O)O)O)(O)O)O)(O)O)(O)O	GWN	mo8 cluster
+c1ccc(cc1)C[C@H](C[C@H]([C@H](Cc2ccccc2)N)O)C(=O)O	GWO	(2r,4r,5s)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid
+c1c(nc([nH]1)C2CC2)C(=O)N	GWP	2-cyclopropyl-1~{h}-imidazole-4-carboxamide
+c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Ru-4]456([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1c1c2nc2ccc(cc2n1)C#N	GWQ	ruthenium (bis-(phenanthroline)) (11-cyano-dipyridophenazine)
+CN1c2c(n(c(n2)Oc3cccc(c3)Cl)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO	GWR	8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione
+c1cc(cnc1)NC(=O)CC2CCCCC2	GWS	2-cyclohexyl-~{n}-pyridin-3-yl-ethanamide
+C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CC2CCC(CC2)C3CCCCC3)[C@H](C(C)(C)O)O)NC(=O)C[NH+]4CCOCC4	GWT	(2~{s})-~{n}-[(2~{s},3~{r})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{s})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide
+CC(C)NCc1ccc(cc1)N(C)C	GWV	~{n},~{n}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
+O[Mo](O)(O)(O)O	GWW	pentakis(oxidanyl)molybdenum
+C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@@H](CC3CCCCC3)NC(=O)N[C@@H](CCCCN)C(=O)O	GWX	(2s)-6-amino-2-[[(1r)-1-(cyclohexylmethyl)-2-oxo-2-[[(2s)-1,7,7-trimethylnorbornan-2-yl]amino]ethyl]arbamoylamino]hexanoic acid
+CN(C[C@@H]1CCOC1)c2c(cncn2)Cl	GWY	5-chloranyl-~{n}-methyl-~{n}-[[(3~{s})-oxolan-3-yl]methyl]pyrimidin-4-amine
+CC(C)C[C@@H]([C@H](C(C)(C)O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3	GWZ	(2~{s})-~{n}-[(2~{s})-1-[[(3~{r},4~{s})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{s})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide
+c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)CN4CCCC4	GX0	1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(NCCS)O)O)N=C(NC2=O)N	GX1	2'-deoxy-5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine
+O[Mo]12O[Mo]345O[Mo]6(O3)(O[Mo]78(O1)O[Mo]9(O7)(O[Mo]13(O2)O[Mo](O1)(O4)(O[Mo]124(O[Mo]7(O[Mo]%10(O6)(O[Mo](O8)(O%10)(O[Mo]6(O7)(O9)(O[Mo](O3)(O6)(O1)(O)O)O)(O)O)(O[Mo](O5)(O2)(O4)(O)O)O)O)O)(O)O)(O)O)(O)O	GX2	mo14o47 cluster
+CNc1ncc2c(n1)N(C(=O)C(=C2)c3c(c(cc(c3Cl)OC)OC)Cl)CCCN4CCN(CC4)C(=O)C=C	GX3	6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one
+c1cc(ccc1N2CCN(CC2)C(=O)C3CC3)F	GX4	cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
+CC#C[C@]1(C2(CC(C2)(F)F)COC(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N	GX6	n-[3-[(9s)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+C1CCC(CC1)NC2=CNC(=O)NC2=O	GX7	5-(cyclohexylamino)pyrimidine-2,4(1h,3h)-dione
+COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2ccc(c(c2)OCc3ccccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC	GX8	2-[[4-[2-hydroxy-2-oxoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-phenylmethoxy-phenyl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid
+Cn1cc(nc1)c2ccc(c(c2)C(=O)N)OC3CCN(CC3)C(=O)Cc4ccc(cc4)OC(F)(F)F	GXA	5-(1-methyl-1h-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide
+CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O	GXB	sialylated precision glycomacromolecule
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(=O)NC(=O)C	GXC	n-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide
+c1cc(c(c(c1)Cl)C(=O)CC(=O)C(=O)O)Cl	GXD	4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid
+c1ccc(cc1)[SeH]	GXE	benzeneselenol
+c1cc(c(c(c1)F)C(=O)CC(=O)C(=O)O)F	GXG	4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid
+COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)NNc4ccccc4)c5ccc(cc5)F)OC	GXH	3-(2,5-dimethoxyphenyl)-~{n}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)O	GXJ	(2r)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid
+c1cc2c(cc1c3cnc4n3nc(cc4NCC5CC5)Cl)c[nH]n2	GXK	6-chloranyl-~{n}-(cyclopropylmethyl)-3-(2~{h}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
+C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O	GXL	alpha-l-galactopyranose
+c1ccc(c(c1)C(=O)/C=C(/C(=O)O)\O)[N+](=O)[O-]	GXM	(2z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid
+COc1cc(cc(c1OC)Br)CN2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N	GXN	[2-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-1~{h}-isoquinolin-6-yl] sulfamate
+CC[C@@H]1C[C@@H](CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O)(=O)C6(CC6)C)C	GXO	[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{n}-[(1~{s},4~{r},6~{s},7~{z},11~{r},13~{r},14~{s},18~{r})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
+C([C@@H](C=O)O)C(=O)C(=O)O	GXP	(4s)-4-hydroxy-2,5-dioxopentanoic acid
+C1CC(CCC1NCCCN)NCCCN	GXQ	n,n'-bis(3-aminopropyl)-1,4-cyclohexanediamine
+C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C	GXR	(8~{s},9~{r},10~{s},11~{s},13~{s},14~{s},16~{s},17~{r})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
+C([C@H](C=O)O)C(=O)C(=O)O	GXS	(4r)-4-hydroxy-2,5-dioxopentanoic acid
+C(=O)C=O	GXT	ethanedial
+Cc1n(c2c([n+]1Cc3cnccn3)C(=O)c4ccccc4C2=O)CCOC	GXU	1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione
+C([C@@H](C=O)O)O	GXV	l-glyceraldehyde
+[O][W]1234O[Cu]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	GXW	cu(ii)-substituted wells-dawson
+COc1cc(c(cc1Br)OC)N	GXY	4-bromo-2,5-dimethoxyaniline
+[O][W]1234O[Ni]56O[W]78(O1)(O2P91O2[W]%10%11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	GXZ	ni(ii)-substituted wells-dawson
+C[C@H](CCC/C=C/[C@@H](CC(=O)SCCC(=O)OC)O)O	GY0	methyl 3-[(e,3r,9r)-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate
+CCc1cc(cc(c1C2C(=O)N3CCOCCN3C2=O)C=C)C	GY3	8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7h-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8h)-dione
+c1cc(ccc1CC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O)Cl	GY4	2-{(2s)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
+COCCNC(=O)C1=C(C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3)O	GY5	5-hydroxy-n-(2-methoxyethyl)-6-oxo-2-[(2s)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4Cl)Cl)O	GY6	2-[(2s)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4F)F)O	GY7	2-[(2s)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
+c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)c5c(cncc5Cl)Cl)O	GY8	2-[(2s)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-n-(2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide
+c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O	GY9	2-{(2s)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide
+COc1cc2c(cc1OC)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O	GYA	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-(5,6-dimethoxy-2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide
+C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(c(c4)Br)N)OCO3	GYB	(8r)-5-(4-amino-3-bromophenyl)-n,8-dimethyl-8,9-dihydro-2h,7h-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)O	GYC	[(4z)-2-[(1r)-1-amino-2-mercaptoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+[H]/N=C(\N)/NCCC[C@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@@H](CC(=O)N)NC(=O)Cc1ccc(cc1O)O)N	GYD	n~1~-{5-[(3-{[3-(d-arginylamino)propyl]amino}propyl)amino]pentyl}-n~2~-[(2,4-dihydroxyphenyl)acetyl]-d-aspartamide
+C[C@H]([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O	GYE	beta-d-fucofuranose
+COC(=O)CCS	GYF	methyl 3-sulfanylpropanoate
+[H]/N=C(/N)\N[C@H]1C[C@H](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)S(=O)(=O)O	GYG	(1r)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-d-glycero-d-galacto-octitol
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C(C)C	GYI	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(propane-2-sulfonyl)propanamide
+C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(cc4)N)OCO3	GYK	(8r)-5-(4-aminophenyl)-n,8-dimethyl-8,9-dihydro-2h,7h-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide
+CCC(=O)Nc1cccc(c1)c2nc([nH]n2)NCc3c(cccc3Cl)F	GYL	n-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1h-1,2,4-triazol-3-yl)phenyl]propanamide
+CCCCCCCCCCCCCC(=O)OC[C@H](CO)O	GYM	(2r)-2,3-dihydroxypropyl tetradecanoate
+C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@H]3C(=C(CC[C@@]34CCCN=C4CC\C=C(\[C@@H]1O2)/C)[C@@H]5C[C@@H](C(=O)O5)C)C)/C)O	GYN	gymnodimine a
+COc1ccccc1[C@@H]2C[C@@H]2NC(=O)c3ccc4c(c3)[nH]cn4	GYO	~{n}-[(1~{s},2~{s})-2-(2-methoxyphenyl)cyclopropyl]-3~{h}-benzimidazole-5-carboxamide
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	GYP	methyl alpha-d-glucopyranoside
+c1c2c(nc(n1)/N=C/3\C=CC=NC3=O)N(C(=O)N2)C4CCC(CC4)CC#N	GYQ	2-[4-[8-oxidanylidene-2-[(~{e})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{h}-purin-9-yl]cyclohexyl]ethanenitrile
+Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCC[C@@H]3CO)CS(=O)(=O)c4ccccc4	GYR	{(2r)-1-[4-({3-methyl-5-[(phenylsulfonyl)methyl]phenoxy}methyl)benzyl]pyrrolidin-2-yl}methanol
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O	GYS	[(4z)-2-(1-amino-2-hydroxyethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)NCCCOCCOCCOCCCNC(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)O	GYT	bis-(2-acetamido-2-deoxy-alpha-d-glucopyranosyloxycarbonyl)-4,7,10-trioxa-1,13-tridecanediamine
+CCCNC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C	GYU	2-acetamido-2-deoxy-1-o-(propylcarbamoyl)-alpha-d-glucopyranose
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)N)CO)O)O	GYV	2-acetamido-1-o-carbamoyl-2-deoxy-alpha-d-glucopyranose
+c1cc2ncc(n2cc1C#N)c3ncc4c(n3)N(C(=O)N4CCO)C5CCOCC5	GYW	3-[7-(2-hydroxyethyl)-9-(oxan-4-yl)-8-oxidanylidene-purin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
+C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)NC(=O)C	GYX	n-[(3-acetamidophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
+c1ccc2c(c1)cccc2CC(=O)NCCCNCCCCNCCCN	GYY	n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2-(naphthalen-1-yl)acetamide
+C[C@H]1[C@H]([C@H]([C@@H](/C(=N/OC(=O)Nc2ccccc2)/O1)O)O)O	GYZ	[(~{z})-[(3~{s},4~{r},5~{s},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{n}-phenylcarbamate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)[C@H](CO)O)O)O)O)O)O)NC(=NC2=O)N	GZ0	[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s},5~{s},6~{s})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
+C1CC(=CC(=O)C1)Nc2[nH]nnn2	GZ2	3-(1h-tetrazol-5-ylamino)cyclohex-2-en-1-one
+C/C(=C\P(=O)(O)O)/C(=O)O	GZ3	(e)-2-methyl-3-phosphonoacrylate
+Cc1cc2c(cc1C)[n+](c3c(n2)C(=O)NC(=O)N3)CCCc4ccccc4	GZ4	7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N	GZ5	(2~{r})-2-azanyl-~{n}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{h}-indol-3-yl)propanamide
+C(=[NH2+])(N)N	GZ6	guanidinium
+Cc1cc2c(cc1NC3CCCC3)[n+](c4c(n2)c(nc(n4)O)O)CCCCCCC(=O)O	GZ7	10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium
+C1=CC(=S)C=C(C1C(=O)O)C(=O)O	GZ8	4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid
+Cc1c(ccc2c1CCCO2)c3c(nc(c(c3[C@@H](C(=O)O)OC(C)(C)C)C)NC(=O)NC4CCCCC4)C	GZ9	(2s)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2h-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+c1ccc(cc1)Cn2cc(cn2)OC3=Nc4cnccc4C(=O)N3	GZA	2-[(1-benzyl-1h-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3h)-one
+c1ccc(cc1)C(=O)NCC(=O)O	GZB	2-benzamidoethanoic acid
+[H]/N=C(\Nc1cc(c(cc1)O)/C=N/CC/N=C/c2c(ccc(c2)N/C(=N/[H])/N)O)/N	GZC	n,n'''-{ethane-1,2-diylbis[nitrilo(e)methylylidene(4-hydroxybenzene-3,1-diyl)]}diguanidine
+C[N+](C)(C)CCCCCNCC12CC3CC(C1)CC(C3)C2	GZD	n,n,n-trimethyl-5-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)pentan-1-aminium
+c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)OS(=O)(=O)N	GZE	[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate
+c1nc2c(n1[C@@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=S)(O)O)O)O)nc(nc2O)N	GZF	[(2r,3r,4s,5s)-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl bis(oxidanyl)phosphinothioyl hydrogen phosphate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCN(CCCC(=O)O)Cc4ccccc4	GZG	4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)ethyl]amino}butanoic acid
+c1cc(ccc1CCNC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)S(=O)(=O)N	GZH	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
+CC[C@@H](C(=O)O)NC(=O)C	GZJ	(2s)-2-(acetylamino)butanoic acid
+c1cc(c(cc1CN2C=Nc3c(cnn3[C@@H]4CCS(=O)(=O)C4)C2=O)Cl)Cl	GZK	1-[(3~{r})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
+C(C([C@H]1C(C([C@@H](O1)O)O)O)O)O	GZL	beta-d-galactofuranose
+CCNC(=O)C1(CCN(CC1)C(=O)COC)Cc2ccc(cc2)c3cc(cc(c3)Cl)Cl	GZM	4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-n-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(c(c4)Cl)Cl	GZN	2-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
+CN(c1c(nc(nc1N)c2c3cccnc3n(n2)Cc4ccccc4F)N)C(=O)OC	GZO	methyl ~{n}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{n}-methyl-carbamate
+c1ccc(cc1)c2cc(n[nH]2)C3(CCCC3)O	GZP	1-(3-phenyl-1h-pyrazol-5-yl)cyclopentanol
+CC(=O)N(C)c1ccc(cc1Cl)Cl	GZQ	~{n}-(2,4-dichlorophenyl)-~{n}-methyl-ethanamide
+Cc1cn(cn1)c2ccc(cc2OC)C=C3CCCN(C3=O)[C@@H](C)c4ccc(cc4)F	GZR	1-[(1s)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
+CNC(=O)C1=CC=CN(C1=O)Cc2ccc3c(c2)OC(O3)(F)F	GZT	1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{n}-methyl-2-oxidanylidene-pyridine-3-carboxamide
+Cc1ccc(c(c1F)C(=O)C=C(C(=O)O)O)F	GZV	(2z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cc(nc3)C4CCNCC4)Cc5ccc(c(c5)Cl)Cl	GZW	2-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide
+Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)N2)O)(C)C)C)O)C)C	GZX	(1~{s},3~{s},7~{s},10~{r},11~{s},12~{s},16~{r})-8,8,10,12,16-pentamethyl-3-[(~{e})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
+CC(=O)N1CCC[C@H]1c2cccc(c2)OC	GZY	1-[(2s)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethan-1-one
+[H]/N=C(/N)\NCCCCCCCCNCCCCCCCCN/C(=N/[H])/N	GZZ	n-{8-[(8-{[(e)-amino(imino)methyl]amino}octyl)amino]octyl}guanidine
+[H+]	H	etnam h hydrogen atom
+C(CC(=O)O)CS	H00	4-sulfanylbutanoic acid
+Cc1c\2[nH]c(c1CCC(=O)O)\C=C/3\C(=C(/C(=C/c4c(c(c([nH]4)C=C5C(=C(/C(=C2)/N5)S(=O)(=O)O)C)S(=O)(=O)O)C)/N3)C)CCC(=O)O	H01	protoporphyrin ix 2,4-disulfonic acid
+CCc1c(c\2[nH]c1C=C3C(=C(C(=Cc4c(c(c([nH]4)C=C5C(=C(/C(=C2)/N5)C)CCC(=O)O)CCC(=O)O)C)N3C)CC)C)C	H02	n-methyl protoporphyrin ix 2,4-disulfonic acid
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)N(C)C	H03	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-n-(dimethylsulfamoyl)propanamide
+CCOc1ccccc1N2CCNCC2	H04	1-(2-ethoxyphenyl)piperazine
+CCCc1nc2ccccc2c3n1nc(n3)N	H05	5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
+[H]/N=C(/c1ccc(cc1)/C=N/NC(=O)c2cccnc2)\N	H06	(e)-4-((2-nicotinoylhydrazono)methyl)benzimidamide
+CO[C@@H]1[C@H]2[C@@H](COP(=O)(O2)O)O[C@H]1n3c4c(c(ncn4)N)nc3Sc5ccc(cc5)Cl	H07	(2s,4ar,6r,7r,7ar)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]-9h-purin-9-yl}-7-methoxytetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-2-ol 2-oxide
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(cc4)Cl	H08	2-[(4-chlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
+CC(=O)N1CCC=CC[C@H]1c2ccc(cc2)OC	H0A	1-[(2s)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1h-azepin-1-yl]ethan-1-one
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2nccc3)Cc4ccc(c(c4)Cl)Cl	H0B	6-[(3,4-dichlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)OC(=O)c7c8ccccc8cc9c7cccc9)O	H0C	[(2~{r},3~{r},4~{r},5~{s},6~{s})-2-[[(1~{r},3~{s},5~{s},8~{r},9~{s},10~{r},11~{r},13~{r},14~{s},17~{r})-10-(hydroxymethyl)-13-methyl-1,5,11,14-tetrakis(oxidanyl)-17-(5-oxidanylidene-2~{h}-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{h}-cyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-3,5-bis(oxidanyl)oxan-4-yl] anthracene-9-carboxylate
+CC[C@H](CO)NC(=O)Nc1ccc(cc1)Cl	H0D	n-(4-chlorophenyl)-n'-[(2r)-1-hydroxybutan-2-yl]urea
+CC1(CN=C2[C@H](c3cc(ccc3N2C1)S(=O)(=O)[N@@]4CCC[C@H]4COc5ccccc5)O)C	H0E	(10s)-3,3-dimethyl-8-{[(2s)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol
+Cc1cccc(c1)CC(=O)Nc2ccon2	H0G	2-(3-methylphenyl)-n-(1,2-oxazol-3-yl)acetamide
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccccc4	H0H	~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide
+CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCC(=O)O	H0I	4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid
+c1ccnc(c1)c2ccc(s2)C(=S)N	H0J	5-(pyridin-2-yl)thiophene-2-carbothioamide
+c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5cc(ccc5C4)CO	H0K	4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol
+COc1cc2c(cc1OC)C(=O)[C@H](C2)CC3(CCN(CC3)Cc4ccc(cc4)F)F	H0L	(2r)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
+c1ccnc(c1)NC(=O)Cc2cccc(c2)O	H0M	2-(3-hydroxyphenyl)-n-(pyridin-2-yl)acetamide
+c1cc(c(cc1CN2C=C(c3c(cnn3C4CCNCC4)C2=O)C(=O)Nc5ccncc5)Cl)Cl	H0N	5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{n}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide
+c1cc(cc(c1)O)CC(=O)Nc2cccnc2	H0P	2-(3-hydroxyphenyl)-n-(pyridin-3-yl)acetamide
+Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4cccc(c4)Cl	H0Q	2-[(3-chlorophenyl)methyl]-~{n}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
+COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4ccccc4F)F	H0R	(2s)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
+Cc1ccc(cc1)Nc2c3cn[nH]c3ncn2	H0S	n-(4-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CN1CCN(CC1)S(=O)(=O)c2ccccc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5	H0T	[2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
+Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C)c3ccc(s3)C#N	H0U	~{n}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide
+c1ccc(cc1)CCc2c[nH]c3c2c(nc(n3)N)N	H0V	5-phenethyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cccnc5N6CCC(CC6)N7CCCOC7=O)Cl)c8ccccc8	H0W	6-chloranyl-3-[3-[(1~{s})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{n}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{h}-indole-2-carboxamide
+c1ccc(cc1)C2=CC(=O)NC(=N2)SCC#N	H0X	[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetonitrile
+c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5cccc(n5)C(=O)O	H0Y	6-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]pyridine-2-carboxylic acid
+CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3	H0Z	bicuculline methochloride
+C[C@H](C#Cc1cccc(c1)OC23CC4CC(C2)CC(C4)C3)N(C(=O)N)O	H10	1-hydroxy-1-[(2r)-4-{3-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yloxy]phenyl}but-3-yn-2-yl]urea
+CCC[C@]1(C(=O)N=C(S1)NC2CCCCCCC2)C	H11	(5s)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5h)-one
+CCCC1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3	H12	6-chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1h)-one
+CCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO	H13	n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
+c1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O	H14	(2s,3r)-beta-hydroxy-phenylalanine
+CCCCCCCCCCCCCCC(=O)N[C@H](CC(c1ccccc1)O)CO	H15	n-[(1r,3r)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide
+CCCC1=C(c2cc(ccc2NC1=O)Cl)SC3CCCCC3	H16	6-chloro-4-(cyclohexylsulfanyl)-3-propylquinolin-2(1h)-one
+C=CC(=O)N1CCC[C@@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl	H17	2-{3-[(2r)-1-acryloylpyrrolidin-2-yl]phenyl}-n-(3-chlorophenyl)acetamide
+CCCC1=C(c2cc(ccc2NC1=O)Cl)[S@](=O)C3CCCCC3	H18	6-chloro-4-(cyclohexylsulfinyl)-3-propylquinolin-2(1h)-one
+c1cc2c(cc1Cl)nc3c(c2N)[C@@H]4C[C@H](C3)CC(=C4)CC[NH3+]	H19	huprine 19
+CCC(CC)C(=O)Nc1ccccc1O	H1A	2-ethyl-n-(2-hydroxyphenyl)butanamide
+CCN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F	H1B	n'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
+CCCCc1ccc2c(c1)nc([nH]2)NC(=O)OC	H1C	methyl ~{n}-(5-butyl-1~{h}-benzimidazol-2-yl)carbamate
+C(CSC[C@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N	H1D	(2s)-2-amino-4-[(2r,3s)-2,3-dihydroxy-3-n-hydroxycarbamoyl-propylmercapto]butyric acid
+COc1cc(cc(c1OC)OC)C2CC(=NN2C(=S)N)c3ccccc3	H1F	5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide
+COc1ccc(cc1)CC(=O)Nc2cc(cnc2)OCC(=O)N3CCNC(=O)C3	H1G	2-(4-methoxyphenyl)-n-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-3-yl}acetamide
+C[C@@H](c1ccccc1OC)NC(=O)Nc2cc(c(cc2C(=O)O)OC)OCCCC(C)C	H1H	5-methoxy-2-[[(1~{s})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid
+C/C(=N\Nc1nc2ccccc2s1)/c3ccc(o3)c4cccc(c4)S(=O)(=O)NC(=O)CCCCCc5ccccc5	H1I	n-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide
+c1cc(cc(c1)Cl)NC(=O)Cc2ccc(cc2)F	H1J	n-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide
+COc1cc(c(cc1NC(=O)Nc2cnccn2)Cl)OC	H1K	1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl	H1L	(2r)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)CCO	H1M	methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-d-mannopyranoside
+CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5	H1N	n-[2-oxo-3-((e)-phenyl{[4-(piperidin-1-ylmethyl)phenyl]imino}methyl)-2,6-dihydro-1h-indol-5-yl]ethanesulfonamide
+Cn1ccc2c1cccc2c3[nH]c4c(cccc4n3)c5cc(c(c(c5)OC)OC)OC	H1O	2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{h}-benzimidazole
+c1ccc(c(c1)c2ccc(cc2)F)N3C=CCC3=O	H1P	1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2h-pyrrol-2-one
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])O)O)N	H1Q	adenosine divanadate
+COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3(CCN(CC3)Cc4cccc(c4)F)F	H1R	(2s)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
+C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])C(=O)[O-]	H1S	heparin disaccharide i-s
+O=[V](O[V]([O])([O])O[V]([O])([O])O[V]([O])O[V]([O])([O])[O])O([V]([O])[O])[V]([O])([O])([O])[O]	H1T	[[[[bis($l^{1}-oxidanyl)-[$l^{1}-oxidanyl-[tris($l^{1}-oxidanyl)vanadiooxy]vanadio]oxy-vanadio]oxy-bis($l^{1}-oxidanyl)vanadio]oxy-oxidanylidene-vanadio]-[bis($l^{1}-oxidanyl)vanadio]-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)vanadium
+c1ccc(cc1)CNCCc2c3ccccc3[nH]c2CNC4CCCCCC4	H1U	n-[[3-[2-[(phenylmethyl)amino]ethyl]-1h-indol-2-yl]methyl]cycloheptanamine
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C	H1V	n,n'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
+O[V](O)(O)(O)O	H1W	pentakis(oxidanyl)vanadium
+Cc1ccc(cc1S(=O)(=O)Nc2ccccc2C(=O)O)C(C)(C)C	H1X	2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid
+c1ccc(cc1)CC(=O)Nc2cccc(c2)Cl	H1Y	n-(3-chlorophenyl)-2-phenylacetamide
+CCCCOc1ccc(cc1)S(=O)(=O)N	H1Z	4-butoxybenzenesulfonamide
+CC(C)C1=C(c2cc(ccc2NC1=O)Cl)OC3CCCCC3	H20	6-chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1h)-one
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)Cn3cnc(n3)NC(=O)c4ccc(s4)Cl	H21	5-chloro-n-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-1h-1,2,4-triazol-3-yl]thiophene-2-carboxamide
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@@]3CC[C@H](C3)NC(=O)c4ccc(s4)Cl	H22	5-chloro-n-[(3r)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
+CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O	H23	(1-hydroxydodecane-1,1-diyl)bis(phosphonic acid)
+C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)c3cccc(c3)OC	H24	(6s)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)O)NC(=O)c4ccc(s4)Cl	H25	5-chloro-thiophene-2-carboxylic acid ((3s,4s)-1-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide
+c1nc2c(n1CCOCCP(=O)(O)O)N=CNC2=O	H26	{2-[2-(6-oxo-1,6-dihydro-9h-purin-9-yl)ethoxy]ethyl}phosphonic acid
+CC(C)[C@H](C(=O)O)N(/C=C/NC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3	H27	(2r)-2-[{(e)-2-[({(2r,3r,4r,5s,6r)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2h-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid
+c1cc(c(c(c1)Cl)F)[C@H]2[C@H]3[C@H](C=NC3=O)N([C@]24c5ccc(cc5NC4=O)Cl)CC6CC6	H28	(3~{s},3'~{r},3'~{a}~{s},6'~{a}~{r})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{h}-indole-3,2'-3~{a},6~{a}-dihydro-3~{h}-pyrrolo[3,4-b]pyrrole]-2,4'-dione
+c1cc(ncc1N)N2CCc3c(ccs3)C2	H29	6-(6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
+CC(=O)OCC1CS[C@@H]2[C@@H](C(=O)N2C1C(=O)[O-])NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+]	H2A	(6r,7r)-3-[(acetyloxy)methyl]-7-{[(6s)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
+C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O	H2B	2-amino-6-(1,2-dihydroxy-propyl)-7,8-dihydro-6h-pteridin-4-one
+c1cc(ccc1CN2c3ccsc3C(=O)CS2(=O)=O)F	H2C	1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one
+CC[C@H](c1ccccc1)C(=O)Nc2ccon2	H2D	(2r)-n-(1,2-oxazol-3-yl)-2-phenylbutanamide
+C[C@H](CN1CCOCC1)Oc2ccc3c(c2)Cc4cccc(c4S3)C5=CC(=O)C=C(O5)N6CCOCC6	H2E	2-morpholin-4-yl-6-[7-[(2~{r})-1-morpholin-4-ylpropan-2-yl]oxy-9~{h}-thioxanthen-4-yl]pyran-4-one
+Cc1ccc(s1)CNC[C@H](C)O	H2G	(2s)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
+C[C@@](CCN1Cc2cc(cn2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C	H2H	(2~{r})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+COc1ccc(cc1)CC(=O)Nc2cccc(c2)Cl	H2J	n-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide
+c1cc(c(cc1Cl)NC(=O)Nc2cnc(cn2)C#N)O[C@@H]3CCNC3	H2K	1-{5-chloro-2-[(3r)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea
+c1ccc2c(c1)c(c[nH]2)CCNS(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4	H2L	1-[3-[2-(1h-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea
+c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O	H2M	1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2h-pyrrol-2-one
+C[C@@](CCN1C=C(OC1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C	H2N	(2~{r})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OP(=O)(O)O	H2P	1-deoxy-2-o-phosphono-alpha-d-gluco-hept-2-ulopyranose
+C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC3(CC3)CO)(C(=O)NO)S(=O)(=O)C	H2Q	(2~{r})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)Nc4cccnc4	H2R	n-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide
+S	H2S	hydrosulfuric acid
+C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	H2U	5,6-dihydrouridine-5'-monophosphate
+CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CN)O	H2V	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate
+c1cc2c(c(c1)F)C=C(NC2=O)c3ccc(cc3)Cl	H2W	3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2h)-one
+C/C(=N\C(C)(C)NCc1cc(ccc1O)Br)/c2cccc(c2)OC	H2X	4-bromanyl-2-[[2-[(e)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol
+COc1ccc(cc1)CC(=O)Nc2cccnc2	H2Y	2-(4-methoxyphenyl)-n-(pyridin-3-yl)acetamide
+C[C@@](CCN1Cc2cc(cn2C1=O)C#Cc3ccc(cc3)CN4CCOCC4)(C(=O)NO)S(=O)(=O)C	H2Z	(2~{r})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{h}-pyrrolo[1,2-c]imidazol-2-yl]-~{n}-oxidanyl-butanamide
+CN1CCCC(=CC1)c2cc3c(cc2OC)C4(CCC4)C(=N3)N	H30	5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine
+Cc1ccc(cc1)c2ccccc2N3CCCC3=O	H31	1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one
+c1cc2c(c(c1)C(=O)O)C(=O)N(C2)c3ccc(c(c3)F)O	H32	2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{h}-isoindole-4-carboxylic acid
+CN1c2c([nH]c(n2)Cl)C(=O)N(C1=O)C	H33	8-chloro-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+c1cc2c(cc1Cl)nc3c(c2N)[C@H]4C[C@@H](C3)C=C(C4)CCCCn5cc(nn5)CO	H34	(1-{4-[(7s,11s)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]butyl}-1h-1,2,3-triazol-4-yl)methanol
+c1cc(oc1)CNc2c3c(nc[nH]3)ncn2	H35	n-(furan-2-ylmethyl)-7h-purin-6-amine
+[H]/N=C(\Nc1cc(ccc1)OCCOc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4	H36	n,n'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)N	H37	d-phenylalanyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-l-phenylalaninamide
+[H]/N=C(\Nc1cc(ccc1)c2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4	H38	n,n'-biphenyl-3,3'-diyldithiophene-2-carboximidamide
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3cc[nH]c3	H39	5-[(2s)-4-methyl-2-{[(1h-pyrrol-3-ylacetyl)amino]methyl}pentyl]-1,3-benzodioxole-4-carboxylic acid
+COc1cccc(c1)CC(=O)Nc2cccc(c2)Cl	H3A	n-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide
+C[Si](C)(C)CCCS(=O)(=O)O	H3B	3-trimethylsilylpropane-1-sulfonic acid
+C[C@]1(C=CSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N	H3C	n-[3-[(4s)-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
+CC(=O)NC1(CCCC1)c2ccc3c(c2)OCCO3	H3D	n-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
+Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cnn(c4)Cc5ccccc5	H3E	5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine
+Cc1cc(nc2c1c(c(cc2N[C@@H](C)CCCN)OC)Oc3cccc(c3)C(F)(F)F)OC	H3F	tafenoquine
+CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2	H3G	(4-tert-butylpiperidin-1-yl)(phenyl)methanone
+CC(C)Oc1cccc(c1)c2coc3c2nc(cc3)c4cnn(c4)C	H3H	5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine
+CC1=C(C(=O)C=C1)Oc2cccnc2	H3J	3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one
+c1cc(c(cc1Br)NC(=O)Nc2cnc(cn2)C#N)N3CCC[C@H](C3)O	H3K	1-{5-bromo-2-[(3r)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea
+C[C@@H](c1ncnn1C)N	H3L	(1s)-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
+CC1=C[C@@H](OC1=O)O	H3M	(5r)-5-hydroxy-3-methylfuran-2(5h)-one
+Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)Oc5ccccc5	H3N	5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine
+c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl	H3P	2,2'-methanediylbis(3,4,6-trichlorophenol)
+Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)C5CCC5	H3Q	3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
+Cc1cc([nH]n1)c2ccccc2	H3R	5-methyl-3-phenyl-1h-pyrazole
+C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)[O-])O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)CO)C(=O)[O-]	H3S	heparin disaccharide iii-s
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC	H3T	phospholipid pg(16:0/cy17:0)
+Cc1ccc(cc1NC(=O)c2cccc(c2)N)C(=O)Nc3ccc(c4c3c(cc(c4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	H3U	8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid
+c1ccc(cc1)CC(=O)Nc2ccon2	H3V	n-(1,2-oxazol-3-yl)-2-phenylacetamide
+CCC(C)(c1ccc(cc1)O)c2ccc(cc2)O	H3W	bisphenol-b
+C[C@H]1CC[C@@H]2[C@@]([C@]13C[C@@]4([C@H]([C@@H](C(=O)C(=C4O3)C)C(=O)OC)C)C)(CCC(=O)OC2(C)C)C	H3X	methyl (3'~{a}~{r},4'~{s},5'~{s},5~{a}~{s},6~{s},7~{s},9~{a}~{r})-1,1,3'~{a},4',5~{a},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{h}-1-benzofuran]-5'-carboxylate
+c1ccc(cc1)[C@H]2C[C@@H]([C@]34CNC[C@H]3C[C@H]2N4)O	H3Y	(3ar,4s,6r,7r,8ar)-6-phenyloctahydro-1h-3a,7-epiminocyclohepta[c]pyrrol-4-ol
+CC(C)c1ccc(cc1)O	H3Z	4-propan-2-ylphenol
+CCN([C@H]1CN(N=C1c2ccc(c(c2)Cl)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO	H41	n-[1-(n'-cyano-n-[3-(difluoromethoxy)phenyl]carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1h-pyrazol-4-yl]-n-ethyl-2-hydroxyacetamide
+c1cc2c(cc1O)CCCC2	H42	5,6,7,8-tetrahydronaphthalen-2-ol
+C[C@H](c1cccc2c1cccc2)N[C@H]3CCN(C3)c4ccc(cc4)CC(=O)O	H43	2-[4-[(3s)-3-[[(1r)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid
+[H]/N=C(/c1cccs1)\Nc2ccc(cc2)CCNCc3cccc(c3)N/C(=N/[H])/c4cccs4	H44	n-(4-{2-[(3-{[(e)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
+[H]/N=C(\c1cccs1)/Nc2cccc(c2)CCNCc3cccc(c3)N/C(=N\[H])/c4cccs4	H45	n-(3-{2-[(3-{[(z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
+CCN(CC)C(=O)[C@H](c1ccccc1)N2CCN(CC2)c3ccc(cc3F)NC(=O)c4ccccc4c5cccnc5	H46	~{n}-[4-[4-[(1~{s})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide
+COc1cccc(c1)CC(=O)Nc2ccon2	H47	2-(3-methoxyphenyl)-n-(1,2-oxazol-3-yl)acetamide
+CC(c1ccc(cc1)O)c2ccc(cc2)O	H48	4-[1-(4-hydroxyphenyl)ethyl]phenol
+c1cc(cc(c1)NC(=N)c2cccs2)CNC[C@@H]3CCCN3	H49	(s)-n-(3-(((pyrrolidin-2-ylmethyl)amino)methyl)phenyl)thiophene-2-carboximidamide
+c1ccc(cc1)[C@H]2C[C@H]([C@]34CNC[C@H]3C[C@H]2N4)O	H4A	(3ar,4r,6r,7r,8ar)-6-phenyloctahydro-1h-3a,7-epiminocyclohepta[c]pyrrol-4-ol
+C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O	H4B	5,6,7,8-tetrahydrobiopterin
+CCc1cc2c(s1)-[n+]3c([nH]nc3CN=C2c4ccccc4Cl)C	H4C	4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
+B(c1cc(cc(c1)NC(=O)Cc2cccs2)C(=O)O)(O)O	H4D	3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid
+CCOC(=O)c1ccc(c(c1)Br)N	H4E	ethyl 4-azanyl-3-bromanyl-benzoate
+c1cc(cnc1)NC(=O)Cc2ccc(cc2F)F	H4G	2-(2,4-difluorophenyl)-n-(pyridin-3-yl)acetamide
+c1cc(c(cc1S(=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)Cl)C#N	H4H	(1~{r},2~{s},4~{s})-~{n}-(3-chloranyl-4-cyano-phenyl)sulfonylbicyclo[2.2.1]heptane-2-carboxamide
+c1ccc2cnc(cc2c1)NC(=O)Nc3cnc(cn3)C#N	H4K	1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea
+C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)CCCO)O	H4L	3-[4-[2-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol
+C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C	H4M	5,10-dimethylene tetrahydromethanopterin
+c1cc2c(cc[nH]2)cc1Br	H4N	5-bromanyl-1~{h}-indole
+C[C@@H](c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO)O	H4O	5-[4-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)NCP(=O)(O)O	H4P	1-deoxy-6-o-phosphono-1-[(phosphonomethyl)amino]-l-threo-hexitol
+CC[C@@H](C)c1ccc(cc1)O	H4Q	4-[(2~{r})-butan-2-yl]phenol
+C[C@@H](c1nccn1Cc2cc(on2)c3ccc(cc3)C#CC4[C@H]5[C@@H]4CN(C5)CCCC(=O)O)O	H4R	4-[(1~{r},5~{s})-6-[2-[4-[3-[[2-[(1~{s})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	H4S	n-[(2s,3s,4r)-3,4-dihydroxy-1-{[(1s,2s,3r,4r,5s)-2,3,4,5-tetrahydroxycyclohexyl]amino}octadecan-2-yl]hexacosanamide
+c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl	H4T	6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone
+CCc1c(c(nc(n1)N)N)OCCCCOc2cccc(c2)CCCc3[nH]nnn3	H4U	6-ethyl-5-(4-{3-[3-(1h-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine
+COc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)I	H4V	methyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(c3)F	H4W	6-{[(3r,4r)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCCC(OC)(C)C)/C)/C)/C)\C)\C)/CCCC(OC)(C)C	H4X	(6~{e},8~{e},10~{e},12~{e},14~{e},16~{e},18~{e},20~{e},22~{e},24~{e},26~{e})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene
+COc1ccc(cc1)c2ccccc2N3CCCC3=O	H4Y	1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one
+CC1[C@@H](N(C2=C(N1)N=C(NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@H]([C@H]([C@H](CO[C@@H]4[C@@H]([C@@H]([C@@H](O4)CO[P@@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O	H4Z	5-(4-{[1-(2-amino-5-formyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)ethyl]amino}phenyl)-5-deoxy-1-o-{5-o-[(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}pentitol
+c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl	H50	1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid
+Cc1cncc2c1c(ccc2)S(=O)(=O)[N@]3CCCNC[C@@H]3C	H52	(s)-2-methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine
+c1cc(c(cc1O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	H53	(1s)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-d-glucitol
+Cc1cccc(c1)CC(=O)Nc2cccnc2	H54	2-(3-methylphenyl)-n-(pyridin-3-yl)acetamide
+[H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N)N	H55	3,5-diamino-n-carbamimidoyl-6-(1-methyl-1h-pyrazol-4-yl)pyrazine-2-carboxamide
+c1cc(ccc1[C@@H]2[C@H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O)O	H56	(3~{r},4~{s})-1-(4-fluorophenyl)-3-[(3~{s})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one
+CC1C(C(C(N1)CCNCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O	H57	(3alpha)-[({2-[(2s,3s,4r,5s)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene
+CC1C(C(C(N1)CCNCCCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O	H58	(3alpha)-[3-({2-[(2s,3s,4r,5s)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene
+CCC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C)F)C3=CS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O	H59	n-{3-[(5s)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-4h-1,4-benzothiazin-7-yl}methanesulfonamide
+COc1cc(cc(c1OC)OC)C(=O)O	H5A	3,4,5-trimethoxybenzoic acid
+c1ccc2c(c1)c(cc(c2O)C(=O)O)Br	H5B	4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid
+CO[C@@H]1[C@@H](C(O[C@H]1n2cnc3c2NC(=O)NC3=O)CO)O	H5C	9-[(2r,3r,4r)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3h-purine-2,6-dione
+CC(=O)N1CCC[C@H]1c2cccc(c2)CC(=O)Nc3cccc(c3)Cl	H5D	2-{3-[(2s)-1-acetylpyrrolidin-2-yl]phenyl}-n-(3-chlorophenyl)acetamide
+CC(C)(C)c1csc(n1)CN2C(=O)C3(CC3)NC2=O	H5E	6-[(4-~{tert}-butyl-1,3-thiazol-2-yl)methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
+C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	H5F	6-azanyl-9-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1h-purin-2-one
+c1cc(cc(c1)O)CC(=O)Nc2cccc(c2)Cl	H5G	n-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)NC)F)F)O	H5H	(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+c1cc2c(cc1N(=O)=O)cno2	H5J	5-nitro-1,2-benzoxazole
+c1cc(cc2c1cc(cc2)NC(=O)Nc3cnc(cn3)C#N)C(=O)O	H5K	6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(c(c4)O)O)O	H5L	s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (e)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enethioate
+C[C@H]1C[C@@H]([C@H](N1)C(=O)O)O	H5M	trans-3-hydroxy-5-methylproline
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N=[N+]=[N-])F)F)O	H5N	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+CO[C@@H]1[C@H]([C@H]([C@H](O[C@H]1S[C@@H]2COC[C@@H]([C@H]2O)n3cc(nn3)c4cncnc4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F	H5O	(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-5-methoxy-6-[(3r,4r,5s)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol
+C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O	H5P	hydantocidin-5'-phosphate
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N)F)F)O	H5Q	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4	H5R	2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine
+Cc1cc(ccc1F)CN2[C@H](C(=C(C2=O)C3=NS(=O)(=O)c4c3ccc5c4CN(CC5)S(=O)(=O)C)O)C(C)(C)C	H5S	(5s)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2h-pyrrol-2-one
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)O)F)F)O	H5T	(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(cc2)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O	H5U	n-({3-[(5s)-5-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide
+C[C@]1([C@@H]([C@H](O[C@H]1n2ccc3c2ncnc3N)CO)O)O	H5V	7-(2-c-methyl-beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCC/C=C/c3cccc(c3)F	H5W	6-{[(3r,4r)-4-{[(3e)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+CCN(CCN(C)C)C(=O)c1cnn(c1c2ccc(cc2)OC)c3cc(ccn3)C(=O)O	H5Y	2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1h-pyrazol-1-yl]pyridine-4-carboxylic acid
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)F)F)F)O	H5Z	(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CCCC[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	H60	(2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]hexanamide
+c1ccc2c(c1)nc(n2CCN3CCCCC3)c4cc5c(s4)c(ccn5)C(=O)O	H61	2-{1-[2-(piperidin-1-yl)ethyl]-1h-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid
+C1[C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)N	H62	(1~{r},2~{r},3~{r},4~{s},6~{s})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid
+CCCC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	H63	(2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]hexanamide
+CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3Br)OCO4	H64	8-(6-bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)C3CCN(CC3)C	H65	4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine
+CC[C@H]1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)C1	H66	2-{[(7s)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-n-[2-(piperidin-1-yl)ethyl]acetamide
+C[C@@H](c1cnn(c1c2cccc(c2)c3ccccc3)c4cc(ccn4)C(=O)O)OCCN5CCCCC5	H67	2-[5-([1,1'-biphenyl]-3-yl)-4-{(1s)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1h-pyrazol-1-yl]pyridine-4-carboxylic acid
+COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC	H68	tetrahydrocolumbamine
+c1cc(c(cc1C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl	H69	6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)c2c(cnn2c3cc(ccn3)C(=O)O)[C@@H](c4ccccc4)OCCN5CCCCC5	H6A	2-(5-phenyl-4-{(r)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1h-pyrazol-1-yl)pyridine-4-carboxylic acid
+CN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@@H]2C(=O)O)O)O)O	H6B	(1~{r},2~{r},3~{r},4~{s},5~{s},6~{r})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid
+C[S@@](=O)C1=C(C(=O)NC(=C1)c2cccc(c2)OC(F)(F)F)C#N	H6D	4-[(r)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile
+C1CCC2(CC1)CCN(C2)S(=O)(=O)C[C@@H]3CCCOC3	H6E	2-[[(3~{r})-oxan-3-yl]methylsulfonyl]-2-azaspiro[4.5]decane
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccc3ccccc3c2	H6F	~{n}-[(2~{s})-3-methyl-1-[[(2~{s})-4-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide
+C=CC(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O	H6G	n-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
+CN(C)c1c2cc(n(c2nc(n1)NCCc3ccc4ccccc4c3)CCC(=O)N)C(=O)N(CCCCN)CC(=O)N	H6H	~{n}-(4-azanylbutyl)-~{n}-(2-azanyl-2-oxidanylidene-ethyl)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(dimethylamino)-2-(2-naphthalen-2-ylethylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
+C=CS(=O)(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O	H6J	n-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine
+c1ccc(cc1)c2cc(n[nH]2)NC(=O)Nc3cnc(cn3)C#N	H6K	1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1h-pyrazol-3-yl)urea
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C=O)NC(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)[N+](=O)[O-]	H6L	~{n}-[(2~{s})-3-methyl-1-[[(2~{s})-4-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
+c1ccnc(c1)c2nc(cc(n2)N3CCCN(CC3)C(=O)CO)NCCC(=O)O	H6M	n-{6-[4-(hydroxyacetyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine
+c1cc(c(cc1C=O)O)O	H6N	protocatechuic aldehyde
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC[C@@H](CO)O	H6O	(2s)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol
+C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CO	H6P	(2e)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
+C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	H6Q	2-o-[(r)-{[(2s)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-d-glucopyranose
+C#CC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)/C=C/c2ccccc2	H6R	(2~{s})-~{n}-[(2~{s})-1-oxidanylidene-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{e})-3-phenylprop-2-enoyl]amino]pent-4-ynamide
+CN1CCC[C@H]1CCO[C@H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O	H6S	2-[(r)-(2-chlorophenyl){2-[(2s)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid
+CN1CCC[C@H]1CCO[C@@H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O	H6T	2-[(s)-(2-chlorophenyl){2-[(2s)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid
+c1ccc(cc1)[C@H](CNCCc2ccc(cc2)NC(=O)Cc3csc(n3)N)O	H6U	2-(2-azanyl-1,3-thiazol-4-yl)-n-[4-[2-[[(2r)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide
+c1cc(cc(c1)N)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	H6V	2-{(r)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+CN(C)CCCNc1ccn2c(n1)c(cn2)c3ccc4c(c3)OCO4	H6W	~{n}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{n}',~{n}'-dimethyl-propane-1,3-diamine
+CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3OC)Nc4ncc(cn4)CCc5cc(cc(c5)OC)OC	H6X	5-[2-(3,5-dimethoxyphenyl)ethyl]-n-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine
+c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N	H6Y	8-oxo-adenosine-5'-triphosphate
+C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	H6Z	2-o-[(r)-{[(2s)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose
+c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl	H70	2,4-dichloro-6-(3,4,5-tribromo-1h-pyrrol-2-yl)phenol
+CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4	H71	8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine
+c1cc(cnc1)CNc2ccn3c(n2)c(cn3)c4ccc(cc4)C(=O)N	H72	4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@H](C[C@@H]3C(=O)O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C	H73	5'-s-[(2r,4r)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine
+C=CC(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	H74	2-{(r)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+c1cc(ccc1N2C=C3CCCCN3C2=O)Br	H75	2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2h)-one
+C[C@H]1[C@H]([C@H]([C@@H](N1)C#C)O)O	H76	(2s,3s,4r,5s)-2-ethynyl-5-methylpyrrolidine-3,4-diol
+CN(C)C/C=C/C(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	H77	2-{(r)-(3-{[(2e)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+c1cc(cc(c1)c2cccc(c2)NS(=O)(=O)c3cccc(c3)S(=O)(=O)Nc4cccc(c4)c5cccc(c5)CC(O)(P(=O)(O)O)P(=O)(O)O)CC(O)(P(=O)(O)O)P(=O)(O)O	H78	[1-oxidanyl-2-[3-[3-[[3-[[3-[3-(2-oxidanyl-2,2-diphosphono-ethyl)phenyl]phenyl]sulfamoyl]phenyl]sulfonylamino]phenyl]phenyl]-1-phosphono-ethyl]phosphonic acid
+C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)C/C=C/C34[C]5[Fe]3678912([C]5[C]6[C]74)[C]3[C]8[C]9[C]1[C]23)O)O	H79	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-1-{3-[4-(3,4-dihydroxy-5-methylpyrrolidin-2-yl)-1h-1,2,3-triazol-1-yl]prop-1-en-1-yl}cyclopentadienyl]iron
+Cc1c(c(c(o1)C)S(=O)(=O)N[C@@H]2CCOc3c2cc(cc3)F)C(=O)O	H7A	4-{[(4r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)N4CCC(CC4)N(C)C)c5ccc(cc5)Cl)OC	H7B	2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
+COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SC4CCNCC4	H7C	2,7-dimethoxy-9-piperidin-4-ylsulfanyl-acridine
+C1CCC[C@@H]([C@@H](CC1)C(=O)O)NS(=O)(=O)N2CCCC2	H7D	(1r,2s)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)Nc4ccc(cc4)N5CCC(CC5)[N+](C)(C)C)c6ccc(cc6)Cl)OC	H7E	[1-[4-[2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium
+COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CCNCC4	H7F	[2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol
+c1cc(cc(c1)NS(=O)(=O)c2cccc(c2O)Cl)CC(=O)O	H7G	(3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid
+C\C=C\CC(C(=O)C)n1cc(nn1)[C@](C)(C(C)C)NC(=O)c2ccccc2	H7J	n-[(1s)-1-{1-[(1r,3e)-1-acetylpent-3-en-1-yl]-1h-1,2,3-triazol-4-yl}-1,2-dimethylpropyl]benzamide
+COC(=O)c1ccc(o1)c2c3c(n[nH]2)-c4ccc(cc4C3)CNC5CCC(CC5)O	H7K	methyl 5-(6-{[(cis-4-hydroxycyclohexyl)amino]methyl}-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)furan-2-carboxylate
+COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SCC4CNC4	H7L	[9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol
+Cn1cnnc1Sc2ccccc2NS(=O)(=O)c3cccc(c3O)Cl	H7M	3-chloro-2-hydroxy-n-{2-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide
+CCCCCC[P@@](=O)(O)OCCCC	H7N	butoxy(hexyl)phosphinic acid
+COc1ccc2c(c1)c(c3cc(ccc3n2)OCc4ccccc4)SCC5CCNCC5	H7O	2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine
+C[C@H](C1CCC(CC1)c2ccnc3c2cc(cc3)F)C(=O)Nc4ccc(cc4)Cl	H7P	(2r)-n-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
+c1ccc2c(c1)CN(C2)CCCOc3cc4c(cc3OCC5CC5)C6(CCCC6)C(=N4)N	H7Q	5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine
+COc1ccc2c(c1)c(c3c(n2)sc(n3)SC)SCC4CCNCC4	H7R	7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline
+c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O	H7S	(3s)-3-(5-fluoro-1h-indol-3-yl)pyrrolidine-2,5-dione
+CC1(c2cc(c(cc2N=C1N)OCCCN3Cc4ccc(cc4C3)OCCc5cn(nn5)CC(=O)N6CCC(CC6)CCN7CCCC7)OCC8CC8)C	H7T	2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
+CC(C)Oc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCC4CCNCC4	H7U	2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine
+CN[C@@H](CC1CCCCC1)C(=O)O	H7V	3-cyclohexyl-n-methyl-l-alanine
+C[C@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N	H7W	(1~{s})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{h}-isoindole-4-carboxamide
+COc1ccc2c(c1)c(c3cc(cc(c3n2)C(=O)O)OC)SCC4CCNCC4	H7X	2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid
+C/C=C/c1ccc(c(c1)OC)O	H7Y	isoeugenol
+C[C@@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N	H7Z	(1~{r})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{h}-isoindole-4-carboxamide
+COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@H]4CCNC4	H80	[2,7-dimethoxy-9-[[(3s)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
+C[NH+]1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc5c4C(=O)CC5)C(F)(F)F	H82	3-methoxy-~{n}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
+c1ccc(cc1)c2ccc(cc2Cl)CNCCCCN	H83	~{n}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)N	H84	2'-deoxy-5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
+CCCCCCCCCCOc1cc(c[n+](c1)CC(P(=O)(O)O)P(=O)(O)O)c2cc(cc(c2)F)F	H86	3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium
+Cc1ccc(cc1NC(=O)CCO)N2c3c4ccc(cc4ncc3C=CC2=O)c5ccc(cc5)NS(=O)(=O)C	H88	~{n}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide
+c1ccc(cc1)COc2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O	H89	6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+C[C@H]1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)C#N	H8A	3-{[(3r)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile
+CNCc1ccccc1OCc2ccc3ccc(nc3c2)N	H8B	7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
+Cc1c(c(on1)C)c2ccc3c4c2cccc4C(=O)N3[C@H](C)c5ccccc5	H8C	6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1r)-1-phenylethyl]benzo[cd]indol-2-one
+CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C	H8D	(8beta)-n-[(2s)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide
+CN(c1ccccc1)NC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)C(=O)NCc2ccccc2)NC(=O)OCc3ccccc3	H8E	benzyl-n-[(2s)-1-[[(3s)-7-amino-1-(benzylamino)-1,2-dioxoheptan-3-yl]amino]-5-(2-methyl-2-phenylhydrazinyl)-1,5-dioxopentan-2-yl]carbamate
+CC(C)(C)c1cc(c(c(c1)O)CN)C(C)(C)C	H8F	2-(aminomethyl)-3,5-ditert-butyl-phenol
+CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C	H8G	n,n-diethyl-n'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea
+CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl	H8H	n-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2h-pyran-4-yloxy)quinazolin-4-amine
+CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C	H8J	(8alpha)-n-[(2s)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide
+c1cc-2c(cc1CNC3CCC(CC3)O)Cc4c2n[nH]c4c5ccoc5	H8K	trans-4-({[3-(furan-3-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-yl]methyl}amino)cyclohexanol
+Cc1c(c(c(c(n1)C)C(=O)OCC(C)C)c2ccccc2NO)C(=O)OC	H8L	o3-methyl o5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate
+Cc1ccc2c(c1)c3c([nH]2)[C@@H](NCC3)Cc4ccc(c(c4Cl)OC)OC	H8M	(1s)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1h-beta-carboline
+c1cc(ccc1C#N)O	H8N	4-hydroxybenzonitrile
+c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]([C@@H]3CCCCN3)O	H8O	(s)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2s)-piperidin-2-yl]methanol
+CC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N([C@H](C(=O)N3C[C@@H](C(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)CS[C@@H]6CN7CCC6CC7)Cc8ccc(cc8)N(C)C)C	H8Q	~{n}-[(3~{s},6~{r},12~{r},15~{s},16~{s},19~{s},22~{s},25~{s})-25-[[(3~{s})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide
+CCCCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O	H8R	(2~{s})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)C(C)C)C3CCCCC3	H8S	n-{(1s)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)n3cccc3C(=O)O[C@@H]1C(C)C)O)/C	H8T	(10~{r},11~{r},12~{e},17~{e},19~{e},21~{s})-11,19-dimethyl-21-oxidanyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),4,6,12,17,19,25(28)-heptaene-2,8,14,23-tetrone
+C[C@]1(CCN2[C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)c6ccc7c(c6NC5=O)OC=CC(O7)(C)C)N(C3=O)C)O	H8U	paraherquamide a
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@H](C)CCN3CCOCC3)C4CCCCC4	H8V	(2r)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide
+CC(C)CN1CCc2c(ccc3c2cn[nH]3)[C@H]1c4ccc(cc4)CCC(=O)O	H8W	3-[4-[(6~{r})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid
+CS(=O)(=O)N(Cc1ccco1)C[C@@H](Cn2c3ccccc3c4c2cccc4)O	H8X	n-[(2r)-3-carbazol-9-yl-2-oxidanyl-propyl]-n-(furan-2-ylmethyl)methanesulfonamide
+C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)C#C)c(ncn3)N	H8Z	1-[(3~{r})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
+c1ccc(cc1)C(=O)c2ccc(cc2)c3cc(c4cnn(c4n3)Cc5ccncc5)C(=O)O	H90	6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+CN(C)CC1CCC(CC1)N2c3c4cc(ccc4ncc3CNC2=O)c5cc(c(c(c5)Cl)O)Cl	H91	9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1h)-one
+c1cc(ccc1c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4)C(=O)N	H92	4-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide
+CN1C(=O)c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C1N	H93	2-azanyl-9-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one
+c1c(c(cnc1N2CCC(CC2)c3c4c(n[nH]3)NC(=O)C[C@@]4(C(F)(F)F)O)C#N)C(F)(F)F	H94	6-{4-[(4r)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2h-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile
+C[C@H](CC[C@H](C)O)O	H95	(2~{s},5~{r})-hexane-2,5-diol
+COc1ccc2c(c1)c(c3cc(cc(c3n2)CO)OC)SC[C@@H]4CCNC4	H96	[2,7-dimethoxy-9-[[(3r)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
+C[C@]12CCC/C(=C\C=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O	H97	(1r,3r,7e,17beta)-17-[(1r)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol
+C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)O)O	H98	~{n}-[5-[(1~{r})-2-[[(2~{r})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide
+COc1ccc2c(c1)c(c3cc(cc(c3n2)C(F)F)OC)SCC4CCNCC4	H99	4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine
+CCP(=O)(O)OC(C)C	H9A	propan-2-yl hydrogen (r)-ethylphosphonate
+CC[C@@H](C(=O)N[C@@]1(C[C@@H]1c2ccc(cc2)c3ccc(cc3)C(F)(F)F)CN)N	H9B	(2~{s})-~{n}-[(1~{r},2~{r})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide
+c1cc2c3c4c1C=CC=[N]4[Pt]5([N]3=CC=C2)[N]6=C7C(=CC=C6)C=CC8=C7[N]5=CC=C8	H9C	bis(1,10-phenanthroline)platinum(ii)
+[B-](c1cc2cc(ccc2s1)CBr)(O)(O)O	H9E	[5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
+C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO	H9F	2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
+C[C@H]1COc2c1c(cc3c2c(nc(n3)N)N)Oc4cccc(c4)c5[nH]nnn5	H9G	(3r)-3-methyl-4-[3-(1h-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3ccc(cc3)[C@H]4C[C@@]4(C#N)NC(=O)C5(CCCCC5)N	H9H	1-azanyl-~{n}-[(1~{r},2~{r})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide
+CCc1c(c(nc(n1)N)N)OCC2(COC2)COc3ccccc3CCC(=O)O	H9I	3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid
+C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)NC(=O)C(F)(F)F)O)O)O	H9J	2,2,2-trifluoro-n-[(1r,2r,3r,4r,5r,6r)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
+c1cc(ccc1c2ccc(cc2)O)c3c4c(n[nH]3)-c5ccc(cc5C4)O	H9K	3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@@H](C)CCN(C)C)C3CCCCC3	H9M	(2s)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide
+B1(c2ccccc2[C@@H](O1)C(=C)C(=O)O)O	H9O	2-[(3r)-1-oxidanyl-3h-2,1-benzoxaborol-3-yl]prop-2-enoic acid
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)[C@@H](C)Cn3ccnc3)C4CCCCC4	H9P	n-[(1s)-1-cyclohexyl-2-{[(2s)-3-(1h-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-n~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alaninamide
+c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O2)O)O	H9R	2-[3,4-bis(oxidanyl)phenyl]-6-[(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one
+CCC(=O)N[C@@H](Cc1nc2ccc(cc2s1)C(C)C)C(=O)N[C@H](CNC(=O)/C=C/CN3CCOCC3)C4CCCCC4	H9S	(2e)-n-[(2s)-2-cyclohexyl-2-({n-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-l-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide
+C([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@H]1O)O)O)O	H9T	(1~{s},2~{s},3~{s},4~{s},5~{r},6~{s})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
+C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C	H9U	(2r)-2-[[(2s)-2-[[(2r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-3-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid
+c1cc(ccc1c2c(cc(cc2F)Cl)F)[C@@H]3[C@@H](N[C@H]3C#N)CF	H9V	(2r,3s,4r)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile
+c1cc(c(cc1F)OCCN2C=CC(=O)NC2=O)Oc3cc(cn4c3cc(c4)C#N)F	H9Y	8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)N[C@H]6CCCN(C6)C	H9Z	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-[(3~{s})-1-methylpiperidin-3-yl]pyridine-4-carboxamide
+CCC[C@H](CC1(CCCC1)C(=O)N[C@H](Cc2ncc(o2)c3ccccc3)C(=O)O)C(=O)O	HA0	heteroarylalanine 5-phenyl oxazole
+c1nc2c(n1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N	HA1	9-(5,5-difluoro-5-phosphonopentyl)guanine
+c1ccc(cc1)COc2ccc(cc2)C[C@@H](CN(C(=O)CCCCC(=O)O)O)N	HA2	6-[{(2s)-2-amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid)
+c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(=O)NO	HA3	n-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)carbonyl]thiophene-2-carboxamide
+C1c2c(onc2O)CN[C@H]1C(=O)O	HA5	(5r)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid
+c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3	HA6	2-(1h-pyrazol-4-yloxy)-3h-pyrido[3,4-d]pyrimidin-4-one
+C1CN[C@@H](c2c1c(no2)O)C(=O)O	HA7	(7s)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid
+C=CC\C=N\c1c2c(nc[nH]2)ncn1	HA8	n6-(buta-2,3-dienyl)adenine
+c1cc(c(cc1CC(=O)O)O)O	HAA	2-(3,4-dihydroxyphenyl)acetic acid
+c1ccc(c(c1)C(=O)O)/N=N/c2ccc(cc2)O	HAB	2-((4'-hydroxyphenyl)-azo)benzoic acid
+C1CCC(CC1)C[C@@H](C(=O)O)N	HAC	beta-cyclohexyl-alanine
+C(C(=O)O)N(C(=O)O)O	HAD	(carboxyhydroxyamino)ethanoic acid
+CC(=O)NO	HAE	acetohydroxamic acid
+CC(C)(C)OC(=O)N1CC2=C(C1)N=C(N(C2=O)C)N[C@@H]3C[C@@H](CN(C3)C)c4ccccc4	HAF	tert-butyl 3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
+CCCCC[C@@H]1[C@H](C[C@@H](O1)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	HAG	4-s-glutathionyl-5-pentyl-tetrahydro-furan-2-ol
+c1ccc(c(c1)CN[C@@H]2C=C[C@H]([C@@H]([C@H]2O)O)O)O	HAH	(1s,2s,3r,6r)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol
+C1CCC(CC1)[NH3+]	HAI	cyclohexylammonium ion
+c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N	HAJ	5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)Nc6cncnc6	HAK	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-pyrimidin-5-yl-pyridine-4-carboxamide
+c1ccc(cc1)CCNC(=O)CO[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)CCCC(=O)O)O	HAL	n-{[2-({[1-(4-carboxybutanoyl)amino]-2-phenylethyl}-hydroxyphosphinyl)oxy]acetyl}-2-phenylethylamine
+c1c(nc[nH]1)C[C@@H](C(=O)O[P@](=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[NH3+]	HAM	histidyl-adenosine monophosphate
+Cc1cc2c(cc1C)n(c(n2)N)CCCCC(=O)O	HAN	2-amino-5,6-dimethyl-benzimidazole-1-pentanoic acid
+COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O	HAO	{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC	HAP	(n-(2-hydroxamatemethylene-4-methyl-pentoyl)phenylalanyl)methyl amine
+c1cc2c3c(c1)C[C@H](N3C(=O)[C@H](CC2)N)C(=O)O	HAQ	5-amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indole-2-carboxylic acid
+C(C[C@@H](C(=O)O)N)CNC(=N)NO	HAR	n-omega-hydroxy-l-arginine
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=CC6=[N]7[Fe@]3(N45)[N]8=C(C=C7C(=C6CCC(=O)O)C=O)C(=C(C8=C2)[C@H](CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)O)C)CCC(=O)O)C	HAS	heme-as
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)N[C@H]6CCN(C6)C	HAT	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-[(3~{s})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
+Cc1ccc(nc1)NC(=O)C2CCN(CC2)C(=O)C	HAU	1-acetyl-n-(5-methylpyridin-2-yl)piperidine-4-carboxamide
+CC(C)[C@H](C(=O)NO)N	HAV	hydroxyaminovaline
+Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5ccccc5S(=O)(=O)NCc6cncnc6	HAW	2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(pyrimidin-5-ylmethyl)benzenesulfonamide
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)NO)O	HAX	n-hydroxyamidocarboxymethyldethia coenzyme *a
+C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C	HAY	(2r)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+C[C@]12CCC[N@@+]([C@@H]1CCC3([C@H]2O3)C)(CC(=O)Nc4ccc(cc4)NC(=O)CCCC(=O)O)[O-]	HAZ	4-{4-[2-(1a,7a-dimethyl-4-oxy-octahydro-1-oxa-4-aza-cyclopropa[a]naphthalen-4-yl) -acetylamino]-phenylcarbamoyl}-butyric acid
+C1CC(CCC1CO)O	HB0	trans-4-(hydroxymethyl)cyclohexanol
+c1ccc2c(c1)-c3c4c(c5c6c3[NH]2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7[CH]8=C9=[CH]12)C#O)C(=O)NC4=O	HB1	ruthenium-pyridocarbazole-1
+CCCCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N	HB2	1-(4-amino-2-butyl-1h-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
+c1nc([nH]n1)SCCN	HB3	2-(1h-1,2,4-triazol-5-ylsulfanyl)ethanamine
+c1cc2c(cc1c3c4cc[nH]c4ncn3)[C@H](CC2)NC=N	HB4	n-[(1s)-6-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1h-inden-1-yl]imidoformamide
+[H]/N=C/[C@]1(C[C@@H]1c2ccc(cc2)c3ccc(cc3)S(=O)(=O)N4CCN(CC4)C)NC(=O)[C@H](Cc5cccs5)N	HB5	(2~{s})-2-azanyl-~{n}-[(1~{r},2~{r})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide
+CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NCc3ccccc3	HB7	n-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-n-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide
+[B-](c1cc2cccc(c2s1)NC(=O)OC(C)(C)C)(O)(O)O	HB8	[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
+c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCO	HB9	~{n}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide
+c1cc(ccc1C=O)O	HBA	p-hydroxybenzaldehyde
+CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)c3ccccc3	HBB	n-{(2r)-2-hydroxy-2-[(8s,11s)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-n-isopentylbenzenesulfonamide
+c1ccc(cc1)[C@@H]2[C@H]3CC[C@H](C3)[C@@]2(C(=O)c4ccccc4)N	HBC	(2-amino-3-phenyl-bicyclo[2.2.1]hept-2-yl)-phenyl-methanone
+c1cc(ccc1C(=O)N)O	HBD	4-hydroxybenzamide
+C([C@@H]1[C@@H]([C@@H]([C@H](C2[C@H]1O2)O)O)O)O	HBE	(2~{r},3~{s},4~{s},5~{r},6~{s})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC=CC34C5=C6[Fe]5378913(C6=C74)[c-]4c8c9c1c43)NC(=O)N2	HBF	ferrocene homobiotin derivative
+Cc1cc(cc(c1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NC3CCCCC3)C	HBG	n-[2-(cyclohexylamino)-2-oxoethyl]-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide
+CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)CC(=O)N)O)S(=O)(=O)c3ccccc3	HBH	2-[(8s,11s)-11-{(1r)-1-hydroxy-2-[isopentyl(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide
+C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O	HBI	7,8-dihydrobiopterin
+Cc1ccc(cc1)NC(=O)CN(Cc2ccc(cc2)C(=O)NO)C(=O)c3ccc(cc3)N(C)C	HBJ	4-(dimethylamino)-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-n-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide
+COc1ccc2c(c1)O[C@@H](C(=O)N2O)O	HBK	(2s)-2,4-dihydroxy-7-methoxy-2h-1,4-benzoxazin-3(4h)-one
+C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O	HBL	7,8-dihydro-l-biopterin
+CS(=O)(=O)Nc1ccc(cc1)CCNC(=O)c2ccc(c3c2[nH]c(n3)c4ccc(cc4Cl)Cl)O	HBM	2-(2,4-dichloro-phenyl)-7-hydroxy-1h-benzoimidazole-4-carboxylic acid [2-(4-methanesulfonylamino-phenyl)-ethyl]-amide
+c1ccc2cc(ccc2c1)NC(=O)C(Cc3cnc[nH]3)N	HBN	n-(2-naphthyl)histidinamide
+COc1ccc2c(c1)O[C@H](C(=O)N2O)O	HBO	2,4-dihydroxy-7-(methyloxy)-2h-1,4-benzoxazin-3(4h)-one
+c1cc[n+](c(c1)\C=N\O)CCCCCCC[n+]2ccccc2\C=N\O	HBP	1,7-heptylene-bis-n,n'-syn-2-pyridiniumaldoxime
+CC[C@H]1C(=O)Nc2ccc(cc2N1C(=O)OC(C)C)F	HBQ	isopropyl (2s)-2-ethyl-7-fluoro-3-oxo-3,4-dihydroquinoxaline-1(2h)-carboxylate
+C[C@H](C(=O)C)O	HBR	r,3-hydroxybutan-2-one
+C[C@@H](C(=O)C)O	HBS	s,3-hydroxybutan-2-one
+C[C@H]1CCc2c(sc(c2C(=O)N)NC(=O)c3ccccc3[N+](=O)[O-])C1	HBT	(6s)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+C[P@](=O)(CC(=O)CC(=O)O)O	HBU	4-[hydroxy-[methyl-phosphinoyl]]-3-oxo-butanoic acid
+CN(Cc1ccc(cc1F)C(=O)NO)CC23CC4CC(C2)CC(C4)C3	HBV	3-fluoro-n-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide
+CNC(=O)[C@@H]1CCCN1S(=O)(=O)c2ccc(c(c2Cl)COc3cccc4c3nc(cc4n5ccnc5)C(F)(F)F)Cl	HBW	(2~{s})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{n}-methyl-pyrrolidine-2-carboxamide
+c1ccc(cc1)C=O	HBX	benzaldehyde
+CC(C)OC(=O)N1c2cc(ccc2NC(=S)[C@@H]1CSC)OC	HBY	(s)-4-isopropoxycarbonyl-6-methoxy-3-methylthiomethyl-3,4-dihydroquinoxalin-2(1h)-thione
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	HBZ	n-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)C=O	HC0	2 iron/2 sulfur/6 carbonyl/1 water inorganic cluster
+C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)[OH2]	HC1	2 iron/2 sulfur/5 carbonyl/2 water inorganic cluster
+CC(C)CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O	HC2	20-hydroxycholesterol
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	HC3	25-hydroxycholesterol
+c1cc(ccc1\C=C\C(=O)O)O	HC4	4'-hydroxycinnamic acid
+CCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	HC5	(r)-3-carboxy-2-(hexanoyloxy)-n,n,n-trimethylpropan-1-aminium
+C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)[C@]4(C[N+](CCO4)(C)C)O)O)C	HC6	(2s,2's)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium)
+C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)C(=O)C[N+](C)(C)CCOP(=O)(O)O)O)C	HC7	(2s)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium
+CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC	HC8	1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one
+C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O	HC9	(3alpha,8alpha,22r)-cholest-5-ene-3,22-diol
+C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O	HCA	3-hydroxy-3-carboxy-adipic acid
+CC1=C2[C@]([C@H]([C@H]3N2[Co]45[N+]6=C1[C@H](C(C6=CC7=[N+]4C(=C(C8=[N+]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@@](=O)([O-])O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)O)CO	HCB	5-hydroxybenzimidazolylcobamide
+c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O	HCC	2',4,4'-trihydroxychalcone
+CC(C)CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O	HCD	(3alpha,8alpha)-cholest-5-ene-3,20-diol
+c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCC[C@@H](C(=O)O)N	HCE	{(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-l-methionine
+C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)NCC(=O)O	HCG	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-glycine
+[B-](c1cc2cccc(c2s1)C(=O)O)(O)(O)O	HCH	(7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide
+c1ccc(cc1)CCC(=O)O	HCI	hydrocinnamic acid
+c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)OC[C@@H]3CN4C=CC(=O)N=C4O3	HCJ	(2s)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7h-[1,3]oxazolo[3,2-a]pyrimidin-7-one
+COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3)C(=O)O	HCK	4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid
+c1c(cc(c(c1[C@@H](C(=O)O)N)Cl)O)O	HCL	(2s)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid
+CSSCC[C@@H](C(=O)O)N	HCM	(2s)-2-amino-4-(methyldisulfanyl)butanoic acid
+C1OC[S@H]2[Fe]3([S@@H]1[Fe]2(C3=O)(C=O)(C#N)[OH2])(C=O)C#N	HCN	2 iron/2 sulfur/3 carbonyl/2 cyanide/water/methylether cluster
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C(=C)O)C)C)CCC(=O)O	HCO	2-acetyl-protoporphyrin ix
+Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2(CCCC2)P(=O)(O)O)O	HCP	1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]cyclopentylphosphonic acid
+[B-](c1cc2cc(ccc2s1)CN)(O)(O)O	HCQ	[5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C	HCR	7-hydroxycholesterol
+C(CS)[C@@H](C(=O)O)N	HCS	2-amino-4-mercapto-butyric acid
+C(CC(=O)O)[C@H](CC(=O)O)C(=O)O	HCT	(2r)-butane-1,2,4-tricarboxylic acid
+c1nc2c(n1CC[C@H](CO)COP(=O)(O)O)NC(=NC2=O)N	HCU	[(2r)-4-(2-azanyl-6-oxidanylidene-3h-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate
+CC(C)[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N	HCV	n-[(5s)-5-amino-5-carboxypentanoyl]-l-homocysteyl-d-valine
+C/C(=N\NC1=NCCN1)/c2ccc(cc2)NC(=O)Nc3ccc(cc3)/C(=N/NC4=NCCN4)/C	HCW	1,3-bis{4-[(1e)-n-(4,5-dihydro-1h-imidazol-2-yl)ethanehydrazonoyl]phenyl}urea
+C1[C@H]2[C@@H]1[C@@H]([C@H](C2)O)CO[P@@H](=O)O	HCX	(south) bicyclo[3.1.0]hexane
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O	HCY	(11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione
+c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2	HCZ	6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+CCCSc1c(ccc(n1)N2CCN(CC2)C)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O	HD1	6-(4-methylpiperazin-1-yl)-n-[(1r,3s)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide
+c1c(c(nc(n1)N[C@H]2CCOC2)C3CCCC3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O	HD2	4-cyclopentyl-n-[(1s,3r)-5-oxidanyl-2-adamantyl]-2-[[(3s)-oxolan-3-yl]amino]pyrimidine-5-carboxamide
+c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	HD3	2-azanyl-7-[(2r,3r,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3h-pyrrolo[2,3-d]pyrimidin-4-one
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@H](COP(=O)(O)O)O)O)CO)O)O	HD4	4-o-[2-acetamido-2-deoxy-beta-d-glucopyranosyl]-1-o-phosphono-d-ribitol
+B(c1cc2cc(ccc2s1)CN)(O)O	HD5	[5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid
+CCCCCCCCCCCCCCCCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	HD6	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{s})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	HD9	(2r,3r,4s,5r)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
+C(C(=O)O)N(C=O)O	HDA	hadacidin
+[H]/N=C(/N)\NCc1ccc(cc1)B2OC[C@H](O2)CO	HDB	(r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine
+CCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	HDC	3r-hydroxydecanoyl-coenzyme a
+Cc1c2n3c(c1CCC(=O)O)C=C4[C@]5(CCC(=O)O5)[C@@](C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C2)C(=C(C9=C8)C=C)C)C)C=C)(C)O	HDD	cis-heme d hydroxychlorin gamma-spirolactone
+CCc1c(c2n3c1Cc4c(c(c5n4[Fe]36n7c(c(c(c7C=C8N6C(=C5)[C@@]9([C@@]8(C)O)CCC(=O)O9)C)CC)C2)CCC(=O)O)C)C	HDE	cis-heme d hydroxychlorin gamma-spirolactone 17r, 18s
+c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@H]([C@@H]([C@H](CO)O)O)O	HDF	8-hydroxy-10-(d-ribo-2,3,4,5-tetrahydroxypentyl)-5-deazaisoalloxazine
+COc1ccc(cc1)CCNC(=O)[C@@H](CC[C@@H](C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)CNCc5ccccc5)N	HDG	(2r,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-n-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name)
+c1cc(ccc1C(=O)NN)O	HDH	4-oxidanylbenzohydrazide
+COC(=O)C[C@H]1CC(=NO1)c2ccc(cc2)O	HDI	3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazole-acetic acid methyl ester
+Cc1cc(c(c(c1)F)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CF)F	HDJ	(2r,3s,4r)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile
+[C@@H]([C@@H](C(=O)NO)O)([C@@H](C(=O)O)O)O	HDL	d-arabinohydroxamic acid
+Cc1c2n3c(c1CCC(=O)OC)C=C4C(=C(C5=Cc6c(c(c7n6[Fe]3(N54)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)CCC(=O)OC	HDM	dimethyl propionate ester heme
+CN=N	HDN	methylhydrazine
+CCCCCCCCC(=O)CCCO	HDO	1-hydroxydodecan-4-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](C=C2)COP(=O)(O)O)O	HDP	[(1s,6s)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+[B-](CCC[C@H]1CN(C[C@]1(C(=O)O)N)C[C@@H]2CCCCN2)(O)(O)O	HDQ	3-[(3~{s},4~{r})-4-azanyl-4-carboxy-1-[[(2~{s})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide
+CCCCCCCCCCCCCCCC[S@](=O)O	HDR	hexadecane-1-sulfinic acid
+CCCCCCCCCCCCCCCCS(=O)(=O)O	HDS	1-hexadecanosulfonic acid
+c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N	HDT	4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
+Cc1c(n2ccccc2n1)c3ccnc(n3)NC(=O)C	HDU	n-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]acetamide
+Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N	HDV	9-{2-deoxy-2-fluoro-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-2-me thyl-9h-purin-6-amine
+C(CCCCCCCc1n[nH]nn1)CCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CSCCO)C(=O)O)C(=O)O)C(=O)O	HDW	(2~{s})-6-[2-(2-hydroxyethylsulfanyl)ethanoylamino]-2-[2-[2-[2-[[(4~{r})-5-oxidanyl-5-oxidanylidene-4-[[(4~{s})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{h}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid
+C1=CN(C(=O)C(=C1CCOP(=O)(O)O)O)CP(=O)(O)O	HDX	({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2h)-yl}methyl)phosphonic acid
+Cc1c(n2ccccc2n1)c3ccnc(n3)Nc4ccc(cc4)OC[C@H](CN(C)C)O	HDY	1-(dimethylamino)-3-(4-{{4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol
+N#N	HDZ	nitrogen molecule
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)CCCC[C@@H](C(=O)O)NC(=O)CN)C(=O)O)C	HE0	(2r,4s)-2-[(1r)-1-{[(6s)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1ccc(c(c1)O)SCC\C=C\P(=O)(O)O	HE1	4-(2-hydroxyphenylthio)-1-butenylphosphonic acid
+CCCCCCO	HE2	hexan-1-ol
+Cc1ncc2c(n1)N[C@]3([N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C)[C@H](C)O	HE3	2-hydroxyethyl dihydrothiachrome diphosphate
+CCCCCCCO	HE4	heptan-1-ol
+Cc1cc2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Zn@@]3(N45)N8C(=C7)CC(C8=C2)C)C)CCC(=O)OC)CCC(=O)OC)C	HE5	zinc(ii)-deuteroporphyrin dimethylester
+Cc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C(=O)O)C)C(=C(C7=C2)C)C(=O)O)C)C)C	HE6	6,7-dicarboxyl-1,2,3,4,5,8-hexamethylhemin
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)O	HE7	4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
+[B-](CCC[C@H]1CNC[C@]1(C(=O)O)N)(O)(O)O	HE8	3-[(3~{s},4~{r})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide
+COC(=O)c1ccc(c(c1)O)O	HE9	methyl 3,4-bis(oxidanyl)benzoate
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C)CCC(=O)O)C	HEA	heme-a
+CCC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C)C)C	HEB	heme b/c
+CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C	HEC	heme c
+C(CSSCCO)O	HED	2-hydroxyethyl disulfide
+CCCCCC[P@](=O)(O)OCC	HEE	n-hexylphosphonate ethyl ester
+CC1=C(N(C(=O)NC1=O)COCCO)Sc2ccccc2	HEF	1-(2-hydroxyethyloxymethyl)-6-phenyl thiothymine
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mg@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C	HEG	protoporphyrin ix containing mg
+Cc1cc2c(c3c1C(=O)C=C(O3)[C@]4([C@@H](O4)[C@H]5[C@@H](O5)C)C)C(=O)c6c(c(cc(c6O)[C@H]7C[C@]([C@@H]([C@@H](O7)C)O)(C)[NH+](C)C)[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)[NH+](C)C)C2=O	HEH	hedamycin
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2N3CCC(CC3)C(=O)O	HEI	1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N	HEJ	9-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-9h-purin-6-amine
+CC(=O)NCC(=O)N[C@@H](Cn1cc(nn1)c2cc(cc(c2)C(=O)O)c3cn(nn3)C[C@@H](C(=O)NCC(=O)NCC(=O)N)N)C=O	HEK	3-[1-[(2~{s})-2-(2-acetamidoethanoylamino)-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]-5-[1-[(2~{s})-2-azanyl-3-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]benzoic acid
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])C(=O)[O-])C	HEL	(2s,5r,6r)-6-{[(6r)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O	HEM	protoporphyrin ix containing fe
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\CP(=O)(O)O)/C(=O)O)O	HEN	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-imino]-5-phosphono-pent-3-enoic acid
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)[C@H](CC/C=C(/C)\CCC=C(C)CCC=C(C)C)O	HEO	heme o
+CCCC[C@H](NC(=O)CCC(=O)O)[P@@](=O)(O)Oc1ccccc1	HEP	phenyl[1-(n-succinylamino)pentyl]phosphonate
+CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C	HEQ	3-[18-(4-hydroxy-2,6,6-trimethyl-cyclohex-1-enyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15, 17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-enone
+COc1cc(c2c(c1)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O)O	HER	7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one
+CC=C1C(=C2C=C3C(=CC)C(=C4N3[Zn]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C	HES	zinc substituted heme c
+CP(=O)(C)c1ccc(cc1)Nc2c3c(nc(n2)C4CCCC4)n(cn3)CCc5cccc(c5)O	HET	3-[2-(2-cyclopentyl-6-{[4-(dimethylphosphoryl)phenyl]amino}-9h-purin-9-yl)ethyl]phenol
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)CCO)COP(=O)(O)O)O	HEU	3-(2-hydroxyethyl)-2'-deoxyuridine-5'-monophosphate
+CC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8C)CCC(=O)O)C(=C(C7=C5)C=C)C=C)C=C)C=C)CCC(=O)O	HEV	5,8-dimethyl-1,2,3,4-tetravinylporphine-6,7-dipropionic acid ferrous complex
+c1cnc(cc1Br)N	HEW	4-bromanylpyridin-2-amine
+CCCCCC	HEX	hexane
+Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CCP(=O)(O)O)/C(=O)O)O	HEY	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-phosphonopent-2-enoic acid
+C(CCCO)CCO	HEZ	hexane-1,6-diol
+COc1cc(c2c(c1)O[C@H]([C@@H](C2=O)O)c3cc(c(c(c3)O)O)O)O	HF0	(2s,3s)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one
+c1cc(c(cc1F)SCCC=CP(=O)(O)O)O	HF1	4-(2-hydroxy-4-fluorophenylthio)-butylphosphonic acid
+c1ccc(cc1)C[C@H](C(=O)O)O	HF2	(2r)-2-hydroxy-3-phenylpropanoic acid
+O[Hf]123(OP4(=O)O[Hf]5(O1)(O2[Hf](O4)(O3)(O5)(O)(O)O)(O)O)O	HF3	smallest hf-oxo-phosphate cluster hf3
+C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	HF4	4-amino-1-{5-o-[(s)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}pyrimidin-2(1h)-one
+O[Hf]1(O[Hf]23(O[Hf]45(O[Hf]6(O1)(O2)([O@]4[Hf](O3)(O5)(O6)(O)(O)O)O)(O)O)(O)O)(O)(O)O	HF5	hf oxo cluster hf5
+COC(=O)/C=C/c1ccc(cc1)O	HF6	methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate
+Cc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N	HF7	2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate)
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)O)O)O)O)O	HF8	[(1~{s},2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate
+COC(=O)c1ccc(cc1O)O	HF9	methyl 2,4-bis(oxidanyl)benzoate
+c1ccc(cc1)C[C@@H](C(=O)O)O	HFA	alpha-hydroxy-beta-phenyl-propionic acid
+c1(c(c(c(c(c1F)F)F)F)F)F	HFB	hexafluorobenzene
+c1c2c(cc(c1O)O)OC(=O)C=C2	HFC	6,7-bis(oxidanyl)chromen-2-one
+c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N	HFD	2-fluoro-9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-arabinofuranosyl}-9h-purin-6-a mine
+c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O	HFG	7-bromo-6-chloro-3-{3-[(2r,3s)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3h)-one
+CC(C)C[C@@H](C(=O)N1C[C@@H]([C@@H]2[C@H]1[C@H](CO2)O)F)NC(=O)c3ccc(cc3)c4csc(n4)N5CCN(CC5)C	HFH	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{s},6~{a}~{s})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
+c1ccc2c(c1)nc(o2)NC3=NC4(CCCCC4)C5=C(N3)CCCC5=O	HFK	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one
+COc1cc(cc(c1O)O)\C=C\C(O)O	HFL	5-(3,3-dihydroxypropeny)-3-methoxy-benzene-1,2-diol
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(=CO)C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C)C)CCC(=O)O	HFM	2-formyl-protoporphryn ix
+Cc1c(c(n(n1)CC(CO)(F)F)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4	HFN	6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1h-pyrazol-4-yl]-2h-1,4-benzoxazin-3(4h)-one
+CC(=O)c1ccc(c(c1)O)O	HFO	1-[3,4-bis(oxidanyl)phenyl]ethanone
+CC(C)CCCC(C)CCCC(C)C[C@@H](O)P(=O)(O)O	HFP	alpha-hydroxyfarnesylphosphonic acid
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4O)O)O	HFQ	2,4-dihydroxyphenacyl coenzyme a
+c1cc(cc(c1)Br)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	HFR	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl n-[(3s)-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate
+c1cc2c(ccnc2O)c(c1)S(=O)(=O)[N@]3CCCNCC3	HFS	1-(1-hydroxy-5-isoquinolinesulfonyl)homopiperazine
+CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O	HFT	hydroxyflutamide
+Cc1cc-2n3c1C(=O)NC=C3CN(c4c2cc(cc4)CS(=O)(=O)C)C(=O)c5cccc6c5cccc6	HFU	5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2h)-one
+C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)N[C@@H](C(C(F)(F)F)C(F)(F)F)C(=O)O	HFV	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-l-3,3,3,3',3',3'-hexafluorovaline
+	HFW	dawson-type polyoxometalate
+CS(=O)c1c2c(c(s1)Cl)CCCC2=O	HFX	1-chloranyl-3-methylsulfinyl-6,7-dihydro-5h-2-benzothiophen-4-one
+c1ccc(c(c1)CNc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl	HFY	8-{[(2-chlorophenyl)methyl]amino}adenosine
+c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F	HFZ	6-(trifluoromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+[Hg+2]	HG	mercury (ii) ion
+CC(C)c1ccc(cc1S(=O)(=O)C)C(=O)N=C(N)N	HG0	n-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide
+C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	HG1	1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-d-glucitol
+Br[Hg]Br	HG2	dibromomercury
+C([C@H](C(O)O)O)OP(=O)(O)O	HG3	[(2~{r})-2,3,3-tris(oxidanyl)propyl] dihydrogen phosphate
+CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2CCCCn4c5ccc(cc5nc4NC(=O)c6cc(nn6CC)C)C(=O)N)C(=O)N	HG4	1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1h-pyrazole-5-carbonyl)amino]-1h-benzimidazole-5-carboxamide}
+CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3ccccc3)Nc4ccc(cc4OCC)C5CCN(CC5)C)C	HG5	(7~{r})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{h}-pteridin-6-one
+c1ccc2c(c1)C(=O)c3cc(cc(c3C2=O)Cl)C(=O)O	HG6	4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
+CN(C)CCCNC(=O)[C@H](c1cccc(c1)O)N	HG7	(2s)-2-azanyl-n-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide
+CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3cc(cs3)C)Nc4ccc(cc4OCC)C5CCN(CC5)C)C	HG8	(7~{r})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{h}-pteridin-6-one
+CCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O	HG9	1-deoxy-1-[(2-hydroxyethyl)(nonanoyl)amino]hexitol
+C(CC(=O)NO)[C@@H](C(=O)O)N	HGA	glutamine hydroxamate
+c1cc(ccc1C(=O)O)[Hg]O	HGB	4-(hydroxymercury)benzoic acid
+C[Hg+]	HGC	methyl mercury ion
+C(CC(=O)N[C@@H](CS[Hg]SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	HGD	mercury bis(l-gamma-glutamyl-3-sulfido-l-alanylglycine)
+CCOC(=O)C1CCN(CC1)c2cnccn2	HGE	ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate
+COCCOc1cc(cnc1)c2cc3c(ccc4c3[nH]c5c4C(=O)NCC5)cn2	HGF	2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7h-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](CC(=O)O)O)O	HGG	(3r,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
+c1cc(cc(c1)Oc2c3c([nH]cn3)nc(n2)N)CC(=O)O	HGH	2-[3-[(2-azanyl-9~{h}-purin-6-yl)oxy]phenyl]ethanoic acid
+I[Hg]I	HGI	mercury (ii) iodide
+CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2C[C@@H](c4ccccc4)O)C(=O)N	HGJ	2-[(1-ethyl-3-methyl-1h-pyrazole-5-carbonyl)amino]-1-[(2r)-2-hydroxy-2-phenylethyl]-1h-benzimidazole-5-carboxamide
+c1cc(ccc1CC(=O)O)OC2=CC=NC(=O)C2	HGK	2-[4-[(2-oxidanylidene-3~{h}-pyridin-4-yl)oxy]phenyl]ethanoic acid
+c1nc2c(n1CC[C@@H](C(=O)O)N)N=C(NC2=O)N	HGL	(2s)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)butanoic acid
+CN[C@H](c1ccc(cc1)O)C(=O)O	HGM	(2r)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid
+[Hg][Hg]	HGN	mercuriomercury
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	HGP	(1-hexadecanoyl-2-tetradecanoyl-glycerol-3-yl) phosphonyl choline
+C1=CNC(=O)C=C1Br	HGQ	4-bromanyl-1~{h}-pyridin-2-one
+C/C(=C\C1=CC(=O)C(=CC1)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@@H]([C@H]([C@@H]4[C@H]([C@@H]3O)OCO4)O)O	HGR	hygromycin a
+C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H](C(=O)O)N	HGS	d-gamma-glutamyl-l-cysteinyl-beta-alanine
+C(CO[Sn](O)(O)O)N[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)N	HGT	(2-((2r,3s,4r,5s,6s)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-ylamino)ethoxy)stannanetriol
+C(=N)(N)NO	HGU	n-hydroxyguanidine
+C[C@@H](P(=O)(O)O)P(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O	HGV	2'-deoxy-5'-o-[(r)-hydroxy({(r)-hydroxy[(1s)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]adenosine
+c1c(cncn1)I	HGW	5-iodanylpyrimidine
+CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C	HGX	1-heptadecanoyl-2-tridecanoyl-3-glycerol-phosphonyl choline
+[C@H](C(=O)O)(N)O	HGY	(2s)-amino(hydroxy)ethanoic acid
+CC1=CC(=O)Nc2c1cc(c(c2OC)OC)OC	HGZ	6,7,8-trimethoxy-4-methylquinolin-2(1h)-one
+C[C@@H](C(=O)N[C@@H](C)C(=O)OC)NC(=O)[C@H](Cc1ccccc1)O[P@](=O)([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	HH0	methyl n-[(2s)-2-({(s)-hydroxy[(1r)-3-methyl-1-{[n-(3-methylbutanoyl)-l-valyl-l-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-l-alanyl-l-alaninate
+c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@@H]3C[C@@H](c4c3cccc4)CC(=O)N)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6	HH1	(3s)-tetrahydrofuran-3-yl (1r)-3-{(2r)-4-[(1s,3s)-3-(2-amino-2-oxoethyl)-2,3-dihydro-1h-inden-1-yl]-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl}-1-benzyl-2-hydroxypropylcarbamate
+c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O	HH2	6-hydroxymethylpterin-diphosphate
+c1ccc(cc1)C(=O)N[C@H](C(=O)O)O	HH3	(2s)-hydroxy[(phenylcarbonyl)amino]ethanoic acid
+CC(C)(C)c1ccc(cc1)C(=O)CCC(=O)O	HH4	4-(4-tert-butylphenyl)-4-oxobutanoic acid
+c1[nH]c2c(n1)nc(nc2I)N	HH5	6-iodanyl-7~{h}-purin-2-amine
+c1cc(ccc1c2c3ccc(cc3[nH]n2)O)O	HH6	3-(4-hydroxyphenyl)-1h-indazol-6-ol
+c1cc(c(cc1Cl)Cl)OCCCNc2[nH]ccn2	HH7	n-[3-(2,4-dichlorophenoxy)propyl]-1h-imidazol-2-amine
+c1cc2c(ccnc2nc1)Br	HH8	4-bromanyl-1,8-naphthyridine
+c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O	HH9	4-chloranyl-9-oxidanylidene-xanthene-2-carboxylic acid
+C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O	HHA	(2s,3s)-trans-2,3-dihydro-3-hydroxyanthranilic acid
+c1cc(cc(c1)Nc2ccncn2)CC(=O)O	HHB	2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid
+c1cnc(cc1C(=O)NC[C@H](C(=O)N)N)C2=N[C@@H](CS2)C=O	HHC	~{n}-[(2~{r})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{r})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide
+C(C[C@@H](CC(=O)O)O)CC(=O)O	HHD	(3s)-3-hydroxyheptanedioic acid
+CC[C@H](C[C@@H]([C@H](CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O	HHE	(2r,4s,5s)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-n-[(1r,2s,3s,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide
+c1ccc(cc1)C2=C(C(=O)c3ccc(cc3O2)O)O	HHF	3,7-dihydroxy-2-phenyl-4h-chromen-4-one
+CCCCCC(=O)OC[C@@H](COP(=O)(O)O)O	HHG	(2r)-2-hydroxy-3-(phosphonooxy)propyl hexanoate
+c1cc(ccc1[C@@H](C(=O)O)O)O	HHH	(2s)-hydroxy(4-hydroxyphenyl)ethanoic acid
+[H]/N=C(/Cc1cnc[nH]1)\C(=O)O	HHI	(2z)-3-(1h-imidazol-5-yl)-2-iminopropanoic acid
+c1ccc2c(c1)c(c[nH]2)CCNC(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4NC(=NC5=O)N)O)O	HHJ	5'-o-{[2-(1h-indol-3-yl)ethyl]carbamoyl}guanosine
+C(CCCN)CC[C@@H](C(=O)O)N	HHK	(2s)-2,8-diaminooctanoic acid
+Cc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)NC(=O)C(=C)F	HHL	n-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide
+c1cc(cc(c1)C(=O)NCc2cc(cc(c2)Cl)Cl)Cn3ccnc3	HHM	n-[(3,5-dichlorophenyl)methyl]-3-[(1h-imidazol-1-yl)methyl]benzamide
+c1c(cncn1)Br	HHN	5-bromanylpyrimidine
+C(CCCCO)CCCNCO	HHO	1-(hydroxymethyleneamino)-8-hydroxy-octane
+C1C(=NC2=C(N1)N=C(NC2=O)N)CO	HHP	6-hydroxymethyl-7,8-dihydropterin
+C1C(=CC=NC1=O)I	HHQ	4-iodanyl-3~{h}-pyridin-2-one
+c1c(nc2c(n1)N=C(NC2=O)N)CO	HHR	6-hydroxymethylpterin
+c1c(nc2c(n1)N=C(NC2=O)N)C(=O)O	HHS	6-carboxypterin
+COc1cc(ccc1CC(=O)O)Br	HHT	2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid
+c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N	HHV	5-[(pyridin-3-ylmethyl)amino]-1h-pyrazole-4-carboxamide
+c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)/C=C/C(=O)O	HHW	(~{e})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid
+c1ccc(cc1)c2nnc(o2)CCC(=O)O	HHY	3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid
+c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCNC(=O)COCCO	HHZ	[[(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl	HI0	(r)-n-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide
+CC(C)(C)[C@@H](C(=O)N[N@](CCC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)Br)NC(=O)OC	HI1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate 
+Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)NS(=O)(=O)C4CC4)Cc5cc(ccc5F)F	HI3	n-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide
+CCc1ccc2c(c1)c(c(n2Cc3cc(ccc3F)[N+](=O)[O-])C(=O)O)C4=CC=CNC4=O	HI4	5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid
+CCCC(=O)OC[C@H](COP(O)(O)(O)O)OC(=O)CCC	HI5	2-(butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate
+c1cc[n+](c(c1)\C=N\O)COC[n+]2ccc(cc2)C(=O)N	HI6	4-(aminocarbonyl)-1-[({2-[(e)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium
+CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)/C=C/CO	HI9	(2e)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol
+c1c([nH]cn1)C[C@@H](C(=O)N)N	HIA	l-histidine amide
+Cc1c(c(c(c(c1I)O)OC)OC)C(=O)O	HIB	4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoic acid
+Cn1cc(nc1)C[C@@H](C(=O)O)N	HIC	4-methyl-histidine
+c1cc2c(cc1O)c(c[nH]2)CC(=O)O	HID	(5-hydroxy-1h-indol-3-yl)acetic acid
+CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C	HIE	4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide
+CCc1c(c2n3c1C=C4[C@](C(=O)C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)(C)CC)C	HIF	fe(iii)-(4-mesoporphyrinone)
+CCc1nc2c(cc(nc2n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C)C	HIG	2-ethyl-5,7-dimethyl-3-{(1s)-5-[2-(1h-tetrazol-5-yl)phenyl]-2,3-dihydro-1h-inden-1-yl}-3h-imidazo[4,5-b]pyridine
+C[C@@H](Cc1csc(n1)N)C=O	HII	2-methyl-3-(2-aminothiazolo)propanal
+CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)CCCO	HIK	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol
+C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)CCCl)NC(=O)C	HIN	(2s) n-acetyl-l-alanyl-alphal-phenylalanyl-chloroethylketone
+CC(C)N(C(=O)C(=O)O)O	HIO	n-hydroxy-n-isopropyloxamic acid
+c1c(n(c[nH+]1)P(=O)(O)O)C[C@@H](C(=O)O)N	HIP	nd1-phosphonohistidine
+c1c(ncn1C(CO)(CO)O)C[C@@H](C(=O)O)N	HIQ	1-[1,2-dihydroxy-1-(hydroxymethyl)ethyl]-l-histidine
+c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N	HIS	histidine
+c1c([nH+]c[nH]1)C[C@@H](C(=O)[O-])[NH-]	HIS_LEO2	l-histidine c-terminal deprotonated fragment
+c1c([nH+]c[nH]1)C[C@@H](C(=O)O)[NH-]	HIS_LEO2H	l-histidine c-terminal protonated fragment
+c1c(nc[nH]1)C[C@@H](C(=O)O)[NH-]	HIS_LEO2H_DHD1	l-histidine-c-terminal protonated fragment/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H](C(=O)O)[NH-]	HIS_LEO2H_DHE2	l-histidine-c-terminal protonated fragment/with side chain deprotonated ne2
+c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH-]	HIS_LEO2_DHD1	l-histidine-c-terminal deprotonated fragment/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H](C(=O)[O-])[NH-]	HIS_LEO2_DHE2	l-histidine-c-terminal deprotonated fragment/with side chain deprotonated ne2
+c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N	HIS_LFOH	l-histidine free neutral
+c1c(nc[nH]1)C[C@@H](C(=O)O)N	HIS_LFOH_DHD1	l-histidine-free neutral/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H](C(=O)O)N	HIS_LFOH_DHE2	l-histidine-free neutral/with side chain deprotonated ne2
+c1c([nH+]c[nH]1)C[C@@H](C(=O)[O-])[NH3+]	HIS_LFZW	l-histidine free zwitterion
+c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH3+]	HIS_LFZW_DHD1	l-histidine-free zwitterion/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H](C(=O)[O-])[NH3+]	HIS_LFZW_DHE2	l-histidine-free zwitterion/with side chain deprotonated ne2
+c1c([nH+]c[nH]1)C[C@@H]([C-]=O)[NH-]	HIS_LL	l-histidine - linking embedded fragment
+c1c(nc[nH]1)C[C@@H]([C-]=O)[NH-]	HIS_LL_DHD1	l-histidine-linking embedded fragment/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H]([C-]=O)[NH-]	HIS_LL_DHE2	l-histidine-linking embedded fragment/with side chain deprotonated ne2
+c1c([nH+]c[nH]1)C[C@@H]([C-]=O)[NH3+]	HIS_LSN3	l-histidine n-terminal protonated fragment
+c1c(nc[nH]1)C[C@@H]([C-]=O)[NH3+]	HIS_LSN3_DHD1	l-histidine-n-terminal protonated fragment/with side chain deprotonated nd1
+c1c([nH+]c[n-]1)C[C@@H]([C-]=O)[NH3+]	HIS_LSN3_DHE2	l-histidine-n-terminal protonated fragment/with side chain deprotonated ne2
+CC(C)C(C(=O)[C@H](C)C(=O)O)O	HIT	2-(alpha-hydroxyisovaleryl) propionic acid
+C[C@H](CO)C(=O)O	HIU	(2r)-3-hydroxy-2-methylpropanoic acid
+[H]/N=C\NCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	HIW	(2r,4s)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2h-pyrrole-5-ca rboxylic acid
+c1c([nH]nn1)C[C@@H](C(=O)O)N	HIX	3-(1h-1,2,3-triazol-5-yl)-l-alanine
+c1ccc(cc1)COC[C@H](c2csc(n2)NC(=O)Nc3ccc(c(c3)Cl)F)N	HIZ	1-{4-[(1s)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea
+Cc1cc(n[nH]1)NC(=O)c2cn(c3c2c(ncn3)N)C4(CC4)C	HJ0	4-azanyl-7-(1-methylcyclopropyl)-~{n}-(5-methyl-1~{h}-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
+c1cc(c(cc1CCNC(=O)CCN)O)O	HJ1	n-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide
+CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)O)N)C(=O)O	HJ2	(2r)-2-[(r)-{[(6s)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)CCCC[C@@H](C(=O)O)N)C(=O)O)C	HJ3	(2r,4s)-2-[(1r)-1-{[(6s)-6-amino-6-carboxyhexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CC(C)(C)C)O)c5ccc(cc5)N(C)C	HJ4	(8s,11r,13s,14s,17s)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-3-one (non-preferred name)
+C#CC[C@H](CP(=O)([C@H](CCc1ccccc1)[NH3+])O)C(=O)N[C@@H](Cc2ccccc2)C(=O)[NH3+]	HJ5	[(1~{r})-1-[[(2~{s})-2-[[(2~{s})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium
+C(/C(=C/C(=O)C(=O)O)/C(=O)O)C(=O)O	HJ7	(2z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
+CCn1c(c(nn1)O)C[C@@H](C(=O)O)N	HJ8	(2~{s})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid
+B(c1cc(c(cc1C=O)c2c[nH]c3c2cc(cn3)c4cc(cnc4)C(=O)N(C)C)OC)(O)O	HJ9	[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1h-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid
+C1CCC(CC1)CCCCOC(=O)N[C@@H](CN)C(=O)S	HJA	(2s)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic s-acid
+[B-]1(c2c(cccc2CCC(=O)O)CO1)(O)O	HJB	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid
+c1c([nH]cn1)CCNC(=O)CCN	HJD	n-[2-(1h-imidazol-5-yl)ethyl]-beta-alaninamide
+CC1(C[C@H](CO1)c2c(cn3c(n2)c(cn3)c4ccnc(c4)OC)OC)C	HJF	5-[(3s)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine
+CC(C)(c1cccn2c1nnc2C3(CC3)c4ccc(cc4)Cl)O	HJG	2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol
+Cn1nc(c(n1)O)C[C@@H](C(=O)O)N	HJH	(2~{s})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@@H](C(F)F)C(=O)O	HJI	(2r)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
+CC(=CCC/C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/C)C	HJJ	4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7h-furo[3,2-g][1]benzopyran-7-one
+c1cc(cc(c1)c2c3c([nH]cn3)nc(n2)N)CC(=O)O	HJK	2-[3-(2-azanyl-9~{h}-purin-6-yl)phenyl]ethanoic acid
+C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC1=C(C(=O)N=C(N1)N)N	HJL	[(2~{r},3~{s},4~{s})-5-[[2,5-bis(azanyl)-6-oxidanylidene-1~{h}-pyrimidin-4-yl]amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC	HJM	(5beta)-12-methoxyibogamine
+Cc1cc2c(cc1C)N(C3=C(N2C/C=C(/C)\CCC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	HJN	[(2~{r},3~{s},4~{s})-5-[5-[(2~{z})-3,7-dimethylocta-2,6-dienyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{h}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+CC(=O)N[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H]([C@H](C(CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N	HJO	n-[(1r,2r,3r,4s,5s)-4-[(2r,3r,6s)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2r,3r,4r)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide
+CC1=CC(=O)C(=C(O1)C(=O)O)O	HJP	3-hydroxy-6-methyl-4-oxo-4h-pyran-2-carboxylic acid
+CN1CCN([C@@H](C1)CCN2CC[C@@H](C2)c3ccc(cc3)F)C	HJQ	(2~{r})-2-[2-[(3~{r})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine
+C[C@@]1(CO[C@@H](C[C@@H]1NC)O[C@@H]2[C@@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3CCC[C@H](O3)CN)N)NS(=O)(=O)C(F)(F)F)O	HJR	n-[(1r,2r,3r,4s,5r)-4-[(2r,6s)-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2r,4s,5r}-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide
+C(CS(=O)(=O)O)[C@@H](C(=O)O)N	HJT	(2~{s})-2-azanyl-4-sulfo-butanoic acid
+CN[C@H](CCC(=O)N)C(=O)O	HJV	n~2~-methyl-d-glutamine
+CCOC(=O)[C@H](C)N(c1c(cccc1Cl)C)C(=O)c2cccs2	HJW	ethyl (2~{s})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
+CCCCCCCCCCCCCCOc1cccc(c1C(=O)O)O	HJX	2-hydroxy-6-(tetradecyloxy)benzoic acid
+CN[C@H](Cc1ccc(cc1)I)C(=O)O	HJY	4-iodo-n-methyl-d-phenylalanine
+CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4	HJZ	3-[2-(trans-4-methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid
+COc1cc(ccc1[N+](=O)[O-])c2ccc3c(c2)Nc4c(cccc4OCCN5CCOCC5)NC3=O	HK0	3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
+COc1cc2c(cc1OC)-c3c(c([nH]n3)c4ccc(cc4)O)C2	HK1	4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol
+c1ccc(cc1)c2ccc(cc2)OCCCc3cn(nn3)CC4[C@H]([C@@H](C([C@H]([C@@H]4O)[O-])O)O)O	HK2	(1~{s},3~{s},4~{r},6~{r})-2,3,4,6-tetrakis(oxidanyl)-5-[[4-[3-(4-phenylphenoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexan-1-olate
+COC1=CC2=CC3=C(N=NC3=C2C=C1OC)c4ccc(cc4)c5ccc(cc5)O	HK3	4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol
+COc1cc(ccc1O)C#Cc2c3c(n[nH]2)-c4cc(c(cc4C3)OC)OC	HK4	4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol
+COc1cc-2c(cc1Cn3ccnc3)Cc4c2n[nH]c4c5ccc(cc5)C#N	HK5	4-[6-(1h-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile
+c1ccc2c(c1)C(=O)Nc3cc(ccc3N2)Cl	HK6	8-chloro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
+c1ccc(c(c1)c2ccc3c(c2)Nc4ccccc4NC3=O)C(=O)N	HK7	2-(11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-3-yl)benzamide
+c1cc2c(cc1CC(=O)O)NC(=O)c3ccc(cc3N2)Cl	HK8	(3-chloro-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid
+COc1cc(ccc1C(=O)O)c2ccc3c(c2)Nc4ccccc4NC3=O	HK9	2-methoxy-4-(11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid
+COc1cc(ccc1Oc2ccccc2)C(=O)O	HKA	3-methoxy-4-phenoxybenzoic acid
+CN(C)c1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O)c4ccccc4C3=O	HKB	~{n}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-(dimethylamino)benzenesulfonamide
+COc1cc2c(cc1OC)-c3c(c(n[nH]3)c4ccc(cc4)c5[nH]nnn5)C2	HKC	6,7-dimethoxy-3-[4-(1h-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole
+CC1=C(C=C(C(=O)C(=C1)O)O)C(=O)O	HKD	4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
+C[C@@H](C(=O)OC(C)C)N(c1c(cccc1Cl)Cl)C(=O)c2ccco2	HKE	propan-2-yl (2~{s})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
+Cc1c(cccn1)Oc2cc(cnc2Nc3nc(ns3)C4CCN(CC4)C(=O)C)Sc5ccccn5	HKG	1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one
+CC(C)C[C@@H](C(=O)N1C[C@@H]([C@@H]2[C@H]1[C@H](CO2)O)F)NC(=O)c3ccc(cc3)c4cccs4	HKH	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{s},6~{a}~{s})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide
+CCOc1cc2c(cc1NC(=O)CCCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4	HKI	n-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide
+Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)N[C@@H](C)c4ccc(cn4)F)S(=O)(=O)C5COC5	HKJ	n-[(1s)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1h-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1h-pyrrolo[2,3-b]pyridin-6-amine
+CS(=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2	HKK	~{n}-[2-chloranyl-5-(3,6-dihydro-2~{h}-pyran-4-yl)pyridin-3-yl]methanesulfonamide
+CCC1=C(C2=Cc3c(c(c4n3[Fe]56[N]2=C1C=C7N5C8=C(CC(=O)C8=C7C)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC)C)C)C=C)C	HKL	fe(iii) pyropheophorbide-a methyl ester
+Cc1csc(n1)Nc2c(cccn2)Oc3ccccc3C#N	HKM	2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile
+Cc1nc(cn1Cc2ccccc2)S(=O)(=O)Nc3cc(cnc3OC)C4=CCOCC4	HKN	~{n}-[5-(3,6-dihydro-2~{h}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide
+CN[C@H]1[C@@H]([C@H](OC2[C@]1(C2)O)O[C@@H]3[C@@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H](CC[C@H](O4)CN)N)N)NS(=O)(=O)c5cccnc5)O	HKO	n-[(1r,2r,3r,4s,5r)-4-[(2r,3r,6s)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[[(3s,4s,5s,6r)-5-(methylamino)-4,6-bis(oxidanyl)-2-oxabicyclo[4.1.0]heptan-3-yl]oxy]-3-oxidanyl-cyclohexyl]pyridine-3-sulfonamide
+CN1c2cnc(nc2N([C@@H](C1=O)CC3CCCC3)C4CCCC4)Nc5cc(c(c(c5)Cl)O)Cl	HKP	(7r)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5h)-one
+c1ccc(cc1)c2cc(c(nc2)Cl)NS(=O)(=O)c3ccccc3	HKQ	~{n}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide
+CCCn1ccnc1C(=O)O	HKR	1-propylimidazole-2-carboxylic acid
+c1c(cc(c(c1O)O)SC[C@H](C(=O)O)N)C[C@@H](C(=O)O)N	HKS	3-{[(2s)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-l-tyrosine
+CNCc1cc(n(c1)S(=O)(=O)c2cccnc2)c3ccccc3F	HKT	1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{n}-methyl-methanamine
+CC(C)n1ccnc1C(=O)O	HKU	1-propan-2-ylimidazole-2-carboxylic acid
+C(CC(=O)O)C(=O)C=O	HKV	4,5-dioxopentanoic acid
+CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3C)(C)C)CCCCCC(=O)NCc5cn(nn5)C[C@H]6[C@H](C[C@@H]([C@H]([C@@H]6O)O)O)O)C	HKW	6-[3,3-dimethyl-2-[(1~{e},3~{e},5~{e})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{n}-[[1-[[(1~{s},2~{r},3~{r},4~{s},6~{s})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide
+CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)Br)N)S(=O)(=O)c3ccccc3	HKX	n-[6-amino-1-(3-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-n-methylbenzenesulfonamide
+c1cc2c(cc1C(=O)O)CCNC2	HKY	1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
+Cc1c(nc(n1c2c(cccc2Cl)Cl)c3ccco3)Cc4ccccc4	HKZ	1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole
+CCCCCCCCCC(=O)N[C@H]1CCOC1=O	HL0	n-[(3s)-2-oxotetrahydrofuran-3-yl]decanamide
+COc1cc2ccc3c(c2cc1OC)C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N	HL1	(2~{s},3~{r})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{h}-benzo[f]chromen-2-amine
+CC(C)[C@H]([C@@H](C(=O)O)N)O	HL2	(2s,3r)-2-amino-3-hydroxy-4-methylpentanoic acid
+CC[C@@H](C)n1ccnc1C(=O)O	HL3	1-[(2~{r})-butan-2-yl]imidazole-2-carboxylic acid
+CCCC(=O)N[C@H]1CCOC1=O	HL4	n-[(3s)-2-oxotetrahydrofuran-3-yl]butanamide
+C[C@H](C[C@@H](C(=O)O)N)CO	HL5	(2s,4r)-5-hydroxyleucine
+CCCCCC(=O)N[C@H]1CCOC1=O	HL6	n-[(3s)-2-oxotetrahydrofuran-3-yl]hexanamide
+CNC(=O)O[C@H]1CCC[C@@H]1[C@@]2(CN(Cc3c2cccc3)C)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)c7ccncc7	HL7	(1s,2r)-2-[(4s)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate
+Cc1c(nc(n1c2c(ccc(c2Cl)N3CC(C3)C(=O)O)Cl)c4ccc(o4)Cl)C(F)(F)F	HL8	1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid
+c1cnccc1N2CCC(CC2)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4	HL9	5-[(3~{a}~{s},4~{s},6~{a}~{r})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{n}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide
+C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H](CO2)O)O)C(=O)O	HLA	1,5-anhydro-4,6-o-[(1r)-1-carboxyethylidene]-d-galactitol
+CC1(c2ccccc2[N+](=C1C=CC=CC=C3C(c4ccccc4N3C)(C)C)CCCCC(=O)NCCCCCCCCN[C@@H]5C[C@H]([C@@H]([C@H]([C@H]5O)O)O)O)C	HLB	5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{n}-[8-[[(1~{r},2~{s},3~{s},4~{s},5~{r})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide
+c1cc(ccc1OCCCC(=O)N[C@H]2CCOC2=O)Cl	HLC	4-(4-chlorophenoxy)-n-[(3s)-2-oxotetrahydrofuran-3-yl]butanamide
+C1=C(OC(=CC1=O)C(=O)O)C(=O)O	HLD	4-oxo-4h-pyran-2,6-dicarboxylic acid
+CC(C)C[C@@H](C=O)[C@@H](C(=O)NO)O	HLE	3-formyl-2-hydroxy-5-methyl-hexanoic acid hydroxyamide
+C=CCCn1ccnc1C(=O)O	HLF	1-but-3-enylimidazole-2-carboxylic acid
+CC(=O)NCCCNCCCCN	HLG	n-{3-[(4-aminobutyl)amino]propyl}acetamide
+CCCCCCCC1=CC(=O)c2ccccc2N1	HLH	2-heptyl-1~{h}-quinolin-4-one
+CNC1=Nc2c(n(c(n2)c3ccc(cc3)P(=O)(O)O)CCOc4ccc(cc4)Cl)C(=O)N1	HLI	(4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1h-purin-8-yl}phenyl)phosphonic acid
+[H]/N=C/1\N(C=CN1Cc2cc(cc(c2)C(=O)NCc3ccc(c(c3)Cl)Cl)c4ccc(nc4C)F)C	HLJ	n-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2e)-2-imino-3-methyl-2,3-dihydro-1h-imidazol-1-yl]methyl}benzamide
+c1cc(ccc1CNc2cc(nc(c2)N)C(F)(F)F)F	HLK	~{n}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
+c1cn(c(n1)C(=O)O)CCn2ccnn2	HLL	1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid
+C[C@@H](c1cccc(c1)Cl)NC(=O)c2cccc(c2)CNC3=NCCN3	HLM	n-[(1s)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1h-imidazol-2-yl)amino]methyl}benzamide
+CCCCCCP(=O)(O)Oc1ccc2ccccc2c1	HLN	hexyl(naphthalen-2-yloxy)phosphinic acid
+c1c[n+](ccc1C(=O)N)COC[n+]2ccc(cc2\C=N\O)\C=N\O	HLO	1-[({2,4-bis[(e)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]-4-carbamoylpyridinium
+c1cc(oc1Cn2ccnc2)C(=O)O	HLP	5-[(1h-imidazol-1-yl)methyl]furan-2-carboxylic acid
+c1cc(ccc1CCCNc2cc(nc(c2)N)C(F)(F)F)F	HLQ	~{n}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
+c1ccc2c(c1)c(no2)N	HLR	1,2-benzoxazol-3-amine
+COc1cc(cc(c1)OC)CNC(=O)c2ccc(c(c2)CNC3=NCCN3)F	HLS	3-{[(4,5-dihydro-1h-imidazol-2-yl)amino]methyl}-n-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide
+[C@@H](C(F)(F)F)(Cl)Br	HLT	2-bromo-2-chloro-1,1,1-trifluoroethane
+CC(C)[C@@H]([C@@H](C(=O)O)N)O	HLU	beta-hydroxyleucine
+c1ccc2c(c1)c3cc(ccc3o2)OCCN	HLV	2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine
+c1cc(cc(c1)Cl)CCCNCCc2ccnc(n2)n3ccnc3	HLW	3-(3-chlorophenyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
+CC(C)CC[C@@H](C(=O)O)N	HLX	5-methyl-l-norleucine
+C[C@@](CC(=O)NCCCC[C@@H](C(=O)O)N)(CC(=O)O)O	HLY	(3~{r})-5-[[(5~{s})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid
+c1ccc2c(c1)cnnc2NN	HLZ	1-hydrazinophthalazine
+c1cn(c(n1)C(=O)O)C2CCC2	HM0	1-cyclobutylimidazole-2-carboxylic acid
+Cc1c(c(nc(n1)c2ccccn2)NCCc3ccccc3)Cl	HM2	5-chloro-6-methyl-n-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
+c1cnc(cc1Cl)CO	HM3	(4-chloropyridin-2-yl)methanol
+CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2nccs2	HM4	tert-butyl {2-[(1,3-thiazol-2-ylamino)carbonyl]pyridin-3-yl}carbamate
+CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2	HM5	3-[(2,2-dimethylpropanoyl)amino]-n-1,3-thiazol-2-ylpyridine-2-carboxamide
+c1c(cc(nc1C(=O)O)C(=O)O)n2cc(nn2)CO	HM6	4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid
+CSCCC1=N/C(=C(/O)\S)/C(=O)N=C1O	HM7	3-methylthioethane-pyrazinedione
+C[C@H]([C@@H](c1nc(c(o1)O)C(=S)O)N)OS(=O)(=O)O	HM8	2-[(1s,2r)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic o-acid
+C(Cc1c(nc(c(n1)C(=O)S)O)O)CNC(=N)N	HM9	6-(3-carbamimidamidopropyl)-3,5-dihydroxypyrazine-2-carbothioic s-acid
+C[C@@H](C(=O)NO)N	HMA	hydroxyaminoalanine
+COC(CCC(=O)O)O	HMB	(4s)-4-hydroxy-4-methoxybutanoic acid
+C1=C([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO	HMC	5-hydroxymethyl-chonduritol
+C1CNC(=O)C2=NC(=CC2C1C3=NC(=NC3=O)N)Br	HMD	4-(5-amino-4-oxo-4h-pyrazol-3-yl)-2-bromo-4,5,6,7-tetrahydro-3ah-pyrrolo[2,3-c]azepin-8-one
+CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Fe]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C	HME	porphycene containing fe
+c1ccc(cc1)CC[C@H](C(=O)O)N	HMF	2-amino-4-phenyl-butyric acid
+C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O	HMG	3-hydroxy-3-methylglutaryl-coenzyme a
+Cc1ncc(c(n1)N)CO	HMH	4-amino-5-hydroxymethyl-2-methylpyrimidine
+CC(C)C[C@H](C(=O)NO)C(=O)O	HMI	2-hydroxycarbamoyl-4-methyl-pentanoic acid
+CN(C)CCOc1ccc2c(c1)c3ccccc3o2	HMJ	2-[(dibenzo[b,d]furan-2-yl)oxy]-n,n-dimethylethan-1-amine
+c1cc2c(cc1O)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O	HMK	(6ar,12ar)-6h-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromene-3,6a(12ah)-diol
+c1cc(ccc1Cn2ccnc2C(=O)O)C(F)(F)F	HML	1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid
+CN1C(=O)N2CC=C[C@H](N2C1=O)CO	HMM	5-hydroxymethyl-2-methyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
+CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	HMN	2,4,6,7,8,9-hexahydroxy-5-methylcarboxamido nonanoic acid
+COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O	HMO	4'-hydroxy-7-methoxyisoflavone
+CC(C)C[C@H](C(=O)NO)C(=O)O	HMP	1-hydroxyamine-2-isobutylmalonic acid
+C1=C[C@@](C(=CC1=O)CC(=O)O)(O)OO	HMQ	2-[(6r)-6-(dioxidanyl)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanoic acid
+C(C[C@@H](CC(=O)O)N)CNC(=N)N	HMR	beta-homoarginine
+C([C@@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O	HMS	5-o-phosphono-l-ribulose
+CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CC[N@@]5[C@@]2(CCC5)C=C1OC)OCO4)O)O	HMT	(3beta)-o~3~-[(2r)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine
+C1=C(C(=O)NC(=O)N1)CO	HMU	5-hydroxymethyl uracil
+CN(C)CCOc1ccc2c(c1)c3ccccc3[nH]2	HMV	2-[(9h-carbazol-3-yl)oxy]-n,n-dimethylethan-1-amine
+Cc1ccc(cc1Nc2nc(nc(n2)N3CC[C@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HMW	3-[[4-imidazol-1-yl-6-[(3~{r})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+C1CCCN(CC1)c2c(nc(c(n2)N)C(=O)N=C(N)N)Cl	HMX	3-azanyl-5-(azepan-1-yl)-n-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide
+C[C@H]1CC=CC(=O)[C@H]([C@H](C[C@@H]2[C@H](O2)c3cc(cc(c3C(=O)O1)O)OC)O)O	HMY	(1ar,8s,13s,14s,15ar)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6h-oxireno[k][2]benzoxacyclotetradecine-6,12(1ah)-dione
+COc1ccc(c(c1)O)C(=O)CCC(=O)O	HMZ	4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid
+CCCCC[C@H]1[C@H](C[C@@H](O1)O)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2	HN0	2'-deoxy-n-[(2s,3s,5r)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate)
+CCCCC[C@@H]([C@@H]1C[C@H](N2C(=O)c3c(n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)NC2=N1)O)O	HN1	(6s,8r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-8-hydroxy-6-[(1s)-1-hydroxyhexyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one
+c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN2	1-phenyl-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
+Cc1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN3	1-(4-methylphenyl)-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
+CC(C)(C)c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN4	1-(4-tert-butylphenyl)-2-[(1s,2r,5r,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
+CC(C)(C)c1ccc(cc1)CC[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN5	(1s,2r,5s,8r,8ar)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol
+CC(C)(C)c1ccc(cc1)CC[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN6	(1s,2r,5r,8r,8ar)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol
+CC(C)(C)c1ccc(cc1)C(=O)C[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O	HN7	1-(4-tert-butylphenyl)-2-[(1s,2r,5s,8r,8ar)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone
+CO[C@H]1C[C@H]2[C@]3(C=C1)c4cc5c(cc4CN2C[C@@H]3O)OCO5	HN8	haemanthamine
+c1cc(ccc1Cn2ccnc2C(=O)O)O	HN9	1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid
+c1cc2c(c(c1)O)C(=O)c3c(ccc(c3C2=O)[N+](=O)[O-])O	HNA	1,8-di-hydroxy-4-nitro-anthraquinone
+CCCCC[C@@H]1CC[C@H](O1)O	HNB	(2s,5r)-5-pentyltetrahydrofuran-2-ol
+CCCCC[C@H]([C@H](CC=O)SC[C@@H](C(=O)O)N)O	HNC	s-[(1s,2r)-2-hydroxy-1-(2-oxoethyl)heptyl]-l-cysteine
+CCCCC[C@@H](CCCO)O	HND	(4s)-nonane-1,4-diol
+CCCCC[C@H](C=CC=O)O	HNE	(2e,4r)-4-hydroxynon-2-enal
+c1cc-2c(cc1[N+](=O)[O-])Cc3c2ccc(c3)O	HNF	7-nitro-9h-fluoren-2-ol
+c1c(c2c([nH]1)NC(=NC2=O)N)CN	HNG	2-amino-5-(aminomethyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+CN1CCC=C1c2ccc(nc2)O	HNH	5-(1-methyl-4,5-dihydro-1h-pyrrol-2-yl)pyridin-2-ol
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Ni]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O	HNI	protoporphyrin ix containing ni(ii)
+c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccc3N4CCCC4	HNJ	3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1h-1lambda~6~,2-benzothiazole-1,1-dione
+C[N@]1CCC[C@@H]1c2ccc(nc2)O	HNK	5-[(2r)-1-methylpyrrolidin-2-yl]pyridin-2-ol
+C[N@@]1CCC[C@H]1c2ccc(nc2)O	HNL	5-[(2s)-1-methylpyrrolidin-2-yl]pyridin-2-ol
+CNCCCC(=O)c1ccc(nc1)O	HNM	1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one
+CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Mn@@]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=C3C)CC)C	HNN	porphycene containing mn
+CC(C)(C)Nc1cnc2cc(c(cc2n1)Cl)Cl	HNO	n-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine
+C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O	HNP	hydantocidin-5'-monophosphate
+c1cc2c(ccc(c2nc1)O)[N+](=O)[O-]	HNQ	5-nitroquinolin-8-ol
+CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N	HNR	n-(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methyl-benzenesulfonamide
+Cc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O	HNS	3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+c1cc2c(cc1[N+](=O)[O-])CN[C@H](C2)CO	HNT	[(3r)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
+COc1ccc(cc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	HNV	3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-d-mannopyranoside
+c1cc(ccc1C#CCO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	HNW	4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-d-mannopyranoside
+c1ccc2c(c1)cccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N	HNX	(2~{s})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid
+CCc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O	HNY	6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+Cc1ccc(cc1Nc2nc(nc(n2)N3CCNCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HNZ	3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+[Ho]	HO	holmium atom
+c1ccc(cc1)c2ccccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N	HO0	(2~{s})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid
+c1cc(cc(c1)C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3	HO1	3-hydroxy-4-oxo-6-[3-(1h-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid
+CCCCC[C@@H](\C=C\C=C\CCCCCCCC(=O)O)O	HO2	(9e,11e,13s)-13-hydroxyoctadeca-9,11-dienoic acid
+[Ho+3]	HO3	holmium (iii) atom
+C#Cc1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	HO4	5-ethynyl-7-(beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+Cc1ccc(cc1Nc2nc(nc(n2)N3CC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HO5	3-[[4-imidazol-1-yl-6-[(3~{s})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+Cc1ccc(cc1)Sc2c(nns2)C(=O)O	HO6	5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid
+c1cc(ccc1[C@H]2CN3CCSC3=N2)Br	HO7	(6s)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
+Cc1ccc(cc1Nc2nc(nc(n2)N3CCOCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HO8	3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+c1ccc(c(c1)COc2ccc3c(c2)C[C@@](CC3)(C(=O)O)N)c4nc5ccccc5o4	HO9	(2~{s})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{h}-naphthalene-2-carboxylic acid
+NO	HOA	hydroxyamine
+CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCCOC5CC(C(O5)COP(=O)(O)O)O)C)C	HOB	(3alpha,8alpha,14beta,17alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)oxy]propyl}carbamate
+CCCCCC[C@@H](C(=O)O)O	HOC	(2s)-2-hydroxyoctanoic acid
+C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O	HOE	2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+CN(C)C(=O)[C@H]1CCC=C[C@@H]1NC(=O)OCc2ccc(cc2)C(=O)OC	HOF	methyl 4-[[(1s,6s)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate
+c1cc(cc(c1)C(=O)O)C2=CC(=O)C(=C(N2)C(=O)O)O	HOG	6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+O	HOH	water
+CC(=O)N1CCc2c(ccc(n2)OC)[C@@H]1C(=O)Nc3ccc(cc3)OCc4ccccc4OC	HOJ	(5r)-6-acetyl-2-methoxy-n-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide
+Cc1ccc(cc1Nc2nc(nc(n2)N3CCC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HOK	3-[[4-imidazol-1-yl-6-[(3~{s})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCO[C@@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C)C	HOL	alpha-cholest-5-en-3-yl 3-[(2-deoxy-5-o-phosphono-alpha-d-glycero-pentofuranosyl)oxy]propylcarbamate
+CC1=C(C(=O)Oc2c1ccc(c2)O)CCO	HOM	7-hydroxy-4-methyl-3-(2-hydroxy-ethyl)coumarin
+C(C1=NC(=O)NC1=O)[C@@H](C(=O)O)N	HOO	(2~{s})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid
+c1ccc(cc1)[C@H]2CC[C@@H]([C@H](C2)O)c3ccc(cc3)C(=O)NCCCC(=O)O	HOP	(1s,2s,5s)2-(4-glutaridylbenzyl)-5-phenyl-1-cyclohexanol
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)C(C)(C)O)C(=O)O)C	HOQ	(1r)-2-(1-carboxy-2-hydroxy-2-methyl-propyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid
+c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3Cl)C#N)N4CCC[C@H](C4)N	HOR	4-[[(1r,2r)-2-[(3r)-3-azanylpiperidin-1-yl]-2,3-dihydro-1h-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile
+CC/C(=C(\C(=O)N/C(=C/C(=O)O)/C(=O)O)/NC(=O)[C@@H]1C=CCN1C(=O)[C@@H]2[C@@](Oc3cc(cc(c3O)Cl)[C@@H]([C@@H](C(=O)N[C@H](C(=O)N2)C(=C)C)NC)O)(C)CC)/C	HOS	phomopsin a
+Cc1ccc(cc1Nc2nc(nc(n2)N3CCC(CC3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F	HOT	3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide
+Cc1c(cccc1c2nnc(o2)Nc3cccc(c3)CNCCO)c4ccccc4	HOU	2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C)c4ccccc4	HOV	ethyl (4r)-4-[[(2s,3r)-1-[(2s)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
+c1conc1N	HOW	1,2-oxazol-3-amine
+c1cc(ccc1C[C@@H](C(=O)O)N)N	HOX	4-amino-l-phenylalanine
+C(CC(=O)O)[C@@H](CN)N	HOZ	(4s)-4,5-diaminopentanoic acid
+c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)O)O)N	HP0	(3s,4as,8as)-2-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid
+Cn1ccnc1C(=O)Nc2cn(c(c2O)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C	HP1	~{n}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C	HP2	hydroxypyrrole-imidazole-pyrrole polyamide
+C[C@H](CO)O	HP3	2,3-propandiol
+[O-][PH2]=O	HP4	phosphinate
+Cc1c2n3c(c1C(=C)OO)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C	HP5	peroxidized heme form 2
+CCCCCCC	HP6	heptane
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O	HP7	(2s,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid
+c1cc(c(c(c1)O)O)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	HP8	5'-o-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine
+c1[nH]c2c(n1)N=CNC2=O	HPA	hypoxanthine
+C[C@H]([C@H](Cc1ccccc1)N)O	HPB	2-hydroxy-3-amino-4-phenyl butane
+CC(=O)[C@H](Cc1ccccc1)N	HPC	3-amino-4-phenyl-butan-2-one
+C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)O	HPD	1-hydroxy-pentane-3,4-diol-5-phosphate
+c1ccc(cc1)CC[C@@H](C(=O)O)N	HPE	homophenylalanine
+c1ccc(c(c1)N[C@@H]([C@@H](COP(=O)(O)O)O)O)O	HPF	1-[(2-hydroxylphenyl)amino]3-glycerolphosphate
+C(CO)CO	HPG	hydroxypropyloxy group
+c1ccc(cc1)C[C@@H](C(O)O)N	HPH	(2s)-2-amino-3-phenylpropane-1,1-diol
+c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)O)C(=O)N	HPI	n-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine
+COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)N3O)c4ccccc4	HPJ	1-hydroxy-6-[1-(3-methoxypropyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1h)-one
+c1ccc(cc1)C(=O)C\C=C\C(=O)C(=O)[O-]	HPK	(3e)-2,6-dioxo-6-phenylhex-3-enoate
+CCCCCCCNC=O	HPL	heptylformamide
+COc1cc2c(cc1OC[C@H](CN3CCCCC3)O)ncnc2Nc4cnc(nc4)NC(=O)c5ccccc5	HPM	n-{5-[(7-{[(2s)-2-hydroxy-3-piperidin-1-ylpropyl]oxy}-6-methoxyquinazolin-4-yl)amino]pyrimidin-2-yl}benzamide
+CCCCCCC(=O)N	HPN	heptanamide
+CCCCCC(=O)CP(=O)(O)O	HPO	2-oxoheptylphosphonic acid
+c1cc(ccc1CCC(=O)O)O	HPP	hydroxyphenyl propionic acid
+CC(=O)[C@H](CCc1ccccc1)N	HPQ	homophenylalaninylmethane
+c1nc2c(c(n1)O)NCN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	HPR	6-hydroxy-7,8-dihydro purine nucleoside
+c1ccc(cc1)OP(=O)(O)O	HPS	phenyl dihydrogen phosphate
+CC1=C(NC(=O)NC1=O)CCCO	HPT	6-hydroxypropylthymine
+CS(=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)c3ccccc3	HPU	n-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide
+C(C(=O)C(=O)O)OP(=O)(O)O	HPV	2-oxo-3-(phosphonooxy)propanoic acid
+CS(=O)(=O)Nc1cc(cc(c1)NS(=O)(=O)C)C2=CC(=CC(=O)N2O)c3ccccc3	HPW	n-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide
+c1ccc(cc1)C(=O)/C=C/C=C(/C(=O)O)\O	HPX	(2z,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
+C1=CNC(=O)N[C@H]1O	HPY	4-hydroxy-3,4-dihydro-1h-pyrimidin-2-one
+c1ccc(cc1)C(=O)\C=C\C=C(/C(=O)O)\O	HPZ	(2e,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
+CCCCCCCc1cc(c2ccccc2[n+]1[O-])O	HQ	2-heptyl-1,4-dihydroxy-quinolinium
+Cc1cnc(n1CCC=C)C(=O)O	HQ0	1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid
+c1cc(c2c(c1C(=O)O)cc(cn2)N3CCNCC3)O	HQ2	8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid
+Cc1cnc(n1Cc2ccccc2)C(=O)O	HQ3	5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)N	HQ5	 5'-o-(n-(l-leucyl)-sulfamoyl)cytidine
+CC(=O)N[C@H]1[C@@H](CN[C@@H]([C@H]([C@@H]1O)O)CO)O	HQ6	n-[(3r,4s,5r,6r,7r)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide
+CC1(CCc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)CCCC(=O)O)OC)F)C	HQ7	5-[(5r)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1h-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5h)-yl]-5-oxopentanoic acid
+C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O	HQ8	(1~{r},2~{s},4~{s},5~{r})-cyclohexane-1,2,3,4,5-pentol
+C1=CC(=O)C=C([C@H]1O)CC(=O)O	HQ9	2-(6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)ethanoic acid
+c1cc2cc(cnc2c(c1)O)C[C@@H](C(=O)O)N	HQA	3-(8-hydroxyquinolin-3-yl)-l-alanine
+CNc1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-]	HQB	~{n}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
+c1cc2ccc(nc2c(c1)O)C(=O)NCCCC[C@@H](c3cccs3)C(=O)N[C@@H](CC(=O)O)C=O	HQC	3-{6-[(8-hydroxy-quinoline-2-carbonyl)-amino]-2-thiophen-2-yl-hexanoylamino}-4-oxo-butyri acid
+CC1=C(C(=O)c2ccccc2N1)O	HQD	3-hydroxy-2-methylquinolin-4(1h)-one
+c1cc(ccc1O)O	HQE	benzene-1,4-diol
+c1cc2c(cc1Cn3ccnc3C(=O)O)sc(n2)N	HQF	1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)OP(=O)(O)O)O)O)O)O)N	HQG	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O	HQH	piericidin a
+CC(=O)Nc1ccc(c2c1cccn2)O	HQI	n-(8-hydroxyquinolin-5-yl)acetamide
+c1cc(cc(c1)Cl)c2c[nH]cn2	HQJ	4-(3-chlorophenyl)-1h-imidazole
+CC(C)(C)c1ccc(cc1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl	HQK	pyridaben
+c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCc4[nH]nnn4	HQL	4-(benzhydryloxy)-1-[3-(1h-tetraazol-5-yl)propyl]piperidine
+Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)C3CCCCC3)[C@H]4C[C@H]4C(=O)O	HQM	(1r,2s)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid
+c1cc(c(cc1O)O)O	HQN	benzene-1,2,4-triol
+CCCCCCCc1cc(c2ccccc2[n+]1[O-])O	HQO	2-heptyl-4-hydroxy quinoline n-oxide
+c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)C#N)Nc4cc([nH]n4)C5CC5	HQP	4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-diene-1-carbonitrile
+CC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)Oc3ccccc3	HQQ	5-methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione
+Cc1cn(c(n1)C(=O)O)CCC=C	HQR	1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid
+c1cc(c(cc1N/C(=N\O)/c2c(non2)SCCNS(=O)(=O)N)Br)F	HQS	n-(3-bromo-4-fluorophenyl)-n'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide
+c1ccc2c(c1)C=CN(C2=S)O	HQT	2-hydroxyisoquinoline-1(2h)-thione
+c1ccc2c(c1)cc(c(n2)C(=O)O)O	HQU	3-hydroxyquinaldic acid
+C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	HQV	(2s,3r,4r,5s,6r)-3-[(2e)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+CC1=C(OC(=C(C1=O)C)OC)[C@H]2C/C(=C/C(=C/c3ccc(cc3)[N+](=O)[O-])/C)/CO2	HQW	aureothin
+c1cc2cccnc2c(c1)O	HQY	quinolin-8-ol
+[B-]([C@@H](C)NS(=O)(=O)C)(O)(O)O	HQZ	trihydroxy{(1s)-1-[(methylsulfonyl)amino]ethyl}borate(1-)
+Cc1c(c2nc(c3cccnc3n2n1)O)C#N	HR0	5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
+CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccccc4)c5ccc(cc5)F)CC[C@H](C[C@H](CC(=O)O)O)O	HR1	(3r,5r)-7-[1-(4-fluorophenyl)-3-isopropyl-4-oxo-5-phenyl-4,5-dihydro-3h-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoic acid
+CC(C)n1c(c(c2c1C(=O)N(CCC2)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O	HR2	(3r,5r)-7-[3-(4-fluorophenyl)-1-isopropyl-8-oxo-7-phenyl-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptanoic acid
+COc1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O	HR3	5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid
+c1cc(ccc1CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)S)O)N)F	HR4	(2s,4ar,6r,7r,7as)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9h-purin-9-yl}-2-sulfanyltetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide
+Cc1c(cnn1C)C(=O)NCC2CCC2	HR5	~{n}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide
+c1ccc(cc1)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)S)O)N	HR6	(2s,4ar,6r,7r,7as)-6-[6-amino-8-(benzylsulfanyl)-9h-purin-9-yl]-2-sulfanyltetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide
+C(C[C@@H](CC(=O)O)N)CN=C(N)N	HR7	(3s)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid
+CC(C)CNC(=O)c1cc(ccc1OC)Cl	HR8	5-chloranyl-2-methoxy-~{n}-(2-methylpropyl)benzamide
+c1ccc(cc1)CCCCNc2cnc(cc2C(=O)O)C(=O)O	HR9	5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid
+c1ccc(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c3c(ncn4)N[C@@H]5CC[C@H](OC5)CO	HRA	1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-d-erythro-hexitol
+CCCCC[C@@H]1[C@H](C[C@@H](O1)O)n2cc(nc2)C[C@@H](C(=O)O)NC(=O)C	HRB	n-acetyl-1-[(2r,3s,5r)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]-l-histidine
+Cc1cc(cc(c1NS(=O)(=O)c2ccccc2)C)O	HRC	n-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
+CNc1[nH]c2cc3c(cc2n1)N=C(NC3=O)NC	HRD	2,6-bis(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CC(C)c1c2c(nn1c3cnc(nc3OC)N(C)C)C(=O)N([C@H]2c4ccc(cc4)C#N)C5=CC(=CNC5=O)Cl	HRE	4-[(4~{s})-5-(5-chloranyl-2-oxidanylidene-1~{h}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{h}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile
+c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O	HRF	5-(benzylamino)pyridine-2,4-dicarboxylic acid
+C(CCNC(=N)N)C[C@@H](C(=O)O)N	HRG	l-homoarginine
+Cc1cc(ccc1[C@H]2c3c([nH]nc3C(C)C)C(=O)N2c4cccc(c4F)Cl)Cl	HRH	(4~{s})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
+CC(C)CC(C(=O)O)Cl	HRI	alpha-chloroisocaproic acid
+Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(=O)O)O)C3=NOC(=O)N3	HRJ	3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O	HRK	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol
+COc1ccccc1CNc2cnc(cc2C(=O)O)C(=O)O	HRL	5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid
+Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC	HRM	7-methoxy-1-methyl-9h-beta-carboline
+C[C@@H](c1ccc(cc1Cl)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cc(ccc5N6CCC(CC6)N7CCCOC7=O)C(=O)O)Cl)c8ccccc8	HRN	3-[[6-chloranyl-3-[3-[(1~{s})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{h}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid
+C1(=C(NC(=O)NC1=O)C(=O)O)Cl	HRO	5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc2c(cc1O)c(c[nH]2)C[C@H](C(=O)O)N	HRP	5-hydroxy-l-tryptophan
+Cc1ccc(cc1)N2CC[C@@H](C2)NC(=O)c3c[nH]c4c3cccc4OC	HRQ	7-methoxy-~{n}-[(3~{s})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{h}-indole-3-carboxamide
+c1ccc(c(c1)CNc2cnc(cc2C(=O)O)C(=O)O)C3CC3	HRR	5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid
+c1cc(ccc1NS(=O)(=O)c2ccc(s2)Br)N(=O)=O	HRS	5-bromo-n-(4-nitrophenyl)thiophene-2-sulfonamide
+C[C@@H](c1cccc(c1)Cl)N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5)Cl	HRT	(4~{s})-4-(4-chlorophenyl)-5-[(1~{s})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{h}-pyrrolo[3,4-d]imidazol-6-one
+CC(C)C12C3[Ru]14567(C3C4(C5C62)C)[NH2+]CC[NH2+]7	HRU	(ethane-1,2-diamine-kappa~2~n,n')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium
+C[C@]1([C@@H](OCC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3c(cc(cn3)Cl)Cl	HRV	n-{3-[(2r,3r)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2h-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide
+Cc1cc(nc(n1)SCC(=O)/N=C\2/NC=C(S2)Cc3cccc(c3)C(F)(F)F)C	HRW	2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-n-[(2z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3h)-ylidene]acetamide
+c1cc(cnc1)CCC(O)(P(=O)(O)O)P(=O)(O)O	HRX	[1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid)
+CN1C=C(C=CC1=O)c2ccc3c(c2)c(nc(n3)N4CCN(CC4)CCN(C)C)NCc5cccc(c5)Cl	HRY	5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1h)-one
+C1=CC(=O)NC=C1	HRZ	1~{h}-pyridin-2-one
+c1c(cc2c(c1N)cn[nH]2)Br	HS0	6-bromanyl-1~{h}-indazol-4-amine
+COc1ccc(cc1)S(=O)(=O)[N@@](C[C@@H](CO)O)CC(=O)N=O	HS1	2-[[(2s)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-n-oxo-ethanamide
+COc1ccc(cc1)S(=O)(=O)N[C@H](CO)C(=O)N=O	HS3	(2r)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-n-oxo-propanamide
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCC(=O)NO	HS4	n-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide
+c1cc(ccc1F)S(=O)(=O)N(CCO)CC(=O)N=O	HS5	2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-n-oxo-ethanamide
+c1cc(ccc1F)S(=O)(=O)NCC(=O)N=O	HS6	2-[(4-fluorophenyl)sulfonylamino]-n-oxo-ethanamide
+c1ccc(cc1)S(=O)(=O)NCC(=O)N=O	HS7	n-oxo-2-(phenylsulfonylamino)ethanamide
+c1c([nH+]cn1S(=O)(=O)O)C[C@@H](C(=O)O)N	HS8	3-(1-sulfo-1h-imidazol-3-ium-4-yl)-l-alanine
+CN[C@@H](Cc1c[nH]cn1)C(=O)N	HS9	n-alpha-methyl-l-histidinamide
+c1c(nc[nH]1)CC(COP(=O)(O)O)N	HSA	phosphoric acid mono-[2-amino-3-(3h-imidazol-4-yl)-propyl]ester
+CCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O	HSC	(s)-3-hydroxydecanoyl-coa
+C1=C([C@H]([C@@H]([C@H]([C@@H]1N)O)O)O)CO	HSD	(1s,2s,3r,6r)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
+C(CO)[C@@H](C(=O)O)N	HSE	l-homoserine
+CCCCCCCCCCCCCCCCS(=O)(=O)F	HSF	1-hexadecylsulfonyl fluoride
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O	HSG	octyl alpha-l-altropyranoside
+CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	HSH	octyl beta-d-galactopyranoside
+CCCCCC[C@H](CC(=O)O)C(=O)c1ccc(cc1)C#Cc2ccc(cc2)Cl	HSI	(3r)-3-{4-[(4-chlorophenyl)ethynyl]benzoyl}nonanoic acid
+CCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O	HSJ	octyl beta-l-talopyranoside
+c1c(n(cn1)O)C[C@@H](C(=O)O)N	HSK	3-hydroxy-l-histidine
+C1COC(=O)[C@H]1N	HSL	homoserine lactone
+c1c(nc[nH]1)CCN	HSM	histamine
+c1c([nH+]c[nH]1)C[C@@H](CO)N	HSO	l-histidinol
+c1ccc(c(c1)O)[S@](=O)CCCCP(=O)(O)O	HSP	4-(2-hydroxyphenylsulfinyl)-butylphosphonic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O	HSQ	2-acetylamino-2-deoxy-alpha-l-idopyranose
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	HSR	2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+c1c([nH]cn1)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	HSS	5'-o-[(l-histidylamino)sulfonyl]adenosine
+CCCCCC(CCCCC)Sc1c(nn[nH]1)C(=O)O	HST	4-carboxy-5-(1-pentyl)hexylsulfanyl-1,2,3-triazole
+C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O	HSU	beta-d-ribofuranose
+c1c([nH+]c[nH]1)C[C@@H](C=O)N	HSV	l-histidinal
+NS(=O)(=O)NO	HSW	n-hydroxysulfamide
+C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O	HSX	5-o-phosphono-alpha-d-ribofuranose
+C1[C@@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O	HSY	alpha-l-xylopyranose
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	HSZ	beta-d-xylopyranose
+CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O	HT	2'-(4-hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(CC6)C	HT1	2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C(=N)N)C(=N)N	HT2	5-amidino-2-[2-(4-amidinophenyl)-5-benzimidazolyl]benzimidazole
+CCCC[C@@H]([C@@H](CO)O)O	HT3	(2r,3s)-heptane-1,2,3-triol
+Cc1ccc(c(c1)S)O	HT4	4-methyl-2-sulfanylphenol
+CCCCCCCCCC(=O)N[C@H]1CCSC1=O	HT5	(4s)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2h-thiophenium
+CCCCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	HT6	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol
+c1ccc2c(c1)c(c[nH]2)C[C@@H](CC(=O)O)N	HT7	(3s)-3-amino-4-(1h-indol-3-yl)butanoic acid
+c1ccc2cc(ccc2c1)C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3	HT8	(5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)NC	HTA	n-[3-(n'-hydroxycarboxamido)-2-(2-methylpropyl)-propanoyl]-o-tyrosine-n-methylamide
+c1ccc2c(c1)cc(o2)CNCCCCCCCNc3c4ccccc4nc5c3CCCC5	HTB	n-(1-benzofuran-2-ylmethyl)-n'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
+c1cc(c(cc1C(=O)O)O)NS(=O)(=O)c2ccsc2C(=O)O	HTC	3-{[(4-carboxy-2-hydroxyaniline]sulfonyl}thiophene-2-carboxylic acid
+Cc1ncc2c(n1)N[C@@H]3[N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C	HTD	2-[(9ar)-2,7-dimethyl-9a,10-dihydro-5h-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl]ethyl trihydrogen diphosphate
+c1ccc(cc1)C2=N[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)N2	HTE	(5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
+CCCCCCCC(=O)N[C@H]1CCOC1=O	HTF	n-(2-oxotetrahydrofuran-3-yl)octanamide
+CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	HTG	heptyl 1-thio-beta-d-glucopyranoside
+CCCC[C@H]([C@H](CO)O)O	HTH	(2s,3r)-heptane-1,2,3-triol
+C([C@@H](C(=O)O)N)[C@H](O)SC[C@@H](C(=O)O)N	HTI	(4s)-4-{[(2s)-2-amino-3-oxopropyl]sulfanyl}-l-homoserine
+c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O	HTJ	6-phenyl-1-(pyridin-4-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+C[C@@H](CC(=O)CC(=O)CC(=O)c1ccccc1)O	HTK	(7s)-7-hydroxy-1-phenyloctane-1,3,5-trione
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O	HTL	2-acetyl-thiamine diphosphate
+CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1OCCCO)C(=O)O)O	HTM	3-hydroxypropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid
+CNC(=O)[C@@H]([C@H](C(=O)O)N)O	HTN	(3r)-3-hydroxy-n-methyl-d-asparagine
+CCCC[C@H]([C@@H](CO)O)O	HTO	heptane-1,2,3-triol
+c1c2[n+]([nH]n1)[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	HTP	4,5,6-trihydroxy-7-hydroxymethyl-4,5,6,7-tetrahydro-1h-[1,2,3]triazolo[1,5-a]pyridin-8-ylium
+CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](c3ccccc3)O	HTQ	homotropine
+c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](C(=O)O)N)O	HTR	beta-hydroxytryptophane
+c1ccc(c(c1)O)S	HTS	2-mercaptophenol
+CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nc4)CC=CN5O)Cl	HTT	7-({4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4h)-ol
+c1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C5(CCC5)O	HTV	1-o-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1h-indole-3-carbonyl}-beta-d-glucopyranuronic acid
+c1ccc2c(c1)cccc2C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3	HTW	(5~{s},7~{r},8~{s},9~{s},10~{r})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
+CCCCCC(=O)C	HTX	heptan-2-one
+c1cc(ccc1[C@H]([C@H](C(=O)O)N)O)O	HTY	(betar)-beta-hydroxy-d-tyrosine
+CN(C)CCCN(C)[C@H]1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5CO)Cl)c6ccccc6	HTZ	[6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{h}-indol-2-yl]-[(3~{s})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone
+c1cc(ccc1CNc2cc(cc3c2cn[nH]3)Br)O	HU0	4-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]phenol
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC4CCC4)C(=O)C(=O)N)C	HU1	tert-butyl {(1s)-2-[(1r,2s,5s)-2-({[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino}carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate
+CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C/C=C/CC(C)C)C(C)C	HU2	(2s)-({n-[(3s)-3-({n-[(2s,4e)-2-isopropyl-7-methyloct-4-enoyl]-l-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)aceti c acid
+c1c(cc(c2c1[nH]nc2)NC[C@H]3CCCC[C@@H]3O)Br	HU3	(1~{s},2~{r})-2-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
+CC1([C@H]2[C@@H](O1)CN([C@@H]2C(=O)N[C@@H](CC3CCC3)C(=O)C(=O)N)C(=O)[C@H](C4CCCCC4)NC(=O)OC(C)(C)C)C	HU4	tert-butyl {(1s)-2-[(1r,2s,5r)-2-({[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]amino}carbonyl)-7,7-dimethyl-6-oxa-3-azabicyclo[3.2.0]hept-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC3CCC3)C(=O)C(=O)N)C	HU5	(1r,2s,5s)-n-[(1s)-3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2s)-2-{[(tert-butylamino)carbonyl]amino}-3,3-dimet hylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br	HU6	(1~{r},2~{s})-2-[[(6-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
+CN(C)c1ccc(c(n1)OC)c2cc3c(cc2Cl)[nH]cc3C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O	HU7	1-o-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1h-indole-3-carbonyl}-beta-d-glucopyranuronic acid
+CC(C)(C)NC(=O)Cc1ccc(cc1n2c(c(nc2C3CCCCC3)c4[nH]nnn4)c5ccc(c(c5)Cl)F)Cl	HU8	~{n}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{h}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide
+c1cc(c(c2c1[nH]nc2)NC[C@@H]3CCCC[C@H]3O)Br	HU9	(1~{r},2~{s})-2-[[(5-bromanyl-1~{h}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
+CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4	HUB	huperzine b
+c1c(cc(c2c1[nH]nc2)NC[C@@H]3CCCC[C@@H]3Cl)Br	HUC	6-bromanyl-~{n}-[[(1~{s},2~{s})-2-chloranylcyclohexyl]methyl]-1~{h}-indazol-4-amine
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)N)O)C	HUD	tert-butyl {(2s)-1-[(1r,2s,5s)-2-{[(2s,3r)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
+C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)NCCN5CCN(CC5)C6CCCCC6)Cl)c7ccccc7	HUE	6-chloranyl-3-[3-[(1~{s})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{n}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{h}-indole-2-carboxamide
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C=O	HUF	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4s)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1h-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+c1cc(ccc1c2c(cc3c(c2F)c(c[nH]3)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F)[C@@H]5CCCCO5	HUG	1-o-(4,6-difluoro-5-{4-[(2s)-oxan-2-yl]phenyl}-1h-indole-3-carbonyl)-beta-d-glucopyranuronic acid
+c1cnn[nH]1	HUH	1~{h}-1,2,3-triazole
+C[C@@H](CO)C(=O)O	HUI	(2s)-2-methyl-3-oxidanyl-propanoic acid
+B(C(CC(C)C)NC(=O)c1cn(nn1)CCNC(=O)c2ccc(c(c2OC)OC)OC)(O)(O)O	HUJ	[(1r)-3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron
+CCCC[NH+](C)[C@@H](Cc1c[nH]c2c1cccc2)C[NH+](C)CCC3CCCCCC3	HUK	butyl-[(2~{s})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{h}-indol-3-yl)propan-2-yl]-methyl-azanium
+COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O	HUL	5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4h-chromen-4-one
+C[C@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C	HUM	(2s)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+CCCC[NH2+][C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3	HUN	butyl-[(2~{s})-1-(2-cycloheptylethylamino)-3-(1~{h}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](C(C)C)NC(=O)OCc4ccccc4	HUO	(phenylmethyl) n-[(2s)-1-[[(2s)-1-[[(2s)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
+C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3	HUP	huperzine a
+CCCC[N+](C)(C)[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3	HUQ	butyl-[(2~{s})-1-(2-cycloheptylethylamino)-3-(1~{h}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c2nc3ccccc3s2)NC(=O)c4cc5c([nH]4)cccc5OC	HUR	n-[(2s)-1-[[(2s)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3s)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCCC3CCCCCC3	HUT	(2~{s})-2-(butylamino)-~{n}-(3-cycloheptylpropyl)-3-(1~{h}-indol-3-yl)propanamide
+CCc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F	HUU	6-chloranyl-2-ethyl-n-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
+COC(=O)c1ccc2c(c1)ccn2[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	HUV	methyl 1-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-d-erythro-pentofuranosyl}-1h-indole-5-carboxylate
+c1cc2c(cc1Cl)nc3c(c2N)[C@H]4C[C@@H](C3)C=C(C4)CCO	HUW	huprine w
+CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)N)[C@@H](C2)C1	HUX	3-chloro-9-ethyl-6,7,8,9,10,11-hexahydro-7,11-methanocycloocta[b]quinolin-12-amine
+CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F	HUY	1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one
+CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCC(CC3)N(C)C	HUZ	(2~{s})-2-(butylamino)-~{n}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{h}-indol-3-yl)propanamide
+Cc1c(c2cc(ccn2n1)OC)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F	HV0	5-methoxy-2-methyl-~{n}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
+CC(C)(C)[C@@H](C(=O)NN(Cc1ccc(cc1)Br)C(=O)CC[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	HV1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate 
+C1C(CS1(=O)=O)O	HV2	1,1-bis(oxidanylidene)thietan-3-ol
+C#CCOc1ccc(cc1)/C=C\2/C(=O)NC(=S)S2	HV4	(5z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
+CC(C)(C)[C@@H](C(=O)O)N	HV5	tert-butylalanine
+COc1ccc(c(c1)O)C(=O)/C=C(/C(C(F)(F)F)(F)F)\O	HV6	(z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one
+COc1ccc(c(c1)O)CN	HV7	1-methylamine-2-hydroxy-4-methoxy-benzene
+COc1ccc(cc1)CN[C@H]([C@@H]([C@H](Cc2ccccc2)N)O)C(=O)O	HV8	benzyl-2-amino-paramethoxy-benzylstatine
+Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCN(CC2)c3nccc(n3)C(F)(F)F	HV9	4-methyl-n-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide
+CC(C)([C@@H](C(=O)O)N)O	HVA	3-hydroxy-l-valine
+CCC(=[NH2+])N	HVB	1-azanylpropylideneazanium
+CCCCCc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O	HVD	(1'r,2'r)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol
+c1c[nH]c2c1c(ncn2)N3CCC(CC3)C[NH3+]	HVE	[1-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium
+C/C=C/C1C=C[C@@H]2C[C@@H](CC[C@H]2[C@]1(C)C(=O)C3=C([C@H](N(C3=O)C)CO)O)C	HVF	equisetin
+c1cc(c(cc1[C@@H](C(=O)O)N)C(=O)O)C(=O)O	HVG	4-[(s)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid
+CN1CCc2cc(ccc2C1)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5	HVH	~{n}-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1~{h}-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
+Cc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O	HVJ	(1'r,2'r)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol
+c1ccnc(c1)N	HVK	pyridin-2-amine
+C[C@@]1(CCCC(O1)(C)C)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)O)C)O)C	HVL	(3r,5r,6s,8r,9r,10r,12r,13r,14r,17s)-4,4,8,10,14-pentamethyl-17-[(2r)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6,12-triol
+c1cc(cc(c1)N)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3	HVM	(2e)-n-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide
+Cc1c(c(n(n1)C)C)c2cccc3c2[nH]c(c3CCCO[C@@H]4CCCc5c4cccc5)C(=O)O	HVN	3-[3-[[(1~{r})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{h}-indole-2-carboxylic acid
+CC(=O)c1ccc(cc1)Oc2ccc(c(c2)C(C)(C)C)O	HVO	1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone
+c1ccc(c(c1)S(=O)(=O)O)S(=O)(=O)F	HVP	2-(fluorosulfonyl)benzene-1-sulfonic acid
+c1cscc1C[NH3+]	HVQ	thiophen-3-ylmethylazanium
+CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)C#CCO	HVR	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol
+C/C(=C\C(=O)C(=O)O)/C=C(/c1ccccc1)\[O-]	HVS	(1z,3e)-5-carboxy-3-methyl-5-oxo-1-phenylpenta-1,3-dien-1-olate
+CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccc3ccccc3c2	HVT	(3~{s},7~{s},8~{s})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione
+CN1CCC(CC1)c2c[nH]c3c2cc(cc3)O	HVU	3-(1-methylpiperidin-4-yl)-1h-indol-5-ol
+C/C=C/C/C=C/CC[C@]1([C@H](CC(=O)N1)O)O	HVV	(4s,5r)-4,5-dihydroxy-5-[(3e,6e)-octa-3,6-dien-1-yl]pyrrolidin-2-one
+CC(C)C[C@@H](C(=O)NCC=C)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)C)C(F)(F)F	HVW	(2~{s})-4-methyl-~{n}-prop-2-enyl-2-[[(1~{s})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
+CCCCOc1ccc(cc1CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)C[C@H](CC)C(=O)O	HVX	(2s)-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid
+CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5c(cccc5Cl)C	HVY	n-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide
+CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Cl)S(=O)=O	HVZ	~{n}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(n3)N	HW0	6-{[(3r,4r)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C	HW1	6-[5-({(3r,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine
+c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O	HW2	isoquercetin
+CC[C@@H](Cc1ccc(c(c1)C(=O)NCc2ccc(c(c2)F)Oc3ccc(cc3)F)OC)C(=O)O	HW3	(2s)-2-[[3-[[3-fluoranyl-4-(4-fluoranylphenoxy)phenyl]methylcarbamoyl]-4-methoxy-phenyl]methyl]butanoic acid
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCCCc3cccc(c3)F	HW4	6-{[(3s,4s)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCC=Cc3cccc(c3)F	HW5	6-{[(3s,4s)-4-{[(4e)-5-(3-fluorophenyl)pent-4-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cc(cc(c3)Cl)F	HW6	6-{[(3r,4r)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCOc3cc(cc(c3)Cl)F	HW7	6-({(3r,4r)-4-[4-(3-chloro-5-fluorophenoxy)butoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3	HW8	4-methyl-6-{[(3r,4r)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine
+Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C	HW9	4-methyl-6-{[(3r,4r)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine
+CC1=CC(=O)C(=C(N1)C(=O)O)O	HWA	3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O	HWB	cyanidin
+C1=CN(C(=O)NC1=O)C[C@@H](C(=O)O)N	HWD	2-amino-3-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
+CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccccc2	HWE	(3~{s},7~{s},8~{s})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione
+Cc1cc(cc(c1)C(=O)N(C(C)(C)C)NC(=O)c2ccc3c(c2C)OCCO3)C	HWG	n-(tert-butyl)-3,5-dimethyl-n'-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]benzohydrazide
+CC(=O)NCCc1c[nH]c2c1cc(cc2)F	HWH	~{n}-[2-(5-fluoranyl-1~{h}-indol-3-yl)ethyl]ethanamide
+CCc1c(c(nc(n1)N)N)OCCCOc2cc(ccc2N3CC(C3)C(=O)O)C	HWI	1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid
+Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(=O)O)O)c3[nH]nnn3	HWJ	3-hydroxy-6-[2-methyl-4-(1h-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid
+c1ccc(c(c1)CCC2Oc3ccccc3O2)C(=O)O	HWK	2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid
+CC1=CC(=O)C(=CN1c2ccc(cc2)c3[nH]nnn3)O	HWM	5-hydroxy-2-methyl-1-[4-(1h-tetrazol-5-yl)phenyl]pyridin-4(1h)-one
+CC(C)(C)C1=Sc2c(nc(nc2N(C)CCC#N)N(C)[C@H]3CCN(C3)C)C1	HWN	3-[[6-~{tert}-butyl-2-[methyl-[(3~{s})-1-methylpyrrolidin-3-yl]amino]-7~{h}-thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
+CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3	HWQ	3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
+C/C/1=C\C2=O[Fe]345(O=C(N(O3)CCC[C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)/C=C(\C)/CCO)O=C(N(O5)CCC[C@@H](C(=O)OCC1)NC(=O)C)/C=C(\C)/CCO	HWS	coprogen
+CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N	HWT	3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	HWU	(2r,3r,4r,5r,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-thiopyran-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cc(cc4C)F)C)C(C)(C)O)C	HWV	n-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide
+CC(C)(C)c1cc2c(s1)c(nc(n2)N(C)CCCN(C)C)N(C)CCC#N	HWW	3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
+C[C@H](C(=O)NO)NC(=O)[C@H](CCNCC(=O)O)NC(=O)C	HWX	2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC(=O)N3c4ccccc4)O)S(=O)(=O)c5ccc(cc5)OC	HWY	(3as,5r,6ar)-2-oxo-3-phenylhexahydro-2h-cyclopenta[d][1,3]oxazol-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N	HWZ	3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile
+CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC	HX0	n,n,n-trioctyloctan-1-aminium
+C[C@H](CC[C@@H](C)O)O	HX2	(2r,5r)-hexane-2,5-diol
+c1cc(c(cc1NN)Cl)Cl	HX3	(3,4-dichlorophenyl)hydrazine
+c1ccc(cc1)c2cc(n[nH]2)N	HX4	5-phenyl-1h-pyrazol-3-amine
+CSc1nc(cc(n1)Cl)Cl	HX5	4,6-dichloro-2-(methylsulfanyl)pyrimidine
+c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)C(=O)NO	HX6	n-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide
+CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	HX7	n-{4-[(2s)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+c1ccc(cc1)Oc2ccc(cc2)O	HX8	4-phenoxyphenol
+C[C@H](C(=O)NO)NC(=O)[C@H](CCC[C@H](C(=O)O)NC(=O)C)NC(=O)C	HX9	(2~{r},6~{s})-2,6-diacetamido-7-[[(2~{r})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid
+CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O	HXA	docosa-4,7,10,13,16,19-hexaenoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@](O2)(C)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	HXB	4'-methylthymidine 5'-(tetrahydrogen triphosphate)
+CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	HXC	hexanoyl-coenzyme a
+CCCCCCCCC[C@H](CC(=O)O)O	HXD	(3r)-3-hydroxydodecanoic acid
+CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N	HXE	3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
+C[C@H](C(=O)NO)NC(=O)[C@H](CCN(Cc1ccccc1)CC(=O)O)NC(=O)C	HXF	2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid
+CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC	HXG	1,2-dihexanoyl-sn-glycero-3-phosphocholine
+c1ccc(cc1)Oc2ccc(cc2)CN[C@@H]3C=C[C@H]([C@@H]([C@H]3O)O)O	HXH	(1s,2s,3r,6r)-6-[(4-phenoxybenzyl)amino]cyclohex-4-ene-1,2,3-triol
+CCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)O	HXJ	2-[[(e,2s,3r)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
+CCCCCCCCOc1cc(cc(c1)O)CSc2ccccc2C(=O)O	HXK	2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid
+[H]/N=C(/c1ccc(cc1)Oc2ccc(cc2)c3[nH]c4ccc(cc4n3)/C(=N/[H])/N)\N	HXL	2-(4-(4-carbamimidoylphenoxy)phenyl)-1h-benzo[d]imidazole-6-carboximidamide
+CC(C)N(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	HXM	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](propan-2-yl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+CN(C)CCCN(C)c1nc2ccc(cc2c(n1)N(C)CCC#N)Br	HXN	3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile
+C[C@H](C(=O)NO)NC(=O)[C@H](Cc1ccc(cc1)S(=O)(=O)N)NC(=O)C	HXO	(2s)-2-acetamido-n-[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide
+c1cc2c(cc1O)Oc3cc(ccc3C2CCC(=O)O)O	HXP	3,6-dihydroxy-xanthene-9-propionic acid
+CCN(C)c1c2cc(ccc2nc(n1)N(C)C3CCN(CC3)C)S(=O)(=O)Nc4c(nn(c4C)C)C	HXQ	4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{n}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide
+c1cc(ccc1CC(=O)NO)c2ccc(cc2)S(=O)(=O)N	HXR	n-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide
+CC[C@@H](c1ccc(cc1)O)[C@H](CC)c2ccc(cc2)O	HXS	4-[(1r,2s)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol
+c1ccc(cc1)C(=O)CO	HXT	2-hydroxy-1-phenylethanone
+CCc1c(c(nc(n1)N)N)OCCCCOc2ccccc2CCc3[nH]nnn3	HXV	6-ethyl-5-(4-{2-[2-(1h-tetrazol-5-yl)ethyl]phenoxy}butoxy)pyrimidine-2,4-diamine
+CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N4C=CC[C@H]4CC#N	HXW	2-[(2~{s})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile
+c1cc(c(c(c1Cl)C(=O)O)O)Cl	HXX	3,6-dichloro-2-hydroxybenzoic acid
+c1cc(ccc1CN2CCCC2)Br	HXY	1-(4-bromobenzyl)pyrrolidine
+CC[C@]1([C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O	HXZ	4'-ethylthymidine 5'-(tetrahydrogen triphosphate)
+CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N	HY0	hygromycin b variant
+c1ccc(cc1)CC=O	HY1	phenylacetaldehyde
+COc1cc2c(cc1OCCCN3CCN(CC3)CCN4C(=O)c5cccc6c5c(ccc6)C4=O)NC[C@@H]7CCCN7C2=O	HY2	2-{2-[4-(3-{[(11as)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1h-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1h-benzo[de]isoquinoline-1,3(2h)-dione
+C1CN[C@@H]([C@H]1O)C(=O)O	HY3	3-hydroxyproline
+CCCCOC[C@H](COP(=O)(CCC)O)OCCCC	HY4	(2r)-2,3-dibutoxypropyl hydrogen (s)-propylphosphonate
+C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)O)O)[C@H](C)CNC(=O)C5CC5)O)C)COC	HY5	fc-ncpc
+c1cc(ccc1CC(=O)NCC(=O)NO)S(=O)(=O)N	HY6	n-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide
+CN1CCN(CC1)CC2=Nc3c4cc(ccc4oc3C(=O)N2)Br	HY7	8-bromanyl-2-[(4-methylpiperazin-1-yl)methyl]-3h-[1]benzofuro[3,2-d]pyrimidin-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@@H](O3)CN(CCCNc4c5c(ncn4)n(cn5)[C@@H]6[C@@H]([C@@H]([C@@H](O6)CO)O)O)CC[C@@H](C(=O)O)N)O)O)N	HY8	(2~{s})-4-[[(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{s},3~{r},4~{s},5~{s})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid
+C[C@H](C(=O)NO)NC(=O)[C@H](CCN(CC1CCCC1)CC(=O)O)NC(=O)C	HY9	2-[[(3s)-3-acetamido-4-[[(2r)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid
+C([C@H]([C@@H](/C(=N/O)/O)O)O)O	HYA	2,3,4,n-tetrahydroxy-butyrimidic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H](Cc2cccc3c2cccc3)CS(=O)(=O)C(C)(C)C	HYB	[2-(2-methyl-propane-2-sulfonylmethyl)-3-naphthalen-1-yl-propionyl-valinyl]-phenylalaninol
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)CCCCCCCCC(=O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O	HYC	o5'-[9-(3,17b-dihydroxy-1,3,5(10)-estratrien-16b-yl)-nonanoyl]adenosine
+[OH-]	HYD	hydroxy group
+C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCO)O	HYE	(2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde
+CC(C)C(=O)[C@]12C(=C(C(=O)[C@](C1=O)(C[C@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C)O	HYF	4-hydroxy-5-isobutyryl-6-methyl-1,3,7-tris-(3-methyl-but-2-enyl)-6-(4-methyl-pent-3-enyl)-bicyclo[3.3.1]non-3-ene-2,9-dione
+CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@H]3[C@H](C([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@@H]([C@H]([C@@H](O4)[C@H](CO)N)O)O)O)O)N	HYG	hygromycin b
+CCCC[C@H](C(=O)N)O	HYH	(2r)-2-hydroxyhexanamide
+C(CSC[C@@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N	HYI	(2s)-2-amino-4-[(2r,3r)-2,3-dihydroxy-3-n-hydroxycarbamoyl-propylmercapto]butyric acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N[C@H]3CC[C@@H](c4c3cccc4)Oc5ccc6nnc(n6c5)C(C)C	HYK	1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{s},4~{s})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
+C\1CNC(=O)c2c(c(c([nH]2)Cl)Cl)/C1=C\3/C(=O)N=C(N3)N	HYM	(4z)-4-(2-amino-5-oxo-3,5-dihydro-4h-imidazol-4-ylidene)-2,3-dichloro-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1h)-one
+C1C(=O)NC(=O)N1	HYN	imidazolidine-2,4-dione
+CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3	HYO	[(1s,5r)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2s)-3-hydroxy-2-phenylpropanoate
+C1[C@H](CN[C@@H]1C(=O)O)O	HYP	4-hydroxyproline
+c1ccc2c(c1)c(ccc2[N+](=O)[O-])N3C(=O)[C@H]4C5CCC([C@H]4C3=O)CC5	HYQ	rel-(3ar,4s,7r,7as)-3a,4,7,7a-tetrahydro-2-(4-nitro-1-naphthalenyl)-4,7-ethano-1h-isoindole-1,3(2h)-dione
+c1ccc(cc1)OCCNC=S	HYR	n-(2-phenoxyethyl)methanethioamide
+CS(=O)(=O)Nc1ccc(cc1)OC[C@H](CNCCc2ccc(c(c2)Cl)Cl)O	HYS	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+Cn1nc(c(n1)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F	HYT	2-methyl-5-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide
+c1ccc(cc1)CC2CCN(CC2)C(=O)C3CCN(CC3)c4nnc(s4)n5cccc5	HYV	[4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N[C@H]3CC[C@H](c4c3cccc4)Oc5ccc6nnc(n6c5)C(C)C	HYW	1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{s},4~{r})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
+CCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	HYY	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](propyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c(c(ncn4)N)CNN5CCCCC5	HYZ	n-[1-(3-fluorobenzyl)-1h-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine
+C[C@@H]1[C@@H]2C[C@]([C@@H](C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O)[C@@H](C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O	HZ0	(10e,12e)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl n-methyl-n-(3-(methylsulfinothioyl)propanoyl)-d-alaninate
+CCCCCCCC(=O)O[C@H]1[C@H]2C([C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCc4ccc(c(c4)CCCCCCNC(=O)OC(C)(C)C)O)([C@](C(=O)O3)(C)O)O)C([C@@H]1OC(=O)/C(=C\C)/C)C	HZ1	(3s,3ar,4s,6s,6ar,7s,8s,9r,9as,9bs)-6-(acetyloxy)-4-{[4-(3-{6-[(tert-butoxycarbonyl)amino]hexyl}-4-hydroxyphenyl)butanoyl]oxy}-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxododecahydroazuleno[4,5-b]furan-7-yl octanoate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCNc4c5c(ncn4)n(cn5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)O)O)N	HZ2	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid
+COC(=O)C1=C([C@@H]2C(=C([C@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OC	HZ3	dimethyl (1r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
+CCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	HZ4	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](ethyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+Cc1c(c(n(n1)C)C)NS(=O)(=O)C	HZ5	~{n}-(1,3,5-trimethylpyrazol-4-yl)methanesulfonamide
+CCCCCCC[C@@H](O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O[C@@H](CCCCCCC)O	HZ7	(1r,2s,3s,4r,5s,6r)-5-{[(r)-[(2r)-2,3-bis{[(1s)-1-hydroxyoctyl]oxy}propoxy](hydroxy)phosphoryl]oxy}-2,4,6-trihydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)]
+CCN(C)c1c2ccccc2nc(n1)N(C)C3CCN(CC3)C	HZ8	~{n}4-ethyl-~{n}2,~{n}4-dimethyl-~{n}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
+C1[C@H]([C@@H]([C@H](C([C@@H]1O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O	HZB	(1~{r},3~{s},4~{r},5~{r})-5-[(2~{s},3~{r},4~{s},5~{r})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol
+C[C@@H]1CC[C@H]([C@H](C1)CN)C(C)C	HZC	[(1s,2s,5r)-5-methyl-2-propan-2-yl-cyclohexyl]methanamine
+C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]5[C@H]6[C@@H](CS5)NC(=O)N6	HZD	4-[(3-{2,16-dioxo-20-[(3ar,4r,6as)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium
+CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)F)N4CCNCC4	HZE	5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{h}-indole-2-carboxamide
+CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)c3ccccc3)C(=O)O	HZF	(3r,4r,5s)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid
+CC(=O)C[n+]1c2ccccc2sc1Cc3cc[n+](c4c3cccc4)C	HZG	1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium
+c1ccc(cc1)CCSCC(=O)C(F)(F)F	HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one
+C[C@]12CCc3c4ccc(cc4ccc3[C@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N	HZJ	(14beta,17beta)-estra-1(10),2,4,6,8-pentaene-3,17-diyl disulfamate
+c1cc2c(cc1N3CC[C@@](C3=O)(C(=O)NCc4cc(cc(c4)Cl)F)O)CCC(=O)N2	HZK	(3~{s})-~{n}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)pyrrolidine-3-carboxamide
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC/N=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	HZL	[(2s)-3-[2-[(e)-[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(z)-octadec-9-enoyl]oxy-propyl] (z)-octadec-9-enoate
+CN(C)CCCC(=O)Nc1cccc(c1)[C@@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	HZM	2-{(s)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+NN	HZN	hydrazine
+C1[C@@H](CN[C@@H]1C(=O)O)O	HZP	(4s)-4-hydroxy-l-proline
+c1cc2c(ccc(c2nc1)O)Cl	HZQ	5-chloranylquinolin-8-ol
+CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)c3ccccc3	HZR	1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one
+c1cc(sc1)S(=O)(=O)N(Cc2ccc(cc2)F)Cc3[nH]ncn3	HZT	~{n}-[(4-fluorophenyl)methyl]-~{n}-(1~{h}-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@@H](CF)C(=O)O	HZU	(2s)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3-fluoropropanoic acid
+CN(C)CCCC(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4	HZV	2-{(r)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
+c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCc3cc(cc(c3)Cl)F)O	HZW	(3~{s})-~{n}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide
+c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)[O-]	HZX	2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
+COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(ccc3c2)OS(=O)(=O)N	HZY	6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium
+CC(=CCC/C(=C\COP(=O)(O)O)/C)C	HZZ	[(2~{z})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O	I	inosinic acid
+COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	I01	(4r)-4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoic acid (3r)-3-[(pyridine-4-carbonyl)amino]-azepan-4-yl ester
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)c3nnc(o3)[C@@](C)(Cc4ccccc4)N	I02	3-{5-[(1r)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-n-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)OC[C@](Cc3ccccc3)(CO)N	I03	(2s)-2-amino-2-benzyl-3-hydroxypropyl 3-({[(1r)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate
+COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	I04	n-{(3r,4r)-4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoylamino]-azepan-3-yl}isonicotinamide
+COc1ccc(c(c1F)C(=O)c2ccc(cc2)CO[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	I05	(3r,4r)-n-{4-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-benzyloxy]-azepan-3-yl}-isonicotinamide
+c1ccc(cc1)CCN2C(=O)c3ccccc3C(=O)N2	I06	2-phenethyl-2,3-dihydro-phthalazine-1,4-dione
+COc1ccc(c(c1F)C(=O)c2ccc(cc2)\C=C\[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	I08	(3r,4s)-n-(4-{trans-2-[4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)-phenyl]-vinyl}-azepan-3-yl)-isonicotinamide
+CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2)Cl)(C#N)c3ccc(cc3)Cl	I09	(3r,4r,5s)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-n-[(3s)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-d-prolinamide
+CN1CCc2c(cccc2NC3=C(C(=O)N(N=C3)C)Cl)C1	I0D	4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{h}-isoquinolin-5-yl)amino]pyridazin-3-one
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C)C(=O)O	I0E	(2s)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid
+CN(C)c1ccc(cc1)/C=C(\C#N)/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	I0F	2-cyano-3-[4-(dimethylamino)phenyl]-~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide
+c1cc(ccc1[C@H]2[C@H]3CCC[C@H]3c4cc(ccc4O2)O)O	I0G	(3as,4r,9br)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
+C[NH+]1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)C[NH+]5CC[C@@H](C5)OCC(=O)O	I0M	2-[(3s)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid
+COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2ccccc2)Cc3ccc(cc3)Cl)/O	I0N	methyl (z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@H](CO1)N)O)O)/C)/C)/C)/C)/C)/C)/C)/C)C	I0O	4-amino-4-deoxy-1-o-[(s)-hydroxy{[(2e,6e,10z,14z,18z,22e,26e,30e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-l-arabinopyranose
+[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	I0P	d-myo inositol 1,4,5,6 tetrakisphosphate
+C[C@H](CC[NH+]1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)C[NH+]5CCC(CC5)CNC(=O)C)C(=O)[O-]	I0Q	(2r)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate
+CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3ccc(nc3)N4CC[NH+](CC4)CCOC)c5cc(cc(c5)Cl)Cl	I0T	n-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide
+CCNCCc1ccc(cc1)CN(CC)c2cc(ccc2[C@@H]3CCc4cc(ccc4C3)O)OC	I0V	(6r)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol
+CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3ccc(nc3)N4CC[NH+](CC4)CCC(=O)[O-])c5cc(cc(c5)Cl)Cl	I0W	3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate
+CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	I0X	nalpha-[(benzyloxy)carbonyl]-n-[(1s)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-l-phenylalaninamide
+CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	I0Y	nalpha-[(benzyloxy)carbonyl]-n-[(2s)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-l-phenylalaninamide
+CC(C)C[C@H](c1cccc(c1)c2ccccc2)C(=O)NC[C@H](CNS(=O)(=O)c3ccccn3)O	I10	1-[2-(3-biphenyl)-4-methylvaleryl)]amino-3-(2-pyridylsulfonyl)amino-2-propanone
+c1c[nH+]ccc1NCC[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)C3CCCCC3	I11	[[cyclohexanesulfonyl-glycyl]-3[pyridin-4-yl-aminomethyl]alanyl]piperidine
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2cc(on2)C	I12	n-[(5-methylisoxazol-3-yl)carbonyl]-l-alanyl-l-valyl-n~1~-((1s)-4-ethoxy-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide
+C/C(=N\OCCN)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl	I13	1-(2-{3-[(1e)-n-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea
+Cc1ccc(cc1C#Cc2cn(c3c2c(ncn3)N)CCOC)NC(=O)C	I14	n-(3-{[4-amino-7-(2-methoxyethyl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide
+Cc1c2c(ccc(c2Oc3cc(cc(c3)C#N)C#N)F)[nH]n1	I15	5-[(5-fluoro-3-methyl-1h-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
+c1cc(ccc1CN)c2c(nc(cn2)NCC3CCNCC3)c4ccc(cc4)c5ccoc5	I16	5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-n-[(piperidin-4-yl)methyl]pyrazin-2-amine
+c1ccc(cc1)CNc2c3c(nc(n2)NC4CCC(CC4)N)n(cn3)C5CCCC5	I17	2-[trans-(4-aminocyclohexyl)amino]-6-(benzyl-amino)-9-cyclopentylpurine
+CC1=N[C@H]([C@H](N1)c2ccc(cc2)Cl)c3ccc(cc3)Cl	I18	(4s,5r)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1h-imidazole
+Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)N4CC[C@@H](C4)N(C)C)F	I19	n-(4-{[(3s)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-amine
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)I)O)/C(=O)N1CC(=O)O)N)O	I1C	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CCC(=O)c1ccccc1	I1E	1-phenylpropan-1-one
+CC(=O)NCC1CC[NH+](CC1)Cc2cc(nc(c2)Oc3cnc(nc3)N4CC[NH+](CC4)CCC(=O)[O-])c5cc(cc(c5)Cl)Cl	I1G	3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate
+COc1ccc(cc1OCCc2ccc(cc2Cl)Cl)C(=O)NCC3CCN(CC3)c4ccncc4	I1H	3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-n-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
+C(c1n[nH]nn1)C(=O)N[NH3+]	I1L	[2-(2~{h}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium
+C1([C@@H]([C@@H](C(=O)[C@H]([C@@H]1O)O)O)O)O	I1N	(2s,3r,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexanone
+CN(C)CCCNS(=O)(=O)c1ccc(cc1)Nc2nccc(n2)c3cnc4n3nccc4	I1P	2-[4-(n-(3-dimethylaminopropyl)sulphamoyl)anilino]-
+c1ccc(cc1)C[C@@H](NC(=O)OCc2ccccc2)P(=O)(O)O	I1S	[(1s)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C[NH2+][C@H]2C[C@H](C[C@H]2C=O)C(=O)[O-])[O-]	I1T	(1s,3r,4s)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](c4nc5ccccc5s4)O)C	I1W	(1r,2s,5s)-n-{(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxo(1-~2~h)pyrrolidin-3-yl]propan-2-yl}-3-{n-[tert-butyl(~2~h)carbamoyl]-3-methyl-l-(n-~2~h)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~h)carboxamide
+[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C	I1Z	(1r,2s,5s)-3-[n-(tert-butylcarbamoyl)-3-methyl-l-valyl]-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([C@H](C)NC(=O)CC[C@@H](C(=O)N2CCCC2C#N)N)O	I20	(2s)-2-({(2s)-3-[(r)-[(1r)-1-({(4s)-4-amino-5-[(2s)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid
+C[C@]1(Cc2cccc(c2)C=CC(=NC(=O)c3cc(cc(c3)c4ccccc4C#N)COC1=O)c5ccccc5)N	I21	2-[(5r)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile
+C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O	I22	d-altro-hept-2-ulose 7-phosphate
+Cc1cc(c(c(c1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C	I23	n-cycloheptyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
+CCCCOc1nc(c2c(n1)n(cn2)Cc3c(cccc3F)F)NCCN4CCOCC4	I24	2-butoxy-9-(2,6-difluorobenzyl)-n-(2-morpholin-4-ylethyl)-9h-purin-6-amine
+[H]/N=C(/c1ccc(cc1)N[C@H](c2cc(cc(c2)OCC(C)(C)CN(C)C)CC)C(=O)O)\N	I25	(2r)-({4-[amino(imino)methyl]phenyl}amino){3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethylphenyl}acetic acid
+[H]/N=C(/c1ccc(cc1)N[C@H](c2cc(cc(c2F)OCC(C)(C)CN(C)C)CC)C(=O)O)\N	I26	(2r)-[(4-carbamimidoylphenyl)amino]{3-[3-(dimethylamino)-2,2-dimethylpropoxy]-5-ethyl-2-fluorophenyl}ethanoic acid
+COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2cccc(c2)Cl)Cc3ccc(cc3)Cl)/O	I27	methyl (z)-4-[1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate
+CCOC(=O)c1c2c(ccc(c2CN3CCC(CC3)C)O)oc1c4ccccc4	I28	ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
+CC1=N[C@@]([C@@](N1C(=O)N2CCN(CC2)CCCS(=O)(=O)C)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl	I29	[(4s,5r)-4,5-bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1h-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone
+Cc1cc2c(cc1C)N3C=[N]2[Co]456(N7[C@@H]8[C@@H]([C@](C7=C(C9=[N]4C(=CC1=[N]5C(=C(C2=[N]6[C@@]8([C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]1/C=C/C(=O)N)(C)CC(=O)N)C([C@@H]9CCC(=O)N)(C)C)C)(CCC(=O)NC[C@H](OP(=O)(O[C@@H]1[C@H](O[C@H]3[C@@H]1O)CO)O)C)C)CC(=O)N)O	I2A	hydroxocobalamin
+Cc1c(nc(c(c1O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC=O	I2C	5'-o-[(s)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine
+c1cc2c(cc1CCC(=O)O)OCO2	I2E	3-(1,3-benzodioxol-5-yl)propanoic acid
+COc1cc(c2c(c1OC)O[C@H](C=C2)C3CC3)Cc4cnc(nc4N)N	I2H	5-{[(2s)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl}pyrimidine-2,4-diamine
+II	I2I	molecular iodine
+CCC(C)(C)[C@@H](C(=O)O)N	I2M	3-methyl-l-alloisoleucine
+Cc1ccc(cc1c2ccc3c(c2)NC(=O)C34CCCC4)C(=O)NC5CC5	I2O	n-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide
+[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	I2P	d-myo-inositol-2,4,5-triphosphate
+C1[C@@H](C[C@@H]([C@H]1CF)N)C(=O)O	I2V	(1s,3s,4s)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid
+C/C(=N\NC(=O)c1cc(ccc1O)Br)/c2[nH]c3ccccc3n2	I30	n'-[(1e)-1-(1h-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide
+CCOc1cc(ccc1C2=N[C@@]([C@@](N2)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(C)(C)C	I31	(4s,5r)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1h-imidazole
+CC(C)(C)NC[C@@H](COc1cccc2c1c(c([nH]2)C#N)I)O	I32	4-{[(2s)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1h-indole-2-carbonitrile
+c1cc2cc(sc2c(c1)Cl)C(=O)N[C@H]3CN4CCC3CC4	I33	7-chloro-n-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide
+Cc1cc(no1)NC(=O)Nc2cc(c(cc2OC)OC)Cl	I34	n-(5-chloro-2,4-dimethoxyphenyl)-n'-(5-methyl-3-isoxazolyl)-urea
+CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC	I35	[(2~{r})-2-butanoyloxy-3-[oxidanyl-[(2~{r},3~{r},5~{s},6~{r})-2,4,6-tris(oxidanyl)-3,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] butanoate
+c1cc(c(cc1C(=O)NC2(CCCCC2)C(=O)NCC#N)F)N	I37	4-amino-n-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide
+C[C@H](C(=O)O)NC(=O)CCS	I38	n-(3-mercaptopropanoyl)-d-alanine
+Cc1ccccc1c2c(c(cc[n+]2[O-])C(=O)c3ccc(cc3F)F)N	I39	[3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone
+c1ccc2c(c1)c(c[nH]2)C=O	I3A	1h-indole-3-carbaldehyde
+c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O	I3C	5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid
+CCc1ccc(cc1)C(=O)CC	I3E	1-(4-ethylphenyl)propan-1-one
+COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)nc(o4)Nc5ccc(cc5)Cl	I3K	n-(4-chlorophenyl)-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine
+I[I-]I	I3M	tri-iodode anion
+Cc1c(c2cc(ccc2n1Cc3ccccc3)OC)CC(=O)O	I3N	1-benzyl-5-methoxy-2-methyl-1h-indol-3-yl)-acetic acid
+[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	I3P	d-myo-inositol-1,4,5-triphosphate
+[C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O	I3S	(1s,3s,4s)-1,3,4-triphospho-myo-inositol
+CC1=C(C(=O)NC(=O)N1)N	I3V	5-azanyl-6-methyl-1~{h}-pyrimidine-2,4-dione
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCc4cccc(c4)I	I40	9-(3-iodobenzylamino)-1,2,3,4-tetrahydroacridine
+COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@](Cc2ccccc2)CC(=O)O	I41	2-[[2-[[(2s)-3-(3h-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic acid
+O[V](=O)([O-])[O-]	I42	hydroxy(dioxido)oxovanadium
+CC1=C(N(C(=O)N=C1OC)C)C=C(CO)CO	I43	6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1h)-one
+Cc1ccc(cc1N2C(=CC(=C(C2=O)Br)OCc3ccc(cc3F)F)C)C(=O)NC	I45	3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2h)-yl}-n,4-dimethylbenzamide
+c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F	I46	2-fluoro-4-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]pyridine
+c1cc(ccc1c2c(c(n[nH]2)C3CCN(CC3)C(=O)CO)c4ccncn4)Cl	I47	2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1h-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol
+Cc1cc(cc(c1)OCCNc2cc[nH+]cc2)NS(=O)(=O)c3ccccc3	I48	n-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
+c1cc(cc(c1)C(=O)N)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCCC3	I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid
+CC(C)Cc1ccccc1	I4B	isobutylbenzene
+[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O	I4D	d-myo-inositol-4-phosphate
+CC(C)CNCC(=O)O	I4G	n-(2-methylpropyl)glycine
+C[C@@H]1[C@@H]([C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@H](OC1=O)C(C)C)C)NC(=O)c2c(cccn2)O)Cc3cccnc3)O	I4I	3-hydroxy-n-[(2r,5r,6s,9s,10s,11r)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCN(CC4)C(=O)C[C@](CC(=O)O)(C(=O)O)O	I4L	(2~{s})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
+C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O	I4P	(1s,3r,4r,6s)-1,3,4,6-tetrapkisphosphate
+CC1=NNC(=NC1=O)C	I4S	3,6-dimethyl-2~{h}-1,2,4-triazin-5-one
+CC(C)OC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	I4U	4-isopropyl, uridine-5'-monophosphate
+[H]/N=C(/N)\NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccc2)(F)F)Cl	I50	n-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide
+CC1=C(NC(=O)NC1=O)C=C(CO)CO	I51	6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+CCCCCc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N(CCN3CCOCC3)[C@H](C(C)C)C(=O)NO	I52	n-{4-[(1-hydroxycarbamoyl-2-methyl-propyl)-(2-morpholin-4-yl-ethyl)-sulfamoyl]-4-pentyl-benzamide
+c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc4c(n3CCO)cc(cc4Cl)Cl	I53	2-[2-[[3-(1~{h}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol
+CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3	I57	2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-d-galacto-non-2-en  onic acid
+[H]/N=C(/C)\NCC[C@H](C[C@@H](C(=O)O)N)F	I58	4r-fluoro-n6-ethanimidoyl-l-lysine
+c1ccc2c(c1)cccc2[C@@H](O)P(=O)(O)O	I59	hydroxy(1-naphthyl)methylphosphonic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CI)O)O	I5A	5'-deoxy-5'-iodocytidine
+CN1CCN(CC1)C(=O)c2c3cc(c(cc3[nH]n2)c4ccncc4)OC	I5B	(5-methoxy-6-pyridin-4-yl-1~{h}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)COP(=O)(O)O)O	I5C	5-iodo-2'-deoxy-cytidine-5'-monophosphate
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)NC(=O)N3	I5H	(5s)-5-(1h-indol-3-ylmethyl)imidazolidine-2,4-dione
+c1cc2c(cc1N=C=S)cc(o2)C3=NCCN3	I5I	2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1h-imidazole
+Cc1cc(cc(n1)C)c2cc3c(cc2C4CC4)c(n[nH]3)N[C@@H]5CCNC[C@H]5F	I5N	5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{n}-[(3~{r},4~{r})-3-fluoranylpiperidin-4-yl]-1~{h}-indazol-3-amine
+C1([C@@H]([C@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	I5P	inositol-(1,3,4,5,6)-pentakisphosphate
+c1ccc2c(c1)c(c[nH]2)C[C@@H]3C(=O)Nc4c(cccn4)N3	I5R	(2r)-2-(1h-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2h)-one
+c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl	I5S	isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide
+c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4	I5T	4-oxidanylidene-n-[(1s,2r)-2-phenylcyclopropyl]spiro[3h-chromene-2,4'-piperidine]-1'-carboxamide
+[H]/N=C(\c1cccs1)/Nc2cccc(c2)COC[C@@H](CN)OCc3cccc(c3)/N=C(\c4cccs4)/N	I5U	n',n'-{[(2r)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
+Cc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3	I5W	(~{e})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid
+C1CC1C2=NC(=O)NC(=O)C2	I5Z	6-cyclopropyl-5~{h}-pyrimidine-2,4-dione
+CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc2ccc(c(c2)OC)OC)c3cccc(c3)OCC(=O)O	I63	{3-[(1r)-3-(3,4-dimethoxyphenyl)-1-({[(2s)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
+CCOC(=O)c1c2c(ccc(c2CN3CCCC3)O)oc1c4ccccc4	I66	ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate
+CCc1c(c(nc(c1C#N)SCc2ccc(cc2)CNC(=O)CN)N3CCCN(CC3)C)C#N	I67	n-{[4-({[3,5-dicyano-4-ethyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]sulfanyl}methyl)phenyl]methyl}glycinamide
+COc1cc2cc[nH]c2cc1c3ccncc3	I6A	5-methoxy-6-pyridin-4-yl-1~{h}-indole
+Cc1c(nc2c(ccc(c2n1)O)OC)C	I6G	8-methoxy-2,3-dimethylquinoxalin-5-ol
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@H](C(F)F)C(=O)O	I6J	(2s)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
+C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	I6P	inositol 1,2,3,4,5,6-hexakisphosphate
+CCC1=NC(=O)NC(=O)C1	I6R	6-ethyl-5~{h}-pyrimidine-2,4-dione
+CCOC(=O)c1ccc(nc1)c2ccc(cn2)C=O	I6W	ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate
+CCN1C=C(C=C(C1=O)C)[C@]2(c3cccc(c3C(=N2)N)F)c4cccc(c4)c5cc(cnc5)C#CC	I6X	5-{(1r)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1h-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1h)-one
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)N)O)C	I70	(1r,2s,5s)-n-{(2s,3r)-4-amino-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[n-(tert-butylcarbamoyl)-3-methyl-l-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@@H]4CCNC[C@H]4O	I73	(3s,4s)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
+CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@H]4CCNC[C@@H]4O	I74	(3r,4r)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
+CC(=O)c1ccc(c(c1)OC)O	I75	1-(4-hydroxy-3-methoxyphenyl)ethanone
+CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OCc5cccc(c5)Cl)c(ncn2)N	I76	3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc(ncc1C(=O)N)c2ccc(cn2)C(=O)NN	I77	5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide
+Cc1c(c2cc(ccc2s1)Cl)Cn3cc(c4c3cc(cc4)c5cc(cc(c5)N)N)CC(=O)O	I79	{1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1h-indol-3-yl}acetic acid
+c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N	I7A	4,5-dichlorobenzene-1,3-disulfonamide
+c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N	I7B	4-amino-6-chlorobenzene-1,3-disulfonamide
+c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F	I7C	4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
+CC(C)(C)c1ccccc1	I7E	tert-butylbenzene
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC(CC4)C(=O)O	I7K	1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC[C@H](C4)C(=O)N[C@@H](CC(=O)O)C(=O)O	I7N	n-[(3r)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-l-aspartic acid
+[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	I7P	(1r,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)I	I7T	7-iodotetracycline
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCC[C@H](C4)C(=O)O	I7V	(3r)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
+COc1cccc(c1)CN2CCC(CC2)C(=O)N	I81	1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
+CNc1c2c(c([nH]n2)c3ccccc3)ncn1	I82	~{n}-methyl-3-phenyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+CN[Pt](N(C)C)(Cl)Cl	I83	bis(chloranyl)-(dimethylamino)-(methylamino)platinum
+Cc1ccccc1CC(=O)Nc2cc(c(c(c2)C)S(=O)(=O)NCC(=O)O)C	I84	[2,6-dimethyl-4-(2-o-tolyl-acetylamino)-benzenesulfonyl]-glycine
+c1cc(cc(c1)C(F)(F)F)C(=O)Nc2cc(ccn2)c3cc4c([nH]3)[C@]5(CCCNC5)CNC4=O	I85	n-{4-[(3s)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide
+C[C@H]1CN(CCO1)S(=O)(=O)N(C)C(C)C	I87	(2s)-n,2-dimethyl-n-(propan-2-yl)morpholine-4-sulfonamide
+CC1(CN(C1(C)C)C(=O)NCC2CC2)C	I8A	n-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide
+c1cc(ccc1C(=O)N2CCSCC2)Cl	I8D	(4-chlorophenyl)(thiomorpholin-4-yl)methanone
+c1cc(ccc1OCC(=O)N2CCCC2)F	I8G	2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one
+CC1(CC1)S(=O)(=O)N2CCC=C(C2)F	I8J	5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine
+c1ccc(c(c1)CN2CCOCC2)O	I8M	2-[(morpholin-4-yl)methyl]phenol
+Cc1ccc2c(c1)sc(n2)CCc3cc(c(c(c3)OC)OC)OC	I8N	6-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole
+[C@@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O	I8P	(1r,3s,4r,5s,6r)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)N)O)S(=O)(=O)O	I8Q	4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
+COc1ccc(cc1O)CCc2nc3cc(c(c(c3s2)OC)OC)OC	I8R	2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol
+c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)O)O	I8U	3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)N)S(=O)(=O)O	I8Y	3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
+c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)NCC(=O)O)O	I91	n-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine
+c1ccc(c(c1)C(=O)CC(=O)C(=O)O)Br	I92	4-(2-bromophenyl)-2,4-dioxobutanoic acid
+Cc1ccc(c(c1Cl)C(=O)CC(=O)C(=O)O)F	I93	4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid
+CC(C)c1ccccc1Nc2[nH]nc(n2)SCc3cccs3	I96	n-(2-isopropylphenyl)-3-[(2-thienylmethyl)thio]-1h-1,2,4-triazol-5-amine
+c1cc(c(cc1N)F)CNC(=O)c2ccc(cc2OCC(=O)O)Cl	I98	{2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
+c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCC[C@H](C4)C(=O)O)O	I99	(3r)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
+COC(=O)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c3ccccc3C2=O	I9C	methyl n-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate
+COC(=O)C[C@](CC(=O)N1CCN(CC1)S(=O)(=O)c2cc3c(cc2O)C(=O)c4ccccc4C3=O)(C(=O)OC)O	I9F	dimethyl (2r)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate
+C1CCc2c(c3c4c(c(nnn4)N5CCN(CC5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)sc3nc2N7CCOCC7)C1	I9G	8-(4-beta-d-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline
+CCN([C@H]1CN(N=C1c2ccc(cc2)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO	I9H	n-[3-(4-chlorophenyl)-1-{n'-cyano-n-[3-(difluoromethoxy)phenyl]carbamimidoyl}-4,5-dihydro-1h- pyrazol-4-yl]-n-ethyl-2-hydroxyacetamide
+c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCN(CC4)C(=O)C[C@@](CC(=O)O)(C(=O)O)O)O	I9K	(2r)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)N4CCNCC4	I9N	1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione
+c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)NCCC(=O)O	I9Q	n-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine
+C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)I	IA	2'-(3-iodophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+c1c(cc(c(c1c2c(c(c([nH]2)Cl)Cl)Cl)O)Cl)Cl	IA2	2,4-dichloro-6-(3,4,5-trichloro-1h-pyrrol-2yl)phenol
+COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2ccccc2F)Cc3ccc(cc3)Cl)/O	IA3	methyl (z)-4-(4-(4-chlorobenzyl)-1-(2-fluorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+CN(CCc1c[nH]c2c1cccc2)CCC3CCCCCC3	IA4	~{n}-(2-cycloheptylethyl)-2-(1~{h}-indol-3-yl)-~{n}-methyl-ethanamine
+COC(=O)/C(=C/C(=O)C1(CCN(CC1)Cc2cccc(c2)Br)Cc3ccc(cc3)Cl)/O	IA5	methyl (z)-4-(1-(3-bromobenzyl)-4-(4-chlorobenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+CC(C)(C)c1nc(c2c(c(c(nc2n1)N)C#N)N)c3nccs3	IA7	5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile
+Cc1c(ccc(c1Cl)C(=O)Nc2cc(ccc2N3CCN(CC3)C)N(=O)=O)F	IA9	2-chloro-4-fluoro-3-methyl-n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
+C1C=CC=C\2C1=N/C(=C\3/C4=CC=CCC4=NC3=O)/C2=N/OCC(=O)O	IAA	({[(3e)-2'-oxo-2',7'-dihydro-2,3'-biindol-3(7h)-ylidene]amino}oxy)acetic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO	IAB	iso-acarbose
+c1ccc2c(c1)c(c[nH]2)CC(=O)O	IAC	1h-indol-3-ylacetic acid
+c1ccc2c(c1)c(c[nH]2)CC(=O)N[C@@H](CC(=O)O)C(=O)O	IAD	n-[1h-indol-3-yl-acetyl]aspartic acid
+c1ccc2c(c1)c(c[nH]2)CC(=O)NCC(=O)O	IAG	n-[1h-indol-3-yl-acetyl]glycine acid
+CC(C)NCc1ccc(cc1)C[C@@H](C(=O)O)N	IAM	4-[(isopropylamino)methyl]phenylalanine
+CO[C@@H](c1ccccc1)[P@@](=O)(O)OC	IAN	methyl hydrogen (r)-[(r)-methoxy(phenyl)methyl]phosphonate
+B(c1cccc(c1)NC(=O)CI)(O)O	IAP	4-iodo-acetamido phenylboronic acid
+Cc1ccccc1Nc2c3cncn3c4cc(c(cc4n2)F)N(C)C(=O)/C=C\CN(C)C	IAQ	(2z)-4-(dimethylamino)-n-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-n-methylbut-2-enamide
+[H]/N=C(\CCCN/C(=N/[H])/N)/C(=O)O	IAR	(2e)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid
+C([C@@H](C(=O)O)N)C(=O)O	IAS	beta-l-aspartic acid
+CC(C)[C@@H](C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2	IAV	n-[1h-indol-3-yl-acetyl]valine acid
+C[NH+]1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(c(c6)I)OC	IB	2'-(3-iodo-4-methoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+COc1cc(c(c(c1)F)C(=O)c2ccnc(n2)Nc3ccc(cc3)C#N)F	IB1	4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@](=O)(O)O[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)O)O)N	IB2	p1-p2-methylene-p3-thio-diadenosine triphosphate
+Cc1ccc(cc1)[C@H](CCC(=O)N(C)O)P(=O)(O)O	IB3	[(1s)-4-[hydroxy(methyl)amino]-1-(4-methylphenyl)-4-oxobutyl]phosphonic acid
+CC(C)(C)c1cc(n[nH]1)NC(=O)c2ccc(cc2)S(=O)(=O)N3CCCC3	IB5	~{n}-(5-~{tert}-butyl-1~{h}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide
+CN(C)CC[N@@](C)[C@@H]1Cn2c3cc(ccc3c(c2-c4ccccc4OC1)C5CCCCC5)C(=O)O	IB8	(7r)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6h-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid
+CCC(CC)Nc1cc(ccc1N2C(=O)CC[C@@]2(CN)CO)C(=O)O	IBA	4-[(2r)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid
+c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C6NCCN6)O	IBB	5-(2-imidazolinyl)-2-[2-(4-hydroxyphenyl)-5-benzimidazolyl]benzimidazole
+C1CC=C(c2c(onc2O)C1)C[C@@H](C(=O)O)N	IBC	3-(3-hydroxy-7,8-dihydro-6h-cyclohepta[d]isoxazol-4-yl)-l-alanine
+CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN(CC)CC	IBD	2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide
+c1(c(c(c(c(c1F)F)I)F)F)F	IBF	1,2,3,4,5-pentafluoro-6-iodobenzene
+c1ccc(c(c1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)I	IBG	gamma-glutamyl[s-(2-iodobenzyl)cysteinyl]glycine
+Cc1csc(n1)[C@@](C)(C2=NN/C(=N/C(=O)Cc3c(cccc3F)F)/S2)O	IBH	(nz)-2-[2,6-bis(fluoranyl)phenyl]-n-[5-[(1s)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3h-1,3,4-thiadiazol-2-ylidene]ethanamide
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C(C)C)Nc3ccc(cc3OC)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)C	IBI	n-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7r)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide
+CC(C)CNC(=O)COCc1cc(on1)c2cccs2	IBK	n-isobutyl-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide
+CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C	IBM	3-isobutyl-1-methylxanthine
+CC(C)CN	IBN	2-methylpropan-1-amine
+CC(C)C(=O)N	IBO	2-methylpropanamide
+CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O	IBP	ibuprofen
+CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)I)O	IBQ	iodo-bedaquiline
+c1cc(c(cc1N)C=O)CC(=O)OCCBr	IBR	(2-bromoethyl)(2-'formyl-4'-aminophenyl) acetate
+C(C(=O)CO[P@](=O)(O)OC1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O	IBS	l-alpha-glycerophospho-d-myo-inositol-4,5-bis-phosphate
+CC(C)COC(=O)O	IBU	2-methylpropyl hydrogen carbonate
+c1ccc(c(c1)CS)I	IBZ	2-iodobenzylthio group
+C1=CN(C(=NC1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	IC	isocytidine-5'-monophosphate
+COc1cc(c(c(c1)OC)\C=C\2/c3ccccc3NC2=O)OC	IC1	3-[(2,4,6-trimethoxy-phenyl)-methylene]-indolin-2-one
+c1cc(c(cc1C(F)(F)F)[N+](=O)O)n2c(c(cn2)C#N)N	IC3	[2-(5-amino-4-cyano-1h-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCCn2ccnc2	IC6	(2s)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid
+Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4cnc5c4ncnc5N	IC8	2-[(6-amino-9h-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one
+Cc1ccc(cc1)CS(=O)(=O)CNC	IC9	n-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine
+C([C@@H]([C@H](C(=O)O)O[Ca])C(=O)O)C(=O)O	ICA	isocitrate calcium complex
+c1ccc2c(c1)cc([nH]2)C(=O)O	ICB	1h-indole-2-carboxylic acid
+C1CCC(=O)NCC1	ICC	azepan-2-one
+Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)[N@]2C)O	ICD	4-hydroxy-2-methyl-n-(5-methyl-1,2-oxazol-3-yl)-2h-1,2-benzothiazine-3-carboxamide 1,1-dioxide
+C12345[Fe]6[S]7[Fe]18S[Fe]29[S]1[Fe]3[S]2[Fe]4([S]9[Mo]12)S[Fe]51[S]6[Fe]7[S]81	ICE	iron-sulfur-molybdenum cluster with interstitial carbon
+[C@H](C(F)(F)F)(OC(F)F)Cl	ICF	1-chloro-2,2,2-trifluoroethyl difluoromethyl ether
+C12345[Fe@]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)[Se][Fe]52[S]8[Mo]9[S]12	ICG	iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated
+C12345[Fe]67[S]8[Fe]19[S]1[Fe]8[S]6[Fe]21[Se][Fe]31[S]2[Fe]4([Se]7)[S]3[Fe]5([S]1[Mo]32)[Se]9	ICH	iron-sulfur-molybdenum cluster with interstitial carbon with selenium incorporated
+C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O	ICI	isocitric acid
+CCCC[C@@H](C[C@H](C(C)C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	ICJ	(1r,3s,5z)-5-[(2e)-2-{(1r,3as,7ar)-1-[(1r,2s,4r)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4h-inden-4-yli dene}ethylidene]-4-methylidenecyclohexane-1,3-diol
+CC(C)[C@@H](C(=O)Nc1cccc(c1C=O)Cl)NC(=O)OC(C)(C)C	ICL	[1-(3-chloro-2-formyl-phenylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester
+CC(C)[C@@](C)(C#N)O	ICN	(s)-2-hydroxy-2,3-dimethylbutanenitrile
+c1ccc2c(c1)c(c[nH]2)C(=O)O	ICO	1h-indole-3-carboxylic acid
+CC1=NC(=N)C(=C)C=N1	ICP	2-methyl-5-methylene-5h-pyrimidin-4-ylideneamine
+[H]/N=C\1/[C@@H](N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O	ICR	(4r)-5-imino-1-(5-o-phosphono-beta-d-ribofuranosyl)-4,5-dihydro-1h-imidazole-4-carboxylic acid
+C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12	ICS	iron-sulfur-molybdenum cluster with interstitial carbon
+C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O	ICT	isocitric acid
+CC(=O)O[C@H](c1ccc(cc1C(=O)O)N)C(=O)OC	ICU	methyl(2-acetoxy-2-(2-carboxy-4-amino-phenyl))acetate
+COC(=O)CNC(=O)CCC\C=C/NC(=O)c1ccc(cc1)Cc2ccc(cc2)I	ICX	methyl n-[(5z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-5-enoyl]glycinate
+c1ccc(c(c1)CSC[C@@H](C(=O)O)N)I	ICY	s-(2-iodobenzyl)-l-cysteine
+C12345[Fe]6[S]7[Fe]1[S]8[Fe]7[S]6[Fe]28S[Fe]39[S]1[Fe]4[S]2[Fe]5[S]9[Mo]21	ICZ	iron-sulfur-molybdenum cluster with interstitial carbon
+CNC(=O)c1c2c([nH]n1)CCCC2	ID0	n-methyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxamide
+C[C@H]([C@@H](C=O)[C@H]1C[C@H](C(=N1)C(=O)O)SCC/N=C\N)O	ID1	 imipenem
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O	ID2	5-iododeoxyuridine
+CC1=C(C(CCC1)(C)C)/C=C/C(=O)C	ID3	(3e)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
+c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)CC3CCCCC3	ID4	4-[4-(cyclohexylmethyl)-1h-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide
+c1cc(c(cc1F)OCC(=O)O)C(=O)NCc2nc3c(c(cc(c3s2)F)F)F	ID5	[5-fluoro-2-({[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]amino}carbonyl)phenoxy]acetic acid
+CCOC1=CC=CC(=O)c2c1c(n(c2C)Cc3ccc(cc3)Cl)C	ID6	2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2h)-one
+Cc1cccc(c1C)Nc2ccccc2C(=O)O	ID8	2-[(2,3-dimethylphenyl)amino]benzoic acid
+CCCc1cc2cc([nH]c2c(c1)CC(=O)O)CC(=O)N	IDA	(2-carbamoylmethyl-5-propyl-octahydro-indol-7-yl)acetic acid
+c1c(c(c(c(c1I)NC(=O)CCCCC(=O)Nc2c(cc(c(c2I)C(=O)O)I)I)I)C(=O)O)I	IDB	3-[5-[(3-carboxy-2,4,6-triiodo-phenyl)carbamoyl]pentanoylamino]-2,4,6-triiodo-benzoic acid
+c1cn2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	IDC	(5r,6r,7r,8s)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-d-glucopyranoside
+c1ccc(cc1)c2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O	IDD	(5r,6r,7s,8s)-5-(hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
+c1ccc(cc1)NCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O	IDE	(5r,6r,7s,8s)-3-(anilinomethyl)-5,6,7,8-tetrahydro-5-(hydroxymethyl)-imidazo[1,2-a]pyridine-6,7,8-triol
+[C@H]1([C@H]([C@@H](O[C@]([C@H]1O)(C(=O)O)F)F)O)O	IDF	5-fluoro-alpha-l-idopyranosyluronic acid fluoride
+C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N	IDG	2,6-diamino-2,6-dideoxy-beta-l-idopyranose
+C1[C@@H](C(=O)NC(=O)N1)I	IDH	(5s)-5-iododihydro-2,4(1h,3h)-pyrimidinedione
+c1cc2c(cc1I)CNCC2	IDI	7-iodo-1,2,3,4-tetrahydro-isoquinoline
+C1[C@@H]([C@H]([C@@H]([C@@H](N1)C(=O)O)O)O)O	IDJ	(2r,3r,4r,5s)-3,4,5-trihydroxypiperidine-2-carboxylic acid
+c1cc(cc(c1)NS(=O)(=O)CC2CC2)c3ccc4c(c3)[nH]nc4NC(=O)C5CC5	IDK	n-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1h-indazol-3-yl]cyclopropanecarboxamide
+c1ccn2c(c1)ncc2CC(=O)O	IDL	imidazo[1,2-a]pyridin-3-ylacetic acid
+c1ccc2c(c1)CCN2	IDM	indoline
+Cn1cc(c2c1cccc2)CN(C)C(=O)\C=C\c3cc4c(nc3)NC(=O)CC4	IDN	(e)-n-methyl-n-(1-methyl-1h-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-[1,8]naphthyridin-3-yl)-acrylamide
+[I-]	IDO	iodo group
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N=CNC2=O	IDP	inosine-5'-diphosphate
+CCCCc1nc2c(n1Cc3ccc(cc3)CN)c4ccccc4nc2N	IDQ	1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O	IDR	alpha-l-idopyranuronic acid
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O	IDS	2-o-sulfo-alpha-l-idopyranuronic acid
+[C@H]1([C@H](C(=C(O[C@H]1O)C(=O)O)O)O)O	IDT	4,5-dehydro-l-iduronic acid
+[C@@H]1([C@H]([C@@H](O[C@@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O	IDU	2-o-sulfo-beta-l-altropyranuronic acid
+CN(C)S(=O)(=O)Nc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)C4CC4	IDV	n-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1h-indazol-3-yl)cyclopropanecarboxamide
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@H]1OS(=O)(=O)O)O)C(=O)O)O)O	IDX	2-o-sulfo-alpha-l-gulopyranuronic acid
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)OS(=O)(=O)O	IDY	1-o-methyl-2-o-sulfo-alpha-l-idopyranuronic acid
+c1ccc2c(c1)c(n[nH]2)c3[nH]c4ccccc4n3	IDZ	3-(1h-benzimidazol-2-yl)-1h-indazole
+Cc1ccc-2c(n1)SCc3c2n(nc3)c4ccc(cc4)S(=O)(=O)N	IE2	4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4h)-yl)benzenesulfonamide
+c1cc-2c(cnc2[nH]c1)c3ccc(s3)S(=O)(=O)NCCN	IE4	n-(2-aminoethyl)-5-{1h-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide
+Cc1cc2c(ccnc2[nH]1)c3ccc(s3)S(=O)(=O)NCCN	IE6	n-(2-aminoethyl)-5-{2-methyl-1h-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide
+c1ccc(cc1)[C@H](CN)Oc2cc(c(nc2)c3ccoc3)c4c[nH]c5c4cccn5	IE8	5-[(1r)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1h-pyrrolo[2,3-b]pyridin-3-yl}pyridine
+Cc1ccc(cc1)CNc2cc(nc(n2)N)Cl	IEE	6-chloro-4-n-[(4-methylphenyl)methyl]pyrimidine- 2,4-diamine
+CC(C)O[P@](=O)(CCCCCCCCCCCC=C)F	IEF	propan-2-yl (r)-tridec-12-en-1-ylphosphonofluoridate
+Cc1ccccc1S(=O)(=O)N	IEJ	o-toluenesulfonamide
+[H]/N=C(/C)\NCCCC[C@@H](C(=O)O)N	IEL	n~6~-[(1z)-ethanimidoyl]-l-lysine
+CC(C)CO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C	IEM	2-methylpropyl 2-acetamido-2,4-dideoxy-alpha-l-threo-hex-4-enopyranosiduronic acid
+c1cc(c2c(c[nH]c2c1C(=O)N)C#N)OC3CCNCC3	IEO	3-cyano-4-(piperidin-4-yloxy)-1h-indole-7-carboxamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC	IEP	[(2~{s})-1-octadecanoyloxy-3-[oxidanyl-[(1~{r},2~{r},3~{s},4~{s},5~{s},6~{s})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)NC(=O)CCCCCCC(=O)NO)NC(=O)OC(C)C	IES	propan-2-yl n-[(2s,4r)-1-ethanoyl-2-methyl-6-[4-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]phenyl]-3,4-dihydro-2h-quinolin-4-yl]carbamate
+c1cc(c(c(c1)Cl)CC(=N)NC(=S)Nc2ccc(cc2)C#N)Cl	IET	1-(4-cyano-phenyl)-3-[2-(2,6-dichloro-phenyl)-1-imino-ethyl]-thiourea
+c1cc(ccc1CC2C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O	IEY	{5-hydroxy-4-(4-hydroxybenzyl)-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-1h-imidazol-1-yl}acetic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C2C[C@H](C[C@H]2C(=C(F)F)C(F)(F)F)C(=O)O)O	IF1	(1s,3s,4s)-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid
+CNc1c2c(nc(n1)NC)n(cn2)C	IF3	~{n}2,~{n}6,9-trimethylpurine-2,6-diamine
+[H].C(CCCCN=[N+]=[N-])CCCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O	IF6	(1r,2s,3r,4s,5s,6r)-7-(8-azidooctyl)-3,4,5-trihydroxy-
+C1[C@@H]([C@@H]([C@@H](C(=O)N1)O)O)CO	IF7	(3s,4s,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one
+COC(=O)CCNC(=O)c1cc(cc(c1O)I)c2ccc(cc2F)F	IFA	methyl n-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alaninate
+c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)NCCC(=O)O	IFB	n-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alanine
+Cc1ccc(cc1NC(=O)c2ccno2)NC(=O)c3cc(cc(c3)n4cc(nc4)C)C(F)(F)F	IFC	n-[2-methyl-5-({[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-5-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](CN1)CO)O)O	IFG	(2r,3r,4s,5r)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine
+C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO	IFL	(3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one
+C1[C@@H]([C@H]([C@@H](CN1)O)O)CO	IFM	5-hydroxymethyl-3,4-dihydroxypiperidine
+C=C1C=NC(=NC1=N)C(F)(F)F	IFP	2-trifluoromethyl-5-methylene-5h-pyrimidin-4-ylideneamine
+CC(C)OP(=O)(c1ccccc1CS)OC(C)C	IFS	bis(1-methylethyl) [2-(sulfanylmethyl)phenyl]phosphonate
+CNc1c2c(c([nH]n2)Br)ncn1	IFZ	3-bromanyl-~{n}-methyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	IG	isoguanosine-5'-monophosphate
+c1c([nH]cn1)[C@@H]([C@H](COP(=O)(O)O)O)O	IG2	(2s,3s)-2,3-dihydroxy-3-(1h-imidazol-5-yl)propyl dihydrogen phosphate
+c1[nH]c2c(n1)NC(=O)N=C2N	IGA	6-amino-3,7-dihydro-2h-purin-2-one
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)NC(=O)CCCCCCC)O	IGC	n-[(1s,2r,3e)-1-({[alpha-d-galactopyranosyl-(1->3)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}methyl)-2-h ydroxyheptadec-3-en-1-yl]octanamide
+Cc1cc(c(s1)C)S(=O)(=O)NC	IGF	n,2,5-trimethyl-3-thiophenesulfonamide
+c1ccc2c(c1)CC(C2)[C@H](C(=O)O)N	IGL	alpha-amino-2-indanacetic acid
+c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)O	IGM	2,4-bis(chloranyl)-n-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4h-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide
+C1CCC(CC1)C[C@H](C(=O)N2CCCC[C@H]2C(=O)NCCCNC(=N)N)NCC(=O)O	IGN	{[(1r)-2-((2s)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid
+c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O	IGP	indole-3-glycerol phosphate
+CC1=C(C(=O)N(C(=O)N1)C)N	IGT	5-azanyl-3,6-dimethyl-1h-pyrimidine-2,4-dione
+C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)O)O	IGU	2'-deoxyisoguanine-5'-monophosphate
+COC1=CC(=O)NC(=O)N1	IGX	6-methoxy-1h-pyrimidine-2,4-dione
+c1cc(ccc1S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)C(=N)N)Br	IH1	2-[2-(4-bromo-benzenesulfonyl)-ethyl]-1-3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide
+[H]/N=C(\C1CCC(CC1)CNC(=O)[C@@H]2C=C(CN3N2C(=O)N(C3=O)CC(c4ccccc4)c5ccccc5)C)/N	IH2	2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo [1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide
+CC1=C[C@H](N2C(=O)N(C(=O)N2C1)CC(c3ccccc3)c4ccccc4)C(=O)NC5CCC(CC5)c6cnc([nH]6)N	IH3	2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4] triazolo[1,2-a]pyridazine-5-carboxylic acid [4-(2-amino-3h-imidazol-4-yl)-cyclohexyl]-amide
+CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)CC(=O)OC)C4CCN(CC4)Cc5[nH]ccn5	IH4	n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)
+CC(C)c1cc(ccc1O)Oc2c(cc(cc2Cl)CC(=O)O)Cl	IH5	{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid
+CC#CCOc1ccc(cc1)S(=O)(=O)[N@@]2CCSC([C@@H]2C(=O)NO)(C)C	IH6	(3s)-4-{[4-(but-2-ynyloxy)phenyl]sulfonyl}-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
+c1cc(cc(c1)O)CNCCS(=O)(=O)O	IH9	2-[(3-hydroxybenzyl)amino]ethanesulfonic acid
+COc1cccc(c1c2cnnc(n2)NCc3nc4cc(ccc4s3)OCC(=O)O)OC	IHA	{[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid
+c1cc(c(cc1C(=O)O)I)O	IHB	3-iodo-4-hydroxybenzoic acid
+c1cc(c(c(c1)Cl)c2cnnc(n2)NCc3nc4cc(ccc4s3)OCC(=O)O)Cl	IHC	{[2-({[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid
+CCCCCCCCCCCCCCCCI	IHD	1-iodohexadecane
+CN1CCN(CC1)CCn2cnc3c2nc(nc3NC4CCCCC4)C#N	IHE	6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9h-purine-2-carbonitrile
+CCC1=C(C(=O)NC(=O)N1)N	IHF	5-azanyl-6-ethyl-1h-pyrimidine-2,4-dione
+CC(C)NC(=N)NO	IHG	n-isopropyl-n'-hydroxyguanidine
+c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)CC#N)Nc4cc([nH]n4)C5CC5	IHH	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile
+c1ccc(c(c1)Nc2c3c(nc(n2)C#N)n(cn3)C4CCCC4)OCCCn5ccnc5	IHI	9-cyclopentyl-6-[2-(3-imidazol-1-yl-propoxy)-phenylamino]-9h-purine-2-carbonitrile
+CN1CCN(CC1)CCCOc2ccccc2Nc3c4c(nc(n3)C#N)n(cn4)C5CCCC5	IHJ	9-cyclopentyl-6-{2-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenylamino}-9h-purine-2-carbonitrile
+CC(=O)Nc1cccc(c1)c2ccn(n2)[C@@H](Cc3cc[n+](cc3)[O-])c4ccc(c(c4)OCC5CC5)OC(F)F	IHM	n-(3-{1-[(1s)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-4-yl)ethyl]-1h-pyrazol-3-yl}phenyl)acetamide
+C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	IHP	inositol hexakisphosphate
+CCCCCCCC1=C(C(=O)c2ccccc2N1O)I	IHQ	2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one
+Cc1c2c(c(ncn2)NC3CC3)n[nH]1	IHR	~{n}-cyclopropyl-3-methyl-2~{h}-pyrazolo[4,3-d]pyrimidin-7-amine
+C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	IHS	d-myo-inositol-hexasulphate
+COc1ccc(cc1NC(=O)NC(=O)c2ccc(cc2Cl)F)O	IHU	n-(2-chloro-4-fluorobenzoyl)-n'-(5-hydroxy-2-methoxyphenyl)urea
+CN1CCN(CC1)c2cnc3cc(cc(c3n2)c4cccc(c4)O)C(F)(F)F	IHX	3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
+Cc1ccc(cc1Nc2cc(cnc2)C(=O)N)C(=O)Nc3cccc(c3)C(F)(F)F	IHZ	5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide
+c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N	II2	5-amino-2-{4-[(4-aminophenyl)sulfanyl]phenyl}-1h-isoindole-1,3(2h)-dione
+Cc1cccc(c1)n2cnc3c2ccc(c3)N	II4	1-(3-methylphenyl)-1h-benzimidazol-5-amine
+C[C@@H]1C[C@@H](C[C@@H](C1)CO)CN	II6	[(1r,3s,5r)-3-(aminomethyl)-5-methyl-cyclohexyl]methanol
+CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)c5ccc(s5)Cl	IIA	1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide
+Cc1cccc2c1n(c(c2C#N)C(=O)NC3CCN(CC3)C(C)C)Cc4cc(on4)c5ccc(s5)Cl	IIB	1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-3-cyano-n-(1-isopropylpiperidin-4-yl)-7-methyl-1h-indole-2-carboxamide
+c1c([nH]cn1)CC2=NC(N(C2=O)CC(=O)O)[C@H](CO)N	IIC	4-imidazolmethylene-5-imidazolone chromophore
+CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cccc(c4)OC	IID	n-(1-isopropylpiperidin-4-yl)-1-(3-methoxybenzyl)-1h-indole-2-carboxamide
+CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2CC(=O)Nc4ccc(cc4)Cl	IIE	1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide
+C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(C4CC4)O)(C(F)(F)F)O	IIG	n-cyclopropyl-n-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1s)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
+c1cc2c(c(c1)Cl)oc(n2)c3cc(c(c(c3)I)O)I	IIH	4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol
+CN(C)c1c2ccccc2nc(n1)N3CCCC3	III	~{n},~{n}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine
+CC[C@@H](C)[C@@H](C(=O)O)N	IIL	iso-isoleucine
+CN1C(=O)c2ccccc2[C@]1(c3ccccc3)N	IIN	2-methyl-3-amino-3-phenylisoindol-1-one
+Cn1ccnc1C(=O)Nc2cn(c(n2)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C	IIP	imidazole-pyrrole polyamide
+Cc1cccc(c1)CNCCS(=O)(=O)O	IJ1	2-[(3-methylbenzyl)amino]ethanesulfonic acid
+c1cc(oc1)CNCCS(=O)(=O)O	IJ2	2-[(furan-2-ylmethyl)amino]ethanesulfonic acid
+Cc1cc(ccc1F)CNCCS(=O)(=O)O	IJ4	2-[(4-fluoro-3-methylbenzyl)amino]ethanesulfonic acid
+C1CCC(CC1)CNCCS(=O)(=O)O	IJ6	2-[(cyclohexylmethyl)amino]ethanesulfonic acid
+COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CCP(=O)(O)O	IJE	{2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid
+C1(=C(NC(=O)NC1=O)C(=O)O)N	IJZ	5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N	IK1	5-phenyl-2-ureidothiophene-3-carboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O	IK2	4'-deoxy-4'-acetylyamino-pyridoxal-5'-phosphate
+c1cc(ccc1COc2ccc3ccc(cc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)C#N	IK4	n-({7-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid
+CN(C)Cc1nccn1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4ccc5c(c4)c(no5)N)C(F)(F)F	IK8	1-(3-amino-1,2-benzisoxazol-5-yl)-n-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl) -1h-pyrazole-5-carboxamide
+c1cc2c(cc1CC3=Nc4cc(cc(c4C5=NC(=N)NN35)NCCO)F)OCO2	IK9	2-{[(2z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol
+C1C=C[C@H]2[C@@H](N1)[C@@H]3C(=O)N[C@H]([C@@]3(O2)CC(=O)O)C(=O)O	IKM	(4as,5ar,6r,8as,8bs)-5a-(carboxymethyl)-8-oxo-2,4a,5a,6,7,8,8a,8b-octahydro-1h-pyrrolo[3',4':4,5]furo[3,2-b]pyridine-6-carboxylic acid
+Cc1cc(c(cc1I)C)OCc2ccccc2/C(=N\OC)/C(=O)OC	IKR	methyl (2e)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate
+C[C@@H]([C@@H](CCCCCC(=O)O)CC(=O)O)N	IKT	3-(1-aminoethyl)nonanedioic acid
+c1c(cc(nc1C(=O)O)C(=O)O)N2C=C(NN2)CCO	IKX	4-(4-(2-hydroxyethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid
+c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F	IKY	n-hydroxy-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
+CC[C@H](C)[C@@H](C(O)O)N	IL0	(2s,3s)-2-amino-3-methylpentane-1,1-diol
+CC#CC[C@@H](C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O	IL2	(5e)-5-[(3as,4r,5r,6as)-5-hydroxy-4-[(1e,3s,4r)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1h)-ylidene]pentanoic acid
+CC#CCOc1ccc(cc1)CNS(=O)(=O)N	IL3	1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene
+c1cc2c(cc1S(=O)(=O)N)S(=O)(=O)NC2=O	IL5	3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide
+CC[C@H](C)[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	ILA	n-[isoleucinyl]-n'-[adenosyl]-diaminosufone
+c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O)F	ILB	2-({[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopent-1-ene-1-carboxylic acid
+COc1cccc(c1)c2ccc(c(c2)F)NC(=O)c3ccsc3C(=O)O	ILC	3-{[(3-fluoro-3'-methoxybiphenyl-4-yl)amino]carbonyl}thiophene-2-carboxylic acid
+CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@](O2)(CC)[C@H](C)O)C)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C	ILD	(4r,5s)-3-[(2r)-2-{(2s,2'r,4s,5s,5'r)-2,5'-diethyl-5'-[(1s)-1-hydroxyethyl]-4-methyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
+CC[C@H](C)[C@@H](C(=O)O)N	ILE	isoleucine
+CC[C@H](C)[C@@H](C(=O)[O-])[NH-]	ILE_LEO2	l-isoleucine c-terminal deprotonated fragment
+CC[C@H](C)[C@@H](C(=O)O)[NH-]	ILE_LEO2H	l-isoleucine c-terminal protonated fragment
+CC[C@H](C)[C@@H](C(=O)O)N	ILE_LFOH	l-isoleucine free neutral
+CC[C@H](C)[C@@H](C(=O)[O-])[NH3+]	ILE_LFZW	l-isoleucine free zwitterion
+CC[C@H](C)[C@@H]([C-]=O)[NH-]	ILE_LL	l-isoleucine - linking embedded fragment
+CC[C@H](C)[C@@H]([C-]=O)[NH3+]	ILE_LSN3	l-isoleucine n-terminal protonated fragment
+c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)c3ccsc3C(=O)O)F	ILF	3-({[3,5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)thiophene-2-carboxylic acid
+C(C[C@@H](C(=O)O)[NH3+])C=O	ILG	glutamyl group
+c1cc(cc(c1)OC(F)(F)F)c2c(c(c(c(c2F)F)NC(=O)C3=C(CC=C3)C(=O)O)F)F	ILH	2-({[2,3,5,6-tetrafluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopenta-1,3-diene-1-carboxylic acid
+C[C@@H]1C=C[C@@H]([C@H](CN1S(=O)(=O)c2ccccn2)O)NC(=O)[C@H](CC(C)C)NC(=O)c3cc4ccccc4o3	ILI	n-[(1s)-1-({[(3s,4s,7r)-3-hydroxy-7-methyl-1-(pyridin-2-ylsulfonyl)-2,3,4,7-tetrahydro-1h-azepin-4-yl]amino}carbonyl)-3-methylbutyl]-1-benzofuran-2-carboxamide
+c1cc2c(cc1Cl)C(=CC(=O)N2)CN	ILL	4-(aminomethyl)-6-chloroquinolin-2(1h)-one
+CC[C@H](C)[C@@H](C(=O)OC)N	ILM	methyl l-isoleucinate
+CC(=N)NCCC[C@@H](C(=O)O)N	ILO	n5-iminoethyl-l-ornithine
+CC[C@H](C)[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	ILP	n-[o-phosphono-pyridoxyl]-isoleucine
+[H]/N=C(\CCNC(=O)c1cc(cn1C)NC(=O)c2nc(cn2C)NC(=O)CN/C(=N/[H])/N)/N	ILT	monoimidazole lexitropsin
+CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3)N1C)CO	ILV	(2s,5s)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one
+C[C@@H]([C@H](CO)O)[C@@H](C(=O)O)N	ILX	4,5-dihydroxyisoleucine
+CC(C)NCCCC[C@@H](C(=O)O)N	ILY	n~6~-propan-2-yl-l-lysine
+CC(C)[C@@H](c1[nH]ccn1)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	IM1	(2r,4s,5s,1's)-2-phenylmethyl-4-hydroxy-5-(tert-butoxycarbonyl)amino-6-phenyl hexanoyl-n-(1'-imidazo-2-yl)-2'-methylpropanamide
+[H]/N=C/NCCSC1=C(N[C@H](C1)[C@H](C=O)[C@@H](C)O)C(=O)O	IM2	(5r)-5-[(1s,2r)-1-formyl-2-hydroxypropyl]-3-[(2-{[(e)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1h-pyrrole-2-carbox ylic acid
+[H]/N=C(\Cc1ccc(c(c1)O)O)/C(=O)O	IM3	(2e)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid
+c1cc(ncc1CN\2CCN/C2=N\[N+](=O)[O-])Cl	IM4	(2e)-1-[(6-chloropyridin-3-yl)methyl]-n-nitroimidazolidin-2-imine
+c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO	IM5	2-amino-7-{[(3r,4r)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)n4ccnc4	IM6	4-tert-butyl-n-[6-(1h-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide
+CC1(c2c(c3cc(ccc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	IM7	(5as,12as,13as)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+CC[C@H](CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C	IM8	2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1r)-1-(hydroxymethyl)propyl]acetamide
+Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)N4CCN(CC4)C(=O)CO	IM9	2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol
+C[N+](C)(C)c1ccc(cc1)CNC(=O)c2cc3cc(ccc3n2Cc4cccc(c4)C(=N)N)OCc5ccccc5	IMA	[4-({[5-benzyloxy-1-(3-carbamimidoyl-benzyl)-1h-indole-2-carbonyl]-amino}-methyl)-phenyl]-trimethyl-ammonium
+c1ccc2c(c1)ccnc2NC(P(=O)(O)O)P(=O)(O)O	IMB	[(isoquinolin-1-ylamino)-phosphono-methyl]-phosphonic acid
+CC1=CN(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	IMC	n1-[2-deoxy-ribofuranosyl]-[2-amino-5-methyl-4-oxo-4h-pyrimidine]-5'-monophosphate
+c1c[nH+]c[nH]1	IMD	imidazole
+c1cn(cn1)[Cu](n2ccnc2)(n3ccnc3)(n4ccnc4)([OH2])[OH2]	IME	tetra(imidazole)diaquacopper (ii)
+C1=C[N](=CN1)[Cu+]([N]2=CNC=C2)([N]3=CNC=C3)([N]4=CNC=C4)([OH2])[OH2]	IMF	tetra(imidazole)diaquacopper (i)
+c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O	IMG	1,4-dideoxy-1,4-imino-1-(s)-(9-deazaguanin-9-yl)-d-ribitol
+c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O	IMH	1,4-dideoxy-4-aza-1-(s)-(9-deazahypoxanthin-9-yl)-d-ribitol
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2	IMI	2-iminobiotin
+Cc1c(c2ccccc2n1C)CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)CC4	IMJ	(2e)-n-[(1,2-dimethyl-1h-indol-3-yl)methyl]-n-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
+Cc1ccc2c(c1)nc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	IMK	2-(beta-d-glucopyranosyl)-5-methyl-1-benzimidazole
+CC[C@H](C)[C@@H](C(=O)O)NC	IML	n-methyl-isoleucine
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)I)OC)CC(=O)O	IMM	1-(4-iodobenzoyl)-5-methoxy-2-methyl indole-3-acetic acid
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O	IMN	indomethacin
+c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	IMO	6-o-phosphoryl inosine monophosphate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O	IMP	inosinic acid
+c1cc2cccnc2c(c1)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O	IMQ	(2r,3r,4s)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol
+C1[C@@H]([C@@H]([C@H](N1)CO)O)O	IMR	iminoribitol
+CC[C@@H](CO)NC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C	IMS	2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1s)-1-(hydroxymethyl)propyl]acetamide
+Cn1cc(nc1C(=O)O)N	IMT	4-amino-(1-methylimidazole)-2-carboxylic acid
+c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O	IMU	phosphoric acid mono-[5-(2-amino-4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-pyrrolidin-2-ylmethyl] ester
+c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4	IMV	5-[(2-oxo-2,3-dihydro-1h-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid
+CC1=CC(=O)C(=CC1=O)C(C)C	IMW	2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione
+c1ccc2c(c1)C[C@H]([C@@H]2CC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F	IMX	[(1r,2r)-2-{[(5-fluoro-1h-indol-2-yl)carbonyl]amino}-2,3-dihydro-1h-inden-1-yl]acetic acid
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNCC3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC	IMY	1-{[4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1h-imidazol-1-yl]carbonyl}piperazine
+CCOc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CCO)c4ccc(cc4)Br)c5ccc(cc5)Br)OC	IMZ	cis-[4,5-bis-(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
+[In+3]	IN	indium (iii) ion
+CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc4c3cccc4)Cl	IN0	n-{2-[trans-7-chloro-1-(2,2-dimethyl-propyl) -5-naphthalen-1-yl-2-oxo-1,2,3,5-tetrahydro-benzo[e] [1,4]oxazepin-3-yl]-acetyl}-aspartic acid
+CCC(=O)OCC(CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(O)O	IN1	4-(beta-d-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate
+CN(C)C(=O)NN(CCCCN)C(=O)O	IN2	n,n-dimethylcarbamoyl-alpha-azalysine
+CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)c1cccc(c1)OCc2ccccc2)NC(=O)OCc3ccccc3	IN3	1-(n-benzyloxycarbonyl-l-leucinyl)-5-(3-benzyloxy benzoyl)carbohydrazide
+[H]/N=C(\c1cccc(c1)[C@@H](CCc2ccc(cc2)C(=N)N)CC(=O)OC)/N	IN4	+/-methyl 4-(aminoiminomethyl)-beta-[3- inh (aminoimino)phenyl]benzene pentanoate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)P(=O)(O)O)O	IN5	{1-[(3-hydroxy-methyl-5-phosphonooxy-methyl-pyridin-4-ylmethyl)-amino]-ethyl}-phosphonic acid
+CC(C)C[C@@H](c1nc(cs1)C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3	IN6	n-[2-[1-(n-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-n'-(benzyloxycarbonyl-l-leucinyl)hydrazide
+c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)NCC(=O)O	IN7	[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-acetic acid
+c1ccc(cc1)COC(=O)N[C@H](CC(=O)Nc2nnc(s2)S)c3ccccc3	IN8	[2-(5-mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester
+CNC(=O)[C@H](Cc1c(c(c(c(c1F)F)F)F)F)NC(=O)Nc2nnc(s2)S	IN9	2-[3-(5-mercapto-[1,3,4]thiadiazol-2yl)-ureido]-n-methyl-3-pentafluorophenyl-propionamide
+CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2	INA	1,5-bis(n-benzyloxycarbonyl-l-leucinyl)carbohydrazide
+CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCCSC)NC(=O)C	INB	1-octadecyl-2-acetamido-2-deoxy-sn-glycerol-3-phosphoethylmethyl sulfide
+CC(C)C[C@H](C(=O)OC)N(C(=O)C)O	INC	2-(acetyl-hydroxy-amino)-4-methyl-pentanoic acid methyl ester
+c1ccc2c(c1)cc[nH]2	IND	indole
+c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br	INE	3-bromo-7-nitroindazole
+c1ccc(cc1)C[C@H](C(=O)O)NC(=O)NO	INF	d-[(n-hydroxyamino)carbonyl]phenylalanine
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)N	ING	d-[(amino)carbonyl]phenylalanine
+C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2	INH	n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)glycyl-l-arginine-n-phenylamide
+C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-]	INI	5-nitro-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione
+C(CCc1c(nc(nc1O)O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O	INJ	5-(6-d-ribitylamino-2,4-dihydroxypyrimidin-5-yl)-1-pentyl-phosphonic acid
+CC[C@H](COc1ccccc1)O[P@](=O)(C)Cl	INK	(rp,sp)-o-(2r)-(1-phenoxybut-2-yl)-methylphosphonic acid chloride
+COc1cccc(c1)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4	INL	6-[n-(3-methoxy-phenyl)-3-(morpholin-4-ylmethyl)-2h-thieno[3,2-e]-1,2-thiazine-1,1,-dioxide]-sulfonamide
+COCCC[N@]1C=C(c2cc(sc2S1(=O)=O)S(=O)(=O)N)N	INM	4-amino-6-[n-(3-methoxylpropyl)-2h-thieno[3,2-e][1,2]thiazine 1,1-dioxide]-sulfonamide
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C	INN	n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-l-valyl-n-(2-aminoethyl)-l-alaninamide
+c1c[n+](c(cc1C(=O)O)O)[O-]	INO	2-hydroxyisonicotinic acid n-oxide
+CC(C)C[C@@H](C[N@]1C[C@H](C(=O)C1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccncc2)NC(=O)OCc3ccccc3	INP	4-[[n-[(phenylmethoxy)carbonyl]-/nl/n-leucyl]amino]-1[(2s)-2-[[[4-(pyridinylmethoxy)carbonyl]amino]-4-methylpent/nyl]-3-pyrrolidinone/n
+c1cc(cc(c1)O)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4	INQ	6-[n-(3-hydroxy-phenyl)-3-(morpholin-4-ylmethyl)-2h-thieno[3,2-e]-1,2-thiazine-1,1,-dioxide]-sulfonamide
+c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/N2	INR	2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid
+C1(C(C(C(C(C1O)O)O)O)O)O	INS	1,2,3,4,5,6-hexahydroxy-cyclohexane
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H](C)NC(=O)OCc2ccccc2	INT	[[phenylmethyloxy-carbonyl]-alaninyl]-valinyl-[phenyl-1-hydroxyprop-2-yl]-amine
+c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)[C@H](C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O	INU	n-(3-cyclopropyl(5,6,7,8,9,10-hexahydro-2-oxo-2h-cycloocta[b]pyran-3-yl)methyl)phenylbenzensulfonamide
+c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F	INV	4-(aminosulfonyl)-n-[(4-fluorophenyl)methyl]-benzamide
+c1cc(ccc1C(=O)NCc2ccc(cc2F)F)S(=O)(=O)N	INW	4-(aminosulfonyl)-n-[(2,4-difluorophenyl)methyl]-benzamide
+CCCCCNC(=O)[C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)O	INX	2-(carboxymethoxy)-5-[(2s)-2-({(2s)-2-[(3-carboxypropanoyl)amino] -3-phenylpropanoyl}amino)-3-oxo-3-(pentylamino)propyl]benzoic acid
+CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl	INY	carpropamide
+CCCCCNC(=O)[C@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)O	INZ	2-{4-[(2s)-2-[({[(1s)-1-carboxy-2-phenylethyl]amino}carbonyl)amino]-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid
+c1ccc(cc1)COc2ccc(cc2)CC(=O)O	IO2	2-(4-phenylmethoxyphenyl)ethanoic acid
+CC[C@@H](Cc1c(cc(c(c1I)O)I)I)C(=O)O	IO3	iophenoxic acid
+CCc1c(c(nc(c1C#N)S[C@@H](c2ccccc2)C(=O)N)N3CCCN(CC3)CCO)C#N	IO5	(2s)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide
+c1cc(ccc1C(=O)NCc2cc(ccc2F)F)S(=O)(=O)N	IOA	4-(aminosulfonyl)-n-[(2,5-difluorophenyl)methyl]-benzamide
+c1cc(cc(c1)I)CO	IOB	3-iodo-benzyl alcohol
+c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O)N	IOC	4-(aminosulfonyl)-n-[(2,3,4-trifluorophenyl)methyl]-benzamide
+[I-]	IOD	iodide ion
+c1cc(ccc1C(=O)NCc2c(cc(cc2F)F)F)S(=O)(=O)N	IOE	4-(aminosulfonyl)-n-[(2,4,6-trifluorophenyl)methyl]-benzamide
+c1cc(ccc1C(=O)NCc2cc(c(c(c2)F)F)F)S(=O)(=O)N	IOF	4-(aminosulfonyl)-n-[(3,4,5-trifluorophenyl)methyl]-benzamide
+C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccc(cc3[nH]c2c4ccccc4)OCCN5CCCCC5	IOG	n-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1h-indol-3-yl]acetamide
+CC(C)O	IOH	2-propanol, isopropanol
+C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4ccccc4	IOK	n-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-(2-phenyl-1h-indol-3-yl)acetamide
+c1cc(ccc1O)I	IOL	4-iodophenol
+CN(CC(=O)O)C(N)N	IOM	(diaminomethyl-methyl-amino)-acetic acid
+C[C@H]1CCCC2=CC[C@@H](C[C@]12C)C(=C)C	ION	aristolochene
+c1cc(c(cc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F)F	IOO	 n7-(3,4-difluorobenzyl) guanosine 5'-monophosphate
+c1ccc2c(c1)c(c[nH]2)CCC(=O)O	IOP	indolylpropionic acid
+C[C@@H]1C(=O)N=C(N1)NCCC[C@@H](C(=O)O)N	IOR	n~5~-[(5r)-5-methyl-4-oxo-4,5-dihydro-1h-imidazol-2-yl]-l-ornithine
+c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O	IOS	3-sulfooxy-1h-indole
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CN[C@@H](CCCNC(=N)N)C(=O)O)O)O)N	IOT	arginine-n-methylcarbonyl phosphoric acid 5'-adenosine ester
+c1ccc(cc1)CS(=O)(=O)O	IOX	phenylmethanesulfonic acid
+c1cc(ccc1C[C@H](C(=O)O)N)I	IOY	p-iodo-d-phenylalanine
+CC(C)c1ccccc1O	IP0	2-(1-methylethyl)phenol
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C	IP1	isopenicillin n
+[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O	IP2	d-myo-inositol-4,5-bisphosphate
+CC(C)CCO	IP3	1-hydroxy-3-methylbutane
+CC1(CCC(=O)N1C)C	IP4	1-methyl-2-oxy-5,5-dimethyl pyrrolidine
+C1([C@@H]([C@@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	IP5	(1r,2s,3r,4s,5s,6r)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]
+c1cc(cc(c1)c2ccc3cc[nH]c3c2)CNc4cccnc4N	IP6	n~3~-[3-(1h-indol-6-yl)benzyl]pyridine-2,3-diamine
+c1ccnc(c1)COc2ccc(cc2CNc3cccnc3N)c4ccc5cc[nH]c5c4	IP7	n~3~-[5-(1h-indol-6-yl)-2-(pyridin-2-ylmethoxy)benzyl]pyridine-2,3-diamine
+CC(=C)CCOP(=O)(O)O	IP8	isopentenyl phosphate
+CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC	IP9	(2r)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate
+CC(C)O	IPA	isopropyl alcohol
+Cc1ccc(c(c1)O)C(C)C	IPB	5-methyl-2-(1-methylethyl)phenol
+Cc1ccc(cc1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C	IPC	3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
+[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O	IPD	d-myo-inositol-1-phosphate
+CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O	IPE	3-methylbut-3-enyl trihydrogen diphosphate
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)C)O)O)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)C	IPF	n-acetyltryptophyl-n~1~-{3-[1-(n-acetyltryptophylvalyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}valinamide
+CC(C)NCC(=O)O	IPG	n-isopropyl glycine
+c1ccc(cc1)O	IPH	phenol
+CC(C)CCP(=O)(O)O	IPI	3-methylbutylphosphonic acid
+c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O	IPJ	4-hydroxy-chalcone
+c1ccc(cc1)CC2CCN(CC2)C(=O)c3ccc(cc3)CSc4[nH]c5cnccc5n4	IPK	2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3h-imidazo[4,5-c]pyridine
+c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O	IPL	indole-3-propanol phosphate
+CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O	IPM	3-isopropylmalic acid
+C1=C(C(=O)NC(=O)N1CC(=O)N(CC[NH3+])CC(=O)O)I	IPN	2-aminoethylglycine-carbonylmethylene-5-iodouracil
+c1cc(ccc1C[C@H](C(=O)NO)N)I	IPO	para-iodo-d-phenylalanine hydroxamic acid
+c1cc(ccc1CC(=O)NC[P@H](=O)O)I	IPP	(p-iodophenylacetylamino)methylphosphinic acid
+CC(C)CCO[P@@](=O)(O)OP(=O)(O)O	IPR	isopentyl pyrophosphate
+OP(=O)([O-])[O-]	IPS	inorganic phosphate group
+CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	IPT	1-methylethyl 1-thio-beta-d-galactopyranoside
+CC(C)SC(=N)N	IPU	s-isopropyl-isothiourea
+Cc1ccc(cc1N(C)c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)CO	IPV	[4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol
+c1cc(ccc1C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl	IPW	(4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]methanone
+c1ccc2c(c1)C[C@H]([C@@H]2CCCC(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)F	IPX	4-[(1r,2r)-2-{[(5-fluoro-1h-indol-2-yl)carbonyl]amino}-2,3-dihydro-1h-inden-1-yl]butanoic acid
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCC[NH+](C)C	IPY	imidazole-pyrrole polyamide
+CC(C)c1c(nccn1)OC	IPZ	2-isopropyl-3-methoxypyrazine
+C1CCC(C1)C(=O)O	IQ0	cyclopentanecarboxylic acid
+CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4ccncc4	IQ1	3-(2-tert-butyl-5-(pyridin-4-yl)-1h-imidazol-4-yl)quinoline
+Cc1cc2c(cc1NC(=O)C)nc(s2)N	IQ5	n-(2-azanyl-6-methyl-1,3-benzothiazol-5-yl)ethanamide
+c1cc2c(c[nH]c2nc1)c3cc(nc(c3)Cl)NC4CCCCC4	IQ6	6-chloro-n-cyclohexyl-4-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
+COCCNC(=O)c1ccc2c(c1)nc(n2CCOC)c3cnc([nH]3)c4ccc(cc4)Cl	IQ7	2-(2-(4-chlorophenyl)-1h-imidazol-5-yl)-n,1-bis(2-methoxyethyl)-1h-benzo[d]imidazole-5-carboxamide
+c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O	IQA	(5-oxo-5,6-dihydro-indolo[1,2-a]quinazolin-7-yl)-acetic acid
+c1cc2cnccc2c(c1)S(=O)(=O)NCCNC\C=C\c3ccc(cc3)Br	IQB	n-[2-(4-bromocinnamylamino)ethyl]-5-isoquinoline sulfonamide
+c1cc2c(c(c1)O)CC=NC2=O	IQD	5-hydroxyisoquinolin-1(4h)-one
+Cn1c2cc(c3c(c2nc1N)cccn3)NC4=Nc5c(ncn5[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)C(=O)N4	IQG	n-(2-amino-3-methyl-3h-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate)
+COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OC	IQK	n,n'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide)
+[H]/N=C(/c1ncccn1)\NC	IQL	n-methylpyrimidine-2-carboximidamide
+c1ccc(cc1)c2c(nc3cc4c(cc3n2)nc[nH]4)c5ccc(cc5)CN6CCC(CC6)N7c8ccccc8NC7=O	IQO	1-(1-(4-(7-phenyl-1h-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1h-benzo[d]imidazol-2(3h)-one
+C[C@H]1CNCC[N@]1S(=O)(=O)c2cccc3c2ccnc3	IQP	1-(5-isoquinolinesulfonyl)-2-methylpiperazine
+c1cc(cc(c1)C(=O)O)c2cccc(c2)O	IQQ	3-(3-hydroxyphenyl)benzoic acid
+CNCCNS(=O)(=O)c1cccc2c1ccnc2	IQS	n-[2-(methylamino)ethyl]-5-isoquinolinesulfonamide
+c1cc2cnccc2c(c1)S(=O)(=O)NCCN	IQU	n-(2-aminoethyl)isoquinoline-5-sulfonamide
+Cc1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N	IQW	5-(p-tolyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+Cc1c(sc(n1)NC(=O)C)c2cc(c(nc2)F)NS(=O)(=O)c3c(nc(s3)C)C	IQX	n-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
+c1ccc2c(c1)c3c([nH]2)[C@@H]4CCCC[N@]4CC3=O	IQZ	(12bs)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7(6h)-one
+[Ir+4]	IR	iridium ion
+c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(nn4)N=NC5=O	IR1	5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3h-pyrazolo[3,4-c]pyridazin-3-one
+c1ccc2c(c1)c(ccn2)c3ccc4c(c3)C(=O)N(C=N4)c5ccc(cc5)N6CCOCC6	IR2	3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one
+[Ir+3]	IR3	iridium (iii) ion
+CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4ccccn4	IR4	1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone
+CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4CO	IR5	1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone
+CC(=O)c1cc(c2n1ccc(c2)Oc3ccccc3)c4ccccc4S(=O)(=O)C	IR6	1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone
+C([C@@H]1[C@H]([C@H]([C@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O	IR8	[(2r,3s,4r,5r)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]
+C([C@H]1[C@H]([C@H]([C@@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O	IR9	[(2s,3r,4s,5s)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]
+COc1ccc(cc1CC(=O)O)Br	IRA	(5-bromo-2-methoxyphenyl)acetic acid
+c1cc\2c(c(c1)Br)NC(=O)/C2=C\3/C(=N/O)/c4cc(ccc4N3)C(=O)O	IRB	(2z,3e)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid
+CC(C)C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O	IRC	s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2r)-2-hydroxy-4-methyl-pentanethioate
+COc1cc2c(cc1OCCCN3CCOCC3)/C(=N/c4ccc(c(c4)Cl)F)/N=CN2	IRE	gefitinib
+Cc1cc2c(cc1I)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	IRF	1-deoxy-1-(8-iodo-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-d-ribitol
+c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N	IRG	n~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
+COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O	IRH	isorhamnetin
+[NH3][Ir+3]([NH3])([NH3])([NH3])([NH3])[NH3]	IRI	iridium hexammine ion
+CCC[C@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	IRK	(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2s)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+Cc1cc(cc(c1)C(=O)N(C)[C@@H](Cc2ccc(cc2)c3ccccc3)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)O)C	IRL	(2r)-2-({(2s)-3-(biphenyl-4-yl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1h-indol-3-yl)propanoic acid (non-preferred name)
+c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	IRN	1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole
+C1(=C(NC(=O)NC1=O)C(=O)O)I	IRO	5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O	IRP	(1s)-1(9-deazahypoxanthin-9yl)1,4-dideoxy-1,4-imino-d-ribitol-5-phosphate
+CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O	IRR	n-{(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucinamide
+CC(=C)CN	IRS	2-methylprop-2-en-1-amine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@H]2c3ccc(cc3)OC	IRW	(1s,2s)-1-hydroxy-2-{[n-({[(1r,2r)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)\C=C\c3ccc[n+](c3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O	IS1	3-[(1e)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-d-ribofuranosylpyridinium
+CCc1ccc(cc1)NC(=O)P(=O)(O)O	IS2	[(4-ethylphenyl)amino]carbonylphosphonic acid
+CC(C)CCO[P@@](=O)(O)O[P@](=O)(O)S	IS3	isopentenyl diphosphate beta-s
+Cc1ccc2c(c1)CC(=O)N2C	IS7	1,5-dimethyl-3~{h}-indol-2-one
+C(=N)=S	IS8	isothiocyanate
+c1cc(ccc1C[C@@H](C(=O)O)S)I	ISA	3-(4-iodo-phenyl)-2-mercapto-propionic acid
+CC(C)C(=O)O	ISB	isobutyric acid
+C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O	ISC	(5s,6s)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
+C([C@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O	ISD	isoascorbic acid
+[C@H]1([C@H](C(=O)[C@H]([C@@H](C1O)O)O)O)O	ISE	(2r,3s,4s,5r,6s)-2,3,4,5,6-pentahydroxycyclohexanone
+C[C@@H](c1ccc(cc1)C(=O)c2ccc(s2)I)C(=O)O	ISF	p-(2'-iodo-5'-thenoyl)hydrotropic acid
+CN(C)CCCn1c2c(ccc3c2C[C@@H](O3)CN(C)C)nc1N	ISH	(7r)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1h-furo[3,2-e]benzimidazol-2-amine
+CN(C)CCCn1c2c(ccc3c2C[C@H](O3)CN(C)C)nc1N	ISI	(7s)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1h-furo[3,2-e]benzimidazol-2-amine
+C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O	ISJ	(3r,4r)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O)O)O	ISL	6-o-alpha-d-glucopyranosyl-d-fructose
+COC(=O)Cc1ccc(cc1C(=O)O)N	ISM	5-amino-2-(2-methoxy-2-oxoethyl)benzoic acid
+c1ccc2c(c1)C(=O)C(=O)N2	ISN	isatin
+CC(C)c1ccc(cc1)N	ISO	para-isopropylaniline
+CC(C)OP(=O)(O)O	ISP	phosphorylisopropane
+c1ccc2cnccc2c1	ISQ	isoquinoline
+C(CO)C(=O)CN\C=C\C=O	ISS	(2e)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal
+CC[C@H](C)[C@H]([C@H](CC(=O)O)O)N	IST	isostatine
+[H]/N=C(/N)\[Se]CC	ISU	se-ethyl-isoselenourea
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe@@]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7C2)C=C)C)CCC(=O)O)C	ISW	{3,3'-[(9s)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~]dipropanoato(2-)}iron
+C1[C@@H]([C@H]([C@@H](CN1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CO	ISX	(3r,4r,5r)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-d-glucopyranoside
+CC(=C)CCS[P@@](=O)(O)OP(=O)(O)O	ISY	3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid
+[H]/N=N/C(=O)c1ccncc1	ISZ	4-(diazenylcarbonyl)pyridine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCC[C@@H](C(=O)O)N)O	IT1	(2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
+C1COCCN1C(=S)S	IT2	morpholine-4-carbodithioic acid
+CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O	IT3	(1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+c1ccc(cc1)C2(CCN(CC2)C(=S)S)C#N	IT5	4-cyano-4-phenylpiperidine-1-carbodithioic acid
+CC1=CC(=O)[C@H](CC1)C(=C)C	IT9	(-)-isopiperitenone
+c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)OCC(=O)O	ITA	{4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]isothiazol-2(1h)-yl}acetic acid
+c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)O	ITB	2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]isothiazole-4-carboxylic acid 3,3-dioxide
+C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C(=O)N)O)N(C)C	ITC	iso-7-chlortetracycline
+CC1(CN2C(=CSC2=N1)CS/C(=N\C3CCCCC3)/NC4CCCCC4)C	ITD	(6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl n,n'-dicyclohexylimidothiocarbamate
+CNc1[nH]c2cc3c(cc2n1)N=CNC3=O	ITE	2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CCC[C@@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S(=O)(=O)O	ITG	(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2r)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+c1ccc(cc1)CC(=O)Nc2cccc(c2)c3c(n4ccsc4n3)c5ccnc(n5)Nc6ccc(cc6)N7CCOCC7	ITI	n-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)NC(=O)CC[C@@H](C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)C)C	ITL	(3alpha,5alpha,8alpha)-3-[(n,n-bis{2-[bis(carboxymethyl)amino]ethyl}-l-gamma-glutamyl)amino]cholan-24-oic acid
+C([C@@H]([C@H](C(=O)O)O[Mg])C(=O)O)C(=O)O	ITM	isocitric acid-magnesium complex
+C=C(CC(=O)O)C(=O)O	ITN	2-methylidenebutanedioic acid
+C1([C@@H]([C@H](C([C@H]([C@@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O	ITP	phosphoric acid mono-(2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexyl) ester
+C[C@@]12[C@@H]([C@@H](CC(O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)CCCC4)NC)OC	ITQ	1,2,3,4-tetrahydrogen staurosporine
+c1ccc2c(c1)c(c[nH]2)CC(=N)C(=O)O	ITR	imino-tryptophan
+[C@@H]1(C([C@@H]([C@H](C([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O	ITS	inositol 1,3,4,5-tetrakisphosphate
+c1nc2c(c(n1)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O	ITT	inosine 5'-triphosphate
+CCSC(=N)N	ITU	ethylisothiourea
+C=C(Cc1c[nH]c2c1cccc2)C(=O)O	ITW	2-[(1h-indol-3-yl)methyl]prop-2-enoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@H]2c3ccc(cc3)OC	ITX	(1r,2s)-1-hydroxy-2-{[n-({[(1r,2r)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-l-leucyl]amino}-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CCCCCC#CCC#CCC#CCC#CCCCC(=O)O	ITY	icosa-5,8,11,14-tetraynoic acid
+CC[C@H](C)[C@@H](c1nc(cs1)C(=O)O)N	ITZ	2-[(1s,2s)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)I	IU	5-iodouridine-5'-monophosphate
+Cc1cc(c(n1c2ccc(cc2)F)C)C(=O)CN3CCCC3	IU1	1-[1-(4-fluorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C	IU5	iso-ursodeoxycholic acid
+CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O	IU6	6-ethyl-iso-ursodeoxycholic acid
+CCC[C@H]1C[C@H]1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O	IUB	(1s,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-2-{[n-({[(1r,2s)-2-propylcyclopropyl]methoxy}carbonyl)-l-leucyl]amino}propane-1-sulfonic acid
+c1ccc(c(c1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O)[N+](=O)O	IUG	1-(2-nitrophenyl)ethyl udp-galactose
+CN1CC2=C([C@H](NC(=O)N2c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C(=O)N1	IUL	4-[(4r)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile
+[O-][U+4][O-]	IUM	uranyl (vi) ion
+C12=NC(=O)N[C@]1(C(=O)NC(=O)N2)OO	IUP	5-(hydro)peroxoisourate
+C1=C(C(=O)NC(=O)N1)I	IUR	5-iodouracil
+c1cc(c(cc1N/C(=N/O)/c2c(non2)N)Cl)F	IUU	4-amino-n-(3-chloro-4-fluorophenyl)-n'-hydroxy-1,2,5-oxadiazole-3-carboxamidine
+CCOC(=O)C1=C(N(c2[nH]cc[n+]2[C@@H]1c3ccc(cc3)C#N)c4cccc(c4)C(F)(F)F)C	IUY	ethyl (5r)-5-(4-cyanophenyl)-7-methyl-8-[3-(trifluoromethyl)phenyl]-1,5-dihydroimidazo[1,2-a]pyrimidin-4-ium-6-carboxylate
+Cc1c(ccc2c1nc(s2)N)Cl	IV2	5-chloranyl-4-methyl-1,3-benzothiazol-2-amine
+Cc1c-2c(n(n1)C)CN(C(=O)c3ccc(cc3[C@H](Oc4cc2cnc4N)C)F)C	IV7	(10r)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro-1h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one
+CC(C)CC(=O)O	IVA	isovaleric acid
+CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	IVC	isovaleryl-coenzyme a
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)CI	IVF	n-(iodoacetyl)-l-valyl-l-phenylalaninamide
+CCCCSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	IVH	2-(butylsulfanyl)adenosine
+c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)CC(F)(F)F)Cl	IVK	(3r,4r)-n-(4-chlorophenyl)-n'-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3,4-dicarboxamide
+C[N+]1(CCCC1)CCCC(=O)O	IVL	1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium
+CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C	IVM	(2ae,4e,5's,6s,6'r,7s,8e,11r,13r,15s,17ar,20r,20ar,20bs)-6'-[(2s)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2h,7h-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-o-(2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranosyl)-3-o-methyl-alpha-l-arabino-hexopyranoside
+CCOC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	IVS	3-hydroxy-6-methyl-4-(3-methyl-2-(3-methyl-2-(3-methyl-butyrylamino)-butyrylamino)-butyrylamino)-heptanoic acid ethyl ester
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)NC)C	IVU	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{2-[4-methyl-6-(methylamino)pyridin-2-yl]ethyl}benzonitrile
+CCOC(=O)C[P@](=O)([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O	IVV	n-(3-methylbutanoyl)-l-valyl-n-{(1r)-1-[(r)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-l-valinamide
+c1cc(c(c(c1)Cl)/C=C/c2cc(c(c(c2)Br)O)Br)Cl	IW1	2,6-dibromo-4-[(e)-2-(2,6-dichlorophenyl)ethenyl]phenol
+c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl	IW2	2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol
+c1cc(ccc1/C=C/c2cc(c(c(c2)Br)O)Br)N	IW3	4-[(e)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol
+c1cc(cc(c1)N)/C=C/c2cc(c(c(c2)Br)N)Br	IW4	4-[(e)-2-(3-aminophenyl)ethenyl]-2,6-dibromoaniline
+c1cc(ccc1/C=C/c2cc(c(c(c2)Br)N)Br)N	IW5	4-[(e)-2-(4-aminophenyl)ethenyl]-2,6-dibromoaniline
+COc1cccc(c1/C=C/c2cc(c(c(c2)Br)N)Br)OC	IW6	2,6-dibromo-4-[(e)-2-(2,6-dimethoxyphenyl)ethenyl]aniline
+CCCCCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N	IW7	2-(pentylsulfamoyl)-4-sulfamoylbenzoic acid
+CCN(c1cccc(c1)C)C(=O)C2CCN(CC2)S(=O)(=O)c3cc4c(ccn4C(=O)C)cc3Br	IW8	1-[(1-acetyl-5-bromo-1h-indol-6-yl)sulfonyl]-n-ethyl-n-(3-methylphenyl)piperidine-4-carboxamide
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I	IWD	2-amino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-propionic acid
+Cc1ccc(c(c1)C)CN2C=C(C=CC2=O)C(=O)N	IWH	1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
+c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F	IWP	5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1h-pyrazol-3-yl}pyrimidin-4-ol
+c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6	IWR	4-[(3ar,4s,7r,7as)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl]-n-(quinolin-8-yl)benzamide
+c1ccc(cc1)c2nnc(o2)S	IWT	5-phenyl-1,3,4-oxadiazole-2-thiol
+B(c1ccc(c(c1)Cl)/C=C/c2ccc(cc2Cl)B(O)O)(O)O	IWW	[(e)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic acid
+c1cc(ccc1c2ccc(c(c2)NC(=O)C3CCOCC3)N)F	IWX	n-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide
+COC(=O)c1c(cccc1OC\C=C\c2cccc(c2)c3c(c(no3)C(=O)O)CO)O	IX1	5-(3-{3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid
+Cc1c(nc(o1)C)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCC(=C)C)S(=O)(=O)CC(C4)(C)C)O	IX6	(11s)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide
+c1ccc(cc1)C[C@@H](C(=O)NCCCCN=C(N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O	IXA	n-[(2s)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide
+C1=C(O[C@H]([C@@H]([C@@H]1O)OS(=O)(=O)O)O)C(=O)O	IXD	4-deoxy-2-o-sulfo-beta-d-erythro-hex-4-enopyranuronic acid
+CN(c1cc(c(c(c1)F)F)F)c2cc3c(nc(nc3nc2)N)N	IXE	n~6~-methyl-n~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
+CC(C)c1ccc(cc1)N(C)c2cc3c(nc(nc3nc2)N)N	IXF	n~6~-methyl-n~6~-[4-(propan-2-yl)phenyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
+CN(c1ccccc1)c2cc3c(nc(nc3nc2)N)N	IXG	n~6~-methyl-n~6~-phenylpyrido[2,3-d]pyrimidine-2,4,6-triamine
+C[C@H]1CN(C[C@H](N1)C)c2ccc(cc2)Nc3ncc4c(n3)N(C=C(C4=O)C(=O)N)c5ccc6c(c5)CCC6	IXH	8-(2,3-dihydro-1h-inden-5-yl)-2-({4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
+c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2	IXM	(z)-1h,1'h-[2,3']biindolylidene-3,2'-dione-3-oxime
+CCCCCCCCCCCCc1cn(nn1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)c5ccccc5O)O)O)N	IXN	2-(4-dodecyl-1h-1,2,3-triazol-1-yl)-5'-o-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine
+C[N+](C)(C)CC#CCOC1=NOCC1	IXO	4-(4,5-dihydro-1,2-oxazol-3-yloxy)-n,n,n-trimethylbut-2-yn-1-aminium
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNC(=O)CCC(=O)O[C@@H]4c5cc6c(cc5[C@@H]([C@H]7[C@H]4COC7=O)c8cc(c(c(c8)OC)OC)OC)OCO6	IXP	(5s,5as,8as,9s)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate
+CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c3ccc(cc3)F	IXS	n-[(1s)-1-benzyl-2-{[(1s)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-n'-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide
+c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CCNc3ccccc3)c4ccccc4	IXV	n-benzyl-4-phenyl-2-[(n-phenyl-beta-alanyl)amino]thiophene-3-carboxamide
+CCOC(=O)C[C@H]1CO1	IXW	ethyl (2s)-oxiran-2-ylacetate
+CN(C)CCCN1c2ccccc2CCc3c1cccc3	IXX	3-(5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine
+c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CNCCc4c[nH]c5c4cccc5)CCCC3	IXY	n-benzyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+c1ccc(cc1)CNCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4	IXZ	n-benzyl-2-[(n-benzylglycyl)amino]-4-phenylthiophene-3-carboxamide
+Cn1c2ccccc2c3c1C=C(C(=O)N3c4ccc(cc4)[N+](=O)[O-])C#N	IY1	5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido[3,2-b]indole-3-carbonitrile
+c1cc2c(c(c1)O)N=C(NC2=O)c3ccc(cc3)C(F)(F)F	IY5	8-hydroxy-2-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one
+c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCCN	IY7	(2s)-6-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC(=O)N[C@@H](Cc1cc(c(c(c1)I)O)I)C(=O)NCC(=O)O	IYG	n-alpha-acetyl-3,5-diiodotyrosylglycine
+c1c([nH]cn1)[C@@H]([C@@H](COP(=O)(O)O)O)O	IYP	(2r,3s)-2,3-dihydroxy-3-(1h-imidazol-5-yl)propyl dihydrogen phosphate
+c1cc(c(cc1C[C@@H](C(=O)O)N)I)O	IYR	3-iodo-tyrosine
+C[C@H]([C@H](C(=O)O)NC(=O)[C@H](Cc1cc(c(c(c1)I)O)I)NC(=O)C)O	IYT	n-alpha-acetyl-3,5-diiodotyrosyl-d-threonine
+COc1ccc(cc1OC)c2ccc3c(c2)cc(s3)C(N)N	IYX	1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine
+CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NCC4CC4	IYZ	1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}phenyl)ethanone
+c1ccc(cc1)c2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F	IZ1	n-[(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1h-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
+c1ccc(cc1)Cc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F	IZ2	n-[(1s)-1-(4-benzyl-1h-imidazol-2-yl)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide
+c1ccc(c(c1)CC2=C=NC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F)F	IZ3	3-fluoro-n-[(1s)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide
+c1ccc(cc1)CC[C@@H]2CNC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F	IZ4	n-{(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4r)-4-(2-phenylethyl)-4,5-dihydro-1h-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide
+c1ccc(cc1)CCCc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F	IZ5	n-{(1s)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[4-(3-phenylpropyl)-1h-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide
+Cc1ccc(cc1)/C=C/c2c(c3c(nc(nc3[nH]2)N)N)C#N	IZ9	(e)-2,4-diamino-6-(4-methylstyryl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3	IZA	2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz[h]-imidaz[4,5-f]isoquinoline-7-one
+CN1CCOc2c1ccc(c2)S(=O)(=O)N[C@@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)c5[nH]c6ccccc6n5	IZB	n-[(1s)-1-(1h-benzimidazol-2-yl)-2-{4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-4-methyl-3,4-dihydro-2h-1,4-benzoxazine-7-sulfonamide
+C1N=CC(=N1)CC(=O)O	IZC	2h-imidazol-4-ylacetic acid
+CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N	IZD	isothiazolidinone analog
+c1cc(ccc1C[C@@H](c2[nH]c3ccc(cc3n2)C(F)(F)F)NC(=O)C(F)(F)F)[C@@H]4CC(=O)NS4(=O)=O	IZE	n-{(1s)-2-{4-[(5r)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]ethyl}-2,2,2-trifluoroacetamide
+COC(=O)c1c(cccc1OCCCCCNC(=O)[C@H](Cc2ccc(c(c2)Cl)[C@@H]3CC(=O)NS3(=O)=O)NS(=O)(=O)c4ccccc4)O	IZF	methyl 2-{[5-({3-chloro-4-[(5s)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-n-(phenylsulfonyl)-l-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate
+CN1C2=C(C(=C(C1=O)F)Nc3ccc(cc3F)I)C(=O)N(C=N2)C[C@H](CO)O	IZG	3-[(2r)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3h,8h)-dione
+CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4	IZN	(4bs,6s)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3h,5h-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one
+C#CCC[C@@H](C(=O)O)N	IZO	(2s)-2-aminohex-5-ynoic acid
+C[C@H](c1ccc(cc1)CC(C)C)C(=O)O	IZP	(2r)-2-[4-(2-methylpropyl)phenyl]propanoic acid
+c1ccc(cc1)c2nc(on2)[C@@H](c3ccccc3)Oc4cccc5c4cc(s5)C(N)N	IZX	1-{4-[(r)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine
+CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3cccc(c3)N	IZZ	(2s)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol
+B1(c2ccccc2[C@H](O1)C(=C)C(=O)O)O	J00	2-[(3s)-1-oxidanyl-3h-2,1-benzoxaborol-3-yl]prop-2-enoic acid
+C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O	J01	(2r,3z,5r)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)[N+](=O)[O-])S(=O)(=O)O	J02	2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid
+COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O	J03	(2~{r},3~{s},5~{r})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
+COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(c(cc3c2)OC)OS(=O)(=O)N	J04	7-methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium
+CC(C)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Br)S(=O)(=O)O	J05	1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid
+C[C@H](CCC[C@H](C)CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC[C@H](C)CCOP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)CCCC(C)C	J06	[(3s,6z,10z,14z,18z,22z,26z,30z,34z,39s,43s)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34-octaenyl] dihydrogen phosphate
+CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl	J07	4-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-n-ethylpiperidine-1-carboxamide
+[H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)\N	J08	4-[(5-phenyl-1~{h}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
+C[C@]12C=Cc3c(ccc4c3cc(c(c4)OS(=O)(=O)N)OC)[C@@H]1CC[C@@H]2OS(=O)(=O)N	J0A	(13alpha,17alpha)-2-methoxyestra-1,3,5,7,9,11-hexaene-3,17-diyl disulfamate
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(ncn3)N)c(n2)I	J0B	1-[(3~{r})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one
+C#CCCC1(N=N1)CCNCc2c[nH]c3c2C(=O)N=C(N3)N	J0C	2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
+C[n+]1ccc(c2c1cccc2)/C=C\3/N(c4ccccc4S3)C	J0D	1-methyl-4-[(z)-(3-methyl-1,3-benzothiazol-2(3h)-ylidene)methyl]quinolin-1-ium
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)O)c(ncn3)N	J0E	1-[(3~{r})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
+CCCc1c(c2cnc(nc2[nH]1)C)Br	J0F	5-bromanyl-2-methyl-6-propyl-7h-pyrrolo[2,3-d]pyrimidine
+C[C@H](c1cccc(c1)OC)NC(=O)c2ccc(cc2NCCN)c3ccncc3	J0G	2-[(2-aminoethyl)amino]-n-[(1r)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide
+C[C@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)N	J0J	d-alanyl-n-[(2s,6r)-6-amino-6-carboxy-1-{[(1r)-1-carboxyethyl]amino}-1-oxohexan-2-yl]-d-glutamine
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=C(C=C7)O)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C	J0K	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
+CC1(c2cccc(c2NC1=O)NC)C	J0L	3,3-dimethyl-7-(methylamino)-1h-indol-2-one
+C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O	J0M	d-galactonic acid
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=CC=C7)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C	J0N	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
+c1cc(c2c(c1)OCCO2)CNC(=O)c3ccc(cc3)c4ccncc4	J0P	n-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC(=O)N3)O)S(=O)(=O)c4ccc(cc4)OC	J0S	(3as,5r,6ar)-2-oxohexahydro-2h-cyclopenta[d][1,3]oxazol-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1cc(cc(c1)F)c2cn(nn2)C[C@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O	J0T	(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{r})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
+CC(=CC[C@H](Cc1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3O)O)OC)O)C(=C)C)C	J0U	(2s)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2r)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one
+Cc1c2c(oc1S(=O)(=O)O)-c3ccc4c(c3C(=O)C2=O)CCCC4(C)C	J0V	1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid
+CC(C)CN1CCc2cc(ccc2[C@@]1(C)c3ccc(cc3)/C=C/C(=O)O)O	J0W	(e)-3-[4-(6-hydroxy-2-isobutyl-1-methyl-3,4-dihydroisoquinolin-1-yl)phenyl]prop-2-enoic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCC(=O)O)COP(=O)(O)O)O	J0X	2-[[2-oxidanylidene-1-[(2r,4s,5r)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-4-yl]amino]ethanoic acid
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)[C@H](C(F)(F)F)F	J0Y	(2r)-2,3,3,3-tetrafluoro-n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide
+CC(=O)OCc1ccccc1	J0Z	benzyl acetate
+CC(=CCCC(=CCCC(=CC(=O)OC)C)C)C	J10	methyl farnesoate
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F	J11	n-{(3r,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
+c1cc(sc1)CC(=O)Nc2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)NCCCN4CCN(CC4)CCCN	J12	n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-(2-thiophen-2-yl-acetylamino)-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide
+C(CCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O)CCCN=[N+]=[N-]	J13	(1s,2r,3r,4s,6s)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2NCCNCCc3cccc(c3)F	J14	n-{(3s,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
+c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN	J15	n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-alpha-benzamide
+Cc1cccc(c1C)c2ccc(cc2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)c5ccccc5C(F)(F)F	J18	[(8r,9s,10s)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-{[2-(trifluoromethyl)phenyl]sulfonyl}-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
+COc1cc(ccc1O)/C=C\2/C(=O)N/C(=N/c3ccccc3Cl)/S2	J19	(2z,5z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one
+c1c(nc2c(n1)N=C(NC2=O)N)CNCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	J1A	5'-s-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)CNCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C	J1B	5'-s-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C	J1C	5'-s-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)NCCS(=O)(=O)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C	J1D	5'-{[2-({n-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine
+c1cc(cc(c1)F)c2cn(nn2)C[C@@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O	J1E	(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{s})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)N(CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)CP(=O)(O)O)C	J1F	((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-n-(2-((((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCC3	J1G	n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclopentanecarboxamide
+C[N+](C)(CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl)CC(=O)O	J1H	[(3~{r})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN(CCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)CP(=O)(O)O)C	J1I	5'-s-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine
+c1ccc(cc1)C[C@@H](C(=O)NCCCCCN=C(N)N)NC(=O)c2ccc3c(c2)C(=CC(=O)N3)O	J1J	n-[(2s)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide
+c1cc(ccc1C(=O)NCCO)C(=O)O	J1K	4-(2-hydroxyethylcarbamoyl)benzoic acid
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@H](C[C@@H]3C(=O)O)S(=O)(=O)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C	J1L	5'-{[(2r,4r)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine
+C[C@](CCN1C=CC(=CC1=O)c2ccc(cc2)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C	J1M	(2s)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+CCc1c(c2c(ncnc2s1)NC(CO)C(=O)O)c3ccccc3	J1N	2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCCC(=O)O)O	J1O	4-[[(2r)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid
+CCCCN(CCCC)C(=O)c1cc(n(n1)c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C	J1Q	1-[2-[[(3~{s})-3-(aminomethyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]phenyl]-~{n},~{n}-dibutyl-5-methyl-pyrazole-3-carboxamide
+CC1=C([C@@]2([C@]3(C(=C(C4=[N]3[Co+]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)C)C)C	J1R	(1r,19r) cobalt tetradehydrocorrin
+CC1=C([C@]2([C@@]3(C(=C(C4=[N]3[Co+]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)C)C)C	J1S	(1s,19s) cobalt tetradehydrocorrin
+COc1cc2c(cc1[C@H](CN3CCCC3)c4ccc(cc4)c5ccc(cc5)C(=O)NS(=O)(=O)c6ccc(c(c6)S(=O)(=O)C(F)(F)F)N[C@H](CCN7CCOCC7)CSc8ccccc8)OCO2	J1T	4-[4-[(1~{r})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{n}-[4-[[(2~{r})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3	J1V	n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide
+CCCCCCCCCCCCCC[C@H](C(=O)O)Br	J1W	2-bromopalmitic acid
+c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4	J1X	3-(1h-pyrazol-1-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
+c1csc2c1scc2	J1Z	thieno[3,2-b]thiophene
+COc1ccc(cc1)C2(c3cc(ccc3-c4c2c(c(cc4)C=O)C#Cc5ccc(cc5)O)O)c6ccc(cc6)OC	J20	1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde
+CC(=O)NCCOc1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Br	J21	n-{[(1s)-5-({2-[2-(acetylamino)ethoxy]-4-bromobenzoyl}amino)-1-carboxypentyl]carbamoyl}-l-glutamic acid
+Cc1cccc(c1C)c2ccc(cc2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)c5nccn5C	J22	{(8r,9s,10s)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1h-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol
+CCOC(=O)c1c2c(ccc(c2CN3CCOCC3)O)oc1c4ccccc4	J24	ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate
+CCOC(=O)c1c2c(sc1NC(=O)Cc3cccs3)CN(CC2)C(=O)OCC	J25	diethyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate
+Cc1cc(ccc1c2ccc(cc2Cl)C[NH3+])F	J27	[3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium
+Cc1cc(c(cc1/N=N/c2cc(c(cc2N)O)C)S(=O)(=O)O)C	J28	5-[(e)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H]([C@@H](CO[P@@](=O)(O4)S)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)S)O)N	J2A	(2s,5r,7r,8r,10r,12ar,14r,15r,15as,16r)-7-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-14-(6-amino-9h-purin-9-yl)-15,16-dihydroxy-2,10-disulfanyloctahydro-2h,10h,12h-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+c1nc(c2c(n1)n(cn2)[C@@H]([C@@H]([C@@H](CCO[P@@](=O)(O[C@@H]3[C@@H]([C@H](O[C@H]3n4cnc5c4NC(=NC5=O)N)CO)O)S)OP(=O)(O)S)O)O)N	J2B	o-[(1r,2r,3r)-5-{[(s)-{[(2r,3r,4r,5r)-2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro furan-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9h-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (r)-phosphorothioate
+c1cc(oc1)CN2C(=O)CSC23CCN(CC3)C(=O)CCl	J2C	8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCOCC3	J2D	n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide
+CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OC4CCCC4)OC)C	J2E	1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one
+COc1ccc(cc1S(=O)(=O)Nc2ccc(cc2N3CCCCC3)C(F)(F)F)C(=O)O	J2G	4-methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl)phenyl]sulfamoyl}benzoic acid
+Cc1cccnc1CN2CCC3(CC2)C(=O)N(C(=O)N3c4ncccn4)c5ccc(cc5)c6ccccc6	J2H	8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
+Cc1cc([nH]n1)Nc2c3cccn3nc(n2)N4CCN(CC4)C(=O)Cc5c(cc(cc5F)OC)F	J2I	2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone
+c1cc(c(c(c1)O)O)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	J2J	5'-o-[(s)-[(2,3-dihydroxybenzene-1-carbonyl)oxy](hydroxy)phosphoryl]adenosine
+CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)CCNC3=O)c4ccc(nc4)F	J2M	n-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1h-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide
+[H]/N=C(/c1ccc(cc1)NC(=O)[C@H]2CCCNC2=O)\N	J2N	(3~{s})-~{n}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
+Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N	J2O	11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine
+CC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2	J2P	(3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium
+[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OCC)\N	J2Q	~{n}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide
+c1cc2c(cc1Nc3ccc4nnnn4n3)CCC2	J2T	n-(2,3-dihydro-1h-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine
+c1ccc(cc1)Cc2cc(cc3c2C[C@@H](C3=O)Cc4ccc(cc4)O)c5ccc(cc5)O	J2U	(2~{s})-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-2,3-dihydroinden-1-one
+CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(nc4)OC	J2V	n-{4-[3-(6-methoxypyridin-3-yl)-1h-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
+[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OC)\N	J2W	~{n}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide
+c1ccc(cc1)Cc2cc(cc3c2C[C@@](C3=O)(Cc4ccc(cc4)O)CO)c5ccc(cc5)O	J2X	(2~{s})-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-3~{h}-inden-1-one
+CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(cn4)OC	J2Y	n-{4-[3-(5-methoxypyridin-2-yl)-1h-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H](C2=O)O)O	J2Z	(9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one
+c1ccc2c(c1)cccc2CN3CCN(CC3)C(=O)CCCS	J30	4-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxobutane-1-thiol
+c1ccc(c(c1)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	J31	n-{[(1s)-1-carboxy-5-{[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)benzoyl]amino}pentyl]carbamoyl}-l-glutamic acid
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#Cc5ccc(cc5)COC[C@H](CO)OP(=O)(O)O	J32	[(2~{s})-1-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propan-2-yl] dihydrogen phosphate
+c1cc(c(c2c1N=C3NC(=O)CN3C2)Cl)Cl	J33	6,7-bis(chloranyl)-3,5-dihydro-1h-imidazo[2,1-b]quinazolin-2-one
+c1ccc(c(c1)NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	J34	n-{[(1s)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)pentyl]carbamoyl}-l-glutamic acid
+CCC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc(cc2)C(F)(F)F)OC)C(=O)O	J35	(2s)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid
+c1ccc2c(c1)c3c([nH]2)C4=Cc5ccncc5C(=O)N4CC3	J36	parvine
+c1cc(ccc1CN(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)Br	J37	n-({(1s)-6-(4-bromobenzyl)-1-carboxy-7,47-dioxo-52-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodecaoxa-6,46-diazadopentacont-1-yl}carbamoyl)-l-glutamic acid
+C[C@@H]1C(=O)Nc2cc(ccc2S1)C(=O)NO	J38	(2r)-2-methyl-3-oxo-4h-1,4-benzothiazine-6-carbohydroxamic acid
+Cc1cc(n[nH]1)Nc2cc(nc(n2)/C=C/c3ccccc3)N4CCN(CC4)C	J3A	6-(4-methylpiperazin-1-yl)-n-(5-methyl-1h-pyrazol-3-yl)-2-[(e)-2-phenylethenyl]pyrimidin-4-amine
+[H]/N=C(/c1ccc(cc1)NC(=O)[C@@H]2CCCNC2=O)\N	J3B	(3~{r})-~{n}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
+Cc1c(n2ccc3c(c2n1)N[C@H]([C@H]([C@@H]3O)O)c4ccccc4)C	J3C	(7r,8r,9s)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol
+C([C@@H](C(=O)O)NC(=O)O)S	J3D	n-carboxy-l-cysteine
+Cc1c(c(n[nH]1)C)c2cccc3c2[nH]c(c3CCCOc4cccc5c4cccc5)C(=O)O	J3E	7-(3,5-dimethyl-1~{h}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{h}-indole-2-carboxylic acid
+CCN(CC)c1ccc2c(c1)OC(=O)C=C2N(C)CCOc3ccc(cc3)C[C@H]4C(=O)NC(=O)S4	J3F	(5s)-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
+CCCC(=O)OCC(COC(=O)CCC)O	J3G	2-hydroxypropane-1,3-diyl dibutanoate
+CCC(=O)N1CCC[C@H](C1)n2c3c(cn2)c(ncn3)N	J3H	1-[(3~{r})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one
+[H]/N=C(\N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N	J3I	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
+CCCC(=O)OC(CO)CO	J3J	1,3-dihydroxypropan-2-yl butanoate
+C[C@H](CN)O	J3K	(2~{r})-1-azanylpropan-2-ol
+CCC/C=C/C=C/C(=O)[C@@H]1C(=O)[C@@H](N(C1=O)C)C[C@](C(C)C)(C(=O)O)O	J3L	(2s)-3-methyl-2-[[(2s,4r)-1-methyl-4-[(2e,4e)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid
+CC(C)(C)O[C@@H](c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5ccccc5)C(=O)O	J3M	(2s)-tert-butoxy[3-(3,4-dihydro-2h-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid
+CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4cc5cc[nH]c5nc4)c(ncn3)N	J3N	1-[(3~{r})-3-[4-azanyl-3-(1~{h}-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
+CC(C)(C)O[C@@H](c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5cnn(c5)Cc6ccccc6)C(=O)O	J3P	(2s)-[1-(1-benzyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2h-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	J3Q	(2~{r},3~{r},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CN(CCC(=O)O)c1ccc(c2c1non2)[N+](=O)[O-]	J3R	3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid
+C(CCC(=O)N)C[C@@H](CCS)S	J3S	(6s)-6,8-disulfanyloctanamide
+[H]/N=C(/N)\SCc1ccc(cc1)B2O[C@@H](C(=O)O2)O	J3T	[4-[(4~{s})-4-oxidanyl-5-oxidanylidene-1,3,2-dioxaborolan-2-yl]phenyl]methyl carbamimidothioate
+C=CC#CC#C/C=C/C[C@H]([C@H](CCCCC(=O)O)O)O	J3U	(6s,7r,9e)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid
+c1cc(ccc1C(F)(F)F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N	J3V	4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide
+CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccs4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	J3W	methyl ~{n}-[(2~{s})-3,3-dimethyl-1-[2-[3-[(3~{r},6~{s},10~{z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate
+c1cc(oc1CN2C(=O)CSC23CCN(CC3)C(=O)CCl)Br	J3X	4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
+Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)N[C@@H](C)c4ccc(cn4)F)C(=O)N5CCOCC5	J3Y	[6-{[(1s)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1h-pyrazol-3-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O	J3Z	(9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one
+CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C/C/C=C/CC=CCC=CC	J40	[(2r)-1-[oxidanyl-[(2r,3r,5s,6r)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5e,8e)-hexadeca-5,8,11,14-tetraenoate
+CC1=CC(=O)n2c(c(c(n2)c3ccccc3)c4ccccc4)N1	J41	5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4h)-one
+c1cc(c(cc1Br)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	J42	n-{[(1s)-5-({[4-bromo-2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)-1-carboxypentyl]carbamoyl}-l-glutamic acid
+CSc1nc(c(c(n1)Cl)C=O)Nc2ccc(cc2)S(=O)(=O)N	J43	4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide
+c1cc(ccc1Nc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N	J45	4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide
+c1ccc(cc1)CNS(=O)(=O)c2cc(ccc2Br)C(=O)Nc3ccc(cc3)Br	J46	4-bromanyl-n-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide
+c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br	J47	5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile
+c1cc2nc3c1ccc(n3)NC(=O)OCC/C=C/CCOC(=O)Nc4ccc5ccc(nc5n4)C[NH2+]C2	J48	cmbl3a
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2c(ncnc2O)N	J49	(2s)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid
+CC1=C(C(=O)n2c(c(c(n2)c3ccccc3)N4CCCCC4)N1)c5ccc(cc5)O	J4A	6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4h)-one
+CCc1c(c(ccc1C(=O)NNC(=O)[C@H](c2cc(cc(c2)F)F)O)O)C	J4B	~{n}'-[(2~{s})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]-2-ethyl-3-methyl-4-oxidanyl-benzohydrazide
+Cn1c2c(nc1Nc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C	J4C	(2s)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid
+c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)N(=O)=O)S(=O)(=O)[N](=O)O	J4D	1-[3-nitro-2-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]sulfonyl-phenyl]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]urea
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(cc4)F)O	J4E	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+Cc1cc(nc(n1)CCC(=O)O)Nc2nc3c(n2C)C(=O)N(C(=O)N3C)Cc4cc5c([nH]4)cccc5Cl	J4F	3-[4-[[1-[(4-chloranyl-1h-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](CCC(=O)O)N)O)N	J4G	3'-deoxy-3'-[(l-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate)
+c1cc2nc3c1ccc(n3)NC(=O)OCCCNCCCOC(=O)Nc4ccc5ccc(nc5n4)C[NH2+]C2	J4H	cmbl4
+c1ccc(c(c1)[N+](=O)[O-])SCC(=O)NN	J4J	2-[(2-nitrophenyl)sulfanyl]acetohydrazide
+c1cc(ccc1OCc2[nH]nnn2)Cl	J4K	5-[(4-chloranylphenoxy)methyl]-1h-1,2,3,4-tetrazole
+Cn1c2c(nc1NC3CCC(CC3)O)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C	J4L	1-(3,4-dichlorobenzyl)-8-(((1r,4r)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+Cc1cc(n[nH]1)c2cnc3n2nc(cc3)N[C@@H](C)c4ccc(cc4F)F	J4M	n-[(1s)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1h-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(cc(c4)F)F)O	J4N	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+CCc1c(c([nH]c1c2[nH]c3cc(ccc3n2)N4CCOCC4)C)C(=O)C	J4O	1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1h-benzimidazol-2-yl)-1h-pyrrol-3-yl]ethanone
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCC3	J4P	(2r)-2-[(cyclopentylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
+CS(=O)(=O)c1nccn1Cc2cscn2	J4Q	4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole
+Cc1c(c(c([nH]1)c2[nH]c3cc(ccc3n2)N4CCN(CC4)C)c5cnn(c5)C)C(=O)C	J4R	1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1h-pyrrol-3-yl]ethanone
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CC3	J4S	(2r)-2-[(cyclopropylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
+CC1(C=C(C(N1O)(C)C)Cn2cc(nn2)[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=O)NC4=O)COP(=O)(O)O)O)C	J4T	[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-[(2,2,5,5-tetramethyl-1-oxidanyl-pyrrol-3-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H]1CC[C@@]2([C@@H]([C@H]3[C@@H](O2)C[C@H]4[C@@]3(CC[C@H]5[C@@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@H]9[C@H]([C@H]([C@H]([C@@H](O9)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1	J4U	(2~{r},3~{s},4~{s},5~{s},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{s},4~{r},5~{r},6~{r})-2-(hydroxymethyl)-6-[2-[[(2~{r},3~{s},4~{r},5~{r},6~{s})-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-[(1~{r},2~{r},4~{s},5'~{r},6~{r},7~{r},8~{r},9~{s},12~{s},13~{r},16~{s})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxy-butoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5	J4V	(1r,2r,3s,5r,7r)-n-[(1r)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide
+B1(c2cc(ccc2CO1)NC(=O)OC(C)(C)C)O	J4W	tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate
+[H]/N=C(\c1ccc2cc(cc(c2c1)Nc3ncccn3)C(=O)Nc4ccccc4)/N	J4X	6-carbamimidoyl-n-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide
+c1ccc(cc1)[C@H]2C[C@@H]2C(=O)NNC(=O)CCl	J4Y	(1s,2s)-n'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
+Cc1cc(n2c(n1)ncn2)Nc3ccc4cc5ccccc5cc4c3	J4Z	n-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+c1ccc(cc1)c2ccc(o2)CN3C(=O)CSC34CCN(CC4)C(=O)CCl	J50	8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
+CC(=O)NC(=O)OCc1ccccc1	J51	benzyl acetylcarbamate
+C(#N)[Fe](=C=O)(C#N)[Ni]C#[O+]	J52	dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron
+CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O	J53	(2s)-2-{4-butoxy-3-[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid
+c1ccc(cc1)CNC(=O)NC[C@H](C(=O)O)O	J54	(2r)-3-{[(benzylamino)carbonyl]amino}-2-hydroxypropanoic acid
+c1cc(nc(c1)Br)NC(=O)[C@H]2N(CCS2)C(=O)Cn3c4c(cccn4)c(n3)C(=O)N	J55	1-(2-{(2s)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1h-pyrazolo[3,4-b]pyridine-3-carboxamide
+c1ccc2c(c1)cnn2CC(=O)N3CCS[C@H]3C(=O)Nc4cccc(n4)Br	J56	(2s)-n-(6-bromopyridin-2-yl)-3-[(1h-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide
+CC(C)c1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O	J57	(~{e})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid
+c1cc2c(cc1N)c([nH]n2)Br	J58	3-bromanyl-2~{h}-indazol-5-amine
+c1cc(c(c2c1nccn2)Br)NC3=NCCN3	J59	brimonidine
+CC(=O)NCc1cc(cs1)Br	J5A	n-[(4-bromothiophen-2-yl)methyl]acetamide
+C[C@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O	J5B	(3r)-3-hydroxybutyl alpha-d-glucopyranoside
+Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C	J5C	oxymetazoline
+Cc1cc(ccc1F)CNC(=O)C	J5D	n-[(4-fluoro-3-methylphenyl)methyl]acetamide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4)F)F)O	J5E	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+CCCc1ccc(cc1)c2ccc(cc2)N(C[C@H]([C@@H](C)CC)N)C(=O)[C@H]3C[C@@H]3c4ccccn4	J5F	(1s,2s)-n-[(2s,3s)-2-azanyl-3-methyl-pentyl]-n-[4-(4-propylphenyl)phenyl]-2-pyridin-2-yl-cyclopropane-1-carboxamide
+Cc1cc(no1)NC(=O)C	J5G	n-(5-methyl-1,2-oxazol-3-yl)acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4)O	J5H	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] naphthalene-2-carbothioate
+CC1=Cc2ccccc2NC1=O	J5I	3-methyl-1,2-dihydroquinolin-2-one
+Cc1cccc(c1)/C=N/C(=O)C	J5J	n-[(e)-(3-methylphenyl)methylidene]acetamide
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(nc3)N)N	J5K	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=O)NC)O)S(=O)(=O)c4ccc5c(c4)O/C(=N\C)/N5	J5L	(3r,3as,4r,6ar)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[(2z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CC(=O)NCC#Cc1cccc(c1)C(F)(F)F	J5M	n-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide
+CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)C#C)NC(=O)c3ccc(cc3)c4c(sc(n4)N5CCN(CC5)C)F	J5N	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{r})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
+CC(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1	J5P	n'-acetyl-2-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cccc(c4)F)O	J5Q	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+c1cc2c(c(c1)Cl)C(=O)c3ccc(cc3O2)C(=O)O	J5R	8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid
+Cc1ccc(cc1)/C=N/C(=O)C	J5S	n-[(e)-(4-methylphenyl)methylidene]acetamide
+CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)Cl)NC(=O)c3ccc(cc3)c4c(sc(n4)N5CCN(CC5)C)F	J5T	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{s})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
+CC(=O)NCC#Cc1ccccc1	J5V	n-(3-phenylprop-2-yn-1-yl)acetamide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccccc4F)O	J5W	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O	J5X	gibberellin a9
+Cc1ccc(cc1N2CCN(CC2)c3ccc(c(c3)F)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)Nc6ccncc6)Cl	J5Y	nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-n-pyridin-4-yl-d-tryptophanamide
+Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)C(F)(F)F	J5Z	5-methyl-n-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CCN(CC)CCNC(=O)c1c(c([nH]c1C)\C=C/2\c3cc(ccc3NC2=O)Cl)C	J60	5-[(e)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n-[2-(diethylamino)ethyl]-2,4-dimethyl-1h-pyrrole-3-carboxamide
+CC(=O)NNC(=O)c1ccccc1Cl	J61	n'-acetyl-2-chlorobenzohydrazide
+Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4)C)F)O	J62	(2~{r},3~{r},4~{s},5~{r},6~{s})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
+CC(C)C1=C(N(C(=O)N(C1=O)O)COCc2ccccc2)CC3CCCCC3	J63	1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1h,3h)-dione
+CC(=O)NCc1ccc(s1)Cl	J64	n-[(5-chlorothiophen-2-yl)methyl]acetamide
+c1ccc(cc1)\C=C\c2cccc3c2/C(=N/O)/C(=O)N3Cc4cc(cc5c4OCOC5)F	J67	(3z)-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-4-[(e)-2-phenylethenyl]-1h-indole-2,3-dione 3-oxime
+c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCCC3	J6A	(2r)-2-[(cyclohexylacetyl)amino]-n-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
+CC(C)C[C@@H](C(=O)N1C[C@H]([C@@H]2[C@H]1[C@H](CO2)O)N)NC(=O)c3ccc(c(c3)F)c4csc(n4)N5CCN(CC5)C	J6B	~{n}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{r})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
+CC(C)C1=CCC2=C(C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C	J6C	miltiradiene
+CCN(c1cc2c(cc1c3cccc(c3)C(=O)NC4(CC4)c5ncccn5)c(c(o2)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C	J6D	6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-n-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
+c1cc(c(cc1NC(=O)N2CCCC2)c3ccn4c(cnc4n3)N5CCOCC5)F	J6E	~{n}-[4-fluoranyl-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide
+c1cc(ccc1[C@H](CC(=O)O)C2=CC(=O)NC=C2)Cl	J6H	(3~{s})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{h}-pyridin-4-yl)propanoic acid
+CCNc1cc2c(cc1c3ccc(c(c3)C(=O)NC4(CC4)c5ncc(cn5)F)OC)c(c(o2)c6ccc(cc6)F)C(=O)NC	J6J	6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-n-methyl-1-benzofuran-3-carboxamide
+Cc1ccc(cc1CN(C)S(=O)(=O)c2ccccc2)[C@H](CC(=O)O)c3cc4c(c(c3)OC)n(nn4)C	J6K	(3~{s})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid
+CC1(C=Cc2c(ccc3c2OC=C(C3=O)c4cc(c(cc4OC)OC)OC)O1)C	J6L	8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one
+Cn1c2ccc(cc2nn1)[C@H](CC(=O)O)c3ccc(cc3)Cl	J6N	(3~{r})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid
+CC1(c2c(c3cc(c(cc3[nH]2)Cl)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	J6P	(5as,12as,13as)-8,9-dichloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+Cc1cc(ccc1Cl)[C@H](CC(=O)O)c2ccc3c(c2)nnn3C	J6Q	(3~{s})-3-(4-chloranyl-3-methyl-phenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid
+c1cc(ccc1/C=C/C=C/C(=O)C(=O)O)[N+](=O)[O-]	J6S	(3e,5e)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid
+c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N	J6T	2-[2-[[3-[3-[(1~{s})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid
+Cc1cc(ccc1F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N	J6V	3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide
+Cc1ccc2c(c1)cc(s2)CO	J6W	(5-methyl-1-benzothiophen-2-yl)methanol
+CC[C@@H](C)S(=O)(=O)[O-]	J6Z	(2r)-butane-2-sulfonate
+c1cc2c3c(ccc4c3c1C(=O)NC4=O)C(=O)N(C2=O)CC5=CC=[N](C=C5)[Pt]67[NH2]CC[NH]6CC[NH2]7	J70	pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetraone)
+COc1c(c(ncn1)NCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-]	J71	4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide
+c1cc2c(cc1F)/C(=N\O)/C(=O)N2Cc3cc(cc4c3OCOC4)F	J72	(3e)-5-fluoro-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-1h-indole-2,3-dione 3-oxime
+c1cc(ccc1CCn2cc(nn2)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	J73	methanol triazol ethyl phenyl 1o-alpha-d-mannopyranoside
+c1cc(ccc1CCNc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N	J74	4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
+c1ccc(cc1)CNc2c(c(ncn2)NCc3ccc(cc3)S(=O)(=O)N)[N+](=O)[O-]	J75	4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide
+CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2ccc(cc2)CCCCC)O)O	J76	(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(4-pentylphenyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2h-pyran-2-yl]oxy}octanamide
+CCOC(=O)c1ccc(cc1)OCCC2CCN(CC2)c3ccc(nn3)C	J77	(methylpyridazine piperidine ethyloxyphenyl)ethylacetate
+CCOC(=O)c1ccc(cc1)OCCCC2CCN(CC2)c3ccc(nn3)C	J78	(methylpyridazine piperidine propyloxyphenyl)ethylacetate
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)O)NC(=O)C	J79	(2r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid
+c1ccc(c(c1)CC(=O)O)NC(=O)c2cccc(c2)c3cccc(c3)CN	J7B	2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
+[H]/N=C(\N)/NCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	J7C	9-(6-carbamimidamido-5,6-dideoxy-beta-d-ribo-hexofuranosyl)-9h-purin-6-amine
+c1cc(cc(c1)C(=O)O)C#Cc2cc(ccn2)NC(=O)Nc3ccnc(c3)Cl	J7G	3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid
+CCCCC[C@](C)(C(=O)O)N	J7H	(2~{r})-2-azanyl-2-methyl-heptanoic acid
+c1cc(cc(c1)C#Cc2c(c(sn2)NC(=O)Nc3cc(ncc3N)Cl)Br)CO	J7J	n-(5-amino-2-chloropyridin-4-yl)-n'-(4-bromo-3-{[3-(hydroxymethyl)phenyl]ethynyl}-1,2-thiazol-5-yl)urea
+O[Mo]1O[Mo](O1)(O)O	J7N	2,2,4-tris(oxidanyl)-1,3-dioxa-2$l^{4},4$l^{3}-dimolybdacyclobutane
+O[Mo]O[Mo]1(O[Mo](O[Mo](O[Mo](O1)([O])([O])([O])O[Mo]([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])([O])O[Mo]([O])([O])[O])[O]	J7Q	tetrakis($l^{1}-oxidanyl)-[[2,2,2,4,4,4,4,6,6,6,8-undecakis($l^{1}-oxidanyl)-8-(oxidanylmolybdeniooxy)-6-[tris($l^{1}-oxidanyl)molybdeniooxy]-1,3,5,7-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{4}-tetramolybdacyclooct-2-yl]oxy]molybdenum
+COc1ccc2c(c1)NC(=O)CN2c3c4cccnc4nc(n3)Cl	J7S	4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+[O][Mo]([O])([O])O[Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]89(O5[Mo]1(O8)(O[Mo]2(O1[Mo]1(O63[Mo](O12)(O4)(O7)([O])[O])(O9)[O])([O])([O])[O])([O])[O])([O])[O])[O])([O])[O])([O])[O]	J7T	molybdate cluster
+c1ccc(cc1)C2=C3C=CC4=[N]3[Cr]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J7U	chromium-5,10,15,20-tetraphenylporphyrin
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N[C@@H]3[C@H](O[C@H]([C@@H]3O)n4cnc5c4ncnc5N)CO[P@@](=O)(O)OP(=O)(O)O	J7V	3'-(7-diethylaminocoumarin-3-carbonylamino)-3'-deoxy-adp
+c1ccc(cc1)C2=C3C=CC4=[N]3[Mn]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J7X	mn-5,10,15,20-tetraphenylporphyrin
+CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC	J7Z	(2s)-3-[(6-o-alpha-d-galactopyranosyl-beta-d-galactopyranosyl)oxy]-2-[(3z,6z,9z,12z,15z)-octadeca-3,6,9,12,15-pentaenoyloxy]propyl (5z,8z,11z,14z,17z)-icosa-5,8,11,14,17-pentaenoate
+CCOC(=O)c1ccc(cc1)OCCCCC2CCN(CC2)c3ccc(nn3)C	J80	(methylpyridazine piperidine butyloxyphenyl)ethylacetate
+CCCCCCCCCNC(=O)CCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O	J81	(5r,6s,7s)-5,6-dihydroxy-n-nonyl-7-(octanoylamino)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)
+C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4	J82	2-[2-(2-methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-6-morpholin-4-yl-3h-pyrimidin-4-one
+c1ccc(cc1)C2=C3C=CC4=[N]3[Co]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J83	co-5,10,15,20-tetraphenylporphyrin 
+c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N	J84	1-(2,4-dichlorophenyl)-4-(1h-tetrazol-5-yl)-1h-pyrazol-5-amine
+O[Mo]O([Mo]O)[Mo](=O)([O])O([Mo]O)[Mo]([O])([O])([O])[O]	J85	[[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum
+C[C@@H](NCc1cc(cc2c1NC(=O)C(=O)N2)Br)P(=O)(O)O	J86	[(1s)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid
+COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4	J87	n-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
+c1ccc(cc1)c2cccc3c2/C(=N/O)/C(=O)N3Cc4cc(cc5c4OCOC5)F	J88	(3z)-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1h-indole-2,3-dione 3-oxime
+CCCCCCCCc1ccc(cc1)CC[C@](CO)(COP(=O)(O)O)N	J89	(2~{s})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol
+c1cc(cc(c1)C(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCNCC3)c4ccc5c(n4)sc(n5)NC(=O)C6CC6	J8A	3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-n-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
+[O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O]	J8B	molybdate cluster
+CCc1cc(ccc1CN2CC(C2)C(=O)O)/C(=N/OCc3ccc(c(c3)C(F)(F)F)C4CCCCC4)/C	J8C	1-[[4-[(~{e})-~{n}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{c}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid
+COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O	J8D	5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4h-1-benzopyran-4-one
+O[Mo]O[Mo]1(O[Mo](O1[Mo]O)([O])([O])[O])([O])[O]	J8E	oxidanyl-[[2,2,4,4,4-pentakis($l^{1}-oxidanyl)-1-(oxidanylmolybdenio)-1$l^{3},3-dioxa-2$l^{5},4$l^{5}-dimolybdacyclobut-2-yl]oxy]molybdenum
+CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N	J8F	4-[(~{z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile
+COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O	J8G	2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4h-1-benzopyran-4-one
+Cc1ccc(cc1CN2CCOc3ccccc3S2(=O)=O)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C	J8H	(3~{s})-3-[3-[[1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]-4-methyl-phenyl]-3-(7-methoxy-1-methyl-benzotriazol-5-yl)propanoic acid
+CN(C)CCN(C)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N	J8L	4-[(~{z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile
+c1ccc(cc1)Sc2cc(c(cc2C(=O)NCCCO)S(=O)(=O)N)Cl	J8N	4-chloranyl-~{n}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide
+CN(CCO)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N	J8O	4-[(~{z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile
+CCCCNC(=O)c1cc(c(cc1SCCc2ccccc2)Cl)S(=O)(=O)N	J8Q	~{n}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
+CN(CCO)c1ccc(cn1)/C=C(\C#N)/c2ccc(cc2)C#N	J8R	4-[(~{z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile
+COc1cc(ccc1C(=O)N2CCC(CC2)Cc3ccccc3)SC	J8S	(4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone
+CC(C)(COP(=O)(O)O)[C@H](C(=O)N)O	J8T	[(3~{r})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
+CN(C)CCN(C)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N	J8U	4-[(~{z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile
+c1ccc(cc1)OC2=C(C(=O)NC(=C2)C(F)(F)F)C(=O)Nc3cccc(c3)C(=O)O	J8V	3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid
+C([C@@H](C(=O)O)N)OC(=O)CC(=O)O	J8W	(2~{s})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
+CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2nc3ccccc3o2	J8X	(~{e})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile
+c1cc(cc(c1)NC(=O)C2=CC=C(NC2=O)C(F)(F)F)c3[nH]nnn3	J8Y	2-oxo-n-[3-(1h-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
+Cc1cccc(c1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2	J8Z	(2r)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate
+c1cc(ccc1CNC2=C(C(=O)NC=N2)[N+](=O)[O-])S(=O)(=O)N	J90	4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide
+c1ccc(c(c1)Oc2c(cccc2NC(=O)C3=CC=C(NC3=O)C(F)(F)F)C(=O)O)F	J91	2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid
+COC(=O)CCCNC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N	J92	methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
+CN(CCO)c1cc2c(s1)cc(s2)/C=C(\C#N)/c3ccc(cc3)C#N	J93	4-[(~{z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile
+C[N+]1(CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3)C	J94	(5s)-6,6-dimethyl-5-[(6r)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
+CCCCNC(=O)c1cc(c(cc1NC2CCCCC2)Cl)S(=O)(=O)N	J95	~{n}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide
+c1ccc(c(c1)CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	J96	n-{[(1s)-1-carboxy-5-({[2-({4,44-dioxo-48-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]acetyl}amino)pentyl]carbamoyl}-l-glutamic acid
+c1cc(cc(c1)NC(=O)C2=C(C=C(NC2=O)C(F)(F)F)Sc3c(cccc3Cl)Cl)C(=O)O	J97	3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(nn3C)C4CC4)-c5cc(c(nc5)N)O1)C)F	J99	(10r)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10h)-one
+C(CC(=O)O)[C@@H](C(=O)NC[C@@H](C(=O)O)N)N	J9A	n-[(2s)-2-amino-2-carboxyethyl]-l-alpha-glutamine
+c1cc(ccc1C#N)Nc2nc(cc(n2)n3cc(nc3)CCO)N	J9D	4-({4-amino-6-[4-(2-hydroxyethyl)-1h-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile
+c1c(cc(c2c1[nH]c(c2)C(=O)NC3CCC4(CCCCC4)CC3)F)F	J9E	4,6-difluoro-n-(spiro[5.5]undecan-3-yl)-1h-indole-2-carboxamide
+c1ccc(c(c1)C2=N[C@H](CS2)C(=O)O)O	J9F	(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+c1ccc(cc1)CN2c3c(cc(cn3)Nc4ccc(cc4F)F)NC2=O	J9G	3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one
+Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C]=[C]5)(C)N	J9H	pentacoordinate pt(ii) compound
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSCCC(=O)NCc2cccnc2	J9K	tert-butyl [(2s)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate
+Cc1cccc2c1c(c[nH]2)[C@@H](C)[C@H]3C(=O)N=C(O3)NC	J9L	(5s)-2-(methylamino)-5-[(1r)-1-(4-methyl-1h-indol-3-yl)ethyl]-1,3-oxazol-4-one
+c1cc(sc1)C2=NN=C(C2)N	J9N	5-thiophen-2-yl-4~{h}-pyrazol-3-amine
+CCOc1ccccc1N2C(=O)c3ccccc3N=C2[C@H](C)N4CCN(CC4)C(=O)COc5ccc(cc5)Cl	J9O	2-[(1s)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
+CCCC[C@@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O	J9P	(11alpha,12alpha,13e,16s)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid
+c1ccc(c(c1)c2cnco2)N	J9Q	2-(1,3-oxazol-5-yl)aniline
+Cn1cc(cn1)c2cc(nc3c2ccc(c3)CN4CCO[C@@H](C4)C(F)(F)F)C(=O)N	J9R	4-(1-methylpyrazol-4-yl)-7-[[(2~{s})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
+COc1ccccc1[C@@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4	J9S	n-[(2s)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-n-[(thiophen-2-yl)methyl]glycine
+COC(=O)c1ccnc(c1)N	J9T	methyl 2-azanylpyridine-4-carboxylate
+C[C@@H]1c2c(c(cc(n2)C(=O)N)c3ccc(cc3F)F)CCN1Cc4ccnn4C	J9U	(8~{r})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{h}-1,7-naphthyridine-2-carboxamide
+COc1ccccc1[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4	J9V	n-[(2r)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-n-[(thiophen-2-yl)methyl]glycine
+c1ccc2c(c1)C(=O)NC(=O)O2	J9W	1,3-benzoxazine-2,4-dione
+CCNC(=O)C(=O)O	J9X	2-(ethylamino)-2-oxidanylidene-ethanoic acid
+CN/C(=[N+](\CCC[C@@H](C(=O)[O-])N)/O)/N	J9Y	(2s)-2-amino-5-{[(e)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate
+c1ccc(cc1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2	J9Z	(2r)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate
+CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-]	JA1	5-hexyl-2-(4-nitrophenoxy)phenol
+c1ccc2c(c1)[nH]c(n2)CCCCCN	JA2	5-(1h-benzimidazol-2-yl)pentan-1-amine
+CCc1cc(c(cc1F)Oc2cccnc2F)O	JA3	5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol
+COc1ccccc1[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3cc4c(cc3Cl)NC(=O)C=C4	JA4	n-[(2r)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-n-[(thiophen-2-yl)methyl]glycine
+COC(=O)c1cc2cc(sc2[nH]1)CO	JA5	methyl 2-(hydroxymethyl)-6~{h}-thieno[2,3-b]pyrrole-5-carboxylate
+c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCCC(=O)O	JA7	5-{2-[(1r)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid
+c1cc2c(cc1Br)nc(s2)N	JA8	5-bromanyl-1,3-benzothiazol-2-amine
+CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl	JA9	6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1h-benzimidazole
+CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O	JAA	{(1r,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetic acid
+c1cnoc1C(=S)N	JAB	1,2-oxazole-5-carbothioamide
+c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4	JAC	1-({4-[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4h)-yl]phenyl}methyl)-2-pyrrolidinone
+Cc1c(ccc(c1Cl)C#N)C2=NN3CC[C@@H]([C@H]3[C@@H]2OC)O	JAD	2-chloro-4-[(3s,3as,4s)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3h-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile
+c1cc2c(cc1N)scn2	JAE	1,3-benzothiazol-6-amine
+Cc1cc(cc(c1NS(=O)(=O)c2ccc(cc2)OC)C)O	JAF	n-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
+CC1=NC2=C(CCCC2)C(=O)C1c3ccc(cc3)Oc4ccc(cc4)OC(F)(F)F	JAG	2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{h}-quinolin-4-one
+c1ccc(cc1)c2ccc(cn2)CN	JAH	(6-phenylpyridin-3-yl)methanamine
+CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O	JAI	n-({(1r,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl}acetyl)-l-isoleucine
+c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCC(=O)O	JAJ	4-{2-[(1r)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid
+Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3	JAK	2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
+c1cc(c(cc1Cl)Cc2cc(ccc2O)Cl)O	JAL	4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol
+Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5cccc(c5)Cl)N	JAN	6-[(s)-amino(4-chlorophenyl)(1-methyl-1h-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1h)-one
+CCCCCCCCCCCCCCC[C@H](C)CO	JAO	(2s)-2-methylheptadecan-1-ol
+C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C(C)C)C(=O)N2)Cc4ccccc4	JAR	6-[(3s,4s)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+C[C@@H]1CC\C=C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C@H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)CO)OC)OC)O)O)C)OC	JAS	jaspisamide a
+c1cc(ccc1CCN)S(=O)(=O)O	JAT	4-(2-azanylethyl)benzenesulfonic acid
+CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3Cl)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	JAU	5-chloranyl-n2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-n4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2cccc(c2)O)c3ccccc3	JAV	4-fluoro-n'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide
+c1cc2c(cc[nH]2)cc1C(=O)N	JAW	1~{h}-indole-5-carboxamide
+C/C(=C(/C(=O)O)\O)/c1c[nH]c2c1cccc2	JAX	(e)-3-(1h-indol-3-yl)-2-oxidanyl-but-2-enoic acid
+c1ccc(c(c1)[C@@H]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[C@@H](Nc6ccccc6C5=O)c7ccccc7F)F	JAY	(2r)-2-(2-fluorophenyl)-3-[2-[4-[(2r)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one
+C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)OP(=O)(O)O	JAZ	6-phosphocyclophellitol
+CCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	JB1	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N	JB2	gdp-perosamine
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)NC(=O)C	JB3	gdp-n-acetylperosamine
+c1cc2c(cc1N)nccn2	JB5	quinoxalin-6-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCO[P@](=O)(OC[C@@H](CO[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)S)O)O)N	JB6	(2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-[2-[[(2s)-3-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol
+CC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Cc1ccc(cc1)Br	JB7	n-({(1s)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-l-glutamic acid
+B(c1ccc2cc[nH]c2c1)(O)O	JB8	1~{h}-indol-6-ylboronic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)/C=C\CN=C(N)N)O)O	JB9	~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-4-[[1-[[3-[(~{z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide
+C[C@@](C[C@H]1CN(C(=O)O1)c2ccc(cc2)C#CC3CC3)(C(=O)NO)S(=O)(=O)C	JBA	(2r)-3-{(5s)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)propanamide
+c1cc(cc(c1)C(=O)O)CSc2cccs2	JBB	3-(thiophen-2-ylsulfanylmethyl)benzoic acid
+c1cc(c(cc1/N=N/c2ccc(c(c2)C(=O)O)O)C(=O)O)O	JBC	5-[(e)-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid
+c1cc(c(nc1)N)[N+](=O)[O-]	JBE	3-nitropyridin-2-amine
+c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O)F	JBF	3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
+CN1CCN(CC1)CCOc2c(cc(c(c2Cl)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl	JBG	n-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-l-phenylalanine
+c1ccc2c(c1)C(NC=N2)O	JBH	3,4-dihydroquinazolin-4-ol
+COc1ccc(cc1)Nc2ncc3c(n2)n(c(n3)Nc4ccccc4F)C5CCCC5	JBI	9-cyclopentyl-n~8~-(2-fluorophenyl)-n~2~-(4-methoxyphenyl)-9h-purine-2,8-diamine
+c1cc(ccc1c2ccc3c(c2)C(=O)N(C3)[C@H](c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC6	JBJ	(2r)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2h-isoindol-2-yl}-n-(1,3-thiazol-2-yl)acetamide
+c1cc(c(c(c1)O)N)[N+](=O)[O-]	JBK	2-azanyl-3-nitro-phenol
+c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)O)c4ccccc4O)O	JBL	4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid
+c1cnoc1C(=O)N	JBN	1,2-oxazole-5-carboxamide
+Cc1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F	JBO	2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid
+c1cc2c(c(c1)F)C(NC=N2)O	JBQ	5-fluoranyl-3,4-dihydroquinazolin-4-ol
+c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O	JBR	4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid
+Cc1c(c(on1)C)c2ccc3c(c2)c(nc(n3)c4cnn(c4)CC(C)(C)O)N5CCOC[C@@H]5c6ccccc6	JBS	1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3s)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1h-pyrazol-1-yl)-2-methylpropan-2-ol
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N[C@H](C)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O	JBT	gdp-n-acetylperosamine-coenzyme a
+C([C@H]([C@@H](CO)O)O)C(=O)C(=O)O	JBU	(4r,5r)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid
+Cc1nc2c(cccc2n1c3ccc(s3)C(=O)NC4CC4)C#N	JBW	5-(4-cyano-2-methyl-1h-benzimidazol-1-yl)-n-cyclopropylthiophene-2-carboxamide
+C[C@@H](C(=O)O)N1C(=N/C(=C\c2ccc(cc2)O)/C1=O)CN	JBY	(2s)-2-{(4z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}propanoic acid
+COc1ccc2c(c1)sc(n2)C(=O)O	JBZ	6-methoxy-1,3-benzothiazole-2-carboxylic acid
+CCCC[C@@H](CCO)[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	JC1	(1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2s,3s)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
+CC(C)C[C@@H](C(=O)N[C@@H](CCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	JC2	(2~{s})-4-azanyl-2-[[(2~{s})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid
+CN1C[C@H](C[C@H](C1)NC2=NC3=C(CCC3)C(=O)N2C)c4ccccc4	JC3	3-methyl-2-[[(3r,5r)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-one
+c1ccc(c(c1)c2cc(cc(c2)[N+](=O)[O-])C(=O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O	JC4	2'-(beta-d-galactopyranosyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic acid
+COc1c(cc(cc1OCCCN2Cc3ccccc3C2)CN)CN	JC5	[3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O	JC6	steviolbioside
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2cccc(c2c3cccc(c3)NS(=O)(=O)C)C(F)(F)F)CO)O)O	JC7	n-[2'-{[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide
+c1cc(ncc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4	JC8	6-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide
+CN[C@@]1(CCCCC1=O)c2ccccc2Cl	JC9	(2~{s})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
+Cc1ccc(cc1)S(=O)(=O)n2ccc3c2cccc3	JCB	n-(p-toluenesulfonyl)-indole
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccccc2c3cc(cc(c3)[N+](=O)[O-])C(=O)O)CO)O)O	JCD	2'-{[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid
+c1ccnc(c1)Cn2ccc3c2cc(cc3)c4cc(n[nH]4)N	JCE	5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{h}-pyrazol-3-amine
+Cc1ccc2cc(cc(c2n1)O)C(=O)N	JCF	8-hydroxy-2-methylquinoline-6-carboxamide
+C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3)(C(=O)NO)S(=O)(=O)C	JCG	(2r)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2h)-yl}-n-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
+COc1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N	JCH	3-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1~{h}-pyrazol-5-amine
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCC5	JCK	5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl	JCL	4-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl) butyl phosphate
+COc1cccc(c1)COC(=O)c2c[nH]nc2	JCQ	(3-methoxyphenyl)methyl 1~{h}-pyrazole-4-carboxylate
+c1ccc2c(c1)C(=CC3=[N]2[Ru]4567([C]8[C]4[C]5[C]6[C]78)(OC3=O)[O])N9CCN(CC9)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2	JCT	biotinylated ruthenium cyclopentadienide
+c1cnc(cc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4	JCW	2-[5-[(1~{r},2~{r},4~{s})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide
+C[C@H](c1ccccc1)[C@@H](C(=O)O)N	JCX	(2s,3r)-2-azanyl-3-phenyl-butanoic acid
+Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F	JCY	1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1h-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1h-indazol-3-yl)-n,n-dimethylmethanamine
+c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N	JCZ	3-(1~{h}-indol-6-yl)-1~{h}-pyrazol-5-amine
+CC(C)Oc1ccc(cc1)c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)O	JD1	[({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)
+c1ccnc(c1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JD2	5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+C[C@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N	JD3	(2s,3r)-2-azanyl-3-(1h-indol-3-yl)butanoic acid
+c1cc(ccc1c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)O)OC3CC3	JD5	[({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)
+c1cc(ccc1C#N)[C@@H]2CCCc3n2cnc3	JD7	4-[(5s)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
+CN1CCCC[C@@H]1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JD8	5-azanyl-3-[1-[[(2~{r})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+COc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	JDB	5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](C(C)C)NC(=O)[C@H]3Cc4ccc(cc4CN3)O	JDC	(3r)-7-hydroxy-n-{(2s)-1-[(3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
+CNC(=O)CN(C1CCN(CC1)c2ccccn2)C(=O)Cc3ccc(cc3)n4cccn4	JDD	n-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-n-(1-pyridin-2-ylpiperidin-4-yl)ethanamide
+COc1cc(cc(c1)c2cccnc2)COC(=O)c3c[nH]nc3	JDE	(3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{h}-pyrazole-4-carboxylate
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O	JDF	steviol-19-o-glucoside
+CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5	JDG	2-cyclohexyl-7-methoxy-n-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3h-1,4-benzodiazepin-5-amine
+CN1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N	JDH	5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO	JDJ	23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCCC5	JDK	3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazol-5-amine
+c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)CO	JDM	5-{2-[2-(hydroxymethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+B(c1ccc2c(c1)cc[nH]2)(O)O	JDN	1~{h}-indol-5-ylboronic acid
+C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O	JDO	rebaudioside d
+Cc1cc2c(cccc2n1c3nc4c(c(n3)NCc5ccccc5)COCC4)C(=O)N	JDP	1-[4-(benzylamino)-7,8-dihydro-5h-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1h-indole-4-carboxamide
+c1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N	JDQ	3-[1-(phenylmethyl)indol-6-yl]-1~{h}-pyrazol-5-amine
+CSc1nc(c(c(n1)Cl)C=O)NCc2ccc(cc2)S(=O)(=O)N	JDR	4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide
+c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N\O)O	JDS	6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{z})-hydroxyiminomethyl]pyridin-3-ol
+CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	JDT	2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate)
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	JDV	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate
+CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3cccc(c3C(=O)O)OC	JDX	2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]benzoic acid
+CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7	JDY	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate
+C[C@H](c1c[nH]c2c1c(ccc2)Cl)[C@H]3C(=O)N=C(O3)NC	JE0	(5s)-5-[(1r)-1-(4-chloranyl-1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one
+CC1(CCN(CC1)C2=NC=C(C(=O)N2)Sc3cccnc3C(F)(F)F)CN	JE1	2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3h)-one
+Cc1ccccc1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C	JE2	(4r)-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-n-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide
+C[C@H](c1c[nH]c2c1c(ccc2)F)[C@H]3C(=O)N=C(O3)NC	JE3	(5s)-5-[(1r)-1-(4-fluoranyl-1h-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one
+CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4Cl)Cl)C(=O)N2C)N	JE4	6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+Cc1cc(cc(n1)NC(=O)Cc2ccccc2)N3CC[C@@](C3=O)(C#N)C4CC4	JE6	~{n}-[4-[(3~{s})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide
+c1cc(c(c(c1)Cl)Cl)Sc2ccc3c(n2)[nH]c(n3)N	JE7	5-[(2,3-dichlorophenyl)sulfanyl]-3h-imidazo[4,5-b]pyridin-2-amine
+CN1CCC[C@@H](C1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JE8	5-azanyl-3-[1-[[(3~{s})-1-methylpiperidin-3-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+CC(=O)c1cc(c2n1ccc(c2)OC(=O)N(C)C)C(=O)Nc3cc(cc(c3F)c4cnn(c4)C5CC5)CO	JE9	3-acetyl-1-((3-(1-cyclopropyl-1h-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate
+C[C@H]1[C@H](C2(CCN(CC2)C3=Nc4c(c([nH]n4)c5ccnc(c5Cl)NC6CC6)C(=O)N3C)CO1)N	JEA	6-[(3s,4s)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1cc(cnc1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JEB	5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+Cc1ccc(cc1)c2cc(c3c(n[nH]c3n2)c4ccc(cc4)Br)C(=O)O	JED	3-(4-bromophenyl)-6-(4-methylphenyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCOCC5	JEE	5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+C[C@@H](COC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC(C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OCCOC)N	JEF	o-(o-(2-aminopropyl)-o'-(2-methoxyethyl)polypropylene glycol 500)
+C1C(CC1(C(=O)O)N)C(=O)O	JEG	trans-1-aminocyclobutane-1,3-dicarboxylic acid
+CC(C)N1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N	JEH	5-azanyl-3-[1-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+CN1C(=Cc2c(c(no2)c3ccccc3Cl)C1=O)c4ccc(cc4)CN(C)C	JEJ	3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5h)-one
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCCC5	JEK	5-azanyl-3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+Cc1cccc(c1)N2CCN(CC2)c3ccc(nn3)OC	JEN	3-methoxy-6-[4-(3-methylphenyl)-1-piperazinyl]pyridazine
+C[C@]12CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	JEO	(3~{z},5~{r},8~{r},9~{s},10~{r},13~{s},14~{s})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione
+c1ccc(cc1)CN2CCC[C@H](C2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N	JEQ	5-azanyl-3-[1-[[(3~{r})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+CCc1cc(cc(c1OC[C@H](CO)O)C)c2nc(on2)c3cc(nc(c3)OC)C4CCCC4	JER	(2~{s})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol
+COC(=O)COc1cccc(c1)COC(=O)c2c[nH]nc2	JET	[3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methyl 1~{h}-pyrazole-4-carboxylate
+CC(C)Oc1ccc(cc1C#N)c2nc(no2)c3cccc4c3CC[C@@H]4NCCO	JEU	5-[3-[(1~{s})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{h}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile
+CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3	JEV	n-{2-[(8s)-1,6,7,8-tetrahydro-2h-indeno[5,4-b]furan-8-yl]ethyl}propanamide
+c1ccc(c(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)C#N	JEW	2-[[6-(5-azanyl-1~{h}-pyrazol-3-yl)indol-1-yl]methyl]benzenecarbonitrile
+c1ccc(cc1)c2cc(sc2C(F)(F)F)c3nc(no3)c4cccc(c4)C(F)(F)F	JEX	5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
+CC(=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC	JEY	n-[2-(5-methoxy-2-phenyl-1h-indol-3-yl)ethyl]acetamide
+Cc1cccc(c1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4ccncc4	JF0	1-(5-((3'-methyl-[1,1'-biphenyl]-4-yl)oxy)pentyl)-3-(
+C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C	JF1	(1s,5s,8s,9ar)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2h-quinolizinium
+C[C@@H]1CCC[NH+]2[C@]1(C[C@@H](CC2)C(=C)C)C	JF2	(1r,5r,8r,9as)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2h-quinolizinium
+C[C@@H]1CCC[C@]2([NH+]1C[C@H](CC2)C(=C)C)C	JF4	(3r,5s,6r,9ar)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2h-quinolizinium
+c1ccc(cc1)COC(=O)c2c[nH]nc2	JF5	(phenylmethyl) 1~{h}-pyrazole-4-carboxylate
+c1ccc(cc1)c2c(non2)N	JF6	4-phenyl-1,2,5-oxadiazol-3-amine
+c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N	JF8	5-azanyl-3-(1~{h}-indol-6-yl)-1~{h}-pyrazole-4-carbonitrile
+c1c(onc1C(=O)N(C2CCCCC2)C3CCCCC3)C4CC4	JF9	n,n-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide
+c1ccc2c(c1)[nH]c(n2)CN3C=C(NC3=O)Cc4ccc(cc4Cl)Cl	JFA	1-[(1h-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2h-imidazol-2-one
+c1cc(cc2c1ccn2Cc3ccncc3)c4c(c([nH]n4)N)C#N	JFB	5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+C1(=C(NC(=O)NC1=O)N)Br	JFD	6-amino-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
+COc1cccc(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N	JFE	3-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-1~{h}-pyrazol-5-amine
+c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCC5	JFH	3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{h}-pyrazol-5-amine
+CNCc1cccc(c1)Cl	JFJ	1-(3-chlorophenyl)-n-methylmethanamine
+COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5	JFK	(1s,6r)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one
+CS(=O)(=O)NCCc1ccccc1	JFM	n-(2-phenylethyl)methanesulfonamide
+C[C@H](COC)N	JFN	(2r)-1-methoxypropan-2-amine
+CCC(=O)Nc1nc(cs1)C	JFP	n-(4-methyl-1,3-thiazol-2-yl)propanamide
+C1CC(CCC1N)NCCCN	JFQ	trans-n-(3-aminopropyl)cyclohexane-1,4-diamine
+c1ccc2c(c1)ncn2c3ccc(cc3)CO	JFS	[4-(1h-benzimidazol-1-yl)phenyl]methanol
+c1cc(cnc1)Cn2cc(c3c2cc(cc3)c4c(c(n[nH]4)N)C#N)Cl	JFT	3-azanyl-5-[3-chloranyl-1-(pyridin-3-ylmethyl)indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+COC(=O)c1ccccc1Oc2ccc(cc2)N	JFV	methyl 2-(4-aminophenoxy)benzoate
+Cc1c2cc(ccc2[nH]n1)NS(=O)(=O)CCCCF	JFX	4-fluoro-n-(3-methyl-1h-indazol-5-yl)butane-1-sulfonamide
+CC[C@H](C)c1ccc(cc1)NS(=O)(=O)C	JFY	n-{4-[(2s)-butan-2-yl]phenyl}methanesulfonamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O	JFZ	4-nitrophenyl 6-deoxy-alpha-l-galactopyranoside
+c1ccc(cc1)CCCCCCC(=O)c2nnc(o2)c3ccccn3	JG1	7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one
+c1ccc(cc1)CCCCCCC(c2nnc(o2)c3ccccn3)(O)O	JG2	7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol
+c1ccc(cc1)C[C@@H]([C@H](C[N@]2CCC[C@H]2C(=O)O)O)N	JG3	1-[(2s,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-proline
+c1cc(sc1)c2[nH]ccn2	JG4	2-(thiophen-2-yl)-1h-imidazole
+CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)COCCOCCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)COCCOCCNC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1	JG5	(2s)-6-acetamido-2-[[2-[2-[2-[[4-carboxy-4-[[(4s)-4-carboxy-4-[[2-[2-[2-[4-[16-(1h-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]acetyl]amino]butanoyl]amino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl)N5CCN(CC5)CC	JG7	(2s,4r)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
+c1ccc2c(c1)c3c(o2)C(=O)NC=N3	JG8	benzofuro[3,2-d]pyrimidin-4(3h)-one
+CCNC(=O)Nc1cc(on1)C	JGA	n-ethyl-n'-(5-methyl-1,2-oxazol-3-yl)urea
+c1cc(c(cc1/C=C(\C#N)/C(=O)N)O)O	JGB	(~{e})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide
+CN(C)c1ccncc1	JGD	n,n-dimethylpyridin-4-amine
+C[C@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O	JGE	(r)-ketoprofen
+c1cc(ccc1CNC(=O)N2CCOCC2)C#N	JGG	n-[(4-cyanophenyl)methyl]morpholine-4-carboxamide
+[O][W]1234O[Ce]56789(O[W]%10%11(O1)(O2P12O%12%13[W]%14%15(O5)(O[W]5%16(O6)(O11[W]6(O%10)(O5)(O[W]5%10(O%11)(O22[W]%11(O3)(O5)(O[W]%12(O4)(O%14)(O[W]%133(O%15)(O[W]1(O%16)(O6)(O[W]2(O%11)(O%10)(O3)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])O[W]123(O[W]45(O7)(O1P16O7%10[W]%11%12(O8)(O[W]8%13(O9)(O11[W]9(O4)(O8)(O[W]48(O5)(O65[W]6(O2)(O4)(O[W]7(O3)(O%11)(O[W]%102(O%12)(O[W]1(O%13)(O9)(O[W]5(O6)(O8)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	JGH	1:2 ce-substituted keggin
+C[C@H](c1ccccc1)NC(=O)COC	JGJ	2-methoxy-n-[(1r)-1-phenylethyl]acetamide
+CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(onc4N)C)C(=O)C	JGK	~{n}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
+CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NN	JGM	{n}-[(2~{s})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide
+Cc1cc(c2c(c1CN3CC[C@@H](C[C@H]3CO)OC)cc[nH]2)C	JGN	[(2~{s},4~{s})-1-[(5,7-dimethyl-1~{h}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol
+c1cc2c(cc1C(=O)N3CCCCCC3)OCO2	JGP	(azepan-1-yl)(2h-1,3-benzodioxol-5-yl)methanone
+CCO[C@H]1CCN([C@@H](C1)c2ccc(cc2)C(=O)O)Cc3c4cc[nH]c4c(cc3OC)C	JGQ	4-[(2~{s},4~{s})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{h}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
+c1cc(cc(c1)NC(=O)c2ccno2)C(=O)O	JGS	3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid
+Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br	JGT	~{n}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{h}-imidazol-2-amine
+c1cc2c(cc1C(=O)N3CCOCC3)NNS2	JGV	(2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone
+CC1=Nc2ccccc2C(=O)C1c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F	JGW	2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{h}-quinolin-4-one
+Cn1ccc(n1)C(=O)NC[C@@H]2CCCO2	JGY	1-methyl-n-{[(2s)-oxolan-2-yl]methyl}-1h-pyrazole-3-carboxamide
+Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)c4ccc(cc4)S(=O)(=O)N)C)C#N	JGZ	4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide
+CCCCCCCCCCCCCCCC(=O)N(CCCC[C@@H](C(=O)O[C@H](C)CC(=O)N[C@H]1CCCCN(C1=O)O[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)NC(=O)[C@H]4COC(=N4)c5ccccc5O)O	JH0	6-(hydroxy-hexadecanoyl-amino)-2-{[(4s)-2-(2-hydroxy-phenyl)-4,5-dihydro-oxazole-4-carbonyl]-amino}-hexanoic acid 2-[(3s)-1-(tert-butyl-diphenyl-silanyloxy)-2-oxo-azepan-3-ylcarbamoyl]-(1s)-1-methyl-ethyl ester
+CCn1cc(cn1)C(=O)NCc2ccc(cc2)F	JH1	1-ethyl-n-[(4-fluorophenyl)methyl]-1h-pyrazole-4-carboxamide
+CC[C@]1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C	JH2	methyl (2e,6e)-9-[(2r,3s)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
+C/C(=C\CC/C(=C/C(=O)OC)/C)/CC[C@@H]1C(O1)(C)C	JH3	methyl (2e,6e)-9-[(2r)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
+CNc1ncccn1	JH4	n-methylpyrimidin-2-amine
+c1ccc(cc1)CN[n+]2cnn(c2)Cc3ccccc3	JH5	1-benzyl-4-(benzylamino)-1h-1,2,4-triazol-4-ium
+CN1C(=CC(=O)N1)Nc2ccccc2	JH7	1-methyl-5-(phenylamino)-1,2-dihydro-3h-pyrazol-3-one
+CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cccc4	JH8	2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{n},~{n}-dimethyl-ethanamide
+CC1CCN(CC1)c2ccc(cc2Cl)N	JHA	3-chloro-4-(4-methylpiperidin-1-yl)aniline
+CC1=C(Nc2cc(ccc2C1=O)Cl)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F	JHB	7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{h}-quinolin-4-one
+CC[C@H](C)[C@H]1CN(CCCN1C(=O)c2cc(ccc2n3nccn3)C)c4nc5cc(ccc5o4)Cl	JHC	[(2s)-2-[(2s)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2h-1,2,3-triazol-2-yl)phenyl]methanone
+COc1ccc(cc1OC)CN	JHD	1-(3,4-dimethoxyphenyl)methanamine
+CC1=C(N(c2ccccc2C1=O)O)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F	JHE	3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one
+c1ccc(cc1)CCCN([C@H]2CNC[C@@H]2NCc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N	JHG	4-{(3-phenylpropyl)[(3s,4s)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide
+C[C@@H]1[C@@H]2CC[C@]3([C@@H]4C[C@@H]5[C@H]([C@@H]4[C@H]([C@@H]1O3)C(=O)O2)[C@@H]6[C@@H](C=C5C)[C@H]([C@@H]([C@H]6O)C)O)C	JHH	cyclostreptin
+COc1ccc(cc1)NC(=O)Nc2ccncc2	JHJ	n-(4-methoxyphenyl)-n'-pyridin-4-ylurea
+CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cncc4	JHK	~{n},~{n}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O	JHM	2-deoxy-6-o-sulfo-alpha-d-glucopyranose
+c1c2c(cnc1CNC3CCN(CC3)C[C@@H]4CN5C(=O)C=CC6=C5N4C(=O)C=N6)OCCC2	JHN	(3~{r})-3-[[4-(3,4-dihydro-2~{h}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione
+Cn1cc(c(n1)C(=O)NC2CCCC2)Cl	JHP	4-chloro-n-cyclopentyl-1-methyl-1h-pyrazole-3-carboxamide
+CC(=O)NCC1(CCOCC1)c2ccccc2	JHS	n-[(4-phenyloxan-4-yl)methyl]acetamide
+CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N	JHT	7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine
+c1cc(c(cc1Cl)N)Nc2ccncc2	JHV	4-chloro-n~1~-(pyridin-4-yl)benzene-1,2-diamine
+c1cc(cnc1)c2nc3ccc4c(c3s2)C(=O)N(C=N4)C5CC5	JHW	8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one
+c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O	JHY	3-(5,6-dichloro-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid
+C[C@@H]1C(=O)[C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N	JHZ	(2r,4s,6r)-4-amino-4,6-dimethyl-5-oxotetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCCO	JI1	3-({(3s,4s)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol
+c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCN	JI2	n-{(3s,4s)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCc3ccc(cc3)Cl	JI3	n-{(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-(4-chlorobenzyl)ethane-1,2-diamine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F	JI4	n-{(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F	JI5	n-{(3r,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCc3cccc(c3)Cl	JI7	n-{(3r,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-(3-chlorobenzyl)ethane-1,2-diamine
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)O	JIA	(2~{r},3~{r},4~{r},5~{r})-2-[(1~{s},2~{s},3~{r},4~{s},6~{r})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-(aminomethyl)-3-azany l-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
+c1c(cc(c(c1F)F)F)O	JIF	3,4,5-tris(fluoranyl)phenol
+c1cc2c(cc1[N+](=O)[O-])CN[C@@H](C2)CNCCSC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	JIL	9-{5-s-[2-({[(3s)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-l-lyxofuranosyl}-9h-purin-6-amine
+CC(=O)OC[C@@H](CO)O	JIM	(2r)-2,3-dihydroxypropyl acetate
+Cc1cc(ccc1F)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C	JIN	6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCO	JJ1	n-[(1s)-1-{[(1s)-5-amino-1-[(2-cyclohexylethyl)carbamoyl]pentyl]carbamoyl}-2-hydroxyethyl]-10-hydroxydecanamide
+CN(C)CCN1C=Cc2c(ccn2Cc3ccc(c(c3)Cl)Cl)C1=O	JJ2	1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one
+COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O	JJ3	(3as,4r,9br)-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
+Cc1cnc(s1)NC(=O)CCC2CCCC2	JJ4	3-cyclopentyl-n-(5-methyl-1,3-thiazol-2-yl)propanamide
+c1cc(c(cc1Cn2ccc3c2CC=NC3=O)Cl)Cl	JJ5	1-[(3,4-dichlorophenyl)methyl]-7~{h}-pyrrolo[3,2-c]pyridin-4-one
+CC(=O)N1CCC(CC1)NCCOC	JJ7	1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one
+c1cc(c(cc1Cn2ccnc2)Cl)Cl	JJ8	1-[(3,4-dichlorophenyl)methyl]imidazole
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)c4ccccc4	JJA	n-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)Cc4ccccc4	JJB	n-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide
+CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)O)c3ccc(cc3)C#N)C(=O)C	JJD	2-[(4r)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4h-pyrimidin-3-yl]ethanoic acid
+CCN1C(=NN(C1=O)c2cc(c(cc2F)C(=O)Nc3c(cccc3Cl)F)O[C@@H](C)C(F)(F)F)CO	JJE	~{n}-(2-chloranyl-6-fluoranyl-phenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxidanylidene-1,2,4-triazol-1-yl]-5-fluoranyl-2-[(2~{s})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-benzamide
+c1ccc(cc1)SCCN2CCOCC2	JJG	4-[2-(phenylsulfanyl)ethyl]morpholine
+c1cc(c(cc1N2C[C@@H](OC2=O)CO)F)OCC3(CCN(CC3)c4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)O	JJH	cadazolid
+c1cc(cnc1)C(=O)SC[C@@H](C(=O)O)N	JJJ	s-(pyridin-3-ylcarbonyl)-l-cysteine
+c1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N	JJK	s-[(s)-hydroxy(pyridin-3-yl)methyl]-l-cysteine
+COc1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N	JJL	s-[(s)-hydroxy(5-methoxypyridin-3-yl)methyl]-l-cysteine
+Cc1cccc(c1)Nc2c3cnn(c3ncn2)C	JJM	1-methyl-n-(3-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC1(CCN(CC1)C)[C@@]23[C@@H](c4ccccc4C(=O)N2)c5ccccc5N3	JJN	(6~{a}~{r},11~{b}~{s})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{h}-indolo[2,3-c]isoquinolin-5-one
+Cn1c2ccccc2c3c1[C@H]4C[C@@H](C3)NC[C@H]4O	JJP	(2s,5s,6r)-7-methyl-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol
+C[C@@]12CC(N[C@@]1(Nc3c2cccc3)C)(C)C	JJQ	(3~{a}~{r},8~{b}~{s})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{h}-pyrrolo[2,3-b]indole
+CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(nc3)C#N)C(=O)C	JJS	5-[(6r)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile
+C1CC(=N)CN([C@@H]1C(=O)NC2CCNCC2)C(=O)O	JJT	(2~{s})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid
+CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3S(=O)(=O)C)C#N)C#N	JJV	(6s)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile
+CCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O	JJW	(2~{s},3~{s},4~{r})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol
+CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)N3CCN(CC3)C(C)C)c4ccc(cc4)C#N)C#N	JJX	(4r)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4h-pyrimidine-5-carbonitrile
+c1c2c(nc3c1C(=O)CCC3)CCCC2=O	JJY	3,4,6,7-tetrahydroacridine-1,8(2h,5h)-dione
+c1ccc2c(c1)cc3ccccc3c2C=NNC(=O)CCC(=O)Nc4cccc(c4)Cl	JJZ	4-[2-(anthracen-9-ylmethylidene)hydrazino]-n-(3-chlorophenyl)-4-oxobutanamide
+COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4	JK1	3-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-1-yl}-n-(3,4,5-trimethoxyphenyl)benzamide
+COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5F	JK2	3-{5-[(2-fluorophenyl)amino]-1h-indazol-1-yl}-n-(3,4,5-trimethoxyphenyl)benzamide
+C#CCN1CCN(CC1)c2c(cccc2Cl)NC(=O)c3ccc(o3)Br	JK3	5-bromo-n-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3F)F)(F)F	JK4	6-{[(3r,4r)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cc(cc(c3)Cl)F)(F)F	JK5	6-{[(3r,4r)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+c1ccc2c(c1)[C@H]3[C@H]([C@@H]([C@@H]2O3)O)NC(=O)C4CCC4	JK7	n-[(1s,2s,3s,4r)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide
+c1ccc(cc1)[C@H](CN)Oc2c3cc(ccc3on2)c4ccccc4Cl	JK8	(2~{r})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine
+CS(=O)(=O)N1C[C@@H]([C@H]2C[C@@H]1CC[C@H]2O)O	JKA	(1s,4r,5s,6r)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol
+c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])F	JKB	(2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
+c1ccc(c(c1)C(=O)O)S	JKE	2-sulfanylbenzoic acid
+Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5c(cccc5F)F)OC	JKF	6-[(r)-(4-chlorophenyl)(methoxy)(1-methyl-1h-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1h)-one
+c1cc(sc1)CNCc2ccc(cc2)O	JKG	4-({[(thiophen-2-yl)methyl]amino}methyl)phenol
+C1[C@@H](CN[C@@H]1C(=O)O)[NH3+]	JKH	4-amino-proline
+COC[C@@H]1C2(CCC(N1S(=O)(=O)C)CC2)O	JKJ	(1r,3r,4s)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol
+c1cc(cc(c1)Cl)CNCCS(=O)(=O)O	JKK	2-[(3-chlorobenzyl)amino]ethanesulfonic acid
+C1=CN(C(=O)NC1=O)[C@@H]2[C@@H]3[C@@H]([C@H](O2)CO)O[P@@](=O)(O3)O	JKM	1-[(2s,3as,4s,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4( 1h,3h)-dione
+CC(C)(c1ccc(cc1)C2=Nc3c(cc(cc3F)F)C(=O)N2)O	JKN	6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{h}-quinazolin-4-one
+c1c(cc(nc1Cl)Cl)C(=O)O	JKP	2,6-dichloropyridine-4-carboxylic acid
+CCc1c(c2c(ncnc2s1)N[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4	JKQ	(2~{r})-2-[[6-ethyl-5-(1~{h}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
+c1cc(ncc1N2CCCC2)C#N	JKS	5-(pyrrolidin-1-yl)pyridine-2-carbonitrile
+CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]2C[C@H](N(C2)C(=O)CCCc3ccccc3)C(=O)N4CCC[C@H]4[C@H](N)O	JKT	tert-butyl n-[[1-[(3s,5s)-5-[(2s)-2-[azanyl(oxidanyl)methyl]pyrrolidin-1-yl]carbonyl-1-(4-phenylbutanoyl)pyrrolidin-3-yl]-1,2,3-triazol-4-yl]methyl]carbamate
+c1cc(ccc1c2cc([nH]n2)N)Cl	JKV	3-(4-chlorophenyl)-1h-pyrazol-5-amine
+CN1CCC(CC1)CNC2=NC(=O)C(=S2)Cc3csc(n3)c4ccc(cc4)OC(F)(F)F	JKW	2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one
+CS(=O)(=O)NCc1ccc(cc1)Cl	JKY	n-[(4-chlorophenyl)methyl]methanesulfonamide
+C1CC2=C(C1)NC(=O)C=C2C(F)(F)F	JKZ	4-(trifluoromethyl)-1,5,6,7-tetrahydro-2h-cyclopenta[b]pyridin-2-one
+Cc1ccc(cc1)Sc2c(cccn2)C(=O)O	JL1	2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid
+COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4cccc(c4)CCC#N	JL2	3-[3-[2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile
+Cc1nc(cs1)c2ccc(s2)C(=O)O	JL4	5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
+CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4cc(c(c(c4C)Cl)O)N5CCN(CC5)C	JL5	(2~{r})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
+c1cc(ccc1c2nc(cs2)C(=O)O)C(F)(F)F	JL7	2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
+CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)O	JL8	(2~{r})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
+c1cnccc1CN2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3	JL9	2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one
+c1cc(ccc1C(=O)O)N2CCCCC2	JLA	4-(piperidin-1-yl)benzoic acid
+CCc1c(c2c(ncnc2s1)O[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4	JLB	(2~{r})-2-[6-ethyl-5-(1~{h}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid
+CN1CC[C@H]([C@@H](C1)CO)c2ccc(cc2)F	JLD	[(3s,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
+CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc5c4cc[nH]5	JLE	(2~{r})-2-[[6-ethyl-5-(1~{h}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
+c1cc(sc1)c2nc(cs2)C(=O)O	JLG	2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid
+CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)OCCN5CCN(CC5)C	JLH	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
+CC(=CCOc1cc(ccc1C#N)Nc2nccc(n2)OC)C	JLJ	4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile
+CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4ccccc4C	JLK	(2~{r})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
+Cc1c2ccccc2oc1C(=O)O	JLM	3-methyl-1-benzofuran-2-carboxylic acid
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)O	JLN	5-(formylamino)-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid
+C/C(=C\C=O)/C=C/c1cc2c3c(c1)CCCN3CCC2	JLO	(2e,4e)-3-methyl-5-(2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal
+Cc1c(c(c(cn1)CO)/C=N/CCCC[C@@H](C(=O)O)N)O	JLP	(2s)-2-azanyl-6-[e-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O)O	JLS	(15z)-n-[(2s,3s,4r)-1-(alpha-d-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide
+C(CP(=O)(O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CP(=O)(O)O)O)O)O	JLT	3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-d-glycero-d-gulo-octitol
+CNC(=S)NC1CCCCC1	JLV	n-cyclohexyl-n'-methylthiourea
+Cc1ccc(c(c1C(=O)N(C)C)O)NC2=NS(=O)(=O)N=C2N[C@@H](c3ccc(o3)C)C(C)(C)C	JLW	3-[[4-[[(1~{r})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{n},~{n},6-trimethyl-2-oxidanyl-benzamide
+COc1ccc(cc1)C2=NCCc3c2ccs3	JLY	4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine
+[H]/N=C(/c1ccc(c(c1)F)C)\N	JLZ	3-fluoro-4-methylbenzenecarboximidamide
+c1ccc2c(c1)c3c4n2[Ru]5678(C9C5C6C7C89)([N]1=C4C(=CC(=C1)F)C1=C3C(=O)NC1=O)C#[O+]	JM1	fluorinated pyridocarbazole cyclopentadienyl ru(co) complex
+[H]/N=C(\CSC)/NCCC[C@@H](C(=O)O)N	JM2	n~5~-[2-(methylsulfanyl)ethanimidoyl]-l-ornithine
+[H]/N=C(/CCSC(C)C)\NCCC[C@@H](C(=O)O)N	JM4	n~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-l-ornithine
+[H]/N=C(/CSCCC)\NCCC[C@@H](C(=O)O)N	JM5	n~5~-[2-(propylsulfanyl)ethanimidoyl]-l-ornithine
+[H]/N=C(/CCCSC)\NCCC[C@@H](C(=O)O)N	JM6	n~5~-[4-(methylsulfanyl)butanimidoyl]-l-ornithine
+[H]/N=C(\CSCC)/NCCC[C@@H](C(=O)O)N	JM7	n~5~-[2-(ethylsulfanyl)ethanimidoyl]-l-ornithine
+[H]/N=C(\CCSCC)/NCCC[C@@H](C(=O)O)N	JM8	n~5~-[(3-(ethylsulfanyl)propanimidoyl]-l-ornithine
+c1c2c(cc(c1Cl)Cl)n(cn2)CCCCO	JMA	4-(5,6-dichloro-1h-benzimidazol-1-yl)butan-1-ol
+CCC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2	JMB	(3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium
+CN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC)N	JMC	[(2~{r},3~{r},4~{r},5~{r})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{h}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+c1cc(ccc1CCO)C#N	JMD	4-(2-hydroxyethyl)benzonitrile
+c1ccc(cc1)c2ccc(s2)C(=O)O	JMG	5-phenylthiophene-2-carboxylic acid
+[H]/N=C\1/C=CN(C(=O)N1C)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	JMH	3-methylcytidine- 5'-monophosphate
+CSc1nnc(s1)NC(=O)c2ccco2	JMJ	n-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
+c1ccc2c(c1)c(c[nH]2)CN3CCN(CC3)c4nc5ccccc5s4	JMK	2-[4-(1~{h}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3	JMM	[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
+Cc1ccc(cc1C)O[C@H]2CCN(C[C@@H]2O)CC#C	JMN	(3~{s},4~{s})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol
+CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(=O)O	JMP	2-{[3-(1-methylethoxy)phenyl]carbamoyl}benzoic acid
+c1c(c2c([nH]1)C(=O)NC=N2)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O	JMQ	7-(((2r,3r,4s)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3h-pyrrolo[3,2-d]pyrimidin-4(5h)-one
+Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl	JMS	2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid
+c1ccc2c(c1)nc(s2)N3CCN(CC3)Cc4c[nH]c5c4cc(cc5)O	JMT	3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{h}-indol-5-ol
+c1cc(cc(c1)Cl)OCC(=O)O	JMV	(3-chlorophenoxy)acetic acid
+c1cc2c(cc1O)c(c[nH]2)CN3CCN(CC3)c4nc5cc(ccc5s4)Cl	JMW	3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{h}-indol-5-ol
+CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cccc(c3O2)F)CO	JMY	1-[(3s,3as,8bs)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1h-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one
+c1cc2c(cc1c3ccnc(n3)N)[nH]nc2N	JMZ	6-(2-aminopyrimidin-4-yl)-1h-indazol-3-amine
+c1ccc2c(c1)[C@@H]3C[N@](S2(=O)=O)CC(=O)N3	JN1	(6r)-5,6-dihydro-1h-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3h)-trione
+c1cc(cc(c1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3ccc(cc3)F	JN2	3-(4-fluorophenyl)-~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	JN3	chenodeoxycholic acid
+C=CNC(=O)N1CCc2c(sc(c2C(=O)OC=C)NC(=O)Cc3ccccc3)C1	JN4	ethenyl 6-(ethenylcarbamoyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
+c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4	JN5	(2s)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile
+C=COC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1	JN7	3-cyclopentyl 6-ethenyl 2-[(thiophen-2-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate
+CCNC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1	JN8	cyclopentyl 6-(ethylcarbamoyl)-2-[(thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
+c1ccc(cc1)S(=O)(=O)NCc2cccs2	JNA	n-[(thiophen-2-yl)methyl]benzenesulfonamide
+c1ccc(cc1)c2ccc(cc2)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	JNB	~{n}-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-phenyl-benzamide
+CCc1cc2c(s1)N=CNC2=O	JND	6-ethylthieno[2,3-d]pyrimidin-4(3h)-one
+Cc1cccc(n1)NCc2ccccc2	JNE	6-methyl-~{n}-(phenylmethyl)pyridin-2-amine
+C[N@@](c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4	JNF	n-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-n-methylpyrimidin-2-amine
+c1cc(ccc1SCC(=O)O)Cl	JNG	[(4-chlorophenyl)sulfanyl]acetic acid
+c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)N3CCC[C@H]3CN)N	JNH	1-[2-(s)-amino-3-biphenyl-4-yl-propionyl]-pyrrolidine-2-(s)-carbonitrile
+c1ccc(cc1)CN(c2ccccc2c3cccc(c3)c4cnc(nc4)N5CCNCC5)c6ccnc(n6)N	JNI	~{n}4-(phenylmethyl)-~{n}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine
+CN(C)Cc1nccn1c2ccc(c(c2)F)c3ccc4c(c3F)n(nc4C(=O)N)c5ccc6c(c5)c(no6)N	JNJ	1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1h-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1h-indazole-3-carboxamide
+COC1CCC(CC1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccc(cc4)F	JNK	n-{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl}-4-methoxycyclohexanecarboxamide
+CCCc1ccc(c(c1O)C(=O)C)O	JNM	1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one
+c1cc(c(cc1C(=O)NCCc2cc(no2)C(=O)NO)Cl)Cl	JNN	5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{n}-oxidanyl-1,2-oxazole-3-carboxamide
+CNC(=O)CN1CCC(CC1)Nc2nccc(n2)c3cnc4n3cccc4	JNO	2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-n-methylacetamide
+CC1(CC(=O)c2ccc(cc2O1)O)C	JNP	7-hydroxy-2,2-dimethyl-2,3-dihydro-4h-1-benzopyran-4-one
+c1ccc(cc1)/C=C\c2ccc3c(c2C(=O)O)OCO3	JNS	5-[(z)-2-phenylethenyl]-1,3-benzodioxole-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)N	JNT	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
+CC(=O)Cc1ccc(c(c1)Cl)Cl	JNV	1-(3,4-dichlorophenyl)propan-2-one
+c1ccc(c(c1)C(=O)N[C@H]2CCC(=O)NC2=O)C(=O)O	JNW	2-[[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid
+CC1=CC(=C(C(=O)N1)C#N)C(F)(F)F	JNY	6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
+c1ccc2c(c1)c(n[nH]2)N	JNZ	1h-indazol-3-amine
+Cn1c(ccn1)C(=O)NCc2cccs2	JO1	1-methyl-n-[(thiophen-2-yl)methyl]-1h-pyrazole-5-carboxamide
+c1cc(c(cc1[N+](=O)[O-])C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O	JO2	2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid
+CC(CC(=O)O)C(=O)O	JO3	(2r)-2-methylbutanedioic acid
+c1ccc(cc1)Oc2ccc(cc2)C(=O)O	JO4	4-phenoxybenzoic acid
+c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O	JO5	4-azanyl-2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
+CO[C@H]1CN([C@@H]2CC[C@H]([C@H]1C2)O)S(=O)(=O)C	JO7	(1r,4r,5r,6r)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol
+c1cc(c(c(c1)N)C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O	JO8	3-azanyl-2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid
+CO[C@@H]1CC[C@@H]2C[C@H]1[C@H](CN2S(=O)(=O)C)OC	JOA	(1r,4r,5r,6r)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane
+c1cc2c(cc1N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O	JOB	5-azanyl-2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
+C1CC2(CCC1N3[C@H]2COC3=O)O	JOD	(5s,8r,8as)-8-hydroxyhexahydro-3h-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one
+c1cc(c(c(c1)[N+](=O)[O-])C(=O)O)C(=O)N[C@H]2CC(=O)NC2=O	JOE	2-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid
+c1ccc(cc1)NC(=O)N2C[C@@H]([C@@H]3C[C@H]2CC[C@@H]3O)O	JOG	(1r,4r,5r,6s)-4,6-dihydroxy-n-phenyl-2-azabicyclo[3.3.1]nonane-2-carboxamide
+c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)[C@H]3CC(=O)NC3=O	JOH	2-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione
+c1nc(c(n1CC(=S)N)Cl)Cl	JOJ	2-(4,5-dichloro-1h-imidazol-1-yl)ethanethioamide
+c1ccc(cc1)CCC(=O)N[C@H]2CC(=O)NC2=O	JOK	~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide
+c1cc(ccc1C(F)(F)F)NC2=NNC(=S)S2	JOM	5-{[4-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2(3h)-thione
+C1C[C@H](NC1)COC(=O)N[C@H]2CC(=O)NC2=O	JON	[(2~{s})-pyrrolidin-2-yl]methyl ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
+C[C@H](CNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)O	JOP	n-[(1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl]-n'-[(2r)-2-hydroxypropyl]thiourea
+c1cc(ccc1CN)COC(=O)N[C@H]2CC(=O)NC2=O	JOQ	[4-(aminomethyl)phenyl]methyl ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
+CS(=O)(=O)Nc1ccc(cc1C(=O)O)F	JOR	5-fluoranyl-2-(methylsulfonylamino)benzoic acid
+C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](/C=C\C=C\C[C@@H]1O)C)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O	JOS	(2s,3s,4r,6s)-6-{[(2r,3s,4r,5r,6s)-6-{[(4r,5s,6s,7r,9r,10s,12e,14z,16r)-4-(acetyloxy)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)oxacyclohexadeca-12,14-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyltetrahydro-2h-pyran-3-yl]oxy}-4-hydroxy-2,4-dimethyltetrahydro-2h-pyran-3-yl 3-methylbutanoate
+c1ccc(cc1)CC(=O)N[C@H]2CC(=O)NC2=O	JOT	~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide
+CC(C)(CO)NC(=O)c1cccc(c1)Cl	JOV	3-chloro-n-(1-hydroxy-2-methylpropan-2-yl)benzamide
+c1cc(ccc1CNC(=O)CCC(=O)O)COC(=O)N[C@H]2CC(=O)NC2=O	JOW	4-[[4-[[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid
+c1cnn(c1)Cc2ccc(cc2)C#N	JOY	4-[(1h-pyrazol-1-yl)methyl]benzonitrile
+c1ccc2c(c1)CCNC2=O	JOZ	3,4-dihydroisoquinolin-1(2h)-one
+c1cc(c(cc1NC(=O)N2CCOCC2)Cl)Oc3ccc(cc3O)Cl	JP1	n-[3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl]morpholine-4-carboxamide
+c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)O	JP2	2-amino-4-oxo-1,4-dihydropteridine-7-carboxylic acid
+c1cc(oc1)CNC(=O)c2cnc3c(n2)N=C(NC3=O)N	JP3	2-amino-n-(furan-2-ylmethyl)-4-oxo-3,4-dihydropteridine-7-carboxamide
+c1ccc(c(c1)CO)N2CCOCC2	JP4	[2-(morpholin-4-yl)phenyl]methanol
+c1ccc(cc1)COC(=O)N[C@H]2CC(=O)NC2=O	JP5	(phenylmethyl) ~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
+COc1ccc2c(c1)OC[C@H]3[C@H]2N4CCC(=O)N4C3	JP7	(6ar,12ar)-3-methoxy-6a,10,11,12a-tetrahydro-6h,7h,9h-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one
+C1C[C@@H](NC1)COC(=O)N[C@H]2CCC(=O)NC2=O	JP8	[(2~{r})-pyrrolidin-2-yl]methyl ~{n}-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
+Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	JPA	4-(2,4-dichlorophenoxy)-2'-methylbiphenyl-3-ol
+c1c(cc(c(c1Cl)C(=O)N[C@H]2CC(=O)NC2=O)Cl)Cl	JPB	~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide
+CC(C)N(c1cc(sc1C(=O)O)c2ccccc2)C(=O)c3ccc(cc3Cl)Cl	JPC	3-[(2,4-dichlorobenzoyl)(isopropyl)amino]-5-phenylthiophene-2-carboxylic acid
+CC[C@@H]([C@H]1C2(CCC(N1C(=O)OC)CC2)O)O	JPD	methyl (1s,3s,4r)-4-hydroxy-3-[(1s)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
+c1cc(cnc1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N	JPE	[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-pyridin-3-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
+CC(=O)c1ccccc1Oc2ccccc2	JPG	1-(2-phenoxyphenyl)ethan-1-one
+CC1=CC(=O)N=C(N1)CCn2cc(nn2)c3ccc4c(c3)OCCO4	JPH	2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{h}-pyrimidin-4-one
+c1ccc(cc1)CCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	JPJ	2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
+Cc1cccc(c1)CC(=O)NCc2cc(n3c(n2)cc(n3)C4CCOCC4)O	JPK	2-(3-methylphenyl)-~{n}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide
+c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl	JPL	5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol
+c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	JPM	5-benzyl-2-(2,4-dichlorophenoxy)phenol
+c1ccc(cc1)CCCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl	JPN	2-(2,4-dichlorophenoxy)-5-(3-phenylpropyl)phenol
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	JPP	piperacillin (open form)
+CC(=CC(=O)N[C@H]1CC(=O)NC1=O)C	JPQ	~{n}-[(3~{s})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
+Cc1ccc(cc1Cl)NC(=O)NCCSCc2ccc(o2)CN(C)C	JPR	1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea
+c1c(sc2c1[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)CCC3CC3	JPS	(4r,6r,7s)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
+c1cscc1CC2=C(C(=O)C=C(O2)CO)O	JPT	6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one
+c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H](C3)NC[C@@H]4O	JPV	(2r,5r,6s)-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol
+C1CC(=O)NC(=O)[C@H]1NC(=O)OCC2CCC(CC2)N	JPW	(4-azanylcyclohexyl)methyl ~{n}-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
+CC(=O)NCc1ccc2ccc3cccc4c3c2c1cc4	JPY	n-(pyren-1-ylmethyl)acetamide
+c1ccc2c(c1)C(=O)N=CN2	JPZ	quinazolin-4(1h)-one
+Cc1c(sc-2c1C(=N[C@H](c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C	JQ1	(6s)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
+CCC1=C(C2=CC3=N/C(=C\c4c(c(c([nH]4)/C=C\5/C(=C(C(=O)N5)C)CC)C)CCC(=O)O)/C(=C3CCN2C1=O)CCC(=O)O)C	JQ2	3-[2-[(~{z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CC[C@@H]([C@H]1C2(CCC(N1S(=O)(=O)C)CC2)O)O	JQ4	(1s,3s,4r)-3-[(1s)-1-hydroxypropyl]-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol
+CCOP(=O)(C(=O)CCC(=O)O)O	JQ5	4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid
+c1ccc2c(c1)[C@H](CN(S2(=O)=O)CC(=O)N)O	JQ7	2-[(4r)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1h)-yl]acetamide
+c1ccc(cc1)C#CC(=O)O	JQ8	phenylpropiolic acid
+c1ccc(cc1)CN2[C@@H]3CC[C@@H]4C[C@H]3[C@H](CN4)OC2=O	JQA	(4r,4ar,6r,8ar)-1-benzyloctahydro-2h-6,4-(epiminomethano)-3,1-benzoxazin-2-one
+c1cc(c(nc1)O)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N	JQB	5-azanyl-3-[1-[(2-oxidanylpyridin-3-yl)methyl]indol-6-yl]-1~{h}-pyrazole-4-carbonitrile
+COc1ccc2c(c1)OC[C@@H]3[C@H]2N4CCC(=O)N4C3	JQD	(6as,12ar)-3-methoxy-6a,10,11,12a-tetrahydro-6h,7h,9h-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one
+c1cc2c(cc1Cl)c(c(s2)Cl)CC(=O)O	JQE	2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid
+CC(C)CC(=O)Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	JQF	3-methyl-n-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)butanamide
+CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(=O)O)O)NC=O	JQG	(2~{r})-~{n}-[3-[2-[[(2~{s})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide
+Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5(C(=C4)c6ccccc6)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C	JQH	prfmn cofactor and phenylpropiolic acid adduct
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)CCc5ccccc5)(C)C	JQK	[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-[(16~{r})-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-16-(2-phenylethyl)-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]pentyl] dihydrogen phosphate
+Cc1ccc(cc1)SCC(=O)c2ccc3c(c2)CC(=O)N3	JQN	5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one
+Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F)C	JQP	n-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidin-2-amine
+Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)[C@H](Cc5ccccc5)F)(C)C	JQQ	[(2~{r},3~{s},4~{s})-5-[(16~{s})-16-[(1~{s})-1-fluoranyl-2-phenyl-ethyl]-11,12,14,14-tetramethyl-5-oxidanyl-3-oxidanylidene-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9(17),10,12-pentaen-8-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C\N)C(=O)O	JQS	5-[(z)-(aminomethylidene)amino]-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazole-4-carboxylic acid
+Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4Cl)CN5C[C@@H](C[C@H]5C(=O)O)O)OCc6cccc(c6)C#N	JQT	(2~{s},4~{r})-1-[[5-chloranyl-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid
+C[C@@H]1[C@H](C/C=C/c2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C@H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1CC([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC(=O)C)OC(=O)[C@@H](COC)OC)OC)O)S)C)OC)OC	JQV	mycalolide b
+c1cc(c(c2c1c(c[nH]2)c3ccnc(n3)N)Cl)Cl	JQW	4-[6,7-bis(chloranyl)-1~{h}-indol-3-yl]pyrimidin-2-amine
+Cc1ccc(cc1C)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F	JQY	n-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1h-imidazol-5-yl]pyrimidin-2-amine
+CC1=CC2=[N](C3=C4(C(=C([C@H]5[N]4=C2C(=C1C)C(C5)(C)C)C(=O)O)c6ccccc6)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	JQZ	prfmn cofactor and phenylpropiolic acid
+c1c[nH]c2c1c(nc(n2)N)N3CCCC3	JR2	4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=CC=C(C=C7C(=O)N6CC(=O)Nc8ccc(cc8)S(=O)(=O)N)O)Cl)C	JR3	2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{n}-(4-sulfamoylphenyl)ethanamide
+Cc1cc2c(cc1S(=O)(=O)NCc3ccc(cc3)F)N(C(=O)N2C)C	JR4	~{n}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide
+Cn1c(c2c(n1)CCC2)NC(=O)[C@@H]3CCCN3S(=O)(=O)c4ccc(cc4)F	JR5	(2~{s})-1-(4-fluorophenyl)sulfonyl-~{n}-(2-methyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide
+Cn1c(c2c(n1)CCC2)NC(=O)CSc3ccc(cc3)OC	JR6	2-(4-methoxyphenyl)sulfanyl-~{n}-(2-methyl-5,6-dihydro-4~{h}-cyclopenta[c]pyrazol-3-yl)ethanamide
+CCC(=O)Nc1nc(cs1)c2ccc(cc2)Cl	JR7	n-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
+CC12C3([Ir]1456(C2(C4(C53C)C)C)[N]7=CC=C(C=C7C(=O)[N]6(CCCc8ccc(cc8)S(=O)(=O)N)Cl)O)C	JR8	4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide
+c1ccc(cc1)CNc2c(nc3n2ccnc3N)Cc4cc5c(cc4Br)OCO5	JR9	n~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine
+Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C=C\3/C(=C(C(=N3)/C=C\4/[C@H]([C@H](C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O	JRA	3-[2-[(~{z})-[5-[(~{z})-[(3~{s},4~{r})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+c1ccc(c(c1)N)N2CCNCC2	JRB	2-piperazin-1-yl-aniline
+CCC(=O)N(Cc1cc(no1)C)c2nc(cs2)c3ccccc3	JRD	n-[(3-methyl-1,2-oxazol-5-yl)methyl]-n-(4-phenyl-1,3-thiazol-2-yl)propanamide
+C[C@@H](c1c(cncc1Cl)c2cc3c(nc2)N(CCC3)C(=O)N)O	JRE	6-[5-chloranyl-4-[(1~{s})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{h}-1,8-naphthyridine-1-carboxamide
+CSCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O	JRG	n~2~-{[(1s)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-n~6~-(4-iodobenzoyl)-l-lysine
+Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5([C@@H](C4)C)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C	JRH	prfmn cofactor and crotonic acid adduct
+c1c(nnn1CCCCN)CCn2nc3c(n2)c(c(c(c3Br)Br)Br)Br	JRJ	4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine
+Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5(C(=C4C(=O)O)C)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C	JRK	prfmn cofactor and butynoic acid adduct
+CCC(=O)N(CC(=O)OC)c1nc(cs1)c2ccccc2	JRM	methyl n-(4-phenyl-1,3-thiazol-2-yl)-n-propanoylglycinate
+Cc1cc2c3c(c1C)C(C[C@H]([n+]3c4c([n+]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)CCc5c(c(c(c(c5F)F)F)F)F)(C)C	JRN	prfmn cofactor and pentafluorocinnamic acid adduct
+CC1=Cc2cc3c(cc2C(=O)O1)c(cc(c3O)O)O	JRO	6,7,9-trihydroxy-3-methyl-1h-benzo[g]isochromen-1-one
+CCOC(=O)C[C@@H]1C(=O)NCCN1Cc2ccc(cc2)C	JRQ	ethyl 2-[(2~{r})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F	JRR	6-{[(3r,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F	JRS	6-{[(3s,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+c1ccc(cc1)CCNC(=O)Cn2cnc3c2cccc3	JRT	2-(benzimidazol-1-yl)-~{n}-(2-phenylethyl)ethanamide
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	JRV	methyl 6-s-beta-d-glucopyranosyl-6-thio-beta-d-glucopyranoside
+Cc1ccc2c(c1)CN[C@@]3(C[C@]2(N(C3=O)C4CCC4)O)C(C)C	JRW	(1~{s},10~{s})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
+CCCCCCNC(=O)O	JRY	hexylcarbamic acid
+Cc1ccc(c2c1CCC2)OC[C@H]([C@H](C)NC(C)C)O	JRZ	(2s,3s)-1-[(7-methyl-2,3-dihydro-1h-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol
+CCOC(=O)c1c2c(ccc(c2CN(C)C)O)oc1c3ccccc3	JS1	ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
+C1=Nc2c(nc(n2CCCCOP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](O3)O)O)O)N)C(=O)N1	JS2	5-o-[(r)-{[(s)-[4-(8-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-  ribofuranose
+Cc1c(sc(n1)Cl)C(=O)Nc2ccc3ccccc3c2	JS3	2-chloro-4-methyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H](C([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)OCCNCCCN)O)N	JS4	(2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3r,4r,5s)-4-(2-(3-aminopropylamino)ethoxy)-5-((1r,2r,3s,5r,6s)-3,5-diam ino-2-((2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-2-( hydroxymethyl)-tetrahydrofuran-3-yloxy)-tetrahydro-2h-pyran-3,4-diol
+C1CC(CNC1)CNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)N)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N	JS5	(2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3r,4r,5s)-5-((1r,2r,3s,5r,6s)-3,5-diamino-2-((2s,3r,4r,5s,6r)-3-amino-4 ,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-2-(hydroxymethyl)-4-(2-((r)-piperidi n-3-ylmethylamino)ethoxy)-tetrahydrofuran-3-yloxy)-tetrahydro-2h-pyran-3,4-diol
+c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)N)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N	JS6	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-2-o-{2-[(2-phenylethyl)amino]ethyl}-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+COc1c(c(ncn1)NCCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-]	JS7	4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
+CCCCCCCCCCC[C@H](NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	JSA	5'-o-{[(1r)-1-hydroxydodecyl]sulfamoyl}adenosine
+CC(C)[C@]12C[C@](c3ccccc3CN1)(N(C2=O)C4CC4)O	JSB	(1~{s},10~{s})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C	JSC	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
+CC1([C@@H](N[C@H](S1)CNC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C	JSD	[(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
+CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C	JSE	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
+CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)OP(=O)(O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@H](CO)O)O)O)O)O)OP(=O)(O)O)O)O)O)O[C@@]6(C[C@H]([C@H]([C@H](O6)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC	JSG	(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-[(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-5-[(2~{s},3~{s},4~{r},5~{r},6~{r})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-4-[(2~{r},3~{s},4~{r},5~{s},6~{r})-6-[(1~{s})-2-[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-[(1~{s})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-3-oxidanyl-5-[[(3~{r})-3-oxidanyltetradecanoyl]amino]-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+Cc1cc2c3c(c1C)C(C[C@@H]4[N@]3[C@]5([C@@H](C4)c6ccccc6)C(=O)NC(=O)N=C5N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)(C)C	JSH	prfmn cofactor and cinnamic acid adduct
+CC1(C=C(C(N1O)(C)C)CSSP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C	JSJ	5'-o-[(s)-hydroxy{[(s)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine
+[H]/N=N/NCCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O	JSK	(2~{s},3~{s},4~{r})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol
+CC1=NC(=O)N[C@@H](C1C(=O)N(C)C)c2ccc(cc2F)F	JSN	(6~{s})-6-[2,4-bis(fluoranyl)phenyl]-~{n},~{n},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{h}-pyrimidine-5-carboxamide
+CN1C=C(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	JSP	(1r)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N	JSQ	2-fluoro-atp
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2OCCNCCc3cccc(c3)F	JSR	6-{[(3r,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F	JSS	6-{[(3s,4s)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C=CCCN=C1NN=C(CS1)c2ccc(cc2)Cl	JST	but-3-enyl-[5-(4-chloro-phenyl)-3,6-dihydro-[1,3,4]thiadiazin-2-ylidene]-amine
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	JSV	methyl 2-s-beta-d-glucopyranosyl-2-thio-beta-d-glucopyranoside
+Cc1nnc(o1)N2CCC(CC2)C(=O)N3[C@@H](CCN3)c4cc(cc(c4)F)F	JSW	[(5~{s})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)O	JSX	3-(4-hydroxyphenyl)benzoic acid
+CCOC(=O)c1c(c2c(o1)cccc2OC[C@H](CNC(C)C)O)C	JSZ	ethyl 4-({(2s)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)-3-methyl-1-benzofuran-2-carboxylate
+COCCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)CCl	JT0	2-chloro-n-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-n-(3-methoxypropyl)acetamide
+c1cc(ccc1C(F)(F)F)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(c(c3)F)OC(F)(F)F)c4nc5c(s4)cnc(n5)C6CC6	JT1	(2r)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-n-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide
+[H]/N=C(\c1cc2c(cc(cc2s1)CS)N[C@@H](C)CN)/N	JT2	4-[[(2~{s})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N(CCO)CC(=O)NO	JT5	n~2~-(biphenyl-4-ylsulfonyl)-n-hydroxy-n~2~-(2-hydroxyethyl)glycinamide
+c1cc(ccc1C#N)c2ccc(cc2)OCCC(=O)NO	JT6	3-[(4'-cyanobiphenyl-4-yl)oxy]-n-hydroxypropanamide
+B([C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Cl)OC)(O)O	JT7	n-[(1r)-1-borono-3-methylbutyl]-n~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-l-leucinamide
+c1ccc(cc1)C[C@H]2[C@H](CC(=O)N[C@H](C(=O)NCCCCCCCCCCCCCC(=O)N2)Cc3ccccn3)O	JT8	(3~{s},7~{s},8~{s})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione
+c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O	JTA	4-hydroxy-8-nitroquinoline-3-carboxylic acid
+c1cc(c(cc1Cl)c2cn[nH]n2)O	JTB	4-chloranyl-2-(2~{h}-1,2,3-triazol-4-yl)phenol
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC2CC2)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTD	n-[(2s,3s,4r)-1-{[4-o-(cyclopropylmethyl)-alpha-d-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+Cc1cc(cc(c1)c2ccc(cc2F)[C@@H](C)C(=O)O)C	JTE	(2~{r})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid
+CC1=Cc2cccc(c2NC1=O)NCCN(C)C	JTF	8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC=C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTG	n-[(2s,3s,4r)-3,4-dihydroxy-1-{[4-o-(prop-2-en-1-yl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
+CC(C)C1=CC=C(C(=O)C(=C1)O)O	JTH	2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTJ	n-[(2s,3s,4r)-3,4-dihydroxy-1-({4-o-[(4-methylphenyl)methyl]-alpha-d-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide
+C[C@H](c1ccc(c(c1)F)c2cc(cc(c2)Cl)Cl)C(=O)O	JTK	(2~{r})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)Cl)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTM	n-[(2s,3s,4r)-1-({4-o-[(4-chlorophenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl	JTN	1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid
+CC(C)(C(=O)O)NC(=O)c1ccc2c(c1)n3c(c2C4CCCCC4)-c5ccccc5OCC3	JTP	n-[(13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepin-10-yl)carbonyl]-2-methyl-l-alanine
+Cn1cc(c2c1c(c(cc2)Cl)Cl)c3cncnc3N	JTQ	5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine
+Cc1c(scn1)C(=O)Nc2ccc3ccccc3c2	JTS	4-methyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide
+Cc1c(sc(n1)C)C(=O)Nc2ccc3ccccc3c2	JTT	2,4-dimethyl-n-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide
+CC[C@@H](C)c1ccc(cc1)c2c(c(c3cc(ccc3n2)Br)C(=O)O)C	JTU	6-bromo-2-{4-[(2r)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccccc2)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JTV	n-{(2s,3s,4r)-1-[(4-o-benzyl-alpha-d-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide
+c1ccc(cc1)S(=O)(=O)c2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl	JTW	4-chloranyl-~{n}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide
+c1ccc(cc1)S(=O)(=O)Nc2c(ncs2)C(=O)O	JTY	5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid
+CC(C)NC[C@@H](COc1ccccc1CC=C)O	JTZ	(2s)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C(C)(C)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JU1	n-[(2s,3s,4r)-1-({4-o-[(4-tert-butylphenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+C(#N)c1c2c([nH]c1Br)N=C(NC2=O)N	JU2	2-amino-6-bromo-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(c(c2)Cl)Cl)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JU4	n-[(2s,3s,4r)-1-({4-o-[(3,4-dichlorophenyl)methyl]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)c3nc(cs3)CN4CCC[C@@H](C4)CN(CCN(C)C)C(=O)c5ccc6ccccc6c5	JU5	~{n}-[[(3~{s})-1-[[2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]methyl]-~{n}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
+C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	JU7	6-cyclohexylhexyl beta-d-glucopyranoside
+Cn1cc(c2c1cccc2)c3cncnc3N	JU8	5-(1-methylindol-3-yl)pyrimidin-4-amine
+c1ccc(cc1)C[NH+]2CCC[C@@H](C2)CN(CC[NH+]3CCN(CC3)c4ccc(c5c4non5)[N+](=O)O)S(=O)(=O)c6ccc7ccccc7c6	JUB	[7-[4-[2-[naphthalen-2-ylsulfonyl-[[(3~{s})-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]amino]ethyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazol-4-yl]-oxidanyl-oxidanylidene-azanium
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C(F)(F)F)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	JUD	n-{(2s,3s,4r)-3,4-dihydroxy-1-[(4-o-{[4-(trifluoromethyl)phenyl]methyl}-alpha-d-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide
+CC(C)c1ccc(cc1)NC(=O)[C@@H](c2ccc(cc2)OC)NC(=O)C3=CCC(=O)N=C3	JUE	~{n}-[(1~{r})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{h}-pyridine-5-carboxamide
+c1cc2c(c(c1)O)C(=O)C=CC2=O	JUG	5-hydroxynaphthalene-1,4-dione
+CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)Cc3ccccc3	JUH	(2~{r})-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide
+c1cc(ncc1c2cc(c(c3c2c4c([nH]3)CCN(C4)C(=O)CO)Cl)Cl)N	JUJ	1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
+c1cc(oc1)C[n+]2c(c(cc3c2N=C4C=CC=CN4C3=O)C(=O)NC[C@@H]5CCCO5)N	JUK	2-amino-1-[(furan-2-yl)methyl]-5-oxo-3-({[(2s)-oxolan-2-yl]methyl}carbamoyl)-5h-dipyrido[1,2-a:2',3'-d]pyrimidin-1-ium
+c1c(c2c3c([nH]c2c(c1Cl)Cl)CCN(C3)C(=O)CO)c4c[nH]nc4	JUM	1-[6,7-dichloro-9-(1h-pyrazol-4-yl)-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
+CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C	JUN	(2~{r})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide
+c1c(c2c([nH]1)nc(nc2N3CCSCC3)N)C#N	JUO	2-amino-4-thiomorpholino-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)c3cc(cnc3N)c4cc(cs4)CN(C)C	JUP	4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide
+COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5	JUQ	(1~{s},2~{s})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N	JUS	2-(2-cyanophenoxy)-5-hexylphenol
+c1cc(c(cc1c2csc(n2)N)F)F	JUT	4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine
+c1cc(ccc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(cc2)O)O	JUV	(2r)-3-(4-hydroxyphenyl)-2-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
+Cn1cc(c2c1cccc2)c3ccnc(n3)N	JUW	4-(1-methylindol-3-yl)pyrimidin-2-amine
+c1ccc2c(c1)nc(s2)C(=O)N[C@@H](CCNC(=O)CCCCc3ccc4cccnc4n3)C(=O)O	JUY	(2s)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid
+CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)[C@@H]5C[C@H](N4)[C@@H](CO5)O	JUZ	1-[2-[(2~{r})-2-(2-methylsulfanylphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-3-[[(1~{s},9~{s},10~{s})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]urea
+CCc1ccc(cc1)n2c(c(cc2c3ccc(cc3)SC)CN4CCSCC4)C	JV0	4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine
+c1cc(cc(c1)[N+](=O)[O-])C(=O)/C=C/c2ccc3c(c2)OCO3	JV1	(~{e})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one
+CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)[C@H]5C[C@@H](N4)[C@@H](CO5)O	JV2	1-(((2r,3s,6r)-3-hydroxy-2,3,4,6-tetrahydro-1h-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((r)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)F	JV4	6-deoxy-6-fluoro-1-o-phosphono-alpha-d-glucopyranose
+Cc1ccccc1OCC(=O)Nc2ccc3c(c2)nn[nH]3	JV5	~{n}-(1~{h}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide
+Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2	JV8	~{n}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CP(=O)(O)O)F)O)O)O	JVA	2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-d-glycero-d-manno-heptitol
+Cc1ccccc1OCC(=O)Nc2cccnc2	JVB	2-(2-methylphenoxy)-~{n}-pyridin-3-yl-ethanamide
+C[C@H](C(C)C)NC(=O)c1ccc2c(c1)[nH]nn2	JVD	n-[(2r)-3-methylbutan-2-yl]-1h-benzotriazole-6-carboxamide
+c1ccc(c(c1)[C@H]2c3c[nH]nc3NC4=C2C(=O)CNC4)F	JVE	(4s)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5h-pyrazolo[3,4-b][1,7]naphthyridin-5-one
+c1cc2c(cc1CNC(=O)CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@H]4C3=O)[C@H]6C[C@@H](N2)[C@@H](CO6)O	JVH	 2-(exo-3,5-dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-n-((1r,9r,10s)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide
+c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5ccoc5	JVJ	1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine
+CC(C)[C@@H](C(=O)O)NC(=O)CSc1ccc(cc1)Cl	JVK	(2~{s})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid
+c1cc(ccc1CN)c2c(nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5c[nH]nc5	JVM	1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1h-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine
+c1cc2c(cc1F)[C@H]3C[C@@H](N2)[C@@H](CO3)O	JVN	(1~{r},9~{r},10~{s})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol
+c1cc(ccc1c2c(c(n(n2)[C@@H]3CCCN(C3)C#N)N)C(=O)N)Oc4ccc(cc4F)F	JVP	5-amino-1-[(3r)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazole-4-carboxamide
+CCN1Cc2cc3c(cc2NCCC1=O)OCO3	JVQ	14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(CF)OP(=O)(O)O)O)O)O)O	JVS	1-deoxy-1-fluoro-2-o-phosphono-alpha-d-gluco-hept-2-ulopyranose
+CN1CCN(CC1)c2ccc(cc2)NC(=O)c3c4ccccc4[nH]n3	JVT	n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-3-carboxamide
+Cc1c(c(on1)C)c2cc3c(cccn3)c(c2)S(=O)(=O)NC4CCCC4	JVY	n-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
+c1ccc2c(c1)ncn2C[C@@H](COc3ccc4c(c3)CCC4)O	JVZ	(2~{s})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{h}-inden-5-yloxy)propan-2-ol
+B(c1cccc(c1)NC(=O)OC(C)(C)C)(O)O	JW1	{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid
+c1ccnc(c1)CNC(=O)C(=O)NC2CCCC2	JW2	~{n}'-cyclopentyl-~{n}-(pyridin-2-ylmethyl)ethanediamide
+B(c1cccc(c1)C(=O)NCc2ccco2)(O)O	JW3	(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid
+Cc1ccc2c(c1c3cc(cc4c3nc([nH]4)C5CC5)c6c(noc6C)C)cccn2	JW4	4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1h-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO	JW5	6-(hydroxymethyl)uridine 5'-(dihydrogen phosphate)
+c1ccc(cc1)N2C(=O)C=C(C(=N2)c3[nH]cnn3)NC4CCCCC4	JW7	5-(cyclohexylamino)-2-phenyl-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone
+B(c1ccc(cc1)S(=O)(=O)N2CCC2)(O)O	JW8	{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid
+C[C@H](c1cccc2c1cccc2)N(C)Cc3ccc(cc3)O	JW9	4-({methyl[(1r)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol
+Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3CNC(=O)C)C	JWA	n-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide
+C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CC(=O)O	JWB	2-[(1~{r},2~{r},6~{s},7~{s})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid
+Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C	JWD	5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline
+c1cc(nc2c1c(cnc2N)Br)c3ccnc(c3)F	JWE	5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine
+CN1CCN(CC1)c2ccc(cc2)NC3=CC(=O)N(N=C3c4[nH]ncn4)c5ccc(cc5)Cl	JWF	5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone
+CCCCCCCC(=O)Nc1ccccc1C(=O)O	JWH	2-(octanoylamino)benzoic acid
+CC(C)(c1cnc(c2c1ccc(n2)c3ccnc(c3)F)N)O	JWK	2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol
+CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)C	JWM	n-[(2r)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide
+CC(C)(c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4ccncc4)C(=O)N5CCN(CC5)C	JWN	4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{n}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide
+CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)CC2COC2	JWP	n-[(2s)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide
+COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)C(F)(F)F	JWQ	(~{e})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{n}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
+COc1ccc(c(c1)c2nc(nc(n2)N)N)O	JWS	2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccc(cc3)F	JWT	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-fluoro-n-methylbenzenesulfonamide
+COC1(CS(=O)(=O)C1)[C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#CCCO	JWV	n-[(1s)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide
+CCCCCCCc1c(c(c2ccccc2n1)O)O	JWW	2-heptylquinoline-3,4-diol
+C[C@H](c1cccc2c1cccc2)N(C)Cc3c[nH]c4c3cccc4	JWX	(1r)-n-[(1h-indol-3-yl)methyl]-n-methyl-1-(naphthalen-1-yl)ethan-1-amine
+CCN1c2cc(ncc2C=C(C1=O)c3cc(c(cc3Cl)F)NC(=O)Nc4ccccc4)NC	JWY	n-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-n'-phenylurea
+[H]/N=C(/N)\N1CCC(CC1)(CN(C)CCCN2CN(C3(C2=O)CCN(CC3)CC[C@@H]4CC[C@H]5C[C@@H]4C5(C)C)c6ccccc6)O	JWZ	4-(((3-(8-(2-((1r,2s,5r)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide
+Cc1ccc(c2c1nccc2)c3cc(c(cc3O)O)c4c(c(on4)NC(=O)C)c5ccc(cc5)OC	JX1	n-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide
+COc1ccc(cc1C#CC(=O)NCc2ccco2)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5	JX2	3-[5-[(4~{a}~{r},8~{a}~{s})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(furan-2-ylmethyl)prop-2-ynamide
+Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc(n4)N[C@@H]5CCNC5	JX4	6-[7-methoxy-6-(1-methyl-1h-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-n-[(3r)-pyrrolidin-3-yl]pyridin-2-amine
+c1cc(ccc1C(=O)NCCCC(=O)N[C@H](CNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)I	JX5	(2~{s})-2-[[(2~{r})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid
+[H]/N=C(/N)\NCCCC(=O)C(=O)O	JX7	5-carbamimidamido-2-oxopentanoic acid
+c1cc2c(ccc(c2nc1)O)c3[nH]nnn3	JX8	5-(1~{h}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol
+c1c(cc(cc1Cl)Cl)c2cn(nn2)C[C@@H]3[C@@H]([C@@H](CN3)O)O	JXA	(2r,3s,4r)-2-{[4-(3,5-dichlorophenyl)-1h-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol
+c1nc(c2c(n1)n(c(n2)Br)CCCCN=[N+]=[N-])N	JXB	9-(4-azidobutyl)-8-bromanyl-purin-6-amine
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)NC(=O)C)/C)/C)/C)/C)/C)C	JXD	2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-beta-d-mannopyranosyl]-2-deoxy-1-o-[(s)-{[(r)-{[(2z,6z,10z,14e,18e)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-glucopyranose
+c1nc(c2c(n1)n(c(n2)Br)CCCCBr)N	JXE	8-bromanyl-9-(4-bromanylbutyl)purin-6-amine
+CC1=C[C@H](CN([C@@H]1C(=O)N)C=O)NOS(=O)(=O)O	JXG	(2s,5r)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3CCCCO3)N	JXH	8-bromanyl-9-[(2~{r})-oxan-2-yl]purin-6-amine
+c1nc(c2c(n1)n(c(n2)Br)CCCN)N	JXK	9-(3-azanylpropyl)-8-bromanyl-purin-6-amine
+c1ccc(cc1)[C@H](CN2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F)O	JXM	(8s)-9-[(2r)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one
+CCn1c2c(c(ncn2)N)nc1Br	JXN	8-bromanyl-9-ethyl-purin-6-amine
+c1cc(cc(c1)F)c2ccc(c(c2)COc3cc(nc4c3[nH]nn4)N)Cl	JXP	7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+C#CCCCCn1cnc2c1ncnc2N	JXQ	9-hex-5-ynylpurin-6-amine
+Cn1ccc(n1)c2cccc(c2)COc3cc(nc4c3[nH]nn4)N	JXS	7-{[3-(1-methyl-1h-pyrazol-3-yl)phenyl]methoxy}-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+C#CCCCn1c2c(c(ncn2)N)nc1Br	JXT	8-bromanyl-9-pent-4-ynyl-purin-6-amine
+c1ccc(cc1)[C@H](CNc2cc(ncn2)c3ccc4c(c3)OCCO4)O	JXV	(1r)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol
+Cc1nc2c(ncnc2n1CCCl)N	JXW	9-(2-chloroethyl)-8-methyl-purin-6-amine
+Cc1nc2c(ncnc2n1CCO)N	JXZ	2-(6-azanyl-8-methyl-purin-9-yl)ethanol
+C[C@H](Cc1cccc(c1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](CCC4=C)O)C	JY	3-(2-{4-[2-(5-hydroxy-2-methylene-cyclohexylidene)-ethylidene]-7a-methyl-octahydro-inden-1-yl}-propyl)-phenol
+CC[P](C)(CC)[Rh]([P](C)(CC)CC)([P](CC)(CC)CNCC(=O)NCCN1C(=O)CCC1=O)[P](CC)(CC)CNCC(=O)NCCN2C(=O)CCC2=O	JY1	bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium
+Cc1nc2c(ncnc2n1CCCC#C)N	JY2	8-methyl-9-pent-4-ynyl-purin-6-amine
+Cc1c2c3cc(c(cc3nnc2n[nH]1)OC)OC	JY4	7,8-dimethoxy-1-methyl-2h-pyrazolo[3,4-c]cinnoline
+c1nc(c2c(n1)n(c(n2)C#CCO)[C@H]3CCCCO3)N	JY5	3-[6-azanyl-9-[(2~{r})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol
+Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F	JY7	8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3h-pyrazolo[3,4-c]cinnoline
+CCn1c(nc2c1ncnc2N)C	JY8	9-ethyl-8-methyl-purin-6-amine
+CCn1c(nc2c1ncnc2N)C#C	JYB	9-ethyl-8-ethynyl-purin-6-amine
+C([C@@H](C(=O)O)S)C(=O)O	JYD	(2s)-2-sulfanylbutanedioic acid
+c1nc(c2c(n1)n(c(n2)Br)CCCN=[N+]=[N-])N	JYE	9-(3-azidopropyl)-8-bromanyl-purin-6-amine
+C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C5(CC5)C)NC6(CC6)C)C(=O)N1	JYG	3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6r)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3h)-one
+c1ccc(cc1)c2cccc3c2cc(cc3)C(=O)Nc4ccc(cc4)C(=O)O	JYH	4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid
+CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3Cl)C(=O)O)c4ccccc4)C	JYI	3-chloro-4-[(e)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid
+c1cc(cc(c1)Cl)C2(CC2)C(=O)N3CCN(CC3)C(=O)c4ccsc4	JYJ	{4-[1-(3-chlorophenyl)cyclopropane-1-carbonyl]piperazin-1-yl}(thiophen-3-yl)methanone
+c1nc(c2c(n1)n(c(n2)Br)CCN=[N+]=[N-])N	JYK	9-(2-azidoethyl)-8-bromanyl-purin-6-amine
+C1CCC(CC1)COc2c3c([nH]c(n3)C(F)(F)F)nc(n2)N	JYM	6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9h-purin-2-amine
+c1nc(c2c(n1)n(cn2)CCCCN=[N+]=[N-])N	JYN	9-(4-azidobutyl)purin-6-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O[C@@H]4[C@H]([C@H]([C@H]([C@@H](O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N	JYP	adenophostin a
+CC(=O)SCCCCn1cnc2c1ncnc2N	JYQ	~{s}-[4-(6-aminopurin-9-yl)butyl] ethanethioate
+c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C(=O)c3c[nH]c4c3c(ccc4F)Br	JYS	1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1h-indol-3-yl)ethane-1,2-dione
+c1nc(c2c(n1)n(c(n2)Br)CCCO)N	JYT	3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol
+CN(C)CCCN(C)Cc1nc(cs1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCC(CC4)[C@@H](C#N)c5ccccc5)c(cn2)OC	JYV	(2r)-{1-[{7-[2-({[3-(dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1h-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]piperidin-4-yl}(phenyl)acetonitrile
+c1nc(c2c(n1)n(c(n2)Br)CCCCO)N	JYW	4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol
+COc1cnc(c2c1c(c[nH]2)C(=O)C(=O)N3CCC(CC3)C(C#N)c4ccccc4)c5csc(n5)C(=O)NCCO	JYY	4-{3-[{4-[(r)-cyano(phenyl)methyl]piperidin-1-yl}(oxo)acetyl]-4-methoxy-1h-pyrrolo[2,3-c]pyridin-7-yl}-n-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide
+COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2ccccc2O	JYZ	(~{e})-2-cyano-~{n}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
+Cc1ccccc1O	JZ0	o-cresol
+CCc1ccccc1O	JZ1	2-ethylphenol
+Cc1ccc(cc1O)Cl	JZ2	5-chloro-2-methylphenol
+COc1ccccc1O	JZ3	guaiacol
+CCCc1ccccc1O	JZ4	2-propylphenol
+c1cc(sc1)/C=N\O	JZ5	(nz)-n-(thiophen-2-ylmethylidene)hydroxylamine
+c1c(cn[nH]1)Cl	JZ6	4-chloro-1h-pyrazole
+CCO[C@@H]1CCC=CO1	JZ7	(2s)-2-ethoxy-3,4-dihydro-2h-pyran
+Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3	JZ8	5-methyl-7-(naphthalen-2-ylamino)-1h-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium
+c1c[nH]c2c1CCCC2	JZ9	4,5,6,7-tetrahydro-1h-indole
+C1COCCN1C(=O)N2CCS2(=O)=O	JZA	4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine
+c1c(c2c(c(c1O)Cl)C/C(=N\OCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O	JZB	(5e,9e,11e)-13-chloro-14,16-dihydroxy-3,4,7,8-tetrahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione 11-[o-(2-oxo-2-piperidin-1-ylethyl)oxime]
+c1c(cc(c2c1C/C(=N\OCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O)O	JZC	(5e,9e,11e)-14,16-dihydroxy-3,4,7,8-tetrahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione 11-[o-(2-oxo-2-piperidin-1-ylethyl)oxime]
+c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl	JZD	2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid
+c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl	JZE	2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid
+CCOC(=O)CN1C(=O)CC(CC1=O)C[C@H]([C@@H]2C[C@H](C[C@@H](C2=O)C)C)O	JZF	ethyl (4-{(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate
+Cn1c2cc(c(cc2c(c1c3ccccc3)c4cn(nn4)CCC(=O)Nc5ccc(cc5)c6ccccc6)C(=O)O)O	JZG	3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1h-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1h-indole-5-carboxylic acid
+c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)[C@@H](C(=O)N2)c5ccc(cc5)O	JZH	(3s)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3h)-one
+c1ccc(cc1)/C=C/C[C@H](C(=O)O)NC(=O)c2ccc3ccccc3c2	JZI	(2r,4e)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid
+c1ccc2c(c1)C[C@H](NC2)c3[nH]cc(n3)c4ccc(cc4)Br	JZJ	(3s)-3-[4-(4-bromophenyl)-1h-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline
+c1ccc(c(c1)CNc2nc3cc(ccc3n2CC4CCCCC4)C(=O)N)Cl	JZK	2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1h-benzimidazole-5-carboxamide
+c1ccc(c(c1)CNc2nc3cc(cc(c3n2C[C@@H]4CCCCC[C@@H]4O)N)C(=O)N)Cl	JZL	7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1s,2s)-2-hydroxycycloheptyl]methyl}-1h-benzimidazole-5-carboxamide
+c1cc2c(c(c1)Sc3ccc(cc3)Cl)c(nc(n2)N)N	JZM	5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine
+Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N4CCC[C@@H]4C(=O)N)NC[C@](CC(C)(C)c5cc(ccc5OC)F)(C(F)(F)F)O	JZN	1-{[3-(4-{[(2r)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1h-indazol-1-yl)phenyl]carbonyl}-d-prolinamide
+CN1C(=C(C(=O)N1C)c2cccc(c2)COC)c3ccc4c(c3)nccn4	JZO	4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3h-pyrazol-3-one
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3Cl)Cl)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	JZP	(4r)-3-[(2s,3s)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3F)F)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	JZQ	(4r)-3-[(2s,3s)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	JZR	hexyl beta-d-glucopyranoside
+Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N[C@H](C)C(=O)N)NCC(C(F)(F)F)(C(F)(F)F)O	JZS	n-[(1r)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1h-indazol-1-yl)benzamide
+CC1(CC(=O)N(C(=O)C1)C[C@H](C(C)(C)C)NC(=O)N[C@H]2CCCCCCCCC[C@H](NC(=O)[C@@H]3[C@@H]4[C@@H](C4(C)C)CN3C2=O)[C@H](C(=O)NCC=C)O)C	JZT	(2r)-2-{(3s,13s,16as,17ar,17bs)-13-[({(1s)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2h-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-n-prop-2-en-1-ylethanamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)N)O)O)N	JZU	5'-deoxy-5'-(sulfamoylamino)adenosine
+C/C(=N/OCc1ccccc1/C(=N\OC)/C(=O)OC)/c2cccc(c2)C(F)(F)F	JZV	methyl (2e)-(methoxyimino)(2-{[({(1z)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)ethanoate
+CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc(c4)CO)N5CCOCC5	JZW	[3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol
+CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4ccc(nc4)N)N5CCOCC5	JZX	5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine
+Cc1c(cnc(n1)N)c2nc3cc(sc3c(n2)N4CCOCC4)CN5CCN(CC5)S(=O)(=O)C	JZY	4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
+CC(C)(C)C#Cc1ccc2cccc(c2c1)N3C(=NN(C3=O)C)OC	JZZ	4-[7-(3,3-dimethylbut-1-yn-1-yl)naphthalen-1-yl]-5-methoxy-2-methyl-2,4-dihydro-3h-1,2,4-triazol-3-one
+[K+]	K	potassium ion
+C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)F)O)O)O)O)O	K00	(2r,3r,4r,5r,6s)-3-fluoro-4,5-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
+CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCCC2	K01	n,n-diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CC[C@H](C2)C	K02	(5r)-n,n-diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCC(C2)(C)C	K03	n,n-diethyl-5,5-dimethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+C[C@H]1CCO[C@@H]1C(=O)Nc2cnns2	K04	(2s,3s)-3-methyl-n-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name)
+COc1ccc2ccccc2c1\C=N\NC(=O)c3ccc(c(c3)O)O	K05	(e)-3,4-dihydroxy-n'-[(2-methoxynaphthalen-1-yl)methylene]benzohydrazide
+CN(C[C@H]1CCOC1)c2c(cncn2)Cl	K07	5-chloro-n-methyl-n-{[(3r)-oxolan-3-yl]methyl}pyrimidin-4-amine
+CC\1=C(c2ccccc2/C1=C\c3ccc(cc3)C(C)C)CCc4[nH]nnn4	K08	5-(2-{(1z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1h-inden-3-yl}ethyl)-1h-tetrazole
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)C(C)C)F)CCc4[nH]nnn4	K09	5-(2-{(1z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1h-inden-3-yl}ethyl)-1h-tetrazole
+Cc1c(nc(s1)C)C(=O)N2CCCC2	K0A	(2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone
+c1ccc2cc(ccc2c1)n3cnc4c3nc(nc4NCc5[nH]c6ccc(c(c6n5)F)F)N7CCOCC7	K0B	~{n}-[[4,5-bis(fluoranyl)-1~{h}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine
+C[C@@H]1CN([C@H](CO1)C)C(=O)c2cnsn2	K0D	[(2r,5s)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone
+c1cc(cc(c1)F)n2cnc3c2nc(nc3NCc4[nH]c5c(n4)ccc(c5F)F)N6CCOCC6	K0E	~{n}-[[6,7-bis(fluoranyl)-1~{h}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine
+c1ccc(cc1)NC(=O)Nc2cccnc2	K0G	n-phenyl-n'-pyridin-3-ylurea
+CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(=O)OC)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4	K0H	methyl 2-[(3~{a}~{r},6~{r},8~{a}~{s})-1-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{h}-pyrrolo[2,3-c]azepin-7-yl]ethanoate
+c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O	K0I	3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid
+CCNC(=O)c1c[nH]nn1	K0J	n-ethyl-1h-1,2,3-triazole-4-carboxamide
+CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(=O)O)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4	K0K	2-[(3~{a}~{r},6~{r},8~{a}~{s})-1-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{h}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid
+Cc1cc(cc(c1OCC(=O)O)C)N	K0L	(4-amino-2,6-dimethylphenoxy)acetic acid
+Cc1cc(on1)C(=O)Nc2ccn(n2)C	K0M	3-methyl-n-(1-methyl-1h-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
+CC(C)(C)c1nnc(s1)NC(=O)/C(=C/c2ccc(c(c2)OC)O)/C#N	K0N	(~{e})-~{n}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
+CCn1cc(cn1)CNC(=O)c2cccnc2	K0P	n-[(1-ethyl-1h-pyrazol-4-yl)methyl]pyridine-3-carboxamide
+c1ccc2c(c1)c(c[nH]2)CCNC(=O)CN3C=CC=C(C3=O)O	K0Q	~{n}-[2-(1~{h}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide
+CCCc1nnc(s1)NC(=O)c2ccccn2	K0S	n-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c3cccc4c3cccc4N(C)C	K0T	(2~{s})-5-carbamimidamido-2-[[(2~{s})-2-[[(2~{s})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid
+CC(C)(C)NC(=O)N1CCC(CC1)C(=O)OC	K0V	methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate
+[C@@H]1([C@@H]([C@H]([C@@H]([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	K0W	[(1~{s},2~{r},3~{r},4~{s},5~{s},6~{r})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate
+c1cc(ccc1CNC(=O)c2cnc3nc2NCCCC[C@@H](C(=O)NCCCCCCN3)N)F	K0X	(7s)-7-amino-n-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide
+Cc1cc(no1)C(=O)NCC(=O)OC	K0Y	methyl n-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
+COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)Br	K0Z	(~{e})-~{n}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide
+Cc1ccc(c(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N)C	K10	1-tert-butyl-3-(2,5-dimethylbenzyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5[nH]c6cc(ccc6n5)C(F)(F)F	K11	n-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1h-benzimidazol-2-amine
+C(CCCCCCOP(=O)(O)O)CCCCCO	K12	12-hydroxydodecyl dihydrogen phosphate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	K13	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{[(4-aminophenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	K14	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}propyl]carbamate
+CCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	K15	5'-{[(3s)-3-amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine
+c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br	K17	4,5,6,7-tetrabromo-benzimidazole
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5	K19	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate
+Cc1c(c(on1)C)CN2C(=O)SC(=N2)C	K1A	3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3h)-one
+c1cc(c(cc1/C=C(\C#N)/C(=O)Nc2nnc(s2)Br)[N+](=O)[O-])O	K1B	(~{e})-~{n}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide
+c1[nH]c2c(n1)c(ncn2)N3CCC3	K1D	6-(azetidin-1-yl)-9h-purine
+Cn1cc(cn1)Nc2nc3ccc(nc3c(n2)NC4CCC(CC4)N5CCN(CC5)C(=O)OC)CC#N	K1E	methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate
+CC(C)N(C)c1c2cnn(c2ncn1)C	K1G	n,1-dimethyl-n-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+COC(=O)N1CCN(CC1)C2CCC(CC2)Nc3c4cc(ccc4ncn3)C#N	K1H	methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate
+Cc1nc(sn1)N2CCO[C@H]([C@H]2C)C	K1J	(2s,3r)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6	K1N	(3~{s},7~{r},10~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
+Cc1nc(sn1)N2CCCNCC2	K1P	1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCCc4ccccc4F)OC	K1Q	3-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide
+C(C[S@@](=O)NSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	K1R	(2s)-2-amino-4-[({[(2r)-2-amino-2-carboxyethyl]thio}amino)sulfinyl]butanoic acid
+CCN(CC)c1cc(nc2n1ncn2)C	K1S	n,n-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCN	K1T	5-[(2s)-2-{[(4-aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid
+c1ccc(cc1)C[C@H](CC(=O)O)C(=O)SCC(=O)c2ccccc2	K1U	(3r)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid
+CC(=O)N1CCC[C@H](C1)C(=O)N	K1V	(3r)-1-acetylpiperidine-3-carboxamide
+c1ccc(cc1)C[C@@H]2CNCCN2C(=O)c3ccc(cc3)S(=O)(=O)N	K1W	4-[(2~{r})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
+Cc1nc(c(s1)NC(=O)OC)c2ccccc2	K1Y	methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)OP(=O)(O)O)N)O)O)N	K1Z	[(2~{r},3~{r},4~{r},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	K20	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate
+COc1ccc2c(c1)CN(CCS2)C(=O)CCN3CCC(CC3)Cc4ccccc4	K21	4-[3-{1-(4-benzyl)piperodinyl}propionyl]-7-methoxy-2,3,4,5-tertrahydro-1,4-benzothiazepine
+c12c(c(c(c(c1Br)Br)Br)Br)NC(=S)N2	K22	4,5,6,7-tetrabromo-1h,3h-benzimidazol-2-thione
+c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)O)Cl	K23	6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-1h-indole-2-carboxylic acid
+Cc1ncc(s1)C(=O)NC	K24	n,2-dimethyl-1,3-thiazole-5-carboxamide
+CN(C)c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br	K25	4,5,6,7-tetrabromo-n,n-dimethyl-1h-benzimidazol-2-amine
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)P(=O)(O)O)NC(=O)C	K26	n-acetyl-l-ile-l-tyr-(r)-1-amino-2-(4-hydroxyphenyl)ethylphosphonic acid
+c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C(=O)N	K27	4-carbamoyl-1-(3-{4-[(e)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium
+CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	K28	[(2~{r},3~{r},4~{r},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate
+c1ccc2c(c1)cc(cn2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O	K29	(3~{r})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	K2A	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2s)-2-methylbutyl]amino)propyl]carbamate
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	K2B	(8alpha,9beta)-cholest-4-en-3-one
+c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4	K2C	6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	K2D	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate
+CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	K2E	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate
+CC(C)c1ncc(c(n1)C(=O)N)Cl	K2G	5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide
+CN(CC#Cc1[nH]c2c(n1)c(ncn2)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	K2H	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-(6-azanyl-9~{h}-purin-8-yl)prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol
+CNc1nccc(n1)OC	K2J	4-methoxy-n-methylpyrimidin-2-amine
+c1nc(c2c(n1)[nH]c(n2)C#CCCNC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N	K2K	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{h}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)N	K2M	4-(furan-2-carbonyl)piperazine-1-carboxamide
+CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@@H](N2)C)c3ccccc3	K2N	ethyl [(2s)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
+c1ccc(c(c1)C(=O)O)OC(F)(F)F	K2P	2-(trifluoromethoxy)benzoic acid
+C1C=C[C@]2(C=C(C[C@H]([C@@H]2O)O1)C(=O)O)O	K2Q	(1r,6r,10s)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(z),7-diene-8-carboxylic acid
+c1cc(cc(c1)c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)CCC(=O)O	K2R	3-[3-[9-[(2r,3r,4s,5r)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]phenyl]propanoic acid
+Cc1c(c(n[nH]1)C)S(=O)(=O)N(C)C	K2S	n,n,3,5-tetramethyl-1h-pyrazole-4-sulfonamide
+Cc1ccc2c(c1)sc(n2)N	K2T	6-methyl-1,3-benzothiazol-2-amine
+c1ccc(cc1)C[C@H](CC(=O)O)[C@H](O)SCc2ccccc2	K2U	(3~{r},4~{r})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid
+C[C@H](c1ccc(cc1)c2cncnc2)N	K2V	(1r)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N	K2W	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[4-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]but-3-ynylamino]methyl]oxolane-3,4-diol
+c1c(c(cc(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	K2Y	(2,4,5-triphosphonooxyphenyl) dihydrogen phosphate
+CC[C@@H]([C@@H](C(=O)NCCCN1CCN(CC1)C)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	K2Z	benzyl [(1s)-1-{[(1s,2s)-1-ethyl-2-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl]carbamoyl}-3-methylbutyl]carbamate
+C[N@]1CC[C@@H]([C@@H](C1)F)N(C)C(=O)N2CC(=C[C@@]2(CO)c3ccccc3)c4cc(ccc4F)F	K30	(2s)-4-(2,5-difluorophenyl)-n-[(3r,4s)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-n-methyl-2-phenyl-2,5-dihydro-1h-pyrrole-1-carboxamide
+Cc1c(c(n[nH]1)C)c2ccccc2N	K31	2-(3,5-dimethyl-1h-pyrazol-4-yl)aniline
+c12c(c(c(c(c1Br)Br)Br)Br)NC(=O)N2	K32	4,5,6,7-tetrabromo-1h,3h-benzimidazol-2-one
+CCCCCCCCCCCCCC(=O)N[C@H]1[C@H]([C@@H]([C@@H](O[C@H]1OC[C@@H]2[C@@H](CC[C@@H](O2)OP(=O)(O)O)O)CO)OP(=O)(O)O)O	K33	2,3-dideoxy-6-o-[2-deoxy-4-o-phosphono-2-(tetradecanoylamino)-alpha-l-gulopyranosyl]-1-o-phosphono-beta-d-threo-hexopyranose
+c1csc(n1)c2[nH]ncn2	K34	5-(1,3-thiazol-2-yl)-1h-1,2,4-triazole
+CCCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO	K35	~{n}-[(1~{r},2~{r},3~{r},4~{s},5~{s},6~{s})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]pentanamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCc2ccccc2	K36	(1s,2s)-2-({n-[(benzyloxy)carbonyl]-l-leucyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CSc1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br	K37	4,5,6,7-tetrabromo-2-(methylsulfanyl)-1h-benzimidazole
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N	K38	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynylamino]methyl]oxolane-3,4-diol
+Cc1cc(n[nH]1)NC(=O)C	K3A	n-(5-methyl-1h-pyrazol-3-yl)acetamide
+c1nc(c2c(n1)[nH]c(n2)C#CCOC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N	K3B	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[3-(6-azanyl-9~{h}-purin-8-yl)prop-2-ynoxymethyl]oxolane-3,4-diol
+CCNC(=O)N1CCN(CC1)C(=O)C	K3D	4-acetyl-n-ethylpiperazine-1-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CN)O)O)N)O)O)N	K3E	(2~{r},3~{s},4~{r},5~{r})-2-(aminomethyl)-5-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol
+O=[Mo]123O[Mo]45(=O)O[Mo]6(=O)(O1)O[Mo]78(=O)O[Mo]91(=O)(O6)O[P+]6%10O[Mo]%11%12(=O)(O2)O[Mo](=O)(O3)(O9)O[Mo]2(=O)(O1)O[Mo]1(=O)(O%11)O[Mo](=O)(O4)(O%12)O[Mo](=O)(O6)(O5)(O7)O[Mo](=O)(O%10)(O2)(O1)O8	K3G	phosphomolybdate keggin
+CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	K3H	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol
+CCNc1ccc(nn1)C	K3J	n-ethyl-6-methylpyridazin-3-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N	K3K	(2~{r},3~{r},4~{s},5~{r})-2-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
+Cc1ccc(c(c1)F)C(=O)N	K3M	2-fluoro-4-methylbenzamide
+CCCCNC(=O)C#Cc1cc(ccc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CCCC3)C4CCCCCC4	K3N	3-[5-[(4~{a}~{r},8~{a}~{s})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-butyl-prop-2-ynamide
+Cn1cc(cn1)Oc2c(cncn2)Cl	K3P	5-chloro-4-[(1-methyl-1h-pyrazol-4-yl)oxy]pyrimidine
+COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O	K3Q	3,6-o-dimethyl-d-glucose
+CCNCc1cn(nn1)C	K3S	n-[(1-methyl-1h-1,2,3-triazol-4-yl)methyl]ethanamine
+c1cc2c(cc1F)sc(c2Cl)C(=O)NC3=NCCS3	K3T	3-chloranyl-~{n}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide
+c1ccc(cc1)C[C@H](CC(F)(F)F)C(=O)SCC(=O)c2ccccc2	K3U	s-(2-oxo-2-phenylethyl) (2r)-2-benzyl-4,4,4-trifluorobutanethioate
+COc1ccc2c(c1OC)C(=O)NN=C2	K3V	7,8-dimethoxyphthalazin-1(2h)-one
+CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)Nc4cccc(c4)OC)OC	K3W	3-[5-[(4~{a}~{r},8~{a}~{s})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{n}-(3-methoxyphenyl)prop-2-ynamide
+Cn1cc(c(n1)[C@@H]2CCCNC2)C(=O)N	K3Y	1-methyl-3-[(3r)-piperidin-3-yl]-1h-pyrazole-4-carboxamide
+COc1ccc(cc1)/C=C/C(=O)O	K3Z	(e)-3-(4-methoxyphenyl)acrylic acid
+CC(C)C(=O)Nc1nnn(n1)C	K41	2-methyl-n-(2-methyl-2h-tetrazol-5-yl)propanamide
+c1cc(ccc1O)OCCN	K42	4-(2-azanylethoxy)phenol
+C[N@@]1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br	K44	5,6,7,8-tetrabromo-1-methyl-2,3-dihydro-1h-imidazo[1,2-a]benzimidazole
+CN1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N	K45	4-[(3~{s})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
+CCn1c(c(cn1)c2nc3c(n2C)ncnc3O[C@H]4CCN(C4)C(=O)C5CCOCC5)C	K47	[(3s)-3-{[8-(1-ethyl-5-methyl-1h-pyrazol-4-yl)-9-methyl-9h-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone
+[H]/N=C(\c1cc(c(s1)N)c2ccccc2)/N	K48	5-azanyl-4-phenyl-thiophene-2-carboximidamide
+CCn1c(c(cn1)c2nc3c(n2C)ncnc3N4CCC(CC4)N5c6cccnc6NC5=O)C	K4A	1-{1-[8-(1-ethyl-5-methyl-1h-pyrazol-4-yl)-9-methyl-9h-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one
+c1ccc(cc1)CN2CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N	K4B	4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide
+c1cc(c(cc1OCC(F)(F)F)C(=O)NC[C@H]2CCCCN2)OCC(F)(F)F	K4D	flecainide
+COc1ccc(cc1NCC(=O)NC2CCC(CC2)N3c4ccccc4NC3=O)Cl	K4E	n~2~-(5-chloro-2-methoxyphenyl)-n-[trans-4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)cyclohexyl]glycinamide
+CC1([C@@H](N(C(=O)O1)c2ccc(cc2)C(=O)Nc3cccc4c3nccc4)c5ccccc5)C	K4F	4-[(4s)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-n-(quinolin-8-yl)benzamide
+CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O	K4G	3-oxo-n-[(3s)-2-oxooxolan-3-yl]tetradecanamide
+c1ccc(cc1)CN2CCCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N	K4H	4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide
+B(c1ccc(cc1F)[C@H]2COC(=O)N2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O	K4J	(4-{(4s)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid
+c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCCc3cccs3)O	K4K	(3~{s})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{n}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
+B(c1ccc(cc1F)c2ncnn2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O	K4M	(4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1h-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid
+c1cc(ccc1O)S(=O)(=O)N	K4N	4-oxidanylbenzenesulfonamide
+B1(c2c(cc(cc2Cl)N(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O	K4P	6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-n-methyl-1-benzofuran-3-carboxamide
+CCCCCCCC(=O)OC[C@@H](C=O)N	K4Q	[(2~{s})-2-azanyl-3-oxidanylidene-propyl] octanoate
+B(c1ccc(cc1)N(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O	K4S	(4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid
+Cn1c(cc(n1)c2ccccc2)C(=O)NC3CC3	K4T	~{n}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide
+CC(=O)Oc1ccc(cc1)[N+](=O)[O-]	K4V	4-nitrophenyl acetate
+CC[C@H](CO)Nc1nc(c(c(n1)NC(C)C)N=O)NCc2ccc(cc2)O	K4W	4-[[[5-nitroso-2-[[(2~{r})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol
+COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)N	K4Y	4-amino-n-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCC[C@H](C(=O)Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)[NH3+]	K4Z	3-[3-[[4-[[4-[[4-[[4-[[(2~{r})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium
+CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3ccc(cc3)C#N	K51	4-(6-{[(1s)-1-(hydroxymethyl)-2-methylpropyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzonitrile
+C[C@H](c1ccc(cc1)S(=O)(=O)NC(=O)C)NC(=O)c2cc(nn2C)c3ccccc3	K52	~{n}-[(1~{r})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccccc3O)O)S(=O)(=O)c4ccc5c(c4)OCO5	K53	(5s)-n-{(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccccc3C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)scn5	K54	(5s)-n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
+CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)C[C@H](CC)C(=O)O	K55	(2s)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
+COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5NC4=O	K56	3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one
+Cc1c(cccc1O)C(=O)N[C@@H](Cc2ccccc2)C(C(=O)N3CSC([C@H]3C(=O)NC(C)(C)C)(C)C)O	K57	(4r)-n-tert-butyl-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide
+C[C@H](c1ccc(cc1)C(=O)O)NC(=O)c2cc(nn2C)c3ccccc3	K58	4-[(1~{r})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
+Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)C#N	K5A	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide
+C([C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O	K5B	4,7-anhydro-3-deoxy-d-gluco-oct-2-ulosonic acid
+Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N	K5C	4-({4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide
+c1cc(cc(c1)Br)OCC(=O)N[C@@H]2C[C@@H]3C[C@@H]3[C@@H]2O	K5D	2-(3-bromophenoxy)-n-[(1s,2s,3r,5s)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide
+c1cc(cc(c1)O)[C@H]2C3=C(CCCC3O)NC(=S)N2	K5E	(4s,5r)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1h)-thione
+c1cc(cc(c1)Br)OCCCC(=O)N[C@H]2CCSC2=O	K5G	4-(3-bromophenoxy)-n-[(3s)-2-oxothiolan-3-yl]butanamide
+C([C@@H](C(=O)O)N)SCC(C(F)(F)F)(O)O	K5H	(2~{r})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid
+CS(=O)(=O)c1cccc(c1)OCCCC(=O)N[C@@H]2C[C@H]3C[C@H]3C2=O	K5J	4-[3-(methylsulfonyl)phenoxy]-n-[(1r,3r,5r)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide
+Cc1cc2c(cc(n2C)C(=O)N[C@H](CO)c3ccc(cc3)S(=O)(=O)CC(=O)O)c(c1Cl)Cl	K5K	2-[4-[(1~{s})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid
+C([C@H](C(=O)O)N)OC(=O)CC(=O)O	K5L	(2~{r})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
+CS(=O)(=O)c1cccc(c1)OCCCC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2=O	K5M	4-[3-(methylsulfonyl)phenoxy]-n-[(1s,3s,5s)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide
+C[C@H](c1ccc(cc1)C(=O)NS(=O)(=O)C)NC(=O)c2cc(nn2C)c3ccccc3	K5N	2-methyl-~{n}-[(1~{r})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide
+CC(C)(C)c1ccc(cc1)N2[C@@H]([C@H](c3ccccc3C2=O)C(=O)O)c4ccc(cc4)OC	K5P	(3s,4s)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
+c1ccc\2c(c1)C/C(=N\O)/C2=C/c3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	K5Q	(2s)-6-[(e)-[(2e)-2-hydroxyimino-3h-inden-1-ylidene]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC(C)(C)c1ccc(cc1Cl)N2[C@@H]([C@H](c3ccc(cc3C2=O)F)CC(=O)O)c4ccc5c(c4)OCCO5	K5S	[(3s,4s)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@H](C)C(=O)O)C(=O)N)N	K5T	(2~{r})-2-[[(2~{s})-2-[[(4~{r})-5-azanyl-4-[[(2~{s})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid
+c1cc(cc(c1)O)N	K5V	3-aminophenol
+c1cc(c(c(c1)S(=O)(=O)N)F)F	K5W	2,3-bis(fluoranyl)benzenesulfonamide
+c1ccc(cc1)CCCCOCCCCCCNC[C@@H](c2ccc(c(c2)CO)O)O	K5Y	salmeterol
+[H]/N=C(\c1cc(c(s1)CCCN)c2ccccc2)/N	K5Z	5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)OCO5	K60	5s)-n-[(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr ifluoromethyl)phenyl]-5-oxazolidinecarboxamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc5c(c4)OCO5	K62	(5s)-3-(3-acetylphenyl)-n-[(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)pr opyl]-2-oxo-5-oxazolidinecarboxamide
+Cc1ccccc1CNC(=O)[C@@H]2C(SC[N@]2C(C(=O)[C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C	K64	3-[2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyryl]-5,5- dimethyl-thiazolidine-4-carboxylic acid 2-methyl-benzylamide
+[H]/N=C(\c1cc(cs1)c2ccccc2NC(=O)C=C)/N	K65	~{n}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide
+CN(C)c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br	K66	[4,5,6,7-tetrabromo-2-(dimethylamino)-1h-benzimidazol-1-yl]acetic acid
+CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OCC)CC(=O)C	K67	n,n'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide)
+c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br	K68	(4,5,6,7-tetrabromo-1h-benzimidazol-1-yl)acetic acid
+[H]/N=C(/c1cc2cccc(c2s1)c3cccc(n3)N)\N	K6B	7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N](C)(C)C)O	K6G	[(2~{r})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate
+C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl	K6H	(2s)-2-chloranyl-2-[(2r)-5-oxidanylidene-2h-furan-2-yl]ethanoic acid
+CN(CCOc1ccc(cc1)C2CCN(CC2)c3ccc4nnc(n4n3)OC)c5ccc6nnc(n6n5)OC	K6K	3-methoxy-n-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-n-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
+CC(C)(C)NCCCNC(=O)c1cccc(c1)C(F)(F)F	K6M	n-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide
+[H]/N=C(\c1cc2cccc(c2s1)n3cc(c(n3)N)C)/N	K6N	7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide
+CC(C)(C)NCCCNC(=O)c1cccc(c1)I	K6P	n-[3-(tert-butylamino)propyl]-3-iodobenzamide
+C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)F	K6Q	4-[(~{e})-2-(4-fluorophenyl)ethenyl]-1-[(~{e})-prop-1-enyl]piperidine
+CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C	K6S	n-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide
+[H]/N=C(\c1cc(c(s1)Nc2cccc(c2)N)c3ccccc3)/N	K6T	5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide
+CCCC(=O)N[C@@H](C)CO	K6V	n-[(2s)-1-hydroxypropan-2-yl]butanamide
+[H]/N=C(/c1cc(c(s1)Cc2ccccc2)c3ccccc3)\N	K6W	4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide
+c12c(c(c(c(c1Br)Br)Br)Br)[nH]nc2Br	K6X	3,4,5,6,7-pentabromo-1h-indazole
+Cc1cc(no1)[C@@](C)(C#Cc2cc-3c(cc2F)C4CC(C4)n5c3nc(c5C(=O)NC)C(=O)N)O	K6Y	(5s,7s)-9-fluoro-10-[(3r)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-n~3~-methyl-6,7-dihydro-5h-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide
+[H]/N=C(\c1cc(c(s1)Nc2ccccc2)c3ccccc3)/N	K6Z	4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide
+c1cc2c(nc1)[N+](=C3C=CC=CC3=S2)Cc4ccc(cc4)C(=O)NO	K70	10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium
+CO[C@@H]1C[C@@](O[C@@H]([C@@H]1O)[C@@H](CO)O)(C(=O)O)O	K71	3-deoxy-4-o-methyl-alpha-d-manno-oct-2-ulopyranosonic acid
+C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)C(F)(F)F	K72	1-[(~{e})-prop-1-enyl]-4-[(~{e})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)CN)N	K73	(2~{s})-~{n}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
+CNC(=O)CSc1nc2c(n1C)c(c(c(c2Br)Br)Br)Br	K74	n-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1h-benzimidazol-2-yl)sulfanyl]acetamide
+CC#C[C@@H]1c2cc3c(cc2N=C(N1)N)[nH]c(n3)NC	K75	(8~{r})-~{n}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{h}-imidazo[4,5-g]quinazoline-2,6-diamine
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C=CC(=O)N3CC(C3)(F)F	K76	(2e)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one
+CC(C)(C)c1cc(c(c(c1)Br)O)CNCCCc2ccccc2	K78	2-bromo-4-tert-butyl-6-{[(3-phenylpropyl)amino]methyl}phenol
+c1c(nc(c(n1)C(=O)O)C(=O)O)O	K7A	5-hydroxypyrazine-2,3-dicarboxylic acid
+c1ccc(cc1)c2cccc3c2NC=C(C3=O)C(=O)O	K7D	4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid
+S[Cu]S([Cu])([Cu])[Cu]	K7E	sulfanyl-(tricuprio-$l^{4}-sulfanyl)copper
+Cc1cc(cc(c1Oc2c(cnc(n2)NC3CCN(CC3)Cc4ccc(cc4)C(=O)N)c5ccncc5)C)C#N	K7F	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide
+c1ccc(cc1)C2=CS/C(=C(/C#N)\C(=O)c3ccccc3Cl)/N2	K7G	thiapronil
+CNc1[nH]c2cc3c(cc2n1)CNC(=N3)N	K7H	~{n}2-methyl-7,8-dihydro-3~{h}-imidazo[4,5-g]quinazoline-2,6-diamine
+C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O	K7I	l-alanyl-n-[(1s,2r)-1-benzyl-2-hydroxypropyl]-l-alaninamide
+C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@@H](CCl)O)NC(=O)CCC(=O)O	K7J	n-(3-carboxypropanoyl)-l-alanyl-l-alanyl-n-[(2s,3s)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-l-prolinamide
+CCCCCC[P@](=O)(OC[C@@H](C(=O)O)N)Oc1cccnc1c2c(cccn2)O	K7K	2-azanyl-3-[hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphoryl]oxy-propanal
+C[C@H](Cc1ccccc1)NO	K7M	(2r)-n-hydroxy-1-phenylpropan-2-amine
+[H]/N=C(\c1cc(c(s1)c2cn(cn2)CCN)c3ccccc3)/N	K7N	5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
+[H]/N=C(/c1cc2c(ccc(c2s1)OC)C(=O)NCCN)\N	K7Q	~{n}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide
+Cc1ccc(cc1c2ccc3c(c2)NC(=O)N3C)NC(=O)c4cccc(c4)C(F)(F)F	K7S	n-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
+[C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	K7V	 neo-inositol pentakisphosphate
+CC(C)[C@@H](C(=O)O)NC(=O)CCSc1ccc(cc1)Cl	K7Z	(2~{s})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid
+Cc1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O	K80	(2s,3r,4s,5s)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol
+Cc1ccc(cc1c2cc(nc(c2)OCCO)N3CCOCC3)NC(=O)c4ccnc(c4)C(F)(F)F	K81	n-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide
+CCCOc1ccc(cc1Cl)CN	K82	1-(3-chloro-4-propoxyphenyl)methanamine
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc(cc3)OC	K83	3-hydroxy-n-[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]benzamide
+CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(o1)c2ccccn2	K84	(9z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one
+CC(C)OC(=O)CCn1cnc(n1)c2cc(cc(c2)OC)C(F)(F)F	K85	propan-2-yl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl}propanoate
+CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC	K86	4-tert-butyl-n-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide
+Cc1cccc(c1NC(=O)CCOc2c(c(nc(n2)c3ncccn3)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)Oc5ccccc5OC)C	K87	3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-n-(2,6-dimethylphenyl)propanamide
+CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c3cc4c([nH]3)CCCC4)/C(=O)N2	K88	(3z)-n,n-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1h-indol-2-ylmethylidene)-2,3-dihydro-1h-indole-5-sulfonamide
+c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F	K89	4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{n}-[3,4,5-tris(fluoranyl)phenyl]benzamide
+c1c(cncc1Br)c2n[nH]nn2	K8A	3-bromo-5-(2h-tetrazol-5-yl)pyridine
+C/C=C/N1CCC(CC1)CCc2ccc(cc2)C(C)C	K8B	4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{e})-prop-1-enyl]piperidine
+CNc1ccc(c(c1)C(=O)O)C(=O)O	K8D	4-(methylamino)benzene-1,2-dicarboxylic acid
+c1cc(c(cc1[N+](=O)[O-])C(=O)O)C(=O)O	K8G	4-nitrobenzene-1,2-dicarboxylic acid
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CN4CCCC45CCNCC5)O)O	K8H	(2~{r},3~{r},4~{s},5~{r})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol
+c1cc(c(cc1F)C(=O)O)C(=O)O	K8J	4-fluorobenzene-1,2-dicarboxylic acid
+c1ccc(cc1)Cc2nc([nH]n2)C(=O)N[C@H]3CCc4cc(cc(c4NC3=O)F)F	K8K	~{n}-[(3~{s})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{h}-1,2,4-triazole-5-carboxamide
+c1cc(ccc1NC(=O)[C@@H]2CC(CN(C2)C(=O)c3cc(cc(c3)F)c4ccncc4)(F)F)Cl	K8M	(3r)-n-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzene-1-carbonyl]piperidine-3-carboxamide
+c1cc2cc(c(nc2cc1CC[C@H]3C[C@H]([C@@H]([C@@H]3O)O)n4ccc5c4ncnc5N)N)Br	K8N	(1~{s},2~{r},3~{s},5~{r})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol
+C[C@@H](C(=O)C=C)N[C@@H]([C@@H](COP(=O)(O)O)O)O	K8P	[(2~{r},3~{r})-2,3-bis(oxidanyl)-3-[[(2~{s})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate
+c1cc2c(c(c1)Br)NC(=O)N2C3CCN(CC3)C(=O)Nc4ccc(cc4)I	K8Q	4-(4-bromanyl-2-oxidanylidene-3~{h}-benzimidazol-1-yl)-~{n}-(4-iodophenyl)piperidine-1-carboxamide
+c1cc(cc(c1)C(=O)N2C[C@H](CC(C2)(F)F)C(=O)Nc3ccc(cc3)Cl)c4ccco4	K8S	(3s)-n-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzene-1-carbonyl]piperidine-3-carboxamide
+c1ccc(cc1)c2ccc(cc2)CCNC(=O)CN3C=CC=C(C3=O)O	K8T	2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{n}-[2-(4-phenylphenyl)ethyl]ethanamide
+c1cc(c(cc1NC(=O)CCCC(=O)O)C(=O)O)C(=O)O	K8V	4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid
+[H]/N=C(\c1cc2cccc(c2s1)c3ccc(c(n3)N)C)/N	K8W	7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide
+c1[nH]c2c(n1)c(c(c(c2I)I)I)I	K8X	4,5,6,7-tetraiodo-1h-benzimidazole
+c1cc(c(cc1NC(=O)CCC(=O)O)C(=O)O)C(=O)O	K8Y	4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid
+c1cc2c(ccc(c2nc1)Oc3cc(ccc3O)Cl)Cl	K91	4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol
+[H]/N=C(/c1cc(c(s1)c2cncn2CCN)c3ccccc3)\N	K92	5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
+CC(C)(C[C@@H](C(=O)O)N)C(F)F	K94	4-(difluoromethyl)-l-leucine
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccccc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C	K95	(4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-{[s-methyl-n-(phenylacetyl)-l-cysteinyl]ami no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+c1cc2c(cc1C(=O)O)[nH]cc2CN3CCOCC3	K97	3-(morpholin-4-ylmethyl)-1h-indole-6-carboxylic acid
+C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)O)O)O)O	K99	(2r,3r,4r,5r,6s)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1r,2r)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
+Cc1ncc(cn1)c2cccc(c2)N3CCN(CC3)c4cnc(nc4N)N	K9A	5-{4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine
+[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)(O)O	K9B	(4~{r})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
+CCCCCCCCCCOc1cc(cnc1)CC(P(=O)(O)O)P(=O)(O)O	K9H	{2-[5-(decyloxy)pyridin-3-yl]ethane-1,1-diyl}bis(phosphonic acid)
+CCC(=O)N1CCN(CC1)c2c3c(nc(n2)O[C@H](C)CN(C)C)CN(CC3)c4cc(cc5c4cccc5)O	K9J	1-{4-[2-{[(2r)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
+[B-]12([C@H](Cc3cccc(c3O1)C(=O)O)N=C(O2)CC4CCC(CC4)NCCN)O	K9K	(10ar)-2-(((1r,4r)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10h-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide
+c1cc(cc(c1)F)C[C@H]2C[C@@H]2NCCc3ccnc(n3)n4ccnc4	K9L	(1s,2s)-2-(3-fluorobenzyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine
+CCC(=O)N1CCN(CC1)c2c3c(ncn2)CN(CC3)c4cccc5c4cccc5	K9M	1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
+CCCCCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C	K9P	1-[(1s)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one
+c1ccc(cc1)c2ccc(cc2)C[C@@H](CN)NC(=O)[C@@H]3C[C@H](CN3)O	K9Q	(2~{s},4~{r})-~{n}-[(2~{s})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1ccc2c(c1)c(cs2)CN	K9S	1-(1-benzothiophen-3-yl)methanamine
+CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCOP(=O)(O)O)ncnc2Nc3ccc4c(c3)ncs4	K9T	2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate
+c1ccc(cc1)CCCNC(=O)NC2CCC(CC2)OCc3c(cccc3F)F	K9V	n-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-n'-(3-phenylpropyl)urea
+c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2CCCN2)c3ccc(cc3)C#N	K9W	(2~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)n4cnc5c4ncnc5N	K9Y	1-[4-(6-amino-9h-purin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2C[C@@H](CN2)O)c3ccc(cc3)C#N	K9Z	(2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCO)ncnc2Nc3ccc4c(c3)ncs4	KA2	2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol
+c1cc(c(c(c1NS(=O)(=O)c2cc(cc(c2Cl)CO)Cl)F)C#Cc3cnc(nc3)N)F	KA4	n-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide
+COc1ccc(c(c1)CNc2ccc3c(c2Cl)c(nc(n3)N)N)OC	KA5	5-chloro-n~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine
+COc1c(cc(cn1)Cl)S(=O)(=O)Nc2ccc(c(c2F)C#Cc3cnc(nc3)N)F	KA7	n-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide
+c1cc(ccc1C[C@@H](CN)NC(=O)[C@@H]2C[C@@H](CN2)F)c3ccc(cc3)C#N	KA8	(2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N	KAA	5'-o-[(l-lysylamino)sulfonyl]adenosine
+C[C@H]1C[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C\C=C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@@H]([C@H]([C@H](C1)O)C)OC)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)\C=C\N(C)CO)OC)OC)O[C@H](N)O	KAB	kabiramide c
+c1ccc(cc1)C(=O)NCCCC(=O)O	KAC	4-(benzoylamino)butanoic acid
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCC([C@H](Cc2ccccc2)NC(=O)c3ccccc3)(O)O	KAF	n-{(5s)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-l-phenylalanine
+C[C@@H](CC=O)NC1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	KAG	2'-deoxy-n-[(1s)-1-methyl-3-oxopropyl]guanosine 5'-phosphate
+C[C@H]([C@@H](CCC(=O)O)O)N	KAH	5-amino-4-hydroxyhexanoic acid
+CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O	KAI	3-(carboxymethyl)-4-isopropenylproline
+c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)NC(=NC2=O)N	KAK	3'-deoxy-guanosine-5'-monophosphate
+C[C@@H](C/C=C/C=C\CCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O	KAL	kalimantacin
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)CCCCCC(=O)O)O	KAM	n-[7-keto-8-aminopelargonic acid]-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane]
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N	KAN	kanamycin a
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)c4cccnc4	KAO	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[4-(pyridin-3-yl)phenyl]urea
+C[C@@H](C(=O)CCCCCC(=O)O)N	KAP	7-keto-8-aminopelargonic acid
+CS[C@H]1C[C@H](NC1)C(=O)N[C@@H](Cc2ccc(cc2)c3ccc(cc3)C#N)CN	KAQ	(2~{s},4~{s})-~{n}-[(2~{s})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide
+CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@](C[C@]71C(=O)N(C(=O)O1)CCCl)(C=CC9)CC)C)C(=O)OC)O	KAR	3"-(beta-chloroethyl)-2",4"-dioxo-3, 5"-spiro-oxazolidino-4-deacetoxy-vinblastine
+B(Cn1cc(nn1)c2cccc(c2)C(=O)O)(O)OP(=O)(O)O	KAS	3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1h-1,2,3-triazol-4-yl)benzoic acid
+c1ccc(cc1)N2CCN(CC2)C(=O)n3ccnn3	KAT	(4-phenylpiperazin-1-yl)(1h-1,2,3-triazol-1-yl)methanone
+Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4cc(ncn4)NC(=O)C5CC5	KAV	n-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1h-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide
+c1ccc(cc1)C[C@@H](C(CCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)(O)O)NC(=O)c4ccccc4	KAW	n-{(5s)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-l-tryptophan
+Cc1ccc(c(c1)C(=O)O)C(=O)O	KAY	4-methylbenzene-1,2-dicarboxylic acid
+CN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)C(=O)Nc4ccccc4CC(=O)O	KAZ	2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
+Cc1cc(cc2c1CC(=C2c3ccccc3)c4ccc(cc4)O)O	KB0	2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1h-inden-5-ol
+c1cc(ccc1CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)F	KB1	5'-{[(3s)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino}-5'-deoxyadenosine
+CCCC[C@@H](C(=O)C)n1cc(nn1)[C@](C)(C(C)C)NCc2ccc3c(c2)cccn3	KB2	(3s)-3-(4-{(1s)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1h-1,2,3-triazol-1-yl)heptan-2-one
+COc1ccc2c(c1)NC(=O)CN2c3c4c(cccn4)nc(n3)Cl	KB4	4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+c1nc(c2c(n1)[nH]c(n2)S)N	KB5	6-azanyl-9~{h}-purine-8-thiol
+CCNC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O	KB7	5'-o-(ethylcarbamoyl)guanosine
+Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNCC3	KB8	6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCCn2ccnn2)O)O)O	KBA	2-(1h-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-l-galactopyranoside
+c1cc(c(cc1F)S(=O)(=O)N)F	KBB	2,5-bis(fluoranyl)benzenesulfonamide
+c1ccc(cc1)CNC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	KBD	5'-o-(benzylcarbamoyl)guanosine
+C(C[C@@H](CC(=O)O)N)CN	KBE	beta-lysine
+c1ccc2cc(c(cc2c1)C(=O)NC[C@H]3CCCO3)O	KBF	3-oxidanyl-~{n}-[[(2~{r})-oxolan-2-yl]methyl]naphthalene-2-carboxamide
+C([C@@H]1[C@H]([C@@H](C(=O)[C@@H](O1)O)O)O)O	KBG	beta-d-arabino-hexopyranos-2-ulose
+c1cc(ccc1c2ccc(cc2S(=O)(=O)F)C(=O)O)F	KBH	4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid
+c1c(cc(c(c1F)Nc2nc3cnc(nc3n2[C@H]4CCOC4)NC5CCC(CC5)O)F)F	KBI	trans-4-({9-[(3s)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9h-purin-2-yl}amino)cyclohexanol
+c1ccc(cc1)CCNC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	KBJ	5'-o-[(2-phenylethyl)carbamoyl]guanosine
+CN(C(=O)CO[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O	KBK	[(r)-{2-[hydroxy(methyl)amino]-2-oxoethoxy}(4-methoxyphenyl)methyl]phosphonic acid
+COc1ccc2c(c1)cc(o2)C(=O)c3ccc(cc3)Cl	KBM	(4-chlorophenyl)(5-methoxy-1-benzofuran-2-yl)methanone
+c1[nH]c2c(n1)c(nc(n2)C(F)(F)F)S	KBN	2-(trifluoromethyl)-9~{h}-purine-6-thiol
+CCCCCCC[C@H](CC(=O)SCCNC(=O)C)O	KBP	s-[2-(acetylamino)ethyl] (3r)-3-hydroxydecanethioate
+c1c[nH]c2c1C(=O)NC(=S)N2	KBQ	2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
+CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO	KBR	icaridin
+CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)O)Sc2ccc(cc2)OC	KBS	2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid
+CCCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C	KBT	3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
+CC(C)(C)c1ccc(cc1)C[C@H](CC(=O)O)N	KBV	(3r)-3-amino-4-(4-tert-butylphenyl)butanoic acid
+[C](=O)[Re]12(O3[Re]4(O1[Re]5(O2[Re]3(O45)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)([C]=O)[C]=O)([C]=O)[C]=O	KBW	re4(mu3-oh)4(co)12
+CC(C)N(C)S(=O)(=O)c1ccc(c(c1)C(=O)N[C@H](Cc2ccc(cc2)C(C)(C)C)CC(=O)NCC(=O)O)Sc3ccc(cc3)OC	KBY	n-[(3r)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine
+c1cc(ccc1C#N)S(=O)(=O)N	KBZ	4-cyanobenzenesulfonamide
+CCC\1=C(c2/cc\3/c(c(c4/n3[Mg]n5c(/cc1\n2)c(c6c5/c(c/7\nc(\c4)C(=C7/C=C/C(=O)O)C)/[C@H](C6=O)C(=O)OC)C)C)C=C)C	KC1	chlorophyll c1
+Cc1/c/2c/c3n/c(c/4\c5c(c(c/6n5[Mg]n2/c(/c1C=C)c\c7n/c(c6)/C(=C7C)C=C)C)C(=O)[C@@H]4C(=O)OC)/C(=C3C)/C=C/C(=O)O	KC2	chlorophyll c2
+CNC(=O)c1ccc(cc1)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F	KC4	n-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide
+COc1ccc(cc1)N/C=C\2/c3c(c4c(o3)cc(c(c4Cl)O)Cl)CCC2=O	KC5	(4~{z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
+c1cnc(cc1C(=O)NCCN)c2cc(ccn2)C(=O)O	KC6	4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid
+c1ccc(cc1)COc2cccc3c2c(ncn3)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO	KC7	(1r,2s,3r,5r)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol
+C[C@@]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3	KC8	2-[4-[(4~{s})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{h}-quinazolin-4-one
+CC(C)(C)[C@@H](C(=O)OC)NC(=O)c1c2ccccc2n(n1)Cc3ccc(cc3)F	KCA	methyl n-{1-[(4-fluorophenyl)methyl]-1h-indazole-3-carbonyl}-3-methyl-l-valinate
+CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(cc3nc2)OC(F)F)O	KCD	7-(difluoromethoxy)-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
+C[C@H](Cc1ccc(cc1)C(C)(C)C)[C@@H](c2nnnn2Cc3ccc4c(c3)OCO4)NN	KCE	[(1~{s},2~{r})-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]-3-(4-~{tert}-butylphenyl)-2-methyl-propyl]diazane
+c1cc(c(cc1N)c2cc(ccn2)C(=O)O)O	KCH	2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid
+c1c(ncs1)C[C@@H](C(=O)O)N	KCJ	3-(1,3-thiazol-4-yl)-l-alanine
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)N	KCM	n-[(4s,5s)-4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl]guanidine
+O=[W]123O[W]456(=O)O[Co]78O[W]9%10%11(=O)O77[Si@]%12%13O11[W]%14(=O)(O2)(O9)O[W]11(=O)(O3)O[W]23(=O)(O4%12[W]4(=O)(O5)(O2)O[W]7(=O)(O8)(O%10)O[W]25(=O)(O%11)O%137[W](=O)(O%14)(O1)(O2)O[W]7(=O)(O4)(O3)O5)O6	KCO	 co-substituted beta-keggin
+CC1=C(N[C@@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2cccs2)C(=O)O	KCP	2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methyl-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+CC(=O)[C@H](C[C@@H]1CCNC1=O)N	KCQ	(3s)-3-[(2s)-2-amino-3-oxobutyl]pyrrolidin-2-one
+C/C=C/C(=O)NCCCC[C@@H](C(=O)O)N	KCR	n-6-crotonyl-l-lysine
+C(=S)(S)S	KCS	carbonotrithioic acid
+c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)N[C@@H]4C(=O)O	KCT	(5s)-7-oxo-6,7,12,13-tetrahydro-5h-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid
+C(CCNC(=O)O)C[C@@H](C(=O)O)N	KCX	lysine nz-carboxylic acid
+C(CS)[C@H](C(=O)O)N	KCY	d-homocysteine
+C[C@@H](CNCCc1ccc(c(c1)O)O)c2ccccc2	KCZ	4-[2-[[(2~{r})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O	KD0	3-deoxy-8-o-phosphono-d-manno-oct-2-ulosonic acid
+C([C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O	KD5	4,7-anhydro-3-deoxy-d-manno-oct-2-ulosonic acid
+[H]/N=C(/N)\NCCC[C@@H]([C@@H](c1nc2ccccc2s1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cscn3)NC(=O)CCc4ccccc4	KD7	n-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-l-alanyl-n-[(1s,2s)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-l-valinamide
+Cc1c(nc2c(n1)C(=O)NC(=S)N2)C	KD8	6,7-dimethyl-2-sulfanylidene-1~{h}-pteridin-4-one
+C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C(=O)O	KDA	prop-2-en-1-yl 3-deoxy-alpha-d-manno-oct-2-ulopyranosidonic acid
+C1C=C[C@@](O[C@@H]1[C@@H](CO)O)(C(=O)O)O	KDB	3,4,5-trideoxy-alpha-d-erythro-oct-3-en-2-ulopyranosonic acid
+C1[C@H](OC(=CC1O)C(=O)O)[C@@H](CO)O	KDD	2,6-anhydro-3,5-dideoxy-d-ribo-oct-2-enonic acid
+C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@H](CO)O)O)O)C(=O)O	KDE	prop-2-en-1-yl 3-deoxy-beta-l-gulo-oct-2-ulopyranosidonic acid
+C1[C@@H]([C@H](O[C@]1(C(=O)O)O)CO)O	KDF	3-deoxy-alpha-d-erythro-hex-2-ulofuranosonic acid
+C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O	KDG	2-keto-3-deoxygluconate
+c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O	KDH	(2r,3r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCCOC)N	KDI	3-amino-n-(3-methoxypropyl)-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}pyrazine-2-carboxamide
+[C@H]1([C@H](C([C@H]([C@@H](C1NC(=O)C(F)(F)P(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	KDJ	(1,1-difluoro-2-oxo-2-{[(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid
+[H]/N=C(/c1cc(c(s1)CC2CCNCC2)c3ccccc3)\N	KDK	4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide
+CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC	KDL	(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-[(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{r},3~{s},4~{r},5~{r},6~{r})-3-oxidanyl-5-[[(3~{r})-3-oxidanyltetradecanoyl]amino]-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O	KDM	deamino-alpha-neuraminic acid
+C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O	KDN	deamino-beta-neuraminic acid
+C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O	KDO	3-deoxy-alpha-d-manno-oct-2-ulopyranosonic acid
+C([C@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O	KDP	2-keto-deoxy-galactose
+c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CO)Cl	KDQ	(2~{s})-~{n}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide
+C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C=O	KDR	prop-2-en-1-yl 3-deoxy-alpha-d-manno-octos-2-ulopyranoside
+c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F	KDS	4-[(quinolin-3-yl)methyl]-n-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
+CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)N)S(=O)(=O)c3ccccc3	KDT	n-(6-amino-1-(4-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+c1ccc2c(c1)cc(cn2)C#N	KDV	quinoline-3-carbonitrile
+Cc1cc(c(cc1OCc2cccc(c2C)c3cccc(c3C)COc4cc(c(cc4C)CNCCNC(=O)C)OCc5cc(cnc5)C#N)OCc6cc(cnc6)C#N)CNCCNC(=O)C	KDW	~{n}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide
+c1cc(c2cc[nH]c2c1)CCN	KDY	2-(1h-indol-4-yl)ethan-1-amine
+[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O	KDZ	(3~{r})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid
+C[C@@H]1[C@@H](NC(=C1S[C@@H]2C[C@@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O	KE1	meropenem, bound form
+Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	KE2	(3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)CN)O	KE4	(4r)-5-amino-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
+Cc1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O	KE5	(3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
+C[C@H](C(F)(F)F)Oc1cc(ccc1Nc2nc3c(c(c[nH]3)Cl)c(n2)OC4CCC(CC4)(C)O)C(=O)N(C)C	KE7	4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7h-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-n,n-dimethyl-3-{[(2r)-1,1,1-trifluoropropan-2-yl]oxy}benzamide
+CC1(c2c(cc(s2)c3ccnc(n3)Nc4ccnn4C)C(=O)N1CCN5CCOCC5)C	KE8	6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
+C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)/C=C/C(=O)O)F	KE9	(e)-3-(3,5-difluoro-4-((1r,3r)-2-(2-fluoro-2- methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1h-pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=[N-]	KEA	2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate)
+Cc1cc(cc(c1O)C)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	KEB	(3~{s},6~{s})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
+c1ccc2c(c1)C(=CC(=O)N2)CP(=O)(O)O	KED	[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
+c1ccc(cc1)[C@@H]2[C@H]([C@@H]2C(=O)NO)c3ccc(cc3)c4cnco4	KEE	(1r,2r,3r)-2-[4-(1,3-oxazol-5-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide
+CON=C(c1ccco1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O	KEF	cefuroxime (oct-3-ene form)
+O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%12%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)(O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[W]1(=O)(O6)(O5)O%12	KEG	12-tungstophosphate
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)I)O)O	KEH	(3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
+Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cnn4c3nccc4	KEJ	n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CCc1ccccc1Cl	KEK	(3e,5r)-8-(2-chlorophenyl)-5-methyl-2,6-dioxooct-3-enoate
+C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO	KEL	n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-alanine
+C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CC[C@@H]1[C@H]2CC[C@@H]([C@]2(CCC1=O)C)O	KEM	(3e,5r)-8-[(1s,3ar,4r,7as)-1-hydroxy-7a-methyl-5-oxooctahydro-1h-inden-4-yl]-5-methyl-2,6-dioxooct-3-enoate
+CN(C)C	KEN	n,n-dimethylmethanamine
+C(C[C@@H](CC(=O)NCC[C@@H](C[C@@H](C(=O)O)N)O)N)CN	KEO	e(r)-beta-lysyl-hydroxylysine
+Cn1cc(c(n1)c2cc(ccc2OC(F)F)Cl)NC(=O)c3cnn4c3nccc4	KEP	n-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1h-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+COc1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	KEQ	(3~{s},6~{s})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
+c1cnc2c(cnn2c1)C(=O)Nc3cn[nH]c3c4cc(ccc4OC(F)F)Cl	KES	n-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1h-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C=NC(CC(=O)O)C(=O)O)O	KET	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethylene)-amino]-succinic acid
+c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	KEU	n-{4-[(1r)-4-[(2r,4r,5s)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]benzoyl}-d-glutamic acid
+Cn1cc2cncc(c2n1)C(=O)Nc3cn(nc3c4cc(ccc4OC)Cl)C	KEV	n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]-2-methyl-2h-pyrazolo[4,3-c]pyridine-7-carboxamide
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)Cl)O)O	KEW	(3~{s},6~{s})-3-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
+Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cncc4c3[nH]nc4	KEY	n-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1h-pyrazol-4-yl]-1h-pyrazolo[4,3-c]pyridine-7-carboxamide
+C#Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O	KEZ	3-acetylene dicyclotyrosine
+COc1cc2ccccc2cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5	KF1	n-[5-(3-methoxynaphthalen-2-yl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)C=O	KF2	[(1~{r})-1-azanyl-3-phenyl-propyl]-[(2~{s})-2-methanoyl-4-methyl-pentyl]phosphinic acid
+COc1cc2c(cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5)cn[nH]2	KF4	n-[5-(6-methoxy-1h-indazol-5-yl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@@H]3CCCCO3)N	KF5	9-[(2~{s})-oxan-2-yl]purin-6-amine
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@H](Cc4ccccc4)P(=O)(O)O	KF7	[(1s)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O	KFA	[(1r)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
+C(CCN)CC(=O)O	KFB	5-aminovaleric acid
+c1cc(nc(c1)C(=O)Nc2cc3c(cc2N4CCCCC4)oc(n3)N5CCOCC5)c6cc7cc[nH]c7nc6	KFD	n-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1h-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
+C1C2CC3CC1CC(C2)(C3)COCCCCCNC(=O)[C@@H]4[C@H]([C@H]([C@H](N4)CO)O)O	KFE	(2~{s},3~{r},4~{s},5~{r})-~{n}-[5-(1-adamantylmethoxy)pentyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidine-2-carboxamide
+COP(=O)(O)OC	KFG	dimethyl hydrogen phosphate
+c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	KFH	2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
+c1cc(ccc1C[C@H]([C@@H](C(=O)O)N)O)[N+](=O)[O-]	KFJ	4-(4-nitrophenyl)-l-threonine
+Cc1c(c(n(n1)C)C)CCOc2c(ccc(c2F)F)c3ccc4c(c3)c(nn4C)CN(C)C	KFK	1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{n},~{n}-dimethyl-methanamine
+C1=C(O[C@H]([C@@H]([C@H]1O)O)[C@@H]([C@@H](CO)O)O)C(=O)O	KFN	2,6-anhydro-3-deoxy-d-glycero-d-galacto-non-2-enonic acid
+c1c(nc2c(n1)N=C(NC2=O)N)CNCCCC[C@H](C(=O)O)N	KFP	n~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-d-lysine
+c1ccc-2c(c1)NC(=O)c3n2c(nn3)S	KFQ	1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5h)-one
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)O	KFS	[4-(4-cyano-3-methylphenoxy)phenyl]acetic acid
+CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O	KFT	(2~{s},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-~{n}-pentyl-pyrrolidine-2-carboxamide
+CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	KFV	[1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
+C1C[C@H]([C@@H](NC1)CO)O	KFW	(2~{s},3~{r})-2-(hydroxymethyl)piperidin-3-ol
+C/C=C/Cn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC	KFY	9-[(2e)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9h-purin-6-amine
+CCc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O	KFZ	2-{[(2,5-dichlorophenyl)methyl]sulfanyl}-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O	KG1	propadienyl 6-deoxy-alpha-l-galactopyranoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)O)O)O)N	KG4	5'-o-[(r)-(carboxyoxy)(hydroxy)phosphoryl]adenosine
+c1cc(ccc1COCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)c3ccc4c(c3)OCCCO4	KG5	(2~{r},3~{r},4~{r},5~{s})-1-[5-[[4-(3,4-dihydro-2~{h}-1,5-benzodioxepin-7-yl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
+C/C(=N\O)/C(=O)O	KG7	(2e)-2-(hydroxyimino)propanoic acid
+c1ccc(cc1)CCCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O	KG8	(5~{r},6~{r},7~{s},8~{s})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
+CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	KGA	[1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
+c1ccc(cc1)COCCN2CC([C@H]([C@H]([C@@H]2CO)O)O)O	KGB	(2~{s},3~{s},4~{r})-2-(hydroxymethyl)-1-(2-phenylmethoxyethyl)piperidine-3,4,5-triol
+C1C[C@@](OC1=O)(C(=O)O)NCCCC[C@@H](C(=O)O)N	KGC	n~6~-[(2r)-2-carboxy-5-oxotetrahydrofuran-2-yl]-l-lysine
+CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C	KGD	beta,psi-caroten-4-one
+C1C=C[C@H]([C@@H](N1)CO)O	KGE	(2~{s},3~{r})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
+COc1ccc(cc1)[C@]2(C[C@H](C(=N2)N)OC)c3cccc(c3)c4cccnc4	KGG	(3r,5r)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine
+C([C@H]1[C@@H]([C@H]([C@H]([C@H]([C@@H]1O)O)O)O)N)O	KGH	(1~{r},2~{s},3~{r},4~{r},5~{s},6~{r})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	KGJ	[1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
+Cc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	KGK	2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide
+CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	KGM	heptyl alpha-d-mannopyranoside
+C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	KGN	d-chiro inositol hexakisphosphate
+C[C@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	KGP	(2r)-sulfonatepropionyl-amino(dethia)-coa
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC	KGQ	diethyl ({4-[(2s,3r)-2-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}butyl]phenoxy}methyl)phosphonate
+C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-]	KGR	5-keto-4-deoxyglucarate
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)C(=O)O	KGT	n-(4-carboxy-4-oxobutanoyl)-l-cysteinylglycine
+CCN1c2cc(c(cc2N(C(=O)C1=O)CC)N3CCCCC3)NC(=O)CN4CCN(CC4)C	KGU	~{n}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide
+c1ccc(cc1)C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N	KGV	3'-deoxy-3'-(d-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)
+CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCOCC4	KGW	2-(4-(2-methoxy-4-morpholinophenylamino)-1,3,5-triazin-2-ylamino)-n-methylbenzamide
+CC#CCOc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)c3c(noc3C)C)C(=O)NO	KGY	4-({[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}methyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-n-hydroxypiperidine-4-carboxamide
+c1cc(ccc1CN2CC[C@]([C@@H](C2)F)(CC#N)n3cc(c(n3)NC(=O)C4CC4)C(=O)N)C5=CCCCC5	KGZ	1-[(3~{r},4~{r})-4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoranyl-piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
+CCC(CC)(CCCO[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O	KH1	5-(2-{1-[1-(4-ethyl-4-hydroxy-hexyloxy)-ethyl]-7a-methyl-octahydro-inden-4-ylidene}-ethylidene)-4-methylene-cyclohexane-1,3-diol
+C[N+]1(CCCCC1)CCCS(=O)(=O)[O-]	KH2	3-(1-methylpiperidinium-1-yl)propane-1-sulfonate
+CCCCCCNCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KH3	5'-{[(3s)-3-amino-3-carboxypropyl][2-(hexylamino)ethyl]amino}-5'-deoxyadenosine
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1c[nH]cn1)O	KH4	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1h-imidazole-4-carbothioate
+c1ccc(cc1)c2ccc(cc2)CN3CCC(CC3)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N	KH5	1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
+c1ccc(cc1)c2ccc(cc2O)CN3CCC(CC3)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N	KH8	1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
+C[N+]1(CCCCC1)Cc2ccc(cc2)C(=O)NCCO	KHA	1-(4-{[(2-hydroxyethyl)amino]carbonyl}benzyl)-1-methylpiperidinium
+C[C@@H](CC(=O)NCCCC[C@@H](C(=O)O)N)O	KHB	n~6~-[(3s)-3-hydroxybutanoyl]-l-lysine
+Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@H]3C#N)CCNCC4	KHC	(4~{s})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile
+CCC(=O)Nc1cccc(c1)Oc2ccnc(c2c3ccc(cc3)Oc4ccccc4)N	KHD	n-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)propanamide
+c1ccc(cc1)c2ccc(cc2)CN3CC[C@]([C@@H](C3)F)(CC#N)n4cc(c(n4)NC(=O)C5CC5)C(=O)N	KHE	1-[(3~{r},4~{r})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide
+C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5	KHG	(1s,3r,5r,7s)-n-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+COC(=O)Nc1c(cn(n1)[C@]2(CCN(C[C@H]2F)Cc3cc(c(cc3F)C=C)O)CC#N)C(=O)N	KHH	methyl ~{n}-[4-aminocarbonyl-1-[(3~{r},4~{r})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate
+C[n+]1ccc(cc1)c2cc[n+](cc2)C	KHJ	1,1'-dimethyl-4,4'-bipyridin-1-ium
+c1cc2c(cc1N(=O)=O)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81)C=CC=C36	KHK	ruthenium (bis-(phenanthroline)) (11-nitro-dipyridophenazine)
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O	KHM	(1r,2s)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
+c1cc2c(c(c1)[N+](=O)[OH-])nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=C1C(=CC=C9)C=CC2=CC=C[N]7=C21)[N]1=C2C(=CC=C1)C=CC1=CC=C[N]8=C12	KHN	ruthenium (bis-(phenanthroline)) (10-nitro-dipyridophenazine)
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O	KHP	4-nitrophenyl alpha-l-arabinofuranoside
+C[C@H](c1ccnc(c1)Nc2[nH]c3ccc(cc3n2)c4cnn(c4)CC5CC5)N6CCN(CC6)C(=O)CC(F)(F)F	KHQ	1-[4-[(1~{r})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{h}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one
+CC(C)(C(=O)NCCSc1ccccc1Cl)S(=O)(=O)c2ccc(cn2)C(F)(F)F	KHS	n-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
+c1cc2c(cc1C(=O)NCC3=CC3)nc([nH]2)Nc4cc(ccn4)CN5CCN(CC5)C(=O)CC(F)(F)F	KHT	~{n}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{h}-benzimidazole-5-carboxamide
+CCC[C@H](c1nnnn1Cc2ccccc2)NN	KHW	[(1~{r})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane
+Cc1ncc(n1C)[C@](c2ccc3c(c2)c(c(c(n3)OC)CN4CCC(CC4)C(F)(F)F)Cl)(c5ccnc(c5)C(F)(F)F)O	KHY	(s)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1h-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol
+C(c1[nH]nnn1)NN	KHZ	1~{h}-1,2,3,4-tetrazol-5-ylmethyldiazane
+c1cc(c(cc1C2(CCN(CC2)C(=O)CCS)O)C(F)(F)F)Cl	KI1	1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one
+c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)NC(=O)OCc2ccccc2	KI2	3-benzyloxycarbonylamino-2-hydroxy-4-phenyl-butyric acid
+Cc1cc(nc2c1c(c(s2)C(=O)c3ccccc3)N)O	KI3	3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol
+Cc1cc(nc(n1)SCCO)C	KI5	2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol
+c1c(cc(c2c1c3c([nH]2)c(c(c(c3Cl)Cl)Cl)O)Cl)Cl	KI9	2,3,4,6,8-pentachloro-9h-carbazol-1-ol
+COC1=CC(=O)C=C(C1=O)OC	KIA	2,6-dimethoxycyclohexa-2,5-diene-1,4-dione
+COc1cc(cc(c1O)OC)O	KIB	2,6-dimethoxybenzene-1,4-diol
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O	KIF	kifunensine
+c1cc(cc(c1)Oc2cc(cc(c2O)O)C(=O)O)[N+](=O)[O-]	KIJ	3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid
+C=CC(=O)[C@H](CO)N	KIK	(4~{s})-4-azanyl-5-oxidanyl-pent-1-en-3-one
+Cc1c2ccc(cc2[nH]n1)N(C)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC	KIM	n~4~-methyl-n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
+c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Oc3ccncc3)C(F)(F)F	KIN	1-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
+c1c(c(cc(c1F)F)F)[C@H]2CC=C(C[C@@H]2N)C(=O)N3CCn4c(nnc4C(F)(F)F)C3	KIQ	(1s,6r)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl]carbonyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-amine
+CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CNC2=O)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O	KIR	kirromycin
+c1cc(cc(c1)[N+](=O)[O-])COc2cc(cc(c2)C(=O)O)C(=O)O	KIU	5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid
+CC(C)C(=O)C(=O)O	KIV	3-methyl-2-oxobutanoic acid
+c1cc(cc(c1)[N+](=O)[O-])CNc2cc(cc(c2)C(=O)O)C(=O)O	KIW	5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid
+CCCCCCCCC(=O)NCCCCCCCC(=O)N	KJ1	n-(8-amino-8-oxooctyl)nonanamide
+c1cc(ccc1c2cn[nH]c2c3cc(c(cc3O)O)Cl)OCCCN	KJ2	4-{4-[4-(3-aminopropoxy)phenyl]-1h-pyrazol-5-yl}-6-chlorobenzene-1,3-diol
+[H]/N=C\1/N(C[C@@H](N1CCCC2CCCCC2)CCCN/C(=N/[H])/N)CCN(C)CCn3ccnc3N	KJ4	n-{3-[(2z,4s)-1-(2-{[2-(2-amino-1h-imidazol-1-yl)ethyl](methyl)amino}ethyl)-3-(3-cyclohexylpropyl)-2-iminoimidazolidin-4-yl]propyl}guanidine
+CCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	KJ5	4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
+c1ccc(cc1)C[C@H]2CN=C(N2)N	KJ7	(5s)-5-benzyl-4,5-dihydro-1h-imidazol-2-amine
+CN(C)CCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	KJ8	n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]-n~3~,n~3~-dimethyl-beta-alaninamide
+	KJB	3,3,3-tris(fluoranyl)-1-[4-[(1~{r})-1-[2-[[(2~{s})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{h}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one
+c1cc(ccc1c2cc(c(nc2)N)c3cc(c(c(c3)F)O)F)S(=O)(=O)N	KJD	4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide
+CCC1=C[C@H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC	KJE	18-carboxymethoxy-cleaviminium
+c1ccc(cc1)C2=C(C(=O)C(=C(C2=O)O)c3ccccc3)O	KJG	2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione
+C=C1c2ccccc2C=CC1=O	KJH	1-methylidenenaphthalen-2-one
+Cc1c(cc(c2c1CCCO2)F)c3c4c(nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)CCN(C4)C[C@H]5C[C@H]5c6ccccc6	KJJ	(2~{s})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{h}-chromen-6-yl)-2-methyl-6-[[(1~{s},2~{r})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{h}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
+B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O	KJK	(3~{r})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
+C[C@H]1/C=C/C=C(/[C@H]([C@H]([C@@H](/C=C/C(=C\C(=C/[C@@H]([C@@H](/C=C(/C/C=C(/C(=O)O[C@@H]1c2csc(n2)[C@H](CC(C)C)OC(=O)NC)\C)\C)O)C)\C)/C)O)C)OC)\C	KJL	archazolid a
+[H]/N=C(\C1(CCC1)c2cccc(c2)Cl)/N	KJM	1-(3-chlorophenyl)cyclobutane-1-carboximidamide
+Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(C[C@H]4C)c5cn(c6c5cc(cc6)C(=O)O)C)c7c(nn(c7C)C)C)Cl	KJP	3-[(4r)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1h-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1h)-yl]-1-methyl-1h-indole-5-carboxylic acid
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	KJQ	(2s)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
+CC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	KJR	n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide
+CCCOc1ccc(cc1)CCc2nc3cc(ccc3n2CCN4CCOCC4)c5c(noc5C)C	KJS	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1h-benzimidazole
+CC[N+](=C1CCC2CC(C(=O)CC2C1)C(NCCOCCOCCN(C[C@@H]3CCCN(C3)Cc4ccccc4)S(=O)(=O)c5ccc6ccccc6c5)O)CC	KJT	diethyl-[6-[[2-[2-[2-[naphthalen-2-ylsulfonyl-[[(3~{r})-1-(phenylmethyl)piperidin-3-yl]methyl]amino]ethoxy]ethoxy]ethylamino]-oxidanyl-methyl]-7-oxidanylidene-1,3,4,4~{a},5,6,8,8~{a}-octahydronaphthalen-2-ylidene]azanium
+c1cc2c(cc1Cl)NC(=O)CO2	KJU	6-chloro-2h-1,4-benzoxazin-3(4h)-one
+CN(C)CCCC(=O)Nc1cccc(c1)c2c3c(ncnc3oc2c4ccccc4)N[C@H](CO)c5ccccc5	KJV	4-(dimethylamino)-n-[3-(4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide
+CC(C)[C@@H]([C@H](C(=O)O)N)O	KJW	(d)3-hydroxy-leucine
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C	KJX	(2s,4as,4bs,7r,8s,8as,9r,10ar)-7-[(2r,3r)-7-hydroxy-3,7-dimethyloctan-2-yl]-4a,7,8-trimethyltetradecahydrophenanthrene-2,9-diol
+Cc1cc(c(c(c1C=O)O)C)O	KJY	2,4-dihydroxy-3,6-dimethylbenzaldehyde
+c1ccc2c(c1)cccc2/C=N/N(CC(=O)O)C(=O)CCC(=O)Nc3ccccc3Cl	KJZ	[(2e)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid
+CCCCCCCCNc1cc(nc(n1)N)c2ccc(cc2)OC	KK1	6-(4-methoxyphenyl)-n~4~-octylpyrimidine-2,4-diamine
+c1cc(ccc1c2cc(nc(n2)N)N3CCOCC3)C(F)(F)F	KK2	4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
+CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F	KK3	4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
+CCCc1nc2c(cccc2n1Cc3ccc\4c(c3)COc5ccccc5/C4=C(\C)/C6=NOC(=O)N6)C	KK4	3-[(1e)-1-{8-[(4-methyl-2-propyl-1h-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6h)-ylidene}ethyl]-1,2,4-oxadiazol-5(4h)-one
+O=[W]1234O[Zn]56O[W]78(=O)(O1)O2[P@@]91=O2%10=[W]%11%12(=O[W]22%13(=O)O[W]%10(=O)(O7)(O%11)O[W]7%10(=O)(O8)O98[W]9(=O)(O5)(O7)O[W]57(=O)(O6)O11[W](=O)(O3)(O5)(O%12)O[W]1(=O)(O7)(O2)O[W]8(=O)(O9)(O%13)O%10)(=O)O4	KK5	zn-substituted alpha-keggin
+COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5N(C4=O)c6ccc(c(c6)C#N)F	KK6	5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4h-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile
+Cn1cnnc1c2cccc(c2)NC(=O)c3ccccn3	KK7	n-[3-(4-methyl-4h-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
+c1cc(cc(c1)NC(=O)c2cc(ccn2)c3cccnc3)c4nncn4C5CC5	KK8	n-[3-(4-cyclopropyl-4h-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
+CCC(=O)Nc1ccc(c(c1)Oc2ccc(cc2)Cl)C	KK9	n-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide
+C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CCS)C(=O)O	KKA	(2s)-2-azanyl-6-oxidanylidene-6-[[(2s)-1-oxidanyl-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]hexanoic acid
+CC(=O)N[C@@H](CC(=O)O)C(=O)O	KKD	n-acetyl-l-aspartic acid
+[B+]1(c2cc(ccc2CO1)NC(=S)Nc3ccccc3)(O)O	KKE	1-[1,1-bis(oxidanyl)-3~{h}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea
+c1cc(ccc1/C=C/C(=O)N2CCC3(CC2)CN(C(=O)O3)Cc4ccc(c(c4)Cl)Cl)Cl	KKF	8-[(2e)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
+c1ccc2c(c1)C(=O)N(C=N2)CC(=O)O	KKG	(4-oxoquinazolin-3(4h)-yl)acetic acid
+B1(c2cc(ccc2CO1)NC(=O)Nc3ccccc3)(O)O	KKH	1-[1,1-bis(oxidanyl)-3~{h}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea
+CCCCCC[C@@H]([C@@H](CCCCCC)O)C(=O)O	KKJ	(2s,3r)-2-hexyl-3-hydroxynonanoic acid
+CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl	KKK	1-acetyl-4-(4-{[(2r,4s)-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
+C#Cc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)N	KKL	4-amino-n-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
+C[C@@H](CO)NC(=O)c1cnn2c1nc(cc2O)c3ccccc3	KKM	7-hydroxy-n-[(2s)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC1=C2C=COC=C2OC1=O	KKN	3-methyl-2h-furo[2,3-c]pyran-2-one
+CNC(=O)c1cnn2c1nc(cc2O)c3ccccc3	KKP	7-hydroxy-n-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(c(c1)C(=O)N2CCN(CC2)Cc3c(nc4n3cccc4)c5ccc(cc5)Br)F	KKQ	[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
+CC(=CC(=O)CCC(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6)C	KKR	1-[4-[[2-(1h-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione
+c1ccc2c(c1)cccc2CC3=C(NC(=O)C(=C3)O)c4ccc(cc4)c5[nH]nnn5	KKS	3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1h-tetrazol-5-yl)phenyl]pyridin-2(1h)-one
+CCCCS(=O)(=O)N(C)C1=C(N(C(=O)NC1=O)Cc2ccccc2)N	KKT	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbutane-1-sulfonamide
+c1cc(ccc1C2=C(NC(=O)C(=C2)O)c3ccc(cc3)F)C(=O)O	KKV	4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3C	KKY	6-[2-(3-fluoro-5-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+c1ccn2c(c1)nc(c2CN3CCN(CC3)C(=O)c4cccc(n4)OC(F)(F)F)c5ccc(cc5)Cl	KKZ	[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C	KL1	6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[V](O4)(O)(O)O)N	KL2	adenosine-2',3'-vanadate
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3	KL4	6-[2-(3-fluoro-5-{2-[(2s)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+[B-]1(c2cc(ccc2CO1)NC(=S)NCc3ccccc3)(O)O	KL5	1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea
+Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F	KL7	6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine
+[B-]1([C@@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O	KL8	(3~{s})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F	KLA	6-[2-(3-fluoro-5-{2-[(2r,4s)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+[H]/N=C(\c1cc(c(s1)c2cnc[nH]2)c3ccccc3)/N	KLB	5-(1~{h}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F	KLD	6-[2-(3-fluoro-5-{2-[(2r,4s)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+[H]/N=C(\c1ccc(s1)c2ccccc2)/N	KLE	5-phenylthiophene-2-carboximidamide
+c1ccc(cc1)CCS(=O)(=O)NCC(=O)NO	KLG	n-hydroxy-n~2~-[(2-phenylethyl)sulfonyl]glycinamide
+c1ccc(cc1)CCS(=O)(=O)N2CCC[C@@H]2C(=O)NO	KLH	n-hydroxy-1-[(2-phenylethyl)sulfonyl]-d-prolinamide
+CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4F)C(F)(F)F)c5nc(on5)Cc6ccccc6	KLI	3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1h)-one
+COc1ccc(cc1)CCS(=O)(=O)NCC(=O)NO	KLJ	n-hydroxy-n~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide
+Cc1c2c(c([nH]1)C(=O)NC)CCCCC2=O	KLK	~{n},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=O)N3)c4ccc5c(c4)CCC5)O	KLM	8-(2,3-dihydro-1h-inden-5-yl)-2-({4-[(2s)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione
+CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl	KLN	1-acetyl-4-(4-{[(2s,4r)-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
+Cc1cccc(c1CNC2=C3C=C4C=C(C(=CC4=C3N=N2)OC)NS(=O)(=O)C)C	KLP	n-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide
+c1c(cc(c(c1F)CNC(=O)C2=CN3C[C@@H]4N([C@H]5CC[C@H](C5)O4)C(=O)C3=C(C2=O)O)F)F	KLQ	bictegravir
+CNC(=O)NC(=N)Nc1ccccc1	KLS	1-methyl-3-(n-phenylcarbamimidoyl)urea
+c1ccc2c(c1)C(=O)N[C@@]2(c3ccc(c(c3)S(=O)(=O)N)Cl)O	KLT	2-chloro-5-[(1s)-1-hydroxy-3-oxo-2h-isoindol-1-yl]benzenesulfonamide
+CC1=CC(=O)Oc2c1ccc(c2)OP(=O)(O)O	KLV	4-methylumbelliferyl phosphate
+c1ccc(c(c1)C(=O)N)C(=O)O	KLW	2-carbamoylbenzoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC	KLY	6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
+[H]/N=C(\c1cc2c(s1)cc(cc2Cl)CS)/N	KLZ	4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
+c1ccc(cc1)COc2ccc(c3c2nccc3)Cl	KM0	8-(benzyloxy)-5-chloroquinoline
+c1cc(cc(c1)Cl)COc2ccc(c3c2nccc3)Cl	KM1	5-chloro-8-[(3-chlorobenzyl)oxy]quinoline
+[H]/N=C(\c1cc2cccc(c2s1)N[C@@H](C)CN)/N	KM2	7-[[(2~{s})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide
+c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	KM3	{n-(4-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}butyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
+CCN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC	KM5	methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCN(C)C	KM7	6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
+[H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)CC)/N	KM8	~{n}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3	KMA	6-[2-(3-fluoro-5-{2-[(2r)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+c1ccc(cc1)SCc2cc(cc3c2N=C(NC3=O)N)CN	KMB	2-amino-6-aminomethyl-8-phenylsulfanylmethyl-3h-quinazolin-4-one
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3C	KMD	6-[2-(3-fluoro-5-{2-[(2r)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+C/C=C/O[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)OC)O)O)C(=O)O	KME	(1e)-prop-1-en-1-yl 3-deoxy-7-o-methyl-alpha-d-manno-oct-2-ulopyranosidonic acid
+CCCCS(=O)(=O)Nc1ccc2c(c1)c([nH]n2)C	KMG	n-(3-methyl-2h-indazol-5-yl)butane-1-sulfonamide
+C[C@@H](CC(=O)CC(=O)O)N	KMH	(5s)-5-amino-3-oxo-hexanoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C)F	KMJ	6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine
+COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(CCCO)Cc3cnc4c(n3)c(nc(n4)N)N	KMK	methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate
+Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F	KMM	6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)C#C)C#CCOc3ccccc3	KMN	2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol
+c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O	KMP	3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one
+C/C=C/CO[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	KMQ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{s})-4-[(~{e})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C	KMS	6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
+CSCCC(=O)C(=O)O	KMT	4-(methylsulfanyl)-2-oxobutanoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C#CCNC	KMV	6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
+c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N	KMW	3-(4-aminocarbonylphenoxy)benzamide
+c1ccc2c(c1)c(c(s2)C(=O)NO)Cl	KMY	3-chlorobenzothiophene-2-carbohydroxamic acid
+c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O	KN0	4-[1-benzyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O	KN1	4-[1-allyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+c1cc2c(cc1O)[nH]nc2c3ccc(cc3O)O	KN2	4-(6-hydroxy-1h-indazol-3-yl)benzene-1,3-diol
+CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C	KN3	4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1,3-diol
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@@H]3CCCN3C	KN4	6-[2-(2,3-difluoro-5-{2-[(2r)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC	KN9	n-[2-[[[3-(4'-chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-n-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide
+CCCCCCCCC(=O)O	KNA	nonanoic acid
+CS(=O)(=O)C[C@@H](C(=O)O)N	KNB	3-(methylsulfonyl)-l-alanine
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N	KNC	kanamycin c
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3COCCN3C	KND	6-[2-(2,3-difluoro-5-{2-[(3s)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C\CC[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)O[C@H]5C[C@H]6[C@@H]([C@H](O5)C)OCO6)C)OC(=O)C)C)O)C)O)[C@H](C)OC(=O)C(C)(C)CC(=O)O)/C)O)O	KNG	kanglemycin a
+CCC[C@H]1C(=O)NC[C@H](C[C@@H]([C@@H](CC/C(=C/C=C\[C@@H](CCCC(=O)CCCC[C@H](C[C@@H](C(=O)O1)C)C)CC)/COC)O)O)O	KNH	myxovirescin a
+CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O	KNI	(4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-s-methyl-l-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
+Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)NCC(=C)C)(C)C)O)C)N	KNJ	(4r)-3-[(2s,3s)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-n-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide
+c1cc(c(c(c1)Cl)OCC(=O)O)Cl	KNL	(2,6-dichlorophenoxy)acetic acid
+CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(C1)CC(C3)C2	KNM	ada-(ahx)3-(leu)3-vinyl sulfone
+Cc1ccccc1CN	KNN	1-(2-methylphenyl)methanamine
+c1cc(c(c(c1)F)OCC(=O)O)F	KNP	(2,6-difluorophenoxy)acetic acid
+CCO[C@@H]1C[C@@H](N(C1)C)CCc2cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C	KNS	6-[2-(5-{2-[(2s,4r)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine
+c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3OC(=CC4=O)c5[nH]nnn5	KNT	pranlukast
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C	KNV	6-[2-(2,3-difluoro-5-{2-[(2s)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+c1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3)OCCCCc4cc(ccc4Cl)F	KNW	(2~{s})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid
+c1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3F)OCCCCOc4cccc(c4F)F	KNZ	(2~{s})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
+C([C@H]([C@@H]1[C@@H]([C@@H]([C@@H]([C@@](O1)(C(=O)O)O)O)O)O)O)O	KO1	d-glycero-alpha-d-talo-oct-2-ulopyranosonic acid
+C=CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)O)C(=O)O	KO2	prop-2-en-1-yl d-glycero-alpha-d-talo-oct-2-ulopyranosidonic acid
+[OH2][K]([OH2])([OH2])[OH2]	KO4	potassium ion, 4 waters coordinated
+Cc1ccc(cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3O[C@@H](CN4CCCC(=O)O)C(=O)O)F	KO5	(2~{s})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid
+c1cc(ccc1NC(=S)NNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])F	KOB	2-(2,4-dinitrophenyl)-n-(4-fluorophenyl)hydrazinecarbothioamide
+c1cc(cc(c1)Br)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	KOE	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+c1cc(c(cc1c2[nH]ccn2)Cl)OCCC(=O)O	KOH	3-[2-chloranyl-4-(1~{h}-imidazol-2-yl)phenoxy]propanoic acid
+C1=C(OC=C(C1=O)O)CO	KOJ	5-hydroxy-2-(hydroxymethyl)-4h-pyran-4-one
+c1ccc2c(c1)CCN2C(=O)n3ccnn3	KOK	(2,3-dihydro-1h-indol-1-yl)(1h-1,2,3-triazol-1-yl)methanone
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O	KOL	(4r,5s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid
+c1ccc(cc1)C2=CC(=O)Oc3c2ccc(c3O)O	KOM	7,8-dihydroxy-4-phenyl-2h-chromen-2-one
+c1cc(cc(c1)I)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	KON	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+COP(=O)(O)O	KOP	methyl dihydrogen phosphate
+c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O)F	KOQ	(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
+C(CSN[S@](=O)C[C@@H](C(=O)O)N)[C@@H](C(=O)O)N	KOR	l-homocysteine-s-n-s-l-cysteine
+C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)\C)OC)OC(=O)N)/C)C)O)OC	KOS	17-desmethoxy-17-n,n-dimethylaminoethylamino-geldanamycin
+c1ccc(cc1)c2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KOT	1-beta-d-glucopyranosyl-4-phenyl-1h-1,2,3-triazole
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)C(=O)O)O	KOU	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-serine
+CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O	KOV	(6r,7r)-3-[(carbamoyloxy)methyl]-7-{[(2z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O	KOW	(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
+c1ccc(c(c1)C(=O)CCc2cccc(c2)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)O	KOY	5'-o-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine
+c1cc(cc(c1)Cl)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	KOZ	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CC(C)(CC(C)(C)O)O	KP1	2,4-dimethylpentane-2,4-diol
+c1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N	KP2	5-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+Cc1c2c(c(c(c1OC)C/C=C(\C)/Cn3cc(nn3)COC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)C(=O)OC2	KP3	5'-o-({1-[(2e)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1h-1,2,3-triazol-4-yl}methyl)adenosine
+c1ccc(c(c1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O)F	KP5	(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
+Cc1c(c(n(n1)C)C)CCO	KP6	2-(1,3,5-trimethyl-1h-pyrazol-4-yl)ethanol
+c1ccc(cc1)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O	KP8	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+C(CC(=O)C(=O)O)CP(=O)(O)O	KPA	2-oxo-5-phosphonopentanoic acid
+c1cc(cc(c1)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)F	KPB	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
+CC(=O)CSCCS(=O)(=O)O	KPC	(2-[2-ketopropylthio]ethanesulfonate
+C(CC/N=C(\CF)/C(=O)O)C[C@@H](C(=O)O)N	KPF	n-(1-carboxy-2-fluoro-ethenyl) lysine
+C(C(=O)[C@H]([C@@H]([C@@H](C(O)O)O)O)O)OP(=O)(O)O	KPG	[(3s,4r,5s)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate
+C(CCN)C[C@H](N)P(=O)(O)O	KPH	[(1r)-1,5-diaminopentyl]phosphonic acid
+C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	KPI	(2s)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCCN3C	KPJ	6-[2-(2,3-difluoro-5-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
+Cc1cccc2c1c(cs2)Cn3c4ccccc4nc3SCCCC(=O)O	KPK	4-({1-[(4-methyl-1-benzothiophen-3-yl)methyl]-1h-benzimidazol-2-yl}sulfanyl)butanoic acid
+CC(C)(CO)C(=O)C(=O)O	KPL	ketopantoate
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@H]3[C@H](O2)CO[C@](O3)(C)C(=O)O)O)NC(=O)C)O	KPM	2-(acetylamino)-4-o-{2-(acetylamino)-4,6-o-[(1s)-1-carboxyethylidene]-2-deoxy-beta-d-mannopyranosyl}-2-deoxy-beta-d-glucopyranose
+c1ccnc(c1)c2ccc(cn2)CC(=O)N(CCN)CC(=O)O	KPN	n-(2-aminoethyl)-n-(2,2'-bipyridin-5-ylacetyl)glycine
+C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F	KPQ	1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide
+C[C@@H](C(=O)/C=C/OP(=O)(O)O)N	KPR	[(~{e},4~{s})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate
+C1=C(C(=O)NC(=O)N1)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	KPS	pseudouridine 5'-phosphate, linear
+c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2	KPT	6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium
+c1ccc(cc1)CCCC(=O)C(=O)O	KPV	5-phenyl-2-keto-valeric acid
+Cc1cccc(n1)c2c(c3n(n2)CC(C3)(C)C)c4ccnc(c4)Nc5ccc(cc5)S(=O)(=O)N	KPW	4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide
+C/C(=N\CCSC[C@@H](C(=O)O)N)/C(=O)O	KPY	(2r)-2-azanyl-3-[2-[(e)-(1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]ethylsulfanyl]propanoic acid
+Cc1ccc(cc1NC(=O)c2ccc(nc2)NCC[C@@H]3CCC[N@]3C)NC(=O)c4ccnc(c4)N5CCOCC5	KQ7	n-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide
+C[C@@H]1[C@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	KQ8	(2~{r},3~{r})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{s},5~{s})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{h}-pyrrole-5-carboxylic acid
+[O][Mg](F)(F)F	KQB	trifluoromagnesate monohydrate
+c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)[C@@H]3CN(C[C@H]3C(=O)N[C@H]4C[C@@H]4c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7C[C@H]([C@@H](C7)C(=O)N[C@H]8C[C@@H]8c9ccccc9)C(=O)N[C@H]1C[C@@H]1c1ccccc1	KQD	(3s,4s,3's,4's)-1,1'-(1,4-phenylenedicarbonyl)bis{n~3~,n~4~-bis[(1s,2r)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de}
+c1cc(cc(c1)OC(F)(F)F)c2cnc3n2nc(cc3)c4ccncc4	KQE	6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine
+CN(C)c1nccc(n1)c2cnn3c2cccn3	KQK	~{n},~{n}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+[H]/N=C(/C1(CCC1)c2cc(cc(c2)Cl)c3ccc(cc3)C(C)(C)O)\N	KQP	1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide
+CC1(CCN(c2c1cc(c(c2)Nc3nc4c(cc[nH]4)c(n3)Nc5ccsc5C(=O)N)OC)C(=O)CN(C)C)C	KQQ	3-[(2-{[1-(n,n-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide
+C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F	KQS	(3s)-3-(2-fluorophenyl)-n-((2-oxo-2,3-dihydro-1h-benzo[d]imidazol-5-yl)methyl)butanamide)
+COc1ccc2c(c1OC)c[n+]3c(c2CCCc4ccncc4)-c5cc6c(cc5CC3)OCO6	KQT	berberine
+CC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(c5ccccc5)c6ccccc6	KQV	[(2-{[(5s,8s,10ar)-3-acetyl-8-({(2s)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1h-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
+CN(c1nccc(n1)c2cnn3c2cccn3)C4CC4	KQW	~{n}-cyclopropyl-~{n}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+C(CCC(=O)N)CCN	KQY	6-aminohexanamide
+CN(C)c1nccc(n1)c2c[nH]c3c2cccn3	KQZ	~{n},~{n}-dimethyl-4-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
+[Kr]	KR	krypton
+CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC	KR0	3-decanoyloxypropyl decanoate
+Cc1cc(cc(c1)C(=O)C2=C(C(=O)NC(=O)N2Cc3cc(nc(c3)F)N)C(C)C)C#N	KR1	3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile
+c1ccc(cc1)C(=O)N2CCCCCN2C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N	KR2	(2r)-4-(2-benzoyl-1,2-diazepan-1-yl)-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine
+CCc1nc(nc(n1)Nc2ccc(cc2)CCO)c3cccc(c3)Cl	KR4	2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
+Cc1cc(n(n1)C(=O)CCNc2ccc(cc2)S(=O)(=O)N)C	KR5	4-{[3-(3,5-dimethyl-1h-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide
+c1cc(cc(c1)Cl)c2cc(cc(n2)C(F)(F)F)Cc3ccc(cc3)CC(=O)O	KR7	(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid
+CN(c1ccccc1)c2nccc(n2)c3cnn4c3cccn4	KR8	~{n}-methyl-~{n}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+c1ccc(cc1)CC(=O)C(=O)Cc2ccc(cc2)O	KRA	kurasoin a
+c1ccc(cc1)CC(=O)C(=O)Cc2c[nH]c3c2cccc3	KRB	kurasoin b
+CCc1ccc2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC	KRC	(9as)-8-acetyl-n-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
+CCc1nc(nc(n1)Nc2ccc(cc2)CC(=O)N)c3cccc(c3)Cl	KRD	2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide
+COc1cc(cc(c1)NS(=O)(=O)C)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4	KRE	~{n}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide
+CCOc1cc(cc(c1)C(=O)O)c2c(noc2C)C	KRG	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid
+CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5cncn5C)C(=O)N(C1=O)C	KRH	5-methyl-3-(1-methyl-1h-imidazol-5-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-2h-pyrazolo[3,4-d]pyrimidine-4,6(5h,7h)-dione
+C(CSC[C@H]([C@H](C(=O)CO)O)O)[C@@H](C(=O)O)N	KRI	(s)-2-amino-4-[(2s,3r)-2,3,5-trihydroxy-4-oxo-pentyl]mercapto-butyric acid
+c1cc(c(cc1C2CCNCC2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N	KRJ	4-cyano-n-(2-cyclohex-1-en-1-yl-4-piperidin-4-ylphenyl)-1h-imidazole-2-carboxamide
+c1cc2c(cnn2nc1)c3ccnc(n3)N4CC[C@@H](C4)F	KRK	3-[2-[(3~{s})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
+CN1CCN(CC1)c2ccc(c(c2)N3CCCCC3)NC(=O)c4ccc(o4)C#N	KRL	5-cyano-n-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
+c1ccc(cc1)Oc2ccc(cc2)c3cc(n[nH]3)N4CCOCC4	KRM	4-[5-(4-phenoxyphenyl)-1h-pyrazol-3-yl]morpholine
+Cc1cc(ccc1F)CCC2=C(NC(=O)NC2=O)C(=O)O	KRO	5-[2-(4-fluoro-3-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C	KRP	3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile
+CNc1nccc(n1)c2cnn3c2cccn3	KRQ	~{n}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+C[C@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O	KRS	cladosporin
+B(c1cccc(c1)/C=C/C(=O)O)(O)O	KRT	(~{e})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid
+CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C	KRV	3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
+c1cc2cc(ccc2nc1)Cn3c4c(ncc(n4)c5cnn(c5)CCO)nn3	KRW	2-{4-[1-(quinolin-6-ylmethyl)-1h-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]-1h-pyrazol-1-yl}ethanol
+COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F	KRX	6-(3-methoxyphenyl)-n-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
+c1cc(ccc1N2C=CN(C2=O)c3ccc(cc3F)F)S(=O)(=O)N	KRY	4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]benzene-1-sulfonamide
+c1cc(ccc1C(=O)NCCC(=O)N[C@@H](CCNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)I	KRZ	(2~{s})-2-[[(3~{s})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid
+c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N	KS1	1-cyclopentyl-3-(1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KS2	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
+c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	KS3	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{h}-1,2,4-triazol-5-yl)oxane-3,4,5-triol
+COc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC4)N	KS4	1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N	KS5	1-(1-methylethyl)-3-quinolin-6-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1cc(ccn1)N2CCC3(CC2)CN(CCN3C)c4nc(no4)c5cc(cc(c5)OC)OC	KS7	4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane
+c1ccc(cc1)CCCCP(=O)(CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3)O	KS8	fosinoprilat
+C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O	KSA	k-252a
+c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N	KSB	lambda-[ru(tap2-dppz-cn]2+
+Cc1cc(n2c(n1)c(c(n2)Nc3ccc(cc3)OC)C(=O)N)NCC4CC4	KSC	7-[(cyclopropylmethyl)amino]-2-[(4-methoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CN[C@H](C)C(=O)O)OC	KSD	n-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-d-alanine
+Cc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)NCC(C)(C)N	KSE	7-[(2-amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(cc1)c2cnc(c3n2cnc3)Nc4ccccc4Cl	KSF	n-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
+[H]/N=C(/C(=O)O)\N[C@H]1C[C@@H]([C@H](O[C@@H]1C)OC2[C@H]([C@H](C([C@@H]([C@H]2O)O)O)O)O)N	KSG	(1s,2r,3s,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-{[carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-d-arabino-hexopyranoside
+CCc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)N4CCC[C@@H]4CO	KSH	2-[(3,5-dimethoxyphenyl)amino]-5-ethyl-7-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(c(c1)C(=O)[C@@H]2CCC[C@H]2CC(=O)O)O	KSJ	[(1s,2r)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid
+CC(C)(CNc1cc(nc2n1nc(c2C(=O)N)Nc3cc(cc(c3)OC)OC)C4CC4)N	KSK	7-[(2-amino-2-methylpropyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1cccc(c1Nc2c3cncn3c(cn2)c4ccccc4)C	KSL	n-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
+Cc1cccc(c1Nc2c3cncn3c4cc(ccc4n2)N5CCN[C@H](C5)C)Cl	KSM	n-(2-chloro-6-methylphenyl)-8-[(3s)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine
+C(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C(=O)O)N	KSN	(2~{s})-2-[[(4~{s})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
+c1ccc(c(c1)C(=O)[C@H]2CCC[C@@H]2CC(=O)O)O	KSP	[(1r,2s)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid
+Cn1cc(c2c1ccc(c2)OC)c3cc4c([nH]3)nccn4	KSR	6-(5-methoxy-1-methyl-1h-indol-3-yl)-5h-pyrrolo[2,3-b]pyrazine
+CCSc1nc(cc2n1ccn2)c3ccc(c(c3)OC)OC	KSS	7-(3,4-dimethoxyphenyl)-5-(ethylsulfanyl)imidazo[1,2-c]pyrimidine
+c1c(csc1C(=O)O)NCCCC[C@@H](C(=O)O)N	KST	n~6~-(5-carboxy-3-thienyl)-l-lysine
+CCOP(=O)(O)OC[C@@H](CO)O	KSV	(2r)-2,3-dihydroxypropyl ethyl hydrogen (s)-phosphate
+CC1=CC=CC1=O	KSW	2-methylcyclopenta-2,4-dien-1-one
+c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O	KSY	4-{[3-(3-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)NCCCNC(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC	KSZ	~{tert}-butyl ~{n}-[3-[2-[(4~{s})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{h}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate
+COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O	KT1	4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O	KT2	2-azanyl-9-[(1~{r},6~{r},8~{r},9~{r},10~{s},15~{r},17~{r},18~{r})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{h}-purin-6-one
+c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	KT3	n-{4-4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)-but-2-yl-benzoyl}-gamma-glutamyl-gamma-glutamyl-glutamic acid
+c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O	KT4	4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	KT5	n-{4-4-(2,4-diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)-but-2-yl-benzoyl}-gamma-glutamyl-gamma-glutamyl-gamma-glutamyl-gamma-glutamyl-glutamic acid
+c1cc2c(cc1O)C(=O)NC2=O	KT7	5-hydroxy-1h-isoindole-1,3(2h)-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)F)N	KT8	2'3'-cyclic-gmp-2'f-2'damp
+C1C[C@@H](CC(=O)C1)CC(=O)O	KTA	(s)-cyclohexanone-2-acetate
+C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O	KTB	neugc gm3
+CCCCCCCCC(=O)CCCCCCCCC(=O)O	KTC	10-oxooctadecanoic acid
+c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3	KTD	1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@H]([C@H](CO)O)O)O)O)O	KTE	(2~{s},3~{r})-4-[(2~{r},3~{s},4~{s},5~{r})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol
+c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O	KTG	4-{[3-(4-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+c1csc(n1)C=O	KTH	2-ketothiazole
+c1cc(ccc1c2c[nH]nc2N)O	KTJ	4-(3-amino-1h-pyrazol-4-yl)phenol
+c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3O)O)O	KTK	4-[3-amino-4-(4-hydroxyphenyl)-1h-pyrazol-5-yl]benzene-1,3-diol
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O	KTL	(1s,2r,3r,4s)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
+c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O	KTM	4-{[(2-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione
+CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl	KTN	cis-1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine
+c1ccc2c(c1)[C@]([C@H](N2)O)(C[C@@H](C=O)N)ON3[C@@H]4CCC[C@H]3CC(=O)C4	KTO	(2~{s})-2-azanyl-3-[(2~{r},3~{s})-2-oxidanyl-3-[[(1~{s},5~{r})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanal
+c1ccc2cc(ccc2c1)C(=O)[C@@H](c3cccc4c3cccc4)P(=O)(O)O	KTP	(2-naphthalen-2-yl-1-naphthalen-1-yl-2-oxo-ethyl)-phosphonic acid
+COc1ccc(cc1)CCNc2c(nc3n2cccc3)c4ccc(cc4)[N+](=O)[O-]	KTQ	~{n}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
+c1ccc(cc1)C(=O)c2ccc3n2CC[C@H]3C(=O)O	KTR	(1r)-5-benzoyl-2,3-dihydro-1h-pyrrolizine-1-carboxylic acid
+C=CCO[C@@]1(C[C@H](C=C(O1)[C@@H](CO)O)O)C(=O)O	KTU	prop-2-en-1-yl 3,5-dideoxy-alpha-d-threo-oct-5-en-2-ulopyranosidonic acid
+c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O	KTV	4-{[(3-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione
+[H]/N=C(\c1cc2c(s1)cccc2Cl)/N	KTW	4-chloranyl-1-benzothiophene-2-carboximidamide
+CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4	KTZ	n4,n4-dimethyl-5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cncc4Cl)Cl)O	KU0	2-[(2s)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide
+c1ccc2c(c1)C(=O)C(=NN2)C(=O)NCC(=O)O	KU1	n-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine
+c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O	KU2	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide
+CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F	KU3	(5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone
+c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CCc4ccccc4Cl)O	KU4	2-{(2s)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O	KU5	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-n-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4F)O	KU7	2-{(2s)-1-[(2-fluorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-n-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide
+c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCCNCC4)F	KU8	4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2h)-one
+c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O	KU9	2-[(2s)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-n-(2,3-dihydro-1h-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide
+c1ccc2c(c1)nc(o2)c3ccc(cc3)C(=O)N4CCN(CC4)C(=O)C5(CC5)O	KUA	{4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone
+C[C@@H](c1cc(ccc1F)F)Nc2cc(c(cc2Cl)S(=O)(=O)Nc3cscn3)F	KUB	4-[[(1~{s})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{n}-(1,3-thiazol-4-yl)benzenesulfonamide
+c1ccc(cc1)C(=O)[C@@H]2CCC[C@H]2CC(=O)O	KUD	[(1s,2r)-2-(benzenecarbonyl)cyclopentyl]acetic acid
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCCC4	KUE	~{n}-[5-(azocan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+Cc1ccc2c(c1)C(=O)NC=C2	KUF	7-methyl-2h-isoquinolin-1-one
+c1ccc(cc1)C(=O)[C@H]2CCC[C@@H]2CC(=O)O	KUG	[(1r,2s)-2-(benzenecarbonyl)cyclopentyl]acetic acid
+CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)OC	KUH	~{n}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+C[C@@H]1CCC[C@H]2[C@H]1[C@@H](/C(=C\3/C(=O)COC3=O)/O[C@@H]2/C(=C/[C@H](C)CC[C@@H](/C=C/[C@H](C)[C@H]4[C@H](C[C@@H](O4)[C@H](C)OC)C)O)/CO)C	KUJ	(3e)-3-{(1s,4s,4as,5r,8as)-1-[(2e,4r,7s,8e,10s)-1,7-dihydroxy-10-{(2r,3s,5r)-5-[(1s)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3h-2-benzopyran-3-ylidene}oxolane-2,4-dione
+c1cc(ncc1NC(=O)NC2C(=NC(=NC2=O)N)N)C(=O)N[C@@H](CCc3[nH]nnn3)C(=O)O	KUK	(2~{s})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{h}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{h}-1,2,3,4-tetrazol-5-yl)butanoic acid
+COc1cc(cc(c1OC)OC)C(=O)c2cnc([nH]2)c3c[nH]c4c3cccc4	KUM	[2-(1h-indol-3-yl)-1h-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
+c1c(cnc(c1F)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O)NC(=O)CC2C(=NC(=NC2=O)N)N	KUN	(~{e},4~{s})-4-[[5-[2-[2,4-bis(azanyl)-6-oxidanylidene-5~{h}-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]car bonylamino]pent-2-enedioic acid
+COc1ccc(cc1OC)Cc2cnc(nc2N)N	KUP	5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
+c1ccc(cc1)c2[nH]cc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KUQ	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-phenyl-1~{h}-imidazol-4-yl)oxane-3,4,5-triol
+C(CCCCCCCCC(=O)O)CCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(=O)O	KUT	kut [2-(2-[2-(2-[2-(octadecandioyl-gamma-glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]
+Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CC[C@H]([C@@H](CC4)F)N	KUV	5-amino-n-{5-[(4r,5r)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1h-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
+CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(cc(cn4)CC(=O)O)Cl	KUW	2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid
+Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CCC[C@@H](CC4)N	KUY	5-amino-n-{5-[(4s)-4-aminoazepan-1-yl]-1-methyl-1h-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
+CCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC	KV1	n-((3r,5s)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1h-pyrazole-5-carboxamide
+c1cc(ccc1CNCCCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)c5ccc(cc5)Cl	KV4	5'-s-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine
+c1ccc2cc(ccc2c1)c3[nH]cc(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	KV5	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{h}-imidazol-4-yl)oxane-3,4,5-triol
+c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCOCC6	KV9	7-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]-n-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
+c1ccc(cc1)Cc2cnc3c(c2c4cccc(c4)OCc5ccc(cc5)CC(=O)O)cccc3C(F)(F)F	KVB	2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(n4cc(ccc4n3)C#N)-c5cnc(c(n5)O1)N)C)F	KVC	(5r)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile
+c1ccc(cc1)C#Cc2cc(cnc2)C(=O)O	KVD	5-(phenylethynyl)pyridine-3-carboxylic acid
+c1ccc2cc(ccc2c1)c3csc(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	KVE	(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol
+c1ccc2cc(ccc2c1)c3nc(cs3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	KVH	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol
+[H]/N=C(/N)\NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC(=O)[C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C	KVI	(2s)-2-{[(2r,5s)-5-{[(2s,3s)-2-{[(2s,3r)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-n~1~-[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide
+CC(C)N1C(C(=C(S1(=O)=O)c2ccccc2)NCCCCc3cccc(n3)S(=O)(=O)N)O	KVK	6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{h}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide
+C1[C@@H](C(=O)N(C1=O)O)P(=O)(O)O	KVM	[(3s)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid
+c1ccc(cc1)c2nnn(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KVN	(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol
+C[N+](C)(C)C[C@H](O)P(=O)(O)O	KVP	(2r)-2-hydroxy-n,n,n-trimethyl-2-phosphonoethan-1-aminium
+c1ccc(cc1)c2nc(cs2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KVQ	(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC([C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C)(O)O	KVS	n~2~-[(2r,5s)-5-({(2s,3s)-2-[(n-acetyl-l-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-l-glutaminyl-l-argininamide
+Cc1ccc(cc1S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C	KVT	~{n}-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
+C[N+](C)(C)CCP(=O)(O)O	KVV	n,n,n-trimethyl-2-phosphonoethan-1-aminium
+c1ccc(cc1)c2csc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	KVW	(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol
+CNC(=O)CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)N	KVY	4-amino-1-methyl-n-{1-methyl-5-[(1-methyl-5-{[3-(methylamino)-3-oxopropyl]carbamoyl}-1h-pyrrol-3-yl)carbamoyl]-1h-pyrrol-3-yl}-1h-pyrrole-2-carboxamide
+CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CN2C(=O)[C@]3(CCCc4c3cccc4)NC2=O	KVZ	2-[(4~{r})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{h}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{n}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide
+Cc1c(c(no1)NC(=O)CSCC(=O)O)Br	KW1	({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid
+C[C@H]1CCCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)CNC3=O	KW5	2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{n}-[4-bromanyl-3-[(3~{s})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide
+COC(=O)c1c(c(c[nH]1)c2ccccc2F)N	KW7	methyl 3-amino-4-(2-fluorophenyl)-1h-pyrrole-2-carboxylate
+CC[C@H]1c2c(c3ccccc3[nH]2)CCN1	KW8	(1~{s})-1-ethyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+CNCc1ccc(o1)c2cc(cc(c2)Cl)Cl	KWA	1-[5-(3,5-dichlorophenyl)furan-2-yl]-n-methylmethanamine
+c1cc(c(cc1C2CCCCC2)C(=O)[O-])O	KWB	5-cyclohexyl-2-hydroxybenzoate
+c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl	KWD	2-cyano-~{n}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide
+c1ccc(cc1)CCCCNC2=C(C(=O)N(C2=O)Cc3ccccc3)Cc4ccccc4	KWE	3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione
+c1ccc(cc1)C#Cc2cccc(c2n3cccc3)C(=O)O	KWG	3-(phenylethynyl)-2-(1h-pyrrol-1-yl)benzoic acid
+CCC[C@H]1c2c(c3ccccc3[nH]2)CCN1	KWH	(1~{s})-1-propyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3ccc4c(c3)NNC4=O)CC#C	KWJ	(7r)-7-methyl-2-[(3-oxo-2,3-dihydro-1h-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+CC(C)CCNCCc1c[nH]c2c1cccc2	KWK	~{n}-[2-(1~{h}-indol-3-yl)ethyl]-3-methyl-butan-1-amine
+Cc1cc2c(cc1C)N(CNC(=O)NC(=O)C[C@H](C[C@H](N2)O)c3ccccc3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	KWM	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{s})-5-[(9~{s},11~{r})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
+C[C@@H]1CC[C@@H]([C@@H]([C@H]1C(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cc4F)F)F)C	KWN	(1~{s},2~{s},3~{s},6~{r})-2-[[2-[5,7-bis(fluoranyl)-1~{h}-indol-3-yl]-5-fluoranyl-pyrimidin-4-yl]amino]-3,6-dimethyl-cyclohexane-1-carboxylic acid
+c1cc(c(cc1N2C[C@@H](C(=N2)NC(=O)c3ccncc3)CCO)Cl)Cl	KWP	~{n}-[(4~{s})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
+CC(C)C[C@H]1c2c(c3ccccc3[nH]2)CCN1	KWQ	(1~{s})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+C[C@H]([C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N)O	KWS	{2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@@]4(c5c(coc5C3=O)C(=O)O[C@@H]4COC)C)C	KWT	(1s,6br,9as,11r,11br)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo[4, 3,2-de]indeno[4,5-h][2]benzopyran-11-yl acetate
+CC(=O)NC1=NN(CC1)c2ccc(c(c2)Cl)Cl	KWV	~{n}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide
+c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCN	KWW	1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{n}-(phenylmethyl)pyrazole-4-carboxamide
+CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4	KWY	4-tert-butyl-n-(1,3-diphenyl-1h-pyrazol-5-yl)benzamide
+c1cc(cc(c1)C(F)(F)F)c2cc(nc(n2)C#N)CCCN3CCCCC3	KWZ	4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
+c1c(nc(nc1C2CCCCCC2)C#N)CCCN3CCCCC3	KX1	4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile
+C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN3CCCC3)/C)OC)OC(=O)N)\C)C)O)OC	KX2	(4e,6z,8s,9s,10e,12s,13r,14s,16r)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-{[2-(pyrrolidin-1-yl)ethyl]amino}-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
+c1ccc(cc1)CCNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O	KX5	3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid
+c1ccc(c(c1)N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-])O	KX7	icilin
+c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCCC(=O)O	KX8	4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid
+Cc1c(c(c2c(n1)C(=O)N(C2)c3ccccc3OC)c4ccc(cc4Cl)Cl)CN	KXA	3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7h-pyrrolo[3,4-b]pyridin-7-one
+Cc1c(c(c2c(n1)C(=O)N(C2)CCOC)c3ccc(cc3Cl)Cl)CN	KXB	3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7h-pyrrolo[3,4-b]pyridin-7-one
+c1ccc(cc1)CNC(=O)c2cn(nc2c3ccc(c(c3)Cl)Cl)CCC(=O)O	KXE	3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OCC4[C@H]([C@H]([C@H](O4)S)O)O)O)O)N	KXG	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate
+CCOC(=O)c1cn(nc1c2ccc(c(c2)Cl)Cl)CCCCN	KXH	ethyl 1-(4-azanylbutyl)-3-(3,4-dichlorophenyl)pyrazole-4-carboxylate
+CCCCCCCCCCCCCC(=S)NCCCC[C@@H](C(=O)Nc1ccccc1)NC(=O)CCOCCO	KXJ	n~2~-[3-(2-hydroxyethoxy)propanoyl]-n-phenyl-n~6~-tetradecanethioyl-l-lysinamide
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCCC4)CCCCC2=O	KXK	~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3N2CCc4ccccc4)C[C@H]([C@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O	KXM	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3r,4r)-5-[(4ar)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
+c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O	KXN	(2r,3s)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol
+c1cc(cc(c1)F)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F	KXO	6-(3-fluorophenyl)-n-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC	KXP	(2s)-1-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate
+c1cc2cc[nH]c2c(c1)C(=O)O	KXQ	1~{h}-indole-7-carboxylic acid
+C[C@@H]1CC[C@H]([C@@H](C1)C(=O)Nc2ccc(cc2)OC)C(C)C	KXS	(1r,2s,5r)-n-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide
+c1ccc(cc1)c2ccc3nc(cn3c2)c4ccccc4	KXT	2,6-diphenylimidazo[1,2-a]pyridine
+Cc1cc(nc(n1)SCc2cc(no2)C(=O)NCc3ccnc(c3)C)C	KXU	5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-n-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide
+COc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O	KXV	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}ac etic acid
+c1ccnc(c1)NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	KXW	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid
+c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)O	KXZ	3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid
+c1ccc(c(c1)C(=O)CCC(=O)O)N	KY1	4-(2-aminophenyl)-4-oxobutanoic acid
+[H]/N=C(\N)/NCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KY2	1-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine
+CO[C@H]1C[C@@H]([C@H](C[C@H]1c2cccs2)C(=O)O)OC	KY3	(1s,2s,4s,5r)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid
+c1cc(c(c(c1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)F)F)O	KY4	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1ccnc(c1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	KY5	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@@H](CS)N)CC(=O)O)[N+](=O)[O-])O	KY7	{(4z)-2-[(1s)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cnc(nc1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	KY8	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
+c1ccc2c(c1)c(cc(n2)C(=O)O)O	KYA	4-hydroxyquinoline-2-carboxylic acid
+[H]/N=C(/N)\NCCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KYB	1-[5-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine
+Cc1c(c(n[nH]1)C)C(=O)O	KYD	3,5-dimethyl-1h-pyrazole-4-carboxylic acid
+[H]/N=C(/N)\NCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KYE	(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid
+C([C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O)O	KYG	(1r,2r,3s,4r,5r,6s)-4-{[(s)-[(2s)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-3,5,6-trihydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)]
+[H]/N=C(\N)/NCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	KYH	1-[4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine
+c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3ccc(cc3)/C=C\4/C(=O)c5cccc(c5O4)C(=O)N	KYJ	(2z)-2-[(4-{[2-(1h-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
+c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O	KYK	n6-benzyl-(alpha,beta)-methylene-adp
+c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)C(=O)N4CCn5c(nnc5C6CC6)C4)/C2=O	KYM	(2z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8h)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
+c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N	KYN	(2s)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
+c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(cc3)C(=O)N4CCN(CC4)c5ncccn5)O	KYP	3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide
+C(CC/N=C(\CO)/C(=O)O)C[C@@H](C(=O)O)N	KYQ	(e)-n~6~-(1-carboxy-2-hydroxyethylidene)-l-lysine
+c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)[N@@]4CCN[Ru]456789([CH]1=[CH]5[CH]6=[CH]7[CH]8=[CH]91)Cl	KYS	n-(4-{[(2-aminoethyl)amino]sulfonyl}phenyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide-(1,2,3,4,5,6-eta)-benzene-chloro-ruthenium(iii)
+CC1=[CH]2C=C3([Ru+]24([CH]1=C3)([NH2][C@@H]5CN(C[C@H]5[NH2]4)C(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)Cl)C(C)C	KYT	(3as,4s,6ar)-4-(5-((3r,4r)-3,4-diaminopyrrolidin-1-yl)-5-oxopentyl)tetrahydro-1h-thieno[3,4-d]imidazol-2(3h)-one-p-cymene-chloro-ruthenium(iii)
+c1ccc2c(c1)[nH]c(n2)N3CCN(CC3)C(=O)c4ccc(cc4)Cc5c(c6cccc(c6o5)C(=O)N)O	KYV	2-({4-[4-(1h-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide
+CN(Cc1ccccc1)c2c3c(nc(n2)Cl)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O	KYW	(n6,n6)-methyl,benzyl-c2-chloro-(alpha,beta)-methylene-adp
+c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(c(c3)F)c4[nH]nnn4)O	KYY	2-{[3-fluoro-4-(1h-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide
+CNS(=O)(=O)c1ccc(c(c1)NC(=O)CC2=NNC(=O)c3c2cccc3)OC	KYZ	~{n}-[2-methoxy-5-(methylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+c1c(c(c(c(c1F)O)F)F)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O	KZ1	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+c1cc2ccsc2c(c1)C(=O)O	KZ2	1-benzothiophene-7-carboxylic acid
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)Br)O	KZ4	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CN(C)[C@@H](Cc1c[nH]c(n1)S(=O)(=O)O)C(=O)O	KZ5	(2~{s})-2-(dimethylamino)-3-(2-sulfo-1~{h}-imidazol-4-yl)propanoic acid
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)Cl)O	KZ7	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)Nc4ccccc4	KZ8	~{n}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+c1cc(cc(c1)O)[C@H]2C3=C(CCCC3=O)NC(=S)N2	KZ9	(s)-4-(3-hydroxyphenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6h)-one
+C[C@H]1CC[C@]2([C@@H]([C@@H]3[C@@H](O2)[C@@H]([C@H]4[C@]3(CC[C@@H]5[C@@H]4CC[C@H]6[C@]5(C[C@@H]([C@H](C6)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O)O)C)C)O)C)OC1	KZB	(2~{s},3~{r},4~{r},5~{s},6~{s})-2-(hydroxymethyl)-6-[(1~{s},2~{r},3~{r},4~{r},5'~{s},6~{s},7~{r},8~{s},9~{r},12~{r},13~{r},15~{s},16~{s},18~{r})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol
+C[C@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CCC=C(C)C)CCOP(=O)(O)O	KZE	[(3~{r},6~{z},10~{z},14~{z},18~{z})-3,7,11,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaenyl] dihydrogen phosphate
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)I)O	KZG	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}aceti c acid
+CCC=CCC(=O)C=CC=CCCCCCCCC(=O)O	KZH	(13-oxo-9(z),11(e),15(z)-octadecatrienoic acid)
+COc1cc(cc(c1)OC)Nc2c(ncc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N	KZI	5-{[(1r,2s)-2-aminocyclohexyl]amino}-3-[(3,5-dimethoxyphenyl)amino]pyrazine-2-carboxamide
+CNc1cc(nn2c1ncc2C(=O)NC3CC3)NC4=CC=CN(C4=O)c5ccc(cc5)C#N	KZJ	6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-n-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
+COc1ccc(cc1NC(=O)Cc2c[nH]c3c2cccc3)S(=O)(=O)N4CCCCCC4	KZK	~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1~{h}-indol-3-yl)ethanamide
+CC(C)(CN)Nc1nc(c(c2n1cnn2)C(=O)N)Nc3cc(cc(c3)OC)OC	KZL	5-[(2-amino-1,1-dimethylethyl)amino]-7-[(3,5-dimethoxyphenyl)amino][1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide
+COc1cc(cc(c1)OC)Nc2c(c3nc(nn3c(n2)N[C@@H]4CCCC[C@@H]4N)c5cccc(c5)O)C(=O)N	KZM	5-{[(1r,2s)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5C4	KZN	~{n}-[5-(3,4-dihydro-1~{h}-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+CCn1c2c(c(n1)C#Cc3c(ccc4c3ccnc4Nc5ccc(cc5)Cl)C)c(ncn2)N	KZP	5-[(4-amino-1-ethyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-n-(4-chlorophenyl)-6-methylisoquinolin-1-amine
+CC1=C([C@@H](NC(=O)N1)c2ccc(cc2)F)C(=O)Nc3ccc4c(c3)c[nH]n4	KZQ	(4s)-4-(4-fluorophenyl)-n-(2h-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
+CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)COCC	KZS	n~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1h-pyrazol-4-yl}methyl)-n~1~,n~2~-dimethylethane-1,2-diamine
+COc1ccc(cc1NC(=O)Cc2ccnc3c2cccc3)S(=O)(=O)N4CCCCCC4	KZT	~{n}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinolin-4-yl-ethanamide
+c1cc(c(cc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)F)O	KZV	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}ace tic acid
+Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O	KZY	{(4z)-2-[(1r)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCN)C(=O)NCc5cccc6c5cccc6)C3	KZZ	1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{n}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridine-3-carboxamide
+C[C@H]1C[C@@H]1CN(CCOC)c2cc(c(c(n2)[N@](C)S(=O)(=O)C)Cl)c3nnc(o3)[C@@](C)(Cc4ccccc4)N	L00	(2r)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1s,2s)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine
+CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNCc3cccc(c3)OC)O	L01	3-[({(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}amino)(hydroxy)methyl]-n,n-dipropylbenzamide
+c1cc(ccc1c2cc([nH]n2)C3CCNCC3)Cl	L02	4-[3-(4-chlorophenyl)-1h-pyrazol-5-yl]piperidine
+CSc1[nH]c(nn1)c2ccc(cc2)Cl	L03	3-(4-chlorophenyl)-5-(methylthio)-4h-1,2,4-triazole
+CC(C)C[C@@H](C(=O)Nc1ccccc1)NC(=O)[C@H](CCc2ccc(cc2)c3ccc(cc3)F)C[C@H](CCCCN4Cc5ccccc5C4=O)C(=O)O	L04	6-(4'-fluoro-biphenyl-4-yl)-4-(3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-2-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-butyl]-hexanoic acid
+COc1ccc(cc1)NC2=C(C(=O)N(C2=O)Cc3ccccc3)c4ccccc4	L05	1-benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
+C(C[C@@H](CS)C(=O)O)CNC(=N)N	L06	5-{[amino(imino)methyl]amino}-2-(sulfanylmethyl)pentanoic acid
+CCCc1nc2c(s1)c3ccccc3nc2N	L07	2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine
+CCOc1ccccc1Sc2ccc(cc2[N+](=O)[O-])c3ccnc(c3)N4CCN(CC4)C(=O)C	L08	1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine
+CC(C)(C)c1cc([nH]n1)NC(=O)Nc2ccc(c(c2)COc3cccnc3)Cl	L09	n-(3-tert-butyl-1h-pyrazol-5-yl)-n'-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea
+C[C@@H]1CC[C@]2([C@@H]([C@@H]3[C@H](O2)[C@H]([C@H]4[C@]3(CC[C@H]5[C@@H]4CC[C@H]6[C@@]5(C[C@@H]([C@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@@H](O8)CO)O)O[C@H]9[C@@H]([C@@H]([C@@H](CO9)O)O)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O[C@H]2[C@H]([C@@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1	L0A	digitonin
+CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O	L0B	alpha-lobeline
+c1cc(ccc1C(=O)Nc2c[nH]nc2c3[nH]c4cc(ccc4n3)C[NH]5CCOCC5)F	L0C	4-{[2-(4-{[(4-fluorophenyl)carbonyl]amino}-1h-pyrazol-3-yl)-1h-benzimidazol-6-yl]methyl}morpholin-4-ium
+c1ccc2c(c1)[nH]c(n2)c3cc[nH]n3	L0D	2-(1h-pyrazol-3-yl)-1h-benzimidazole
+c1ccc(cc1)NC(=O)Nc2c[nH]nc2c3[nH]c4ccc(cc4n3)C[NH]5CCOCC5	L0E	4-[(2-{4-[(phenylcarbamoyl)amino]-1h-pyrazol-3-yl}-1h-benzimidazol-5-yl)methyl]morpholin-4-ium
+c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3	L0F	n-[3-(1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]benzamide
+c1cc2c(cc1C[NH+]3CCOCC3)[nH]c([nH+]2)c4c(c[nH]n4)NC(=O)NC5CC5	L0G	2-{4-[(cyclopropylcarbamoyl)amino]-1h-pyrazol-3-yl}-6-(morpholin-4-ium-4-ylmethyl)-1h-3,1-benzimidazol-3-ium
+c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3	L0H	n-[3-(1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]benzamide
+c1cc2c(cc1C[NH+]3CCOCC3)[nH]c(n2)c4c(c[nH]n4)NC(=O)NC5CC5	L0I	4-[(2-{4-[(cyclopropylcarbamoyl)amino]-1h-pyrazol-3-yl}-1h-benzimidazol-6-yl)methyl]morpholin-4-ium
+c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CCN)C3CC3	L0J	n-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
+COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5CC4	L0K	~{n}-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxidanylidene-3~{h}-phthalazin-1-yl)ethanamide
+Cc1c2nc(c(n2ccn1)NC(=O)CN3c4ccccc4Oc5c3cccc5)c6ccccc6	L0M	n-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10h-phenoxazin-10-yl)acetamide
+CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OCC(C)C	L0N	~{n}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
+Cc1cccn2c1nc(c2NC(=O)CN3c4ccccc4SCC3=O)c5ccccc5	L0P	n-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4h-1,4-benzothiazin-4-yl)acetamide
+CCC(=O)Nc1cccc(c1)c2c3c([nH]c2c4ccc(cc4)N5CCN(CC5)C)ncnc3OC(C)C	L0Q	~{n}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
+c1ccc(cc1)OCC(=O)N2CCCC[C@@H]2C(=O)N3CCc4ccccc4C3	L0R	1-[(2r)-2-(3,4-dihydroisoquinolin-2(1h)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone
+CCN(CC)/C(=N/[P@@](=O)(C)OC)/C	L0S	methyl (r)-n-[(1e)-1-(diethylamino)ethylidene]-p-methylphosphonamidate
+CC(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc3cccc4c3nc(cc4S(=O)(=O)[O-])C(=O)Nc5cccc6c5nc(cc6S(=O)(=O)[O-])C(=O)Nc7cccc8c7nc(cc8S(=O)(=O)[O-])C(=O)Nc9cccc1c9nc(cc1S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)O	L0T	8-acetamido-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-carboxy-4-sulfonato-quinolin-8-yl)carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]-4-sulfonato-quinolin-8-yl]carbamoyl]quinoline-4-sulfonate
+CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)COC)OC[C@H](CO)O[C@@H]([C@@H](COC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC	L0W	lipopolysaccharide fragment
+CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCCO4	L0Y	6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3c4cc([nH]c4ncn3)c5ccc(cc5)C(=O)N6CCN(CC6)C	L0Z	4-~{tert}-butyl-~{n}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide
+CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc2)Cl)N(N1)c3ccccc3	L10	n-[(3z)-5-tert-butyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-ylidene]-n'-(4-chlorophenyl)urea
+c1cc(cnc1)OCc2cc(ccc2Cl)NC(=O)C3=CC(CC(C3)N4CCOCC4)F	L11	n-[4-chloro-3-(pyridin-3-yloxymethyl)-phenyl]-3-fluoro-
+c1ccc2c(c1)c(c[nH]2)CCc3ccncc3	L12	3-(2-pyridin-4-ylethyl)-1h-indole
+Cc1ccccc1C2=NNC(=S)N2N	L13	4-amino-5-(2-methylphenyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione
+C1CC(CCC1C(=O)O)C(=O)O	L14	trans-cyclohexane-1,4-dicarboxylic acid
+Cc1c(c[nH]n1)c2ccc(cc2)CCN	L15	2-[4-(3-methyl-1h-pyrazol-4-yl)phenyl]ethanamine
+C[C@H](c1cccc(c1)Cl)NC(=O)Cc2c(ccc([n+]2[O-])NCC(c3cccc[n+]3[O-])(F)F)Cl	L17	l17
+C[C@H](C[C@@H]1CCCC[N@]1C)C[C@@H](C)c2ccccc2	L18	(2s)-1-methyl-2-[(2s,4r)-2-methyl-4-phenylpentyl]piperidine
+COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5	L19	3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1h-indol-1-yl]propanoic acid
+CC(C)C[C@@H]([C@@H]([C@@H](C[C@@H]1CCC=CC1)NC(=O)[C@H](Cc2csc(n2)N)NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)N4CCOCC4)O)O	L1A	n-(morpholin-4-ylsulfonyl)-l-phenylalanyl-3-(2-amino-1,3-thiazol-4-yl)-n-{(1r,2r,3s)-1-[(1r)-cyclohex-3-en-1-ylmethyl]-2,3-dihydroxy-5-methylhexyl}-l-alaninamide
+CCc1c(c(nc(n1)N)N)c2ccc3ccc[n+](c3c2)CCCOC	L1B	7-(2,4-diamino-6-ethylpyrimidin-5-yl)-1-(3-methoxypropyl)quinolinium
+c1cc(ccc1NC(=O)N2C[C@](C[C@@H]2C(=O)Nc3ccc(cn3)N4C=CC=CC4=O)(c5ccc(cc5F)F)O)Cl	L1C	(2r,4s)-n^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-n^2^-(2-oxo-2h-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide
+c1ccc(cc1)[C@]2(C[C@@H](N(C2)C(=O)Nc3ccc(cc3)Cl)C(=O)Nc4ccc(cc4F)N5C=CC=CC5=O)O	L1D	(2r,4s)-n^1^-(4-chlorophenyl)-n^2^-[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide
+Cc1ccc2c(c1Nc3c(cccn3)c4c5c(nc[nH]5)ncn4)ccnc2Nc6ccc(cc6)Cl	L1E	n~1~-(4-chlorophenyl)-6-methyl-n~5~-[3-(7h-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine
+Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N	L1G	n-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide
+CC(C)(Cn1c2ccccc2nc1NC(=O)c3cc(cc(c3)F)c4cccnc4)O	L1H	3-fluoranyl-~{n}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide
+CC(C)(Cn1c2ccccc2nc1NC(=O)c3ccnc(c3)c4ccccc4)O	L1K	~{n}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O	L1L	2-amino-2-deoxy-1-o-phosphono-alpha-d-glucopyranose
+CCN(CC)/C(=N/[P@H](=O)OCC)/C	L1M	ethyl (r)-n-[(1e)-1-(diethylamino)ethylidene]phosphonamidate
+c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O	L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid
+CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	L1P	3-phosphoryl-[1,2-di-phytanyl]glycerol
+CCCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F	L1Q	2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide
+CC(C)Oc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OCCN)Cl	L1R	4-(2-aminoethoxy)-3,5-dichloro-n-[3-(1-methylethoxy)phenyl]benzamide
+COC(=O)c1cnc(nc1)N2CCN(CC2)C(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N	L1S	methyl 2-{4-[4-(7-carbamoyl-1h-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate
+[H]/N=C(\c1cc(c(s1)c2ccccc2)C)/N	L1T	4-methyl-5-phenyl-thiophene-2-carboximidamide
+c1cc(ccc1C(=O)[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O	L1V	4-[(1r,2s)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(cc6)O)c7ccccc7	L1W	~{n}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{h}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide
+CC1=CC=C(C(=O)N1c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4cc5cnn(c5cc4c6c[nH]nc6)C	L1X	n-(3-fluoro-4-{[1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
+c1cc(ccc1C(=O)[C@H]2CCC[C@@H]2CC(=O)O)C(=O)O	L1Y	4-[(1s,2r)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)C5=C(N=C(C(=O)N5)C)c6ccccc6	L1Z	~{n}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{h}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide
+Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4c[nH]c5c4cccc5)N	L20	(2s)-1-(1h-indol-3-yl)-3-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine
+CC(=CCn1cnc(c-2ncnc12)N)C	L21	3-(3-methylbut-2-en-1-yl)-3h-purin-6-amine
+c1cnc(nc1c2csc(n2)N)N	L22	4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine
+Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3ccnc(n3)N	L23	4-[1-(2,6-dichlorobenzyl)-2-methyl-1h-imidazol-4-yl]pyrimidin-2-amine
+c1cc(ccc1CC[C@H]2Cc3c(nc(nc3O)N)NC2)C(=O)N[C@@H](CCC(=O)O)C(=O)O	L24	[[[2-amino-5,6,7,8-tetrahydro-4-hydroxy-pyrido[2,3-d]pyrimidin-6-yl]-ethyl]-phenyl]-carbonyl-glutamic acid
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCOCC4)CCCCC2=O	L25	~{n}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C)C(=O)C	L26	4-acetyl-n-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@@H]3CNC(=O)c4c3cccc4)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6	L27	{1-benzyl-3-[2-benzyl-3-oxo-4-(1-oxo-1,2,3,4-tetrahydro- isoquinolin-4-yl)-2,3-dihydro-1h-pyrrol-2-yl]-2- hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester
+CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)N	L28	n~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1h-pyrrole-2,4-dicarboxamide
+CC(C)[C@H](C(=O)NO)N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5ccccc5	L29	n,n'-bis(2-{(biphenyl-4-ylsulfonyl)[(2r)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name)
+CC(C)C[C@H]1C(=O)N[C@](CCC\C=C\CCC[C@](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(=O)O)(C)N)(C)C(=O)O	L2A	(2s,5s,8s,11s,15e,20s)-20-amino-2-(carboxymethyl)-11,20-dimethyl-5,8-bis(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-11-carboxylic acid
+C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)COP(=O)(O)O	L2B	3'-deoxyuridine-5'-monophosphate
+CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC	L2C	(2s)-3-hydroxy-2-(nonanoyloxy)propyl laurate
+C1CC[C@@H]2[C@@H](C1)[N]34CC5=[N]([Fe]367([N]2(CC8=CC=CC=[N]68)CC(=O)O7)OC(=O)C4)C=CC=C5	L2D	{2,2'-[(1r,2r)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappan)methyl]imino-kappan}]diacetato-kappao(2-)}iron
+CC(=CCC/C(=C/Cc1c(cc2c(c1O)C(=O)C[C@H](O2)c3ccc(c(c3)O)O)O)/C)C	L2E	(2s)-2-(3,4-dihydroxyphenyl)-6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4h-chromen-4-one
+CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N	L2G	n-(4-{1-[4-(4-acetylpiperazin-1-yl)-trans-cyclohexyl]-4-amino-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide
+Cc1c-2nc(o1)-c3c(oc(n3)[C@@H](NC(=O)c4coc(n4)-c5coc(n5)-c6coc(n6)[C@@H](NC(=O)c7coc2n7)CCCCN)CCCCN)C	L2H	(12s,27s)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2. 1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode caene-10,25-dione
+c1ccc2c(c1)N(c3ccccc3O2)[C@H]4CCC[C@H]([C@@H]4O)NS(=O)(=O)c5ccc(cc5)OC(F)(F)F	L2J	n-[(1r,2r,3s)-2-hydroxy-3-(10h-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide
+c1cc(c(cc1C2=NNC3=NCCN3C2)F)F	L2K	3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine
+C[N@]12CC3=CC=CC=[N]3[Fe+2]145[N]6=CC=CC=C6C[N@@]4(CC(=O)O5)[C@@H]7[C@@H]2CCCC7	L2M	{(r)-n-[(1s,2s)-2-{methyl[(pyridin-2-yl-kappan)methyl]amino-kappan}cyclohexyl]-n-[(pyridin-2-yl-kappan)methyl]glycinato-kappa~2~n,o}iron(2+)
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCN(CC4)C)CCCCC2=O	L2N	~{n}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CC(C)C[C@H]([C@@H](C(=O)O)O)N	L2O	(2s,3r)-3-amino-2-hydroxy-5-methylhexanoic acid
+CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	L2P	2,3-di-phytanyl-glycerol
+COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCC(=O)[C@H]6[C@H]5CCCC6	L2Q	[(1~{r})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{s})-1-[[(1~{r},4~{a}~{r},8~{a}~{r})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{h}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate
+Cc1ccc(cc1)SCC(=O)N2CCCCC2	L2S	1-{[(4-methylphenyl)sulfanyl]acetyl}piperidine
+Cc1ccccc1CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc4ccccc4	L2T	4-(benzyloxy)-n-[(1s,2r)-2-hydroxy-1-({(1s)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCC4)CCCCC2=O	L2W	~{n}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CCN(CC)/C(=N/[P@](=O)(C)F)/C	L2Y	(s)-n-[(1e)-1-(diethylamino)ethylidene]-p-methylphosphonamidic fluoride
+Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CC5(C4)COC5)CCCCC2=O	L2Z	~{n}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+c1ccc2c(c1)cccc2NC(=O)c3cccnc3	L30	n-(naphthalen-1-yl)pyridine-3-carboxamide
+Cc1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)C(=O)C)c4cccc(c4)O	L31	3-[(1r)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1h-beta-carbolin-1-yl]phenol
+c1cc-2c(cc1Br)C(=NOCC(=O)O)c3c2ccc(c3)Br	L32	{[(2,7-dibromo-9h-fluoren-9-ylidene)amino]oxy}acetic acid
+CCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N(CC)CC)C)C(=O)C	L33	4-acetyl-n-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1h-pyrrole-2-carboxamide
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNc4c(c(nc(n4)N)O)N3C2=O	L34	4-(7-amino-9-hydroxy-1-oxo-3,3a,4,5-tetrahydro-2,5,6,8,9b-pentaaza-cyclopenta[a]naphthalen-2-yl)-phenylcarbonyl-glutami c acid
+CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl	L35	2-[4-({[(3,5-dichlorophenyl)amino]carbonyl}amino)phenoxy]-2-methylpropanoic acid
+CCCN(Cc1ccc(cc1)N)C(=O)NCC(=O)OCC	L36	ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2c(c(nc(n2)N)O)N	L37	[[n'-(2,5-diamino-6-hydroxy-pyrimidin-4-yl)-ureayl]-phen-4-yl]-carbonyl-glutamic acid
+C[C@H](CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CI	L39	(3beta,9beta,25r)-3-hydroxy-26-iodocholest-5-ene-16,22-dione
+C[C@@H](CP(=O)([C@H](CC(C)C)N)O)C(=O)O	L3A	(2r)-3-[(r)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+Cc1ccccc1C2=NC(=S)N=N2	L3B	5-(2-methylphenyl)-3h-1,2,4-triazole-3-thione
+Cc1c(c(c2ccccc2n1)c3ccc4c5c3nccc5CCO4)[C@@H](C(=O)O)OC(C)(C)C	L3D	(2s)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid
+c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)/C=N/c4ccc(cc4)C(=O)O)C(F)(F)F	L3E	4-[(~{e})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid
+Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCN(CC6)C7CCOCC7)N	L3G	n-(4-{4-amino-1-[1-(tetrahydro-2h-pyran-4-yl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1h-indole-2-carboxamide
+c1ccc(cc1)NC(=O)O[C@H]2CCC[NH+](C2)C3Cc4ccccc4C3	L3H	[(3~{s})-1-(2,3-dihydro-1~{h}-inden-2-yl)piperidin-1-ium-3-yl] ~{n}-phenylcarbamate
+CCCN(c1cc2cc(c1)C(=O)N[C@@H](Cc3cccc(c3)CCCC2)CN[C@H]([C@H](C)O)C(=O)/N=C/C(C)C)S(=O)(=O)C	L3J	(e)-n-(2-methylpropylidene)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-d-threoninamide
+c1cc2c(c(c1)C(=O)N)C(=O)N(C2)C3CCNCC3	L3L	3-oxo-2-piperidin-4-yl-2,3-dihydro-1h-isoindole-4-carboxamide
+CCC[C@@H]([C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1)O	L3M	(3s)-3-hydroxy-n-(2-methylpropyl)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-l-norleucinamide
+CC(C)C[C@@H]([C@@H](C(=O)O)O)N	L3O	(2s,3s)-3-amino-2-hydroxy-5-methylhexanoic acid
+CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	L3P	2,3-di-o-phytanly-3-sn-glycero-1-phosphoryl-3'-sn-glycerol-1'-phosphate
+C1CN2[C@@H](CN1)COC2=O	L3Q	(8~{a}~{s})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
+Cc1ccc(c(c1)O)[N+](=O)[O-]	L3S	5-methyl-2-nitrophenol
+Cc1ccccc1CNC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)C(=O)c3c[nH]c4c3cccc4	L3T	n-(2,2-dimethylpropyl)-n~2~-[1h-indol-3-yl(oxo)acetyl]-l-asparaginyl-n-(2-methylbenzyl)-3-pyridin-4-yl-l-alaninamide
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)N(C2=O)C)O)O)N	L3U	[(2~{r},3~{s},4~{r},5~{r})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC(=O)Nc1ccc(cc1)CO	L3V	n-[4-(hydroxymethyl)phenyl]acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N(/C=C/C=C(/C(=O)N)\O)C=O)O)O)O)O)N	L3W	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-[[(1~{e},3~{z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CS(=O)(=O)c1ccc(cc1)C=O	L3Y	4-(methylsulfonyl)benzaldehyde
+c1ccc2c(c1)-c3cc(ccn3)C(=O)Nc4nc5ccccc5n4CCCCCO2	L3Z	8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
+CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O)NC)C)C(=O)C	L40	4-acetyl-3-ethyl-5-methyl-n-[2-methyl-5-(methylsulfamoyl)phenyl]-1h-pyrrole-2-carboxamide
+CCCc1c(ccc(c1O)C(=O)C)OCCCOc2ccc(cc2)OCC(=O)O	L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)c3[nH]nnn3	L43	3-[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid
+CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC	L44	(2s)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate
+CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)O	L45	~{n}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{h}-cyclohepta[c]pyrrole-1-carboxamide
+CCc1c(c([nH]c1C(=O)NC)C)C(=O)C	L46	4-acetyl-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide
+CC(=O)N1[C@@H](CC(=N1)c2ccccc2Cl)c3cccc(c3)O	L47	3-[(5s)-1-acetyl-3-(2-chlorophenyl)-4,5-dihydro-1h-pyrazol-5-yl]phenol
+C(CO)c1c(nc(o1)CCO)C(=O)O	L4A	2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid
+C[C@@]12CC[C@H]3[C@@]4(CCCC([C@H]4CC[C@@]3([C@H]1Cc5c2c(cc(c5O)O)C(=O)O)C)(C)C)C	L4B	(4~{a}~{r},4~{b}~{s},6~{a}~{r},11~{a}~{r},11~{b}~{s},13~{a}~{r})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)- 3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{h}-indeno[2,1-a]phenanthrene-7-carboxylic acid
+CC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O	L4C	(2e)-2-{[(2s)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid
+C[N]12CC[N]34[Fe+2]1([N]5=C(C2)C=CC=C5)([N]6=CC=CC=C6C3)OC(=O)C4	L4D	{(s)-n-(2-{methyl[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-n-[(pyridin-2-yl-kappan)methyl]glycinato-kappa~2~n,o}iron(2+)
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)/C)C	L4E	geranylgeranyl dihydroxybenzoate
+CS(=O)(=O)c1ccc(cc1)c2ccc3cc(ccc3c2Oc4ccc(cc4)OCCN5CCCCC5)O	L4G	6-(4-methylsulfonyl-phenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
+CC(=CCC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)C	L4H	farnesyl dihydroxybenzoate
+CCCC[C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1	L4J	n-(2-methylpropyl)-n~2~-{[(4s)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-l-norleucinamide
+CCCCCc1ccc(cc1)S(=O)(=O)N	L4K	4-pentylbenzenesulfonamide
+c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O	L4M	4-{[(1s,2s)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid
+CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	L4P	3-[glycerolylphosphonyl]-[1,2-di-phytanyl]glycerol
+CCCCCCc1ccc(cc1)S(=O)(=O)N	L4Q	4-hexylbenzenesulfonamide
+c1ccc(c(c1)C(=O)[C@@H]2CCC[C@H]2CC(=O)Nc3cn(nn3)C[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)N)O)O	L4S	2',5'-dideoxy-5'-[4-({[(1s,2r)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1h-1,2,3-triazol-1-yl]cytidine
+CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O	L4T	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-l-prolinamide
+CN1CCC/C=C\CCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O	L4V	13-chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8h,12h)-dione
+CCCCCOc1ccc(cc1)S(=O)(=O)N	L4W	4-pentoxybenzenesulfonamide
+C[C@@H]1CCc2c(c([nH]n2)C(=O)N[C@H]3COc4ccccc4N(C3=O)C)C1	L4Y	(5r)-5-methyl-n-[(3s)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide
+Cc1cc(n(n1)C)CNC(=O)O	L4Z	(2,5-dimethylpyrazol-3-yl)methylcarbamic acid
+Cc1ccc(cc1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O	L50	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methylphenyl)pentyl]phosphonic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)N	L51	1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+c1ccc(cc1)C#CC#Cc2ccc(cc2)C(=O)N[C@@H](CN)C(=O)NO	L52	n-[(2s)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide
+C[C@@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O	L53	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3s)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide
+CN(C(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)CP(=O)(O)O)O	L54	{(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-[4-(trifluoromethyl)phenyl]pentyl}phosphonic acid
+Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3cccc(c3)NC(=O)c4cnn(c4)C)C	L55	n-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide
+Cc1cccc(c1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O	L56	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]phosphonic acid
+c1ccc(cc1)/C(=N/OCC(=O)O)/c2ccc(c(c2)Cl)Cl	L57	({(z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccc(cc2)Br)O	L58	4'-bromo-n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccccc2)O	L59	n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide
+c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)CC(=O)O	L5A	(4-{[(1s,2s)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid
+c1cc(ccc1C2=C(CCCc3c2ccc(c3)C(=O)O)c4ccc(cc4Cl)Cl)O[C@H]5CCN(C5)CCCF	L5B	6-(2,4-dichlorophenyl)-5-[4-[(3~{s})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{h}-benzo[7]annulene-2-carboxylic acid
+Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccc(cc3)NC(=O)c4cnn(c4)C)C	L5C	n-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide
+Cc1cccc(c1)c2cccc(c2)C(=O)O	L5D	3-(3-methylphenyl)benzoic acid
+c1cc(c2c(c1Br)CC[C@@H](C(C2)(O)O)[NH3+])Br	L5E	[(7~{s})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
+COc1ccc2c(ccnc2c1)OCc3nnc4n3nc(cc4)c5ccccc5	L5G	7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
+c1ccc(cc1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)n4ccnc4	L5H	~{n}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{h}-quinoxalin-1-yl]benzamide
+c1cc(ccc1C[C@H]2CCC[C@@H]2CC(=O)O)CC(=O)O	L5J	(4-{[(1r,2r)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid
+c1cc(cc(c1)NS(=O)(=O)c2ccc3c(c2)c4ccc(cc4o3)[N+](=O)[O-])NC(=O)C5(CC5)O	L5K	~{n}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide
+c1cc2c(c(c1)NC(=O)c3ccc(s3)Cl)C(=O)N(C2=O)Cc4ccc(cc4)C(=O)O	L5N	4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid
+C(CCNCC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C[C@@H](C(=O)O)N	L5P	(2s)-2-azanyl-6-[[(3r,4r)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid
+Cc1cc(no1)C(=O)NCC(F)(F)F	L5Q	5-methyl-~{n}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide
+Cc1nnc2n1-c3c(ccs3)C(=NC2)c4ccccc4	L5S	13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene
+CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O	L5T	n-[(cyclopentyloxy)carbonyl]-3-methyl-l-valyl-(4r)-n-[(1r,2s)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-l-prolinamide
+c1c(nc(cn1)Cl)c2nc[nH]n2	L5V	2-chloranyl-6-(1h-1,2,4-triazol-3-yl)pyrazine
+C1CC2(CCC1C2)C(=O)NO	L5W	~{n}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide
+c1cncc2c1c(n[nH]2)c3cc(cc(n3)C(F)(F)F)NCCO	L5Y	2-{[2-(1h-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol
+c1cc(cc(c1)F)C[C@@H]2C[C@H]2NCCc3ccnc(n3)n4ccnc4	L5Z	(1r,2r)-2-(3-fluorobenzyl)-n-{2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine
+C1CNC(=O)NC1	L60	1,3-diazinan-2-one
+CC(C)COC(=O)N[C@H](CC=O)c1ccccc1	L61	2-methylpropyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate
+c1ccc(cc1)[C@@H](CC=O)NC(=O)OC2CCCC2	L62	cyclopentyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccccc2)O	L63	n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide
+c1cc(cnc1)C(=O)N2CCC(CC2)n3c4c(cn3)c(nc(n4)c5ccc(cc5)NC(=O)Nc6ccncc6)N7CCOCC7	L64	1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea
+Cc1ccc(cc1c2cn3c4c(nc3n2c5ccccc5OC)N(C(=O)NC4=O)C)O	L66	7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione
+c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)O	L67	{(1s,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid
+Cn1cc(cn1)c2ccc(c(c2)C=CC(=O)c3c(cc(cc3F)c4c[nH]nc4)F)C(=O)O	L68	2-[3-[2,6-bis(fluoranyl)-4-(1~{h}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid
+CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O	L69	[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid
+COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O	L6B	methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-3-enoate
+c1ccc(cc1)[C@@H](CC=O)NC(=O)Oc2ccccc2	L6C	phenyl n-[(1r)-3-oxidanylidene-1-phenyl-propyl]carbamate
+CNC(=O)COC(=O)/C=C/CNC(=O)C1=CC2=C(CCCC2)NC1=O	L6E	[2-(methylamino)-2-oxidanylidene-ethyl] (~{e})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-2-enoate
+CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2nc(cs2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS	L6G	(5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione
+C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NC/C=C/C(=O)OCC(=O)NCCCNC(=O)OC3CCCC=CCC3	L6H	[2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{e})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-quinolin-3-yl)carbonylamino]but-2-enoate
+Cc1ccc(cc1CN2C[C@H](Oc3ccccc3S2(=O)=O)C)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C	L6I	(3s)-3-(7-methoxy-1-methyl-1h-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((r)-4-methyl-1,1-dioxido-3,4-dihydro-2h-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid
+COc1ccccc1C(=O)C2CCCC2C(C(=O)O)C(=O)O	L6J	[(1r,2r)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid
+CN[C@@H](Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O	L6K	(2~{s})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid
+c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)N[C@@H](CCC(=O)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)O)C(=O)O	L6M	5'-{[n-({(1s,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-l-gamma-glutamyl]amino}-2',5'-dideoxycytidine
+c1cc(c(cc1CC(=O)NC2(CCCCC2)C(=O)O)C3CC3)C#N	L6P	1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid
+C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)O	L6S	6-o-sulfo-alpha-l-galactopyranose
+CCCCCCCCCCCCOC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	L6T	alpha-d-glucopyranosyl 6-o-dodecyl-alpha-d-glucopyranoside
+c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccsc3)C#N	L6V	n-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide
+c1ccc(cc1)C(=O)c2ccc3c4c2cccc4C(=O)N(C3=O)O	L6Y	2-oxidanyl-6-(phenylcarbonyl)benzo[de]isoquinoline-1,3-dione
+CCN1C(=O)C[C@H](C1=O)c2cccc(c2)CN	L71	(3s)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione
+c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl	L74	3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1h-pyrrolo[2,3-b]pyridine
+CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cc6ccccc6o5	L75	n-[2(r)-hydroxy-1(s)-indanyl]-2(r)-phenylmethyl-4(s)-hydroxy-5-[4-[2-benzofuranylmethyl]-2(s)-[tert-butylaminocarbonyl]-piperazinyl]-pentaneamide
+C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3c([nH]nn3)CN(C)C)c4ccc(cc4)F	L76	1-(4-{[(2r,3s)-2-{(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1h-1,2,3-triazol-5-yl)-n,n-dimethylmethanamine
+c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)NC(=O)c4c(cccc4Cl)F)C(F)(F)F	L77	2-chloro-6-fluoro-n-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1h-indol-6-yl)benzamide
+CC1(CCC(c2c1ccc(c2)C3=CC=CC4C3CC(O4)\C=C\C(=O)O)(C)C)C	L79	(s)-(2e)-3[4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)tetrahydro-1-benzofuran-2-yl]-2-propenoic acid
+c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3	L7A	n-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide
+c1cc(ccc1C2(CCCC2)S(=O)(=O)c3ccc(cc3)F)C(C(F)(F)F)(C(F)(F)F)O	L7D	1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol
+CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cc(ccn2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS	L7G	(5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)O[C@H]4CCOC4)OC	L7H	~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{s})-oxolan-3-yl]oxy-quinazolin-4-amine
+c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)OCc4c(cncc4Cl)Cl)C(F)(F)F	L7J	6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1h-indole
+c1ccc(cc1)CCn2c(nnn2)[C@@H](C3CCCCC3)NN	L7K	[(~{r})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane
+Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNS(=O)(=O)c4cccc5c4cccc5N(C)C	L7M	2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C@@H]2CONC2=O)O	L7N	(~{e})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{r})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium
+CNc1nccc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCCCC4	L7O	n-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide
+c1cc(ccc1CN2CCN(CC2)Cc3ccncc3)c4ccc(cc4F)C(C(F)(F)F)(C(F)(F)F)O	L7P	1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol
+CCN1C(=O)C[C@@H](C1=O)c2cccc(c2)C(=O)N	L7S	3-[(3r)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
+c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)F	L7T	2,3,4,5,6-pentafluorobenzenesulfonamide
+c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl)C(=O)N4CCOCC4	L7Y	5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1h)-one
+c1c2cnc(nc2cc(c1Cl)[C@@H]3CCN(C[C@H]3F)[C@@H]4COC[C@@H]4O)Nc5cnn(c5Cl)[C@@H]6CC6(F)F	L80	(3r,4r)-4-{(3s,4s)-4-[6-chloro-2-({5-chloro-1-[(1r)-2,2-difluorocyclopropyl]-1h-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol
+CC1(CNc2c1cc(c(c2)O)C(=O)N3Cc4ccccc4C3)C	L81	1,3-dihydroisoindol-2-yl-(6-hydroxy-3,3-dimethyl-1,2-dihydroindol-5-yl)methanone
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O)O	L84	(1s,2r,4s,5s,6s)-5,6-bis(4-hydroxyphenyl)-n-{4-[3-(piperidin-1-yl)propoxy]phenyl}-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
+c1cc(ccc1/N=N/c2ccc(cc2)S(=O)(=O)O)O	L85	4-[(e)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid
+c1ccc(cc1)C[C@H]2CNCCCNCCc3ccccc3CNC(=O)CN4C(=CN=C(C4=O)N2)Cl	L86	(11s)-11-benzyl-6-chloro-1,2,10,11,12,13,14,15,16,17,18,19-dodecahydro-5,9-methano-2,5,8,10,13,17-benzohexaazacycloheni cosine-3,24-dione
+CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4ccccc4C	L87	8-butyl-1-methyl-7-(2-methylphenyl)-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@H](CCC(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](CCC(=O)O)NC(=O)CCc4ccc(cc4)c5cc(cs5)c6ccccc6	L88	(4r,22r)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid
+c1cncc(c1N)N	L89	pyridine-3,4-diamine
+CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)F	L8A	1-(4-{(3r)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4cnco4)O	L8B	(4r)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-n-[4-(1,3-oxazol-5-yl)benzyl]-l-prolinamide
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO	L8C	n-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide
+CN1c2cnc(cc2CC[C@@H](C1=O)NC(=O)c3nc4n(n3)[C@@H](CC4)c5ccccc5)OC	L8D	(5s)-n-[(3s)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1h-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5h-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
+CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cccc(n2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS	L8G	(5r,8s,11s)-5-methyl-8-(propan-2-yl)-11-[(1e)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione
+COc1cc(cc2c1cccc2)N	L8H	4-methoxynaphthalen-2-amine
+CN1CC2(C1)CNC(=O)c3c2[nH]c-4c3CCc5c4cc(nc5)c6ccccc6F	L8I	2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'h)-one
+c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br	L8J	[(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
+C[C@@H]1CNCCN1c2nc3c(cccc3F)c(n2)Nc4cc([nH]n4)C(C)(C)C	L8M	n-(5-tert-butyl-1h-pyrazol-3-yl)-8-fluoro-2-[(2r)-2-methylpiperazin-1-yl]quinazolin-4-amine
+c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N	L8N	phenyl-(4-sulfamoylphenoxy)phosphinic acid
+C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O	L8P	({[(2s)-1-(4-amino-2-oxopyrimidin-1(2h)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
+COc1ccc(cc1O)[N+](=O)[O-]	L8Q	2-methoxy-5-nitro-phenol
+c1nc2c(n1[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)NC(=O)NC2=O	L8S	9-{5-o-[(s)-hydroxy{[(r)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-l-arabinofuranosyl}-3,9-dihydro-1h-purine-2,6-dione
+c1cc(c(nc1)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)C(=O)Nc4ccc(cc4F)F	L8V	2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-n-(2,4-difluorophenyl)pyridine-3-carboxamide
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NC45C6=C7[Fe]6489123(C7=C85)C4=C9[C]1C2=C34)c1ccc(cc1)Cl)C	L8W	 (+)-jd1
+CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F	L8Y	4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-n-methylpyridine-3-carboxamide
+CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4c(ccc5c4cn[nH]5)C	L90	8-butyl-1-methyl-7-(5-methyl-1h-indazol-4-yl)-1h-imidazo[2,1-f]purine-2,4(3h,8h)-dione
+CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F	L91	6-[(5-fluoropyridin-2-yl)amino]-n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
+Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4cccc4	L92	(2s)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(1h-pyrrol-1-yl)propanoic acid
+C[NH+](C)CCC[NH+]=C(c1ccc(cc1)/C(=[NH+]/CCC[NH+](C)C)/N)N	L94	n'-{(z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-n,n-dimethylpropane-1,3-diaminium
+CC/C=C\[C@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C/C(=C\[C@H](C)[C@H]([C@@H](C)/C=C\[C@H](C[C@H]1[C@@H](CCC(=O)O1)C)O)O)/C)O)OC(=O)N	L95	[(3~{z},5~{s},6~{s},7~{s},8~{r},9~{s},11~{z},13~{s},14~{s},15~{s},16~{z},18~{s})-5,7,9,11,13,15-hexamethyl-19-[(2~{s},3~{r})-3-methyl-6-oxidanylidene-oxan-2-yl]-8,14,18-tris(oxidanyl)nonadeca-3,11,16-trien-6-yl] carbamate
+Cc1c(c(n[nH]1)C)c2c3cc(ccc3n(c2c4cccc(c4)OC(C)C)CCC(=O)O)C5CC5	L96	3-{5-cyclopropyl-3-(3,5-dimethyl-1h-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1h-indol-1-yl}propanoic acid
+c1cc(c(nc1)Cl)N	L97	2-chloranylpyridin-3-amine
+c1cc(cc(c1)NC(=N)N)[C@@H](CS)C(=O)O	L98	(2r)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-sulfanylpropanoic acid
+c1cc(c(cc1C(=O)NN)N)N	L99	3,4-bis(azanyl)benzohydrazide
+CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)NC(=O)C3CC3	L9A	6-[(cyclopropanecarbonyl)amino]-n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
+c1cc(ccc1CCCCO)S(=O)(=O)N	L9B	4-(4-oxidanylbutyl)benzenesulfonamide
+[C@H]1([C@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)C(=O)O	L9D	(1s,2r,3s,4s,5s,6r)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid
+Cc1ccc(cc1c2nnc3n2cc(cc3)CCc4ccc(cc4F)F)C(=O)N	L9G	3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide
+CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCCc6c(nc7cc(ccc7n6)OC)O2)C(C)(C)C	L9J	(1ar,5s,8s,9s,10r,22ar)-5-tert-butyl-n-[(1r,2r)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8h-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide
+CS(=O)(=O)c1ccc(cc1)C2=CN/C(=N\Cc3cccc4c3cco4)/n5c2nnc5	L9K	(~{e})-~{n}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{h}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine
+c1cc(ccc1C[C@@H](CNc2ncc(s2)c3ccc4c(c3)CC(=O)N4)N)C(F)(F)F	L9L	5-[2-({(2s)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2h-indol-2-one
+Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)c(n[nH]4)C)N	L9M	(2s)-n~1~-[5-(3-methyl-1h-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine
+Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)cn[nH]4)N	L9N	(2s)-n~1~-[5-(1h-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine
+CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(c6c(nc7cc(ccc7n6)OC)O2)(F)F)C(C)(C)C	L9P	voxilaprevir
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC	L9Q	(1s)-2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	L9R	(2s)-3-(octadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
+c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5	L9S	n-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-n'-{3-[(2r)-1-(2-hydroxyethyl)-4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea
+Cc1c(sc(n1)NCc2cccc3c2OCO3)c4ccn(n4)C	L9T	n-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
+CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5	L9W	n-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
+CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N	L9X	l-gamma-glutamyl-s-[(3r)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-l-cysteinylglycine
+CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3	L9Y	4-{[(2s)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1h-inden-5-yl]oxy}butanoic acid
+C1[C@@H](C[C@@]([C@H]([C@@H]1O)O)(CN)O)C(=O)O	L9Z	(1~{s},3~{s},4~{s},5~{r})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
+[La+3]	LA	lanthanum (iii) ion
+CC(C)C[C@H]1C(=O)N(CCC(=O)N1Cc2cc3ccccc3nc2)[C@@H](Cc4ccc5ccccc5c4)C(=O)NC	LA1	(2r)-2-[3-isobutyl-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-n-methyl-3-(2-naphthyl)propanamide
+C(CCC(=O)NCCCC[C@@H](C(=O)O)N)C[C@H](CCS)S	LA2	n~6~-[(6r)-6,8-disulfanyloctanoyl]-l-lysine
+c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3ccc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O	LA3	(2r)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-n~4~-hydroxy-n~1~-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]butanediamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O	LA4	beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O	LA5	beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranosyl-(1->3)-beta-d-glucopyranose
+CC(=CCC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)C	LA6	(2e)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
+Cc1ccc(c(n1)CO)O	LA7	2-(hydroxymethyl)-6-methylpyridin-3-ol
+c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N	LA8	l-adenosine-5'-diphosphate
+C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C)P(=O)(C[C@@H](CCc1ccccc1)C(=O)O)O	LA9	(2s)-2-{[(r)-{(1r)-1-[(n-acetyl-l-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
+[C@H]([C@H](C(=O)O)O)(C(=O)N)N	LAA	(3r)-3-hydroxy-l-alpha-asparagine
+C[C@H]\1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)\C=C(/CC\C=C1)\C	LAB	latrunculin b
+C[C@H](C(=O)O)O	LAC	lactic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CCCCN)N)O)O)N	LAD	adenosine-5'-[lysyl-phosphate]
+CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O	LAE	3-oxo-octanoic acid (2-oxo-tetrahydro-furan-3-yl)-amide
+C(CC(=O)O)C(=O)CF	LAF	5-fluorolevulinic acid
+C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	LAG	maltosyl-alpha (1,4)-(z,3s,4s,5r,6r)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one oxime
+CC(C)OP(=O)(O)O[C@@H]1[C@H]([C@H](CO[C@H]1O)O)O	LAH	2-o-[(r)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-l-arabinopyranose
+C([C@@H]([C@@H]([C@H](C=O)O)O)O)O	LAI	l-arabinose
+CNC(=O)c1c(cc(nn1)Nc2ccccn2)Nc3ccccc3S(=O)(=O)C	LAJ	n-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O)O	LAK	beta-d-galactopyranosyl-1-6-beta-d-glucopyranose
+C[C@@H](C(=O)O)N(C)C	LAL	n,n-dimethyl-l-alanine
+c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O	LAM	4'-nitrophenyl-s-(beta-d-glucopyranosyl)-(1-3)-(3-thio-beta-d-glucopyranosyl)-(1-3)-beta-d-glucopyranoside
+C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C	LAN	lanosterol
+C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O	LAO	2-o-phosphono-alpha-l-arabinopyranose
+CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O	LAP	[2-((1-oxododecanoxy-(2-hydroxy-3-propanyl))-phosphonate-oxy)-ethyl]-trimethylammonium
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@@H]4CCSS4)O)O)N	LAQ	5'-o-[(r)-({5-[(3r)-1,2-dithiolan-3-yl]pentanoyl}oxy)(hydroxy)phosphoryl]adenosine
+C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(\CC/C=C/C=C1)/C	LAR	latrunculin a
+C[C@@H]1[C@@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)SCC(C(=O)O)NC(=O)C)O	LAS	n-acetyl-s-({(2r,3s,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	LAT	beta-lactose
+CCCCCCCCCCCC(=O)O	LAU	dodecanoic acid
+CC(C)C[C@@H](CN[C@@H](C(C)C)C(=O)O)N	LAV	n-[(2s)-2-amino-4-methylpentyl]-l-valine
+CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O	LAX	eicosa-8,11,14-trienoic acid
+CC(C)C[C@@H](C(=O)O)NC(=O)C	LAY	n-acetyl-l-leucine
+c1cc(ccc1C(=O)NCCO)Cl	LAZ	n-(2-aminoethyl)-p-chlorobenzamide
+CN1CCN(CC1)C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)O3	LB1	(1s,2r,3s,4r)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LB2	3-o-beta-d-glucopyranosyl-beta-d-glucopyranose
+Cc1cc(ncc1F)Nc2cc(c(cn2)C(=O)NC)Nc3cccc(c3OC)C(=O)NCc4ccccn4	LB4	6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-n-methylpyridine-3-carboxamide
+Cc1ccccc1n2cc(cn2)C(=O)NCc3ncc(s3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N	LB5	~{n}-[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide
+c1cc(cc2c1ccn2CC(=O)NCC(=O)O)Br	LB6	n-[(6-bromo-1h-indol-1-yl)acetyl]glycine
+CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncn(n4)C	LB7	6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl]amino}-n-methylpyridazine-3-carboxamide
+Cc1ccc(cc1NC(=O)c2cnn(c2C(F)(F)F)c3ccccc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N	LB8	~{n}-[5-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
+c1cc(ccc1c2[nH]c3ccc(cc3n2)C(=O)O)OC[C@H](COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(=O)O)O	LBA	2-(4-{3-[4-(6-carboxy-1h-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1h-benzimidazole-5-carboxylic acid
+Cc1ccccc1n2cc(cn2)C(=O)Nc3cc(ccc3C)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N	LBB	~{n}-[5-[[(2~{s})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
+C[C@@H]1CNCCN1c2nc3ccccc3c(n2)Nc4cc(n[nH]4)C(C)(C)C	LBD	n-(3-tert-butyl-1h-pyrazol-5-yl)-2-[(2r)-2-methylpiperazin-1-yl]quinazolin-4-amine
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NCCCC4CCCCC4)N	LBE	5-azanyl-~{n}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C	LBF	leptomycin b
+COC(=O)c1cc(c(c(c1)Cl)O)S(=O)(=O)Nc2cc(c(cc2F)F)c3ccccc3	LBG	methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl)sulfamoyl]-4-hydroxybenzoate
+Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C=C/C(=O)NO	LBH	panobinostat
+C[C@H](c1ccccc1)Nc2c3cc(c(cc3ncn2)OC)OC	LBK	6,7-dimethoxy-~{n}-[(1~{r})-1-phenylethyl]quinazolin-4-amine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O	LBL	(2~{r},3~{r},4~{r},5~{r})-4-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5, 6-tetrakis(oxidanyl)hexanal
+CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C	LBM	4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-n-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1h-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	LBN	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
+CCCC[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N	LBP	(2s)-2-amino-4-(s-butyl-n-phosphonosulfonimidoyl)butanoic acid
+c1cc(oc1)CNc2ccc(cc2)S(=O)(=O)N	LBQ	4-(furan-2-ylmethylamino)benzenesulfonamide
+CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCBr	LBR	(2s)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)O)O)O)O)O)O	LBS	6-o-beta-d-fructofuranosyl-beta-d-fructofuranose
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	LBT	alpha-lactose
+COC(=O)[C@@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O	LBU	methyl (2s)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylate
+C/C=C/1\C(C(=O)N\C1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C	LBV	3-[2-[(z)-[3-(2-carboxyethyl)-5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(z)-[(3e)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3- yl]propanoic acid
+C/C=C/1\[C@H](C(=O)N\C1=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=[NH+]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C	LBW	3-[2-[(z)-[5-[(z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(z)-[(3e,4r)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N	LBY	n~6~-(tert-butoxycarbonyl)-l-lysine
+c1ccc(cc1)C(=O)NCCCC[C@@H](C(=O)O)N	LBZ	(2~{s})-2-azanyl-6-benzamido-hexanoic acid
+C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O	LC	l-cytidine-5'-monophosphate
+Cn1cc(cn1)c2cnc(c(n2)OCc3cc(c(cn3)OCc4ccc(cc4)OC)OC)N	LC0	3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1h-pyrazol-4-yl)pyrazin-2-amine
+c1cc2c(cc1S(=O)(=O)N)nc([nH]2)c3cscn3	LC1	2-(1,3-thiazol-4-yl)-1h-benzimidazole-5-sulfonamide
+C[C@@H]1[C@H]2C[C@@H](/C=C/C(=C/C[C@@H](/C=C/C(=C/[C@H]([C@@](C1=O)(C(=O)O2)C)NC(=O)C(=O)C)/C)O)/C)O	LC2	n-[(1s,2r,3e,5e,7s,9e,11e,13s,15r,19r)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide
+c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O)c5ccc(cc5)C(=O)O	LC3	7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
+c1cn(cn1)CCCCCCCCCCCC(=O)O	LC4	12-(1h-imidazol-1-yl)dodecanoic acid
+CN(C(=O)C[C@@H](CCCc1cccc2c1cccc2)CP(=O)(O)O)O	LC5	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(naphthalen-1-yl)pentyl]phosphonic acid
+Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7	LC6	7-(4-{[(4-{[(2r)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
+CN(C(=O)C[C@@H](CCCc1cccc(c1)F)CP(=O)(O)O)O	LC7	[(2r)-5-(3-fluorophenyl)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}pentyl]phosphonic acid
+c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N	LC8	4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N	LCA	[(1r,3r,4r,7s)-7-hydroxy-3-(adenin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CCc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N	LCB	4-[(6-ethyl-7~{h}-purin-2-yl)amino]benzenesulfonamide
+CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O	LCC	[(1r,3r,4r,7s)-7-hydroxy-3-(5-methylcytosin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+COc1ccc(cc1OC)/C=C\2/C(=O)c3ccc(cc3O2)OCC(=O)O	LCD	{[(2z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid
+CO[C@@H]1[C@@H]([C@@H]2[C@H](S1)C(C2=O)(Cl)Cl)C(=O)O	LCE	(1s,3s,4s,5s)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid
+CC1(Cc2c(c(c(n2C1)CC(=O)O)c3ccc(cc3)Cl)c4ccccc4)C	LCF	[6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-yl]acetic acid
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@@](O3)(CO4)COP(=O)(O)O)O)N=C(NC2=O)N	LCG	[(1r,3r,4r,7s)-7-hydroxy-3-(guanin-9-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O	LCH	[(1r,3r,4r,7s)-7-hydroxy-3-(5-methylcytosin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+Cn1c(c(cn1)c2c(cnc(n2)NC3CCC(CC3)[NH3+])F)CC4CC4	LCI	[4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium
+c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO	LCJ	5-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
+C/C(=N/CCCC[C@@H](C(=O)O)N)/CC(=O)O	LCK	(z)-n~6~-(2-carboxy-1-methylethylidene)-l-lysine
+c1cc(ccc1[C@@H]([C@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	LCL	2,2-dichloro-n-[(1s,2s)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
+c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O	LCM	n,n'-butane-1,4-diylbis(2,3-dihydroxybenzamide)
+C1=C([C@H]([C@@H]([C@H](O1)CO)O)O)O	LCN	1,5-anhydro-d-arabino-hex-1-enitol
+[O-]Cl(=O)=O	LCO	chlorate ion
+[O-]Cl(=O)(=O)=O	LCP	perchlorate ion
+c1ccc(cc1)Nc2nc(c3c(n2)[nH]cn3)C#N	LCQ	2-phenylazanyl-9~{h}-purine-6-carbonitrile
+c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O	LCR	(2-{4-[(r)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CONC2=O)O	LCS	[5-hydroxy-6-methyl-4-({[(4e)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate
+CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-]	LCT	n-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
+C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	LCV	(2~{s})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid
+C=Cc1c2c([nH]cn2)nc(n1)Nc3ccc(cc3)CC(=O)N	LCW	2-[4-[(6-ethenyl-9~{h}-purin-2-yl)amino]phenyl]ethanamide
+C(CCNC(=O)O)C[C@@H](CO)N	LCX	carboxylated lysine
+CN1C(=O)CCC1=O	LCY	1-methylpyrrolidine-2,5-dione
+CC(C)C[C@@H](C=O)N	LCZ	(2s)-2-amino-4-methylpentanal
+c1ccc(cc1)[C@H]2C(=Nn3cnnc3S2)c4ccc5c(c4)NC(=O)CO5	LD1	6-[(7s)-7-phenyl-7h-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2h-1,4-benzoxazin-3(4h)-one
+c1ccc(cc1)C/C(=N\n2cnnc2S)/c3ccc4c(c3)NC(=O)CO4	LD2	6-[(1e)-2-phenyl-n-(3-sulfanyl-4h-1,2,4-triazol-4-yl)ethanimidoyl]-2h-1,4-benzoxazin-3(4h)-one
+c1cnc(nc1)NC2CCCCCC2	LD4	n-cycloheptylpyrimidin-2-amine
+C=Cc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3)S(=O)(=O)N	LD5	4-[(6-ethenyl-7~{h}-purin-2-yl)amino]benzenesulfonamide
+CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)F)N)S(=O)(=O)c3ccccc3	LD6	n-(6-amino-1-(3-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+CCc1nc(on1)C(=O)NCc2ccc(cc2)F	LD7	3-ethyl-n-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
+COc1ccnc(n1)OC	LD8	2,4-dimethoxypyrimidine
+c1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O	LD9	[6-(phenylamino)-1-benzofuran-3-yl]acetic acid
+CCCCCCCCCCCC[N+](C)(C)[O-]	LDA	lauryl dimethylamine-n-oxide
+C1=CNC(=O)NC1=S	LDB	4-thiouracil
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)CO)O	LDC	4-amino-1-(2-deoxy-beta-l-erythro-pentofuranosyl)pyrimidin-2(1h)-one
+COc1ccc(cc1)C(=O)N2CCCCCC2	LDD	(azepan-1-yl)(4-methoxyphenyl)methanone
+CC(C)C[C@H](N)P(=O)(C[C@H](CCC(=O)O)C(=O)O)O	LDE	(2r)-2-{[(s)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid
+COc1cc2c(c(c1CNC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C(=O)N3)OC)C(=O)c6ccccc6C2=O	LDG	2'-deoxy-n-[(1,3-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl]guanosine 5'-(dihydrogen phosphate)
+CCNCCCC[C@@H](C(=O)O)N	LDH	n~6~-ethyl-l-lysine
+CC(C)C(=O)/N=C\1/NN=C(S1)[C@@H]2CCCO2	LDJ	2-methyl-n-{5-[(2s)-oxolan-2-yl]-1,3,4-thiadiazol-2(3h)-ylidene}propanamide
+C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O	LDK	(2~{s})-2-[[(2~{s})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid
+CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]	LDM	3-laurylamido-n,n'-dimethylpropylaminoxyde
+c1ccc2c(c1)c(ccn2)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6	LDN	4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
+C(CCO)C[C@@H](C(=O)O)N	LDO	6-hydroxy-l-norleucine
+c1cc(c(cc1CCN)O)O	LDP	l-dopamine
+C[C@@H]1C[C@@H]2[C@@H]3[C@H]1[C@H](CN2C)C4=CC=CC(=O)N4C3	LDQ	hosieine
+c1ccc2c(c1)-c3ccccc3NC2=O	LDR	phenanthridin-6(5h)-one
+CCOc1ccc(cc1)NC(=O)c2cnccn2	LDS	n-(4-ethoxyphenyl)pyrazine-2-carboxamide
+c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br	LDT	idd594
+C1[C@H]([C@H]([C@H](N1)CO)O)O	LDU	dideoxy-imino-lyxitol
+CC1CCN(CC1)Cc2c[nH]c3c2cccc3	LDV	3-[(4-methylpiperidin-1-yl)methyl]-1h-indole
+c1cc(ccc1Oc2ccc(nc2)N)F	LDW	5-(4-fluoranylphenoxy)pyridin-2-amine
+C1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O	LDY	alpha-d-lyxopyranose
+CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	LDZ	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(2s)-4-methyl-1-oxopentan-2-yl]-l-leucinamide
+CC(C)([C@@H](C(=O)O)N)S	LE1	3-sulfanyl-l-valine
+c1ccc(cc1)CCNC=S	LE2	n-(2-phenylethyl)thioformamide
+C[S@@](=O)CCCCNC=S	LE3	n-{4-[(r)-methylsulfinyl]butyl}thioformamide
+c1cnc(nc1CO)NC2CCCCCC2	LE4	[2-(cycloheptylamino)pyrimidin-4-yl]methanol
+CCCc1cc([nH]n1)C(=O)NCc2ccc(cc2)F	LE7	n-[(4-fluorophenyl)methyl]-3-propyl-1h-pyrazole-5-carboxamide
+CCCCC(=O)O	LEA	pentanoic acid
+CNCc1ccc2c(c1)c3ccc(cc3n2CC(F)(F)F)Br	LEB	1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{n}-methyl-methanamine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O	LEC	4-nitrophenyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
+C[C@H](C[C@@H](C(=O)O)N)C=O	LED	(4r)-5-oxo-l-leucine
+CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	LEE	l-gamma-glutamyl-s-hexyl-l-cysteinylglycine
+C[C@@H](C[C@@H](C(=O)O)N)CF	LEF	(4s)-5-fluoro-l-leucine
+CCCCCCc1ccc(cc1)C(=O)C=C	LEG	1-(4-hexylphenyl)prop-2-en-1-one
+CC(C)C[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1	LEH	n-[12-(1h-imidazol-1-yl)dodecanoyl]-l-leucine
+CC(C)([C@H](C(=O)O)N)S	LEI	3-sulfanyl-d-valine
+c1cc(ccc1CNC(=O)c2ccn(n2)C(F)F)F	LEJ	1-(difluoromethyl)-n-[(4-fluorophenyl)methyl]-1h-pyrazole-3-carboxamide
+CCn1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC	LEK	1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{n}-methyl-methanamine
+c1cnc(cc1C(=O)O)c2cn[nH]n2	LEL	2-(2h-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid
+CC(C)C[C@@H](C(=O)C)N	LEM	(3s)-3-amino-5-methylhexan-2-one
+CC(C)CCN	LEN	3-methylbutan-1-amine
+CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C	LEO	d-limonene 1,2-epoxide
+CC(C)C[C@@H](C(=O)N)NP(=O)(O)O	LEP	n~2~-phosphono-l-leucinamide
+CN1C=C(C=CC1=O)C(=O)N2CCc3c(ccs3)C2	LEQ	5-(6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one
+C([C@@H](C(=O)CO)O)O	LER	l-erythrulose
+c1cnc(nc1)N[C@H]2CCCCNC2	LES	(3s)-n-(pyrimidin-2-yl)azepan-3-amine
+C(CC/N=C(\CCC(=O)O)/COCC(=O)CCC(=O)O)C[C@@H](C(=O)O)N	LET	(z)-n^6-{3-carboxy-1-[(4-carboxy-2-oxobutoxy)methyl]propylidene}-l-lysine
+CC(C)C[C@@H](C(=O)O)N	LEU	leucine
+CC(C)C[C@@H](C(=O)[O-])[NH-]	LEU_LEO2	l-leucine c-terminal deprotonated fragment
+CC(C)C[C@@H](C(=O)O)[NH-]	LEU_LEO2H	l-leucine c-terminal protonated fragment
+CC(C)C[C@@H](C(=O)O)N	LEU_LFOH	l-leucine free neutral
+CC(C)C[C@@H](C(=O)[O-])[NH3+]	LEU_LFZW	l-leucine free zwitterion
+CC(C)C[C@@H]([C-]=O)[NH-]	LEU_LL	l-leucine - linking embedded fragment
+CC(C)C[C@@H]([C-]=O)[NH3+]	LEU_LSN3	l-leucine n-terminal protonated fragment
+COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4	LEV	4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide
+c1ccc2c(c1)cccc2c3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	LEW	1-beta-d-glucopyranosyl-4-naphthalen-1-yl-1h-1,2,3-triazole
+CC(C)C[C@@H](C(=O)CO)N	LEX	(3s)-3-amino-1-hydroxy-5-methylhexan-2-one
+CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F	LEY	n-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1h-imidazole-5-carboxamide
+c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NCc4cccc(c4)Cl	LEZ	~{n}-[(3-chlorophenyl)methyl]-1-(1~{h}-indol-3-ylmethyl)piperidin-4-amine
+Cc1c(c(c2ccccc2n1)c3ccc4c(c3)CCCO4)[C@@H](C(=O)O)OC(C)(C)C	LF0	(2s)-tert-butoxy[4-(3,4-dihydro-2h-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid
+C[C@@H]1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N(C(=O)N3C)C	LF1	n-[1,3-dimethyl-6-[(2r)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-2-methoxy-benzamide
+Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C	LF2	(2s)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid
+CC(C)c1cc([nH]n1)C(=O)NCc2ccc(cc2)F	LF4	n-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1h-pyrazole-5-carboxamide
+[H]/N=C(/c1cc2c(ccc(c2s1)OC(C)C)Cl)\N	LF5	4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
+CC1=N/C(=N/[C@@H]2CCC[C@H]2CO)/SN1	LF6	{(1r,2r)-2-[(z)-(3-methyl-1,2,4-thiadiazol-5(2h)-ylidene)amino]cyclopentyl}methanol
+[H]/N=C/[C@@H]1CCCN1C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O	LF7	2-{[(1r,3s,5r,7s)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2s)-2-[(e)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne
+Cc1ccc(cc1C)c2c(c(c(c(n2)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)C	LF8	(2s)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid
+Cc1c(c(c(nc1c2[nH]c3ccc(cc3n2)Cl)C)[C@@H](C(=O)O)OC(C)(C)C)c4ccccc4	LF9	(2s)-tert-butoxy[6-(5-chloro-1h-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
+CCCCCCCCCCCCCCCCCCCC	LFA	eicosane
+[H]/N=C(\c1cc2cccc(c2s1)OC)/N	LFB	7-methoxy-1-benzothiophene-2-carboximidamide
+C[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O	LFC	6-deoxy-l-galactonic acid
+c1cc(ccc1NC(=O)O[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)N4CCN(CC4)c5ccc(c(c5)Cl)Cl	LFD	(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate
+Cc1c(sc-2c1[C@@H](N[C@H](c3n2c(nn3)C)CC(=O)N[C@H]4COCCOCCOCC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)NCc6ccc(cc6OCCOCCOC4)c7c(ncs7)C)O)C(C)(C)C)c8ccc(cc8)Cl)C	LFE	~{n}-[(5~{s},7~{r},11~{s},23~{s})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{s},9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O)NC(=O)C	LFF	(2s)-3-[(r)-{(1r)-1-[(n-acetyl-l-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid
+C1CCCC(CC1)Nc2nnc(o2)C3CC3	LFG	n-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine
+C1NC[S]2[Fe]3([S-]1[Fe]2(C3=O)(C#N)(C#[O+])[S])(C#N)C#[O+]	LFH	dicarbonyl[bis(cyanide-kappac)]-mu-(iminodimethanethiolatato-1kappas:2kappas)-mu-(oxomethylidene)diiron(2+) sulphide
+CC(=O)N1CCN(CC=C1)C(=O)c2ccc3c(c2)OCO3	LFJ	1-[4-(2h-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1h-1,4-diazepin-1-yl]ethan-1-one
+c1cc(cc(c1)O)C(=O)Oc2cccc(c2)C(=O)O	LFK	3-(3-hydroxyphenyl)carbonyloxybenzoic acid
+c1cc(ccc1CNC(=O)c2cnn3c2OCCC3)F	LFM	n-[(4-fluorophenyl)methyl]-6,7-dihydro-5h-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C	LFN	lumiflavin
+CNC(=O)c1cn(c2c1cccc2)C	LFO	n,1-dimethyl-1h-indole-3-carboxamide
+Cn1c(c(cn1)C(=O)NCc2ccc(cc2)F)Cl	LFP	5-chloro-n-[(4-fluorophenyl)methyl]-1-methyl-1h-pyrazole-4-carboxamide
+[H]/N=C(/c1cc(c(s1)C)c2ccccc2)\N	LFQ	5-methyl-4-phenyl-thiophene-2-carboximidamide
+C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O)O	LFR	beta-l-fructofuranose
+CC(C)c1ccc(cc1)NC(=O)O[C@H](Cn2ccnc2)c3ccc(cc3)F	LFS	(1s)-1-(4-fluorophenyl)-2-(1h-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate
+CC(C)c1ccc(cc1)NC(=O)O[C@H](Cn2ccnc2)c3ccc(cc3)Cl	LFT	(1s)-1-(4-chlorophenyl)-2-(1h-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate
+c1cc(ccc1c2nnc(o2)c3ccc(cc3F)OCC(F)(F)F)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl	LFV	n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide
+Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)I	LFW	(3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate
+C[C@H]1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O	LFX	(3s)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
+CCn1cc(nc1)C(=O)NCc2ccc(cc2)F	LFY	1-ethyl-n-[(4-fluorophenyl)methyl]-1h-imidazole-4-carboxamide
+c1cc(ccc1CC(=O)O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F	LFZ	2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid
+c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N	LG	l-guanosine-5'-monophosphate
+COc1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCN(C3=O)c4ccc(cc4)C5(CC5)CN6CCCC6	LG0	1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+Cc1cc2c3cc(ccc3[n+](c-4c2c(c1)N(c5c4cc(cc5)F)C)C)F	LG1	3,11-difluoro-6,8,13-trimethyl-8h-quino[4,3,2-kl]acridin-13-ium
+Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(CCC2(C)C)(C)C	LG2	6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid
+c1cnc(nc1N)N	LG3	pyrimidine-2,4-diamine
+Cc1ccc(nc1)N	LG4	5-methylpyridin-2-amine
+CN1CC=CC(=C1)N	LG5	1-methyl-1,6-dihydropyridin-3-amine
+C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)OP(=O)(O)O	LG6	l-guluronic acid 6-phosphate
+c1ccc2c(c1)c(ccc2N3C(=O)[C@@H]4[C@@H](CCN4C3=O)O)C#N	LG7	4-[(7r,7as)-7-hydroxy-1,3-dioxotetrahydro-1h-pyrrolo[1,2-c]imidazol-2(3h)-yl]-1-naphthonitrile
+C[N+]1=CC(=C2C(=C3c4ccccc4[N+]5=C3C[C@@H](CC5)CN(C)C)C(=O)NC2=O)c6c1cccc6	LG8	3-(8-dimethylaminomethyl-6,7,8,9-tetrahydro-pyrido[1,2-a]indol-10-yl)-4-(1-methyl-1h-indol-3-yl)-pyrrole-2,5-dione
+C1[C@@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@H]2O)O)CO)CO)O	LG9	(1r,2r,3r,6r,7r,7ar)-3,7-bis(hydroxymethyl)hexahydro-1h-pyrrolizine-1,2,6-triol
+c1cnc(nc1)N	LGA	pyrimidin-2-amine
+Cc1c(ccc(c1Cl)C#N)/N=C\2/N3CC[C@@H]([C@H]3[C@@H](O2)C(F)(F)F)O	LGB	2-chloro-4-{[(1r,3z,7s,7as)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1h-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met hylbenzonitrile
+C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O	LGC	d-glucono-1,5-lactone
+c1cc2c(cc1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F	LGD	6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)quinolin-2(1h)-one
+Cc1c(c(c2c(n1)C(=O)N(C2)CC(=O)OC)c3ccc(cc3Cl)Cl)CN	LGE	methyl [3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl]acetate
+COc1c(cc2c(c[nH]c2n1)C(=O)C(=O)N3CC[C@H](C3)O)C(=O)N4CCn5c(cnc5c6ccc(cc6F)F)C4	LGF	1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{h}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{r})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione
+CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C	LGG	n-acetyl-l-alpha-glutamyl-l-phenylalanyl-l-glutaminyl-n-[(1s)-4-amino-1-(2-carboxyethyl)-4-oxobutyl]-l-leucinamide
+Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]	LGH	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
+CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)C5=NNC(=O)N5)C(F)(F)F	LGJ	n-(3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
+CS(=O)(=O)c1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C6=NNC(=O)N6)C3=O	LGK	6-(2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+c1ccc(c(c1)CN2CCCC2)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O	LGL	1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+Cc1c2c(n(n1)c3cccc(c3)C4=NNC(=O)N4)C(=O)N(CC2)c5ccc(cc5)c6ccccc6CN7CCCC7	LGM	3-methyl-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	LGN	n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->3)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
+c1nc2c(n1CO[C@@H](CO)COP(=O)(O)O)N=C(NC2=O)N	LGP	n9-1-hydroxy-prop-2-oxymethyl-guanine-3'-monophosphate
+c1ccc(cc1)c2nc(c3c(n2)[nH]nc3Nc4ccc(cc4)C(F)(F)F)N	LGQ	6-phenyl-~{n}3-[4-(trifluoromethyl)phenyl]-1~{h}-pyrazolo[3,4-d]pyrimidine-3,4-diamine
+CC(=O)N(C)c1ccccc1C(=O)O	LGR	2-[acetyl(methyl)amino]benzoic acid
+CCCCCCCC/N=C\1/N2[C@H](CO1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O	LGS	(3z,5s,6r,7s,8r,8ar)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
+[C@@H]([C@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O	LGT	l-glucaric acid
+[C@@H]1([C@@H]([C@@H](O[C@H]([C@H]1O)O)C(=O)O)O)O	LGU	alpha-l-gulopyranuronic acid
+c1cc2c(nc(nn2c1)CNC(=O)c3ccc(nc3)F)Nc4cc(n[nH]4)C5CC5	LGV	n-({4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide
+c1cc2c(nc(nn2c1)[C@@H]3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6	LGW	n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-{(2s)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
+c1cc2c(nc(nn2c1)[C@H]3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6	LGX	n-(5-cyclopropyl-1h-pyrazol-3-yl)-2-{(2r)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
+C(CC/N=C/CCC=O)C[C@@H](C(=O)O)N	LGY	(e)-n~6~-(4-oxobutylidene)-l-lysine
+c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@H]3c4ccccc4C[C@H]3OC(=O)N)Cc5ccccc5)O)NC(=O)OC6CCOC6	LGZ	carbamic acid 1-{5-benzyl-5-[2-hydroxy-4-phenyl-3-(tetrahydro-furan- 3-yloxycarbonylamino)-butyl]-4-oxo-4,5-dihydro-1h-pyrrol-3-yl}- indan-2-yl ester
+[H]/N=C(\c1ccc(cc1)NC[C@@H]2Cc3ccccc3B(O2)O)/N	LH2	4-[[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide
+COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccc(cc5)C(=O)OC	LH3	methyl 4-(2-{5-[(3as,4s,6ar)-2-oxo-hexahydro-1h- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate
+c1cc(c(c(c1)c2ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7	LH4	5-[(3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4- d]imidazolidin-4-yl]-n'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide
+[H]/N=C(/c1ccc(cc1OCc2cccnc2)[C@@H]3Cc4ccccc4B(O3)O)\N	LH5	4-[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
+Cc1c(cnn1[C@H]2CCS(=O)(=O)C2)C(=O)NCc3ccc(cc3)F	LH7	1-[(3s)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-n-[(4-fluorophenyl)methyl]-5-methyl-1h-pyrazole-4-carboxamide
+[H]/N=C(/c1ccc(cc1)[C@@H]2Cc3ccccc3B(O2)O)\N	LH8	4-[(3~{s})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide
+CCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO)O	LH9	[(2~{s})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate
+c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)N)N)NC(=O)[C@H](CCN)O)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N	LHA	doubly functionalized paromomycin pm-ii-162
+COCN1C=C(C(=NC1=O)N)CNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	LHB	5-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]methyl]-4-azanyl-1-(methoxymethyl)pyrimidin-2-one
+C1=CN(C(=O)N=C1N)CC[C@@H](C(=O)O)N	LHC	(2s)-2-amino-4-(4-amino-2-oxopyrimidin-1(2h)-yl)butanoic acid
+COCN1C=C(C(=NC1=O)N)C[NH2+]CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	LHD	2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]azanium
+CCC[C@@H](C(=O)O)NC[C@H]([C@H](CC(C)C)N)O	LHE	n-[(2r,3s)-3-amino-2-hydroxy-5-methylhexyl]-l-norvaline
+c1cc(ccc1OCCN2C=C(C(=NC2=O)N)CNCC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Br	LHF	5-[[2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC	LHG	1,2-dipalmitoyl-phosphatidyl-glycerole
+CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	LHH	[(2~{r},3~{r},4~{r},5~{r})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+C[C@@H](C(=O)NCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)[C@@H](C)O[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)CO)OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)NC(=O)C	LHI	[(2r,3r,4r,5s,6r)-4-[(2r)-1-[[(2s)-1-[2-[2-[2-[5-[(3as,4s,6ar)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-acetamido-5-[(2s,3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl] [oxidanyl(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate
+Cc1ccc(cc1C2=Cc3cnn(c3N(C2=O)C)c4ccc(cc4F)F)C(=O)NC5CC5	LHJ	n-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
+C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H](CC(=O)O)C(=O)O	LHK	(2~{s})-2-[[(2~{s})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid
+CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C	LHL	3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F	LHM	n-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
+Cc1ccc2c(c1)C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	LHO	2-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methylisoquinoline-1(2h)-thione
+CCC(=O)O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)C	LHP	(3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4=CCC=CCO4)O	LHQ	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate
+CC(=O)Nc1ccc2cn[nH]c2c1	LHR	n-(1h-indazol-6-yl)acetamide
+COCc1nc(no1)C(=O)NCc2ccc(cc2)F	LHS	n-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	LHT	hydrolysed ertapenem
+C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)O	LHU	l-uridine-5'-monophosphate
+CC(C)[C@@H](C(=O)O)O	LHV	(2s)-2-hydroxy-3-methylbutanoic acid
+O[Mo]123[O+]4[Mo]56(O[Mo]47(O[Mo]89([O+]1[Mo]1(O8)(O[Mo]48([O+]2[Mo](O4)(O5)(O[Mo]24(O6)([O+2]33[Mo](O7)(O9)(O2)(O[Mo]3(O8)(O1)(O4)O)O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O	LHW	mo(10)-o(35) cluster
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)NO	LHY	l-[(n-hydroxyamino)carbonyl]phenylalanine
+Cc1cnc(nc1c2cn3c(n2)C(=O)N([C@H](C3)COC)Cc4ccc(c(c4)F)F)Nc5ccnn5C	LHZ	(6~{r})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
+[Li+]	LI	lithium ion
+CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(CC4)(Cc5ccccc5)OC	LI0	4-(4-benzyl-4-methoxypiperidin-1-yl)-n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide
+CC(C)CCCCCCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C	LI1	1-[2,6,10.14-tetramethyl-hexadecan-16-yl]-2-[2,10,14-trimethylhexadecan-16-yl]glycerol
+c1cc2c(cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4)c(c[nH]2)CCc5ccncc5	LI2	3-fluoro-5-morpholin-4-yl-n-[3-(2-pyridin-4-ylethyl)-1h-indol-5-yl]benzamide
+c1cc2c(cc[nH]2)cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4	LI3	3-fluoro-n-1h-indol-5-yl-5-morpholin-4-ylbenzamide
+c1ccc2c(c1)cccc2COc3cccnc3N	LI4	3-(1-naphthylmethoxy)pyridin-2-amine
+CCC(=O)C(=O)C[C@H](CO[P@H](=O)O)O	LI5	2-hydroxy-4,5-dioxoheptyl hydrogen phosphonate
+CN1c2ccccc2C(=C(C1=O)O)O	LI6	3,4-dihydroxy-1-methylquinolin-2(1h)-one
+c1ccc2c(c1)/C(=N/c3ccc(cc3)O)/C(=O)N2	LI7	(3e)-3-[(4-hydroxyphenyl)imino]-1h-indol-2(3h)-one
+CC(C)(C(=O)N)C(=O)NCCCNc1c(cnc(n1)Nc2cccc(c2)NC(=O)N3CCCC3)Br	LI8	n-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide
+C[C@@H](c1ccccc1)Nc2nccc(n2)C3=C(C(=O)N(N3C)C4CCNCC4)c5ccc(cc5)F	LI9	4-(4-fluorophenyl)-1-methyl-5-(2-{[(1s)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3h-pyrazol-3-one
+COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F	LIA	(4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone
+C[C@@H](C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)Nc3ccccc3Cl	LIB	3-(2-chlorophenyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
+C[C@@H](C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)NCc3ccccc3Cl	LIC	3-(2-chlorobenzyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
+CCn1c2c(cnc(n2)Nc3c(cccc3F)F)nc1Nc4ccccc4Cl	LID	8-(2-chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9h-purine-1,7-diium
+CC(C)n1c2c(cnc(n2)Oc3c(cccc3F)F)nc1Nc4ccccc4F	LIE	2-(2,6-difluorophenoxy)-n-(2-fluorophenyl)-9-isopropyl-9h-purin-8-amine
+COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F	LIF	n-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-n'-[2-fluoro-5-(trifluoromethyl)phenyl]urea
+c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4	LIG	3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole
+Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4	LIH	6-([5-quinolylamino]methyl)-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
+Cc1c(cnc2c1c(nc(n2)N)N)\C=C/c3cc(ccc3OC)OC	LII	(z)-6-(2-[2,5-dimethoxyphenyl]ethen-1-yl)-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
+CCCC(CCC)S(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNCc2cccc(c2)OC)O)NC(=O)OCc3ccccc3	LIJ	benzyl [(1s)-2-({(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}amino)-2-oxo-1-{[(1-propylbutyl)sulfonyl]methyl}ethyl]carbamate
+CCCCC(=C)CCC(=C)CC(=O)O	LIK	3,6-bis(methylene)decanoic acid
+CCCCCCCCCCCC[C@@H](CC(=O)O)OC(=O)CCCCCCCCCCCC	LIL	2-tridecanoyloxy-pentadecanoic acid
+CCCCCCCCCCCCC(=O)CC(=O)O	LIM	3-oxo-pentadecanoic acid
+CC(=O)CC(=O)O	LIN	3-oxo-butyric acid
+CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	LIO	[1-pentadecanoyl-2-decanoyl-glycerol-3-yl]phosphonyl choline
+[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O	LIP	l-myo-inositol-1-phosphate
+CCCCCS(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNCc2cccc(c2)CC)O)NC(=O)c3cccnc3	LIQ	n-{(1s)-2-({(1s,2r)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}amino)-2-oxo-1-[(pentylsulfonyl)methyl]ethyl}nicotinamide
+CN1C(=O)c2c([n+](c([nH]2)N3CCC[C@@H](C3)N)Cc4ccccc4C#N)C1=O	LIR	2-[(3s)-3-aminopiperidin-1-yl]-1-(2-cyanobenzyl)-5-methyl-4,6-dioxo-3,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-1-ium
+C1[C@@H](O1)C[C@@H](C(=O)O)N	LIS	(2s,4s)-2-amino-4,5-epoxipentanoic acid
+c1cc(oc1c2nnc(o2)SCC(=O)O)[N+](=O)[O-]	LIT	{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid
+CC1(CCN(CC1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c(c3)[N+](=O)[O-])NC(C)(C)CSc4ccccc4)C	LIU	n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)N)O)O)N	LIV	(2r,3s,4s,5s,6r)-2-((2s,3s,4r,5r,6r)-5-amino-2-(aminomethyl)-6-((2r,3s,4r,5s)-5-((1r,2r,3s,5r,6s)-3,5-diamino-2-((2s,3r ,5s,6r)-3-amino-5-hydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-4-hydroxy-2-(hydroxymet hyl)-tetrahydrofuran-3-yloxy)-4-hydroxy-tetrahydro-2h-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2h-pyran-3,4,5-triol
+CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccccc6	LIW	4-[4-(biphenyl-2-ylmethyl)piperazin-1-yl]-n-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]benzamide
+CCc1c(c(nc(n1)N)NCCNS(=O)(=O)c2ccc3ccccc3c2)c4ccc5c(c4)N(C(=O)C(O5)(C)C)CCCOC	LIX	n-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl]pyrimidin-4-yl}amino)ethyl]naphthalene-2-sulfonamide
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N([C@@H](CC3)c4ccccc4)CCCOC	LIY	6-ethyl-5-[(2s)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
+c1cc(ccc1C[C@H](C[N@](CC(=O)O)[C@H]2CCCC[C@@H]2N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO	LIZ	n-{(1s,2s)-2-[bis(carboxymethyl)amino]cyclohexyl}-n-{(2r)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine
+Cc1cc(cc(c1O)C)\C=C\c2ccccc2	LJ1	2,6-dimethyl-4-[(e)-2-phenylethenyl]phenol
+c1ccc(cc1)\C=C\c2cc(c(c(c2)Br)O)Br	LJ2	2,6-dibromo-4-[(e)-2-phenylethenyl]phenol
+c1ccc(cc1)c2cc(c(c(c2)Br)O)Br	LJ3	3,5-dibromobiphenyl-4-ol
+c1ccc(cc1)Oc2cc(c(c(c2)Br)O)Br	LJ4	2,6-dibromo-4-phenoxyphenol
+c1ccc(cc1)C(=O)Nc2cc(c(c(c2)Br)O)Br	LJ5	n-(3,5-dibromo-4-hydroxyphenyl)benzamide
+Cc1c(c(on1)C)C[C@@H](C)C(=O)N(C)C	LJ6	(2r)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-n,n,2-trimethylpropanamide
+CC(C)n1ccc(n1)C(=O)NCc2ccc(cc2)F	LJ7	n-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1h-pyrazole-3-carboxamide
+C[C@@H](CCc1ccccc1)CCP(=O)(C[C@@H](CCC(=O)N)C(=O)O)O	LJ8	(2~{s})-5-azanyl-2-[[[(3~{s})-3-methyl-5-phenyl-pentyl]-oxidanyl-phosphoryl]methyl]-5-oxidanylidene-pentanoic acid
+CCc1c2ccc(cc2n(n1)c3ccccc3)N4C[C@H]5CNC[C@H]5C4	LJ9	3-ethyl-6-[(3ar,6as)-hexahydropyrrolo[3,4-c]pyrrol-2(1h)-yl]-1-phenyl-1h-indazole
+CC(=O)Nc1cccc(c1)NC(=O)N	LJA	n-[3-(carbamoylamino)phenyl]acetamide
+O[Mo]12[O+]3[Mo]4(O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O+]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O	LJB	mo(8)-o(26) cluster
+Cn1cc(cn1)C(=O)NCc2ccc(cc2)Cl	LJD	n-[(4-chlorophenyl)methyl]-1-methyl-1h-pyrazole-4-carboxamide
+Cc1cc(ccc1Oc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F	LJE	n-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide
+C=Nc1ncc(c(n1)c2cccnc2Oc3ccc(cc3)NC(=O)c4ccccc4Nc5ccccc5)F	LJF	n-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide
+CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(cc1)N)S(=O)(=O)c2ccc(cc2)N	LJG	n,n'-(iminodiethane-2,1-diyl)bis[4-amino-n-(2-methylpropyl)benzenesulfonamide]
+c1ccc(cc1)CN(CCNCCN(Cc2ccccc2)S(=O)(=O)c3ccc(cc3)N)S(=O)(=O)c4ccc(cc4)N	LJH	n,n'-(iminodiethane-2,1-diyl)bis(4-amino-n-benzylbenzenesulfonamide)
+Cc1nnc(o1)NC2CCCCCC2	LJJ	n-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine
+CCC(C)(C)NC(=O)c1cc(n[nH]1)C	LJK	3-methyl-n-(2-methylbutan-2-yl)-1h-pyrazole-5-carboxamide
+CCc1cnc(s1)C(=O)NCc2ccc(cc2)F	LJM	5-ethyl-n-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide
+CC(=O)NCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	LJN	[(2~{r},3~{s},4~{r},5~{r})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC1(Cc2c(c(sc2C(O1)(C)C)NC(=O)c3cc[nH]n3)C(=O)N)C	LJP	n-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5h-thieno[2,3-c]pyran-2-yl)-1h-pyrazole-3-carboxamide
+CNS(=O)(=O)CC1CCCCC1	LJR	1-cyclohexyl-n-methylmethanesulfonamide
+CC1=C(/C(=C\N=C(/C=C\CP(=O)(O)O)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	LJS	(2e,3z)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid
+COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4)CCO)Cl	LJT	2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
+Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C#N	LJV	6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile
+[H]/N=C(\c1cc2c(ccc(c2s1)OC(C)C)NC)/N	LJW	4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
+COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl	LJY	4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile
+c1cc(c(cc1)Cl)NC(=O)CCC(=O)/N=N/C=C2C=CC(=C/N=N/C(=O)CCC(=O)Nc3c(cccc3)Cl)C=C2	LJZ	4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(e)methylylidene(e)diazene-2,1-diyl]}bis[n-(2-chlorophenyl)-4-oxobutanamide]
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccc(cc2)c3cccnc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC	LK0	methyl n-[(2s)-1-[[(2s,3s,5s)-5-[[(2s)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O	LK1	n-[(6-butoxynaphthalen-2-yl)sulfonyl]-l-glutamic acid
+CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O	LK2	n-[(6-butoxynaphthalen-2-yl)sulfonyl]-d-glutamic acid
+CCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O	LK3	n-{[6-(pentyloxy)naphthalen-2-yl]sulfonyl}-d-glutamic acid
+c1cc(ccc1COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)C#N	LK4	n-({6-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid
+CCCCO[C@@H]1CCC[C@@H]2C1=C(N[C@@H]2[C@@H](CC)C=O)C(=O)O	LK5	(1s,4r,7ar)-4-butoxy-1-[(1r)-1-formylpropyl]-2,4,5,6,7,7a-hexahydro-1h-isoindole-3-carboxylic acid
+C[C@]1(CCS(=O)(=O)C1)NC(=O)C2CC2	LK6	n-[(3r)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide
+CC=C(C=O)[C@H]1[C@H]2CCC[C@@H](C2=C(N1)C(=O)O)OC	LK7	(1r,4s,7as)-1-(1-formylprop-1-en-1-yl)-4-methoxy-2,4,5,6,7,7a-hexahydro-1h-isoindole-3-carboxylic acid
+Cc1cc(c2cccc(c2n1)OCc3c(ccc(c3Cl)C(=O)N4CCC[C@H]4C(=O)NC)Cl)C(F)(F)F	LK8	(2~{s})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{n}-methyl-pyrrolidine-2-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)N)O)O)O)O	LKA	5-thio-alpha-d-mannopyranosylamine
+c1cc(cnc1)C(=O)Nc2c[nH]c3c2cc(cn3)c4ccc(cc4)C#N	LKB	~{n}-[5-(4-cyanophenyl)-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
+CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)O	LKC	4-amino-1-[(1s,3r,4r,7s)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]hept-3-yl]-5-methylpyrimidin-2(1h)-one
+CNC1CCC(CC1)N(Cc2cc(ccc2OC)c3ccncc3)C(=O)c4c(c5c(ccc(c5s4)F)F)Cl	LKD	3-chloro-4,7-difluoro-n-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-n-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)CN)CC(=O)O)N=[N+]=[N-]	LKE	2-[(4~{z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)C[C@H](C)OC	LKF	4-[3-[1-[(2s)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine
+c1ccc(cc1)c2ccc3nnc(n3n2)Cc4ccc(cc4)O	LKG	4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
+c1cc(ccc1/C=N/N2C(=NNC2=S)c3ccc(cc3)Cl)C(=O)O	LKH	4-[(~{e})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{h}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
+c1ccc(cc1)c2cccc(c2)CNC(=O)c3cc(cc(n3)C(=O)N4CCC[C@@H]4CN5CCCC5)c6cc(nc(c6)C(=O)N7CCC[C@@H]7Cn8cccc8)C(=O)N[C@H](C9CCCCC9)C(=O)O	LKJ	(2r)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2r)-2-(1h-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid
+CCC(CC)(C(=O)NCc1cn(nn1)Cc2ccc(cc2)Br)S(=O)(=O)O	LKK	3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid
+CN(CCO)c1c(cc(cn1)Cl)F	LKL	2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol
+c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O	LKM	n-({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic acid
+c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@H](C4CCC(CC4)O)O	LKP	trans-4-{(1r)-2-[(5s)-6-fluoro-5h-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol
+Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)c4cccnc4C)Nc5cn(nc5OC)C	LKQ	~{n}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{h}-indol-7-yl]-2-methyl-pyridine-3-carboxamide
+[H]/N=C(/Cc1ccccc1)\N[C@@H]2[C@H]([C@H]([C@@H]([C@H](S2)CO)O)O)O	LKS	n-[(1z)-2-phenylethanimidoyl]-5-thio-alpha-d-mannopyranosylamine
+c1cc(c(c(c1)Cl)C#N)N2CC[C@@H](C2)[C@H](CC#N)n3cc(cn3)c4c5cc[nH]c5ncn4	LKT	2-chloranyl-6-[(3~{s})-3-[(1~{s})-2-cyano-1-[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile
+Cc1ccc(cc1O)NC(=O)c2cccc(c2)F	LKU	3-fluoro-n-(3-hydroxy-4-methylphenyl)benzamide
+CCc1ccc(cc1)c2c3c(cc(nc3n[nH]2)c4ccc(cc4)C(=O)O)C(=O)O	LKW	6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{h}-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+Cc1c(cc(cc1NC(=O)c2cccc(c2)C#N)F)CN3CCN([C@H](C3)C)C(=O)C4CCCC4	LKY	3-cyano-n-(3-{[(3s)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide
+CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O	LKZ	3,5,7,9,11-pentakis(oxidanylidene)dodecanal
+c1ccc(c(c1)OC(F)F)S(=O)(=O)N	LL0	2-(difluoromethoxy)benzene-1-sulfonamide
+c1ccc2c(c1)c(n[nH]2)c3ccncc3	LL1	3-pyridin-4-yl-1h-indazole
+c1ccc(cc1)Cc2cnc(s2)N	LL2	5-benzyl-1,3-thiazol-2-amine
+c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4	LL3	2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone
+CC(C)CCC(=O)N1CCC(CC1)c2nc(no2)c3cccs3	LL4	4-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one
+CC(C)[C@@H](C(=O)N1CCC(CC1)c2nc(no2)c3cccs3)N	LL5	(2s)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one
+COc1cc(cc(c1OC)OC)NC(=O)CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc3ccccc3	LL7	(2~{s})-~{n}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(phenylmethyl)sulfonyl-piperidine-2-carboxamide
+CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC	LL8	1-(6-methoxynaphthalen-2-yl)butane-1,3-dione
+COc1ccc(cc1Cl)CNCCS(=O)(=O)O	LL9	2-[(3-chloro-4-methoxybenzyl)amino]ethanesulfonic acid
+c1ccc(cc1)C[C@@H](C(=O)O)O	LLA	l-2-hydroxy-3-phenyl-propionic acid
+CC1CCN(CC1)CCOc2ccc(cc2)C(=O)c3c4ccc(cc4sc3c5ccc(cc5)O)O	LLB	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone
+c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCC5)O	LLC	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
+c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCNC(=O)c3cccnc3	LLD	2-(pyridin-3-ylcarbonylamino)ethyl (2~{s})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate
+CC(=O)C/C(=C/C(=C/C(=C/C(=O)C[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)(O)O)O)/O)/O)/O	LLE	(2~{r})-3,3-dimethyl-2-oxidanyl-~{n}-[3-oxidanylidene-3-[2-[(1~{r},4~{z},6~{z},8~{z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C=NCC(F)F)O	LLF	(4-{(e)-[(2,2-difluoroethyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+c1ccc2c(c1)cccc2CC(=O)OCCN	LLG	2-aminoethyl naphthalen-1-ylacetate
+[C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O	LLH	(2r,3s,4r)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid
+COc1ccc(cc1OCCN2CCNC2=O)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5	LLI	(4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-methoxy-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
+c1cc2cc3c1ccc(c3)C[NH2+]CCOCC[NH2+]Cc4ccc5ccc(cc5c4)C[NH2+]CCOCC[NH2+]C2	LLJ	6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene
+C/C=C/C(=O)c1ccc2cc(ccc2c1)OC	LLK	(2e)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O	LLL	(2r,3r,4r,5r)-2-((1s,2s,3r,4s,6r)-4,6-diamino-3-((2r,3r,6s)-3-amino-6-(aminomethyl)-tetrahydro-2h-pyran-2-yloxy)-2-hydr oxycyclohexyloxy)-5-methyl-4-(methylamino)-tetrahydro-2h-pyran-3,5-diol
+C[C@@H]1C[C@@H]2CC=C[C@H](O2)C/C=C\C(=O)O[C@@H](C[C@H]3[C@@H](O3)[C@H](CC(=C)C1)O)[C@H](/C=C/[C@@H]4CC(=CCO4)C)O	LLM	laulimalide
+c1cc(c(cc1C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4)OCCN5CCNC5=O)OCCO	LLN	(4~{a}~{s},8~{a}~{r})-2-cycloheptyl-4-[4-(2-hydroxyethyloxy)-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
+C[C@@H](CC(C)(C)O)NCCCC[C@@H](C(=O)O)N	LLO	n~6~-[(1s)-3-hydroxy-1,3-dimethylbutyl]-l-lysine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCCC(C(=O)O)N)O	LLP	(2s)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid
+C([C@@H](CS(=O)(=O)O)O)O	LLQ	(2~{s})-2,3-bis(oxidanyl)propane-1-sulfonic acid
+Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O)[C@@H]4c5ccccc5C(=O)O4	LLS	(3~{s})-3-[1-[4,5-bis(chloranyl)-1~{h}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{h}-2-benzofuran-1-one
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O	LLT	l-deoxythymidine
+C[C@@H](C(=O)O)Oc1ccccc1F	LLU	(2s)-2-(2-fluorophenoxy)propanoic acid
+c1ccc(cc1)c2ccc(c(c2)NC(=O)c3ccccc3)N	LLX	n-(4-aminobiphenyl-3-yl)benzamide
+C(CCNC(C(=O)O)C(=O)O)C[C@@H](C(=O)O)N	LLY	nz-(dicarboxymethyl)lysine
+C[C@@H](CC(=O)c1ccc2cc(ccc2c1)OC)NCCCC[C@@H](C(=O)O)N	LLZ	n~6~-[(1s)-3-(6-methoxynaphthalen-2-yl)-1-methyl-3-oxopropyl]-l-lysine
+CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](N/C(=N\O)/[C@@H]([C@H]3O)O)CO)CO)CO	LM2	4'-o-methyl-maltosyl-alpha (1,4)-(z, 3s,4s,5r,6r)-3,4,5-trihydroxy-6-hydroxymethyl-piperidin-2-one
+CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4	LM3	n,n-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine
+CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccncc4	LM4	n,n-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine
+C[C@H]1[C@H]([C@H]([C@@H](N1)C(=O)NCc2ccccc2)O)O	LM5	(3s,4r,5s)-n-benzyl-3,4-dihydroxy-5-methyl-d-prolinamide
+CCn1c(ccn1)CNC	LM6	1-(1-ethyl-1h-pyrazol-5-yl)-n-methylmethanamine
+c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O	LM7	1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1h,3h)-dione
+CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)O	LM8	(5z,8z,11z,13s,14z)-13-methylicosa-5,8,11,14-tetraenoic acid
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]3C[C@@]([C@@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)[C@H](C)[C@@H](C)O)C)OC(=O)C)C)(C)O)C)C)OC	LMA	lankamycin
+CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@@H]([C@@H](C)CCC(=O)O)O	LMB	leptomycin b, bound form
+C/C(=C\C=O)/C=C/C=C/1\C(c2ccccc2N1C)(C)C	LMC	(2e,4e,6e)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)hexa-2,4-dienal
+CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LMD	tetradecyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+C[C@H](CC(=O)O)[C@@H](C(=O)O)N	LME	(2s,3r)-2-azanyl-3-methyl-pentanedioic acid
+CNC(=S)NCCCC[C@@H](C(=O)O)N	LMF	nz(n-methyl thioformamide) lysine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC	LMG	1,2-distearoyl-monogalactosyl-diglyceride
+C[C@@H](CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	LMH	glucosyl-dolichol phosphate
+CC1(c2c(c3cc(c(cc3[nH]2)Br)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	LMJ	(5as,12as,13as)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7 ,6-b]carbazol-14-one
+CCCCCCCCCCCCCCCCC[C@H](O)OC[C@H](COCC[C@H](C(=O)O)[N+](C)(C)C)O[C@@H](CCCCCCCCCCCCCCCCC)O	LMK	trimethyl-[(2~{r})-1-oxidanyl-1-oxidanylidene-4-[(2~{s})-2-[(1~{s})-1-oxidanyloctadecoxy]-3-[(1~{r})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium
+CC(C)CC(C(=O)O)C(=O)O	LML	isobutyl malonic acid
+Cc1csc2c1nc(nc2Nc3cn(cn3)C)N[C@@H](C)c4ncc(cn4)F	LMM	n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-n4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
+CCCCCCCCCCC(CCCCCCCCCC)(CO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O)O)CO[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O	LMN	lauryl maltose neopentyl glycol
+CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O	LMO	dodecyl 6-o-alpha-d-galactopyranosyl-beta-d-glucopyranoside
+C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C	LMP	(2~{s},3~{r},4~{s})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+C[C@@H](CC(=O)N)[C@@H](C(=O)O)N	LMQ	(3s)-3-methyl-l-glutamine
+C([C@@H](C(=O)O)O)C(=O)O	LMR	(2s)-2-hydroxybutanedioic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N	LMS	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl sulfamate
+CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LMT	dodecyl-beta-d-maltoside
+CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LMU	dodecyl-alpha-d-maltoside
+CC(C)CS(=O)(=O)NC(=O)c1ccc2c(c1)N(C[C@@H](O2)c3ccc(cc3Cl)Cl)CC4CCC4	LMV	(2~{s})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{n}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
+CCN(CCO)c1ccc(cc1)N	LMW	2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol
+Cc1c(ccc2c1cc(n2CC34CC(C3)(C4)NC=O)C#N)CN5CCC(CC5)Nc6c7cc(sc7nc(n6)NC)CC(F)(F)F	LMY	~{n}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide
+C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O	LMZ	5-nitroso-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione
+CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(=O)C	LN0	methyl 6,8-dideoxy-6-{[(4r)-1-methyl-4-propyl-l-prolyl]amino}-1-thio-d-glycero-alpha-d-galacto-octopyranosid-7-ulose
+C[C@](COC(=O)Cc1ccc(c(c1)O)O)([C@H](C(=O)O)Nc2c(cc3n2cccc3)C=O)[S@@](=O)O	LN1	(3r)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-n-(2-formylindolizin-3-yl)-3-sulfino-d-valine
+CN(c1ccc(cc1)NC(=O)Nc2cc(ccc2F)C(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N	LN4	1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea
+[H]/N=C(/CC)\NCCC[C@@H](C(=O)O)N	LN5	n5-(1-iminopropyl)-l-ornithine
+[H]/N=C(\CCCC)/NCCC[C@@H](C(=O)O)N	LN6	n~5~-[(1e)-pentanimidoyl]-l-ornithine
+CCCC[C@@H](N)NCCC[C@@H](C(=O)O)N	LN7	n~5~-[(1s)-1-aminopentyl]-l-ornithine
+C1CC2CCC1[NH2+][Pt]([NH2+]2)(Cl)Cl	LN8	kiteplatin
+CCCCC\C=C/C/C(=C\CCCCCCCC(=O)O)/[N+](=O)[O-]	LNA	(9e,12z)-10-nitrooctadeca-9,12-dienoic acid
+CCCCC\C=C(/C\C=C/CCCCCCCC(=O)O)\[N+](=O)[O-]	LNB	(9z,12e)-12-nitrooctadeca-9,12-dienoic acid
+c1c(c[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)CC[C@@H](C(=O)O)O	LNC	(3s)-5-(3-carboxy-3-hydroxypropyl) nicotinamide-adenine-dinucleotide
+c1c[n+](ccc1C(=O)N)CCCn2ccnc2/C=N/O	LND	4-carbamoyl-1-(3-{2-[(e)-(hydroxyimino)methyl]-1h-imidazol-1-yl}propyl)pyridin-1-ium
+CCNC(=O)[C@H](CC(C)C)N	LNE	n-ethyl-l-leucinamide
+CC(C)CCCCCCC/C=C\CC(=O)O	LNG	delta-3isotetradecenoic acid
+CC(=O)Nc1ccc2c(c1)c(cn2CCC(=O)O)c3cc(n4c(n3)c(cn4)C#N)NC5CC5	LNH	3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1h-indol-1-yl}propanoic acid
+COc1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N	LNJ	4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
+CCCCC	LNK	pentane
+CCC=CCC=CC\C=C/CCCCCCCC(=O)O	LNL	alpha-linolenic acid
+CC(C)C[C@@H](C(=O)NC)N	LNM	n-methyl-l-leucinamide
+c1ccc(cc1)c2cc(ccc2O)CC(=O)O	LNN	(6-hydroxybiphenyl-3-yl)acetic acid
+CC(C)C[C@@H](C(=O)NO)N	LNO	l-leucyl-hydroxylamine
+C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@H]3C2=CC[C@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C=C5CC5	LNP	(3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol
+CCCOCCOCCOCCCNC1=C(C(=O)C1=O)N	LNQ	3-amino-4-{3-[2-(2-propoxy-ethoxy)-ethoxy]-propylamino}-cyclobut-3-ene-1,2-dione
+c1cc(c(cc1[C@H](CN)O)O)O	LNR	l-norepinephrine
+CNC(=O)c1cccc(n1)C(=O)O	LNS	6-(methylcarbamoyl)pyridine-2-carboxylic acid
+C[C@H]([C@@H](C(=O)O)NC([C@H](CC(C)C)N)(O)O)O	LNT	n-[(2s)-2-amino-1,1-dihydroxy-4-methylpentyl]-l-threonine
+[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O	LNV	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-methyl-d-glycero-d-galacto-non-2-enonic acid
+c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O	LNW	2,2'-biphenyl-3,5-diyldiacetic acid
+c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O	LNX	2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid
+c1cc(sc1C#CCO)c2cc(cc(c2)CC(=O)O)CC(=O)O	LNY	2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid
+Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#CCO)OC	LNZ	5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-n-(methylsulfonyl)benzamide
+c1cc(ccc1CN)NC(=O)C(=O)O	LO1	[[4-(aminomethyl)phenyl]amino]oxo-acetic acid,
+CCCC[N@](Cc1cc(c(c(c1)Cl)OC)OC)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O	LO2	2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
+C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@]3(CO3)[C@H](C[C@@H]4CC=C[C@H](O4)C[C@H]([C@@H](/C=C(/C=C/C(=O)O2)\C)O)OC)OC)OC)OC)C)O)OC	LO3	(1s,3s,4s,5s,7r,8s,9r,12e,14e,16r,17r,19r)-16-hydroxy-9-{(1s,2s,3s)-2-hydroxy-5-[(2s,4r,6s)-4-methoxy-6-methyltetrahydro-2h-pyran-2-yl]-1,3-dimethylpentyl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11h-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one
+CC1(CCCCC1)COc2ccc(cc2)CC3=SC(=O)NC3=O	LO4	ciglitazone
+c1cc2c(cc1CNC[C@H]3CCCO3)OCO2	LO5	1-(1,3-benzodioxol-5-yl)-~{n}-[[(2~{r})-oxolan-2-yl]methyl]methanamine
+C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC(F)F	LO6	2-(difluoromethoxy)-1-[(2r,6s)-2,6-dimethylmorpholin-4-yl]ethan-1-one
+CCc1ccc(nc1)C(=O)COc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3	LO7	mitoglitazone
+C[C@]1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3	LO8	(2~{s})-2-methyl-4-(oxetan-3-yl)-~{n}-(phenylmethyl)piperazine-2-carboxamide
+C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C	LOA	(3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid
+C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O	LOB	lobeline
+CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	LOC	n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]ethanamide
+c1cc2c(cc1C(=O)O)N(C[C@@]3(CCc4c3ccc(c4)Cl)CO2)CC5CCC5	LOD	(3s)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2h-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid
+C1CCC2(CC1)OC[C@@H](O2)CN3CCCCC3	LOE	1-[[(3~{s})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine
+c1ccc(cc1)C[C@@H](C(=O)O)O	LOF	3-phenyl-lactic acid
+CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\O)CO)O)O	LOG	n-acetylglucosaminono-1,5-lactone (z)-oxime
+C(CN)[C@@H]([C@H]([C@@H](C(=O)O)N)O)O	LOH	3,4-dihydroxylysine
+Cc1csc(n1)NC(=O)c2cc(ccc2NC)Sc3nncn3C	LOI	2-(methylamino)-n-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4h-1,2,4-triazol-3-yl)sulfanyl]benzamide
+c1cc2c(cc1C(=O)O)N(C[C@@H](CO2)c3ccc(cc3Cl)Cl)CC4CCC4	LOJ	(3s)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid
+COC(=O)Nc1cccc(c1)NC(=O)OC	LOK	methyl ~{n}-[3-(methoxycarbonylamino)phenyl]carbamate
+CC(C)C[C@@H](C(O)O)N	LOL	(2s)-2-amino-4-methylpentane-1,1-diol
+c1cscn1	LOM	thiazole
+CN[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	LON	(7s)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5h-benzo[a]heptalen-9-one
+CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC	LOP	(1r)-2-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(dodecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate
+Cc1ccc(cc1)N2C(=O)CCC2=O	LOQ	1-(4-methylphenyl)pyrrolidine-2,5-dione
+c1ccc(cc1)[C@H](C(=O)N[C@H](C=O)[C@H]2CCC(C(=N2)C(=O)O)Cl)N	LOR	loracabef (open form)
+c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=C(C=CC=C6)C7=CC=CC=[N]37	LOS	lambda-bis(2,2'-bipyridine)imidazole osmium (ii)
+c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O	LOT	6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide
+C1C[C@@]2([C@H]3[C@@H]([C@H]1O2)C(=O)N(C3=O)CC(=O)O)C[C@@H](C(=O)O)N	LOU	3-[(3ar,4s,7s,7as)-2-(carboxymethyl)-1,3-dioxooctahydro-4h-4,7-epoxyisoindol-4-yl]-l-alanine
+CC(C)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)O)O)N	LOV	5-amino-4-hydroxy-2-isopropyl-7-methyl-octanoic acid
+C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)N	LOW	(5~{s},7~{r})-3-azanyladamantan-1-ol
+C1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O	LOX	(2z,3s,4s,5r)-2-hydroxyiminopiperidine-3,4,5-triol
+CC(C)(COP(=O)=O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H]4CCCN4)O	LOY	5'-deoxy-5'-[({(2r)-2-({2-[(n-{(2r)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2r)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine
+c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCN	LOZ	5-[[(1s,2r)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
+B(CNC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)(O)OP(=O)(O)O	LP0	(7z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid
+CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O	LP1	4-[2-(2-acetylamino-3-naphtalen-1-yl-propionylamino)-4-methyl-pentanoylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(1-carbamoyl-2-naphthalen-1-yl-ethylcarbamoyl)-propyl]-amide
+CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O	LP2	n2-[[[3-naphtyl-n-methylcarbonyl-alaninyl-valinyl]-amino-[1-[2-methyl-propanyl]-2-hydroxy-propan-3-yl]-carbonyl]-3-methyl-alanyl]-3-naphtyl-alanyl-amine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O	LP3	(7r)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide
+CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	LP4	2-deoxy-3-o-[(3r)-3-hydroxytetradecanoyl]-2-{[(3r)-3-hydroxytetradecanoyl]amino}-4-o-phosphono-beta-d-glucopyranose
+CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	LP5	(r)-((2r,3s,4r,5r,6r)-3-hydroxy-2-(hydroxymethyl)-5-((r)-3-hydroxytetradecanamido)-6-(phosphonooxy)tetrahydro-2h-pyran-4-yl) 3-hydroxytetradecanoate
+C1CCN(CC1)CCCC[C@@H](C(=O)O)N	LP6	6-piperidin-1-yl-l-norleucine
+CCOC(=O)[C@H]1C(c2cccnc2N(C1=O)O)O	LP7	ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
+c1cc2c(nc1)N(C(=O)C(=C2O)C3CCCC3)O	LP8	3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1h)-one
+CCN(CC)c1ccc(cc1)Oc2cc3c(nc2)N(C(=O)C(=C3O)C(=O)OCC)O	LP9	3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium
+C1CSS[C@@H]1CCCCC(=O)O	LPA	lipoic acid
+C1CSS[C@H]1CCCCC(=O)O	LPB	5-[(3s)-1,2-dithiolan-3-yl]pentanoic acid
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O	LPC	[1-myristoyl-glycerol-3-yl]phosphonylcholine
+C1C[C@H](NC1)C(=O)N	LPD	l-prolinamide
+CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O	LPE	1-o-octadecyl-sn-glycero-3-phosphocholine
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F)NC(=O)C	LPF	1,1,1-trifluoro-3-((n-acetyl)-l-leucylamido)-4-phenyl-butan-2-one(n-acetyl-l-leucyl-l-phenylalanyl trifluoromethyl ketone)
+C#C[C@@H](C(=O)O)N	LPG	(2s)-2-aminobut-3-ynoic acid
+C#CC[C@@H](C(=O)O)N	LPH	l-propargylglycine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCSC)C(=O)O)O	LPI	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-methionine
+S1[Fe][S]2[Fe]1S[Fe]2[S]3[Fe]4S[Fe]5[S]4[Fe]3S5	LPJ	fe(6)-s(7) cluster
+C([C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O	LPK	l-psicose
+CC(C)C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O	LPL	leu-hydroxyethylene-leu
+C(CCC(=O)N)C[C@H](CCS)S	LPM	6,8-dimercapto-octanoic acid amide
+Cc1cc(c(c(c1)Cl)OCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCCOC)C5CC5)Cl	LPN	(3r,4s)-n-[2-chloro-5-(3-methoxypropyl)benzyl]-n-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide
+Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@]3(CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl	LPO	(3s,4r)-n-[2-chloro-5-(2-methoxyethyl)benzyl]-n-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC	LPP	2-(hexadecanoyloxy)-1-[(phosphonooxy)methyl]ethyl hexadecanoate
+Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6)Cl	LPQ	(3r,4s)-n-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-n-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide
+c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O	LPR	[n2-[(s)-1-carboxy-3-phenylpropyl]-l-lysyl-l-proline
+CCCCCCCCCCCCCCC(O)OC[C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O	LPS	o-{hydroxy[((2r)-2-hydroxy-3-{[(1s)-1-hydroxypentadecyl]oxy}propyl)oxy]phosphoryl}-l-serine
+C1CCC(CC1)[NH2][Pt+2][NH3]	LPT	cis-(ammine)(cyclohexylamine)platinum(ii) complex
+CS(=O)(=O)N1CCC(CC1)O	LPU	1-(methanesulfonyl)piperidin-4-ol
+COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)NO	LPW	2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{n}-oxidanyl-ethanamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCN)O	LPX	(2s)-3-{[(r)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate
+CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)O	LPY	(2r)-2-hydroxy-3-{[(s)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl tridecanoate
+Cc1ccc(cc1)OCC(=O)N2CC[NH+](CC2)C	LPZ	2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
+c1cc(ccc1C(=O)N)C(=O)O	LQ2	4-aminocarbonylbenzoic acid
+C1=CC(=O)N=CC1OC(F)F	LQ3	(5s)-5-(difluoromethoxy)pyridin-2(5h)-one
+COc1cc(cc(c1OC)OC)/C=C/C(=O)N2CCC=CC2=O	LQ4	piperlongumine
+CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3ccc(cc3)Oc4ccnc(n4)N	LQ5	1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
+Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN)Cc3cccs3	LQ7	n-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-n-[(thiophen-2-yl)methyl]benzamide
+c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5CCCC[C@@H]5C(=O)O)OCCO	LQ8	(1~{s},2~{r})-2-[[(1~{s})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid
+[H]/N=C\1/C(=C(C=C2N1CCc3c2cc4c(c3)OCO4)c5ccc(c(c5)OC)OC(C)C)C#N	LQA	4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile
+Cc1cc(n(n1)c2cc(ccc2[N+](=O)[O-])N3CCc4ccccc4C3)C	LQB	2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1h-isoquinoline
+Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4ccccc4OC	LQD	(3r,4s)-1-[(2-methoxyphenyl)methyl]-n,n-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
+CN1C[C@H](C[C@@H]2[C@@H]1Cc3cccc(c3C2)OC)Cc4cccc(c4)OC	LQE	(3r,4as,10as)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2h-benzo[g]quinoline
+c1ccc(cc1)CN2CCc3c(c4nncn4c(c3C#N)NCc5ccco5)C2	LQF	5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7h-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
+c1cc(oc1)CNc2c(ccc3n2cnn3)C#N	LQG	5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
+c1ccc2c(c1)C=C(N3C2=NCC3)c4ccccc4F	LQH	5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
+CC1CCN(CC1)C(=O)c2cc3ccccc3o2	LQI	(1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H]([C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N	LQJ	3'-o-[(r)-{[(2s,3as,4s,6s,6as)-6-(6-amino-9h-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2h-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine
+c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5CC[C@@H]5C(=O)N)OCCO	LQK	(1~{s},2~{r})-2-[[(1~{s})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{h}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide
+c1ccc(c(c1)C(=O)Nc2cccc(c2)c3ccc(cc3)C(F)(F)F)[SeH]	LQN	2-selanyl-~{n}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide
+C1C[C@@H]2CN(C[C@@H]2C1)C(=O)COC(F)F	LQP	2-(difluoromethoxy)-1-[(3ar,6as)-hexahydrocyclopenta[c]pyrrol-2(1h)-yl]ethan-1-one
+CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C	LQQ	6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7(8h)-one
+CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N	LQT	2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide
+Cc1ccc(nc1)NC(=O)[C@@H]2CCCO2	LQV	(2s)-n-(5-methylpyridin-2-yl)oxolane-2-carboxamide
+c1ccc(c(c1)C(=O)NCc2ccc(cc2)Cl)[SeH]	LQW	~{n}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide
+COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)N)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5	LQY	n-(2-amino-2-oxoethyl)-5'-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide
+CCN(CC)CC(=O)Nc1c(cccc1C)C	LQZ	2-(diethylamino)-n-(2,6-dimethylphenyl)ethanamide
+c1cc(ccc1CN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)Br	LR1	(1r,2s,3s,4r,5r)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol
+c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH]	LR2	~{n}-pyridin-2-yl-2-selanyl-benzamide
+c1cc(ccc1C(=O)N)C(F)(F)F	LR5	4-(trifluoromethyl)benzamide
+C#CCCCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	LR7	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r},6~{r})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
+c1cc(ncc1C(=O)N)N2CCOCC2	LR8	6-morpholin-4-ylpyridine-3-carboxamide
+CCN(C)C(=O)c1cccc(c1)N	LR9	3-amino-n-ethyl-n-methylbenzamide
+CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3	LRB	lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c9-adamantane ruthenium (ii)
+c1ccc(c(c1)/C(=C/2\C=CC(=O)C(=C2)Cl)/c3ccc(c(c3)Cl)O)S(=O)(=O)O	LRD	2-[(e)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
+Cc1c(c(sn1)N(C)CC(=O)N)C#N	LRF	n~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-n~2~-methylglycinamide
+c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c3ccccc3	LRG	(2s)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
+C[C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O	LRH	6-deoxy-beta-l-fructofuranose
+c1cc(sc1)CN(c2cc(nc(n2)N)Cl)C3CC3	LRI	6-chloro-n~4~-cyclopropyl-n~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine
+C(CCN[C@H](CO)C(=O)[C@@H](COP(=O)(O)O)O)C[C@@H](C(=O)O)N	LRK	(2s)-2-azanyl-6-[[(2r,4r)-1,4-bis(oxidanyl)-3-oxidanylidene-5-phosphonooxy-pentan-2-yl]amino]hexanoic acid
+C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N(C)C)OC)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)N(C1=O)C)OC)O)O)O	LRM	2-amino-9-[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(s)-({(2r,3r,4r,5r)-3-{[(r)-{[(2r,3r,4r,5r)-3-{[(s)-{[(2r,3r,4r,5r)-5-(4-amino-2-oxopyrimidin-1(2h)-yl)-3-{[(s)-hydroxy{[(2r,3r,4r,5r)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9h-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9h-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3h-purin-7-ium
+Cc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O	LRO	5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N(C)C)OC)O)O)O	LRP	2-amino-9-[(2r,3r,4s,5r)-5-({[(r)-{[(s)-{[(r)-({(2r,3r,4r,5r)-5-[6-(dimethylamino)-9h-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1h-purin-7-ium
+CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F	LRQ	bridged tetracyclic indole
+c1ccc(cc1)CCCC(=O)N2CCOCC2	LRR	1-(morpholin-4-yl)-4-phenylbutan-1-one
+Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC(=O)c5cnn6c5nccc6	LRS	n-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1h-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3	LRT	5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine
+c1cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=[N]2C=CC=C5)[N]6=CC=CC=C6C7=CC=CC=[N]37	LRU	lambda-bis(2,2'-bipyridine)imidazole ruthenium (ii)
+C[C@@H]1C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C@@]1(C3)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@H](C([C@@H](C(O6)CO)O)O)O)OC7[C@H]([C@H]([C@H]([C@@H](O7)CO)O)O)O)(CCC[C@@]4(C)C(=O)O)C	LRV	(8alpha,9beta,10alpha,13alpha)-13-{[alpha-l-allopyranosyl-(1->2)-[beta-d-mannopyranosyl-(1->3)]-beta-d-allopyranosyl]oxy}kauran-18-oic acid
+c1cc(cc(c1)C(F)(F)F)/C=C/C(=O)O	LRW	(~{e})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
+CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	LRY	n-acetylmannosamine-6-phosphate
+[H]/N=C(\NCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	LRZ	methyl 6-[3-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+CNS(=O)(=O)c1ccc(cc1)N\C=C/2\c3ccccc3NC2=O	LS1	n-methyl-4-{[(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}benzenesulfonamide
+CNS(=O)(=O)Cc1ccc(cc1)NN=C2c3c(ccc4c3scn4)NC2=O	LS2	n-methyl-{4-[2-(7-oxo-6,7-dihydro-8h-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide
+c1cc2c(cc1c3cnco3)C(=CNc4ccc5c(c4)CS(=O)(=O)C5)C(=O)N2	LS3	3-{[(2,2-dioxido-1,3-dihydro-2-benzothien-5-yl)amino]methylene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2h-indol-2-one
+c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)/C(=O)N2	LS4	4-{[(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]amino}-n-(1,3-thiazol-2-yl)benzenesulfonamide
+c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)NC(=N)N)/C(=O)N2	LS5	3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1h-indole
+c1ccc(cc1)CCN2CCC(CC2)/C=C/C(=O)NO	LS6	(2e)-n-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
+CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)C	LS7	n-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC1=Cc2cc(ccc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3OC)C#N	LS8	4-cyano-~{n}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide
+c1ccc2c(c1)C(=O)NS2(=O)=O	LSA	1,2-benzisothiazol-3(2h)-one 1,1-dioxide
+CC[C@H]([C@H]([C@@H](C)CC1([C@H](O1)CC[C@@]2([C@H](O2)C)CC)CC)O)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C	LSB	(4r,5s)-3-[(2r,3s,4s)-2-ethyl-5-[(3r)-2-ethyl-3-[2-[(2r,3r)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O	LSC	(4r,7r,18e)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide
+CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCc3ccc(c(c3C(=O)O)O)C)O	LSD	lasalocid a
+C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O	LSE	2-(trimethylsilyl)ethyl 4-o-beta-d-galactopyranosyl-6-se-methyl-6-seleno-beta-d-glucopyranoside
+CC(=O)c1cc(c(n1C)Nc2ccc(cc2F)I)C(=O)NOCCO	LSG	5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-1-methyl-1h-pyrrole-3-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=O)(=O)N3)COP(=O)(O)O)O	LSH	[(1r,5r,7r,8s)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate
+CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC(=O)C34C5[Ru]3678923(C5C6C74)C4C8C9C2C34)SC1)C(=O)O	LSI	ruthenocenyl-7-aminodesacetoxycephalosporanic acid
+CC/C(=C/1\c2ccccc2OCc3c1c(ccc3)OC)/c4cccc(c4)NS(=O)(=O)C	LSJ	n-{3-[(1z)-1-(10-methoxydibenzo[b,e]oxepin-11(6h)-ylidene)propyl]phenyl}methanesulfonamide
+[H]/N=C(/NCCCCCNC(=O)Nc1ccc2cc(cc(c2c1)O)C(=O)OC)\NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	LSK	methyl 6-[5-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
+c1cc(ccc1CNCc2ccsc2)C(=O)NO	LSL	n-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
+CCCCCCCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	LSM	dodecyl 4-o-alpha-d-glucopyranosyl-1-seleno-beta-d-glucopyranoside
+CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl	LSN	[2-butyl-5-chloranyl-3-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
+C(CC/N=C(\CCC(=O)O)/CS(=O)(=O)CC(=O)CCC(=O)O)C[C@@H](C(=O)O)N	LSO	(z)-n~6~-(3-carboxy-1-{[(4-carboxy-2-oxobutyl)sulfonyl]methyl}propylidene)-l-lysine
+CC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[NH3+])O	LSP	(7s)-4,7-dihydroxy-10-oxo-3,5,9-trioxa-4-phosphaundecan-1-aminium 4-oxide
+c1cc(cc(c1)Cl)CCC(=O)O	LSQ	3-(3-chlorophenyl)propanoic acid
+C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C	LSR	1,3,3-trimethyl-2-[(1e,3e)-3-methylpenta-1,3-dien-1-yl]cyclohexene
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	LSS	5'-o-(l-leucylsulfamoyl)adenosine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=O)(=O)N3C)COP(=O)(O)O)O	LST	[(1r,5r,7r,8s)-2-methyl-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N	LSU	5'-o-(n-(l-leucyl)-sulfamoyl)uridine
+C[C@@]1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)CO	LSV	n-[(2r)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O	LSW	n~2~-[(1s)-1-carboxy-3-phenylpropyl]-l-lysyl-l-tryptophan
+CN(C(=O)CC[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O	LSX	[(1s)-4-[hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid
+CN(C)C(=O)NNC(=O)N(C)C	LSY	n~1~,n~1~,n~2~,n~2~-tetramethylhydrazine-1,2-dicarboxamide
+CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccc(o3)CN4CCN(CC4)C)c5ccn(n5)C)C(=O)C	LSZ	~{n}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
+c1ccc(cc1)CCCCl	LT1	(3-chloropropyl)benzene
+C1[C@H](C2=CC(=O)C(=O)C=C2N1)O	LT2	(3s)-3-hydroxy-2,3-dihydro-1h-indole-5,6-dione
+c1cc2c(c(c1)C(F)(F)F)[C@H]3CC[C@@H]2[C@@H]3N	LT3	(1s,4r,9s)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine
+c1cc(c(cc1[C@H](CN)O)O)O	LT4	norepinephrine
+c1cc(cc(c1)C(F)(F)F)[C@H](CN)O	LT5	(1r)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
+CCCCN(C)C(=O)c1c(cccc1F)OCC(=O)N[C@@H](Cc2ccccc2)CO	LT6	2-(2-{[(1s)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-n-butyl-6-fluoro-n-methylbenzamide
+Cc1ccc(cc1)c2nc(on2)CNC(C)C	LT7	~{n}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
+c1ccc(c(c1)C(=O)O)n2cccn2	LT8	2-pyrazol-1-ylbenzoic acid
+CCOC(=O)C[C@@H]([C@H](CCCCN)N)O	LTA	4,8-diamino-3-hydroxy-octanoic acid ethyl ester
+CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O	LTB	leukotriene b4
+CCCCCCCC=CCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)N)O)NC(=O)C)O)COC(=O)CCCCCC	LTC	(2s)-1-({3-o-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-d-galactopyranosyl]-alpha-d-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7z)-pentadec-7-enoate
+CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N	LTD	(5~{s},6~{r},7~{e},9~{e},11~{z},14~{z})-6-[(2~{r})-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
+[H]/N=C(\NCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)/NCCC[C@@H](C=O)N	LTE	1-[3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{s})-4-azanyl-5-oxidanylidene-pentyl]guanidine
+CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)NO	LTF	(4r)-2-(3,4-dimethoxy-5-propylphenyl)-n-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
+C([C@@H]([C@H]([C@H](C(=O)CO)O)O)O)O	LTG	l-tagatose
+C([C@@H]([C@H](C(=O)O)O)O)O	LTH	(2r,3s)-2,3,4-trihydroxybutanoic acid
+c1ccc2c(c1)CCCC[C@H]2SC3=C(/C(=N/C(=O)N)/SN3)C(=O)N	LTI	(5z)-5-(carbamoylimino)-3-[(5r)-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide
+C/C=C/C(=O)N[C@H]1CCCN(C1)c2c(cc(c3c2c(c([nH]3)C)C)C(=O)N)F	LTJ	4-[(3s)-3-{[(2e)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1h-indole-7-carboxamide
+Cc1c2cc(ccc2sc1S(=O)(=O)Nc3cccc(c3)CN)Cl	LTK	~{n}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide
+CCC(=O)CCC(C)(C)O	LTL	6-hydroxy-6-methyl-heptan-3-one
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)CO)O)O	LTM	n-acetyl gluconolactam
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N	LTN	l-tryptophanamide
+c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)/C=C/C(=O)NO	LTO	(2e)-n-hydroxy-3-{1-[2-(1h-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide
+C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O)O	LTP	4-amino-1-{2-deoxy-5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-beta-l-erythro-pentofuranosyl}pyrimidin-2(1h)-one
+Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N3CSC[C@@H]3C(=O)NO)C#N	LTQ	(4s)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-n-hydroxy-1,3-thiazolidine-4-carboxamide
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N	LTR	l-tryptophan
+c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CN/C(=N\C#N)/Nc3ccncc3)OC(F)(F)F	LTS	2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine
+C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N	LTT	4-amino-1-[(2s,4s)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2(1h)-one
+CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)O	LTV	2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate
+CC(=O)c1ccc(c(c1)NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)c4ccn(n4)C)OCCN5CC6(C5)COC6	LTW	~{n}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
+CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	LTX	(5~{s},6~{r},7~{e},9~{e},11~{z},14~{z})-6-[(2~{r})-2-[[(4~{s})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-( 2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
+c1cc2cc(c(cc2nc1)N3CCC(CC3)CN)NC(=O)c4cnn5c4nccc5	LTY	n-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+CC[C@@H]1CC[C@H](N1C(=O)C2=C(N3[C@@H]([C@](N=C3S2)(C)c4ccc(cc4)Cl)c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN([C@@H](C6)C)C(=O)C	LTZ	(5r,6s)-2-[((2s,5r)-2-{[(3r)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
+[Lu+3]	LU	lutetium (iii) ion
+CC(C)C[C@@H](C(=O)O)NS(=O)(=O)N	LU0	sulphamoil leucine
+Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O	LU1	4'-fluoro-4,5-dihydroxy-n-{(2e)-3-[(2s,4r,5r)-4-hydroxy-5-(6-methyl-9h-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide
+c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O	LU2	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4h-chromen-4-one
+Cc1cc2c(cccc2NC(=O)c3cc(cc(c3)NC(=O)c4ccco4)NC(=O)C)nn1	LU5	~{n}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@H](CC(=O)N)NC(=O)Cc1ccc(cc1O)O)N	LU7	n~1~-{5-[(3-{[3-(l-arginylamino)propyl]amino}propyl)amino]pentyl}-n~2~-[(2,4-dihydroxyphenyl)acetyl]-l-aspartamide
+Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCN(CC4)C	LU8	4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
+CCC[C@H]1C(=C(CO1)CO)C(=O)O	LUB	4-(hydroxymethyl)-2-propylfuran-3-carboxylic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C(N3C2=O)C(=O)NC(=N4)N	LUD	n-{4-[(6ar)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9h)-yl]benzene-1-carbonyl}-l-glutamic acid
+Cc1nc(c2n1ccc(c2)Nc3nccc(n3)c4cc(n(n4)C)CN(C)C)c5nnc(o5)C	LUE	~{n}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine
+CC1=C(C(CCC1)(C)C)CC/C(=C/CC/C(=C/CCC2=CC(=O)O[C@@H]2O)/C)/C	LUF	(5s)-4-[(3e,7e)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5h)-one
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o3)NCCN	LUG	n-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\OC[C@H]2C(=O)N[C@H](C(=O)N2)CON)O	LUH	[4-[(~{z})-[(2~{s},5~{s})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
+CC(C)CN1C(=C(c2cc(ccc2C1=O)OCC(=O)N)c3ccccc3)CN	LUI	2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide
+CCC[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)N)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N)N)CO	LUJ	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-d-glucopyranoside
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\OC[C@@H]2C(=O)N[C@@H](C(=O)N2)CON)O	LUK	[4-[(~{z})-[(2~{r},5~{r})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
+Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3	LUM	lumichrome
+c1ccc2c(c1)[C@@]3(CC[N@](C3)[C@@H]4CCCNC4)CN2C(=O)c5cc6cc(ccc6[nH]5)F	LUN	(5-fluoro-1h-indol-2-yl)[(3r)-1'-[(3r)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2h)-yl]methanone
+Cc1ccccc1n2c3c(cn2)C(=O)NC(=N3)N[C@@H](C)C(=O)Nc4ccc(cc4)OC	LUO	n-(4-methoxyphenyl)-n~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl]-l-alaninamide
+c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)NCCCC(F)(F)F)C4CC4	LUP	5-cyclopropyl-n-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide
+C(CS(=O)(=O)O)NCC(=O)N	LUQ	n-(2-acetamido)-2-aminoethanesulfonic acid
+Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F	LUR	{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid
+CCC1CCC(CC1)N2CCOCC2	LUS	4-(4-ethylcyclohexyl)morpholine
+CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(=C[C@@H](CC2(C)C)O)C)\C)\C	LUT	(3r,3'r,6s)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol
+c1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccccc5	LUV	(3as,4s,6ar)-2-oxo-hexahydro-1h-thieno[3,4- d]imidazolidin-4-yl]-n-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide
+c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc(nc3O)n4cccn4	LUW	4-oxidanyl-~{n}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide
+CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2(C)C)O)C	LUX	(3r,3'r,6's,9r,9'r,13r,13's)-4',5'-didehydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-beta,beta-carotene-3,3'-diol
+c1ccc(cc1)CCNc2[nH]c3ccccc3n2	LUY	~{n}-(2-phenylethyl)-1~{h}-benzimidazol-2-amine
+c1cnc2c(n1)C(=O)NC(=O)N2	LUZ	pteridine-2,4(1h,3h)-dione
+c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)F	LV1	1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea
+CN(C)C1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	LV2	[(2~{r},3~{s},4~{r},5~{r})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc(c(c1)NC(=S)N)OC(F)(F)F	LV4	1-[2-(trifluoromethyloxy)phenyl]thiourea
+c1cc(c(cc1N)Cl)Cl	LV5	3,4-dichloroaniline
+CC(=O)Nc1ccccc1C(=O)NN	LV7	~{n}-[2-(aminocarbamoyl)phenyl]ethanamide
+CC(=O)NC[C@@H](C(=O)O)N	LV8	(2~{s})-3-acetamido-2-azanyl-propanoic acid
+CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C	LVA	(3r,5r)-7-((1r,2r,6s,8r,8as)-2,6-dimethyl-8-{[(2r)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoic acid
+Cc1ccc(cc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])O	LVB	3-deoxytolcapone
+c1ccc(cc1)CONC(=O)N	LVD	1-phenylmethoxyurea
+Cc1ccc(cc1)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-]	LVE	3-o-methyltolcapone
+C=C[C@@H](C(=O)O)N	LVG	l-vinylglycine
+C[C@@H]1Cc2c3ccccc3[nH]c2[C@@](N1CC(C)(C)F)(C)c4c(cc(cc4F)/C=C/C(=O)O)F	LVH	(~{e})-3-[3,5-bis(fluoranyl)-4-[(1~{r},3~{r})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{h}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid
+CC(C)(C)C(=O)NCc1ccc(c(c1Cl)Nc2nc3cc(c(cc3n2C)OCC(C)(C)O)C(=O)NCC(F)(F)F)Cl	LVJ	2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-n-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide
+C[C@H](C=O)[C@@H](C(=O)O)N	LVN	(3s)-4-oxo-l-valine
+[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C(=O)O	LVO	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-o-methyl-9-o-octanoyl-d-glycero-d-galacto-non-2-enonic acid
+c1ccc(c(c1)NNC(=O)c2ccno2)F	LVP	~{n}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide
+C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2c6c7cc(cc6Cc8cc(cc(c8[O+]3CC(=O)O)Cc9cc(cc(c9[O+]4C1)Cc1cc(cc(c1[O+]5CC(=O)O)C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	LVQ	octa-anionic calixarene
+CC(C)C[C@@H](C=CS(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(c(c(c1)I)O)[N+](=O)[O-]	LVS	4-iodo-3-nitrophenyl acetyl-leucinyl-leucinyl-leucinyl-vinylsulfone
+c1c(cc2c(c1Cc3cc(cc(c3OCC(=O)O)Cc4cc(cc(c4OCC(=O)O)Cc5cc(cc(c5OCC(=O)O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OCC(=O)O)S(=O)(=O)O	LVT	octa-anionic calix[4]arene
+Cc1ccc(cc1)CN2CCS(=O)(=O)CC2	LVV	4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
+C=CCOC[C@H](C[SeH])O	LVW	(2~{r})-1-prop-2-enoxy-3-selanyl-propan-2-ol
+c1cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O	LVY	s-lenalidomide
+CC(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O	LVZ	propan-2-yl 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranoside
+c1cc(sc1)C=O	LW1	thiophene-2-carbaldehyde
+CC(=O)[C@H]([C@@H](c1cccs1)O)O	LW2	(3s,4s)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one
+CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6	LW4	3-(1h-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1h-pyrrole-2,5-dione
+C[C@@H](c1ccccc1)Oc2cc(cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O	LW5	4-acetamido-3-fluoranyl-~{n}-(4-oxidanylcyclohexyl)-5-[(1~{s})-1-phenylethoxy]benzamide
+c1ccc(cc1)CCC2=NCCc3c2cccc3	LW7	1-(2-phenylethyl)-3,4-dihydroisoquinoline
+C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)O	LW8	trimethyl-[(2s)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
+CCCCC(CC)CC	LW9	3-ethylheptane
+c1cc(ccc1C(=O)N)NC(=O)[C@@H]2CCCO2	LWA	(2~{s})-~{n}-(4-aminocarbonylphenyl)oxolane-2-carboxamide
+Cc1c(c(on1)C)c2cc3c(cc2OC[C@H]4CCNC4)c5c(cn3)nc(n5[C@H](C)c6ccccc6)COC	LWB	4-[2-(methoxymethyl)-1-[(1~{r})-1-phenylethyl]-8-[[(3~{s})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
+c1ccc(cc1)C(=O)Nc2ccc3c(c2)cccn3	LWD	~{n}-quinolin-6-ylbenzamide
+c1cc(c2c(c1Cl)c3c(s2)C(=O)NC=N3)Cl	LWG	6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3h)-one
+c1ccc2c(c1)c(nc(n2)c3cc(ccc3O)c4ccn[nH]4)N[C@H]5CCNC5	LWH	4-(1h-pyrazol-5-yl)-2-{4-[(3s)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol
+c1ccc(c(c1)C[C@@H](C(=O)O)N)CN	LWI	2-(aminomethyl)-l-phenylalanine
+Cc1[nH]c2cc(ccc2n1)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N	LWJ	[5-amino-1-(2-methyl-1h-benzimidazol-6-yl)-1h-pyrazol-4-yl](1h-indol-2-yl)methanone
+C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC2=C(C(=O)NC(=N2)N)NC=O	LWM	[(1r,2s,4r)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate
+Cn1c2c(cn1)c(nc(n2)Nc3ccc(c(c3)F)F)NCC(=O)OC	LWN	methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate
+C[n+]1cc(cc2c1cccc2)NC(=O)c3cccc(n3)C(=O)Nc4cc5ccccc5[n+](c4)C	LWQ	~{n}2,~{n}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
+CC1(c2cc(cc(c2NC1=O)F)c3cccn3C)C	LWS	7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1h-indol-2-one
+c1ccc(c(c1)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N)Cl	LWT	4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-8-sulfonamide
+c1ccc(c(c1)N)N2CCOCC2	LWV	2-morpholin-4-ylaniline
+c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnccc4[nH]3	LWW	n-(4-(phenylsulfonyl)benzyl)-1h-pyrrolo[3,2-c]pyridine-2-carboxamide
+C[P@](=O)(N1CCC[C@H]1C(=O)O)O	LWY	1-[(r)-hydroxy(methyl)phosphoryl]-l-proline
+c1c(nn[nH]1)CNC(=O)CC(S)S	LWZ	3,3-bis(sulfanyl)-~{n}-(1~{h}-1,2,3-triazol-4-ylmethyl)propanamide
+C[C@H](c1ccc2ccccc2c1)Nc3nc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N	LX0	4-(4-amino-6-{[(1r)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-l-phenylalanine
+C[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O	LX1	l-xylulose 5-phosphate
+c1ccc(cc1)C(C[N@](CCCOc2cccc3c2ccn3CC(=O)O)Cc4cccc(c4Cl)C(F)(F)F)c5ccccc5	LX2	[4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1h-indol-1-yl]acetic acid
+CCCC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O	LX3	(1~{r},3~{s},5~{z})-4-methylidene-5-[(~{e})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol
+C1CCC(C1)C(=O)N2CCNC(=O)C2	LX4	4-cyclopentylcarbonylpiperazin-2-one
+C1[C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)CO)O)O	LX5	[(1~{s},2~{s},3~{s},4~{s})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate
+c1cc(ccc1NC(=S)N)OC(F)(F)F	LX7	1-[4-(trifluoromethyloxy)phenyl]thiourea
+CC(=O)OC(C)(C)[C@@H]1Cc2cc3c(cc2O1)OC(=O)C(=C3)C(C)(C)C=C	LX8	2-[(2s)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7h-furo[3,2-g]chromen-2-yl]propan-2-yl acetate
+c1cc(cc(c1)n2cc(c(n2)N)c3ccc4c(c3)CCNC4=O)c5ccc6cc[nH]c6c5	LX9	6-{3-amino-1-[3-(1h-indol-6-yl)phenyl]-1h-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2h)-one
+COCC(=O)NCc1[nH]c2ccccc2n1	LXA	~{n}-(1~{h}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide
+CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1O)CO)O)O	LXB	2-acetamido-2-deoxy-beta-d-gulopyranose
+C1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O	LXC	beta-l-xylopyranose
+C1[C@@H]([C@H]([C@@H]([C@H]1O)O)CO)[NH3+]	LXE	[(1~{s},2~{s},3~{s},4~{s})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium
+CN(C)CC1=Nc2c3cc(ccc3sc2C(=O)N1)/C=C/C4CC4	LXG	8-[(e)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3h)-one
+C[C@@H](c1ccccc1)C(=O)OC	LXH	methyl (2~{s})-2-phenylpropanoate
+c1ccc(cc1)C(=O)N2CC[C@H]3[C@@H](CNC3=O)C=C2	LXJ	(3~{a}~{s},8~{a}~{s})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one
+CCC[C@@H](c1cccnc1)Nc2c(cnc(n2)c3ccc(c(c3)OC)NC(=O)NCC)C	LXL	1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1s)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea
+c1ccc(cc1)C(=O)N2C[C@H]([C@H]3[C@@H]2c4ccccc4O3)CO	LXM	[(3~{s},3~{a}~{s},8~{b}~{s})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone
+C1(=O)C(=O)NC(=O)NC1=O	LXN	alloxan
+C([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O	LXP	l-xylitol 5-phosphate
+CC(=O)N1CC[C@H](C1)C(=O)O	LXQ	(3~{r})-1-ethanoylpyrrolidine-3-carboxylic acid
+CCN1C(=O)CN(C1=O)[C@@H]2[C@@H]3c4ccccc4[C@H]([C@H]2O)O3	LXS	3-ethyl-1-[(1~{r},8~{s},9~{s},10~{s})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione
+Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCc3ccccc3)NC(=O)[C@H](CCc4ccccc4)N	LXT	(2s)-2-amino-n-[(1s)-1-({(1s)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)-3-phenylpropyl]-4-phenylbutanamide
+[H]/N=C\N1C[C@@H](C[C@@H]1C)NS(=O)(=O)c2cc(ccc2Br)Br	LXV	2,5-dibromo-n-{(3r,5s)-1-[(z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide
+c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4ccncc4)N	LXW	(2~{s})-1-[(2~{r})-2-azanyl-3,3-diphenyl-propanoyl]-~{n}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
+c1cc2c(cc1c3cc4cn[nH]c4nc3)c(ccn2)c5ccncc5	LXX	6-(1h-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
+C[C@H]1[C@@H](C[C@H](N1S(=O)(=O)c2ccc(cc2)F)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C(F)(F)F)F	LXY	(4r,5s)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-n-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-l-prolinamide
+CC(=O)N[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1O)CO)O)O	LXZ	2-acetamido-2-deoxy-alpha-d-idopyranose
+C[C@@H](C[P@](=O)([C@H](C)N)O)C(=O)O	LY0	(2r)-3-[(r)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+c1cc(c(c2c1CCCNC2)Cl)Cl	LY1	8,9-dichloro-2,3,4,5-tetrahydro-1h-benzo[c]azepine
+c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4	LY2	2-morpholin-4-yl-7-phenyl-4h-chromen-4-one
+c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCc4n[nH]nn4)C(=O)O	LY3	2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-(2h-tetrazol-5-yl)-butyric acid
+CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O	LY4	(9r)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9h,18h-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadia zacyclohexadecine-18,20-dione
+C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)O	LY5	(3s,4ar,6s,8ar)-6-{[(2s)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid
+C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N	LY7	n-[(2s)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide
+C[C@H](c1ccccc1)C(=O)OC	LY8	methyl (2~{r})-2-phenylpropanoate
+[C@@H](C([C@H](C(=O)O)O)O)(C(=O)O)O	LY9	l-arabinaric acid
+c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	LYA	2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid
+c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	LYB	2-{4-[4-(4-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-carboxy-butyrylamin o)-4-carboxy-butyrylamino}-pentanedioic acid
+CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C)C	LYC	lycopene
+CC(C)[C@@H](C(=O)O)NC(=O)c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N	LYD	2-{4-[2-(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-3-methyl-butyric acid
+c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O	LYE	bromophenol blue
+C(CC/N=C(\C[C@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N	LYF	(2e,4s)-2-{[(5s)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
+c1cc2c(cc1Cl)c3c(s2)C(=O)NC(=N3)C[N@@]4CC[C@@H](C4)O	LYG	8-chloro-2-{[(3s)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3h)-one
+C(CN)/C=C/[C@@H](C(=O)O)N	LYH	3,4 ene-lysine
+C(CCN)C[C@@H](CO)N	LYJ	(2s)-2,6-diaminohexan-1-ol
+C(CCN)C[C@@H](C(O)O)N	LYK	(2s)-2,6-diaminohexane-1,1-diol
+Cc1cccc(c1O)CC=C	LYL	2-allyl-6-methyl-phenol
+CC(=O)[C@H](CCCCN)N	LYM	deoxy-methyl-lysine
+C(CC[NH3+])C[C@@H](C(=O)N)N	LYN	2,6-diamino-hexanoic acid amide
+C(CN)C(C[C@@H](C(=O)O)N)O	LYO	4-hydroxy-lysine
+CCCN(C)CCCCC(C(=O)O)N	LYP	n~6~-methyl-n~6~-propyl-l-lysine
+c1cc(c(cc1O)Cl)[C@@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(=O)N	LYQ	(3~{a}~{r},4~{s},9~{b}~{s})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{h}-cyclopenta[c]quinoline-8-sulfonamide
+CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C\C(=C\CNCCCC[C@@H](C(=O)O)N)\C)/C	LYR	n~6~-[(2z,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenyl]lysine
+C(CC[NH3+])C[C@@H](C(=O)O)N	LYS	lysine
+C(CC[NH3+])C[C@@H](C(=O)[O-])[NH-]	LYS_LEO2	l-lysine c-terminal deprotonated fragment
+C(CC[NH3+])C[C@@H](C(=O)O)[NH-]	LYS_LEO2H	l-lysine c-terminal protonated fragment
+C(CCN)C[C@@H](C(=O)O)[NH-]	LYS_LEO2H_DHZ3	l-lysine-c-terminal protonated fragment/with side chain deprotonated nz
+C(CCN)C[C@@H](C(=O)[O-])[NH-]	LYS_LEO2_DHZ3	l-lysine-c-terminal deprotonated fragment/with side chain deprotonated nz
+C(CC[NH3+])C[C@@H](C(=O)O)N	LYS_LFOH	l-lysine free neutral
+C(CCN)C[C@@H](C(=O)O)N	LYS_LFOH_DHZ3	l-lysine-free neutral/with side chain deprotonated nz
+C(CC[NH3+])C[C@@H](C(=O)[O-])[NH3+]	LYS_LFZW	l-lysine free zwitterion
+C(CCN)C[C@@H](C(=O)[O-])[NH3+]	LYS_LFZW_DHZ3	l-lysine-free zwitterion/with side chain deprotonated nz
+C(CC[NH3+])C[C@@H]([C-]=O)[NH-]	LYS_LL	l-lysine - linking embedded fragment
+C(CCN)C[C@@H]([C-]=O)[NH-]	LYS_LL_DHZ3	l-lysine-linking embedded fragment/with side chain deprotonated nz
+C(CC[NH3+])C[C@@H]([C-]=O)[NH3+]	LYS_LSN3	l-lysine n-terminal protonated fragment
+C(CCN)C[C@@H]([C-]=O)[NH3+]	LYS_LSN3_DHZ3	l-lysine-n-terminal protonated fragment/with side chain deprotonated nz
+CCCCN	LYT	butylamine
+CC(C)CCCNCCCC[C@@H](C(=O)O)N	LYU	n~6~-(4-methylpentyl)-l-lysine
+C(CNC(=O)CNC(=O)[C@H](COP(=O)(O)O)N)[C@@H](C(=O)O)N	LYV	o-phosphono-l-seryl-n-[(3s)-3-amino-3-carboxypropyl]glycinamide
+CCCC[C@@H](C=O)N	LYW	1-amino-1-carbonyl pentane
+C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	LYX	n''-(2-coenzyme a)-propanoyl-lysine
+C(C[C@@H](C(=O)O)N)[C@H](CN)O	LYZ	5-hydroxylysine
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCc2cnnn2CC=O)O)O)O	LZ0	[1-(2-oxoethyl)-1h-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-l-galactopyranoside
+c1ccc2c(c1)cn[nH]2	LZ1	1h-indazole
+c1cc2c(cccc2S(=O)(=O)N)c(c1)O	LZ2	5-hydroxynaphthalene-1-sulfonamide
+c1ccc2c(c1)c(n[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)N	LZ3	n-(4-sulfamoylphenyl)-1h-indazole-3-carboxamide
+c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N	LZ4	4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
+c1ccc(cc1)NC(=O)c2cc[nH]n2	LZ5	n-phenyl-1h-pyrazole-3-carboxamide
+c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl	LZ6	l-gamma-glutamyl-s-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-l-cysteinylglycine
+CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(cc2)F	LZ7	4-(acetylamino)-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide
+c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F	LZ8	n-(4-fluorophenyl)-4-[(phenylcarbonyl)amino]-1h-pyrazole-3-carboxamide
+c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F	LZ9	{[(2,6-difluorophenyl)carbonyl]amino}-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide
+c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)F	LZA	{[(2,6-difluorophenyl)carbonyl]amino}-n-piperidin-4-yl-1h-pyrazole-3-carboxamide
+CC(C)Nc1cc(nc2n1ncc2C#N)Cl	LZB	5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CC(C)Nc1cc(nc2n1ncc2C#N)NC3CCC(CC3)N	LZC	5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)N[C@H]3CCCNC3)F	LZD	4-{[(2,6-difluorophenyl)carbonyl]amino}-n-[(3s)-piperidin-3-yl]-1h-pyrazole-3-carboxamide
+c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl	LZE	4-{[(2,6-dichlorophenyl)carbonyl]amino}-n-piperidin-4-yl-1h-pyrazole-3-carboxamide
+CO[C@H]1C[N@](C[C@@H]1NC(=O)c2ccc(s2)Cl)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O	LZF	5-chloro-n-[(3s,4s)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)F)NC(=O)c4ccc(s4)Cl	LZG	5-chloro-thiophene-2-carboxylic acid ((3s,4s)-4-fluoro- 1-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenylcarbamoyl]-methyl}-pyrrolidin-3-yl)-amide
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3CO)NC(=O)c4ccc(s4)Cl	LZH	5-chloro-thiophene-2-carboxylic acid ((3r,5s)-1-{[2-fluoro-4-(2-oxo-pyridin-1-yl)-phenylcarbamoyl]-methyl}-5-hydroxymethyl-pyrrolidin-3-yl)-amide
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3C(=O)NCC4CC4)NC(=O)c5ccc(s5)Cl	LZI	(4r)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-n-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)-l-prolinamide
+c1cc(c(c(c1)Br)c2cc3cnc(nc3nc2N)N)Br	LZJ	6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
+COc1cccc(c1c2cc3cnc(nc3nc2N)N)OC	LZK	6-(2,6-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
+c1ccc(cc1)c2cc3cnc(nc3nc2N4CC=CC4)N	LZL	7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine
+c1cnc2c(cnn2c1)C#N	LZM	pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1ccc(cc1)COc2cccc(c2)C(=O)CC(=O)C(=O)N3CCN(CC3)C(=O)C(=O)CC(=O)c4cccc(c4)OCc5ccccc5	LZP	4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}
+c1ccc(cc1)CN(Cc2ccccc2)c3cccc(c3)C(=O)CC(=O)C(=O)O	LZQ	4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid
+COc1cc2c(cc1OCC3C=C3)C(=O)NC(=N2)N4CCC5=C(C4)C=CN(C5=O)CC6CC6	LZR	6-(cycloprop-2-en-1-ylmethoxy)-2-[6-(cyclopropylmethyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]-7-methoxyquinazolin-4(3h)-one
+CC(C)CN1C=CC2=C(C1=O)CCN(C2)c3nc4cc(c(cc4c(n3)NS(=O)(=O)CC(F)(F)F)OCC5CC5)OC	LZS	n-{6-(cyclopropylmethoxy)-7-methoxy-2-[6-(2-methylpropyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]quinazolin-4-yl}-2,2,2-trifluoroethanesulfonamide
+Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)C[C@@H]3CC(=O)c4c3cc(cc4)OC	LZT	n~2~-{[(1s)-6-methoxy-3-oxo-2,3-dihydro-1h-inden-1-yl]acetyl}-n-{(1s)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}-l-threoninamide
+CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC	LZU	10-{2-[(2s)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10h-phenothiazine
+CCOC(=O)[C@@H]1CN2C(=O)CCN2C13CCCC3	LZV	ethyl (6~{r})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate
+c1cc(ccc1[C@H]2C3=C(CCC3)c4cc(ccc4N2)S(=O)(=O)N)O	LZW	(4~{s})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{h}-cyclopenta[c]quinoline-8-sulfonamide
+CN1Cc2cc(ccc2NCCC1=O)F	LZY	8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one
+CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O	LZZ	(3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one
+CC[C@@H](CO)NC(=O)CCC1=Nc2ccccc2C(=O)N1	M00	n-[(2s)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
+c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)CN	M01	1-[1-(9h-purin-6-yl)piperidin-4-yl]methanamine
+c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)N	M02	1-(9h-purin-6-yl)piperidin-4-amine
+c1cc(ccc1C2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl	M03	1-[4-(4-chlorophenyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
+c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl	M04	1-[4-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
+c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+])Cl	M05	4-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium
+CC1=C(C(=O)N(C=C1)Cc2c3cccnc3n[nH]2)Oc4cc(cc(c4)Cl)C#N	M06	3-chloro-5-{[4-methyl-2-oxo-1-(2h-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile
+COc1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	M07	(5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-methoxyphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol
+c1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	M08	(5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol
+c1cc(ccc1C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2)[N+](=O)[O-]	M09	(3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
+CCCCc1nc2c(n1Cc3cccc(c3)CN)c4ccccc4nc2N	M0A	1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine
+Cc1c(c(nn1c2c(cc(cn2)C3CC3)F)OC(C)C)Oc4c(cccc4F)F	M0B	2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine
+c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H](C3)N(C[C@@H]4O)CC(=O)N	M0D	2-[(2r,5r,6s)-5-hydroxy-1,2,4,5,6,7-hexahydro-3h-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O	M0E	moenomycin
+C([C@@H](C(=O)O)N)SCO	M0H	s-(hydroxymethyl)-l-cysteine
+C[C@@H](CNC(=O)Nc1ccccc1)O	M0J	n-[(2s)-2-hydroxypropyl]-n'-phenylurea
+c1cc(c(cc1F)OCC(=O)O)C(=O)NCC2CC2	M0K	2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid
+CN1C2=C(C(=S)N(C1=O)C)N[C@@H](N2)SCCN3CCOCC3	M0M	(8s)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2h-purin-2-one
+c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O	M0N	(1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid)
+CN1c2c([nH]c(n2)SCCN3CCOCC3)C(=O)N(C1=O)C	M0P	1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1h-purine-2,6-dione
+CNc1ccnc2c1cncc2	M0Q	~{n}-methyl-1,6-naphthyridin-4-amine
+CN1c2c(nc([nH]2)SCCN3CCCC3)C(=S)N(C1=O)C	M0S	1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2h-purin-2-one
+CC[C@H](c1ccccc1)NC(=O)c2ccc3c(c2)nc(n3Cc4ccc(c(c4)Cl)Cl)C	M0T	1-(3,4-dichlorobenzyl)-2-methyl-n-[(1r)-1-phenylpropyl]-1h-benzimidazole-5-carboxamide
+CN1c2c(n(cn2)C[C@H](CN3CCOCC3)O)C(=O)N(C1=O)C	M0V	7-[(2s)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+CNc1c2ccccc2ncn1	M0W	~{n}-methylquinazolin-4-amine
+c1ccc2c(c1)cccc2n3cc(c(n3)C(=O)N)NC(=O)N	M0Y	4-(carbamoylamino)-1-(naphthalen-1-yl)-1h-pyrazole-3-carboxamide
+COc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N	M0Z	4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1h-pyrazole-3-carboxamide
+[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-]	M10	(mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (vi)
+CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N	M11	n^6^-[(1r,2s)-1-({[(1r)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-l-lysine
+CC(C)CCCCCCCCC(=O)O	M12	10-methylundecanoic acid
+c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)COc2cc(cc(c2)Cl)Oc3cc(cc(c3)Cl)C#N	M14	2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-n-(2-chloro-4-sulfamoylphenyl)acetamide
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)I	M15	{5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
+Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N	M16	7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
+CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O	M17	methyl {(2s)-1-[2-(biphenyl-4-ylmethyl)-2-{(4r)-4-hydroxy-5-{[(2s)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
+CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1COC(=O)Cc2cccc(c2)Cl	M18	{(2s)-1-[n-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate
+C[n+]1cnc2c(c1N)nc[nH]2	M1A	6-amino-1-methylpurine
+[H]/N=C(\c1cccc(c1)c2ccc(cc2)c3[nH]c4ccc(cc4n3)/C(=N\[H])/N)/N	M1B	2-{3'-[amino(imino)methyl]biphenyl-4-yl}-1h-benzimidazole-5-carboximidamide
+CCCC[C@@H](C(CNC1CC1)(O)O)N	M1C	(3s)-3-amino-1-(cyclopropylamino)heptane-2,2-diol
+CN1c2c(n(cn2)CCCC(=O)O)C(=O)N(C1=O)C	M1D	4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)butanoic acid
+CNc1c2c(ccs2)ncn1	M1E	~{n}-methylthieno[3,2-d]pyrimidin-4-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)O)CO)O)O)O)O	M1F	alpha-maltose 1-phosphate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4N=CC=CN4C2=O	M1G	3-(2-deoxy-beta-d-ribofuranosyl)-pyrido[5,6-a]-purine-10-one-5'-monophosphate
+CNc1ccnc2c1CCCC2	M1H	~{n}-methyl-5,6,7,8-tetrahydroquinolin-4-amine
+C[C@H]1COCCN1c2nc(nc(n2)N3CCOCC3)c4cnc(cc4C(F)F)N	M1J	4-(difluoromethyl)-5-{4-[(3s)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine
+CN1CCc2c(cc\3c(c2C1)NC(=O)/C3=N/O[C@@H](CCO)C(=O)O)c4ccc(cc4)S(N(C)C)(O)O	M1L	2-({[(3e)-5-{4-[(dimethylamino)(dihydroxy)-lambda~4~-sulfanyl]phenyl}-8-methyl-2-oxo-6,7,8,9-tetrahydro-1h-pyrrolo[3,2-h]isoquinolin-3(2h)-ylidene]amino}oxy)-4-hydroxybutanoic acid
+CS(=O)(=O)SCSS(=O)(=O)C	M1M	1,1-methanediyl bismethanethiosulfonate
+B([C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2c1cccc2)NC(=O)N3CCOCC3)(O)O	M1N	(1r)-3-methyl-1-{[n-(morpholin-4-ylcarbonyl)-3-(1-naphthyl)-d-alanyl]amino}butylboronic acid
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O	M1P	1-o-phosphono-alpha-d-mannopyranose
+C1CCC2=NC(=O)NC(=O)C2C1	M1Q	5,6,7,8-tetrahydro-4~{a}~{h}-quinazoline-2,4-dione
+CCC(=O)N1CCN(CC1)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6	M1R	1-{4-[2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
+c1c(c2c(c(c1O)Cl)CC(=O)CCCCC\C=C\CCOC2=O)O	M1S	(5e)-14-chloro-15,17-dihydroxy-4,7,8,9,10,11-hexahydro-2-benzoxacyclopentadecine-1,12(3h,13h)-dione
+COCC(=O)CCCC(O)O	M1T	6,6-dihydroxy-1-methoxyhexan-2-one
+CCC1=C(/C(=C/C2=N/C(=C\c3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)CC)C)CCC(=O)O)/C(=C2C)CCC(=O)O)/NC1=O)C	M1V	mesobiliverdin ix(alpha)
+COCCCNC(=O)c1nc(no1)c2cccc3c2cc[nH]3	M1W	3-(1h-indol-4-yl)-n-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide
+C[C@@H](C(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F	M1X	{(2s)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2s)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile
+CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O	M1Y	(1s)-1,4-anhydro-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-o-phosphono-d-xylitol
+C1CCN(C1)C2=NC(=O)NC(=O)C2	M1Z	6-pyrrolidin-1-yl-5~{h}-pyrimidine-2,4-dione
+C\C=C/C=C/CCCCCCCCCO	M21	(10e,12z)-tetradeca-10,12-dien-1-ol
+c1ccc2c(c1)c(n[nH]2)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl	M22	3-chloro-5-[2-chloro-5-(1h-indazol-3-ylmethoxy)phenoxy]benzonitrile
+CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)Br	M23	7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine
+c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)F	M24	5'-o-[(r)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine
+CC(=O)NCCc1ccc(cc1)S(=O)(=O)N	M25	n-{2-[4-(aminosulfonyl)phenyl]ethyl}acetamide
+[O-][Mo]1(O[Mo](O1)([O-])([O-])([O-])[O-])([O-])([O-])[O-]	M27	bis(mu2-oxo)-octaoxo-dimolybdenum (vi)
+c1cc(ccc1CCC(=O)O)S(=O)(=O)N	M28	3-[4-(aminosulfonyl)phenyl]propanoic acid
+CCOC(=O)CCc1ccc(cc1)S(=O)(=O)N	M29	ethyl 3-[4-(aminosulfonyl)phenyl]propanoate
+CNc1ccccc1C(=O)O[C@@H]2[C@@H]([C@@H](O[C@H]2n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O)O	M2A	[(2~{r},3~{r},4~{r},5~{s})-2-(6-aminopurin-9-yl)-4-oxidanyl-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
+c1ccc(cc1)n2c(c(cn2)C(=O)N)N	M2B	5-amino-1-phenylpyrazole-4-carboxamide
+CSCC[C@@H](C(c1ccccn1)(O)O)N	M2C	(2s)-2-amino-4-(methylsulfanyl)-1-pyridin-2-ylbutane-1,1-diol
+C[C@@H]1/C=C/C(=O)NC/C=C\C(=C\[C@H](C[C@@H](Cc2nc(co2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)C)O)O)\C	M2D	madumycin ii
+c1cc(ccc1C(=O)N2CCC[C@@H](C2)O)Cl	M2E	(4-chlorophenyl)-[(3~{s})-3-oxidanylpiperidin-1-yl]methanone
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F	M2F	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-mannopyranoside
+CN(C)C1=Nc2c(ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N1	M2G	n2-dimethylguanosine-5'-monophosphate
+Cc1cc([nH]c1C#N)C	M2H	3,5-dimethyl-1~{h}-pyrrole-2-carbonitrile
+C1CCc2c(c([nH]n2)C(=O)O)C1	M2K	4,5,6,7-tetrahydro-2~{h}-indazole-3-carboxylic acid
+CN(C)CCSC[C@@H](C(=O)O)N	M2L	(2r)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid
+COCCOCCOC	M2M	1-methoxy-2-(2-methoxyethoxy)ethane
+c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N	M2N	5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O	M2P	d-mannitol-1,6-diphosphate
+CC(C)(C[S@](=O)C)[C@@H](C(=O)O)N	M2S	3-{[(r)-methylsulfinyl]methyl}-l-valine
+CS(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	M2T	5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine
+Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O	M2V	[(1r)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
+C[C@@H]([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)OC	M2W	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-o-methyl-d-threonine
+Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4ccccc4)P(=O)(O)O	M2Y	[(1s)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
+Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)N4CCNCC4	M2Z	1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
+C1CCC(CC1)NCC(=O)O	M30	n-cyclohexylglycine
+c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CN)Cl	M31	n-(benzylsulfonyl)glycyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	M32	n-(benzylsulfonyl)-d-alanyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+C[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	M33	5'-o-[(s)-hydroxy{[(s)-hydroxy(methyl)phosphoryl]oxy}phosphoryl]adenosine
+CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	M34	n-(benzylsulfonyl)-d-leucyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)CN)C(F)(F)F	M35	1-[3-(aminomethyl)phenyl]-n-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
+CC(=CCc1c2c(cc(c1OC)OCCCCCCC(=O)O)Oc3cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C	M36	7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid
+c1ccc(c(c1)CN)n2c(cc(n2)C(F)(F)F)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)N	M37	1-[2-(aminomethyl)phenyl]-n-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide
+c1ccc2c(c1)C3=C(c4ccccc4C3=O)N(C2=O)CCCC(=O)O	M38	4-(5,11-dioxo-5h-indeno[1,2-c]isoquinolin-6(11h)-yl)butanoate
+Cc1ccccc1N2C(=O)c3c[nH]nc3N=C2SCc4cccc(c4)F	M39	6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)C#N)N	M3A	5-amino-3-[(4-cyanophenyl)amino]-n-phenyl-1h-1,2,4-triazole-1-carboxamide
+COCCN[C@@H](N)NCCCCN	M3B	(1~{s})-~{n}'-(4-azanylbutyl)-~{n}"-(2-methoxyethyl)methanetriamine
+CSCC[C@@H](C(c1nccs1)(O)O)N	M3C	(2s)-2-amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-yl)butane-1,1-diol
+c1ccc2c(c1)C=C(c3ccc(cc3O2)c4ccc(c(c4)C#N)O)C(=O)NCCN5CCOCC5	M3D	7-(3-cyano-4-hydroxyphenyl)-n-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide
+c1ccc(cc1)C2=CC(=O)NC(=O)N2	M3E	6-phenyl-1~{h}-pyrimidine-2,4-dione
+Cc1cc(nc2c1-c3ccccc3C(=O)N2)C(F)(F)F	M3F	1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5h)-one
+c1ccc(cc1)C2=NCCN2	M3H	2-phenyl-4,5-dihydro-1~{h}-imidazole
+Cc1cc(no1)N	M3I	5-methyl-1,2-oxazol-3-amine
+c1ccc(cc1)Nc2nc3ccc(cc3c(n2)N)Br	M3J	6-bromo-n~2~-phenylquinazoline-2,4-diamine
+c1cc(c(cc1I)F)Nc2cc(cc(c2C(=O)N)OCC[C@H](CO)O)F	M3K	2-([3r-3,4-dihydroxybutyl]oxy)-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide
+C[N+](C)(C)CCCC[C@@H](C(=O)O)N	M3L	n-trimethyllysine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	M3M	3-o-alpha-d-mannopyranosyl-alpha-d-mannopyranose
+c1c(nnn1[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	M3N	4-(hydroxymethyl)-1-(alpha-d-mannopyranosyl)-1h-1,2,3-triazole
+CSCC[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O	M3O	3'-o-(n-formyl-l-methionyl)adenosine 5'-(dihydrogen phosphate)
+CC(=O)\C=C\C=C(/C(=O)O)\O	M3P	(2e,4e)-2-hydroxy-6-oxohepta-2,4-dienoic acid
+c1cc2cccnc2c(c1)CP(=O)(O)O	M3Q	[(quinolin-8-yl)methyl]phosphonic acid
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N[P@@](=O)(C)O	M3R	methyl phosphonated l-arginine
+Cc1cccc(c1OC(=O)C)C(=O)O	M3S	2-(acetyloxy)-3-methylbenzoic acid
+Cc1cccc(c1)S	M3T	3-methylbenzenethiol
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)C#N)/C(=O)N1CC(=O)O)N)O	M3V	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C	M3W	8-methyl-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
+c1ccc(cc1)NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N	M3Y	5-amino-n-phenyl-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carboxamide
+CN(Cc1ccccc1)CC2=NC(=O)NC(=O)C2	M3Z	6-[[methyl-(phenylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione
+c1ccc(cc1)COC(=O)NC(CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(O)S(=O)(=O)O	M40	(1r,2s)-2-({n-[(benzyloxy)carbonyl]-3-cyclohexyl-l-alanyl}amino)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3	M41	n-(benzylsulfonyl)-d-valyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+CC1=CC(=O)Nc2c1ccc3c2OCO3	M42	6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one
+C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C1=[N]7[C@H](C5)[C@H]([C@@H]1C[C@@H](C9=O)SC)CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O	M43	(17[2]s)-17[2]-methylthio-coenzyme f43
+CC(C)NP(=O)(NC(C)C)O	M44	n,n'-bis(1-methylethyl)phosphorodiamidic acid
+c1nc([nH]n1)N[C@H]2CCCN2	M45	~{n}-[(2~{s})-pyrrolidin-2-yl]-1~{h}-1,2,4-triazol-5-amine
+c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N	M46	7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine
+c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N	M48	7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine
+CC(=O)NCC[C@@H]1c2cc(ccc2NC1=O)NC(=O)C	M49	n-{(3r)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1h-indol-5-yl}acetamide
+Cc1cc(c2ccccc2n1)N	M4A	2-methylquinolin-4-amine
+CC1=C(C(=NC(=O)N1)c2ccccc2)[N+](=O)[O-]	M4B	6-methyl-5-nitro-4-phenyl-1~{h}-pyrimidin-2-one
+CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	M4C	n-methyl-2'-o-methylcytidine 5'-(dihydrogen phosphate)
+CCCCCc1cc2c(cccc2nc1N)CCCCN	M4D	5-(4-azanylbutyl)-3-pentyl-quinolin-2-amine
+CNC(=O)c1c2ccccc2[nH]n1	M4E	~{n}-methyl-2~{h}-indazole-3-carboxamide
+c1cc(ccc1NC(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)OCC(=O)O	M4G	[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid
+c1cc2ccn(c2nc1)C3(CCCC3)CN4C=C(C(=O)C(=C4)O)C(=O)O	M4H	5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
+c1ccc2c(c1)ccc3c2ccc(c3)c4cc(nn4c5ccc(cc5)NC(=O)CN)C(F)(F)F	M4J	n-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}glycinamide
+c1ccc(cc1)CN(CC2=NC(=O)NC(=O)C2)C3CC3	M4K	6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione
+c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(cc4)S(=O)(=O)N	M4M	1-amino-9,10-dioxo-4-[(4-sulfamoylphenyl)amino]-9,10-dihydroanthracene-2-sulfonic acid
+CNC(=O)c1cc(n[nH]1)c2ccccc2	M4N	~{n}-methyl-3-phenyl-1~{h}-pyrazole-5-carboxamide
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OC/C=C(/C)\CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)N)O)O)O	M4O	(2r)-3-{[(s)-{[(2r,3r,4r,5s,6s)-3-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-5-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-5-{[(2r,3r,4s,5r,6s)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-4-hydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)tetrahydro-2h-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2h-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-{[(2z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}propanoic acid
+c1cc(ccc1C#N)Nc2nc(n(n2)C(=O)Nc3ccc(cc3)OCC(=O)O)N	M4P	[4-({5-amino-3-[(4-cyanophenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid
+CN(Cc1ccsc1)CC2=NC(=O)NC(=O)C2	M4Q	6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione
+Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N	M4R	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2r)-2-(methylamino)propyl]benzonitrile
+COc1ccc(cc1)S(=O)(=O)N	M4S	4-methoxybenzenesulfonamide
+CC(=O)Nc1cccnc1	M4T	~{n}-pyridin-3-ylethanamide
+c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N	M4V	2-amino-6-(4-bromophenyl)-5-phenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+C/C/1=C\CC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C	M4Y	parthenolide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NCC)\N	M4Z	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide
+Cc1cc(n(n1)c2ccccc2)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5	M51	{(2s,4s)-4-[4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone
+C[N@@](CC(=O)Nc1ccc(cc1)OC)S(=O)(=O)c2cc(cnc2N)Br	M52	n~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-n-(4-methoxyphenyl)-n~2~-methylglycinamide
+c1cc(cc(c1)O)C2=CNC(=O)c3c2cc(c4c3cc(cc4)c5c[nH]nc5)CCCN	M54	6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1h-pyrazol-4-yl)benzo[h]isoquinolin-1(2h)-one
+c1ccc(cc1)COC(=O)[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O	M55	benzyl alpha-d-glucopyranuronate
+c1cc(ccc1c2nc(co2)C(=O)O)NC(=O)n3c(nc(n3)Nc4ccc(cc4)S(=O)(=O)N)N	M57	2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1h-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid
+c1cc(cnc1)[C@H](N)S	M58	(~{r})-azanyl(pyridin-3-yl)methanethiol
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@]4(CC[C@H]3C4)CO)N	M59	[(1s,3s,4s)-3-(6-amino-9h-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol
+C[C@@H](c1ccc(cc1)C(=O)c2cccs2)C(=O)O	M5A	(2s)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
+c1cc(sc1)S(=O)(=O)Nc2[nH]ccn2	M5B	~{n}-(1~{h}-imidazol-2-yl)thiophene-2-sulfonamide
+COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)OCCN)O	M5C	dimethyl(1s,2s,4s,5s)-4-(2-aminoethoxy)-5-hydroxycyclohexane-1,2-dicarboxylate
+C[C@@H]1C[C@H]1C(=O)N2CCN(C[C@H]2C)c3cnc(c(n3)c4cnn(c4)C)C#N	M5D	5-{(3r)-3-methyl-4-[(1r,2r)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1h-pyrazol-4-yl)pyrazine-2-carbonitrile
+c1ccc(cc1)[C@@H]([C@@H]2CCCN2)O	M5E	(~{s})-phenyl-[(2~{s})-pyrrolidin-2-yl]methanol
+C1=C(C(=O)NC(=O)N1C[C@H](CN)N)F	M5F	1-[(2s)-2,3-diaminopropyl]-5-fluoropyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)c([nH]n2)C3NCCN3	M5H	3-imidazolidin-2-yl-2~{h}-indazole
+CC(C)(C)C(=O)N1CCC[C@H]1c2cccc(c2)F	M5J	1-[(2s)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
+Cc1cc(nc2c1cccc2)N	M5K	4-methylquinolin-2-amine
+CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	M5M	2'-(n-acetamide)-cytidine-5'-monophosphate
+CC(C)C1=NC(=O)N=C2C1CCCC2	M5N	4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{h}-quinazolin-2-one
+c1ccc(cc1)CCC[C@H](CS)C(=O)O	M5P	(s)-2-(mercaptomethyl)-5-phenylpentanoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	M5T	5-methyluridine triphosphate
+c1cc(cc(c1)Cl)N2C[C@@H]3C[C@H]2CN3c4c(cnc(n4)c5cccnc5)C#N	M5V	4-[(1s,4s)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile
+CC(C)(C)n1c(c(c(n1)c2cccc(c2)OC)C(=O)N)N	M5W	5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide
+c1cc(c(cc1F)F)CN	M5Y	1-(2,4-difluorophenyl)methanamine
+c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CN)O)O)N)O)O)N)N)N)O	M5Z	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-o-[(1r)-3-phenylpropylidene]-alpha-d-glucopyranoside
+CC(C)[C@@H](C(=O)NN(CC(=O)O)C(=O)C[C@@H](C(=O)NCCc1ccccc1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)OCc2ccccc2	M60	(4s)-5-[[(2s)-1-[2-(carboxymethyl)-2-[(3s)-3-hydroxy-4-oxo-4-(phenethylamino)butanoyl]hydrazinyl]-3-methyl-1-oxo-butan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
+CN(C[C@@H]1COCCO1)S(=O)(=O)Nc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6	M61	n-[(2r)-1,4-dioxan-2-ylmethyl]-n-methyl-n'-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide
+c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N	M62	7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine
+C[C@H]1CCCCN1C(=O)C[C@@H](C(=O)O)N	M64	(2s)-2-amino-4-[(2s)-2-methylpiperidin-1-yl]-4-oxobutanoic acid
+CCOC(=O)CCCCCCn1ccnc1	M65	ethyl 7-imidazol-1-ylheptanoate
+CCC[C@@H](C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C3Cc4ccccc4C3)NC(=O)N[C@H](CN5CCCCC5=O)C(C)(C)C	M66	(1r,2s,5s)-3-{(2s)-2-(2,3-dihydro-1h-inden-2-yl)-2-[({(1s)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-n-{(1s)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NCCC)\N	M67	(2s)-n-(4-carbamimidoylbenzyl)-1-[(2r)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]azetidine-2-carboxamide
+c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N	M68	7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine
+[H]/N=C(\NCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6A	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[n'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate
+[H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6B	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	M6D	6-o-phosphono-beta-d-mannopyranose
+[H]/N=C(/NCCCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC	M6E	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[n'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate 
+[H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@@H]([C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)O)C)O)C)(C)O)OCC#C)C)/NC(=O)NC	M6F	(3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate
+[H]/N=C(\NCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6G	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[n'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate
+c1ccc(cc1)CC2NCCN2	M6H	2-(phenylmethyl)imidazolidine
+c1ccc(cc1)[C@H]2CCCN2C(=O)C[C@@H](C(=O)O)N	M6J	(2s)-2-amino-4-oxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butanoic acid
+Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)N[C@@H](C)C(=O)NCc3ccc(cc3F)F	M6M	n-{(2s)-1-({(2s)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2s)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
+CC1=Nc2cnccc2C(=O)N1	M6N	2-methyl-3~{h}-pyrido[3,4-d]pyrimidin-4-one
+CCCCCCCCCCCC(=O)NC12CO34[Al]5678O9[Mo]33(O[Mo]44(O5[Mo]5(O4)(O6(C1)[Mo]1(O5)(O7[Mo]4(O1)(O8(C2)[Mo]9(O4)(O3)([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O]	M6O	lauric acid functionalized hexamolybdoaluminate
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O	M6P	6-o-phosphono-alpha-d-mannopyranose
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccnc(c3)N)N	M6Q	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O	M6R	5-amino-5-deoxy-1-o-phosphono-d-mannitol
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NC)\N	M6S	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide
+Cc1c(c(nc(n1)C)N)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@](=O)(O)[O-]	M6T	6'-methyl-thiamin diphosphate
+[H]/N=C(/NCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC	M6V	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[n'-(methylcarbamoyl)carbamimidamido]butyl}carbamate
+CNC(=O)[C@H]1CCNC1	M6W	(3~{s})-~{n}-methylpyrrolidine-3-carboxamide
+Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c3ccccc3)C(=O)N[C@@H](C)C(=O)NCc4ccc(cc4F)F	M6Y	n-{(2s)-1-({(2s)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
+CNC(=O)c1c2cc(ccc2[nH]n1)I	M6Z	5-iodanyl-~{n}-methyl-1~{h}-indazole-3-carboxamide
+CO[C@H](c1ccccc1)[C@H](C(=O)O)O	M72	(2r,3r)-2-hydroxy-3-methoxy-3-phenylpropanoic acid
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@H](C)C(=O)OC)O)S(=O)(=O)c2ccc(cc2)OC	M73	methyl (2s)-3-({[(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamoyl}oxy)-2-methylpropanoate
+c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)O	M74	(2s,3r)-2,3-dihydroxy-3-phenylpropanoic acid
+c1c(nc[nH]1)S(=O)(=O)NC2CC2	M75	~{n}-cyclopropyl-1~{h}-imidazole-4-sulfonamide
+c1ccc2c(c1)C(=C(N(C2=O)O)O)C(=O)NCc3ccc(cc3)F	M76	n-(4-fluorobenzyl)-2,3-dihydroxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
+c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3	M77	5-(1,4-diazepan-1-sulfonyl)isoquinoline
+Cc1c([nH]c2c1cc(cc2)C(=O)NC)C	M78	~{n},2,3-trimethyl-1~{h}-indole-5-carboxamide
+CN1CN(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	M7A	7-methyl, adenosine-5'-monophosphate
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O)OP(=O)(O)O	M7B	7-o-phosphono-d-glycero-beta-d-manno-heptopyranose
+c1ccc(cc1)C(=O)/N=C\2/NC(=O)[C@]3(S2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	M7C	n-[(2z,5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide
+C[C@]1(Cn2cccc2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N	M7D	n-{3-[(3r)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
+B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)C	M7E	1-alpha-hydroxy-27-nor-25-o-carbonyl-vitamin d3
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O	M7G	7n-methyl-8-hydroguanosine-5'-diphosphate
+CC(=O)N1CCC(CC1)c2cc3c(n2C)ncc(n3)c4ccc(cc4)OC	M7H	1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone
+c1cc(cc(c1)F)CNCCc2ccc3ccc(nc3c2)N	M7K	7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine
+CN1CN(C2=C1C(=O)N=C(N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O	M7M	n,n,7-trimethylguanosine 5'-(trihydrogen diphosphate)
+CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3	M7N	~{n}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide
+c1ccc(cc1)CNC(=O)Nc2ccccc2C(=O)O	M7O	2-[(phenylmethyl)carbamoylamino]benzoic acid
+C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O	M7P	7-o-phosphono-d-glycero-alpha-d-manno-heptopyranose
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@@H](Cc6ccccc6)C(=O)O	M7R	(2r)-2-benzyl-3-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](Cc6ccccc6)C(=O)O	M7S	(2s)-2-benzyl-3-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid
+c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc(cc3)CN4CCCC4	M7T	~{n}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O	M7U	(2r)-2-(hexadecanoyloxy)-3-{[(10r)-10-methyloctadecanoyl]oxy}propyl phosphate
+CCCC[C@@]1(C[C@H]1[C@@H](C(=O)O)N)C(=O)O	M7V	(1s,2r)-2-[(s)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid
+CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)NCc3ccc(nc3)OC	M7W	4-(4-ethanoylphenyl)-~{n}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide
+CC1(CN(C(=O)N1c2ccccc2/C=C/C(=O)NO)C3CCCC3)C	M7Y	(2e)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-n-hydroxyprop-2-enamide
+c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)Cl	M7Z	4-chloranyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide
+c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CCC(=O)O)NC(=O)OCc3ccccc3	M80	3-[4-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)phenyl]propanoic acid
+c1ccc(c(c1)Cn2c(cc(n2)C(=O)O)C(=O)O)Cl	M81	1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
+c1cc(ccc1C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4)I	M82	4-iodanyl-~{n}-[2-(piperidin-1-ylmethyl)-3~{h}-benzimidazol-5-yl]benzamide
+c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N	M83	5-(3-cyanophenyl)furan-2-carboxylic acid
+c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O	M84	3-{4-[(phenylcarbonyl)amino]phenyl}propanoic acid
+CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N	M85	7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OCCN2CCNC2=O)O)S(=O)(=O)c3ccc(cc3)OC	M86	2-(2-oxoimidazolidin-1-yl)ethyl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
+c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N	M87	7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine
+CCCCCCC/C=C\CCCCCCC(=O)OC[C@H](CO)O	M88	1-(8z-hexadecenoyl)-rac-glycerol
+c1ccc(cc1)COC(=O)N2CCC[C@@H]2C(=O)Nc3ccc(cc3)CCC=O	M8A	benzyl (2r)-2-{[4-(3-oxopropyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate
+CC(C)(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	M8B	methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3z,8s,11r)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	M8C	methyl alpha-d-galactopyranuronate
+CCCCCc1cc2c(cccc2nc1N)Cc3cccc(c3)CN	M8D	5-[[3-(aminomethyl)phenyl]methyl]-3-pentyl-quinolin-2-amine
+C[N@@](CCCCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2c(nc3c2ncnc3N)C=C)O)O	M8E	5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine
+CSCC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	M8F	n-[(5s)-5-amino-5-carboxypentanoyl]-l-cysteinyl-d-methionine
+c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccccc3/C=C/C(=O)NO	M8G	n-{2-[(1e)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide
+c1cc(ccc1NC(=O)CN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N	M8J	2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-n-(4-sulfamoylphenyl)acetamide
+c1cc(ccc1C#N)C(=O)Nc2ccc3c(c2)nc([nH]3)CN4CCCCC4	M8K	4-cyano-~{n}-[2-(piperidin-1-ylmethyl)-1~{h}-benzimidazol-5-yl]benzamide
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCON)O)O)N	M8M	5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine
+Cc1cc(ccc1NCNO)CCC(C)C	M8N	~{n}-[[[2-methyl-4-(3-methylbutyl)phenyl]amino]methyl]hydroxylamine
+C(C(=O)CC(=O)O)C(=O)C=CC(=O)O	M8O	4-maleylacetoacetic acid
+c1ccc2cc(ccc2c1)C(=O)/N=C\3/NC(=O)[C@]4(S3)[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	M8P	n-[(2z,5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]naphthalene-2-carboxamide
+CS(=O)(=O)NCc1cccc(c1)c2cccc(c2)C(=O)O	M8Q	3-[3-(methylsulfonylaminomethyl)phenyl]benzoic acid
+c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O)S(=O)(=O)N	M8S	2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-n-(4-sulfamoylphenyl)acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6ncnc7N)O)F)N	M8T	2'-fluoro-,3',3'-c-di-amp
+c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)S(=O)(=O)N	M8V	2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-n-(4-sulfamoylphenyl)acetamide
+CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	M8Y	methyl n-[(2s)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3z,8s,11r)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+CC(C)(C#N)c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(C)(C)C#N	M8Z	2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide
+CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](COc2ccncc2)O)NC(=O)[C@H](Cc3ccccc3)OC(=O)N4CCC(CC4)N	M90	(2s)-1-{[(2r)-1-{[(2s,3r)-1-cyclohexyl-3-hydroxy-4-(pyridin-4-yloxy)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate
+CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](CN2C=CC=CC2=O)O)NC(=O)[C@H](Cc3ccccc3)OC(=O)N4CCC(CC4)N	M91	(2s)-1-{[(2r)-1-{[(2s,3s)-1-cyclohexyl-3-hydroxy-4-(2-oxopyridin-1(2h)-yl)butan-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl 4-aminopiperidine-1-carboxylate
+CC(C)c1cc(cc(n1)C(C)C)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N	M92	2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide
+CNCCc1cccc(c1)OCc2ccc3ccc(nc3c2)N	M94	7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
+c1ccc(cc1)C[C@@H](CO)NC(=O)/C=C/C2=NC(=O)c3ccccc3N2	M95	(2e)-n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide
+C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1O)O)O)O)CO	M96	(1~{s},2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)C4=C[n+]5cccc6c5c4ccc6	M97	1-[(3r,4r)-4-(1h-indol-3-yl)-2,5-dioxopyrrolidin-3-yl]pyrrolo[3,2,1-ij]quinolinium
+c1cc(c[n+](c1)[O-])C[C@@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O	M98	(s)-3-(2-(3-cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)ethy l)pyridine 1-oxide
+c1cc(c[n+](c1)[O-])C[C@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O	M99	(r)-3-(2-(3-cyclopropoxy-4-(difluoromethoxy)phenyl)-2-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)ethyl)pyridine 1-oxide
+c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cc(cc4c3ccc(c4)C#N)F	M9A	5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	M9B	1-alpha-hydroxy-vitamin d3
+C[C@@H](c1[nH]c(cn1)c2ccccc2F)N	M9D	(1s)-1-[5-(2-fluorophenyl)-1h-imidazol-2-yl]ethan-1-amine
+CNCC(=O)NCc1ccc(cc1)CNC(=O)CNC	M9E	2-(methylamino)-~{n}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide
+CC([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)SC	M9F	(2s)-2-amino-6-[[(2r)-1-[[(2s)-1-hydroxy-3-methylsulfanyl-1-oxo-butan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid
+Cc1cc(no1)C(=O)N[C@@H](CC(=O)N2CCC[C@@H]2c3ccccc3)C(=O)N[C@@H](C)c4[nH]c(cn4)c5ccccc5F	M9G	n-{(2s)-1-({(1s)-1-[5-(2-fluorophenyl)-1h-imidazol-2-yl]ethyl}amino)-1,4-dioxo-4-[(2r)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide
+CNCC(=O)NCc1cccc(c1)CNC(=O)CNC	M9H	2-(methylamino)-~{n}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide
+c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC7CCC7	M9J	n-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2s)-pyrrolidin-2-yl]methyl}-1h-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine
+c1nc2c(c(sc2c(n1)SCC(=O)O)Cl)C3CC3	M9K	2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid
+Cc1cc(no1)CN2c3ccc(cc3OCC2=O)CCCCC4CCN(CC4)C	M9M	4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2h-1,4-benzoxazin-3(4h)-one
+Cc1c(c2c(s1)NCN[C@H]2SCC(=O)O)Cl	M9N	2-[[(4~{s})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid
+C(C[C@@H]([C@@H](C(F)(F)F)O)N)CNC(=[NH2+])N	M9P	amino{[(4s,5s)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium
+CCOC(=O)/C=C\C1(CC1)[C@@H](/C=C/[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C)O	M9Q	ethyl (~{z})-3-[1-[(~{e},1~{r},4~{r})-4-[(1~{r},3~{a}~{s},4~{e},7~{a}~{r})-7~{a}-methyl-4-[(2~{z})-2-[(3~{s},5~{r})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{h}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate
+c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6	M9S	5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2s)-pyrrolidin-2-yl]methyl}-1h-indole
+Cc1cc(ccc1Nc2ncc3c(n2)N(C(=O)N3C)C4CCC(CC4)O)OC	M9T	2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one
+C[C@](Cn1cc[n+](n1)C)([C@H](C(=O)O)N/C=C/C=O)S(O)O	M9W	enmetazobactam derived trans-enamine adduct.
+c1cc2c(ccn2CCC3CCNCC3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC(F)(F)F	M9Y	3-(2-{1-[2-(piperidin-4-yl)ethyl]-1h-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-n-(2,2,2-trifluoroethyl)prop-2-yn-1-amine
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)NCCCn3cc(nn3)CN)S(=O)(=O)c4ccccc4	M9Z	~{n}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide
+C[C@@H](C(=O)OC)N	MA	methyl l-alaninate
+C/[N+](=C\C=C)/[C@@H]1CCc2c1cc(cc2)O	MA0	(1r)-6-hydroxy-n-methyl-n-[(1z)-prop-2-en-1-ylidene]indan-1-aminium
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)S)O	MA1	1,4-dithio-alpha-d-glucopyranose
+CS[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO	MA2	4-s-methyl-4-thio-alpha-d-glucopyranose
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O	MA3	methyl 4-thio-alpha-d-glucopyranoside
+C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	MA4	cyclohexyl-hexyl-beta-d-maltoside
+C1CCC(CC1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	MA5	2-(6-(2-cyclohexylethoxy)-tetrahydro-4,5-dihydroxy-2(hydroxymethyl)-2h-pyran-3-yloxy)-tetrahydro-6(hydroxymethyl)-2h-py ran-3,4,5-triol
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	MA6	6n-dimethyladenosine-5'-monophoshate
+C[n+]1cnc2c(c1N)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	MA7	1n-methyladenosine-5'-monophosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@@H]([C@H]2O)O)O)O)O)NC(=O)[C@H](CS)N)O)O)O	MA8	(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl 2-(l-cysteinylamino)-2-deoxy-alpha-d-glucopyranoside
+CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3CC[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F	MA9	(3r,4r)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine
+C[C@@H](C(=O)O)NC	MAA	n-methyl-l-alanine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)O)CO)O)O)O)O	MAB	mannobiose
+CC(=O)O[Hg+]	MAC	mercury acetate ion
+[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C	MAD	6-hydro-1-methyladenosine-5'-monophosphate
+C(=C/C(=O)O)/C(=O)O	MAE	maleic acid
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)F)O)O)O	MAF	2-deoxy-2-fluoro-alpha-d-mannopyranose
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O	MAG	methyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
+CC(CC(=O)O)(CC(=O)O)O	MAH	3-hydroxy-3-methyl-glutaric acid
+C[C@H]([C@H](CCCNC(=N)N)N)O	MAI	deoxo-methylarginine
+c1cc2c(cc1S(=O)(=O)N)CCC2	MAJ	indane-5-sulfonamide
+C(=O)(C(=O)O)C(=O)O	MAK	alpha-ketomalonic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	MAL	maltose
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MAM	1-o-methyl-alpha-d-mannose
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O	MAN	alpha-d-mannopyranose
+C[N@@](CCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	MAO	5'-deoxy-5'-[n-methyl-n-(2-aminooxyethyl) amino]adenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[Mg])O[P@](=O)(NP(=O)(O)O)O)O)O)N	MAP	magnesium-5'-adenyly-imido-triphosphate
+Cc1cccc2c1NC(=NC2=O)N	MAQ	2-amino-8-methylquinazolin-4(3h)-one
+C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2N)O[C@H]3C[C@@](Cc4c3c(c5c(c4O)C(=O)c6cccc(c6C5=O)OC)O)(C(=O)C)O)C)O)O	MAR	4'-epi-4'-(2-deoxyfucose)daunomycin
+CN(C)S(=O)(=O)O	MAS	dimethylsulfamic acid
+CC(C)N[C@H]1CO[C@H](C[C@@H]1OC)O	MAT	2,4-dideoxy-3-o-methyl-4-(propan-2-ylamino)-alpha-l-threo-pentopyranose
+CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O	MAU	n-methyl kirromycin
+[C@@H]1([C@@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O	MAV	alpha-d-mannopyranuronic acid
+C1=C(O[C@H]([C@H]([C@H]1O)O)O)C(=O)O	MAW	4-deoxy-alpha-l-erythro-hex-4-enopyranuronic acid
+COc1cc(ccc1O)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O	MAX	matairesinol
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC[P@](=O)(OC)F	MAY	methyl arachidonyl fluorophosphonate
+c1cc(cc(c1)N)COC=O	MAZ	formic acid 3-amino-benzyl ester
+Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C	MB0	(4r)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
+c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N)Cl	MB1	2-chloro-5-nitrobenzenesulfonamide
+c1cc(ccc1F)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N	MB2	5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
+CN1CCCC1=O	MB3	1-methylpyrrolidin-2-one
+Cc1ccccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N	MB4	5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
+CC1(c2c(c3ccc(cc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	MB5	(5as,12as,13as)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+c1cc(ccc1S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N)Cl	MB6	5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
+Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N	MB7	5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide
+C/C=C(/C)\C(=O)O	MB8	(2z)-2-methylbut-2-enoic acid
+Cn1c2cc(ccc2c3c1C(=O)NC4([C@@H]3C#N)CCNCC4)Cl	MB9	(4r)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
+CC[C@H](C)CN	MBA	2-methylbutylamine
+Cc1cc(ccc1c2[nH]c3ccc(cc3n2)c4[nH]c5ccc(cc5n4)N6CCN(CC6)C)N(C)C	MBB	2'-(3-methyl-4-dimethylaminophenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole
+[H]/N=C(\c1ccc(cc1)c2ccc(o2)c3[nH]c4ccc(cc4n3)/C(=N\[H])/N)/N	MBC	2-(5-{4-[amino(imino)methyl]phenyl}-2-furyl)-1h-benzimidazole-5-carboximidamide
+Cc1cccc(c1O)O	MBD	3-methylcatechol
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	MBE	4-nitrophenyl beta-d-mannopyranoside
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)F)O)O)O	MBF	2-deoxy-2-fluoro-beta-d-mannopyranose
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	MBG	methyl beta-d-galactopyranoside
+C[N@@+](Cc1ccccc1)(CC(=O)O)N	MBH	(1r)-1-benzyl-1-(carboxymethyl)-1-methyldiazanium
+CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)NCCCCN)S(=O)(=O)c3ccccc3	MBK	~{n}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide
+CCCCCn1cc(nc1N)c2ccccc2	MBL	1-pentyl-4-phenyl-imidazol-2-amine
+Cc1cc2cc(ccc2o1)/N=C(\N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)/NC(=O)c5cccnc5	MBM	n-{n'-(2-methyl-1-benzofuran-5-yl)-n-[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide
+Cc1ccccc1	MBN	toluene
+c1cc(ccc1C(=O)O)[Hg]	MBO	mercuribenzoic acid
+CC(C)C(=O)COc1c2c(nc[nH]2)nc(n1)N	MBP	1-[(2-amino-6,9-dihydro-1h-purin-6-yl)oxy]-3-methyl-2-butanol
+Cc1ccc(cc1)OC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N	MBQ	2-hydroxy-5-({1-[(4-methylphenoxy)methyl]-3-oxoprop-1-enyl}amino)-l-tyrosine
+C(Br)(Br)Br	MBR	tribromomethane
+COCC#CC[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC	MBS	r-2-{[4'-methoxy-(1,1'-biphenyl)-4-yl]-sulfonyl}-amino-6-methoxy-hex-4-ynoic acid
+CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C	MBT	3,7-bis(dimethylamino)phenothiazin-5-ium
+CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)CC)CCC(=O)O)C)C)CCC(=O)O)C	MBV	mesobiliverdin iv alpha
+Cc1cc2ncnn2cc1Nc3ncc4c(n3)N(C(=O)N4C)C5CCOCC5	MBW	7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one
+C[C@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C=C)C#N)CC(OC3)(C)C	MBX	~{n}-[4-[2-[[5-cyano-8-[(2~{s},6~{s})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide
+c1c(c2c(s1)c(ncn2)O)CN3C[C@@H]([C@@H]([C@H]3CO)O)O	MBY	(2r,3r,4s)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol
+Cc1cccc2c1ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	MBZ	1-[2-deoxyribofuranosyl]-4-methyl-benzoimidazole-5'-monophosphate
+CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H]([C@@H]3O)N)COC(=O)N)N	MC	1,2-cis-1-hydroxy-2,7-diamino-mitosene
+C[C@@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MC0	(s)-methylmalonyl-coenzyme a
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H](C(=O)[O-])N)NC(=O)c2c(cccc2OC)OC)C(=O)[O-])C	MC1	methicillin acyl-serine
+[H]/N=C(\N)/NCCC[C@@H](C(=O)Nc1ccc2ccccc2c1)NC(=O)[C@H](Cc3ccccc3)N	MC2	n2-(l-phenylalanyl)-n1-(naphthalenyl)-l-arigninamide
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	MC3	1,2-dimyristoyl-rac-glycero-3-phosphocholine
+C/C(=C(\[O-])/SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)C	MC4	2-methylacetoacetyl coa
+c1ccc(c(c1)COc2ccc3cc(ccc3c2)C[C@H]4C(=O)NC(=O)S4)F	MC5	(5s)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](C/N=C\2/N[S@@](OO2)(N3C(=O)N(C(=N3)c4cc(c(cn4)O)O)C[C@H](CO)O)O)C=O	MC8	2-({[(1z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(1s)-2-{[(3r,5z)-3-{4-[(2r)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1h-1,2,4-triazol-1-yl}-3-hydroxy-1,2,3lambda~4~,4-dioxathiazolidin-5-ylidene]amino}-1-formylethyl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid
+C[C@H](\C=C\[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C	MC9	calcipotriol
+C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MCA	methylmalonyl-coenzyme a
+CC=O	MCB	methylene carbonyl group
+C[C@@H](C(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O	MCD	methylmalonyl(carbadethia)-coenzyme a
+CCCl	MCE	chloroethyl group
+CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=CNC[C@H]3O)O)O	MCF	(8r)-3-(5-s-methyl-5-thio-beta-d-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
+C[C@](c1ccc(cc1)C(=O)O)(C(=O)O)N	MCG	(s)-(alpha)-methyl-4-carboxyphenylglycine
+C(Cl)(Cl)Cl	MCH	trichloromethane
+c1ccc(cc1)CC[C@H](CS)C(=O)N=C(c2ccc(s2)Cn3cnnn3)C(=O)O	MCI	(2-mercaptomethyl-4-phenyl-butyrylimino)-(5-tetrazol-1-ylmethyl-thiophen-2-yl)-acetic acid
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)OC[C@H](C(=O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O	MCJ	n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2s)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({n-[(2,3-dihydroxyphenyl)carbonyl]-l-seryl}oxy)propanoyl]-d-serine
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@H](CO)N)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O	MCK	n-[(2,3-dihydroxyphenyl)carbonyl]-o-[(2s)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(l-seryloxy)propanoyl]-l-serine
+C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	MCL	nz-(1-carboxyethyl)-lysine
+CC1=CC(=O)Oc2c1ccc(c2)N	MCM	7-amino-4-methyl-chromen-2-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O	MCN	pterin cytosine dinucleotide
+C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O	MCO	1-(3-mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic acid
+C[C@@H]1CCN[C@H](C1)C(=O)O	MCP	2-carboxy-4-methylpiperidine
+CSCCC(C1=NC(C(=O)N1CC(=O)O)[C@H](c2ccc(cc2)O)SCCO)N	MCQ	{(4s)-2-[(1r)-1-amino-3-(methylsulfanyl)propyl]-4-[(s)-[(2-hydroxyethyl)sulfanyl](4-hydroxyphenyl)methyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C(C(=O)O)S	MCR	sulfanylacetic acid
+C([C@@H](C(=O)O)N)SC(=O)CC(=O)O	MCS	malonyl cysteine
+Cc1ccc(c(c1)O)O	MCT	4-methylcatechol
+CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)OC)O)O)O	MCU	methyl 4-o-methyl-beta-d-glucopyranuronate
+COc1ccc(c(c1)CCc2csc3c2c(nc(n3)N)N)OC	MCV	5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
+COC1=CC(=O)C=CC1=O	MCW	2-methoxycyclohexa-2,5-diene-1,4-dione
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)C)C(=O)N[C@@H](CC4CCC4)[C@H](C(=O)N)O)C	MCX	(1r,2s,5s)-n-[(2s,3r)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-n-[(1-methylcyclohexyl)c arbamoyl]-l-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O	MCY	5-methyl-2'-deoxycytidine
+C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OCCC(C)(C)O	MCZ	(1s,3r,5z,7e,14beta,17alpha,20s)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol
+C[C@H](CCN)[C@H](C(=O)O)N	MD0	5-amino-d-isoleucine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C(\[C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N	MD1	phosphoric acid 4-(2-amino-4-oxo-3,4,5,6,-tetrahydro-pteridin-6-yl)-2-hydroxy-3,4-dimercapto-but-3-en-yl ester guanylate ester
+C=C=CCNCCCCNCC=C=C	MD2	n,n'-bis(2,3-butadienyl)-1,4-butane-diamine
+c1ccc2cc(ccc2c1)CSC[C@@H](C(=O)O)NC(=O)C(=O)O	MD3	n-(carboxycarbonyl)-s-(naphthalen-2-ylmethyl)-l-cysteine
+C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)c4ccncc4)C	MD4	(3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1h-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane
+c1cc(cc(c1)[N+](=O)[O-])CSC[C@@H](C(=O)O)NC(=O)C(=O)O	MD5	n-(carboxycarbonyl)-s-(3-nitrobenzyl)-l-cysteine
+c1cc(c(nc1)C(=O)NCC(=O)O)O	MD6	n-[(3-hydroxypyridin-2-yl)carbonyl]glycine
+c1ccc(cc1)c2ccc(cc2)NC(=O)/C(=C(/C3CC3)\O)/C#N	MD7	(2z)-n-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)O)N	MD8	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Mg]36[N]7=C(C=C8N6C(=C5)C(=C8)C)C(=CC7=C2)C)C)CCC(=O)O	MD9	magnesium deuteroporphyrin ix
+C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O	MDA	2,6-dideoxy-3-c-methyl-beta-d-ribo-hexopyranose
+CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2ccccc2OC	MDB	(s)-n-(cyclopentylmethyl)-n-(2-(hydroxyamino)-2-oxoethyl)-2-(3-(2-methoxyphenyl)ureido)-3,3-dimethylbutanamide
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)NC=CN3C(=O)CCC3=O	MDC	n-[2-(1-maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide
+C(C=O)C=O	MDD	malonaldehyde
+CCCCC[C@@H](C\C=C\C(=O)SCCNC(=O)CCNC(C(=O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]2c[nH]c3c2ncnc3N)O)OP(=O)(O)O)O)SCC=O	MDE	5-mercaptoethanol-2-decenoyl-coenzyme a
+COC(=O)[C@H](c1cc(cc(c1)O)O)N	MDF	meta, meta'-di-hydroxy-phenylalanine
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O	MDG	7n-methyl-8-hydroguanosine-5'-diphosphate
+C\C=C(\C(=O)O)/NC	MDH	n-methyldehydrobutyrine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=C(C2=O)CO)N)COP(=O)(O)O)O	MDJ	4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1h)-one
+CC1=C(C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N	MDK	4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3-methylpyridin-2(1h)-one
+CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)C(C(F)(F)F)(F)F	MDL	[dehydroxy-n-methyl-tyrosyl-prolinyl]-[4,4,5,5,5-pentafluoro-3-oxy-1-[3-indolyl]-pent-2-yl]amine
+C(P(=O)(O)O)P(=O)(O)O	MDN	methylenediphosphonic acid
+C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N	MDO	{2-[(1s)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N(C)C(=O)O	MDP	n-carboxyl-n-methyl-beta-muramic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=[N+](C2=O)C[O-])N)COP(=O)(O)O)O	MDQ	2'-deoxy-3-(oxidomethyl)cytidine 5'-(dihydrogen phosphate)
+Cc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O	MDR	9-(2-deoxy-beta-d-ribofuranosyl)-6-methylpurine
+CSCC[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)O)N	MDS	n-[methionyl]-n'-[adenosyl]-diaminosulfone
+CC1=CN(C(=O)N(C1=O)CO)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MDU	3-(hydroxymethyl)thymidine 5'-(dihydrogen phosphate)
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CN4C2=N[C@H]([C@@H]4O)O	MDV	(7s,8s)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7,8-dihydro-3h-imidazo[2,1-i]purine-7,8-diol
+COc1ccc(cc1)S(=O)(=O)[N@]2CCc3cc(c(cc3[C@@H]2C(=O)NO)OC)O	MDW	(1r)-n,6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
+C(CCCCCS)CCCCC(=O)O	MDX	11-mercaptoundecanoic acid
+C/C(=C(\C#N)/C(=O)Nc1ccc(cc1Cl)c2ccccc2OC)/O	MDY	(2z)-n-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide
+CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N	MDZ	n~6~-methyl-6-oxo-l-lysine - 2-[(3-mercaptobutanoyl)oxy]-3-methylbutanoic acid
+C(CSCO)[C@@H](C(=O)O)N	ME0	hydroxy-l-methionine
+c1cc(ccc1C(=O)NCCNC(=O)c2ccc(s2)Cl)N3C=CC=CC3=O	ME1	5-chloro-n-(2-(4-(2-oxopyridin-1(2h)-yl)benzamido)ethyl)thiophene-2-carboxamide
+CCOCCOCCOC	ME2	1-ethoxy-2-(2-methoxyethoxy)ethane
+CCOC(=O)C12[C@@H]3[Ru]1456([C@@H]3[C@H]4[C@H]52)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)NC2=O)C=CC=[N]61)O)[CH]#O	ME3	ruthenium-pyridocarbazole-3
+c1cc(ccc1C(=O)N[C@H]2CCCC[C@H]2NC(=O)c3ccc4c(c3)[nH]cc4Cl)N5C=CC=CC5=O	ME4	3-chloro-n-((1r,2s) -2-(4-(2-oxopyridin-1(2h)-yl)benzamido)cyclohexyl)-1h-indole-6-carboxamide
+c1cc(ccc1C(=O)N[C@H]2CCC[C@H]2NC(=O)c3ccc(s3)Cl)N4C=CC=CC4=O	ME5	5-chloro-n-((1r,2s)-2-(4-(2-oxopyridin-1(2h)-yl)benzamido) cyclopentyl)thiophene-2-carboxamide
+C[N+]1=C(C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N	ME6	[(2r,3s,5r)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
+C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O	ME7	1,1'-ethane-1,2-diylbis(1h-pyrrole-2,5-dione)
+CSCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	ME8	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-azanyl-4-methylsulfanyl-butanoate
+C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O	ME9	1,1'-butane-1,4-diylbis(1h-pyrrole-2,5-dione)
+CN[C@@H](Cc1ccccc1)C(=O)O	MEA	n-methylphenylalanine
+CC(=C)C	MEB	2-methylprop-1-ene
+CCNC(=O)OC	MEC	ethyl-carbamic acid methyl ester
+CSCC[C@H](C(=O)O)N	MED	d-methionine
+CS	MEE	methanethiol
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2)C(=O)NC(=N4)N	MEF	n-({4-[(6ar)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9h)-yl]phenyl}carbonyl)-l-glutamic acid
+C[C@@H](CC(=O)O)[C@@H](C(=O)O)N	MEG	(2s,3s)-2-azanyl-3-methyl-pentanedioic acid
+C[C@@H](CCCC(C)(C)OC)C\C=C\C(=C\C(=O)O)\C	MEI	(2e,4e)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid
+C[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2	MEJ	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-n-[(1s)-1-phenylethyl]propanamide
+c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)COCCO)C(=O)NOCCO	MEK	3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide
+c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)N	MEL	[((1r)-2-{(2s)-2-[({4-[amino(imino)methyl]benzyl}amino)carbonyl]azetidinyl}-1-cyclohexyl-2-oxoethyl)amino]acetic acid
+C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O	MEM	(4r,5s,6s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
+CNC(=O)C[C@@H](C(=O)O)N	MEN	n-methyl asparagine
+O.O	MEO	oxygens bound to met sd
+C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O	MEP	phosphoric acid mono-[4-methoxy-3-methyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester
+CNC(=O)CC[C@@H](C(=O)O)N	MEQ	n5-methylglutamine
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O	MER	(4r,5s)-3-{[(3s,5s)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1h-pyrrole-2-carboxylic acid
+C1COCC[NH+]1CCS(=O)(=O)[O-]	MES	2-(n-morpholino)-ethanesulfonic acid
+CSCC[C@@H](C(=O)O)N	MET	methionine
+CSCC[C@@H](C(=O)[O-])[NH-]	MET_LEO2	l-methionine c-terminal deprotonated fragment
+CSCC[C@@H](C(=O)O)[NH-]	MET_LEO2H	l-methionine c-terminal protonated fragment
+CSCC[C@@H](C(=O)O)N	MET_LFOH	l-methionine free neutral
+CSCC[C@@H](C(=O)[O-])[NH3+]	MET_LFZW	l-methionine free zwitterion
+CSCC[C@@H]([C-]=O)[NH-]	MET_LL	l-methionine - linking embedded fragment
+CSCC[C@@H]([C-]=O)[NH3+]	MET_LSN3	l-methionine n-terminal protonated fragment
+COC(=O)CN	MEU	o-methyl-glycine
+C[C@@](CCO)(CC(=O)[O-])O	MEV	(r)-mevalonate
+CC1=Nc2ccccc2C(=O)N1	MEW	2-methylquinazolin-4(3h)-one
+c1ccc2c(c1)NC(=O)N2c3ccc(cc3O)O	MEX	1-(2,4-dihydroxyphenyl)-1,3-dihydro-2h-benzimidazol-2-one
+c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl	MEY	n-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1h-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide
+C/C(=C\C(=O)O)/C(=O)O	MEZ	(2e)-2-methylbut-2-enedioic acid
+CCCCCCCCCCCCCCCCCCO[C@H](c1cccc2c1cccc2)P(=O)(O)O	MF1	[(s)-(naphthalen-1-yl)(octadecyloxy)methyl]phosphonic acid
+C[C@@H]1CN(C[C@@H](O1)C)CCCCCCCCNC=O	MF2	cis-2,6-dimethylmorpholinooctylcarbamyleseroline
+C(CSC(F)(F)F)[C@@H](C(=O)O)N	MF3	2-amino-4-trifluoromethylsulfanyl-butyric acid
+F[Mg-2](F)(F)F	MF4	tetrafluoromagnesate(2-)
+C[n+]1ccccc1/C=N/OCc2c(c(c(c(c2F)F)F)F)F	MF5	1-(1-methylpyridin-1-ium-2-yl)-n-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine
+CN(C=O)c1c(nc(nc1O)N)N[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MF7	n-{2-amino-5-[formyl(methyl)amino]-6-hydroxypyrimidin-4-yl}-2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosylamine
+[H]/N=C(/N)\N/C(=N\[H])/N(C)C	MF8	metformin
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O	MFA	alpha-l-1-methyl-fucose
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O	MFB	methyl beta-l-fucopyranoside
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)F)O)/C(=O)N1CC(=O)O)N)O	MFC	5-[1-(3-fluoro-4-hydroxy-phenyl)-meth-(z)-ylidene]-3,5-dihydro-imidazol-4-one
+C[C@H](\C=C(/C)\C=C\[C@@H]([C@H](C)C(=O)O)N)[C@@H](Cc1ccccc1)OC	MFD	(2s,3s,8s,9s)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
+c1ccc2c(c1)c(ncn2)NCc3ccc(cc3)Cl	MFE	~{n}-[(4-chlorophenyl)methyl]quinazolin-4-amine
+[H]/N=C/C(=C)CCc1ccc(cc1)F	MFG	(1z)-4-(4-fluorophenyl)-2-methylidenebutan-1-imine
+c1cc(ccc1C[C@@H](CNC(=O)O)N)O	MFH	[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid
+CCC/C=C\CC/C=C\C=C\CO[C@@H](c1cccc2c1cccc2)P(=O)(O)O	MFJ	[(r)-{[(2e,4z,8z)-dodeca-2,4,8-trien-1-yl]oxy}(naphthalen-1-yl)methyl]phosphonic acid
+CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MFK	decanoyl-coa
+c1cc(ccc1c2ccc(o2)/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O)Cl	MFM	(e)-3-(5((5-(4-chlorophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
+c1cc(ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O	MFN	n-[4,5,7-tricarboxyheptanoyl]-l-gamma-glutamyl-n-{2-[4-({5-[(formylamino)methyl]-3-furyl}methoxy)phenyl]ethyl}-d-glutamine
+CC(=O)N(c1ccc2ccccc2c1)c3nc4c(n3[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)NC(=NC4=O)N	MFO	[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O	MFP	((2-bromo-4-methylphenyl){6-[(4-{[(2r)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile
+Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@H](CN(C)C)O	MFQ	((2-bromo-4-methylphenyl){6-[(4-{[(2s)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino)acetonitrile
+COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N	MFR	4-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
+CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MFT	3-methylthymidine 5'-(dihydrogen phosphate)
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O	MFU	methyl alpha-l-fucopyranoside
+Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H]([C@@H](C)O)N)CC(=O)O	MFV	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C1CCC(=O)C1	MFW	cyclopentanone
+COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O	MFX	1-cyclopropyl-6-fluoro-8-methoxy-7-[(4as,7as)-octahydro-6h-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(ccc1CNCCS(=O)(=O)O)Cl	MFY	2-[(4-chlorobenzyl)amino]ethanesulfonic acid
+c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl	MFZ	3-(4,7-dichloro-1h-indol-3-yl)prop-2-yn-1-ol
+[Mg+2]	MG	magnesium ion
+c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)N2CCN(CC2)S(=O)(=O)c3ccc(nc3)N	MG0	2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
+CN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C1N	MG1	2'-deoxy-1-methylguanosine 5'-(dihydrogen phosphate)
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2)S(=O)(=O)c3ccccc3C(F)(F)F	MG2	(2s,4r)-n-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide
+CCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N	MG5	2,3,4-tri-o-propanoyl-6-o-sulfamoyl-beta-d-glucopyranose
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	MG7	7-methylguanosine
+CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O	MG8	n-octanoyl-n-methylglucamine
+CC#C[C@H]1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N	MG9	2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol 
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	MGA	beta-methyl-d-galactoside
+[H]/N=C(\N)/N/N=C/C(=NNC(=N)N)C	MGB	methylglyoxal bis-(guanylhydrazone)
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)O	MGC	methyl 2-acetamido-2-deoxy-alpha-d-galactopyranoside
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N	MGD	2-amino-5,6-dimercapto-7-methyl-3,7,8a,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide
+CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)COC(=O)CCCCCCCCCCCC	MGE	(1s)-2-(alpha-l-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl palmitate
+F[Mg-](F)F	MGF	trifluoromagnesate
+C(C[C@H](C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2+])N	MGG	2-(2-carboxy-acetylamino)-5-guanidino-pentanoic acid
+COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CN(CC(=O)O)C(=O)CCc2ccccc2	MGH	methyl n-(carboxymethyl)-n-(3-phenylpropanoyl)glycyl-d-histidinate
+Cc1cc(c(c(c1)Oc2cc(c(c(c2)O)C(=O)OC)C)O)O	MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate
+CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[N@](CCCc2ccccc2)CC(=O)O	MGJ	n-(carboxymethyl)-n-(3-phenylpropyl)glycyl-n-methyl-l-histidinamide
+COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@](CCCc2ccccc2)CC(=O)O	MGK	methyl n-(carboxymethyl)-n-(3-phenylpropyl)glycyl-l-histidinate
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MGL	methyl beta-d-glucopyranoside
+CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C	MGM	2-[methyl-(5-geranyl-4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate
+C[C@](CCC(=O)N)(C(=O)O)N	MGN	2-methyl-glutamine
+C[n+]1cn(c2c1C(=O)NC(=C2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O	MGO	[[(2r,3s,4r,5r)-5-(6-amino-3-methyl-4-oxo-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O	MGP	7-methyl-guanosine-5'-triphosphate
+c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	MGQ	7-benzyl guanine monophosphate
+CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3	MGR	malachite green
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)OC)O)NC(=O)[C@@H](CCO)O	MGS	methyl 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-2-o-methyl-alpha-d-mannopyranoside
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O	MGT	7n-methyl-8-hydroguanosine-5'-triphosphate
+c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F	MGV	p-fluoro-7-benzyl guanine monophosphate
+COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[N@@](CCc2ccccc2)CC(=O)O	MGW	methyl n-(carboxymethyl)-n-(2-phenylethyl)glycyl-l-histidinate
+[H]/N=C(/N)\NC	MGX	1-methylguanidine
+CNCC(=O)O	MGY	n-methylglycine
+c1cc(cc(c1)O[C@H](c2ccc(cc2)Cl)C(=O)O)C(F)(F)F	MGZ	(2r)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
+CCC1=C(C2=CC3=[N]4C(=CC5=[N]6[Fe]47[N]2=C1C=C8[N]7=C(C=C6C(=C5CCC(=O)O)C)C(=C8C)CC)C(=C3C)CCC(=O)O)C	MH0	mesoheme
+Cn1cc(nc1)C[C@@H](C(=O)O)N	MH1	1-methyl-l-histidine
+O[Mn+2]	MH2	manganese ion, 1 hydroxyl coordinated
+O[Mn+3]	MH3	manganese ion, 1 hydroxyl coordinated
+Cc1cc(ccn1)CNC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)CC3	MH4	1-methyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-n-[(2-methylpyridin-4-yl)methyl]-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+Cc1ccc(s1)CNc2cccc(c2)C(=O)O	MH5	3-[(5-methylthiophen-2-yl)methylamino]benzoic acid
+[H]/N=C(\CO)/C(=O)O	MH6	3-hydroxy-2-iminopropanoic acid
+CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)N(C)CCCC	MH7	n-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-n-methylpyrimidine-5-carboxamide
+C[C@](CCCC=C)(C(=O)O)N	MH8	(2s)-2-amino-2-methylhept-6-enoic acid
+CCCCCCC/C=C/C=C/C(=O)O	MH9	(2e,4e)-dodeca-2,4-dienoic acid
+C(C(=O)N)N(CC(=O)O)CC(=O)O	MHA	(carbamoylmethyl-carboxymethyl-amino)-acetic acid
+Cc1cc(ccc1O)/N=N/c2ccccc2C(=O)O	MHB	2-((3'-methyl-4'-hydroxyphenyl)azo)benzoic acid
+c1ccc2c(c1)c3c([nH]2)CN(CC3)C(=O)CCS	MHC	3-mercapto-1-(1,3,4,9-tetrahydro-b-carbolin-2-yl)-propan-1-one
+Cn1cc(c2c1cccc2)O	MHD	1-methyl-1h-indol-3-ol
+CC(C)(C)CCC(=O)C(=O)O	MHE	5,5-dimethyl-2-oxohexanoic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N	MHF	5,10-methenyl-6,7,8-trihydrofolic acid
+CC[C@H](C)CCN1CN(C2=C1C(=O)NC(=N2)NC)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	MHG	2-methyl, 7-(3-methyl-pentane), guanosine-5'-monophosphate
+CCCCCC[P@@](=O)(O)OC	MHH	methyl hydrogen (r)-hexylphosphonate
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)N	MHI	l-ala-gamma-d-glu-meso-diaminopimelic acid
+c1ccc2c(c1)cccc2S(=O)(=O)N	MHK	naphthalene-1-sulfonamide
+CC(C)(C[C@@H](C(=O)O)NC)O	MHL	n-methyl-4-hydroxy-leucine
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C	MHM	[7,12-diethyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-diporpanoto-(2)-n21,n22,n23,n24,]iron
+CC(C)CCCCCO	MHN	6-methylheptan-1-ol
+C[S@](=O)CC[C@@H](C(=O)O)N	MHO	s-oxymethionine
+C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	MHQ	desmosterol
+CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N	MHR	4-(4-propoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
+Cn1cncc1C[C@@H](C(=O)O)N	MHS	n1-methylated histidine
+CS[C@@H]1CN2CCC1CC2	MHT	(3s)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane
+CN[C@@H](Cc1ccc(cc1)N(C)C)C(=O)O	MHU	4-n,n-(dimethylamino)-l-phenylalanine
+C1CN[C@@H](CC1=O)C(=O)O	MHV	4-oxo-l-pipecolic acid
+c1cc(c(nc1)C(=O)O)O	MHW	3-hydroxypicolinic acid
+C[C@H]([C@@H](C1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(=O)O)N)O	MHY	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C[N@@](CCCNN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	MHZ	5'-deoxy-5'-[(3-hydrazinopropyl)methylamino]adenosine
+CNC(=O)C([C@@H]([C@H](CC1CCCCC1)N)O)(F)F	MI0	(3r,4s)-4-azanyl-5-cyclohexyl-2,2-difluoro-3-hydroxy-n-methyl-pentanamide
+C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N	MI1	3-{(3r,4r)-4-methyl-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile
+[H]/N=C(\c1ccc2c(c1)cc([nH]2)c3ccccc3C)/N	MI2	2-(2-methylphenyl)-1h-indole-5-carboximidamide
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=CNC4=O)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O	MI3	3'-o-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate)
+C[C@@H](\C=C\C[C@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	MI4	(1r,3r,7e,17beta)-17-{(1s,2e,5r)-5-hydroxy-1-methyl-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+Cc1cc(sn1)Nc2cc(nc3n2ncc3c4cnn(c4)C)[C@@H]5CCCNC5	MI5	n-(3-methylisothiazol-5-yl)-3-(1-methyl-1h-pyrazol-4-yl)-5-[(3r)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
+CC(C)(C)C[C@@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@@H]([C@@H](N1)C(=O)NCCN4CCOCC4)c5cccc(c5F)Cl	MI6	(2'r,3r,4'r,5'r)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-n-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
+CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Mo]36(=O)[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C	MI9	oxomolybdenum mesoporphyrin ix
+CC(=CCNc1c2c(nc(n1)SC)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C	MIA	2-methylthio-n6-isopentenyl-adenosine-5'-monophosphate
+CC(=O)\C=C\c1cn(c2c1cccc2)C	MIB	(3e)-4-(1-methyl-1h-indol-3-yl)but-3-en-2-one
+C[C@@]([C@H](CC(=O)O)C(=O)O)(C(=O)O)O	MIC	alpha-methylisocitric acid
+[H]/N=C(/c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)\N	MID	1-[n-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-d-phenylalanyl]piperidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=N)S2)O)O)O)O	MIF	(5r,7r,8s,9s,10r)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one
+C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O	MIG	(2r,3r,4r,5s)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
+c1cc(c(c(c1)Cl)c2c3c(cc[n+]2[O-])c(cc(n3)C4CCNCC4)c5ccc(cc5F)F)Cl	MIH	8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)c3c(cccc3OC)OC)C(=O)O)C	MII	methicillin
+c1cnccc1/C(=N/CCCC[C@@H](C(=O)O)N)/N	MIK	methyl isonicotinimidate lysine
+CC1=C(C=C(C(=O)N1)C#N)c2ccncc2	MIL	milrinone
+Cc1nccn1CCCCc2ccc(cc2)CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3	MIM	[cyclohexylethyl]-[[[[4-[2-methyl-1-imidazolyl-butyl]phenyl]acetyl]-seryl]-lysinyl]-amine
+CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N	MIN	methyl-phe-pro-amino-cyclohexylglycine
+Cc1cc(on1)N	MIO	3-methyl-1,2-oxazol-5-amine
+CC(C)OP(=O)(O)O	MIP	monoisopropyl ester phosphonic acid
+CCO[P@](=O)(O)OC[C@@H](C(=O)O)N	MIR	monoethylphosphorylserine
+CC(C)O[P@](=O)(O)OC[C@@H](C(=O)O)N	MIS	monoisopropylphosphorylserine
+C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=[NH2+])N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)C	MIT	amino{[(4s)-5-[(2r,4r)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3r)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium
+c1cc(cc(c1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)CCCN)C(F)(F)F	MIU	n-{(1s)-1-{[4-(3-aminopropyl)piperazin-1-yl]carbonyl}-4-[(diaminomethylene)amino]butyl}-3-(trifluoromethyl)benzenesulfonamide
+CC[C@@H]1[C@H](\C=C\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](\C=C\C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC	MIV	mycinamicin iv
+c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO	MIX	1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-anthracenedione
+CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O	MIY	(4s,4as,5ar,12as)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2- carboxamide
+Cc1cc([n+](c(c1)C)CCc2c[nH]cn2)C	MIZ	1-[2-(1h-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2F)F)O)/C(=O)N1CC(=O)O)N)O	MJ1	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+Cc1cc(cc(c1)S(=O)(=O)N)C	MJ2	3,5-dimethylbenzenesulfonamide
+Cc1ccc(s1)CNC[C@@H](C)O	MJ4	(2r)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol
+Cc1ccc(c(c1)O)Oc2ccccc2	MJ5	5-methyl-2-phenoxyphenol
+c1cc(cc(c1)c2ccc(cc2)Cl)CNCCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	MJ7	5'-s-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@H](CN)CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	MJ8	5'-({[(2r)-3-amino-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine
+C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)O)O)O)O	MJA	(3r,5r)-3,5-dihydroxy-7-[(1s,2s,6r,8s,8ar)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
+C1CN(CCN1)CCO	MJB	2-piperazin-1-ylethanol
+C[C@H](CCC=C(C)CCC=C(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MJC	dolichyl phosphate mannose
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C	MJD	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+Cc1cc2c(s1)c(nn2C(=O)c3c(cccc3Cl)Cl)c4ccc(cc4)C(=O)O	MJE	4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid
+c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)Cl)C(C(=O)O)C(=O)O	MJF	[(1r)-3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioic acid
+Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CN[C@@H](C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC	MJG	n-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(1s)-1,2,2-trimethylpropyl]amino}methyl)benzamide
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCc3c[nH]cn3)N	MJH	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[2-(1~{h}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide
+CCCCCCCCCCCCCCCCOC[C@H](COCC(F)(F)F)O[P@](=O)(O)OC	MJI	1-hexadecyl-3-trifluoroethyl-sn-glycero-2-phosphate methane
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)O	MJJ	methyl 9-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(s3)Br)N	MJK	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
+CC1=C(C(=O)C2CCCCC2=N1)c3ccc(cc3)Oc4ccccc4	MJM	(4as)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4ah)-one
+c1cc(ccc1NC(=O)CN)Oc2ccc3c(c2)c(c[nH]3)C#N	MJP	2-azanyl-n-[4-[(3-cyano-1h-indol-5-yl)oxy]phenyl]ethanamide
+Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C	MJQ	n-(3-azanylpropyl)-n-[(1r)-1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]-2-methyl-propyl]-4-methyl-benzamide
+B([C@H](CCCC[NH3+])N)(O)OC	MJS	(5r)-5-amino-5-[hydroxy(methoxy)boranyl]pentan-1-aminium
+c1ccc2c(c1)cc3ccccc3c2S(=O)(=O)N	MJT	anthracene-9-sulfonamide
+c1ccc2c(c1)c3c([nH]2)nc(nc3N4CC[C@@H](C4)N)Sc5cc6c(nccn6)nc5	MJU	(3s)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9h-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine
+c1cc(ccc1C(=O)NCCN2CCC(CC2)N3c4ccc(cc4NC3=O)Cl)F	MJV	n-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide
+c1ccc(cc1)COc2ccccc2N	MJW	2-phenylmethoxyaniline
+C[C@@H](CN1CCC2(CC1)C(=O)NCN2c3cccc(c3)F)NC(=O)c4ccc(cc4)Br	MJY	4-bromo-n-{(2s)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N	MJZ	(2s,3s,4r,5r,6r)-5-(acetylamino)-4-amino-6-{[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2h-pyran-2-carboxylic acid
+CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCO[P@](=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MK0	1-o-[(s)-hydroxy{[(4s,8s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-d-mannopyranose
+CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5	MK1	n-[2(r)-hydroxy-1(s)-indanyl]-5-[(2(s)-tertiary butylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4(s)-hydroxy-2(r)-phenylmethylpentanamide
+c1ccc2c(c1)cc(o2)c3cc(cc4c3[nH]nc4)Nc5ccnc(n5)N	MK2	n~4~-[7-(1-benzofuran-2-yl)-1h-indazol-5-yl]pyrimidine-2,4-diamine
+C=NC(=O)c1cc2ccc(cc2s1)c3cc(ccc3O)Nc4ccnc(n4)N	MK3	6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-n-methylidene-1-benzothiophene-2-carboxamide
+c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2Br)Br)Br	MK4	{5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)O)S(=O)(=O)c2ccc(cc2)OC	MK5	2-[(dichloroacetyl)amino]ethyl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
+Cc1cc(cc(c1c2cccc(c2)COc3cc4c(cn3)[C@H]5[C@@H](C4)[C@@H]5C(=O)O)C)OCCCS(=O)(=O)C	MK6	(5ar,6s,6as)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2	MK7	(2s,5r)-1-formyl-n-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide
+CCCC[C@@](C)(C(=O)O)N	MK8	2-methyl-l-norleucine
+CCN(CC)CCCCNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)Cc4cccc(c4)NC(=O)C=C	MK9	n-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl]methyl}phenyl)prop-2-enamide
+C[C@@H](CN1CCC(CC1)N2c3ccccc3NC2=O)NC(=O)c4ccc(cc4)F	MKA	4-fluoro-n-{(2s)-1-[4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
+c1cc2c(cc[nH]2)cc1C(=O)N3CCN(CC3)S(=O)(=O)c4ccc5c(c4)OC(=O)N5	MKB	6-[4-(1~{h}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{h}-1,3-benzoxazol-2-one
+CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2	MKC	6-benzyl-1-ethoxymethyl-5-isopropyl uracil
+CCCCCC[C@@](C)(C(=O)O)N	MKD	(2s)-2-amino-2-methyloctanoic acid
+CC(=O)[C@H](CCC(=O)O)N	MKE	(4s)-4-amino-5-oxohexanoic acid
+C[C@@H](CN1CCC2(CC1)[C@@H](CNC(=O)O2)c3cccc(c3)F)NC(=O)c4ccc(cc4)F	MKG	4-fluoro-n-{(2s)-1-[(5r)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide
+c1ccc(cc1)C(c2ccccc2)([C@H]3CCCN3S(=O)(=O)CCCN4C=CC(=O)NC4=O)O	MKH	1-[3-({(2r)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1h,3h)-dione
+Cc1ccc(c(c1)N2C[C@@](C(=N2)C(=O)C)(CCCN3CCN(CC3)C(=O)C)c4ccccc4)F	MKK	1-[(4r)-4-[3-(4-acetylpiperazin-1-yl)propyl]-1-(2-fluoro-5-methylphenyl)-4-phenyl-4,5-dihydro-1h-pyrazol-3-yl]ethanone
+CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C	MKM	3beta-(2-diethylaminoethoxy)androst-5-en-17-one
+c1cc(sc1)c2ccc(s2)c3cc[nH]n3	MKN	3-(5-thiophen-2-ylthiophen-2-yl)-1~{h}-pyrazole
+Cc1ccc(cc1c2cc3c(nc2)N(C(=O)N3)C(C)(C)C)C(=O)Nc4ccon4	MKP	3-(3-tert-butyl-2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)-4-methyl-n-(1,2-oxazol-3-yl)benzamide
+c1ccc(cc1)c2cc(cc(c2)S(=O)(=O)N)c3ccccc3	MKQ	3,5-diphenylbenzenesulfonamide
+CC(=O)C1=NN2c3cc(ccc3OC[C@H]2[C@@]1(CCCN4CCN(CC4)C(=O)C)c5ccccc5)F	MKR	1-{(3r,3ar)-3-[3-(4-acetylpiperazin-1-yl)propyl]-8-fluoro-3-phenyl-3a,4-dihydro-3h-pyrazolo[5,1-c][1,4]benzoxazin-2-yl}ethanone
+CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)OC)O)O2)O)C	MKS	1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one
+CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C	MKT	1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-one
+CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)O)CCC(O4)(C)C)C	MKU	5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h,6h-pyrano[3,2-b]xanthen-6-one
+c1c(c(c([nH]1)Br)Br)Br	MKV	2,3,4-tribromo-1h-pyrrole
+CCC(=O)N1CCN2c3c4cc(c(cc4ncc3OC[C@H]2C1)c5c(ccc6c5c[nH]n6)C)Cl	MKW	1-[(7r)-16-chloro-15-(5-methyl-1h-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one
+[H]/N=C(\N)/N=C\1/N(c2ccc(cc2S1)O)CC(=O)OCC	MKY	ethyl [(2z)-2-(carbamimidoylimino)-6-hydroxy-1,3-benzothiazol-3(2h)-yl]acetate
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4c(ccc5c4cn[nH]5)C)Cl	MKZ	1-[4-[6-chloranyl-7-(5-methyl-1~{h}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
+c1cc(cc(c1)F)c2ccc(cc2)[C@H](C(F)(F)F)Oc3cc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N	ML0	4-{2-amino-6-[(1r)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-l-phenylalanine
+CC(=O)NCCc1c[nH]c2c1cc(cc2)OC	ML1	n-[2-(5-methoxy-1h-indol-3-yl)ethyl]acetamide
+CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC	ML2	n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]acetamide
+C[N+](C)(C)CCSC[C@@H](C(=O)O)N	ML3	2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}-n,n,n-trimethylethanaminium
+Cc1ccccc1c2ccccc2CNc3cnc(cn3)c4ccc(cc4)C[C@@H](C(=O)O)N	ML4	4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-l-phenylalanine
+CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N	ML5	{(3r)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl}phosphonic acid
+c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N	ML6	7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine
+c1ccc(cc1)c2cccc(c2)C(=O)NNS(=O)(=O)c3ccccc3	ML7	n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
+Cc1c2c(nc(n1)NC)N(C(=O)C(=C2)c3cccc(c3)CO)C4CCCC4	ML8	8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3ccc(nc3)OC)C4CCC(CC4)OCCO	ML9	2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+C(C(=O)O)C(=O)O	MLA	malonic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O)O)O)O)O	MLB	6-o-alpha-d-galactopyranosyl-alpha-d-glucopyranose
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O	MLC	malonyl-coenzyme a
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C	MLD	glcnac(beta1-4)-murnac(1,6-anhydro)-l-ala-gamma-d-glu-meso-a2pm-d-ala
+CC(C)C[C@@H](C(=O)O)NC	MLE	n-methylleucine
+C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C	MLG	n-[3-(2,4-dichlorophenoxy)propyl]-n-methyl-n-prop-2-ynylamine
+CCOC(=O)c1c2cc(c(cc2n(c1CN(C)C)c3ccccc3)Br)O	MLH	ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate
+C(C(=O)[O-])C(=O)[O-]	MLI	malonate ion
+c1ccc2c(c1)CCC[C@H]2NC(=O)CCNC(=O)c3ccc(cc3)OC(F)(F)F	MLJ	~{n}-[3-oxidanylidene-3-[[(1~{r})-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-4-(trifluoromethyloxy)benzamide
+CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C	MLK	methyllycaconitine
+CC(C)C[C@@H](C(=O)OC)N	MLL	methyl l-leucinate
+C(C(=O)N)C(=O)O	MLM	3-amino-3-oxopropanoic acid
+CCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(cc1)[N+](=O)[O-])OP(=O)(O)O	MLN	(s)-2-(phosphonoxy)caproyl-l-leucyl-p-nitroanilide
+C=CCc1ccc(c(c1)c2cc(ccc2O)CC=C)O	MLO	5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol
+C1CC1(N)[P@](=O)(O)[O-]	MLP	1-aminocyclopropylphosphonate
+CCCCCC[C@H](C(=O)O)Sc1nc2ccc(cc2s1)NS(=O)(=O)c3ccc(cc3Cl)Cl	MLQ	(2~{r})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O	MLR	maltotriose
+Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2	MLS	2-fluoro-3-methyl-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
+C([C@H](C(=O)O)O)C(=O)O	MLT	d-malate
+CC(C)C[C@H](C(=O)O)NC	MLU	n-methyl-d-leucine
+c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3	MLV	2-fluoro-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
+c1cc2c3c([nH]c2c(c1)Cl)C=CC=CC3=O	MLW	4-chloranyl-5~{h}-cyclohepta[b]indol-10-one
+c1cc(ccc1N(CCCNC(=O)C(F)(F)F)C(=O)CCl)[N+](=O)[O-]	MLX	n-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide
+CN(C)CCCC[C@@H](C(=O)O)N	MLY	n-dimethyl-lysine
+CNCCCC[C@@H](C(=O)O)N	MLZ	n-methyl-lysine
+CCCNCc1ccc2c(c1)cc3ccc4c(c3n2)cc5cc(ccc5n4)CNCCC	MM0	n,n'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine
+C1C[N@@H]2CC[N@@H]3[Cu]24[N@@H](C1)CC[N@@H]4CCC3	MM1	1,4,8,11-tetraaza-cyclotetradecane cu(ii)
+c1cc(ccc1C[N@]23CCC[N@H]4[Cu@@]25[N@H](CCC[N@H]5CC3)CC4)C[N@@]67CCC[N@H]8[Cu]69[N@H](CCC[N@H]9CC7)CC8	MM2	1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraaza-cyclotetradecane]cu(ii)2
+CC1([C@H]([N@@](CCCS1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)C	MM3	n-hydroxy-4-[(4-methoxylphenyl)sulfonyl]-2,2-dimethyl-hexahydro-1,4-thiazepine-3(s)-carboxamide
+O=[Mo]=O	MM4	molybdenum (iv) oxide
+c1cc(ccc1C[N@]23CCCN4[Ni]25N(CCCN5CC3)CC4)C[N@]67CCC[N@@]8[Ni@@]69[N@](CCC[N@]9CC7)CC8	MM5	1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane]ni(ii)
+C1CN2CCN3[Ni]24N(C1)CCN4CCC3	MM6	nickel(ii)(1,4,8,11-tetraazacyclotetradecane)
+Cc1ccc(c(c1)OC)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MM7	(1r)-1,4-anhydro-2-deoxy-1-(2-methoxy-4-methylphenyl)-5-o-phosphono-d-erythro-pentitol
+Cc1c(cncc1c2ccc(c(c2)OC)C(=O)N)c3ccc(cc3)N4CCNCC4	MM8	2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)N(C)C)\N	MM9	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	MMA	methyl alpha-d-mannopyranoside
+CCCO/N=C(\C)/[C@@H](Cc1ccc(cc1)OCc2c(oc(n2)c3ccccc3)C)C(=O)O	MMB	(2r,3e)-2-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyl}-3-(propoxyimino)butanoic acid
+C[Hg+]	MMC	methyl mercury ion
+CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(nc3)N)N4CCOCC4	MMD	5-(7-methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine
+CN[C@@H](CCSC)C(=O)O	MME	n-methyl methionine
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC)O	MMF	dtdp-3-n-methylamino-3,6-dideoxygalactose
+c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(cc4)C(=O)O	MMG	4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
+Cc1c(c([nH]n1)N/N=C/c2ccc(cc2)OC)C(=O)Nc3cccc(c3)NC(=O)C	MMH	n-[3-(acetylamino)phenyl]-5-{(2e)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1h-pyrazole-4-carboxamide
+CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)O)NC(=O)[C@@H]2CC(=O)NCCCCCCOC(=O)N[C@H](C(=O)N2)C(C)C	MMI	n-[(4s,5s,7r)-8-({(s)-1-[(benzylamino)oxomethyl]-2-methylpropyl}amino)-5-hydroxy-2,7-dimethyl-8-oxo-oct-4-yl]-(4s,7s)-4 -isopropyl-2,5,9-trioxo-1-oxa-3,6,10-triazacyclohexadecane-7-carboxamide
+Cc1c(sc(n1)c2ccccc2)CNC	MMJ	n-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
+CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O	MMK	2-{[(2-{[(e)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid
+Cc1ccc(cc1)C(C)C	MML	1-methyl-4-(1-methylethyl)benzene
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@](C)(CO)C(=O)O)O	MMM	(s,e)-3-hydroxy-2-((3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl)methyleneamino)-2-methylpropanoic acid
+CC(N[C@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O)O	MMN	5-deoxy-5-{[(1s)-1-hydroxyethyl]amino}-d-glucitol
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC	MMO	n~2~-methyl-l-arginine
+CCc1c(c2cc3nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c1n2C)/C(=C5CC)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C	MMP	n-methylmesoporphyrin
+C(P(=O)([O-])[O-])S	MMQ	mercaptomethyl phosphonate
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C	MMR	methyl 2-(acetylamino)-3-o-[(1r)-1-carboxyethyl]-2-deoxy-beta-d-glucopyranoside
+C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N	MMS	mimosine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CON(C)C)O	MMT	5'-o-(dimethylamino)-thymidine
+CNC(=O)NC	MMU	1,3-dimethylurea
+CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O	MMV	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
+c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(F)(F)F	MMW	2-[(3~{s})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide
+c1cc(cnc1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5	MMY	5-(2-morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine
+CN1C=CNC1=S	MMZ	1-methyl-1,3-dihydro-2h-imidazole-2-thione
+[Mn+2]	MN	manganese (ii) ion
+CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O	MN0	methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+C1CNCCC1C(=O)O	MN1	4-carboxypiperidine
+c1cc(ccc1C[NH3+])CNCCC(=O)O	MN2	1-carboxyethylaminomethyl-4-aminomethylbenzene
+[Mn+3]	MN3	manganese (iii) ion
+[OH2][Mn+2]([OH2])([OH2])([OH2])[OH2]	MN5	manganese ion, 5 waters coordinated
+[OH2][Mn]([OH2])([OH2])([OH2])([OH2])[OH2]	MN6	manganese ion, 6 waters coordinated
+CC(C)CNCc1ccc(cc1)C(=O)O	MN7	1-carboxy-4-isobutylaminomethylbenzene
+CC(C)c1c(nc(s1)[C@@H]2Cc3ccccc3CN2)C(=O)O	MN8	2-(4-carcoxy-5-isopropylthiazolyl)benzopiperidine
+CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O	MN9	2-(acetylamino)-2-deoxy-d-mannose
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O	MNA	2-o-methyl-5-n-acetyl-alpha-d-neuraminic acid
+c1cc(c(cc1S)C(=O)O)[N+](=O)[O-]	MNB	5-mercapto-2-nitro-benzoic acid
+C[N+]#[C-]	MNC	methyl isocyanide
+CNC(=O)C[C@H](C(=O)O)N	MND	n-methyl-d-asparagine
+C[C@]1(Cc2cc3c(c(c2[C@@H](C1)OC)O)C(=O)c4c(cc5c(c4C3=O)O[C@H]6[C@H]([C@@H]([C@H]([C@@]5(O6)C)O)N(C)C)O)O)O	MNG	menogaril
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C	MNH	manganese protoporphyrin ix
+CN(C)c1ccc(cc1)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O	MNI	n-{[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]methyl}-4-(dimethylamino)benzamide
+c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F	MNJ	4-fluoro-n'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
+CC1=C2C[C@H](CCC2=C(C(=O)C(=C1)O)O)C(=C)C	MNK	(2s)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6h-benzo[7]annulen-6-one
+CC[C@@H](C)C[C@@H](C(=O)O)NC	MNL	4,n-dimethylnorleucine
+C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO	MNM	(2s,3s,4r,5r)-2,3,4-trihydroxy-5-hydroxymethyl-piperidine
+c1ccc(cc1)[C@@H](C#N)O	MNN	(s)-mandelic acid nitrile
+CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)NS(=O)(=O)C)C=O)NC(=O)c2ccc3ccccc3c2	MNO	(3s)-n-methanesulfonyl-3-({1-[n-(2-naphtoyl)-l-valyl]-l-prolyl}amino)-4-oxobutanamide
+c1cc(cc(c1)[N+](=O)[O-])CC(=O)O	MNP	2-(3-nitrophenyl)acetic acid
+[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1cccc(c1)[N+](=O)[O-])(F)(F)F	MNQ	m-nitrophenyl aminoethyldiphosphate beryllium trifluoride
+Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C	MNR	protoporphyrin ix containing mn
+CN(C)c1cccc2c1cccc2S(=O)(=O)N	MNS	5-(dimethylamino)-1-naphthalenesulfonamide
+CNc1ccccc1C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N	MNT	2'(3')-o-n-methylanthraniloyl-adenosine-5'-diphosphate
+CNCC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	MNU	(2r,4s)-1-[(4r)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(methylamino)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-diol-5'-mon ophosphate
+CC(C)[C@@H](C(=O)N)NC	MNV	n-methyl-c-amino valine
+c1cc(c2c(c1)Oc3c(ccc(c3C2=O)O)[N+](=O)[O-])O	MNX	1,8-di-hydroxy-4-nitro-xanthen-9-one
+c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)N	MNY	5,8-di-amino-1,4-dihydroxy-anthraquinone
+C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCc3ccoc3)CCC=C2C(=O)O)C)O	MNZ	(4~{a}~{r},5~{s},6~{r},8~{s},8~{a}~{r})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid
+[Mo]	MO	molybdenum atom
+C(CC(=O)N)[C@@H](C(=O)O)NC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	MO0	mannopine
+[OH2][Mg+2]	MO1	magnesium ion, 1 water coordinated
+[OH2][Mg+2][OH2]	MO2	magnesium ion, 2 waters coordinated
+[OH2][Mg+2]([OH2])[OH2]	MO3	magnesium ion, 3 waters coordinated
+[OH2][Mg+2]([OH2])([OH2])[OH2]	MO4	magnesium ion, 4 waters coordinated
+[OH2][Mg+2]([OH2])([OH2])([OH2])[OH2]	MO5	magnesium ion, 5 waters coordinated
+[OH2][Mg+2]([OH2])([OH2])([OH2])([OH2])[OH2]	MO6	magnesium ion, 6 waters coordinated
+[O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[Mo]89(=O)(O7[Mo]612(O3)O4[Mo]3(=O)(O18[Mo](=O)(O3)(O9)(O2)[O-])(O5)[O-])[O-])[O-])[O-]	MO7	bis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybdenum (vi)
+Cc1c2c(nc(n1)N)CCSC2	MO8	4-methyl-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-2-amine
+c1ccc(c(c1)CS(=O)(=O)C[C@@H](C(=O)NCC#N)OC(=O)N2CCOCC2)OC(F)F	MO9	(1r)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl morpholine-4-carboxylate
+Cc1c2c(c(c(c1OC)C\C=C(/C)\CCC(=O)O)O)C(=O)OC2	MOA	mycophenolic acid
+COc1cc(cc(c1O)OC)N=Nc2ccccc2C(=O)O	MOB	2-((3',5'-dimethoxy-4'-hydroxyphenyl)azo)benzoic acid
+CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H](C3)N)COC(=O)N)N	MOC	carbamic acid 2,6-diamino-5-methyl-4,7-dioxo-2,3,4,7-tetrahydro-1h-3a-aza-cyclopenta[a]inden-8-ylmethyl ester
+CSCC[C@@H](CO[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=NC32)N)O)O)N	MOD	l-methionyl adenylate
+COCC[O-]	MOE	methoxy-ethoxyl
+C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C	MOF	mometasone furoate
+Cc1nc2c(o1)N=C(NC2=O)N	MOG	5-amino-2-methyl-6h-oxazolo[5,4-d]pyrimidin-7-one
+CO	MOH	methanol
+C[N@]1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O	MOI	(7r,7as,12bs)-3-methyl-2,3,4,4a,7,7a-hexahydro-1h-4,12-methano[1]benzofuro[3,2-e]isoquinoline-7,9-diol
+Cc1c\2c(nc(n1)N)C[C@@H](C/C2=N\O)c3ccc(cc3c4cccnc4)F	MOJ	(5e,7s)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6h)-one oxime
+Cc1c(c(no1)c2ccccc2)C(=O)O	MOK	5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
+c1ccc(cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N	MOL	3-amino-3-benzyl-[4.3.0]bicyclo-1,6-diazanonan-2-one
+O[Mo](=O)=O	MOM	hydroxy(dioxo)molybdenum
+c1cc(ccc1CCNc2nc(nc(n2)SCCCc3ccc(cc3)Cl)N4CCNCC4)O	MON	4-(2-{[4-{[3-(4-chlorophenyl)propyl]sulfanyl}-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amino}ethyl)phenol
+[O-][Mo](=O)(=O)[O-]	MOO	molybdate ion
+CC(C)CCC=O	MOP	4-methylpentanal
+C1COCCN1C(=O)O	MOR	morpholine-4-carboxylic acid
+O=[Mo](=O)S	MOS	dioxothiomolybdenum(vi) ion
+C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	MOT	n-[4-[(2,4-diaminofuro[2,3d]pyrimidin-5-yl)methyl]methylamino]-benzoyl]-l-glutamate
+C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5[C@H]([C@@]6([C@@H]([C@H](O5)C)OC)O[C@H](C(=O)O6)CCCCCCCC(=O)O)O	MOU	(1s,4r,5r,9s,11s)-2-({[(2s,5r,6r,7r,9s,10r)-2-(7-carboxyheptyl)-6-hydroxy-10-methoxy-9-methyl-3-oxo-1,4,8-trioxaspiro[4 .5]dec-7-yl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04.8]tridec-12-ene-1-carboxylic acid
+CCC(=O)N1CCN([C@H](C1)C)C2=NC(=O)N(c3c2cc(c(n3)c4c(cccc4F)O)F)c5c(ccnc5C(C)C)C	MOV	amg 510 (bound form)
+O=[Mo]S	MOW	oxo(sulfanyl)molybdenum(iv) ion
+CO[C@@](C=O)([C@@H]1N=C(C(=C)CO1)C(=O)O)NC(=O)[C@H](c2ccc(cc2)O)C(=O)O	MOX	(2r)-2-[(1r)-1-{[(2s)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-oxazine-4-carboxylic acid
+CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)C(=O)c3ccccc3	MOY	[(4r)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](phenyl)methanone
+C/C(=C(\C(=O)O)/N)/O	MOZ	(2z)-2-amino-3-hydroxybut-2-enoic acid
+CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)NC	MP0	(2r,4s,5s)-5-amino-6-cyclohexyl-4-hydroxy-n-methyl-2-(2-methylpropyl)hexanamide
+CCC1=C(C2=CC3=C(C(=C4[N@]3([Cu@@]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)CC)C	MP1	n-methylmesoporphyrin containing copper
+c1ccc(cc1)COC(=O)N[C@@H](CS)C(=O)NCC(=O)O	MP2	n-[(benzyloxy)carbonyl]-l-cysteinylglycine
+C([C@H](C(=O)O)O)OP(=O)(O)O	MP3	3-phosphoglyceric acid
+Cc1c(cc(cc1O)[C@@H](C(=O)O)N)O	MP4	(2s)-amino(3,5-dihydroxy-4-methylphenyl)ethanoic acid
+Cc1ncc(c(n1)N)COP(=O)(O)O	MP5	(4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate
+C[C@H](C(C)(C)C)Nc1c2ccc(cc2c3c(n1)C(=CCC4CC4)C=NC3=O)c5c[nH]nc5	MP6	4-(2-cyclopropylethylidene)-9-(1h-pyrazol-4-yl)-6-{[(1r)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4h)-one
+c1ccc(cc1)[C@H](COc2ccc3c(c2)NC(=O)N3)NC(=O)C4=CC=CN(C4=O)Cc5ccc(c(c5)F)F	MP7	1-(3,4-difluorobenzyl)-2-oxo-n-{(1r)-2-[(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide
+C[C@@H]1C[C@H](NC1)C(=O)O	MP8	(4r)-4-methyl-l-proline
+c1ccc(cc1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N	MP9	2-amino-3-[3-hydroxy-5-(2-benzyl-2h-5-tetrazolyl)-4-isoxazolyl]-propionic acid
+CCCCCC[P@](=O)(O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C	MPA	(1r)-menthyl hexyl phosphonate group
+COC(=O)c1ccc(cc1)O	MPB	4-hydroxy-benzoic acid methyl ester
+CCCCCC[P@](=O)(O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C	MPC	(1s)-menthyl hexyl phosphonate group
+C[C@@H](CC(C)(C)O)O	MPD	(4s)-2-methyl-2,4-pentanediol
+c1ccc2c(c1)c(c[nH]2)[C@H](C(=O)O)NOCCS	MPE	(1h-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid
+CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](CO)O	MPG	[(z)-octadec-9-enyl] (2r)-2,3-bis(oxidanyl)propanoate
+CSCC[C@H](N)P(=O)(O)O	MPH	(1-amino-3-methylsulfanyl-propyl)-phosphonic acid
+c1cc[n+]2cc[nH]c2c1	MPI	imidazo[1,2-a]pyridine
+CSCC[C@H](N)[P@H](=O)O	MPJ	(1-amino-3-methylsulfanyl-propyl)-phosphinic acid
+Cc1c(c(no1)c2ccccc2)CO	MPK	(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol
+Cc1c(c(c(c[n+]1C)COP(=O)(O)O)C=O)O	MPL	n-methyl-pyridoxal-5'-phosphate
+CC[C@](C)(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)P(=O)(O)O	MPM	(1r)-1-[((1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]-1-methylpropylphosphonic acid
+C([C@@H]1C(=S)C(=S)[C@H]2[C@@H](O1)NC3=C(N2)C(=O)N=C(N3)N)OP(=O)(O)O	MPN	phosphoric acid mono-(2-amino-4-oxo-5,6-dithioxo-1,5,6,7,8a,9,10,10a-octahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl) ester
+C1COCCN1CCCS(=O)(=O)O	MPO	3[n-morpholino]propane sulfonic acid
+COc1ccc(cc1OC)CCC(=O)O	MPP	3-(3,4-dimethoxyphenyl)propionic acid
+CN[C@@H](c1ccccc1)C(=O)O	MPQ	n-methyl-alpha-phenyl-glycine
+C(CS)C=O	MPR	2-mercapto-propion aldehyde
+C[P@H](=O)O	MPS	methylphosphinic acid
+C(CS)C(=O)O	MPT	beta-mercaptopropionic acid
+c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@H](CO)O)O	MPU	d-monapterin
+Cn1c(cc(n1)c2cccs2)N	MPV	1-methyl-3-(thiophen-2-yl)-1h-pyrazol-5-amine
+COc1ccnc(c1)CCc2[nH]c3c(n2)cccn3	MPW	2-[2-(4-methoxypyridin-2-yl)ethyl]-3h-imidazo[4,5-b]pyridine
+CN1CCN(CC1)NC(=S)Nc2ccc(cc2)S(=O)(=O)N	MPX	4-({[(4-methylpiperazin-1-yl)amino]carbonothioyl}amino)benzenesulfonamide
+CCc1cccc(c1NC(=O)n2cc\3c(c2)N=N/C3=N/C(=O)c4ccc(cc4)N5CCN(CC5)C)CC	MPY	(3e)-n-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]imino}pyrrolo[3,4-c]pyrazole-5(3h)-carboxamide
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(c3)Nc4nccc(n4)c5cccnc5	MPZ	4-[(4-methylpiperazin-1-yl)methyl]-n-{3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide
+c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4	MQ0	4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile
+COc1ccc(cc1)Oc2cccc3c2c(nc(n3)N)N	MQ1	5-(4-methoxyphenoxy)-2,4-quinazolinediamine
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br	MQ2	~{n}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
+C1[C@@H](CC(=C1[C@@H](C=O)C(F)(F)F)N)C(=O)O	MQ4	(1s)-3-amino-4-[(2s)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	MQ7	menaquinone-7
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CC\C=C(/C)\CCC=C(C)C	MQ8	menaquinone 8
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CCC=C(C)C	MQ9	menaquinone-9
+CC1=C(C(=O)C2=C(C1=O)[N@@]3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC	MQA	[(1as,8s,8ar,8bs)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
+c1ccc2c(c1)c(co2)CC(=O)O	MQB	2-(1-benzofuran-3-yl)ethanoic acid
+[H]/N=C(\c1ccc2c(c1)c(cc(n2)C)Nc3cccc(c3)OC)/N	MQC	4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide
+C[C@@H](C[C@@](C)(CO)O)O	MQD	2-methylpentane-1,2,4-triol
+CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	MQE	2-methyl-3-[(2e,6e,10e,14e,18e,22e,26e,30e,34e,38e)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione
+CP(=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O	MQG	2-deoxy-2-{[(s)-hydroxy(methyl)phosphoryl]amino}-beta-d-glucopyranose
+C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)C(C)C	MQH	bottromycin a2
+Cc1cc2cccc(c2nc1)S(=O)=O	MQI	8-hydrosulfonyl-2-methylquinoline
+c1ccc2cc(ccc2c1)S(=O)(=O)NNC(=O)c3ccccc3F	MQJ	2-fluoro-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
+c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4CC[C@H](C4)CN)N)Cl	MQM	7-[(3s)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
+Cc1ccc2cc(ccc2n1)N	MQN	2-methylquinolin-6-amine
+Cc1cc2c(c(c1)OC)NC=CC2=O	MQO	8-methoxy-6-methylquinolin-4(1h)-one
+c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	MQP	[5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]iron
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4	MQQ	n-[(1s)-1-[({(1s)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)carbonyl]-3-(phenylsulfonyl)propyl]morpholine-4-carboxamide
+C[C@@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3	MQR	[(3r)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone
+C[C@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3	MQS	[(3s)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone
+Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)C)OC)CO)O	MQT	methyl 2-o-acetyl-3-o-(4-methylbenzoyl)-beta-d-talopyranoside
+COCC(COC)n1ccc2c1ccc3c2c(nc(n3)N)N	MQU	7-[2-methoxy-1-(methoxymethyl)ethyl]-7h-pyrrolo[3,2-f] quinazoline-1,3-diamine
+c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4C[C@@H]5[C@H](C4)C5N)N)c6cccnc6	MQV	7-[(1r,5s,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
+CC(C)[C@H]1C(=O)N[C@H](/C(=N/CC(=O)N2CCC[C@H]2C(=O)N1)/N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](CC(=O)O)C4=N[C@@H](CS4)C(=O)O)C(C)C	MQW	(4~{r})-2-[(1~{r})-1-[[(2~{s})-2-[[(2~{s})-3-methyl-2-[[(4~{z},6~{s},9~{s},12~{s})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+C[C@H]1C(=O)N(C(=O)N1Cc2ccnc3c2cccc3)c4ccc(cc4)S(=O)(=O)C(F)(F)F	MQY	(5s)-5-methyl-1-(quinolin-4-ylmethyl)-3-{4-[(trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-dione
+C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)CCS(=O)C	MQZ	bottromycin a2 derivative
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C(=O)N	MR0	n~3~-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-n~1~,n~1~-dipropylbenzene-1,3,5-tricarboxamide
+c1cc2c(cc1CN)OCO2	MR1	1-(1,3-benzodioxol-5-yl)methanamine
+c1cc2c(ccc3c2c(c1)C(=O)OC3(c4ccc(cc4)O)c5ccc(cc5)O)[N+](=O)[O-]	MR2	3-diphenol-6-nitro-3h-benzo[de]isochromen-1-one
+Cn1cccc1	MR3	1-methyl-1h-pyrrole
+Cc1cc(cc(c1O)C)c2nc3ccccc3o2	MR4	4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol
+c1ccc2c(c1)nc(o2)c3cc(c(c(c3)Br)O)Br	MR5	4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol
+Cc1cc(cc(c1)c2nc3ccccc3o2)C	MR6	2-(3,5-dimethylphenyl)-1,3-benzoxazole
+C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)OC)OC)C)C)/C)OC	MR8	28-o-methylrapamycin
+Cc1ccc(cc1Oc2c(cccn2)c3ccnc(n3)NC)C(=O)Nc4cc(ccc4N5CCOCC5)C(F)(F)F	MR9	4-methyl-3-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)-n-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
+C#Cc1ccc(c(c1)F)Nc2c(ccc(c2F)F)C(=O)NOCCO	MRA	2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-n-(2-hydroxyethoxy)benzamide
+C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N\[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)CCSC	MRB	bottromycin a2 derivative
+CC([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@H]([C@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O	MRC	mupirocin
+C[C@H](CC(C)(C)O)O	MRD	(4r)-2-methylpentane-2,4-diol
+CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O	MRE	2-(4-dimethylaminophenyl)diazenylbenzoic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)NCCCS	MRG	n2-(3-mercaptopropyl)-2'-deoxyguanosine-5'-monophosphate
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)NC(=O)C	MRH	4-acetamido-4,6-dideoxy-alpha-d-mannopyranose
+c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O	MRI	2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
+CCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	MRJ	n-[2-(dodecanoylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+Cn1ccnc1Sc2cc(c(cc2F)N)C(=O)Nc3nccs3	MRK	2-amino-4-fluoro-5-[(1-methyl-1h-imidazol-2-yl)sulfanyl]-n-(1,3-thiazol-2-yl)benzamide
+C1CN(CCC1N)C(=O)O	MRM	4-aminopiperidine-1-carboxylic acid
+Cc1ccccc1C(=O)Nc2cccc(c2)OC(C)C	MRN	2-methyl-n-[3-(1-methylethoxy)phenyl]benzamide
+c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O	MRO	2,6-dioxo-5-(2-phenylethyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)OC)O	MRP	3-o-methyl-alpha-l-rhamnopyranose
+[H]/N=C(/N)\NCCC[C@H]1C(=O)N[C@@H](CSCc2ccccc2CN(CC(=O)n3cccc3CC(=O)N1)Cc4ccco4)C(=O)N	MRQ	(14s,17r)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide
+CCCCCCCCCCCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MRR	(r)-2-methylmyristoyl-coenzyme a
+CCCCCCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MRS	(s)-2-methylmyristoyl-coenzyme a
+CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NCC(=O)[C@@H](c3ccccc3)N(C)C(=O)OCC4c5ccccc5-c6c4cccc6	MRT	(5r,9s,12s,15s,18s,21s)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9h-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid
+CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O	MRU	5-s-methyl-1-o-phosphono-5-thio-d-ribulose
+Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)F)C(C)C	MRV	4,4-difluoro-n-[(1s)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4h-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide
+c1cc2c(ccnc2cc1Cl)O	MRW	7-chloroquinolin-4-ol
+c1cc2c(cc1Br)c(c([nH]2)C(=O)N)S(=O)(=O)N3CCCC3	MRX	5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1h-indole-2-carboxamide
+C([C@H]([C@H](CO)O)O)O	MRY	meso-erythritol
+[H]/N=C(\N)/N1CCCCC1	MRZ	piperidine-1-carboximidamide
+COc1ccc2c(c1)occ2CC(=O)O	MS0	(6-methoxy-1-benzofuran-3-yl)acetic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(n2)C(=O)NC(=N3)N)C(=O)\C=C\c4c(ncn4[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(=O)N	MS1	2-[4-((2-amino-4-oxo-3,4-dihydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-{3-[5-carbamoyl-3-(3,4- dihydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-3h-imidazol-4-yl]-acryloyl}-amino)-benzoylamino]- pentanedioic acid
+C[C@@H]1[C@](C1(Cl)Cl)(C(=O)N[C@H](C)c2ccc(cc2)Br)[S@@](=O)C	MS2	2,2-dichloro-1-methanesulfinyl-3-methyl-cyclopropanecarboxylic acid [1-(4-bromo-phenyl)-ethyl]-amide
+CC(C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccn2)OCc3ccccc3)O)O)OCc4ccccc4	MS3	n,n-[2,5-o-dibenzyl-glucaryl]-di-[valinyl-aminomethanyl-pyridine]
+c1cc(c(cc1Cn2cncn2)c3ccc(c(c3)Cl)OS(=O)(=O)N)C#N	MS4	3-chloro-2'-cyano-5'-(1h-1,2,4-triazol-1-ylmethyl)biphenyl-4-yl sulfamate
+COc1cccc(c1)C[N@]2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N	MS5	7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate
+CSCC[C@@H](CS)N	MS6	(2s)-2-amino-4-(methylsulfanyl)butane-1-thiol
+CNC(=O)[C@H](Cc1ccc(cc1)OCc2ccccc2)N	MS7	o-benzyl-n-methyl-l-tyrosinamide
+C1C[C@@H]2[C@@H](C[C@](O2)(C[C@@H](C(=O)O)N)C(=O)O)OC1	MS8	(2r,3ar,7ar)-2-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
+COC(=O)c1ccc(cc1N)Cl	MS9	methyl 2-amino-4-chlorobenzoate
+CN[C@@H](C(=O)O)SC	MSA	(2-s-methyl) sarcosine
+COc1ccc(cc1)S(=O)=O	MSB	1-methyloxy-4-sulfone-benzene
+c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)NCc5c(cccc5Cl)F	MSC	2,5-dibenzyloxy-3,4-dihydroxy-hexanedioic acid 2-chloro-6-fluoro-benzylamide (2-hydroxy-indan-1- yl)-amide
+CC(=O)c1ccc(c(c1O)[C@H]2C[C@H]2NC(=S)Nc3ccc(cn3)C#N)OC	MSD	1-[2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)-cyclopropyl]-3-(5-cyano-pyridin-2-yl)-thiourea
+C[Se]CC[C@@H](C(=O)O)N	MSE	selenomethionine
+C[Se]CC(=O)[O-]	MSF	[methylseleno]acetate
+C[n+]1cn(c2c1c(nc(n2)N)[S-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	MSG	7-methyl-6-thio-guanosine
+CCC[C@@H](CC)S(=O)(=O)C	MSH	3-methanesulfonyl-hexane
+CN1c2ccc(cc2C(=O)C1=O)S(=O)(=O)[N@@]3CCC[C@H]3COc4ccccc4	MSI	1-methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1h-indole-2,3-dione
+CC(C)(CCCOCN1C=CC(=O)NC1=O)NS(=O)(=O)c2ccccc2	MSJ	n-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide
+S1[Fe]2S[Fe]3[S+]2[Fe]1[S+]3[Fe]	MSK	broken fe4s4 cluster
+C[S@](=N)(=O)CC[C@@H](C(=O)O)N	MSL	(2s)-2-amino-4-(methylsulfonimidoyl)butanoic acid
+CSC	MSM	(methylsulfanyl)methane
+CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N	MSN	(1r,2r,3r,4s,5r)-4-amino-5-(methylthio)cyclopentane-1,2,3-triol
+C[Se@@](=O)CC[C@@H](C(=O)O)N	MSO	selenomethionine selenoxide
+CSCC[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=NC32)N)O)O)N	MSP	5'-o-[(l-methionyl)-sulphamoyl]adenosine
+COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)SC	MSQ	4-[3-methylsulfanylanilino]-6,7-dimethoxyquinazoline
+c1cc(ccc1n2ccnc2)O	MSR	4-(1h-imidazol-1-yl)phenol
+C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O	MSS	(molybdopterin-s,s)-oxo-molybdenum
+CCNc1nc(nc(n1)SC)NC(C)(C)C	MST	2-t-butylamino-4-ethylamino-6-methylthio-s-triazine
+COC(=O)CCC(=O)O	MSU	succinic acid monomethyl ester
+CCC[P@](=O)(O)O[C@H](CNC(=O)OC)c1ccccc1	MSW	[(1s)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid
+CS[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CS)O)O)O	MSX	methyl 1,6-dithio-alpha-d-mannopyranoside
+CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)N	MSY	3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide
+c1cc(cc(c1)O[C@@H](c2ccc(cc2)Cl)C(=O)O)C(F)(F)F	MSZ	(2s)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
+Cc1c2ccccc2c(nn1)Cl	MT0	1-chloro-4-methylphthalazine
+CN(Cc1cnc2c(n1)c(nc([nH+]2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	MT1	n-(4-{[(2,4-diaminopteridin-1-ium-6-yl)methyl](methyl)amino}benzoyl)-l-glutamic acid
+CC[S@@+](C)CC[C@@H](C(=O)O)N	MT2	[(3s)-3-amino-3-carboxypropyl](ethyl)methylsulfonium
+CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)Cc5ccccc5	MT3	2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3h)-one
+CN1C(=O)C(=CN=C1Nc2ccc(cc2)F)c3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC	MT4	5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3h)-one
+CCCCCCCC\[NH+]=C\1/NC[C@H]2N1[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O	MT5	n-[(3e,5r,6r,7s,8r,8ar)-5,6,7,8-tetrahydroxyhexahydroimidazo[1,5-a]pyridin-3(2h)-ylidene]octan-1-aminium
+COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O	MT6	methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O)CO)CO)CO)CO)CO)CO)O)O)O)O	MT7	alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-beta-d-glucopyranose
+C[C@]1(CCN2c3c1cccc3CCC2=O)O	MT8	(1r)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinolin-5-one
+CC[C@@H]1[C@@](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O	MT9	(3r,4s,5s,7r,9e,11s,12r)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside
+CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	MTA	5'-deoxy-5'-methylthioadenosine
+CC(C)(C)c1cc(ccc1O)/N=N/c2ccccc2C(=O)O	MTB	2-((3'-tertbutyl-4'-hydroxyphenyl)azo)benzoic acid
+COC(=O)NC1=C\2CC#C\C=C/C#C[C@@](/C2=C/CSSSC)(CC1=O)O	MTC	[1,8-dihydroxy-11-oxo-13-(2-methyltrithio-ethylidene)-bicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl]-carbamic acid methyl ester
+C[Te]CC(=O)[O-]	MTD	[methyltelluro]acetate
+C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O	MTE	phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8a,9,10,10a-hexahydro-4h-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester
+CNC=S	MTF	n-methylthioformamide
+CSCC(=O)[O-]	MTG	[methylthio]acetate
+CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3N)O)O	MTH	2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methylsulfanylmethyl-tetrahydro-furan-3,4-diol
+CSC[C@@H]1[C@H]([C@H]([C@@H]([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O	MTI	3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium
+CN[C@@H](Cc1ccc(cc1)OC)C(=O)O	MTJ	n,o-dimethyl-l-tyrosine
+CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O	MTK	montelukast
+C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O	MTL	d-mannitol
+CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O	MTM	(3s,4r)-2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]pyrrolidine-3,4-diol
+CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C	MTN	s-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate
+O	MTO	bound water
+CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	MTP	2-hydroxymethyl-5-(6-methylsulfanyl-purin-9-yl)-tetrahydro-furan-3,4-diol
+C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O	MTQ	(molybdopterin-s,s)-dioxo-thio-molybdenum(vi)
+CC1=CC(=CNC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	MTR	(5-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1,2-dideoxy-ribofuranose-5-monophosphate
+C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)NC	MTS	(4s-trans)-4-(methylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O	MTT	maltotetraose
+c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	MTU	9-beta-d-ribofuranosyl-9h-purin-2-amine
+C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo@-](=O)(S2)O)OP(=O)(O)O	MTV	(molybdopterin-s,s)-dioxo-thio-molybdenum(iv)
+c1cc(cc(c1)C2=N/C(=N\c3cccc(c3)[N+](=O)[O-])/N=CC2)Cn4cncn4	MTW	hydroxy(oxo)(3-{[(2z)-4-[3-(1h-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5h)-ylidene]amino}phenyl)ammonium
+CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	MTX	methotrexate
+c1cc(cc(c1)O)C[C@@H](C(=O)O)N	MTY	meta-tyrosine
+Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N4CCOCC4)N=CC2	MTZ	4-methyl-5-{(2e)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-yl}-1,3-thiazol-2-amine
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4ccccc4)O)N5CCCNC5=O	MU0	(5s)-n-[(1s,2s,4s)-1-benzyl-2-hydroxy-4-{[(2s)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2h)-yl)butanoyl]amino}-5-phenylpentyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4cccc(c4)C(=O)C)O)NC(=O)C	MU1	n~2~-acetyl-n-[(1s,3s,4s)-4-({[(5s)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]carbonyl}amino)-1-benzyl-3-hydroxy-5-phenylpentyl]-l-valinamide
+C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	MU2	n-acetylmuramyl-l-alanyl-d-isoglutamine
+CCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	MU4	n-[2-(hexadecanoylamino)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCCCC4	MU5	~{n}-(2,3-dihydro-1~{h}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide
+COc1ccc(c2c1C=C(C(=O)N2)CCNC(=O)c3ccccc3I)OC	MU7	n-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide
+c1ccc(cc1)[C@H]2C[C@H](N(C2)C(=O)c3ccc4c(c3)OC[C@H]4N)C(=O)Nc5cccc(c5)Cl	MU8	(2~{s},4~{r})-1-[[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{n}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide
+CN1C2=C(C(=O)NC(=O)N2)NC1=O	MUA	9-methyl uric acid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	MUB	n-acetyl-alpha-muramic acid
+C1=CC(=O)O[C@H]1CC(=O)O	MUC	[(2s)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
+CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	MUD	n-{[(1r)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-l-glutamic acid
+c1ccc2cc(ccc2c1)S(=O)(=O)N	MUE	naphthalene-2-sulfonamide
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)c4ccc(cc4)O)CC=C5[C@@]3(CCC(=C5)C(=O)O)C	MUF	(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid
+CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	MUG	4-methylumbelliferyl-alpha-d-glucose
+Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F	MUH	n-{4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccc(cc3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC	MUI	(5s)-3-(4-acetylphenyl)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide
+COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N	MUJ	5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine
+Cc1cc(nc(n1)Nc2ccccc2)C	MUK	4,6-dimethyl-~{n}-phenyl-pyrimidin-2-amine
+CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C	MUL	tiamulin
+C[C@@H]1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O	MUM	5'-o-(dihydroxyphosphanyl)-5-methyl-5,6-dihydrouridine
+CCCCCCCC/C=C/C(=O)OC[C@H](CO)O	MUN	[(2~{s})-2,3-bis(oxidanyl)propyl] (~{e})-undec-2-enoate
+CCCCCCCCCCC[P@](=O)(O)OC	MUP	methoxyundecylphosphinic acid
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)NC)NS(=O)(=O)c3cccc(c3)c4ccc(cc4O)OC)/N	MUQ	4-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{n}-methyl-piperazine-1-carboxamide
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N	MUR	beta-muramic acid
+CC1=CC(=O)Oc2c1ccc(c2)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O	MUS	4-methyl-2-oxo-2h-chromen-7-yl 5-(acetylamino)-3,5-dideoxy-l-erythro-non-2-ulopyranosidonic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC	MUT	(5s)-3-(3-acetylphenyl)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide
+CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3cccc(c3)OC)O	MUU	n-[(1s,2r)-1-benzyl-3-{(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]-n'-methylsuccinamide
+CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3ccco3)O	MUV	n-{(1s,2r)-1-benzyl-3-[(cyclopropylmethyl)(2-furylsulfonyl)amino]-2-hydroxypropyl}-n'-methylsuccinamide
+CC(C)C[N@@]([C@@H](CCCCNC(=O)[C@H](C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)CN	MUW	n-{(5s)-5-[{[4-(aminomethyl)phenyl]sulfonyl}(isobutyl)amino]-6-hydroxyhexyl}-nalpha-(methoxycarbonyl)-beta-phenyl-l-phenylalaninamide
+CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O	MUX	(4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate
+CP(=O)([C@@H](c1ccc(cc1)O)N2C[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)O	MUY	(r)-[(s)-[(3s)-3-{[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid
+[H]/N=C(/c1ccc(cc1)C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc4ccccc4)P(O)Oc5ccccc5)\N	MUZ	[(~{r})-(4-carbamimidoylphenyl)-[[(2~{s})-1-[(2~{r})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid
+CCCCCCCCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO)O	MV1	(2s)-2,4-dihydroxy-3,3-dimethyl-n-[3-(nonylamino)-3-oxopropyl]butanamide
+CC(C)(CO)[C@@H](C(=O)NCCCO)O	MV2	(2s)-2,4-dihydroxy-n-(3-hydroxypropyl)-3,3-dimethylbutanamide
+c1ccc2c(c1)cccc2c3cc4cnc(nc4nc3N5CC[C@H](C5)N)N	MV4	7-[(3r)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
+C([C@@H](C=O)N)SSC[C@@H](C(=O)N)N	MV5	(2~{r})-2-azanyl-3-[[(2~{r})-2-azanyl-3-oxidanylidene-propyl]disulfanyl]propanamide
+C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](COc3cc(cc(c3)F)F)[C@H](C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc4ccccc4)OCCOC)O	MV7	n-[(2s,3s,5r)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2s)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-n'-[(1r)-1-phenylethyl]benzene-1,3-dicarboxamide
+CC(C)[C@H](C(=O)O)NC	MV9	(2~{r})-3-methyl-2-(methylamino)butanoic acid
+CC(C)[C@@H](C(=O)O)NC	MVA	n-methylvaline
+C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CC[C@H]3C[C@H](CC(=O)O3)O)O	MVB	(1s,7s,8s,8ar)-1,2,3,7,8,8a-hexahydro-7-methyl-8-[2-[(2r,4r)-tetrahydro-4-hy droxy-6-oxo-2h-pyran-2-yl]ethyl]-1-naphthalenol
+CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](CO)O	MVC	monovaccenin
+C[C@H]1[C@@H](C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O	MVD	2alpha-methyl-1alpha,25-dihydroxy-vitamin d3
+CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cc4c(ccnn4c3)N5CCN(CC5)C(=O)C6CC6	MVE	cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)N)\N	MVF	(2s)-1-[(2r)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-n-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide
+CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)c4ccc(cc4)C(=O)O	MVG	4-{6-[6-(propan-2-ylamino)-1h-indazol-1-yl]pyrazin-2-yl}benzoic acid
+CC(=CC(=O)NC)OP(=O)(O)OC	MVH	methyl [4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] hydrogen phosphate
+CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)O	MVI	mycinamicin vi
+c1cc2c(cc1C3CCCCC3)C4(CCOCC4)C(=O)N2	MVJ	5-cyclohexylspiro[1h-indole-3,4'-oxane]-2-one
+Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccc(cc4)C(=O)O)cc[nH]2)C	MVK	4-[(2~{s})-1-[(5,7-dimethyl-1~{h}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
+c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O	MVL	(5r,6r,7s,8r)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
+c1cc2c(nc1)n(nn2)c3ccc(cc3)C(=O)N(c4c(cccn4)Cl)[C@@H]5CCCNC5	MVM	n-(3-chloropyridin-2-yl)-n-[(3r)-piperidin-3-yl]-4-(3h-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide
+CC1=CC(=O)Nc2c1cc(cc2)Cl	MVN	6-chloro-4-methyl-1h-quinolin-2-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)CP(=O)(O)O)CO)O)O)O)O	MVP	(1s)-1,5-anhydro-4-o-alpha-d-glucopyranosyl-1-(phosphonomethyl)-d-glucitol
+CN1C(=O)c2c(sc(n2)N3CCC[C@@H]3C(=O)NCc4ccccc4)N=C1C5CCOCC5	MVQ	(2~{r})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{n}-(phenylmethyl)pyrrolidine-2-carboxamide
+CC(C)[C@@H](Cc1nnc(s1)NS(=O)(=O)c2cc(cc(c2)F)F)c3cccc(c3)F	MVT	3,5-bis(fluoranyl)-~{n}-[5-[(2~{r})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC	MVV	(2r)-1-(alpha-d-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9z)-octadec-9-enoate
+Cc1cc(c2c(c1CN3CCCC[C@H]3c4ccccc4)cc[nH]2)C	MVW	5,7-dimethyl-4-[[(2~{s})-2-phenylpiperidin-1-yl]methyl]-1~{h}-indole
+COC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl	MVY	methyl (3s)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
+Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br	MVZ	5-bromanyl-3-chloranyl-~{n}-(1~{h}-imidazol-2-yl)-7-methyl-1~{h}-indol-4-amine
+Cc1ccc(o1)CO	MW0	(5-methylfuran-2-yl)methanol
+[OH2][Mn+2]	MW1	manganese ion, 1 water coordinated
+[OH2][Mn+2][OH2]	MW2	manganese dihydrate ion
+[OH2][Mn+2]([OH2])[OH2]	MW3	manganese ion, 3 waters coordinated
+CCOC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl	MW4	ethyl (3s)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
+c1ccc(cc1)CC2=C(N=C3NC=NN3C2=O)Cl	MW5	6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3h)-one
+C=Cc1ccc(cc1)C(=O)O	MW7	4-ethenylbenzoic acid
+c1ccnc(c1)CN(c2ccc(cc2)N3CCNCC3)C(=O)c4ccc(o4)c5ccc(cc5)Br	MW8	5-(4-bromophenyl)-~{n}-(4-piperazin-1-ylphenyl)-~{n}-(pyridin-2-ylmethyl)furan-2-carboxamide
+CS(=O)(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl	MWA	(3s)-n-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
+c1cc(ccc1Nc2ccc(cc2)NC3=NCCN3)NC4=NCCN4	MWB	n1-(4,5-dihydro-1h-imidazol-2-yl)-n4-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine
+Cc1ccc(o1)CON(O)O	MWC	dihydroxy[(5-methylfuran-2-yl)methoxy]amine
+CCCNC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl	MWD	(3s)-n~3~-(4-chloro-3-fluorophenyl)-n~1~-propylpiperidine-1,3-dicarboxamide
+C[C@@](CCC=C(CF)CF)(C=C)OP(=O)(O)OP(=O)(O)O	MWG	(3r)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate
+Cc1cc(ccc1O)Br	MWJ	4-bromo-2-methylphenol
+c1ccc(cc1)c2c(cc(nn2)N3CCN(CC3)c4ncccn4)c5ccncc5	MWL	3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine
+Cc1cc(ccc1O)F	MWM	4-fluoro-2-methylphenol
+c1cc2c(cc1N)S(=O)(=O)C=C2	MWP	1-benzothiophen-6-amine 1,1-dioxide
+c1c([nH]cn1)CCC(=O)O	MWQ	3-(1~{h}-imidazol-5-yl)propanoic acid
+C/C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/CC[C@@H](C(C)(C)O)O	MWS	4-{[(2z,6s)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7h-furo[3,2-g][1]benzopyran-7-one
+C[n+]1c(cn(n1)c2ccc(c(c2)OCCN3CCNC3=O)c4nc(cs4)CCc5ccccc5)CCCCN	MWT	1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one
+CC(C)[C@H]1c2ccc(cc2CC[C@@]1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F	MWV	(1s,2s)-2-(2-{[3-(1h-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate
+c1ccc(cc1)CCc2csc(n2)c3ccc(cc3OCCC4CCNCC4)n5cc(nn5)CCCCN	MWW	4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine
+CC[C@@]1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CSc4nc([nH]n4)N)C	MWY	(3as,4r,5s,6r,8r,9r,9ar,10r)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1h-1,2,4-triazol-3-yl)sulfanyl]acetate
+C[n+]1c(cn(n1)c2ccc(c(c2)OCCC3CCNCC3)c4nc(cs4)CCc5ccccc5)CCCCN	MWZ	4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine
+CC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)[C@@H](C)C(=O)O)OC)OC1)C(=O)O	MX0	(1r,6r,7r)-7-[(2r)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+CO[C@]([C@@H]1N=C(C(=C)CO1)C(=O)O)(C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O	MX1	(2r)-2-((r)-carboxy{[carboxy(4-hydroxyphenyl)acetyl]amino}methoxymethyl)-5-methylene-5,6-dihydro-2h-1,3-oxazine-4-carbo xylic acid
+CN(Cc1ccccc1)C(=O)CCC(=O)N(CC(=O)O)N	MX3	(1-{4-[benzyl(methyl)amino]-4-oxobutanoyl}hydrazino)acetic acid
+c1ccc(cc1)COC(=O)CCC(=O)N(CC(=O)O)N	MX4	{1-[4-(benzyloxy)-4-oxobutanoyl]hydrazino}acetic acid
+c1ccc2c(c1)CCCN2C(=O)CCC(=O)N(CC(=O)O)N	MX5	{1-[4-(3,4-dihydroquinolin-1(2h)-yl)-4-oxobutanoyl]hydrazino}acetic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC	MX7	(2r)-3-(phosphonooxy)propane-1,2-diyl (9z,9'z)bis-octadec-9-enoate
+CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)NO	MX8	4-hexoxy-~{n}-[(2~{s})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide
+Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC	MXA	6-(2,5-dimethoxy-benzyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
+Cc1nccn1Cc2cn(nn2)CC[C@H](c3ccccc3)NC(=O)/C=N/O	MXB	(r,e)-2-(hydroxyimino)-n-(3-(4-((2-methyl-1h-imidazol-1-yl)methyl)-1h-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide
+C[C@](COC(=O)N)([C@H](C(=O)O)Nc1c(cc2n1ccc(c2)C(=O)N)C=O)[S@](=O)O	MXC	(2s,3r)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid
+c1c([n+](c(nc1N2CCCCC2)N)[O-])N	MXD	6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide
+COCCO	MXE	2-methoxyethanol
+C[C@](COC(=O)NCCN)([C@H](C(=O)O)Nc1c(cc2n1cccc2)C=O)[S@](=O)O	MXF	(2s,3r)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)[C@@H]1N=C(C(=C)CS1)C(=O)O)C(=O)O)NC(=O)C	MXG	2-(1-{2-[4-(2-acetylamino-propionylamino)-4-carboxy-butyrylamino]-6-amino-hexanoylamino}-2-oxo-ethyl)-5-methylene-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)NC(=O)NC(C)(C)C)NS(=O)(=O)c3cccc(c3)c4ccc(c(c4)F)CO)\N	MXH	1-~{tert}-butyl-3-[1-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea
+CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N	MXI	4-(2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-3h-imidazol-4-yl)pyridin-2-amine
+CCCNC(=O)N1C[C@H](C[C@H](C1)N)C(=O)Nc2ccc(c(c2)F)Cl	MXJ	(3s,5r)-5-amino-n~3~-(4-chloro-3-fluorophenyl)-n~1~-propylpiperidine-1,3-dicarboxamide
+Cc1nccn1Cc2cn(nn2)CC[C@@H](c3ccccc3)NC(=O)/C=N/O	MXK	(2~{e})-2-hydroxyimino-~{n}-[(1~{s})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamid e
+Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](c4ccc(cc4)O)C(=O)O)OC)OC2)C(=O)O	MXL	moxalactam
+Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O	MXM	4-hydroxy-2-methyl-n-(5-methyl-1,3-thiazol-2-yl)-2h-1,2-benzothiazine-3-carboxamide 1,1-dioxide
+c1ccc(cc1)[C@H](C#N)O	MXN	(2r)-hydroxy(phenyl)ethanenitrile
+CCCC/C(=C/C=C(\C)/C(=O)C1=C(C=C(OC1=O)CCC\C=C\NC(=O)OC)O)/C	MXP	myxopyronin b
+C1[C@H]2CNC[C@@H]1C3=CC=C(C(=O)N3C2)CCCO	MXQ	(1~{r},9~{s})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one
+C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@@H](NC2)C(=O)N(C)C	MXR	(2s,3r,4s)-4-{[(3s,5r)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2s,3r)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid
+CC(C)([C@H](C(=O)O)Nc1c(cc2n1ccc(c2)NC(=O)OC)C=O)[S@](=O)O	MXS	(2s)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid
+CC1(CC(CC(N1O)(C)C)N2C(=O)CCC2=O)C	MXT	1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
+CC1=CC(=O)N(c2c1c(ccc2OC)OC)C	MXX	5,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)OC)O)O	MXY	2-o-methyl-beta-l-fucopyranose
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OC)O)O	MXZ	2-o-methyl-alpha-l-fucopyranose
+C([C@@H](C(=O)O)O)C(=O)N(CC(=O)O)N	MY0	(2s)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid
+c1ccc(cc1)CN(Cc2ccccc2)C(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY1	[n-(3-dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid
+c1ccc(cc1)COC(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY2	{1-[(3s)-4-(benzyloxy)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid
+c1ccc(cc1)CNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY3	[n-(3-benzylcarbamoyl-oxiranecarbonyl)-hydrazino] - acetic acid
+c1ccc(cc1)CCNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY4	(1-{(3s)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}hydrazino)acetic acid
+C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)N(CC(=O)O)N)O	MY5	{1-[(3s)-4-{[(1s)-2-(benzylamino)-1-methyl-2-oxoethyl]amino}-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid
+Cn1cnc2c1C(=O)NC(=N2)N	MY6	2-amino-7-methyl-1,7-dihydro-6h-purin-6-one
+CC1=NN(C(=O)C1c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O	MY7	2-(3-methyl-5-oxidanylidene-4-phenyl-4~{h}-pyrazol-1-yl)-3~{h}-benzimidazole-5-carboxylic acid
+CC[C@@H]1[C@H](/C=C/C=C/[C@H]([C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)O)C	MY8	mycinamicin viii
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H]([C@H]4C(=O)N(C(N4)(C)C)C)O	MY9	n-{(1s,2s)-1-benzyl-2-hydroxy-2-[(4s)-1,2,2-trimethyl-5-oxoimidazolidin-4-yl]ethyl}-n'-[(1r)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide
+CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	MYA	tetradecanoyl-coa
+CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@H](CO)N)O)O	MYB	decarboxylated myriocin
+c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O	MYC	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-chromen-4-one
+Cc1c2c(c(c(c1OC)CCO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)OC2	MYD	{[5-(6-amino-purin-7-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylmethyl}-phosphonic acid mono-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-ethyl] ester
+CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(cc1)Br	MYE	n2-({[(4-bromophenyl)methyl]oxy}carbonyl)-n1-[(1s)-1-formylpentyl]-l-leucinamide
+c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3O2)O)O	MYF	5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4h-chromen-4-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@H]([C@@H]2O)O)O)O)O)N)O)O)O	MYG	(1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+COc1ccc2c(c1)c(c[nH]2)CC(=O)O	MYI	(5-methoxy-1h-indol-3-yl)acetic acid
+Cc1cc(ccc1O)N(=O)=O	MYJ	2-methyl-4-nitrophenol
+CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N	MYK	n~6~-tetradecanoyl-l-lysine
+C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@@H](CO)O)(C)C)OC)OCO2)O)OC)C	MYL	mycalamide a
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2C[C@H](CC3)C(=C)C4)O)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	MYM	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,12alpha)-7-hydroxyatis-16-ene-18-thioate
+C1CNC(=N[C@H]1[C@@H](C(=O)O)N)N	MYN	(2s)-amino[(4r)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid
+CCC[C@@H](C=CS(=O)(=O)c1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCC(CC3)N4CCOCC4	MYP	4-morpholin-4-yl-piperidine-1-carboxylic acid [1-(3-benzenesulfonyl-1-propyl-allylcarbamoyl)-2-phenylethyl]-amide
+C([C@@H](C(=O)O)S[Au])C(=O)O	MYQ	(s)-(1,2-dicarboxyethylthio)gold
+CCCCCCCCCCCCCC(=O)O	MYR	myristic acid
+CCCCCCCCCCCCCCC	MYS	pentadecane
+CC(C)(c1cccnc1)C(=O)c2cccnc2	MYT	metyrapone
+c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O	MYU	3,5,6,7-tetrahydroxy-2-(3,4-dihydroxyphenyl)-4h-chromen-4-one
+CC[C@@H]1[C@](\C=C\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](\C=C\C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)O	MYV	mycinamicin v
+B123B45B167B289B31B823B966B744B622[C@@]45[C+]321CCCS(=O)(=O)N	MYW	 nidocarborane
+C[C@@H](/C=C/C=C/C(C)C)c1nc(cs1)c2nc(cs2)/C=C/[C@@H]([C@@H](C)/C(=C\C(=O)N)/OC)OC	MYX	(2z,6e)-7-{2'-[(2e,4e)-1,6-dimethylhepta-2,4-dienyl]-2,4'-bi-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienamid e
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC	MYY	(2r)-3-(phosphonooxy)-2-(tetradecanoyloxy)propyl palmitate
+CCCC/C=C\CCCCCCCC(=O)O	MYZ	myristoleic acid
+c1c([nH]cn1)CO	MZ0	1h-imidazol-5-ylmethanol
+C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)NC(=O)C	MZ1	n~2~-acetyl-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-l-alaninamide
+C/C(=C\C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)/C(F)(F)F	MZ2	(2e)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-{(2-thienylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino}propyl]-4,4,4-trifluoro-3-methylbut-2-enamide
+Cc1c(cccc1F)C(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@](Cc3cccs3)S(=O)(=O)c4cccc(c4)OC)O	MZ3	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}propyl]-3-fluoro-2-methylbenzamide
+COc1cccc(c1)S(=O)(=O)[N@@](Cc2cccs2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4ccc(c(c4)O)O)O	MZ4	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(3-methoxyphenyl)sulfonyl](2-thienylmethyl)amino}propyl]-3,4-dihydroxybenzamide
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)O)O)S(=O)(=O)c2ccc3c(c2)scn3	MZ5	(2s)-n-[(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4	MZ6	n-[(1s,2r)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2s)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide
+CCCCC[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3	MZ7	n~2~-acetyl-n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl}-l-valinamide
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4	MZ8	n-{(1s,2r)-3-[(1,3-benzothiazol-6-ylsulfonyl)(isobutyl)amino]-1-benzyl-2-hydroxypropyl}-3-hydroxybenzamide
+CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)CCC(=O)CC)O)S(=O)(=O)c2ccc(cc2)OC	MZ9	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}propyl]-4-oxohexanamide
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc5c(c4F)CCNC5	MZA	6-chloro-n-[(3s)-1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide
+C[S@@](=O)[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N	MZB	(1r,2r,3r,4s,5r)-4-amino-5-[(r)-methylsulfinyl]cyclopentane-1,2,3-triol
+CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC	MZC	methyl {3-[2-(acetylamino)ethyl]-1h-indol-5-yl}carbamate
+C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O	MZD	s-[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,11alpha,13alpha)-7-hydroxy-11,16-epoxykaurane-18-thioate
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)NC(=O)NC(C)(C)C)NS(=O)(=O)c3cccc(c3)c4cccc(c4)/C(=N\[H])/N)/N	MZE	1-~{tert}-butyl-3-[1-[(2~{s})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea
+Cc1cc(ccc1O)Cl	MZG	4-chloro-2-methylphenol
+C1CC(=O)N(C1=O)COCN2C(=O)CCC2=O	MZH	1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione
+C=CC(=O)N1CCC(CC1)CNc2c(c(ncn2)N)c3ccc(cc3)Oc4ccccc4	MZJ	1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one
+c1cc(ccc1c2ccc3c(c2)CCC(=O)N3)C(F)(F)F	MZK	6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{h}-quinolin-2-one
+CCc1cc(nn1c2ccc(cc2)NC(=O)c3cccnc3)c4cccnc4	MZL	n-[4-(5-ethyl-3-pyridin-3-yl-1h-pyrazol-1-yl)phenyl]pyridine-3-carboxamide
+CC(=O)/N=C\1/N(N=C(S1)S(=O)(=O)N)C	MZM	n-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3h)-ylidene)acetamide
+CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O	MZN	7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{r})-1-propanoylpyrrolidin-3-yl]-4~{h}-2,6-naphthyridin-1-one
+COc1cccc(c1)Nc2c3c([nH]cn3)ncn2	MZO	n-(3-methoxyphenyl)-9h-purin-6-amine
+c1[nH+]c(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N	MZP	4-carbamoyl-1-beta-d-ribofuranosyl-imidazolium-5-olate-5'-phosphate
+CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(cc4F)F	MZQ	7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{r})-1-propanoylpyrrolidin-3-yl]-4~{h}-isoquinolin-1-one
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N	MZR	5-hydroxy-1-(beta-d-ribofuranosyl)-1h-imidazole-4-carboxamide
+c1cc(ccc1Cn2c(cc(n2)C(=O)O)C(=O)O)F	MZS	1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
+C[C@H](CCC(=O)O)[N+](C)(C)C	MZT	4-(trimethylammonio)pentanoic acid
+c1ccnc(c1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)c4[nH]nnn4	MZV	3-(pyridin-2-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
+CCc1nnc(s1)N	MZW	5-ethyl-1,3,4-thiadiazol-2-amine
+CC1=CC(=O)Nc2c1c(ccc2OC)OC	MZX	5,8-dimethoxy-4-methylquinolin-2(1h)-one
+C1=CNC(=S)N1	MZY	1,3-dihydroimidazole-2-thione
+c1cc(ccc1C(=O)n2ccnc2)N	MZZ	(4-aminophenyl)-imidazol-1-yl-methanone
+C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O	N	any 5'-monophosphate nucleotide
+CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)([O-])[O-])O)O)O	N01	3-acetylpyridine adenine dinucleotide
+CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)S(=O)(=O)O	N02	(1s,2s)-2-{[n-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-l-leucyl]amino}-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+Cc1c(c(c([nH]1)c2[nH]c3ccc(cc3n2)N)c4ccccc4)C(=O)C	N03	1-[5-(5-azanyl-1h-benzimidazol-2-yl)-2-methyl-4-phenyl-1h-pyrrol-3-yl]ethanone
+c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)COc2cccc(c2)\C=C/3\C(=O)NC(=O)S3	N04	(2r)-2-[[3-[[3-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid
+Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CCC(=O)O)C(C)C)C#N)N	N05	3-[1-[3-[(4~{s})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{h}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid
+Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O)N4CCCCC4	N07	[3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone
+c1cc(oc1)C(=O)NCCc2ccc(cc2)F	N08	~{n}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
+COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(=O)Oc4c3cccc4	N09	n-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4h)-yl)acetamide
+c1cc(cc(c1)F)C[C@@H](C(=O)O)N	N0A	3-fluoro-l-phenylalanine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OC(=O)[C@@H](CCCCNC(=O)OC[C@H]4C[C@@H]5C[C@H]4C=C5)N)O)O)N	N0B	adenylated norbornene
+Cc1ccc(c(c1)C)O	N0D	2,4-dimethylphenol
+c1ccc(cc1)CCC(=O)Nc2ccc(cc2)O	N0E	~{n}-(4-hydroxyphenyl)-3-phenyl-propanamide
+C[C@@H](c1ccccc1)NC(=O)c2ccccc2N=Cc3c4ccccc4ccc3O	N0G	2-{(z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-n-[(1s)-1-phenylethyl]benzamide
+c1ccc(cc1)OCC(=O)Nc2ccccc2O	N0H	~{n}-(2-hydroxyphenyl)-2-phenoxy-ethanamide
+CC[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O	N0J	(4s,7ar,9ar,10s,11e,15r)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@H]3C[C@H]([C@H]([C@H]3CO)O)O	N0K	5-[ethyl(methyl)amino]-~{n}-[6-[[(1~{s},2~{r},3~{s},4~{r})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
+C[C@@H]1CCCC[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O	N0M	(4s,7ar,9ar,10s,15r)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@@H]3[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO	N0N	5-(dimethylamino)-~{n}-[6-[[(1~{r},2~{r},3~{s},4~{s},5~{s})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
+c1cc2c3cc1C(=O)NS(=O)(=O)CCOCCCCCCN3C[C@@]4(CCc5c4ccc(c5)Cl)CO2	N0P	(4s)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3h,5h,14h-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15h,17h)-trione
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC[C@@H]3[C@@H]([C@@H]([C@@H](CN3)O)O)CO	N0Q	5-(dimethylamino)-~{n}-[6-[(2~{r},3~{r},4~{s},5~{r})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
+C[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O	N0S	(4s,7ar,9ar,10s,11e,15r)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione
+CCCCCCCCN[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO	N0T	(1~{s},2~{s},3~{s},4~{r},5~{r})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol
+COC[C@]1(CCN(C1)CC(=O)N2CCC(=CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C8CC8	N0V	(3r)-n-[3-(2-cyclopropylpyridin-4-yl)-1h-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2h)-yl}ethyl)pyrrolidine-3-carboxamide
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC[C@H]3[C@@H]([C@@H]([C@@H](CN3)O)O)CO	N0W	5-(dimethylamino)-~{n}-[6-[(2~{s},3~{r},4~{s},5~{r})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
+c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N	N0Z	2,4-bis(azanyl)-9~{h}-pyrimido[4,5-b]indol-6-ol
+CCCCCCNC(=O)OC[C@@H](C(=O)O)N	N10	o-[(hexylamino)carbonyl]-l-serine
+c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO	N11	6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
+[H]/N=C(\c1ccc(cn1)CNC(=O)C2(CCCC2)NC(=O)[C@@H](CC3CCCCC3)NCC(=O)O)/N	N12	n-[(1r)-2-[(1-{[({6-[amino(imino)methyl]pyridin-3-yl}methyl)amino]carbonyl}cyclopentyl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]glycine
+c1ccc2c(c1)[nH]c(n2)c3c4ccc(cc4[nH]n3)c5cc([nH]n5)CC(=O)Nc6cccc(c6)F	N13	2-{3-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-1h-pyrazol-5-yl}-n-(3-fluorophenyl)acetamide
+C[C@H]1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F	N14	5-fluoro-n-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4s)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
+CC(C)CCNC(=O)Cn1cc(cn1)c2ccc3c(c2)[nH]nc3c4[nH]c5ccccc5n4	N15	2-{4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-1h-pyrazol-1-yl}-n-(3-methylbutyl)acetamide
+C/C(=C/1\C(=O)[C@@H](NC1=O)Cc2ccccc2)/Nc3ccccc3	N16	(3z,5s)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione
+Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(cc3)Oc4ccncc4	N17	3-(4-methyl-1h-imidazol-1-yl)-n-[4-(pyridin-4-yloxy)phenyl]benzamide
+COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1	N18	methyl n-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate
+c1ccc(cc1)C[C@@H]2CN(CCN2)C(=O)c3ccc(cc3)S(=O)(=O)N	N19	4-[(3~{r})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
+C[C@@H]1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F	N1A	5-fluoro-n-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4r)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
+B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C	N1B	(s)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1h-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate
+c1nc2c3n1[C@H]4[C@@H](C(C(O4)CO[P@@](=O)(O[P@](=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N(C2=O)C=N3)O)O)O)O)O)O	N1C	n1-cyclic inosine 5'-diphosphoribose
+CN1C=C(c2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)C)C1=O)c4ccc(c(c4)OC)OC	N1D	7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one
+COC(=O)c1ccc2c(c1)cccn2	N1E	methyl quinoline-6-carboxylate
+c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4	N1G	1,5-diphenyl-n-(1h-tetrazol-5-yl)-1h-pyrazole-3-carboxamide
+c1cc(cc(c1)[N+](=O)[O-])c2cc(cc(c2O)c3cc4c([nH]3)ccc(n4)N)CC(=O)O	N1H	{5-(5-amino-1h-pyrrolo[3,2-b]pyridin-2-yl)-6-hydroxy-3'-nitro-biphenyl-3-yl]-acetic acid
+CCN1CC2(C1)CN(C2)c3ccc(nc3)Nc4ncc(c(n4)c5cnn6c5[C@@H](CCCC6)C)F	N1J	n-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4r)-4-methyl-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
+[C@H]1([C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N	N1L	2-amino-2-deoxy-beta-d-glucopyranuronic acid
+CNC(=O)c1ccccc1I	N1M	2-iodo-n-methylbenzamide
+Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCc4ccccc4)Cl)Cl	N1N	2-[[3,4-bis(chloranyl)-5-methyl-1~{h}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid
+CCC[N+](=O)[O-]	N1P	1-nitropropane
+COCCN1CCC(CC1)CNC(=O)c2c3cc(ccc3[nH]n2)c4cccc(c4F)F	N1Q	5-[2,3-bis(fluoranyl)phenyl]-~{n}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{h}-indazole-3-carboxamide
+CC(=CCC/C(=C/CC/C(=C\CO)/C)/C)C	N1S	(2z,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
+Cc1ccc(c(n1)N)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@@](=O)(O)[O-]	N1T	1'-deazo-thiamin diphosphate
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)OS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4	N1V	(8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H]([C@@H]2CCN=C(N2)N)NC(=O)N[C@H](Cc3ccc(cc3)O)C(=O)O	N1W	(2~{r})-2-[[(1~{s})-1-[(6~{s})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{s})-3-methyl-1-oxidanylidene-1-[[(2~{s})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+Cc1ccc(o1)[C@@H]2CCCCO2	N1X	(2s)-2-(5-methylfuran-2-yl)oxane
+c1cc(ncc1CN\2CCN/C2=C\[N+](=O)[O-])Cl	N1Y	2-chloro-5-{[(2e)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine
+CCCCCCCC[n+]1ccn(c1)C[C@@](O)(P(=O)(O)O)P(=O)(O)[O-]	N1Z	hydrogen [(1s)-1-hydroxy-2-(3-octyl-1h-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
+c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)O	N20	6-cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine
+c1cc(ccc1COc2ccc(cc2)\C=C/3\C(=O)NC(=O)S3)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O	N21	(2r)-2-[[4-[[4-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid
+CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC	N22	5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
+Cc1c(c2ccccc2[nH]1)CCNC(=O)c3cccs3	N23	n-[2-(2-methyl-1h-indol-3-yl)ethyl]thiophene-2-carboxamide
+c1cc(cc(c1)Br)[C@H]2N(C(=O)CS2)c3cc(ccc3O)Cl	N24	(2s)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one
+CC1(C[N@](C([N@](C1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)S(=O)(=O)c3ccc(cc3)OC)C	N25	1,3-bis-(4-methoxy-benzenesulfonyl)-5,5-dimethyl-hexahydro-pyrimidine-2-carboxylic acid hydroxyamide
+c1cc(cc2c1cc(cc2)OP(=O)(O)O)OP(=O)(O)O	N26	naphthalene-2,6-diyl bis[dihydrogen (phosphate)]
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NC(=O)C)C(=C)c3ccccc3)c4ccccc4	N27	n-[(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide
+c1cc(ccc1CN)NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO	N28	4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{n}-oxidanyl-benzamide
+CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=NC=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl	N2A	n-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide
+CCc1ccccc1	N2B	ethylbenzene
+CN[C@@H](CSC)C(=O)O	N2C	n,s-dimethylcysteine
+CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C=CC(=N4)c5ccc(c(c5)CNC(=O)c6ccccc6)Cl)Cl	N2D	n-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide
+Cc1cccnc1c2cnc3nc(nn3c2)c4cc(ccc4F)NC(=O)c5c(nc(o5)C)C	N2E	~{n}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
+Cc1ccc(cc1)S(=O)(=O)c2ccc(o2)[N+](=O)[O-]	N2F	2-[(4-methylphenyl)sulfonyl]-5-nitrofuran
+c1ccc2c(c1)cccc2CNC3=Nc4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O)C(=O)N3	N2G	2'-deoxy-n-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate)
+C(CCNC(O)O)CN	N2H	(4-azanylbutylamino)methanediol
+C=Nc1ccc2ccccc2c1	N2I	n-(naphthalen-2-yl)methanimine
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4	N2J	n-[(1s,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide
+CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F	N2K	~{n}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
+c1cc2cc(ccc2c(c1)N)S(=O)(=O)O	N2M	5-amino-naphtalene-2-monosulfonate
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@@H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4	N2N	dichloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
+N#[N+][O-]	N2O	nitrous oxide
+C(CCN)CCN	N2P	pentane-1,5-diamine
+Cc1ccc(o1)c2ccn[nH]2	N2Q	(5p)-5-(5-methylfuran-2-yl)-1h-pyrazole
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4	N2R	dichloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@H]2C(=O)OC5)NC(=O)CC[C@H]6C[NH2][Pt]([NH2]6)Cl)OCO4	N2S	chloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
+CN(C1CCNCC1)C(=O)N2CC(=C[C@H]2c3ccccc3)c4cc(ccc4F)F	N2T	(2s)-4-(2,5-difluorophenyl)-n-methyl-2-phenyl-n-piperidin-4-yl-2,5-dihydro-1h-pyrrole-1-carboxamide
+CC[C@@H](c1ccccc1)N2Cc3cc4c(cc3C[C@H]2C(=O)N[C@@H](Cc5ccc(cc5)c6ccnc(c6C)C)C(=O)O)OC[C@@H](O4)c7ccc(cc7)OCc8ccc(c(c8)Cl)Cl	N2V	n-{(3s,8s)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1s)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-l-phenylalanine
+COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@H]2C(=O)OC5)NC(=O)CC[C@@H]6C[NH2][Pt]([NH2]6)Cl)OCO4	N2W	chloro{4,5-di(amino-kappan)-n-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum
+[H]/N=C\1/NCCN1Cc2ccc(nc2)Cl	N2Y	(2z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine
+c1ccc(c(c1)c2[nH]cnn2)Cl	N2Z	3-(2-chlorophenyl)-4~{h}-1,2,4-triazole
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)O)N	N30	(1r,2r,3s,4r,6s)-4,6-diamino-2-[(5-amino-5-deoxy-beta-d-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-d-glucopyranoside
+C[C@@]1([C@@H]2C[C@@H]3CC[C@]2(CC3=C)C=CC1=O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O	N32	2,4-dihydroxy-3-({3-[(2s,4as,8s,8ar)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2h-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OCO[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O)CO)O)N)N)O)O)N	N33	(2s,3r,4r,5s,6r)-3-amino-4-({[(2s,3r,4r,5s,6r)-3-amino-2-{[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}methoxy)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,5-diol
+CC(C)(C)CCN1C(=O)C(=C([C@H]2[N@@]1CCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C	N34	n-{3-[1-(3,3-dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide
+CC(C)CCN1C(=O)C(=C(C(=N1)N2CCCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C	N35	n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+c1cc(cc(c1)C(=O)N)C#C[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	N37	9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-d-glycero-alpha-l-talo-decofuranuronosyl}-9h-purin-6-amine
+COc1ccc(cc1)OCCCS(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO	N38	3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-l- alaninamide
+C[C@@]1([C@@H]2C[C@@H]3C[C@H]([C@]2(CC3=C)C=CC1=O)O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O	N3A	2,4-dihydroxy-3-({3-[(2r,4ar,8s,8ar,9r)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2h-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid
+c1ccc(cc1)SCCNc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F	N3B	n-[(4'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-3-nitro-4-{[2-(phenylsulfanyl)ethyl]amino}benzenesulfonamide
+CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl	N3C	4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-n-{[4-({(1r)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide
+CNCCCN	N3D	n-methylpropane-1,3-diamine
+C1CN(CCC1C(=O)O)[C@@H]2[C@H](O[C@H]([C@H]2O)N3C=CC(=O)NC3=O)CO	N3E	1-[3-(4-carboxypiperidin-1-yl)-3-deoxy-beta-d-arabinofuranosyl]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C(=O)c2ccc(cc2)Nc3ccccc3N	N3F	{4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone
+c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N	N3G	n-{[4-(6-amino-9h-purin-9-yl)butyl]sulfamoyl}-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C	N3H	n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+CC(=O)Nc1cccc(c1)N	N3M	n-(3-aminophenyl)acetamide
+c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O	N3P	n-(4-chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
+c1c(cc(c(c1Cl)c2[nH]cnn2)Cl)N(CCO)CCO	N3Q	2-[[3,5-bis(chloranyl)-4-(4~{h}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol
+Cc1cc(c(cn1)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@@](=O)(O)[O-])N	N3T	3'-deazo-thiamin diphosphate
+c1cc(c(c(c1)N)Cl)c2[nH]cnn2	N3W	2-chloranyl-3-(4~{h}-1,2,4-triazol-3-yl)aniline
+CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc4c(c3)C(=C)CO4)OC)OC)OC	N3Z	~{n}-[(10~{s})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide
+CCCCCCCCS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	N40	3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-(octylsulfonyl)-l-alaninamide
+c1cc(ccc1C(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3	N41	4-(6-cyclohexylmethoxy-9h-purin-2-ylamino)--benzamide
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(c(c4)NC(=O)C=C)C(=O)N5CCOCC5)C	N42	n-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide
+C=CCN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)[O-])OCO4	N44	5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate
+CC1=C2C(=O)NC3(N2C(=O)C(=C1)Nc4cc(ncn4)N)CCCCC3	N45	6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'h-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
+Cc1cc(nc(n1)Nc2ccc(c(c2)OCCCN3CCCC3)OC)NC	N47	n~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-n~4~,6-dimethylpyrimidine-2,4-diamine
+CC1=CC(=O)N(c2c1cc(c(c2)OC)NS(=O)(=O)c3ccc(cc3)C#N)C	N48	4-cyano-n-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide
+[H]/N=C(\c1ccc(cc1)Oc2ccc(c(n2)Oc3ccc(cc3)/C(=N\[H])/N)NS(=O)(=O)c4ccc5ccccc5c4)/N	N4A	4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide
+CCCCc1ccccc1	N4B	n-butylbenzene
+[H]/N=C(\N)/c1ccc(cc1)Oc2nc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N\[H])/N	N4C	n-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide
+Cc1ccc(cc1Nc2c3cnn(c3ncn2)c4ccccc4)C(=O)NC	N4D	n,4-dimethyl-3-[(1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
+CCOc1ccc(cc1)NC(=O)C	N4E	n-(4-ethoxyphenyl)acetamide
+c1cc(cc(c1)O)CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N	N4I	4-({(3s,4s)-4-[(3-hydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide
+Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(cc4)OC5CCNCC5)C6CCC6	N4K	5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole
+C[C@H]1[C@@H](NC2=C(N1)NC(=NC2=O)N)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O	N4M	1-[4-({(1r)-1-[(6s,7s)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-o-{5-o-[(r)-{[(1r)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-d-ribofuranosyl}-d-xylitol
+c1ccnc(c1)c2csc(n2)Nc3cccc(c3)C(=O)O	N4N	3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
+C(CCN(CCCN)CCCN)CN	N4P	n,n-bis(3-aminopropyl)butane-1,4-diamine
+COc1ccc(cc1)c2cn3cc(ccc3n2)c4cc(cc(c4)OC)OC	N4Q	6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
+CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2	N4R	nexturastat a
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NCCCNCCCCNCCCN)COP(=O)(O)O)O	N4S	n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2'-deoxycytidine 5'-(dihydrogen phosphate)
+c1ccc(cc1)[C@@H]2C=C(CN2C(=O)[C@H](C3CC3)N)c4cc(ccc4F)F	N4T	(1s)-1-cyclopropyl-2-[(2s)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1h-pyrrol-1-yl]-2-oxoethanamine
+CS(=O)(=O)c1ccc(c(c1)Nc2ncccn2)N[C@@H](c3cccc(c3)Cl)c4ccccn4	N4W	~{n}1-[(~{s})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{n}2-pyrimidin-2-yl-benzene-1,2-diamine
+COc1nc(nc(n1)N2CCNCC2)Nc3cc(ccc3N[C@@H](c4cccc5c4OC(O5)(F)F)c6c(cccn6)Cl)S(=O)(=O)C	N4Z	~{n}1-[(~{s})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]-~{n}2-(4-methoxy-6-piperazin-1-yl-1,3,5-triazin-2-yl)-4-methylsulfonyl-benzene-1,2-diamine
+Cc1c(nc(nc1OC)OC)C=C(CO)CO	N50	2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol
+CN(C)C/C=C/C(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3cc(ncn3)c4c[nH]c5c4cccc5	N51	4-{[(2e)-4-(dimethylamino)but-2-enoyl]amino}-n-(3-{[6-(1h-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide
+CC1(c2c(c([nH]n2)NC(=O)c3cccc(c3)Oc4ccccc4)CN1C(=O)N5CCN(C[C@@H]5Cc6ccccc6)C)C	N53	n-[6,6-dimethyl-5-[(2s)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide
+C=C[C@H](c1ccc(cc1)c2ccc(c(c2)Cl)O)n3ccnc3	N55	2-chloranyl-4-[4-[(1~{r})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol
+c1cc(nc2c1[nH]c(n2)N3CCC[C@@H](C3)NCc4cc(cc(c4)Cl)Cl)Cl	N56	(3s)-1-(5-chloro-1h-imidazo[4,5-b]pyridin-2-yl)-n-[(3,5-dichlorophenyl)methyl]piperidin-3-amine
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O)O	N57	(2s,3s,4r)-2-amino-3,4-dihydroxyoctadecyl alpha-d-galactopyranoside
+CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Sc3ccncc3	N58	1-(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)-3-[4-(pyridin-4-ylsulfanyl)phenyl]urea
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCN)O)O)N	N5A	5'-n-[(2-amino)ethyl carboxamido] adenosine
+c1ccc(cc1)C(=O)Nc2cc(n[nH]2)C3CC3	N5B	n-(5-cyclopropyl-1h-pyrazol-3-yl)benzamide
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N)[N+](=O)[O-]	N5C	5-nitrocytidine 5'-(tetrahydrogen triphosphate)
+Cc1cc(no1)NC(=O)Nc2cnn(c2)CC(=O)NC3CC3	N5D	n-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1h-pyrazol-1-yl)acetamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCC(=O)O)C(=O)O)O	N5F	(2s)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanedioic acid
+C1CC(CCC1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CN[C@@H]3[C@H]([N@@]2COP(=O)(O)O)[C@H](N[C@@H](N3)N)O	N5G	n-({trans-4-[({(2r,4r,4as,6s,8as)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-l-glutamic acid
+C[C@@H](C/C=C/C=C/CCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O	N5H	(2~{e},5~{r},10~{e},12~{e},15~{s},19~{r})-20-[[(2~{r},3~{r})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid
+c1cc2c(ccn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)cc1[N+](=O)[O-]	N5I	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole
+c1cncc2c1C(=O)NC=N2	N5J	3h-pyrido[3,4-d]pyrimidin-4-one
+COc1nc(nc(n1)Nc2cc(ccc2N[C@@H](c3cccc4c3OC(O4)(F)F)c5c(cccn5)Cl)S(=O)(=O)N)N	N5K	3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{s})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-]	N5M	5-nitrocytidine 5'-(dihydrogen phosphate)
+[H]/N=C(/N)\N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N(CC(=O)O)C2CC2)NS(=O)(=O)c3ccc4ccccc4c3	N5N	2-[[(2s)-4-[[(3s)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCO)O)O)N	N5O	5'-n-(2-hydroxyl)ethyl carboxyamido adenosine
+c1cc2c(ccn2C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)cc1[N+](=O)[O-]	N5P	1-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-5-nitro -1h-indole
+c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O	N5Q	4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid
+Cc1ccc(o1)[C@@](CCNC(=O)Nc2cc(on2)C)(C(F)(F)F)O	N5S	n-(5-methyl-1,2-oxazol-3-yl)-n'-[(3s)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea
+CN(C)C(=O)N1CC(=C[C@H]1c2ccccc2)c3cc(ccc3F)F	N5T	(2s)-4-(2,5-difluorophenyl)-n,n-dimethyl-2-phenyl-2,5-dihydro-1h-pyrrole-1-carboxamide
+CCNC(=O)Nc1nccs1	N5V	n-ethyl-n'-1,3-thiazol-2-ylurea
+c1cc(ccc1Cn2ccnc2)c3ccc(cc3)C(F)(F)F	N5W	1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)C(=O)c3ccccc3	N5Y	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzamide
+c1cc(ccc1/C=C/Cn2ccnc2)c3ccc(cc3)F	N5Z	1-[(~{e})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole
+CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Oc3ccncc3	N61	1-(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea
+c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCC4=Cc5c(ccc(c5F)F)OC4=O)O	N62	~{n}-[[(2~{s},3~{s},4~{r},5~{s},6~{r})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide
+Cc1cc(no1)NC(=O)NCCCN2CCN(CC2)c3ccccc3	N64	n-(5-methyl-1,2-oxazol-3-yl)-n'-[3-(4-phenylpiperazin-1-yl)propyl]urea
+CCC/C(=N/CCCC[C@@H](C(=O)O)N)/C	N65	(2~{s})-2-azanyl-6-[(~{e})-pentan-2-ylideneamino]hexanal
+CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC	N66	~{n}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
+Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC	N67	n-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide
+C(CCCOP(=O)(O)O)CCN	N68	6-aminohexyl dihydrogen phosphate
+CC(C)c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3	N69	6-(cyclohexylmethoxy)-8-isopropyl-9h-purin-2-amine
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccccc3	N6A	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cc(c(c(c5)F)F)F)O	N6B	4-fluoranyl-~{n}-[[(2~{s},3~{r},4~{r},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide
+CCCCCC[N+](=O)[O-]	N6C	1-nitrohexane
+Cc1cc(no1)NC(=O)Nc2cccc(c2)COC	N6D	n-[3-(methoxymethyl)phenyl]-n'-(5-methyl-1,2-oxazol-3-yl)urea
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	N6E	n6-methyladenosine 5'-triphosphate
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)N	N6G	((2r,3s,4r,5s)-5-(2,6-diamino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate
+CC1(CN(CCO1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl)C	N6H	[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
+Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3	N6J	n-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1h-pyrazol-4-yl}-n'-(5-methyl-1,2-oxazol-3-yl)urea
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3Cl)Cl)N	N6L	d-phenylalanyl-n-(2,5-dichlorobenzyl)-l-prolinamide
+CNc1c2c([nH]cn2)ncn1	N6M	n-methyl-9h-purin-6-amine
+c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O	N6P	6-(naphthalen-2-yl)-9-(5-o-phosphono-beta-d-ribofuranosyl)-9h-purine
+CC(C)CCCC(=C)C=C	N6Q	7-methyl-3-methylidene-oct-1-ene
+C[C@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@](=O)(O5)O)O	N6R	(2r)-n6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate
+C[C@@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@@](=O)(O5)O)O	N6S	(2s)-n6-(1-methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CP(=O)(NP(=O)(O)O)O)O)O	N6T	2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine
+CCN(CC)CCn1ccc2c1ccc(c2)NC(=O)Nc3cc(on3)C	N6V	n-{1-[2-(diethylamino)ethyl]-1h-indol-5-yl}-n'-(5-methyl-1,2-oxazol-3-yl)urea
+c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N	N6W	benzo[b][1]benzazepine-11-carboxamide
+c1cc(cc(c1)N)c2cccnc2	N6Y	3-(pyridin-3-yl)aniline
+CCC(=O)N(C)CCOc1c(ncnc1N)c2cc(cc(c2C)NC(=O)c3ccc(cc3F)C4CC4)F	N6Z	~{n}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide
+Cc1cc(no1)NC(=O)NCCS(=O)(=O)c2ccccc2	N71	n-(5-methyl-1,2-oxazol-3-yl)-n'-[2-(phenylsulfonyl)ethyl]urea
+C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O	N72	(2~{r})-2-[[(3~{r},4~{r},5~{s})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid
+CC(C)[C@H](C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2	N73	(2~{r})-3-methyl-~{n}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide
+Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3	N74	n-(1-benzyl-1h-pyrazol-4-yl)-n'-(5-methyl-1,2-oxazol-3-yl)urea
+c1cc(cc(c1)Cl)C#Cc2c3cc(c(cc3oc2c4ccc(cc4)OCC(=O)NC5CC5)O)C(=O)O	N75	3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid
+c1cc(cc(c1)S(=O)(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3	N76	3-(6-cyclohexylmethoxy-9h-purin-2-ylamino)-benzenesulfonamide
+c1cc(cnc1)CNC(=O)c2[n+](c3cc(cc(c3s2)NO)C(F)(F)F)[O-]	N77	7-(hydroxyamino)-n-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide
+CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O	N78	~{n}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
+[B-]12(c3ccccc3CO1)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	N79	[(1s,5r,6r,8r)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate
+c1cc(ccc1NC(=O)NCCCCO)S(=O)(=O)N	N7A	4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
+CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6	N7B	~{n}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
+c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCCCO	N7D	3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCCOC)O	N7E	n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(5-methoxypentyl)-beta-alaninamide
+c1ccc(cc1)Cn2c3c(c(c2N4CCC[C@@H](C4)N)C#N)N=CN(C3=O)Cc5ccnc6c5cccc6	N7F	6-[(3s)-3-aminopiperidin-1-yl]-5-benzyl-4-oxo-3-(quinolin-4-ylmethyl)-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
+CC(C)(C)[C@H](C(=O)NCCC(=O)NCCCCCOC)O	N7G	(2r)-2-hydroxy-n-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide
+Cc1c2cc3[n+]4c(c(c5c(c(c6n5[Fe]47n2c(c1C=C)cc8[n+]7c(c6)C(=C8C)CCC(=O)[O-])CCC(=O)[O-])C)N(=O)=O)C(=C3C=C)C	N7H	delta-meso nitroheme
+COc1cc(ccc1O)/C=C/CO	N7I	4-[(1e)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
+c1cc2c(cc1S(=O)(=O)N)NC(=NO)O2	N7J	(2z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
+CCC(=O)Nc1cccc(c1)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6	N7K	~{n}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
+c1cc(ccc1NC(=O)NCCO)S(=O)(=O)N	N7M	4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide
+c1ccc2c(c1)ccnc2C(=O)N[C@H]3CCCC[C@H]4CC[C@H](N4C3=O)C(=O)N[C@@H](CC(=O)O)CO	N7N	(3~{s})-3-[[(3~{s},6~{s},10~{a}~{s})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{h}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid
+C[P@@](=O)([C@@H](c1csc2c1cc(cc2)Cl)C(=O)N/C=C/c3ccc(c(c3)F)F)O	N7O	(s)-[(1s)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(e)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid
+CC(=O)N1CCC[C@H]1C(=O)O	N7P	1-acetyl-l-proline
+CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5	N7Q	~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
+c1cc(c(c(c1)F)F)[C@@H]2CC[C@H](C(=O)N(C2)CC(F)(F)F)NC(=O)N3CCC(CC3)N4c5cccnc5NC4=O	N7R	n-[(3r,6s)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
+c1cc(c(cc1S(=O)(=O)N)NC(=O)NCCCCO)O	N7S	4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
+C(CC(=O)O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O	N7T	(2~{s})-2-[[(3~{s},4~{r},5~{r})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid
+C[C@@H](c1ccc(cc1)[N+](=O)[O-])N2c3cc(ccc3OC2=O)S(=O)(=O)N	N7V	3-[(1s)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
+CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5	N7W	~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide
+CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)OCCOC	N7X	5'-o-[(r)-hydroxy(sulfanylidene)-lambda~5~-phosphanyl]-2'-o-(2-methoxyethyl)-5-methylcytidine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N	N7Y	adenosine 3',5'-bis(trihydrogen diphosphate)
+CCC(=O)Nc1cc(ccc1OCCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)Cl)OCc5ccccn5	N7Z	~{n}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide
+C=CN1CCC[C@H]1C(=O)O	N80	1-ethenyl-l-proline
+C([C@@H]([C@@H](C(=O)O)O)C(=O)O)C(=O)O	N81	3-carboxy-2,3-dideoxy-d-erythro-pentaric acid
+CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O	N82	~{n}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide
+c1cc(c(cc1S(=O)(=O)N)NC(=O)NCc2ccncc2)O	N84	4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide
+c1ccc2c(c1)cc([nH]2)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	N85	n-[(1h-indol-2-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O	N87	(1r,4r,5r)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid
+CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O	N88	(1r,4r,5r)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
+c1ccnc(c1)CCNC(=O)Nc2cc(ccc2O)S(=O)(=O)N	N8A	4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide
+CCCCCCCC[N+](=O)[O-]	N8C	1-nitrooctane
+CCCCCCCCOCCOCCOCCOCCOCCO	N8E	3,6,9,12,15-pentaoxatricosan-1-ol
+C1[C@@H](O[C@@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F	N8G	[[(2~{s},5~{r})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+c1ccc(cc1)CS(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H](O3)c4ccc(cc4Cl)Cl)CC5CCC5	N8J	(2s)-n-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2h-1,4-benzoxazine-6-carboxamide
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccccn5	N8K	n-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CN(C)C)O)O)N	N8M	5'-deoxy-5'-(dimethylamino)-8-methyladenosine
+c1ccnc(c1)[C@H]2N(C(=O)CS2)c3cccc(c3)Cl	N8N	(2s)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one
+CC(=O)N1CCC[C@@H]1C(=O)O	N8P	n-acetyl-d-proline
+c1cc(cnc1)C2=NNC(=S)N2C[C@@H]3CCCO3	N8Q	4-[[(2~{s})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{h}-1,2,4-triazole-5-thione
+Cc1c(cn(n1)C)c2cc3c(c(c2)C(=O)Nc4c(ccc(c4F)NS(=O)(=O)c5ccccc5F)Cl)ncnc3N	N8S	4-amino-n-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1h-pyrazol-4-yl)quinazoline-8-carboxamide
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCSc4c5ccccc5nc6c4CCCC6	N8T	n-[8-(1,2,3,4-tetrahydroacridin-9-ylthio)octyl]-1,2,3,4-tetrahydroacridin-9-amine
+CCCCCCCCN[C@@H]1C=C([C@@H]([C@@H]([C@H]1O)O)O)CO	N8V	(1s,2s,3s,6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol
+CC(=O)N[C@H]1CN2[C@H](COC2=O)[C@@H]([C@@H]1O)O	N8W	~{n}-[(6~{s},7~{r},8~{s},8~{a}~{r})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide
+COc1ccc2c(c1)c(ncn2)N	N8Y	6-methoxyquinazolin-4-amine
+CCn1c(nnc1S)c2c(c(n(n2)C)C)Cl	N8Z	5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol
+CC(=O)Nc1ccc2c(c1)ncn2C	N91	n-(1-methylbenzimidazol-5-yl)acetamide
+c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O)Cl	N92	4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid
+CN(CCNCc1cc(cc(c1)Cl)Cl)c2[nH]c3ccc(nc3n2)Cl	N93	5-chloro-n-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-n-methyl-3h-imidazo[4,5-b]pyridin-2-amine
+c1cc2c(c(c1)C(=O)Nc3c(ccc(c3F)NS(=O)(=O)N4CCCC4)Cl)ncnc2N	N94	4-amino-n-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide
+B(c1cnn(c1)c2cc(ncn2)Cl)(O)O	N95	[1-(6-chloropyrimidin-4-yl)-1h-pyrazol-4-yl]boronic acid
+c1cc(c(cc1F)S(=O)(=O)Nc2ccc(c(c2F)NC(=O)c3csc4c3ncnc4NC5CCC(CC5)N)Cl)F	N97	4-[(trans-4-aminocyclohexyl)amino]-n-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide
+COC(=O)c1cc(nc2n1nc(c2)c3ccccc3)c4ccc5c(c4)OCO5	N98	methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate
+CCc1cccc(c1)N2[C@H](C[C@H](N2)C(=O)O)C[C@H](C(=O)O)N	N9A	(3s,5s)-5-[(2r)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid
+COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(=C)C2)OC	N9B	1,2,3,9-tetramethoxy-6-methylidene-5~{h}-cyclohepta[a]naphthalen-8-one
+CCCc1ccc(cc1)N2[C@H](C[C@@H](N2)C(=O)O)C[C@H](C(=O)O)N	N9D	(3r,5s)-5-[(2r)-2-amino-2-carboxyethyl]-1-(4-propylphenyl)pyrazolidine-3-carboxylic acid
+CN(C)C(=O)c1ccc(nc1)Nc2cc(ccn2)N3CC[C@@](C3=O)(C#N)C4CC4	N9G	6-({4-[(3s)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-n,n-dimethylpyridine-3-carboxamide
+CCNC(=O)N1[C@](CC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3	N9H	(5s)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-n-ethyl-5-phenyl-4,5-dihydro-1h-pyrazole-1-carboxamide
+c1ccc(cc1)COC(=O)NO	N9J	benzyl hydroxycarbamate
+CN[C@@H](Cc1ccc(cc1)O)C(=O)O	N9K	(2~{s})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
+c1ccc(cc1)COC(=O)NOC(=O)O	N9M	benzyl (carboxyoxy)carbamate
+c1cc(ccc1C(=O)c2ccc(c(c2O)O)O)O	N9N	(4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone
+c1cnccc1C[C@@H](C(=O)O)N	N9P	3-pyridin-4-yl-l-alanine
+c1cc(cc(c1)Cl)c2ccc(cc2)C[C@H](CC(=O)O)NC(=O)CCC(=O)O	N9Q	4-[[(2~{r})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	N9S	4-o-alpha-d-glucopyranosyl-beta-d-glucopyranose
+COc1cc2c(cc1OC)OC(=O)C(=C2)NC(=O)[C@@H]3CCC[C@@H](C3)NCc4ccccc4	N9T	(1~{r},3~{s})-~{n}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide
+CC[C@@H](C(=O)O)C(=O)SCCNC(=O)/C=C/NC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	N9V	5'-o-[(s)-{[(s)-[(3r)-4-({(1e)-3-[(2-{[(2s)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
+CN1CCc2c(c3ccccc3n2Cc4ccc(cc4)C(=O)NO)C1	N9W	4-[(2-methyl-3,4-dihydro-1~{h}-pyrido[4,3-b]indol-5-yl)methyl]-~{n}-oxidanyl-benzamide
+c1ccnc(c1)NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC3CCCC3)CN(C=O)O	N9Y	(3s)-2-{(2r)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-n-(pyridin-2-yl)hexahydropyridazine-3-carboxamide
+CC1(CC1)Nc2c3c(ccc(n3)CC#N)nc(n2)Nc4cnn(c4)C	N9Z	2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile
+[Na+]	NA	sodium ion
+CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O	NA0	3-acetylpyridine adenine dinucleotide phosphate
+CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@@H]1O)COC)O)O	NA1	2-acetamido-2-deoxy-6-o-methyl-alpha-d-allopyranose
+[OH2-][Na+][OH2-]	NA2	sodium ion, 2 water coordinated
+c1c(cncc1Br)C(=O)N[C@@H](CC(=O)O)C=O	NA3	(3s)-3-{[(5-bromopyridin-3-yl)carbonyl]amino}-4-oxobutanoic acid
+c1cc(ccc1c2cc(cnc2)C(=O)N[C@@H](CC(=O)O)C=O)C(=O)O	NA4	4-[5-(2-carboxy-1-formyl-ethylcarbamoyl)-pyridin-3-yl]-benzoic acid
+[OH2-][Na+]([OH2-])([OH2-])([OH2-])[OH2-]	NA5	sodium ion, 5 waters coordinated
+[OH2-][Na+]([OH2-])([OH2-])([OH2-])([OH2-])[OH2-]	NA6	sodium ion, 6 waters coordinated
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)OP(=O)(O)O)N	NA7	[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)[NH3+]	NA8	(1s)-1-carboxy-2-naphthalen-2-ylethanaminium
+[H]/N=C(\c1ccc(cn1)CNC(=O)[C@H](C)N(C)C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)/N	NA9	n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({6-[amino(imino)methyl]pyridin-3-yl}methyl)-n~2~-methyl-l-alaninamide
+CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	NAA	2-acetamido-2-deoxy-beta-d-allopyranose
+c1ccc2c(c1)c(ccc2O)/N=N/c3ccccc3C(=O)O	NAB	2-((4'-hydroxynaphthyl)-azo)benzoic acid
+CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NAC	3-acetyl pyridine adenine dinucleotide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	NAD	nicotinamide-adenine-dinucleotide
+CC(=O)Cc1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NAE	nicotinamide adenine dinucleotide acetone adduct
+C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O	NAF	m-(n,n,n-trimethylammonio)-2,2,2-trifluoro-1,1-dihydroxyethylbenzene
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	NAG	2-acetamido-2-deoxy-beta-d-glucopyranose
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	NAH	nicotinamide-adenine-dinucleotide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N	NAI	1,4-dihydronicotinamide adenine dinucleotide
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N	NAJ	nicotinamide-adenine-dinucleotide (acidic form)
+CC(=[NH2+])C(=O)[O-]	NAK	amino-acrylate
+c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)N	NAL	beta-(2-naphthyl)-alanine
+c1ccc2c(c1)cccc2C[C@@H](C(=O)N)N	NAM	nam napthylaminoalanine
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	NAN	5-n-acetyl-alpha-d-neuraminic acid
+[OH2-][Na+]	NAO	sodium ion, 1 water coordinated
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N	NAP	nadp nicotinamide-adenine-dinucleotide phosphate
+CCC(=O)[C@@H](C)c1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NAQ	nicotinamide adenine dinucleotide 3-pentanone adduct
+c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O	NAR	naringenin
+c1ccc2cc(ccc2c1)S(=O)(=O)O	NAS	2-naphthalenesulfonic acid
+CCOC(=O)C1=C(NC(=S)N[C@H]1c2cccc(c2)O)C	NAT	ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
+CC(=O)N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(CCC(=O)O)(O)O	NAU	4,4,6,7,8,9-hexahydroxy-5-methylcarboxamidononanoic acid
+CC(=O)N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)CCC(=O)O	NAV	6,7,8,9-tetrahydroxy-5-methylcarboxamido-4-oxononanoic acid
+[OH2-][Na+]([OH2-])[OH2-]	NAW	sodium ion, 3 waters coordinated
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)O)N	NAX	beta-6-hydroxy-1,4,5,6-tetrhydronicotinamide adenine dinucleotide
+CC(=O)N[C@H](CCC(=O)C(=O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	NAY	6,7,8,9-tetrahydroxy-5-methylcarboxamido-2-oxononanoic acid
+Cc1ccc2ccc(nc2n1)NC(=O)CCNCCC(=O)NCc3ccc4c(n3)NC(=O)C=C4	NAZ	n~3~-{3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}-n~1~-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]-bet a-alaninamide
+CCCC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	NB1	(3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+[H]/N=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C	NB2	(1r,2s,5s)-n-{(1z,2s)-1-imino-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-n-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-l-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
+Cc1nc(c(c(n1)N2CCN3CCOC[C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(CO)O	NB4	(2r)-2-(cyclopentylmethyl)-n'-{5-fluoro-6-[(9as)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1h)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide
+Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CC6(C5)CN(C6)C)OC7(CC7)C)F	NB5	7-fluoranyl-~{n}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
+c1ccc(cc1)C(=O)NNS(=O)(=O)c2ccccc2F	NB7	n'-[(2-fluorophenyl)sulfonyl]benzohydrazide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)NO)N)O)O)N	NB8	5'-o-[(r)-{[(2s)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine
+CNCCCNCCCNCCC(O)O	NBA	3-[(3-{[3-(methylamino)propyl]amino}propyl)amino]propane-1,1-diol
+CCCCNS(=O)(=O)c1ccccc1	NBB	n-butyl-benzenesulfonamide
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC[N+](=O)[O-])O	NBC	s-4-nitrobutyryl-coa
+c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)[n+]6cccc(c6)C(=O)N)O)O)O)O	NBD	n6-benzyl-nicotinamide-adenine-dinucleotide
+c1ccc(cc1)N=O	NBE	nitrosobenzene
+B(CNC(=O)c1c2ccccc2ccc1OCC)(O)O	NBF	[(2-ethoxy-1-naphthoyl)amino]methylboronic acid
+CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	NBG	n-acetyl-beta-d-glucopyranosylamine
+CCCN(Cc1ccccc1)Cc2ccc(cc2)NC(=O)Cc3ccc(cc3)S(=O)(=O)CC	NBH	n-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide
+c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-]	NBI	2-nitro-n-phenylbenzamide
+c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I	NBJ	n'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
+Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CCN(CC5)C)OC6(CC6)C)F	NBK	7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{n}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
+CC(C)C[C@@H](C(=O)N[C@@H]1CCN(C1)C#N)NC(=O)OCc2ccccc2	NBL	n2-[(benzyloxy)carbonyl]-n1-[(3s)-1-cyanopyrrolidin-3-yl]-l-leucinamide
+c1cc(ccc1CSc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[N+](=O)[O-]	NBM	6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-d-ribofuranosyl-9h-purine
+CCCC[N+]#[C-]	NBN	n-butyl isocyanide
+CC(=O)CCc1ccc2cc(ccc2c1)OC	NBO	nabumetone
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4Br)OP(=O)(O)O)O)O)O)C(=O)N	NBP	nicotinamide 8-bromo-adenine dinucleotide phosphate
+c1ccc2cc(ccc2c1)OC/C(=C\C=O)/Nc3cc(c(cc3O)O)C[C@@H](C(=O)O)N	NBQ	2-hydroxy-5-({1-[(2-naphthyloxy)methyl]-3-oxoprop-1-enyl}amino)tyrosine
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)OCCOc3ccc(cc3)C[n+]4ccc(cc4)N(C)C	NBR	1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-n,n-dimethyl-pyridin-4-amine
+c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)OP(=O)(O)O)O)O	NBS	n6-benzyl adenosine-5'-diphosphate
+CC[C@H](C)[N+](=O)[O-]	NBT	(2s)-2-nitrobutane
+CCCC	NBU	n-butane
+CCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O	NBV	(2r,3r,4r,5s)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
+CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)Nc4cnn(c4)C5CCN(CC5)C	NBW	~{n},~{n}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N	NBX	n-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]	NBY	n-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-d-glucopyranosylamine
+c1ccc(cc1)[N+](=O)[O-]	NBZ	nitrobenzene
+CN	NC	methylamine group
+c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-])C(=O)OC[C@@H](C(=O)[O-])N	NC1	nitrocefin acyl-serine
+c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)OC[C@@H](C(=O)O)N	NC2	nitrocefin acyl-serine
+C1CCC(CC1)NC(=O)NCC(=O)O	NC3	n-[(cyclohexylamino)carbonyl]glycine
+C1CCC(CC1)NC(=O)NCCCC(=O)O	NC4	4-{[(cyclohexylamino)carbonyl]amino}butanoic acid
+CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@@H]5CC	NC5	3-[(2r)-2-ethylpiperidin-1-yl]-n-[6-({3-[(2s)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide
+C1CCC(CC1)NC(=O)NCCCCCC(=O)O	NC6	6-{[(cyclohexylamino)carbonyl]amino}hexanoic acid
+C1CCC(CC1)NC(=O)NCCCCCCC(=O)O	NC7	7-{[(cyclohexylamino)carbonyl]amino}heptanoic acid
+c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)COC(=O)c4ccc(cc4)Br)N	NC8	(3r)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1h-azepinium
+c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)CO)N	NC9	(3r)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1h-azepinium
+c1cc(cnc1)C(=O)N	NCA	nicotinamide
+C[C@H](C(=O)O)NC(=O)N	NCB	n-carbamoyl-alanine
+CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O	NCC	cytidine-5'-monophosphate-5-n-acetylneuraminic acid
+C([C@@H](C(=O)O)NC(=O)N)C(=O)O	NCD	n-carbamoyl-l-aspartate
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCOCC4)NC(=O)CCN5CCOCC5	NCE	3,6-bis[(3-morpholinopropionamido)] acridine
+c1cc(sc1)CC(=O)N[C@@H]([C@@H]2N=C(CCS2)C(=O)O)C(=O)O	NCF	(2r)-2-{(1r)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1cc(cc2c1ccc(c2C(=O)O[C@H]3[C@@H](c4cc5c(cc4[C@@H]3SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N)[C@](C=C5)([C@H]6COC(=O)O6)O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)NC)O)OC	NCG	[(r)-4-((1,3-dioxolane-2-oxy)-4-(s)-yl)-4-hydroxy]-(r)-10-(2-methylamino-5-methyl-2,6-dideoxygalactopyranosyl-oxy)-(r)-11-(2-hydroxy-5-methyl-7-methoxy-1-naphthoyl-oxy)-(r)-12-s-glutathionyl-4,10,11,12-tetrahydroindacene
+C[N+](C)(C)CCO[P@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]	NCH	p-nitrophenyl-phosphocholine
+CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5CC	NCI	3,6-bis{3-[(2r)-(2-ethylpiperidino)]propionamido}acridine
+C[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5C	NCJ	3,6-bis{3-[(2r)-2-methylpiperidino)]propionamido}acridine
+CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CCN5CCC(CC5)C	NCK	3,6-bis[3-(4-methylpiperidino)propionamido]acridine
+C[C@@H]1CCC[N@](C1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O)CC[N@]5CCC[C@H](C5)C	NCL	3,6-bis{3-(3-[(3r)-methylpiperidino)]propionamido}acridine
+C1C[C@@H]2C[C@H]1CC2=O	NCM	norcamphor
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O	NCN	nicotinate mononucleotide
+[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3]	NCO	cobalt hexammine(iii)
+N[Pt](N)(Cl)Cl	NCP	cis-diaminodichloroplatinum
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCCCC4)NC(=O)CCN5CCCCCC5	NCQ	3,6-bis[3-(azepan-1-yl)propionamido]acridine
+Cc1ccc(c(c1)[N+](=O)[O-])O	NCR	2-nitro-p-cresol
+Cc1cc(cc2c1C=CC(=O)[C@]23[C@@H]4c5cc6c(cc5[C@H]([C@@H]4OC3=O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O)[NH2+]C)C=C[C@@]6([C@H]8COC(=O)O8)O)OC	NCS	spiro[[7-methoxy-5-methyl-1,2-dihydro-naphthalene]-3,1'-[5-hydroxy-9-[2-methylamino-2,6-dideoxygalactopyranosyl-oxy]-5-(2-oxo-[1,3]dioxolan-4-yl)-3a,5,9,9a-tetrahydro-3h-1-oxa-cyclopenta[a]-s-indacen-2-one]]
+C[N@@]1CCC[C@H]1c2cccnc2	NCT	(s)-3-(1-methylpyrrolidin-2-yl)pyridine
+CC1=CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)COP(=O)(O)O)O	NCU	[(1r,5r,7r,8s)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2h)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate
+CC1=C(N(C(=O)NC1=O)C)CC(CO)CO	NCV	n-methyl-6-(1,3-dihydroxy-isobutyl)thymine
+CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@@H]([C@H]([C@@H]2O)O)O	NCW	(1s,2r,3s,4r,5r)-2,3,4-trihydroxy-n-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide
+c1cc2c(cc1[N+](=O)[O-])c(cn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N	NCX	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole-3-carboxamide
+CN[C@@H](CS)C(=O)O	NCY	n-methylcysteine
+Cc1cc(cc2c1ccc(c2C(=O)OC3[C@H](C=C[C@H]3O)O)O)OC	NCZ	2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester
+[Nd+3]	ND	neodymium ion
+CN(C)C(=O)C=CCNCCOc1ccc(cn1)/C(=C(/CC(F)(F)F)\c2ccccc2)/c3ccc4c(c3)c([nH]n4)F	ND1	(2z)-n,n-dimethyl-4-{[2-({5-[(1z)-4,4,4-trifluoro-1-(3-fluoro-2h-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide
+CC1(CC1)Oc2c3c(ccc(n3)c4cnn(c4)C)nc(n2)Nc5cnn(c5)C6CCN(CC6)C	ND2	4-(1-methylcyclopropyl)oxy-~{n}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine
+CC1(C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)C	ND3	2,2-dimethyl-3-dehydroquinic acid
+[2H][N+]([2H])([2H])[2H]	ND4	ammonium cation with d
+c1c(cc(c(c1/C=N/OCCC(=O)O)O)Br)Br	ND5	3-[(~{e})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N)O)O)O)N	ND7	5'-o-[(s)-amino(hydroxy)phosphoryl]adenosine
+c1ccc2c(c1)cc(s2)C(=O)O	ND8	benzothiophene 2 carboxylic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)CN	NDA	3-aminomethyl-pyridinium-adenine-dinucleotide
+C[N+](C)(CCCS(=O)(=O)O)CCO	NDB	n-(2-hydroxyethyl)-n,n-dimethyl-3-sulfopropan-1-aminium
+c1c[n+](cc(c1[C@@H]2CCCCC2=O)C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	NDC	nicotinamide adenine dinucleotide cyclohexanone
+c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O	NDD	2,6-dicarboxynaphthalene
+c1c[n+](cc(c1[C@H](C(=O)COP(=O)(O)O)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NDE	adenosine 5'-(trihydrogen diphosphate) p'-5'-ester with 3-(aminocarbonyl)-4-(1-hydroxyl-2-oxo-3-phosphonooxy-propyl)-1-beta-d-ribofuranosylpyridinium inner salt
+c1ccc(cc1)C[C@H](C(=O)O)NC(=O)C(=O)O	NDF	n-(carboxycarbonyl)-d-phenylalanine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	NDG	2-acetamido-2-deoxy-alpha-d-glucopyranose
+c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O	NDH	(1r, 2s)-cis 1,2 dihydroxy-1,2-dihydronaphthalene
+CCCCNC(=S)N1C[C@@H]([C@H]([C@H]([C@H]1CO)O)O)O	NDJ	(2r,3s,4r,5s)-n-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide
+Cn1c[n+](c2c1NC(NC2O)N)C	NDM	7,9-dimethylguanine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O	NDN	2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate)
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5O)OP(=O)(O)O)O)O)O)C(=O)N	NDO	nicotinamide-(6-deamino-6-hydroxy-adenine)-dinucleotide phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N	NDP	nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
+Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP(=O)(O)O	NDQ	2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34	NDR	(14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one
+CC[N+](C)(C)CCCS(=O)(=O)[O-]	NDS	ethyl dimethyl ammonio propane sulfonate
+B1(c2ccccc2C=N[N@@]1S(=O)(=O)c3ccc(cc3)C)O	NDT	2-(toluene-4-sulfonyl)-2h-benzo[d][1,2,3]diazaborinin-1-ol
+C1[C@@H]([C@H](O[C@H]1N2CC(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O	NDU	2'-deoxy-5-nitrouridine 5'-monophosphate
+CC1([C@@H](N[C@@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C	NDV	(2s,4s)-2-[(1r)-1-{[(2r)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N	NDW	alpha-nadph
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C[C@H](C(=O)N4)C5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OP(=O)(O)O)O)O)O)C	NDX	[[(2~{r},3~{s},4~{r},5~{r})-5-[4-[(1~{s},3~{a}~{s},3~{b}~{s},5~{a}~{r},8~{s},9~{a}~{r},9~{b}~{s},11~{a}~{s})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{h}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
+c1ccc(cc1)C[C@H](C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O	NDY	(1r,4r,5r)-1,4,5-trihydroxy-3-[(1r)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid
+C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O	NDZ	(2r,3ar,6r,7r,7ar)-2-[(2s)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2h-furo[3,2-b]pyran-2-carboxylic acid
+c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl	NE1	2',3,3',4',5-pentachlorobiphenyl-4-ol
+c1cc(c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl	NE2	3,3',4',5-tetrachlorobiphenyl-4-ol
+c1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)[N+](=O)=O)c4ccc(c(c4)C(=O)O)O)O	NE5	5-[(2~{r})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{h}-pyrrol-1-yl]-2-oxidanyl-benzoic acid
+CCC/C(=C/C=C(\C)/C(=O)C1C(=O)C=C(OC1=O)[C@H](C)CCC\C=N\C(=O)OC)/C	NE6	methyl [(1e,5r)-5-{(3s)-3-[(2e,4e)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2h-pyran-6-yl}hexylidene]carbamate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O	NE7	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
+c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3	NE8	6-amino-4-(2-phenylethyl)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCN)O)O)N	NEA	5'-deoxy-5'-[2-(amino)ethylthio]adenosine
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O)O)O)[NH3+]	NEB	2-deoxy-d-streptamine
+CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	NEC	n-ethyl-5'-carboxamido adenosine
+C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)[NH3+])O)O)[NH3+]	NED	2,6-diamino-2,6-dideoxy-alpha-d-glucopyranose
+Cc1cc(cc(c1Cl)C)Oc2cccc(c2)Cn3ccnc3	NEE	1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1h-imidazole
+c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)/C=C/c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)O	NEF	nitrocefin - open form
+C[N@@](CC(=O)O)NC(=O)C[C@@H](C[C@H](CN)O)N	NEG	negamycin
+CCN	NEH	ethanamine
+CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)I)O)O	NEI	(2s,3s,4r,5r)-5-(6-amino-2-iodo-9h-purin-9-yl)-n-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O	NEJ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
+c1cc(ccc1/C=N/OCCC(=O)O)O	NEK	3-[(~{e})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid
+Cn1cc(nc1)C[C@@H](C(=O)O)N	NEM	ne2-methylated histidine
+CCN1C(=O)CCC1=O	NEN	1-ethyl-pyrrolidine-2,5-dione
+c1c(nc2c(n1)N=C(NC2=O)N)[C@H]([C@@H](CO)O)O	NEO	neopterin
+c1c(ncn1P(=O)(O)O)C[C@@H](C(=O)O)N	NEP	n1-phosphonohistidine
+CCN1C(=O)C=CC1=O	NEQ	n-ethylmaleimide
+CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O	NER	(15e)-tetracos-15-enoic acid
+C(CS(=O)(=O)O)NC(CO)(CO)CO	NES	2-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-ethanesulfonic acid
+CC[N+](CC)(CC)CC	NET	tetraethylammonium ion
+c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O)O	NEU	l-neopterin
+Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4	NEV	nevirapine
+c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl	NEW	3,3',5,5'-tetrachlorobiphenyl-4,4'-diol
+C\C(=C/C=C/C=C(\C)/C=C/C=C(C)C=C=C1C(C[C@@H](C[C@@]1(C)O)O)(C)C)\C=C\C=C(\C)/C=C/[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C	NEX	(1r,3r)-6-{(3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1s,4r,6r)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene}-1,5,5-trimethylcyclohexane-1,3-diol
+Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3	NEZ	6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC[NH2+]CCC[NH2+]CCN4C(=O)c5cccc6c5c(ccc6)C4=O	NF	n,n'-(3,7-diazanonylene)-bis-naphthalimide
+Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4)C2=O	NF1	2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione
+Cc1cc(c(cc1F)F)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	NF2	(1s)-1,4-anhydro-1-(2,4-difluoro-5-methylphenyl)-5-o-phosphono-d-ribitol
+CCOC(=O)/C=C\C(=O)O	NF3	(~{z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid
+CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O	NF4	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[(2-ethylbutyl)({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1cc(ccc1C(=O)Nc2ccc3c(c2)CCNCC3)Br	NF5	4-bromo-n-(2,3,4,5-tetrahydro-1h-3-benzazepin-7-yl)benzamide
+Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4N(C)C)C2=O	NF6	6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O	NF7	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F	NF8	(2~{r},3~{s},4~{s},5~{s})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
+c1ccc(cc1)C[C@@H](C(=O)N)N	NFA	phenylalanine amide
+C(=O)[Fe](C=O)(C#N)O[Ni]	NFB	ni-fe active center b-form
+C(=O)[Fe](C=O)(C#N)O(=O)[Ni]	NFC	ni-fe active center a-form
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc(nc5N)F)O)O)O)O)C(=O)N	NFD	nicotinamide 2-fluoro-adenine dinucleotide
+C(=O)=[Fe](=C=O)(SO)S[Ni]	NFE	ni-fe active center
+CCOc1ccc2ccccc2c1C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O	NFF	(2r,4s)-2-[(1r)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F	NFG	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-glucopyranoside
+CC(C)C[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C	NFH	n~2~-[(2r)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-n,3-dimethyl-l-valinamide
+CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O	NFJ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[(2-ethylbutyl)({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O	NFK	n'-formylkynurenine
+c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F	NFL	2-{[3-(trifluoromethyl)phenyl]amino}nicotinic acid
+Cc1ncc(c(n1)N)CNC=O	NFM	n-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide
+CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-]	NFN	6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
+C(=O)[Fe](C=O)(C#N)O[Ni]	NFO	ni-fe oxidized active center
+c1ccc(cc1)CC[C@@H](/C=C/S(=O)(=O)c2ccccc2)N	NFP	(1e,3s)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
+[H]/N=C/N[C@@H](CC(=O)O)C(=O)O	NFQ	n-[(e)-iminomethyl]-l-aspartic acid
+C(=O)[Fe](C=O)(C#N)[Ni]	NFR	ni-fe reduced active center
+S1[Fe][S]2[Fe]3[S]4[Fe]2[S@]5[Fe]4[S@@]3[Ni]51	NFS	fe(4)-ni(1)-s(5) cluster
+CC(C)C[C@@H](C(=O)NCCN)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N)C(F)(F)F	NFT	n-(2-aminoethyl)-n~2~-{(1s)-1-[4'-(aminosulfonyl)biphenyl-4-yl]-2,2,2-trifluoroethyl}-l-leucinamide
+C(=O)[Fe](C#N)(C#N)[Ni]	NFU	formyl[bis(hydrocyanato-1kappac)]ironnickel(fe-ni)
+C(#N)[Fe](C#N)(C#O)O[Ni]	NFV	ni-fe oxidized active center
+CN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	NFW	(2s)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1c2c(c(c(c1F)N3CC[C@H](C3)N)Cl)N(C=C(C2=O)C(=O)O)C4CC4	NFX	7-[(3r)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
+c1cc(oc1\C=N\NC(=O)N)[N+](=O)[O-]	NFZ	nitrofurazone
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O	NG1	2-acetamido-2-deoxy-1-o-phosphono-alpha-d-galactopyranose
+CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C	NG2	n-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)NC(=NC2=O)N	NG3	3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate)
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O	NG4	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccnc6c5nccc6	NG5	~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O	NG6	2-acetamido-2-deoxy-6-o-sulfo-beta-d-galactopyranose
+CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3cccc(c3)c4ccc5c(n4)sc(n5)NC(=O)C6CC6	NG7	3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-n-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide
+[B-]1(n2c(cc(c2Cc3n1c(cc3)CCC(=O)NCC)C)C)(F)F	NG8	3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{n}-ethyl-propanamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O	NGA	2-acetamido-2-deoxy-beta-d-galactopyranose
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O	NGB	4-nitrophenyl 6-o-beta-d-glucopyranosyl-beta-d-glucopyranoside
+C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O	NGC	n-glycolyl-alpha-neuraminic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O)C(=O)N	NGD	3-(aminocarbonyl)-1-[(2r,3r,4s,5r)-5-({[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihyd roxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2- yl]pyridinium
+C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O	NGE	n-glycolyl-beta-neuraminic acid
+C([C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O	NGF	3,5-dideoxy-5-[(hydroxyacetyl)amino]-d-glycero-d-galacto-non-2-ulosonic acid
+CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC	NGH	n-isobutyl-n-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid
+CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O	NGI	2-[p-(2-carboxyethyl)phenylethyl-amino]-5'-n-ethylcarboxamido adenosine
+CCC1=Cc2c(cccc2N)C(=O)N1	NGJ	5-amino-3-ethylisoquinolin-1(2h)-one
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)OS(=O)(=O)O)O	NGK	2-acetamido-2-deoxy-4-o-sulfo-alpha-d-galactopyranose
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O	NGL	acetylgalactosamine-4-sulfate
+C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)N(C)C)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC	NGM	nogalamycin
+[NH4+]	NGN	nitrogen
+CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO)O)O	NGO	2-methyl-4,5-dihydro-(1,2-dideoxy-alpha-d-glucopyranoso)[2,1-d]-1,3-oxazole
+C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](C3=CC4C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[NH+](C)C)O)O)C(=O)C4=C(C23)O)C(=O)OC)(C)O)OC)(C)OC)OC	NGP	nogalamycin (protonated form)
+[H]/N=C(\N)/N[C@@H](CCC(=O)O)C(=O)O	NGQ	n-carbamimidoyl-l-glutamic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	NGR	3-o-alpha-d-glucopyranosyl-alpha-d-glucopyranose
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O	NGS	2-acetamido-2-deoxy-6-o-sulfo-beta-d-glucopyranose
+CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	NGT	3ar,5r,6s,7r,7ar-5-hydroxymethyl-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]thiazole-6,7-diol
+C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[N@@](C)CO)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC	NGU	u-58872, hydroxy derivative of nogalamycin
+CC1=C(c2cc3c(c(c2C(=O)C1)O)C(=O)c4c(cccc4O)C3=O)C(=O)OC	NGV	methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate
+C[C@H]1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	NGW	(2s,3ar,5r,6s,7r,7ar)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1h-pyrano[3,2-d][1,3]thiazole-6,7-diol
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O	NGY	2-acetamido-2-deoxy-6-o-sulfo-alpha-d-glucopyranose
+CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1O)CO)O)O	NGZ	2-acetamido-2-deoxy-alpha-l-glucopyranose
+[NH]	NH	amino substitution group
+Cc1cc(c(cc1N)C(C)(C)C)SC2=C(C[C@@](OC2=O)(CCc3ccc(cc3)O)C4CCCC4)O	NH1	3-(4-amino-2-tert-butyl-5-methyl-phenylsulfanyl)-6-cyclopentyl-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one
+[NH2]	NH2	amino group
+N	NH3	ammonia
+[NH4+]	NH4	ammonium ion
+c1cc(c(cc1CCNCCC(=O)N(CCNCCc2ccc(c3c2OCC(=O)N3)O)C4CCCCC4)Cl)Cl	NH5	n-cyclohexyl-n~3~-[2-(3,4-dichlorophenyl)ethyl]-n-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide
+c1ccc(cc1)CNS(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4	NH6	~{n}1-[(4-chlorophenyl)methyl]-~{n}1-cyclopentyl-~{n}4-(phenylmethyl)benzene-1,4-disulfonamide
+Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3cc4cc(cc(c4o3)c5ccccc5)C(=O)NN6CCOCC6)O	NH7	2-[(s)-(4-chlorophenyl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]-n-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide
+Cn1cncc1[C@@](c2ccc(cc2)C#N)(c3cc4cc(cc(c4o3)c5cccc(c5)C#N)[N+](=O)[O-])O	NH8	3-{2-[(s)-(4-cyanophenyl)(hydroxy)(1-methyl-1h-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N[C@H](C)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O	NH9	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3r)-4-({3-[(2-{[(1s)-1-{[(2r,3s,4s,5r,6r)-4,5-dihydroxy-6-{[(r)-hydroxy{[(r)-hydroxy{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)oxolan-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}-2-methyloxan-3-yl]amino}ethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
+CN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c2ccc(s2)c3ccccn3	NHB	n-hydroxy-4-(methyl{[5-(2-pyridinyl)-2-thienyl]sulfonyl}amino)benzamide
+C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O	NHC	(1r,2s,3r,4s)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5O)O)O)O)O)C(=O)N	NHD	nicotinamide purin-6-ol-dinucleotide
+C1CCC(CC1)NCCS(=O)(=O)O	NHE	2-[n-cyclohexylamino]ethane sulfonic acid
+C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O	NHF	1,5-anhydro-d-fructose
+C[C@@]12CCN[C@@H]1Nc3c2cc(cc3)O	NHG	bis-noreseroline
+C1CC(=NN=C(N)N)CCC1=NN=C(N)N	NHH	n'-{4-[2-(diaminomethylidene)hydrazono]cyclohexyliden}aminomethanehydrazonamide
+c1cc(ccc1C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O	NHI	4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid
+c1cc(cc(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N)C(F)(F)F	NHJ	4-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide
+COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO	NHK	n-hydroxy-n~2~-(2-hydroxyethyl)-n~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
+c1ccc2cc(ccc2c1)C[C@@H](C[C@H](C(=O)O)N)C(=O)O	NHL	(4s)-4-(2-naphthylmethyl)-d-glutamic acid
+CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	NHM	s-(2-oxo)pentadecylcoa
+CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N(C)C)NC(=O)[C@@H]2CC3CN2C(=O)[C@@H](NC(=O)CCc4cccc(c4)OCCO3)C5CCCCC5	NHN	(6r,8s,11s)-11-cyclohexyl-n-(1-{[(2-{[(1s)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamide
+c1c[n+](cc(c1[C@@H](C(=O)C[C@@H](C(=O)O)N)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	NHO	nicotinamide-adenine-dinucleotide-5-hydroxy-4-oxonorvaline
+c1ccc(c(c1)N)SCCCCP(=O)(O)O	NHP	4-(2-aminophenylthio)-butylphosphonic acid
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCNCCCCNCCCN)O	NHQ	(3r)-27-amino-3-hydroxy-2,2-dimethyl-4,8,14-trioxo-12-thia-5,9,15,19,24-pentaazaheptacos-1-yl [(2s,3r,4s,5s)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+c1cc(ccc1[C@@H](Cc2ccc3c(c2)c(nc(n3)N)O)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	NHR	2-{4-[2-(2-amino-4-hydroxy-quinazolin-6-yl)-1-carboxy-ethyl]-benzoylamino}-pentanedioic acid
+c1cc(ccc1[C@H](Cc2ccc3c(c2)C(=O)NC(=N3)N)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O	NHS	10-formyl-5,8,10-trideazafolic acid
+CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O	NHT	(3ar,5r,6s,7r,7ar)-2-(ethylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+c1ccc(c(c1)C(=O)N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N	NHU	2-({2-[(4-carbamoylphenyl)amino]pyrimidin-4-yl}amino)benzamide
+c1ccc(cc1)NCc2c[n+]3c([nH]2)[C@H]([C@H]([C@@H]([C@H]3CO)O)O)O	NHV	(5r,6r,7s,8r)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium
+CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	NHW	2-oxopentadecyl-coa
+C[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC(C)C)CC(=O)NO	NHX	n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-naphthalen-2-yl-l-alanyl-l-alaninamide
+C(=O)(N)NO	NHY	n-hydroxyurea
+[Ni+2]	NI	nickel (ii) ion
+CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)S(=O)(=O)N3CCN(CC3)C	NI0	5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3h)-one
+[OH2][Ni+2]	NI1	nickel ion, 1 water coordinated
+[OH2][Ni+2][OH2]	NI2	nickel (ii) ion, 2 waters coordinated
+[OH2][Ni+2]([OH2])[OH2]	NI3	nickel (ii) ion, 3 waters coordinated
+CCCOc1ccc(cc1C2=NC3=C(CCC3)C(=O)N2)S(=O)(=O)N4CCN(CC4)C	NI5	2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4h-cyclopenta[d]pyrimidin-4-one
+c1cc(cc(c1)O)CN2[C@H]3CNC[C@@H]3N(C(=O)C2=O)Cc4cccc(c4)O	NI7	(4as,7as)-1,4-bis(3-hydroxybenzyl)hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione
+c1cc(cc(c1)CO)CN2[C@H]3CNC[C@@H]3N(C(=O)C2=O)Cc4cccc(c4)CO	NI8	(4as,7as)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1h-pyrrolo[3,4-b]pyrazine-2,3-dione
+c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F	NI9	3-fluoro-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-]	NIA	((2r,3s,4r,5r)-5-(5-amino-4-nitro-1h-imidazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
+C([C@@H]([C@H](C(=O)O)O)[N+](=O)[O-])C(=O)O	NIC	nitroisocitric acid
+c1cc2c(c(c1)[N+](=O)[O-])C=CC2=O	NID	4-nitro-inden-1-one
+CC[N+](=O)[O-]	NIE	nitroethane
+CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3	NIF	2-ethyl-7-piperazin-1-yl-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
+[H]/N=C\N[C@@H](CCC(=O)O)C(=O)O	NIG	n-(iminomethyl)-l-glutamic acid
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO	NIH	2-{[3,5-bis(trifluoromethyl)benzyl]amino}-n-hydroxy-6-oxo-1,6-dihydropyrimidine-5-carboxamide
+CN(C)CCCN1C(=O)c2cc(c3c4c2c(c(cc4C(=O)N(C3=O)CCCN(C)C)NCCCO)C1=O)NCCCO	NII	2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
+[OH2][Ni+2]([OH2])([OH2])([OH2])[OH2]	NIK	pentaaquanickel
+Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F	NIL	nilotinib
+CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]	NIM	4-nitro-2-phenoxymethanesulfonanilide
+c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]	NIN	dinitrophenylene
+c1cc(cnc1)C(=O)O	NIO	nicotinic acid
+c1c(cc(c(c1[N+](=O)[O-])O)I)CC(=O)NCCCCCC(=O)[O-]	NIP	4-hydroxy-5-iodo-3-nitrophenylacetyl-epsilon-aminocaproic acid anion
+CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N	NIQ	6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1h,3h)-dione
+C[C@@H]1[C@H]([C@H](C(O1)N2CC=CC(C2)C(=O)N)O)O	NIR	3-(aminocarbonyl)-1-[(3r,4s,5r)-3,4-dihydroxy-5-methyltetrahydro-2-furanyl]pyridinium
+CC(C)[N+](=O)[O-]	NIS	2-nitropropane
+c1cc(ccc1N)[N+](=O)[O-]	NIT	4-nitroaniline
+CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCC3)OC2=O)O	NIU	6,7,8,9-tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[b]pyran-2-one
+Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4	NIV	nevirapine
+Cc1c(c(c(c(n1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC	NIW	2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
+CCN1C=C(C(=O)c2c1nc(cc2)C)C(=O)O	NIX	nalidixic acid
+c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O	NIY	meta-nitro-tyrosine
+c1cnccc1C(=O)NN	NIZ	pyridine-4-carbohydrazide
+CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O	NJ1	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6cnccc6n5	NJ2	~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide
+C[C@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O	NJ4	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({4-[(1r)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CCCC(=O)NCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	NJ5	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{s},6~{r})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O	NJ7	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+CCCc1ccc(c(c1)O)Oc2ccc(cc2Cl)C#N	NJ8	3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile
+C[C@@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O	NJA	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[({4-[(1s)-1-hydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3Cl)C4CC(C4)NC(=O)c5ccnc6c5nccc6	NJB	~{n}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
+COc1nc(nc(n1)Nc2ccc3c(c2)cn[nH]3)NCCc4c[nH]c5c4cccc5	NJD	n-(1h-indazol-5-yl)-n'-[2-(1h-indol-3-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O	NJG	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-4-{({4-[(1r)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2s)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
+c1ccc(c(c1)n2c(nnc2C34CC(C3)(C4)NC(=O)c5ccccn5)c6ccncn6)Cl	NJH	~{n}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
+CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O	NJJ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({4-[(1s)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5ccc6c(n5)cccn6	NJK	~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	NJM	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3)C4CC(C4)NC(=O)c5ccnc6c5nccc6	NJN	~{n}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
+c1c(c[n+](cc1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N	NJP	5-hydroxy-nicotinamide-adenine-dinucleotide phosphate
+c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O	NJQ	3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid
+C/C(=C/C(=O)SCCN[C@H](CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O)/C(=O)O	NJS	itaconyl coenzyme a
+CCCN1c2cccnc2Nc3cc(ccc3C1=O)Cl	NJT	9-chloranyl-5-propyl-11~{h}-pyrido[2,3-b][1,4]benzodiazepin-6-one
+Cc1cc(c(cc1n2cc(nc2)C3CC3)C(=O)Nc4cccc(n4)c5nncn5C(C)C)F	NJV	5-(4-cyclopropyl-1h-imidazol-1-yl)-2-fluoro-4-methyl-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide
+c1ccc(cc1)/C(=C/2\[C@H](N(C(=O)C2=O)c3ccc(c(c3)C(=O)O)O)c4ccc(cc4)[N+](=O)[O-])/N	NJW	5-[(2~{s},3~{r})-3-[(~{r})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid
+Cc1c(ccc2c1C(=O)N(C(=O)N2C)CC#C[Si](C)(C)C)C(=O)C3=C(CCCC3=O)O	NJX	1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione
+CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C	NJY	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+[H]/N=C(\SCc1cc(cc(c1)CS/C(=N/[H])/N)Br)/N	NJZ	[3-bromanyl-5-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate
+c1ccc(c(c1)C=O)O	NK	salicylaldehyde
+Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5	NK0	3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-n-cyclopropyl-4-methylbenzamide
+C1C[C@@H]([C@H]2[C@@H]([C@@H](C[S@+]2C1)O)O)O	NK1	(1r,5s,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-5,7,8-triol
+C1CC[S@@+]2C[C@H]([C@H]([C@@H]2C1)O)O	NK2	(1r,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-7,8-diol
+CCCCCCCCCCCCCCCCC[C@H]1CN([C@H](C(=O)N([C@@H]1C(=O)O)C)[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CN)O)O)C	NK4	(5s)-5'-o-(5-amino-5-deoxy-beta-d-ribofuranosyl)-5'-c-[(2s,5s,6s)-5-carboxy-6-heptadecyl-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]uridine
+c1ccc(cc1)n2cc(nn2)C(=O)NO	NK5	~{n}-oxidanyl-1-phenyl-1,2,3-triazole-4-carboxamide
+c1cc(ccc1CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)C(F)(F)F	NK7	4-{[4-(trifluoromethyl)benzyl][(3s,4s)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide
+c1cc(ccc1CN[C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)C(=O)N	NK8	4-({(3s,4s)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide
+c1cc(ccc1CN([C@H]2CNC[C@@H]2NCc3cc(cc(c3)O)O)S(=O)(=O)c4ccc(cc4)C(=O)N)C(F)(F)F	NK9	4-({(3s,4s)-4-[(3,5-dihydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C	NKA	(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl {(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+c1c2c(c(c(c1Br)Br)Br)[nH]nn2	NKB	5,6,7-tris(bromanyl)-1~{h}-benzotriazole
+C[C@@H]([C@@H](C(=O)N/C=C\1/[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)NC(=O)[C@H](CCSC)NC(=O)N[C@@H](Cc3cccc(c3)O)C(=O)O)N(C)C(=O)[C@H](Cc4cccc(c4)O)N	NKD	(2~{s})-2-[[(2~{s})-1-[[(2~{s},3~{s})-3-[[(2~{s})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{z})-[(3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
+c1cc(c2c(c1Br)[nH]nn2)Br	NKE	4,7-bis(bromanyl)-1~{h}-benzotriazole
+c1ccc2c(c1)cccc2c3ccc(c(n3)C(=O)NCC(=O)O)O	NKG	n-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine
+COc1cc(c(cc1Cl)OC)NC(=O)c2cccc3c2nccc3	NKH	n-(4-chloro-2,5-dimethoxyphenyl)quinoline-8-carboxamide
+c1ccc2c(c1)C(=O)N[C@H](N2)c3ccc(cc3)Cl	NKI	(2s)-2-(4-chlorophenyl)-2,3-dihydro-1h-quinazolin-4-one
+C[C@H]1CCCOc2ccccc2C(=O)Nc3cccc(n3)-c4n1cnn4	NKJ	(19s)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9h)-one
+[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)c1ccc2ccccc2c1	NKK	n~2~-(naphthalen-2-ylcarbonyl)-l-lysyl-n-[(1s)-4-carbamimidamido-1-formylbutyl]-l-lysinamide
+CO[C@H]1[C@H]([C@@H](O[C@@H]1[C@H](C(=O)N)O[C@@H]2[C@H]([C@H](C=C(O2)C(=O)N[C@H]3CCCCNC3=O)O)O)N4C=CC(=O)NC4=O)O	NKM	(2~{s},3~{s},4~{s})-2-[(1~{r})-2-azanyl-1-[(2~{s},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-3,4-bis(oxidanyl)-~{n}-[(3~{s})-2-oxidanylideneazepan-3-yl]-3,4-dihydro-2~{h}-pyran-6-carboxamide
+CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	NKN	(2r)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	NKO	(2r)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	NKP	(2r)-2-hydroxy-3-(phosphonooxy)propyl (9e)-octadec-9-enoate
+CC/C=C\C/C=C\C/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O	NKQ	(2r)-2-hydroxy-3-(phosphonooxy)propyl (9e,12z,15z)-octadeca-9,12,15-trienoate
+CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C/C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)O	NKR	(2r)-2-hydroxy-3-(phosphonooxy)propyl (4z,7e,10e,13z,16z,19z)-docosa-4,7,10,13,16,19-hexaenoate
+Cc1ccc(cc1)OC(=O)N(Cc2cccc(c2)OCc3c(oc(n3)c4ccc(cc4)Cl)C)CC(=O)O	NKS	n-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-n-[(4-methylphenoxy)carbonyl]glycine
+c1cc(c(c2c1nn[nH]2)Br)Br	NKT	6,7-bis(bromanyl)-1~{h}-benzotriazole
+CC(C)C(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	NKV	n-(2-methylpropanoyl)adenosine
+c1cc2c(cc1Br)[nH]nn2	NKW	6-bromanyl-1~{h}-benzotriazole
+CCN([C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C)C(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]	NKX	(2s)-2,3-bis(nitrooxy)propyl ethyl[(4s,6s)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran-4-yl]carbamate
+CNC(=O)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)OC)N	NKY	3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1h-1,2,4-triazol-3-yl]amino}-n-methylbenzamide
+c1cc2c(c(c1)Br)[nH]nn2	NKZ	7-bromanyl-1~{h}-benzotriazole
+c1c(cc(c2c1nn[nH]2)Br)Br	NL2	5,7-bis(bromanyl)-1~{h}-benzotriazole
+c1cc2cc(sc2c(c1)Cl)c3ccc4ccn(c4c3)Cc5cc([nH]n5)C(=O)O	NL3	3-{[6-(7-chloro-1-benzothiophen-2-yl)-1h-indol-1-yl]methyl}-1h-pyrazole-5-carboxylic acid
+Cc1c(cn(n1)C)c2[nH]c3c(c(cnc3n2)Cl)c4cnn(c4)Cc5cccc(c5)C(=O)N(C)C	NL4	3-((4-(6-chloro-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridin-7-yl)-1h-pyrazol-1-yl)methyl)-n,n-dimethylbenzamide
+CC(C)OCc1c(nn[nH]1)CCS(=O)(=O)c2ccccc2	NL5	4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{h}-1,2,3-triazole
+COc1cc(cnc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O	NL7	4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
+CN(c1ccc(cc1)C(=O)N)C(=O)c2ccc(cc2O)O	NL8	~{n}-(4-aminocarbonylphenyl)-~{n}-methyl-2,4-bis(oxidanyl)benzamide
+B(c1cnn(c1)c2cccc(c2)Cl)(O)O	NL9	[1-(3-chlorophenyl)-1h-pyrazol-4-yl]boronic acid
+c1ccc2c(c1)cccc2CC(=O)O	NLA	naphthalen-1-yl-acetic acid
+c1ccc(cc1)COCCCC[C@@H](C(=O)O)N	NLB	6-(benzyloxy)-l-norleucine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O	NLC	2-(acetylamino)-2-deoxy-4-o-beta-d-galactopyranosyl-alpha-d-glucopyranose
+CCNC(=O)CCC(=O)OC[C@@H]1CCN([C@H]1c2cccnc2)C	NLD	nicotine-11-yl-methyl-(4-ethylamino-4-oxo)-butanoate
+CCCC[C@@H](C(=O)O)N	NLE	norleucine
+CC(=O)N[C@@H](CCC(=O)O)C(=O)O	NLG	n-acetyl-l-glutamate
+CCCC[C@H](CC([C@H](CCCC)N)(O)O)C(=O)O	NLH	(2r,5s)-5-amino-2-butyl-4,4-dihydroxynonanoic acid
+[H]/N=C(\N)/NOCCNC(=O)CN1C(=CN=C(C1=O)NCC(c2ccccc2)(F)F)C	NLI	n-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2h)-yl}acetamide
+COc1c(cccn1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O	NLJ	4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
+CCCC[C@H](CC(=O)[C@H](CCCC)N)C(=O)O	NLK	(2r,5s)-5-amino-2-butyl-4-oxononanoic acid
+c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O)Cl	NLM	4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
+CCCC[C@@H](C(=O)N)N	NLN	norleucine amide
+CCCC[C@@H](C(=O)OC)N	NLO	o-methyl-l-norleucine
+CCCC[C@H](N)P(=O)(O)O	NLP	(1-amino-pentyl)-phosphonic acid
+CC(=O)N[C@@H](CCC(=O)N)C(=O)O	NLQ	n~2~-acetyl-l-glutamine
+c1cc(nc(c1)F)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O	NLS	4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
+CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O	NLT	n-dodecanoyl-l-tyrosine
+c1cc(nc(c1)Cl)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O	NLV	4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N)N	NLW	l-leucinamide
+C[N@@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O)CC=C	NLX	(5a,17r)-4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxo-17-(2-propenyl)-morphinanium
+C(CCNCC(=O)O)CN	NLY	n-(4-aminobutyl)glycine
+c1cc(c(cc1O)O)C(=O)N	NLZ	2,4-bis(oxidanyl)benzamide
+CNC(=O)c1cccc(c1)C[N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5	NM1	3-(7-benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis-phenoxymethyl-1l6-[1,2,7]thiadiazepan-2-ylmethyl)-n-methyl-benzamide
+C[N+](C)(C)CCCC(=O)O	NM2	3-carboxy-n,n,n-trimethylpropan-1-aminium
+CC[N+](C)(C)CCCC(=O)O	NM3	ethyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium
+COc1cc(c(cc1c2cn3ccc(cc3n2)N4CC[C@@H](C4)NCc5ccncc5)Cl)OC	NM4	(3s)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-n-[(pyridin-4-yl)methyl]pyrrolidin-3-amine
+C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	NM6	2-acetamido-3-o-[(2r)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-d-glucopyranose
+c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F	NM7	2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
+CCN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3cccc4c3ccc(c4)c5ccc(o5)/C=C\6/C(=O)NC(=O)S6)C(F)(F)F	NM8	6-{5-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-n-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide
+C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C	NM9	methyl 2-acetamido-3-o-[(2r)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-d-glucopyranoside
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(C)C(=O)O)O	NMA	n-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-2-methylalanine
+c1ccc(cc1)C[N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5	NMB	2,7-dibenzyl-1,1-dioxo-3,6-bis-phenoxymethyl-[1,2,7]thiadiazepane-4,5-diol
+C1CC1CNCC(=O)O	NMC	n-cyclopropylmethyl glycine
+COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4NCc5cccc6c5cccc6)CO)O	NMD	n-naphthalen-1-ylmethyl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine
+CN	NME	methylamine
+CC1=C(N(C(=O)NC1=O)C)C[C@H](CO)CF	NMF	6-[(2r)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione
+[H]/N=C(/N)\NCC(=O)O	NMG	guanidino acetate
+CCCCC[C@@H](C)NC=O	NMH	(r)-n-(1-methyl-hexyl)-formamide
+Cn1cc(c2c1cccc2)CCC(=O)O	NMI	3-(1-methyl-1h-indol-3-yl)propanoic acid
+c1c(nc(cn1)Cl)C(=O)O	NMJ	6-chloropyrazine-2-carboxylic acid
+CN[C@@H](CCCC[NH3+])C(=O)O	NMK	n-methyl lysine
+CC(=O)NC	NML	n-methylacetamide
+[H]/N=C(/NC)\NCCC[C@@H](C(=O)O)N	NMM	(2s)-2-amino-5-[(n-methylcarbamimidoyl)amino]pentanoic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N	NMN	beta-nicotinamide ribose monophosphate
+[N]=O	NMO	nitrogen monoxide
+C[C@@H](C(=O)NCCCS)NC(=O)CNC(=O)[C@@H](C1CCCCC1)NC(=N)N	NMP	2-[2-(2-cyclohexyl-2-guanidino-acetylamino)-acetylamino]-n-(3-mercapto-propyl)-propionamide
+[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCC[N@@](C)c1ccccc1[N+](=O)[O-])(F)(F)F	NMQ	n-methyl o-nitrophenyl aminoethyldiphosphate beryllium trifluoride
+B(=O)(c1cc(cc(c1)Cl)Cl)O	NMR	[3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(=O)NC	NMS	1-(o2-(2-methylamino-2-oxo-ethyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC(NC)O	NMT	1-(o2-(methylcarbamoyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymine
+CNC(=O)N	NMU	n-methylurea
+COc1cc2c(cc1OC)[C@H](N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4	NMW	[2,4-bis(oxidanyl)phenyl]-[(1~{s})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{h}-isoquinolin-2-yl]methanone
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCC[N+](=O)[O-])O	NMX	nitromethyldethia coenzyme a
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N	NMY	neomycin
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)CN)O)O)N)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CN)F)O)N)N	NMZ	(2s)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-3-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide
+CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2)S(=O)(=O)C)Oc4ccc(cc4Cl)F	NN1	2-(2-chloro-4-fluorophenoxy)-2-methyl-n-[(1r,2s,3s,5s,7s)-5-(methylsulfonyl)-2-adamantyl]propanamide
+c1ccc2c(c1)N=C(NS2(=O)=O)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O	NN2	1-(2-cyclopropylethyl)-3-(1,1-dioxido-2h-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxyquinolin-2(1h)-one
+CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C	NN3	3-{isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-phenylthiophene-2-carboxylic acid
+CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2)C(=O)N)Oc4ccc(cc4)OC	NN4	(1s,3r,4s,5s,7s)-4-{[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino}adamantane-1-carboxamide
+Cc1cc(cc(c1O)C)c2ccc3nc(nn3c2)Nc4ccc(cc4)C(=O)N5CCOCC5	NN5	[4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone
+Cc1cc(c(c(c1)C)S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3c4ccc(cc4)F)C	NN7	n-[(2s)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide
+COc1cc2c(cc1OC)[C@@H](N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4	NN8	[2,4-bis(oxidanyl)phenyl]-[(1~{r})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{h}-isoquinolin-2-yl]methanone
+CCCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C	NNA	(1r,2s,5s)-3-[n-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-l-valyl]-n-{(1s)-1-[(1r)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
+c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Br	NNB	o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate
+c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)Cl	NNC	o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate
+CCCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O	NND	(2r,3r,4r,5s)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)NCCCCNC(=O)COc2ccc(c(c2Cl)Cl)C(=O)C(=C)CC	NNE	n,n'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide}
+CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F	NNF	2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3h)-one
+C[P@@](=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O	NNG	2-deoxy-2-{[(s)-hydroxy(methyl)phosphoryl]amino}-6-o-phosphono-alpha-d-glucopyranose
+[H]/N=C(/NCC[C@@H](C(=O)O)N)\NO	NNH	nor-n-omega-hydroxy-l-arginine
+c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc3)I	NNI	o-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate
+C[n+]1cccc(c1)CN	NNJ	3-(aminomethyl)-1-methylpyridinium
+C[n+]1ccc(cc1)CN	NNK	4-(aminomethyl)-1-methylpyridinium
+Cc1cc(c2nncn2n1)NCCc3ccc(cc3)Cl	NNL	n-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine
+C[C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O	NNM	(3r)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate
+CC[C@H](CO)Nc1nc2c(cnn2c(n1)NCc3ccccc3)C(C)C	NNN	(2r)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol
+c1cc([n+](cc1C(=O)O)[O-])O	NNO	6-hydroxyisonicotinic acid n-oxide
+CCCCCCCCCC1=CC(=O)c2ccccc2N1	NNQ	2-nonylquinolin-4(1h)-one
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	NNR	nicotinamide riboside
+CC(=O)Nc1ccc(cc1)O	NNS	4-acetyl-aminophenol
+C[n+]1ccc(c(c1)CN)Cl	NNT	3-(aminomethyl)-4-chloro-1-methylpyridinium
+c1cncc(c1Cl)CN	NNU	1-(4-chloropyridin-3-yl)methanamine
+C1C=CC2=NC3=C(C=CC[C@H]3C(=O)O)NC2[C@@H]1C(=O)O	NNV	(1r,5as,6r)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid
+c1cnccc1CN	NNW	1-(pyridin-4-yl)methanamine
+C[n+]1ccc(cc1CN)Cl	NNX	2-(aminomethyl)-4-chloro-1-methylpyridinium
+c1cnc(cc1Cl)CN	NNY	1-(4-chloropyridin-2-yl)methanamine
+C[n+]1ccccc1CN	NNZ	2-(aminomethyl)-1-methylpyridinium
+[N]=O	NO	nitric oxide
+Cc1c2c(cccc2[nH]c1C(=O)O)CO	NO1	4-(hydroxymethyl)-3-methyl-1h-indole-2-carboxylic acid
+N(=O)[O-]	NO2	nitrite ion
+[N+](=O)([O-])[O-]	NO3	nitrate ion
+c1ccc(cc1)CNCCC2=CCCCC2	NO4	n-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine
+CC(C)[C@@H](C(=O)O)NS(=O)(=O)N	NO5	(2~{s})-3-methyl-2-(sulfamoylamino)butanoic acid
+C#CCNc1c2c(ncn1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O	NO7	9-{5-o-[(s)-hydroxy(phosphonooxy)phosphoryl]-alpha-d-ribofuranosyl}-n-(prop-2-yn-1-yl)-9h-purin-6-amine
+C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C	NO8	(2~{s})-~{n}-[2-[[(2~{s})-1-[[(2~{s},3~{r})-3-[(2~{s},3~{r},4~{r},5~{r},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{s})-1-[(2~{s})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{s})-2-azanylpropanoyl]pyrrolidine-2-carboxamide
+Cc1c(c(c(o1)C)S(=O)(=O)N)C(=O)O	NO9	2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid
+c1ccc2c(c1)cccc2OCC(=O)O	NOA	naphthyloxyacetic acid
+[Li]OB(O)OB(O)O	NOB	(dihydroxyboranyloxy-hydroxy-boranyl)oxylithium
+c1nc(c2c(n1)n(cn2)[C@@H]3CC([C@@H]([C@H]3O)O)CO)N	NOC	3-(6-amino-purin-9-yl)-5-hydroxymethyl-cyclopentane-1,2-diol
+C[C@H]1[C@H](C(C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)NCCO)O	NOD	n-ethylhydroxy-doxorubicin
+CCN=O	NOE	nitrosoethane
+CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34	NOG	13-beta-ethyl-17-alpha-ethynyl-17-beta-hydroxygon-4-en-3-one
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NO)COP(=O)(O)O)O	NOH	2'-deoxy-n-hydroxycytidine 5'-(dihydrogen phosphate)
+C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O	NOJ	1-deoxynojirimycin
+CC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO	NOK	2-acetamido-1,2-dideoxynojirmycin
+C[C@H]([C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C	NOL	n-[(benzyloxy)carbonyl]-o-(tert-butyl)-l-threonyl-3-cyclohexyl-n-[(1s)-2-hydroxy-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}ethyl]-l-alaninamide
+C[C@H]1C2=C(C3[C@@H](O1)CC(=O)O3)C(=O)c4cccc(c4C2=O)O	NOM	7-hydroxy-5-methyl-3,3a,5,11b-tetrahydro-1,4-dioxa-cyclopenta[a]anthracene-2,6,11-trione
+CCCCCCCCC(=O)OC	NON	methyl nonanoate (ester)
+CCCCCCCC(=O)NC1=CC(=O)CCC1	NOO	n-(3-oxocyclohex-1-en-1-yl)octanamide
+Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O	NOP	pyridoxal-5'-phosphate-n-oxide
+COc1ccc(cc1)S(=O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCCN	NOQ	(1r,2r)-n-(2-aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide
+CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)N)O	NOR	cyclohexyl-norstatine
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O	NOS	inosine
+C(CCN=[N+]=[N-])C[C@@H](C(=O)O)N	NOT	6-azido-l-norleucine
+Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O	NOV	novobiocin
+[H]/N=C\CNC(=O)[C@H](Cc1cccc(c1)C)NC(=O)c2cc(nn2C)C(C)(C)C	NOW	nalpha-[(3-tert-butyl-1-methyl-1h-pyrazol-5-yl)carbonyl]-n-[(2z)-2-iminoethyl]-3-methyl-l-phenylalaninamide
+c1cc(ccc1CC[N+]2(CCCCC2)[O-])NC(=O)CCCC(=O)O	NOX	n-(para-glutaramidophenyl-ethyl)-piperidinium-n-oxide
+C1[C@@H]([C@H]([C@@H]([C@H](N1)O)O)O)CO	NOY	(2r,3s,4r,5r)-5-(hydroxymethyl)piperidine-2,3,4-triol
+C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO	NOZ	(2s,3s,4r,5r)-5-(hydroxymethyl)piperidine-2,3,4-triol
+c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)[O-])O	NP	4-hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid
+CCCNO	NP0	n-hydroxypropan-1-amine
+Cc1ccc(c(c1)[N+](=O)[O-])NCCCN	NP1	n-(3-aminopropyl)-4-methyl-2-nitrobenzenamine
+c1ccc(c(c1)NCCCN)[N+](=O)[O-]	NP2	n-(3-aminopropyl)-2-nitrobenzenamine
+c1cn(cc1[N+](=O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	NP3	1-[2-deoxy-ribofuranosyl]-1h-[3-nitro-pyrrol]-5'-phosphate
+c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C/CCOC2=O)O	NP4	(5z)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3h,11h)-dione
+c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C\CCOC2=O)O	NP5	(5e)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3h,11h)-dione
+CCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	NP6	[[(3r,4r,5s,6r)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] n-phenylcarbamate
+CN1CCN(CC1)c2ccc(cc2NC(=O)c3ccccc3Cl)[N+](=O)[O-]	NP7	2-chloro-n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
+CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4cc(cnc4)OC	NP8	5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
+c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O	NPA	2-(4-hydroxy-3-nitrophenyl)acetic acid
+B(c1cccc(c1)[N+](=O)[O-])(O)O	NPB	3-nitrophenylboronic acid
+c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)[O-])O	NPC	4-hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid anion
+C[C@@H](Cc1cccc2c1cccc2)C=O	NPD	2-methyl-3-naphthalen-1-yl-propionaldehyde
+c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCCC(=O)O)[O-]	NPE	5-(para-nitrophenyl phosphonate)-pentanoic acid
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O)O	NPF	2-nitrophenyl beta-d-fucopyranoside
+c1ccc(cc1)[C@H](C(=O)O)NC(=O)CCC(=O)O	NPG	n-succinyl phenylglycine
+c1cc2cc(c3cccnc3c2nc1)NC(=O)CSC[C@@H](C(=O)O)N	NPH	cysteine-methylene-carbamoyl-1,10-phenanthroline
+C(CCC(=O)O)C[C@@H](C(=O)O)N	NPI	(2s)-2-aminoheptanedioic acid
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	NPJ	4-nitrophenyl 4-o-alpha-d-glucopyranosyl-alpha-d-galactopyranoside
+C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N3[C@H]4CS[C@@H]([C@H]4NC3=O)CCCCC(=O)O	NPK	5-[(3as,4r,6ar)-1-{[(1r)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid
+Cc1c(c(c(c[n+]1C)COP(=O)(O)O)CN)O	NPL	n-methyl-4-deoxy-4-amino-pyridoxal-5-phosphate
+c1ccnc(c1)\C=N\c2ccc(cc2)Cc3ccc(cc3)/N=C/c4ccccn4	NPM	n-[(1e)-pyridin-2-ylmethylene]-n-[4-(4-{[(1e)-pyridin-2-ylmethylene]amino}benzyl)phenyl]amine
+CCC[N+]#[C-]	NPN	n-propyl isocyanide
+c1cc(ccc1[N+](=O)[O-])O	NPO	p-nitrophenol
+CC1(CC(CC(N1[O-])(C)C)Nc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCCN)C	NPP	n-(2-amino-ethyl)-4,6-dinitro-n'-(2,2,6,6-tetramethyl-1-oxy-piperidin-4-yl)-benzene-1,3-diamine
+CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O	NPQ	n-acetyl naphthylalanine
+C1C(=NC2=C(N1)NC(=NC2=O)N)[C@@H]([C@@H](CO)O)O	NPR	2-amino-7,8-dihydro-6-(1,2,3-trihydroxypropyl)-4(1h)-pteridinone
+C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O	NPS	(2s)-2-(6-methoxynaphthalen-2-yl)propanoic acid
+CC(C)(C)CN	NPT	neopentylamine
+C[C@H]([C@@H](c1ccccc1)O)N	NPU	(1r,2r)-2-amino-1-phenylpropan-1-ol
+c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O	NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)OP(=O)(O)O)N	NPW	beta-6-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphate
+C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O	NPX	(2r)-2-(6-methoxynaphthalen-2-yl)propanoic acid
+c1ccc2ccccc2c1	NPY	naphthalene
+Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N	NPZ	1-methyl-3-naphthalen-2-yl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc2c(c1)C(=O)C=C(C2=O)O	NQ	2-hydroxynaphthoquinone
+c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F	NQ1	10-benzyl-8-fluoro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
+CC(C)(C1CCN(CC1)CCOc2cc(cc3c2COC3)c4cc(c(nc4)OC)NS(=O)(=O)C)O	NQ2	~{n}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide
+C1C[C@H](O[C@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N	NQ4	[[(2~{r},5~{s})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
+COCCS(=O)(=O)Nc1cc(cnc1OC)c2cc3c(c(c2)OC[C@H]4CN(CCO4)C5COC5)COC3	NQ5	2-methoxy-~{n}-[2-methoxy-5-[7-[[(2~{r})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide
+C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)N	NQ7	(5s)-2-amino-5-[(1r)-1-(1h-indol-3-yl)ethyl]-1,3-oxazol-4(5h)-one
+C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3CC2)C	NQ8	(5~{s},8~{s},9~{s},10~{s},13~{s},14~{s})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
+Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)NC5CC5	NQB	n-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]benzamide
+Cc1cc(cc2c1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C(=O)O)O	NQD	(2z,6e,10e)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2h-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid
+CN1c2ccc(cc2N(C1=O)C)Nc3c(cccn3)C#N	NQE	2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
+[H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CCC#N)NC(=O)[C@H](CC(=O)OCC)O	NQG	5-azanylidyne-n-[(2s)-4-ethoxy-2-hydroxy-4-oxobutanoyl]-l-norvalyl-l-arginyl-l-tryptophanamide
+c1cnc(c(c1NCC2CC2)C#N)Cl	NQH	2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CC=C)NC(=O)[C@@H](CC(=O)OCC)O	NQI	n~2~-[(2s)-2-{[(2r)-4-ethoxy-2-hydroxy-4-oxobutanoyl]amino}pent-4-enoyl]-l-arginyl-l-tryptophanamide
+Cc1cc(sc1S(=O)(=O)Nc2cc(ccc2Cl)C(F)(F)F)C(=O)N[C@H](Cc3ccccc3)C(=O)OC	NQJ	methyl n-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-d-phenylalaninate
+CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl	NQK	2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
+C(/C(=C\C(=O)O)/C(=O)O)C(=O)C(=O)O	NQM	(1e)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
+C[C@H](CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O	NQN	2-chloranyl-4-[[1-methyl-3-[(3~{r})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
+C[C@@H]1C(=O)N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)CCC=C	NQP	4-{[(3r)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O	NQQ	2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
+c1ccc2c(c1)C(=O)C=C(C2=O)SCCO	NQS	2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione
+Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C	NQT	5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
+C[C@@H]1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5CCN(CC5)C)C	NQV	4-{[(3r)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-n-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide
+C[C@@H]1CN(C[C@@H](O1)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl	NQW	5-[[5-chloranyl-2-[(2~{s},6~{r})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
+CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ccc4c(n3)N5CCCC[C@@H]5C(=O)N4C	NQY	3-methoxy-4-{[(6ar)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5h-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-n-(1-methylpiperidin-4-yl)benzamide
+C[C@@H]1CN(C[C@@H](C1(F)F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl	NQZ	5-[[2-[(3~{s},5~{r})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
+C1[C@@H]([C@H](C[NH2+]1)O)COP(=O)(O)O	NR1	(3r,4r)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium
+Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(cc2)S(=O)(=O)N	NR2	n-({[4-(aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O	NR3	(1s,2r,3s,4s)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O	NR4	(1s,2r,3s,4r)-1-{(1s)-2-[(2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
+CC1(CN(CC(O1)(C)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C	NR5	5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
+COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](CC4=O)c5cccc(c5)Cl	NR7	methyl [(5e,8s)-8-[(4s)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+CC[C@@H](CN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O	NR8	2-chloranyl-4-[[1-methyl-3-[(2~{s})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
+c1cc2cc(ccc2nc1)/C=C\3/C(=O)N=C(S3)NCc4cccs4	NR9	(5z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5h)-one
+c1c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O	NRA	norathyriol
+CC[C@@H]1[C@@H](\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@@H](C(=O)[C@H](C(=O)O1)C)C)O[C@@H]2[C@@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C	NRB	narbomycin
+C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN	NRD	(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid
+C[C@H]1CC[C@H](N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(cn3)Br	NRE	[(2~{s},5~{s})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone
+CNC1=C(C(=O)N(N=C1)c2cccc(c2)C(F)(F)F)Cl	NRF	norflurazon
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-]	NRG	n-omega-nitro-l-arginine
+c1ccc2c(c1)c3ccncc3[nH]2	NRH	norharmane
+C1[C@@H]([C@H](CN1)O)COP(=O)(O)O	NRI	phosphoric acid mono-(4-hydroxy-pyrrolidin-3-ylmethyl) ester
+COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](OC4=O)c5cccc(c5)Cl	NRJ	methyl [(5e,8s)-8-[(6r)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2h-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
+Cc1c(cnc(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F)c4cccc(c4)F	NRK	(1~{r},2~{s})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{n}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
+Cc1cc(sn1)Nc2c3ncc(n3ccn2)c4c[nH]nc4	NRM	n-(3-methylisothiazol-5-yl)-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N	NRN	(1s,2r,3s,4r)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
+CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O)[N+](=O)[O-]	NRO	3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid
+[H]/N=C(\CC(C)C)/C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O	NRP	{4-[(4-hydroxyphenyl)methylidene]-2-[(1e)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+[H]/N=C(/CCSC)\C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O	NRQ	{(4z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio)propanimidoyl]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CN(c1ccc2ccccc2c1)S(=O)(=O)c3ccc4c(c3)NC(=O)C(=O)N4	NRS	n-methyl-n-(naphthalen-2-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
+c1[nH]c2c(n1)c(nc(n2)N)OC[C@@H]3CCCO3	NRT	6-(tetrahydro-2-furanylmethoxy)-9h-purin-2-amine
+[NH3][Ru+3]([NH3])([NH3])([NH3])([NH3])[NH3]	NRU	ruthenium (iii) hexaamine ion
+CCN(CC)CCSc1nc2c(c3cc(ccc3n2C)F)nn1	NRV	n,n-diethyl-2-[(8-fluoro-5-methyl-5h-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine
+Cc1cc(on1)C(=O)N(C)Cc2cccnc2	NRW	n,3-dimethyl-n-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide
+c1cc2c([n+](ccn2c1)CC(=O)c3ccc(cc3)F)c4ccc(cc4)F	NRY	1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium
+Cc1cc(cc(c1)NC(=O)[C@@H]2CCCN2S(=O)(=O)c3ccc(cc3)OC)C	NRZ	(2~{s})-~{n}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide
+CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C	NS0	all-trans-1,2-dihydroneurosporene
+CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)/C)/C	NS1	15-trans-1,2-dihydroneurosporene
+Cc1c(ccc2c1[nH]c(n2)[C@@]3(CCCN3C(=O)c4cc(ccc4n5nccn5)OC)C)Cl	NS2	[(2~{s})-2-(6-chloranyl-7-methyl-1~{h}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone
+Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](N2)C4CCCC4	NS3	(3s)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2,4-benzothiadiazine 1,1-dioxide
+CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]	NS4	n-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
+CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)/C)/C	NS5	15-cis-1,2-dihydroneurosporene
+CN1CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N[C@H](C3)C4CCCC4	NS6	(3r)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2-benzothiazine 1,1-dioxide
+Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](C2)C4CCCC4	NS7	(3r)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2h-1,2-benzothiazine 1,1-dioxide
+c1ccc(cc1)/C=C/[N+](=O)[O-]	NS8	trans beta nitrostyrene
+CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@@H](CO)[C@@H](CO)O	NS9	(2s,3s)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol
+c1ccc(cc1)NC(=O)C(Cl)Cl	NSA	2,2-dichloro-n-phenyl-acetamide
+C[N+](C)(C)CCCS(=O)(=O)O	NSB	n,n,n-trimethyl-3-sulfopropan-1-aminium
+Cc1cc(c2cc(ccc2n1)NC(=O)Nc3ccc4c(c3)c(cc(n4)C)N)N	NSC	n,n'-bis(4-amino-2-methylquinolin-6-yl)urea
+C(CN)CNCCCN	NSD	n-(3-aminopropyl)propane-1,3-diamine
+c1cc(cc(c1)c2nc(no2)c3cccnc3)C#N	NSE	3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
+C[C@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O	NSG	(2s,3ar,5r,6r,7r,7ar)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1h-pyrano[3,2-d][1,3]thiazole-6,7-diol
+COc1ccc(cc1)c2c3ccccc3n(c2C(=O)NS(=O)(=O)c4ccccc4)Cc5cccc(c5)C(F)(F)F	NSI	3-(4-methoxyphenyl)-n-(phenylsulfonyl)-1-[3-(trifluoromethyl)benzyl]-1h-indole-2-carboxamide
+c1cc(cc(c1)O)CN2CCSCC2	NSJ	3-[(thiomorpholin-4-yl)methyl]phenol
+C(CCN)C[C@@H](C(=O)O)NC(=O)CCC(=O)O	NSK	n-succinyl lysine
+c1ccc(cc1)/N=N/c2ccc(cc2)O	NSL	4-hydroxyazobenzene
+CN=O	NSM	nitrosomethane
+CC(=[NH+][C@@H](CC(=O)[O-])C(=O)N)C(=O)N	NSN	n~2~-(2-amino-1-methyl-2-oxoethylidene)asparaginate
+Cc1ncc(c(n1)N)CN	NSP	5-(aminomethyl)-2-methylpyrimidin-4-amine
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS(=O)(=O)O)O)O)O	NSQ	4-nitrophenyl alpha-d-6-sulfoquinovoside
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)N)[NH3+])O)O)N	NSS	5'-o-[n-(l-asparaginyl)sulfamoyl]adenosine
+c1cc(cc(c1)[N+](=O)[O-])NS(=O)(=O)c2ccsc2C(=O)O	NST	3-{[(3-nitroaniline]sulfonyl}thiophene-2-carboxylic acid
+Cc1ncc(s1)CN2CCNCC2	NSV	1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine
+[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6	NSX	n~2~,n~6~-bis(biphenyl-4-ylacetyl)-l-lysyl-d-arginyl-n-(2-phenylethyl)-l-tyrosinamide
+[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6	NSY	n~2~,n~6~-bis(biphenyl-4-ylacetyl)-l-lysyl-d-arginyl-n-(2-phenylethyl)-l-phenylalaninamide
+[H]/N=C(/N)\NCCCC(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)C(CSC)NC(=O)Cc3ccc(cc3)c4ccccc4	NSZ	n-(biphenyl-4-ylacetyl)-s-methyl-l-cysteinyl-d-arginyl-n-(2-phenylethyl)-l-phenylalaninamide
+Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=N)N)NC(=O)CNC(=N)N	NT	netropsin
+COC[C@@H]1C[C@@H]([C@H](C(O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC)OC)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OC)OC)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4C(O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@H]6C(O)O)O[C@@H]7[C@H](OC[C@@H]([C@H]7OC)OS(=O)(=O)O)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)COC)OC)OC	NT1	heparin heptasaccharide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	NT2	2,3,4,6-tetra-o-sulfohexopyranose
+[H]/N=C(\N)/c1ccc(cc1)Oc2cc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N/[H])/N	NT4	n-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide
+Cc1ccc(c(c1)C(=O)N2C[C@@H](CC[C@H]2C)COc3ccc(cn3)F)c4ncccn4	NT5	[(2~{r},5~{r})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone
+Cc1cccc(c1C)NC(=O)CN2CCOCC2	NT7	n-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
+CCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O	NT8	(1-azanyl-1-phosphono-decyl)phosphonic acid
+C(C(=O)O)N(CC(=O)O)CC(=O)O	NTA	nitrilotriacetic acid
+CC(C)(C)N	NTB	tertiary-butylamine
+C(C(=O)O)[C@@](C[N+](=O)[O-])(C(=O)O)O	NTC	2-hydroxy-2-nitromethyl succinic acid
+c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O	NTD	2-{hydroxy[2-nitro-4-(trifluoromethyl)phenyl]methylene}cyclohexane-1,3-dione
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)/C=C/[N+](=O)[O-])C)CCC(=O)O	NTE	[3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(e)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~}dipro panoato(2-)]iron
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(F)(F)F)O)O)O)O	NTF	n-(trifluoroacetyl)-beta-d-glucopyranosylamine
+c1cc(ncc1N2CCCOCC2)C#N	NTG	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@H]34	NTH	succinic acid mono-(13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl) ester
+CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-]	NTI	2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate
+CCO[P@H](=O)N(C)C	NTJ	r-ethyl n,n-dimethylphosphonamidate
+CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC	NTK	2,3-di(butanoyloxy)propyl butanoate
+CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)NC(=O)C)N	NTL	n-[(2s,3r)-2-{[(1r,2s,3s,4r,6s)-6-amino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2h-pyran-3-yl]acetamide
+c1cc(c(nc1)C(=O)O)C(=O)O	NTM	quinolinic acid
+c1cnccc1C(=N)N	NTN	isonicotinamidine
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O	NTO	trisulfoamino heparin pentasaccharide
+CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]4C(=O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O	NTP	heparin pentasaccharide
+Cc1c2c(n[nH]1)NC(=O)C=C2C3CCC(CC3)NC(=O)[C@@H]4CC4(F)F	NTQ	(1~{s})-2,2-bis(fluoranyl)-~{n}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide
+c1cc(c(cc1[C@H](C(=O)O)N)O)O	NTR	meta-hydroxy beta nor-tyrosine
+c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-]	NTS	naphthalene trisulfonate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)COP(=O)(O)O)O	NTT	[(1r,5r,7r,8s)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate
+CS/C(=N\CCCCCCCCCCCCCCN=C(N)SC)/N	NTU	n1,n14-bis((s-methyl)isothioureido)tetradecane
+Cc1c(cccc1Cl)NC(=O)[C@@H]2CCCO2	NTV	(2s)-n-(3-chloro-2-methylphenyl)oxolane-2-carboxamide
+Cc1c2c([nH]n1)NC(=O)C=C2C3CCC(CC3)CC#N	NTW	2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile
+[H]/N=C(\N)/c1cc(ccc1)COc2cc(cc(c2)C(=O)NC3CCC(CC3)N)OCc4cc(ccc4)/C(=N/[H])/N	NTX	n-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide
+c1cc(ccc1[C@H](C(=O)O)N)O	NTY	beta nor-tyrosine
+C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O	NTZ	nojirimycine tetrazole
+CC1=Nc2c(cccc2O)C(=O)N1	NU1	8-hydroxy-2-methyl-3-hydro-quinazolin-4-one
+CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c2coc(n2)C)C(=O)N3CCOCC3)C4Cc5ccccc5C4	NU2	(3~{r},6~{r})-6-[(2~{s})-butan-2-yl]-3-(2,3-dihydro-1~{h}-inden-2-yl)-1-[(1~{r})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione
+c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N	NU3	2-(4-hydroxyphenyl)-1h-benzimidazole-4-carboxamide
+Cc1c(cco1)C(=O)Nc2ccncc2	NU4	2-methyl-n-(pyridin-4-yl)furan-3-carboxamide
+c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)CCNCCCO	NU5	3-({2-[(4-{[6-(cyclohexylmethoxy)-9h-purin-2-yl]amino}phenyl)sulfonyl]ethyl}amino)propan-1-ol
+c1cc(cc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)C(=O)N	NU6	3-[[6-(cyclohexylmethoxy)-9~{h}-purin-2-yl]amino]benzamide
+CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3nc(on3)C(F)(F)F)c4nc(cs4)c5ccccc5	NU7	n-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
+COc1cc(cnc1OC)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F	NU8	2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
+c1ccc(cc1)c2csc(n2)C3(CCOCC3)CNC(=O)c4cccc(c4)c5nc(on5)C(F)(F)F	NU9	n-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2h-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
+CCn1cc(cn1)NC(=O)C2CCC2	NUA	n-(1-ethyl-1h-pyrazol-4-yl)cyclobutanecarboxamide
+CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCOCC4	NUB	1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one
+Cc1cc(c(cc1O)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3	NUD	4-[(e)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide
+Cc1cc(c(c(c1O)C)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3	NUE	4-[(e)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-n-(pyridin-2-yl)benzenesulfonamide
+c1cc2c(cc1OCCN3CCCCC3)O[Ni]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F	NUF	[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa o}(2-)]nickel (ii)
+C1CN(CCC1O)CC2=CCSC2	NUG	1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol
+CN1C=C(C=CC1=O)c2cccc(c2)OC	NUH	5-(3-methoxyphenyl)-1-methyl-pyridin-2-one
+Cc1cc(nc(n1)C)N(C)C2CC(C2)O	NUJ	trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
+c1csc2c1sc(c2)C(=O)O	NUK	thieno[3,2-b]thiophene-5-carboxylic acid
+c1ccnc(c1)C(=O)NCCc2ccc(cc2)O	NUM	n-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	NUP	6-aminouridine 5'-monophosphate
+CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F	NUQ	5-[5-(4-fluorophenyl)-1~{h}-imidazol-4-yl]-1-methyl-pyridin-2-one
+CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC	NUT	4-({(4s,5r)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1h-imidazol-1-yl}carbonyl)piperazin-2-one
+Cc1cc(cc(c1O)C)c2nc3cc(ccc3n2CC4CCN(CC4)C(=O)C)C(=O)NC	NUW	2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{n}-methyl-benzimidazole-5-carboxamide
+CC(C)N1CCN(CC1)C(=O)c2cccs2	NUY	[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
+Cc1c(c(no1)c2ccccc2)C(=O)N3CCN(CC3)c4ccc(cc4Cl)[N+](=O)[O-]	NUZ	[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
+Cc1cccc(c1N(C(C)C)C(=O)CN)C	NV1	2-azanyl-~{n}-(2,6-dimethylphenyl)-~{n}-propan-2-yl-ethanamide
+CC1=CC(=CN(C1=O)C)c2nc3cc(ccc3n2C(COC)COC)N4CCOCC4	NV2	5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one
+COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@H]5[C@@H]2C(=O)OC5)Sc6[nH]cnn6)OCO4	NV4	(5r,5ar,8as,9r)-9-[(4h-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2h-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one
+Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4ccc(cc4)Oc5ccccn5	NV5	2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{n}-(4-pyridin-2-yloxyphenyl)ethanamide
+CS(=O)(=O)N1CCN(CC1)Cc2ccco2	NV7	1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine
+c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4	NV8	2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole
+CCC[C@@H](C(=O)O)N	NVA	norvaline
+CNS(=O)(=O)c1ccc(cc1)c2cccc3c2nc(cn3)c4cc(c(c(c4)OC)OC)OC	NVB	n-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide
+CCCC[C@H](CN(C=O)O)C(=O)N1CCC[C@H]1c2nc3ccccc3o2	NVC	n-[(2r)-2-{[(2s)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-n-hydroxyformamide
+CN(C)c1ccc(cc1)CNn2cnnc2	NVD	n-{[4-(dimethylamino)phenyl]methyl}-4h-1,2,4-triazol-4-amine
+CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCc4ccc(cc4)OCP(=O)(OCC)OCC)C	NVE	diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate
+c1ccc2c(c1)[nH]c(n2)CCC(=O)NC[C@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O	NVG	4-amino-1-(5-{[3-(1h-benzimidazol-2-yl)propanoyl]amino}-5-deoxy-alpha-l-lyxofuranosyl)pyrimidin-2(1h)-one
+CS(=O)(=O)c1cc(cnc1)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F	NVH	2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one
+C=C[n+]1cc[nH]c1	NVI	1-vinylimidazole
+CCOC(=O)NCc1ccccc1	NVJ	ethyl benzylcarbamate
+Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4	NVK	1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
+C[C@H]1CCN(C=CC1)C(=O)c2cscn2	NVM	[(4r)-4-methyl-2,3,4,5-tetrahydro-1h-azepin-1-yl](1,3-thiazol-4-yl)methanone
+Cc1cc(c2cc(cc(c2n1)F)F)NC(=O)Nc3ccc(cc3)N(C)C	NVN	1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea
+Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4	NVP	11-cyclopropyl-5,11-dihydro-4-methyl-6h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
+CNCCCNC1=C(C(=O)NC(=O)N1Cc2ccc(cc2)Br)N(C)S(=O)(=O)c3ccccc3	NVQ	~{n}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{n}-methyl-benzenesulfonamide
+COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O	NVS	7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2h-1,3-benzoxazin-2-one
+c1ccc2c(c1)c(no2)CC(=O)O	NVU	2-(1,2-benzoxazol-3-yl)ethanoic acid
+c1cc(cc(c1)I)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O	NVV	7-[(3s,4r)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one
+CC(C)(C)NC(=O)Cc1ccc(cc1)Nc2c3c(nc(n2)c4ccccc4)CCCS3(=O)=O	NVW	n-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6h-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide
+c1cc(cc(c1)Cl)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O	NVX	7-[(3s,4r)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one
+CCN1CCC(CC1)Nc2ccccc2F	NVY	1-ethyl-n-(2-fluorophenyl)piperidin-4-amine
+CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O	NVZ	5-[(3as,4s,6ar)-1-acetyl-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid
+C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O	NW1	6-cyclohexylmethyloxy-5-nitroso-pyrimidine-2,4-diamine
+CC(C)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)CCOc4c(cccc4OC)C(=O)O	NW2	2-[2-[3-[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid
+C1CCC(CC1)CCC(=O)N2CCOCC2	NW4	3-cyclohexyl-1-(morpholin-4-yl)propan-1-one
+CC(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)COc4ccccc4CC(=O)O	NW5	2-[2-[[3-[(3~{s})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid
+CCc1c(c(on1)C)C(=O)Nc2cc(on2)C	NW7	3-ethyl-5-methyl-n-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
+c1ccc(cc1)c2cn3cccc(c3n2)c4ccc(cc4)Cl	NW8	8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine
+CC(CCC[N+](C)(C)C)(O)O	NWA	4,4-dihydroxy-n,n,n-trimethylpentan-1-aminium
+CC(=O)CCC[N+](C)(C)C	NWB	n,n,n-trimethyl-4-oxopentan-1-aminium
+C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-]	NWD	3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine
+c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c3)CNCC4	NWE	2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid
+C(CC(=O)C(=O)O)CN=C(N)N	NWG	5-[(diaminomethylidene)amino]-2-oxopentanoic acid
+CCCCC[C@H](C)NC=O	NWH	n-[(2s)-heptan-2-yl]formamide
+c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N)C#N)C=O	NWJ	2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCCN4CCOCC4)Cl)Cl	NWK	2-[[3,4-bis(chloranyl)-5-methyl-1~{h}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid
+CCNC1=C(N(C(=O)NC1=O)Cc2ccccc2)N	NWL	6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1h,3h)-dione
+CCC(=O)O[C@H](CCOCc1ccccc1)[C@@H](C)[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)CCN(C)C=O)OC(=O)C)O	NWM	(3r,4s,5r,6s,10r,11r,12r)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate
+[H-]([Fe](CO)(C#N)C#N)[Ni+2]	NWN	hydrido[hydridonickel(2+)]bis(hydrocyanato-1kappac)(hydroxymethyl)iron
+C[C@@H]1CN(CCO1)S(=O)(=O)N(C)C(C)C	NWP	(2r)-n,2-dimethyl-n-(propan-2-yl)morpholine-4-sulfonamide
+CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	NWQ	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-~{n}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C5=C([C@H]6[C@@H](O4)NC7=C(N6)C(=O)NC(=N7)N)S[Mo](=O)(S5)(O)O)O)O)N	NWS	moco-amp
+CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C	NWT	n-[(2s)-3-(3,5-difluorophenyl)-1-[[(3s,9s,13s,15r,19s,22s)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide
+Cn1cc(cn1)CNC(=O)c2ccco2	NWV	n-[(1-methyl-1h-pyrazol-4-yl)methyl]furan-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)N)O)O)N	NWW	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide
+Cc1ccc(cn1)CNC(=O)C2CCC2	NWY	n-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NC4CCNCC4)O)O)N	NWZ	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-piperidin-4-yl-oxolane-2-carboxamide
+c1cc(c(cc1CSc2ccsc2C(=O)O)Br)Cl	NX1	3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid
+CS(=O)(=O)NC(=O)c1c(ccs1)SCc2ccc(c(c2)Cl)Cl	NX2	3-[(3,4-dichlorobenzyl)sulfanyl]-n-(methylsulfonyl)thiophene-2-carboxamide
+c1cc(cc(c1)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl)N	NX3	n-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide
+COc1ccc(cc1C(=O)O)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl	NX4	5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid
+c1ccc(c(c1)C(=O)O)SCc2ccc(c(c2)Cl)Cl	NX5	2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid
+c1ccc(cc1)COC(=O)N[C@@H](CC(=O)O)C(=O)O	NX6	n-[(benzyloxy)carbonyl]-l-aspartic acid
+c1cc(c(c(c1)F)C(=O)N2CCCC2)F	NX7	(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCC4CCNCC4)O)O)N	NX8	(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-(piperidin-4-ylmethyl)oxolane-2-carboxamide
+C[C@@H](C(=O)O)NC(=O)O	NXA	n-carboxyalanine
+c1nc(c2c(n1)n(cn2)C[C@@H]3[C@@H]([C@@H]([C@@H](CO3)N)O)O)N	NXB	(2~{r},3~{r},4~{r},5~{r})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol
+CCO[P@@](=O)(CCCc1cc2c3c(c1)C[N]([Pt]3([N](C2)(C)C)Cl)(C)C)Oc4ccc(cc4)[N+](=O)[O-]	NXC	(2,6-bis[(dimethylamino-kappan)methyl]-4-{3-[(s)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappac~1~)(chloro)platinum(2+)
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)C(=O)N)O)O)(C(=O)O)OC)O	NXD	methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+CC(=O)Nc1cc(no1)C(F)(F)F	NXE	~{n}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCO	NXG	2-{[4-(diethylamino)piperidin-1-yl]methyl}-4-(3-hydroxyprop-1-yn-1-yl)-6-iodophenol
+CC(C)NC(=O)Nc1ccncc1	NXH	1-propan-2-yl-3-pyridin-4-yl-urea
+CC1(C[C@@H]1C(=O)N(C)c2cccnc2)C	NXJ	(1s)-n,2,2-trimethyl-n-(pyridin-3-yl)cyclopropane-1-carboxamide
+B(c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)(O)O	NXK	2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N	NXL	(2s,5r)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
+C1CC1c2nc(on2)CC3CCNCC3	NXM	4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
+c1cc(c(cc1Cl)Cl)OCC(=O)NCCS	NXN	2-(2,4-dichloro-phenoxy)-n-(2-mercapto-ethyl)-acetamide
+C/C(=N\NC(=N)N)/c1ccc(cc1)NC(=O)c2c[nH]c3c2cccc3	NXP	n-{4-[(1e)-n-carbamimidoylethanehydrazonoyl]phenyl}-1h-indole-3-carboxamide
+C[S-](c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)O	NXQ	2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid
+c1cnc(nc1)N2CCC(CC2)CO	NXS	[1-(pyrimidin-2-yl)piperidin-4-yl]methanol
+c1c(c2c(o1)CCCC2)C(=O)O	NXT	4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@H](CO)NC(=O)c2c3ccccc3ccc2O)C(=O)O)C	NXU	(2r,4s)-2-[(1r)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+c1cc(c(cc1CSc2cc(ccc2C(=O)O)C#CCCO)Cl)Cl	NXV	2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid
+CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(c(c2)SCc3ccc(c(c3)Cl)Cl)C(=O)O	NXW	2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({n-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O	NXX	1-[(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-3-carboxypyridinium
+c1cc(c(cc1CSc2ccsc2C(=O)O)Cl)Cl	NXY	3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid
+c1ccc(cc1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N4CCCCC4=O)N	NXZ	1-[(3s,4s)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one
+Cc1nc(cs1)CC(=O)N2CCOCC2	NY1	2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one
+c1c(c(n[nH]1)C2=CN3C(=C(C(=O)N3)Br)N=C2)[N+](=O)[O-]	NY2	3-bromo-6-(4-nitro-1h-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1h)-one
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCOC(=O)NCc3cccc(c3)c4cnc[nH]4	NY3	2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{n}-[[3-(1~{h}-imidazol-5-yl)phenyl]methyl]carbamate
+C[C@@H](c1ccc(cc1)NC(=O)C2CC2)N	NY4	n-{4-[(1s)-1-aminoethyl]phenyl}cyclopropanecarboxamide
+c1cc2c(cc1C(=O)O)CCCC2	NY5	5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)C4(CCN(CC4)C(=O)c5cnc[nH]5)NC3=O	NY6	3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{h}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
+Cc1ccc(c(c1)NC(=O)CN)OC	NY7	n-(2-methoxy-5-methylphenyl)glycinamide
+CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccc5ccccc5c4)OC)OC	NY8	~{n}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{n}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCNC(=O)NCc3cccnc3	NY9	n-{2-[7-(diethylamino)-4-methyl-2-oxo-2h-1-benzopyran-3-yl]ethyl}-n'-[(pyridin-3-yl)methyl]urea
+C[C@H](\C=C\[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	NYA	(1r,3r,7e,17beta)-17-{(1r,2e,4r)-4-hydroxy-1-methyl-4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CC[C@@H](C)SC[C@@H](C(=O)O)NC	NYB	n-methyl-s-[(1r)-1-methylpropyl]-l-cysteine
+C[C@H]([C@@H](C1=N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1CC(=O)O)N)O	NYC	[(4e)-2-[(1r,2s)-1-amino-2-hydroxypropyl]-4-(1h-indol-3-ylmethylene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1ccc2cc(c(cc2c1)C(=O)O)N	NYE	3-azanylnaphthalene-2-carboxylic acid
+c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC(=O)N)N)CC(=O)O)O	NYG	[(4z)-2-[(1s)-1,3-diamino-3-oxopropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+C1CCC(=CC1)[N+](=O)[O-]	NYH	1-nitrocyclohexene
+Cc1cccc2c1C(=C(NC2=O)c3ccccc3)C	NYJ	4,5-dimethyl-3-phenylisoquinolin-1(2h)-one
+c1ccc2c(c1)[C@@H](C(=O)N2)CC#N	NYK	[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]acetonitrile
+C=CCNc1ccccc1	NYL	n-allyl-aniline
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N	NYM	3'-deoxy-3'-aminothymidine monophosphate
+C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4	NYN	chlorido(1,2-diaminoethane-k2n,n')(1,4,7-trithiacyclononane-k3s,s',s'')ruthenium(ii) trifluoromethanesulfonate
+CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)[C@]4(CCN(C4)C(=O)c5c[nH]cn5)NC3=O	NYO	(5~{r})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{h}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
+C/[N+](=C\C=C)/CC1CCC=CC1	NYP	n-[(e)-methyl](phenyl)-n-[(e)-2-propenylidene]methanaminium
+c1cc2c(cc1Br)CC(=O)N2	NYQ	5-bromanyl-1,3-dihydroindol-2-one
+c1c(cc(c(c1O)O)SC[C@@H](C(=O)O)N)[C@H](CN)O	NYS	s-{5-[(1r)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-l-cysteine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O	NYT	beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl-(2->1)-beta-d-fructofuranosyl alpha-d-glucopyranoside
+CC(C)n1cc(nc1)S(=O)(=O)N	NYV	1-(propan-2-yl)-1h-imidazole-4-sulfonamide
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N)N	NYW	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NC(=O)N=C2N	NYZ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+COc1ccc2c(c1)nc(s2)N	NZ1	5-methoxy-1,3-benzothiazol-2-amine
+C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C	NZ2	n-(methylsulfonyl)-n-phenyl-l-alanine
+C[C@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C	NZ3	n-(methylsulfonyl)-n-phenyl-d-alanine
+CC(=O)c1cccc(c1)NC(=O)N2CCOCC2	NZ4	n-(3-acetylphenyl)morpholine-4-carboxamide
+CC[C@H](CO)O	NZ5	(2~{r})-butane-1,2-diol
+CN(C)C(=O)N1CCOC[C@]12CCOC2	NZ7	(5r)-n,n-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide
+c1cc2c(nc1)Oc3cc(ccc3N(C2=O)c4ccncc4)NC(=O)Nc5ccc(c(c5)C(F)(F)F)Cl	NZ8	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea
+c1csc(c1S(=O)(=O)NC2CC2)C(=O)O	NZ9	3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid
+c1ccc(cc1)Sc2c3cc(ccc3n(c2C(=O)O)Cc4ccc(cc4)Cl)Cl	NZA	5-chloro-1-(4-chlorobenzyl)-3-(phenylthio)-1h-indole-2-carboxylic acid
+CN(C)Cc1c2cc(ccc2n[nH]1)c3ccc(cc3OCCc4cccnc4)F	NZB	[(5-{4-fluoro-2-[2-(pyridin-3-yl)ethoxy]phenyl}-1h-indazol-3-yl)methyl]dimethylamine
+C[C@H]([C@@H](C(=O)O)NC)O	NZC	n-methylidene-l-threonine
+CN1CCN(CC1)C(=O)Nc2ccccc2	NZD	4-methyl-n-phenylpiperazine-1-carboxamide
+CN(C)Cc1c2cc(ccc2[nH]n1)c3ccc(cc3OCCn4ccnc4)F	NZE	[(5-{4-fluoro-2-[2-(1h-imidazol-1-yl)ethoxy]phenyl}-1h-indazol-3-yl)methyl]dimethylamine
+COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3CCC[C@@H](C3)C(=O)NCc4cccc(c4)OC(F)(F)F	NZF	(3s)-n-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide
+CC(=O)Nc1cc(ccc1F)C(=O)O	NZG	3-(acetylamino)-4-fluorobenzoic acid
+c1c(ncn1c2[nH]nnn2)C[C@@H](C=O)N	NZH	(2s)-2-amino-3-[1-(1h-tetraazol-5-yl)-1h-imidazol-4-yl]propanal
+c1ccc2c(c1)NC(=O)N2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	NZI	[(2~{r},3~{s},5~{r})-3-oxidanyl-5-(2-oxidanylidene-3~{h}-benzimidazol-1-yl)oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
+Cc1cccc(c1)C(=O)N2CCC(CC2)C(=O)N	NZJ	1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide
+c1ccc2c(c1)C[C@@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN	NZL	5-[[(1s,2s)-2-(6-azanylhexanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
+C=CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)O	NZM	cefixime, bound form
+CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2	NZN	n-ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide
+COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3	NZO	nocodazole
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(C[C@@H]([C@@H]5O)O)C(=O)N)O)O)O)OP(=O)(O)O)N	NZQ	5,6-dihydroxy-nadp
+Cn1c2c(cn1)c(nc(n2)N3CCS(=O)(=O)CC3)Nc4cccc(c4)OC	NZS	6-(1,1-dioxidothiomorpholin-4-yl)-n-(3-methoxyphenyl)-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)c5cnccn5	NZT	n-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide
+Cn1c2c(cn1)c(nc(n2)c3cccc4c3c[nH]n4)NCCCS(=O)(=O)C	NZU	6-(2h-indazol-4-yl)-1-methyl-n-[3-(methylsulfonyl)propyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CN1C(=NC(=O)C(=O)N1)SCC2=C(N[C@H](SC2)[C@@H](C(=O)O)NC(=O)/C(=N\OC)/c3csc(n3)N)C(=O)O	NZV	ceftriaxone, bound form
+C[C@@H](c1ccc(cc1)OC)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)c3ccc4ccccc4n3	NZW	~{n}-[2-[(2~{s})-2-[[(1~{s})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
+CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)COC[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O	NZY	n-[(3s,4r,5s,6r)-4,5-dihydroxy-6-({[(2s,3s,4s,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2h-pyran-3-yl]acetamide (non-preferred name)
+CC(=CCC/C(=C\CO)/C)C	NZZ	(2z)-3,7-dimethylocta-2,6-dien-1-ol
+O	O	oxygen atom
+Cc1c(sc(n1)C)c2cc([nH]n2)CN	O01	[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1h-pyrazol-3-yl]methanamine
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NN)N	O02	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+[H]/N=C(/c1ccc(cc1)/C=N/O[C@H]2CCCCO2)\N	O04	(e)-4-((tetrahydro-2h-pyran-2-yloxyimino)methyl)benzimidamide
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N4CC[NH2+]CC4)N	O05	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-piperazin-4-ium-1-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+C[C@@H](c1ccc(cc1Cl)OC)NC(=O)[C@@H]2C[C@H](CN2C(=O)CNC(=O)c3ccc4cc(ccc4n3)F)O	O08	~{n}-[2-[(2~{s},4~{r})-2-[[(1~{s})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide
+[H]/N=C(/c1ccc(cc1)/C=N/OCC(=O)O)\N	O09	(e)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid
+Cc1ccc(cc1)[C@H]2c3c(nn(c3NC(=O)[C@H]2NC(=O)c4cccc(c4)C)c5ccccc5)C	O0A	3-methyl-n-[(4s,5s)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]benzamide
+C[C@@H](CC(F)(F)F)[C@@H](C=O)N	O0B	(2~{s},3~{s})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl	O0D	(2r)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid
+C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2c[nH]cn2)NC(=O)c3cc4ccccc4cc3N	O0E	(2~{s})-1-[(2~{s})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{h}-imidazol-4-yl)propanoyl]-~{n}-[(2~{s})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide
+C[C@@H](CO)Nc1c(cc(cn1)Cl)F	O0G	(2s)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol
+CC(=O)Nc1ccc(cc1)c2csc(n2)N	O0J	n-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
+CC(C)c1ccc(cc1)CN2CCC(CC2)O	O0M	1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol
+CN(Cc1cccc(c1)F)S(=O)(=O)N	O0P	n-[(3-fluorophenyl)methyl]-n-methylsulfuric diamide
+c1cn(nn1)CCNC(=O)C23C4C5C2C6C5C4C36	O0Q	~{n}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide
+CC(=O)Nc1ccc(cc1)Oc2ncccn2	O0S	n-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide
+C[C@@H](CO)N(C)c1c(cccn1)F	O0V	(2s)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol
+Cc1cc(cc2c1nn(c2)C3CCNCC3)C4=CN(C(=O)c5c4occ5)C	O0W	5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one
+CCN(CC)c1cccc(c1)O	O0Y	3-(diethylamino)phenol
+CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCC[C@H]3CCCN(CC3)Cc4ccccc4	O0Z	(2~{s})-2-(butylamino)-3-(1~{h}-indol-3-yl)-~{n}-[2-[(4~{r})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide
+CCC(CC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O	O11	(2s)-3-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)pentan-3-yl]phenoxy}propane-1,2-diol
+CCCCCCCCCCCC(=O)NCCC[C@@H](C(=O)O)N	O12	n~5~-dodecanoyl-l-ornithine
+[H]/N=C(/c1ccc(cc1)/C=N/O[C@@H]2CCCN(C2)C)\N	O13	(e)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide
+[H]/N=C(/c1ccc(cc1)/C=N/OC2CCN(CC2)C)\N	O14	(e)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide
+[H]/N=C(/c1ccc(cc1)/C=N/OC(C)(C)C(=O)O)\N	O15	(e)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid
+c1ccc(cc1)\C=C\c2nn([n+](n2)c3ccc4c(c3)C(=O)NNC4=O)c5nc6ccccc6s5	O16	3-(1,3-benzothiazol-2-yl)-2-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(e)-2-phenylvinyl]-3h-tetraazol-2-ium
+COCCNC(=O)/C=C/c1ccc(cc1OCC#N)Nc2cc(c(c(n2)NC34CC5CC(C3)CC(C5)C4)C#N)N	O17	(2e)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-n-(2-methoxyethyl)prop-2-enamide
+CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C=O)N	O18	[(2~{s})-2-azanyl-3-oxidanylidene-propyl] (~{z})-hexadec-9-enoate
+c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)NC(=O)[C@H]5CCCN5	O19	(2r)-n-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
+CC(=O)Nc1ccc(cc1)N2CCN(CC2)C	O1A	n-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
+C(CNC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N	O1B	(2r,3r,4s)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCCO)O)C	O1C	2alpha-(3-hydroxypropyl)-1alpha,25-dihydroxyvitamin d3
+c1ccc(cc1)COc2cccc(c2)N	O1D	3-(benzyloxy)aniline
+CCc1nnc(s1)NCc2ccc3c(c2)cc[nH]3	O1E	5-ethyl-n-(1h-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O)COP(=O)(O)O)O)O	O1G	3-deoxy-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-o-phosphono-alpha-d-gluco  pyranose
+c1cc(ccc1Cn2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5)C#N	O1H	4-[[5-[7-chloranyl-3-(1~{h}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile
+c1ccc(cc1)COCC(=O)O	O1J	(benzyloxy)acetic acid
+c1cc(ccc1N2CCN(CC2)C(=O)N)F	O1M	4-(4-fluorophenyl)piperazine-1-carboxamide
+CC(C)C12[C]3[Os]1456([C]3C4([C]5[C]62)C)(C7=[N](c8ccccc8N7C)C)(Cl)Cl	O1N	dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(ii)
+Cc1cccc(c1)n2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5	O1Q	4-chloranyl-1-(1~{h}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
+Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)CN4CCCC4	O1S	6-(5-methyl-1h-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3h)-one
+C[C@@H](c1ccc(cc1)F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl	O1T	[[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-[[(1~{s})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)[C@@H]4CC5CCN4CC5	O1V	2-[(2s)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1h-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3h)-one
+Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)COC)N5CCOC[C@@H]5C	O1W	6-[1-[(2~{s})-1-methoxypropan-2-yl]-6-[(3~{s})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{n}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
+CN(c1cc(ncn1)Nc2c(cn(n2)CCO)NC(=O)C=C)C(=O)Nc3c(c(cc(c3Cl)OC)OC)Cl	O1Y	n-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1h-pyrazol-4-yl}prop-2-enamide
+c1ccc2cc(ccc2c1)C(=O)c3c(nc(s3)NC4CCCCC4)N	O1Z	[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone
+O=O	O2	oxygen molecule
+CN1CCN(CC1)CCCN(c2cc(ncn2)Nc3ccccc3NC(=O)C=C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl	O21	n-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide
+CCOc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N	O22	4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide
+c1cc(sc1)CNc2c3ncc(n3ccn2)c4ccc(cc4)C(=O)NC5CC5	O23	n-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
+CCNCc1cn(nc1C(F)(F)F)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N	O25	2-[({4-[(ethylamino)methyl]-3-(trifluoromethyl)-1h-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CC(C)(C)c1c(cn(n1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)CNC	O26	2-[({3-tert-butyl-4-[(methylamino)methyl]-1h-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N[C@@H]5CCNC5)C(F)(F)F)C1	O27	n-[(3r)-pyrrolidin-3-yl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N)C(F)(F)F)C1	O28	2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CN(C)CCNC(=O)c1c2c(sc1NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4)CCCC2	O29	n-[2-(dimethylamino)ethyl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CNC(=O)c1cccc2c1[nH]cc2	O2A	n-methyl-1h-indole-7-carboxamide
+Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)c5ccccc5)N6CCOC[C@@H]6C	O2B	3-methyl-6-[6-[(3~{s})-3-methylmorpholin-4-yl]-1-[(1~{s})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{n}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
+C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)COP(=O)(O)O	O2C	3'-deoxy-cytidine-5'-monophosphate
+c1nncn1NC(=O)CC2CCCCC2	O2D	2-cyclohexyl-n-(4h-1,2,4-triazol-4-yl)acetamide
+C[C@@H]1[C@@H](N=C(C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)OC[C@H](C=O)N	O2E	(2~{s},3~{r})-2-[(2~{s},3~{r})-1-[(2~{r})-2-azanyl-3-oxidanylidene-propoxy]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{s},5~{s})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CN(C)C1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1	O2G	2'-deoxy-n,n-dimethyl-5'-o-[oxido(oxo)phosphonio]guanosine
+CCCC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC	O2H	~{n}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
+COC[C@H]1CN(CCO1)c2ccccn2	O2J	(2r)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine
+CCC(=O)NCc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)C	O2K	~{n}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide
+Cc1csc(n1)CNC(=O)c2ccn[nH]2	O2M	n-[(4-methyl-1,3-thiazol-2-yl)methyl]-1h-pyrazole-5-carboxamide
+COc1ccc(cc1)C(c2ccc(cc2)OC)NC(=O)c3ccccc3CN(CC=C)Cc4ccc5c(c4C(=O)O)OCO5	O2N	5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid
+Cc1ccc(c(c1)O)NC(=O)c2ccccc2C	O2P	n-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
+Cc1nnc2n1nc(cc2)N(C)Cc3ccc(c(c3)F)F	O2Q	~{n}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{n},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
+C[C@@H]([C@H](CC(C)C)C(=O)O)S	O2S	(2~{r})-4-methyl-2-[(1~{s})-1-sulfanylethyl]pentanoic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C(=O)O)(O)O)CCOP(=O)(O)OP(=O)(O)[O-]	O2T	[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[1,1,2-tris(oxidanyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-5-yl]ethoxy-oxidanyl-phosphoryl] hydrogen phosphate
+C[C@H]([C@@H](CC(C)C)C(=O)O)S	O2V	(2s)-4-methyl-2-[(1r)-1-sulfanylethyl]pentanoic acid
+COC(=O)COC(=O)NC12CCC(CC1)[C@@H]3[C@H]2C(=O)N(C3=O)c4ccc(cc4)N	O2W	methyl ({[(3ar,4r,7r,7ar)-2-(4-aminophenyl)-1,3-dioxooctahydro-4h-4,7-ethanoisoindol-4-yl]carbamoyl}oxy)acetate
+c1cc(c(nc1)C(=O)O)SCC(=O)O	O2Y	3-[(carboxymethyl)sulfanyl]pyridine-2-carboxylic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)NN	O2Z	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxyphosphinic acid
+C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)NCCCN)C(F)(F)F)C1	O30	n-(3-aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
+CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5OC/C=C/C(c6c(nc7ccccc7n6)O4)(F)F)C(C)(C)C	O31	(3ar,7s,10s,12r,21e,24ar)-7-tert-butyl-n-[(1r,2r)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1h,10h-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide
+Cc1nnc2n1cc(cc2)c3cc4c(cccn4)c(c3)O[C@H](C)[C@@H]5CC(=O)NC5	O32	(4~{r})-4-[(1~{r})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
+CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C	O33	(4r)-n-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-3-[(2s,3s)-2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-s-methyl- l-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
+C[C@@]1(CSC(=N1)C(C)(C)[C@@H]([C@@H]2CS[C@@H](N2)[C@H]3CSC(=N3)c4ccccc4O)O)C(=O)O	O34	yersiniabactin
+Cc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)CN(C)C	O35	~{n}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
+CCN1c2c(c(nn2[C@H]3CCC=CC3)C)[C@@H]([C@@H](C1=O)NC(=O)c4cccc(c4)C)c5ccc(cc5)F	O37	n-[(4s,5s)-1-[(1s)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide
+Cn1cc(cn1)c2ccc(cc2OCC#N)Nc3ccc(c(n3)NC4CCCCC4)C#N	O38	6-{[3-(cyanomethoxy)-4-(1-methyl-1h-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile
+CN(c1ccccc1)C(=O)[C@H]2CCNC2	O3A	(3s)-n-methyl-n-phenylpyrrolidine-3-carboxamide
+B(c1ccc(cc1)S(=O)(=O)N)(O)O	O3B	(4-sulfamoylphenyl)boronic acid
+c1cc(oc1)CN2CCS(=O)(=O)CC2	O3D	4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione
+CC#CC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC	O3E	~{n}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
+c1ccc(cc1)CNCc2ccc(cc2)F	O3G	n-benzyl-1-(4-fluorophenyl)methanamine
+c1ccc2c(c1)C(=O)NC(=N2)SCCN3CCN(CC3)c4ccccn4	O3H	2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{h}-quinazolin-4-one
+CC(=O)N1CCN(CC1)CCCc2ccccc2	O3J	1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one
+c1ccc2c(c1)CCN(C2)Cc3ccc(cc3)O	O3M	4-[(3,4-dihydroisoquinolin-2(1h)-yl)methyl]phenol
+C=CCN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	O3N	(2s)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CN(CCN)Cc1c[nH]cc1c2cccc(c2)NC(=O)C=C	O3P	n-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1h-pyrrol-3-yl)phenyl]prop-2-enamide
+CCC(=O)Nc1cccc(c1)c2c[nH]cc2CN(C)CCN	O3S	n-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1h-pyrrol-3-yl)phenyl]propanamide
+CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C	O3V	3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one
+CN(CCS)C(=O)c1ccccc1	O3W	~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide
+CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5ccccc5Cl)C(=O)C1)C	O3Y	4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5h-pyrazolo[3,4-b]quinolin-5-one
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CO)C(=O)O)O	O3Z	(2~{r})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid
+CCCc1c(ccc2c1onc2C(F)(F)F)OCCCN(C)C(=O)Nc3ccc(cc3)C(=O)O	O40	4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid
+CS(=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3	O41	5-cyclopropyl-n-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
+c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N	O42	4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide
+c1cc(ccc1c2cnc3n2nc(cc3NCC4CCOCC4)NC5CCCCC5)C(=O)NC6CC6	O43	4-{6-(cyclohexylamino)-8-[(tetrahydro-2h-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-n-cyclopropylbenzamide
+C#CCNC(=O)c1cc(nc(n1)N2CCN(CC2)Cc3ccc(cc3)S(=O)(=O)F)Nc4cc(n[nH]4)C5CC5	O44	4-[(4-{4-[(3-cyclopropyl-1h-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride
+CC(=C)CONC(=O)C(=O)O	O45	2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid
+[H]/N=C/c1nc(cc(n1)c2cc(cc(c2)C(F)(F)F)C(=O)N(C)C)CCC	O47	3-{2-[(e)-iminomethyl]-6-propylpyrimidin-4-yl}-n,n-dimethyl-5-(trifluoromethyl)benzamide
+CCCCCCCCCCOS(=O)(=O)N	O48	decyl sulfamate
+Cc1ccc2c(c1)-c3c(cnn3CC(=O)Nc4ccc5c(c4)OCCO5)CO2	O4A	n-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4h)-yl)acetamide
+C1COCCOCCOCCOCCOCCO1	O4B	1,4,7,10,13,16-hexaoxacyclooctadecane
+Cc1cc(nc2c1c(nn2CC(=O)NCCCN3CCOCC3)n4cccc4)C	O4D	2-[4,6-dimethyl-3-(1h-pyrrol-1-yl)-1h-pyrazolo[3,4-b]pyridin-1-yl]-n-[3-(morpholin-4-yl)propyl]acetamide
+CN(CCS)C(=O)c1cccc(c1)Br	O4E	3-bromanyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide
+c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c3)OCCO4	O4G	n-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
+[OH2][Mn+2]([OH2])([OH2])[OH2]	O4M	manganese tetrahydrate ion
+CCC[C@@H](c1ccc(cc1)OC)NC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4	O4N	5-[[[2-[[(1s)-1-(4-methoxyphenyl)butyl]carbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+CN([C@@H](c1cccs1)c2c[nH]c3c2cccc3)C(=O)COc4ccccc4OC	O4P	n-[(r)-(1h-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-n-methylacetamide
+C/C(=C\Cl)/CC=O	O4Q	(~{e})-4-chloranyl-3-methyl-but-3-enal
+CCc1ccc(cc1)CNC(=O)CN2c3cc(ccc3N4CCCC[C@@H]4C2=O)C(=O)N5CCCC5	O4S	n-[(4-ethylphenyl)methyl]-2-[(6ar)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5h-pyrido[1,2-a]quinoxalin-5-yl]acetamide
+C[C@H](c1cc(cnc1)N2C(=O)c3ccc(cc3C2(C)C)Cl)NS(=O)(=O)C	O4T	~{n}-[(1~{r})-1-[5-(6-chloranyl-1,1-dimethyl-3-oxidanylidene-isoindol-2-yl)pyridin-3-yl]ethyl]methanesulfonamide
+CCOc1ccccc1n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C)N	O4V	1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1h-1,2,3-triazol-5-amine
+CC1(c2cc(ccc2C(=O)N1c3cc(cnc3)OC4CN(C4)C(=O)c5cnn(c5)C)Cl)C	O4W	5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one
+C[C@H](C(=O)O)N1C=Nc2ccccc2C1=O	O4Y	(2r)-2-(4-oxoquinazolin-3(4h)-yl)propanoic acid
+c1ccc(c(c1)CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F	O4Z	1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea
+c1cc(c(cc1NC(=O)[C@H]2CCCN(C2)C(=O)NCCN)F)Cl	O51	(3s)-n~1~-(2-aminoethyl)-n~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide
+CC(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2	O53	(2s)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1h-pyrido[2,3-d]pyrimidin-4-one
+CCNC(=O)Nc1cc2c(ccc(c2cn1)C)c3ccnc(c3)C	O54	1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
+c1cc(ccc1NC(=O)NCCNCc2ccc(cc2O)Br)S(=O)(=O)N	O55	1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea
+c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F	O57	10-benzyl-2-fluoro-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
+c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CC(=O)O)NC(=O)CCc3cc(ccc3n4cnnn4)Cl	O58	{4-[(n-{3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]propanoyl}-l-phenylalanyl)amino]phenyl}acetic acid
+C(CCCCOS(=O)(=O)N)CCCOS(=O)(=O)N	O59	octane-1,8-diyl disulfamate
+c1cc(ccc1[C@@]2(CCN(C2)C(=O)C3CCC(CC3)C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(C(F)(F)F)(C(F)(F)F)F	O5A	trans-4-{(3r)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid
+c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C5CCC(CC5)C(=O)O	O5B	trans-4-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
+Cc1cc(ncc1N)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4c(cccc4Cl)OC	O5D	[3-(5-amino-4-methylpyridin-2-yl)-1h-pyrazol-5-yl]{(3r)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone
+c1ccc(cc1)[C@H](C(=O)Nc2[nH]nnn2)Nc3ccccc3	O5E	(2r)-2-phenyl-2-(phenylamino)-n-(1h-tetrazol-5-yl)acetamide
+Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4ccccc4OC	O5G	{(3r)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1h-pyrazol-5-yl]methanone
+c1ccc(cc1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N	O5H	1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea
+COc1ccc(cc1)C(=O)CN2C(=O)C(NC2=O)(c3ccccc3)c4ccccc4	O5J	3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
+c1cc(ccc1CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F	O5K	1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea
+Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4ccccc4F	O5M	{(3r)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1h-pyrazol-5-yl]methanone
+c1ccc(c(c1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N)F	O5N	1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea
+Cc1ccnc(c1)c2cc(n[nH]2)C(=O)N3CCOC[C@H]3Cc4ccccc4	O5P	[(3r)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1h-pyrazol-3-yl]methanone
+CCC(=O)N1CC(C1)NC(=O)Cn2c3c(cc(cc3c(c2C4CC4)C(=O)N5CCc6c(cccc6OC)C5)Cl)C	O5S	2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1h)-carbonyl)-7-methyl-1h-indol-1-yl]-n-(1-propanoylazetidin-3-yl)acetamide
+c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCNCc2ccc(cc2O)Br	O5T	1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea
+c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)NC(=O)CCCCCN	O5U	(2r)-6-[[(1r,2s)-2-(6-azanylhexanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2C(=O)N3CC=C(C3)c4ccccc4)Br	O5V	2-[4-bromo-2-(3-phenyl-2,5-dihydro-1h-pyrrole-1-carbonyl)phenoxy]-n-(1-propanoylazetidin-3-yl)acetamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P-](=O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO[P-](=O)(=O)O)n4cnc5c4nc[n+](c5N)C)O	O5W	[(3~{s},5~{r})-5-(6-azanyl-1-methyl-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
+CCC(=O)N1CC(C1)NC(=O)Cn2cc(c3c2ccc(c3)Br)C(=O)N4CCc5c(cccc5OC)C4	O5Y	2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1h)-carbonyl)-1h-indol-1-yl]-n-(1-propanoylazetidin-3-yl)acetamide
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(o3)Br)N	O5Z	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
+C(CCCCCOS(=O)(=O)N)CCCCOS(=O)(=O)N	O60	decane-1,10-diyl disulfamate
+c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)SCC(=O)N5	O61	n-[(2s)-1-({2-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2h-1,4-benzothiazine-7-carboxamide
+CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)cccc5C(=O)O	O62	6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid
+CC[C@@H](C=O)NC(=O)c1cccc(c1Cl)C(F)(F)F	O64	2-chloro-n-[(1s)-1-formylpropyl]-3-(trifluoromethyl)benzamide
+Cc1c(cc(cc1CO)C(=O)O)CO	O65	3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde
+CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2NC(=O)c3cc(no3)C)Br	O67	n-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide
+CN(CCS)C(=O)c1ccc(cc1)F	O68	4-fluoranyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide
+c1cc(ccc1CN)S(=O)(=O)N2CCC(CC2)NC(=O)c3cc(on3)C4CC4	O6A	n-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
+Cc1ccc(cc1N)c2cc(nc(n2)O[C@H](C(=O)O)C(c3ccccc3)(c4ccccc4)OC)C	O6D	(2s)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid
+CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C	O6E	3-[5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C	O6G	n-(2-cyano-3-methyl-1h-indol-5-yl)butane-1-sulfonamide
+Cc1cc(c(c(c1)C)C[C@@H](C=O)N)C	O6H	2,4,6-trimethyl-l-phenylalanine
+CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C	O6J	n-(2-cyano-3-methyl-1h-indol-5-yl)pentane-1-sulfonamide
+CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O)NCc4ccccc4)O	O6K	~{tert}-butyl ~{n}-[1-[(2~{s})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{s},3~{r})-3-oxidanyl-4-oxidanylidene-1-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
+Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3cccc(c3)C#N	O6M	3-cyano-n-(3-cyano-4-methyl-1h-indol-7-yl)benzene-1-sulfonamide
+C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O	O6P	doripenem
+c1ccc(cc1)c2csc3c2C(=O)NC(=N3)COC(=O)CCN4c5ccccc5OCC4=O	O6S	(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl)propanoate
+CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C	O6T	biotc4-1 cofactor
+C[C@@H](C1=Nc2c(c(cs2)c3ccccc3)C(=O)N1)OC(=O)C[C@H]4C(=O)Nc5ccccc5S4	O6V	(1s)-1-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl [(2s)-3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl]acetate
+c1cc2cnccc2cc1NS(=O)(=O)CCCC(F)(F)F	O6W	4,4,4-tris(fluoranyl)-~{n}-isoquinolin-6-yl-butane-1-sulfonamide
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3	O6Y	2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile
+CCCCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2	O6Z	~{n}-(1~{h}-indazol-5-yl)butane-1-sulfonamide
+CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)CC(=O)O	O71	(4-{6-[(2s)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2h-1,3-benzodioxol-4-yl}phenyl)acetic acid
+c1cc2ccnc(c2nc1)N	O72	1,7-naphthyridin-8-amine
+Cc1c(c2c(n1C)C(=O)C=C(C2=O)NCCCCN)COc3ccc(cc3)[N+](=O)[O-]	O73	5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1h-indole-4,7-dione
+c1ccc2c(c1)C(=N/C(=C/3\C=CC=CC3=O)/N2)Nc4ccccc4Cl	O74	6-[4-(2-chloroanilino)-1h-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
+CCCc1cc(nc(n1)C#N)c2cc(cc(c2)C(F)(F)F)C(=O)N(CCN(C)C)Cc3ccccc3	O75	n-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-n-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide
+c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N	O77	n-[(3s)-3-amino-3-carboxypropyl]-l-histidine
+[H]/N=C\1/CCCC(=C1)C(=O)O	O78	(3z)-3-iminocyclohex-1-ene-1-carboxylic acid
+C[C@@H]([C@@H](C(=O)O)NC)O	O7A	n-methyl-l-allothreonine
+c1cc2c3c(c1)C(=O)N(C[C@H]3CCC2)[C@@H]4CN5CCC4CC5	O7B	(3~{a}~{s})-2-[(3~{s})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{h}-benzo[de]isoquinolin-1-one
+CN[C@@H](Cc1c[nH]c2c1c(ccc2)OC)C(=O)O	O7D	4-methoxy-n-methyl-l-tryptophan
+CCOC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	O7E	6-(ethoxycarbonyl)uridine 5'-(dihydrogen phosphate)
+CC(C)[C@@H](C(=O)O)N(C)C	O7G	n,n-dimethyl-l-valine
+c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N[C@@H](CCC(=O)O)C(=O)O	O7J	n-[(1s)-1-carboxy-3-{[(1s)-1-carboxy-2-(1h-imidazol-5-yl)ethyl]amino}propyl]-l-glutamic acid
+CCC(=O)N1C[C@@H]2C(=O)N(c3cnc4c(c3N2C[C@H]1C)cc(c(c4F)c5c(cccc5F)O)Cl)C	O7K	pyrazinoquinolinone
+COC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	O7M	6-(methoxycarbonyl)uridine 5'-(dihydrogen phosphate)
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CNC1=O)CCCCN)CCCCN	O7N	1-[(8~{r},15~{s},18~{s})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCN(C(=O)C3)C	O7P	2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile
+CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C	O7Q	biotc5-1 cofactor
+C/C/1=C\[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C=C1)CC=C)C(C)C)F)O	O7S	(3r,4r,5e,10e,12e,14s,16r,26ar)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,7h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione
+C1=C[P@](=O)(NC(=O)N1)N	O7U	(2r)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1h)-one 2-oxide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4)F)O)/C	O7V	(2r)-2-[(3s,4r,5e,10e,12e,14s,16r,26ar)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4)O)/C	O7Y	(2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
+CC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3	O7Z	2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{h}-inden-5-yl]oxy]ethanoic acid
+CN(C)Cc1ccc2c(c1)c3ccccc3n2CC(F)(F)F	O80	n,n-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9h-carbazol-3-yl]methanamine
+[C@H]1([C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	O81	(1s,2r,3r,4s,5s,6r)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+CNCc1ccc2c(c1)c3ccccc3n2CCF	O82	1-[9-(2-fluoroethyl)-9h-carbazol-3-yl]-n-methylmethanamine
+CNCc1ccc2c(c1)c3ccccc3n2CC(F)F	O83	1-[9-(2,2-difluoroethyl)-9h-carbazol-3-yl]-n-methylmethanamine
+c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/CP(=O)(O)O)P(=O)(O)O	O84	[(2~{r},4~{a}~{r},6~{r},7~{a}~{r})-6-[2,4-bis(oxidanylidene)-5-[(~{e})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{h}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
+CN(CCS)C(=O)c1cccc(c1)F	O85	3-fluoranyl-~{n}-methyl-~{n}-(2-sulfanylethyl)benzamide
+Cc1nc2cc(ccc2n1c3ccc(s3)C(=O)NC4CC4)OC(F)(F)F	O8A	n-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1h-benzimidazol-1-yl]thiophene-2-carboxamide
+Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4ccccc4C	O8B	2-(2-methylphenoxy)-n-[2-(4-methylphenyl)-2h-benzotriazol-5-yl]acetamide
+C/C/1=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C=C1)CC=C)C(C)C)O	O8D	(3r,4r,5e,10e,12e,14s,26ar)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4h,17h)-tetrone
+c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN=[N+]=[N-]	O8G	1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
+c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)Cn4cc(nn4)CNS(=O)(=O)c5ccc(cc5)I	O8H	4-iodo-n-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1h-1,2,3-triazol-4-yl)methyl]benzenesulfonamide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)C)O)/C	O8J	(3r,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4h,17h)-tetrone
+C[C@@H]1/C=C(\CCC(=O)CCCC/C=C/[C@@H]([C@H]1O)OC)/C	O8K	(4z,6r,7s,8s,9e)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
+Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CC(=O)N)O)O)N	O8M	2-[{[(2r,3s,4r,5r)-5-(6-amino-8-methyl-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO	O8N	octacosan-1-ol
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccnc(c4)Br)O)/C	O8P	(2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NCCc5ccc(cc5)Cl)N	O8Q	5-azanyl-~{n}-[[4-[[(2~{s})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccc(cc4)C(F)(F)F)O)/C	O8S	(2r)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NC5CCCCC5)N	O8T	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@@H](C)COC(=O)Nc4cc5ccccc5cn4)O)/C	O8V	(2s)-2-[(3s,4r,5e,10e,12e,14s,26ar)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1h,3h,22h-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
+CC[C@H](C)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4	O8W	5-azanyl-~{n}-[[4-[[(2~{s})-1-[[(2~{s})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CCCCCC=O	O8Y	hexanal
+CC(C)CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4	O8Z	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CCCc1c(ccc2c1onc2C(F)(F)F)OCCCSc3ccc(cc3Cl)CC(=O)O	O90	{3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid
+Cc1ccc(cc1)c2[nH]cc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC	O91	[2-(4-methylphenyl)-1h-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
+CNC(=O)c1c(ncc(n1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3F)F)Cl)N	O92	3-amino-6-{4-chloro-3-[(2,3-difluorophenyl)sulfamoyl]phenyl}-n-methylpyrazine-2-carboxamide
+Cc1c(cc2c(c1NO)sc(n2)C3=N[C@@H](CO3)C(=O)N4CCCC4)C(F)(F)F	O95	{(4s)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone
+CC[C@@H](C(=O)C(=O)N)NC(=O)c1ccc(c(c1Cl)C(F)(F)F)OCc2ccccn2	O96	n-[(1s)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide
+c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NC4CC4	O97	4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
+CCC(CC)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4	O98	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)F)C	O9A	5-ethoxy-2-fluoro-3-methyl-n'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
+CN1CCCC[C@@H]1C(=O)O	O9B	(2~{r})-1-methylpiperidine-2-carboxylic acid
+CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C	O9D	5-ethoxy-2-fluoro-3-methyl-n'-(phenylsulfonyl)benzohydrazide
+CCCn1cc(nn1)CN(C)C(=O)c2cc(c(s2)C)C3=C(CCC3)c4cc(sc4C)C(=O)N(C)Cc5cn(nn5)CC	O9E	~{n}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{n},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3cccn3	O9G	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(1h-pyrazol-1-yl)benzohydrazide
+CC(C)[C@@H](C[C@H](C1NC(=C(S1)CCOCc2ccccc2)C=O)OC(=O)C)[NH2+]C	O9H	[(1~{r},3~{r})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccn3	O9J	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide
+CC(C)[C@@H](C[C@H](c1nc(cs1)C=O)OC(=O)C)NC	O9K	[(1~{r},3~{r})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ncccn3	O9M	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide
+COC(=O)[C@H](C[C@H](Cc1ccccc1)N)N	O9N	methyl (2~{s},4~{s})-2,4-bis(azanyl)-5-phenyl-pentanoate
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OCC=C	O9P	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide
+Cc1cccc(c1)C2=CC(=O)c3c(cc(cc3O2)O)O	O9Q	2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC(C)C	O9S	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
+Cc1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O	O9T	2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one
+CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C	O9V	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-propoxybenzohydrazide
+Cc1nnn(n1)Cc2cc(ccc2/C=C/C(=O)N3CCN(C[C@H]3C)Cc4ccc(cc4)F)Cl	O9W	(~{e})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{r})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one
+Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3nccn3	O9Y	2-fluoro-3-methyl-n'-(phenylsulfonyl)-5-(2h-1,2,3-triazol-2-yl)benzohydrazide
+c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F	O9Z	2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one
+c1cc(cc(c1)Br)C(=O)c2cnc(o2)N	OA1	(2-amino-1,3-oxazol-5-yl)-(3-bromophenyl)methanone
+c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3cnc(o3)N	OA2	2-amino-n,n-bis(phenylmethyl)-1,3-oxazole-5-carboxamide
+CC1(Cc2c(c(ncn2)N)C(=O)C1)C	OA3	4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6h)-one
+Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3	OA4	5-methyl-6-phenylquinazoline-2,4-diamine
+c1ccc(cc1)OCCOc2nc(nc(n2)N)N	OA5	6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
+c1cc(ncc1C(=O)O)O	OA7	6-hydroxypyridine-3-carboxylic acid
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)OC(=O)C)O	OA8	{[(2r,3s,4r,5s,6s)-3-(acetyloxy)-5-acetamido-4,6-dihydroxyoxan-2-yl]methoxy}phosphonic acid
+C(C(=O)C(=O)O)C(=O)[O-]	OAA	oxaloacetate ion
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)OC(=O)C	OAB	{[(2r,3s,4r,5s,6s)-5-acetamido-3,6-dihydroxy-4-(2-oxopropyl)oxan-2-yl]methoxy}phosphonic acid
+CC(Cc1ccccc1O)C(=O)O	OAC	trans-o-hydroxy-alpha-methyl cinnamate
+CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	OAD	2'-o-acetyl adenosine-5-diphosphoribose
+CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C	OAE	(2s,4s)-2-[(r)-{[(2r)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+C(=O)(C(C(C(=O)O)(F)F)(O)O)O	OAF	2,2-difluoro-3,3-dihydroxybutanedioic acid
+c1cc(c(cc1Cl)NCc2cc3c(nc(nc3nc2)N)N)Cl	OAG	6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@H](O3)COP(=O)(O)O)O)N	OAH	9-(2-deoxy-5-o-phosphono-alpha-d-threo-pentofuranosyl)-9h-purin-6-amine
+c1c[nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O	OAI	6-(oxalyl-amino)-1h-indole-5-carboxylic acid
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@@H]3C(=O)O	OAJ	(3r)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid
+c1ccc(cc1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	OAK	n-(phenylcarbonyl)-beta-d-glucopyranosylamine
+c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2=O	OAL	(1,8-dihydroxy-9,10-dioxo-9,10-dihydro-anthracen-2-yl)-acetic acid
+Cc1nnc(n1CCCn2ccnc2)c3cnn(c3N)C	OAM	4-{4-[3-(1h-imidazol-1-yl)propyl]-5-methyl-4h-1,2,4-triazol-3-yl}-1-methyl-1h-pyrazol-5-amine
+CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	OAN	o-(2-acetamido-2-deoxy d-glucopyranosylidene) amino-n-phenylcarbamate
+c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3	OAP	4-(s)-[(1-oxo-7-phenylheptyl)amino]-5-[4-(phenylmethyl)phenylthio]pentanoic acid
+CC(C)NC[C@@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO	OAQ	{(2s)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
+[H]/N=C(/N)\NCCC[C@@H](CO)N	OAR	n-(4-amino-5-hydroxy-pentyl)-guanidine
+CC(=O)OC[C@@H](C(=O)O)N	OAS	o-acetylserine
+CCN(CCn1cccn1)C(=O)Cc2ccc(cc2)Oc3ccc(c(c3)C)C#N	OAV	2-[4-(4-cyano-3-methylphenoxy)phenyl]-n-ethyl-n-[2-(1h-pyrazol-1-yl)ethyl]acetamide
+Cc1c2c(nc(n1)N)N(C(=O)C(=N2)c3c[nH]nc3)C(C)C	OAW	2-amino-4-methyl-8-(1-methylethyl)-6-(1h-pyrazol-4-yl)pteridin-7(8h)-one
+c1cc(ccc1C(=O)NCN(CC2CC2)C=O)Cl	OAX	4-chloranyl-n-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide
+c1ccc(c(c1)COC(=O)O)N=[N+]=[N-]	OAZ	(2-azidophenyl)methyl hydrogen carbonate
+c1ccc(cc1)NS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB1	(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CN(c1ccccc1)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB2	(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-methyl-n-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CN(c1ccccc1Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB3	(1s,2r,4s)-n-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-n-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc(cc1)OC)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB4	(1s,2r,4s)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc(cc1)OC)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB5	(1r,2s,4r)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB6	(1s,2r,4s)-n-(4-chlorophenyl)-n-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB7	(1r,2s,4r)-n-(4-chlorophenyl)-n-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+CCN(c1ccc2ccccc2c1)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O	OB8	(1s,2r,4s)-n-ethyl-5,6-bis(4-hydroxyphenyl)-n-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OB9	(1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-n-phenyl-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+c1ccc(c(c1)C(=O)O)NC(=O)C(=O)O	OBA	2-(oxalyl-amino)-benzoic acid
+c1cc(cc(c1)Br)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OBB	3-bromophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1ccc(c(c1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O)F	OBC	2-fluorophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+Cc1ccc(cc1)C(=O)NCc2cn(nn2)[C@@H](Cc3ccc4ccccc4c3)CC(=O)N=O	OBD	4-methyl-n-({1-[(2s)-1-(naphthalen-2-yl)-4-nitroso-4-oxobutan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide
+C[N@H+]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3cccc(c3)O)C(=O)[O-]	OBE	3-(3-hydroxy-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid
+C([C@@H](C(=O)O)N)C(F)F	OBF	(2s)-2-amino-4,4-difluorobutanoic acid
+c1ccc(cc1)COc2c3c([nH]cn3)nc(n2)N	OBG	6-(benzyloxy)-9h-purin-2-amine
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc(cc5)O)O	OBH	cyclohexa-2,5-dien-1-yl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+c1c[n+](ccc1\C=N\O)COC[n+]2ccc(cc2)\C=N\O	OBI	1,1'-(oxydimethylene)bis(4-formylpyridinium)dioxime
+CC1=C2[C@H]([C@]([C@]3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H]7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO)C)(C)CC(=O)N)CCC(=O)N	OBL	5-methoxybenzimidazolyl-norcobamide
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O)O	OBM	4-bromophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O	OBN	ouabain
+c1ccc(c(c1)c2ccccc2[S@@](=O)O)O	OBP	2'-hydroxy-1,1'-biphenyl-2-sulfinic acid
+CN1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)N)OC)OC)OCO3	OBQ	(3~{s})-7-azanyl-6-methoxy-3-[(5~{r})-4-methoxy-6-methyl-7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{h}-2-benzofuran-1-one
+C1[C@H]([C@H](/C(=N\CCCC[C@@H](C(=O)O)N)/C[S@]1=O)CC(=O)O)CCC(=O)O	OBS	(z)-n^6-[(4s,5r)-5-(2-carboxyethyl)-4-(carboxymethyl)-1-hydroxydihydro-2h-thiopyranium-3(4h)-ylidene]-l-lysine
+c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)Cl)c5ccc(cc5)O)O	OBT	(1s,2r,4s)-n-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-n-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
+Cc1c2cc3[n+]4c(cc5n6c(cc7[n+]8c(cc(c1CCC(=O)O)n2[Fe]648)C(=C7C)CCC(=O)O)[C@@]([C@H]5CCC(=O)O)(C)CC(=O)O)[C@@]([C@H]3CCC(=O)O)(C)CC(=O)O	OBV	12,18-didecarboxy-siroheme
+c1ccc2c(c1)cc(s2)c3cc4c(s3)c(ncn4)SCC(=O)O	OBW	2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid
+CC(=O)Nc1cc2c(cccc2s1)c3ccc(s3)C(=O)NC4CC4	OBY	5-[2-(acetylamino)-1-benzothiophen-4-yl]-n-cyclopropylthiophene-2-carboxamide
+c1ccc(cc1)CON	OBZ	o-benzylhydroxylamine
+[OH2][Ca+2]	OC1	calcium ion, 1 water coordinated
+[OH2][Ca+2][OH2]	OC2	calcium ion, 2 waters coordinated
+[OH2][Ca+2]([OH2])[OH2]	OC3	calcium ion, 3 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])[OH2]	OC4	calcium ion, 4 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])([OH2])[OH2]	OC5	calcium ion, 5 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])[OH2]	OC6	calcium ion, 6 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]	OC7	calcium ion, 7 waters coordinated
+[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]	OC8	calcium ion, 8 waters coordinated
+CCCCCCCCO	OC9	octan-1-ol
+CCCCCCCC(=O)O	OCA	octanoic acid (caprylic acid)
+CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	OCB	octanoylcarnitine
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)OCCCO)O)C	OCC	2alpha-(3-hydroxypropoxy)-1alpha,25-dihydroxyvitamin d3
+CCCCCCCCCCCCCCCCCC=O	OCD	octadecanal
+C(CCCC(=O)O)CCC(=O)O	OCE	octanedioic acid
+Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O)Nc4ccon4	OCG	5-amino-n-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1h-pyrazole-4-carboxamide
+c1ccc2c(c1)C=CC(=O)N2	OCH	quinolin-2(1h)-one
+c1cc(cc(c1)N)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N	OCJ	4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
+CCC[C@@]1(C(=O)Nc2ccccc2C(=O)N1CC)C	OCK	(3~{r})-4-ethyl-3-methyl-3-propyl-1~{h}-1,4-benzodiazepine-2,5-dione
+[OH2][Co+2]	OCL	cobalt ion, 1 water coordinated
+[OH2][Co+2]([OH2])[OH2]	OCM	cobalt ion, 3 waters coordinated
+[OH2][Co+2][OH2]	OCN	cobalt ion, 2 waters coordinated
+[OH2][Co+3]([OH2])([OH2])([OH2])([OH2])[OH2]	OCO	cobalt ion,6 waters coordinated
+CCCCCCCCNC(=O)OC[C@H](CO[P@](=O)(CCCCCCCC)O)OC(=O)NCCCCCCCC	OCP	octyl-phosphinic acid 1,2-bis-octylcarbamoyloxy-ethyl ester
+C1CNC(=O)[C@@H]1C[C@@H](C(=O)CO)N	OCQ	(3s)-3-[(2s)-2-amino-4-hydroxy-3-oxobutyl]pyrrolidin-2-one
+CCCCCC(=O)\C=C\C=C/C\C=C\C\C=C\CCCC(=O)O	OCR	(5e,8e,11z,13e)-15-oxoicosa-5,8,11,13-tetraenoic acid
+C([C@@H](C(=O)O)N)S(=O)(=O)O	OCS	cysteinesulfonic acid
+CCCCCCCC	OCT	n-octane
+CC(C)[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	OCV	n6-[(1r)-2-{[(1r)-1-carboxy-2-methylpropyl]oxy}-1-(mercaptomethyl)-2-oxoethyl]-6-oxo-d-lysine
+Cc1c2c(cc3c(c2O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC	OCW	methyl (6~{a}~{r},7~{s},10~{a}~{r})-3,8,10~{a}-trimethoxy-1-methyl-6~{a},7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7~{h}-tetracene-2-carboxylate
+CCCCC\C=C\C\C=C\C=CC(=O)C\C=C\CCCC(=O)O	OCX	(5e,11e,14e)-8-oxoicosa-5,9,11,14-tetraenoic acid
+C(CSC[C@@H](C(=O)O)N)O	OCY	hydroxyethylcysteine
+c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N	OCZ	(1s)-6-chloro-2,3,4,9-tetrahydro-1h-carbazole-1- carboxamide
+c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCCCN	OD1	4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide
+CSc1ccc(cc1)c2cc3c(s2)c(ncn3)SCC(=O)O	OD2	2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid
+c1cc(c2cc(sc2c1)C(=O)O)c3ccc(s3)C(=O)NCCCN	OD4	4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid
+C[C@@H]1[C@@H]2CC[C@@H]([C@H]2C[C@]3(CC[C@H]([C@@H]3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC	OD8	(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[[(1~{s},3~{r},6~{s},7~{s},8~{r},9~{r},10~{r},11~{r},14~{s})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol
+C1C[C@H](N2C(=O)[C@H](CCC(=O)N2C1)N)C(=O)O	ODA	9-amino-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
+[H]/N=C(/N)\NCCC[C@H]1C(=O)N[C@@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4ccccc4CO)C(=O)N	ODB	(10s,14s,17r)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide
+CCCCC\C=C/C=C/CCCCCCCCC(=O)O	ODD	(10e,12z)-octadeca-10,12-dienoic acid
+CCOC(=O)[C@H]1[C@H]([C@H]2C(=C([C@@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OCC	ODE	diethyl (1r,2s,3r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
+c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C4CC4	ODG	6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
+c1cc(oc1)CNC(=O)c2ccc3c(c2)nccn3	ODH	n-(furan-2-ylmethyl)quinoxaline-6-carboxamide
+C(CCCCO)CCCO	ODI	octane-1,8-diol
+Cc1cc(ccc1NC(=O)c2cnn3c2ccc(c3)OC)NC(=O)c4c5ccccc5n(n4)C	ODJ	n-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1h-indazole-3-carboxamide
+c1ccnc(c1)c2cc([nH]n2)C(=O)O	ODK	3-pyridin-2-yl-1h-pyrazole-5-carboxylic acid
+C[C@H](CCC=C(C)C)CCO	ODM	(3r)-3,7-dimethyloct-6-en-1-ol
+C[C@@H]1[C@@H]2CC[C@H]3[C@@]45CO[C@@]([C@]3([C@@H]2O)C1=O)([C@H]([C@@H]4C(CC[C@@H]5O)(C)C)O)O	ODN	(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14r,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one
+C/C(=N\O)/c1ccc(cc1O)O	ODO	4-[(e)-c-methyl-n-oxidanyl-carbonimidoyl]benzene-1,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC(C(=O)C=C5)C(=O)N)O)O)O)OP(=O)(O)O)N	ODP	4-oxo-nicotinamide-adenine dinucleotide phosphate
+CCC[C@@]1(C(=O)Nc2ccccc2C(=O)N1C)C	ODQ	(3~{r})-3,4-dimethyl-3-propyl-1~{h}-1,4-benzodiazepine-2,5-dione
+CCOc1cc(cc(c1)[C@@H](C)O)c2c(noc2C)C	ODR	(1r)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol
+CN1CCN(CC1)C(=O)O	ODS	4-methylpiperazine-1-carboxylic acid
+CC\C=C/C=C/C=C/CCCCCCCCCC(=O)O	ODT	(11e,13e,15z)-octadeca-11,13,15-trienoic acid
+C([C@H](O)P(=O)(O)O)N	ODV	[(1r)-2-amino-1-hydroxyethyl]phosphonic acid
+C1C[C@]2([C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O)O	ODW	(1~{r},2~{s},3~{s},4~{r},5~{r})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol
+CC1=C([C@@H](Oc2c1cccc2O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O	ODY	(2s)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2h-1-benzopyran-8-ol
+C[C@](CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O	ODZ	2-(4-hydroxyphenyl)-~{n}-[(2~{s})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide
+CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc([nH]2)c3ccccc3	OE1	2-phenyl-n,n-dipropyl-1h-benzimidazole-5-sulfonamide
+c1cc(c(cc1C/C(=N\O)/C(=O)NCCS(=O)(=O)N)Br)O	OE2	psammaplin c
+c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)N4CC(C4)c5cccnc5	OE4	n-{4-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5	OE5	5-azanyl-~{n}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)Cl	OE7	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)Nc5ccc(cc5)F)N	OE8	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O	OEA	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NCc5ccncc5)N	OEB	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+[O@]12[Ca]3[O@]4[Mn]1O5[Mn]2O3([Mn]45)[Mn]	OEC	oxygen evolving system
+COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O)O	OED	[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid
+C[C@](CC(=C)O)(C=O)NC(=O)OC(C)(C)C	OEE	~{tert}-butyl ~{n}-[(2~{s})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate
+CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)CCC(=O)O)Br	OEF	3,5-dibromo-4-(3-isopropyl-phenoxy)benzoic acid
+C(C(=O)O)OCC(=O)O	OEG	2,2'-oxydiacetic acid
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl	OEH	[9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)O	OEJ	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid
+CC1(c2cc(ccc2C(=C3C1=CC(=[N+](C)C)C=C3)c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl)N(C)C)C	OEK	4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid
+CC(C)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1C(=O)[C@H](CO)O)C(=O)O)F)N=[N+]=N	OEL	(6r)-2,6-anhydro-3,4,5-trideoxy-6-[(2s)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien  -2-ium-1-yl-l-gulonic acid
+CN[C@H](CC(=O)O)C(=O)O	OEM	n-methyl-d-aspartic acid
+C[C@H]1C(C(N=C1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2Cn3cnc[n+]3C2	OEN	 biapenem imine hydrolysis product
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C(=O)O	OEP	3-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid
+C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cnc[n+]3C2)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	OEQ	biapenem enamine hydrolysis product
+O1[Mn][O-]23[Mn]14O5[Sr+2]2O6[Mn]5[O+]4[Mn]36	OER	sr-mn4-o5 cluster
+CCCCCCCC[S@@](=O)CCO	OES	n-octyl-2-hydroxyethyl sulfoxide
+C[CH2]	OET	ethyl group
+Cc1ccccc1CCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCc2ccccc2)C(=O)NCc3ccccc3Cl	OEU	n-{(2s)-1-[(2-chlorobenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-n~2~-[3-(2-methylphenyl)propanoyl]-l-threoninamide
+CCCCCCCCN[C@@H]1C=C([C@H]([C@@H]([C@H]1O)O)O)CO	OEV	(1s,2s,3r,6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol
+CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CC=NC3=O)[C@H](C(=O)NC4CC4)O	OEW	~{tert}-butyl ~{n}-[1-[(2~{s})-3-cyclohexyl-1-[[(2~{s},3~{r})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{r})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
+O1[Mn][O@]23[Mn@@]14[O@]5[Ca]2[O@@]6[Mn]5[O@]4[Mn]36	OEX	ca-mn4-o5 cluster
+O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3	OEY	ca-mn4-o6 cluster
+CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)C(=O)NC4CCC4	OEZ	~{n}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide
+[OH2][Fe+2]	OF1	ferrous ion, 1 water coordinated
+O([Fe+3])[Fe+3]	OF2	2 ferric ion, 1 bridging oxygen
+[OH2][Fe+3]	OF3	ferric ion, 1 water coordinated
+c1ccc(c(c1)CNC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O	OF4	2-[({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid
+CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)OC	OF5	1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone
+c1ccc(c(c1)CC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N	OF7	[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid
+CC(=O)c1cc(c2n1cccn2)c3ccccn3	OF8	1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
+c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O	OFB	3-fluorophenyl (1s,2r,4s)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
+C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O)O)F	OFC	4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-l-ribofuranosyl)pyrimidin-2(1h)-one
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4CC(=O)O)C#N	OFD	[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid
+O=[Fe]	OFE	iron(ii) oxide
+c1cc(ccc1\C=C\C(=O)O[C@@H](CC(=O)O)[C@H](C(=O)O)OC(=O)\C=C\c2ccc(cc2)O)O	OFF	2-deoxy-3,4-bis-o-[3-(4-hydroxyphenyl)propanoyl]-l-threo-pentaric acid
+Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F	OFG	3-[(1r)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1h-pyrazol-4-yl)pyridin-2-amine
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl)O[C@@H](C)C(F)(F)F	OFH	(4r)-4-[(2-chloro-4-{[(2s)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-n-{1-[(e)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-l-prolinamide
+CCCC(=O)Nc1c2ccc(cc2[nH]n1)c3ccc(cc3)O	OFI	n-[6-(4-hydroxyphenyl)-1h-indazol-3-yl]butanamide
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)N	OFJ	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid
+CC(=O)c1cc(c2n1cccn2)c3ccccc3	OFK	1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
+c1ccc(c(c1)C(=O)O)Nc2ccccc2C(F)(F)F	OFL	o-trifluoromethylphenyl anthranilic acid
+C[C@@H]1C(=N[C@](O1)([C@H](Cc2ccccc2)N)O)C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O	OFM	[(4z)-2-{(2r,5r)-2-[(1s)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	OFN	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate
+O[Fe]O[Fe]	OFO	hydroxy diiron-oxo moiety
+C1C2CC3CC1CC(C2)C3(CO)N	OFQ	(2-azanyl-2-adamantyl)methanol
+CCN(CC)S(=O)(=O)c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2	OFT	(3z)-n,n-diethyl-3-[(3e)-3-(hydroxyimino)-1,3-dihydro-2h-indol-2-ylidene]-2-oxo-2,3-dihydro-1h-indole-5-sulfonamide
+C[C@@]1(CN(CCO1)S(=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)C(=O)NCC4(C5CC6CC(C5)CC4C6)N	OFW	(2~{r})-~{n}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide
+[H]/N=C(\NCC)/NCC1C2CC3CC(C2)CC1C3	OFZ	1-(2-adamantylmethyl)-3-ethyl-guanidine
+c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C#N	OG1	2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid
+[H]/N=C(\NCC)/NC12CC3CC(C1)CC(C3)C2	OG2	1-(1-adamantyl)-3-ethyl-guanidine
+c1ccc(c(c1)CCC(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N	OG4	3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid
+c1ccc(cc1)[C@@H](CC(=O)NCC2(C3CC4CC(C3)CC2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6=O	OG5	(3~{r})-~{n}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide
+c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)N=C(N4)N	OG7	2-({4-[(2-amino-4-oxo-4,7-dihydro-1h-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid
+[H]/N=C(\N)/NCC12CC3CC(C1)CC(C3)C2	OG8	1-(1-adamantylmethyl)guanidine
+C(C(=O)O)NC(=O)C(=O)O	OGA	n-oxalylglycine
+COC(=O)c1cccc2c1ccnc2	OGB	methyl isoquinoline-5-carboxylate
+c1cc(ncc1Br)NC(=O)NCCO	OGE	1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea
+C(COCC(=O)N)OCC(=O)N	OGG	2-(2-carbamoylmethoxy-ethoxy)-acetamide
+Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@@H]6[C@H](C5)C6N	OGH	4-[(1~{s},5~{r})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{n}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{h}-pyrimido[4,5-b]indol-8-amine
+CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O	OGJ	(2s)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2h-1-benzopyran-6-ol
+CC[C@@H]1C[C@H]2[C@H](CCC2=O)[C@H](C1)C(=O)N[C@]3(C[C@@H]3CC)C(=O)O	OGK	(1s,2s)-2-ethyl-1-({[(3as,4s,6r,7as)-6-ethyl-1-oxooctahydro-1h-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid
+COC(=O)NCCCCc1[nH]c(cn1)CO	OGM	methyl {4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate
+CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	OGN	[(z)-[(3r,4r,5r,6r)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] n-phenylcarbamate
+Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)C3=C4C=CC(=[N+](C)C)C=C4Oc5c3ccc(c5)N(C)C)C(=O)O	OGQ	[9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
+CCCCCCCCc1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O	OGS	4-octylphenyl 6-o-sulfo-alpha-d-glucopyranoside
+CCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O	OGT	2-ethoxy-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
+C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(NCCS)O)O	OGX	2'-deoxy-5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
+c1ccc(cc1)CCCc2[nH]cc(n2)CO	OGY	[2-(3-phenylpropyl)-1h-imidazol-4-yl]methanol
+c1cc(cc(c1)C(F)(F)F)CN	OGZ	[3-(trifluoromethyl)phenyl]methanamine
+[OH-]	OH	hydroxide ion
+c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO	OH1	n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}benzamide
+CO[C@@H](CCc1[nH]cc(n1)CO)c2ccccc2	OH4	{2-[(3s)-3-methoxy-3-phenylpropyl]-1h-imidazol-4-yl}methanol
+C[C@@H](C[C@H](Cc1ccccc1)N)C(=O)O	OH5	(2~{s},4~{r})-4-azanyl-2-methyl-5-phenyl-pentanoic acid
+CC(=O)NCCCCc1[nH]cc(n1)CO	OH7	n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}acetamide
+CC(C)Oc1cc(cnc1)c2ccc3c(c2)c(n[nH]3)C(=O)NCC4CCN(CC4)CCOC	OH8	~{n}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1~{h}-indazole-3-carboxamide
+CCCCCCC(=O)CCCCCCCCC(=O)O	OHA	10-oxohexadecanoic acid
+c1ccc(c(c1)C(=O)N)O	OHB	salicylamide
+C[C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N	OHD	{(4z)-2-[(1s)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CCO	OHE	hydroxyethyl group
+Cc1[nH]cc(n1)CO	OHG	(2-methyl-1h-imidazol-4-yl)methanol
+CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[C@@H](c6cccc7c6cccc7)P(=O)(O)O	OHH	2-[3-({methyl[1-(2-naphthoyl)piperidin-4-yl]amino}carbonyl)-2-naphthyl]-1-(1-naphthyl)-2-oxoethylphosphonic acid
+C1=NC(=O)N=C1C[C@@H](C(=O)O)N	OHI	3-(2-oxo-2h-imidazol-4-yl)-l-alanine
+CCCCc1[nH]cc(n1)CO	OHJ	(2-butyl-1h-imidazol-4-yl)methanol
+CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4	OHK	~{n}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide
+COc1ccc(cc1)S(=O)(=O)[N@@](Cc2ccncc2)CC(=O)NO	OHL	n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]-n~2~-(pyridin-4-ylmethyl)glycinamide
+CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O	OHM	3-oxo-n-[(3s)-2-oxopyrrolidin-3-yl]dodecanamide
+CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O	OHN	n-3-oxo-dodecanoyl-l-homoserine lactone
+C1CCC(CC1)NC(=O)O	OHO	cyclohexane aminocarboxylic acid
+c1ccc(c(c1)CC(=O)O)O	OHP	(2-hydroxyphenyl)acetic acid
+C([C@H](C(=O)O)N)C(=O)OSC(=O)O	OHS	o-(carboxysulfanyl)-4-oxo-l-homoserine
+CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3	OHT	4-hydroxytamoxifen
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)O)COP(=O)(O)O)O	OHU	2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate)
+c1ccc(cc1)COC(=O)NCCCCc2[nH]c(cn2)CO	OHV	benzyl {4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate
+CCCc1c2ccc(cc2[nH]c1[C@H]3CCCCN3CCN4CCOCC4)OC(F)(F)F	OHW	4-[2-[(2~{r})-2-[3-propyl-6-(trifluoromethyloxy)-1~{h}-indol-2-yl]piperidin-1-yl]ethyl]morpholine
+N[Os](N)(N)(N)(N)N	OHX	osmium (iii) hexammine
+CCC(=O)N1CCN(CC1)C2=NC(=O)N(c3c2cc(c(c3)c4c(cccc4F)O)Cl)c5ccccc5C(C)C	OHY	6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1h)-one
+c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F	OHZ	1-(3-chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea
+CCC[C@@H](C(=O)NCCc1ccc(cc1)O)[N+]2=C([C@@H]3Cc4ccccc4CN3C(=O)[C@@H]2Cc5ccc(cc5)O)[O-]	OI1	3-(4-hydroxybenzyl)-2-[1-({[2-(4-hydroxyphenyl)ethyl]amino}carbonyl)butyl]-4-oxo-3,6,11,11a-tetrahydro-4h-pyrazino[1,2-b]isoquinolin-2-ium-1-olate
+C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O	OI7	1,7-di-o-phosphono-beta-d-altro-hept-2-ulofuranose
+c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O	OIA	[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]acetic acid
+C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O	OIC	octahydroindole-2-carboxylic acid
+c1cn(cn1)CCCCCCCCCC(=O)O	OID	10-(1h-imidazol-1-yl)decanoic acid
+CC[C@H](C)[C@@H](C(=O)O)O	OIL	(2s,3s)-2-hydroxy-3-methylpentanoic acid
+CC[C@H](C)[C@@H]([C@@]1(N=C([C@H](O1)C)C2=N/C(=C\c3ccc(cc3)O)/C(=O)N2CC(=O)O)O)N	OIM	[(4z)-2-{(2r,5r)-2-[(1s,2s)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3	OIN	(1r,5s)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2r)-3-hydroxy-2-phenylpropanoate
+c1cn(cn1)CCCCCCCC(=O)O	OIO	8-(1h-imidazol-1-yl)octanoic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O	OIP	2'-deoxy-inosinic acid
+C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)S	OIR	n-(3-phenyl-2-sulfanylpropanoyl)phenylalanylalanine
+Cc1nc(cs1)CN2CCN(C2=O)[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](C[N@](CC(C)C)S(=O)(=O)c4ccc(cc4)\C=N\O)O	OIS	(s)-n-((2s,3r)-3-hydroxy-4-(4-((e)-(hydroxyimino)methyl)-n-isobutylphenylsulfonamido)-1-phenylbutan-2-yl)-3-methyl-2-(3 -((2-methylthiazol-4-yl)methyl)-2-oxoimidazolidin-1-yl)butanamide
+CCC(=O)N1CCN(CC1)c2c3cc(c(cc3c(nn2)c4ccccc4)c5c(cccc5F)O)Cl	OJ1	1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one
+c1ccc(c(c1)CCO)NC(=O)Nc2cccc(c2)OC(F)(F)F	OJ2	1-[2-(2-hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea
+c1cc(ccc1OC[C@H](C[Te]C[C@H](COc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N	OJ4	4-[(2s)-2-hydroxy-3-{[(2r)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide
+c1cc(cc(c1)Cl)c2c[nH]c3c2c(ncn3)N4CCOCC4	OJ5	4-[5-(3-chlorophenyl)-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
+Cc1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl	OJ7	3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1h-indole
+c1ccc(cc1)Oc2ccc3c(c2)CC[C@@H](C3)[C@@H](c4ncc(o4)c5ccccn5)O	OJ8	(s)-[(2s)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol
+CC(C)N1CCN(CC1)CCNC2CCN(CC2)c3cccc(c3)c4cc5cc(ccc5[nH]4)F	OJA	1-(3-(5-fluoro-1h-indol-2-yl)phenyl)piperidin-4-yl)(2-(4-isopropyl-piperazin1-yl)ethyl)-carbamate
+CCC(=O)NCCCNC(=O)CCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C	OJB	5-[(2~{r},3~{r},4~{r},5~{r},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{n}-[3-(propanoylamino)propyl]pentanamide
+c1ccc(cc1)CC[C@@H]2CC(=O)NC2	OJD	(4r)-4-(2-phenylethyl)pyrrolidin-2-one
+c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO	OJG	n-{4-[5-(hydroxymethyl)-1h-imidazol-2-yl]butyl}-2-phenylacetamide
+C[C@H]1CCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)[C@@](NC3=O)(C)C4CC4	OJH	~{n}-[4-bromanyl-3-[(3~{s})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{r})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
+COC(=O)N(CCCCc1[nH]cc(n1)CO)Cc2ccccc2	OJJ	methyl benzyl{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}carbamate
+c1c(c(cc(c1O)Cl)O)CN	OJK	2-(aminomethyl)-5-chloranyl-benzene-1,4-diol
+CCOC(=O)CCc1[nH]cc(n1)CO	OJM	ethyl 3-[4-(hydroxymethyl)-1h-imidazol-2-yl]propanoate
+C=CC(=O)NCCCCc1[nH]cc(n1)CO	OJP	n-{4-[4-(hydroxymethyl)-1h-imidazol-2-yl]butyl}prop-2-enamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C[NH2+]c2conc2O)O	OJQ	[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5cccc(c5)Cl)O[C@H](Cc6ccccc6OC)C(=O)O	OJT	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7C)C(=O)O	OJW	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid
+c1c([nH]c(n1)CCC[C@@H](C(=O)O)N)CO	OJY	5-[5-(hydroxymethyl)-1h-imidazol-2-yl]-l-norvaline
+c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O	OK1	3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7cnccn7)C(=O)O	OK2	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid
+[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)c3ccc(cc3)CN)(O)O	OK3	(4~{r})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
+C[C@@H](C(=O)N[C@@H](CCCc1[nH]c(cn1)CO)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)C	OK4	n-acetyl-l-alanyl-5-[5-(hydroxymethyl)-1h-imidazol-2-yl]-l-norvalyl-l-valinamide
+Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7ccnc(n7)c8ccccc8OC)C(=O)O	OK5	(2~{r})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
+CC(=O)Nc1cccs1	OK7	n-(thiophen-2-yl)acetamide
+c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O	OK8	(2~{s})-2-[[5-azanyl-1-[(2~{r},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid
+C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)\C=C\[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O	OKA	okadaic acid
+COCCOCCOCCOCCOCc1cn(nn1)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	OKD	n-({(1s)-1-carboxy-5-[4-(2,5,8,11,14-pentaoxapentadec-1-yl)-1h-1,2,3-triazol-1-yl]pentyl}carbamoyl)-l-glutamic acid
+COc1cccc(c1O)CO	OKE	2-(hydroxymethyl)-6-methoxy-phenol
+C(CC(=O)O[O-])C(=O)O	OKG	4-peroxy-4-oxobutanoic acid
+c1cc(ccc1c2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)C(=O)O)Cl	OKH	2-(4-chlorophenyl)-1-[(1s)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1h-benzimidazole-6-carboxylic acid
+c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl	OKI	(2s)-2-[2-(4-chlorophenyl)-1h-benzimidazol-1-yl]-n,2-dicyclohexylethanamide
+c1cc(ccc1C[C@@H]([C@@H](C=O)O)N)O	OKJ	(2s,3s)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal
+CCNc1nc(nc(n1)O)NC(C)C	OKM	4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)S)O	OKN	5'-methyl-2'-deoxycytidine-5'-phosphorothioate
+C[C@@H]1CN(C[C@@H](O1)C)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cc(c(nc5)OC)NS(=O)(=O)C	OKO	n-[5-[4-(5-{[(2r,6s)-2,6-dimethyl-4-morpholinyl]methyl}-1,3-oxazol-2-yl)-1h-indazol-6-yl]-2-(methyloxy)-3-pyridinyl]methanesulfonamide
+B(CCCCCNCCCN)(O)O	OKP	{5-[(3-aminopropyl)amino]pentyl}boronic acid
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)S)O	OKQ	2'-o-methylcytidine-5'-phosphorothioate
+C(CCCC(=O)NO)CCCN	OKS	8-amino-n-hydroxyoctanamide
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)S)O	OKT	2'-o-methyluridine-5'-phosphorothioate
+CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F	OKV	1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1h-indol-1-yl]ethan-1-one
+CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(F)(F)F	OKY	1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1h-indol-1-yl]ethan-1-one
+CCCNS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O	OKZ	4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{n}-propyl-benzenesulfonamide
+c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccccn3)(O)O	OL1	7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
+CCOc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N	OL2	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid
+CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1	OL3	n-biotin-c-co4(mu3-o)4(oac)(py)4(h2o)3-beta-alanine
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)[O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])NC(=O)N2	OL4	n-biotin-c-co4(mu3-o)4(py)3(h2o)4-beta-alanine
+CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])[N]1=CC=CC=C1	OL5	n-biotin-c-co4(mu3-o)4(oac)(py)3(h2o)3-beta-alanine
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C6CCCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C	OL7	methyl [(1s)-1-cyclohexyl-2-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate
+c1cc(cc(c1)N2C(=O)C=CC2=O)NC(=O)c3ccco3	OL8	~{n}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide
+CCCCCCCC\C=C/CCCCCCCC(=O)O	OLA	oleic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O	OLB	(2s)-2,3-dihydroxypropyl (9z)-octadec-9-enoate
+CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O	OLC	(2r)-2,3-dihydroxypropyl (9z)-octadec-9-enoate
+c1cc(ccc1C(=O)Cn2cncc2C[C@@H](C(=O)O)N)Br	OLD	3-[2-(4-bromophenyl)-2-oxoethyl]-l-histidine
+CC(C)C[C@@H](C(=O)O)O	OLE	2-hydroxy-4-methyl-pentanoic acid
+Cc1cc(ccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)C(=O)O	OLF	4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid
+CCCCCCCC\C=C/CCCCCCCC(=O)O	OLI	oleic acid
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6C[C@H]7C[C@H]7C6)C(=O)NS(=O)(=O)C8(CC8)C	OLJ	(1r,3r,5s)-bicyclo[3.1.0]hexan-3-yl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)O)C(C)(C)O	OLM	olmesartan
+CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O	OLN	(s)-2-acetamido-5-ureidopentanoic acid
+Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO	OLO	olomoucine
+CC(C)n1cnc\2c1NC(=N/C2=N\c3cccc(c3)Cl)NCCO	OLP	2-(2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
+COc1ccc(c(c1F)C(=O)N)F	OLQ	2,6-difluoro-3-methoxybenzamide
+C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)([O])[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1)([N]1=CC=CC=C1)[O])NC(=O)N2	OLS	n-biotin-c-co4(mu3-o)4(py)4(h2o)4-beta-alanine
+C[C@H]([C@@H](C(=O)O)N)OC	OLT	o-methyl-l-threonine
+c1cc2c(cc1O)sc(n2)C3=NC(=O)CS3	OLU	2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5h)-one
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCCC6)C(=O)NS(=O)(=O)C7(CC7)C	OLV	cyclohexyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate
+c1cc(cc(c1)C#N)CNCCc2ccnc(n2)n3ccnc3	OLW	3-[({2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile
+Cc1c(nc2c(n1)CC=C(C2)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)C6(CCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C	OLY	methyl (1-{[(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate
+C(COC[C@@H](C(=O)O)N)N	OLZ	o-(2-aminoethyl)-l-serine
+COc1ccc(cc1)CNC(=O)c2ccccc2C[NH2+]Cc3ccc4c(c3C(=O)O)OCO4	OM1	(4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]azanium
+CC[C@H](C)NC(=O)c1ccccc1C[N@@H+](C)Cc2ccc3c(c2C(=O)O)OCO3	OM2	(r)-[2-[[(2s)-butan-2-yl]carbamoyl]phenyl]methyl-[(4-carboxy-1,3-benzodioxol-5-yl)methyl]-methyl-azanium
+C[N@H+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCO4	OM3	(r)-(4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl]-methyl-azanium
+COc1ccc(cc1Cl)c2ccc(c(c2)Cl)Cl	OM4	1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene
+CC[C@H](C)[C@@H](C(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C)NC(=O)C	OM7	(2r,6s,12z,13as,14ar,16as)-6-[(n-acetyl-l-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-n-[(1-methylcyclo propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl opentadecine-14a(5h)-carboxamide
+c1cc(cc(c1)Cl)COc2ccc(c(c2F)C(=O)N)F	OM8	3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide
+CCC/C=C/C[C@H]1C[C@H]1CCCCCCCCCC(=O)O	OMA	10-{(1r,2r)-2-[(2e)-hex-2-en-1-yl]cyclopropyl}decanoic acid
+[CH2][O]	OMB	oxymethylene bridging group
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O	OMC	o2'-methylycytidine-5'-monophosphate
+c1cc(c(cc1O)CC(=O)O)O	OMD	2-(3,6-dihydroxyphenyl)acetic acid
+C[O]	OME	methoxy group
+COc1ccc(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl	OMF	1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O	OMG	o2'-methylguanosine-5'-monophosphate
+CO[P@](=O)(O)OC[C@@H](C(=O)O)N	OMH	o-[(s)-hydroxy(methoxy)phosphoryl]-l-serine
+CN1CC(=O)c2c1cccc2	OMI	1-methyl-1,2-dihydro-3h-indol-3-one
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@H]3C(=O)O	OMJ	(3s)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid
+Cc1ccccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F	OMK	(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexyl-n-(2-methylphenyl)ethanamide
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5F)C(=O)O)F)F)Cl	OMM	4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid
+Cn1c(c(c(n1)c2cc(c(cc2F)Cl)C(=O)O)Br)C(F)(F)F	OMN	4-bromo-3-(5'-carboxy-4'-chloro-2'-fluorophenyl)-1-methyl-5-trifluoromethyl-pyrazol
+O[Mo+6](=O)O	OMO	mo(vi)(=o)(oh)2 cluster
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O	OMP	orotidine-5'-monophosphate
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	OMR	[(2s,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCC6)C)C(=O)NS(=O)(=O)C7(CC7)C	OMS	1-methylcyclobutyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CS(=O)(=O)CC[C@@H](C(=O)O)N	OMT	s-dioxymethionine
+CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	OMU	o2'-methyluridine 5'-monophosphate
+CCC1(CCCC1)OC(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)Oc5c(nc6ccc(cc6n5)OC)C)C(=O)NS(=O)(=O)C7(CC7)C	OMV	1-ethylcyclopentyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+c1cc(cc(c1)C(F)(F)F)COc2ccc(c(c2F)C(=O)N)F	OMW	2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
+c1cc(ccc1[C@H]([C@@H](C(=O)O)N)O)O	OMX	(betar)-beta-hydroxy-l-tyrosine
+c1cc(c(cc1[C@H]([C@@H](C(=O)O)N)O)Cl)O	OMY	(betar)-3-chloro-beta-hydroxy-l-tyrosine
+c1cc(c(cc1[C@H]([C@H](C(=O)O)N)O)Cl)O	OMZ	(betar)-3-chloro-beta-hydroxy-d-tyrosine
+c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)CN)O)O)N)O)O)N)N)N)O	ON0	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-o-benzylidene-2-deoxy-alpha-d-glucopyranoside
+c1cc(c(cc1Cc2nc(c(c(n2)O)O)C(=O)O)Cl)Cl	ON1	2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
+Cc1c(c(c([nH]1)C(=O)Nc2nc3ccc(cc3s2)NC(=O)CCN)Cl)Cl	ON2	n-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1h-pyrrole-2-carboxamide
+Cc1c(cc(cc1OC)[C@H]([C@H](COc2ccc(cc2)C3(CC3)C(=O)O)OC4Cc5ccccc5C4)O)OC	ON3	1-(4-{[(2s,3r)-2-(2,3-dihydro-1h-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan ecarboxylic acid
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C	ON4	1-methylcyclopropyl [(2r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O)O	ON5	(z)-7-[(1r,2r,3r,5r)-5-chloranyl-3-oxidanyl-2-[(e,3s)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
+c1cc(c(c(c1)Cl)CS(=O)(=O)c2ccc3c(c2)NC(=O)/C(=C/c4ccc(c(c4)[N](=O)O)O)/S3)Cl	ON6	(2~{z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{h}-1,4-benzothiazin-3-one
+Cc1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CC(=O)O)O)OC	ON7	{1-[(2s,3s)-2-(2,3-dihydro-1h-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1 h-pyrrol-3-yl}acetic acid
+[H]/N=C(/N)\NOCC[C@@H](C=O)N	ON8	1-[(3~{s})-3-azanyl-4-oxidanylidene-butoxy]guanidine
+CC(=O)c1c(cc(cc1OC)[C@H]([C@@H](CC2Cc3ccccc3C2)Cn4cc(c(c4)C(=O)OC)CCC(=O)O)O)OC	ON9	3-{1-[(2s,3s)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1h-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1h-pyrrol-3-yl}propanoic acid
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	ONA	3'-o-[2-(methylamino)benzoyl]adenosine 5'-(tetrahydrogen triphosphate)
+c1ccc2c(c1)C=Cc3ccccc3N2	ONB	5h-dibenzo[b,f]azepine
+Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5	ONC	7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4h)-one
+c1ccc(c(c1)CNC(=O)c2ccc(s2)c3cccc4c3cc(s4)C(=O)N)N	OND	4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide
+C1=CN(C=CC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	ONE	1-(beta-d-ribofuranosyl)-pyridin-4-one-5'-phosphate
+c1ccc2c(c1)CN(C2)C(=O)c3ccc(c(c3)Sc4ccc5c(c4)OCCO5)O	ONG	{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2h-isoindol-2-yl)methanone
+C(C[C@@H](C(=O)O)N)CNO	ONH	n~5~-hydroxy-l-ornithine
+Cc1ccc(cc1C)Sc2cc(ccc2O)C(=O)N3Cc4ccccc4C3	ONJ	(1,3-dihydro-2h-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H](C(=C)C)O	ONK	n-hexanoyl-l-valyl-n~1~-[(3s,4s)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide
+CC(=O)CC[C@@H](C(=O)O)N	ONL	5-oxo-l-norleucine
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	ONM	3'-o-(n-methylanthraniloyl)-guanosine-5'-triphosphate
+c1ccc(c(c1)CC(=O)O)CNC(=O)[C@@H]2CSSCC[C@@H](C(=O)N[C@H](CC(=O)N2)Cc3ccc(cc3)O)N	ONN	2-[2-[[[(4~{r},8~{s},11~{s})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid
+CC(C)(C)[C@@H](C=O)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc(cc3)C(N)N)OC	ONO	2-[2-({[4-(diaminomethyl)phenyl]amino}carbonyl)-6-methoxypyridin-3-yl]-5-{[(1-formyl-2,2-dimethylpropyl)amino]carbonyl}benzoic acid
+[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccccc1[N+](=O)[O-])(F)(F)F	ONP	o-nitrophenyl aminoethyldiphosphate beryllium trifluoride
+COc1ccc(cc1)C(=O)NCC(=O)N	ONQ	~{n}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide
+c1cc(c(cc1Cl)c2ccno2)O	ONR	4-chloro-2-isoxazol-5-yl-phenol
+Cn1c2ccc(c(c2cc1C(=O)NC3(COC3)c4ccc(cc4)[C@@H](c5cccnc5)C(=O)O)Cl)Cl	ONS	(2s)-(4-{3-[(4,5-dichloro-1-methyl-1h-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid
+C[C@@H](COCCOC)N	ONT	(2~{s})-1-(2-methoxyethoxy)propan-2-amine
+c1cc(ccc1[C@@H](CO)NC(=O)c2cc3cc(c(cc3[nH]2)OC[C@@H]4CNC(=O)O4)Cl)C(=O)O	ONV	4-{(1s)-1-[(5-chloro-6-{[(5s)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1h-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid
+C[C@H](CO[C@H](C)COCCOC)N	ONW	(2~{r})-1-[(2~{r})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine
+CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@H](C=CCCCCCCCCCCCCCCC)O	ONX	n-[(2r,3s)-3-oxidanylicos-4-en-2-yl]icosanamide
+Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N(C)CCc3nc(on3)C	ONY	2-[4-(4-cyano-3-methylphenoxy)phenyl]-n-methyl-n-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
+c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O	ONZ	2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid
+Cc1ccc(cc1)NC(=O)O	OO1	(4-methylphenyl)carbamic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4	OO2	[(2~{r},3~{s},4~{r},5~{r})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid
+COC(=O)N[C@@H](C1CC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OO4	methyl [(1s)-1-cyclopropyl-2-({(2s,3s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
+c1c2c(nc(nc2n(n1)[C@H]3[C@@H]([C@@H]([C@H](O3)COCP(=O)(O)O)O)O)Cl)NC4CCCC4	OO5	[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid
+Cc1c2nc(c(n2ccn1)NC(=O)NCc3cc(ccc3OC(F)(F)F)COC)c4ccccc4	OO7	n-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-n'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
+c1ccc(cc1)CNC(=O)COc2ccccc2P(=O)(O)O	OO8	[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid
+CCCCCC(=O)CC(=O)O	OOA	3-oxooctanoic acid
+c1ccc(cc1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	OOB	5'-o-[(r)-(benzoyloxy)(hydroxy)phosphoryl]adenosine
+CCCCCCCCS[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	OOC	octyl 4-o-beta-d-allopyranosyl-1-thio-beta-d-altropyranoside
+CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)COC(=O)c3ccc(cc3)n4cnnn4	OOD	2-[(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)amino]-2-oxoethyl 4-(1h-tetrazol-1-yl)benzoate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5F)n6cnc7c6N=C(NC7=O)N)O)F)N	OOE	2',2'-difluoro-3',3'-cgamp
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5ccc(cc5)C(=O)O)F)F)Cl	OOF	4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
+C(CC(=O)C(=O)O)CC(=O)O	OOG	2-oxoadipic acid
+CCCCC(=O)C1=C(C(=O)c2c(c(cc(c2O)O)O)C1=O)O	OOH	3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione
+CC1=CN2C(=NC(=CC2=O)CSc3nnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F)C=C1	OOJ	n-(5-{[(7-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-n'-[3-(trifluoromethyl)phenyl]urea
+c1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5c(cc(cc5F)C(=O)O)F)F)F)Cl	OOK	4-({(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-1h-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid
+CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)CSc3nnnn3c4ccc(cc4)O	OOM	n-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1h-tetrazol-5-yl]sulfanyl}acetamide
+CCOC(=O)[C@H](CC(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOO	ethyl (2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)[C@H](CO)C(=C)CCO[P@](=O)(O)OP(=O)(O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	OOP	1-deoxy-1-[(4ar)-4a-[(2r)-1-hydroxy-5-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+CC(C)C[C@@H](C(=O)[O-])[NH2+]C1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOQ	(2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate
+CC(C)C[C@@H](C(=O)N)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOS	(2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide
+CC(C)C[C@@H](C(=O)NC)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOU	(2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{n},4-dimethyl-pentanamide
+CC(C)C[C@@H](C(=O)N(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	OOV	(2~{s})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{n},~{n},4-trimethyl-pentanamide
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)COP(=O)(O)O)O)OC(=O)C	OOW	{[(2r,3s,4r,5s,6r)-5-acetamido-3-hydroxy-4-(2-oxopropyl)-6-(phosphonooxy)oxan-2-yl]methoxy}phosphonic acid
+c1ccc(cc1)Oc2cccc(c2)C(=O)Nc3ccc(cc3N4CCOCC4)N5CCOCC5	OOY	n-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide
+CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)O)C)\C	OOZ	(1~{r},9~{s},12~{s},13~{r},14~{s},17~{r},18~{e},21~{s},23~{s},24~{r},25~{s},27~{r})-17-ethyl-25-methoxy-12-[(~{e})-1-[(1~{r},3~{r},4~{r})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NOCCN	OP0	(2s,5r)-n-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N1[C@H](CCC1=O)C(=O)O	OP1	1-[(1s)-4-carbamimidamido-1-carboxybutyl]-5-oxo-d-proline
+C(COCCOCCOCCOCCOCC(=O)O)O	OP2	2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid
+CC(C)N(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C)F	OP4	5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-n,n-di(propan-2-yl)benzamide
+C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC(=O)C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC	OP5	(1~{r},9~{s},12~{s},13~{r},14~{s},17~{r},18~{e},21~{s},23~{s},24~{r},25~{s},27~{r})-23,25-dimethoxy-12-[(~{e})-1-[(1~{r},3~{r},4~{r})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone
+COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OP7	methyl [(1s)-1-cyclopentyl-2-({(2s,3s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
+CC[C@@H]1[C@@H]2[C@](O2)(C[C@@H](C[C@@H]([C@@H]3[C@H](C[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C)O)C)OC)OC)C)C	OP8	(1ar,3r,5s,6r,7s,9r,10r,17as,20s,21r,22s,25r,25ar)-25-ethyl-10,22-dihydroxy-20-{(1e)-1-[(1r,3r,4r)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2h-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1ah,14h)-tetrone
+C1COCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O	OPA	2-(oxalyl-amino)-4,7-dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid
+CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3	OPB	4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
+CCCCCCCCC\C=C/CCCCCCC(=O)OC[C@](C)(CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C\CCCCCCCCC	OPC	(7r,17e)-4-hydroxy-n,n,n,7-tetramethyl-7-[(8e)-octadec-8-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-17-en-1-aminium 4-oxide
+CCC=CC[C@@H]1[C@@H](C=CC1=O)CCCCCCCC(=O)O	OPD	9r,13r-12-oxophytodienoic acid
+C(COP(=O)(O)O)N	OPE	phosphoric acid mono-(2-amino-ethyl) ester
+CCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O	OPF	(2s)-2-[[(2s)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
+C1[C@@H]([C@H]([C@@H]([C@]2([C@@H]1O2)CO)O)O)O	OPG	oxiranpseudoglucose
+COC(=O)[C@H](Cc1ccccc1)O	OPH	2-hydroxy-3-phenyl-propionic acid methyl ester
+CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCO)O	OPI	pantothenyl-aminoethanol-11-pivalic acid
+COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OPJ	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate
+CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCNC(=O)OCc1ccc(cc1)[N+](=O)[O-])N	OPK	(2~{s})-2-[[(2~{s})-2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid
+C[C@H]([C@H](C=O)O)C(O)O	OPL	(2r,3r)-2,4,4-trihydroxy-3-methylbutanal
+CCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	OPM	pentyl alpha-d-mannopyranoside
+c1cc2c(nc1)NC(=O)C(=C2)CC(=O)N(CC[NH3+])CC(=O)O	OPN	{(2-amino-ethyl)-[2-(2-oxo-1,2-dihydro-[1,8]naphthyridin-3-yl)-acetyl]-amino}-acetic acid
+c1ccc(c(c1)[N+](=O)[O-])O	OPO	o-nitrophenol
+C1=CC(=O)N(C1=O)COCN2C(=O)C=CC2=O	OPP	1-[pyrrol-1-yl-2,5-dione-methoxymethyl]-pyrrole-2,5-dione
+CCCCNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)Cc1ccc2ccccc2c1)O	OPQ	((3s,4s)-4-((2s,3s)-2-(2-(napthalen-6-yl)acetamido)-3-methylpentanamido)-n-butyl-3-hydroxy-6-methylheptanamide)
+[H]/N=C(\N)/NCCC[C@@H](C(=O)CCC(=O)O)N	OPR	(5s)-5-amino-8-carbamimidamido-4-oxooctanoic acid
+C(CSC(=O)CC[S-])C=O	OPS	3-oxo-3-[(3-oxopropyl)sulfanyl]propane-1-thiolate
+c1ccc(cc1)CCNC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CCCNC(N)N)NC(=O)[C@H](CSCc3ccccc3)NC(=O)Cc4ccc(cc4)c5ccccc5	OPT	s-benzyl-n-(biphenyl-4-ylacetyl)-l-cysteinyl-n~5~-(diaminomethyl)-d-ornithyl-n-(2-phenylethyl)-l-tyrosinamide
+C[C@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O	OPV	~{n}-[(4~{s},5~{s})-2-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide
+CC(=O)Nc1cc(cnc1)c2nc3cc(ccc3s2)OC	OPW	~{n}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide
+C1CCC(CC1)NCC2(C[C@H]([C@H](C2)O)O)S(=O)(=O)O	OPX	(1s,3r,4s)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid
+C1CCN(CC1)C(=O)[C@H](CCN)N	OPY	(3s)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine
+C[C@@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O	OPZ	~{n}-[(4~{s},5~{r})-2-[2-(1~{h}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide
+CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)C(F)F)O)O	OQ1	(3ar,5s,6s,7r,7ar)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d][1,3]thiazole-6,7-diol
+CCC(=O)N1CC[C@H](C1)Nc2nccc(n2)Oc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)CC	OQ2	~{n}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{r})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
+CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O	OQ5	20-[[(2~{s})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid
+COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OQ7	methyl [(1s)-1-cyclopentyl-2-({(2s,4s,5s)-5-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
+CCC(=O)N1CC[C@@H](C1)Nc2nccc(n2)Oc3cc(ccc3C)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)CC	OQ8	~{n}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{s})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
+CC[C@@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQA	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+c1ccc2c(c1)ncc(n2)Nc3ccc(cc3)C(=O)NCc4ccc(cn4)C(=O)N[C@@H](CC(=O)O)C=O	OQB	4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid
+c1cc(c(cc1CN)Cl)c2ccoc2	OQC	[3-chloranyl-4-(furan-3-yl)phenyl]methanamine
+CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQD	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+c1ccc(cc1)CCNC(=O)COc2ccccc2P(=O)(O)O	OQE	[2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQG	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+CCNC(=O)CCC(=O)c1ccccc1	OQH	~{n}-ethyl-4-oxidanylidene-4-phenyl-butanamide
+COc1ccc(cc1NC(=O)Nc2ccc3c(c2)sc(n3)NC(=O)c4ccccc4)Cl	OQJ	n-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide
+Cc1c(c(n2c(n1)nc(n2)c3cccnc3)C)CC(=O)Nc4cccc(c4)C(F)(F)F	OQM	2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-n-[3-(trifluoromethyl)phenyl]acetamide
+CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N=C(NC3=O)N	OQN	6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O	OQP	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3s,5s)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate
+CNc1[nH]c2cc3c(c(c2n1)CCc4ccc(cc4)C(F)(F)F)NC(=NC3=O)N	OQQ	6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CC(C)NC[C@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO	OQR	{(2r)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
+COc1ccc(cc1)n2c3c(cn2)C(=O)N(C=N3)CC(=O)Nc4cc(ccc4Cl)C(F)(F)F	OQS	n-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5h-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
+c1ccc2c(c1)CC=C[C@@H]2Nc3c(cc(c(c3S(=O)(=O)N)F)F)F	OQT	2-[(1s)-1,2,3,4-tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQV	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3s,5s)-3-hydroxy-5-{[n-(methoxycarbonyl)-3-methyl-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+c1c(c(c(c(c1F)F)S(=O)(=O)N)NC2CCCCCCC2)F	OQW	2-(cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide
+CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	OQY	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-3-methyl-l-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(s3)Cl)N	OQZ	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)C	OR1	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
+c1ccc(cc1)COc2ccc3c(c2)occ3CC(=O)O	OR4	[6-(benzyloxy)-1-benzofuran-3-yl]acetic acid
+C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O	OR5	open form of ribofuranose-5'-phosphate
+CN(CCOC)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl	OR7	2-chloro-n-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide
+Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3c(nn(c3Cl)C)C	OR8	2-chloro-n-[[4-(3,5-dimethylisoxazol-4-yl)phenyl]methyl]-1,4-dimethyl-1h-pyrazole-4-sulfonamide
+CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O	OR9	(6ar)-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-10,11-diol
+c1ccc(cc1)/N=N/c2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O	ORA	7-hydroxy-8-[(e)-phenyldiazenyl]naphthalene-1,3-disulfonic acid
+Cc1c(c(on1)C)S(=O)(=O)N[C@H](C)c2ccc(cc2)c3cc(cnc3Cl)F	ORB	n-{(1r)-1-[4-(2-chloro-5-fluoropyridin-3-yl)phenyl]ethyl}-3,5-dimethylisoxazole-4-sulfonamide
+Cc1c(c(on1)C)c2ccc(cc2)[C@@H](C)NS(=O)(=O)c3c(noc3C)C	ORC	(r)-n-[1-[4-(3,5-dimethylisoxazol-4-yl)phenyl]ethyl]-3,5-dimethylisoxazole-4-sulfonamide
+C(C[C@H](C(=O)O)N)CN	ORD	d-ornithine
+c1cc(c(cc1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C=C3Oc4c2cc(c(c4)O)F)F	ORE	4-(2,7-difluoro-6-hydroxy-3-oxo-3h-xanthen-9-yl)isophthalic acid
+C1CCC(CC1)Nc2nc(nc(n2)N3CCNCC3)C#N	ORG	4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
+c1cc(cc(c1)N2C(=O)N(C(=O)C(=N2)C#N)CCCN3CCCCC3)C(F)(F)F	ORH	3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
+c1ccc2c(c1)c(ccc2O)/N=N/c3ccc(cc3)S(=O)(=O)O	ORI	4-[(e)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
+CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F	ORJ	2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-n-methylacetamide
+C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O	ORK	(2~{s})-2-[[(2~{s})-4-methyl-2-[[oxidanyl-[(1~{s})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid
+CC(C)NS(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl	ORM	2-chloro-n-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide
+C(C[C@@H](C(=O)O)N)CN	ORN	l-ornithine
+C1=C(NC(=O)NC1=O)C(=O)O	ORO	orotic acid
+C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O	ORP	2-deoxy-5-phosphono-ribose
+CC(=O)NCCC[C@@H](C(=O)O)N	ORQ	n~5~-acetyl-l-ornithine
+CC12C3([Rh]145(C2(C4(C53C)C)C)(Cl)Cl)C	ORS	dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium
+C(CC(=O)NN)[C@@H](C=O)N	ORT	(4~{s})-4-azanyl-5-oxidanylidene-pentanehydrazide
+C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC	ORV	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,4s,5s)-4-hydroxy-5-{[n-(methoxycarbonyl)-l-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+[H]/N=C\N(C)N(C)C(=O)[C@H](CC(C)C)NC(=O)NCc1ccccc1	ORW	1-[(2~{s})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCCN)C(=O)O)O	ORX	n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-d-ornithine
+[Os+3]	OS	osmium ion
+c1ccc2c(c1)c3c4c(c5c6c3n2[Ru]7([N]6=CC(=C5)N)(NCC8=[N]7C=CC=C8)(C#O)Cl)C(=O)NC4=O	OS1	ruthenium octasporine
+C#CCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	OS2	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol
+C#CCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	OS3	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol
+[Os+4]	OS4	osmium 4+ ion
+c1ccc(cc1)Cn2cc(nn2)CCCSC[C@H]3CN(C[C@@H]3O)Cc4c[nH]c5c4ncnc5N	OS5	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1h-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol
+CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N	OS6	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1h-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N	OS7	7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3CCCc4c3cc(cc4)OC	OS8	(4~{r})-~{n}-[3-(7-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
+c1cc2c(cc1N)cc(c(c2O)/N=N/c3ccc4c(c3)cc(cc4O)S(=O)(=O)O)S(=O)(=O)O	OSA	7-amino-4-hydroxy-3-[(e)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
+c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O	OSB	2-succinylbenzoate
+c1ccc(cc1)C[C@H](C(=O)N2[C@H]3C[C@@H](CC[C@H]3C[C@H]2C(=O)NCCC4=CCN(C4)C(=N)N)O)NC(=O)[C@@H](Cc5ccccc5)O	OSC	(2r,3as,6r,7as)-n-(2-{1-[amino(imino)methyl]-2,5-dihydro-1h-pyrrol-3-yl}ethyl)-6-hydroxy-1-{n-[(2s)-2-hydroxy-3-phenylpropanoyl]phenylalanyl}octahydro-1h-indole-2-carboxamide
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N	OSD	7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine
+C([C@@H](C(=O)O)N)OS(=O)(=O)O	OSE	o-sulfo-l-serine
+CCCCCCCCOS(=O)(=O)[O-]	OSF	octyl sulfate
+CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C	OSG	7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine
+CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C	OSJ	7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine
+C([C@H](C(=O)O)O)OS(=O)(=O)O	OSL	(2r)-2-hydroxy-3-(sulfooxy)propanoic acid
+C(N)[S@@H]=O	OSM	1-(oxidosulfanyl)methanamine
+C[C@@H]1CC(=O)Nc2cccc(c2N1)/C=C/CCCN3CCCc4c3cc(cc4)OC	OSN	(4~{r})-6-[(~{e})-5-(7-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
+c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N	OSP	sulthiame
+C[C@@H]1C(=O)Nc2cccc(c2N1)C(=O)NCC(CN3CCCc4c3cccc4)(F)F	OSQ	(3~{r})-~{n}-[3-(3,4-dihydro-2~{h}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-quinoxaline-5-carboxamide
+C(CCC(=O)O)C[C@@H](CCSCN)SSCCO	OSS	6-(hydroxyethyldithio)-8-(aminomethylthio)octanoic acid
+CO\C=C(/c1ccccc1\C=C\c2ccccc2)\C(=O)OC	OST	methyl (2z)-3-methoxy-2-{2-[(e)-2-phenylvinyl]phenyl}acrylate
+CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	OSU	n-octanoylsucrose
+CC(C)Oc1ccc2c(c1)C3=C4C(C5=CC(=CN6C5=C3N2[Ru]678(S9CCS7CCS8CC9)NC#S)F)C(=O)NC4=O	OSV	ruthenium octasporine 4
+B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCCS(=O)(=O)N)CCCS(=O)(=O)N	OSW	metala-carborane di-propyl-sulfonamide
+Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N	OSY	7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine
+c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N5CCNCC5)N	OSZ	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CC12C3([Ir]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C	OT1	2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole
+c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O	OT2	7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{h}-naphthalene-1,3-disulfonic acid
+Cc1cc(nc2c1ccc(c2)c3cccc(c3)CCN)N	OT4	7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
+CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl	OT5	1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone 
+c1ccc(cc1)Oc2ccc(cc2)n3cc(nn3)CNc4ccnc(c4)C(F)(F)F	OT8	~{n}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
+C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O	OTA	2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid
+CC(C)(C)OC(=O)O	OTB	tertiary-butoxyformic acid
+C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@@H]31)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O	OTC	oxytetracycline
+C1=C(NC(=O)N[C@H]1C(=O)O)C(=O)O	OTD	2-oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylic acid
+CCCCCCCCOCCOCCOCCOCCO	OTE	2-{2-[2-(2-octyloxy-ethoxy)-ethoxyl]-ethoxy}ethanol
+c1ccc(cc1)[C@@H]2[C@H]([C@@]2(C(=O)NO)F)c3ccc(cc3)c4ncc(cn4)F	OTF	(1s,2s,3s)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-n-oxidanyl-3-phenyl-cyclopropane-1-carboxamide
+Cc1ccccc1C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O	OTG	2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-d-glucopyranose
+C[C@H]([C@@H](C(=O)O)NC)OC	OTH	n,o-dimethyl-l-threonine
+COC(=O)Nc1ccc(cc1)c2c([nH]c(n2)CNC(=O)CCc3cc(ccc3N4C=NNN4)Cl)Cl	OTJ	methyl n-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1h-imidazol-4-yl]phenyl]carbamate
+CCCC(=O)O[C@H]1C[C@]([C@H]2C[C@H]([C@@H]([C@H]2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C	OTK	(3s,3ar,4s,6s,6as,8r,9r,9ar,9bs)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2z)-2-methylbut-2-enoate
+c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)c3[nH]nnn3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	OTM	(2s)-2-[[(e)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-n-[4-(1h-1,2,3,4-tetrazol-5-yl)phenyl]propanamide
+c1ccc(c(c1)[N+](=O)[O-])S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	OTN	2-nitrophenyl 1-thio-beta-d-galactopyranoside
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C	OTP	(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl trihydrogen diphosphate
+c1cc(oc1[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2)[N+](=O)[OH-]	OTQ	(2~{s})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{h}-[1]benzothiolo[2,3-d]pyrimidin-4-one
+c1cc(ccc1[C@H](CN)O)O	OTR	4-(2r-amino-1-hydroxyethyl)phenol
+c1cc(ccc1[C@@H](CN)O)O	OTS	4-(2s-amino-1-hydroxyethyl)phenol
+C/C=C/C=C/C=C/C(=O)O	OTT	(2e,4e,6e)-octa-2,4,6-trienoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O	OTU	3-o-alpha-d-glucopyranosyl-d-fructose
+Cc1cc(nc2c1cc(cc2)N)N	OTW	4-methylquinoline-2,6-diamine
+c1cc(c(cc1O)O)C[C@@H](C(=O)O)N	OTY	2-hydroxy-l-tyrosine
+c1c(nc(o1)CN)c2nc(cs2)C(=O)O	OTZ	2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N	OU1	7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine
+CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4	OU2	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N	OU4	7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+C[C@H]1CN(CCN1c2cc(cc(c2)F)F)C(=O)CC[C@@]3(C(=O)NC(=O)N3)C4CC4	OU5	(5~{s})-5-[3-[(3~{s})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs4)N	OU7	7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N	OUA	7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine
+c1c2c(co1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	OUB	(s)-1-(2'-amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione
+Cc1cc(cc(c1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)C)O	OUC	(3~{s},6~{s})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
+C([C@@H](CNC(=O)O)N)C(=O)O	OUD	(3~{s})-3-azanyl-4-(carboxyamino)butanoic acid
+C(CC(=O)O)[C@@H](CNC(=O)O)N	OUE	(4~{s})-4-azanyl-5-(carboxyamino)pentanoic acid
+Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N	OUG	7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine
+c1c([nH]cn1)C[C@@H](CNC(=O)O)N	OUH	[(2~{s})-2-azanyl-3-(1~{h}-imidazol-5-yl)propyl]carbamic acid
+CC[C@H](C)[C@@H](CNC(=O)O)N	OUI	[(2~{s},3~{s})-2-azanyl-3-methyl-pentyl]carbamic acid
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn4)N	OUJ	7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+C(CC[NH3+])C[C@@H](CNC(=O)O)N	OUK	[(5~{s})-5-azanyl-6-(carboxyamino)hexyl]azanium
+c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)N	OUL	4-(4-aminocarbonylphenoxy)benzamide
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc(cc4)C#N)N	OUM	4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N	OUP	7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine
+CC1(CO[C@@H](CN1)c2cccc(c2)F)C	OUQ	(2~{r})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine
+C(C[C@@H](CNC(=O)O)N)CNC(=[NH2+])N	OUR	[azanyl-[[(4~{s})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium
+Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N	OUS	7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine
+C(=O)(N)O	OUT	carbamic acid
+CNc1ccnc(c1)C(=O)NC	OUW	~{n}-methyl-4-(methylamino)pyridine-2-carboxamide
+COC(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)NCc3ccc(cc3F)F)O	OUY	methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate
+CCNCCN1C[C@@H](OC[C@H]1C)c2ccccc2	OUZ	~{n}-ethyl-2-[(2~{s},5~{r})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC[S@](=O)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CO)O	OV1	n-[(2s)-1-({(2s)-1-{[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(r)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H]([C@H](C)CO)O	OV2	n-hexanoyl-l-valyl-n~1~-[(2r,3s,4s)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide
+C(C(=O)O)S[C@H](C(=O)O)N	OV7	(2r)-amino[(carboxymethyl)sulfanyl]acetic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CN)O)O)N	OV8	[(2~{r},3~{s},4~{s},5~{r})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC(=CC[C@@H]1[C@@](O1)(C)[C@]2([C@@H](C(=O)CC[C@@]2(C)O)OC)O)C	OVA	3,4-dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-but-2-enyl) -oxiranyl]-cyclohexanone
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccc(cc3)OC(F)(F)F)O)O)N	OVB	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)S)N	OVE	2'-o-(sulfidophosphinato)adenosine
+CCCCOc1ccc2c(c1)occ2CC(=O)O	OVG	(6-butoxy-1-benzofuran-3-yl)acetic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccccc3)O)O)N	OVH	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O	OVJ	{6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)CCn2nc(nn2)c3ccccc3)O)O)N	OVK	[(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+COc1cccc(c1)C(=O)O	OVM	3-methoxybenzoic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCCCO)O)O)N	OVN	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(4-oxidanylbutyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CSc1cccc(c1)C(=O)O	OVP	3-(methylsulfanyl)benzoic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3cccnc3)O)O)N	OVQ	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+c1ccc(cc1)Oc2ccc3c(c2)occ3CC(=O)O	OVS	(6-phenoxy-1-benzofuran-3-yl)acetic acid
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCc3ccccc3)O)O)N	OVT	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(2-phenylethyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+Cc1cccc(c1)C(=O)O	OVV	3-methylbenzoic acid
+CCCCCCCCc1cn(nn1)CCC[C@@H]2CO[C@@H]([C@H]([C@H]2O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N	OVW	[(2~{r},3~{s},4~{s},5~{r})-5-[3-(4-octyl-1,2,3-triazol-1-yl)propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC(=O)N[C@H]([C@H](C/C(=N\O)/C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	OVY	(2e,4s,5r,6r,7s,8r)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name)
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNCc3ccccc3)O)O)N	OVZ	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)amino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)NCc3ccccc3)O)O)N	OW2	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)carbamoylamino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CNc1cccc(c1)C(=O)O	OW4	3-(methylamino)benzoic acid
+CCCCCc1ccc(cc1)c2cn(nn2)CCC[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N	OW5	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CCOc1cccc(c1)C(=O)O	OW7	3-ethoxybenzoic acid
+CNC(=O)c1c2c([nH]n1)CCC2	OW8	~{n}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
+CN1C[C@H](CC1=O)CC(=O)OC	OWA	methyl [(3r)-1-methyl-5-oxopyrrolidin-3-yl]acetate
+CC(=O)Nc1cccc(c1)Oc2cc(nc(n2)c3ccncc3)[C@@H]4CCCNC4	OWB	~{n}-[3-[6-[(3~{r})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide
+c1cc(ccc1CC(=O)O)Oc2cnc3cc(ccc3n2)Cl	OWD	{4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
+COc1ccc(cc1)[C@H]2c3cc(c(cc3CNN2C(=O)CCc4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)OC)OC	OWG	3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1h)-yl]propan-1-one
+CNC(=S)c1cccnc1	OWH	~{n}-methylpyridine-3-carbothioamide
+Cc1cc(cc(c1)[C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)C	OWJ	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(3,5-dimethylphenyl)phthalazin-2(1h)-yl]prop-2-en-1-one
+[B]1B2B13B4B56B2B578B649[Co]7124567(B9[C+]31(C82)CCS(=O)(=O)N)B1B2B38B229B1B212B93B41(B52)[C+]68(C7)CCS(=O)(=O)N	OWK	metala-carborane di-ethyl-sulfonamide
+c1cc(ccc1Nc2ccc(cc2)Nc3[nH]ccn3)Nc4[nH]ccn4	OWL	n-1h-imidazol-2-yl-n'-[4-(1h-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@@H](c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N	OWM	(2e)-1-[(1r)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one
+COC(=O)c1ccc2c(c1)N(CCN2C(=O)C=C)CC3CC3	OWN	methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3CN2)Cc4ccccc4)Cc5cnc(nc5N)N	OWP	(2e)-1-[(1s)-1-benzylphthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one
+COc1ccc(cc1)n2c3c(cnc(n3)N[C@@H]4CCN(C4)c5ccncc5)nn2	OWQ	3-(4-methoxyphenyl)-~{n}-[(3~{r})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
+Cc1ccc(cc1)[C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N	OWS	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(4-methylphenyl)phthalazin-2(1h)-yl]prop-2-en-1-one
+CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)[C@H](CCCCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O	OWT	~{n}-[(5~{s})-6-azanyl-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide
+CCC(CC)[C@H]1c2ccccc2CNN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	OWV	(2e)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1s)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1h)-yl]prop-2-en-1-one
+C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@@H](c2ccccc2)c3ccc(cc3)OC(F)(F)F)N(C(=O)N)O	OWW	3-[(3~{r})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{n}-[(3~{s})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide
+CCN(CC)C(=O)c1ccc(cc1)[C@H](c2cccc(c2)O)N3C[C@H](N(C[C@@H]3C)Cc4ccccc4)C	OWY	4-[(r)-[(2s,5r)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-n,n-diethylbenzamide
+C[C@H]1CO[C@@H](CN1)c2ccccc2Cl	OWZ	(2~{r},5~{s})-2-(2-chlorophenyl)-5-methyl-morpholine
+O	OX	bound oxygen
+CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O	OX1	[2'-carboxylethyl]-10-methyl-anthracene endoperoxide
+Cc1nnc(o1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	OX2	(1r)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-d-glucitol
+c1cc(ccc1C=NOC(=O)C2CCCCC2)O	OX3	4-hydroxybenzaldehyde o-(cyclohexylcarbonyl)oxime
+c1cc(c(cc1\C=N\OC(=O)C2CCCCC2)F)O	OX4	3-fluoro-4-hydroxybenzaldehyde o-(cyclohexylcarbonyl)oxime
+CC(C)(C)CC(=O)O/N=C/c1ccc(cc1)O	OX5	4-hydroxybenzaldehyde o-(3,3-dimethylbutanoyl)oxime
+CC(C)[C@H](c1nnco1)NC(=O)OC(C)(C)C	OX6	tert-butyl [(1r)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
+CC(C)[C@@H](c1nnco1)NC(=O)OC(C)(C)C	OX7	tert-butyl [(1s)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
+CC[O]	OXA	oxydimethylene group
+Cc1ccc(c(c1)[C@@H]2CN([C@H](CO2)C)CCCS(=O)(=O)N)C	OXB	3-[(2~{r},5~{s})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide
+C1(NC(=O)NC(=O)N1)C(=O)O	OXC	oxonic acid
+C(=O)(C(=O)O)O	OXD	oxalic acid
+Cc1ccccc1C	OXE	ortho-xylene
+C12=NC(=O)N=C1N=C(NC2=O)N	OXG	8-oxoguanine
+CCN1C=C(C(=O)c2c1cc3c(c2)OCO3)C(=O)O	OXI	oxolinic acid
+CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	OXJ	1-[3,5-bis(trifluoromethyl)phenyl]-n-methylmethanamine
+CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(=O)O)O	OXK	oxalyl-coenzyme a
+C(=O)(C(=O)[O-])[O-]	OXL	oxalate ion
+C(=O)(C(=O)O)N	OXM	oxamic acid
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	OXN	oxtoxynol-10
+O	OXO	oxo group
+C\C=C/C(=O)C(=O)O	OXP	2-oxo-3-pentenoic acid
+c1(c(non1)O)C(=O)O	OXQ	4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
+CC1=C(C(CCC1=O)(C)C)\C=C\C(=C\C=C\C(=C\CO)\C)\C	OXR	4-oxoretinol
+C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O	OXS	2-oxalosuccinic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	OXT	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1r,11r,15s,17r)-19-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium 
+CCCCC(=O)NCCOCCOCCOCCNC(=O)C[N]1=C(Sc2c1cccc2)CC3=CC=[N](c4c3cccc4)C	OXV	~{n}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
+CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5ccc(cc5C#N)F	OXW	5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile
+C([C@@H](C(=O)O)N)C(=O)OC(=O)C(=O)[O-]	OXX	oxalyl-aspartyl anhydride
+O=O	OXY	oxygen molecule
+C1[C@H]([C@@H]([C@H](ON1)CO)O)O	OXZ	tetrahydrooxazine
+CCC[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)C(C)(C)C	OY0	(2s)-2-tert-butyl-n-(4-sulfamoylphenyl)pentanamide
+CCC(=O)N1CCN(c2c1ccc(c2)C(=O)OC)CC	OY2	methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate
+CC(=O)NCCSc1c(non1)/C(=N/O)/N[C@H]2Cc3c2cc(cc3)F	OY4	n-{2-[(4-{n-[(7s)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-n'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide
+B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCS(=O)(=O)N)CCS(=O)(=O)N	OY5	ca ix mimic
+B1234B567B189B212B33%10B454B656B787B911[C+2]232([C+]4%105[Co]76121234B567B118B559B66%10B272B667B%1055B911B565[C+]318[C+2]4752CCS(=O)(=O)N)CCS(=O)(=O)N	OY8	metala-carborane di-ethyl-sulfonamide
+CCCCCCCC=O	OYA	octanal
+COc1ccc(cc1)n2c3c(cnc(n3)NC4CCC(CC4)N)nn2	OYB	~{n}4-[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine
+CC/C=N/C1=C(NC(=O)NC1=O)NCCCCCO	OYD	6-[(5-hydroxypentyl)amino]-5-[(e)-propylideneamino]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)C[n+]2cn(c3c2C(=O)N=C(N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O	OYE	bn7gpppg mrna 5' cap analog
+CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)C	OYG	6-methyl-5-[(1e)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1h,3h)-dione
+CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl	OYJ	(3r,4r)-1-methanesulfonyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-3-fluoro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+CNc1c2c(ncn1)n(cn2)C	OYK	~{n},9-dimethylpurin-6-amine
+CCn1cc(nc1)C[C@@H](C(=O)O)N	OYL	1-ethyl-l-histidine
+CNc1c2c([nH]cn2)nc(n1)Cl	OYN	2-chloranyl-~{n}-methyl-9~{h}-purin-6-amine
+CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O	OYP	3-{4-[(tridec-2-yn-1-yloxy)methyl]phenyl}propanoic acid
+CC[C@H](C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N	OYQ	(4s)-4-methyl-n-(4-sulfamoylphenyl)hexanamide
+c1ccc(cc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N	OYS	2-phenyl-n-(4-sulfamoylphenyl)acetamide
+CNc1c2c(ncn1)n(cn2)C3CC3	OYT	9-cyclopropyl-~{n}-methyl-purin-6-amine
+CC(=O)/C=C/C1=C(NC(=O)NC1=O)CC[C@@H]([C@@H]([C@@H](CO)O)O)O	OYV	1,2-dideoxy-1-{2,6-dioxo-5-[(1e)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-d-ribo-hexitol
+c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O)Cl	OYW	4-cl-bn7gpppg mrna 5' cap analog
+CCOc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4)N[C@H](C)C(=O)O)C#N	OYZ	(2~{r})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid
+c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCCO)N	OZ1	4-amino-n-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\CCCCCC	OZ2	(2r)-3-{[(r)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6z)-tridec-6-enoyloxy]propyl (9z)-octadec-9-enoate
+C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)C=CC(O7)(C)C)NC3=O	OZ4	(7as,12s,12ar,13as)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8h,10h-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one
+CC[C@H](C(=O)O)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)C	OZ5	(2~{r})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid
+C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)OC=CC(O7)(C)C)NC3=O	OZ7	(8as,13s,13ar,14as)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4h,8h,9h,11h-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one
+c1ccc(cc1)C[C@H]2CCCN2C3=CC(=CC(=O)N3)N4CCOCC4	OZ8	4-morpholin-4-yl-6-[(2~{r})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{h}-pyridin-2-one
+CC1(c2c(c3ccc(cc3[nH]2)Br)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	OZA	(5as,12as,13as)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCO	OZD	6-[(2-hydroxyethyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
+CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O	OZE	(((r)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-l-leucinate
+COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O	OZG	[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid
+CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O	OZH	(2~{s})-4-methyl-2-[2-[[oxidanyl-[(1~{s})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid
+c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C=O	OZJ	2,4-diamino-6-(3-formylphenyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CC(C)(CC(=O)N[C@@H]1COc2ccccc2N(C1=O)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)N	OZK	3-azanyl-3-methyl-~{n}-[(3~{r})-4-oxidanylidene-5-[[4-[2-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide
+c1ccc(cc1)Cc2ccc3c(c2)occ3CC(=O)O	OZM	(6-benzyl-1-benzofuran-3-yl)acetic acid
+Cc1c(c(n(n1)C2CCN(CC2)CC(=O)N(C)C)C)NC3=NC=C(/C(=C/4\C=N[N]5=C4C=CC=C5)/N3)Cl	OZN	2-[4-[4-[[(6z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1h-pyrimidin-2-yl]amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-n,n-dimethyl-ethanamide
+c1cc(cc(c1)C(=O)N)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@H](O2)n3cnc4c3ncnc4N)O)O	OZP	9-(5-{[(3s)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-d-ribofuranosyl)-9h-purin-6-amine
+CCc1cccc(c1NS(=O)(=O)c2ccc(cc2C)c3cc(co3)C(=O)O)CC	OZQ	5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid
+c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H](CO2)O)O)O)O)[N+](=O)[O-]	OZR	n-[(e)-3-[(2r,3s,4s)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(nc3)C(F)(F)F)O)O)O)O)[N+](=O)[O-]	OZS	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+C[C@@H]1[C@H](NC(=O)O1)C(=O)O	OZT	(4s,5r)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP4(=O)OP(=O)(OP(=O)(OP(=O)(O4)O)O)O)O)O)N	OZV	5'-o-[(r)-hydroxy{[(4r,8s)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine
+c1ccc(cc1)NNc2ccc(cc2)C[C@@H](C(=O)O)N	OZW	phenylhydrazinyl phenylalanine
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](C[C@@H]([C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CN)O)O)N)N)N)O)CO)N)O)O)O	OZY	(1r,2r,3s,4r,6s)-4,6-diamino-2-[(3-o-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-glucopyranosyl}-beta-d-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside
+c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)C=C3)O)O)O)O)[N+](=O)[O-]	OZZ	n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NCCCN4C2=O	P	2'-deoxy-n1,n2-propano guanosine monophosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/OCC[C@@H](C(=O)O)N)O	P00	(2s)-2-azanyl-4-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid
+CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl	P01	2-({6-[(3-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methylbutan-1-ol
+CCN(C)S(=O)(=O)Nc1cccc(c1F)c2c(sc(n2)C(C)(C)C)c3ccnc(n3)N	P02	n'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-n-ethyl-n-methylsulfuric diamide
+C(COCCCOCCO)COCCO	P03	2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol
+c1cc2cc(c1)NC(=O)CCCCc3cnn4c3nc(nc4NC5CC5)N2	P04	19-(cyclopropylamino)-4,6,7,15-tetrahydro-5h-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9h)-one
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccncc3)N	P05	d-phenylalanyl-n-(pyridin-4-ylmethyl)-l-prolinamide
+CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F	P06	dabrafenib
+CCn1c-2c(nn1)-c3ccccc3-c4c(nnn4CC)-c5c2cccc5	P07	1,8-diethyl-1,8-dihydrodibenzo[3,4:7,8][1,2,3]triazolo[4',5':5,6]cycloocta[1,2-d][1,2,3]triazole
+Cc1cc2c(c(c1)[C@H](C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4	P08	pik-108
+Cc1ccc(cc1C)Oc2ccc(cc2)NC(=O)c3ccccc3C(=O)O	P09	2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid
+C(CCC(=O)O)C[C@H](C(=O)O)N	P0A	(2r)-2-aminoheptanedioic acid
+CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2	P0B	6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{h}-pyrimidine-2,4-dione
+CC1=CC2=CN(C(=O)N=C2N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	P0C	6-methyl-3-(beta-d-ribofuranosyl)-3,7-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one
+C[C@H](N)[P@](=O)(C[C@@H](Cc1ccccc1)C(=O)O)OP(=O)(O)O	P0D	(2s)-3-[(s)-[(1r)-1-aminoethyl](phosphonooxy)phosphoryl]-2-benzylpropanoic acid
+CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCO)OC(=O)CCCCCCC\C=C/CCCCCC	P0E	phosphatidyl ethanol
+c1cc(cc(c1)O)c2[nH]c(nn2)NCc3c(cccc3Cl)F	P0F	3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4h-1,2,4-triazol-3-yl)phenol
+Cc1ccccc1CC(C)(C)NC[C@@H](c2ccc(c3c2OCC(=O)N3)O)O	P0G	8-[(1r)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2h-1,4-benzoxazin-3(4h)-one
+c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O)O	P0H	n-[(benzyloxy)carbonyl]glycyl-l-proline
+OP1(=O)OP(=O)(OP(=O)(OP(=O)(O1)O)O)O	P0J	2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone
+CN(Cc1ccco1)CC2=NC(=O)NC(=O)C2	P0K	6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{h}-pyrimidine-2,4-dione
+CC(C)C[C@H](N)[P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O	P0L	(2s)-2-{[(s)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid
+CC1(CO[C@@H](CN1)c2ccccc2Cl)C	P0N	(2~{r})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine
+Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O	P0P	[4-(dihydroxymethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+C[C@@H]1[C@H](OCC(N1)(C)C)c2cccc(c2)Cl	P0Q	(2~{r},3~{r})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine
+OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)O)O)O)O)O	P0S	2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone
+CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O	P0T	cannabidiol
+c1cc(cc(c1)C(=O)N)C#CCN(CC[C@H](C(=O)O)N)C[C@@H]2[C@@H]([C@@H]([C@H](O2)n3cnc4c3ncnc4N)O)O	P0V	9-(5-{[(3r)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-d-lyxofuranosyl)-9h-purin-6-amine
+CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3	P0W	6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{h}-pyrimidine-2,4-dione
+c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)O)SCc3cccnc3)O)N	P0Y	(2s,4r)-1-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-[(pyridin-3-ylmethyl)sulfanyl]piperidine-2-carboxylic acid
+CC1(CO[C@@H](CN1CCC(=O)NC(=O)NC)c2ccccc2)C	P0Z	3-[(2~{r})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{n}-(methylcarbamoyl)propanamide
+c1ccc(cc1)CC[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3	P10	[1-(3-hydroxy-2-oxo-1-phenethyl-propylcarbamoyl)2-phenyl-ethyl]-carbamic acid pyridin-4-ylmethyl ester
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=O)Nc3cn(c(n3)C(=O)NCCC(=O)Nc4cn(c(n4)C(=O)Nc5cc(n(c5)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C)C	P11	imidazole-pyrrole-beta alanine-imidazole-beta alanine-imidazole-pyrrole-beta alanine-dimethylamino propylamide
+[H]/N=C(\N)/N1CC[NH+](CC1)Cc2cc(ccc2OCCC[NH3+])OC	P12	4-[amino(imino)methyl]-1-[2-(3-ammoniopropoxy)-5-methoxybenzyl]piperazin-1-ium
+c1cc2c(cc[nH]2)cc1c3ccc(c(c3)CNCCN4CCNCC4)OCCCN	P13	n-[2-(3-aminopropoxy)-5-(1h-indol-5-yl)benzyl]-n-(2-piperazin-1-ylethyl)amine
+COc1ccc(c(c1)CNCCCCNC(=[NH2+])N)OCCNC(=[NH2+])N	P14	n-[2-(2-{[(4-{[amino(imino)methyl]amino}butyl)amino]methyl}-4-methoxyphenoxy)ethyl]guanidine
+COCCOCCOCCOCCOCCOCCO	P15	2,5,8,11,14,17-hexaoxanonadecan-19-ol
+CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c(cccc4Cl)Cl	P16	6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one
+CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl	P17	6-(2,6-dichloro-phenyl)-8-methyl-2-(3-methylsulfanyl-phenylamino)-8h-pyrido[2,3-d]pyrimidin-7-one
+c1ccc(cc1)C(=O)CCO	P18	3-hydroxy-1-phenylpropan-1-one
+c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4	P19	n,n'-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
+CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O	P1A	2,3,14,20,22-pentahydroxycholest-7-en-6-one
+CCc1ccc(nc1)CCOc2ccc(cc2)C[C@@H]3C(=O)NC(=O)S3	P1B	(5r)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
+CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O	P1C	deacetoxycephalosporin-c
+c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(=O)(O)O	P1D	((2s,3as,4r,6s)-4-(hydroxymethyl)-6-(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)-tetrahydrofuro[3,4-d][1,3]dioxo l-2-yl)methylphosphonic acid
+CNS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)N[C@@H]3CCC[C@H]3N(C)C)C(F)(F)F	P1E	4-{[4-{[(1r,2r)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2N	P1F	2-(2-azanylphenoxy)-5-hexyl-phenol
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(=O)(O)O)N=C(NC2=O)N	P1G	((2r,4r,6r,6as)-4-(2-amino-6-oxo-1,6-dihydropurin-9-yl)-6-(hydroxymethyl)-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl)methylphosphonic acid
+CCCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	P1H	{(2r,3s,4r,5r)-5-[(4s)-3-(aminocarbonyl)-4-(2-propylisonicotinoyl)pyridin-1(4h)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}m ethyl [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C1=C(NC(=O)NC1=O)C(=O)NCCC(=O)O	P1J	n-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine
+B(Cn1cc(nn1)CNS(=O)(=O)CC(F)(F)F)(O)OP(=O)(O)O	P1K	phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid
+CCCCCCCCCCCCCCCC(=O)SC[C@@H](C(=O)O)N	P1L	s-palmitoyl-l-cysteine
+CN1[C@@H]2CCC[C@H]1CC(C2)Nc3ccccc3Br	P1M	(3-endo)-n-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
+CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	P1O	1,2-didecanoyl-sn-glycero-3-phosphocholine
+C(C[O-])CO[P+](=O)[O-]	P1P	3-{[oxido(oxo)phosphino]oxy}propan-1-olate
+C[C@H]1CO[C@@H](CN1CC(COC)O)c2cccc(c2)Cl	P1Q	1-[(2~{r},5~{s})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol
+c1cncnc1	P1R	pyrimidine
+c1cc2c(cc1CO)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O	P1S	(6ar,12ar)-3-(hydroxymethyl)-6h-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12ah)-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O	P1T	2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid
+CC(=CCO)C	P1W	3-methylbut-2-en-1-ol
+COc1ccc(cc1Br)Cc2nc(c(c(n2)O)O)C(=O)O	P1Y	2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
+CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3	P1Z	4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione
+c1cc(c(cc1NC(=N)N)[C@@H](CS)C(=O)O)Cl	P20	2-(5-{[amino(imino)methyl]amino}-2-chlorophenyl)-3-sulfanylpropanoic acid
+COCCCN([C@H]1CCC[N@](C1)CCc2ccccc2)C(=O)c3ccc(cc3)Cl	P21	4-chloro-n-(3-methoxypropyl)-n-[(3s)-1-(2-phenylethyl)piperidin-3-yl]benzamide
+CCO[P@](=O)(O)OP(=O)(O)O	P22	ethyl dihydrogen diphosphate
+CCCO[P@@](=O)(O)OP(=O)(O)O	P23	propyl trihydrogen diphosphate
+C(CCNCCN)CN	P24	1-(aminoethyl)amino-4-aminobutane
+CCCCCO[P@@](=O)(O)OP(=O)(O)O	P25	pentyl trihydrogen diphosphate
+CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C	P26	4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1h-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid
+c1ccc2c(c1)nnn2C(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)c5ccc(c(c5)F)F	P27	{[2-(1h-1,2,3-benzotriazol-1-yl)-2-(3,4-difluorophenyl)propane-1,3-diyl]bis[4,1-phenylene(difluoromethylene)]}bis(phosphonic acid)
+CC(=O)N[C@@H](Cc1ccc(cc1)Oc2cc(c(c(c2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O	P28	3',5'-dinitro-n-acetyl-l-thyronine
+c1ccc(cc1)Nc2nc3c(cnn3c(n2)NCCc4cnc[nH]4)C#N	P29	4-(2-(1h-imidazol-4-yl)ethylamino)-2-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
+CC(=O)OC[C@H](COP(=O)(O)O)OC(=O)C	P2A	1,2-diethanoyl-sn-glycero-3-phosphate
+c1cc(cc(c1)O)c2cc(nc(n2)N3CCOCC3)Nc4cccnc4	P2B	3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
+c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl	P2C	2-[(3,5-dichloro-4-trioxidanylphenyl)amino]benzoic acid
+CC(=O)CC(=O)C	P2D	pentane-2,4-dione
+CCCCC[C@@H](\C=C\[C@H]1[C@@H](CC(=O)[C@@H]1C\C=C/CCCC(=O)O)O)O	P2E	(z)-7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
+CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O	P2F	5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-n3-[(2s,3r)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-n1,n1-dipropyl-benzene-1,3-dicarboxamide
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@@H](O4)P(=O)(O)O)N=C(NC2=O)N	P2G	(2s,4r,6r,6as)-4-(2-amino-6-oxo-1,6-dihydropurin-9-yl)-6-(hydroxymethyl)-tetrahydrofuro[3,4-d][1,3]dioxol-2-ylphosphoni c acid
+c1ccc(cc1)c2ccc[n+](c2)CC(O)(P(=O)(O)O)P(=O)(O)O	P2H	1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium
+CC(=O)OC[C@@H](CO[P@@](=O)([O-])OC1[C@H]([C@@H](C([C@@H]([C@H]1O)O)O)O)O)OC(=O)C	P2I	1,2-diacetoyl-sn-glycero-3-phosphoinositol
+CCCCCN(CC[C@@H](C(=O)O)N)C[C@H]1[C@@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)O)O	P2J	9-(5-{[(3s)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-l-arabinofuranosyl)-9h-purin-6-amine
+C(COCCOCCOCCOCCOCCO)O	P2K	polyethylene glycol peg2000
+CN1CCC[C@H](C1)NC2=C(C(=O)N(N=C2)C)Cl	P2L	4-chlorol-2-methyl-5-[[(3~{r})-1-methylpiperidin-3-yl]amino]pyridazin-3-one
+c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3	P2M	n-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
+c1c(c2c(c(c1O)Cl)CC(=O)CCCC\C=C\CCOC2=O)O	P2N	(5z)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,11(12h)-dione
+C#CCN1CCOC1=O	P2O	3-prop-2-yn-1-yl-1,3-oxazolidin-2-one
+c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)O	P2P	n7-(5'-phospho-alpha-ribosyl)-2-hydroxypurine
+c1ccc(cc1)OC/C=C/[C@@H](C=O)Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N	P2Q	2-hydroxy-5-{[(1s,2e)-1-formyl-4-phenoxybut-2-en-1yl]amino}-l-tyrosine
+CC[C@H](C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N)C(=O)O	P2S	(2s)-2-amino-4-[[(2r)-2-carboxybutyl](phosphono)sulfonimidoyl]butanoic acid
+CCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O	P2T	2'-o-propyl thymidine-5-monophosphate
+C1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O	P2U	2'-deoxy-pseudouridine-5'monophosphate
+CC(C)n1c2c(c(n1)c3cc4cc(ccc4[nH]3)O)c(ncn2)N	P2X	2-[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]-1h-indol-5-ol
+C1C[C@H](NC1)CN	P2Y	(2s)-pyrrolidin-2-ylmethylamine
+CN(C)CCCN1c2ccccc2Sc3c1cccc3	P2Z	promazine
+CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6	P30	1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea
+c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F	P31	5-[(5-chloro-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]-n-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine
+CC(C)(C)NC[C@@H](COc1cccc2c1CC(=N2)C#N)O	P32	4-{[(2s)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3h-indole-2-carbonitrile
+C(COCCOCCOCCOCCOCCOCCO)O	P33	3,6,9,12,15,18-hexaoxaicosane-1,20-diol
+CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2	P34	n~2~,n~2~-dimethyl-n~1~-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamide
+c1cc2c(cc1NC3CCNCC3)CN(C2)S(=O)(=O)c4ccc(cc4O)O	P35	4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2h-isoindol-2-yl}sulfonyl)benzene-1,3-diol
+c1ccc(cc1)CN2C=CC(=C(C2=O)Br)OCc3ccccc3	P36	1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1h)-one
+Cc1ccc(cc1NC2=CC(=O)N(c3c2cnn3c4ccc(cc4F)F)C)C(=O)NC5CC5	P37	n-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
+Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(=C)c4ccccc4)C)NC(=O)c5ccnc(c5)N6CCOCC6	P38	5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-n-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)NC(=O)c5cccc(c5)N6CCOCC6	P39	5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-n-[(1s)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/C=C\CCCCCC	P3A	phosphatidylglycerol-phosphoglycerol
+CC1=C(/C(=C\N=C\2/C=C(C[C@H]([C@@H]2O)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O	P3B	(3e,4r,5r)-4,5-dihydroxy-3-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid
+Cl[Pt-](Cl)Cl	P3C	trichloroplatinate
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\CCCCCN)O	P3D	(4-{(e)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1cccc(c1)Cn2c[n+](c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O	P3E	[[(2~{r},3~{s},4~{r},5~{r})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\NC(=O)CNC(=O)c2ccccc2C(F)(F)F)O	P3F	phosphoric acid mono-(5-hydroxy-6-methyl-4-{[2-(2-trifluoromethyl-benzoylamino)-acetyl]-hydrazonomethyl}-pyridin-3-ylmethyl)ester
+CCOCCOCCOCCOCCOCC	P3G	3,6,9,12,15-pentaoxaheptadecane
+CCCCCCCC/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O	P3H	[(2~{r})-1-nonanoyloxy-3-[oxidanyl-[(2~{r},3~{s},5~{r},6~{r})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{z},8~{z})-heptadeca-5,8-dienoate
+CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2Br)N)S(=O)(=O)c3ccccc3	P3I	n-(6-amino-1-(2-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-n-methylbenzenesulfonamide
+c1cc(cnc1)c2cc([nH]n2)N	P3J	3-(pyridin-3-yl)-1h-pyrazol-5-amine
+c1cc(c(c(c1)O)O)C#N	P3K	2,3-bis(oxidanyl)benzenecarbonitrile
+Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](Cc3nc(no3)C(C)(C)C)NC(=O)c4cc(on4)C	P3N	n-[(2s)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2s)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
+C[P@](=O)(CC[C@@H](C(=O)O)N)OP(=O)(O)O	P3P	(2s)-2-amino-4-[methyl(phosphonooxy)phosphoryl]butanoic acid
+c1ccc(cc1)CCC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](C(=O)O)N	P3Q	2-hydroxy-5-{[(1e)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-l-tyrosine
+C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N	P3S	l-methionine-s-sulfoximine phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCCN)O	P3T	(4-{[(4-aminobutyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1c(c(nn1C)CC(C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl	P3U	2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-n-(1,5-dimethyl,3-isobutyl-1h-pyrazol-4-yl)benzenesulfonamide
+CC(C)CN(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)(O)O)S(=O)(=O)c4ccc(cc4)N	P3V	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate
+CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4ccccc4OC	P3Y	5-[3-(2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylpyridine-3-carboxamide
+COc1ccc(cc1)[C@](c2cncnc2)(C3CC3)O	P3Z	(s)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol
+Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)NC5CC5	P40	n-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
+CC(C)Nc1nc2ccc(cc2s1)c3c(nco3)c4ccccc4F	P41	6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-n-(1-methylethyl)-1,3-benzothiazol-2-amine
+CCCCCCCCCCCCCCCCC[C@H](O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O[C@H](CCCCCCCCCCCCCCC)O	P42	(2s)-2-{[(1r)-1-hydroxyhexadecyl]oxy}-3-{[(1r)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate
+c1ccc(c(c1)C#Cc2ccc(o2)C(=O)N3CCC(CC3)c4cccc(c4)CN)F	P43	1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine
+c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4	P44	2-(cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
+c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCc4ccc(cc4)Cl	P45	2-(4-chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
+c1cc2cn(cc2cc1NC3CCN(CC3)C(=O)[C@H](CC(=O)N)N)S(=O)(=O)c4ccc(cc4O)O	P46	(3s)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2h-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide
+c1ccc(cc1)/C(=C\C(=O)O)/CCc2ccc(cc2)Cl	P47	(2z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
+CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C	P48	n,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+Cn1c-2c(c(n1)C(=O)O)CCc3c2nc(nc3)Nc4ccccc4	P49	1-methyl-8-(phenylamino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
+Cc1c(c(n[nH]1)c2ccc(cc2O)O)c3ccc(cc3)OC	P4A	4-[4-(4-methoxyphenyl)-5-methyl-1h-pyrazol-3-yl]benzene-1,3-diol
+C[C@@H](N[C@H](CCN)C(=O)O)O	P4B	(2~{r})-4-azanyl-2-[[(1~{s})-1-oxidanylethyl]amino]butanoic acid
+C(COCCOCCOCCOCCOCCOCC=O)O	P4C	o-acetaldehydyl-hexaethylene glycol
+c1cc(ccc1C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O)O	P4D	(2r)-2-{[(s)-[(1r)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid
+c1ccc(cc1)C=CC[C@@H](C(=O)O)N	P4E	(2s,4e)-2-amino-5-phenylpent-4-enoic acid
+C([C@H](C(=O)O)N)C(=O)C(F)(F)P(=O)(O)O	P4F	5,5-difluoro-4-oxo-5-phosphono-d-norvaline
+CCOCCOCCOCC	P4G	1-ethoxy-2-(2-ethoxyethoxy)ethane
+c1cc(c(cc1C(=O)c2ccc(cc2O)O)O)O	P4H	[2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone
+c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])O[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])[O]	P4J	[(2~{r},3~{r},4~{r},5~{s})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium
+CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	P4K	polyethylene glycol
+c1ccnc(c1)c2nc3c(c(n2)O)CSCC3	P4L	2-pyridin-2-yl-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-4-ol
+CS(=O)(=O)c1cccc(c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F	P4N	6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{h}-quinolin-2-one
+c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4)CCNC5=O	P4O	2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one
+c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4	P4P	tetraphenylphosphonium
+c1cc2c(c(ncn2)N)nc1	P4Q	pyrido[3,2-d]pyrimidin-4-amine
+C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O	P4S	(3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide
+Cc1c(sc(n1)Nc2ccccc2)C(=O)C	P4T	2-phenylamino-4-methyl-5-acetyl thiazole
+CCCOC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	P4U	4-propyl, uridine-5'-monophosphate
+CN(C)S(=O)(=O)c1cccc2c1ccnc2	P4W	~{n},~{n}-dimethylisoquinoline-5-sulfonamide
+c1ccc(cc1)c2c(c3ccccc3[nH]2)Cc4nc(c(c(n4)O)O)C(=O)O	P4Y	5,6-dihydroxy-2-[(2-phenyl-1h-indol-3-yl)methyl]pyrimidine-4-carboxylic acid
+CC[C@H](C(=O)N)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)Cl	P4Z	(2~{r})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C=O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC	P50	(19s,22s,25r)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9z)-octadec-9-enoate
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCOc3ccccc3	P51	2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol
+CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N	P52	nalpha-[(2s)-2-{[[(1r)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-l-tryptophanamide
+c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O	P53	2-(hydroxymethyl)phenyl 6-o-phosphono-beta-d-glucopyranoside
+Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N	P54	8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3h-purin-6-amine
+CCN1CCN(CC1)c2nc3c(cnn3c(n2)Nc4ccccc4)C#N	P55	2-(4-ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
+c1ccc(cc1)c2c(c3ccccc3[nH]2)Cn4ccnc4	P57	3-[(1h-imidazol-1-yl)methyl]-2-phenyl-1h-indole
+CN(Cc1ccccc1)C(=S)S	P58	benzyl(methyl)carbamodithioic acid
+c1ccc(cc1)N2[C@@H](Nc3ccccc3C2=O)c4ccccc4F	P59	(2r)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCCN4)O)O)N	P5A	'5'-o-(n-(l-prolyl)-sulfamoyl)adenosine
+CCS(=O)(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N	P5B	n-(ethylsulfonyl)tryptophyl-n~1~-{4-[amino(imino)methyl]benzyl}glutamamide
+Cc1cccc(c1)Nc2c(cnc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N	P5C	2-{[(1r,2s)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide
+c1ccc(cc1)C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O	P5D	(2r)-2-{[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O	P5E	[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate
+CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C2C=C1C)C=CC=NCC(=O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	P5F	n-propargylglycine-modified flavin adenine dinucleotide
+COc1cc(ccc1O)C[C@H]2COC[C@@H]2Cc3ccc(c(c3)OC)O	P5G	4,4'-[(3r,4r)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)
+CC1=NC(=O)C(C=C1)C(=O)NCCNS(=O)(=O)C	P5H	6-methyl-~{n}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{h}-pyridine-3-carboxamide
+Cc1ncc(cn1)c2ccn3c(n2)c(cn3)c4ccc5c(c4)[C@](C(=O)N5)(C)Cc6ccccc6	P5J	(3s)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2h-indol-2-one
+CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCS(=O)(=O)CC4	P5K	1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
+COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O	P5M	2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium
+c1cc(ccc1C=O)n2ccnc2	P5N	1-(4-methylphenyl)imidazole
+c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	P5P	purine riboside-5'-monophosphate
+Cc1ccc(cc1)n2cncn2	P5Q	1-(4-methylphenyl)-1,2,4-triazole
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC	P5S	o-[(r)-{[(2r)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine
+B123B45B167B289B612B744B116B282[C@@]93B21C465CCCS(=O)(=O)N	P5T	meta-nidocarborane propyl-sulfonamide
+c1cc(ccc1C#N)S(=O)(=O)OC[C@@H](C(=O)O)N	P5U	o-[(4-cyanophenyl)sulfonyl]-l-serine
+c1cc2c(cc1c3ccc4c(c3)[C@@]5(CCCN5C(=O)C6CC6)C(=O)N4)nccn2	P5V	(3s)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1h)-one
+c1ccc(cc1)c2csc(n2)Nc3ccc(cc3)C(=O)O	P5W	4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
+c1ccc(cc1)Cn2c(nnn2)CN(Cc3ccc(cc3)C(=O)NO)C(=O)c4ccccc4C(F)(F)F	P5Y	n-[(1-benzyl-1h-tetrazol-5-yl)methyl]-n-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide
+c1ccc(c(c1)c2c(nco2)C(=O)O)F	P60	5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid
+CC1=C(/C(=C\N=C(/Cc2ccc(c(c2)F)O)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	P61	(2e)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}propanoic acid
+CN(C)CCNCC1=C(C(=NC(=S)N1)O)Cc2ccc(cc2)Cl	P62	5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{h}-pyrimidine-2-thione
+CC(=O)Nc1cccc(c1)Nc2nc3c(cnn3c(n2)Nc4ccccc4)C#N	P63	n-(3-(8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-ylamino)phenyl)acetamide
+CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N	P64	7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine
+Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl	P65	2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine
+c1cc(c(c(c1)F)n2c3cnnc(c3cn2)Nc4cc(ccc4Cl)C(=O)NC5CC5)F	P66	4-chloro-n-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1h-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide
+C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br	P68	1-(4-bromophenyl)-3-(2-{3-[(1e)-n-hydroxyethanimidoyl]phenyl}propan-2-yl)urea
+c1ccc(cc1)N2[C@H](Nc3ccccc3C2=O)c4ccccc4F	P69	(2s)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
+Cc1c(c(no1)c2ccc(o2)Cl)c3ccccc3	P6A	3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole
+c1ccc(cc1)c2nc(on2)CN3CC[C@@H](C3)O	P6B	(3s)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
+CC(C)c1c2c(ncc(n2)C(=O)O)nc(n1)N	P6C	2-amino-4-isopropyl-pteridine-6-carboxylic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[NH-]	P6D	2'-azidocytidine
+C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O	P6F	1,6-di-o-phosphono-d-fructose
+C(COCCOCCOCCOCCOCCO)O	P6G	hexaethylene glycol
+CS(=O)(=O)c1ccccc1CO	P6H	(2-methylsulfonylphenyl)methanol
+C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)OCC#C	P6J	n-{3-[(1s,5s,6s)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide
+CCCCCCCCCC=CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC=CCCCCCCCCC	P6L	(2s)-3-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6e)-hexadec-6-enoyloxy]propyl (8e)-octadec-8-enoate
+C[C@@H]1C[C@@](N=C(S1)N)(C)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F	P6M	(4s,6r)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4h-1,3-thiazin-2-amine
+C[C@H]1CCc2ccccc2C1=O	P6N	(2~{s})-2-methyl-3,4-dihydro-2~{h}-naphthalen-1-one
+C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)OP(=O)(O)O	P6P	6-o-phosphono-alpha-d-fructofuranose
+B12B34B156B37B8B79C813B4B12B31C95(B61)CCCS(=O)(=O)N	P6Q	meta-carborane propyl-sulfonamide
+c1ccc(cc1)COC(=O)O	P6S	benzyl hydrogen carbonate
+C([C@H]([C@@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O	P6T	1,6-di-o-phosphono-d-tagatose
+C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F	P6U	(4s)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4h-1,3-thiazin-2-amine
+c1cc(ccc1CN)C(=O)NO	P6V	4-(aminomethyl)-n-hydroxybenzamide
+C(CC(=O)N)CC(=O)N	P6W	pentanediamide
+c1cc(c(nc1)C(F)(F)F)C(=O)NCc2ccc(cc2)C(=O)NO	P6Y	n-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide
+c1cc(cc(c1)n2ccnc2)C=O	P6Z	3-imidazol-1-ylbenzaldehyde
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](Cc2ccccc2)C(=O)O)O	P70	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-phenylalanine
+CC1=C(/C(=C\N=C(/Cc2ccccc2)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	P71	(2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-3-phenylpropanoic acid
+[H]/N=C(\c1ccc(cc1)O)/N	P72	4-oxidanylbenzenecarboximidamide
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNC(=O)OC(C)(C)C	P74	tert-butyl [3-(3-{[4-(diethylamino)piperidin-1-yl]methyl}-4-hydroxy-5-iodophenyl)prop-2-yn-1-yl]carbamate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)COc4ccc(cc4)S(=O)(=O)N	P75	4-[[1-[(2~{s},3~{s},5~{r})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide
+C[C@H]([C@@H](C(=O)NO)NC(=O)N1CCC(CC1)c2ccc(cc2)C#Cc3ccccc3)O	P76	n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide
+CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl	P77	2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10h-phenothiazine
+CC(C)(C)c1cc(c(s1)NC(=O)Nc2ccc3ccccc3c2)C(=O)N4CCS(=O)(=O)CC4	P78	1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea
+CC(C)(C)c1cc(n(n1)CC(=O)N2CCS(=O)(=O)CC2)NC(=O)Nc3ccc4ccccc4c3	P79	1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1h-pyrazol-5-yl}-3-naphthalen-2-ylurea
+CC(C)(C)c1cc(c(s1)N2CCS(=O)(=O)CC2)NC(=O)Nc3cccc4c3cccc4	P7A	1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea
+CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCC(=O)NCC4	P7B	1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
+CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C	P7C	1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea
+CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C(=O)NO	P7D	resminostat
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	P7E	4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde
+CC[C@H](C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3	P7F	(2~{r})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
+CCCN1CN(C2=C1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	P7G	7-propyl, guanosine-5'-monophosphate
+B1234B567B189B212B33%10B454B656B787C911(B232B715C4%1062CCCS(=O)(=O)N)CCCS(=O)(=O)N	P7H	meta-carborane di-propyl-sulfonamide
+C(CP(=O)(O)O)N	P7I	(2-aminoethyl)phosphonic acid
+CC1([C@@H]2CC[C@H]([C@H]1C2)CNCc3ccc(cc3)C(=O)NO)C	P7J	4-[({[(1r,2r,5r)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-n-hydroxybenzamide
+C[C@]1(Cc2ccc3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O	P7K	(3~{r})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
+c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2ccc(s2)Br	P7M	n-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide
+CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F)S(=O)(=O)C	P7N	~{n}-methyl-~{n}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{h}-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
+C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O)O	P7Q	(3~{r})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
+CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)c2ccc(c(c2)Cl)N	P7S	n-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-l-valyl-n-[(2s)-1-carboxy-3-oxopropan-2-yl]-l-prolinamide
+C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)c2ccc(cc2)C=O	P7T	4-[(2~{r},6~{s})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde
+c1cc(ccc1c2nc(co2)C(=O)NO)Br	P7V	2-(4-bromophenyl)-n-hydroxy-1,3-oxazole-4-carboxamide
+c1ccc(c(c1)/C=C/[N+](=O)[O-])O	P7Y	2-[(e)-2-nitroethenyl]phenol
+B1234B567B189B212B33%10B454B656B787B911C232(B4%105C7612CCCS(=O)(=O)N)CCCS(=O)(=O)N	P7Z	ortho-carborane di-propyl-sulfonamide
+c1cc(cc(c1)O)/C=C/[N+](=O)[O-]	P80	3-[(e)-2-nitroethenyl]phenol
+c1cc(ccc1/C=C/[N+](=O)[O-])O	P81	4-[(e)-2-nitroethenyl]phenol
+B1234B567B189B212B88%10C955(B669B733C411(B363B218B9%1035)CCCS(=O)(=O)N)CCCS(=O)(=O)N	P82	para-carborane di-propyl-sulfonamide
+CCn1c2ccccc2c3c1ccc(c3)CNC	P83	1-(9-ethyl-9h-carbazol-3-yl)-n-methylmethanamine
+CN1CCC(CC1)N(C)Cc2cc(cc(c2O)I)I	P84	2,4-bis(iodanyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol
+C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc(cc4)F	P85	n-[(4-fluorophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)I	P86	2-{[4-(diethylamino)piperidin-1-yl]methyl}-4,6-diiodophenol
+C1CCN(C1)C(=O)CC[C@H]2CCOC2	P87	3-[(3s)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one
+Cc1cccc(c1c2c(c(on2)C(C)C)COc3ccc(cc3)c4ccc5cc(ncc5c4)C(=O)O)C	P88	7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid
+CCCCCCCCCC(=O)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	P89	[6-methyl-5-oxidanyl-4-[(~{e})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
+B1234B567B189B212B33%10C454B656B433B%1011B353B768C9213CCCS(=O)(=O)N	P8B	para-carborane propyl-sulfonamide
+C[C@H](N)[P@@](=O)(C[C@H](CC(=O)O)C(=O)O)O	P8D	phosphinate pseudodipeptide l-ala-d-asp
+C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)N)N)O	P8E	5,7-diamino-3,5,7,9-tetradeoxy-l-glycero-alpha-l-manno-non-2-ulopyranosonic acid
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCc4cn(nn4)[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O	P8G	(2~{r},3~{r},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-[[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-[4-[[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol
+c1c(cncc1Br)C(=O)N2CCC(CC2)N3CCCC3	P8H	3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O	P8J	methyl 3-o-[(1-beta-d-galactopyranosyl-1h-1,2,3-triazol-4-yl)methyl]-beta-d-galactopyranoside
+c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N	P8M	2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1h-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCc4ccc(cc4)/C=C/C(=O)NO)c5ccc(cc5)Cl)C	P8N	(~{e})-3-[4-[[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{n}-oxidanyl-prop-2-enamide
+CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC	P8P	(2r)-3-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc5)Cl)C	P8Q	(s)-n1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-n8-hydroxyoctanediamide
+C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F	P8S	heptadecafluoro-1-octanesulfonic acid
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)C(=O)Nc5ccccc5N)c6ccc(cc6)Cl)C	P8T	~{n}-(2-aminophenyl)-4-[2-[(9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide
+Cc1ccc(s1)C#Cc2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N	P8V	2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1h-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
+CC1=C(C=NN(C1=O)C)NCc2ccccc2c3ccccc3	P8W	2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one
+C[C@@H]1C2=C(C(C(=N2)/C=C\3/[C@H]([C@](C(=N3)/C=C\4/[C@H]([C@]([C@@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O	P8X	desmethyl-hba
+CC(C)CCCS(=O)(=O)C[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O	P8Y	(2s,3s,4s,5r)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol
+CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C	P8Z	2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
+c1ccc(cc1)\C=C\C[C@@](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(c3nc4ccccc4s3)n5c6ccccc6nn5	P90	{4-[(2s,4e)-2-(1,3-benzothiazol-2-yl)-2-(1h-1,2,3-benzotriazol-1-yl)-5-phenylpent-4-enyl]phenyl}(difluoro)methylphosphonic acid
+Cn1c2cc(c3c(c2c(c1C(=O)NCCO)Br)C(=O)NC3=O)c4ccccc4Cl	P91	8-bromo-4-(2-chlorophenyl)-n-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide
+c1ccc2c(c1)NC(=S)O2	P92	3~{h}-1,3-benzoxazole-2-thione
+c1cocc1CNC(=O)N2CCCC2	P93	n-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide
+c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N	P94	4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile
+c1cnc(nc1)NC(=O)c2ccsc2NC(=O)c3nc4cnccc4s3	P95	~{n}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
+CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNc3ccccc3	P96	2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cnccc3Cl)N	P97	d-phenylalanyl-n-[(4-chloropyridin-3-yl)methyl]-l-prolinamide
+CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4	P98	2-({[1-phenyl-2-(propan-2-yl)-1h-benzimidazol-6-yl]oxy}methyl)quinoline
+c1ccc(cc1)S(=O)(=O)NCCSc2cc(c(c(c2)F)OCC(=O)N)F	P99	2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide
+C[C@@]12C[C@@]34CCC(=O)[C@@]([C@@H]3[C@@H](O1)C[C@@H]2C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O	P9A	3-({3-[(1s,4as,6s,7s,9s,9ar)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
+c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N	P9B	4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
+C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C[C@@H]4c5ccccc5)(C)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O)O2	P9C	3-({3-[(1s,4s,4as,6s,7s,9s,9ar)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
+CC(C)(C)c1csc(n1)NC(=O)C2=CC3=NC(=C(C(=O)N3C=C2)/C=C/c4[nH]nnn4)N5CCC[C@H](C5)OC(=O)NCC[N+](C)(C)CC(=O)[O-]	P9D	[{2-[({[(3r)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(e)-2-(1h-tetrazol-5-yl)ethenyl]-4h-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate
+c1cc2c(cc1S(=O)(=O)N)NC(=S)O2	P9E	2-sulfanylidene-3~{h}-1,3-benzoxazole-5-sulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N)(N)[N]4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O)(O)O)O	P9G	diamino(2'-deoxy-5'-guanylic acid-kappan~8~)(phenanthridine)platinum
+c1ccc(cc1)[C@@H](CC=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	P9H	(2~{s})-2-azanyl-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{r})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+C/C(=C/1\C=C(c2[n+]1cccc2)c3ccccn3)/O	P9I	1-[1-(pyridin-2-yl)indolizin-3-yl]ethan-1-one
+Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2cccc3)c4ccccc4	P9J	4-[(5-methyl-1h-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2h)-one
+CN(c1ccccc1/C=N/c2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C	P9K	n-methyl-n-(2-{[2-(2-oxo-2,3-dihydro-1h-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
+CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3	P9L	1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1h)-one
+Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3C)C	P9M	n-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C	P9N	pregnanolone
+c1cc(c(cc1N(=O)=O)Cl)O	P9P	2-chloranyl-4-nitro-phenol
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)NCCCCCCCCN	P9Q	(1~{s},2~{r},3~{r},4~{r},5~{r})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
+C([C@H](CSC[C@@H](C(=O)O)N)O)O	P9S	dihydroxypropylcysteine
+c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F	P9T	[(5,7-difluoro-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+CSCC[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O	P9V	(2r,3s,4s,5r)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol
+c1cc(ccc1OCCCn2ccnc2)Cl	P9Y	1-[3-(4-chlorophenoxy)propyl]-1h-imidazole
+c1ccc(cc1)[As]=O	PA0	phenylarsine oxide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O	PA1	2-amino-2-deoxy-alpha-d-glucopyranose
+C1[C@@H](C[C@@H]([C@H]([C@@H]1N)O)O)N	PA2	paromomycin (ring 2)
+C1[C@H](CO[C@@H]1CO)O	PA3	paromomycin (ring 3)
+C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)N	PA4	paromomycin (ring 4)
+C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O	PA5	5-phosphoarabinonic acid
+CCCCC(=O)OC[C@H](COP(=O)(O)O)OC=O	PA6	(r)-2-(formyloxy)-3-(phosphonooxy)propyl pentanoate
+CCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	PA7	n-propyl carboxyamido adenosine
+CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCC	PA8	1,2-dioctanoyl-sn-glycero-3-phosphate
+CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O	PA9	n~2~-acetyl-n~5~-(phosphonoacetyl)-l-ornithine
+c1cc(ccc1C(=O)O)N	PAB	4-aminobenzoic acid
+c1ccc(cc1)CC(=O)O	PAC	2-phenylacetic acid
+c1cc([nH+]c(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O	PAD	5-beta-d-ribofuranosylpicolinamide adenine-dinucleotide
+C(C(=O)O)P(=O)(O)O	PAE	phosphonoacetic acid
+CC(C)(CO)[C@H](C(=O)[O-])O	PAF	pantoate
+C([C@H](C(=O)O)OP(=O)(O)O)O	PAG	2-phospho-d-glyceric acid
+C(C(=O)NO)P(=O)(O)O	PAH	phosphonoacetohydroxamic acid
+C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[N@](CC(O)O)CP(=O)(O)O	PAI	{[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid
+CC(C)(CO)[C@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	PAJ	pantoyl adenylate
+c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)C#N)CC(=O)N2	PAK	9-cyano paullone
+C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O	PAL	n-(phosphonacetyl)-l-aspartic acid
+CCCCCC\C=C/CCCCCCCC(=O)O	PAM	palmitoleic acid
+C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O	PAN	5-phospho-d-arabinohydroxamic acid
+C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O	PAO	n-(phosphonoacetyl)-l-ornithine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N	PAP	3'-phosphate-adenosine-5'-diphosphate
+c1ccnc(c1)NNC2=CC(C(=O)C=C2O)C[C@@H](C(=O)O)N	PAQ	2-oxy-4-hydroxy-5-(2-hydrazinopyridine)phenylalanine
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N	PAR	paromomycin
+C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O	PAS	2-amino-4-oxo-4-phosphonooxy-butyric acid
+c1ccc2c(c1)c(c[nH]2)C[C@@](C(=O)O)(N)P(=O)(O)O	PAT	alpha-phosphono-tryptophan
+CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O	PAU	pantothenoic acid
+C[C@@]1(C([C@H](CO1)O)(O)O)O	PAV	(2r,4s)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
+C(CNCCNCCNCCN)N	PAW	n-(2-aminoethyl)-n'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O	PAX	5'-phosphothymidine (3'-5')-pyrophosphate adenosine 3'-phosphate
+C[C@@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	PAY	octane-1,3,5,7-tetracarboxylic acid
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O	PAZ	n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine
+[Pb+2]	PB	lead (ii) ion
+CCCO[C@@H]1C[C@@H](NC1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)[C@H](CCc3ccccc3)N4CC[C@@](C4=O)(CC(C)C)NC(=O)C)O	PB0	(2s)-2-[(3r)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-n-{(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2r,4r)-4-propoxypyrrolidin-2-yl]propan-2-yl}-4-phenylbutanamide
+C(CC(=O)O)[C@H](CN)[C@H](CCN)CC(=O)O	PB1	3-(2-aminoethyl)-4-(aminomethyl)heptanedioic acid
+c1ccc(cc1)c2ccc(cc2)Cn3ccnc3	PB2	1-(biphenyl-4-ylmethyl)-1h-imidazole
+Cc1cccc(c1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccc(c3)C	PB3	n,n'-bis(3-methylbenzyl)pyrimidine-4,6-dicarboxamide
+Cc1cc(ccc1F)CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(c(c3)C)F	PB4	n,n'-bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide
+c1cc(cnc1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccnc3	PB5	n,n'-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide
+CC/C=C/c1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O	PB6	3-[(1e)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium
+CC[C@H](C)[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O)NC(=O)C	PB7	(2s)-2-{(3s)-3-(acetylamino)-3-[(2s)-butan-2-yl]-2-oxopyrrolidin-1-yl}-n-{(2s,3r)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide
+CC(C)C[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4Cc5ccccc5CN4)O)NC(=O)C	PB8	(2s)-2-[(3r)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-n-{(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3r)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide
+Cn1cncc1CN2C[C@H](Cc3c2ccc(c3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)c5ccccn5	PB9	methyl 4-{[{(3s)-6-cyano-1-[(1-methyl-1h-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridin-2-ylsulfonyl)amino]methyl}piperidine-1-carboxylate
+B(CCc1ccccc1)(O)O	PBA	phenylethane boronic acid
+c1cc(ccc1CSC[C@@H](C(=O)O)N)Br	PBB	s-(4-bromobenzyl)cysteine
+B(c1ccccc1)(O)O	PBC	phenyl boronic acid
+COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2	PBD	1-(3,4-dimethoxyphenyl)-3-[3-(1h-imidazol-1-yl)propyl]thiourea
+C[N+]1(CCC[C@H]1C(=O)O)C	PBE	1,1-dimethyl-prolinium
+c1ccc(cc1)C(=O)c2ccc(cc2)C[C@@H](C(=O)O)N	PBF	para-(benzoyl)-phenylalanine
+c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O	PBG	3-[5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic acid
+CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc(cc4)OCCCOc5cc6c(cc5OC)C(=O)N7CCC[C@H]7CN6	PBH	(11as)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
+C1=CC(=O)C=CC1CC2C(=O)N(C(=N2)CN)CC=O	PBI	[2-aminomethyl-5-oxo-4-(4-oxo-cyclohexa-2,5-dienylmethyl)-4,5-dihydro-imidazol-1-yl] -acetaldehyde
+CCCCCCCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	PBK	5'-o-[(r)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine
+CC(CC(C)(O)O)(O)O	PBL	pentane-2,2,4,4-tetrol
+C[Pb+](C)C	PBM	trimethyl lead ion
+c1ccc(cc1)CCCCN	PBN	4-phenylbutylamine
+CCCC(=O)c1cccnc1	PBO	1-pyridin-3-ylbutan-1-one
+c1cc(ccc1C(=O)CBr)Br	PBP	p-bromophenacyl bromide
+c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Br)Br	PBQ	pentabromopseudilin
+c1(c(c(c(c(c1Br)Br)Br)Br)Br)O	PBR	pentabromophenol
+CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O	PBS	(2s,3s,4r)-n-octanoyl-1-[(alpha-d-galactopyranosyl)oxy]-2-amino-octadecane-3,4-diol
+C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	PBT	[3-hydroxy-5-(5-methyl-2,4-dioxotetrahydro-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen phosphate
+CCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC	PBU	(2r)-3-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1 ,2-diyl dibutanoate
+CCc1cccc(n1)N	PBV	6-ethylpyridin-2-amine
+C(C1[C@H]([C@@H](C(C([C@H]1O)O)O)O)O)O	PBW	(1~{s},4~{s},5~{r})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
+c1cc(c(c(c1O)O)O)Br	PBX	4-bromobenzene-1,2,3-triol
+c1cc(cc(c1)Cl)Nc2cc(ncn2)N	PBY	n~4~-(3-chlorophenyl)pyrimidine-4,6-diamine
+c1cc(ccc1C(=[NH2+])N)N	PBZ	p-amino benzamidine
+C[N+](C)(C)CCOP(=O)(O)O	PC	phosphocholine
+CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C	PC0	1-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]-3-(5-methylpyridin-2-yl)thiourea
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	PC1	1,2-diacyl-sn-glycero-3-phosphocholine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC	PC2	di-stearoyl-3-sn-phosphatidylcholine
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Co]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C	PC3	coproporphyrin i containing co(iii)
+Cl[Pt-2](Cl)(Cl)Cl	PC4	tetrachloroplatinate(ii)
+CCCCC(=O)OC[C@H](COP(=S)(OCC[N+](C)(C)C)[S-])OC(=O)CCCC	PC5	1,2-di-n-pentanoyl-sn-glycero-3-dithiophosphocholine
+CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P@@](=O)([O-])OCC[N+](C)(C)C	PC6	7-[(dodecanoyloxy)methyl]-4-hydroxy-n,n,n-trimethyl-9-oxo-3,5,8-trioxa-4-phosphadotriacontan-1-aminium 4-oxide
+CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@](=O)(O)OCC[N+](C)(C)C	PC7	(7s)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide
+CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC	PC8	1,2-dioctanoyl-sn-glycero-3-phosphocholine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC[C@@H]([C@H](CCCCCCCCCCC)Br)Br	PC9	(7r,14s)-14,15-dibromo-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide
+C1CC(=O)N[C@@H]1C(=O)O	PCA	pyroglutamic acid
+CS(=O)(=O)c1cc(c(cc1Cl)c2cc(c(cc2Cl)S(=O)(=O)C)Cl)Cl	PCB	4,4'-bis([h]methylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl
+C1CC(=O)N[C@@H]1C(=O)O	PCC	5-oxoproline
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O	PCD	(molybdopterin-cytosine dinucleotide-s,s)-dioxo-aqua-molybdenum(v)
+C#CCC(C[C@H]([C@H](CC1CCCCC1)N)O)C(=O)O	PCE	2-(3-amino-4-cyclohexyl-2-hydroxy-butyl)-pent-4-ynoic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC	PCF	1,2-diacyl-sn-glycero-3-phoshocholine
+c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N	PCG	cyclic guanosine monophosphate
+c1cnccc1OC[C@@H]([C@H](CC2CCCCC2)N)O	PCH	3-amino-4-cyclohexyl-1-(pyridin-4-yloxy)butan-2-ol
+c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O	PCI	pentachlorophenol
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	PCJ	(2r)-3-{[(2s)-3-hydroxy-2-(palmitoylamino)propyl]thio}propane-1,2-diyl dihexadecanoate
+CCCCCCCC[C@H]([C@H](CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br)Br)Br	PCK	(7r,18s,19r)-18,19-dibromo-7-{[(9s,10s)-9,10-dibromooctadecanoyl]oxy}-4-hydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-p hosphaheptacosan-1-aminium 4-oxide
+Cl[Pt]Cl	PCL	platinum(ii) di-chloride
+CC(C)C[C@@H](C(=O)N[C@@H]1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3	PCM	1-[n[(phenylmethoxy)carbonyl]-l-leucyl-4-[[n/n-[(phenylmethoxy)carbonyl]-/nl-leucyl]amino]-3-pyrrolidinone/n
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)/C(=N\OC)/c2csc(n2)N)C(=O)O)C	PCN	2-{1-[2-(2-amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid
+CC(C)(CO)[C@H](C(=O)NCCC(=O)N\C=C/S)O	PCO	2,4-dihydroxy-n-[2-(2-mercapto-vinylcarbamoyl)-ethyl]-3,3-dimethyl-butyramide
+C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O	PCP	1-alpha-pyrophosphoryl-2-alpha,3-alpha-dihydroxy-4-beta-cyclopentane-methanol-5-phosphate
+c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl	PCQ	3,5,3',5'-tetrachloro-biphenyl-4,4'-diol
+Cc1ccc(cc1)O	PCR	p-cresol
+c1ccc(cc1)C[C@@H](C(=O)CCl)N	PCS	phenylalanylmethylchloride
+C(C(=O)N)P(=O)(O)O	PCT	phosphonoacetamide
+CN1C=CC(=C2c3ccc4n3[Cu]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1	PCU	cu(ii)meso(4-n-tetramethylpyridyl)porphyrin
+C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O	PCV	5-amino-3-hydroxy-2-(2-oxo-azetidin-1-yl)-pentanoic acid
+CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC	PCW	1,2-dioleoyl-sn-glycero-3-phosphocholine
+[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N1CCC1=O	PCX	deoxyguanidinoproclavaminic acid
+Cc1cccc(c1C(=O)OC[C@]2([C@H]([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O)N(C)C)N)Nc3cccc(c3)C(=O)C)O)O	PCY	pactamycin
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O	PCZ	(2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+[Pd+2]	PD	palladium ion
+CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC	PD1	1-tert-butyl-3-[6-(3,5-dimethoxy-phenyl)-2-(4-diethylamino-butylamino)-pyrido[2,3-d]pyrimidin-7-yl]-urea
+c1cnc(cc1C(=O)O)C(=O)O	PD2	pyridine-2,4-dicarboxylic acid
+c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3c4c(ncnc4n(n3)C5CCCC5)N	PD3	1-{3-[(4-amino-1-cyclopentyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
+CCCOCCN1c2c(ccc(n2)c3ccc(nc3)OC)N=C(C1=O)NCCN4CCOCC4	PD4	6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4h)-one
+CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(F)(F)F)c(ncn2)N	PD5	1-{4-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
+CCCCN1C=CC(=O)c2c1cc(nc2N)c3ccccc3	PD6	5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1h)-one
+CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC	PD7	(2r)-3-(phosphonooxy)propane-1,2-diyl diheptanoate
+c1cc(ccc1C(=O)OP(=O)(O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N	PD8	phosphorylated dihydropteroate
+CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#N	PD9	(~{e})-2-cyano-~{n},~{n}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O	PDA	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-propionic acid
+C[C@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F	PDB	1-(2-chlorophenyl)-6-[(2r)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+c1cc(nc(c1)C(=O)O)C(=O)O	PDC	pyridine-2,6-dicarboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O	PDD	n-(5'-phosphopyridoxyl)-d-alanine
+C[C@@H](C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]	PDE	para-nitrophenyl phosphonobutanoyl d-alanine
+C1[C@H](NCC1(F)F)C(=O)O	PDF	4,4-difluoro-l-proline
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O	PDG	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-d-glutamic acid
+c1ccc(cc1)C[C@H](CO)N	PDH	(2s)-2-amino-3-phenyl-1-propanol
+C(CO)COP(=O)(O)O	PDI	phosphoric acid mono-(3-hydroxy-propyl) ester
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](CO)N)OC(=O)CCCCCCCCCCCCCCC	PDJ	(2r)-3-{[(2r)-2-amino-3-hydroxypropyl]thio}propane-1,2-diyl dihexadecanoate
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCNC(=O)C[N@](CC[N@@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)OC(=O)CCCCCCCCCCCCC	PDK	(10s,13r)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O	PDL	n-(5'-phosphopyridoxyl)-l-alanine
+c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O	PDM	4-[4-(2,5-dioxo-pyrrolidin-1-yl)-phenylamino]-4-hydroxy-butyric acid
+C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C	PDN	17,21-dihydroxypregna-1,4-diene-3,11,20-trione
+C(CO)CO	PDO	1,3-propandiol
+Cc1c(c(c(cn1)CO[P@](=O)(O)OP(=O)(O)O)C=O)O	PDP	pyridoxal-5'-diphosphate
+Cc1c2c(cc(c1N3CC[C@H](C3)[C@H](C)N)F)C(=O)N(C(=O)N2C4CC4)N	PDQ	3-amino-7-{(3r)-3-[(1s)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1h,3h)-dione
+Cn1cc(c2c1cc(c(n2)OC)OC)c3cc4c(ccnc4[nH]3)Cl	PDR	3-(4-chloro-1h-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1h-pyrrolo[3,2-b]pyridine
+Cc1c(c2ccccc2[nH]1)C3=C(C(=O)NC3=O)c4c(n(c5c4cccc5)CCCN(C)C)C	PDS	3-{1-[3-(dimethylamino)propyl]-2-methyl-1h-indol-3-yl}-4-(2-methyl-1h-indol-3-yl)-1h-pyrrole-2,5-dione
+C(CS)CS	PDT	1,3-propanedithiol
+CC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	PDU	5(1-propynyl)-2'-deoxyuridine-5-monophosphate
+O[V]1(O[V](O1)([O-])[O-])([O-])[O-]	PDV	divanadate ion
+COC(=O)[C@H]1CCCN1	PDW	methyl d-prolinate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O	PDX	2,3-di-o-sulfo-alpha-d-glucopyranose
+CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)N[C@H]4CCCNC4)C	PDY	n~7~-(4-ethoxyphenyl)-6-methyl-n~5~-[(3s)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
+c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3)Cl	PDZ	6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2h)-one
+c1cnc2c(n1)C(=O)NC(=N2)N	PE0	pterine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCCN)C(=O)O)O	PE1	n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-lysine
+c1nc2c(n1CCC(CO)CO)N=C(NC2=O)N	PE2	9-(4-hydroxy-3-(hydroxymethyl)but-1-yl)guanine
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	PE3	3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol
+CCOCCOCCOCCOCCOCCOCCOCCO	PE4	2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol
+CCOCCOCCOCCOCCOCCOCCOCCOCCO	PE5	3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
+C(COCCOCCOCCOCCOCCOP(=O)(O)O)O	PE6	phosphoryl-hexaethylene glycol
+C(COCCOCCOCCOCCOCCOCCS)O	PE7	1-deoxy-1-thio-heptaethylene glycol
+C(COCCOCCOCCOCCOCCOCCOCCO)O	PE8	3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol
+CCCCCO	PE9	pentan-1-ol
+c1ccc(cc1)CC[NH3+]	PEA	2-phenylethylamine
+CC[C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C	PEB	phycoerythrobilin
+CCCCCSSC[C@@H](C(=O)O)N	PEC	s,s-pentylthiocysteine
+CC[C@@H]([C@@H](COP(=O)(O)O)O)O	PED	pentane-3,4-diol-5-phosphate
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC	PEE	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC	PEF	di-palmitoyl-3-sn-phosphatidylethanolamine
+C(COCCO)O	PEG	di(hydroxyethyl)ether
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC	PEH	di-stearoyl-3-sn-phosphatidylethanolamine
+CCCCC(=O)O	PEI	pentanoic acid
+[O-]I(=O)(=O)=O	PEJ	periodate
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC	PEK	(1s)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(stearoyloxy)methyl]ethyl (5e,8e,11e,14e)-icosa-5,8,11,14-tetraenoate
+c1ccc(cc1)CCO	PEL	2-phenyl-ethanol
+CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl	PEM	2-[p-[2-p-chlorobenzamido)ethyl]phenoxy]-2-methylpropionic acid
+OO	PEO	hydrogen peroxide
+C=C(C(=O)O)OP(=O)(O)O	PEP	phosphoenolpyruvate
+C[C@@H](C(=O)O)OP(=O)(O)O	PEQ	l-phospholactate
+[O-][O-]	PER	peroxide ion
+[H]/N=C(\c1ccc(cc1)OCCOCCOc2ccc(cc2)C(=N)N)/N	PET	1,5-di(4-amidinophenoxy)-3-oxa-pentane
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	PEU	2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol
+CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN	PEV	(1s)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br	PEW	(1r)-2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (9s,10s)-9,10-dibromooctadecanoate
+CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCCCCCC	PEX	1,2-didecanoyl-sn-glycero-3-phosphoethanolamine
+c1ccc2c(c1)ccc3c2cccc3	PEY	phenanthrene
+CCC(C(=O)O)OP(=O)(O)O	PEZ	2-(phosphonooxy)butanoic acid
+c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N	PF	proflavine
+Cc1c(cccc1O)C(=O)O	PF0	3-hydroxy-2-methylbenzoic acid
+Cc1ncc(c(n1)N)CN(CCO)C=O	PF1	n-[(4-amino-2-methylpyrimidin-5-yl)methyl]-n-(2-hydroxyethyl)formamide
+c1cnc(nc1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCC(C4)(F)F	PF2	2-(4-{(3s,5s)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine
+c1ccc(cc1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(cc3)c4ccncc4	PF3	(2r)-3-({[4-[(pyridin-4-yl)phenyl]-thien-2-yl}carboxamido)(phenyl)propanoic acid
+COc1ccc(cc1)c2c(nc([nH]2)c3cccs3)c4ccc(cc4)OC	PF4	4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1h-imidazole
+C(c1c(c(c(c(c1F)F)F)F)F)[C@@H](C(=O)O)N	PF5	2,3,4,5,6-pentafluoro-l-phenylalanine
+c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)Cc5ccncc5	PF6	2-({4-[4-(pyridin-4-ylmethyl)-1h-pyrazol-3-yl]phenoxy}methyl)quinoline
+c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)O	PF7	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
+c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)c5ccncc5	PF8	2-{[4-(4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline
+Cn1cc(c(n1)c2ccc(cc2)OCc3ccc4ccccc4n3)c5ccncc5	PF9	2-{[4-(1-methyl-4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline
+Cc1cc(cc(c1Oc2ccc(c(c2)C(C)C)O)C)N3C(=O)NC(=O)C=N3	PFA	[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-6-azauracil
+C(c1c(c(c(c(c1F)F)F)F)F)O	PFB	2,3,4,5,6-pentafluorobenzyl alcohol
+CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)Cc7ccccc7)C	PFC	phenylferricrocin-iron
+CCOCCC1(C(=O)NC(=O)NC1=O)Oc2ccc(cc2)Oc3ccc(cc3)F	PFD	5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]pyrimidine-2,4,6(1h,3h,5h)-trione
+CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)c4csc(n4)CO	PFE	{4-[3-(6,7-diethoxy-quinazolin-4-ylamino)-phenyl]-thiazol-2-yl}-methanol
+c1cc(ccc1C[C@@H](C(=O)O)N)F	PFF	4-fluoro-l-phenylalanine
+C#CC[N@](Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O	PFG	10-parpargyl-5,8-dideazafolate-4-glutamic acid
+COc1cc2c(cc1OC)ncnc2[N@]3CC[C@H](C3)Oc4ccc5ccccc5c4	PFH	6,7-dimethoxy-4-[(3r)-3-(2-naphthyloxy)pyrrolidin-1-yl]quinazoline
+CC(C)Oc1ccc(cc1F)CC[C@]2(CC(=CC(=O)O2)O)C3CCCC3	PFI	(6s)-6-cyclopentyl-6-[2-(3-fluoro-4-isopropoxyphenyl)ethyl]-4-hydroxy-5,6-dihydro-2h-pyran-2-one
+COc1cc2c(cc1OC)ncnc2N3CC[C@H](C3)Oc4cnc5ccccc5n4	PFJ	6,7-dimethoxy-4-[(3r)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline
+COc1cc2cncnc2cc1OCCc3ccc4ccccc4n3	PFK	6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline
+CC(C)c1cccc(c1O)C(C)C	PFL	2,6-bis(1-methylethyl)phenol
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C(=C\C[C@@H](C(=O)O)N)\O)O	PFM	1-amino-7-(2-methyl-3-oxido-5-((phosphonoxy)methyl)-4-pyridoxal-5-oxo-6-heptenate
+C[C@H](c1cccc(c1)Oc2ccccc2)C(=O)O	PFN	fenoprofen
+c1cc(ccc1c2c(n(cn2)C3CCN(CC3)Cc4ccon4)c5ccnc(n5)N)F	PFO	4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1h-imidazol-5-yl}pyrimidin-2-amine
+COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)NCCO	PFP	2-[5,6-bis-(4-methoxy-phenyl)-furo[2,3-d]pyrimidin-4-ylamino]-ethanol
+c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO	PFQ	2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol
+COc1cc2c(cc1OCCc3ccccn3)c(ncn2)[N@]4CCC[C@H](C4)c5ccccc5	PFR	7-methoxy-4-[(3s)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline
+CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C	PFS	(2r)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
+c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O	PFT	4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)benzene-1,3-diol
+C([C@@H]1[C@H]([C@H]([C@@H](O1)c2c(c([nH]n2)C(=O)N)O)O)O)OP(=O)(O)O	PFU	(1s)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1h-pyrazol-3-yl)-5-o-phosphono-d-ribitol
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(=O)NCC2=CC(=O)C(=CN2O)O)NS(=O)(=O)O	PFV	(6r,7s,10z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid
+COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)[N@]5CCC[C@H](C5)c6ccccc6	PFW	7-methoxy-4-[(3s)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline
+c1cc(ccc1C[C@@H](C(=O)NCCOCCOCC(=O)O)[NH3+])P(=O)(O)O	PFX	(2s)-1-({2-[2-(carboxymethoxy)ethoxy]ethyl}amino)-1-oxo-3-(4-phosphonophenyl)propan-2-aminium
+Cc1c([nH]c(c1C(=O)N2CCC[C@H]2CN3CCCC3)C)\C=C/4\c5cc(ccc5NC4=O)S(=O)(=O)Cc6c(cccc6Cl)Cl	PFY	(3z)-5-[(2,6-dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2s)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one
+CCCCCC[C@](Cn1ccnc1)(c2ccc(cc2Cl)Cl)O	PFZ	1-(n-imidazolyl)-2-hydroxy-2-(2,3-dichlorophenyl)octane
+COCCOCCO	PG0	2-(2-methoxyethoxy)ethanol
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H](C(=O)[O-])N)NC(=O)Cc2ccccc2)C(=O)[O-])C	PG1	penicillin g acyl-serine
+CCCCC[C@@H](\C=C\[C@@H]1[C@H]([C@H](CC1=O)O)C\C=C/CCCC(=O)O)O	PG2	prostaglandin d2
+C(CNC(=[NH2+])N)CO	PG3	guanidine-3-propanol
+C(COCCOCCOCCO)O	PG4	tetraethylene glycol
+COCCOCCOCCOC	PG5	1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane
+COCCOCCOCCOCCOCCOC	PG6	1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2O)N	PG7	((2r,3r,5r)-5-(2-amino-6-hydroxy-9h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate
+CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC	PG8	1,2-dioctanoyl-sn-glycero-3-[phospho-rac-(1-glycerol)
+c1ccc(cc1)[C@H](C(=O)O)N	PG9	d-phenylglycine
+C(C(=O)O)OP(=O)(O)O	PGA	2-phosphoglycolic acid
+C(C(=O)NO)OP(=O)(O)O	PGC	o-phosphoglycolohydroxamate
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N	PGD	2-amino-5,6-dimercapto-7-methyl-3,7,8a,9-tetrahydro-8-oxa-1,3,9,10-tetraaza-anthracen-4-one guanosine dinucleotide
+C(COCCOCCO)O	PGE	triethylene glycol
+CCOCCOCCOCCOC	PGF	2,5,8,11-tetraoxatridecane
+c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCC(=O)O)O	PGG	para-nitrophenylphosphonobutanoyl-glycine
+C(C(=O)NO)OP(=O)(O)O	PGH	phosphoglycolohydroxamic acid
+c1ccc(cc1)CCc2c[n+]3c([nH]2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O	PGI	(5r,6r,7s,8s)-5-(hydroxymethyl)-2-(2-phenylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-6,7,8-triol
+CCOC[N@]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O	PGJ	2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]isoxazol-5(2h)-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br	PGK	(1r)-2-{[{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (9s,10s)-9,10-dibromooctadecanoate
+C(N)P(=O)(O)O	PGL	(aminomethyl)phosphonic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O	PGM	1-myristoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)]
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N=C(NC2=O)N	PGN	2'-deoxyguanosine-3',5'-diphosphate
+C[C@@H](CO)O	PGO	s-1,2-propanediol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N	PGP	guanosine-3',5'-diphosphate
+C[C@@H](CO)O	PGQ	s-1,2-propanediol
+C[C@H](CO)O	PGR	r-1,2-propanediol
+c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O	PGS	2-deazo-6-thiophosphate guanosine-5'-monophosphate
+CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O	PGT	(1s)-2-{[{[(2r)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl stearate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O	PGU	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-glutamic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC\C=C/CCCCCC	PGV	(1r)-2-{[{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (11e)-octadec-11-enoate
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC	PGW	(1r)-2-{[(s)-{[(2s)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9z)-octadec-9-enoate
+CCCCC[C@@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)OO2)OO	PGX	7-[6-(3-hydroperoxy-oct-1-enyl)-2,3-dioxa-bicyclo[2.2.1]hept-5-yl]-hept-5-enoic acid
+c1ccc(cc1)[C@H](C(=O)O)N	PGY	phenylglycine
+Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OP(=O)(O)OCc3ccccc3)SC)CO)O	PGZ	methyl 2-o-[(s)-(benzyloxy)(hydroxy)phosphoryl]-3-deoxy-3-{[(4-methylphenyl)carbonyl]amino}-1-thio-beta-d-galactopyranoside
+c1ccc(cc1)C[C@H](C[P@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O	PH0	n-{(2s)-3-[(r)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-l-phenylalanine
+CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C	PH1	1,2-[di-2,6,10,14-tetramethyl-hexadecan-16-oxy]-propane
+C1C(=NC2=C(N1)N=C(NC2=O)N)CO	PH2	2-amino-6-hydroxymethyl-7,8-dihydro-3h-pteridin-4-one
+c1cc(ccc1NC(=N)NO)Cl	PH3	n-(chlorophenyl)-n'-hydroxyguanidine
+C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O	PH4	3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate
+CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O	PH5	benzyl 3,5-dideoxy-5-(propanoylamino)-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+C1CCC(CC1)[C@@H]2C[C@H](NC2)C(=O)O	PH6	(4s)-4-cyclohexyl-l-proline
+c1ccc(cc1)C(=O)N/C(=C\c2ccc(cc2)Oc3ccccc3Br)/C(=O)O	PH7	(2z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic acid
+c1ccc(cc1)CCC[C@@H](C(=O)O)N	PH8	5-phenyl-l-norvaline
+c1ccc(c(c1)Oc2ccc(cc2)CC(C(=O)O)NC(=O)C34CC5CC(C3)CC(C5)C4)Br	PH9	(2z)-2-[(1-adamantylcarbonyl)amino]-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid
+c1ccc(cc1)C[C@@H](C=O)N	PHA	phenylalaninal
+c1cc(ccc1C(=O)O)O	PHB	p-hydroxybenzoic acid
+C[C@@H](c1ccccc1)N(C)C=O	PHC	n-methyl-n-(methylbenzyl)formamide
+C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O	PHD	aspartyl phosphate
+c1ccc(cc1)C[C@@H](C(=O)O)N	PHE	phenylalanine
+c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-]	PHE_LEO2	l-phenylalanine c-terminal deprotonated fragment
+c1ccc(cc1)C[C@@H](C(=O)O)[NH-]	PHE_LEO2H	l-phenylalanine c-terminal protonated fragment
+c1ccc(cc1)C[C@@H](C(=O)O)N	PHE_LFOH	l-phenylalanine free neutral
+c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+]	PHE_LFZW	l-phenylalanine free zwitterion
+c1ccc(cc1)C[C@@H]([C-]=O)[NH-]	PHE_LL	l-phenylalanine - linking embedded fragment
+c1ccc(cc1)C[C@@H]([C-]=O)[NH3+]	PHE_LSN3	l-phenylalanine n-terminal protonated fragment
+O[Hf]12(O[Hf]34([O@@]15[Hf]67(O3)(O[P@@]8(=O)O[Hf]9(O6)([O@@]7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O	PHF	hf-oxo-phosphate cluster phf
+c1ccc(cc1)[Hg]	PHG	phenylmercury
+C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1	PHH	4,5,6,7-tetrachloro-phthalide
+c1cc(ccc1C[C@@H](C(=O)O)N)I	PHI	iodo-phenylalanine
+c1ccc(cc1)NC(=O)ON	PHJ	n-[(aminooxy)carbonyl]-n-phenylamine
+c1ccc(cc1)C[C@@H]([C@H](CCl)O)N	PHK	(2r,3s)-3-amino-1-chloro-4-phenyl-butan-2-ol
+c1ccc(cc1)C[C@@H](CO)N	PHL	l-phenylalaninol
+c1ccc(cc1)C[C@@H](C(=O)CCl)N	PHM	(3s)-3-amino-1-chloro-4-phenylbutan-2-one
+c1cc2ccc3cccnc3c2nc1	PHN	1,10-phenanthroline
+CCC1=C(/c/2c/c3c(c(c([nH]3)/cc/4\nc(c5c6c(c(/c(/[nH]6)c/c1n2)C)C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C=C)C	PHO	pheophytin a
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3)O)NC(=O)OCc4ccccc4	PHP	(2-phenyl-1-carbobenzyl-oxyvalyl-amino)-ethyl-phosphinic acid
+c1ccc(cc1)COC(=O)Cl	PHQ	benzyl chlorocarbonate
+C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O	PHR	3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl ) hexane 1-phosphate
+OP(=O)O	PHS	phosphonic acid
+c1ccc(c(c1)C(=O)O)C(=O)O	PHT	phthalic acid
+c1ccc(cc1)NC(=O)N	PHU	1-phenylurea
+COCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(=O)(O)O	PHV	n-[(benzyloxy)carbonyl]-beta-phenyl-d-phenylalanyl-n-[(1s)-4-methoxy-1-phosphonobutyl]-l-prolinamide
+CO/C=C/C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(O)(O)(Oc5ccccc5)Oc6ccccc6	PHW	n-[(benzyloxy)carbonyl]-beta-phenyl-d-phenylalanyl-n-{(1s,3e)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-l-prolinamide
+c1ccc(cc1)C2=NC(=CNCCCC(=O)O)C(=O)O2	PHX	4-{[(z)-(5-oxo-2-phenyl-1,3-oxazol-4(5h)-ylidene)methyl]amino}butanoic acid
+C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)(O)O)C(=O)O	PHY	1(s)-aminoethyl-(2-carboxypropyl)phosphoryl-phosphinic acid
+c1ccc(cc1)NN	PHZ	1-phenylhydrazine
+OP(=O)([O-])[O-]	PI	hydrogenphosphate ion
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]([C@H](C)CC)NS(=O)(=O)Cc2ccccc2)\N	PI0	(2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r,3r)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C[C@@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O	PI1	1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-yl)-2-hydroxy-ethyl] -pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-2-methyl-propylcarbamoyl) -2-methyl-butyl]-amide
+CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)CC(=O)N)O	PI2	2-{11-[1-hydroxy-2-(3-methyl-butylamino)-ethyl] -6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca- 1(16),13(17),14-trien-8-yl}-acetamide
+CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)C(C)C)O	PI3	11-[1-hydroxy-2-(3-methyl-butylamino)-ethyl]-8-isopropyl-2-oxa-7,10- diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-6,9-dione
+CC(C)(C)NC(=O)[C@@H]1CCCC[N@]1C[C@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O	PI4	1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca- 1(16),13(17),14-trien-11-yl)-2-hydroxy-ethyl]-piperidine-2-carboxylic acid tert-butylamide
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)N4CCCC4=O)O	PI5	n-[3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14- trien-11-ylamino)-2-hydroxy-1-(4-hydroxy-benzyl)-propyl]-3-methyl-2- (2-oxo-pyrrolidin-1-yl)-butyramide
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O	PI6	[1-benzyl-3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-ylamino)-2-hydroxy-propyl]-carbamic acid tert-butyl ester
+CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)NC(=O)CC)O	PI7	n-[3-(8-sec-butyl-7,10-dioxo-2-oxa-6,9-diaza-bicyclo[11.2.2] heptadeca-1(16),13(17),14-trien-11-yamino)-2-hydroxy-1-(4-hydroxy-benzyl) -propyl]-3-methyl-2-propionylamino-butyramide
+CC[C@H](C)[C@H]1C(=O)NCCCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H](C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O)O	PI8	n-13-[(10s,13s)-9,12-dioxo-10-(2-butyl)-2-oxa-8,11-diazabicyclo [13.2.2] nonadeca-15,17,18-triene] (2r)-benzyl-(4s)-hydroxy-5-aminopentanoic (1r)-hydroxy-(2s)-indaneamide
+CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)c3ccc(cc3)N	PI9	(10s,13s,1'r)-13-[1'-hydroxy-2'-(n-p-aminobenzenesulfonyl-1''-amino-3''-methylbutyl)ethyl]-8,11-dioxo-10-isopropyl-2-oxa-9,12-diazabicyclo [13.2.2]nonadeca-15,17,18-triene
+C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N	PIA	[(4z)-2-[(1s)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+CCCC(=O)OC[C@@H](CO[P@](=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC	PIB	2-(butanoyloxy)-1-{[(hydroxy{[2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]methyl}ethyl butanoate
+c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O	PIC	6-(difluoro-phosphono-methyl)-naphthalene-2-carboxylic acid
+CC(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(C(=O)O1)\C=C\[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C	PID	peridinin
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C\CCCCCCCC	PIE	1,2-diacyl-sn-glycero-3-phosphoinositol
+CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC	PIF	(2r)-3-{[(s)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate
+C(COCCOCCO)O	PIG	2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethanol
+c1ccc(cc1)I	PIH	iodobenzene
+CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)O)O)O)O	PII	2-[(hydroxy{[(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-1-[(palmitoyloxy)methyl]ethyl heptadecanoate
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCCCCCC	PIK	(2s)-3-{[(r)-hydroxy{[(1r,2r,3s,4r,5r,6s)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate
+COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl	PIL	3-(cyclopentyloxy)-n-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide
+c1ccc(cc1)c2cnc[nH]2	PIM	4-phenyl-1h-imidazole
+C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O	PIN	piperazine-n,n'-bis(2-ethanesulfonic acid)
+CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC	PIO	[(2r)-2-octanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
+C1CCNCC1	PIP	piperidine
+Cn1c2cc(cnc2nc1N)c3ccccc3	PIQ	2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine
+c1cc(ccc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N	PIR	2-(4-amino-phenyl)-5-hydroxymethyl-pyrrolidine-3,4-diol
+OP(=O)(O)O[P@](=O)(O)[S-]	PIS	trihydrogen thiodiphosphate
+c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O	PIT	piceatannol
+Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(=O)(=O)N)C	PIU	1-{2-[4-(aminosulfonyl)phenyl]ethyl}-2,4,6-trimethylpyridinium
+CC(C)(C)C(=O)O	PIV	pivalic acid
+c1ccc(cc1)n2ccnc2	PIW	1-phenyl-1h-imidazole
+c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)O	PIX	4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
+c1ccc(cc1)c2[nH]ccn2	PIY	2-phenyl-1h-imidazole
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC	PIZ	(2s)-3-{[(r)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate
+CN(C[C@H](Cn1ccnc1)O)c2ccc(cc2)Cl	PJ1	(2r)-1-[(4-chlorophenyl)(methyl)amino]-3-(1h-imidazol-1-yl)propan-2-ol
+CCCCC[C@@H](C/C=C\1/[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O	PJ2	(5z,12z,15s)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid
+CN1CCN(CC1)C2c3ccccc3CC(=N2)Cl	PJ4	(1s)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline
+C1[C@H]([C@@H]([C@H]([C@H]1O)O)O)CO	PJ5	(1~{s},2~{s},3~{s},4~{s})-4-(hydroxymethyl)cyclopentane-1,2,3-triol
+c1c(coc1C(=O)O)N	PJ7	4-aminofuran-2-carboxylic acid
+CCCCCCCCCCCCCCCCC	PJ8	heptadecane
+Cc1cc(c(c2c1C(=O)Oc3c(c(cc(c3O2)C(=O)O)OC)C)C=O)O	PJA	4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11h-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid
+COc1ccc(c(c1)C2=NNC(=S)N2NCc3ccccc3C(=O)O)O	PJB	2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{h}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid
+c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c(cnc(n4)N5CCC(=O)CC5)C(F)(F)F	PJC	3-(1h-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1h-pyrrole-2,5-dione
+CS(=O)(=O)Cc1c(cccc1Cl)Cl	PJD	1,3-dichloro-2-[(methylsulfonyl)methyl]benzene
+C1CNC(=O)[C@@H]1C[C@@H](/C=C/C(=O)O)N	PJE	(e,4s)-4-azanyl-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid
+C1C2CC3CC1CC(C2)(C3)NCCN	PJG	n~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine
+CNC(=O)c1cccnc1	PJH	~{n}-methylpyridine-3-carboxamide
+c1ccc(cc1)C[C@H](C[C@@H]([C@H](Cc2ccccc2)N)O)C(=O)O	PJJ	(2r,4s,5s)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid
+c1cc(c(cc1N2CC[C@@H](C2)C(=O)O)C(F)(F)F)Cl	PJK	(3~{s})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
+C(/C=N/C(=O)/C=C/O)C(=O)O	PJL	(3~{e})-3-[(~{e})-3-oxidanylprop-2-enoyl]iminopropanoic acid
+c1cc(ccc1c2nnc(o2)c3cc(cc(c3)F)c4c(cncn4)F)C(=O)N[C@@H](Cn5ccnc5)c6ccc(cc6Cl)c7ccc(cc7)F	PJM	n-[(1r)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1h-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide
+CCN(CC)S(=O)(=O)c1ccc(cc1)C	PJP	n,n-diethyl-4-methylbenzene-1-sulfonamide
+CN1c2c(n(c(n2)Oc3cccc(c3)OC(F)(F)F)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO	PJQ	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione
+Cc1nccc(n1)C(=O)N(C)Cc2c(cccc2Cl)F	PJS	n-[(2-chloro-6-fluorophenyl)methyl]-n,2-dimethylpyrimidine-4-carboxamide
+Cc1cc2c(s1)N=C3[C@](C2=O)(CCN3c4ccc(cc4)N5CCOCC5)O	PJT	(9~{s})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one
+c1ccc(c(c1)Oc2cccnn2)Br	PJV	3-(2-bromophenoxy)pyridazine
+c1ccc2c(c1)-c3ccccc3I2	PJW	benzo[b][1]benziodole
+CN(C)C(=O)c1cccnc1SC	PJY	n,n-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide
+CCCCCCCCCCCC(=O)OC(C)COC(=O)CC/C=C/C=C/C=C/C=C/C=C/CC	PJZ	(2r)-2-(dodecanoyloxy)propyl (4e,6e,8e,10e,12e)-pentadeca-4,6,8,10,12-pentaenoate
+C[C@]1(C(=O)N(C(=O)N1C)c2ccc(c(c2)C(F)(F)F)C#N)c3ccc(cc3)O	PK0	4-[(4r)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
+C[C@]1(C(=O)N(C(=S)N1C)c2ccc(c(c2)Cl)Cl)c3ccc(cc3)O	PK1	(5r)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one
+CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC4)N=C(NC3=O)N	PK2	6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CNc1[nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N	PK3	6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+Cc1cccc(c1F)S(=O)(=O)NC	PK4	2-fluoro-n,3-dimethylbenzene-1-sulfonamide
+CCC1C(N2CC(CCC2N1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(C(=O)NC5=O)C	PK5	2-ethyl-~{n}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide
+CNS(=O)(=O)c1cccs1	PK6	n-methyl-2-thiophenesulfonamide
+c1cc(c(cc1CN)Cl)F	PK7	1-(3-chloro-4-fluorophenyl)methanamine
+c1cc[n+]2c(c1)S[Zn]O2	PK8	9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene
+CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1	PK9	tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate
+CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl	PKA	n-[(2r)-butan-2-yl]-1-(2-chlorophenyl)-n-methylisoquinoline-3-carboxamide
+CCOc1ccc2c(cnn2n1)c3ccnc(n3)Nc4cc(cc(c4)OC)C(F)(F)F	PKB	4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{n}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
+c1ccc(cc1)C[C@@H]([C@@H](CN)O)N	PKC	(2r,3s)-1,3-diamino-4-phenylbutan-2-ol
+c1cc(ccc1C(=O)N2CSC[C@@H]2C(=O)O)Cl	PKD	(4s)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
+CN(c1c(cccn1)CNc2ccnc(n2)Nc3ccc4c(c3)CC(=O)N4)S(=O)(=O)C	PKE	~{n}-methyl-~{n}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)N[P@@](=O)([C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]3CCCN3C(=O)OCc4ccccc4)O	PKF	carbobenzoxy-pro-lys-phe-y(po2)-ala-pro-ome
+CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3ccc4c(c3)CN(CC4)C(=O)c5ccccc5	PKG	(3s)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1h-benzotriazol-5-yl)propanoic acid
+Cc1ccc(cc1)c2csc3n2c(nn3)SCC(=O)Nc4ccc5c(c4)OCO5	PKJ	n-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
+Cc1ccc(cc1)c2csc3n2c(cn3)C(=O)NCCc4cccc(c4)Cl	PKL	n-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)OC(=O)C	PKM	4-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosonic acid
+CC1(CC(=C(C(=O)C1)c2ccc(cc2)Oc3nc4ccc(cc4s3)Cl)O)C	PKP	4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3h)-one
+C[N@@]1CCC[C@H]1C(=O)O	PKR	(2s)-1-methylpyrrolidine-2-carbaldehyde
+C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/Cc1c(c(cc(n1)OC)O)C)/C)O	PKS	2-[(2e,5e,7e,9r,10r,11e)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSCCC(=O)NCc3cccnc3	PKT	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate
+CNC(=O)c1cc(c[nH]1)Br	PKU	4-bromanyl-~{n}-methyl-1~{h}-pyrrole-2-carboxamide
+B(Cn1cc(nn1)CNS(=O)(=O)c2ccc(cc2)C)(O)OP(=O)(O)O	PKV	[4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
+B(Cn1cc(nn1)c2cccc(c2)C(=O)N)(O)OP(=O)(O)O	PKY	[4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
+CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	PKZ	palmitoyl-coa
+[H]/N=C(/N)\Nc1ccccc1	PL0	1-phenylguanidine
+Cc1c([n+](c(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)[Co]OO)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5ccccc5)O	PL1	cobalt (iii)-deglycopepleomycin
+[H]/N=C(/N)\NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O	PL2	(4-{[(4-{[amino(imino)methyl]amino}butyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+CCCCCCCCCCCCCCCCO	PL3	hexadecan-1-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O	PL4	(2s,6s)-2-amino-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]heptanedioic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O	PL5	(2s,6s)-2-amino-6-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}heptanedioic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](CCC(=O)O)C(=O)O)O	PL6	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-glutamic acid
+c1ccc(cc1)OCC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O	PL7	(2e)-2-({(2s)-2-carboxy-2-[(phenoxyacetyl)amino]ethoxy}imino)pentanedioic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CC=C(NC2=O)CCCO)O	PL8	[5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
+CC1=C(C(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C	PL9	2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl-2,5-cyclohexadiene-1,4-dione-2,3-dimethyl-5-solanesyl-1,4-benzoquinone
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O	PLA	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-succinic acid
+c1cnc(nc1)Oc2ccc(c(c2)C(=O)O)NC(=O)c3ccc(cc3Cl)Cl	PLB	2-[(2,4-dichlorobenzoyl)amino]-5-(pyrimidin-2-yloxy)benzoic acid
+CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC	PLC	diundecyl phosphatidyl choline
+CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC	PLD	di-heneicosanoyl phosphatidyl choline
+CC(C)C[C@H](N)P(=O)(O)O	PLE	[(1r)-1-amino-3-methylbutyl]phosphonic acid
+C[C@@H](C(=O)O)n1cc(nn1)[C@@H]2CCCN2	PLF	2-[5-(1-amino-2-methyl-butyl)-[1,2,3]triazol-1-yl]-propionic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O	PLG	n-glycine-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane]
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC	PLH	methylamino-phenylalanyl-leucyl-hydroxamic acid
+CC1=C(/C(=C\N=C(/C)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	PLI	(2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}propanoic acid
+COC(=O)[C@@H]1CCCN1	PLJ	methyl l-prolinate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CC(C)C)CC(=O)O)O	PLK	(3r)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-methylhexanoic acid
+C1C2[Pd]1C2	PLL	palladium(ii) allyl complex
+CCCCCCCCCCCCCCCC(=O)O	PLM	palmitic acid
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C	PLO	(3beta)-3-hydroxypregn-5-en-20-one
+Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O	PLP	pyridoxal-5'-phosphate
+C1=CC(=O)C=CC1=O	PLQ	1,4-benzoquinone
+Cc1c(cnc(c1O)C)COP(=O)(O)O	PLR	(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O	PLS	[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O	PLT	[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-l-tryptophane
+CC(C)C[C@H](N)P(=O)(O)O	PLU	leucine phosphonic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](COC)C(=O)O)O	PLV	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-o-methyl-l-serine
+CC[C@H](C)[C@@H](c1cnnn1[C@@H](C)C(=O)O)N	PLW	(2s)-2-[5-(1s,2s)-(1-amino-2-methyl-butyl)-[1,2,3]triazol-1-yl]-propionic acid
+CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@@H](CCCCCCCCCCCCCCC)O)CO[P@](=O)(O)OCC[N+](C)(C)C	PLX	(9r,11s)-9-({[(1s)-1-hydroxyhexadecyl]oxy}methyl)-2,2-dimethyl-5,7,10-trioxa-2lambda~5~-aza-6lambda~5~-phosphaoctacosane-6,6,11-triol
+CCCCCCCCCCCCCCCC=O	PLY	palmitoyl
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(=O)O)O	PLZ	4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@]4([C@@H](C3)[C@@H](C(=C(C4=O)C(=O)C)O)OC)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O	PM0	premithramycin b
+c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3)C(=O)c4c(cccc4F)F)N	PM1	[2-amino-6-(2,6-difluoro-benzoyl)-imidazo[1,2-a]pyridin-3-yl]-phenyl-methanone
+c1ccc(cc1)CCc2cc(cnc2)C(=O)N3CCC(CC3)c4cccc(c4)CN	PM2	1-[3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine
+c1cc(ccc1C[C@@H](C(=O)O)N)CP(=O)(O)O	PM3	2-amino-3-(4-phosphonomethyl-phenyl)-propionic acid
+CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O	PM4	s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) hexanethioate
+CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O	PM5	s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) heptanethioate
+c1[nH]c2c(n1)c(ncn2)S	PM6	9h-purine-6-thiol
+CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C	PM7	(5as,12as,13as)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1h,5h,6h-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
+CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@H](=O)O)O	PM8	s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-beta-alanyl]amino}ethyl) decanethioate
+CC1=C(/C(=C\N=C(/CCSC)\C(=O)O)/C(=CN1)COP(=O)(O)O)O	PM9	(2e)-2-{[(z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1h)-ylidene}methyl]imino}-4-(methylsulfanyl)butanoic acid
+c1c(c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O	PMA	pyromellitic acid
+c1cc(ccc1S(=O)(=O)O)[Hg]	PMB	para-mercury-benzenesulfonic acid
+c1cc(c(nc1)C(=O)O)CP(=O)(O)O	PMC	3-(phosphonomethyl)pyridine-2-carboxylic acid
+c1ccc2c(c1)C=Cc3ccccc3N2Cc4cnc5c(n4)c(nc(n5)N)N	PMD	[n-(2,4-diaminopteridin-6-yl)-methyl]-dibenz[b,f]azepine
+COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N	PME	n-l-alpha-aspartyl l-phenylalanine 1-methyl ester
+c1ccc(cc1)CS(=O)(=O)F	PMF	phenylmethylsulfonyl fluoride
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CCC(=O)O)C(=O)O)O	PMG	n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-l-glutamic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O	PMH	(5-hydroxy-4-{[(3-hydroxyisoxazol-4-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+c1ccc2c(c1)CC(C2)(N)P(=O)(O)O	PMI	(2-amino-2,3-dihydro-1h-inden-2-yl)phosphonic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc2ccccc2)\\N	PMJ	n~2~-(benzylsulfonyl)-d-arginyl-n-(4-carbamimidoylbenzyl)glycinamide
+CCCCCCC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(O)O	PMK	(4r,8s,16s,20r)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate
+C(CCC(=O)O)CCC(=O)O	PML	pimelic acid
+c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O	PMM	pterin-6-yl-methyl-monophosphate
+C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C=C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O)O2	PMN	platensimycin
+COc1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	PMO	n1-(5'-phospho-alpha-ribosyl)-5-methoxybenzimidazole
+Cc1c(c(c(cn1)COP(=O)(O)O)CN)O	PMP	4'-deoxy-4'-aminopyridoxal-5'-phosphate
+c1ccc(cc1)CNC(=O)O	PMQ	benzylcarbamic acid
+CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(=C9CCC(=O)O)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C	PMR	protochlorophyllide
+c1ccc(cc1)CS(=O)(=O)O	PMS	phenylmethanesulfonic acid
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O	PMT	phosphoric acid mono-[3-(3-{[5-(4-amino-2-oxo-2h-pyrimidin-1-yl)-3,4- dihydroxy-tetrahydro-furan-2- ylmethoxy]-hydroxy-phosphoryloxy}-3-oxo-propylcarbamoyl)-3-hydroxy-2,2- dimethyl-propyl] ester
+CC(C)c1cc(nc(n1)N)c2cc(ccc2O)N3C[C@@H]([C@H](C3)O)O	PMU	(3s,4s)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol
+C[C@@](CCOP(=O)(O)O)(CC(=O)O)O	PMV	(3r)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid
+CC[C@H]([C@H]1c2nnc(n2-c3c(c(c(s3)C)C)[C@H](N1)c4ccc(cc4)Cl)C)C(=O)OC	PMW	 methyl (r)-2-((s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)butanoate
+COC(=O)/C=C/C(=O)N[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O	PMX	3-chloro-n-[(2e)-4-methoxy-4-oxobut-2-enoyl]-l-tyrosine
+Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5ccccc5)O	PMY	aglycon of peplomycin
+CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C	PMZ	1-[10-(3-dimethylamino-propyl)-10h-phenothiazin-2-yl]-ethanone
+CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)Oc3ccncc3)C(=O)NO)C	PN0	prinomastat
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](c3ccccc3)N)C(=O)O)C	PN1	(2s,6r)-6-{[(2r)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+CC(C)(CO[P@](=O)(O)OCC(=C=O)N)[C@H](C(=O)NCCC(=O)NCCS)O	PN2	4'-(3-aminopropionic) phosphopantetheine
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(C=O)O	PN3	tert-butyl {(2s)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate
+CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O	PN4	(2r)-2,4-dihydroxy-3,3-dimethyl-n-[3-oxo-3-(pentylamino)propyl]butanamide
+CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O	PN5	(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate
+CC(C)(C)c1c(nc[nH]1)/C=C\2/C(=O)N/C(=C\c3ccccc3)/C(=O)N2	PN6	(3z,6z)-3-benzylidene-6-[(5-tert-butyl-1h-imidazol-4-yl)methylidene]piperazine-2,5-dione
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O	PN7	n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-(2-sulfanylethyl)-beta-alaninamide
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CN[N]#N)O	PN8	(1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	PNA	4-nitrophenyl alpha-d-mannopyranoside
+c1cc(ccc1CO[P@](=O)(CCCC(=O)NCC(=O)O)O)[N+](=O)[O-]	PNB	4-nitro-benzylphosphonobutanoyl-glycine
+c1cc(ccc1CNC(=O)CCCC(=O)NCC(=O)O)[N+](=O)[O-]	PNC	para-nitrobenzyl glutaryl glycinic acid
+c1cc(ccc1NN)[N+](=O)[O-]	PND	p-nitrophenylhydrazine
+CC(C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]	PNE	para-nitrophenyl phosphonobutanoyl l-alanine
+c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCCCCCC(=O)O)O	PNF	6-{4-[hydroxy-(4-nitro-phenoxy)-phosphoryl]-butyrylamino}-hexanoic acid
+c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	PNG	4-nitrophenyl alpha-d-glucopyranoside
+CCCC(=O)C	PNH	pentan-2-one
+CN1C=CC(=C2c3ccc4n3[Ni]56n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C=C1	PNI	tetra[n-methyl-pyridyl] porphyrin-nickel
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N	PNJ	4-nitrophenyl 2-amino-2-deoxy-beta-d-glucopyranoside
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C	PNK	(2r,4s)-2-{(r)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CCC=O	PNL	propanal
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)Cc2ccccc2)C(=O)O)C	PNM	open form - penicillin g
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C	PNN	penicillin g
+C[P@](=O)(N)O	PNO	p-methyl aminophosphinic acid
+C[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]	PNP	methyl-phosphonic acid mono-(4-nitro-phenyl) ester
+[Be](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1)[N+](=O)[O-])(F)(F)F	PNQ	p-nitrophenyl aminoethyldiphosphate beryllium trifluoride
+CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]	PNR	4-nitrophenyl hexadecanoate
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O	PNS	4'-phosphopantetheine
+c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N	PNT	1,5-bis(4-amidinophenoxy)pentane
+C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N	PNU	6-chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfanyl)-pyrimidin-4-ylamine
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)O)C	PNV	(2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1- azabicyclo(3.2.0)heptane-2-carboxylic acid
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	PNW	4-nitrophenyl beta-d-glucopyranoside
+CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C	PNX	3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1h-purine-2,6-dione
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O	PNY	(2r)-2,4-dihydroxy-3,3-dimethyl-n-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
+c1cc(ccc1CN)[N+](=O)[O-]	PNZ	p-nitro-benzylamine
+CC[C@H](Cc1ccccc1)N	PO0	1-benzyl-(r)-propylamine
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N)OC	PO1	(9beta,13alpha,14beta,17alpha)-2-methoxyestra-1,3,5(10)-triene-3,17-diyl disulfamate
+[O-]P=O	PO2	hypophosphite
+[O-][P-](=O)[O-]	PO3	phosphite ion
+[O-]P(=O)([O-])[O-]	PO4	phosphate ion
+CN(C)C[C@@H](COc1ccc(cc1)Nc2nccc(n2)c3cnn4c3ccc(n4)N5CCOCC5)O	PO5	(2s)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol
+c1ccc(cc1)OCC(=O)N	PO6	2-phenoxyacetamide
+CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)NC(=Cc3cc(ccc3F)F)C(=O)N2	PO7	(6z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1h-imidazol-5-yl)methylidene]piperazine-2,5-dione
+C([C@H]1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)[NH3+])O	PO8	(1~{r},2~{s},3~{s},4~{s},5~{r},6~{r})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](COP(=O)(O)O)O	PO9	[(2r)-2-hexadecanoyloxy-3-[oxidanyl-[(2s)-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (z)-octadec-9-enoate
+C(C=O)P(=O)(O)O	POA	phosphonoacetaldehyde
+CC[C@H](C(=O)O)O[P@](=O)([C@@H](C)N)OP(=O)(O)O	POB	2-[(1-amino-ethyl)-phosphate-phosphinoyloxy]-butyric acid
+C[N+](C)(C)CCOP(=O)(O)O	POC	phosphocholine
+COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5C2C(=O)OC5)O)OCO4	POD	9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC(=O)N(C2=O)Cc5cccnc5)OS(=O)(=O)N	POF	(4as,4br,10bs,12as)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate
+C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O	POG	(20s)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol
+C[n+]1ccc(cc1)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7cc[n+](cc7)C)/C=C5)/c8cc[n+](cc8)C)/cc4)/c9cc[n+](cc9)C)C=C3	POH	(1z,4z,9z,15z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
+Cc1c(c(c(cn1)COP(=O)(O)O)CNCCC[C@@H](C(=O)O)NC(=O)C)O	POI	n~2~-acetyl-n~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-ornithine
+c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCC[C@H]3CN4CCOCC4	POJ	n-[4-({(2s)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-n'-[4-(trifluoromethyl)phenyl]urea
+[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCC(=O)O	POK	2-[[~{n}-[(4~{s})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid
+CCCO	POL	n-propanol
+C[C@H]1C(=O)C[C@H](N1)C(=O)O	POM	cis-5-methyl-4-oxoproline
+N=[P@@](O)([O-])O[P@](=O)(O)[O-]	PON	imido diphosphate
+C[N@]1CCC[C@H](C1)CN(C)C(=O)Cn2c3cc(ccc3c(c2c4ccccc4)C5CCCCC5)C(=O)O	POO	3-cyclohexyl-1-(2-{methyl[(1-methylpiperidin-3-yl)methyl]amino}-2-oxoethyl)-2-phenyl-1h-indole-6-carboxylic acid
+O[P@@](=O)([O-])O[P@@](=O)(O)[O-]	POP	pyrophosphate 2-
+CCO[P@@](=O)(O)O[C@@H]1[C@H]([C@@H](C(O[C@H]1O)COP(=O)(O)OCC2[C@H]([C@@H]([C@H]([C@@H](O2)O)O[P@@](=O)(O)OCC)O)O)O)O	POQ	bis(((3s,4s,5r,6r)-5-(ethyl(phosphoryloxy))-3,4,6-trihydroxy-tetrahydro-2h-pyran-2-yl)methyl) hydrogen phosphate
+c1cc2n3c1C=C4C=CC5=[N]4[Fe]36[N]7=C(C=CC7=C2)C=C8N6C(=C5)C=C8	POR	porphyrin fe(iii)
+CC(C)C[C@@H](C(=O)NC[C@H](CNS(=O)(=O)c1ccc(cc1)Oc2ccccc2)O)NC(=O)c3ccncc3	POS	1-[[(4-phenoxyphenyl)sulfonyl]amino]-3-[[n/n-(4-pyridinylcarbonyl)-l-leucyl]amino]-2-propanol
+CC[C@@H](COc1ccccc1)O[P@](=O)(C)Cl	POT	(1s)-1-(phenoxymethyl)propyl methylphosphonochloridoate
+CC[C@@H](CO)/C=C(/C)\[C@@H]1C[C@H](C[C@@H](C([C@@]2([C@@H]([C@@H](C[C@@H](O2)C[C@H]([C@@H](C(=O)O1)O)OC)OC)O)O)(C)C)O)OC	POU	peloruside a
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	POV	(2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
+c1ccc(cc1)NC(=O)OC[C@@H](CN2CCCCC2)OC(=O)Nc3ccccc3	POW	diperodon
+COCCO/N=C/c1c(ncnc1Nc2ccc3c(c2)cnn3Cc4cccc(c4)F)N	POX	4-amino-6-{[1-(3-fluorobenzyl)-1h-indazol-5-yl]amino}pyrimidine-5-carbaldehyde o-(2-methoxyethyl)oxime
+CCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C	POY	3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1h-purine-2,6-dione
+CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@@H]5CC[C@@](O5)(Cn6cncn6)c7ccc(cc7F)F	POZ	2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-o-{4-[4-(4-{1-[(1s,2s)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4h-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1h-1,2,4-triazol-1-yl)-d-erythro-hexitol
+CCn1c(c(c(c1C(=O)OCC)C)C(=O)N2CCN(CC2)Cc3ccccc3)C	PP0	ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1h-pyrrole-2-carboxylate
+Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N	PP1	1-ter-butyl-3-p-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
+CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N	PP2	1-tert-butyl-3-(4-chloro-phenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O	PP3	alanyl-pyridoxal-5'-phosphate
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc2ccccc2c1)[P@@](=O)([O-])O[C@@H](Cc3ccccc3)C(=O)OC)NC=O	PP4	methyl (2s)-[1-((n-formyl)-l-valyl)amino-2-(2-naphthyl)ethyl)hydroxyphosphinyloxy]-3-phenyl propanoate
+CC(C)[C@@H](C(=O)NC[P@](=O)([O-])O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)Cc2cccc3c2cccc3	PP5	methyl (2s)-[1-((n-(naphthaleneacetyl))-l-valyl)aminomethyl)hydroxyphosphinyloxy]-3-phenyl propanoate
+CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc3cccc(c3c2)CC(=O)N1)[P@@](=O)([O-])O[C@@H](Cc4ccccc4)C(=O)OC	PP6	methyl[cyclo-7[(2r)-((n-valyl)amino)-2-(hydroxyl-(1s)-1-methyloxycarbonyl-2-phenylethoxy)phosphinyloxy-ethyl]-1-naphthaleneacetamide]
+CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)NCc2cccc(c2)C[C@H](O[P@]1(=O)O)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C	PP7	methyl cyclo[(2s)-2-[[(1r)-1-(n-(l-n-(3-methylbutanoyl)valyl-l-aspartyl)amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-(3-aminomethyl)phenylpropanoate
+CC(C)C[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC	PP8	2-[(1r)-1-(n-(3-methylbutanoyl)-l-valyl-l-asparaginyl)-amino)-3-methylbutyl]hydroxyphosphinyloxy]-3-phenylpropanoic acid methylester
+Cc1c2\cc\3/nc(\cc/4\c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C	PP9	protoporphyrin ix
+B([C@H](Cc1cccc(c1)C#N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)(O)O	PPB	1-{[1-(2-amino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-2-(3-cyano-phenyl)-ethaneboronic acid
+C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O	PPC	1-o-[(r)-hydroxy(phosphonomethyl)phosphoryl]-5-o-phosphono-alpha-d-ribofuranose
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CC(=O)O)C(=O)O)O	PPD	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethylene)-amino]-succinic acid
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O	PPE	4-[(1,3-dicarboxy-propylamino)-methyl]-3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridinium
+C(=O)(O)P(=O)(O)O	PPF	phosphonoformic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\OCCN)/C(=O)O)O	PPG	(2e,3e)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid
+c1ccc(cc1)C[C@H](N)P(=O)(O)O	PPH	[(1r)-1-amino-2-phenylethyl]phosphonic acid
+CCC(=O)O	PPI	propanoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](C[C@H](C)O)C(=O)O)O	PPJ	n-(hydroxy{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)norvaline
+N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O	PPK	(diphosphono)aminophosphonic acid
+CC(C)(C)NC(=O)[C@@H]1CCCCN1	PPL	piperidine-2-carboxylic acid tert-butylamide
+CP(=O)(O)O	PPM	phosphonomethyl group
+c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-]	PPN	para-nitrophenylalanine
+c1nc2c(c(n1)O)N=NC2	PPO	3h-pyrazolo[4,3-d]pyrimidin-7-ol
+c1ccc(cc1)C[C@@H](CO)O	PPP	3-phenyl-1,2-propandiol
+C[P@](=O)(CC[C@@H](C(=O)O)N)O	PPQ	phosphinothricin
+C(C(=O)C(=O)O)P(=O)(O)O	PPR	phosphonopyruvate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N	PPS	3'-phosphate-adenosine-5'-phosphate sulfate
+Cc1ccc(cc1)CCC(=O)O	PPT	3-(p-tolyl)propionic acid
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O	PPU	puromycin-5'-monophosphate
+OP(=O)(O)OP(=O)(O)O	PPV	pyrophosphate
+c1c2c(n(n1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	PPW	7-deaza-8-aza-2'-deoxyguanosine-5'-monophosphate
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCNc3ccncc3)N	PPX	[phenylalaninyl-prolinyl]-[2-(pyridin-4-ylamino)-ethyl]-amine
+c1ccc(cc1)CC(=O)C(=O)O	PPY	3-phenylpyruvic acid
+c1ccn2c(c1)nc3c2ncnc3NCCO	PPZ	2-(pyrido[1,2-e]purin-4-yl)amino-ethanol
+c1c(c2c([nH]1)N=C(NC2=O)N)C#N	PQ0	2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN	PQ1	phosphoric acid mono-[5-(2-amino-5-aminomethyl-4-oxo-3,5-dihydro-4h-pyrido[2,3-d]pyrimidin-8-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester
+CC\1(C(/C/2=C/C3=N/C(=C\c4c(c(c([nH]4)Cc5c(c(c([nH]5)/C=C1\N2)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)/C(C3(C)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O	PQ2	3,3',3'',3'''-[(7s,8s,12s,13s)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid
+C[N]1=CC(=Cc2c1cccc2)NC(=O)c3ccc4ccc5ccc(nc5c4n3)C(=O)NC6=Cc7ccccc7[N](=C6)C	PQ3	n2,n9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide
+c1cc(ccc1/C=C(/C(=O)O)\N)O	PQ4	(2z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid
+c1cc(c2cc1-c3cnn4c3nc(cc4)NCCOCCO2)C(=O)O	PQ5	7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N5CCCC5	PQ7	4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium
+CC(C)(C)OC(=O)N(CCOCCO)c1ccn2c(n1)c(cn2)c3ccc(c(c3)O)C(=O)O	PQ8	4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid
+CC1=C(C(=O)C(=CC1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C	PQ9	5-[(2e,6e,10e,14e,18e,22e)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-2,3-dimethylbenzo-1,4-quinone
+c1cc(cc(c1)OC2CCNCC2)C(=O)c3cnn(c3N)c4ccc(cc4)F	PQA	[5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone
+c1cc(cc(c1)OC[C@H](CO)O)C(=O)c2cnn(c2N)c3ccc(cc3)F	PQB	[5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl](3-{[(2r)-2,3-dihydroxypropyl]oxy}phenyl)methanone
+c1ccc(cc1)c2cc3c(s2)ccc4c3nc(nc4)Nc5cccc(c5)S(=O)(=O)N	PQC	3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide
+c1cc(cc(c1)N)Cn2ccc3c2ccc4c3c(nc(n4)N)N	PQD	7-[(3-aminophenyl)methyl]-7h-pyrrolo[3,2-f]quinazoline-1,3-diamine
+CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO	PQE	3,6,12,15,18,21,24-heptaoxahexatriacontan-1-ol
+c1ccc(cc1)C2CCC(CC2)(C(=O)O)N	PQG	cis-1-amino-4-phenylcyclohexane-1-carboxylic acid
+Cc1c(cc([nH]1)C(F)(F)F)C(=O)O	PQH	2-methyl-5-(trifluoromethyl)-1~{h}-pyrrole-3-carboxylic acid
+CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C	PQJ	fos-choline-14
+Cc1cc(c(n1C2CC2)C)C(=O)O	PQK	1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid
+c1cc(cnc1)c2ccc(cc2)C(=O)O	PQM	4-(pyridin-3-yl)benzoic acid
+CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C	PQN	phylloquinone
+c1cc(ccc1C(=O)O)n2ccnc2	PQP	4-(1h-imidazol-1-yl)benzoic acid
+c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O	PQQ	pyrroloquinoline quinone
+CN(c1ccc(c(c1)O)O)N=O	PQR	4-[methyl(nitroso)amino]benzene-1,2-diol
+c1ccnc(c1)c2ccc(cc2)C(=O)O	PQS	4-(pyridin-2-yl)benzoic acid
+c1ccc(c(c1)N2CC[C@H](C2)C(=O)O)Cl	PQT	(3~{r})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
+C1CCCN(CC1)CCNC(=O)/C=N/O	PQV	(2e)-n-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide
+[H]/N=C(/c1cccs1)\Nc2cccc(c2)O[C@@H]3C[C@H](NC3)COc4ccc(cc4)N=C(c5cccs5)N	PQW	n'-[4-[[(2s,4r)-4-[3-[(c-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide
+C1CN(CCN(C1)CCNC(=O)/C=N/O)CCNC(=O)/C=N/O	PQY	(2e,2'e)-n,n'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide]
+Cc1cc(c(n1CC2CC2)C)C(=O)O	PQZ	1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
+[Pr+3]	PR	praseodymium ion
+C[C@H]([C@H](Cc1ccccc1)N)O	PR0	3(s)-amino-4-phenyl-butan-2(r)-ol
+c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4cc(ccc4O)C(=N)N)nc1	PR1	4-hydroxy-3-[2-oxo-3-(thieno[3,2-b]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine
+c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4cc5ccncc5[nH]4)nc1	PR2	thieno[3,2-b]pyridine-2-sulfonic acid [2-oxo-1-(1h-pyrrolo[2,3-c]pyridin-2-ylmethyl)-pyrrolidin-3-yl]-amide
+CCCSSC[C@@H](C=O)N	PR3	s,s-propylthiocysteine
+C1C[C@H]([N@@](C1)C[C@H](C(=O)O)O)C(=O)O	PR4	1-[(2r)-2-carboxy-2-hydroxyethyl]-l-proline
+c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	PR5	purine riboside-5'-monophosphate
+C(C(=O)O)C(=O)Cl	PR6	3-chloro-3-oxopropanoic acid
+C1C[C@H]([N@@](C1)C[C@@H](C(=O)O)O)C(=O)O	PR7	1-[(2s)-2-carboxy-2-hydroxyethyl]-l-proline
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@@H]4CCCN4)O)O)N	PR8	5'-o-[(r)-hydroxy{[(2s)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine
+C1C[C@@H](NC1)C(=O)N	PR9	d-prolinamide
+c1ccc(cc1)CCCN	PRA	3-phenylpropylamine
+C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)O	PRB	13-acetylphorbol
+Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccnc4	PRC	n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide
+C[N@](Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3nc2)N)N	PRD	n6-(2,5-dimethoxy-benzyl)-n6-methyl-pyrido[2,3-d]pyrimidine-2,4,6-triamine
+C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O	PRE	prephenic acid
+c1c(c2c([nH]1)N=C(NC2=O)N)CN	PRF	7-deaza-7-aminomethyl-guanine
+c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O	PRH	6-hydroxy-1,6-dihydro purine nucleoside
+C1C[C@H](NC1)C=O	PRI	pyrrolidine-2-carbaldehyde
+C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)O	PRJ	(2s,3as,6r,7as)-6-hydroxyoctahydro-1h-indole-2-carboxylic acid
+CCC(=O)NCCCC[C@@H](C(=O)O)N	PRK	n~6~-propanoyl-l-lysine
+c1cc(cc2c1cc3ccc(cc3n2)N)N	PRL	proflavin
+CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N	PRM	3,8-diamino-5[3-(diethylmethylammonio)propyl]-6-phenylphenanthridinium
+c1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	PRN	purine 2'-deoxyribo-5'-monophosphate
+C1C[C@H](NC1)C(=O)O	PRO	proline
+C1C[C@H]([N-]C1)C(=O)[O-]	PRO_LEO2	l-proline c-terminal deprotonated fragment
+C1C[C@H]([N-]C1)C(=O)O	PRO_LEO2H	l-proline c-terminal protonated fragment
+C1C[C@H](NC1)C(=O)O	PRO_LFOH	l-proline free neutral
+C1C[C@H]([NH2+]C1)C(=O)[O-]	PRO_LFZW	l-proline free zwitterion
+C1C[C@H]([N-]C1)[C-]=O	PRO_LL	l-proline - linking embedded
+C1C[C@H]([NH2+]C1)[C-]=O	PRO_LSN3	l-proline n-terminal protonated fragment
+C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O	PRP	1-o-pyrophosphono-5-o-phosphono-alpha-d-ribofuranose
+c1ccc(c(c1)[C@H](CC(=O)O)N)[N+](=O)[O-]	PRQ	(3s)-3-amino-3-(2-nitrophenyl)propanoic acid
+C[n+]1cccc(c1)C[C@@H](C(=O)O)N	PRR	3-(methyl-pyridinium)alanine
+C1[C@H](NCS1)C(=O)O	PRS	thioproline
+[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	PRT	 phosphoribosyl atp 
+C[C@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	PRU	(3r,5r,7r)-octane-1,3,5,7-tetracarboxylic acid
+c1ccc(c(c1)[C@H](C(=O)O)N)[N+](=O)[O-]	PRV	(2r)-amino(2-nitrophenyl)ethanoic acid
+C([C@H]([C@H](C(=O)O)O)O)N	PRW	(2r,3r)-4-amino-2,3-dihydroxybutanoic acid
+CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	PRX	adenosine-5'-monophosphate-propyl ester
+CCCc1ccccc1N	PRY	2-propyl-aniline
+CC(C)Cc1c(nccn1)OC	PRZ	2-isobutyl-3-methoxypyrazine
+C[C@@H]([C@H](Cc1ccccc1)N)O	PS0	3(s)-amino-4-phenyl-butan-2(s)-ol
+CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCC	PS1	1,2-didecanoyl-sn-glycero-3-[phospho-l-serine]
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br	PS2	o-[{[(2r)-2-{[(9s,10s)-9,10-dibromooctadecanoyl]oxy}-3-(palmitoyloxy)propyl]oxy}(hydroxy)phosphoryl]-l-serine
+CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H](Cc3cccc(c3)Cl)N	PS4	n-({(2s)-1-[(3r)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
+[S-]SSS[S-]	PS5	pentasulfide-sulfur
+CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCC	PS6	o-[(s)-{[(2s)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-d-serine
+CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(\C)/CCC=C(C)C)CO[P@](=O)(O)OP(=O)(O)O)/C)/C)C	PS7	{(1r,2r,3r)-2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1e,5e)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccc(nc3)N4CCNCC4)Cl	PS8	2,6-dichloro-4-(6-piperazin-1-ylpyridin-3-yl)-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+S1SSSSSSS1	PS9	octathiocane
+c1ccc(cc1)C[C@@H]([C@H](CC(=O)O)O)N	PSA	3-hydroxy-4-amino-5-phenylpentanoic acid
+c1ccc(c(c1)CNC(=O)c2cccc(c2)n3nc4c(n3)nc(nc4O)N)Sc5ccccc5CO	PSB	3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-n-[2-(2-(hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CC=CCCCCC	PSC	(7r,17e,20e)-4-hydroxy-n,n,n-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosa-17,20-dien-1-aminium 4-oxide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(NC(=O)[C@@H]4CCCN4)O)O)O)N	PSD	5'-o-[n-(prolyl)-sulfamoyl]adenosine
+C([C@H](COP(=O)(O)O)N)O	PSE	o-phosphoethanolamine
+CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC	PSF	1,2-dicaproyl-sn-phosphatidyl-l-serine
+c1cc(ccc1[N+](=O)[O-])SC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	PSG	4-nitrophenyl 1-thio-beta-d-glucopyranoside
+c1c(ncn1[P@@](=O)(O)S)C[C@@H](C(=O)O)N	PSH	1-thiophosphono-l-histidine
+C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N	PSI	methyl n-{(4s,5s)-5-[(l-alanyl-l-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-l-valyl-l-valinate
+C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O	PSJ	d-psicose
+CC[C@@H]([C@@H](C)C(=O)C[P@@H](=O)O)O	PSK	[(3r,4s)-4-hydroxy-3-methyl-2-oxohexyl]phosphonic acid
+[O-]S(=O)(=O)OS(=O)(=O)[O-]	PSL	pyrosulfate
+CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(=N)N	PSM	n-[dihydroxy(propyl)-lambda~4~-sulfanyl]threonyl-n~1~-{4-[amino(imino)methyl]benzyl}methioninamide
+c1ccc(cc1)CO[P@@](=O)(O)Oc2ccccc2C=O	PSN	benzyl 2-formylphenyl hydrogen phosphate
+Cc1c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CO	PSO	4'-hydroxymethyl-4,5',8-trimethylpsoralen
+c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C=NO	PSP	1,3-propylene-bis-n,n'-syn-4-pyridiniumaldoxime
+C(C[C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O	PSQ	ndelta-(n'-sulphodiaminophosphinyl)-l-ornithine
+CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	PSR	thiobutyric acid s-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester
+CCCC[C@@H](C(=O)O)N1CCN[C@@H](C1=O)Cc2ccccc2	PSS	(2s)-2-[(3r)-3-benzyl-2-oxopiperazin-1-yl]hexanoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O)O	PST	thymidine-5'-thiophosphate
+C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	PSU	pseudouridine-5'-monophosphate
+C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)O	PSV	alpha-d-psicofuranose
+C([C@@H](C(=O)O)N)[Se]S	PSW	3-(sulfanylselanyl)-l-alanine
+CC[C@@H]([C@@H](C)[C@@H](CP(=O)(O)O)O)O	PSX	[(2s,3r,4s)-2,4-dihydroxy-3-methylhexyl]phosphonic acid
+C=CS(=O)(=O)Oc1ccccc1	PSY	phenyl ethenesulfonate
+Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O)O)O	PSZ	4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]thiophene-2-carboxylic acid
+[Pt+2]	PT	platinum (ii) ion
+CCOC(=O)C[P@](=O)([C@H](CC(C)C)N)O	PT0	(r)-[(1r)-1-amino-3-methylbutyl](2-ethoxy-2-oxoethyl)phosphinic acid
+c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O	PT1	pteroic acid
+c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Pt]45NCCN5	PT2	[ethane-1,2-diaminato(2-)-kappa~2~n,n'](1,10-phenanthroline-kappa~2~n~1~,n~10~)platinum(2+)
+CCCNC(=O)[C@@H]([C@H](C(=O)O)O)O	PT3	n-propyl-tartramic acid
+[Pt+4]	PT4	platinum (iv) ion
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CC/C=C\CC=CCC=CCCCCC	PT5	[(2r)-1-octadecanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8z)-icosa-5,8,11,14-tetraenoate
+Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3	PT6	1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1h)-one
+c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl	PT7	chloro[2-(pyridin-2-yl-kappan)phenyl-kappac~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+)
+C1=CC2=[N](C=C1)[Pt]34[N]5=C(C=CC=C5)NC6=CC=CC(=[N]63)C7=[N]4C(=CC=C7)N2	PT9	[pt(h2bapbpy)] platinum
+CC(C)C[C@H](N)[P@@](=O)(CC(=O)O)O	PTA	[(1-amino-3-methyl-butyl)-hydroxy-phosphinoyl]-acetic acid
+CC(C)(C)c1nnc(o1)C(=O)[C@@H]2CCCN2	PTB	(5-tert-butyl-1,3,4-oxadiazol-2-yl)[(2r)-pyrrolidin-2-yl]methanone
+CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2ccc(cc2)OP(=O)(O)O	PTC	2-methylcarbamoyl-3-(4-phosphonooxy-phenyl)-cyclopropanecarboxylic acid
+C(CC=O)CC=O	PTD	pentanedial
+C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)O[P@](=O)(O)O[Mg]([OH2])([OH2])O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S[W])S	PTE	tungstopterin cofactor
+CSCc1ccccc1	PTF	[(methylsulfanyl)methyl]benzene
+CCCCC\C=C\C=C1[C@H](C=CC1=O)C\C=C\CCCC(=O)O	PTG	(5e,14e)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid
+c1cc(c(cc1C[C@@H](C(=O)O)N)CO)OP(=O)(O)O	PTH	ce1-methylene-hydroxy-phosphotyrosine
+c1ccc(cc1)N2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCCC5)O	PTI	2-phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-1,2,3,4-tetrahydro-isoquinolin-6-ol
+CC(C)(COP(=O)(O)O)[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	PTJ	5'-o-[(s)-hydroxy{[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosine
+c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	PTK	pyrene-1,3,6,8-tetrasulfonic acid
+CCCCC=O	PTL	pentanal
+C[C@](Cc1ccc(cc1)OP(=O)(O)O)(C(=O)O)N	PTM	alpha-methyl-o-phosphotyrosine
+[NH3][Pt+2]([NH3])[NH3]	PTN	platinum triamine ion
+CN1[C@H]2CC[C@@H]1CC(C2)O	PTO	pseudotropine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O	PTP	thymidine-3',5'-diphosphate
+c1ccc(cc1)CCS[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	PTQ	2-phenylethyl 1-thio-beta-d-galactopyranoside
+c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O	PTR	o-phosphotyrosine
+C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)N	PTS	(4s-trans)-4-(amino)-5,6-dihydro-6-methyl-4h-thieno (2,3-b)thiopyran-2-sulfonamide-7,7-dioxide
+COc1c2c(nc(n1)N)N[C@H]3[C@@H](N2)C4=C5[C@H](O3)COP(=O)(O[Mg]OP(=O)(OC[C@@H]6C7=C([C@H]8[C@@H](O6)NC9=C(N8)C(=O)NC(=N9)N)S[W](S5)(S7)(S4)O)O)O	PTT	tungstopterin
+CCSC(=Nc1ccccc1)N	PTU	2-ethyl-1-phenyl-isothiourea
+c1cc(sc1)C(=O)CSc2nc([nH]n2)c3ccncc3	PTV	2-[[5-(4-pyridyl)-1h-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone
+C1N2CN3CN1CP(C2)C3	PTW	1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane
+CO/N=C(/c1csc(n1)N)\C(=O)NCP(=O)(O)O	PTX	{[(2e)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanoyl]amino}methylphosphonic acid
+CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN	PTY	phosphatidylethanolamine
+Cc1c(nc(s1)N)c2ccccc2	PTZ	5-methyl-4-phenyl-1,3-thiazol-2-amine
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)NP(=O)(O)O)O	PU	puromycin-n-aminophosphonic acid
+CCCCn1c(nc2c1nc(nc2N)F)Cc3cc(ccc3OC)OC	PU0	9-butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine
+COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(nc(nc3n2CCCC#C)F)N	PU1	8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9h-purin-6-ylamine
+COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC	PU2	8-(2,5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine
+CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC	PU3	9-butyl-8-(3,4,5-trimethoxybenzyl)-9h-purin-6-amine
+CCCCn1c(nc2c1ncnc2N)Cc3ccc(cc3)OC	PU4	9-butyl-8-(4-methoxybenzyl)-9h-purin-6-amine
+CCCCn1c(nc2c1ncnc2N)Cc3cccc(c3)OC	PU5	9-butyl-8-(3-methoxybenzyl)-9h-purin-6-amine
+CCCCn1c(nc2c1ncnc2N)Cc3ccc4c(c3)OCO4	PU6	8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9h-
+CCCCn1c(nc2c1ncnc2N)Cc3cc(ccc3OC)OC	PU7	9-butyl-8-(2,5-dimethoxy-benzyl)-9h-purin-6-ylamine
+CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3Cl)OC)OC)OC	PU8	9-butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)-9h-purin-6-ylamine
+COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(ncnc3n2CCCC#C)N	PU9	8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ylnyl-9h-purin-6-ylamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=CC(=O)NC5=O)OP(=O)(O)O)O)N	PUA	adenylate-3'-phosphate-[[2'-deoxy-uridine-5'-phosphate]-3'-phosphate]
+CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	PUB	phycourobilin
+CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)CO2)O	PUC	(5z)-7-{(1r,4s,5s,6r)-6-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid
+C[C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O	PUD	6-deoxy-l-psicose
+c1ccc(cc1)N2CC[C@H](C2)C(=O)O	PUE	(3~{r})-1-phenylpyrrolidine-3-carboxylic acid
+C[C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O	PUF	6-deoxy-alpha-l-psicofuranose
+C([C@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC1=O	PUG	3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl)
+CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+]4CC(C4)F)C=C3[Si](c5c2ccc(c5)N6CC(C6)F)(C)C)C(=O)O	PUJ	(1e,3s)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5h)-ylidene}-3-fluoroazetidin-1-ium
+c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)N	PUK	n-[(2s)-2-amino-3-phenylpropyl]-l-phenylalanine
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](C)[C@H](\C=C\C=C\C=C\C(=O)[C@@H](C)[C@H]([C@H](C)[C@@H]2C\C=C\C=C\C=C\[C@@H](C(=O)C(=C\C=C\C(=C\[C@H](/C(=C/CC(=O)O2)/C)O)\C)C)O)O)O)OC)O)OC	PUL	(1s,2s,3e,5e,7e,10s,11s,12s)-12-[(2r,4e,6e,8z,10r,12e,14e,16z,18s,19z)-10,18-dihydroxy-12,16,19-trimethyl-11,22-dioxoox acyclodocosa-4,6,8,12,14,16,19-heptaen-2-yl]-2,11-dihydroxy-1,10-dimethyl-9-oxotrideca-3,5,7-trien-1-yl 6-deoxy-2,4-di-o-methyl-beta-l-galactopyranoside
+[H]/N=C(/N)\NCC(=O)N([C@@H](CCC(=O)N)C(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)C2=CNC(=O)NC2=O)O)O)O	PUM	(1s)-1,4-anhydro-5-[(n-carbamimidoylglycyl-n~2~-hydroxy-l-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-d-ribitol
+CC(C)CC(C)(C)CC(C)(C)CC(C)(C)C	PUN	2,2,4,4,6,6,8-heptamethylnonane
+C1[C@@H]([C@@H]([C@H](O1)CO)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O)O)O	PUP	(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-({[(s)-hydroxy{[(2r,3s,4s)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}phosphoryl]oxy}methyl)tetrahydrofuran-3-yl dihydrogen phosphate
+c1cc(ccc1C2C(=Cc3c(cc(cc3O2)O)O)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O	PUQ	pelargonidin 3-o-beta-d-glucoside
+c1c2c(ncn1)n(c[nH+]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	PUR	purine riboside
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CONC(=O)N)C(=O)O)O	PUS	(e)-o-(carbamoylamino)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-serine
+C(CCN)CN	PUT	1,4-diaminobutane
+C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(c(c3)F)C(=O)O)CC(=O)Nc4nccs4	PUV	2-fluoro-4-{[(1r)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
+C(CCNC(=O)CP(=O)(O)O)CN	PUW	n-(phosphonoacetyl)-putrescine
+CCCCn1c(nc2c1nc(nc2N)F)Cc3ccc4c(c3)OCO4	PUX	8-benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9h-purin-6-ylamine
+CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O	PUY	puromycin
+COc1ccc(c(c1)Cc2nc3c(nc(nc3n2CCCC#C)F)N)OC	PUZ	8-(2,5-dimethoxy-benzyl)-2-fluoro-9-pent-9h-purin-6-ylamine
+c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O)O	PV0	2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1h-isoindole-4,6-diol
+c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br	PV1	(5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2h-isoindol-2-yl)methanone
+c1ccc2c(c1)CN(C2)S(=O)(=O)c3ccc(cc3O)O	PV2	4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol
+CCCc1ccc(c(c1)O)Oc2ccccc2	PV4	2-phenoxy-5-propyl-phenol
+Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c(cc(c5c4CCO5)C#N)F	PV5	5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
+C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(cc3)C(=O)O)CC(=O)Nc4nccs4	PV7	4-{[(1r)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
+c1cc2c(cc1O)CN(C2)S(=O)(=O)c3ccc(cc3O)O	PV8	4-[(5-hydroxy-1,3-dihydro-2h-isoindol-2-yl)sulfonyl]benzene-1,3-diol
+CC(C)[C@H](N)P(=O)(O)O	PVA	1-amino-2-methyl-propylphosphonic acid
+CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O	PVB	purvalanol b
+CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@H](/C(=C(\C(=O)O)/O)/O)O)O	PVC	(2e,4r,5s)-2,3,4,5-tetrahydroxy-6-(palmitoyloxy)hex-2-enoic acid
+c1c2cc(c(cc2[n+]3c(c1NC(=O)CCC(=O)O)NCC[C@H]3C(=O)O)O)O	PVE	(1s)-1-carboxy-5-[(3-carboxypropanoyl)amino]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium
+CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	PVG	phycoviolobilin, green light-absorbing form
+COC(=O)[C@H](Cc1c[nH]c[nH+]1)N	PVH	histidine-methyl-ester
+C[C@]1(c2cc(c(cc2CCN1)OC[C@@H]3CCCCO3)Oc4ccc(c(c4)F)C(=O)O)CC(=O)Nc5nccs5	PVJ	2-fluoro-4-{[(1r)-1-methyl-6-{[(2s)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
+C1C2=C(CO1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	PVK	(s)-1-(2'-amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1h,3h)-dione
+CC(=O)C=O	PVL	pyruvoyl group
+CC1=CC(=NN(C1=O)c2ccc(cc2)OC)c3cn(nn3)CCOc4cc5c(cc4Oc6ccc(c(c6)F)C(=O)O)[C@@](NCC5)(C)CC(=O)Nc7nccs7	PVM	2-fluoro-4-{[(1r)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1h-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
+CCC1=C(C(=O)N[C@@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	PVN	phycoviolobilin
+CC(C(=O)O)(O)O	PVO	2,2-bis(oxidanyl)propanoic acid
+Cc1c(c(nc(n1)c2ccccn2)N3CCN(CC3)CCO)Cl	PVP	2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol
+C1C2=C(CN1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N	PVQ	(s)-1-[2'-amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1h,3h)-dione
+C=CS(=O)(=O)c1ccccc1	PVS	(ethenylsulfonyl)benzene
+c1cc(cnc1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F	PVT	5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
+C[C@]1(c2cc(c(cc2CCN1)OC)OC)CC(=O)Nc3nccs3	PVV	2-[(1r)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-n-(1,3-thiazol-2-yl)acetamide
+COCCN1c2c([nH]cn2)C(=O)NC1=S	PVW	3-(2-methoxyethyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one
+COc1cc2c(c3c1C4=C(C(=O)C=C4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O	PVX	n-(2-amino-5-{formyl[(6as,8r,9r,9ar)-9-hydroxy-4-methoxy-1,11-dioxo-1,6a,8,9,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosylamine
+CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=[N+](C)C)C=C3Oc4c2ccc(c4)N(C)C)C(=O)O	PVY	9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-n,n-dimethyl-3h-xanthen-3-iminium
+CCCCCCCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O	PVZ	[1-hydroxy-2-(1-nonyl-1h-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
+c1ccc(cc1)Oc2c(ccc(c2F)C[NH3+])F	PW1	[2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium
+COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)NCC(=O)O)O	PW2	2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
+CC(=O)N1CCNC(=O)C1	PW3	4-acetyl-piperazin-2-one
+Cc1cc(nc(c1Br)C)NC(=O)CCC(=O)O	PW5	4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid
+c1cnc(nc1C(F)(F)F)N	PW7	4-(trifluoromethyl)pyrimidin-2-amine
+c1cc2cnc(cc2c(c1)Br)NC(=O)CCC(=O)O	PW8	4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid
+c1cc2c(cc1F)N=CNC2=O	PWA	7-fluoroquinazolin-4(3h)-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)S)O[C@H]([C@@H]5F)n6cnc7c6ncnc7[NH3+])O)F)[NH3+]	PWB	3',3'-c-[2'fdamp-2'fdam(ps)]
+c1c[nH]c2c1cc(cn2)F	PWD	5-fluoro-1h-pyrrolo[2,3-b]pyridine
+CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O	PWE	(2r)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1s,2s,3s,4s,5s,6r)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate
+COc1cc(ccc1O)/C=C/C(=O)OCCc2ccccc2	PWF	2-phenylethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
+c1cc(c2nnc(n2c1)C(F)F)C(F)(F)F	PWG	3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine
+CC(=CCOC(=O)/C=C/c1ccc(c(c1)O)O)C	PWH	3-methylbut-2-en-1-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
+c1cn2cc(c(c(c2n1)Cl)C#N)C(F)(F)F	PWJ	8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile
+C[C@H](Cc1ccc(c(c1)OC)O)[C@H](C)Cc2ccc(c(c2)OC)O	PWK	4,4'-[(2r,3r)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol)
+c1cc2c(c(c1)F)C(=O)NC=N2	PWM	5-fluoroquinazolin-4(3h)-one
+c1ccc(c(c1)/C=N/NC(=O)CCC=O)C(=O)O	PWN	2-[(~{e})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid
+c1cc2c(cc1F)C(=O)NC=N2	PWP	6-fluoroquinazolin-4(3h)-one
+c1cc(ccc1/C=N/NC(=O)CCC=O)C(=O)O	PWQ	4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid
+CN1C(=O)C=C(N=C1SC)C(F)(F)F	PWS	3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3h)-one
+c1ccc(c(c1)CNNC(=O)CCCC=O)C(=O)O	PWT	2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid
+Cc1ncc(n1C)c2ccc(cc2)Nc3cc4c(cc(n4C(=O)OC(C)C)c5cnn(c5)C)cn3	PWU	isopropyl 6-((4-(1,2-dimethyl-1h-imidazol-5-yl)phenyl)amino)-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate
+C[C@@H](C1=Cc2cc(ccc2NC1=O)Cl)NC3=CC=C(N(C3=O)C)C#N	PWV	5-{[(1s)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
+c1cc(ccc1/C=N/NC(=O)CCCC=O)C(=O)O	PWW	4-[[(~{e})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid
+COc1ccc2cc(ccc2c1)CC(=O)O	PWY	(6-methoxynaphthalen-2-yl)acetic acid
+CCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@H]([C@@H]1C/C=C/CCCC(=O)O)OC2)O	PWZ	(5e)-7-{(1r,4s,5s,6r)-5-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid
+[H]/N=C/1\C(=CO)C2=Nc3c(cc(c(c3OC2=C(C1=O)C)C)N)C=O	PX1	(1z)-7-amino-1-(hydroxymethylene)-2-imino-4,6-dimethyl-3-oxo-2,3-dihydro-1h-phenoxazine-9-carbaldehyde
+CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCC	PX2	1,2-dilauroyl-sn-glycero-3-phosphate
+COc1ccc(cc1)CNC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4	PX3	5-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC	PX4	1,2-dimyristoyl-sn-glycero-3-phosphocholine
+c1ccc2c(c1)nc(s2)C3(C=CC(=O)C=C3)O	PX5	4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCC	PX6	1,2-dipalmitoyl-sn-glycero-3-phosphate
+CN1c2ccccc2S(=O)(=O)NC1=O	PX7	4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC	PX8	1,2-distearoyl-sn-glycero-3-phosphate
+CCCCOc1ccc(cc1)OCCCN2CCOCC2	PX9	pramocaine
+Cc1cnc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O	PXA	2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-3-oxo(8-aza)phenoxazine
+CCC(=O)NS(=O)(=O)c1ccc(cc1)c2c(onc2c3ccccc3)C	PXB	parecoxib
+c1cc(c2c(c1)nc3c(cccc3n2)C(=O)O)C(=O)O	PXC	phenazine-1,6-dicarboxylic acid
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c3c(cccc3OCC(F)F)C(F)(F)F)OC	PXD	2-(2,2-difluoroethoxy)-n-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
+CC1=CC(=O)C(=CC1=NO)C(C)C	PXE	2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime
+Cc1cc(c(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O)F	PXF	2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-8-fluoro-3-oxophenoxazine
+Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O	PXG	3-[o-phosphonopyridoxyl]--amino-benzoic acid
+CC1([C@@H](N[C@H](S1)[C@H](C=O)[C@@H](CCc2cccs2)O)C(=O)O)C	PXH	(2~{r},4~{s})-5,5-dimethyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid
+CC[C@@H]1[C@@H](\C=C\C(=O)[C@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]2[C@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C	PXI	4-{[4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-12-ethyl-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione
+c1cc(c(c(c1)O)O)C(=O)NCCCCCCNC(=O)c2cccc(c2O)O	PXJ	n,n'-hexane-1,4-diylbis(2,3-dihydroxybenzamide)
+CC(C)(C)C#CCc1c[nH]c2c1scn2	PXK	6-(4,4-dimethylpent-2-ynyl)-4~{h}-pyrrolo[2,3-d][1,3]thiazole
+Cc1c(c(c(cn1)CO)C=O)O	PXL	3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde
+Cc1c(c(c(cn1)CO)CN)O	PXM	4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
+C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O	PXN	(2s)-1-[3-{[(2r)-2-hydroxypropyl]oxy}-2,2-bis({[(2r)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol
+CC\C=N/O	PXO	(1z)-propanal oxime
+Cc1c(c(c(cn1)COP(=O)(O)O)CO)O	PXP	pyridoxine-5'-phosphate
+CC[C@@H]1[C@H](C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	PXQ	3-[5-[[(3~{r},4~{r})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCC	PXS	(2s)-propane-1,2-diyl dihexadecanoate
+C[C@@H]/1C[C@]2(CC[C@@H](O2)[C@]34CC[C@](O3)(CC(O4)[C@@H]5C(=O)C[C@@](O5)([C@H]([C@@H]6CC[C@]7(O6)CCC[C@H](O7)[C@H](C(=O)O[C@@H]8C[C@H](O[C@@H]8\C=C\C(=C1)\C)[C@@]9(C(=C(CCO9)C)O)O)C)O)C)C)C	PXT	pectenotoxin-2
+C1C[C@](NC1)(C(=O)O)O	PXU	2-hydroxy-l-proline
+CC(=O)Nc1cc2cccnc2c3c1cccn3	PXX	n-1,10-phenanthrolin-5-ylacetamide
+Cc1ccc(cc1)C	PXY	para-xylene
+Cc1ccc(c2c1OC3=C(C(=O)C(=C(C3=N2)C=O)N)C)C=O	PXZ	2-amino-1,9-dicarbonyl-4,6-dimethyl-10-dehydro-phenoxazin-3-one
+C[C@@H]([C@@](N)(O)[O-])O	PY0	(1s,2s)-1-amino-1,2-dihydroxypropan-1-olate
+c1ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4	PY1	4-(3-pyridin-2-yl-1h-pyrazol-4-yl)quinoline
+c1cc(cnc1)CS	PY2	3-(mercaptomethylene)pyridine
+CC[C@@H](C)NC(=O)c1cc(cc(c1)N)C2=CN=C(C(=O)N2CC(=O)NCc3ccc(cc3C(=O)Nc4ccncc4)C(=N)N)NC(C)C	PY3	5-[amino(imino)methyl]-2-[({[6-[3-amino-5-({[(1r)-1-methylpropyl]amino}carbonyl)phenyl]-3-(isopropylamino)-2-oxopyrazin-1(2h)-yl]acetyl}amino)methyl]-n-pyridin-4-ylbenzamide
+CC[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	PY4	2-[o-phosphonopyridoxyl]-amino- butyric acid
+CCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	PY5	2-[o-phosphonopyridoxyl]-amino-pentanoic acid
+CCCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O	PY6	2-[o-phosphonopyridoxyl]-amino-hexanoic acid
+c1cnccc1CO	PY7	pyridin-4-ylmethanol
+c1cc2cc(c1)S(=O)(=O)NCCCNc3c(cnc(n3)N2)Br	PY8	6-bromo-13-thia-2,4,8,12,19-pentaazatricyclo[12.3.1.1~3,7~]nonadeca-1(18),3(19),4,6,14,16-hexaene 13,13-dioxide
+Cc1ccccc1[C@H]2CCCN2C(=O)c3ccc(cc3O)O	PY9	4-{[(2r)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
+c1cc2ccc3ccc(nc3c2nc1)C[C@@H](C(=O)O)N	PYA	3-(1,10-phenanthrol-2-yl)-l-alanine
+Cn1cc(cc1C(=O)O)N	PYB	4-amino-(1-methylpyrrole)-2-carboxylic acid
+c1cc([nH]c1)C(=O)[O-]	PYC	pyrrole-2-carboxylate
+Cc1cnc(nc1N)C	PYD	2,5-dimethyl-pyrimidin-4-ylamine
+C1CCOCC1	PYE	tetrahydropyran
+c1cc(cnc1)CO	PYF	3-pyridinylcarbinol
+c1cc(c(c(c1)O)O)O	PYG	benzene-1,2,3-triol
+C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N	PYH	n~6~-{[(2r,3r)-3-methyl-3,4-dihydro-2h-pyrrol-2-yl]carbonyl}-l-lysine
+Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)OP(=O)(O)O	PYI	1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridinium
+CCc1ccccc1	PYJ	phenylethane
+C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N	PYL	pyrrolysine
+CC(=O)C(=O)N	PYM	pyruvamide
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCC4)NC(=O)CCN5CCCC5	PYN	3-pyrrolidin-1-yl-n-[6-(3-pyrrolidin-1-yl-propionylamino)-acridin-3-yl]-propionamide
+C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	PYO	1-(beta-d-ribofuranosyl)-pyrimidin-2-one-5'-phosphate
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O	PYP	2'-deoxyribofuranosylpyrene-5'-monophosphate
+c1cc2c3c(c1)CCN3C(=O)CC2	PYQ	pyroquilon
+CC(=O)C(=O)O	PYR	pyruvic acid
+c1ccnc(c1)S	PYS	2-pyridinethiol
+C=C(C(=O)N)N	PYT	2-aminoprop-2-enamide
+c1ccn(c1)C(=O)c2c(cc(cc2O)O)O	PYU	2-(1h-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol
+c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3	PYV	4-bromo-n-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
+CC/C(=C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C	PYW	pyridomycin
+Cc1c(c(c(cn1)CSSC[C@@H](C(=O)O)N)CN)O	PYX	s-[s-thiopyridoxaminyl]cysteine
+c1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	PYY	d-ribofuranosyl-benzene-5'-monophosphate
+c1c(cn[nH]1)I	PYZ	4-iodopyrazole
+COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COC4=CC5C(=CC=CN5CCCO)C=C4	PZ1	(6r)-6-({[1-(3-hydroxypropyl)-1,7-dihydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one
+Cc1cc(cc(c1)Oc2ccc(cc2Br)Cc3c4ccnnc4[nH]n3)C#N	PZ2	3-[2-bromo-4-(1h-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile
+Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)OC(=O)NCc7ccccc7	PZ3	4-({(3r)-7-(5-formylfuran-2-yl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1h-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate
+CNc1c(cnc(n1)c2c[nH]c3c2cncn3)F	PZ4	5-fluoro-n-methyl-2-(7h-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine
+C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N	PZ5	5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine
+Cc1cc(c(n1c2cccc(c2)Cl)C)C(=O)O	PZ8	1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
+c1cnc(cn1)C(=O)N	PZA	pyrazine-2-carboxamide
+c1ccc(cc1)Oc2c[nH]nc2c3ccc(cc3O)O	PZB	4-(4-phenoxy-1h-pyrazol-3-yl)benzene-1,3-diol
+CC(=O)N[C@@H]1CC=C(O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)NC(=O)[C@H](CCN)O)N)CNCCO	PZC	(2s)-n-[(1r,2s,3s,4r,5s)-4-{[(2s,3r)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2h-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide
+COc1cc2c(cc1OC)NC[C@@H]3CC(=CN3C2=O)c4ccc5ccccc5c4	PZD	(11as)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
+C1CNCCN1	PZE	piperazine
+COc1ccc(cn1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F	PZF	(3r,4s)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
+Cc1c(c[nH]n1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	PZG	[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{h}-pyrazol-4-yl)phosphinic acid
+c1cc(ccc1CN)Br	PZH	1-(4-bromophenyl)methanamine
+C1CC(=O)N(C1)CC(=O)N	PZI	2-(2-oxopyrrolidin-1-yl)acetamide
+c1ccc(c(c1)N2CCN(CC2)[C@H]3CS(=O)(=O)C[C@@H]3O)Cl	PZJ	(3r,4r)-4-[4-(2-chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
+c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)C#N	PZK	4-azanyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
+c1cc(c(c(c1Cc2c3ccnnc3[nH]n2)F)Oc4cc(cc(c4)Cl)C#N)Br	PZL	3-[6-bromo-2-fluoro-3-(1h-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile
+COc1ccc(cc1)CN	PZM	1-(4-methoxyphenyl)methanamine
+CCCCCC[N@](C)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)N1C=C(N=C(C1=O)NCc2c(non2)C)C(C)(C)C	PZN	3-(2-{5-tert-butyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2h-pyrazin-1-yl}-butyrylamino)-5-(hexyl-methyl-amino)-4-oxo-pentanoic acid anion
+c1c[nH]nc1	PZO	pyrazole
+[H]/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	PZP	[5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate
+c1ccc2c(c1)CCN3[C@H]2CN(CC3=O)C(=O)C4CCCCC4	PZQ	praziquantel
+c1cncc2c1[nH]nc2	PZR	1h-pyrazolo[4,3-c]pyridine
+CCCC/C=C/C1=C(C(=O)[C@@]2(O1)[C@H]([C@@](NC2=O)(C(=O)c3ccccc3)OC)O)C	PZS	(5~{s},8~{s},9~{r})-2-[(~{e})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
+C[C@@H]1[C@H](C[C@H]([C@H](O1)O)O)O	PZU	alpha-d-paratopyranose
+CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F	PZV	1-(2-fluorobenzene-1-carbonyl)-n-methyl-2,3-dihydro-1h-indole-5-sulfonamide
+Cc1cc2c(cc1NC3CNC3)N4[C@@H](C(=O)NN=C4CO2)C	PZW	(1r)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1h)-one
+Cc1cc(n[nH]1)C(=O)OCc2cccnc2	PZX	pyridin-3-ylmethyl 5-methyl-1h-pyrazole-3-carboxylate
+CC(C)(C)c1ccc(cc1)CN2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCc4ccccc4	PZY	2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid
+CN(C)Cc1c[nH]c2c1cccc2CCCO	PZZ	3-{3-[(dimethylamino)methyl]-1h-indol-7-yl}propan-1-ol
+c1ccc(cc1)C[C@@H](CCN[C@@H](Cc2ccccc2)C(=O)O)N	Q00	n-[(3s)-3-amino-4-phenylbutyl]-l-phenylalanine
+CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4	Q01	2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid
+c1ccc(cc1)[C@H](N)P(=O)(O)O	Q02	[(r)-amino(phenyl)methyl]phosphonic acid
+C1CCC(CC1)[C@H](N)P(=O)(O)O	Q03	[(r)-amino(cyclohexyl)methyl]phosphonic acid
+C1CCC(CC1)C[C@H](N)P(=O)(O)O	Q04	[(1r)-1-amino-2-cyclohexylethyl]phosphonic acid
+Cc1cc(nc(c1)N)COc2cccc(c2)CNCCc3cccc(c3)F	Q05	6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine
+C1CCC(C1)CC[C@H](N)P(=O)(O)O	Q06	[(1r)-1-amino-3-cyclopentylpropyl]phosphonic acid
+CCC[C@H](C)[C@H](N)P(=O)(O)O	Q07	[(1r,2s)-1-amino-2-methylpentyl]phosphonic acid
+CCCC(CCC)[C@H](N)P(=O)(O)O	Q08	[(1r)-1-amino-2-propylpentyl]phosphonic acid
+c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)Cc4ccc(cc4)F	Q0A	2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid
+CCOCCCNC(=O)c1c2c(nc3ccccc3n2)n(c1N)c4ccccc4Cl	Q0B	2-amino-1-(2-chlorophenyl)-n-(3-ethoxypropyl)-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide
+c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3	Q0D	2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid
+c1cc(cnc1)Cn2cc(cn2)c3c(c(ncn3)N)C#N	Q0E	4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile
+c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)c4ccccc4	Q0G	5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid
+c1cc(c(cc1Cn2cc(cn2)c3c(c(ncn3)N)C#N)F)F	Q0H	4-azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
+Cc1ccc2c(c(nn2c1)c3ccc(cc3)F)c4ccncc4	Q0J	2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
+Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N	Q0K	2-amino-5-(p-tolyl)-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+CNC(=O)c1cc(cc(c1O)NS(=O)(=O)c2cc(cc(c2O)Cl)Br)C3(CCC3)C#N	Q0M	3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-n-methylbenzamide
+c1c(cn(n1)CCN2CCOCC2)c3c(c(ncn3)N)C#N	Q0N	4-azanyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CC(=O)c2ccccc2N)C(=O)O)O	Q0P	(2s)-4-(2-aminophenyl)-2-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid
+C[C@H](c1ccccc1)n2cc(cn2)c3c(c(ncn3)N)C#N	Q0Q	4-azanyl-6-[1-[(1~{r})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
+CS(=O)(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)NS(=O)(=O)c2cc(ccc2O)Br	Q0S	5-bromo-2-hydroxy-n-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide
+CCOC(=O)Cn1cc(cn1)c2c(c(ncn2)N)C#N	Q0T	ethyl 2-[4-(6-azanyl-5-cyano-pyrimidin-4-yl)pyrazol-1-yl]ethanoate
+CCn1cc(cn1)c2c(c(ncn2)N)C#N	Q0W	4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile
+COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)Cl)Br	Q0Y	5-bromo-n-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide
+c1cc(cc(c1)F)Cn2cc(cn2)c3c(c(ncn3)N)Cl	Q0Z	5-chloranyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine
+Cc1cc(nc(c1)N)COc2cccc(c2)OCCCN	Q10	6-{[3-(3-aminopropoxy)phenoxy]methyl}-4-methylpyridin-2-amine
+COc1ccccc1c2ccc3c(c2)nc(nc3N)N	Q11	7-(2-methoxyphenyl)quinazoline-2,4-diamine
+Cc1cc2c(cc1c3ccc(c(c3)OC)OC)nc(nc2N)N	Q12	7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
+Cc1cc(nc(c1)N)COC[C@@H]([C@H](C)OCc2cc(cc(n2)N)C)N	Q13	6,6'-{[(2s,3s)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)COCC[C@@H](CN)OCc2cc(cc(n2)N)C	Q14	6-[({(2s)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3	Q15	4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine
+Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C	Q16	6-((((3s, 5r)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
+c1ccc2c(c1)c(nc(n2)c3ccccc3O)NCCCN	Q17	2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol
+c1ccc2c(c1)c(c[nH]2)/C=C\3/C(=O)c4ccc(c(c4O3)CN5CCCCCC5)O	Q18	(2z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1h-indol-3-ylmethylidene)-1-benzofuran-3(2h)-one
+Cc1cc2c(cc1c3cccc(c3)C(=O)C)nc(nc2N)N	Q19	1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone
+CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cccc4c3ccnc4N	Q1A	1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
+c1cc2c(cc1OC(F)(F)F)CC(=O)N2	Q1B	5-(trifluoromethyloxy)-1,3-dihydroindol-2-one
+B(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3[C@@H]4C[C@@H]5[C@H]3CO[C@@H]5OC4)O)CC(C)C)(O)O	Q1D	{4-[{(2r,3s)-3-[({[(3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid
+CNC(=O)CCS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2	Q1E	~{n}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide
+c1cc(c(cc1C2(CCC2)C#N)NS(=O)(=O)c3cc(ccc3O)Br)O	Q1G	5-bromo-n-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide
+c1cc(oc1)Cn2c3ccc(cc3nc2N)C(F)(F)F	Q1H	1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine
+COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)c3ccccc3)Br	Q1J	5-bromo-n-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide
+CS(=O)(=O)N1CCN(CC1)c2ccc3nncn3n2	Q1K	6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
+COc1ccc(cc1S(=O)(=O)Nc2cc(cc(c2O)C(=O)O)Cl)Br	Q1M	3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid
+[H]/N=C\CNC(=O)[C@H](CS(=O)(=O)N1CCN(CC1)c2ccccn2)NC(=O)Cc3cc(no3)C	Q1N	(2~{r})-~{n}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide
+c1cc(c(cc1Br)S(=O)(=O)Nc2cc(c(c(c2O)C(=O)O)F)C3CC3)O	Q1P	3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid
+c1ccc(cc1)c2ncc3c(n2)CC[C@H](C3)N	Q1Q	(6~{r})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine
+CN1CCN(CC1)c2ccc(cc2Nc3c4ccccc4ccn3)[N+](=O)[O-]	Q1S	n-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N	Q1T	3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile
+c1c[n+](c(n1P(=O)(O)O[C@H]2CO[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)N)P(=O)(O)O[C@H]5CO[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N	Q1V	2-amino-3-[(r)-{[(3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(s)-{[(3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1h-imidazol-3-ium
+CC(C)(CC(=O)C(=O)O)C(=O)O	Q1W	2,2-dimethyl-4-oxidanylidene-pentanedioic acid
+c1ccc2c(c1)c([nH]n2)CNC(=O)c3cc(ccc3F)[C@@H]4CCNC[C@H]4COc5ccc6c(c5)OCO6	Q1Y	5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(2h-indazol-3-yl)methyl]benzamide
+C[C@H](CC(=O)O)C(=O)C(=O)O	Q1Z	(3~{r})-3-methyl-2-oxidanylidene-pentanedioic acid
+CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)C=O	Q20	3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde
+C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Oc4cccc5c4cccc5	Q21	(2s)-2-(naphthalen-1-yloxy)-n-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide
+c1cc2c(cc1O)C=CC3=CCC=C[C@@H]3N2Cc4cnc5c(n4)c(nc(n5)N)N	Q22	(4as)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2h-dibenzo[b,f]azepin-8-ol
+c1ccc(cc1)S(=O)(=O)O[C@H]2CS(=O)(=O)C=C2	Q23	(3r)-1,1-dioxido-2,3-dihydrothiophen-3-yl benzenesulfonate
+c1ccc2c(c1)c(nc(n2)N)N	Q24	quinazoline-2,4-diamine
+CCCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl	Q25	6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
+CCOc1ccc(cc1c2ccc3c(c2)nc(nc3N)N)c4cccc(c4)NS(=O)(=O)C	Q26	n-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide
+CCOc1ccc2ccccc2c1c3cc4c(cc3C)c(nc(n4)N)N	Q27	7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine
+Cc1cccc2c1N=C(NC2=O)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5	Q28	4-[3-(8-methyl-4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-n-(quinolin-8-yl)benzamide
+c1cc(cc(c1)S(=O)(=O)F)CN2CCC[C@@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6	Q2A	3-{[(3s)-3-({6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride
+c1cc(cc(c1)S(=O)(=O)F)CN2CCC[C@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6	Q2D	3-{[(3r)-3-({6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride
+CSc1c(c2ccccc2[nH]1)C[C@@H](C=O)N	Q2E	(2~{s})-2-azanyl-3-(2-methylsulfanyl-1~{h}-indol-3-yl)propanal
+CN(c1c(cccn1)/C=N/c2c(cnc(n2)Nc3ccccc3)C(F)(F)F)S(=O)(=O)C	Q2H	~{n}-methyl-~{n}-[3-[(~{e})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide
+c1cc(cc(c1)S(=O)O)CNCCCn2c3c(c(ncn3)N)nc2Sc4cc5c(cc4I)OCO5	Q2J	3-{[(3-{6-amino-8-[(6-iodo-2h-1,3-benzodioxol-5-yl)sulfanyl]-9h-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid
+c1cc(sc1)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	Q2M	5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine
+c1ccnc(c1)c2csc(n2)NC(=O)Cc3ccc(cc3)F	Q2N	2-(4-fluorophenyl)-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide
+c1cc(cc(c1)Cl)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	Q2P	5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine
+COC(=O)c1ccccc1c2cccc(c2)C(=O)O	Q2R	3-(2-methoxycarbonylphenyl)benzoic acid
+c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cc[nH]3	Q2S	3-(1~{h}-indol-5-yl)benzoic acid
+CCCCOc1cc(cnc1)c2nnc3n2c4cc(ccc4nc3C)CN5CCOCC5	Q2T	1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline
+c1ccc(cc1)C(CCN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)c6ccccc6	Q2V	5'-([(3s)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine
+CC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccc(s1)CNC(=O)c2ccc(cc2)Nc3cnc4ccccc4n3	Q2Y	4-oxo-3-[2-(5-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-thiophen-2-yl)-acetylamino]-pentanoic acid
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCS(=O)(=O)N	Q2Z	carborane ethyl-sulfonamide
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]cn3	Q31	5-[(2s)-2-[[2-(1h-imidazol-4-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid
+c1cc(ccc1CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Cl	Q34	5'-{[(3s)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine
+CC[C@H](c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC	Q35	2-[4-[5-[(1~{r})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid
+B123B45B167B289B31B823B966B744B622[C@]45C321CCCCCS(=O)(=O)N	Q38	carborane nido-pentyl-sulfonamide
+Cc1nc(c(s1)CCC(=O)N2CCC(CC2)C(=O)N)c3cccs3	Q39	1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide
+Cc1ccc(c(n1)C)c2cnc(n3c2c(nc3)S(=O)(=O)C)NCc4c(ccc5c4CCO5)F	Q3A	8-(2,6-dimethylpyridin-3-yl)-n-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine
+COc1ccc(cc1)NC(=O)Nc2cccc(c2)c3c(n(cn3)C[C@@H]4CCCO4)c5nc6c(ncnc6s5)N	Q3B	1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2s)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea
+c1ccc2c(c1)cc(cn2)C(=O)O	Q3C	quinoline-3-carboxylic acid
+CS(=O)(=O)c1c2c(cnc(n2cn1)NCc3c(ccc4c3CCO4)F)c5ccc(nc5)C6CC6	Q3D	8-(6-cyclopropylpyridin-3-yl)-n-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCS(=O)(=O)N	Q3E	carborane propyl-sulfonamide
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC	Q3G	o-[(r)-[(2s)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl]-d-serine
+B123B45B167B289B31B823B966B744B622C45C321CCCCCCS(=O)(=O)N	Q3H	carborane nido-hexyl-sulfonamide
+[B-]1(c2cc(ccc2C=C3[N+]1=C(N(C3=O)C)C)N(CC)CC)(F)F	Q3J	12-(diethylamino)-2,2-bis(fluoranyl)-4,5-dimethyl-5-aza-3-azonia-2-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),3,7,9,11-pentaen-6-one
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCCS(=O)(=O)N	Q3K	carborane closo-hexyl-sulfonamide
+CC(=O)N[C@H]1[C@H](C[C@@H]([C@@H]([C@@H]1O)O)CO)SC	Q3M	methyl 2-(acetylamino)-2-deoxy-1-thio-alpha-d-galactopyranose
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCS(=O)(=O)N	Q3N	carborane closo-pentyl-sulfonamide
+C(CCNC(=O)CN)C[C@@H](C(=O)O)N	Q3P	n~6~-glycyl-l-lysine
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCS(=O)(=O)N	Q3Q	carborane closo-butyl-sulfonamide
+C[C@@H]([C@H](C(=O)O)N)N	Q3S	(2r,3s)-2,3-diaminobutanoic acid
+B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CS(=O)(=O)N	Q3T	carborane methyl-sulfonamide
+B123B45B167B289B31B823B966B744B622C45C321CCCCS(=O)(=O)N	Q3W	carborane nido-butyl-sulfonamide
+c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)N4CC[C@H]([C@@H](C4)O)C(=O)O)F)C5CC5	Q3Y	(3s,4r)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1h-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid
+Cc1cc(ccc1c2cc(cc3c2CCN(C3=O)Cc4cc(cc(c4)OC)OC)C[N]5=C(N(C=C5)C)N)F	Q41	7-[(2-azanyl-3-methyl-imidazol-1-yl)methyl]-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoranyl-2-methyl-phenyl)-3,4-dihydroisoquinolin-1-one
+C1CC[C@H]2[C@H](C1)C[C@H](N2)C(=O)O	Q42	(2s,3ar,7as)-2,3,3a,4,5,6,7,7a-octahydro-1h-indole-2-carboxylic acid
+CC(=O)NC1=NC(=O)c2c([nH]cn2)N1	Q44	n-(6-oxo-6,9-dihydro-3h-purin-2-yl)acetamide
+S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25	Q46	fe4 h s5
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)Br)O)O	Q47	3-bromo dicyclotyrosine
+C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC	Q4A	n-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
+B123B45B167B289B31B823B966B744B622[C@@]45C321CCCCCS(=O)(=O)N	Q4B	carborane nido-pentyl-sulfonamide
+CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OCCN7CC(C7)(F)F	Q4D	(4s,7ar,9ar,10s,11e,18r)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-n-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide
+CC(C)(C)c1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl	Q4E	3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one
+c1cc(cc(c1)C(=O)O)c2cccc(c2)F	Q4G	3-(3-fluorophenyl)benzoic acid
+c1c(c(ncn1)N)C#N	Q4H	4-azanylpyrimidine-5-carbonitrile
+CC(C)COc1cc(nc2c1cccc2NC(=O)NCCCCOc3cccc(c3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C(=O)Nc5cccc6c5nc(cc6O)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)Nc9cccc1c9nc(cc1OCC(=O)O)C(=O)O	Q4I	8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid
+Cc1cc(n[nH]1)Nc2cc(nc(n2)C3CCC(CC3)(C(=O)N[C@@H](C)c4ccc(nc4)n5cc(cn5)F)OC)C	Q4J	pralsetinib
+CCOC(=O)[C@H]([C@@H](c1ccc(cn1)Br)O)F	Q4K	ethyl (2~{s},3~{r})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate
+COc1ccc2c(c1)cc([nH]2)C(=O)N3C[C@H](c4c3ccc5c4cc[nH]5)CCl	Q4M	[(1s)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2h)-yl](5-methoxy-1h-indol-2-yl)methanone
+c1cc2c(cc1F)cc([nH]2)C(=O)N3C[C@H](c4c3ccc5c4cco5)CCl	Q4P	[(8s)-8-(chloromethyl)-7,8-dihydro-6h-furo[3,2-e]indol-6-yl](5-fluoro-1h-indol-2-yl)methanone
+CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C	Q4Q	n-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide
+CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OC	Q4S	(4s,7ar,9ar,10s,11e,18r)-6'-chloro-n-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide
+c1cc(c(c(c1)C(=O)Nc2ccc(cc2CC(=O)O)F)F)c3cc(c(cc3F)Cl)O[C@@H]4CCCNC4	Q4T	2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{r})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid
+CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)O)O)O	Q4V	(4s,7ar,9ar,10s,11e,18r)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid
+CC(C)C1NC(=CS1)CN2C=Nc3ccc(cc3C2=O)Cl	Q4W	6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
+CN1C/C=C/CCCC[N@@]2C[C@@]3(CCCc4c3ccc(c4)Cl)COc5c2cc(cc5)[C@](CC1=O)(C(=O)O)O	Q4Y	(4s,11e,17r)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'h,3h,5h,7h-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid
+CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)COS(=O)(=O)[O-])O)O	Q4Z	[(3~{a}~{r},5~{r},6~{s},7~{r},7~{a}~{r})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{h}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N	Q50	{(1s)-1-benzyl-4-[3-carbamoyl-1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-(s)-propylcarbamoyl]-2-oxo-5-phenyl-pentyl}-carbamic acid tert-butyl ester
+C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)[C@@H]1C)O	Q51	(4s,7ar,9ar,10s,11e,14s,15r)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'h,3h,5h-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7h,17h)-trione
+COc1ccc2c(n1)c(ccn2)CCN3CCC(CC3)NCc4ccc(cc4)Cl	Q52	~{n}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
+c1cc2c(cc1C(=O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5	Q54	(3s)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2h,2'h-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid
+C[C@]1(CNc2c1cc(cc2C#N)c3ccnc(n3)Nc4cccnc4OC)CO	Q55	4s/3694
+c1cc2c(cc1[C@H](C(=O)O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5	Q57	(2r)-[(3s)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2h,2'h-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid
+C[C@@]1(CNc2c1cc(cn2)c3ccnc(n3)Nc4ccc(cc4OC)C(=O)NC5CCOCC5)CO	Q58	desf-3r/4076
+Cc1csc(n1)NC(=O)C2CCN(CC2)C(=O)N(C)Cc3ccc(cc3)F	Q5A	n~1~-[(4-fluorophenyl)methyl]-n~1~-methyl-n~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@@](CC(=O)O)(C(=O)O)O)O	Q5B	(3s)-citryl-coenzyme a
+c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N	Q5D	4-cyano-n-cyclopropyl-n-[(thiophen-2-yl)methyl]benzamide
+C(CCC(=O)O)CCN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	Q5E	1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione
+Cc1cc(ccc1OCCNC(=O)c2cccs2)Cl	Q5F	n-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide
+c1ccc2c(c1)N(C[C@@H](O2)C(=O)N)C(=O)CSCCC(=O)O	Q5G	3-({2-[(2r)-2-carbamoyl-2,3-dihydro-4h-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid
+Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3ccc(cc3)CN	Q5J	4-(aminomethyl)-n-(3-cyano-4-methyl-1h-indol-7-yl)benzene-1-sulfonamide
+c1ccc2c(c1)cccc2C(=O)CCC(=O)O	Q5M	4-(naphthalen-1-yl)-4-oxobutanoic acid
+CC(=O)NC[C@@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)OCn4cc(nn4)CNC(=O)[C@H](CCCCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O	Q5N	bcv-l6
+Cc1ccc2c(c1)c3c([nH]2)c(cc(c3Br)Br)O	Q5Q	3,6-dibromo-1-(hydroxymethyl)carbazole
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)C	Q5S	2-(acetylamino)-2-deoxy-1-o-[(s)-hydroxy{[(s)-hydroxy{[(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy}phosphoryl]oxy}phosphoryl]-alpha-d-glucopyranose
+CC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)CCS(=O)(=O)C)C(C)(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1[C@@H]2[C@H](C=S1)NC(=O)N2	Q5T	(4~{s})-4-[[(2~{s})-2-[[(2~{s})-2-[[(2~{s})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{s},4~{r},6~{a}~{r})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{h}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide
+COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2c3ccccc3c(cn2)N(CC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC	Q5V	n-[(4-methoxyphenyl)sulfonyl]-n-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine
+C/C(=C/c1ccc2cc(ccc2c1)C#C)/C(=O)OC	Q5W	methyl (~{z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate
+COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC	Q5Y	n-[(4-methoxyphenyl)sulfonyl]-n-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine
+Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)C4CCNCC4	Q5Z	4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[V](=O)(O4)[O])N=C(NC2=O)N	Q61	guanosine-5'-monophosphate-2',3'-vanadate
+C#CCNC(=O)[C@H](CCCCNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O	Q62	~{n}-[(5~{s})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-6-(prop-2-ynylamino)hexyl]-2,3-bis(oxidanyl)benzamide
+CC(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N	Q64	(2z)-2-benzylidene-3-oxo-n-(4-sulfamoylphenyl)butanamide
+B1(n2c(cc(c2C(C3=C(C[C@H](N31)C)C)CCCCc4cn(nn4)C[C@@H]5[C@H]([C@@H]([C@H]([C@H]6[C@@H]5O6)O)O)O)C)C)(F)F	Q65	(1~{s},2~{r},3~{s},4~{r},5~{r},6~{r})-5-[[4-[4-[(12~{r})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
+C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Nc4cccc(c4Cl)Cl	Q67	n~2~-(2,3-dichlorophenyl)-n-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]-l-alaninamide
+CCCCCCN[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1Cn2cc(nn2)CNC(=O)C)O)O)O	Q68	~{n}-[[1-[[(1~{s},2~{r},3~{r},4~{s},6~{s})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide
+CC(=O)/C(=C/c1ccc(cc1)OC)/C(=O)Nc2ccc(cc2)S(=O)(=O)N	Q6A	(2z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-n-(4-sulfamoylphenyl)butanamide
+C[C@H]1C/C(=C\C[C@@H](OC(=O)CCC[C@@H]1OC(=O)/C=C/C(=C/C(=C/C=C/C(=C/[C@@H]([C@H](C[C@H](C)O)O)O)/C)/C)/C)[C@@H](C)C/C(=C\[C@@H](C)[C@@H](C[C@@H](C)O)O)/C)/C	Q6B	[(6~{s},7~{s},9~{z},12~{r})-12-[(~{z},2~{s},6~{r},7~{r},9~{r})-4,6-dimethyl-7,9-bis(oxidanyl)dec-4-en-2-yl]-7,9-dimethyl-2-oxidanylidene-1-oxacyclododec-9-en-6-yl] (2~{e},4~{e},6~{e},8~{e},10~{e},12~{s},13~{s},15~{s})-4,6,10-trimethyl-12,13,15-tris(oxidanyl)hexadeca-2,4,6,8,10-pentaenoate
+CC(=O)/C(=C/c1cccs1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N	Q6D	(2z)-3-oxo-n-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide
+CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc2cc(c(cn2)Cl)c3cnn4c3CC(C4)(C)C	Q6E	(1~{s},3~{r})-3-acetamido-~{n}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide
+CS(=O)(=O)Nc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl	Q6F	n-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl)amino]benzamide
+CC(C)(COc1cc(c2c(cnn2c1)C#N)c3ccc(nc3)N4C[C@H]5C[C@@H](C4)N5Cc6ccc(nc6)OC)O	Q6G	selpercatinib
+c1cc(cc(c1)NC(=O)c2cc(ccc2[SeH])F)C(=O)N3CCOCC3	Q6H	5-fluoranyl-~{n}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@H]3CCC(=O)C4	Q6J	5alpha-dihydronandrolone
+CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc(n2)c3cn(c4c3cccc4)C	Q6K	~{n}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
+CC(CCCCCNCCCN)(O)O	Q6M	7-[(3-aminopropyl)amino]heptane-2,2-diol
+CC(C)c1cc(ccc1n2c(cc(n2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)c6c(cccc6OC)OC)C(=O)N(C)CCCN(C)C	Q6N	2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid
+COCC(CCCCCNCCCN)(O)O	Q6P	7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol
+COc1cccc(c1c2cc(nn2c3ccnc4c3ccc(c4)Cl)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O)OC	Q6Q	2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid
+[H]/N=C/1\N(C=CN1Cc2cc(cc(c2)C(=O)NCc3cc(cc(c3)OC)OC)c4ccc(cc4C)F)C	Q6S	n-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2e)-2-imino-3-methyl-2,3-dihydro-1h-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide
+c1cc(c2c(c1)OCO2)C(=O)O	Q6T	1,3-benzodioxole-4-carboxylic acid
+c1ccnc(c1)CNC(=O)CCc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6	Q6W	3-{5-oxo-3-[1-(piperidin-4-yl)-1h-pyrazol-4-yl]-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-n-(pyridin-2-ylmethyl)propanamide
+Cc1c(cn2ccnc2c1CN3CCN([C@H](C3)C)C(=O)C4CCCC4)NC(=O)c5cnc(nc5)C	Q6Y	~{n}-[8-[[(3~{s})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide
+C[C@H]1CCC[C@H]([C@@H]1O)O	Q6Z	(1r,2r,3s)-3-methylcyclohexane-1,2-diol
+c1cc2c(cc1F)S(=O)(=O)NC(=O)N2	Q71	7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione
+[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)/C(=N\[H])/N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)/N	Q72	(s)-4-(4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carbonyl)piperidine-1-carboximidamide
+c1cc2c(cn(c2nc1)CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F	Q74	2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1h-pyrrolo[2,3-b]pyridin-1-yl)acetic acid
+c1c(scn1)C[C@@H](C=O)N	Q75	2-amino-3-(thiazol-5-yl)propanoic acid
+Cc1cc(c2c(c1)S(=O)(=O)NC(=O)N2)C	Q77	5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione
+c1cscc1C[C@@H](C(=O)O)N	Q78	l-3-thienylalanine
+c1cc2c(c(c1)Cl)NC(=O)NS2(=O)=O	Q7A	5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2h,4h)-trione
+Cc1ccc(cc1)C[C@]2(C[C@H]2c3ccccc3)C(=O)O	Q7B	(1~{s},2~{s})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1	Q7G	2-{[(4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25r)-spirost-5-en-3-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranoside
+CN1CCCN(C(=O)COc2cc(ccc2O[C@H]3CCOC=C3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7H	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H](CCO)O)O	Q7J	1,4-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
+CN1CCCN(C(=O)COc2cc(ccc2OC3CCOCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7K	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+c1ccc2c(c1)nc3c(c(n(c3n2)c4ccc(cc4)NC(=O)Nc5cccc(c5)C(F)(F)F)N)C(=O)N	Q7M	2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide
+COc1cccc(c1)CNC(=O)c2ccccc2[SeH]	Q7N	~{n}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCCO	Q7P	6-[(4-hydroxybutyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
+CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC	Q7Q	6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCO	Q7S	6-[(3-hydroxypropyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)CNC(=O)c2ccccc2[SeH]	Q7T	~{n}-(phenylmethyl)-2-selanyl-benzamide
+Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl	Q7U	1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea
+[B+](CCCCCNCCCN)(O)(O)O	Q7V	5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
+c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)[SeH]	Q7W	~{n}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide
+C(CCC(=O)CS)CCNCCCN	Q7Y	7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one
+CN1CCCN(C(=O)COc2cc(ccc2OCCOC)Nc3c4c(c[nH]c4ncn3)C1)C	Q7Z	6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+c1cc(ccc1CC[C@]2(OC[C@H](O2)CSc3ccc(cn3)C(F)(F)F)Cn4ccnc4)Cl	Q80	2-({[(2r,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H](C[C@@H](CO)O)O	Q81	1,3-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=NC#N)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O	Q82	{[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis(4-hydroxymethyl)methyl]-4,7-bis(phenylmethyl) -2h-1,3-diazepin-2-ylidene]cyanamide}
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCC[C@@H]([C@@H](CO)O)O	Q84	1,2-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
+COc1ccc(cc1)CNC(=O)c2ccccc2[SeH]	Q85	~{n}-[(4-methoxyphenyl)methyl]-2-selanyl-benzamide
+c1ccc(cc1)CCC(=O)Cn2cncn2	Q86	4-phenyl-1-(1h-1,2,4-triazol-1-yl)butan-2-one
+CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O	Q87	1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
+c1nc(c2c(n1)[nH]c(n2)N)N	Q88	9h-purine-6,8-diamine
+c1cc2cccnc2c(c1)N	Q8A	quinolin-8-amine
+CN1CCCN(C(=O)COc2cc(ccc2OCC(=O)NC3CCCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q8B	n-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide  
+c1cc2c(cc1C(=O)O)nnn2C3CCCCC3	Q8D	1-cyclohexyl-1h-benzotriazole-5-carboxylic acid
+COc1ccc(cn1)CNC(=O)c2ccccc2[SeH]	Q8E	~{n}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide
+c1cc2c(cc1C(=O)O)ncn2C3CCCCC3	Q8G	1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
+c1ccc(c(c1)C(=O)NCc2cccnc2)[SeH]	Q8H	~{n}-(pyridin-3-ylmethyl)-2-selanyl-benzamide
+CCN1CCN(CC1)C(=O)Nc2cc(ccn2)c3cn(c4c3ccnc4)C5CCOCC5	Q8J	4-ethyl-n-{4-[1-(oxan-4-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide
+c1cc-2cc(c1)C(=O)NCCN(/C=C/N(c3ccn4c(c2cn4)n3)CCO)C5CC5	Q8K	11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one  
+c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br	Q8M	5-bromo-3-chloro-n-(1-cyclopentyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
+CNC(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	Q8P	4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-n-methyl-1h-imidazole-2-carboxamide
+CN1CCNc2ccn3c(n2)c(cn3)-c4cccc(c4)C(=O)NCC1	Q8Q	11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one 
+Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	Q8S	5-bromo-3-chloro-n-(1-cyclopentyl-2-methyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
+CN1CCN(CC1)c2ccc3cc2OCC(=O)N(CCCN(Cc4c[nH]c5c4c(ncn5)N3)C)C	Q8T	11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
+CCOC(=O)/C(=C(/c1ccccc1)\N)/C#N	Q8V	ethyl (2z)-3-amino-2-cyano-3-phenylprop-2-enoate
+c1cc-2cc(c1)O/C=C/N(CCNc3ccn4c(c2cn4)n3)CCN5CCOCC5	Q8W	10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
+c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cccn3	Q92	3-quinolin-6-ylbenzoic acid
+CC(=O)Nc1nnc(s1)N[C@@H]2CCN(C2)c3nnc(s3)NC(=O)C	Q94	n-{5-[(3r)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCC)/c3ccc(cc3)O	Q97	4,4'-[(1z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol
+c1cc-2cc(c1)C(=O)NCCOCCNc3ccn4c(c2cn4)n3	Q98	11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
+CC(=O)Nc1nnc(s1)N[C@H]2CCN(C2)c3nnc(s3)NC(=O)C	Q9A	n-{5-[(3s)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+c1cc-2cc(c1)C(=O)NCCCCCNc3ccn4c(c2cn4)n3	Q9B	8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
+CC(=O)NCCCCNCCCN	Q9C	n-{4-[(3-aminopropyl)amino]butyl}acetamide
+CC(=O)[C@H](Cc1cccc(c1)[N+](=O)[O-])NC(=O)OCc2ccccc2	Q9D	benzyl [(2s)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate
+CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@@H](NC2=O)C(=O)N(C)C	Q9E	(5s,8r)-8-[[(2s)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-n,n-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide
+Cc1ccc(cc1c2c3c(c4c(n[nH]c4n2)N)CCCC3)F	Q9G	5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-3h-pyrazolo[3,4-c]isoquinolin-1-amine
+c1nc(c2c(n1)n(c(n2)C#CCOC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5NCCN)O)O)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N	Q9H	(2~{r},3~{r},4~{s},5~{r})-2-[6-azanyl-8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
+c1cc2c(cc1c3c(c4n(n3)C[C@@H]5C[C@H](N4)[C@H](C5)O)C(=O)N)ncs2	Q9J	(5s,6s,8r)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCN)CC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N	Q9K	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC(C3)Oc4nnc(s4)NC(=O)Cc5ccccc5	Q9M	2-phenyl-n-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CNC(=O)CCCN)O)O)N)O)O)N	Q9N	~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide
+c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl	Q9P	azolopyrimidine
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)SCc2ccc(cc2)OCc3cn(nn3)CCOCCOCCOCCO)O)O)O	Q9Q	4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1h-1,2,3-triazol-4-yl)methoxy)benzyl-a-l-thiofucoside
+C1CN(CCC1Oc2nnc(s2)N)c3nnc(s3)N	Q9S	5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine
+c1c(cc(c(c1c2cc(no2)C(F)(F)F)O)Br)Br	Q9T	2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
+CC(=O)Nc1nnc(s1)N2CCC(CC2)Oc3nnc(s3)NC(=O)C	Q9V	n-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
+CC(C)CCn1c(c(nn1)O)C(=O)NC	Q9Y	~{n}-methyl-3-(3-methylbutyl)-5-oxidanyl-1,2,3-triazole-4-carboxamide
+CC(C)CCN1CC(=O)N=N1	Q9Z	3-(3-methylbutyl)-4~{h}-1,2,3-triazol-5-one
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=Cc5c(cno5)C[C@]34C	QA1	danazol
+C1CC1CC(=O)Nc2nnc(s2)N3CCC(CC3)Oc4nnc(s4)NC(=O)CC5CC5	QA4	2-cyclopropyl-n-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+CC(C)CC(=O)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	QA7	5'-o-{(s)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine
+CC[C@H](CC(=O)O)C(=O)C(=O)O	QA8	(3~{r})-3-ethyl-2-oxidanylidene-pentanedioic acid
+c1ccc(cc1)CC(=O)Nc2ccc(nn2)N3CCC(CC3)Oc4ccc(nn4)NC(=O)Cc5ccccc5	QAA	2-phenyl-n-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide
+C1CCc2c(c(c(s2)N)C(=O)O)C1	QAB	2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
+c1cc(ccc1CO)C(=O)NCCC(=O)O	QAC	n-[4-(hydroxymethyl)benzoyl]-beta-alanine
+COc1cc2cc(sc2cc1OC)C(=O)CCC(=O)O	QAD	4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
+CCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl	QAE	6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
+CCCCC#Cc1ccc[n+](c1)CC(P(=O)([O-])[O-])P(=O)([O-])[O-]	QAF	{2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate)
+Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)Nc4ccc(c(c4)F)C#N)C)/C=C/C#N	QAG	4-[(4-{4-[(e)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile
+[H]/N=C(\CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)/[C@H](C=C)O	QAH	[(2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(3~{s})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate
+c1cc(cnc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5cccnc5	QAJ	2-(pyridin-3-yl)-n-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide
+C[C@H](CCCC[C@@H](C)CCC[C@H](C)/C=C/C[C@H](C)/C=C/CC(C)C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)(C)O	QAK	(6~{r},10~{s},14~{r},19~{r},23~{s},24~{e},27~{s},28~{e})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol
+c1ccc(cc1)CC(=O)Nc2nnc(s2)OC3CCN(CC3)c4nnc(s4)N	QAM	n-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
+CC1=Cc2c(cnc(c2NC1=O)N[C@@H]3CCN(C[C@H]3C(=O)NC4CCCCC4)C)c5ccco5	QAN	(3~{r},4~{r})-~{n}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{h}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide
+c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O	QAP	2-phenylethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
+c1ccc2c(c1)nc(n2c3ncnc(n3)NCC#N)Nc4cccc(c4)O	QAQ	[(4-{2-[(3-hydroxyphenyl)amino]-1h-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile
+Cc1nc(nc(n1)n2c3ccccc3nc2Nc4cc[nH]n4)N	QAR	1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-n-(1h-pyrazol-3-yl)-1h-benzimidazol-2-amine
+c1cc(nc(c1C(=O)O)C(=O)O)S	QAS	 6-mercaptopyridine-2,3-dicarboxylic acid
+C1C(=S)C=NC(=C1C(=O)O)C(=O)O	QAT	5-mercaptopyridine-2,3-dicarboxylic acid
+COc1cc2c(cc1CCCc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O	QAV	4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid)
+c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN	QAY	8-[4-(2-azanylethyl)pyrazol-1-yl]-3h-pyrido[3,4-d]pyrimidin-4-one
+CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3C(=O)NC4CCCCC4	QAZ	(3r,4r)-n-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide
+COc1cc2cc(sc2cc1OCCCOc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)C(=O)CCC(=O)O	QB1	4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid
+C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F	QB4	(10r)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2h-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile
+CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[nH]cn3	QB5	n-(2-(1h-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
+COc1cc2cc(sc2cc1OCCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)C(=O)CCC(=O)O	QB7	4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid
+CC(=O)Nc1ccc2ccn(c2c1)c3cc(n4c(n3)c(cn4)C#N)NC5CC5	QB8	~{n}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide
+COc1cc2cc(sc2cc1OCCCOc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O)C(=O)CCC(=O)O	QBA	4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid)
+c1cc(ccc1C(=O)Nc2ccc3c(c2)CNCC3)F	QBB	4-fluoro-n-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
+COc1cc(c2cc(sc2c1)C(=O)CCC(=O)O)CCCc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O	QBD	4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
+CCC(=O)Nc1cc(ccc1C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4	QBE	~{n}-[5-[[3-cyano-7-(cyclopropylamino)-3~{h}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide
+COc1cc2c(cc1OCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)cc(s2)C(=O)CCC(=O)O	QBG	4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid
+CCCN1[C@H](COC1=O)Cc2cc(ccc2O)C[C@@H]3CS(=O)(=O)C[C@@H]([C@H]3O)NCc4cccc(c4)C(C)C	QBH	(4s)-4-(2-hydroxy-5-{[(3s,4s,5r)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2h-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one
+COc1cc2c(cc1/C=C\COc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O	QBJ	4-{5-[(1z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid
+C12=NC(=O)SC1=NC(=NC2=O)N	QBK	5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione
+CCCSc1nc(c(nn1)C)O	QBM	6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol
+CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccccc3	QBN	2-[4-[(~{z})-1,2-diphenylbut-1-enyl]phenoxy]-~{n}-methyl-ethanamine
+c1cc(ccc1c2[nH]nnn2)C(F)(F)F	QBP	5-[4-(trifluoromethyl)phenyl]-1h-tetrazole
+c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	QBQ	7-deaza-gtp
+CC(=O)[C@@H](C#N)c1ccc(cc1)Cl	QBS	(2r)-2-(4-chlorophenyl)-3-oxobutanenitrile
+C[C@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	QBT	[(2r,3s,5r)-3-hydroxy-5-[(5s)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
+c1cc(c(cc1/C=C/C(=O)O)Br)O	QBV	(2e)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid
+c1ccc(cc1)CNCCc2ccc(c(c2)O)O	QBW	4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol
+CCSc1c2cc(ccc2ncc1C(=O)N3CCOCC3)OCc4ccccc4	QBY	6-(benzyloxy)-4-(ethylsulfanyl)-3-[(morpholin-4-yl)
+C[C@](Cn1ccnn1)([C@H](C(=O)O)/N=C/CC(=O)O)[S-](=O)=O	QBZ	(2~{s},3~{s})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{e})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid
+Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccoc5	QC0	n-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]furan-3-carboxamide
+c1cc(ccc1CNc2cnccc2C(=O)O)F	QC1	3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid
+c1cc(cc(c1)O)c2ccnn2c3cc(ccn3)C(=O)O	QC2	2-[5-(3-hydroxyphenyl)-1h-pyrazol-1-yl]pyridine-4-carboxylic acid
+C[C@H]([C@@H](C1=N/C(=C\c2cc(c(c(c2F)F)O)F)/C(=O)N1CC(=O)O)N)O	QC4	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+CN(C)CCn1cc(c(n1)n2cccc2)c3ccc(cc3)F	QC5	2-(4-(4-fluorophenyl)-5-(1h-pyrrol-1-yl)-1h-pyrazol-1-yl)-n,n-dimethylethanamine
+C[C@H]1[C@H]2[C@H](CC[C@]1(C)[C@H](C)[C@H](C)CCC(=O)C)[C@]3(CC[C@H](C[C@H]3C[C@H]2O)O)C	QC7	(5r,6r)-6-[(1s,2r,4as,4bs,7r,8as,10r,10as)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one
+CNC(=O)c1cc(cc2c1O[C@@H]([C@H]2c3ccccc3)CF)C(=O)NC4[C@H]5[C@@H]4COC5	QC8	(2~{s},3~{s})-2-(fluoranylmethyl)-~{n}7-methyl-~{n}5-[(1~{r},5~{s})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)N(=O)=O)O)/C(=O)N1CC(=O)O)N)O	QCA	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C[C@H]([C@@H](C(=O)O)NC(=O)CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	QCB	(2~{s},3~{r})-2-[2-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid
+C[C@H]([C@@H](C1=N/C(=C\c2ccc(c(c2)OC)O)/C(=O)N1CC(=O)O)N)O	QCD	{(4z)-2-[(1r,2r)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl }acetic acid
+CC1=CN(C(=O)N(C1=O)CC(=O)NC)[C@H]2C[C@@H]([C@H](O2)COP(O)O)O	QCE	n3-(n-(1-amino-4-methyl-1-oxopentan-2-yl)-2-amino-2-oxo-ethyl)-2'-deoxythymidine
+Cc1c(cc(c2c1CCCO2)F)c3c(c(nc4n3nc(c4)c5ccccc5)C)[C@@H](C(=O)O)OC(C)(C)C	QCG	(2s)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2h-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
+CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	QCH	(2s)-6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+CC1=CN(C(=O)N(C1=O)Cc2cnn[nH]2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	QCK	(4-methyltriazole)-thymidine-5'-monophosphate
+CCC(CC)COc1cc(nc2c1cccc2N)C=O	QCL	8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde
+CCN(CC)Cc1ccc2cc(ccc2c1)COC(=O)Nc3ccc(cc3)C(=O)NO	QCM	givinostat
+CC(C)(C)c1cc(ccc1O)C[C@@H](C=O)N	QCN	(2~{s})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal
+CC(C)[C@@H](c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO	QCP	ar-42
+c1ccc(cc1)CNc2c3c(nc(n2)Cl)n(cn3)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)F	QCQ	[[(2~{r},3~{r},4~{s},5~{r})-5-[2-chloranyl-6-[(phenylmethyl)amino]purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+C([C@@H](C(=O)O)N)SC(=O)N	QCS	s-carbamoyl-l-cysteine
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O	QCT	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-3-yl 6-deoxy-alpha-l-mannopyranoside
+C=Nc1ccc(cc1)N(=O)=O	QCV	n-(4-nitrophenyl)methanimine
+CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2	QCW	~{n}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide
+C[n+]1c2ccccc2sc1/C=C/c3ccc(c(c3)/C=C/c4[n+](c5ccccc5s4)C)O	QCY	2,2'-{(4-hydroxy-1,3-phenylene)di[(e)ethene-2,1-diyl]}bis(3-methyl-1,3-benzothiazol-3-ium)
+CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3	QCZ	~{n}5-cyclopropyl-~{n}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC)O	QD0	(2s,4r)-n-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+CNS(=O)(=O)c1cc(cnc1OC)N2CCOc3c2cc(cc3)C(=O)NC4CCN(CC4)C	QD2	4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{n}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
+CNC(=O)C1=CC(=CN(C1=O)Cc2cccc3c2cc[nH]3)C(=O)NC4CC4	QD5	~{n}5-cyclopropyl-1-(1~{h}-indol-4-ylmethyl)-~{n}3-methyl-2-oxidanylidene-pyridine-3,5-dicarboxamide
+CP(=O)(CCCN)O	QD7	(r)-(3-aminopropyl)methylphosphinic acid
+CSc1nc(c(c(n1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3	QDA	n~4~,n~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine
+c1cc2c(cc(nc2c(c1)N)C=O)CC(=O)O	QDD	2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid
+CN(C)Cc1ccc2c(c1)N(CCO2)c3cc(c(nc3)OC)NS(=O)(=O)C	QDE	~{n}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide
+CC[C@H](C)N1C(=O)N(C=N1)c2ccc(c(c2)Br)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl	QDG	4-(3-bromo-4-{4-[4-({(2r,4s)-2-(2,4-dichlorophenyl)-2-[(1h-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2s)-butan-2-yl]-2,4-dihydro-3h-1,2,4-triazol-3-one
+C[C@@H](c1ccccc1F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl	QDH	[[(2~{r},3~{s},4~{r},5~{r})-5-[6-chloranyl-4-[[(1~{s})-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
+CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3cccc4c3cccc4)C(=O)NCc5cccnc5	QDJ	tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+C([C@@H]([C@@H](C(=O)CO)O)O)O	QDK	l-ribulose
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N(C)C)O	QDM	tdp-3,6-dideoxy-3-n,n-dimethylglucose
+COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O	QDN	quinidine
+c1ccc2c(c1)[n+](c(c([n+]2[O-])CBr)CBr)[O-]	QDO	2,3-bis(bromomethyl)quinoxaline 1,4-dioxide
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3cccc4c3cccc4)C(=O)/N=C/Cc5cccnc5	QDP	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2s)-3-(naphthalen-1-yl)-1-oxo-1-{(e)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O)NC(=O)c7cccc(c7O)O	QDQ	~{n}-[2-[[(2~{s})-3-[[(2~{s})-3-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide
+Cc1cccc2c1N=C(NC2=O)CSc3[nH]nc(n3)N	QDR	2-{[(3-amino-1h-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3h)-one
+c1ccc2c(c1)ncc(n2)C(=O)N[C@H](CO)C(=O)O	QDS	n-(quinoxalin-2-ylcarbonyl)-d-serine
+CC(C)COC(=O)C1(CC1)c2nc3c(ccc(n3n2)c4ccc5c(c4)COC5=O)OC	QDT	2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{h}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCc4cccnc4	QDV	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1	QDW	methoxymethyloxathiatetraazatetracyclodocosahexaenedione
+CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4	QDY	tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)CN(C)C	QDZ	~{n},~{n}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{h}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
+c1cc(c(cc1F)C(=O)O)NS(=O)(=O)c2ccc3c(c2)CCCC3	QE2	5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCc4cccnc4	QE4	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+Cc1ccc(cc1C)S(=O)(=O)Nc2ccc(cc2C(=O)O)F	QE5	2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid
+C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC[C@H]2[C@@H](C[C@H]([C@H]([C@@H]2O)O)O)O)O)O)O)CO	QE8	(1~{r},2~{r},3~{r},4~{s},5~{r})-4-[[(1~{s},2~{s},3~{s},4~{r},5~{r})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol
+CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4	QEA	tert-butyl [(2r)-1-(1h-indol-3-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+O12[Re]3O4[Re]1O5[Re]2O3[Re]45	QEB	[re4(mu3-oh)4(co)12]
+c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCNC(=O)C3=CC=CC(=O)N3O	QED	n,n'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide)
+CC(C)(C)OC(=O)c1ccc(nc1)n2c(c(cn2)n3ccnn3)O	QEE	~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate
+c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N	QEG	n~2~-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-l-glutaminyl-l-alpha-glutamine
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O	QEH	(7r)-4,7-dihydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide
+c1c(c2c([nH]1)N=C(NC2=O)N)CN[C@H]3C=C[C@@H]([C@@H]3O)O	QEI	2-amino-5-({[(1s,4s,5r)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C1C[C@H](NC1)C#N	QEJ	(2s)-pyrrolidine-2-carbonitrile
+Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(c(c2)Cl)CNC(=O)c3c4ccccc4[nH]n3	QEK	2-[[3-chloranyl-4-[(1~{h}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid
+C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3	QEL	4-[(1r,2s)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
+C[C@@H](CN1CCC(CC1)Cc2ccccc2)[C@H](c3ccc(cc3)O)O	QEM	4-[(1r,2s)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
+c1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(cc3C(=O)O)Br	QEN	5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CSC[C@@H](C(=O)NCc3cccnc3)Nc4ccccc4	QEP	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
+c1cn(nn1)c2cnn(c2O)c3cc(ncn3)N4CCOCC4	QEQ	2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol
+CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)CSC[C@H](C(=O)NCc3cccnc3)Nc4ccccc4	QES	tert-butyl [(2r)-1-(1h-indol-3-yl)-3-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
+CS(=O)(=O)c1ccc(c(c1)C(=O)N2Cc3cc(c(cc3C2)F)OC4CCOCC4)OCC(C(F)(F)F)(F)F	QET	[5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone
+Cc1c(ncn1c2cccc(c2F)Cl)C(=O)N[C@H]3CCC[C@H](C(=O)Nc4cc(ccc4-c5ccnc3c5)NC(=O)OC)C	QEV	methyl [(3r,7s)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1h-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
+C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)c4cnn(c4N)c5cccc(c5F)Cl	QEY	methyl [(3r,7s)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1h-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
+c1cc2c(cc1S(=O)(=O)Nc3ccc(cc3C(=O)O)Br)CCCC2	QEZ	5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid
+CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	QF1	5-bromo-3-chloro-n-[1-cyclopentyl-2-(methylsulfonyl)-1h-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide
+COc1cc(cc2c1OCO2)CN(CC3=CC(=O)NC(=O)N3)C4CC4	QF2	6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{h}-pyrimidine-2,4-dione
+c1ccc(cc1)COC(=O)N[C@@H](Cc2cccc(c2)N=[S@](=O)(N3CCC(CC3)C(=O)N)F)C#N	QF4	benzyl [(1s)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)N[C@@H]5CCNC5	QF8	~{n},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{r})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
+Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)N[C@@H]5CCOC[C@@H]5N)C(=O)NC	QFB	7-[[4-[4-[[(3~{r},4~{r})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{n},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)OCO)O	QFD	(3s,6s)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
+Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)N[C@@H]6CCOC[C@@H]6N	QFE	(3~{r},4~{r})-~{n}4-[1-[2-(1-methylindol-4-yl)-3~{h}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine
+[H]/N=C(\CCC(=O)N)/C1=N/C(=C/c2ccccc2)/C(=O)N1CC(=O)O	QFG	{(4e)-2-[(1e)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+C[C@@H]([C@@](C)(C(=O)O)O)O	QFH	(2s,3s)-2,3-dihydroxy-2-methylbutanoic acid
+CC(C)C[N@@](C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(O)O)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	QFI	({4-[(2s,3r)-2-({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}butyl]phenoxy}methyl)phosphonic acid
+CCC(=O)SCC[N+](C)(C)C	QFJ	propionylthiocholine
+Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)CN(C)C)C(=O)NC	QFK	7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{n},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
+c1ccc(c(c1)CSC2=NCCN2)Cl	QFM	2-((2-chlorobenzyl)thio)-4,5-dihydro-1h-imidazole
+Cc1c2c(n(n1)C3CC3)C(=O)N([C@@H]2c4ccc(cc4)Cl)C5=CN(C(=O)C(=C5)C)C	QFN	(4~{r})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{h}-pyrrolo[3,4-c]pyrazol-6-one
+B(c1ccccc1)(O)OCCO	QFP	2-hydroxyethyl hydrogen phenylboronate
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)C(=O)NC)N[C@@H]5CCCNC5	QFQ	~{n},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{r})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
+B(c1cccc(c1)OC)(O)OCCO	QFS	2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate
+c1cc(c(cc1N(=O)=O)O)F	QFT	2-fluoranyl-5-nitro-phenol
+Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)cccc2NS(=O)(=O)c6ccccc6Cl	QFV	2-chloro-n-(6-methyl-5-{[3-(2-{[(3s)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide
+CCCOc1ccc2cc(ccc2c1)S(=O)(=O)Nc3ccc(c(c3)O)C(=O)O	QFW	2-oxidanyl-4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid
+c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	QFY	{n-(2-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
+c1(c(c(c(c(c1F)F)F)F)F)O	QFZ	2,3,4,5,6-pentakis(fluoranyl)phenol
+c1ccnc(c1)C[N+]2(Cc3cccc[n+]3[Fe]2)CCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5	QG1	{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-n-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)pentanamide}iron(2+)
+CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O	QG2	(2~{s},3~{s},4~{r},5~{r},6~{s})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+c1cc[n+]2c(c1)C[N+]3([Fe]2([n+]4ccccc4C3)N=[N+]=N)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	QG4	{n-(2-{bis[(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappan~1~)iron(4+)
+c1ccnc(c1)CN(CCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)Cc4ccccn4	QG7	n-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccccc6)NC(=O)OC	QG8	methyl ((s)-1-(2-([1,1'-biphenyl]-4-ylmethyl)-2-(3-((3s,4s)-3-benzyl-4-hydroxy-1-((1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)-2-oxopyrrolidin-3-yl)propyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
+CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC	QG9	methyl ((s)-1-(2-(3-((3s,4s)-3-benzyl-4-hydroxy-1-((1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl)-2-oxopyrrolidin-3-yl)propyl)-2-(4-(pyridin-4-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
+C1CCC(CC1)CCC(=O)N(CCO)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O	QGA	1-[(3-cyclohexylpropanoyl)(2-hydroxyethyl)amino]-1-deoxy-d-allitol
+C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N	QGB	5-(4-((2s,5s)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4h-1,2,4-triazol-3-amine
+CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC	QGD	o-{(r)-hydroxy[(2r)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-l-serine
+CCCc1cc2c(cc1OC(=O)C)OC=C(C2=O)c3nc(cs3)C	QGE	[3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate
+C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CC1)OCc2ccc(cc2Cl)Cl)N(C=O)O)c3ncc(cn3)F	QGF	n-[(2s,4s)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-n-hydroxyformamide
+c1cc2c(cc1S(=O)(=O)N3CCC[C@@H]3C(=O)O)c(ncc2Cl)N=C(N)N	QGG	1-({4-chloro-1-[(diaminomethylidene)amino]isoquinolin-7-yl}sulfonyl)-d-proline
+C[C@@H]1c2c(c3ccccc3[nH]2)CCN1	QGH	(1~{r})-1-methyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+c1ccc(cc1)CCCNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@H]([C@H](O3)COP(=O)(O)O)O	QGJ	1-(2-deoxy-5-o-phosphono-beta-d-threo-pentofuranosyl)-2,4-dioxo-n-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
+C[C@H]1c2c(c3ccccc3[nH]2)CCN1	QGK	(1~{s})-1-methyl-2,3,4,9-tetrahydro-1~{h}-pyrido[3,4-b]indole
+c1ccc(cc1)NC(=O)N[C@H]2C[C@@H](Nc3c2c(cc(c3)Cl)Cl)C(=O)O	QGM	(2r,4s)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
+Cc1c(nnc2c1c(n[nH]2)N)C	QGN	4,5-dimethyl-1~{h}-pyrazolo[3,4-c]pyridazin-3-amine
+c1cc(c(cc1Cl)Cl)c2cc(c(c(c2)CP(=O)(O)O)O)C[C@@H](C(=O)O)N	QGP	(2s)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid
+Cc1cc(ncn1)SCc2c(noc2C)C	QGQ	3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole
+CC(C)c1cc(cc(c1)[C@@H](Cn2ccc3c2c(ccc3)C(=O)O)O)c4ccc5c(c4)[C@@H](CO5)N	QGS	1-[(2s)-2-{3-[(3s)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1h-indole-7-carboxylic acid
+Cc1c2cc(cnc2n(n1)c3ccccn3)C(=O)c4ccccc4O	QGV	(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1h-pyrazolo[3,4-b]pyridin-5-yl]methanone
+CCCc1cc2c(cc1OC(=O)C)OC(=C(C2=O)c3nc(cs3)C)C	QGW	[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate
+c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QGZ	5-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid
+CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)C(=O)C)c5cncnc5)F	QH1	n-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1h-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide
+c1ccc(cc1)[C@H]2C[C@@H]2c3c(cnn3c4cccc(c4)N(CC(=O)O)S(=O)(=O)c5ccccc5)C(=O)O	QH2	1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid
+[H]/N=C(\N)/SCc1ccc(c(c1)Cl)Cl	QH3	3,4-dichlorobenzyl carbamimidothioate
+CCC(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6	QH4	{(2s)-4-[2-{[(2s)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile
+c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)c4n[nH]nn4)C5CC5	QH5	~{n}-[3-[5-cyclopropyl-4-(2~{h}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide
+CCCCc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QH8	1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=C)F)O)S(=O)(=O)c4ccc5c(c4)oc(n5)NC	QHA	(3r,3as,4r,6ar)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+COc1cccc2c1[nH]nn2	QHB	7-methoxy-1~{h}-benzotriazole
+CCC(=O)N[C@@H]1CCCc2c1cncc2c3ccc(c(c3)F)Cl	QHC	n-[(8r)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@](C[C@](CC(=O)O)(C(=O)O)O)(O)OP(=O)(O)O)O	QHD	(2~{r})-2-[(2~{r})-2-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{r},4~{s},5~{s})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid
+CCc1nnc2n1c(cs2)c3ccccc3	QHE	3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
+Cc1c(c(on1)C)CCC2CCN(CC2)S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(cn3)F)N(C=O)O	QHF	n-[(2s,4s)-1-({4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-n-hydroxyformamide
+CC(C)CN1CCc2cc(ccc2[C@H]1c3ccc(cc3)/C=C/C(=O)O)O	QHG	(e)-3-[4-[(1r)-6-hydroxy-2-isobutyl-3,4-dihydro-1h-isoquinolin-1-yl]phenyl]prop-2-enoic acid
+CCCC[C@H]1CCCN1C(=O)[C@H]2CCC[C@H](C2)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5	QHH	1-[3-[(1~{r},3~{s})-3-[(2~{s})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CS(=O)(=O)CC6CCCCC6)C(=O)O	QHJ	(r)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
+c1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QHK	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]pyrazole-4-carboxylic acid
+c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N	QHL	delta-[ru(tap2-dppz-cn]2+
+CCN(CC)CCNc1ccc(c2c1C(=O)c3ccccc3S2)CO	QHM	hycanthone
+c1ccc(cc1)n2c(c(cn2)C(=O)O)C3CC3	QHN	5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC45CC6CC(C4)CC(C6)C5)C(=O)O	QHP	(r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3r,5r,7r)-adamantan-1-ylmethyl)sulfonyl)propanoic acid
+COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QHQ	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC4CCCCC4)C(=O)O	QHS	(r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
+Cc1cc(c(c(c1C)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C	QHT	5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3cccc(c3)c4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	QHV	(r)-3-(benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid 
+Cc1cc(c(c(c1C)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C	QHW	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
+CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(=O)O	QHY	1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid
+COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)[C@H]4C[C@@H]4c5ccccc5	QHZ	1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid
+c1cc(ccc1CN(CCCC(=O)NO)Cc2ccc(cc2)Cl)Cl	QI1	4-[bis(4-chlorobenzyl)amino]-n-hydroxybutanamide
+Cc1cc(ccc1F)CCC[N@](C)CC[C@@H](C[C@H](c2ccc(cc2)F)OC)C(=O)NO	QI2	(2s,4r)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-n-hydroxy-4-methoxybutanamide
+c1cc(ccc1O[C@@H]2C[C@H](N(C2)S(=O)(=O)c3ccc(cc3)Cl)C(=O)NO)Cl	QI3	(4r)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-n-hydroxy-l-prolinamide
+COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O	QI9	quinine
+C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O	QIC	(1s,3r,4s,5r)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
+c1ccc(cc1)S(=O)(=O)c2ccc3c(c2)C(=O)N(C(=O)N3)O	QID	3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1h,3h)-dione
+C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O)O	QIF	1-deoxy-7-o-phosphono-alpha-d-gluco-hept-2-ulopyranose
+Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5	QIG	n-1h-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
+CC[C@H](C)[C@@H](C(=O)O)NC=O	QIL	n-formyl-l-isoleucine
+CCCC[C@@H]([C@H](Cc1ccsc1)NC(=O)c2cc(nc(c2)N(C)S(=O)(=O)C)NC[C@H]3C[C@@H]3C)N	QIN	n-[(1s,2s)-2-amino-1-(3-thienylmethyl)hexyl]-2-({[(1s,2s)-2-methylcyclopropyl]methyl}amino)-6-[methyl(methylsulfonyl)amino]isonicotinamide
+CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O	QIU	3-[3-(2-acetamidoethyl)phenyl]benzoic acid
+CC(=O)Nc1nc2cc(ccc2s1)O	QIV	n-(5-oxidanyl-1,3-benzothiazol-2-yl)ethanamide
+[H]/N=C(/N)\NCCC[C@@H](C(=O)NCC(=O)NCC(=O)N)NC(=O)[C@H](Cc1ccc2ccccc2c1)CC(=O)NO	QIX	n~2~-[(2r)-4-(hydroxyamino)-2-(2-naphthylmethyl)-4-oxobutanoyl]-l-arginylglycylglycinamide
+COC(=O)N1CC[C@H](SCC1)c2cccs2	QJ1	methyl (7s)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
+Cc1cc(nc(c1)N)CCCCCc2cc(cc(n2)N)C	QJ2	6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C	QJ4	6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine)
+CCCc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QJ5	5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
+Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F	QJ7	6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)COC[C@@H]2C[C@H](CN2)OCc3cc(cc(n3)N)C	QJ8	6-({[(3r,5s)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine
+CCN1c2ccccc2N(C1=O)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6o5	QJ9	1-{(3s)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2h-benzimidazol-2-one
+CC(=O)N1CC[C@H](SC=C1)c2cccs2	QJA	1-[(7s)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5h)-yl]ethan-1-one
+C[C@H]1[C@H]([C@H]([C@H]2[C@@H](O1)Oc3ccc(cc3S2)CC(=O)NCCCO)O)O	QJB	2-[(2~{s},3~{s},4~{r},4~{a}~{s},10~{a}~{s})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{h}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{n}-(3-oxidanylpropyl)ethanamide
+C(CO)COCCOCCOCCOCCOCCOCCN	QJE	3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
+c1cc(ncc1F)C(=O)N[C@H]2C[C@@H]2[C@]34COC[C@H]3CSC(=N4)N	QJJ	n-{(1s,2s)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide
+c1cc(ncc1F)C(=O)N[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N	QJM	n-{(1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide
+CCCCCCCO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O)O)O)CO)CO	QJN	(1~{r},2~{s},4~{r},5~{s},6~{r})-6-[(2~{s},3~{r},4~{r},5~{s},6~{r})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol
+C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N	QJP	(1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-n-{[(1r,2r)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide
+c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3c4cc(ccc4[nH]c3C(=O)O)F	QJS	5-fluoranyl-3-[[(1~{s},2~{s})-2-phenylcyclopropyl]carbonylamino]-1~{h}-indole-2-carboxylic acid
+CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O	QJT	1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one
+CCCCNC(=O)[C@@H]1C[C@H]1[C@]23COC[C@H]2CSC(=N3)N	QJV	(1r,2r)-2-[(4as,7ar)-2-amino-4a,5-dihydro-4h-furo[3,4-d][1,3]thiazin-7a(7h)-yl]-n-butylcyclopropane-1-carboxamide
+c1ccc(c(c1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O)N(=O)=O	QJW	(2~{s},3~{s})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid
+CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC(C)C	QJY	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+CC(=O)Nc1nc2ccc(cc2s1)c3ccnc(n3)SC	QJZ	n-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide
+CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)Cl)NS(=O)(=O)c4ccc(cc4)F	QK0	n-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
+CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC(C)C	QK1	(3as,4s,7ar)-hexahydro-4h-furo[2,3-b]pyran-4-yl {(2s,3r)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
+Cc1cc2c(c(c1)F)NC(=O)N2C3CCN(CC3)C4CCOCC4	QK2	7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{h}-benzimidazol-2-one
+Cc1c(c2cccnc2n1CC#N)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6s5	QK5	(3-{(3r)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1h-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile
+C[C@@H]1C[C@H]1COC(C)(C)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5	QK7	(4ar,7ar)-7a-[(1r,2r)-2-(2-{[(1r,2r)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
+CCOC(=O)N1CCC[C@@H](CC1)N2CCC(CC2)C(=O)NC3(CCC3)C	QK8	ethyl (4~{s})-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate
+C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5	QKA	(1r,2r)-2-[(4ar,7ar)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4h)-yl]-n-{[(1r,2r)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide
+CCOC(=O)N1CC[C@H](SCC1)c2cccs2	QKD	ethyl (7s)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
+c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(o3)Cl)N	QKE	(2~{s})-1-[(2~{r})-2-azanyl-3-phenyl-propanoyl]-~{n}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
+Cc1c2c(ccn1)c3ccc(cc3n2CCCC(=O)N)OC	QKG	4-(7-methoxy-1-methyl-9h-beta-carbolin-9-yl)butanamide
+COC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)OC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6OC)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OC)OC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)OC)CO)CO)CO)CO)CO)CO)OC)O	QKH	methyl-cyclo-hepta-amylose
+CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)CCC(=O)O	QKJ	3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
+[H]/N=C(\N)/NNC(=O)Nc1c(cc(cc1F)S(=O)(=O)Nc2c(ncs2)C(=O)O)F	QKK	5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
+C[C@@H](c1nc(cs1)c2ccc(cc2)C#N)[C@](Cn3cncn3)(c4cc(ccc4F)F)O	QKM	4-{2-[(2r,3r)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1h-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile
+Cc1cc(cc(c1OC[C@@H](CN2CCN(CC2)C)O)C)C3=CC(=O)c4c(cc(cc4OC)OC)O3	QKP	2-{4-[(2r)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4h-1-benzopyran-4-one
+COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4	QKQ	~{n}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
+c1ccc(cc1)NC(=O)OC[C@H](CN2CCCCC2)OC(=O)Nc3ccccc3	QKT	diperodon (s-enantiomer)
+c1cc(cc(c1)c2cccc(c2)C(=O)O)CO	QKU	3-[3-(hydroxymethyl)phenyl]benzoic acid
+c1cc2c(cc1Br)COC3(O2)CCN(CC3)CO	QKV	(6-bromo-1'h,4h-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol
+c1cc(cnc1)C(=O)OCc2ccc(cc2)Cl	QKW	(4-chlorophenyl)methyl pyridine-3-carboxylate
+CN1C(=O)[C@@](N=C1N)(CCC2CCCCC2)c3ccccc3	QKY	(5r)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4h-imidazol-4-one
+c1cnc(nc1)NC(=O)Cc2ccc(cc2)Cl	QKZ	2-(4-chlorophenyl)-~{n}-pyrimidin-2-yl-ethanamide
+CN1C(=O)[C@](N=C1N)(c2ccc(cc2)OC)C34CC5CC(C3)CC(C5)C4	QL1	(5r)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4h-imidazol-4-one
+CCn1cnc2c1nc(nc2Nc3cc(cc(c3)F)F)C#N	QL2	6-[(3,5-difluorophenyl)amino]-9-ethyl-9h-purine-2-carbonitrile
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCC(=O)O)COc2ccccc2)O	QL4	(4s)-4-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid
+Cc1ccc(c(c1)OC(=O)c2ccncc2)C	QL5	(2,5-dimethylphenyl) pyridine-4-carboxylate
+CC(C)([C@@H](CN1Cc2cc(c(cc2C1=O)N3CCOCC3)NC(=O)c4cnn5c4nccc5)F)O	QL7	n-{2-[(2r)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1h-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCOCCOCCOCCOCCOCC#Cc4ccc(cc4)OCCCc5c(nc(s5)N6CCc7cccc(c7C6)C(=O)Nc8nc9ccccc9s8)C(=O)O)O	QL8	2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{h}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{s})-3,3-dimethyl-1-[(2~{s},4~{r})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid
+c1ccc2c(c1)C(=O)C(=C(C2=O)O)Nc3ccc(cc3)F	QLA	2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione
+CCCCCCCCOCCOCCOCCO	QLB	2-[2-(2-octoxyethoxy)ethoxy]ethanol
+CCOC(=O)[C@H]1CCCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	QLD	ethyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecine-2-carboxylate
+CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCN(C)C)C)C)C	QLE	[(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-bis(oxidanylidene)-1-oxacyclododec-9-en-4-yl] 3-(dimethylamino)propanoate
+[H]/N=C(/CCC(=O)N)\C1=NC(=CC(C)C)C(=O)N1CC(=O)O	QLG	[(4z)-2-[(1z)-4-amino-4-oxobutanimidoyl]-4-(2-methylpropylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+c1cc2c(ccc(c2nc1)C#N)N3C[C@H](C[C@H](C3)N)C(F)(F)F	QLH	5-[(3~{r},5~{s})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
+C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1N)C(=O)O	QLI	(5s,6s)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid
+CCOC(=O)[C@H]1CCCC[C@@H](c2cc(ccn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	QLJ	ethyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-15-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1h-12,8-(metheno)-1,9-benzodiazacyclotetradecine-2-carboxylate
+COC(=O)[C@H]1CCCC[C@@H](c2[nH]c(cn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl	QLM	methyl (2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1h-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate
+C#Cc1ccc(cc1)/C=C/C2=Nc3ccccc3C(=O)N2c4cccc(c4)C(=O)O	QLN	3-[2-[(~{e})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)N)C(=O)O)O	QLP	n~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-l-glutamine
+Cc1cc(cc2c1n[nH]c2)C[C@H](C(=O)N[C@@H](CC3CCNCC3)C(=O)N4CCN(CC4)c5ccncc5)NC(=O)N6CCC7(CC6)c8cccnc8NC(=O)O7	QLQ	~{n}-[(2~{r})-3-(7-methyl-2~{h}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{s})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{h}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
+CC[C@@H](C#Cc1c(nc(nc1N)N)C)c2cc(c(c(c2)OC)OC)OC	QLR	6-methyl-5-[(3r)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine
+COC(=O)Nc1ccc-2c(c1)N[C@H](CCCC[C@@H](c3[nH]c2cn3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)C(F)(F)F	QLS	methyl [(2r,7s)-7-({(2e)-3-[5-chloro-2-(1h-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1h-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate
+CC[Sn](CC)(CC)Br	QLT	triethyltin bromide
+COc1c(cc(cn1)NS(=O)(=O)C)/C=C/C2CCC(CC2)(F)F	QLV	n-{5-[(e)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCc3ccccc3	QLW	n,n-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine
+CCCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC	QLZ	5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine
+c1cc(c(nc1)C(=O)O)CC(=O)O	QM1	3-(carboxymethyl)pyridine-2-carboxylic acid
+c1cc(ccc1c2cc3c(s2)c(ncn3)SCC(=O)O)C4CC4	QM2	2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid
+c1cc2c(ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O)cc1CCC(=O)O	QM4	(2s,3r)-1-[7-(2-carboxyethyl)phenanthrene-2-carbonyl]piperazine-2,3-dicarboxylic acid
+COc1ccc(cc1)NNc2ccc(cc2)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O	QM5	(2~{s},3~{s})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid
+C(CCS)C[C@@H](C(=O)O)N	QM8	6-sulfanyl-l-norleucine
+COc1ccc2c(c1)ccc(c2C=O)O	QMA	2-hydroxy-6-methoxynaphthalene-1-carbaldehyde
+C(C[C@@H](C(=O)O)N)CS	QMB	5-mercapto-norvaline
+C=C(C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	QMD	2-[oxidanyl-[(2~{r},3~{s},4~{s})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxyprop-2-enoic acid
+c1ccc2c(c1)cc([nH]2)[C@H]3CCCCN3	QME	2-[(2~{r})-piperidin-2-yl]-1~{h}-indole
+Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4	QMG	3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-n-cyclopropyl-4-methylbenzamide
+CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O	QMH	(2~{s})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)Br)Cl	QMI	4-bromo-2,6-dichloro-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+CC(=O)NCCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	QMK	~{n}-[2-[1-[(2~{r},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamide
+CN(C)C(=O)CC[C@@H](C(=O)O)N	QMM	n,n-dimethyl-l-glutamine
+CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(N2)CCCC3=O)c4cccc(c4)Oc5[nH]c6ccccc6n5	QMN	ethyl (9s)-9-[3-(1h-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2h-pyrrolo[3,4-b]quinoline-3-carboxylate
+CP(=O)(O)OC1CCCCC1	QMP	cyclohexyl methylphosphonate
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)Cn4cnc5c4ncnc5N	QMQ	1-(4-(4-(4-((6-amino-9h-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium
+c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4	QMR	varenicline
+CS(=O)(=O)Nc1cccc2c1nccc2	QMS	n-(quinolin-8-yl)methanesulfonamide
+c1ccc(cc1)O[C@@H]2CCCN(C2)c3cc(nnc3N)c4ccccc4O	QMT	2-[6-azanyl-5-[(3~{r})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
+c1cc(c(cc1c2c(n(cn2)CCO)c3ccc4ncc(n4n3)C#N)Cl)F	QMV	6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1h-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
+c1ccc(c(c1)c2cc(c(nn2)N)N3CCC(CC3)O)O	QMW	1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
+Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3	QMY	6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1h-imidazol-5-yl]imidazo[1,2-a]pyridine
+COc1cc(cc(c1OC)OC)C(=O)N2CCC[C@@H](C2)c3ccnc4n3ncn4	QMZ	[(3~{s})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
+c1cc(ccc1CN([C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N)C(F)(F)F	QN1	4,4'-[(3s,4s)-pyrrolidine-3,4-diylbis({[4-(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide
+c1ccc(cc1)S(=O)(=O)N(Cc2ccc(cc2)I)[C@H]3CNC[C@@H]3N(Cc4ccc(cc4)I)S(=O)(=O)c5ccccc5	QN2	n,n'-(3s,4s)-pyrrolidine-3,4-diylbis[n-(4-iodobenzyl)benzenesulfonamide]
+c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4Cl)S(=O)(=O)c5ccccc5Cl	QN3	n,n'-(3s,4s)-pyrrolidine-3,4-diylbis(n-benzyl-2-chlorobenzenesulfonamide)
+Cc1ccc(cc1S(=O)(=O)N)NC(=O)CN2C(=O)C(=CC=N2)Cl	QN4	2-(5-chloro-6-oxopyridazin-1(6h)-yl)-n-(4-methyl-3-sulfamoylphenyl)acetamide
+Cc1c(c2ccccc2[nH]1)CC(=O)O	QN5	2-(2-methyl-1~{h}-indol-3-yl)ethanoic acid
+COc1cccc(c1F)c2cccc(c2)[C@@]3(C4=NCC(CN4C(=N3)N)(F)F)c5ccncc5	QN7	(8s)-3,3-difluoro-8-(2'-fluoro-3'-methoxybiphenyl-3-yl)-8-pyridin-4-yl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
+C[C@@H]1C(=O)C2CCN1CC2	QN8	(2~{r})-2-methyl-1-azabicyclo[2.2.2]octan-3-one
+[B-]1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)(O)O	QNA	(1~{a}~{r},7~{b}~{s})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{h}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
+c1ccc(cc1)C(c2ccccc2)(C(=O)O[C@H]3CN4CCC3CC4)O	QNB	(3r)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate
+c1ccc2c(c1)ccc(n2)C(=O)O	QNC	quinoline-2-carboxylic acid
+c1ccc2c(c1)ccc(n2)C(=O)O	QND	quinaldic acid
+C[C@@H]1Cc2c(ccc3c2c[nH]n3)[C@H](N1CC4(CC4)F)c5ccc(cc5OC)NC6CN(C6)CCCF	QNE	~{n}-[4-[(6~{s},8~{r})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine
+CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C	QNG	n-[(1s)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1h-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bs,4ar)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1h-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
+CCCN1CC(C1)Nc2ccc(nc2)[C@@H]3c4ccc5c(c4C[C@H](N3CC(F)(F)F)C)cn[nH]5	QNH	6-[(6~{s},8~{r})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{n}-(1-propylazetidin-3-yl)pyridin-3-amine
+c1[nH]c2c(n1)c(ncn2)N3CCCC4(C3)CCNCC4	QNI	6-(2,9-diazaspiro[5.5]undecan-2-yl)-9h-purine
+C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C	QNJ	(3beta,5beta,14beta,17alpha)-cholestan-3-ol
+C[C@@H]1Cc2c(ccc3c2c[nH]n3)[C@H](N1CC4(CC4)F)c5ccc(cn5)NC6CN(C6)CCCF	QNK	6-[(6~{s},8~{r})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{n}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine
+CC(C)COc1cc(nc2c1cccc2NC(=O)C)C=O	QNL	~{n}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide
+CN1c2ccccc2C(=O)C(=C1O)C(=O)NCC(=O)O	QNM	2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid
+C[C@H]1C(=O)C2CCN1CC2	QNN	(2~{s})-2-methyl-1-azabicyclo[2.2.2]octan-3-one
+CCCCCCCCCc1cc(c2ccccc2[n+]1[O-])O	QNO	2-nonyl-4-hydroxyquinoline n-oxide
+CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC)COP(=O)(O)O	QNP	(2s)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate
+Cc1ccc(c(c1SC[C@@H](C(=O)O)N)O)O	QNQ	4-methylcatechol cysteine
+COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3Cl)NC(=O)c4ccco4	QNS	n-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
+Cc1cc(c(c(c1O)O)C)SC[C@@H](C(=O)O)N	QNT	3,6-dimethylcatechol cysteine
+Cc1ccc(c(c1O)O)SC[C@@H](C(=O)O)N	QNW	3-methylcatechol cysteine
+C[C@H]([C@@H](C(=O)O)N)OC(C[C@@H](C(=O)O)N)(O)O	QNY	o-[(3s)-3-amino-3-carboxy-1,1-dihydroxypropyl]-l-threonine
+c1ccc2c(c1)C(=O)N(C(=N2)/C=C/c3ccc(cc3)C#N)c4cccc(c4)C(=O)O	QNZ	(e)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4h)-yl)benzoic acid
+CS(=O)(=O)NCC#Cc1ccc(cc1)N2[C@@H](C(C2=O)CC[C@@H](c3ccc(cc3)F)O)c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	QO1	4-[(2s,3r)-3-[(3s)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-d-glucopyranosiduronic acid
+Cc1cc(c(c(c1C)SC[C@@H](C(=O)O)N)O)O	QO2	4,5-dimethylcatechol cysteine
+C[C@@H](COCCC(=O)N1CCN(CC1)c2ncc(cn2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F	QO4	5-{[(2s)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2h)-one
+Cc1cc(c(c(c1O)O)SC[C@@H](C(=O)O)N)C	QO5	3,5-dimethylcatechol cysteine
+Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3F)Br)C(=O)NOCCO	QO7	5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-n-(2-hydroxyethoxy)-1-methyl-1h-benzimidazole-6-carboxamide
+Cc1cc(c(c(c1C)O)O)SC[C@@H](C(O)O)N	QO8	3,4-dimethylcatechol cysteine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C	QO9	1-[(5r,6r,8r,9r)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+c1cc(c(cc1I)F)Nc2cnccc2C(=O)NC[C@@H](CO)O	QOA	n-[(2s)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide
+C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCCc2ccccc2)O	QOB	~{n}-[(2~{s},3~{r})-1-[[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide
+CCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCC(C)C)O)O	QOD	(3r)-n-[(2s,3r)-1-(alpha-d-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide
+C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCc2ccccc2)O	QOE	(2~{s},3~{r})-~{n}-[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide
+CC(C)NC(=O)Nc1nnc(s1)S(=O)(=O)N	QOG	5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide
+C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCCCCCCCC(C)C)O	QOH	11-methyl-~{n}-[(2~{s},3~{r})-1-[[(5~{s},8~{s},10~{s})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide
+c1ccc2c(c1)C(=C3CCCC3=[N]2CCCCCCCCCC[N]4=C5C=CC=CC5=C(C6=C4CCC6)N)N	QOJ	4-[10-(9-azanyl-2,3-dihydro-1~{h}-cyclopenta[b]quinolin-4-yl)decyl]-2,3-dihydro-1~{h}-cyclopenta[b]quinolin-9-amine
+CN1c2c(n(cn2)COCCOC)C(=O)N(C1=O)C	QOK	7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione
+c1cc2c(cc(nc2c(c1)N)C=O)OCC(CO)CO	QOL	8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde
+CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NC(=O)C)C5CC5	QOM	trametinib
+C[C@H](c1ncc(s1)C(=O)Nc2cc(c(cn2)Cl)C(F)(F)F)NC(=O)c3c(c(ncn3)N)Cl	QOP	6-amino-5-chloro-n-[(1r)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
+Cc1cc(cc(n1)Cl)CN2CCC[C@@H](C2)c3cc(nc4n3ncn4)C(F)F	QOQ	5-[bis(fluoranyl)methyl]-7-[(3~{s})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
+CC1=CNC(=O)C(=N1)C	QOS	3,5-dimethylpyrazin-2(1h)-one
+Cc1nc2c(cccn2n1)NS(=O)(=O)c3cc(ccc3OC)Cl	QOV	5-chloro-2-methoxy-n-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide
+COc1ccc(cc1S(=O)(=O)Nc2cccn3c2ncn3)Cl	QOY	5-chloro-2-methoxy-n-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide
+c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CC(=O)Nc4ccc(cc4)S(=O)(=O)N	QOZ	2-[4-(diphenylmethyl)piperazin-1-yl]-~{n}-(4-sulfamoylphenyl)ethanamide
+CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SCCOC)c4ccc(cc4)F)OC	QP1	n-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1h-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide
+C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNC(N)(O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O	QP2	(4r,5s)-3-{[(3s,5s)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1s,2r)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylic acid
+COCCCc1[nH]c(c(n1)c2ccc(cc2)F)c3ccnc4c3CC(=N4)c5ccccc5	QP4	4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1h-imidazol-5-yl]-2-phenyl-3h-pyrrolo[2,3-b]pyridine
+c1ccc(cc1)c2cc3c(ccnc3[nH]2)c4c(nc([nH]4)CCCO)c5ccc(cc5)F	QP7	3-[4-(4-fluorophenyl)-5-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)-1h-imidazol-2-yl]propan-1-ol
+CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O	QP8	 tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
+C[C@](C(=O)O)(OP(=O)(O)O)SC[C@@H](C(=O)O)N	QPA	s-[(1s)-1-carboxy-1-(phosphonooxy)ethyl]-l-cysteine
+C/C(=C/c1ccc(cc1)O)/C(=O)OC	QPB	methyl (~{z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate
+CC(C)(C)CNC(=O)Cc1ccc(cc1)Nc2c(cnc(n2)c3ccccc3)C(=O)N	QPC	4-[(4-{2-[(2,2-dimethylpropyl)amino]-2-oxoethyl}phenyl)amino]-2-phenylpyrimidine-5-carboxamide
+c1ccc(cc1)[C@H](C(=O)N)NNC(=O)c2c[nH]c3c2cccc3	QPD	(2r)-2-[2-(1h-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide
+C/C(=C/c1ccccc1)/C(=O)OC	QPE	methyl (~{z})-2-methyl-3-phenyl-prop-2-enoate
+c1ccc(cc1)C[C@@H](C(=O)O)NC=O	QPH	n-formyl-l-phenylalanine
+C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)OP(=O)(O)O	QPJ	2-deoxy-3,5-di-o-phosphono-d-erythro-pentitol
+c1cc(c(c(c1F)O)F)Cl	QPK	3-chloranyl-2,6-bis(fluoranyl)phenol
+CC1(CC(CC(N1[O-])(C)C)N)C	QPM	4-amino-2,2,6,6-tetramethylpiperidin-1-ol
+CCC(=O)N1CCc2c(cnn2c3cccc(c3)F)C1	QPN	1-[1-(3-fluorophenyl)-6,7-dihydro-4~{h}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
+Cc1cc(n[nH]1)Nc2c3ccccc3nc(n2)c4ccccc4	QPP	n-(5-methyl-1h-pyrazol-3-yl)-2-phenylquinazolin-4-amine
+CC(=O)c1cn(c2c1cccc2)C	QPR	1-(1-methylindol-3-yl)ethanone
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO	QPS	beta-acarbose
+C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+]	QPT	carboplatin
+CC1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC[C@@H]([C@H]3O)O)CO)C)O	QPU	1,5-anhydro-4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s,6r)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-d-glucopyranosyl)-d-glucitol
+CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl	QPV	3-chloro-n-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide
+CCCN(C[C@@H]1CCOC1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl	QPW	2-[(3-chlorophenyl)methylamino]-7-methoxy-~{n}-[[(3~{s})-oxolan-3-yl]methyl]-~{n}-propyl-1,3-benzoxazole-5-carboxamide
+c1ccc(cc1)COC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)NCCn4cnc5c4ncnc5N	QPY	benzyl (2s)-2-(4-{[2-(6-amino-9h-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate
+CC1=CC(=O)N(c2c1cc(cc2)S(=O)(=O)NCc3ccccc3)C	QPZ	1,4-dimethyl-2-oxidanylidene-~{n}-(phenylmethyl)quinoline-6-sulfonamide
+c1ccc(cc1)c2c(n(cn2)CC3CCCCC3)c4nc5c(ncnc5s4)N	QQ1	2-[3-(cyclohexylmethyl)-5-phenyl-imidazol-4-yl]-[1,3]thiazolo[4,5-e]pyrimidin-7-amine
+Cc1ccc(c(c1)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O)Cl	QQ2	[(2-chloro-5-methylphenyl){6-[(4-{[(2r)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile
+CCC[C@H](CC(=O)O)N1C(=O)c2c(nc3ccccc3c2C1=O)C	QQ3	(3r)-3-(4-methyl-1,3-dioxo-1,3-dihydro-2h-pyrrolo[3,4-c]quinolin-2-yl)hexanoic acid
+C[C@H](C[C@@H](C[C@H](C[C@@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O	QQ4	hexa vinylpyrrolidone k15
+C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl	QQ5	[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{r},4~{r})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone
+C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O	QQ7	cucurbit[7]uril
+C(CC(=O)N)[C@@H](CNC=O)N	QQ8	(4~{s})-4-azanyl-5-formamido-pentanamide
+CN1CCN(C(=O)C1)c2ccc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(c(n4)N)[N+](=O)[OH-]	QQA	1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one
+c1ccc2c(c1)cccc2C[C@@H](CNC=O)N	QQB	~{n}-[(2~{s})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide
+CC1(c2ccccc2N([C@@H]1c3cccnc3)Cc4ccc(cc4)C(=O)NO)C	QQD	4-{[(2s)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1h-indol-1-yl]methyl}-n-hydroxybenzamide
+C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl	QQE	[2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{s})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
+CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4c1cccc4	QQG	n-hydroxy-4-[(1-methyl-1,2-dihydro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide
+Cc1cccc(c1C)CC2=CC(=O)N3[C@@H](CSC3=C2[NH+](C)C)C(=O)O	QQH	[(3~{r})-3-carboxy-7-[(2,3-dimethylphenyl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
+CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC	QQJ	n-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1h-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
+CC[C@@H]1CO[C@@](CN1C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl)(C)CCO	QQK	[2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{r})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
+CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)CCCO)c4ccc(cc4)F)OC	QQM	n-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1h-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
+C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)nc(o3)NCc4cccc(c4)Cl	QQN	[2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{r},4~{r})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone
+c1ccc(c(c1)C2=NC(=C(C(=O)N2)O)C(=O)NCCn3cnc4c3ncnc4N)C(F)(F)F	QQP	n-[2-(6-amino-9h-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide
+CC(C)n1c2ccccc2nc1S(=O)(=O)O	QQQ	1-(1-methylethyl)-1h-benzimidazole-2-sulfonic acid
+C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](CF)c4cccc(c4)Cl	QQT	[2-[[(1~{s})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{s},5~{s})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
+[H]/N=C/CNC(=O)[C@@H]1C[C@H](C[C@H]1C(=O)N2CCOCC2)S(=O)(=O)c3ccccc3	QQV	(1r,2r,4r)-n-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide
+C[C@@H]1CN([C@@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl	QQW	[2-[[(1~{r})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{r},5~{r})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N	QQX	[(3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=O)(O4)S)N	QQY	[(3ar,4r,6r,6ar)-4-(6-aminopurin-9-yl)-2-oxidanylidene-2-sulfanyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
+B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)OP(=O)(O)O	QQZ	phosphonooxy-[[[6-(1~{h}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid
+[B-](CCC[C@H]1[C@@H]2C[NH2+]C[C@@H]2C[C@]1(C(=O)O)[NH3+])(O)(O)O	QR1	{3-[(3ar,4s,5s,6ar)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-)
+c1cc(c(cc1C2=NNC(=O)O2)C(F)(F)F)Cl	QR2	5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{h}-1,3,4-oxadiazol-2-one
+[B-](CCC[C@H]1C[C@@H]2[C@H]([C@]1(C(=O)O)[NH3+])CC[NH2+]2)(O)(O)O	QR4	{3-[(3ar,4r,5s,6ar)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-)
+C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C	QR8	(3~{r},4~{s},5~{r},6~{s},7~{s},9~{s},11~{r},12~{s},13~{r},14~{r})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione
+[B-](CCC[C@H]1C[C@@]2(CCCN2)C[C@]1(C(=O)O)N)(O)(O)O	QRA	3-[(5~{s},7~{s},8~{s})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+c1cc(ccc1CN2CCCc3c2ccc(c3)C(=O)N)C(=O)NO	QRB	1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{h}-quinoline-6-carboxamide
+c1cc(c(cc1NC(=S)NCCCCCC(=O)O)C(=O)O)C2c3ccc(cc3Oc4c2ccc(c4)O)O	QRE	2-[3,6-bis(oxidanyl)-9~{h}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid
+CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)O	QRG	n-acetyl-l-alpha-aspartyl-l-methionine
+c1ccc(cc1)P(CCCCCCNC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)(c4ccccc4)c5ccccc5	QRH	(2~{e},4~{e})-5-(1,3-benzodioxol-5-yl)-~{n}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide
+[B-](CCC[C@H]1C[C@@]2(CC[NH2+]C2)C[C@]1(C(=O)O)[NH3+])(O)(O)O	QRJ	{3-[(5r,7s,8s)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-)
+CCCCCC(=O)SC	QRL	s-methyl hexanethioate
+C1CC(=CC(=C1)N)C(=O)O	QRM	3-aminocyclohexa-1,3-diene-1-carboxylic acid
+COc1ccc(cc1O)CCc2nc3ccccc3s2	QRN	5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol
+c1cc(c(cc1CCC2=C(NC(=O)NC2=O)C(=O)O)F)F	QRO	5-[2-(3,4-difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3	QRP	(3s,8as)-3-(1h-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
+COc1cc(cc(c1OC)OC)CCc2nc3ccccc3s2	QRQ	2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N	QRT	[(2~{r},3~{s},4~{r},5~{r})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+c1ccc(cc1)N(CC[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F)CCO	QRV	2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1h-purin-7-ium
+Cn1c(nnc1c2ccncc2)CNc3cccc(c3)C(=O)NCc4ccccc4C(F)(F)F	QRW	3-({[4-methyl-5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)-n-[2-(trifluoromethyl)benzyl]benzamide
+CCCn1c(nnc1c2ccncn2)CNc3cccc(c3)C(=O)NCc4c(cccc4F)F	QRX	n-(2,6-difluorobenzyl)-3-({[4-propyl-5-(pyrimidin-4-yl)-4h-1,2,4-triazol-3-yl]methyl}amino)benzamide
+c1ccc(cc1)[C@H](C(=O)c2c[nH]c3c2cccc3)NCCc4ccc(cc4)S(=O)(=O)N	QRY	4-(2-{[(1r)-2-(1h-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=S)N	QRZ	[(2~{r},3~{s},4~{r},5~{r})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+C[C@H](CN[C@H](c1ccccc1)C(=O)Nc2ccc(cn2)c3cnn(c3)C)c4ccc(cc4)C#N	QS1	(2r)-2-{[(2s)-2-(4-cyanophenyl)propyl]amino}-n-[5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
+Cc1ccc(c(c1C)C)/C=C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)CCC(C)(C)OC)\C)/C	QS2	9-cis-okenone
+Cc1c(c2ccccc2[nH]1)C(=O)CN3CCCC[C@H]3C	QS4	1-(2-methyl-1h-indol-3-yl)-2-[(2r)-2-methylpiperidin-1-yl]ethan-1-one
+Cc1ccc(o1)C(=O)Nc2ccc(cc2)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC	QS5	n-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)-5-methylfuran-2-carboxamide
+CN1c2c(cnc(n2)N[C@@H]3COC[C@@H]3NC(=O)C=C)C=C(C1=O)c4c(c(cc(c4Cl)OC)OC)Cl	QS7	n-[(3r,4s)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide
+C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)F	QS8	[[(3~{r},6~{r})-6-fluoranyl-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
+CNC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cccc4)C	QSA	~{n}-methyl-2-[2-[(~{e})-(1-methylquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-yl]ethanamide
+c1cc(c(cc1C(=O)O)Br)O	QSB	3 bromo 4 hydroxybenzoic acid
+C[C@H](c1ccccc1)N	QSC	(1r)-1-phenylethanamine
+Cn1cc(cn1)c2ccc(nc2)NC(=O)[C@@H](c3ccccc3)NCCc4ccc(cc4)C#N	QSD	(2r)-2-{[2-(4-cyanophenyl)ethyl]amino}-n-[5-(1-methyl-1h-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
+Cc1ccc(c(c1C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)CCC(C)(C)OC)/C)/C	QSE	all-trans okenone
+c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O	QSG	(2r,3r)-n-[(1-{(3s,3ar,6s,6ar)-6-[4-({[(2r,3r)-2,3-dihydroxy-4-oxo-4-{[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]amino}butanoyl]amino}methyl)-1h-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1h-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-n'-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]butanediamide (non-preferred name)
+c1c(cc(c(c1Br)O)Br)C(=O)O	QSH	3,5-bis(bromanyl)-4-oxidanyl-benzoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)N)N)O)O)N	QSI	5'-o-[n-(l-glutaminyl)-sulfamoyl]adenosine
+Cc1cc(cc(c1OC)/C=C/c2ccc(cc2)Cl)N3C[C@H]([C@H](C3=O)O)O	QSJ	(3r,4r)-1-{3-[(e)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)O)O)OC(F)(F)F	QSK	[(2~{r},3~{r},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methoxyphosphinic acid
+CC(C)c1c2cc(ccc2[nH]c1c3ccc(c(c3)OC)OC)C4CCNCC4	QSM	2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1h-indole
+CS(=O)(=O)NN1C(=O)c2cc(c(cc2NC1=O)[N+](=O)[O-])n3ccnc3	QSN	n-[6-(1h-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2h)-yl]methanesulfonamide
+COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O	QSO	5,7-dihydroxy-3-(4-methoxyphenyl)-4h-chromen-4-one
+Cc1ncc(c(n1)N)CN2[C@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](CCC(=O)O)(O)P(=O)(O)O	QSP	(4~{s})-4-[(2~{r})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{h}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)O)O)OC(F)(F)F)N	QSQ	[(2~{r},3~{r},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphite
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)O)O	QSR	(9z,21r,24r,30r,33r,44z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-dip hosphatripentaconta-9,44-diene-21,33-diyl (9z,9'z)di-octadec-9-enoate
+CN1CCN(CC1)c2ccccc2N	QSS	2-(4-methylpiperazin-1-yl)aniline
+CCOC(=O)[C@@]1(N[C@H](C(S1)(C)C)C(=O)O)CS	QST	(2~{s},4~{s})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
+[H]/N=C(\N/N=C(/c1cc2c3c(sc2cc1)ccc(c3)/C(=N/N/C(=N/[H])/NC)/C)\C)/NC	QSV	(2e,2'e)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1e)eth-1-yl-1-ylidene]}bis(n-methylhydrazine-1-carboximidamide)
+c1cc2c(cc1F)S(=O)(=O)CC[C@@H]2C3CC3	QSW	(4~{r})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{h}-thiochromene 1,1-dioxide
+C[NH+](CCCN1C=Nc2c3cc(ccc3[nH]c2C1=O)OC)C4CCCCC4	QSY	n-[3-(8-methoxy-4-oxo-4,5-dihydro-3h-pyrimido[5,4-b]indol-3-yl)propyl]-n-methylcyclohexanaminium
+c1cc2c(cc1F)S(=O)(=O)CC[C@H]2C3CC3	QSZ	(4~{s})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{h}-thiochromene 1,1-dioxide
+CCOC(=O)[C@@]1(N[C@@H](C(S1)(C)C)C(=O)O)CS	QT2	(2~{s},4~{r})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
+B1(n2c(cc(c2Cc3n1c(cc3)CNC(=O)C)C)C)(F)F	QT4	~{n}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide
+Cc1nccn1c2cccc(c2)CN	QT5	[3-(2-methylimidazol-1-yl)phenyl]methanamine
+CC(C)(C)CN([C@@H]1CCS(=O)(=O)C1)C(=O)CCl	QT7	2-chloro-n-(2,2-dimethylpropyl)-n-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide
+CCC(=O)CC(=O)O	QT8	3-oxidanylidenepentanoic acid
+c1ccc(cc1)S(=O)(=O)c2cccc(c2)S(=O)(=O)N	QTA	3-(phenylsulfonyl)benzene-1-sulfonamide
+C[C@@H]1CCCC(C1/C=C/C(=C/C=C/C(=O)C)/C)(C)C	QTB	(3~{e},5~{e},7~{e})-6-methyl-8-[(6~{r})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one
+c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)N	QTD	4-phenoxybenzene-1-sulfonamide
+CC1CCCCC1	QTE	methylcyclohexane
+CCCNS(=O)(=O)c1ccc(cc1C)F	QTG	4-fluoro-2-methyl-n-propylbenzene-1-sulfonamide
+c1ccc(cc1)c2ccc(cc2)C[n+]3ccc(cc3)N4CCCC4	QTH	1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine
+c1cc(ccc1Oc2ccc(c(c2)Cl)F)S(=O)(=O)N	QTJ	4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
+c1ccc(cc1)C[n+]2ccc(cc2)N3CCCC3	QTK	1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium
+c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F	QTM	3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
+Cc1ccnc2c1ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	QTP	3-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-7-methyl-3h-imidazo[4,5-b]pyridine
+C1[C@@H]([C@H](CS1(=O)=O)O)O	QTQ	(3~{r},4~{r})-1,1-bis(oxidanylidene)thiolane-3,4-diol
+O	QTR	oxygen of quinone
+c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)N	QTS	1-[(4-chlorophenyl)methyl]-1h-benzimidazol-2-amine
+Cc1cccc(n1)CN(C)[C@H]2CCCC[C@@H]2N(Cc3cccc(n3)C)CC(=O)O	QTT	2-[[(1~{s},2~{s})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid
+c1cc(sc1)CCC(=O)O	QTU	3-(thiophen-2-yl)propanoic acid
+Cc1nc(cn1Cc2ccc(cc2)F)[N+](=O)[O-]	QTV	1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1h-imidazole
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)c3ccccc3)O)O)N	QTW	[(2~{r},3~{s},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[3-[4-[(~{e})-phenylcarbonyliminomethyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)CCC(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)CNC(=O)CCC(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O	QTY	n-[[1-[(3s,3ar,6s,6ar)-6-[4-[[[4-[[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]methyl]-1,2,3-triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3-triazol-4-yl]methyl]-n'-[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]butanediamide
+CC[C@@H]1[C@]([C@@H]2[C@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)(CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)O	QTZ	mycinamicin ii
+CC[C@@H]1[C@H]([C@@H]2[C@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC	QU2	mycinamicin i
+c1cc(c(cc1C(=C2C=CC(=O)C(=C2)C(=O)O)c3ccc(c(c3)C(=O)O)O)C(=O)O)O	QU4	3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid)
+COC1C=CC(C=C1)S	QU5	4-methoxycyclohexa-2,5-diene-1-thione
+CCCCCCC1=C([C@]2(CC[C@@H]([C@H]2C1)O)C(=C)c3ccccc3)c4ccccc4	QU7	(1s,3as,6as)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
+COc1ccc(cc1)NC=O	QU8	~{n}-(4-methoxyphenyl)methanamide
+C[C@@H](c1cc(nc2c1C=CC[C@@H]2O)C(=O)O)O	QUA	8-hydroxy-4-(1-hydroxyethyl)quinoline-2-carboxylic acid
+C=CCO/N=C/c1ccnc2c1cccc2	QUB	(e)-n-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine
+c1ccc(cc1)Oc2ccc3c(c2)c[n+](c(n3)N)[C@@H](CNC(=O)C4CCCCC4)C5CCCCC5	QUD	2-amino-3-{(1r)-1-cyclohexyl-2-[(cyclohexylcarbonyl)amino]ethyl}-6-phenoxyquinazolin-3-ium
+c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O	QUE	3,5,7,3',4'-pentahydroxyflavone
+c1c(c2c([nH]1)NC(=NC2=O)N)CN[C@H]3C=C[C@@H]([C@H]3O)O	QUG	2-amino-5-({[(1s,4s,5s)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O	QUH	[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{s},5~{s},6~{r})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{r})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate
+c1ccc2c(c1)ncc(n2)C(=O)O	QUI	2-carboxyquinoxaline
+CC(C)COc1cc(nc2c1cccc2N)C(=O)O	QUJ	8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid
+c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN	QUK	8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid
+CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4	QUL	n,n-diethyl-n'-(10h-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine
+C[C@@H](CCCN(CCCl)CCCl)/N=C\1/c2ccc(cc2Nc3c1cc(cc3)OC)Cl	QUM	quinacrine mustard
+CCN(CC)CCC[C@@H](C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl	QUN	quinacrine
+c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@@H]4CC[C@H]([C@H]4O)O	QUO	2-amino-7-deaza-(2'',3''-dihydroxy-cyclopentylamino)-guanosine-5'-monophosphate
+Cc1ccc(cc1n2cc(cc2C(=O)N)c3c4cccn4ncn3)Cl	QUP	1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1h-pyrrole-2-carboxamide
+C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1	QUS	(s)-2-amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CNC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	QUV	n-[(2s,3s,4r)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-d-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
+c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCCCCO)N	QUW	4-azanyl-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	QUX	n-[(3s,4s,5r)-4,5-dihydroxy-1-[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nonadecan-3-yl]hexacosanamide
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)NCc2ccccc2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O	QUY	(2s,3r,4s,5r,6s)-6-[(2s,3s,4r)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-n-(phenylmethyl)oxane-2-carboxamide
+c1ccc2c(c1)cncn2	QUZ	quinazoline
+c1ccc2c(c1)nc(o2)NC3=NC4(CCCC4)C5=C(N3)CCCC5=O	QV2	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)CO	QV4	4,6-dideoxy-4-{[(1s,4r,5r,6s)-4-{[alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-glucopyranose
+CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl)N4CCNCC4	QV5	5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{h}-indole-2-carboxamide
+Cc1cc(c(cc1Nc2ccc(c3c2C(=O)c4ccccc4C3=O)Nc5c(cc(c(c5C)S(=O)(=O)O)C)C)S(=O)(=O)O)C	QV6	3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid
+c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)O)/N=N/c3c4ccc(cc4cc(c3O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	QV7	3-hydroxy-4-[(e)-{2-sulfo-4-[(e)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid
+c1ccc(cc1)Nc2cc(cc3c2C(=O)c4ccccc4C3=O)S(=O)(=O)O	QV8	9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid
+C([C@@H](C(=O)O)N)S[C@@H]([C@@H](C(=O)O)O)C(=O)O	QVA	(2s,3r)-2-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid
+CC(C)Oc1ccccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl	QVB	5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{h}-indole-2-carboxamide
+c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(=O)O	QVE	8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid
+c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)N)Cl	QVK	5-chloranyl-3-phenyl-1~{h}-indole-2-carboxamide
+CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C	QVM	(2e,4e,6e,8e,10e)-11-[(4r)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal
+c1ccc(cc1)CCC[C@@H](CC(=O)C(=O)O)C(=O)O	QVN	3-(3-phenylpropyl)-2-oxoglutarate
+C1C[C@H](C[C@H]1C(=O)C(=O)O)C(=O)O	QVQ	3-(carboxycarbonyl)cyclopentane-1-carboxylic acid
+C/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	QVR	(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[(~{e})-prop-1-enyl]oxolane-3,4-diol
+c1cc2c(cc(nc2c(c1)N)C(=O)O)O	QVS	8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid
+CC[C@@H](CC(=O)C(=O)O)C(=O)O	QVT	4-ethyl-2-oxoglutarate
+CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCn2cnc3c2ncnc3N)NC(=O)OCc4ccccc4	QVV	benzyl [2-(4-{[2-(6-amino-9h-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate
+CCC[C@@H](CC(=O)O)C(=O)C(=O)O	QVW	3-propyl-2-oxoglutarate
+c1ccc2c(c1)-c3cncn3[C@H]2[C@@H]4CCOC[C@H]4O	QVY	1,5-anhydro-2,3-dideoxy-3-[(5s)-5h-imidazo[5,1-a]isoindol-5-yl]-d-threo-pentitol
+CC1(c2ccccc2-c3c1cc(cc3)C[C@@H](CC(=O)O)C(=O)C(=O)O)C	QVZ	3-((9,9-dimethyl-9h-fluoren-2-yl)methyl)-2-oxoglutarate
+CCC[C@@H](CC(=O)C(=O)O)C(=O)O	QW2	(4~{s})-2-oxidanylidene-4-propyl-pentanedioic acid
+CC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN(c4c3cccc4)C	QW4	2-[(e)-(1-methylquinolin-4(1h)-ylidene)methyl]-3-(2-oxopropyl)-1,3-benzothiazol-3-ium
+COc1cccc(c1)c2c3cc(ccc3[nH]c2C(=O)N)Cl	QW5	5-chloranyl-3-(3-methoxyphenyl)-1~{h}-indole-2-carboxamide
+C[C@H](c1c(ccc(c1Cl)OC)Cl)n2cnc3c2cc(cc3)c4ccccc4[C@H]5CCCCN5	QW7	1-[(1r)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2r)-piperidin-2-yl]phenyl}-1h-benzimidazole
+Cc1cccc2c1c(c[nH]2)c3[nH]c(cn3)C(=O)c4cc(c(c(c4)OC)OC)OC	QW9	[2-(4-methyl-1h-indol-3-yl)-1h-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
+c1ccc2c(c1)c(c[nH]2)Cn3ccnc3	QWB	3-(imidazol-1-ylmethyl)-1~{h}-indole
+CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N3CCCC[C@@H]3CCC(=O)c4nccs4	QWE	amino{[(4s)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2r)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]pip eridin-1-yl}pentyl]amino}methaniminium
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CSC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O	QWG	(2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-3,4,5-triol (non-preferred name)
+CCC(=O)Nc1cc(nc(c1Br)C)C	QWH	~{n}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide
+c1ccc(cc1)[C@@H]2CCNC3(C2)CCN(CC3)c4c5c([nH]cn5)ncn4	QWI	6-(4-phenyl-1,9-diazaspiro[5.5]undecan-9-yl)-9h-purine
+C#CCSC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O	QWJ	6-s-(prop-2-yn-1-yl)-6-thio-beta-d-glucopyranosyl 1-thio-beta-d-galactopyranoside
+CCC(=O)Nc1ncc2c(n1)CCN(C2)Cc3ccccc3	QWK	~{n}-[6-(phenylmethyl)-7,8-dihydro-5~{h}-pyrido[4,3-d]pyrimidin-2-yl]propanamide
+C[C@H](C1CC1)Nc2nc(nc(n2)N[C@H](C)C3CC3)c4cccc(n4)C(F)(F)F	QWM	n~2~,n~4~-bis[(1r)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
+c1c2c(nc(c1Br)Cl)nn[nH]2	QWN	6-bromanyl-5-chloranyl-1~{h}-[1,2,3]triazolo[4,5-b]pyridine
+Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O[C@H]5C[C@H]([C@H]([C@H](O5)C)O)O[C@H]6C[C@]([C@@H]([C@H](O6)C)O)(C)O)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O	QWP	mithramycin
+Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)CN4CCCC4	QWQ	4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
+CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N	QWS	4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1h-pyrazole-3-carboxamide
+CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCCCOc4ccc(cc4)c5[nH]nnn5)OC)C	QWT	1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1h-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one
+CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CCc2ccccc2)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O	QWV	n-[(2s,3r)-3-hydroxy-1-{[6-o-(3-phenylpropanoyl)-alpha-d-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
+c12c(c(c(nc1nn[nH]2)Br)Br)Br	QWW	5,6,7-tris(bromanyl)-1~{h}-[1,2,3]triazolo[4,5-b]pyridine
+c1ccc(cc1)c2nnc(s2)NC(=O)c3c(c4cc5c(nc4s3)CCCCC5)N	QWY	3-amino-n-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5h-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
+CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCc4ccc(cc4)OC)OC)C	QWZ	1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one
+c1ccc2c(c1)ncc(n2)C(=O)O	QX	quinoxaline-2-carboxylic acid
+CN1CCC(CC1)Nc2c(c(n3c(n2)c(cn3)c4ccc(c(c4)OC)OC)N)c5ccccc5	QX1	3-(3,4-dimethoxyphenyl)-n~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine
+c1[nH]c2c(c(c(nc2n1)Br)Br)Br	QX2	5,6,7-tris(bromanyl)-1~{h}-imidazo[4,5-b]pyridine
+Cc1ccc2c(c1)C(=CC(=O)O2)O	QX4	4-hydroxy-6-methyl-2h-1-benzopyran-2-one
+Cc1ccc(cc1C(=O)NC[C@@H](C(=O)O)NC(=O)C)S(=O)(=O)F	QX7	n-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-l-alanine
+c1cc(cc(c1)N2CCC2=O)CN3CCN(CC3)Cc4ccc(cc4)Br	QX8	1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one
+C1CCS(=O)(=O)C1	QXB	sulfolane
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)c4cccc(c4)O)O	QXD	5'-deoxy-5'-({[(2r)-2-{[2-({n-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine
+C1CS(=O)(=O)C[C@@H]1O	QXE	3-hydroxythietane-1,1-dioxide
+c1cc(c(c(c1)O)N)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	QXG	5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine
+CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br)CN4CCN(CC4)Cc5ccc(cc5)Br	QXH	~{n}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3cccc4c3cccc4	QXK	2-ethyl-2-methanoyl-~{n}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
+[H]/N=C/1\C(=CC=C[C@]12OO[Fe+2]O2)C(=O)[O-]	QXM	(5r,6z)-5-(hydroperoxy-kappao)-5-(hydroxy-kappao)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)C	QXN	2-ethyl-2-methanoyl-~{n}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
+c1ccc(c(c1)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	QXP	5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCc3cc4c(cc3C2)OCO4	QXQ	~{n}-[3-(7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide
+CCC1(C(=O)N(C1=O)c2cccc(c2)CN3CCc4cc5c(cc4C3)OCO5)CC	QXT	1-[3-(7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione
+CSCC[C@H](C(=O)N)N	QXV	d-methioninamide
+c1c2c(nc(c1Br)Br)nn[nH]2	QXW	 5,6-dibromo-1h-triazolo[4,5-b]pyridine
+CCN1CCN(CC1)C(=O)c2ccc(cc2)Cn3c(cc(n3)C)C	QXY	{4-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone
+c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O	QY1	(2r)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid
+CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)N)CN(C)c3ccccc3)c4ccccc4	QY4	n-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide
+CCC(=O)N(CCC(=O)Nc1ccnc(c1Br)n2ccnc2C)c3ccnc(c3Br)n4ccnc4C	QY5	~{n}-[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-3-[[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-propanoyl-amino]propanamide
+CC(C)c1ccc2c(c1)c(c(n2Cc3ccc(cc3)Cl)CC(C)(C)C(=O)O)SC(C)(C)C	QY7	3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1h-indol-2-yl]-2,2-dimethylpropanoic acid
+c1c[nH]c2c1C(=O)NC(=N2)N	QY8	2-amino-3h,4h,7h-pyrrolo[2,3-d]pyrimidin-4-one
+CC(=O)Oc1ccccc1	QY9	phenyl acetate
+c1cc(ccc1NC(=O)CN2C=CC(=O)NC2=O)S(=O)(=O)N	QYA	2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-n-(4-sulfamoylphenyl)acetamide
+c1ccc(cc1)c2c3c(n[nH]2)N=CNC3=O	QYB	3-phenyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one
+c1ccc(cc1)[C@H]2CN(CCS2)C(=O)Nc3ccc(cc3)[N+](=O)[O-]	QYD	n-(4-nitrophenyl)-2-phenyl-thiomorpholine-4-carboxamide
+c1csc2c1c(ncc2Cl)N	QYE	7-chlorothieno[3,2-c]pyridin-4-amine
+c1cc(ccc1/C=C/2\C(=O)N(C(=N2)[C@H](CCC(=O)N)N)CC(=O)O)O	QYG	{(4e)-2-[(1s)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1h-imidazol-1-yl}acetic acid
+COc1ccc(cc1)c2cc(nc(n2)N)N	QYH	6-(4-methoxyphenyl)pyrimidine-2,4-diamine
+Cn1c2c(c(c1Br)C#N)c(ncn2)N	QYK	4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+C[C@]12C[C@@H]([C@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)c5ccc(cc5)OCCN(C)C	QYM	(9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol
+C[C@@H](c1c(cnc2n1nc(c2)Cl)Nc3ccc(cc3)[C@@H](C(F)(F)F)N(C)C(=O)C4CCS(=O)(=O)CC4)OC	QYQ	~{n}-[(1~{s})-1-[4-[[2-chloranyl-7-[(1~{s})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{n}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(CC2)(F)F	QYS	(1s,2s)-2-[(n-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-l-leucyl)amino]-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
+c1cc2c(cc1C=C3C(=O)NC(=O)S3)nccn2	QYT	(5e)-5-(quinoxalin-6-ylmethylene)-1,3-thiazolidine-2,4-dione
+CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C	QYV	4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-n-ethyl-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide
+Cc1nc(c2c(c([nH]c2n1)c3cccnc3)C#N)N	QYW	4-azanyl-2-methyl-6-pyridin-3-yl-7~{h}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cccc4C)C)S(=O)(=O)CC)C	QYY	4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-n-ethyl-6-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridine-2-carboxamide
+Cc1ccc(o1)/C=C/2\c3ccccc3NC2=O	QYZ	(3~{e})-3-[(5-methylfuran-2-yl)methylidene]-1~{h}-indol-2-one
+CCCCCCc1cccc(c1)Nc2cccc(c2C(=O)O)F	QZ1	2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid
+Cn1cc(cn1)c2cc([nH]n2)C(=O)O	QZ2	3-(1-methylpyrazol-4-yl)-1~{h}-pyrazole-5-carboxylic acid
+CCc1cc2c(c(n1)C)C(=C(C(=O)N2)C#N)c3ccc(cc3)NS(=O)(=O)C	QZ3	n-[4-(3-cyano-7-ethyl-5-methyl-2-oxo-1h-1,6-naphthyridin-4-yl)phenyl]methanesulfonamide
+C1CCC(CC1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OC3CCC(CC3)(F)F	QZ4	4,4-difluorocyclohexyl [(2s)-3-cyclohexyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OC2CCC(CC2)(F)F	QZ7	n~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+Cc1c2c(n[nH]1)NC(=O)C=C2c3ccccc3	QZ8	3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
+C[C@@H]([C@H](CCl)O)N	QZA	(2r,3s)-3-amino-1-chlorobutan-2-ol
+CCC1(COCOC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	QZD	n~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+c1cc(c2c(c1)C3=C(CC2)C(=C(C(=O)N3)C#N)c4ccc(cc4)C(=O)O)c5c[nH]nc5	QZE	4-[3-cyano-2-oxo-7-(1h-pyrazol-4-yl)-5,6-dihydro-1h-benzo[h]quinolin-4-yl]benzoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OC2CCC(CC2)C(C)C	QZG	n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-l-leucinamide
+CC(C(C1N=C(/C(=C/CCCO)/S1)C(=O)O)C(=O)O)O	QZH	(5~{z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{h}-1,3-thiazole-4-carboxylic acid
+CCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	QZJ	n~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O	QZK	{[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid)
+CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccc(c(c2)OC)O)NC(=O)OCc3ccccc3	QZM	2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{n}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide
+CCCCCCCCCC1=Nc2cc(ccc2C(=O)N1N)Cl	QZN	3-amino-7-chloro-2-nonylquinazolin-4(3h)-one
+CC(C)Cc1ccc(cc1)C(=O)O	QZP	4-(2-methylpropyl)benzoic acid
+CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@H]5[C@@]4(C=C[C@@H](C5(C)C)O)C)C)C(=O)O	QZQ	betulinic acid
+c1cc(cc(c1)OCCCn2cc(nn2)CCOc3cc(nc4c3cccc4N)C=O)CNC(=O)c5ccc(cc5)S(=O)(=O)N	QZS	~{n}-[[3-[3-[4-[2-(8-azanyl-2-methanoyl-quinolin-4-yl)oxyethyl]-1,2,3-triazol-1-yl]propoxy]phenyl]methyl]-4-sulfamoyl-benzamide
+C1CCS(=O)C1	QZT	thiolane 1-oxide
+Cc1ccc2c(c1)c(c(o2)C#Cc3ccc(cc3)C(=O)NCCOCCOCCNC(=O)c4ccc(cc4)C#Cc5c(c6cc(ccc6o5)C)CC(=O)O)CC(=O)O	QZV	2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid
+Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)OCc4ccsc4	QZW	4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{h}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
+CCN(Cc1ccccc1)C(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)Oc4ccccc4	QZY	3-{[benzyl(ethyl)carbamoyl]amino}-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid
+COc1cccc(c1)C2=CC(=C(C(=O)N2)C#N)c3ccc(cc3)C(=O)O	QZZ	4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1h-pyridin-4-yl]benzoic acid
+c1ccc(cc1)[C@H](CO)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	R	2'-deoxy-n6-(r)styrene oxide adenosine monophosphate
+c1ccc(cc1)C[C@@H]([C@H](CN[C@@H](Cc2ccccc2)C(=O)O)O)N	R00	n-[(2s,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-phenylalanine
+C[N@@](CC=C)Cc1ccc(cc1)c2ccc(cc2)C(=O)c3ccc(cc3)Br	R01	(4'-{[allyl(methyl)amino]methyl}-1,1'-biphenyl-4-yl)(4-bromophenyl)methanone
+C=CC[N@@](C[C@H]1C[C@@H]1COc2ccc(cc2)C(=O)c3ccc(cc3)Br)C4CC4	R02	{4-[((1s,2s)-2-{[allyl(cyclopropyl)amino]methyl}cyclopropyl)methoxy]phenyl}(4-bromophenyl)methanone
+Cn1c2cc(ccc2c(n1)c3ccc(cc3)Br)OCCCCCC[N@](C)CC=C	R03	allyl-{6-[3-(4-bromo-phenyl)-1-methyl-1h-indazol-6-yl]oxy}hexyl)-n-methylamine
+Cn1c2cc(c(cc2c(n1)c3ccc(cc3)Br)F)OC\C=C\C[N@](C)CC=C	R04	(2e)-n-allyl-4-{[3-(4-bromophenyl)-5-fluoro-1-methyl-1h-indazol-6-yl]oxy}-n-methyl-2-buten-1-amine
+Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)NCc4c(cccc4F)F	R05	5-(2-azanylpyridin-4-yl)-~{n}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{h}-pyrrolo[2,3-d]pyrimidin-4-amine
+C[C@H](C(F)(F)F)N1CN(N2C=CC(=O)C(=C2C1=O)O)[C@H]3c4ccccc4CSc5c3cccc5	R07	1-[(11s)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2r)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1h-pyrido[2,1-f][1,2,4]triazine-4,6-dione
+Cc1cc(ccc1c2nc(c(n2C)c3ccc4cc(ccc4c3)OC)c5ccncc5)S(=O)(=O)C	R09	4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1h-imidazol-4-yl}pyridine
+CCCCC1=C(N[C@H](S1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O	R0B	(2~{r})-2-[(2~{s},3~{r})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid
+c1ccc2c(c1)OC[C@@H](O2)C(=O)N3CCC4(CC3)C=Nc5c4cc(cc5)Cl	R0D	(5-chloro-1'h-spiro[indole-3,4'-piperidin]-1'-yl)[(2r)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone
+CC(C)C[C@@H]1C=C[C@H]2CCN[C@@H]2C(=O)N1CC(=O)O	R0E	prom-17
+c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3)C#N)N4CCC[C@H](C4)N	R0G	4-({(1r,2r)-2-[(3r)-3-aminopiperidin-1-yl]-2,3-dihydro-1h-inden-1-yl}oxy)benzonitrile
+c1cc(nc2c1n(c(n2)CN3c4cnccc4N(C3=O)C5CC5)CCCC(F)(F)F)Cl	R0J	3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1h-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one
+CC/C=C/C=C/C(=O)O	R0M	(2e,4e)-hepta-2,4-dienoic acid
+C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)[S@](C3CC3)(N)O)C(F)(F)F)O	R0N	roniciclib
+CS(=O)(=O)CCCn1c2ccncc2cc1CN3c4cnccc4N(C3=O)C5CC5	R0P	1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1h-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one
+COc1ccc(cc1OC)N2c3ccncc3N(C2=O)Cc4cc5cc(ccc5n4CCCC#N)Cl	R0S	4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3h-imidazo[4,5-c]pyridin-3-yl]methyl}-1h-indol-1-yl)butanenitrile
+COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N	R0Y	(2e)-1-[(1s)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1h)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one
+COc1cccc2c1Nc3c(cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC)C2=O	R0Z	elacridar
+C([C@H]([C@H]([C@H](C(=O)O)O)O)O)OP(=O)(O)O	R10	5-o-phosphono-d-ribonic acid
+[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)Cn4c(nc5c4cccc5)C)\N	R11	4-{[1-methyl-5-(2-methyl-benzoimidazol-1-ylmethyl)-1h-benzoimidazol-2-ylmethyl]-amino}-benzamidine
+Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)O	R12	(2e,4e,6e,8e)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
+C\C(=C/C(=O)O)\C=C\C=C(/C)\c1ccc2c(c1)C(CCC2(C)C)(C)C	R13	3-methyl-7-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl) -octa-2,4,6-trienoic acid
+CCN(CC)CCC(=O)Nc1cccc(c1)c2cn(nn2)c3ccc4cc5ccc(cc5nc4c3)n6cc(nn6)c7cccc(c7)NC(=O)CCN(CC)CC	R14	n,n'-[acridine-3,6-diylbis(1h-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl	R15	n,n'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide)
+CCCCCCCCCCCCCCCC	R16	hexadecane
+C[N@@](CC=C)C\C=C\COc1ccc2c(c1)occ2c3ccc(cc3)Br	R17	allyl-{4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl}-methyl-amine
+C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O	R18	(17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one
+C[N@@](CCCCCCOc1ccc2c(c1)occ2c3ccc(cc3)Br)CC=C	R19	allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-hexyl-}-methyl-amin
+CC1(C=C(C([N+]1=O)(C)C)CSSC[C@@H](C(=O)O)N)C	R1A	3-{[(2,2,5,5-tetramethyl-1-oxo-2,5-dihydro-1h-pyrrolium-3-yl)methyl]disulfanyl}-d-alanine
+CC1=C(C(N(C1(C)C)[O])(C)C)CSS(=O)(=O)C	R1B	s-[(1-oxyl-2,2,4,5,5-pentamethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate
+c1ccc2c(c1)ccc-3c2C4=N[Rh]56(N=C4c7c3cccc7)([n+]8ccccc8-c9[n+]5cccc9)[n+]1ccccc1-c1[n+]6cccc1	R1C	bis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~n,n']rhodium(4+)
+COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3C(F)(F)F)O	R1D	5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide
+C1[C@@H]([C@H](CC1(F)F)O)O	R1E	trans-4,4-difluorocyclopentane-1,2-diol
+CC1(C(=C(C(N1[O])(C)C)c2ccccc2)CSS(=O)(=O)C)C	R1F	s-[(1-oxyl-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate
+COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)NC(=O)c4cc(c(cc4NC(=O)c5cc6ccccc6nc5)OC)OC	R1H	tariquidar
+CC12C3([Rh]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C	R1N	2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O	R1P	1-o-phosphono-alpha-d-ribofuranose
+CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC)O	R1Q	vincristine
+c1ccc2c(c1)c(cs2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl	R1S	n-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide
+Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O	R1T	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate
+CC(=CCC/C(=C/CN[C@@H](CCC(=O)O)C(=O)O)/C)C	R1V	n-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-l-glutamic acid
+CCC(=O)Nc1cc(ccc1C)c2c3c(ccnc3[nH]c2c4ccc(cc4)N5CCN(CC5)C)Cl	R1W	~{n}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{h}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide
+C1[C@@H]([C@@H]([C@H](O1)CO)O)O	R1X	1,4-anhydro-d-ribitol
+c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=[N]7C=CC=C1)[N]1=CC=CC=C1C1=CC=CC=[N]81)C=CC=C36	R1Z	delta-[ru(bpy)2dppz]2+
+Cc1cccc(c1)c2c[nH]nn2	R20	4-(3-methylphenyl)-1h-1,2,3-triazole
+c1cc(ccc1CCNC(=O)Cc2ccc(c(c2)Cl)O)S(=O)(=O)N	R21	2-(3-chloro-4-hydroxyphenyl)-n-[2-(4-sulfamoylphenyl)ethyl]acetamide
+Cc1cc(cc(c1)OC2=C(C(=O)NC(=C2CSCc3ccco3)C)I)C	R22	4-(3,5-dimethylphenoxy)-5-(furan-2-ylmethylsulfanylmethyl)-3-iodo-6-methylpyridin-2(1h)-one
+CN(C1CCC(CC1)c2ccc(cc2)CN3CCCCC3)C(=O)Oc4ccc(cc4)Cl	R23	methyl-[4-(4-piperidine-1-ylmethyl-phenyl)-cyclohexyl]-carbaminic acid-(4-chlorophenyl)-ester
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)[N+](=O)[O-]	R24	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{3-[(6-nitroquinolin-4-yl)amino]phenyl}urea
+c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C#N	R26	3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](C/C(=N/NC(=O)C)/[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC	R27	n'-[(3s,4r,5s,8r,9e,12s,14s,15r,16s,18r,19r,26as)-5,19-dihydroxy-3-{(1e)-1-[(1r,3r,4r)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7h-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide
+CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2ncc(c(n2)c3cn(c4c3cccc4)C)C(=O)OC(C)C	R28	propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
+[B-]1(c2cc(ccc2CO1)NC(=O)NCc3ccccc3)(O)O	R29	1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCN4CCN(CC4)C(=O)c5cccc(c5)C#Cc6c(c7cc(ccc7o6)C)CC(=O)O)CC(=O)O	R2A	(2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid
+C1=C([C@@H]([C@H](O1)CO)O)O	R2B	1,4-anhydro-d-erythro-pent-1-enitol
+COc1ccc(c(c1)C(=O)O)Nc2ccc(cc2)Oc3ccccc3	R2C	5-methoxy-2-[(4-phenoxyphenyl)amino]benzoic acid
+c1ccc2c(c1)nc3n2c(c(s3)CC(=O)O)c4ccc(cc4)Cl	R2D	[3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
+CCC(=O)N1CCC(CC1)Oc2cc3c(cc2OC)ncnc3Nc4ccc(c(c4F)Cl)Cl	R2E	1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCn5cc(nn5)CO[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)N(CC)CC	R2F	2-[2-[4-[[(2r,3s,4r,5s,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+C1=CO[C@H]([C@@H]1O)CO	R2G	2,5-anhydro-4-deoxy-d-erythro-pent-4-enitol
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)F)O)O	R2H	3-fluoro dicyclotyrosine
+CNCc1c2ccccc2n(n1)C	R2J	n-methyl-1-(1-methyl-1h-indazol-3-yl)methanamine
+C(C(=O)O[Na])C(=O)O[Na]	R2K	(3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium
+Cn1c2ccc(cc2cc1C(=O)O)Br	R2N	5-bromo-1-methyl-1h-indole-2-carboxylic acid
+C(c1c(nsn1)O)[C@H](C(=O)O)N	R2P	(2r)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid
+c1ccc(cc1)c2cn3cc(ccc3n2)c4cccc(c4)C#N	R2Q	3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile
+N[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)N	R2R	ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
+c1ccc2c(c1)cc(s2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl	R2S	n-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-sulfonamide
+[C@@H]([C@@H](C(=O)O)N)([C@@H](C(=O)N)O)O	R2T	beta,gamma-dihydroxyglutamine
+c1cc(cc(c1)O)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	R2V	5'-deoxy-5'-{[(3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}adenosine
+c1ccc(cc1)OCCCNC(=S)Nc2ccc(cc2)S(=O)(=O)N	R2W	4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide
+CC(C)C[C@H](C(=O)N1CC(C[C@H]1C(=O)NCc2ccc3c(c2)ccnc3N)(F)F)NC4CCCCC4	R2Y	n-cyclohexyl-d-leucyl-n-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-l-prolinamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]\1CCC/C1=C/[C@H](COP(=O)(O)O)NC=O	R2Z	n~2~-({(1r,2z)-2-[(2r)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-l-argininamide
+CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3	R30	n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide
+CC(C)[C@H](C[C@@H]([C@H](CN1CCN(C(=O)C1)c2ccccc2OCCCOC)N)O)C(=O)NCC(C)(C)C(=O)N	R31	(2s,4s,5s)-5-amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide
+CC(C)[C@H](C[C@@H]([C@H](CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NCC(C)(C)C(=O)N	R32	(2s,4s,5s)-5-amino-n-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide
+[H]/N=C(\N)/NCCC[C@@H](C(=O)C)NC(=O)CN	R33	n-[(3s)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide
+Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc5c(c4)ccn5C)Cl	R34	5-{[6-chloro-5-(1-methyl-1h-indol-5-yl)-1h-benzimidazol-2-yl]oxy}-n-hydroxy-2-methylbenzamide
+CC(C)(C)[C@@H](CC(=O)O)C(=O)O	R35	(2r)-2-tert-butylbutanedioic acid
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](CC(C)C)NC(=O)c3cccc(c3)N)O)C	R36	4-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide
+Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](CC(C)C)NC(=O)c3ccc(cc3)N)O)C	R37	3-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide
+C[C@H](CS)C(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)O	R38	(2~{r})-3-(1~{h}-indol-3-yl)-2-[[(2~{s})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)OCCN4CCOCC4	R39	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
+[H]/N=C(/N)\Nc1c2cc(ccc2c(cn1)Cl)S(=O)(=O)N[C@H](C(C)C)C(=O)N3CCOCC3	R3A	1-carbamimidamido-4-chloro-n-[(2r)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC	R3B	(2s,9s,12r)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-24,27-dimethoxy-11,18,22-trioxa-4-azatetracyclo[21.2.2.113,17.04,9]octacosa-1(25),13(28),14,16,23,26-hexaene-3,10-dione
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC/C=C\COCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC	R3E	(2s,9s,12r,20z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)N(CC)CC	R3F	2-[2-[2-[4-[[(2r,3s,4r,5s,6s)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC	R3G	2-[2-(2-{4-[(alpha-d-glucopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+O[Ti](O)(O)O	R3H	tetrakis(oxidanyl)titanium
+CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)NCCc2ccnc(c2)OC)NC(=O)OCc3ccccc3	R3J	benzyl [2-(5-hydroxy-4-{[2-(2-methoxypyridin-4-yl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate
+CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C2c4ccccc4C(=O)OCCOCCOCCn5cc(nn5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)N(CC)CC	R3M	2-[2-(2-{4-[(alpha-d-mannopyranosyloxy)methyl]-1h-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9h-xanthen-9-yl]benzoate
+C[C@H]([C@H]([C@@H]1N=C([C@H](S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O	R3N	(2r,5s)-2-[(1s,2r)-1-carboxy-2-hydroxy-propyl]-5-[(2r)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid
+CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl	R3P	2,6-dichloro-n-[1-(propan-2-yl)piperidin-4-yl]benzamide
+c1cc(ccc1/C=C/c2cc(cc(c2)OS(=O)(=O)O)O)O	R3S	resveratrol-3-o-sulfate
+C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O	R3V	(5r,6s)-5-(4-{2-[(3s)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
+C(C(=O)O)Cl	R3W	chloroacetic acid
+c1cc(ccc1/C=C/c2cc(cc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O	R3X	resveratrol-3-o-glucuronide
+Cc1cc(cc(c1O[C@@H]2CNC[C@@H]2F)c3ccnc4c3sc(c4)CN5C(=O)CCC5=O)Cl	R3Y	1-{[7-(5-chloro-2-{[(3r,4s)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1h-pyrrole-2,5-dione
+c1ccc2c(c1)OC[C@@H](O2)CN3c4ccsc4C(=O)N(C3=O)O	R3Z	1-[(2s)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1h,3h)-dione
+[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1	R40	n~2~-[(benzyloxy)carbonyl]-l-arginine
+c1cnc(cc1c2cc(cc3c2O[C@H](C3)C(=O)N4CCNCC4)Cl)N	R41	[(2r)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
+c1cnc2cc(sc2c1c3cc(cc4c3O[C@H](C4)C(=O)N5CCNCC5)Cl)CN6C(=O)CCC6=O	R44	1-({7-[(2r)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1h-pyrrole-2,5-dione
+c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	R45	n-{(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-alpha-glutamyl-l-al pha-glutamine
+C[N@@](CCCCCCOc1ccc(cc1)c2c3ccc(cc3sn2)Br)CC=C	R46	n-{6-[4-(6-bromo-1,2-benzisothiazol-3-yl)phenoxy]hexyl}-n-methyl-2-propen-1-amine
+c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	R47	n-[(2s)-3-[(s)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-l-alpha-glutamyl-l-alpha-glutamine
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N	R48	1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4ccnc5c4cc(cc5)N	R49	1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea
+CN(C)c1cccc(c1)OCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24	R4A	bis[1h,1'h-2,2'-bipyridinato(2-)-kappa~2~n~1~,n~1'~]{3-[4-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~n~1~,n~10~)butoxy]-n,n-dimethylanilinato(2-)}ruthenium
+C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)c2ccc(cc2)c3cccc(c3)Cl)CP(=O)(c4ccc(cc4)Br)O	R4B	n-[(2s)-3-[(r)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-l-a lanyl-l-alaninamide
+C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)c2ccccc2)CP(=O)(c3ccc(cc3)Br)O	R4C	n-{(2s)-3-[(r)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-l-alanyl-l-alaninamid e
+C[C@H](Cc1ccccc1)C(=O)N2CCC(CC2)(CN3C=Nc4ccccc4C3=O)O	R4D	3-({4-hydroxy-1-[(2r)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3h)-one
+CCCCCC1=Cc2c(cccc2N)C(=O)N1	R4E	5-amino-3-pentylisoquinolin-1(2h)-one
+c1cc(ccc1/C=C/c2cc(cc(c2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O	R4G	resveratrol-4'-o-glucuronide
+CC1(C(NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCc4ccc(cc4)c5[nH]nnn5)OC)C	R4H	2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one
+c1cnc2cc(sc2c1c3cc(cc4c3O[C@H](C4)C(=O)N5CCNCC5)Cl)[C@@](CO)(CCl)O	R4J	[(2r)-5-chloro-7-{2-[(2s)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
+c1ccc2c(c1)[C@@](C(=O)N2)([C@@H]([C@@H](C(=O)O)N)O)O	R4K	(2s,3r)-2-azanyl-3-hydroxy-3-[(3s)-3-hydroxy-2-oxo-1h-indol-3-yl]propanoic acid
+CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCCC7	R4L	11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+C[C@@H]1CC/C(=C\C(=C/CC/C(=C/C(=O)O)/C)\C)/c2c1cccc2	R4M	(2e,6z,8e)-3,7-dimethyl-8-[(4r)-4-methyl-3,4-dihydronaphthalen-1(2h)-ylidene]octa-2,6-dienoic acid
+c1ccc2c(c1)OC[C@@H](O2)CNC(=O)c3ccc4c(c3)N(C(=O)CS4)Cc5cccc(c5)Cl	R4N	4-[(3-chlorophenyl)methyl]-n-[[(3s)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide
+Cc1ccccc1c2ccc(cc2)c3cc(c4c(c3)nnn4C)C(=O)O	R4P	1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1h-benzotriazole-7-carboxylic acid
+C[C@H](C(=O)N1CCC[C@H](C1)C(=O)O)Oc2ccc3c(c2)OC(=O)C=C3c4ccc(cc4Cl)F	R4Q	(3~{r})-1-[(2~{r})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
+c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)C5CC5)F	R4S	n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)S)O[C@H]([C@@H]5F)n6cnc7c6ncnc7[NH3+])S)F)[NH3+]	R4T	9-[(1~{r},3~{r},6~{r},8~{r},9~{r},10~{r},12~{r},15~{r},17~{r},18~{r})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine
+C[C@@H]1[C@H]2[C@@]1(CN(C2)c3c(cnc(n3)Nc4cnn(c4)C)F)NC(=O)[C@@H]5CC5(F)F	R4V	(1s)-2,2-difluoro-n-[(1s,5r,6r)-3-{5-fluoro-2-[(1-methyl-1h-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
+CCS(=O)(=O)C	R4W	1-methylsulfonylethane
+c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@H]5C[C@@H]5C#N)F	R4Y	(1s,2s)-2-cyano-n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
+CCc1cc2c(c(c1)C(=O)O)C=CC2=O	R4Z	6-ethyl-1-oxidanylidene-indene-4-carboxylic acid
+C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O	R51	5-o-phosphono-d-ribose
+C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O	R52	5-o-phosphono-d-ribose
+C[C@H]1CCCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O	R54	(5r,6s)-5-(4-{2-[(2s)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
+CC1(CCN(CC1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C	R55	n-[4-({4-[5-(4,4-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide
+c1ccc(cc1)CS(=O)(=O)N[C@@H]2CC[C@H]3N(C2=O)[C@@H](CS3)C(=O)NCCCNC(=N)N	R56	5-oxo-6-phenylmethanesulfonylamino-hexahydro-thiazolo[3,2-a]pyridine-3-carboxylic acid (3-guanidino-propyl)-amide
+COc1ccc(cc1F)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O	R57	3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+CCOc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O	R58	3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+C[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O	R59	(2~{s})-3-(1~{h}-indol-3-yl)-2-[[(2~{s})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid
+CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R5A	ruthenium wire, 5 carbon linker
+CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R5B	ruthenium wire wc5
+c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@@H]5C[C@H]5C#N)F	R5D	(1r,2r)-2-cyano-n-[(1s,5r)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1h-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
+c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO	R5G	n-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1h-indole-6-carboxamide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N=CNC2=O	R5I	inosine diphosphate ribose
+[O][W]1234O[Ni]56O[W]78(O1)(O2[Si]91O2%10[W]%11%12(O5)(O[W]5%13(O6)(O96[W]9(O7)(O5)(O[W]57(O8)(O11[W]8(O3)(O5)(O[W]2(O4)(O%11)(O[W]%102(O%12)(O[W]6(O%13)(O9)(O[W]1(O8)(O7)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	R5N	ni-substituted keggin silicotungstate
+C(C(C(C(C=O)O)O)O)OP(=O)(O)O	R5P	ribose-5-phosphate
+[O][W]1234O[Co]56O[W]78(O1)(O2[Si]91O2%10[W]%11%12(O5)(O[W]5%13(O6)(O96[W]9(O7)(O5)(O[W]57(O8)(O11[W]8(O3)(O5)(O[W]2(O4)(O%11)(O[W]%102(O%12)(O[W]6(O%13)(O9)(O[W]1(O8)(O7)(O2)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	R5Q	co-substituted keggin silicotungstate
+c1cc(ccc1C2CCNCC2)Nc3nc(c4c(n3)NCC4)c5cnn(c5)CCC#N	R5S	3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)n2cccn2)C(=O)NO	R5T	tert-butyl {(1s)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}carbamate
+CC(C)(C)C(=O)N[C@H](c1ccc(cc1)n2cccn2)C(=O)NO	R5V	n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide
+Cc1nnc2n1cccc2NC(=O)CCC3(NN3)CCC#C	R5W	3-(3-(but-3-yn-1-yl)-3h-diazirin-3-yl)-n-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
+c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO	R5X	3-amino-n-{(1r)-2-(hydroxyamino)-2-oxo-1-[4-(1h-pyrazol-1-yl)phenyl]ethyl}benzamide
+C=CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C5CCNCC5	R5Y	4-[1-(but-3-en-1-yl)-1h-pyrazol-4-yl]-n-[4-(piperidin-4-yl)phenyl]-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+CC1(C(NN(C1=O)C2CCCCCC2)c3ccc(c(c3)O/C=C/c4ccccc4)OC)C	R5Z	1-cycloheptyl-3-[4-methoxy-3-(2-phenylethoxy)phenyl]-4,4-dimethyl-4,5-dihydro-1h-pyrazol-5-one
+Cc1cnc(nc1Nc2ccc(c(c2)N3CCCS3(=O)=O)F)Nc4cc(c(c(c4)F)C5CCN(CC5)C)F	R61	2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione
+CC1(CCC(c2c1ncc(n2)C#Cc3ccc(cc3)C(=O)O)(C)C)C	R62	4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid
+Cc1c2c(cccc2OCCCNCc3cccnc3)oc1C(=O)c4nccn4C	R64	(1-methyl-1h-imidazol-2-yl)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-methanone
+CS(=O)(=O)CC(=O)C(=O)O	R67	3-(methylsulfonyl)-2-oxopropanoic acid
+CC1(CCCN[C@H]1c2ccc(c(c2F)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C	R68	n-{4-[(4-{3-[(2r)-3,3-dimethylpiperidin-2-yl]-2-fluoro-6-hydroxybenzoyl}benzoyl)amino]azepan-3-yl}isonicotinamide
+CN(C)c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O	R69	n-[4-({4-[5-(dimethylamino)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide
+CN(C)c1cccc(c1)OCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R6A	ruthenium wire, 6 carbon linker
+CC(C)N1CCC(c2c1ccc(c2)c3ccc(cc3)/C=C/C(=O)O)(C)C	R6B	(~{e})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid
+CC[C@H](CO)Nc1nc2c(c(n1)OCc3ccccc3)ncn2C(C)C	R6C	(2r)-2-{[6-(benzyloxy)-9-isopropyl-9h-purin-2-yl]amino}butan-1-ol
+c1cc(ccc1Nc2c3nccn3cc(n2)c4cncc(n4)N)N5CCN(CC5)C6COC6	R6D	6-(6-aminopyrazin-2-yl)-n-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine
+CCCCCC[C@](CC)(C(=O)O)N	R6E	(2~{r})-2-azanyl-2-ethyl-octanoic acid
+CCNc1cc2c(cc1C)C(=C3C=C([C@H](C=C3O2)NCC)C)c4ccc(cc4C(=O)O)C(=O)NCCCCCCO	R6G	rhodamine 6g
+CCOc1cn(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)c5ccc(cc5C)F	R6H	~{n}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide
+Cn1cc(cn1)c2cc(c(nc2)N)C(=O)N[C@H]3CCC[C@@H]3OCc4ccc(cc4)c5ccc(cc5)CN6CCN(CC6)C	R6K	2-azanyl-~{n}-[(1~{s},2~{s})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3ccc(c(c3)F)C4CCN(CC4)C	R6M	n-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide
+CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C	R6N	4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
+c1cc(ccc1C2CCNCC2)Nc3nc(c4cc[nH]c4n3)c5cnn(c5)[C@@H](CC#N)C6CCCC6	R6P	(3s)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+c1ccc2c(c1)C3(CCN(CC3)CCc4ccc(cc4)C(F)(F)F)OC(=O)N2	R6Q	1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{h}-3,1-benzoxazine-4,4'-piperidine]-2-one
+Cc1cnc(nc1Nc2ccc3c(c2)N(CC3)S(=O)(=O)C(C)(C)C)Nc4ccc(c(c4)F)C5CCN(CC5)C	R6S	n~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1h-indol-6-yl]-n~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine
+c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O	R6T	9-oxo-9h-fluorene-4-carboxamide
+c1cc(ccc1C2CCNCC2)Nc3nc(c4cc[nH]c4n3)c5cnn(c5)[C@H](CC#N)C6CCCC6	R6V	(3r)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+c1ccc2c(c1)c(c([nH]2)CNCCCCCCNCc3c(c4ccccc4[nH]3)[C@@H]5c6cc(ccc6C(=O)N5)O)[C@@H]7c8cc(ccc8C(=O)N7)O	R6W	(3~{s})-5-oxidanyl-3-[2-[[6-[[3-[(1~{s})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{h}-indol-2-yl]methylamino]hexylamino]methyl]-1~{h}-indol-3-yl]-2,3-dihydroisoindol-1-one
+c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4	R6Z	3-(1h-tetrazol-5-yl)-n-[3-(1h-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
+COc1ccccc1C2=C(C(=O)NC2=O)Nc3ccc(cc3)C(=O)c4ccccc4	R70	3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione
+C[N@@](CCCCCCOc1ccc(c(c1)F)C(=O)c2ccc(cc2)Br)CC=C	R71	[4-({6-[allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone
+CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C	R72	4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+c1cc2c(cc1CC(=O)N[C@@H](CS)C(=O)NCc3ccncc3)OCO2	R74	n~2~-[(2h-1,3-benzodioxol-5-yl)acetyl]-n-[(pyridin-4-yl)methyl]-l-cysteinamide
+CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br	R75	[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
+CN(C(=O)C[C@@H](CCCCc1ccccc1)CP(=O)(O)O)O	R77	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-6-phenylhexyl]phosphonic acid
+CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C	R78	4-{[(7r)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-n-(1-methylpiperidin-4-yl)benzamide
+C[N@@](CCCCCCOc1ccc2c(c1)snc2c3ccc(cc3)Br)CC=C	R79	n-(6-{[3-(4-bromophenyl)-1,2-benzisothiazol-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine
+CC1(C(=C(C(N1[O])(C)C)Br)CSS(=O)(=O)C)C	R7A	s-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)methyl] methanesulfonothioate
+c1cn2c(n1)C(=CNC2=O)C3CCCCC3	R7B	8-cyclohexyl-6~{h}-imidazo[1,2-c]pyrimidin-5-one
+c1ccnc(c1)CNC(=O)[C@H](CS)NC(=O)[C@@H](c2ccc(cc2)C(F)(F)F)O	R7D	n~2~-{(2r)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-n-[(pyridin-2-yl)methyl]-l-cysteinamide
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)c4cc(c(cc4C3=O)O)O)C=O	R7G	1-[(2s)-2-{[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6 -dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1h-pyrazole-3-carboxylic acid
+CCOCCn1cc(nn1)CSC[C@H]([C@H]([C@H]2[C@@H]([C@H](CC(O2)C(=O)O)O)NC(=O)C)O)O	R7H	(4~{s},5~{r},6~{r})-5-acetamido-6-[(1~{r},2~{s})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=CNC2=O	R7I	inosine diphosphate ribose
+c1cc(cc(c1)F)c2ccc3c(c2)c(co3)CC(=O)O	R7J	[5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid
+c1cc(c(cc1F)F)CNC(=O)C2=C(c3c(ccnc3N(C2=O)O)CO)O	R7K	~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1,4-bis(oxidanyl)-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
+COc1ccc2c(c1)O[C@](CC2=O)(C(C(F)(F)F)(F)F)O	R7M	(2r)-2-hydroxy-7-methoxy-2-(pentafluoroethyl)-2,3-dihydro-4h-1-benzopyran-4-one
+c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2=O)O)CCS(=O)(=O)CCN4CCOCC4)N	R7N	4-azanyl-~{n}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
+Cc1ccc-2c(c1)NC(=O)Nc3c2nc(nc3)Nc4ccc(cc4OC)N5C[C@H](N[C@H](C5)C)C	R7P	2-({4-[(3r,5s)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6h-pyrimido[5,4-d][1,3]benzodiazepin-6-one
+Cc1ccc(cc1)C(=O)C(C)C	R7Q	2-methyl-1-(4-methylphenyl)propan-1-one
+CC(C)([C@@H](CNC(=O)c1cnc(cc1NC2CC2)Nc3ccc4c(c3)scn4)F)O	R7S	6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-n-[(2r)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
+c1cc(sc1)Cc2ccc(cc2)C(=O)O	R7T	4-[(thiophen-2-yl)methyl]benzoic acid
+CN(C)c1cccc(c1)OCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R7U	ruthenium wire, 7 carbon linker
+C[C@H]1C[C@@H](CC[C@H]1C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)C(=O)O	R7V	(1r,3s,4r)-4-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid
+CC(=O)N[C@@H]1C[C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)CN)O	R7Y	(1s,2s,3r,4s,6r)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-d-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-d-glucopyranoside
+CCC[C@H]([C@H](c1cccc(c1C)F)O)NC(=O)c2cccc3c2CC(=O)N3	R7Z	~{n}-[(1~{s},2~{r})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide
+Cc1c(cccc1NC(=O)c2ccc(cn2)CNCCO)c3cccc(c3C)NC(=O)c4ccc(cn4)CNCCO	R81	n,n'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide)
+C[C@@H]1Cc2ccccc2N1S(=O)(=O)c3cc(c(cc3OC)OC)NC(=O)C	R82	n-(2,4-dimethoxy-5-{[(2r)-2-methyl-2,3-dihydro-1h-indol-1-yl]sulfonyl}phenyl)acetamide
+CC(=O)Nc1cc(c(cc1OC)OC)S(=O)(=O)NCc2ccccc2N3CCCCC3	R83	n-{2,4-dimethoxy-5-[(2-piperidin-1-ylbenzyl)sulfamoyl]phenyl}acetamide
+COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)NCc2ccccc2N3CCC(CC3)COC(=O)CCC(=O)O)OC	R84	4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid
+Cn1cc(cn1)c2cc(c(cc2N3CCC(CC3)N(C)C)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl	R85	5-chloranyl-~{n}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{n}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
+Cc1cc(nc(n1)n2ccnc2)N3CCN([C@@H](C3)CC(=O)NCCc4ccc(cc4)OC)C(=O)C(C)C	R86	2-{(2r)-4-[2-(1h-imidazol-1-yl)-6-methylpyrimidin-4-yl]-1-isobutyrylpiperazin-2-yl}-n-[2-(4-methoxyphenyl)ethyl]acetamide
+C[N@@](C\C=C\COc1ccc(cc1)C(=O)c2ccc(cc2)Br)C3CC3	R88	(4-bromophenyl)[4-({(2e)-4-[cyclopropyl(methyl)amino]but-2-enyl}oxy)phenyl]methanone
+c1cc(c(nc1)N)CO	R8A	(2-aminopyridin-3-yl)methanol
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2ccc3ccc(cc3n2)C(=O)O)O	R8B	methyl 3-o-((7-carboxy) quinolin-2-yl)-methyl)-beta-d-galactopyranoside
+C[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F	R8C	2,2,2-trifluoro-n-[(1r,2s)-1-{[1-(4-fluorophenyl)-1h-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide
+c1cc2c(n[nH]c2nc1)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl	R8D	3-chloro-5-[2-chloro-5-(1h-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile
+c1cc(c(cc1OCc2c3ccc(nc3[nH]n2)N)Oc4cc(cc(c4)Cl)C#N)Cl	R8E	3-{5-[(6-amino-1h-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile
+CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCN(CC6)C)NCCCN7CCN(CC7)C)CCCN8CCN(CC8)C	R8G	2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
+c1ccc(cc1)C[C@H]([C@@H](C(=O)NCc2ccccn2)O)NC(=O)[C@H]3CCC(=O)N3Cc4ccccc4	R8H	(2~{r})-5-oxidanylidene-~{n}-[(2~{r},3~{s})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide
+c1cc(ncc1C(=O)O)N2C(=O)C(=CN2)n3ccnn3	R8J	6-(5-oxo-4-(1h-1,2,3-triazol-1-yl)-2,5-dihydro-1h-pyrazol-1-yl)nicotinic acid
+CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCO)F)F	R8N	2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{n}-methyl-benzenesulfonamide
+C[C@@H](c1ccc(cc1)[N+](=O)[O-])O	R8P	(1s)-1-(4-nitrophenyl)ethan-1-ol
+CCCSc1c(c(c(c(c1F)F)S(=O)(=O)NC)F)F	R8Q	2,3,5,6-tetrakis(fluoranyl)-~{n}-methyl-4-propylsulfanyl-benzenesulfonamide
+COc1ccnc(n1)NN	R8S	2-hydrazinyl-4-methoxypyrimidine
+CC(=O)N[C@H]1[C@@H](CC(C[C@@H]1O)C(=O)O)[C@@H]([C@@H](CO)O)O	R8T	(3~{s},4~{s},5~{r})-4-acetamido-3-oxidanyl-5-[(1~{s},2~{r})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid
+CN1[C@H](c2ccccc2C1=O)O	R8V	(3s)-3-hydroxy-2-methyl-2,3-dihydro-1h-isoindol-1-one
+CC(C)c1cccc2c1[nH]c(c2c3ccc(cc3)Cn4cncn4)C(=O)O	R8W	7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{h}-indole-2-carboxylic acid
+CCN(CCC(=O)O)C(=O)c1cccs1	R8Y	n-ethyl-n-(thiophene-2-carbonyl)-beta-alanine
+CC(C)CC(=O)c1ccc(c(c1)O[C@@H]2CCOC2)OC(F)F	R91	1-[4-(difluoromethoxy)-3-{[(3r)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one
+C[C@@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl	R92	4-chloranyl-~{n}-[(1~{s})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide
+Cc1ccc(cc1C(=O)NO)Oc2[nH]c3cc(c(cc3n2)c4ccc(cc4)c5ccccc5O)Cl	R93	5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1h-benzimidazol-2-yl]oxy}-n-hydroxy-2-methylbenzamide
+c1cc(ccc1C(=O)c2cc(ccc2O)N3CCCCC3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5	R94	n-(4-{[4-(2-hydroxy-5-piperidin-1-ylbenzoyl)benzoyl]amino}azepan-3-yl)isonicotinamide
+CC1(CCCN(C1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C	R96	n-[4-({4-[5-(3,3-dimethylpiperidin-1-yl)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicotinamide
+Cc1csc(n1)Cc2ccccn2	R97	2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine
+CC(C)CCNC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)O)O	R99	n-[3-carboxy-2-hydroxy-propionyl]-d-homophenylalanyl-amino-2-methylbutane
+CN(C)c1cccc(c1)OCCCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2	R9A	ruthenium wire, 9 carbon linker
+c1ccc(cc1)C[C@@H](C(=O)NCC2=CC(=O)Nc3c2cc(cc3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O	R9B	n-[(1s)-1-benzyl-2-[(6-chloro-2-oxo-1h-quinolin-4-yl)methylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carbo
+COc1cccc(c1)C(=O)N2CCCC2	R9G	(3-methoxyphenyl)(pyrrolidin-1-yl)methanone
+Cc1ccc(cc1)NC(C)(C)C(=O)O	R9J	2-methyl-n-(4-methylphenyl)-l-alanine
+Cc1cccc2c1[nH]c(c2c3ccccc3Cl)C(=O)O	R9K	3-(2-chlorophenyl)-7-methyl-1~{h}-indole-2-carboxylic acid
+c1csc(n1)CCC(=O)O	R9M	3-(1,3-thiazol-2-yl)propanoic acid
+c1cc(c(cc1NCC2CCNCC2)Cl)C3=Nc4c5cc(ccc5oc4C(=O)N3)Br	R9P	8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3h)-one
+CN1C[C@H](Oc2ccccc2C1=O)c3cccc(c3)C#N	R9Q	3-[(2~{r})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile
+Cc1ccccc1CC(=O)N	R9S	2-(2-methylphenyl)acetamide
+COc1ccc(cc1OC)C[C@@H]2c3cc(c(cc3CCN2)OC)OC	R9T	(1~{r})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
+c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(C3)O	R9V	(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
+C1CCc2c(c(c3c(n2)CCC3)N)C1	R9W	2,3,5,6,7,8-hexahydro-1~{h}-cyclopenta[b]quinolin-9-amine
+CN1CCCc2c1ccc(c2)CN	R9Y	1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
+CCN(c1cccc(c1)CCC(=O)O)c2ccc3ccccc3n2	RA0	3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid
+c1cc(ccc1NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])S(=O)(=O)N	RA1	2-chloranyl-4-nitro-~{n}-(4-sulfamoylphenyl)benzamide
+CCC(CC)Nc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O	RA2	1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5'-di(hydroxymethyl)pyrrolidin-2-one
+[H]/N=C(\N)/NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)[N+](=O)[O-]	RA4	n-(4-nitrobenzoyl)-l-leucyl-n-(4-{[amino(imino)methyl]amino}butyl)-l-prolinamide
+COc1cccc2c1OC(=O)C(=C2)C(=O)Nc3ccc(cc3)S(=O)(=O)N	RA5	8-methoxy-2-oxidanylidene-~{n}-(4-sulfamoylphenyl)chromene-3-carboxamide
+c1c(sc(n1)N2CCOCC2)CO	RA7	[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
+[H]/N=C(/N)\NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NS(=O)(=O)Cc2ccccc2	RA8	n-(benzylsulfonyl)-l-leucyl-n-(4-{[amino(imino)methyl]amino}butyl)-l-prolinamide
+c1cc(ccc1NC(=O)CSc2nnc(s2)N)S(=O)(=O)N	RA9	2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{n}-(4-sulfamoylphenyl)ethanamide
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O	RAA	alpha-rhamnose
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N	RAB	2-(6-amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O	RAC	4-(2-dimethylcarbamoyl-phenylcarbamoyloxymethyl)-benzoic acid
+CCO[C@H]\1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C1\C)C)C)OC)O)\C)C)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C	RAD	c49-methyl rapamycin
+C[C@H]1[C@@H]([C@H](C[C@@H](O1)O)O)O	RAE	alpha-l-olivopyranose
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O	RAF	raffinose
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O	RAH	[(2~{s},3~{s},4~{s},5~{r})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid
+c1cc(c(cc1C(=O)O)NC(=N)N)N2C(=O)CCC2(CO)CO	RAI	1-(4-carboxy-2-guanidinopentyl)-5,5'-di(hydroxymethyl)pyrrolidin-2-one
+Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CCCN(C)C	RAJ	n-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide
+CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCN)F)F	RAK	4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{n}-methyl-benzenesulfonamide
+c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O	RAL	raloxifene
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O	RAM	alpha-l-rhamnopyranose
+CC(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O	RAN	phosphoric acid mono-[3,4,6-trihydroxy-5-(1-hydroxy-ethylamino)-tetrahydro-pyran-2-ylmethyl] ester
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC)O)O)O	RAO	methyl 6-deoxy-alpha-l-rhamnopyranoside
+C[C@@H]1CC[C@H]2C[C@@H](C(=CC=C\C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC	RAP	rapamycin immunosuppressant drug
+CCC[C@H]1c2ccccc2C=NN1C(=O)\C=C\c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N	RAR	5-(3,4-dimethoxy-5-{(1e)-3-oxo-3-[(1s)-1-propylphthalazin-2(1h)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine
+C=CCN[C@@H]1CCc2c1cccc2	RAS	(1r)-n-(prop-2-en-1-yl)-2,3-dihydro-1h-inden-1-amine
+C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O	RAT	d-arabinaric acid
+C#CCN[C@@H]1CCc2c1cccc2	RAU	rasagiline
+CCC[C@H](C)C1(C(=O)NC(=O)NC1=O)CC	RAV	5-ethyl-5-[(2s)-pentan-2-yl]pyrimidine-2,4,6(1h,3h,5h)-trione
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C	RAW	beta,beta-caroten-4-one
+Cc1ccccc1.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl	RAX	dichloro[(1,2,3,4,5,6-eta)-6-methylbenzene]1,3,5-triaza-7lambda~5~-phosphatricyclo[3.3.1.1~3,7~]dec-7-ylruthenium
+COCCOCC(=O)Nc1cccc(c1)F	RAY	n-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide
+CC1=CC[C@H](CC1)[NH+](C)CCC=C(C)C	RAZ	(1r)-n,4-dimethyl-n-(4-methylpent-3-enyl)cyclohex-3-enaminium
+[Rb+]	RB	rubidium ion
+C([C@H](C([C@H](CO)O)O)O)O	RB0	d-ribitol
+CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)O)c(ncn2)N	RB1	3-[(4-amino-1-tert-butyl-1h-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenol
+COC(C1CC(CCC1NC(C(O)O)O)Cl)O	RB2	2-({4-chloro-2-[hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol
+C[C@H](CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(=O)OC)O	RB3	(1r)-3-{[(1r)-3-methoxy-1-methyl-3-oxopropyl]oxy}-1-methyl-3-oxopropyl (3r)-3-hydroxybutanoate
+CCOC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2cccc3)c4ccccc4	RB4	ethyl 2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxylate
+C([C@H]([C@H]([C@H](C=O)O)O)O)O	RB5	d-ribose
+C1CNC[C@@H]1N2CC=C(C2=O)CC3=C(N[C@H](SC3)[C@@H](C=O)NC(=O)/C(=N\O)/c4nc(sn4)N)C(=O)O	RB6	(2r)-2-[(1r)-1-{[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3r)-pyr rolidin-3-yl]-2,5-dihydro-1h-pyrrol-3-yl}methyl)-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1cc(ccc1Br)CNCCS(=O)(=O)C	RB7	n-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)S(=O)(=O)O	RB8	6-deoxy-6-sulfo-d-fructose
+c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CNCCc3c[nH]c4c3cccc4)c5ccccc5	RB9	n-benzyl-2-({n-[2-(1h-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide
+COC[C@@H]1CNC[C@@H]([C@H]1c2ccc(cc2)COC(=O)c3ccccc3Cl)OCc4ccc5ccccc5c4	RBC	4-[(4r,5r)-3-(methoxymethyl)-5-(2-naphthylmethoxy)piperidin-4-yl]benzyl 2-chlorobenzoate
+c1nc2c(c(n1)N3C[C@H]([C@@H](C3)O)O)ncn2[C@H]4C[C@@H]([C@H](O4)COP(O)(O)O)O	RBD	(r,r)-n6,n6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate
+c1ccc(cc1)C(=O)O[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)[O-])[NH2+]3	RBE	3-(benzoyloxy)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	RBF	riboflavin
+CC(C)(C)NC(=O)[C@H]1CCCCN1	RBG	(2r)-n-tert-butylpiperidine-2-carboxamide
+CNCc1ccc(cc1)O	RBJ	4-[(methylamino)methyl]phenol
+C([C@H]([C@H](C(=O)CO)O)O)O	RBL	d-ribulose
+[CH]12=[CH]3[Ru]1456([CH]2=[CH]4[CH]5=[CH]63)(Cl)Cl	RBN	benzeneruthenium(ii) chloride
+c1ccc2cc(ccc2c1)CO[C@H]3CNCC[C@@H]3c4ccc(cc4)Br	RBP	(3r,4r)-4-(4-bromophenyl)-3-(2-naphthylmethoxy)piperidine
+CC(C)OCCN1[C@@H](CCN2C1=NC(=CC2=O)N3CCOCC3)C(F)(F)F	RBQ	(8s)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidin-4-one
+C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccccc3	RBS	n-(4-phenylamino-quinazolin-6-yl)-acrylamide
+Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](\C=C\C=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O	RBT	rifabutin
+c1ccnc(c1)C2=[N](C=CC=C2)[Ru]([N]3=CNC=C3)[N]4=C(C=CC=C4)c5ccccn5	RBU	ruthemium bis(2,2'-bipyridine)-2-imidazole
+c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	RBV	1-(beta-d-ribofuranosyl)-1h-1,2,4-triazole-3-carboxamide
+CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=O)(=O)C)C(=O)O	RBW	3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{h}-indole-2-carboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OCC4C([C@H]([C@@H](O4)O)O)O)O)O)O)N	RBY	methylene adp-beta-xylose
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	RBZ	alpha-ribazole-5'-phosphate
+Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc(cc3)Cl)Cl)C	RC0	5-chloranyl-~{n}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
+C[C@@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O	RC1	[3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid
+c1cc(cc(c1)NC(=O)CN)C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4	RC2	n-{3-[5-oxo-7-(piperazin-1-yl)-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide
+[B-]1(c2cc(ccc2CO1)NC(=O)Nc3cc(ccc3OC)C)(O)O	RC4	1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea
+CN(C(=O)C[C@@H](CCCc1ccccc1)CP(=O)(O)O)O	RC5	[(2r)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid
+c1cc(ccc1/C=C\2/C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O	RC7	2-[(4z)-4-[(4-hydroxyphenyl)methylidene]-2-[(e)-2-(1h-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4	RC8	(2r)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9h-purin-2-yl}amino)butan-1-ol
+CC1=C(NC(=O)NC1=O)C[C@@]2([C@@H](NC(=O)NC2=O)CO)C	RCA	6-{[4-(hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-yl]methyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O	RCB	4-nitrophenyl beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranosyl-(1->4)-beta-d-glucopyranoside
+CCc1c(c([nH]c1Cc2c(c3c([nH]2)/C(=C\4/[C@H]([C@@H](C(=N4)/C=C\5/C(=C(C(=O)N5)C=C)C)C)CCC(=O)O)/[C@H](C3=O)C(=O)OC)C)C=O)C	RCC	3-{(2z,3s,4s)-5-[(z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2h-pyrrol-2-ylidene)methyl]-2-[(5r)-2-[(3-ethyl-5-formyl-4-methyl-1h-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1h)-ylidene]-4-methyl-3,4-dihydro-2h-pyrrol-3-yl}propanoic acid
+C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O	RCD	gamma-cyclodextrin
+C[C@@H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	RCE	1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-beta-d-gulofuranosyl}pyrimidine-2,4(1h,3h)-dione
+C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F)C#N	RCF	(2r)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid
+CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(c3c(cc(cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5	RCG	(1r,2r,3s,3ar,8bs)-6,8-dimethoxy-3a-(4-methoxyphenyl)-n,n-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1h-cyclopenta[b][1]benzofuran-2-carboxamide
+Cc1cc(cc(n1)C#Cc2ccc3c(c2)oc4c3C(=O)c5ccc(cc5C4(C)C)NS(=O)(=O)C)C(=O)NC(C)(C)C	RCH	n-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide
+C[C@H](C(=O)O)Cl	RCI	(r)-2-chloropropionic acid
+CC(=O)N[C@H]([C@H](C[C@@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	RCJ	(2~{s},4~{s},5~{r},6~{r},7~{s},8~{r})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid
+c1ccc(cc1)CCn2c3c(cn2)c(nc(n3)SCN4CCOCC4)NCc5ccccc5F	RCK	~{n}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
+CCCCCC[C@H](C\C=C\CCCCCCCC(=O)O)O	RCL	ricinoleic acid
+CN1C(=O)[C@H](NC1=O)Cc2c[nH]c3c2cccc3Cl	RCM	(5r)-5-[(7-chloro-1h-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
+c1cc(c(cc1Cl)c2cn[nH]n2)N	RCN	4-chloranyl-2-(2~{h}-1,2,3-triazol-4-yl)aniline
+c1cc(cc(c1)O)O	RCO	resorcinol
+c1ccc2c(c1)cc3ccccc3c2C(=O)N4CCC(CC4)[N@]5CCC[C@H](C5)C(=O)N6CCOCC6	RCP	(3r)-1'-(9-anthrylcarbonyl)-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine
+c1cc(c(cc1Cl)c2[nH]ncn2)N	RCQ	4-chloranyl-2-(1~{h}-1,2,4-triazol-5-yl)aniline
+c1cc(ccc1CNC(=O)C23[CH]4=[CH]5[Re]426([CH]5=[CH]63)(C#O)(C#O)C#O)S(=O)(=O)N	RCS	triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide rhenium(i)
+COC(=O)COc1cccc(c1)CN	RCV	methyl [3-(aminomethyl)phenoxy]acetate
+c1cc(c(cc1Br)c2[nH]cnn2)N	RCW	4-bromanyl-2-(4~{h}-1,2,4-triazol-3-yl)aniline
+CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3	RCX	rofecoxib
+CC1(C[C@H](C(N1[O])(C)C)N2C(=O)CCC2=O)C	RCY	(3'r)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione
+c1cc2c(cc1Cl)nc3c(n2)C4=C5C6=[N](C=CC=C36)[Ru+2]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81	RCZ	ru(tap)2(cl-dppz) complex
+c1cc2c(ccn2CCC3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6	RD0	1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole
+c1cc(cc2c1cc(cc2)OP(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O	RD1	{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid)
+c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=O)(O)O	RD2	[(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)
+c1cc(ccc1C(P(=O)(O)O)P(=O)(O)O)OP(=O)(O)O	RD3	{[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid)
+[H]/N=C(\c1cccc(c1)OCC)/N	RD4	3-ethoxybenzene-1-carboximidamide
+c1cc2c(ccn2CCN3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6	RD7	1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1h-indole
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]nn4	RD8	radezolid
+COc1cc(c(cc1O)NC(=O)CCc2c(c(cc(c2Cl)O)O)C(=O)OC)O	RDA	methyl 3-chloro-2-{3-[(2,5-dihydroxy-4-methoxyphenyl)amino]-3-oxopropyl}-4,6-dihydroxybenzoate
+C[C@@H]1C[C@@H]2[C@H](O2)\C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1	RDC	radicicol
+C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)O	RDD	1-beta-d-ribofuranosyl-1,3,5-triazinane-2,4,6-trione
+COc1cc(c(c(c1OC)CCOC(=O)c2cc(c(cc2O)O)Cl)OC)N	RDE	2-(3-amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O	RDF	n-alpha-l-rhamnopyranosyloxy(hydroxyphosphinyl)-l-leucyl-l-tryptophan
+c1cc(oc1)CNC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2	RDG	2'-deoxy-n-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate)
+C=C(C(=O)O)Oc1cccc(c1)C(=O)O	RDH	3-[(1-carboxyvinyl)oxy]benzoic acid
+C[C@@H]1C[C@@H]2[C@H](O2)CCCCC(=O)CC3C(C(=O)CC(=O)C3Cl)C(=O)O1	RDI	radicicol
+CCNC(=O)CSc1nnc(o1)C(C)C	RDJ	n-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
+C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O	RDL	6,7-dioxo-5h-8-ribitylaminolumazine
+CC(=O)N[C@H](CCc1ccccc1)C(=O)O	RDM	(2r)-2-(acetylamino)-4-phenylbutanoic acid
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O	RDP	alpha-d-ribose-1-phosphate
+c1cc(cc2c1cc(s2)S(=O)(=O)[N@]3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO)Cl	RDR	4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-1-{[1-(2-hydroxyethyl)-1h-pyrrolo[3,2-c]pyridin-2-yl]methyl}piperazin-2-one
+CC[C@@H](C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N	RDS	6-sec-butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine
+C[C@@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC	RDT	(1r)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1h)-sulfonamide
+C1CCC(C1)CCC(=O)N2CCNCC2	RDV	3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
+C[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1	RDY	n-[(benzyloxy)carbonyl]-n-methyl-l-alanine
+CC(=CCC/C(=C/COP(=O)(O)O)/C)C	RDZ	geranyl phosphate
+[Re]	RE	rhenium
+c1ccc2c(c1)[C@@](C(=O)N2)(C[C@@H](C(=O)O)N)O	RE0	3-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine
+C[C@@H](NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])[P@](=O)(O)[O-]	RE1	glycyl-l-a-aminopimelyl-e-(d-2-aminoethyl)phosphonate
+c1cc(ccc1CCc2cc(cc(c2)O)O)O	RE2	5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol
+c1ccc2c(c1)[C@](C(=O)N2)(C[C@@H](C(=O)O)N)O	RE3	3-[(3s)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine
+Cc1cc(nc(n1)N)NCc2cccnc2	RE4	6-methyl-n~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
+C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O	RE5	l-glutamate tenofovir
+C[C@H](c1ccc(cc1)F)NCCn2cccn2	RE7	(1r)-1-(4-fluorophenyl)-n-[2-(1h-pyrazol-1-yl)ethyl]ethan-1-amine
+c1ccc2c(c1)ccc(c2/N=N/c3ccc(c4c3cccc4)S(=O)(=O)O)O	RE8	4-[(e)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
+C\C(=C/C(=O)O)\C=C\C[C@@]1(CC2=C(C1=C)CCCC2(C)C)C	RE9	6-(2,3,4,5,6,7-hexahydro-2,4,4-trimethyl-1-metyleneinden-2-yl)-3-methylhexa-2,4-dienoic acid
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C	REA	retinoic acid
+c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc([nH]n3)C4CC4	REB	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N	REC	cephalosporin
+C(CCC(=O)O)C[C@H](CCS)S	RED	dihydrolipoic acid
+C[N+](C)(C)NCCC(=O)O	REE	2-(2-carboxyethyl)-1,1,1-trimethyldiazanium
+c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O	REF	2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione
+C1CCC(C1)NC(=O)NC[C@@H]2CCCO2	REG	1-cyclopentyl-3-[[(2~{s})-oxolan-2-yl]methyl]urea
+C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2]	REI	tricarbonyl (aqua) (imidazole) rhenium(i)
+C([C@H]1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O	REJ	tricarbonyl (l-serine) rhenium(i)
+C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@H](CC(=O)O)C(=O)O)O	REK	d-aspartate tenofovir
+C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O	REL	d-glucuronic acid
+CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](C4CC4)O)O	REM	nalpha-[(2s)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-n-[(1s,2r,3s)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-l-histidinamide
+C[N@@]1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)OC)O)OC	REN	(s)-reticuline
+[O-][Re](=O)(=O)=O	REO	perrhenate
+C1=C[N]2=C3C(=C1)C=CC4=CC=C[N](=C43)[Re]2(C#O)(C#O)C#O	REP	(1,10 phenanthroline)-(tri-carbon monoxide) rhenium (i)
+CC1=C2C=CC3=C4C2=[N](C=C1)[Re]([N]4=CC=C3C)(C#O)(C#O)C#O	REQ	(1,10 phenanthroline)-(tri-carbon monoxide) rhenium (i)
+C[C@H]1[C@H]([C@@](C[C@@H](O1)O)(C)N)O	RER	vancosamine
+C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O	RES	4-phospho-d-erythronohydroxamic acid
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C	RET	retinal
+CC[C@@H](c1ccccc1)c2cc(c(c(c2O)OC)OC)O	REV	2,3-dimethoxy-5-[(1s)-1-phenylpropyl]benzene-1,4-diol
+Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)C[C@H]4[C@H](N(C4=O)c5ccc(cc5)OC)C(=O)O	REW	(2s,3s)-1-(4-methoxyphenyl)-3-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-4-oxoazetidine-2-carboxylic acid
+C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+]	REX	glycyl-l-alpha-amino-epsilon-pimelyl-d-alanyl-d-alanine
+C[C@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+]	REY	glycyl-l-alpha-amino-epsilon-pimelyl-d-alanine
+C[C@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N	REZ	(2r)-2-amino-7-{[(1r)-1-carboxyethyl]amino}-7-oxoheptanoic acid
+CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)c3cccs3	RF1	tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
+c1ccc(cc1)c2[nH]c(nn2)c3ccc(cc3)F	RF2	3-(4-fluorophenyl)-5-phenyl-4h-1,2,4-triazole
+c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4	RF3	1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
+Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C	RF4	(2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1h-benzimidazol-1-yl)acetic acid
+C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)OP(=O)(O)O	RF5	2-deoxy-2-fluoro-5-o-phosphono-alpha-d-arabinofuranose
+CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O	RF7	{(2r)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid
+C(CCCCCCCC(=O)O)CCCCCCC(=O)O	RF8	hexadecanedioic acid
+C[C@H](C(=O)O)NCCCC[C@@H](C(=O)O)N	RF9	n~6~-[(1r)-1-carboxyethyl]-l-lysine
+CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F	RFA	delta-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c2-adamantane ruthenium (ii)
+CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F	RFB	lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c2-adamantane ruthenium (ii)
+CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O	RFC	(r)-ibuprofenoyl-coenzyme a
+C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@@H](CCSC)C(=O)O)O	RFE	l-methionine tenofovir
+CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cn(nc3OC)c4cnccn4	RFG	3-methoxy-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1h-pyrazole-4-carboxamide
+Cc1c(c2c(c3c1O[C@](C3=O)(C)O/C=C/[C@@H]([C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C@H]([C@@H](C)/C=C/C=C(\C)/C(=O)N)O)O)OC(=O)C)OC)C(=O)C(=C(C2=O)O)C=NN4CCN(CC4)C)O	RFH	(1e,3s,4r,5s,6r,7r,8r,9s,10s,11e,13e)-15-amino-1-{[(2s)-5,7-dihydroxy-2,4-dimethyl-8-{(e)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=S)(O)O)O	RFJ	2'-o-methyl-5'-o-thiophosphonoguanosine
+Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	RFL	8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide
+c1ccc(cc1)C(=O)Nc2ccc(cc2)N(Cc3ccsc3)C(=O)Cn4c5ccccc5nn4	RFM	n-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide
+C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O)C	RFN	(2r)-n-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2h)-yl)butanamide
+Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CCN(CC5)C)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O	RFP	rifampicin
+[H]/N=C(/c1cccs1)\Nc2cccc(c2)[C@@H](COc3cccc(c3)[N]/C(=N\[H])/c4cccs4)O	RFQ	n-{3-[(1s)-2-(3-{(z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)Br	RFS	br-paroxetine
+CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O	RFT	butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate
+Cc1c(c2c3c(cc(c2O)NC(=O)C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4([C@@H](c3c1O4)O)C)OC)C)OC(=O)C)C)O)C)O)C)C)O)O	RFV	rifamycin sv
+CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O	RFW	n-acetyl-d-glucosamine-6-phosphate
+CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F	RFX	(3r)-n-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)I	RFY	i-paroxetine
+c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	RFZ	5,6-dichloro-1-beta-d-ribofuranosyl-1h-benzimidazole
+CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C	RG1	rhodopin b-d-glucoside
+c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)Cl	RG2	3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
+c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@@H](CC#N)C4CCCC4	RG4	(3s)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+C[C@@H](C(F)(F)F)NS(=O)(=O)c1ccc(c(c1Cl)Cl)c2c(nc(s2)C(=O)NCC(C)(C)O)C(=O)N3CCC(CC3)F	RG7	5-(2,3-dichloro-4-{[(2s)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-n-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
+C[C@H]1/C=C/[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](/C=C/[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)/C)OC)C)OC)OC	RGA	reidispongiolide a
+C[C@H]1\C=C\[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](\C=C\[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC(=O)O)OC)OC)/C)OC)C)OC)OC	RGC	reidispongiolide c
+C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(C2)CCO)CO	RGD	cyclobutyl[(2s,3as,6as)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5h-furo[2,3-c]pyrrol-5-yl]methanone
+[H]/N=C(\CS(=O)C)/NCCC[C@@H](C(=O)O)N	RGE	(2s)-2-amino-5-(2-(methylsulfinyl)acetimidamido)pentanoic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](CO)O)O)O)O)O	RGG	(2r)-2,3-dihydroxypropyl beta-d-galactopyranoside
+CNC(=O)O	RGI	methylcarbamic acid
+CNC(=O)c1cnc2cc(c(cc2c1Nc3ccc(cc3F)Cl)OC)OC	RGJ	4-(4-chloro-2-fluoro-anilino)-6,7-dimethoxy-n-methyl-quinoline-3-carboxamide
+c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N	RGK	2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one
+C(C[C@@H](C=O)N)CNC(=[NH2+])N	RGL	arginal
+CC(=O)N1C[C@@H]2C[C@H]3c4c[nH]cc4C(=O)[C@]2(C1)N3C	RGM	(3as,8s,9as)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1h)-one
+C1[C@H]([C@@H](CC1(F)F)O)O	RGN	(1~{r},2~{r})-4,4-bis(fluoranyl)cyclopentane-1,2-diol
+C(CC(=O)OP(=O)(O)O)[C@H](C(=O)O)N	RGP	gamma-glutamyl phosphate
+C(CNC(=O)[C@@H](CSSC[C@H](C(=O)NCC[C@@H](C(=O)O)N)NC(=O)CC(=O)O)NC(=O)CC(=O)O)[C@@H](C(=O)O)N	RGS	4n-malonyl-cysteinyl-2,4-diaminobutyrate disulfide
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)nc(nc2O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N	RGT	2-amino-9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-ribofuranosyl}-9h-purin-6-yl 5-o-phosphono-beta-d-ribofuranoside
+CN1[C@H]2C[C@@H]3[C@]1(CN(C3)C=O)C(=O)c4c2c[nH]c4	RGV	(3as,8s,9as)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3h)-carbaldehyde
+Cc1c(sc-2c1[C@H](N[C@H](c3n2c(nn3)C)CC(=O)NCC45CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C	RGW	~{n}-(1-adamantylmethyl)-2-[(7~{r},9~{s})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
+Cc1c2c(on1)[C@@H]3C[C@H]4CNC[C@@]4([C@@H]2O)N3C	RGY	(4r,4as,7as,9s)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
+CN(CCOc1ccc(cc1)C[C@@H]2C(=O)NC(=O)S2)c3ccccn3	RGZ	(r)-rosiglitazone
+[Rh+]	RH	rhodium
+c1ccc(cc1)CSC[C@H]([C@H](CC(=O)O)N)O	RH0	3-amino-5-s-benzyl-2,3-dideoxy-5-thio-d-erythro-pentonic acid
+CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3	RH1	2,5-diaziridin-1-yl-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione
+c1cc(cnc1)c2ccc(s2)CN[C@@H](CCCCN)C(=O)N	RH2	n~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-l-lysinamide
+[Rh+3]	RH3	rhodium(iii) ion
+COC(=O)[C@H](Cc1ccco1)c2ccncc2	RH4	methyl (2r)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate
+[H]/N=C(/c1ccc(cc1OCc2cccnc2)[C@H]3Cc4ccccc4B(O3)O)\N	RH5	4-[(3~{r})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
+COC(=O)N1C[C@@H]2C[C@H]3c4c(nccn4)C[C@]2(C1)O3	RH7	methyl (5as,8as,10s)-8,8a,9,10-tetrahydro-5h-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6h)-carboxylate
+CN1CCN(CC1)c2ccc(cc2F)Nc3nccc(n3)c4cnn5c4cccn5	RH8	~{n}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
+C[C@@H](CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)[C@H](C[C@H]1C([C@H](Cc2nc(co2)[C@H](C\C=C\C=C\[C@@H](C[C@@H](CC(=O)O[C@H](C([C@H](Cc3nc(co3)[C@H](C\C=C\C=C\[C@@H](C[C@@H](CC(=O)O1)O)OC)OC)O)(C)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)OC)O)OC)OC)O)(C)C)OC	RH9	rhizopodin
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O	RHA	6-deoxy-1-o-phosphono-alpha-l-rhamnopyranose
+CCN(CC)c1ccc2c(c1)OC3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O	RHB	n-[9-(2-carboxyphenyl)-6-(diethylamino)-3h-xanthen-3-ylidene]-n-ethylethanaminium
+C(CSC[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)[C@@H](C(=O)O)N	RHC	(2s)-2-amino-4-[[(2s,3s,4r,5r)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
+[NH3][Rh+3]([NH3])([NH3])([NH3])([NH3])[NH3]	RHD	rhodium hexamine ion
+Cl[Re](Cl)(Cl)(Cl)(Cl)Cl	RHE	rhenium (iv) hexachloride
+C1CNC[C@@]23CN(C[C@@H]2C[C@@H]1O3)S(=O)(=O)C(F)(F)F	RHG	(3ar,8s,9as)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine
+Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(nc(c4)N)N	RHH	4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3(C2)CO)CCO	RHJ	cyclobutyl[(2s,3as,6as)-2-(2-hydroxyethyl)-6a-(hydroxymethyl)hexahydro-5h-furo[2,3-c]pyrrol-5-yl]methanone
+CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N]3=CC=CC=C31	RHL	[n,n-di(pyridin-2-yl-kappan)dodecanamide]rhodium
+C[C@@H]1CNCC[N@@]2C[C@H](N[Rh+2]23(N1)N=C4c5ccccc5-c6ccccc6C4=N3)C	RHM	delta-alpha-rh[2r,9r-diamino-4,7-diazadecane]9,10-phenanthrenequinone diimine
+c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O	RHN	4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
+CN(C)c1ccc2c(c1)OC3=CC(=CCC3=C2c4ccc(cc4C(=O)O)N5C(=O)C=CC5=O)N(C)C	RHO	tetramethylrhodamine-5-maleimide
+C#CCN[C@@H]1CCc2c1cc(cc2)O	RHP	(3r)-3-(prop-2-ynylamino)indan-5-ol
+CCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]\CC)/C=C3O2)C)c4ccccc4C(=O)OCC	RHQ	rhodamine 6g
+CCC(CC)NC(=O)C[C@@H](C(=O)N)C(C)(C)C	RHS	3-(carboxyamide(2-carboxyamide-2-tertbutylethyl))pentan
+Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N	RHT	4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine
+Cn1c(nnc1S)C(F)(F)F	RHU	4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol
+CCOC(=O)CNC(=O)[C@H](C)c1cc(ccn1)C	RHV	ethyl n-[(2r)-2-(4-methylpyridin-2-yl)propanoyl]glycinate
+c1cc2c(cco2)cc1c3cc(nc(c3)N)N	RHW	4-(1-benzofuran-5-yl)pyridine-2,6-diamine
+c1ccc(cc1)[C@H]2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4[C@H](CO6)c7ccccc7	RHX	[2,6-bis(4-phenyl)-1,3-oxazolin-2-yl]rhodium(iii)
+CC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1)O3	RHY	1-[(4as,7as,9s)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5h)-yl]ethan-1-one
+COc1cc(ccc1Cl)c2ccnc(c2)N	RHZ	4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine
+C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O	RI2	1,5-di-o-phosphono-alpha-d-ribofuranose
+CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C	RI5	(1ar,2ar,3s,6r,6as,8as,8br,9r)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3h)-dione
+CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)c2csc3c2ncnc3N)F	RI8	4-amino-n-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide
+CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)Nc2cc(ncn2)NCCO)F	RI9	n-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N	RIA	2'-o-[(5'-phospho)ribosyl]adenosine-5'-monophosphate
+C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O	RIB	alpha-d-ribofuranose
+Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	RIC	phosphoric acid mono-[5-(5,6-dimethyl-benzoimidazol-1-yl)-3,4-dihydroxy-tetrahydro-furan-2ylmethyl] ester
+CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)S(=O)(=O)N4CCOCC4	RID	(3r,5r)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1h-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
+CC(C)c1c(n(nc1C(=O)N(C)[C@H](C)c2ccccc2)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O	RIE	(3r,5r)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1r)-1-phenylethyl]carbamoyl}-1h-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid
+C[C@H]1\C=C\C=C(/C(=O)NC2=C(C3C(C4=C(C(=C3O)C)O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)COC(=O)CC5=CN(C=CC5)C)C)OC)C)C(=C2N6CCOCC6)O)O)\C	RIF	rifamycin cgp 4832
+CC1(OC[C@H](O1)CO[P@](=O)(CCCCC=C)O)C	RIL	[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate
+C[C@H](C12CC3CC(C1)CC(C3)C2)N	RIM	rimantadine
+C1CCCCCNC(=O)[C@H](CCCC1)N	RIN	3-amino-azacyclotridecan-2-one
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N	RIO	ribostamycin
+C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O	RIP	beta-d-ribopyranose
+CC12=C3([Ir]145C2(=C4(C53C)C)C)C	RIR	[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(iii)
+c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O	RIS	1-hydroxy-2-(3-pyridinyl)ethylidene bis-phosphonic acid
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O	RIT	ritonavir
+c1cc(ccc1N2CCOCC2=O)N3C[C@@H](OC3=O)CNC(=O)c4ccc(s4)Cl	RIV	5-chloro-n-({(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide
+[H]/N=C(\N)/N/C(=N\[H])/Nc1cc(ccc1Cl)C(F)(F)F	RJ1	n-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide
+c1cc2c(cco2)cc1c3ccnc(c3)N4CCNCC4	RJ2	1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine
+c1[nH]c2c(n1)[C@H]3C[C@@H]4CN(C[C@]4(C2)O3)C=O	RJ4	(4ar,7ar,9r)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5h)-carbaldehyde
+COc1ccc(cc1)c2ccnc(c2)N	RJ5	4-(4-methoxyphenyl)pyridin-2-amine
+[H]/N=C(\N)/N/C(=N/[H])/Nc1cc(cc(c1)OC)OC	RJ6	n-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide
+CCOC(=O)[C@H]([C@H](c1cccnc1)O)F	RJ7	ethyl (2s,3s)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate
+c1cc2c(cco2)cc1c3ccnc(c3)N	RJ8	4-(1-benzofuran-5-yl)pyridin-2-amine
+C/C=C/[C@H]1[C@H]([C@@H](C[C@@H](O1)[C@@H](/C=C/C=C(\C)/C[C@@H](C)/C=C(/C)\C=C\[C@@H](CCCC(=O)O)O)O)O)C	RJA	ratjadone a, bound form
+c1ccc2c(c1)CC(C2)(CC(=O)O)C(=O)NCc3nc4ccccc4s3	RJB	2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid
+C[C@H]1CN[C@](CN1C(=O)NCC2CC2)(C)C(=O)NC3CC3	RJD	(3s,6s)-n~3~-cyclopropyl-n~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide
+CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3	RJE	2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7h-purin-8-one
+c1ccc2c(c1)C[N@]3[C@H]4[C@@H]2CC(=O)[C@@]35CNC[C@H]5C4	RJG	(3ar,10r,10ar,11ar)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one
+Cc1cc2ncc(c(n2n1)N3CCOC[C@@H]3COC)NC(=O)Nc4ccc(c(c4)Cl)OC	RJH	1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{s})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea
+c1ccc(cc1)N2C(=O)[C@H](C(=O)NC2=O)C(=O)N	RJI	2,4,6-trioxo-1-phenyl-hexahydropyrimidine-5-carboxamide
+CC[C@@]1(CCN(CCN1)C)C(=O)NCc2ccccc2	RJJ	(5r)-n-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide
+c1cc(c(cc1NC(=O)N[C@@H]2Cc3cc(ccc3OC2)Br)Cl)n4cc(cn4)CN	RJK	1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{r})-6-bromanyl-3,4-dihydro-2~{h}-chromen-3-yl]urea
+c1ccc(cc1)COC(=O)NCc2ccc(cc2)C3=Nc4ccccc4C(=O)N3	RJN	benzyl n-{[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]methyl}carbamate
+c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O	RJP	(1r,5r)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid
+CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)N)C=C6	RJQ	(3~{s},7~{r},10~{r},13~{s})-4-[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide
+c1c(nnn1C[C@H]2[C@H](C[C@@H]([C@H]([C@@H]2O)O)O)O)CCCOCC34CC5CC(C3)CC(C5)C4	RJR	(1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
+CCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4	RJW	(1r,3ar,6ar)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol
+CCOC(=O)c1csc(n1)C	RJY	ethyl 2-methyl-1,3-thiazole-4-carboxylate
+Cc1nc2ccc(nc2n1CCOc3cccc(n3)Br)c4cc(nc(c4)N)N	RJZ	4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+CC[C@@]1(CC=NCCN1CC)C(=O)NCc2ccccc2	RK1	(7r)-n-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1h-1,4-diazepine-7-carboxamide
+Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccn3)c4cc(nc(c4)N)N	RK2	4-[2-methyl-3-[(2~{r})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+c1cc(cc(c1)C(=O)O)CN2CCCCC2	RK4	3-[(piperidin-1-yl)methyl]benzoic acid
+Cc1c(oc2c1cc(cc2)c3cc(nc(c3)N)N)C	RK5	4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
+CCOC(=O)[C@@H]([C@H](c1ccc(cn1)Br)O)F	RK7	ethyl (2r,3s)-3-(5-bromopyridin-2-yl)-2-fluoro-3-hydroxypropanoate
+Cc1nc2ccc(nc2n1C[C@H](C)Oc3cccc(n3)Br)c4cc(nc(c4)N)N	RK8	4-[3-[(2~{s})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+[H]/N=C(/c1ccccc1)\Nc2ccc(cc2)c3ccc([nH]3)c4ccc(cc4)N/C(=N/[H])/c5ccccc5	RKA	n,n'-(1h-pyrrole-2,5-diyldi-4,1-phenylene)dibenzenecarboximidamide
+c1cc(ccc1c2c[nH]nc2)[C@@](C[NH3+])(c3ccc(cc3)Cl)O	RKD	(2s)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1h-pyrazol-4-yl)phenyl]ethanaminium
+CN[C@]1(CCCCC1=O)c2ccccc2Cl	RKE	(r)-ketamine
+c1cc2c3c4c1N=CC=[N]4[Ru+2]56([N]3=CC=N2)([N]7=C8C(=CC=C7)c9c(nc1cc(c(cc1n9)F)F)C1=CC=C[N]5=C18)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]61	RKF	(11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+)
+COC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1)O3	RKG	methyl (4as,7as,9s)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5h)-carboxylate
+Cc1cc2cc(ccc2o1)c3cc(nc(c3)N)N	RKH	4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
+CCN1C[C@@H]2C[C@H]3c4c(c(no4)C)[C@H]([C@]2(C1)N3C)O	RKJ	(4r,4as,7as,9s)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
+CCCCc1nc2ccc(nc2n1CCCC)c3cc(nc(c3)N)N	RKK	4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
+c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru+2]578([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C=CC=C36	RKL	ru(tap)2(dppz) complex
+Cc1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N=CC=[N]81	RKM	(11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium
+C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2	RKN	(3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium
+c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC=[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81	RKP	lambda-ru(phen)2(dppz) complex
+Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N)N	RKQ	4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+CC(=O)N(CCCC[C@H](C(=O)N[C@@H](CCCCN(C(=O)C)O)C(=O)OC)NC(=O)c1cccc(c1O)O)O	RKS	methyl n~6~-acetyl-n~2~-[(2,3-dihydroxyphenyl)carbonyl]-n~6~-hydroxy-d-lysyl-n~6~-acetyl-n~6~-hydroxy-l-lysinate
+c1cc2c(c3c1nccn3)nccn2	RKT	pyrazino[2,3-f]quinoxaline
+Cn1c(cc(n1)c2ccco2)C(=O)O	RKV	3-(furan-2-yl)-1-methyl-1h-pyrazole-5-carboxylic acid
+CNCC(=O)Nc1cc(cc(n1)N)c2ccc3c(c2)cco3	RKW	~{n}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide
+c1cc2c(cc1C(=O)CCC(=O)O)OCCCO2	RKY	4-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
+Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccc3)c4cc(nc(c4)N)N	RKZ	4-[2-methyl-3-[(2~{r})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
+c1ccc2c(c1)CCN(C2)C(=O)c3cc(c(cc3O)O)c4nnc5n4cc(cc5)Br	RL1	[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1h)-yl)methanone
+CC(C)CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)O)O	RL2	n-[3-carboxy-2-hydroxy-propionyl]-l-homophenylalanyl-amino-2-methylbutane
+CN1CCN(CC1)C(=O)c2cc(c(cc2O)O)c3nnc4n3cc(cc4)Br	RL3	[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone
+C[C@@H]1CCCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H]3c5ccccc5)O	RL4	(5r,6s)-5-(4-{2-[(2r)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
+Cc1c(c[nH]c1C(=O)NC2CC2)Cc3ccc(cc3F)C(F)(F)F	RL7	n-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1h-pyrrole-2-carboxamide
+CCOC(=O)c1c(c(c([nH]1)C)Cc2ccc(cc2)C(F)(F)F)C	RLA	ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1h-pyrrole-2-carboxylate
+c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru]578([N]9=C(C=CC=C9)C1=CC=CC=[N]71)[N]1=CC=CC=C1C1=CC=CC=[N]81)C=CC=C36	RLB	lambda-[ru(bpy)2dppz]2+
+CN1C[C@H](CC1=O)c2ccccc2	RLG	(4r)-1-methyl-4-phenylpyrrolidin-2-one
+CCC(=O)Nc1nc(c(s1)c2csc(n2)Nc3ccc(cc3)C(=O)O)C	RLI	4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid
+C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O	RLJ	(2s)-3-(4-cyanophenoxy)-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
+CN(C)CCCS(=O)(=O)N1CCN(CC1)c2ccc(c(c2)NC(=O)c3coc(n3)N)Br	RLK	2-azanyl-~{n}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
+C[C@](COc1ccc(c2c1cccc2)C#N)(C(=O)Nc3ccc(c(c3)C(F)(F)F)C#N)O	RLL	(2s)-3-[(4-cyanonaphthalen-1-yl)oxy]-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
+c1cc(ccc1Nc2cc(c(c(c2)Cl)O)Cl)O	RLM	2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol
+C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O	RLP	3-(7-hydroxy-8-ribityllumazine-6-yl) propionic acid
+CN1C[C@H](CC1=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3	RLS	(4r)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
+Cc1nnc(o1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCc3ccc(cc3)F	RLT	n-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide
+CCCNS(=O)(=O)c1ccc(cc1)[C@H]2CC(=O)N(C2)C	RLV	4-[(3r)-1-methyl-5-oxopyrrolidin-3-yl]-n-propylbenzene-1-sulfonamide
+CC1(C(=NNC1=O)c2ccc(c(c2)OC3CCCC3)OC)C	RLW	3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{h}-pyrazol-5-one
+CCN(CC)S(=O)(=O)c1ccc(c(c1)c2ccc(c(c2)OC)OC)[C@@H]3CC(=O)N(C3)C	RLY	n,n-diethyl-3',4'-dimethoxy-6-[(3s)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide
+C[C@H]1CC/C=C(/C[C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](CC(=O)O1)c2ccc(cc2)O)Cc3c[nH]c4c3cccc4)C)CCCCNC(=O)CCC(=O)Nc5cc(ccc5/N=N\c6cc(c(c(c6)OC)OC)OC)OC)C)\C	RLZ	~{n}-[4-[(4~{r},7~{r},10~{s},13~{s},15~{e},19~{s})-4-(4-hydroxyphenyl)-7-(1~{h}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetrakis(oxidanylidene)-1-oxa-5,8,11-triazacyclononadec-15-en-10-yl]butyl]-~{n}'-[5-methoxy-2-[(~{z})-(3,4,5-trimethoxyphenyl)diazenyl]phenyl]butanediamide
+c1cc(c(nc1CCCCCN2CCOCC2)/C=N/O)O	RM0	2-[(~{e})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol
+CN[C@@H]1CCc2c1cccc2	RM1	n-methyl-1(r)-aminoindan
+C=C\C=N\[C@@H]1CCc2c1cccc2O	RM2	4-hydroxy-n-propargyl-1(r)-aminoindan
+C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O	RM4	beta-l-rhamnopyranose
+CC(C)c1cc(cc(c1NC(=O)NS(=O)(=O)c2cc(co2)C(C)(C)O)C(C)C)Cl	RM5	1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea
+C1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)CC1	RM7	2-[(4-amino-6,7,8,9-tetrahydro-5h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(piperidin-1-yl)ethyl]acetamide
+Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4	RM8	2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1h-indole
+B1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)O	RM9	(1ar,7bs)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
+CN(CC#C)[C@@H]1CCc2c1cccc2	RMA	n-[(1s)-2,3-dihydro-1h-inden-1-yl]-n-methyl-n-prop-2-ynylamine
+Cc1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	RMB	n1-(5'-phospho-alpha-ribosyl)-5-methylbenzimidazole
+CC[C@H](CO)Nc1nc2c(c(n1)[N@@](C)Cc3ccccc3)ncn2C(C)C	RMC	(2r)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9h-purin-2-yl}amino)butan-1-ol
+C1CC2C3[Rh]245678(C1C4CC3)C9C5C6C7(C89)CCN1C(=O)CCC1=O	RMD	[(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium
+Cc1ccnc(c1)Nc2ccc(c(n2)NCCN3CCOCC3)[N+](=O)[O-]	RME	n6-(4-methylpyridin-2-yl)-n2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine
+C1CCc2c(sc3c2c(nc(n3)SCCCN4CCCCC4)N)CC1	RMG	2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
+C1CCN(CC1)CCNC(=O)CSc2nc(c3c4c(sc3n2)CCC4)N	RMJ	2-[(4-amino-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(piperidin-1-yl)ethyl]acetamide
+Cc1c(c(n[nH]1)C)c2ccc(cc2)NC(=O)[C@H](C(C3CC3)C4CC4)NC(=O)c5ccnn5C(C)C	RMK	~{n}-[(2~{s})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{h}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide
+	RML	(11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~n~4~,n~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~n~1~,n~10~)]ruthenium(2+)
+c1cc(cc(c1)c2c[nH]nc2)/C=C(\C#N)/C(=O)N	RMM	(2e)-2-cyano-3-[3-(1h-pyrazol-4-yl)phenyl]prop-2-enamide
+c1ccc(cc1)[C@H](C(=O)O)O	RMN	(r)-mandelic acid
+O[As]1O[Mo](=O)S1	RMO	[arsenothionito(2-)-kappa~2~o,s](oxo)molybdenum
+C[P@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O	RMP	2'-deoxy-adenosine-5'-rp-monomethylphosphonate
+CC(C)[C@@H](C(=O)N[C@H](Cc1ccc(cc1)NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C(c3ccccc3)(F)F)CC(=O)O)NC(=O)COCCNC(=O)OC(C)(C)C	RMQ	(3~{r})-4-[4-[[(2~{s})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{s})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid
+COc1cc(cc(c1OC)OC)C(=O)NCCc2cccs2	RMR	3,4,5-trimethoxy-~{n}-(2-thiophen-2-ylethyl)benzamide
+C1CCN(CC1)CCCSc2nc(c3c4c(sc3n2)CCC4)N	RMS	2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CC(=C[C@H]2C(=O)O)C(=O)O)O	RMT	(3r,4e)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid
+CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCC3)N	RMV	2-[(4-amino-6,7-dihydro-5h-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(diethylamino)ethyl]acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@H](Cc4cc[n+](cc4)C)c5cccc6c5cccc6)O	RMW	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-2,2-dimethyl-4-[[3-[2-[(1~{r})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O	RMY	ethyl 3-o-[5-(acetylamino)-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranonosyl]-1-thio-beta-d-galactopyranoside
+Cc1ccc(cc1C)N2CCN(CC2)CC[C@H]3c4ccccc4C(=O)N3	RMZ	(3~{s})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
+c1ccc2c(c1)cccc2OC[C@@H](CO)O	RN1	(2r)-3-(naphthalen-1-yloxy)propane-1,2-diol
+CCCC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	RN2	calpeptin
+Cc1c2c(sc1C(=O)NCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C4=O)[C@H]5CCC(=O)NC5=O)-n6c(nnc6[C@@H](N=C2c7ccc(cc7)Cl)CC(=O)OC)C	RN3	methyl {(6s)-4-(4-chlorophenyl)-2-[(8-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}octyl)carbamoyl]-3,9-dimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl}acetate
+c1ccc(cc1)[C@H]2CCc3c(sc4c3c(nc(n4)SCCCN5CCCCC5)N)C2	RN4	(7s)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc5ccsc5c4	RN5	4-{(2s, 4r)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C	RN6	2-[(6s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-n-(8-{[({2-[(3s)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1h-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide
+C1CCc2c(c3c(nc(nc3s2)SCC(=O)NCCN4CCOCC4)N)C1	RN7	2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(morpholin-4-yl)ethyl]acetamide
+CCc1c(c(c(s1)C(=O)O)c2ccc(cc2)c3c(c(sc3C(=O)O)CC)C#N)C#N	RN8	3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid)
+Cc1ccc(cc1Cl)NC(=O)CCc2cccc(c2)NC3=CC(=O)N(C3=O)[C@H]4CCC(=O)NC4=O	RN9	3-[3-[[1-[(3~{s})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{n}-(3-chloranyl-4-methyl-phenyl)propanamide
+Cc1ccc(cc1)S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(o3)C)S2	RNA	4-methyl-n-{(5e)-5-[(5-methyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide
+Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CCC=C(C)C)O)C=O	RNB	3-chloro-5-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cccc5)N	RND	n-[1-(1h-indol-3-ylmethyl)piperidin-4-yl]-l-tryptophanamide
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CN)/C)/C	RNE	(2~{e},4~{e},6~{e},8~{e})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
+C1C[C@@H](N2C(=O)CCCC(=O)N2C1)CC=O	RNG	(6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepin-1-yl)-acetaldehyde fragment
+CCCCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O	RNH	(2r)-n-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
+C[C@H]1Cc2c(c3c(nc(nc3s2)SCCCN4CCCCC4)N)C=C1	RNJ	(7s)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl	RNK	4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one
+C[C@@H]1CCc2c(sc3c2c(nc(n3)SC[C@@H]4CCCN(C4)C)N)C1	RNM	(7r)-7-methyl-2-({[(3r)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+CC(C)S(=O)(=O)NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C	RNN	n,n'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide
+c1cc(ccc1[C@@H]2CO2)[N+](=O)[O-]	RNO	(r)-para-nitrostyrene oxide
+CC(C)N=C[C@H](COc1cccc2c1cccc2)O	RNP	(1e,2r)-1-(isopropylimino)-3-(1-naphthyloxy)propan-2-ol
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CC[N@@]4CC[C@H](C4)F)NC(=O)CC[N@@]5CC[C@H](C5)F	RNR	3,6-bis(3-(3'-(r)-fluoropyrrolindino)propionamido)acridine
+C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O	RNS	l-rhamnose
+C[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O	RNT	l-rhamnitol
+CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCCC3)N	RNV	2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-[2-(diethylamino)ethyl]acetamide
+c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)NO	RNW	2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{n}-oxidanyl-ethanamide
+Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6	RNY	n-(3-{[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]amino}-4-methylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
+CC(C)(C)C[NH2+]C[C@H]([C@H](Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3)O	RNZ	2,2-dimethylpropyl-[(2~{r},3~{s})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium
+COc1ccccc1C2CCN(CC2)Cc3cnc(c4c3cc(c(c4)OC)OC)Cc5ccc(c(c5)OC)OC	RO0	1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}isoquinoline
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1CC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)S(=O)(=O)C)NC(=O)COc4cccnc4	RO1	(3s,4as,8as)-n-(tert-butyl)-2-[(3s)-3-({3-(methylsulfonyl)-n-[(pyridin-3-yloxy)acetyl]-l-valyl}amino)-2-oxo-4-phenylbutyl]decahydroisoquinoline-3-carboxamide
+CN1CCN(CC1)c2ccc3c(n2)nc([nH]3)c4ccc5c(c4)[nH]c(n5)c6cccc(c6)O	RO2	3-[5-[5-(4-methyl-piperazin-1-yl)-1h-imidazo[4,5-b]pyridin-2-yl]-benzimidazol-2-yl]-phenol
+Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br	RO3	n-{[(2z)-5-bromo-1,3-thiazol-2(3h)-ylidene]carbamoyl}-4-methylbenzenesulfonamide
+CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO	RO4	[[1-[n-hydroxy-acetamidyl]-3-methyl-butyl]-carbonyl-leucinyl]-alanine ethyl ester
+CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br	RO5	n-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide
+c1ccc(c(c1)N2Cc3cnc(nc3NC2=O)NC4CCC(CC4)O)Cl	RO6	3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)C[C@@H](C(=O)O)OC	RO7	(2s)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid
+c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C\2/NC=C(S2)Br	RO8	n-{[(2z)-5-bromo-1,3-thiazol-2(3h)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
+Cc1cc(n[nH]1)Nc2cc3ccccc3c(n2)c4cccc(c4)OC	RO9	1-(3-methoxyphenyl)-n-(5-methyl-1h-pyrazol-3-yl)isoquinolin-3-amine
+c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O	ROA	(2r)-3-(3,4-dihydroxyphenyl)-2-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
+C1[C@@H]([C@H]([C@H](O1)COP(=O)(O)O)O)O	ROB	1-deoxy-ribofuranose-5'-phosphate
+CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O	ROC	(2s)-n-[(2s,3r)-4-[(2s,3s,4as,8as)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1h-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide
+c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(F)F	ROD	2,6-dioxo-5-{2-[2-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	ROE	5-[2-(6-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F	ROF	3-(cyclopropylmethoxy)-n-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
+CN1CCC[C@@H](C1)CSc2nc(c3c4c(sc3n2)CCCC4)N	ROG	2-({[(3s)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
+CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C	ROI	7,8-dihydro-7,7-dimethyl-6-hydroxypterin
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H](CO4)Cl)O)O)O)N	ROJ	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{r},4~{r})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
+c1cc(ccc1N)S(=O)(=O)NC(=O)NCCS	ROK	4-amino-n-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide
+COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3	ROL	rolipram
+CC1([C@H]([C@H]([C@H]([C@@H](O1)O[C@]23C=CC=C2c4cc5ccc4[C@H]3Oc6c(cc(cc6Cl)[C@H](CC(=O)OC[C@@H]5OC(=O)c7cc(cc8c7NC(=O)C(=C)O8)OC)[NH3+])O)O)O)N(C)C)C	ROM	c-1027 aromatized chromophore
+CCC[C@@H](C(=O)O)N	RON	norvaline
+CCC(=O)N	ROP	propionamide
+C[C@@H](CC(=O)O)C(=O)C(=O)O	ROQ	(3~{s})-3-methyl-2-oxidanylidene-pentanedioic acid
+C([C@@H]([C@@H]([C@@H](C=O)O)O)O)O	ROR	l-ribose
+CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4ccccc4	ROS	n,n'-tetramethyl-rosamine
+c1c(cc(cc1C(F)(F)F)C(F)(F)F)CCC2=C(NC(=O)NC2=O)C(=O)O	ROU	5-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CC(C)c1cccc(c1NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C)C(C)C	ROV	nevanimibe
+CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O	ROX	roxithromycin
+c1c(c2c(c(n(c2nc1C(=O)N)CC3CCNCC3)C4CC4)Cl)Cl	ROY	3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1h-pyrrolo[2,3-b]pyridine-6-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N	RP1	6-(6-amino-purin-9-yl)-2-thioxo-tetrahydro-2-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N	RP2	(2r,4ar,6r,7r,7as)-6-(6-amino-8-bromo-9h-purin-9-yl)tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide
+C1[C@H](O[C@H]([C@@H]1O)O)COP(=O)(O)O	RP3	3-deoxy-5-o-phosphono-beta-d-ribofuranose
+c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O	RP4	(1s,4s,5s)-1,4,5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid
+C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O	RP5	5-o-phosphono-beta-d-ribofuranose
+CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1C([C@@H](CO)O)O)C(=O)O)CC=C)O	RP6	5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-d-glycero-d-galacto-non-2-enonic acid
+CN1CC=C[C@@H](C1)O	RP7	(3s)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol
+c1cc(c2ccc(nc2c1)N)CN	RP8	5-(aminomethyl)quinolin-2-amine
+CC(=CC=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/CO)/C)/C)C	RPA	rhodopinal glucoside
+CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3	RPB	rucaparib
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)O	RPC	cytidine 3',5'-bis(dihydrogen phosphate)
+C(C[C@H](C(=O)O)[N@](CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC1=O	RPD	(c8-r)-hydantocidin 5'-phosphate
+COc1ccccc1COCCCOc2ccc(cc2)N3[C@@H](CNCC3=O)COc4ccc5c(c4)NCCC5	RPF	1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-6-(1,2,,3,4-tetrahydro-quinolin-7-yloxymethyl)-piperazin-2-one
+CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O)O	RPG	(13e,15s)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid
+C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C=O)O	RPH	6-hydroxo-octahydro-indole-2-carbaldehyde
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NP(=O)(O)O	RPI	phospho-arginine
+c1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccc(cc4)F)C(=O)O	RPJ	1-(4-fluorophenyl)-5-[3-(1h-indol-3-yl)propoxy]-1h-pyrazole-4-carboxylic acid
+C(C[C@@H](C(=O)O)[N@](CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC1=O	RPL	(c8-s)-hydantocidin 5'-phosphate
+Cc1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccccc4)C(=O)O	RPM	5-[3-(5-methyl-1h-indol-3-yl)propoxy]-1-phenyl-1h-pyrazole-4-carboxylic acid
+c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-]	RPN	(r)-1-para-nitro-phenyl-2-azido-ethanol
+c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N)O)O)N)N)CO	RPO	(1r,2r,3s,4r,6s)-4,6-diamino-2-{[3-o-(2,6-diamino-2,6-dideoxy-beta-l-idopyranosyl)-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-o-benzyl-2-deoxy-alpha-d-glucopyranoside
+c1nc(c2c(n1)N(NC2I)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N	RPP	2-ribofuranosyl-3-iodo-2,3-dihydro-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
+C[C@H]1[C@@H]([C@H]([C@H](c2n1nnn2)O)O)O	RPQ	d-rhamnopyranose tetrazole
+C[C@H]([C@@H](Cc1cccc(c1)C(=N)N)C(=O)OC)NC(=O)c2ccc(cc2)c3cccc(c3)CN	RPR	3-[(3'-aminomethyl-biphenyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-butyric acid methyl ester
+c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)C#[O+])C=CC=C4)C(=O)NC2=O	RPS	phtalimide-ruthenium complex
+Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](\C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CCN(CC5)C6CCCC6)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O	RPT	rifapentine
+c1ccc(cc1)n2c(c(cn2)C(=O)O)NC(=O)CCc3c[nH]c4c3cccc4	RPV	5-{[3-(1h-indol-3-yl)propanoyl]amino}-1-phenyl-1h-pyrazole-4-carboxylic acid
+CCO[C@H]/1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](CC([C@H]([C@H](C(=O)[C@@H](C[C@@H](\C=C\C=C\C=C1/C)C)C)OC)O)C)C)[C@H](C)Cc4ccc(c(c4)OC)O)O)C	RPX	c16-ethoxy-rapamycin,immunosuppressant drug
+CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CC/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C	RQ0	2-azanyl-5-[(2~{e},6~{e},8~{e},10~{e},12~{e},14~{e},18~{e},22~{e},26~{e},30~{e},34~{e})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,8,10,12,14,18,22,26,30,34,38-dodecaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione
+c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCCc3c[nH]c4c3cccc4	RQ1	5-[4-(1h-indol-3-yl)butoxy]-1-phenyl-1h-pyrazole-4-carboxylic acid
+c1nc2c(n1CO[C@H](CO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N	RQ2	ganciclovir triphosphate
+Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)O)C	RQ3	2-{4-[(3,5-dimethylanilino)-carbonyl-methyl]-phenoxy}-2-methylpropionic acid
+Cc1c(cc(c(n1)C(F)(F)F)C(=O)O)c2nc(cs2)c3ccccc3	RQ4	6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid
+c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5ccc(c(n5)C(=O)O)c6cnn(c6)Cc7ccncc7	RQ7	6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1h)-yl}-3-{1-[(pyridin-4-yl)methyl]-1h-pyrazol-4-yl}pyridine-2-carboxylic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O	RQA	5'-o-sulfocytidine
+COC(=O)[C@H](Cc1ccc(cc1)F)N	RQD	methyl 4-fluoro-l-phenylalaninate
+Cc1ccc2c(c1)c(co2)CC(=O)O	RQG	(5-methyl-1-benzofuran-3-yl)acetic acid
+CC(C)(C)C(=O)[C@@H](n1ccnc1)Oc2ccc(cc2)Cl	RQH	(1~{s})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one
+C1CN(C1=O)[C@@H](CCCN)C(=O)O	RQJ	deoxyproclavaminic acid
+C[C@H]1C[C@H]2C(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)NC(=C)C(=O)N2C1)C)O)[C@H](C(=O)N)O)C)C	RQK	(2~{r})-2-oxidanyl-2-[(6~{s},9~{s},12~{s},15~{s},17~{s})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide
+CCc1cc(c(cc1F)Oc2ccc(cc2F)C(=O)N)O	RQN	4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide
+COCCN1C(=O)[C@](NC1=O)(CCO)Cc2ccc(cc2)F	RQP	(5r)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
+COc1ccc(cc1)CNC(=O)c2ccc3c(c2)nccn3	RQQ	n-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide
+c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3	RQS	n-{[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide
+CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cccn3	RQT	~{n}-[3-(1~{h}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide
+CC(=O)Nc1ccc(cc1)c2cc(c3ccc(cc3n2)C#N)CN4CCOCC4	RQV	n-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide
+COC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3ccc4c(c3)scn4)Cc5ccccn5	RQW	(1~{s},5~{s},6~{r})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
+CCC/C(=C/CC1=C(C(=O)C(=C(C1=O)OC)N)C)/C	RQX	2-amino-3-methoxy-6-methyl-5-[(2e)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione
+CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cc(cn3)C(=O)N	RQZ	3-[3-(propanoylamino)phenyl]-1~{h}-pyrrolo[2,3-b]pyridine-5-carboxamide
+c1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)N)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	RR1	5-(4,6-diamino-[1,3,5]triazin-2-ylamino)-4-hydroxy-3-(2-sulfo-phenylazo)-naphthalene-2,7-disulfonic acid
+c1cc2c(cc1c3ccc4c(c3)nc5c(n4)C6=CC=C[N]7=C6C8=[N]([Ru]791([N]3=CC=Cc4c3c3c(cc4)C=CC=[N]93)[N]3=CC=Cc4c3c3c(cc4)C=CC=[N]13)C=CC=C58)nc1c(n2)C2=CC=C[N]3=C2C2=[N]([Ru]334([N]5=CC=Cc6c5c5c(cc6)C=CC=[N]35)[N]3=CC=Cc5c3c3c(cc5)C=CC=[N]43)C=CC=C12	RR2	(mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~4'~,n~5'~)[tetrakis(1,10-phenanthroline-kappa~2~n~1~,n~10~)]diruthenium
+CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)[C@@H](C)C(=O)O	RR5	(2~{s})-2-[(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid
+c1cc(c(cc1S(=O)(=O)O)N=Nc2c(cc3c(c2O)ccc(c3S(=O)(=O)O)Nc4ncnc(n4)Nc5ccc6c(c5S(=O)(=O)O)cc(c(c6O)/N=N/c7cc(ccc7O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O	RR6	3-hydroxy-7-(4-{1-[2-hydroxy-3-(2-hydroxy-5-sulfo-phenylazo)-benzyl]-2-sulfo-ethylamino}-[1,2,5]triazin-2-ylamino)-2-(2-hydroxy-5-sulfo-phenylazo)-napthalene-1,8-disulfonic acid
+C1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	RR7	2-deoxy-beta-d-arabino-hexopyranose
+CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl	RR8	(3r,4r)-1-methanesulfonyl-pyrrolidine-3,4-dicarboxylic acid 3-[(4-chloro-phenyl)-amide] 4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+C#CCN	RRA	prop-2-yn-1-amine
+c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3c(cc(c4)CO)N)O)O)N)O	RRB	[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
+CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3	RRC	r-roscovitine
+[C](=O)[Re+]([C]=O)([C]=O)([O])([O])[O]	RRE	fac-tricarbonyl-triaqua rhenium(i)
+CC(C)c1ccccc1c2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O	RRG	(2s)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid
+CC(C)c1ccccc1c2ccc(cc2)O[C@H](Cc3ccccc3)C(=O)O	RRH	(2r)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)Cl)O	RRJ	4-chloro-4-deoxy-alpha-d-galactopyranose
+c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N	RRK	(1r,2r)-1,2-diphenylethane-1,2-diamine
+CCCC[C@H]1CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(\C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C	RRM	(2e,4s,5s,6e,8e)-10-{(2r,3s,6s,8r,9s)-9-butyl-8-[(1e,3e)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
+C1(=C(NC(=O)NC1=O)C(=O)O)Br	RRO	5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(cc(c1)C(=N)N)CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl	RRP	3-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide
+CNc1cc(ccc1C(=O)O)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5	RRQ	4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-2-(methylamino)benzoic acid
+c1cc(sc1\C=C\S(=O)(=O)[N@]2CCN(C(=O)C2)Cc3cc4cnccc4[nH]3)Cl	RRR	4-{[(e)-2-(5-chlorothien-2-yl)vinyl]sulfonyl}-1-(1h-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
+CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O	RRS	n4-hydroxy-2-isobutyl-n1-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-yl)-succinamide
+c1ccc(cc1)C[C@H](CS)NC(=O)CC(=O)O	RRT	(r)-retro-thiorphan
+CC(C)(CO)[C@H](C(=O)NCC[C@H](Cc1ccccc1)O)O	RRV	(2r)-2,4-dihydroxy-n-[(3s)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide
+CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2c(cc(c3)CO)N)O)O)N	RRW	[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-4-methyl-pentanoyl]sulfamate
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C	RRX	(3r)-beta,beta-caroten-3-ol
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CCl)O)O)O)Cl	RRY	1,6-dichloro-1,6-dideoxy-beta-d-fructofuranose
+C=C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CC(=O)O	RRZ	2-[(1~{s},5~{s},6~{r})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid
+c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)CC3(CCOCC3)C(=O)NO	RS1	4-[4-(4-chloro-phenoxy)-benzenesulfonylmethyl]-tetrahydro-pyran-4-carboxylic acid hydroxyamide
+c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)CC(=O)NO	RS2	n-hydroxy-2-[4-(4-phenoxy-benzenesulfonyl)-tetrahydro-pyran-4-yl]-acetamide
+Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	RS3	1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl]-d-ribitol
+CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)O	RS4	7-ethyl-10-hydroxycamptothecin
+CCCCCCC#Cc1ccccc1\C=C\C(=O)O	RS7	(2e)-3-(2-oct-1-yn-1-ylphenyl)acrylic acid
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N	RS8	n-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-l-phenylalanine
+C#CCN[C@H]1CCc2c1cccc2	RSA	n-propargyl-1(s)-aminoindan
+C[C@@H](c1ccccn1)N2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4ccc5c(c4)scn5)COC	RSB	(1s,5s,6r)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
+C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@](CC3=C2C(C4=C(C3)C(=O)C5C=CC6C(=C5C4=O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@]6(O7)C)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@]([C@H]([C@@H](O9)C)O)(C)O)OC)(C)[N+](=O)[O-])[NH+](C)C)O)O)(C)O)OC)OC)(C)O)O	RSD	respinomycin d
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@@](=O)(OP(=O)(O)O)[SeH])O)OC	RSE	[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate
+C1CO[C@H]2C1[C@H](CO2)O	RSF	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-ol
+C1CO[C@@H]2[C@H]1[C@@H](CO2)O	RSG	(3s,3ar,6as)-hexahydrofuro[2,3-b]furan-3-ol
+C([C@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O	RSH	3-deoxy-d-lyxo-hexonic acid
+c1ccc(cc1)[C@H]([C@H](c2ccccc2)N)N	RSK	(1s,2r)-1,2-diphenylethane-1,2-diamine
+CC(=O)N[C@@H](CC[S@](=O)C)C(=O)NC	RSM	(2s)-2-(acetylamino)-n-methyl-4-[(r)-methylsulfinyl]butanamide
+c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)CO	RSN	(3~{s})-3-azanyl-4-[[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid
+c1ccc(cc1)[C@@H]2CO2	RSO	r-styrene oxide
+C1=CN(C(=S)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	RSP	4-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)pyrimidine-2(1h)-thione
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C=O	RSQ	5-formylcytidine 5'-(dihydrogen phosphate)
+CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O	RSS	5-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.013,18]nonadeca-12(19),13,15,17-tetraen-10-ylcarbamoyl)-hexanoic acid
+C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O)N)O	RST	3-amino-2,3,6-trideoxy-alpha-l-ribo-hexopyranose
+c1cc(nc2c1cc(cc2)c3ccsc3)N	RSV	6-(thiophen-3-yl)quinolin-2-amine
+Cc1cc2c3c(c4c5ccccc5n6c4c2[n+](c1)[Ru]678912([C@@H]4[C@H]7C8([C@H]9[C@H]1C24)C(=O)O)Cl)C(=O)NC3=O	RSW	[(1,2,3,4,5,6-eta)-(1s,2r,3r,4r,5s,6s)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5h-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~n~1~,n~12~)ruthenium(1+)
+C1C[C@H]2CC(C[C@H]2NC1)(P(=O)(O)O)P(=O)(O)O	RSX	(4as,7ar)-octahydro-1h-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)
+CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CCl)NC(=O)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C)NC(=O)c2ccccn2)O	RSY	n-[(2r)-1-{[(2s,3s)-5-{[(2r)-1-{[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)NCC#C)O)NC(=O)c3ccccn3	RSZ	n-[(2s)-1-{[(2s,3s)-3-hydroxy-5-oxo-5-{[(2r)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	RT	ribosylthymine-5'-monophosphate
+c1cc(ccc1c2cn(nn2)[C@H]3C[C@H](NC3)C(=O)O)F	RT0	(2s,4s)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid
+C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)N)O)C(=O)O	RT1	(2s)-3-[(s)-[(1r)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
+CCc1ccc(cc1)Cc2ccc3c(c2)[C@]4([C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC3	RT2	tofogliflozin
+Cc1ccc2c(c1)CCCN2C(=O)SCC(=O)Nc3ccc(cc3Cl)S(=O)(=O)N	RT3	s-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2h)-carbothioate
+c1cc(c(cc1S(=O)(=O)N)Cl)NC(=O)CSC(=O)N2CCCc3c2c(cc(c3)Cl)Cl	RT7	s-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2h)-carbothioate
+CC1CCC(CC1)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)Nc4ccncc4	RT8	nalpha-[(trans-4-methylcyclohexyl)carbonyl]-n-pyridin-4-yl-d-tryptophanamide
+C1CCN2C(C1)C3CCCC4N3[Ru+2]25(N6C4CCCC6)N7CCCCC7C8N5CCC=C8	RTA	(2,2':6',2''-terpyridine)-(2,2''-bipyridine) ruthenium (ii)
+C1=CC=[N]2C(=C1)C3=[N]4[Ru+2]25([N]6=C(C4=CC=C3)C=CC=C6)[N]7=C8C(=CC=C7)C=CC9=CC=C[N]5=C98	RTB	(2,2':6',2'-terpyridine)-(1,10-phenanthroline) ruthenium (ii)
+C(#O)[Re](C#O)C#O	RTC	rhenium (i) tricarbonyl
+c1ccc(cc1)[C@H](C(=O)O)S	RTD	(2r)-phenyl(sulfanyl)ethanoic acid
+Cn1c2cc(ccc2nc1COc3cccc(c3)C(=O)O)Oc4ccc(c(c4)F)Cl	RTE	3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1h-benzimidazol-2-yl]methoxy}benzoic acid
+Cc1cc(c(nc1)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C)C	RTF	3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
+C([C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	RTG	6-o-phosphono-alpha-l-idopyranose
+CC(C)(C)C#Cc1ccccc1c2ccc3c(c2)ccc(n3)N	RTH	6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine
+C[C@@H]1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C	RTJ	(7r)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+C[N+](C)(C)CCCP(=O)O	RTK	trimethyl(3-oxidanylphosphonoylpropyl)azanium
+CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C	RTL	retinol
+CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N	RTM	3-(2-aminoquinolin-3-yl)-n-cyclohexyl-n-methylpropanamide
+Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NC4CCCCC4	RTN	3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-n-cyclohexylpropanamide
+c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)C(=O)N	RTP	ribavirin triphosphate
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCC(=O)NCC(=O)N[C@@H](C(=O)N4CCCC[C@H]4C(=O)O2)C5CCCCC5	RTQ	(2r,5s,12r)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone
+c1cc(ccc1CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl)C(=N)N	RTR	4-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCC(=O)NC4(CC4)C(=O)N[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6	RTT	(2'r,5's,12'r)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone
+CC(=O)N[C@@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO	RTV	2-(acetylamino)-1,5-anhydro-2-deoxy-d-mannitol
+COc1ccccc1c2nc3c(n2C4CCCCC4)NC(=NC3=S)N	RTW	2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{h}-purine-6-thione
+CCN(CC)CCCCN1c2ccccc2Oc3c1cc(cc3)Cl	RTX	4-(2-chloro-10h-phenoxazin-10-yl)-n,n-diethylbutan-1-amine
+c1cc(ccc1C[C@@H]([C@H](CBr)O)N)OCCCC(=O)O	RTY	4-{4-[(2s,3r)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid
+C[N@]1CCCC[C@@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC	RTZ	10-{2-[(2r)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10h-phenothiazine
+[Ru+3]	RU	ruthenium ion
+CC1=O[Ru]234(=[Ru](O1)(O=C(O2)C)(O=C(O3)C)(OC(=O4)C)Cl)Cl	RU0	tetrakis(acetato)chloridodiruthenium(ii,iii)
+C(#[O+])[Ru+2]C#[O+]	RU1	bis(oxidaniumylidynemethyl)ruthenium(2+)
+C(#[O+])[Ru]([OH2+])([OH2+])([OH2+])([OH2+])[OH2+]	RU2	pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium
+C(=O)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(N)OC=O	RU3	ruthenium(6+) formate azanide tetraamino(formato-kappao)oxidoruthenate(1-) (1/1/4/1)
+CCNC(=O)Oc1ccc(cc1)c2csnn2	RU4	4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate
+c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)N)Oc4ccc(cc4)Cl	RU5	2-[4-(4-chlorophenoxy)phenyl]-1h-benzimidazole-6-carboxamide
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn5cc(nc5)c6cccnc6)C	RU6	(3as,4r,7r,8s,9s,10r,11r,13r,15r,15ar)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-1-[4-(4-pyridin-3-yl-1h-imidazol-1-yl)butyl]-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}tetradecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl 2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranoside
+CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl	RU7	para-cymene ruthenium chloride
+c1c2c3c4c(c1NC(=O)CI)C=CC=[N]4[Ru+2]56([N]3=CC=C2)([N]7=C(C=CC=C7)C8=[N]5C=CC=C8)[N]9=C(C=CC=C9)C1=CC=CC=[N]61	RU8	bis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)[2-iodo-n-(1,10-phenanthrolin-5-yl-kappa~2~n~1~,n~10~)acetamide]ruthenium(2+)
+c1cc(cc(c1)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(=O)N)O	RU9	2-(4-(3-hydroxyphenoxy)phenyl)-1h-benzo[d]imidazole-5-carboxamide
+CC1CCN2C(C1)C3CC(=CCN3[Ru]245(N6CCCCC6C7N4CCCC7)N8CCCCC8C9N5CCCC9)C	RUA	(4'-methyl-2,2'bipyridine)bis(2,2'-bipyridine)
+C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O	RUB	ribulose-1,5-diphosphate
+[CH]12=[CH]3[Ru]1456[CH]2=[CH]4[CH]5=[CH]63	RUC	(eta6-benzene)ruthenium
+Cc1ccc(cc1)CCC(=O)O.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl	RUD	[ethane6-3-(p-tolyl)propanoic acid]ru(1,3,5-triaza-7-phosphaadamantane)cl2
+c1cc(cc(c1)C(=O)O)CN(Cc2cccc(c2)C(=O)O)CC(=O)NO	RUE	3-[[(3-carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid
+CN1c2c(n(c(n2)N3CCNCC3)Cc4ccccc4Cl)C(=O)N(C1=O)C	RUF	7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1h-purine-2,6-dione
+c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	RUG	1-beta-d-glucopyranosyl-4-(hydroxymethyl)-1h-1,2,3-triazole
+C1C[N][Ru]23456([N]1)(C7=C2C38=C4(C5=C67)CC9=C(C8)CC=CC9)Cl	RUH	(ethane6-5,8,9,10-tetrahydroanthracene)ru(ii)(ethylene-diamine)cl
+c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)(C9=C5[C]6C7=C89)C#O	RUI	cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~c~10~,n~1~)ruthenium
+CN(CCC(=O)O)[N+](C)(C)C	RUJ	3-(1,1,1,2-tetramethylhydrazin-1-ium-2-yl)propanoate
+C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C7C(=CC=C6)c8c(nc9c1c2c3c(c9n8)C=CC=[N]3[Ru+2]36([N]2=CC=C1)([N]1=C(C=CC=C1)C1=[N]3C=CC=C1)[N]1=C(C=CC=C1)C1=[N]6C=CC=C1)C1=CC=C[N]4=C17)[N]1=CC=CC=C1C1=CC=CC=[N]51	RUL	tetrakis(2,2'-bipyridine-kappa~2~n~1~,n~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~n~4~,n~5~:2kappa~2~n~13~,n~14~)diruthenium(4+)
+c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCC[C@H](C3)N)Br)C#N	RUM	2-({2-[(3r)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6h)-yl}methyl)benzonitrile
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@@H](Cc2ccccc2)c3[nH]c(cn3)C(=O)C(C)C)O)NC(=O)OCc4ccccc4	RUN	2-[(1r,3s,4s)-1-benzyl-4-[n-(benzyloxycarbonyl)-l-valyl]amino-3-phenylpentyl]-4(5)-(2-methylpropionyl)imidazole
+O([Ru])([Ru])[Ru]	RUO	oxo-centered triruthenium cluster
+c1ccc(cc1)CCNC(=O)[C@@H](Cc2cccc(c2)C(=N)N)NC(=O)NC34CC5CC(C3)CC(C5)C4	RUP	(r)-2-(3-adamantan-1-yl-ureido)-3-(3-carbamimidoyl-phenyl)-n-phenethyl-propionamide
+S[Cu][S+]([Cu])[Cu]	RUQ	(dicuprio-$l^{3}-sulfanyl)-sulfanyl-copper
+CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Ru@@]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C	RUR	[3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~)dipropanoato(2-)]ruthenium
+C1=CN(C(=NC1=O)[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	RUS	1-(5-o-phosphono-beta-d-ribofuranosyl)-2-selanylpyrimidin-4(1h)-one
+C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O	RUT	rutin
+C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O	RUU	alpha-l-ribulofuranose
+CC(=O)Nc1ccc(cc1)C(=O)Nn2cnnc2	RUV	4-(acetylamino)-n-(4h-1,2,4-triazol-4-yl)benzamide
+Cc1nc2cc3c(cc2c(n1)N)C4=CC=CC=[N]4[Ru]3([C-]#[O+])C5(C=CC=C5)C(=O)Oc6c(cccc6OC)OC	RUX	[4-amino-2-methyl-6-(pyridin-2-yl-kappan)quinazolin-7-yl-kappac~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium
+C1CCN(CC1)c2c(non2)N	RUY	4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine
+c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)CO	RUZ	[(2~{r},3~{s},4~{r},5~{r})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
+c1cc(ccc1N)S(=O)(=O)NC(=O)C2CC2	RV1	n-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide
+c1cc(cc(c1)NC(=O)C(=O)Nc2ccc(cc2C(=O)O)Cl)c3ccoc3	RV2	5-chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid
+CC(=O)Nc1ccc(cc1)CN2CCOCC2	RV4	n-{4-[(morpholin-4-yl)methyl]phenyl}acetamide
+c1cc2c(cc1NC(=O)NCC(=O)N3CCCCC3)snn2	RV5	n-1,2,3-benzothiadiazol-6-yl-n'-[2-oxo-2-(1-piperidinyl)ethyl]urea also called unc-2327
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N	RV7	4-amino-4,6-dideoxy-alpha-d-glucopyranose
+C1[C@@H](O1)CN2C(=O)N(C(=O)N(C2=O)C[C@H]3CO3)C[C@H]4CO4	RV8	triglycidyl isocyanurate
+c1ccc(cc1)/C=C(/C(=O)O)\Oc2cccc(c2O)C(=O)O	RVA	3-{[(z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid
+CC(C)/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O	RVB	3-{[(1z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid
+c1cc(c(c(c1)O/C(=C\C2CC2)/C(=O)O)O)C(=O)O	RVC	3-{[(z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid
+CC/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O	RVD	3-{[(1z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid
+C=C(C(=O)O)Oc1cccc(c1O)C(=O)O	RVE	3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OC)OC)O	RVG	6-deoxy-2,3-di-o-methyl-beta-d-glucopyranose
+CCC[C@H](Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)NCC4CCCCC4	RVI	(2r)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-n-(cyclohexylmethyl)pentanamide
+C([C@@H](C(=O)O)N)NNN	RVJ	3-triazan-1-yl-l-alanine
+CO[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	RVK	adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere
+C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)OC)OC	RVM	4,6-dideoxy-2,3-di-o-methyl-alpha-d-xylo-hexopyranose
+c1ccc2c(c1)/C(=C\c3ccc4c(c3C(=O)O)OCO4)/C(=O)N2	RVN	5-[(e)-(2-oxidanylidene-1h-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
+c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N	RVP	ribavirin monophosphate
+Cc1ccnc(c1)C	RVV	2,4-dimethylpyridine
+C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)S)O)O)O)O	RVW	(2~{s},3~{r},4~{r},5~{s},6~{s})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol
+CC(C)CO[P@](=O)(C)OC[C@@H](C(=O)O)N	RVX	o-[methyl(2-methylpropoxy)phosphoryl]-l-serine
+C[C@@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3	RVY	(5s)-5-methyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione
+c1ccc(cc1)c2c(c(nc(c2C#N)SCc3[nH]ccn3)N)C#N	RVZ	2-azanyl-6-(1~{h}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile
+c1ccc(cc1)c2ccncn2	RW1	4-phenylpyrimidine
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O	RW2	(1s)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid
+CC(=O)Nc1nc2ccc(cc2s1)c3c4c(ncnc4n(n3)Cc5cc6ccccc6nc5N7CCN(CC7)C)N	RW3	n-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide
+CN1CCN(CC1)c2c(cc3ccccc3n2)Cn4c5c(c(n4)c6ccc7c(c6)sc(n7)N)c(ncn5)N	RW4	3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCC[C@]1(C(=O)Nc2ccccc2C(=O)N1C)C	RW7	(3s)-3,4-dimethyl-3-propyl-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione
+COC(=O)CCC(=O)N1CCc2c1cccc2	RW8	methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
+C[C@]1(C(=O)C(C(=O)N1)(C)C)Cc2cn(nn2)c3ccccc3	RWA	(5r)-3,3,5-trimethyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione
+COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	RWB	dodecaethylene glycol monomethyl ether
+C[C@]1([C@H](CC(=O)N1)O)Cc2cn(nn2)c3ccccc3	RWD	(4s,5r)-4-hydroxy-5-methyl-5-[(1-phenyl-1h-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one
+CC(=O)C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O	RWF	r-warfarin
+C[C@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3)F	RWG	(5r)-5-{[1-(4-fluorophenyl)-1h-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione
+CN(CCc1ccccc1)C(=O)Nc2cccc(c2)S(=O)(=O)N	RWH	3-(3-methyl-3-phenethylureido)benzenesulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)NC(=O)NO)O)O)O	RWI	(2s)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-d-glucopyranosyl}oxy)butanedioic acid
+c1ccc2c(c1)nc(s2)C(=O)[C@H](CCCNC(=N)N)NC(=O)C3CCCC3	RWJ	cyclopentanecarboxylic acid [1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide
+C[C@@]1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3	RWM	(5s)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione
+COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F	RWP	methyl 4-[(trifluoroacetyl)amino]benzoate
+Cc1nnc(s1)N2CCCCC2	RWS	1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine
+Cc1nc(cs1)CN2CCC(CC2)CN	RWV	1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
+Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2OC)c3nc(c(s3)C(=O)O)c4ncnn4C)Br)Cl	RWX	2-[(3s,4r)-4-[(3-bromanyl-4-chloranyl-5-methyl-1h-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid
+c1ccc(cc1)Oc2ccc(cc2)OCCSC#N	RWY	2-(4-phenoxyphenoxy)ethyl thiocyanate
+CC(=CCC/C(=C\CNCCNC1C2CC3CC(C2)CC1C3)/C)C	RWZ	n-[(2z)-3,7-dimethylocta-2,6-dien-1-yl]-n'-[(1r,3s,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine
+COCCCC[C@@](c1ccccc1c2ccccc2)([C@@H]3CCCN(C3)C(=O)[C@H]4C[C@H]([C@H](C4)O)N)O	RX0	[(1s,3r,4s)-3-amino-4-hydroxycyclopentyl]{(3r)-3-[(1s)-1-(biphenyl-2-yl)-1-hydroxy-5-methoxypentyl]piperidin-1-yl}methanone
+c1ccc(cc1)CC(NC(=O)OCc2ccccc2)[P@](=O)(C3CCC[C@H]3C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)O	RX3	n-({(1s,2r)-2-[(s)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]cyclopentyl}carbonyl)-l-trypt ophan
+C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C)O)C(=O)N[C@@H](C)C(=O)N	RX4	n~2~-acetyl-n-{(1r)-1-[(s)-[(2s)-3-{[(2s)-1-amino-1-oxopropan-2-yl]amino}-2-methyl-3-oxopropyl](hydroxy)phosphoryl]-2-phenylethyl}-l-alpha-asparagine
+CN[C@@H](C[C@H]1CCCOC1)CNC(=O)N2CCC[C@H](C2)[C@H](c3cccc(c3)Cl)OCCNC(=O)OC	RX5	methyl (2-{(r)-(3-chlorophenyl)[(3r)-1-({(2s)-2-(methylamino)-3-[(3r)-tetrahydro-2h-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl] methoxy}ethyl)carbamate
+CNC[C@H](C[C@H]1CCCOC1)NC(=O)N2CCC[C@H](C2)[C@H](c3cccc(c3)Cl)OCCNC(=O)OC	RX6	methyl (2-{(r)-(3-chlorophenyl)[(3r)-1-({(2s)-1-(methylamino)-3-[(3r)-tetrahydro-2h-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate
+Cc1ccsc1CNC(C)(C)CO	RX7	2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol
+CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N	RX8	1-[4-amino-2-(ethoxymethyl)-1h-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
+c1ccc2c(c1)C(=O)C(=O)NC2=O	RXA	isoquinoline-1,3,4(2h)-trione
+CC(=O)O[C@@H](c1ccccc1)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O	RXB	(1s)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
+CC(=O)O[C@@H](c1cccc(c1)Cl)C(=O)Nc2cccc3c2C(=O)C(=O)NC3=O	RXC	(1s)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
+c1cc(cc(c1)OCCF)NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O	RXD	n-[3-(2-fluoroethoxy)phenyl]-n'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
+c1cc(c(cc1CCNC(=O)CCC(=O)NCCCCn2cnc3c2c(c(c(c3Br)Br)Br)Br)Cl)Cl	RXE	~{n}'-[2-(3,4-dichlorophenyl)ethyl]-~{n}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide
+c1ccn(c1)C(=O)COc2ccc(cc2)F	RXG	2-(4-fluorophenoxy)-1-(1h-pyrrol-1-yl)ethan-1-one
+C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)OC	RXH	naproxen methyl ester
+CN1CCN(CC1)c2ccc(cc2)C#N	RXJ	4-(4-methylpiperazin-1-yl)benzonitrile
+C1CCC(CC1)C(=O)O	RXK	cyclohexanecarboxylic acid
+Cc1ccn2c(c1)nc3c2c4c(c5c3c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O	RXM	(2s,16z,18e,20s,21s,22r,23r,24r,25s,26r,27s,28e)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,1 5-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-2 5-yl acetate
+CN1c2ccc(cc2OC[C@@H](C1=O)N3CCc4c(nn(c4C(=O)N)Cc5ccccc5)C3=O)Cl	RXN	(s)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2h-pyrazolo[3,4-c]pyridine-3-carboxamide
+c1cc(c(cc1[AsH2])[N+](=O)[O-])O	RXO	4-arsanyl-2-nitrophenol
+c1ccc(cc1)CCC[C@H](C[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N	RXP	1-benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(1h-indol-3-yl)-ethylcarbamoyl]-5-phenyl-pentyl}-phosphinic acid
+c1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)c5ccc(cc5)Cl)F	RXQ	n-[3-[5-(4-chlorophenyl)-1h-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide
+CC1(C(=C(C(N1[O])(C)C)CS)CS)C	RXR	[2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1h-pyrrol-1-yl]oxidanyl radical
+Cc1nccn1Cc2cccc(c2)C#N	RXS	3-[(2-methyl-1h-imidazol-1-yl)methyl]benzonitrile
+c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4	RXT	(3r)-3-cyclopentyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]propanenitrile
+COc1ccc2c(c1)c(c(cn2)C#N)CCN3CCC(CC3)NCc4cc5c(cn4)OCS5	RXV	6-methoxy-4-(2-{4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]piperidin-1-yl}ethyl)quinoline-3-carbonitrile
+B(c1cc2c(cc1C)cn[nH]2)(O)O	RXW	(5-methyl-1h-indazol-6-yl)boronic acid
+CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN	RXY	(7z,19r,22r)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9z)-octadec-9-enoate
+c1ccnc(c1)CN2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(o4)c5ccncc5)C(F)(F)F	RXZ	sphinx31
+C1C=C(NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N	RY	5'-3,6-dihydrocytidylic acid
+B(c1cccc(c1)c2n[nH]nn2)(O)O	RY2	(3-(1h-tetrazol-5-yl)phenyl)boronic acid
+CS(=O)(=O)Nc1ccc(cc1)CN	RY4	n-[4-(aminomethyl)phenyl]methanesulfonamide
+c1cc2c(cc1Cl)CC[C@@]23C(=O)N(C(=O)N3)Cc4ccon4	RY5	(3~{s})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	RY7	4,6-dideoxy-4-{[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranose
+Cc1cc(cc(c1C)NC(=O)c2ccc(cc2)c3csc(n3)C)S(=O)(=O)N	RY8	n-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methylthiazol-4-yl)benzamide
+C[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F)C	RYA	(7~{r})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{h}-pteridin-6-one
+Cn1c2ccc(cc2nn1)CO	RYD	(1-methylbenzotriazol-5-yl)methanol
+CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O	RYE	hydrolyzed ceftazidime
+c1cc(oc1)C(=O)N[C@@H]2CCCCNC2=O	RYG	~{n}-[(3~{r})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide
+c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N	RYJ	4-sulfamoyl-n-(2,2,2-trifluoroethyl)benzamide
+CCNC(=O)N1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5CO4)OC)OC)OC)OCO3	RYK	(5~{r})-5-[(1~{s})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{n}-ethyl-4-methoxy-7,8-dihydro-5~{h}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
+c1ccc2c(c1)ncn2Cc3ccc(cc3)C#N	RYM	4-(benzimidazol-1-ylmethyl)benzenecarbonitrile
+CCNc1nc(nc(n1)SC)NC(C)C	RYN	n-ethyl-n'-(1-methylethyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
+CNCc1ccncc1	RYP	~{n}-methyl-1-pyridin-4-yl-methanamine
+C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O	RYS	6-[(3~{s},4~{r})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{s})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	RYT	pentadecaphosphate
+C[C@@]1(c2ccccc2NC1=C3c4cc(ccc4NC3=O)S(=O)(=O)N5CCC(CC5)O)O	RYU	(2e,3s)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'h)-one
+CCNC(=O)c1ccc(cc1)S(=O)(=O)N	RYV	n-ethyl-4-sulfamoylbenzamide
+C[C@H](C(=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	RYW	(2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide
+c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(=O)(=O)N	RYX	n-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide
+CCCNC(=O)c1ccc(cc1)S(=O)(=O)N	RYY	n-propyl-4-sulfamoylbenzamide
+c1cc(ccc1C(=O)NCC(C(C(F)(F)F)(F)F)(F)F)S(=O)(=O)N	RYZ	n-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide
+CCCCNC(=O)c1ccc(cc1)S(=O)(=O)N	RZ0	n-butyl-4-sulfamoylbenzamide
+c1cc(ccc1C(=O)NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N	RZ1	n-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide
+CC(C)(C)OC[C@@H](C(=O)O)N	RZ4	o-tert-butyl-l-serine
+CCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N	RZ5	n-pentyl-4-sulfamoylbenzamide
+c1cc(ccc1C(=O)NCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N	RZ7	4-sulfamoyl-n-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide
+CCCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N	RZ8	n-hexyl-4-sulfamoylbenzamide
+C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O	RZA	6-[(3~{r},4~{s})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+c1cc(ccc1c2nnn(n2)C[C@@H](CC(=O)O)N)Oc3ccc(cc3)Cl	RZB	(3~{r})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
+CC(=O)N[C@H](C[N@@]1CCC[C@H]1C(=O)NCCc2c[nH]c3c2cccc3)COP(=O)(O)O	RZD	(2r)-2-(acetylamino)-3-[(2s)-2-{[2-(1h-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate
+c1cc(ccc1c2nnn(n2)C[C@H](CC(=O)O)N)Oc3c(cc(cn3)Cl)F	RZE	(3~{s})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
+COC(=O)c1ccc(cc1)S(=O)(=O)N	RZG	methyl 4-sulfamoylbenzoate
+CCc1cc(cc2c1[nH]c(c2CCN)C)Br	RZH	2-(5-bromo-7-ethyl-2-methyl-1h-indole-3-yl)ethan-1-amin
+CN1CCCc2c1cc(cc2)S(=O)(=O)N	RZJ	1-methyl-3,4-dihydro-2~{h}-quinoline-7-sulfonamide
+COc1ccc(cc1)c2nnn(n2)CCN	RZK	2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
+C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	RZM	(2r,3r,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-d-glucopyranoside
+c1ccc(cc1)Oc2ccc(cc2)CO	RZN	(4-phenoxyphenyl)methanol
+CC(=O)N[C@@H](CCC(=O)O)[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O	RZP	(2~{s})-2-[[[(1~{r})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
+CCNc1ccc(cn1)C#N	RZS	6-(ethylamino)pyridine-3-carbonitrile
+CC(=O)N[C@@H](CCC(=O)O)P(=O)(C[C@@H](CCC(=O)O)C(=O)O)O	RZV	(2~{s})-2-[[[(1~{r})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid
+CC1=CC(=O)N(c2c1c(c(cc2OC)OC)OC)C	RZW	5,6,8-trimethoxy-1,4-dimethylquinolin-2(1h)-one
+Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCCCOC	RZX	2-[(r)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1h-benzimidazole
+C[C@@H](NC(=O)C)[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O	RZY	(2~{s})-2-[[[(1~{s})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
+B1(c2cc(ccc2CO1)C(=O)O)O	RZZ	1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid
+S	S	sulfur atom
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc4ccccc4)\\N	S00	n-(benzylsulfonyl)-3-cyclohexyl-d-alanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+Cc1cc2c(nc1)C(=C3CCN(CC3)C(=O)Cc4ccncc4)c5ccc(cc5CC2)Cl	S01	1-[4-(8-chloro-3-methyl-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-2-pyridin-4-yl-ethanone
+C1CC(=CC=C2CCC(CC2)OCCOP(=O)(O)O)CCC1OCCO	S02	phosphoric acid mono-[2-(4-{2-[4-(2-hydroxy-ethoxy)-cyclohexylidene]-ethylidene}-cyclohexyloxy) -ethyl] ester
+COc1cccc(c1)c2cn(c3c2c(ncn3)N)c4ccc(cc4)CN5CCC(CC5)O	S03	1-{4-[4-amino-5-(3-methoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-ol
+c1ccc(cc1)CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4CN)Cl	S04	n-(benzylsulfonyl)-3-cyclohexyl-d-alanyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide
+c1ccc2c(c1)CCCN2C(=O)N3CCC(CC3)c4cnc[nH]4	S05	3,4-dihydroquinolin-1(2h)-yl[4-(1h-imidazol-5-yl)piperidin-1-yl]methanone
+c1ccc2cc(ccc2c1)C3C[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)ON3	S06	(3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
+Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2	S07	2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone
+B1(c2cc(ccc2[C@@H](O1)CC(=O)O)C(=O)N[C@H](c3ccccc3)C(=O)N)O	S08	2-(6-(((r)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
+C[C@H](C1CC1)NC(=O)Nc2ccccc2	S0A	1-[(1r)-1-cyclopropylethyl]-3-phenylurea
+C[C@@H]1CN=C(S1)NCCc2ccccc2	S0B	(5r)-5-methyl-n-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
+c1csc(n1)NC(=O)CC2CCCC2	S0C	2-cyclopentyl-n-(1,3-thiazol-2-yl)acetamide
+Cn1cc(cn1)c2[nH]c3ccccc3n2	S0D	2-(1-methyl-1h-pyrazol-4-yl)-1h-benzimidazole
+c1cc2c(cc1C(F)(F)F)sc(n2)N	S0E	6-(trifluoromethyl)-1,3-benzothiazol-2-amine
+c1cc(ccc1Cc2cnc(s2)N)Br	S0F	5-(4-bromobenzyl)-1,3-thiazol-2-amine
+CN1C(=C(C(=O)NC1=O)N2CCCCC2)N	S0G	6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1h,3h)-dione
+C[C@@H](CP(=O)(O)O)O	S0H	(s)-2-hydroxypropylphosphonic acid
+c1ccc(cc1)CN2CC(=O)Nc3c2cccc3	S0I	4-benzyl-3,4-dihydroquinoxalin-2(1h)-one
+Cc1cc(c(n1C[C@H]2CCCO2)C)c3csc(n3)N	S0J	4-{2,5-dimethyl-1-[(2r)-tetrahydrofuran-2-ylmethyl]-1h-pyrrol-3-yl}-1,3-thiazol-2-amine
+c1ccc(c(c1)NC(=O)c2ccsc2)N3CCOCC3	S0K	n-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
+c1cc(cc(c1)NC(=O)c2cc(ccn2)n3cc(nc3)C4CC4)c5nncn5C6CC6	S0L	4-(4-cyclopropyl-1h-imidazol-1-yl)-n-[3-(4-cyclopropyl-4h-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
+CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O	S0N	o-succinylbenzoyl-n-coenzyme a
+CC(=O)Nc1ccc(cc1)C#N	S0P	~{n}-(4-cyanophenyl)ethanamide
+B1(c2cc(ccc2[C@@H](O1)CC(=O)O)C(=O)NCC(=O)N3CCN(C(=O)C3)C)O	S0Q	2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
+c1cc(cnc1)CN[C@H]2CS(=O)(=O)C[C@@H]2O	S0S	(3~{r},4~{r})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol
+c1c(nns1)C(=O)N2CCOCC2	S0V	morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone
+c1cc(ccc1CCC(=O)O)Cl	S0W	3-(4-chlorophenyl)propanoic acid
+Cc1ccc2c(c1)c(c(o2)C#C)CC(=O)O	S0Y	2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid
+B1(c2cc(ccc2CO1)C(=O)N[C@H](c3ccccc3)C(=O)OC)O	S0Z	methyl (r)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate
+CCOC(=O)NCCCNC(=O)OCC	S10	diethyl propane-1,3-diylbiscarbamate
+CC(C)c1c(n(c(n1)COC(=O)N)Cc2ccncc2)Sc3cc(cc(c3)Cl)Cl	S11	5-(3,5-dichlorophenyl)thio-4-isopropyl-1-(pyridin-4-yl-methyl)-1h-imidazol-2-yl-methyl carbamate
+CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)O	S12	o-[(s)-hydroxy{[(2s)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-l-serine
+Cc1ccc(cc1)C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2	S13	(3s,5r,7r,8s,9s,10r)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
+CN(C)C(=O)[C@@H](c1ccc(cc1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CC[C@@H](C4)F)N	S14	6-(4-{(1s,2s)-2-amino-1-[(dimethylamino)carbonyl]-3-[(3s)-3-fluoropyrrolidin-1-yl]-3-oxopropyl}phenyl)-1h-[1,2,4]triazolo[1,5-a]pyridin-4-ium
+c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Cl)C(=O)O	S16	3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid
+COC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)CCCCCCC(=O)NO	S17	methyl 4-bromo-n-[8-(hydroxyamino)-8-oxooctanoyl]-l-phenylalaninate
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)N=[N+]=[NH-])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	S18	[n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)copper
+Cc1ccc(cc1)Nc2c(cnc(n2)N[C@@H]3CCOC[C@@H]3N)C(=O)N	S19	2-{[(3r,4r)-3-aminotetrahydro-2h-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide
+C[C@H]1\C=C\[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)C)c3ccccc3)OC)OC	S1A	soraphen a
+B1(c2cc(ccc2CO1)C(=O)N3CCN(C(=O)C3(C)C)C)O	S1B	4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one
+CC(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O	S1C	3-(4-acetamidophenyl)benzoic acid
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)F	S1D	3-(4-fluorophenyl)benzoic acid
+B1(c2cc(ccc2CO1)C(=O)N(Cc3ccccc3)Cc4ccccc4)O	S1E	n,n-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide
+c1ccc(cc1)CNc2ccc(cc2)C(=O)O	S1G	4-[(phenylmethyl)amino]benzoic acid
+CCCCCCCCCCCCCCCCS(=O)(=O)OC[C@@H](C(=O)O)N	S1H	1-hexadecanosulfonyl-o-l-serine
+c1cc(cnc1)CNc2ccc(cc2N)C(=O)O	S1J	3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid
+B1(c2ccc(cc2[C@@H](O1)CC(=O)O)OCc3ccccc3)O	S1K	2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid
+CC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC	S1M	methyl 2-[(2~{s})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate
+C/C(=C\CCCC=O)/CCC=O	S1N	(~{e})-4-methylnon-4-enedial
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O	S1P	(2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
+CN1C(=N/C(=C\c2ccc(cc2OC)O)/C1=O)/C=C/c3ccncc3	S1Q	(5~{z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{e})-2-pyridin-4-ylethenyl]imidazol-4-one
+c1ccc2c(c1)cccc2C[C@@H]3C\C=C\[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O	S1S	2-(4-((9s,10s,14s,z)-18-(2-amino-2-oxoethyl)-9-(carboxymethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl)phenyl)malonic acid
+Cc1c(sc(c1Cc2cnc(nc2N)C)[C@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O	S1T	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1s)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate
+CC(=O)N1CCC(CC1)C#N	S1V	1-ethanoylpiperidine-4-carbonitrile
+CN(C)c1cccc(c1)Oc2cnc(nc2)Nc3cccc(c3)O	S1W	3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol
+C1C[C@@H](CC[N@](C1)CCN)NC(=O)N2CC[C@H]([C@H]2C=O)NS(=O)(=O)O	S1Y	[(2s,3r)-1-{[(4s)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-2-formylpyrrolidin-3-yl]sulfamic acid
+CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc4c(c3)c[nH]n4	S1Z	(2~{r})-2-[[3-(2~{h}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
+Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)O	S20	(1s)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol
+c1cc(ccc1C(=O)CC(=O)C(F)(F)F)[N+](=O)[O-]	S21	4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione
+CC(C)S(=O)(=O)c1ccccc1Nc2cc(nc3c2cc[nH]3)Nc4ccc(cc4OC)N5CCC(CC5)O	S22	1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1h-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol
+C[C@H](N)[P@@](=O)(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)O	S23	n-{(2s)-3-[(1r)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-l-phenylalanine
+c1cc(c(cc1O)O)SC(=O)O	S24	s-(2,4-dihydroxyphenyl) hydrogen thiocarbonate
+c1cnc(cc1N2CCOCC2)Nc3ncc(s3)c4cc(cnc4)C(=O)NCCN	S25	n-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide
+CCOC(=O)C1=C(C(=O)N([C@@H]1c2cccs2)c3nc4ccc(cc4s3)Cl)O	S26	ethyl (2~{s})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{h}-pyrrole-3-carboxylate
+CC(C)C[C@H](C(=O)NO)[N@@](Cc1ccccc1)[P@@](=O)(C)c2ccccc2	S27	n-[[2-methyl-4-hydroxycarbamoyl]but-4-yl-n]-benzyl-p-[phenyl]-p-[methyl]phosphinamid
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)Cc3ccccc3)\\N	S28	n-(benzylsulfonyl)glycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)Cc3ccccc3)\\N	S29	n-(benzylsulfonyl)-d-alanyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2c3cc4ccccc4cc3[C@@H]5[C@H]2C=C[C@]56c7cc(ccc7C=CC6=O)OC)NC)O)O	S2A	(1r,3a's,10's,10a'r)-7-methoxy-2-oxo-10',10a'-dihydro-2h,3a'h-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-alpha-d-galactopyranoside
+[B-]1(c2ccc(cc2C(=O)O1)/C=C/c3ccc4c(c3)C(=O)O[B-]4(O)O)(O)O	S2B	3-[(~{e})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one
+[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O	S2C	s-2-(boronoethyl)-l-cysteine
+C[C@H](C(=O)O)NC(=O)c1ccccc1	S2D	n-benzoyl-d-alanine
+C(CC(=O)O)[C@@H](C(=O)O)O	S2G	(2s)-2-hydroxypentanedioic acid
+SS	S2H	hydrogen disulfide
+c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCCO	S2I	3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol
+CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)OC	S2J	methyl 2-[(2~{r})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate
+C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N	S2K	(2~{s},6~{s})-2-azanyl-6-[[(4~{r})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid
+c1cc(c(cc1O)Cl)/C=C/c2cc(cc(c2)O)O	S2L	5-[(e)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
+CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC	S2M	2'-o-[2-(methoxy)ethyl]-2-thiothymidine-5'-monophosphate
+CCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)OC)O)O	S2N	s-[2-({n-[(2r)-2-hydroxy-4-{[(s)-hydroxy(methoxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] (3r)-3-hydroxydodecanethioate
+c1cc(ccc1CCO)S(=O)(=O)N	S2O	4-(2-hydroxyethyl)benzenesulfonamide
+C(c1c(nsn1)O)[C@@H](C(=O)O)N	S2P	(2s)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid
+C[C@H](c1cccc(c1)S(=O)(=O)N)NC(=O)c2cc3c(noc3nc2)C(C)C	S2Q	3-propan-2-yl-~{n}-[(1~{r})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
+CS(=O)(=O)Nc1ccc(cc1)C(=O)N	S2S	4-(methylsulfonylamino)benzamide
+CC(=O)O[C@@H](c1ccccc1Cl)C(=O)O	S2T	(2s)-(acetyloxy)(2-chlorophenyl)ethanoic acid
+CN1CCC(CC1)OC(=O)c2cccc(c2)F	S2V	(1-methylpiperidin-4-yl) 3-fluoranylbenzoate
+Cc1nc2ccccc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F	S2W	~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine
+CC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O	S2X	2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid
+COc1ccc(cc1)NCc2ccc(cc2)F	S2Y	~{n}-[(4-fluorophenyl)methyl]-4-methoxy-aniline
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccccc3)OC)OC	S2Z	6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-phenylethyl]quinazolin-4-amine
+Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)C#CCO)c(ncn5)N	S30	2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)(N=[N+]=[NH-])[O])CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	S31	[n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}propyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	S32	[n-(3-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}propyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper
+COc1ccc(cc1Cl)S(=O)(=O)N[C@@H](CC(=O)NCc2ccc(cc2)C#N)C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4CN)Cl	S33	(2s)-n-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2s)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide
+c1cnccc1CNC(=O)CC#N	S34	2-cyano-~{n}-(pyridin-4-ylmethyl)ethanamide
+Cc1ccccc1[C@H](CC(=O)O)NC(=O)c2cc(n(n2)c3ccccc3F)OC[C@@H](C(C)(C)C)O	S35	(3s)-3-({[1-(2-fluorophenyl)-5-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-1h-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid
+CC(C)c1cc(c(cc1O)O)C(=O)N2CCc3ccccc3C2	S36	3,4-dihydroisoquinolin-2(1h)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone
+CC(=O)N[C@@H](CCP(=O)(C[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O	S37	(2~{s})-2-[[[(3~{s})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid
+c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)c3ccc(cc3)C#N	S38	4-cyano-n-[(1s,2r)-2-phenylcyclopropyl]benzamide
+CC(=O)N[C@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)C(=O)O	S3A	(2~{s})-2-[[[(3~{r})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
+CCC(=O)Oc1c(cccc1C(=O)O)C	S3B	3-methyl-2-(propanoyloxy)benzoic acid
+c1cc(c(c(c1Cl)/C=C(/C(=O)O)\S)Cl)Cl	S3C	(2z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid
+[O][Fe]1[S]([Fe]2[S]1[Fe]S2)[Fe]	S3F	oxidized [fe4-s3] cluster
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccncc3	S3G	5-[(2s)-4-methyl-2-[(pyridin-4-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid
+SSS	S3H	trisulfane
+c1ccc(cc1)C2CCN(CC2)CC(=O)O	S3J	2-(4-phenylpiperidin-1-yl)ethanoic acid
+Cn1c(cc(n1)CO)c2ccccc2	S3M	(1-methyl-5-phenyl-pyrazol-3-yl)methanol
+c1cc(ccc1C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O)C(F)(F)F	S3N	7-[(3s,4r)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one
+Cc1cccc(c1C)c2c3c(cc(n2)NC(=O)C)NCCC3	S3O	n-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
+C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O	S3P	shikimate-3-phosphate
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)C(F)(F)F)OC)OC	S3Q	6,7-dimethoxy-2-methyl-~{n}-[(1~{r})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
+CCOC(=O)Cc1ccncc1	S3S	ethyl 2-pyridin-4-ylethanoate
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)N)OC)OC	S3T	~{n}-[(1~{r})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
+c1cnccc1C(=O)O	S3V	pyridine-4-carboxylic acid
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CNC(=O)CCC(=O)N[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O	S3W	n-[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]-n'-[(1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxytetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]butanediamide
+c1cc(ccc1N2C[C@@H](NN2)CO)Cl	S3Y	[(4s)-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol
+Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)OC)OC	S3Z	~{n}-[(1~{r})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine
+Cc1ccc(cc1NS(=O)(=O)c2ccc(cc2)C3CC3)C(=O)NCc4cccnc4	S40	3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-n-(pyridin-3-ylmethyl)benzamide
+Cc1cc2c(o1)cc(cc2Oc3cnc(nc3)C(=O)N(C)C)C(=O)Nc4cnc(cn4)C	S41	n,n-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide
+Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)CN	S42	6-[(2r)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine
+CC(C)[C@H]1C(=O)NCCCCCCCCCCCOC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccccc2	S43	(4~{s},5~{s},9~{s})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione
+CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O	S44	(2s)-2-(4-propoxy-3-{[({4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid
+c1cc(ccc1c2nc(on2)[C@@H]3CCCNC3)Cl	S45	(3r)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine
+CN1CCN(CC1)C(=O)c2ccc(cc2)O	S46	(4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone
+c1ccc2c(c1)cccc2CC(=O)O[C@H]3CNC[C@@H]3OC(=O)Cc4cccc5c4cccc5	S47	(3s,4s)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate)
+Cn1cc(nc1)S(=O)(=O)[N@@](CC(=O)OC)[C@H]2Cc3cc(ccc3N(C2)Cc4cncn4C)c5ccccc5	S48	methyl n-{(3s)-1-[(1-methyl-1h-imidazol-5-yl)methyl]-6-phenyl-1,2,3,4-tetrahydroquinolin-3-yl}-n-[(1-methyl-1h-imidazol-4-yl)sulfonyl]glycinate
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)Cc4ccccc4)\N	S49	(2s)-n-[(4-carbamimidoylphenyl)methyl]-1-[(2r)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](S3)COP(=O)(O)O)O)N	S4A	2'-deoxy-4'-thioadenosine 5'-(dihydrogen phosphate)
+B(c1ccc(cc1)/C=C/c2cc(cc(c2)O)O)(O)O	S4B	{4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](S2)COP(=O)(O)O)O)O	S4C	4'-thio-4'-deoxy-cytosine-5'-monophosphate
+C[C@H]1CC[C@H](C1)NCc2ccc3c(c2)OCO3	S4D	(1r,3s)-n-[(2h-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine
+COc1cc2c(cc1OCC3CCNCC3)c(ncn2)Nc4cnc(nc4)OCCC5CC5	S4E	n-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](S3)COP(=O)(O)O)O)N=C(NC2=O)N	S4G	2'-deoxy-4'-thioguanosine 5'-(dihydrogen phosphate)
+SS(=S)S	S4H	trithiosulfurous acid
+CC1=C(C(=O)N(N1C)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4c(c[nH]5)c6ccccc6	S4K	1-(4-fluorophenyl)-n-[3-fluoro-4-[(3-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
+C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	S4M	5'-[(s)-(3-aminopropyl)(methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine
+C[C@@H]1CN(CCN1)c2cnc(nc2NC3CCOCC3)Nc4cc(c(c(c4)F)OCC5CC5)F	S4N	(r)-n2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-n4-(tetrahydro-2h-pyran-4-yl)pyrimidine-2,4-diamine
+SSSS	S4P	dihydrogen tetrasulfide
+CNc1c2c(nc(n1)OC3CCCC3)n(cn2)Cc4c(cccc4F)F	S4Q	2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-n-methyl-9h-purin-6-amine
+c1cc(ccc1NC(=O)Nc2ccc(c(c2)C(F)(F)F)CN3CCn4ccnc4C3)Oc5cc(ncn5)NC(=O)C6CC6	S4T	n-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide
+C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	S4U	4-thiouridine-5'-phosphate
+c1ccc(c(c1)N)Nc2ccccn2	S4V	~{n}2-pyridin-2-ylbenzene-1,2-diamine
+CN(Cc1ccc2nccn2c1)c3nnc(o3)c4ccc(cc4)c5ccccc5Cl	S4W	5-(2'-chloro-[1,1'-biphenyl]-4-yl)-n-(imidazo[1,2-a]pyridin-6-ylmethyl)-n-methyl-1,3,4-oxadiazol-2-amine
+c1cc(ccc1[C@H]2CC[C@H](O2)C(=O)NN)Cl	S4Y	(2r,5s)-5-(4-chlorophenyl)oxolane-2-carbohydrazide
+CNC(=O)c1c(nc(s1)N2CC3CC2(C3)CNC(=O)c4c[nH]c5c4cc(cn5)Cl)C(F)(F)F	S4Z	2-(1-((5-chloro-1h-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-n-methyl-4-(trifluoromethyl)thiazole-5-carboxamide
+c1ccc(cc1)Cc2c(c3ccccc3n2c4ccccc4)C(=O)N5CCNCC5	S51	2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indole
+c1ccc(cc1)n2c3ccccc3c(c2Oc4ccccc4)C(=O)N5CCNCC5	S52	2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indole
+Cc1ccc(cc1Oc2c(c3ccnc(c3n2c4ccccc4)Cc5ccccc5)C(=O)N6CCNCC6)F	S53	[7-benzyl-2-(5-fluoro-2-methylphenoxy)-1-phenyl-1h-pyrrolo[2,3-c]pyridin-3-yl](piperazin-1-yl)methanone
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NS(=O)(=O)Cc3ccccc3)\\N	S54	n-(benzylsulfonyl)-d-valyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+CC[C@@H]1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)C[C@H]3c4c(c5ccccc5[nH]4)CCN3	S55	methyl (2s,3r,4s)-3-ethyl-2-(beta-d-glucopyranosyloxy)-4-[(1s)-2,3,4,9-tetrahydro-1h-beta-carbolin-1-ylmethyl]-3,4-dihydro-2h-pyran-5-carboxylate
+CC(C)NC(=O)[C@@H](Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Oc4ccccc4)C#N	S56	(2s)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-n-(propan-2-yl)propanamide
+COc1ccc(c(c1)Cl)OCCCCCCn2ccnc2	S57	1-[6-(2-chloro-4-methyxyphenoxy)-hexyl]-imidazole
+c1cc(ccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F)Br	S58	1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenylpyrazole
+c1cc(ccc1CCC(=O)O)c2ccc(cc2)O	S5A	3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
+Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)O	S5B	4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid
+Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)N	S5D	(r)-6-(2-amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
+Cc1c(c(on1)c2c(nns2)C)C(=O)N[C@H](CCc3ccccc3)C(=O)N[C@H](CC(=O)NC)c4ccc(cc4)C(F)(F)F	S5E	3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-n-((r)-1-(((r)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide
+CC1([C@@H](SC(=S)N1C)NO)C	S5G	(5~{r})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C	S5H	5-alpha-pregnane-3-beta-ol-hemisuccinate
+COc1ccccc1N2CCN(CC2)CC#N	S5J	2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile
+B([C@H](Cc1coc2c1cccc2)NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)(O)O	S5K	[(1r)-2-(1-benzofuran-3-yl)-1-{[(1s,2r,4r)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid
+CC(C)(C)c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3	S5M	4-~{tert}-butyl-~{n}-[[4-(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
+C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)S	S5P	6-sulfanyluridine-5'-phosphate
+SSS(S)S	S5S	2-sulfanyl-2lambda~4~-tetrasulfane
+O=[W]123(=O)O[W]45(=O)(=O)O1[Si]67O89[W]1%10(=O)(=O)O[W]%11%12(=O)(=O)O66[W]%13(=O)(O4)(O%11)O[W]4%11(=O)(O5)O75[W]7(=O)(O2)(O4)O[W]8(=O)(O3)(O1)O[W]91(=O)(O%10)O[W]6(=O)(O%12)(O%13)O[W]5(=O)(O7)(O%11)O1	S5T	monolacunary keggin (sta)
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCCOc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC	S5W	macrocyclic safit analogue 55
+CCOCCOCCS	S5Y	2-(2-ethoxyethoxy)ethanethiol
+c1ccc(cc1)c2ccc(c(c2)CS)C(=O)O	S5Z	4-phenyl-2-(sulfanylmethyl)benzoic acid
+Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N	S60	6-amino-2-methyl-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+Cc1ccccc1[C@H](CC(=O)O)NC(=O)C2=CC(=O)N(N2)c3ccccc3F	S61	(s)-3-{[1-(2-fluoro-phenyl)-5-hydroxy-1h-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid
+c1cc2c(cc1S(=O)(=O)O)nc(s2)S(=O)(=O)O	S62	1,3-benzothiazole-2,5-disulfonic acid
+COc1ccc(cc1)C2=NCC[C@@H]3[C@@H]2CCS3	S64	(3~{a}~{r},7~{a}~{r})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine
+[C@@H]12[C@@H]([C@H]([C@H]3[C@@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl	S65	heptachlor endo-epoxide
+C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	S68	endosulfan
+Cc1cc(cc(c1/C=N/NC(=O)Cc2cccc(c2)OC)O)O	S69	n'-[(e)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
+c1cc(c(cc1CO)Cl)n2ccnc2	S6B	3-chloranyl-4-imidazol-1-yl-benzaldehyde
+C[C@H]1CCN1c2nc(cc(n2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F	S6D	2-[(1~{s},5~{r})-3-[2-[(2~{s})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid
+C1[C@@H]2[C@H]([C@@H]([C@@H]1Cl)Cl)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	S6E	(-)cis-chlordane
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=S)N	S6G	6-thio-2'-deoxyguanosine-5'-monophosphate
+C1[C@H]2[C@@H]([C@H]([C@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl	S6H	(+)cis-chlordane
+c1cc(ccc1NC(=O)NC2CCCC2)S(=O)(=O)N	S6I	4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide
+C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@@H]4[C@H](C3)C4CO)C(F)(F)F)C#N)O	S6J	6-[(1~{s},5~{r})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
+c1ccc(cc1)Cn2c3ccc(cc3c(c2N)C#N)Oc4ccc(cc4)NC(=O)CN	S6L	2-amino-n-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide
+CC1(CC(CC(N1O)(C)C)n2cc(nn2)[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=O)NC4=O)COP(=O)(O)O)O)C	S6M	[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-[1-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphate
+C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O	S6P	d-sorbitol-6-phosphate
+c1ccc(cc1)CNCCOc2cccc3c2ccn3S(=O)(=O)c4ccccc4	S6Q	~{n}-(phenylmethyl)-2-[1-(phenylsulfonyl)indol-4-yl]oxy-ethanamine
+C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F)C#N)O	S6S	2-[(1~{r},5~{s})-3-[5-cyano-6-[(2~{s},3~{r})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid
+CCCOCCN(c1c(cccc1CC)CC)C(=O)CCl	S6T	pretilachlor
+c1ccc(cc1)NC(=O)NCCN2CCCC2=O	S6V	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
+c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F	S6W	fipronil
+CC(C)CC1=NC(=O)NC(=C1)C(=O)O	S6Y	6-(2-methylpropyl)-2-oxidanylidene-5~{h}-pyrimidine-4-carboxylic acid
+CC(C)Oc1cc(c(cc1Cl)Cl)N2C(=O)OC(=N2)C(C)(C)C	S6Z	oxadiazon
+C([C@@H](C(=O)CP(=O)(O)O)O)OP(=O)(O)O	S70	3-hydroxy-2-oxo-4-phophonoxy- butyl)-phosphonic acid
+Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@@H](Cc3cc(cc(n3)N)C)CN	S71	(r)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine
+Cc1c(nnn1Cc2ccccc2)C(=O)NC3CCC(CC3)CC(=O)N(Cc4ccc(cc4)F)CC(=O)NC	S72	1-benzyl-n-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1h-1,2,3-triazole-4-carboxamide
+c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N+](=O)[O-])CO)OC(F)(F)F	S73	(2-nitro-4-{[(3s)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol
+c1ccc(cc1)[C@@H]2[C@@H](C2NC(=O)N3CCC(CC3)Oc4ccc(cc4)CCC(=O)O)c5ccccc5	S74	3-{4-[(1-{[(1s,2r,3s)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid
+CNC1=CC(=O)NC(=O)N1	S76	6-(methylamino)-1h-pyrimidine-2,4-dione
+Cn1cnnc1C2CCN(CC2)c3c(cccn3)c4ccc(nc4)F	S77	2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine
+CC(C)(C)OC(=O)N1CCC[C@@H](C1)C[NH2+]CCOc2cccc3c2ccn3Cc4ccccc4	S78	2-((1-benzyl-1h-indol-4-yl)oxy)-n-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium
+c1ccc2c(c1)cccc2CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N	S79	6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+C1CN(CCN1)C(=O)CC(F)(F)F	S7A	3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one
+Cc1cccc(c1OC(=O)C2CC2)C(=O)O	S7B	2-[(cyclopropylcarbonyl)oxy]-3-methylbenzoic acid
+C[C@H]1CN(CCO1)C(=O)Cn2cccn2	S7D	1-[(2~{s})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone
+Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(n3)C(=O)Nc4cn(c(n4)C(=O)NCC[C@@H](C=O)N)C)C)N	S7E	4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-~{n}-[2-[[(3~{s})-3-azanyl-4-oxidanylidene-butyl]carbamoyl]-1-methyl-imidazol-4-yl]-1-methyl-imidazole-2-carboxamide
+CC(=O)N[C@@H]1Cc2ccccc2NC1	S7G	~{n}-[(3~{r})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide
+C[C@H](CN1C(=O)N(C(=O)N(C1=O)C[C@@H]2CO2)C[C@H]3CO3)O	S7H	1-[(2~{r})-2-oxidanylpropyl]-3-[[(2~{r})-oxiran-2-yl]methyl]-5-[[(2~{s})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
+c1c(cnc(n1)C(F)(F)F)C(=O)N	S7J	2-(trifluoromethyl)pyrimidine-5-carboxamide
+Cc1ccnc(c1)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N	S7K	(s)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
+CC[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	S7M	[(3s)-3-amino-3-carboxypropyl]{[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethyls ulfonium
+C[C@@H](C(=O)N[C@@H](CCSC)C(=O)C)NC(=O)[C@@H](C(C)C)NC(=O)OCc1ccccc1	S7N	(phenylmethyl) ~{n}-[(2~{r})-3-methyl-1-[[(2~{s})-1-[[(3~{s})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate
+C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O	S7P	1-c-(hydroxymethyl)-6-o-phosphono-beta-d-altrofuranose
+C[C@H](C(=O)N[C@H](CCSC)C(=O)C)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1	S7Q	(phenylmethyl) ~{n}-[(2~{s})-3-methyl-1-[[(2~{r})-1-[[(3~{r})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate
+CCCC(=O)Nc1nnn(n1)CC	S7S	~{n}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide
+CCc1c(c([nH]c1C(=O)Nc2cccc(c2)CCC(=O)NO)C)C(=O)C	S7T	4-acetyl-3-ethyl-n-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)CN2CCO[C@H](C2)CO	S7V	[(2~{r})-4-(phenylmethyl)morpholin-2-yl]methanol
+C1C[C@@H](OC1)N2C=C(C(=O)NC2=O)F	S7W	tegafur
+Cc1c([nH]cn1)CN2CCc3c(c4ccccc4n3C)C2=O	S7Y	alosetron
+c1c(cc(c(c1F)/N=N\c2c(cc(cc2F)CO)F)F)CO	S7Z	(e)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol
+CC(C)C[C@H](C(CCCO)C(=O)NO)C(=O)N[C@H]1CCCCN(C1=O)CCOC	S80	n1-hydroxy-2-(3-hydroxy-propyl)-3-isobutyl-n4-[1-(2-methoxy-ethyl)-2-oxo-azepan-3-yl]-succinamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)F)O)N)O)O)N	S81	(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-glucopyranoside
+CC(C)c1nc(on1)C2CCN(CC2)C(=O)N[C@H]3C[C@@H]3c4ccccc4	S82	4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-n-[(1s,2r)-2-phenylcyclopropyl]piperidine-1-carboxamide
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C(F)(F)F	S84	n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-(trifluoromethyl)phenyl)-n1,n2-dimethylethane-1,2-diamine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC	S85	n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-n1,n2-dimethylethane-1,2-diamine
+Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O	S87	ondansetron
+C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)F	S88	n-[(3-fluorophenyl)methyl]-1-[(1r)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
+c1ccc(cc1)C[C@@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3	S89	n-[(2s)-1-hydroxy-3-phenylpropan-2-yl]-nalpha-[(2e)-3-phenylprop-2-enoyl]-l-phenylalaninamide
+c1ccc2c(c1)C(=O)N(S2(=O)=O)CC(=O)O	S8A	(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)acetic acid
+CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2	S8B	~{n}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide
+CCNC(=O)CN1C[C@H](OC[C@@H]1C)C	S8D	2-[(2~{r},5~{s})-2,5-dimethylmorpholin-4-yl]-~{n}-ethyl-ethanamide
+CCN[P@](=O)(NCCBr)OCc1cnc(n1C)N(O)O	S8E	5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{n},~{n}-bis(oxidanyl)imidazol-2-amine
+c1cc(cc(c1)F)CCCNCc2ccnc(n2)n3ccnc3	S8F	3-(3-fluorophenyl)-n-{[2-(1h-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine
+C1C[C@H](CN(C1)C(=O)CCC(F)(F)F)N	S8G	1-[(3~{r})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one
+CC(C)OC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@@H](C(=O)O)N	S8H	(2~{s})-2-azanyl-5-oxidanylidene-5-[[(2~{s})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid
+CCOc1cccc(c1)C(=O)Nc2nnn(n2)C	S8J	3-ethoxy-~{n}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
+CC(C)(C)OC(=O)N1CCC[C@H](C1)CNCCOc2cccc3c2ccn3S(=O)(=O)c4ccccc4	S8K	~{tert}-butyl (3~{s})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](c4[nH]nnn4)N)O)O)N	S8M	(2~{r},3~{r},4~{s},5~{s})-2-(6-aminopurin-9-yl)-5-[[(3~{s})-3-azanyl-3-(1~{h}-1,2,3,4-tetrazol-5-yl)propyl]sulfanylmethyl]oxolane-3,4-diol
+CC1(C(=O)N[C@@H](C(=O)N2CCCC[C@H]2C(=O)O[C@@H](c3cccc(c3)OCC(=O)N1C)CCc4ccc(c(c4)OC)OC)C5CCCCC5)C	S8N	(2~{r},5~{s},12~{r})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
+Cc1cc(ns1)C(=O)NC[C@@H]2CCCO2	S8P	5-methyl-~{n}-[[(2~{s})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide
+C[C@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C(/C)\c2ccc(c(c2)OC3CCCC3)OC	S8Q	2-[(~{z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{s},6~{s})-2,6-dimethylmorpholin-4-yl]ethanone
+CC(C)c1ccc2c(c1)CCc3ccc(cc3S2)F	S8T	9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine
+C1COC[C@@H]1CNC2CC2	S8V	~{n}-[[(3~{s})-oxolan-3-yl]methyl]cyclopropanamine
+CC(=O)Nc1cc(ccc1[C@@H]2C[C@H]2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5	S8W	~{n}-[2-[(1~{r},2~{r})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide
+CC(C)(C)NC(=O)[C@@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3	S8Y	5-[[[(1r)-2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+COCC#Cc1cccc(c1)[C@@]2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(cc4)OC(F)F	S8Z	(8r)-8-[4-(difluoromethoxy)phenyl]-3,3-difluoro-8-[3-(3-methoxyprop-1-yn-1-yl)phenyl]-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(CCNC)C3CC3	S90	n1-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-n1-cyclopropyl-n2-methylethane-1,2-diamine
+Cc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)CC(=O)O)C(=O)N	S91	[4-({5-(aminocarbonyl)-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid
+c1c(nc2c(cnn2c1NC3CC3)C#N)c4c(n(nn4)CCN5CCCCC5)C6=CNC(=O)C=C6	S92	7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1h-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
+c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC(CC3)Oc4ccccc4	S94	4-phenoxy-n-[(1s,2r)-2-phenylcyclopropyl]piperidine-1-carboxamide
+c1cc2cnccc2c(c1)S(=O)(=O)O	S95	isoquinoline-5-sulfonic acid
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3ccc4cc[nH]c4n3	S97	6-(2-{3-(aminomethyl)-5-[2-(1h-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine
+c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N	S98	6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1ccc(cc1)CCCCCCC(c2nc(co2)c3ccccn3)(O)O	S99	7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
+Cc1cc(ccc1CNC(=O)N2CC(C2)OC(C)C)c3ccnc(n3)Nc4cnn(c4)C	S9A	~{n}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide
+c1cc2cnccc2c(c1)C(=O)O	S9B	isoquinoline-5-carboxylic acid
+c1cnc(nc1)Oc2ccc(cc2)[C@@H]3CCNN3	S9D	2-[4-[(3~{s})-pyrazolidin-3-yl]phenoxy]pyrimidine
+c1cc(ncc1C=O)n2ccnc2Br	S9E	6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde
+C1C[C@H](OC1)C(=O)N2CCN(CC2)C(=O)C3CC3	S9G	cyclopropyl-[4-[(2~{s})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone
+COc1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4	S9H	7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
+COc1ccccc1OCC(=O)NN	S9J	2-(2-methoxyphenoxy)ethanehydrazide
+c1ccc(cc1)Nc2nccc(n2)c3ccc4c(c3)CCCC(=O)N4	S9K	7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
+C(COCCOCCOP(=O)(O)O)O	S9L	2-[2-(2-hydroxyethoxy)ethoxy]ethyl dihydrogen phosphate
+c1c(cc(c(c1[C@H]2CCNN2)O)F)F	S9M	2,4-difluoro-6-[(3s)-pyrazolidin-3-yl]phenol
+c1cc(ccc1c2ccn(c2C(=O)O)S(=O)(=O)N)F	S9N	3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid
+Cc1nc2ccc(cc2o1)O	S9P	2-methyl-1,3-benzoxazol-6-ol
+c1ccc(c(c1)CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)C(F)(F)F	S9Q	5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{h}-pyridazin-6-one
+CS(=O)(=O)NCCc1ccc(cc1)F	S9S	~{n}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
+COc1ccc(cc1OC)C[C@H]2c3cc(c(cc3CCN2)OC)OC	S9T	(1~{s})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
+CC(C)(CO)NC(=O)Nc1ccc(cc1)Cl	S9V	1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea
+c1cc(cc(c1)NC(=O)C2(CCOCC2)C=O)CN3CCN(CC3)Cc4ccc(cc4)Br	S9W	~{n}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide
+CCCCCCCCCC(=O)O[C@@H](C)COP(=O)(O)OCC[N+](C)(C)C	S9Y	2-[[(2~{s})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
+CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br	S9Z	~{n}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide
+c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	SA0	2-(hydroxymethyl)phenyl beta-d-glucopyranoside
+C[C@@]12[C@@H](CCO1)C(=O)N[C@]2(C=O)[C@H]([C@H]3CCCC=C3)O	SA1	(3ar,6r,6as)-6-((s)-((s)-cyclohex-2-enyl)(hydroxy)methyl)-6a-methyl-4-oxo-hexahydro-2h-furo[3,2-c]pyrrole-6-carbaldehyde
+C[C@](COC(=O)CCCC(=O)O)([C@H](C(=O)O)N\C=C\C=O)[S@](=O)O	SA2	(3r)-4-[(4-carboxybutanoyl)oxy]-n-[(1e)-3-oxoprop-1-en-1-yl]-3-sulfino-d-valine
+c1cc2c(cc1O)[nH]c3c2c4c(c5c3n(c6c5ccc(c6)O)C7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)NC4=O	SA3	2,10-dihydroxy-12-(beta-d-glucopyranosyl)-6,7,12,13-tetrahydroindolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-dione
+CC[C@H]1C(=O)N[C@]([C@@]1(C)O)(C=O)[C@H]([C@H]2CCCC=C2)O	SA6	(2r,3s,4r)-2-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde
+C[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	SA8	s-5'-azamethionine-5'-deoxyadenosine
+c1ccc(c(c1)CO)O	SA9	2-(hydroxymethyl)phenol
+C[C@](c1ccccc1)(C(=O)O)O	SAA	(s)-atrolactic acid
+c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N	SAB	4-sulfonamide-[1-(4-aminobutane)]benzamide
+CC(=O)N[C@@H](CO)C(=O)O	SAC	n-acetyl-serine
+c1c(nc([se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N	SAD	beta-methylene-selenazole-4-carboxyamide-adenine dinucleotide
+c1c(nc([se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N	SAE	selenazole-4-carboxyamide-adenine dinucleotide
+C[C@@H](c1cccc(c1)O)N(C)C	SAF	3-[(1s)-1-(dimethylamino)ethyl]phenol
+C[C@@H](C(=O)N)/N=C/c1ccc(cc1)OCc2cccc(c2)F	SAG	(s)-(+)-2-[4-(fluorobenzyloxy-benzylamino)propionamide]
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N	SAH	s-adenosyl-l-homocysteine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[Se]CC[C@@H](C(=O)O)N)O)O)N	SAI	s-adenosyl-l-homoselenocysteine
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O	SAJ	(2s,3s,4r,5s,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid
+COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O	SAK	(2s)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4h-chromen-4-one
+c1ccc(c(c1)C(=O)O)O	SAL	2-hydroxybenzoic acid
+C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	SAM	s-adenosylmethionine
+c1cc(ccc1N)S(=O)(=O)N	SAN	sulfanilamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)[NH3+])O)O)N	SAO	5'-s-[(3s)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=S)(O)O)O)O)N	SAP	adenosine-5'-diphosphate monothiophosphate
+c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=CNC4=O	SAQ	2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CNCC(=O)O	SAR	sarcosine
+c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O	SAS	2-hydroxy-(5-([4-(2-pyridinylamino)sulfonyl]phenyl)azo)benzoic acid
+C(C(=O)O)S(=O)(=O)O	SAT	sulfoacetic acid
+C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6	SAU	13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium
+Cc1c2ccc(cc2[nH]n1)Nc3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC	SAV	n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O	SAW	(1r,3s,5r,7s)-n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide
+CCCCCCCCCCCCOc1cccc(c1C(=O)O)O	SAX	2-(dodecyloxy)-6-hydroxybenzoic acid
+c1cc(c(cc1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)O)C=O	SAY	[(2r,3s,5r)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC1=CC[C@@H](CC1)[N@@H+](C)CCC=C(C)C	SAZ	(1s)-n,4-dimethyl-n-(4-methylpent-3-enyl)cyclohex-3-enaminium
+[Sb+3]	SB	antimony (iii) ion
+COc1nccc(n1)c2c(ncn2C3CCC(CC3)O)c4ccc(cc4)F	SB0	trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1h-imidazol-1-yl]cyclohexanol
+CC1(COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O)C	SB1	(21s)-1aza-4,4-dimethyl-6,19-dioxa-2,3,7,20-tetraoxobicyclo[19.4.0] pentacosane
+C[S@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4	SB2	4-[5-(4-fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-3h-imidazol-4-yl]-pyridine
+CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc2ccccc2)c3ccccc3	SB3	1,3-diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate
+c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F	SB4	4-(4-fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole
+c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccnc(n4)N)F	SB5	4-(fluorophenyl)-1-cyclopropylmethyl-5-(2-amino-4-pyrimidinyl)imidazole
+c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccncc4)F	SB6	4-(4-fluorophenyl)-1-cycloropropylmethyl-5-(4-pyridyl)-imidazole
+c1ccc(cc1)CCCN(CO)O	SB7	[hydroxy(3-phenylpropyl)amino]methanol
+c1ccc(cc1)C(=O)c2cccc(c2)OCCN(C=O)O	SB8	2-(3-benzoylphenoxy)ethyl(hydroxy)formamide
+Cc1cccc(n1)CCCN(C=O)O	SB9	hydroxy[3-(6-methylpyridin-2-yl)propyl]formamide
+CC(C)C[C@@H]([C@@H](COC)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	SBA	carbobenzyloxy-(l)-leucinyl-(l)leucinyl methoxymethylketone
+CC[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)c2ccc3c(c2)cc[nH]3	SBB	n-[2-(1h-indol-5-yl)-butyl]-4-sulfamoyl-benzamide
+c1cc(ccc1n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N)S(=O)(=O)N	SBC	1-[4-(aminosulfonyl)phenyl]-1,6-dihydropyrazolo[3,4-e]indazole-3-carboxamide
+[B-]([C@@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N	SBD	d-naphthyl-1-acetamido boronic acid alanine
+B1(OCCO1)O	SBE	1,3,2-dioxaborolan-2-ol
+CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CC34CC5CC(C3)CC(C5)C4	SBF	n-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
+C[P@](=O)(O)OC[C@@H](C(=O)O)N	SBG	o-[(s)-hydroxy(methyl)phosphoryl]-l-serine
+C[C@](CCO[P@@](=O)(O)OP(=O)(O)O)(CBr)O	SBH	(s)-4-bromo-3-hydroxy-3-methylbutyl diphosphate
+c1cc2c(cc1F)[C@@]3(CCO2)C(=O)NC(=O)N3	SBI	sorbinil
+CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN	SBJ	[(2~{s})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-octanoyloxy-propan-2-yl] octadecanoate
+c1c(c(nc(c1Cl)Cl)OCC(=O)O)Cl	SBK	triclopyr
+[B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)OC[C@@H](C(=O)O)N	SBL	l-naphthyl-1-acetamido boronic acid alanine
+CCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC	SBM	2-[[(2~{s})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
+Cc1cc(cc(c1)S(=O)(=O)c2cccc(c2C#N)N)C	SBN	2-amino-6-(3,5-dimethylphenyl)sulfonylbenzonitrile
+O[Sb](O)O	SBO	trihydroxyantimonite(iii)
+B1(OCCO1)OCCCNC(=[NH2+])N	SBP	[3-(1,3,2-dioxaborolan-2-yloxy)propyl]guanidine
+COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	SBQ	methyl 3-[3-chloranyl-4-[(2~{r},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate
+C[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3	SBR	(r)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
+C[C@@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3	SBS	(s)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
+CC[C@H](C)O	SBT	2-butanol
+CCCC	SBU	sec-butyl group
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([C@H]([C@@](CO4)(C)O)NC)O)N)N)N)O	SBV	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-beta-l-threo-hexopyranoside
+c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O)N	SBW	n-(3-hydroxybenzyl)-4-sulfamoylbenzamide
+CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc2ccccc2)C3CCCCC3	SBX	1-cyclohexyl-3-phenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate
+CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]	SBY	3-[dodecyl(dimethyl)ammonio]propane-1-sulfonate
+B1(OCCO1)OCc2ccc(cc2)C(=[NH2+])N	SBZ	[4-(1,3,2-dioxaborolan-2-yloxy)methyl]benzamidine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)O)O	SC	2-deoxy-cytidine-5'-thiophosphorate
+CCCCC\C=C\CC(C\C=C\CCCCC)(P(=O)(O)O)P(=O)(O)O	SC0	(6e,11e)-heptadeca-6,11-diene-9,9-diylbis(phosphonic acid)
+C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O	SC1	[3r-[3a,4a,5b(s*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid
+CC(=O)N[C@@H](CS)C(=O)O	SC2	n-acetyl-l-cysteine
+CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C	SC3	7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
+COc1ccc(c(c1)Cl)OCc2ccc(cc2)COc3c(cccc3Cl)Cl	SC4	1[2-chloro-4-methoxy-phenyl-oxymethyl]-4-[2,6-dichloro-phenyl-oxymethyl]-benzene
+C[C@H](c1ccccc1)NC(NCC(O)O)Nc2ccc(cc2)CN	SC5	2-[((r)-{[4-(aminomethyl)phenyl]amino}{[(1r)-1-phenylethyl]amino}methyl)amino]ethane-1,1-diol
+Cc1cc(cc(c1)C(=O)N2CCC[C@@H]2COC)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4C[C@H](CN4)Oc5ccccc5)O	SC6	n-{(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl}-3-{[(2r)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)OCC)O)C	SC7	n'-{(1s,2r)-1-(3,5-difluorobenzyl)-2-[(2r,4s)-4-ethoxypiperidin-2-yl]-2-hydroxyethyl}-5-methyl-n,n-dipropylisophthalamide
+c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)ccn3)NCc4ccncc4	SC8	5-(2,3-dichlorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+c1ccc(c(c1)c2cn3ccnc3c(n2)NCc4cccnc4)F	SC9	6-(2-fluorophenyl)-n-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
+CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O	SCA	succinyl-coenzyme a
+COCCN1C(=O)C(=Cc2ccc(o2)c3ccc(c(c3)C(=O)O)Cl)SC1=Nc4ccccc4	SCB	2-chloro-5-(5-{(e)-[(2z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)benzoic acid
+CCS	SCC	thioethyl group
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)CCC(=O)O)O	SCD	succinyl(carbadethia)-coenzyme a
+Cc1cnc2n1ccnc2NCc3ccncc3	SCE	3-methyl-n-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
+c1ccc(c(c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F	SCF	5-(2-fluorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC=O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	SCG	secologanin
+CSSC[C@@H](C(=O)O)N	SCH	s-methyl-thio-cysteine
+C(C[C@@H](C(=O)O)N)C/N=C(/N)\S	SCI	l-thiocitrulline
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4cccnc4	SCJ	3-bromo-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C	SCK	2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(n,n,n-trimethylethanaminium)
+CC(=O)ONC(=O)c1ccccc1O	SCL	acetic acid salicyloyl-amino-ester
+C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O	SCM	spectinomycin
+C(#N)[S-]	SCN	thiocyanate ion
+CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)O)O	SCO	succinamide-coa
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2CONC2=O)O	SCP	[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-n,o-cycloserylamide
+c1ccc(cc1)c2cc3c(cnn3c(c2)NCc4cncnc4)Br	SCQ	3-bromo-5-phenyl-n-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	SCR	sucrose octasulfate
+CCSSC[C@@H](C(=O)O)N	SCS	3-(ethyldisulfanyl)-l-alanine
+CC1=CN(C(=O)NC1=O)[C@]23C[C@H]2[C@@H]([C@H](C3)O)CO	SCT	(south)-methanocarba-thymidine
+C[N+](C)(C)CCOC(=O)CCC=O	SCU	n,n,n-trimethyl-2-[(4-oxobutanoyl)oxy]ethanaminium
+CC(C)[C@H](C(=O)O)OC(=O)[C@H](C(=O)S)NC(=O)CCC[C@@H](C(=O)O)N	SCV	n6-[(1s)-2-{[(1r)-1-carboxy-2-methylpropyl]oxy}-1-(mercaptocarbonyl)-2-oxoethyl]-6-oxo-l-lysine
+c1ccc(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4	SCW	3-bromo-6-phenyl-n-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
+CCc1cnn2c1nc(cc2NCc3cnc(nc3)N)c4c(cccc4F)F	SCX	n-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
+CC(=O)SC[C@@H](C(=O)O)N	SCY	s-acetyl-cysteine
+c1ccc(cc1)c2cc(n3c(n2)c(cn3)C4CC4)NCc5cccnc5	SCZ	3-cyclopropyl-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
+Cc1cc2c(n1c3ccc(c(c3)Nc4cc(c(c(c4)OC)OC)OC)C(=O)N)CC(CC2=O)(C)C	SD1	2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide
+CSCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)CS	SD2	n-(sulfanylacetyl)tyrosylprolylmethioninamide
+C([C@H](C(=O)O)N)C(=O)NO	SD3	n-hydroxy-d-asparagine
+C([C@@H](C(=O)O)N)C(=O)NO	SD4	n-hydroxy-l-asparagine
+c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F	SD5	5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
+CCOC(=O)c1csc(n1)N2CCN(CC2)C3=Nc4ccccc4SC3	SD8	2-[4-(2h-1,4-benzothiazine-3-yl)-piperazine-1-ly]-1,3-thiazole-4-carboxylic acid ethylester
+c1c(cc(c(c1Cl)N)Cl)S(=O)(=O)N	SDA	4-amino-3,5-dichlorobenzenesulfonamide
+C1CN=C(N[C@@H]1C(=O)O)[C@@H](CO)N	SDB	(4s)-2-[(1s)-1-amino-2-hydroxyethyl]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
+C(CS(=O)(=O)N)SC[C@@H](C(=O)O)N	SDC	s-[2-(aminosulfonyl)ethyl]-d-cysteine
+C([C@H]([C@@H]([C@H](C(=O)CO)O)O)O)O	SDD	d-sorbose
+c1nc2c(c(n1)N3C[C@@H]([C@H](C3)O)O)ncn2[C@H]4C[C@@H]([C@H](O4)COP(O)(O)O)O	SDE	(s,s)-n6,n6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate
+c1cc(c(cc1Cl)Cl)C(P(=O)(O)O)S	SDF	[(r)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)nc(nc2[SeH])N	SDG	2-amino-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purine-6-selenol
+C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]23C(=O)N=C(N3)N)COP(O)(O)O)O	SDH	(5s)-7-amino-1-[2-deoxy-5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione
+c1ccc(cc1)NCCC(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O	SDJ	(2s)-3-(1h-imidazol-5-yl)-2-({[(3s,4ar,8as)-2-(n-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
+CC(C)C[C@@H](C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2	SDK	1,3-bis[[n-[(phenylmethoxy)carbonyl]-l-leucyl]amino]-2-propanone
+C=CCN1C2=C(N=C(NC2=O)N)N(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	SDL	2-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{h}-purine-6,8-dione
+CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)O	SDN	[(3s)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3h-benzo[g]isochromen-3-yl]acetic acid
+CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(O)O)O	SDO	n~3~-{(2s)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide
+CCOP(=O)(OCC)OC[C@@H](C(=O)O)N	SDP	2-amino-3-(diethoxy-phosphoryloxy)-propionic acid
+c1ccc(cc1)CS	SDQ	phenylmethanethiol
+CCCCCCC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C	SDR	(2s)-2-[(n-acetyl-l-alpha-aspartyl)amino]nonanoic acid
+CCCCCCCCCCCCOS(=O)(=O)O	SDS	dodecyl sulfate
+Cc1ccc(c(c1CC[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C)O)O	SDT	3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione
+c1ccc2c(c1)c(on2)C(=O)N[C@@H]3CCCc4c3cnn4c5ccccc5F	SDV	n-[(4r)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1-benzoxazole-3-carboxamide
+CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H]([C@@H](NCCC(=O)NCCCC(=O)C[C@@](CC(=O)O)(C(=O)O)O)O)O	SDX	s-citryldethia coenzyme a
+C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O	SDY	beta-d-talopyranose
+c1ccnc(c1)N2CCN(CC2)C[C@@H](COc3ccc(cc3)C4CCCCC4)O	SDZ	1-[2-hydroxy-3-(4-cyclohexyl-phenoxy)-propyl]-4-(2-pyridyl)-piperazine
+[SeH2]	SE	selenium atom
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)OC[C@@H](C(=O)O)N)NC(=O)CC2CCCS2	SE0	(2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxyethoxy]-2-oxo-1-{[(2r)-tetrahydrothiophen-2-ylacetyl]amino}ethyl]-5-methylidene-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+c1ccc2c(c1)C=C(C(=O)O2)O	SE2	3-hydroxy-2h-chromen-2-one
+[O-][Se](=O)(=O)[O-]	SE4	selenate ion
+c1cc(ccc1CCc2cc([nH]c2)C(=O)O)Cl	SE5	4-(4-chlorophenethyl)-1h-pyrrole-2-carboxylic acid
+C([C@@H](C(=O)O)N)[Se](=O)O	SE7	2-amino-3-selenino-propionic acid
+C(CC(=O)NCCNC(=O)C[C@](CC(=O)NC[C@@H](C(=O)O)N)(C(=O)O)O)C(=O)C(=O)O	SE8	5-[(2-{[(3s)-5-{[(2s)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid
+C(CS)N	SEA	thioethylamine
+c1ccc(cc1)CS(=O)(=O)OC[C@@H](C(=O)O)N	SEB	o-benzylsulfonyl-serine
+C([C@@H](C(=O)O)N)[SeH]	SEC	selenocysteine
+[B-](O)(O)(O)OC[C@@H](C(=O)O)N	SEE	trihydroxy(l-serinato-kappao~3~)borate(1-)
+CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F	SEF	ethyl (r)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate
+C([C@@H](C(=O)O)N)O	SEG	hydroxyalanine
+CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1	SEH	s-benzyl phenylacetothiohydroximate-o-sulfate
+CC(C)[C@@H](C(=O)C(C(F)(F)F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)N3CCOCC3	SEI	1-{3-methyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide
+C1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O	SEJ	beta-d-arabinopyranose
+C(#N)[Se-]	SEK	selenocyanate ion
+C(C(CO)N)O	SEL	2-amino-1,3-propanediol
+c1ccc(cc1)COC[C@@H](C(=O)O)N	SEM	o-benzyl-l-serine
+CN(C)[P@](=O)(O)OC[C@@H](C(=O)O)N	SEN	o-[n,n-dimethylphosphoramidate]-l-serine
+C(CS)O	SEO	2-mercaptoethanol
+C([C@@H](C(=O)O)N)OP(=O)(O)O	SEP	phosphoserine
+C([C@@H](C(=O)O)N)O	SER	serine
+C([C@@H](C(=O)[O-])[NH-])O	SER_LEO2	l-serine c-terminal deprotonated fragment
+C([C@@H](C(=O)O)[NH-])O	SER_LEO2H	l-serine c-terminal protonated fragment
+C([C@@H](C(=O)O)[NH-])[O-]	SER_LEO2H_DHG	l-serine-c-terminal protonated fragment/with side chain deprotonated og
+C([C@@H](C(=O)[O-])[NH-])[O-]	SER_LEO2_DHG	l-serine-c-terminal deprotonated fragment/with side chain deprotonated og
+C([C@@H](C(=O)O)N)O	SER_LFOH	l-serine free neutral
+C([C@@H](C(=O)O)N)[O-]	SER_LFOH_DHG	l-serine-free neutral/with side chain deprotonated og
+C([C@@H](C(=O)[O-])[NH3+])O	SER_LFZW	l-serine free zwitterion
+C([C@@H](C(=O)[O-])[NH3+])[O-]	SER_LFZW_DHG	l-serine-free zwitterion/with side chain deprotonated og
+C([C@@H]([C-]=O)[NH-])O	SER_LL	l-serine - linking embedded fragment
+C([C@@H]([C-]=O)[NH-])[O-]	SER_LL_DHG	l-serine-linking embedded fragment/with side chain deprotonated og
+C([C@@H]([C-]=O)[NH3+])O	SER_LSN3	l-serine n-terminal protonated fragment
+C([C@@H]([C-]=O)[NH3+])[O-]	SER_LSN3_DHG	l-serine-n-terminal protonated fragment/with side chain deprotonated og
+CCCCc1c([se]c(n1)N)CCC	SES	4-butyl-5-propyl-1,3-selenazol-2-amine
+C([C@@H](C(=O)N)N)O	SET	aminoserine
+CCSC(=N)N	SEU	s-ethylisothiourea
+COc1ccc(cc1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F	SEV	3,5-bis(fluoranyl)-~{n}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
+C(=[Se])(N)N	SEY	selenourea
+Cc1cc(cc(c1)C)C	SEZ	1,3,5-trimethylbenzene
+c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl	SF1	1-benzyl-5-chloro-3-(phenylthio)-1h-indole-2-carboxylic acid
+COc1cccc(c1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl	SF2	5-chloro-1-(3-methoxybenzyl)-3-(phenylthio)-1h-indole-2-carboxylic acid
+S1[Fe][S@@]2[Fe]1[S@@]([Fe]2)[Fe]	SF3	fe4-s3 cluster
+[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45	SF4	iron/sulfur cluster
+CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C(=O)OC	SF5	methyl 4-({5-[(3r)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate
+C([C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)O	SF6	alpha-l-psicofuranose
+CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F	SF7	(3r)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-n-hydroxyheptanamide
+C(C[C@H](C(=O)O)NC(=O)C[C@@](CC(=O)O)(C(=O)O)O)CNC(=O)C[C@](CC(=O)O)(C(=O)O)O	SF8	(2r)-2-(2-{[(1r)-1-carboxy-4-{[(3s)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxybutanedioic  acid
+C([C@H]1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O	SF9	beta-l-psicofuranose
+CC[C@H]1C[C@@H]([C@@]2([C@H]([C@H]([C@H]([C@@H](O2)C[C@@H]([C@@H](C)CC\C=C\C=C(/C)\[C@@H]3C\C=C\C=C\[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O3)Cc5cccc(c5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)C)NC1=O)C	SFA	sanglifehrin a
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NS(=O)(=O)C[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)CO)O)O)N	SFB	(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-n-[[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]methylsulfonyl]-3,4-dihydroxy-oxolane-2-carboxamide
+CC(C)Cc1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O	SFC	(s)-ibuprofenoyl-coenzyme a
+Cc1cc2c(cc1C)[N@](C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(=O)(=O)O	SFD	(s)-10-((2s,3s,4r)-5-((s)-((s)-(((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)(hydroxy)phosphoryloxy)-2,3,4-trihydroxypentyl)-7,8-dimethyl-2,4-dioxo-2,3,4,4a-tetrahydrobenzo[g]pteridine-5(10h)-sulfonic acid
+c1ccc(cc1)C(CC(=O)O)N	SFE	(3s)-3-amino-3-phenylpropanoic acid
+C1CCC(CC1)NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2	SFF	(4as,8ar)-n-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N	SFG	sinefungin
+c1cc(cnc1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	SFH	5'-o-[(pyridine-3-carbonyl)sulfamoyl]adenosine
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)SC)F)CC(=O)O	SFI	2-[(3z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F)O	SFJ	(2r,3r,4r,5r,6r)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydro-2h-pyran-2-carboxylic acid
+CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O	SFK	n-(4-methylpentanoyl)-l-phenylalanine
+F[Sc-](F)(F)F	SFL	scandium tetrafluoride
+C[C@H]1[C@H](/C=C/C=C/C[C@H](OC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1O)CCC(=O)C)C(C)C)Cc3cccc(c3)O)/C(=C/CO)/C)O	SFM	(13e,15e)-(3s,6s,9r,10r,11s,12s,18s,21s)-10,12-dihydroxy-3-(3-hydroxyben-zyl)-18-((e)-3-hydroxy-1-methylpropenyl)-6-isopropyl-11-methyl-9-(3-oxo-butyl)-19-oxa-1,4,7,25-tetraaza-bicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetraone
+[O-]S(=O)=O	SFN	sulfonate group
+O[SH](=O)O	SFO	sulfonic acid
+c1c(ccc(c1)S([O-])(O)O)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7ccc(cc7)S([O-])(O)O)/C=C5)/c8ccc(cc8)S([O-])(O)O)/cc4)/c9ccc(cc9)S([O-])(O)O)C=C3	SFP	5,10,15,20-tetrakis(4-sulpfonatophenyl)-21h,23h-porphine
+c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(cc2)I	SFQ	2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid
+C[C@H]([C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O	SFR	(2r)-2-[(1s,2r)-1-carboxy-2-hydroxypropyl]-5-[(2r)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid
+[Fe]12[Se]3[Fe]4[Se]1[Fe]5[Se]2[Fe]3[Se]45	SFS	fe4-se4 cluster
+CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](\C=C\CCCCCCCCCCCCC)O)O	SFT	sulfogalactoceramide
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O	SFU	methyl 1-seleno-alpha-l-fucopyranoside
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O	SFV	[[[(2~{r},3~{s},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methylphosphonic acid
+Cc1ccc(c(c1)C(F)(F)F)n2ccnc2c3ccccc3	SFW	1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole
+CNCC[C@@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F	SFX	(3s)-n-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
+c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N	SFY	4-amino-n-(pyridin-2-yl)benzenesulfonamide
+c1cc(c(cc1S(=O)(=O)N)[N+](=O)[O-])N2CCCC2=O	SG1	3-nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonamide
+CN1c2ccc(cc2C(=O)S1)S(=O)(=O)N	SG2	1-methyl-3-oxo-1,3-dihydro-benzo[c]isothiazole-5-sulfonic acid amide
+C[C@](CO)([C@@H](C=CP(=O)(O)O)O)F	SG3	[(1e,3r,4s)-4-fluoro-3,5-dihydroxy-4-methylpent-1-en-1-yl]phosphonic acid
+CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N	SG4	3,4-di-o-acetyl-6-o-sulfamoyl-alpha-d-glucopyranose
+CCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N	SG5	2,3,4-tri-o-propanoyl-6-o-sulfamoyl-alpha-d-glucopyranose
+CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)COS(=O)(=O)N	SG6	4-o-acetyl-6-o-sulfamoyl-alpha-d-galactopyranose
+CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N	SG7	3,4-di-o-acetyl-6-o-sulfamoyl-alpha-d-mannopyranose
+CNC1CCC(CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5c(ccc(c5s4)F)F)Cl	SG8	3-chloro-4,7-difluoro-n-[trans-4-(methylamino)cyclohexyl]-n-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide
+C[C@H]1[C@H]2CCC/C=C\[C@H]3C[C@@H](C[C@]4(O3)C[C@H](C[C@H](O4)CC(=O)[C@H]([C@H]([C@@H](C(=C)C[C@H]5C[C@](C[C@]6(O5)C[C@H](C[C@@H](O6)CC(=O)O[C@@H]7[C@H]([C@H]([C@@H]([C@](O2)(C[C@@H]1O)O)O)O[C@@H]([C@H]7O)CC(=C)C[C@@H](/C=C/C(=C)Cl)O)C)OC(=O)C)(C)O)C)OC(=O)C)C)OC)O	SG9	spongistatin-1
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)OS(=O)(=O)O)O)O	SGA	3-o-sulfo-beta-d-galactopyranose
+CC(C)O[P@](=O)(C)OC[C@@H](C(=O)O)N	SGB	o-[(s)-methyl(1-methylethoxy)phosphoryl]-l-serine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O	SGC	4-thio-beta-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)S	SGD	6-thio-alpha-d-glucopyranose
+C[N@@]1Cc2c(ccc3c2OCO3)-c4c1c5cc6c(cc5cc4)OCO6	SGE	13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)N)O	SGF	(2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-o-sulfo-beta-d-galactopyranoside
+C[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(Cc2ccccc2)O)O	SGG	[(2~{s})-3-[[(1~{s})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid
+Cc1ccc(cc1C(F)(F)F)n2ccnc2c3ccccc3	SGH	1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole
+c1cc(ccc1CCC(=O)N)O	SGI	3-(4-hydroxyphenyl)propanamide
+C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)S)O)O	SGJ	1,4-dideoxy-4-thio-nojirimycin
+c1ccnc(c1)CNCC(=O)O	SGK	2-(pyridin-2-ylmethylamino)ethanoic acid
+C([C@H](CSO)O)O	SGL	1-hydroxy-1-thio-glycerol
+C([C@H](CS)O)O	SGM	monothioglycerol
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O	SGN	2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N	SGP	guanosine-2',3'-cyclophosphorothioate
+CO[P@](=O)(N)OC[C@@H](C(=O)O)N	SGR	o-[(r)-amino(methoxy)phosphoryl]-l-serine
+COc1cc(cc(c1O)OC)\C=C\C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	SGS	(e)-(2s,3r,4s,5s,6r)-tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)-2h-pyran-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=S)N	SGT	2-amino-9-{2-deoxy-5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-d-erythro-pentofuranosyl}-1,9-dihydro-6h-purine-6-thione
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N	SGV	sangivamycin
+COc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl	SGW	3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2h)-one
+COP(=O)(N)OC[C@@H](C(=O)O)N	SGX	o-[(s)-amino(methoxy)phosphoryl]-l-serine
+c1ccc2c(c1)cccc2CC=O	SGZ	2-naphthalen-1-ylethanal
+C[C@@]\1([C@@H](C2/C=C\3/[C@@]([C@@H](/C(=C/C4=N[C@H](C[C@H]5C(=C(C(=N5)/C=C1\N2)CC(=O)O)CCC(=O)O)[C@H]([C@@H]4CC(=O)O)CCC(=O)O)/N3)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O	SH0	3,3',3'',3'''-[(1r,2s,3s,4s,7s,8s,11s,12s,13s,16s,19s)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-1,2,3,4,7,8,11,12,13,16,19,20,22,24-tetradecahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate
+C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)CO)NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1	SH1	n-[(2-phenylethyl)sulfonyl]-d-seryl-n-[(1s)-4-[(diaminomethylene)amino]-1-(hydroxymethyl)butyl]-l-alaninamide
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O	SH2	(r)-n-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O	SH3	n-[2-(1,3-benzodioxol-5-yl)ethyl]-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+C[C@@H](c1ccccc1)OP(=O)(Cc2ccc(cc2)NC(=O)C)[O-]	SH4	(1r)-1-phenylethyl 4-(acetylamino)benzylphosphonate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCCCCCCBr)O)O)N	SH5	5'-o-[(s)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine
+C(CCCC(=O)O)CCCBr	SH6	8-bromooctanoic acid
+Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3)Cl	SH7	(3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate
+Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O	SH8	6-methyl-2-oxidanylidene-chromene-3-carboxylic acid
+c1ccc(c(c1)C(=O)NO)O	SHA	salicylhydroxamic acid
+COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	SHB	methyl beta-d-galactopyranuronate
+CCCCCCSC[C@@H](C(=O)O)N	SHC	s-hexylcysteine
+C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O	SHD	alpha-d-altropyranose
+CC(=O)CCC(=O)O	SHF	laevulinic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O	SHG	2-deoxy-2-fluoro-beta-d-glucopyranose
+c1ccc(cc1)NC(=O)CCCCCCC(=O)NO	SHH	octanedioic acid hydroxyamide phenylamide
+c1c(c(no1)O)C[C@@H](C(=O)O)N	SHI	(s)-2-amino-3-(3-hydroxy-isoxazol-4-yl)propionic acid
+CC1=C(C(=O)C=C(O1)C(=O)O)O	SHL	5-hydroxy-6-methyl-4-oxo-4h-pyran-2-carboxylic acid
+C1[C@H]2[C@@H]([C@@H](S1)CCCCCC(=O)O)NC(=O)N2	SHM	homobiotin
+CC1(/c/2c/c3n/c(c\c4c(c(c([nH]4)cc5nc(/cc(\[nH]2)/C1CCC(=O)O)C(=C5CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)/C(C3CCC(=O)O)(C)CC(=O)O)CC(=O)O	SHN	3,3',3'',3'''-[(7s,8s,12s,13s)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
+C(CCO)CC(=O)O	SHO	5-hydroxylaevulinic acid
+c1cc(ccc1[C@@H](C(=O)O)N)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	SHP	(4-hydroxymaltosephenyl)glycine
+C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N	SHR	n-(5-amino-5-carboxypentyl)glutamic acid
+C[C@H]([C@@H](C(=O)O)NC(=O)C=CCCCCSSCCS(=O)(=O)O)OP(=O)(O)O	SHT	o-phosphono-n-{(2e)-7-[(2-sulfoethyl)dithio]hept-2-enoyl}-l-threonine
+CC(=O)CC(=O)CCC(=O)O	SHU	4,6-dioxoheptanoic acid
+CCCCCCC(=O)O	SHV	heptanoic acid
+CCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O)O	SHW	s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3r)-3-hydroxyoctanethioate
+Cc1c(c(nc(n1)c2ccccn2)N[C@H](Cc3ccccc3)C(=O)N)Cl	SHX	nalpha-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-d-phenylalaninamide
+[H]/N=C(\c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2C[C@@H](C4)O)C(=O)N(C3=O)Cc5ccc6c(c5)OCO6)/N	SHY	4-[(3as,4r,7r,8as,8br)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)([O])OO)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI0	[n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappao)hydroxycopper
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)CCCC)/N	SI1	n-(butylsulfonyl)-d-seryl-n-{4-[amino(imino)methyl]benzyl}-l-alaninamide
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	SI2	o-sialic acid (chair conformation)
+CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	SI3	5-(acetylamino)-3,5-dideoxy-d-glycero-d-galacto-non-2-ulosonic acid
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=C1C=CC=C4)CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI4	[cuii(biot-pr-dpea)]2+
+Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N	SI5	(4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(1-methyl-1h-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)c4c[nH]nc4	SI6	(4ar,6r,8as)-8a-(2,4-difluorophenyl)-6-(1h-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI7	[n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)OO)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI8	[n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide](hydrogen peroxido-kappao)copper
+C1C[N]2(CCC3=CC=CC=[N]3[Cu]2[N]4=CC=CC=C41)CCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SI9	[cuii(biot-bu-dpea)]2+
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	SIA	n-acetyl-alpha-neuraminic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N=CNC2=O	SIB	(2s)-2-amino-4-({[(2s,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9h-purin-9-yl)tetrahydrofuran-2-yl]methyl}thio)butanoic acid
+C1[C@@H](C(=O)N(C1=O)[C@@H](CS)C(=O)O)N	SIC	(2r)-2-[(3s)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CSC(=O)C)O)O)(C(=O)O)OC)O	SID	methyl 9-s-acetyl-5-acetamido-3,5-dideoxy-9-thio-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+CCCCCCCCCCn1c2cc(ccc2cc1c3ccc(cc3)OS(=O)(=O)N)OS(=O)(=O)N	SIE	sulfamic acid 1-decyl-2-(4-sulfamoyloxyphenyl)-1h-indol-6-yl ester
+C[Si](C)(C)C(CC(=O)O)C(=O)O	SIF	3-trimethylsilylsuccinic acid
+C\C=C(/C)\C=C\C=C[C@H](C)[C@H](C)[C@H](C)[C@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C	SIG	stigmatellin
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)OC(=O)CCC(=O)O)C	SIH	progesterone-11-alpha-ol-hemisuccinate
+CC(=O)Nc1ccc(cc1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5	SII	n-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide
+c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3	SIJ	6-(1,9-diazaspiro[5.5]undecan-9-yl)-9h-purine
+CC1(OC[C@@H](O1)CO[P@](=O)(CCCCC=C)O)C	SIL	[(4s)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate
+CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C	SIM	simvastatin acid
+C(CC(=O)O)C(=O)O	SIN	succinic acid
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)OC(=O)C	SIO	methyl 4,9-di-o-acetyl-5-acetamido-3,5-dideoxy-d-glycero-alpha-d-galacto-non-2-ulopyranosidonic acid
+c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F	SIP	8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
+C[C@]1(C2C=C3[C@H]([C@](C4=Cc5c(c(c6n5[Co+2]7(N43)N2C(=C1CCC(=O)O)C=C8N7C(=C6)C(=C8CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O	SIR	cobalt sirohydrochlorin
+C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O	SIS	(1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside
+[O][W]1234O[W]567(O18[Si]91O%10%11[W]%12%13(O2)(O[W]%102(O5)(O[W]%115(O%12)(O[W]%10%11%12(O99[W](O%10)(O3)(O%13)(O[W]93(O%11)(O[W]8(O4)(O6)(O[W]46(O3)(O11[W](O4)(O7)(O2)(O[W]1(O6)(O5)(O%12)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	SIW	keggin (sta)
+c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)CC(=O)NCCc5c[nH]nc5)F	SIX	2-{5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluorophenyl}-n-[2-(1h-pyrazol-4-yl)ethyl]acetamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)F)O)O)O	SIZ	2-deoxy-2-[(difluoroacetyl)amino]-beta-d-galactopyranose
+[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)OCC(C)C	SJ1	n-(isobutoxycarbonyl)-d-seryl-n-((1s)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-l-alaninamide
+[H]/N=C(/N)\NCCC[C@@H](CO)N(C)C(=O)C	SJ2	~{n}-[(2~{s})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-~{n}-methyl-ethanamide
+C1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O	SJ5	(3s,4r,5r)-4,5-dihydroxypiperidine-3-carboxylic acid
+c1cc(ccc1/C=C/C(=O)O)F	SJ8	(~{e})-3-(4-fluorophenyl)prop-2-enoic acid
+C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C	SJA	amorphadiene
+COc1ccc(c(c1)F)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F	SJD	3,5-bis(fluoranyl)-~{n}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide
+CCOC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C	SJG	ethyl ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate
+COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3	SJJ	5-(4-methoxyphenyl)-n-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
+C1CSC2=NC=C(C(=O)N21)C(=O)NCCS	SJK	5-oxidanylidene-~{n}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
+CC#CC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C	SJM	~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide
+Cc1ccc2c(n1)NC=C(C2=O)C(=O)O	SJN	4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
+C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H](CC[C@@H](O4)CN)N)O)O)NC(=O)[C@H]([C@@H](CN)F)O)N)N	SJP	(2r,3r)-4-amino-n-[(1r,2s,3r,4r,5s)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranosyl)oxy]-3-{[3-o-(2,6-diamino-2,3,4,6-tetradeoxy-beta-l-threo-hexopyranosyl)-beta-d-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide
+C1CC(CCC1CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)(F)F	SJQ	4-[4-[[4,4-bis(fluoranyl)cyclohexyl]methyl]-3-oxidanylidene-piperazin-1-yl]-5-chloranyl-1~{h}-pyridazin-6-one
+COc1ccc(cc1)C(=O)Nc2ccccn2	SJR	4-methoxy-n-(pyridin-2-yl)benzamide
+c1cc(c(c(c1)F)c2cc3c([nH]nc3nc2)C4=CC(=O)NC(=N4)N5CCC(CC5)O)F	SJS	4-[5-[2,6-bis(fluoranyl)phenyl]-2~{h}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{h}-pyrimidin-6-one
+C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2[C@H]([C@@](C[C@@](O2)(C)OC)(C)O)O)C)NC(=O)/C=C\[C@H](C)OC(=O)C	SJT	spliceostatin a (form ii)
+Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)cccc2NC(=O)OC	SJV	methyl ~{n}-[6-methyl-5-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate
+c1cc(cnc1)CCC=O	SJW	3-pyridin-3-ylpropanal
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)CC(=O)O	SJY	2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid
+Cc1c(cccc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3	SJZ	(~{e})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid
+c1ccc(cc1)[C@H]2CNCCc3c2cc(c(c3Cl)O)O	SK0	(1r)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
+[H]/N=C(\c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)/N	SK1	n-(benzylsulfonyl)-d-seryl-n-{4-[amino(imino)methyl]benzyl}-l-alaninamide
+CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)OCc3ccccc3)NS(=O)(=O)O	SK2	(3r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid benzyl ester
+c1ccc(cc1)CNC2[C@H]([C@H]([C@H]([C@H]2O)O)O)O	SK3	(1r,2r,3s,4s,5r)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol
+COc1cccc(c1)Nc2c3cc(ccc3ncc2C(=O)N)S(=O)(=O)C	SK4	4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide
+c1ccc(cc1)/C=C/C(=O)c2ccc(cc2)C(F)(F)F	SK5	(e)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)NCCc3ccccn3)C#N	SK6	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile
+CC1=C(N(C(=O)NC1=O)C)C=C(CO)CO	SK7	6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione
+c1cc(ccc1c2c(n3c(n2)SCC3)c4ccncc4)F	SK8	6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
+Cc1cccc(c1)[C@H]2CN(CCc3c2cc(c(c3Cl)O)O)C	SK9	(1r)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol
+c1cc(c(c2c1CCNC2)Cl)Cl	SKA	7,8-dichloro-1,2,3,4-tetrahydroisoquinoline
+c1ccc(cc1)/C=C/C(=O)c2cccc(c2)C(F)(F)F	SKB	(e)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
+CC(=O)N[C@@H]1[C@H](C[C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)O	SKD	2-acetylamino-7-(1,2-dihydroxy-ethyl)-3-hydroxy-6,8-dioxa-bicyclo[3.2.1]octane-5-carboxylic acid
+c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F	SKE	4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1h-1,2,4-triazol-3-yl}amino)benzenesulfonamide
+c1cc2c(cc1S(=O)(=O)N)CNCC2	SKF	1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid amide
+C[C@H]([C@@H](C(=O)O)N)C(C)C	SKG	 4-methylisoleucine
+C[C@](CC(=O)NCCCC[C@@H](C(=O)O)N)(CC(=O)O)O	SKH	(3~{s})-5-[[(5~{s})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid
+CCC[C@@H](C)[C@@H](C(=O)O)N	SKJ	beta-methylnorleucine
+Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N	SKK	n-[2-({2-[(2s)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
+C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O	SKM	(3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
+B([C@H](Cc1cccc(c1)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)c3cnccn3)(O)O	SKN	((r)-2-(3-ethylphenyl)-1-((s)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid
+Cc1cc(nc(c1)N)CCc2cccc(n2)N(C)CCNC	SKO	n'-[6-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]pyridin-2-yl]-n,n'-dimethyl-ethane-1,2-diamine
+C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)OP(=O)(O)O	SKP	5-(1-carboxy-1-phosphonooxy-ethoxyl)-4-hydroxy-3-phosphonooxy-cyclohex-1-enecarboxylic acid
+C1CCC(CC1)N2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl	SKQ	5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{h}-pyridazin-6-one
+c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@H]2O)O)C(=O)O)O	SKT	(3~{r},4~{r},5~{r})-5-[(~{e})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylic acid
+CC(C)[C@H](C(=O)N1CCC2(CC1)C(=O)N(C(=O)N2c3ccc4c(c3)c[nH]n4)C)NC(=O)c5cc(ccc5F)C(F)(F)F	SKV	2-fluoranyl-~{n}-[(2~{r})-1-[1-(2~{h}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide
+C[C@]1(CCSC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br	SKW	~{n}-[3-[(4~{s})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
+c1ccc2cc(ccc2c1)c3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	SKY	1-beta-d-glucopyranosyl-4-naphthalen-2-yl-1h-1,2,3-triazole
+C=C1N2CCCNC(=O)CC34CC(=O)NCCCN5C(=C)O[Fe](O1)(O3)(O2)(O5)OC4=O	SKZ	[2-(hydroxy-kappao)-4-[(3-{(hydroxy-kappao)[1-(hydroxy-kappao)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappao)[1- (hydroxy-kappao)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappao]iron
+CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)OC(=O)C)OC(=O)C	SL0	5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-3-yl 3,4-di-o-acetyl-6-deoxy-alpha-l-mannopyranoside
+c1ccc(cc1)CS(=O)(=O)N[C@@H]2C(=O)N(c3ccccc3C(=N2)c4ccccc4)CC(=O)N[C@@H](CCCNC(=N)N)C=O	SL1	n-((1s)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-2-{(3r)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-1-yl}acetamide
+CC1(C=C(C(N1O)(C)C)C(=O)O[C@@H]2C[C@H](O[C@H]2n3cnc4c3ncnc4N)CO[P@](=O)(O)OP(=O)(O)O)C	SL2	3'-deoxy-2'-o-(2,2,5,5-tetramethyl-1-oxyl-pyrrolin-3-yl) adenosine 5'-diphosphate
+CC1(C=C(C(N1O)(C)C)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO[P@@](=O)(O)OP(=O)(O)O)n3cnc4c3ncnc4N)C	SL3	2'-deoxy-3'-o-(2,2,5,5-tetramethyl-1-oxyl-pyrrolin-3-yl) adenosine 5'-diphosphate
+CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C#N)F)C3=NS(=O)(=O)c4c3cccc4)O	SL4	5-[[(2~{s})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{h}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile
+C[C@@H]1[C@H](N[C@@H](O1)COCCO)C(=O)O	SL5	(2s,4s,5r)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid
+c1cc(ccc1CC2(CCN(CC2)CC3CCCCC3)C(=O)/C=C(/C(=O)O)\O)Cl	SL6	(z)-4-[4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid
+CN(C)c1nc(on1)c2cccc(c2O)CNc3ccc4c(c3)c([nH]n4)C(=O)O	SL7	5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{h}-indazole-3-carboxylic acid
+C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2cccc(c2)NC(=O)c3ccc(cn3)Br	SL8	~{n}-[3-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
+C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O	SLA	omuralide, open form
+CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O	SLB	n-acetyl-beta-neuraminic acid
+C=C(C[SeH])C(=O)N1CCCC1C(=O)O	SLC	seleno-captopril
+CC\1=NC(=O)NC(=O)/C1=C\CC(=O)NCCC\C=C\c2ccc(cc2F)N3C[C@@H](OC3=O)CNC(=O)C	SLD	(3z)-n-[(4e)-5-(4-{(5s)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2h)-ylidene)propanamide
+CC(C)C[C@H](CS)C(=O)O	SLE	2-(thiomethylene)-4-methylpentanoic acid
+CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](\C=C\CCCCCCCCCCCCC)O	SLF	sulfate-3-d-galactosyl-beta-1-1-n-stearoyl-d-sphingosine
+CN(Cc1ccc(cc1c2ccc(c(c2)Cl)C(=O)O)F)C(=O)c3cc4ccc(cc4[nH]3)Cl	SLG	2-chloranyl-4-[2-[[(6-chloranyl-1~{h}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid
+c1ccc(cc1)NCCC(=O)N2C[C@@H]3CCCC[C@H]3C[C@@H]2CN[C@@H](Cc4cnc[nH]4)C=O	SLH	(2s)-3-(1h-imidazol-5-yl)-2-({[(3r,4as,8ar)-2-(n-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
+c1ccc(cc1)NC(=O)c2ccccc2O	SLI	2-hydroxy-n-phenylbenzamide
+CCCOc1c(cccn1)CN(C)c2ccc3c(c2)c([nH]n3)C(=O)O	SLJ	5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{h}-indazole-3-carboxylic acid
+Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(CO[C@@](C(=N3)N)(C)C(F)(F)F)C)F)C#N	SLK	~{n}-[3-[(3~{r},6~{r})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{h}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide
+C(CCNC(=O)CCC(=O)O)C[C@@H](C(=O)O)N	SLL	(2s)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid
+CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)N)O)O	SLM	(2s,4s,5r,6r)-5-acetamido-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
+CC1(C[C@H](C([N@@]1O)(C)C)C(=O)NC[C@H](CNc2ccc(cc2[N+](=O)[O-])N=[N+]=[N-])O[P@@](=O)(O)OP(=O)(O)O)C	SLN	1-(4-azido-2-nitrophenyl)amino-3-(1-oxyl-2,2,5,5-tetramethylpyrrolidinyl-3-carbamido)-2-propyldisphosphate
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)S(=O)(=O)C)F)CC(=O)O	SLO	2-[(3z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid
+C(C[SeH])C(=O)O	SLP	3-selanylpropanoic acid
+CC[C@@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4ccccn4	SLQ	(2s)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9h-purin-2-yl}amino)butan-1-ol
+C[C@@H]1[C@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)O)O	SLR	(3r,4r)-3-hydroxy-2-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-d-proline
+c1cc2c(cc1C(=O)N)CCCO2	SLS	3,4-dihydro-2~{h}-chromene-6-carboxamide
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O	SLT	5-(acetylamino)-3,5-dideoxynon-2-ulopyranonosyl-(2->3)-beta-d-lyxo-hexopyranosyl-(1->4)hexopyranose
+c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O	SLU	5'-o-[n-(dehydroluciferyl)-sulfamoyl] adenosine
+CCCc1ccc(cc1O)NC(=O)C	SLV	~{n}-(3-oxidanyl-4-propyl-phenyl)ethanamide
+CC[C@H](C1[C@H]2[C@@H]1CC(C2)Oc3ccnc4c3cccc4)NC(=O)c5ccc(cc5)Cl	SLW	4-chloranyl-n-[(1r)-1-[(1s,5r)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
+COc1ccc2c(c1O)C[N@]3CCc4cc(c(cc4[C@@H]3C2)O)OC	SLX	(13as)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6h-isoquino[3,2-a]isoquinoline-2,9-diol
+c1ccc(cc1)Oc2ccccc2CN	SLY	(2-phenoxyphenyl)methanamine
+C(CSC[C@@H](C(=O)O)N)N	SLZ	l-thialysine
+[Sm+3]	SM	samarium (iii) ion
+[H]/N=C(/N)\Nc1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2	SM1	n-(benzylsulfonyl)-d-seryl-n-(4-{[amino(imino)methyl]amino}benzyl)-l-alaninamide
+B([C@H](c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O	SM2	(1r)-1-(2-thienylacetylamino)-1-(3-carboxyphenyl)methylboronic acid
+B([C@H](c1ccccc1)NC(=O)Cc2cccs2)(O)O	SM3	(1r)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid
+B([C@H](c1cccc(c1)\C=C\C(=O)O)NC(=O)Cc2cccs2)(O)O	SM4	(1r)-1-(2-thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid
+c1cc\2c(cc1c3cn(nc3c4ccncc4)C5CCNCC5)CC/C2=N\O	SM5	(1e)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1h-pyrazol-4-yl)-2,3-dihydro-1h-inden-1-one oxime
+CCOC(=O)c1c(c2ccncc2s1)NC3=CC4=CCC(=C4C=C3)NO	SM6	ethyl 3-{[1-(hydroxyamino)-2h-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate
+c1cnccc1c2c(cn(n2)C3CCNCC3)C4=CC5=CC6=CN=NC6=C5C=C4	SM7	6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1h-pyrazol-4-yl]indeno[1,2-c]pyrazole
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)\C=C\C=C\C=C\C=C\C(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C	SM8	simocyclinone d8
+CCOCCN(C[C@H](C[N@]1CCC[C@]2(C1)CC[N@@](C2)c3c4ccccc4ncn3)O)S(=O)(=O)c5c(cccc5C)C	SM9	n-(2-ethoxyethyl)-n-{(2s)-2-hydroxy-3-[(5r)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide
+C/C=C(\C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC	SMA	stigmatellin a
+CC[C@H](C)C(=O)O	SMB	2-methylbutanoic acid
+CSC[C@@H](C(=O)O)N	SMC	s-methylcysteine
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	SMD	methyl-2-s-(alpha-d-mannopyranosyl)-2-thio-alpha-d-mannopyranoside
+C[S@@](=O)CC[C@@H](C(=O)O)N	SME	methionine sulfoxide
+c1cc(ccc1C[C@@H](C(=O)O)N)CS(=O)(=O)O	SMF	4-sulfomethyl-l-phenylalanine
+CSCC[C@H](C(=O)O)NC(=O)CCC(=O)O	SMG	n-succinyl methionine
+CCOCCN(C[C@H](C[N@]1CCC[C@]2(C1)CC(=O)c3cc(ccc3O2)O)O)S(=O)(=O)c4c(cccc4C)C	SMH	n-(2-ethoxyethyl)-n-{(2s)-2-hydroxy-3-[(2r)-6-hydroxy-4-oxo-3,4-dihydro-1'h-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide
+C[C@@H]1CC([C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O)(O)O	SMI	spectinomycin
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCN)N	SMK	(3s,6s,7r,9as)-6-{[(2s)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-n-(diphenylmethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide
+CS(=O)(=O)c1ccccc1	SML	phenyl methyl sulfone
+COC(=O)[C@H](CC[S@H](C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	SMM	s-adenosylmethionine methyl ester
+c1ccc(cc1)[C@@H](C(=O)O)O	SMN	(s)-mandelic acid
+O=[Mo](=O)=S	SMO	dioxosulfidomolybdenum(vi) ion
+C[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O	SMP	2'-deoxy-adenosine-5'-sp-monomethylphosphonate
+C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC(=O)C	SMQ	simocyclinone c4
+CCOCC[N@@](C[C@H](C[N@]1CCC[C@]2(C1)CCc3c(ccc4c3cn[nH]4)O2)O)S(=O)(=O)c5c(cccc5C)C	SMR	n-{(2s)-3-[(3s)-8',9'-dihydro-1h,3'h-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-n-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide
+CC1(O[C@H]2[C@H]3[C@@H](CO[C@]2(O1)COS(=O)(=O)N)OS(=O)(=O)O3)C	SMS	sulfamic acid 2,3-o-(1-methylethylidene)-4,5-o-sulfonyl-beta-fructopyranose ester
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCSC	SMT	2'-[(methylthio)ethyloxy]-thymidine-5'-monophosphate
+c1ccc(cc1)c2c3ccc4n3[Mn]56n7c(ccc7c(c8[n+]5c(c4)C=C8)c9ccccc9)cc1[n+]6c2C=C1	SMU	[5,15-diphenylporphyrinato(2-)-kappa~4~n~21~,n~22~,n~23~,n~24~]manganese
+c1cc(sc1)C(=S)N	SMV	thiophene-2-carbothioamide
+CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(O)(O)(OC[C@@H](C(=O)O)N)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC	SMW	(2s)-2-amino-3-[[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[(2r)-2,3-bis[[(z)-octadec-9-enoyl]oxy]propoxy]-dihydroxy-lambda^5-phosphanyl]oxy-propanoic acid
+Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(c4ccccc4)O)SC2)C(=O)O	SMX	(6r,7r)-7-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
+C[C@H]1c2c(ncnc2N3CCN(CC3)C(=O)[C@@H](Cc4c[nH]c5c4cccc5)N)CS1	SMY	(2r)-3-(1h-indol-3-yl)-1-{4-[(5s)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\SC	SMZ	n~5~-[(e)-imino(methylsulfanyl)methyl]-l-ornithine
+CCC[C@@H](C(=O)O)NC(=O)CCC(=O)O	SN0	n-(3-carboxypropanoyl)-l-norvaline
+c1cc(c(cc1O)O)\C=C\C(=O)O	SN1	2,4-dihydroxy-trans cinnamic acid
+c1c(c(cc(c1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N	SN2	5-[bis-2(chloro-ethyl)-amino]-2,4-dintro-benzamide
+[H]/N=C(\N)/N1CC=C(C1)CCNC(=O)[C@@H]2C[C@@H]3C[C@@H]([C@H](C[C@@H]3N2C(=O)[C@@H]([C@@H](C(C)C)Cl)NC(=O)[C@@H](COS(=O)(=O)O)OC)O)O	SN3	(r)-3-((2s,3r)-1-((2s,3ar,5s,6s,7as)-2-(2-(1-carbamimidoyl-2,5-dihydro-1h-pyrrol-3-yl)ethylcarbamoyl)-5,6-dihydroxyocta hydro-1h-indol-1-yl)-3-chloro-4-methyl-1-oxopentan-2-ylamino)-2-methoxy-3-oxopropyl hydrogen sulfate
+COc1ccc(cn1)C(=S)N	SN4	6-methoxypyridine-3-carbothioamide
+CC(=S)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	SN5	2-deoxy-2-(ethanethioylamino)-beta-d-glucopyranose
+C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3)Nc4cc[n+](c5c4cccc5)C	SN6	1-methyl-4-[4-[4-(4-(1-methylquinolinium)amino)benzamido]anilino]pyridinium
+C[n+]1ccc(cc1)Nc2ccc(cc2)NC(=O)c3ccc(cc3N)Nc4cc[n+](c5c4cc(cc5)N)C	SN7	4-[4-[2-amino-4-[4,6-(n-methylquinolinium)amino]benzamido]anilino]-n-methylpyridinium mesylate
+Cc1ccc2c(c1)C(=CCN2C)NC3CCC(CC3)C(=O)NC4CCC(CC4)NC5CCN(CC5)C	SN8	1,6-dimethyl-4-(4-(4-(1-methylpyridinium-4-ylamino)phenylcarbamoyl)phenylamino)quinolinium
+CN1CCC(CC1)NC2CCC(CC2)NC(=O)C3CCC(CC3)NC4=CCN(c5c4cccc5OC)C	SN9	8-methoxy-1-methyl-4-(4-(4-(1-methylpyridinium-4-ylamino)phenylcarbamoyl)phenylamino)quinolinium
+c1cc(ccc1C[C@@H](C(=O)NCCCCCC(=O)N[C@H](CS)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O	SNA	n-{1-[5-(1-carbamoyl-2-mercapto-ethylcarbamoyl)-pentylcarbamoyl]-2-[4-(difluoro-phosphono-methyl)-phenyl]-ethyl}-3-{2-[4-(difluoro-phosphono-methyl)-phenyl]-acetylamino}-succinamic acid
+COc1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Br	SNB	1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline
+C([C@@H](C(=O)O)N)SN=O	SNC	s-nitroso-cysteine
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=S)N	SND	thionicotinamide-adenine-dinucleotide
+CC(C)[C@@]12CCC(=C)[C@@H]1C2	SNE	sabinene
+C[C@@H]1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=[N]45)C=CC=C3	SNF	(n1e, n2e)-n1, n2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(ii) salt
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se]C)CO)O)O	SNG	methyl 2-acetamido-2-deoxy-1-seleno-beta-d-glucopyranoside
+Cc1ccc(c(c1)C)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(s3)C(=O)C	SNH	5'-acetyl-4-{[(2,4-dimethylphenyl)sulfonyl]amino}-2,2'-bithiophene-5-carboxylic acid
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=[Se]	SNI	9-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purine-6-thione
+c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3	SNJ	2,5-diphenyl-4~{h}-pyrazol-3-one
+CC(=O)Sc1c([nH]cn1)C[C@H](C(=O)O)N	SNK	(2~{r})-2-azanyl-3-(4-ethanoylsulfanyl-1~{h}-imidazol-5-yl)propanoic acid
+CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C	SNL	spironolactone
+CN(C)[C@@H](CO)C(=O)O	SNM	n,n-dimethyl-l-serine
+C1[C@@H](C(=O)NC1=O)N	SNN	l-3-aminosuccinimide
+c1cc(ccc1[C@H]2CO2)[N+](=O)[O-]	SNO	(s)-para-nitrostyrene oxide
+CC(C)NC[C@@H](COc1cccc2c1cccc2)O	SNP	1-(isopropylamino)-3-(1-naphthyloxy)-2-propanol
+c1ccn(c1)c2ccc(cc2C#N)N	SNQ	5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile
+C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2	SNR	norbiotin
+c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CC[N@]4CC[C@@H](C4)F)NC(=O)CC[N@]5CC[C@@H](C5)F	SNS	3,6-bis(3-(3'-(s)-fluoropyrrolindino)propionamido)acridine
+Cc1c(c(n(n1)c2ccccc2)C)/C=N/N3CCN(CC3)Cc4ccccc4	SNT	(e)-n-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)methanimine
+c1ccn(c1)c2ccc(cc2)N	SNU	4-(1h-pyrrol-1-yl)aniline
+c1ccc(c(c1)N)N2CCN(CC2)CCO	SNV	2-[4-(2-aminophenyl)piperazin-1-yl]ethanol
+C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O)N)C(=O)O)O)O)O)O	SNW	deoxyfructosylglutamine
+COCCNc1cc(ccc1C(=O)N)n2c3ccccc3c4c2CCCC4=O	SNX	2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9h-carbazol-9-yl)benzamide
+COc1cc(cc(c1O)OC)/C=C/C=O	SNY	(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
+c1cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O	SNZ	n-(3,4-dihydroxyphenyl)-n'-[2-(3,4-dihydroxyphenyl)ethyl]urea
+C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@H]4CC([C@@]3([C@@]2(C4)C=O)C(=O)O)C(C)C)CO[C@H]5[C@H]([C@@H]([C@@H]([C@H](O5)C)OC)O)O	SO1	[1r-(1.alpha.,3a.beta.,4.beta.,4a.beta.,7.beta.,7a.alpha.,8a.beta.)]8a-[(6-deoxy-4-o-methyl-beta-d-altropyranosyloxy)methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1h)-carboxylic acid
+O=S=O	SO2	sulfur dioxide
+[O-]S(=O)[O-]	SO3	sulfite ion
+[O-]S(=O)(=O)[O-]	SO4	sulfate ion
+C[C@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	SO5	(2~{r})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid
+CN(C(=O)[C@H]1CC(=O)N(C1)c2ccc(cc2)OC)OC	SO7	(3~{s})-~{n}-methoxy-1-(4-methoxyphenyl)-~{n}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N	SO8	2'-(l-isoleucyl)amino-2'-deoxyadenosine
+c1ccc(c(c1)CO)N	SOA	isatoic anhydride
+C([C@@H](C(=O)O)N)[SeH](=O)=O	SOC	dioxyselenocysteine
+C[C@@H]1[C@@H](C[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5C[C@@H]6[C@@H]([C@H](O5)C)OCC6=C)Cl	SOD	(1s,4s,5s,6r,9s,11s)-6-chloro-9-formyl-13-isopropyl-5-methyl-2-({[(3ar,5r,7r ,7as)-7-methyl-3-methylenehexahydro-2h-furo[2,3-c]pyran-5-yl]oxy}methyl)tetr acyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic aci
+C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O	SOE	alpha-l-sorbopyranose
+CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccccc4	SOF	2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone
+CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	SOG	octyl 1-thio-beta-d-glucopyranoside
+OS(=O)(=O)[O-]	SOH	hydrogen sulfate
+c1ccc(cc1)Nc2ccc(cc2)N	SOJ	~{n}4-phenylbenzene-1,4-diamine
+C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O	SOL	l-sorbose
+C[P@H](=O)O	SOM	methyl phosphinic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)CP(=O)(O)O)O)O)N	SON	adenosine phosphonoacetic acid
+CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SOO	s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (e)-oct-2-enethioate
+CC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	SOP	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)thio]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate
+CN[C@@H](CC(=O)O)C(=O)O	SOQ	n-methyl-l-aspartic acid
+C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O	SOR	sorbitol
+c1ccc(cc1)CN(C=O)C2=C(N=C(NC2=O)N)N[C@@H]3C[C@@H]([C@H](C3)O)COP(=O)(O)O	SOS	[(1r,2s,4r)-4-({2-amino-5-[benzyl(formyl)amino]-6-oxo-1,6-dihydropyrimidin-4-yl}amino)-2-hydroxycyclopentyl]methyl dihydrogen phosphate
+C1COCCN1S(=O)(=O)O	SOT	morpholine-4-sulfonic acid
+Cc1ccc(cc1C#N)N2C(=O)C=CC2=O	SOV	5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile
+CC1([C@@H](N2[C@H]([S@H]1O)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C	SOX	n-[(2s,4s,6r)-2-(dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylac etamide
+Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)OC[C@@H](C(=O)O)N	SOY	oxacillin-acylated serine
+c1cc(cc(c1)S(=O)(=O)Nc2cc(nn2c3ccc(cc3)F)c4cccs4)F	SP0	3-fluoro-n-[1-(4-fluorophenyl)-3-(2-thienyl)-1h-pyrazol-5-yl]benzenesulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N	SP1	6-(6-amino-purin-9-yl)-2-thioxo-tetrahydro-2-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol
+CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCCC(C)(C)OC)/C)/C)/C)C	SP2	3,4-dihydrospheroidene
+c1cc(sc1)c2cc(n(n2)c3ccc(cc3)F)NS(=O)(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F	SP3	n-[1-(4-fluorophenyl)-3-(2-thienyl)-1h-pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
+CC(=O)NCCCNCCCCNCCCN	SP5	n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
+c1ccc(cc1)CN2C(=O)C=C3N(C2=O)C=C(S3)C(=O)OCc4ccccc4	SP6	benzyl 6-benzyl-5,7-dioxo-6,7-dihydro-5h-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylate
+C[C@@H](CCNCCCCN)NC(=O)C	SP7	n-{(1s)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide
+C[C@@H](CCNCCCCN)NC(=O)c1ccccc1	SP8	n-{(1s)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide
+C[C@H](CCNCCCCN)NC(=O)c1ccccc1	SP9	n-{(1r)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide
+c1cc(sc1)CC(=O)O	SPA	thiopheneacetic acid
+c1ccc(cc1)\C=C\c2ccc(cc2)NC(=O)CCCC(=O)O	SPB	4-(4-styryl-phenylcarbamoyl)-butyric acid
+COc1ccc(cc1)S(=O)(=O)[N@@]2CC(C[C@@H]2C(=O)NO)NOC	SPC	n-hydroxy 1n(4-methoxyphenyl)sulfonyl-4-(z,e-n-methoxyimino)pyrrolidine-2r-carboxamide
+C(CCNCCCN)CN	SPD	spermidine
+C(CN)CNCCCNCCCN	SPE	thermine
+CC1([C@H](C1(C(=O)NCCC(=O)NCCSC(=O)\C=C\c2cc(c(c(c2)OC)O)OC)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)C	SPF	sinapoyl coenzyme a
+c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O	SPG	2-deamino-6-deoxy-6thiophosphite-5'-phosphate guanosine
+CCCCCCCCCCCCCC=C[C@@H]([C@@H](CO)N)O	SPH	sphingosine
+COc1ccc(cc1)S(=O)(=O)[N@@]2CCN(C[C@@H]2C(=O)NO)C(=O)OCc3ccccc3	SPI	n-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-benzyloxycarbonyl-piperazine-2-carboxamide
+C[C@H](CCNCCCCNCC[C@@H](C)N)N	SPJ	(3r,3'r)-n~1~,n~1~'-butane-1,4-diyldibutane-1,3-diamine
+C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+]	SPK	spermine (fully protonated form)
+CCCCCCCCCCCCCC=C[C@H](C(CO)NC(=O)CCCCCCC)O	SPL	octanoic acid (2-hydroxy-1-hydroxymethyl-heptadec-3-enyl)-amide
+C(CCNCCCN)CNCCCN	SPM	spermine
+CC(CC\C=C(/C)\CCCC/C(=C/CCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C)C	SPN	speroidenone
+CC(=CCCC(=CCC/C(=C/C=CC(=CC=C\C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=CCC(C)(C)OC)C)/C)C)C	SPO	spheroidene
+CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)NS(=O)(=O)C	SPP	(1-(5-methansulphonamido-1h-indol-2-yl-carbonyl)4-[methylamino)pyridinyl]piperazine
+C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](CF)(C(=O)O)OP(=O)(O)O	SPQ	(3r,4s,5r)-5-{[(1r)-1-carboxy-2-fluoro-1-(phosphonooxy)ethyl]oxy}-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
+C[C@@H]1C\C=C\C=C\[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C	SPR	spiramycin i
+CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](CO)C[S@@](=O)CSC	SPS	sparsomycin
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CSP(=O)(O)O)O	SPT	5'-thio-thymidine phosphonic acid
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)N)O	SPU	2-{[(r)-{[(2s,3r,4e)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-n,n,n-trimethylethanaminium
+C(C(=O)C(=O)O)S(=O)(=O)O	SPV	sulfopyruvate
+[2H][N+]([2H])([2H])CCC[N+]([2H])([2H])CCCC[N+]([2H])([2H])CCC[N+]([2H])([2H])[2H]	SPW	n,n'-bis(3-ammoniopropyl)butane-1,4-diaminium
+C[C@H]1\C=C\[C@H](C[C@@H]([C@H]([C@H]2[C@H](C(=CC(=O)O2)C[C@@H](C/C(=C/C=C\C(=O)O[C@@H]([C@H](\C=C\[C@@H](C[C@@H]1O)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)OC)/C)OC)O)C)OC)OC	SPX	sphinxolide b
+c1cnccc1S(=O)(=O)O	SPY	pyridine-4-sulfonic acid
+C[C@@H](CCNCCCCNCC[C@H](C)N)N	SPZ	(3s,3's)-n~1~,n~1~'-butane-1,4-diyldibutane-1,3-diamine
+CCNC1C(C(=O)C1=O)NC	SQ	3-ethylamino-4-methylamino-cyclobutane-1,2-dione
+C(CCCO)CCNC1=C(C(=O)C1=O)NCCOCCO	SQ0	3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione
+C1C[N]2(CCC3=[N]([Cu]2[N]4=C1C=CC=C4)C=CC=C3)CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6	SQ1	[n-(2-{bis[2-(pyridin-2-yl-kappan)ethyl]amino-kappan}ethyl)-5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamide]copper
+CC1CCN(CC1)C(=O)Cn2c3ccccc3nn2	SQ2	2-(1h-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one
+c1cc(ccc1N)N2C(=O)C=CC2=O	SQ4	1-(4-aminophenyl)pyrrole-2,5-dione
+c1c(cncc1F)N2C(=O)[C@@H](NC2=O)CC3CCCCC3	SQ5	(5s)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione
+c1cc(ccc1N2C(=O)C=NC2=O)Cl	SQ7	3-(4-chlorophenyl)imidazole-2,4-dione
+CNc1cc2c(cn1)C=C(C(=O)N2CC3OCC(CO3)N)c4ccc(cc4Cl)c5c(cccn5)F	SQ8	1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one
+Cc1c(cccc1S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N	SQ9	3-[2-amino-6-(cyclohexylmethoxy)-7h-purin-8-yl]-2-methylbenzenesulfonamide
+CC(=CCC/C(=C/CC/C(=C/CC\C=C(/C)\CC\C=C(/C)\CCCN(C)C)/C)/C)C	SQA	2-azasqualene
+Cc1ccc(c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC)OC	SQB	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC	SQD	1,2-di-o-acyl-3-o-[6-deoxy-6-sulfo-alpha-d-glucopyranosyl]-sn-glycerol
+CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(cc3Cl)c4cccc(n4)C(F)F)CC5OCC(CO5)N	SQE	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
+c1cc(ccc1NC(=O)CC#N)OC(F)(F)F	SQG	2-cyano-~{n}-[4-(trifluoromethyloxy)phenyl]ethanamide
+c1cc(c(cc1C2=CC(=O)c3ccc(c(c3O2)O)O)O)O	SQH	2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one
+Cc1ccc(c(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC)F	SQK	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
+CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C	SQL	(6e,10e,14e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
+Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N	SQM	4-benzamido-2-methyl-pyrazole-3-carboxamide
+c1c2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=O	SQO	2-{[2-(4-morpholinyl)ethyl]amino}-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+c1ccc(c(c1)c2ccc(cc2)N)C(=O)O	SQP	2-(4-aminophenyl)benzoic acid
+Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)Nc6ccccc6OC	SQQ	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O	SQS	(2s,3r,4e)-2-aminooctadec-4-ene-1,3-diol
+CC(C)CCCCCCCCCCCC[C@@H](C)CCCCCCCC(C)C	SQU	2,10,23-trimethyl-tetracosane
+C[C@@H](c1cc(ccn1)OC)C(=O)OC	SQV	methyl (2~{s})-2-(4-methoxypyridin-2-yl)propanoate
+CC(C)OC(=O)CCC(=O)n1ccc2c1cccc2	SQW	propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate
+C[C@H]1C[C@H](OC1=O)C2=C([C@@H]3\C=C(\[C@H](C[C@@H]4CC[C@]5(O4)CC[C@@]6(O5)[C@](CC[C@H](O6)CC(=C)CCCC7=NC[C@@H]([C@H](C[C@]37CC2)C)C)(C)O)O)/C)C	SQX	13-desmethyl spirolide c
+COC(=O)[C@H](Cc1ccc(cc1)Br)c2ccncc2	SQY	methyl (2~{r})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate
+C[C@@H](c1ccc(cc1)F)n2c3c4cc(ccc4ncc3nn2)c5ccc6c(c5)nco6	SQZ	5-[1-[(1s)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole
+[Sr+2]	SR	strontium ion
+C(CC[NH2+]CCC[NH3+])C[NH3+]	SR0	n~1~-(3-azaniumylpropyl)butane-1,4-diaminium
+CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O	SR1	5-s-methyl-5-thio-alpha-d-ribofuranose
+CN(C)CC=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	SR2	(2e)-n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
+C[C@@]([C@H](C(=O)O)N/C=C/C=O)(C(=O)OCC(=O)N)S(O)O	SR3	(2s,3r)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1e)-3-oxoprop-1-en-1-yl]amino}butanoic acid
+c1ccc2c(c1)C(=CCCO2)C(=O)O	SR4	2,3-dihydro-1-benzoxepine-5-carboxylic acid
+CC(C)C[C@@H](C(=O)O)NC(=O)c1cc(n(n1)c2ccnc3c2ccc(c3)Cl)c4c(cccc4OC)OC	SR5	(2~{s})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid
+c1ccc(c(c1)c2cn3c(csc3n2)CN4CCNCC4)NC(=O)c5cnc6ccccc6n5	SR7	n-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide
+CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)Oc3ccncc3	SR8	1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea
+CC(C)C[C@@H](C(=O)O)NC(=O)c1cn(c2c1cccc2)S(=O)(=O)c3cccc4c3nccc4	SR9	(2~{s})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)O)O)O)N	SRA	adenosine -5'-thio-monophosphate
+[B-]([C@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O	SRB	l-1-naphthyl-2-acetamido-ethane boronic acid
+[B-]([C@@H](Cc1cccc2c1cccc2)NC(=O)C)(O)(O)O	SRD	d-1-naphthyl-2-acetamido-ethane boronic acid
+CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl	SRE	(1s,4s)-4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
+CC(C)[C@H]1C=CC(=O)NCC\C=C\[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O	SRG	(2s)-2-[[(2s)-1-[[(5s,8s,9e)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid
+CCOC(=O)CCC(=O)N1CCc2c1cccc2	SRH	ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
+[H]/N=C(\CO)/C(=O)O	SRI	(2z)-3-hydroxy-2-iminopropanoic acid
+c1ccc(cc1)[C@@H]([C@H]2C3(CCC(N2CC4CC4)CC3)O)O	SRJ	(3~{s})-2-(cyclopropylmethyl)-3-[(~{s})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol
+c1ccc2c(c1)CCN2C(=O)CCC(=O)O	SRK	4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid
+CCOP(=O)(C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC	SRL	[2-(3,5-di-tert-butyl-4-hydroxy-phenyl)-1-(diethoxy-phosphoryl)-vinyl]-phosphonic acid diethlyl ester
+C[C@]1(C2=Cc3c(c(c4n3[Fe@]56N2C(=C1CCC(=O)O)C=C7N5C(=C([C@]7(C)CC(=O)O)CCC(=O)O)C=C8N6C(=C4)C(=C8CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)CC(=O)O	SRM	siroheme
+C[C@H]1[C@H]2C\C=C\[C@H]3[C@@H]([C@H]4C[C@@H](O3)[C@H](O4)/C=C/C=C\C=C/C(=O)O[C@H]5C=C[C@H](C\C=C\CC\C=C\[C@@H]([C@@H]([C@H](O2)C[C@@H]1O)O)O)O[C@H]5/C(=C/[C@H](C)CCCCC(=O)O)/C)C	SRN	sorangicin a
+c1cc2c(cc1O)c(c[nH]2)CCN	SRO	serotonin
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)[C@H](CO)N)O)O)N	SRP	seryl adenylate
+c1ccc2c(c1)CCN2C(=O)CCC(=O)OCC(F)F	SRQ	2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
+CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)OCC	SRR	4,4'-[2-(4-ethoxyphenyl)but-1-ene-1,1-diyl]diphenol
+CC(C)C[C@H](CS(=N)(=N)C)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O	SRS	4-methyl-3-(9-oxo-1,8-diaza-tricyclo[10.6.1.0(13,18)]nonadeca-12(19),13(18),15,17-tetraene-10-carbamoyl)penta-methylsulfonediimine
+[C@H]([C@H](C(=O)O)O)(C(=O)O)O	SRT	s,r meso-tartaric acid
+CCCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)COC(=O)CCCCCCCC[C@@H](C)CCCCCCCC	SRV	(2s)-2-(heptadecanoyloxy)-3-{[(10s)-10-methyloctadecanoyl]oxy}propyl alpha-d-glucopyranosiduronic acid
+CC12C3([Ru]14567(C2(C4(C5(C63C)C)C)C)([n+]8ccccc8C(c9[n+]7cccc9)NC(=O)c1ccc(cc1)S(=O)(=O)N)Cl)C	SRX	chloro{n-[di(pyridin-2-yl-kappan)methyl]-4-sulfamoylbenzamide}[(1,2,3,4,5,6-eta)-(1r,2r,3r,4s,5s,6s)-1,2,3,4,5,6-hexamethylcyclohexane-1,2,3,4,5,6-hexayl]ruthenium(2+)
+[H]/N=C(/N)\N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N\[H])/N)O	SRY	streptomycin
+C(CO)COC[C@@H](C(=O)O)N	SRZ	propoxy-l-serine
+CN(C)CCCn1c2c(ccc3c2C[C@@H](CO3)CN(C)C)nc1N	SS0	(8r)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine
+C[C@@H](c1ccccc1)O	SS1	1-phenylethanol
+C[C@H](c1ccccc1)O	SS2	(1r)-1-phenylethanol
+Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccccc4)N	SS3	(2s)-1-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}-3-phenylpropan-2-amine
+Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccc(cc4)Br)N	SS4	3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.] pyrazole
+Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4cccc(c4)OCC5CCCCC5)N	SS5	(2s)-1-[3-(cyclohexylmethoxy)phenyl]-3-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine
+Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N	SS6	1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1h-pyrazol-5-yl]urea
+Cc1cc(cc(c1OC[C@H](C)N2C(=O)c3ccccc3C2=O)C)OC(=O)C	SS7	4-{[(2s)-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate
+c1ccc(cc1)/C=C\c2coc3c2[nH]c(c3)C(=O)O	SS8	3-phenethyl-4h-furo[3,2-b]pyrrole-5-carboxylic acid
+C(CCNCCCN)CCS	SS9	5-[(3-aminopropyl)amino]pentane-1-thiol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N	SSA	5'-o-(n-(l-seryl)-sulfamoyl)adenosine
+CCCC[C@H]1CC[S@](=O)C1	SSB	3-butylthiolane 1-oxide
+C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O	SSC	(2s,5s)-5-carboxymethylproline
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O	SSD	1,4-dideoxy-1,4-[[2r,3r)-2,4-dihydroxy-3-(sulfoxy)butyl]episulfoniumylidene]-d-arabinitol inner salt
+C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@H](C(CO)OS([O-])([O-])[O-])O)CO)O)O	SSE	1,4-dideoxy-1,4-[[2s,3s)-2,4-dihydroxy-3-(sulfoxy)butyl]episelenoniumylidene]-d-arabinitol inner salt
+Cc1c(c2ccccn2c1C(=O)c3ccc(c(c3)C(=O)O)N)OC	SSF	2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)S)O	SSG	1,4-dithio-beta-d-glucopyranose
+C([C@@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O	SSH	3-deoxy-d-arabino-hexonic acid
+c1c(c2c([nH]1)C(=O)NC=N2)CN[C@@H](CCP(=O)(O)O)CO	SSI	[(3s)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid
+CC1(C=C(C(N1O)(C)C)C#CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)C	SSJ	2'-deoxy-5-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-3-yl)ethynyl]uridine 5'-(tetrahydrogen triphosphate)
+c1ccc(cc1)[C@@H]([C@H](c2ccccc2)N)N	SSK	(1s,2s)-1,2-diphenylethane-1,2-diamine
+CC1(CC2(CC(N1O)(C)C)OCC(CO2)(CO[P@](=O)(O)OP(=O)(O)O)Nc3ccc(cc3[N+](=O)[O-])N=[N+]=[N-])C	SSL	(3-{[2-(dihydroxyamino)-4-(2lambda~5~-triaza-1,2-dienyl)phenyl]amino}-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undec-3-yl)methyl trihydrogen diphosphate
+CC(=O)N[C@@H](CC[S@@](=O)C)C(=O)NC	SSM	(2s)-2-(acetylamino)-n-methyl-4-[(s)-methylsulfinyl]butanamide
+C(CC(=O)O)C=O	SSN	4-oxobutanoic acid
+C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H](C(CO)OS([O-])([O-])[O-])O)CO)O)O	SSO	1,4-dideoxy-1,4-[[2s,3s)-2,4-dihydroxy-3-(sulfoxy)butyl]episulfoniumylidene]-d-arabinitol inner salt
+CCCSSCCC	SSP	dithiobis-(propane)
+c1ccc(c(c1)SC2=NN3C(=NNC3=O)C=C2)Cl	SSQ	6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one
+Cc1c(cccc1F)Cc2c(c3c(c(ccc3n2c4ccccc4)O)C)C(=O)N5CCNCC5	SSR	2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1h-indol-5-ol
+c1nc(c(n1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O	SSS	n-{[5-amino-1-(5-o-phosphono-beta-d-arabinofuranosyl)-1h-imidazol-4-yl]carbonyl}-l-aspartic acid
+C([C@@H](C([C@H](CO)O)O)O)O	SST	l-arabinitol
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O)O)O	SSU	uridine-5'-phosphorothioate
+C\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)C	SSV	(3e,5e,7e,9e,11e,13e)-pentadeca-3,5,7,9,11,13-hexaen-2-one
+c1cc(cc(c1)SC2=NN3C(=NNC3=O)C=C2)OC(F)(F)F	SSW	6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one
+CC(=O)c1cccc(c1)NC(=O)C(F)(F)F	SSY	~{n}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide
+CC(=O)Nc1c(cc(cc1O)C(=O)O)[N+](=O)[O-]	ST1	4-(acetylamino)-3-hydroxy-5-nitrobenzoic acid
+CC(=O)Nc1c(cc(cc1O)C(=O)O)N	ST2	4-(acetylamino)-5-amino-3-hydroxybenzoic acid
+CC(=O)Nc1ccc(cc1N)C(=O)O	ST3	4-(acetylamino)-3-amino benzoic acid
+CC(=O)Nc1ccc(cc1NC(N)N)C(=O)O	ST4	4-(acetylamino)-3-guanidinobenzoic acid
+CC(=O)Nc1ccc(cc1NC(=O)CO)C(=O)O	ST5	4-(acetylamino)-3-[(hydroxyacetyl)amino]benzoic acid
+CC(=O)Nc1ccc(cc1NC(=O)C[NH3+])C(=O)O	ST6	4-(acetylamino)-3-[(aminoacetyl)amino]benzoic acid
+[H]/N=C(/NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)Cn3c(cnn3)CO/N=C/c4ccnc5c4cccc5)\NC(=O)NC	ST7	n,n-dibenzyl-n~5~-[n-(methylcarbamoyl)carbamimidoyl]-n~2~-{[5-({[(e)-(quinolin-4-ylmethylidene)amino]oxy}methyl)-1h-1,2,3-triazol-1-yl]acetyl}-l-ornithinamide
+c1cc(ccc1C(=O)N)Nc2nc(c(c(n2)OCC3CCCCC3)N=O)N	ST8	4-{[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino}benzamide
+CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	ST9	stearoyl-coenzyme a
+CC(C)C[C@@H]([C@H](CC(=O)O)O)N	STA	statine
+c1cc(ccc1C(=O)NCCCCNCS)S(=O)(=O)N	STB	4-sulfonamide-[4-(thiomethylaminobutane)]benzamide
+c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl	STC	3-[(4-chloroanilino)sulfonyl]thiophene-2-carboxylic acid
+C[C@H]1[C@H]2C=C[C@@]3(CO3)[C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=C\C(=C/4\C(=O)[C@@H](N(C4=O)[C@@H]5CC[C@@H]([C@@H](O5)C)O)[C@H](C)C(=O)NC)\O)C	STD	streptolydigin
+CCCCCCCCCCCCCCCCCC(=O)O	STE	stearic acid
+c1cc(ccc1C[C@@H]2C(=O)N=C(S2)S)C(F)(F)F	STF	(5r)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4-one
+C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O	STG	estriol 3-(b-d-glucuronide)
+c1ccc2c(c1)C(S[C@H](O2)N)O	STH	2-amino-4h-1,3-benzoxathiin-4-ol
+Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C	STI	4-(4-methyl-piperazin-1-ylmethyl)-n-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
+c1cc(cc(c1)C(=O)N)c2cc(ncn2)Nc3ccc(cc3)OC(F)(F)F	STJ	3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide
+c1cc(cc(c1)Cl)SC2=NN3C(=NNC3=O)C=C2	STK	3-(3-chlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one
+c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O	STL	resveratrol
+Cc1c(c(c(nc1C(=O)OC)c2ccc3c(n2)C(=O)C(=C(C3=O)OC)N)N)c4cccc(c4O)OC	STM	methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylate
+CC(C)C[C@H](CN(C=O)O)C(=O)O	STN	2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoic acid
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	STO	staurosporine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@H]([C@@H](O3)CO[P@](=S)(O)O[P@](=O)(O)OP(=O)(O)O)O)N	STP	2'-deoxyadenosine 5'-o-(1-thiotriphosphate)
+c1ccc2c(c1)CCC[C@@H]2N	STQ	(1~{s})-1,2,3,4-tetrahydronaphthalen-1-amine
+CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C	STR	progesterone
+c1ccc(cc1)C[C@H](CS)c2[nH]c3cc[nH+]cc3n2	STS	2-[(1s)-1-benzyl-2-sulfanylethyl]-1h-imidazo[4,5-c]pyridin-5-ium
+c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)Oc4ccccc4F)/C=C/5\C(=O)N(C(=S)S5)CCS(=O)(=O)O	STT	2-[(5~{e})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC	STU	staurosporine
+CCS(=O)(=O)NCc1ccc2c(c1)OCO2	STV	~{n}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O	STW	stachyose
+CC(C)(C)c1nnc(o1)C(=O)CNC	STX	1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-(methylamino)ethanone
+c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O	STY	tyrosine-o-sulphonic acid
+CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)N=O	STZ	streptozotocin
+COc1ccc2c(c1)OC(=O)C=C2CC(=O)Nc3ccc(cc3)S(=O)(=O)N	SU0	2-(7-methoxy-2-oxo-2h-chromen-4-yl)-n-(4-sulfamoylphenyl)acetamide
+Cc1c[nH]c(c1CCC(=O)O)\C=C/2\c3ccccc3NC2=O	SU1	3-[(3-(2-carboxyethyl)-4-methylpyrrol-2-yl)methylene]-2-indolinone
+c1ccc2c(c1)C(C(=O)N2)Cc3ccc(cc3)N4CCN(CC4)C=O	SU2	3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone
+CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C	SU3	(5r,7s,10s)-10-tert-butyl-n-{(1r,2r)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1h,5h-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3h)-carboxamide
+C[C@](CN(C1CC1)S(=O)(=O)c2ccc(cc2)O)(c3ccccc3)O	SU4	n-cyclopropyl-4-oxidanyl-n-[(2r)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide
+c1ccc2c(c1)cc([nH]2)C(=O)c3cccnc3	SU5	1~{h}-indol-2-yl(pyridin-3-yl)methanone
+Cc1c(c([nH]c1/C=C\2/c3ccccc3NC2=O)C)CCC(=O)O	SU6	3-{2,4-dimethyl-5-[(z)-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-1h-pyrrol-3-yl}propanoic acid
+c1ccc(cc1)CC2CCN(CC2)C(=O)CC#N	SU7	3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile
+CCCC[C@H](CC(=O)O)C(=O)O	SU8	(2r)-2-butylbutanedioic acid
+COc1ccc2c(c1)/C(=C/c3cnc[nH]3)/C(=O)N2	SU9	(3z)-3-(1h-imidazol-5-ylmethylene)-5-methoxy-1h-indol-2(3h)-one
+c1cc(ccc1NC(=S)OCCc2ccsc2)S(=O)(=O)N	SUA	(4-sulfamoyl-phenyl)-thiocarbamic acid o-(2-thiophen-3-yl-ethyl) ester
+CCOC(=O)C(Cc1ccccc1)NC(=O)[C@@H]2CSCC[N@]2S(=O)(=O)c3ccc(cc3)C	SUB	3-phenyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-propionic acid ethyl ester
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O	SUC	sucrose
+C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)OP(=O)(O)O	SUD	4-diphosphocytidyl-2-c-methyl-d-erythritol 2-phosphate
+CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1	SUE	(1ar,5s,8s,10r,22ar)-5-tert-butyl-n-{(1r,2s)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8h-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide
+CS(C)CC(O)(P(=O)(O)O)P(=O)(O)O	SUF	[2-(dimethyl-lambda~4~-sulfanyl)-1-hydroxyethane-1,1-diyl]bis(phosphonic acid)
+C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N	SUG	n~2~-(3-carboxypropanoyl)-l-arginine
+C[C@@H](CC(=O)O)C(=O)O	SUH	(2s)-2-methylbutanedioic acid
+C1[C@@H](C(=O)N(C1=O)CC(=O)O)N	SUI	(3-amino-2,5-dioxo-1-pyrrolidinyl)acetic acid
+C[C@H]([C@@H](C(=O)O)N1[C@@H](CC[C@@H](C1=O)N)O)O	SUJ	(2r,3r)-2-[(3s,6r)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid
+[O-]S(=O)(=O)[O-]	SUL	sulfate anion
+CCO[P@](=O)(N(C)C)OC[C@@H](C(=O)O)N	SUN	o-[(r)-(dimethylamino)(ethoxy)phosphoryl]-l-serine
+C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN	SUO	n~2~-(3-carboxypropanoyl)-l-ornithine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO)O)O)O)O	SUP	sucrose-6-phoshpate
+c1cc(ccc1SC2=NN3C(=NNC3=O)C=C2)Cl	SUQ	6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one
+C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	SUR	1-(beta-d-ribofuranosyl)-2-thio-uracil-5'-phosphate
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O	SUS	2-deoxy-3,6-di-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose
+Cc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2	SUT	6-(m-tolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2h)-one
+Cc1ccc(c(c1)C(=O)N2CCN(CC[C@H]2C)c3nc4cc(ccc4o3)Cl)n5nccn5	SUV	[(7r)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2h-1,2,3-triazol-2-yl)phenyl]methanone
+CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc3ccccc3c2)O)O)(C(=O)O)OC)O	SUW	me-a-9-n-(naphthyl-2-carbonyl)-amino-9-deoxy-neu5ac
+CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Sc5cncnc5)Cl	SUY	(1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
+CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@](=O)C)F)CC(=O)O	SUZ	[(1z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1h-inden-3-yl]acetic acid
+c1ccc(cc1)CCOC(=O)Cc2ccc(cc2C=O)N	SV1	2-phenylethyl 2-(4-azanyl-2-methanoyl-phenyl)ethanoate
+c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N	SV2	[{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid) 
+Cc1cccnc1N2CCCNCC2	SV4	1-(3-methylpyridin-2-yl)-1,4-diazepane
+c1ccc(cc1)Cn2ccc3c2C=CNC3=O	SV5	1-(phenylmethyl)-5~{h}-pyrrolo[3,2-c]pyridin-4-one
+CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5	SV6	(1s,3ar,6as)-2-[(2s)-2-({(2s)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-n-[(2r,3s)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide
+c1ccc(cc1)P(=O)(O)O	SV7	phenylphosphonic acid
+c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4c[nH]c5c4CNC5=O	SV8	3-[3-(phenylmethyl)-1~{h}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{h}-pyrrolo[3,4-b]pyrrol-6-one
+C([C@@H](C(=O)O)N)O[V](O)([O-])([O-])[O-]	SVA	serine vanadate
+CN1CCN(CC1)NC(=O)CN2C(=O)/C(=C/c3c(ccc(c3Cl)Cl)Cl)/SC2=S	SVB	n-(4-methylpiperazin-1-yl)-2-[(5z)-4-oxo-2-thioxo-5-(2,3,6-trichlorobenzylidene)-1,3-thiazolidin-3-yl]acetamide
+CC(C)(C)[C@H]1CC(=O)N(N1O)C	SVD	(5~{r})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one
+CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC(F)(F)F)C(=O)NC6CCN(CC6)C)CC3)CC	SVE	n-(2,6-diethylphenyl)-1-methyl-8-({4-[(1-methylpiperidin-4-yl)carbamoyl]-2-(trifluoromethoxy)phenyl}amino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+CC(=O)N1CCC(CC1)Cc2ccc(cc2)F	SVF	1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone
+C/C(=N\Cc1cccnc1)/c2ccc(cc2)Cl	SVG	(~{e})-1-(4-chlorophenyl)-~{n}-(pyridin-3-ylmethyl)ethanimine
+c1c(cc2c(c1c3c[nH]c4c3CNC4=O)cn[nH]2)F	SVH	3-(6-fluoranyl-1~{h}-indazol-4-yl)-4,5-dihydro-1~{h}-pyrrolo[3,4-b]pyrrol-6-one
+CN1[C@@H]2CC[C@H]1CC(C2)N	SVJ	(1~{s},5~{r})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
+c1ccc(cc1)Cc2c[nH]c3c2cccn3	SVK	3-(phenylmethyl)-1~{h}-pyrrolo[2,3-b]pyridine
+c1ccnc(c1)CCNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3	SVM	1-[(1~{r},2~{r},4~{s})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea
+c1cnc2c(n1)c(cs2)N	SVN	thieno[2,3-b]pyrazin-7-amine
+CC(C)(C)[P](CCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)(C(C)(C)C)[Pd]3(CC=C3c4ccccc4)Cl	SVP	chloro{di-tert-butyl[2-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-lambda~5~-phosphanyl}(1-phenylprop-1-ene-1,3-diyl-kappa~2~c~1~,c~3~)palladium
+c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2CCc3ccc(cc3)Cl)C(=O)O)Cl	SVQ	1-(4-chlorophenethyl)-2-(2-chlorophenyl)-6-oxopiperidine-3-carboxylic acid
+Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	SVR	8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-1,3,5-naphthalenetrisulfon ic acid
+c1ccc(c(c1)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	SVS	5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine
+COc1ccc2c(c1)cn[nH]2	SVT	5-methoxy-1~{h}-indazole
+C([C@@H](C(=O)O)N)O[P@](=O)(N)O	SVV	o-[(s)-amino(hydroxy)phosphoryl]-l-serine
+C([C@@H](C(=O)O)N)O[P@@](=O)(N)O	SVW	o-[(r)-amino(hydroxy)phosphoryl]-l-serine
+CCO[P@](=O)(C)OC[C@@H](C(=O)O)N	SVX	o-[(r)-ethoxy(methyl)phosphoryl]-l-serine
+CC(C)OP(=O)(OC[C@@H](C(=O)O)N)OC(C)C	SVY	o-[bis(1-methylethoxy)phosphoryl]-l-serine
+CC(C)N[P@@](=O)(O)OC[C@@H](C(=O)O)N	SVZ	o-[(s)-hydroxy(isopropylamino)phosphoryl]-l-serine
+c1cc(sc1)c2nc(cs2)CN	SW1	1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine
+c1ccn(c1)c2cccc(c2)CN	SW2	1-[3-(1h-pyrrol-1-yl)phenyl]methanamine
+Cc1cc(nn1C)CN	SW3	1-(1,5-dimethyl-1h-pyrazol-3-yl)methanamine
+c1c(cncc1OC[C@@H]2CCN2)[C@H]3C[C@@H]3CCO	SW4	2-[(1r,2s)-2-[5-[[(2s)-azetidin-2-yl]methoxy]pyridin-3-yl]cyclopropyl]ethanol
+c1cc(ccc1Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F	SW5	3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+Cc1ccc(cc1)C(=O)N	SW7	4-methylbenzamide
+c1cc(cc(c1)F)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5	SW8	3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+C1C[C@H]([C@@H]2[C@@H]([C@@H](C[N@]2C1)O)O)O	SWA	1s-8ab-octahydro-indolizidine-1a,2a,8b-triol
+Cc1c[nH]c2c1cc(cn2)c3c[nH]c4c3CNC4=O	SWB	3-(3-methyl-1~{h}-pyrrolo[2,3-b]pyridin-5-yl)-1~{h}-pyrrolo[3,4-b]pyrrol-6-one
+c1csc2c1ncnc2Cl	SWD	4-chloranylthieno[3,2-d]pyrimidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O	SWE	alpha-d-fructofuranosyl alpha-d-glucopyranoside
+CC(=O)C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O	SWF	s-warfarin
+c1ccc2c(c1)c(c[nH]2)\\C=C/3\\C(=O)N(C(=N3)[C@H](CO)N)CC(=O)O	SWG	2-[(4z)-2-[(1r)-1-amino-2-hydroxy-ethyl]-4-(1h-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid
+[B-](c1ccc(cc1)COc2ccc(cc2)\C=C/3\C(=O)N(C(=O)S3)Cc4ccc(cc4)F)(O)(O)O	SWH	{4-[(4-{(z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-)
+C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](C\C=C(\C=C\C(=O)O[C@@H]([C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]4CC=C[C@H](O4)C[C@@H](CC=C(\C=C\C(=O)O2)C)O)OC)C)O)O)C)[C@@H](C)[C@H]([C@H](C)CC[C@H]5C[C@@H](C[C@@H](O5)C)OC)O)/C)O)OC)C)O)O)C)O)OC	SWI	swinholide a
+CC(=O)[C@H](CC#C)NC(=O)CN	SWJ	2-azanyl-~{n}-[(3~{s})-2-oxidanylidenehex-5-yn-3-yl]ethanamide
+c1ccc(c(c1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F	SWK	3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5	SWN	3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{h}-pyrrolo[2,3-b]pyridine
+C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)N4CCC(=CC4=O)c5c(ccc(c5F)Cl)F	SWP	methyl ((10r,14s)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate
+CSc1cccc(c1)SC2=NN3C(=NNC3=O)C=C2	SWQ	6-(3-methylsulfanylphenyl)sulfanyl-2~{h}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
+CC(C)(C1CCC(CC1)NC(=O)c2cc3cnc(cc3nc2)N4CCC4)O	SWS	7-(azetidin-1-yl)-~{n}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide
+Cc1ccc(cc1)SC2=NN3C(=NNC3=O)C=C2	SWT	6-(4-methylphenyl)sulfanyl-2~{h}-[1,2,4]triazolo[4,3-b]pyridazin-3-one
+c1ccc(c(c1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cnccn3)F	SWV	~{n}-[3-[(2-fluorophenyl)sulfamoyl]phenyl]pyrazine-2-carboxamide
+C(CSC[C@H](C(=O)O)N)O	SWW	(2~{s})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid
+c1cc(ccc1CO)c2cncnc2	SWX	(4-pyrimidin-5-ylphenyl)methanol
+COc1ccc(cc1)n2c(nnc2SCCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccncc6	SWY	2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione
+O=S	SX	sulfur oxide
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)Br	SX0	(2s)-2-amino-4-({[(2s,3s,4r,5r)-5-(4-amino-5-bromo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)
+c1cc(c(cc1Br)C(=O)O)N	SX1	2-amino-5-bromobenzoic acid
+c1cc(ncc1Br)NC(=O)CCC(=O)O	SX2	4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid
+C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2N)Br)C	SX3	4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline
+c1ccc(c(c1)C[C@H]2CCCN2C(=O)c3cc(ccc3N)Br)Cl	SX4	4-bromo-2-{[(2r)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline
+C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)O)Br)C	SX5	4-[(4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid
+C[C@H]1C[C@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)N3CCOCC3)Br)C	SX6	n-(4-bromo-2-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide
+CCn1c(ccn1)c2c[nH]c3c2cc(cn3)c4ccc(c(c4)C(=O)N(C)C)N	SX7	2-amino-5-[3-(1-ethyl-1h-pyrazol-5-yl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylbenzamide
+Cn1cc(cn1)c2ccc3nnc(n3n2)Sc4ccc5c(c4)cccn5	SX8	6-{[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline
+CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXA	thioacetic acid s-{2-[3-(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butyrylamino)-propionylamino]-ethyl} ester
+CCO[P@](=O)(CCCc1cc2c3c(c1)C[S@+]([Pd]3([S@@+](C2)C)Br)C)Oc4ccc(cc4)[N+](=O)[O-]	SXC	bromo(4-{3-[(r)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-2,6-bis[(methylsulfanyl-kappas)methyl]phenyl-kappac~1~)palladium(2+)
+CC(=O)CC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXD	n-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+CCO[P@@](=O)(NC(C)C)OC[C@@H](C(=O)O)N	SXE	o-{(s)-ethoxy[(1-methylethyl)amino]phosphoryl}-l-serine
+c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F	SXG	2,3,4,5,6-pentafluoro-n-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide
+CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXH	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
+c1cc(c(c(c1)Cl)c2[nH]nnn2)O[C@H]3CC[C@H]4CN[C@@H](C[C@H]4C3)C(=O)O	SXI	(3s,4as,6s,8ar)-6-[3-chloro-2-(1h-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid
+C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(CC(=C(C5(C)C)O)C#N)C)C)(C)C)C(=O)O	SXJ	(13alpha,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oic acid
+c1cc(ccc1c2ccc(cc2F)F)OCC(=O)O	SXK	[(2',4'-difluorobiphenyl-4-yl)oxy]acetic acid
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O	SXM	3-{[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid
+CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H](C(C)(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)COC(=O)CCCCCCCCCCCC(C)C)O)O)O)O)/C)/C	SXN	salinixanthin
+CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXO	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate
+c1cc(c(cc1SC2=NN3C(=NNC3=O)C=C2)Cl)Cl	SXQ	3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one
+CC(C)(COP(O)O)[C@@H](C(=O)NCCC(=O)NCCSCCC(=O)CCc1ccccc1)O	SXR	n~3~-{(2s)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide
+c1cc2c(cc1N)S(=O)(=O)NC2=O	SXS	6-amino-1,2-benzothiazol-3(2h)-one 1,1-dioxide
+CC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SXV	n~3~-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-n-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide
+COc1cc(cc(c1O)OC)\C=C\C(=O)O	SXX	sinapinate
+CC(C)CC(=O)N[C@@H](CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C(=O)O	SXZ	(2s)-4-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid
+c1ccc(c(c1)CN2C(=O)c3ccccc3N=C2N4CCC[C@H](C4)N)C#N	SY1	2-({2-[(3r)-3-aminopiperidin-1-yl]-4-oxoquinazolin-3(4h)-yl}methyl)benzonitrile
+CC(C)[C@H]1C=CC(=O)NCCCC[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O	SY2	n-{[(1s)-2-methyl-1-{[(5s,8s)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-l-valine
+CCCS(=O)(=O)Nc1cc(c(cc1F)F)N	SY4	~{n}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide
+CN(CC(=O)O)NC(=O)C[C@@H](C[C@H](CNCCCN)O)N	SY5	2-[[[(3~{r},5~{r})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid
+COc1cc(ccn1)CN2[C@H]([C@@H](NC2c3ccnc(c3)OC)c4ccnc(c4)OC)c5ccnc(c5)OC	SY7	2-methoxy-4-[[(4~{s},5~{s})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine
+CC(=O)CCCN	SY8	5-azanylpentan-2-one
+c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5	SY9	strychnine
+COc1c(c(cc(c1F)F)C(=O)O)F	SYA	2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid
+c1ccnc(c1)CP(=O)(O)O	SYC	(pyridin-2-ylmethyl)phosphonic acid
+c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O	SYD	[(5-phenylpyridin-2-yl)methyl]phosphonic acid
+c1ccc2c(c1)ccc(n2)CP(=O)(O)O	SYE	(quinolin-2-ylmethyl)phosphonic acid
+CC[C@@H](c1ccccc1O)N	SYG	2-[(1~{s})-1-azanylpropyl]phenol
+C=C1CCN(CC1)C(=O)Cn2c3ccccc3nn2	SYH	2-(1h-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one
+c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2	SYJ	2-fluoranyl-~{n}-(furan-2-ylmethyl)benzenesulfonamide
+C[C@H](C[C@@H](C(=O)[O-])N)C(=O)O	SYM	2s,4r-4-methylglutamate
+C=Cc1ccccc1	SYN	ethenylbenzene
+CCCCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	SYO	[(3s)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxooctylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate
+CCC(=O)NCCNc1cc(ncn1)NCCS	SYP	n-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide
+Cc1cccc(n1)C(=O)N[C@@H](C)C2CC2	SYQ	(s)-n-(1-cyclopropylethyl)-6-methylpicolinamide
+COc1cc(cc(c1O)OC)C(=O)OC	SYR	syringate
+C([C@@H](C(=O)O)N)[Se]CC(=O)N	SYS	3-[(2-amino-2-oxoethyl)selanyl]-l-alanine
+C[N@@+]12CCc3cc4c(cc3[C@@H]1Cc5ccc6c(c5C2)OCO6)OCO4	SYT	(5s,12bs)-5-methyl-6,7,12b,13-tetrahydro-2h,4h,10h-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquinolino[3,2-a]isoquinolin-5-ium
+CN1c2ccc(cc2OC1=O)N	SYV	6-azanyl-3-methyl-1,3-benzoxazol-2-one
+C[C@@H]1CN(CCN1S(=O)(=O)c2ccc3c(c2)OC(=O)N3)C(=O)c4ccc5c(c4)ccn5C	SYW	(r)-6-((2-methyl-4-(1-methyl-1h-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3h)-one
+COC(=O)c1c(ccs1)NC(=O)Cc2cccs2	SYY	methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate
+Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O	SYZ	n-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide
+c1ccc(cc1)C[C@@H]([C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)O)S(=O)(=O)c3ccncc3)O)N	SZ0	(2s,4r)-1-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxylic acid
+C1CCCC(CC1)N	SZ1	cycloheptanamine
+c1cnccc1c2nc(on2)C3CCCCC3	SZ2	5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole
+C1CC(CCC1N)O	SZ3	trans-4-aminocyclohexanol
+COc1cccc(c1)CN	SZ4	1-(3-methoxyphenyl)methanamine
+Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2	SZ5	2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
+Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)F)C(=O)c4ccc(cc4O)O)Cl	SZ6	n-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-n-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide
+c1cc(sc1)/C=N/NC(=O)C2CC2	SZ7	~{n}-[(~{e})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide
+CN1C[C@@H](C[C@H]1C(=O)OC)N	SZ8	methyl (4r)-4-amino-1-methyl-l-prolinate
+Cc1cc(c(o1)C)CN	SZ9	1-(2,5-dimethylfuran-3-yl)methanamine
+c1cc(sc1)CCNC(=O)c2ccncc2	SZA	~{n}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
+C1=CC(=O)NC1=O	SZB	succinimide
+c1cc2c(c(c1)S(=O)(=O)NC3CCCC3)[nH]c(n2)c4ccc(cc4)C(F)(F)F	SZC	n-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-benzimidazole-4-sulfonamide
+c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)(F)F)NC(=O)c3cc(cc(c3)F)F	SZD	3,5-bis(fluoranyl)-~{n}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide
+CN1CC[N@](CC1=O)c2c(cccn2)F	SZE	4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one
+c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)F	SZG	~{n}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide
+C[C@@H](CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)COC(=O)C(C(F)(F)F)NN	SZH	(2s,6e)-8-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2s)-3,3,3-trifluoro-2-hydrazinopropanoate
+c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)OC(F)F)NC(=O)c3cc(cc(c3)F)F	SZJ	~{n}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide
+CCn1c2ccccc2nc1NCc3ccco3	SZK	(1-ethyl-1h-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee
+COc1c2c([nH]cn2)ncn1	SZL	6-methoxy-9h-purine
+Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O	SZN	n-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide
+c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)(F)F	SZP	n-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide
+COc1cc(ccc1O)/C=C/C(=O)OC	SZQ	trans-methylferulate
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)O	SZS	methyl 3-o-[3-(benzyloxy)-3-oxopropanoyl]-beta-d-galactopyranoside
+c1ccc(c(c1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O	SZV	4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid
+CN(c1c2c3ccc(cc3[nH]c2ncn1)Cl)[C@H]4CCCN(C4)CCC#N	SZW	3-[(3~{s})-3-[(7-chloranyl-9~{h}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile
+Cc1ccncc1NC(=O)C	SZY	n-(4-methylpyridin-3-yl)acetamide
+C=CC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	SZZ	sinigrin
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T	thymidine-5'-monophosphate
+c1ccc(cc1)C[C@@H]([C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)O)N	T00	n-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]-l-phenylalanine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F	T01	n-(4-fluorobenzoyl)-l-gamma-glutamyl-o-[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]-l-serine
+Cc1cc(c2c(nn(c2n1)c3ccc(cc3)Cl)C(C)C)C(=O)O	T02	1-(4-chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+c1cc(ccc1CSc2[nH]cnn2)F	T03	3-[(4-fluorobenzyl)sulfanyl]-4h-1,2,4-triazole
+c1cc(ccc1\C=C/2\C(=O)NC(=S)S2)NCc3ccc(c(c3)C(=O)NC(CCC(=O)O)C(=O)O)F	T04	2-[[2-fluoro-5-[[[4-[(z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid
+Cc1cccc(c1)Oc2cc(ccc2C(=O)O)S(=O)(=O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C	T05	4-{[(3s)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)piperidin-1-yl]sulfonyl}-2-(3-methylphenoxy)benzoic acid
+CCc1cc(c2c(nn(c2n1)c3ccc(cc3)F)C(CC)CC)C(=O)O	T06	6-ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
+c1cc(c(cc1Cl)Cl)CSc2[nH]c(nn2)N	T07	5-[(2,4-dichlorobenzyl)sulfanyl]-4h-1,2,4-triazol-3-amine
+Cc1cc(ccc1OC[C@H](CO)O)C(C)(C)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O	T08	(2s)-3-{4-[2-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propan-2-yl]-2-methylphenoxy}propane-1,2-diol
+C1CC2=C(NC1)N=C(NC2=O)N	T0A	5-deazatetrahydropterin
+COc1cc2c(cc1OC)nc(nc2N)N3CCN([C@@H]4[C@H]3CCCC4)C(=O)c5ccco5	T0B	[(4~{a}~{r},8~{a}~{s})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](OC(=O)C)S(=O)(=O)O)NC(=O)OCC(C)(C)c2cccc(c2)Cl	T0D	(2~{s})-~{n}-[(1~{r})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{r})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide
+c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)C(=O)NCc5ccn[nH]5)F	T0E	5-[(3s,4r)-3-{[(2h-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-n-[(1h-pyrazol-5-yl)methyl]benzamide
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CCC2=C=CCCCC(C)(C)O	T0H	(1r,3s,z)-5-(2-((3as,7as,e)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4h-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
+c1cn(cn1)c2cc(c(cc2O)O)C[C@@H](C(=O)O)N	T0I	(2s)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid
+c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N	T0J	n~1~-phenylpiperidine-1,4-dicarboxamide
+CC[Hg]Sc1ccccc1C(=O)O	T0M	thiomersal
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(NC3N(CCN3C)C)O)O	T0N	~{n}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidous acid
+c1ccc(cc1)C(=O)CN2C=[N](C3=C2C(=O)NC(=N3)N)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)F	T0P	[(2~{r},3~{r},4~{s},5~{r})-5-(2-azanyl-6-oxidanylidene-7-phenacyl-1~{h}-purin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(NC3N(CCN3C)C)O)O	T0Q	~{n}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidous acid
+CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3	T0R	 toremifene
+CC(=O)NCc1ccc(cc1)S(=O)(=O)N	T0S	n-[(4-sulfamoylphenyl)methyl]acetamide
+c1ccc(c(c1)/C=C/c2ccc(cc2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N	T0T	(1r)-1-{4-[(e)-2-(2-aminophenyl)ethenyl]phenyl}-1,4-anhydro-2-deoxy-5-o-phosphonato-d-erythro-pentitol
+c1cc(cc(c1)F)CNCc2ccco2	T0V	1-(3-fluorophenyl)-n-[(furan-2-yl)methyl]methanamine
+CCN(Cc1ccoc1)C(=O)Cn2c3ccccc3nn2	T0W	2-(benzotriazol-1-yl)-~{n}-ethyl-~{n}-(furan-3-ylmethyl)ethanamide
+c1cscc1CN2CCC(CC2)O	T0Y	1-[(thiophen-3-yl)methyl]piperidin-4-ol
+c1ccc(cc1)C[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	T10	[1-(1-benzyl-3-hydroxy-2-oxo-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
+c1cc(ccc1C[C@@H](C(=O)O)N)C2(NN2)C(F)(F)F	T11	4-[3-(trifluoromethyl)diaziridin-3-yl]-l-phenylalanine
+CC(C)(C)C(=O)Oc1ccc2c(c1)nc(n2CCCO)NC(=O)c3cccc(c3)[N+](=O)[O-]	T12	1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]-1h-benzimidazol-5-yl pivalate
+COc1ccc(cc1F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F	T13	2,3,4,5,6-pentafluoro-n-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
+c1ccc(c(c1)c2cc(c3c(c2)nc([nH]3)C4=NOC5(C4)CCCCC5)C(F)(F)F)C(F)(F)F	T14	3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1h-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene
+Cc1c(n(cn1)CC(=O)NC(C)(C)C)CNC(=O)CN2C(=CC=C(C2=O)NS(=O)(=O)Cc3ccccc3)C	T15	2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2h)-yl}-n-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1h-imidazol-5-yl}methyl)acetamide
+B([C@H](CCC(Br)Br)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccccc2)NC(=O)CCCC=O)(O)O	T16	borolog2
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCn4cc(nn4)CCCC(=O)NCC(=O)O)C	T17	{[4-(1-{3-[(3as,4r,7r,9r,10r,11r,13r,15r,15ar)-10-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2h-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4h)-yl]propyl}-1h-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid
+CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(N2)C3=C(c4cc(ccc4N(C3=O)Cc5ccc(cc5)F)F)O	T18	n-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4h-1,4-benzothiazin-7-yl}methanesulfonamide
+B([C@H](C(C)C)NC(=O)c1cccn1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)(O)O	T19	phenylmethylenecarboxy-(methyleneamino-formyl-diphenylmethyl)methy-pro-boroval
+CC[As+](CC)(CC)CC	T1A	tetraethylarsonium ion
+CCc1ccc2c(c1)nc([nH]2)c3cnnn3C	T1B	5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazole
+CC(C)(C)NCC(=O)Nc1cc(c2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)[NH+](C)C)O)O)[NH+](C)C	T1C	tigecycline
+COc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccccc3	T1D	5-(4-methoxybiphenyl-3-yl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide
+CN/C(=N/C)/NC1CCN(CC1)c2cc(cc(c2)OC)OC	T1E	1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine
+C[C@@H]([C@H](C)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O	T1G	(2s,3s)-3-hydroxy-2-methylbutanoyl-coa
+CN/C(=N\C)/NC1CCN(CC1)CC(=O)NCc2ccc3c(c2)nc([nH]3)c4cnnn4C	T1H	2-[4-[[(~{e})-~{n},~{n}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{n}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazol-5-yl]methyl]ethanamide
+c1ccc(c(c1)CNc2[nH]c3ccccc3n2)O	T1J	2-{[(1h-benzimidazol-2-yl)amino]methyl}phenol
+CCN(C)c1cc(nc2n1ccn2)c3ccccc3O	T1K	2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol
+C[C@@H]1[C@H](CCCN1Cc2ccccc2)O	T1M	(2r,3r)-1-benzyl-2-methylpiperidin-3-ol
+C[C@@H](c1ccc2cc(ccc2c1)SC)C(=O)O	T1N	(2s)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid
+CC(=O)CNC(=O)CCCC[C@@H]1[C@@H]2[C@H](CS1)NC(=O)N2	T1O	5-[(3as,4r,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]-n-(2-oxopropyl)pentanamide
+C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)COP(=O)(O)O	T1P	3-{2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate
+CCCS(=O)(=O)Nc1ccc(c(c1F)C2=Cc3cnc(nc3N(C2=O)C)NCCCO)F	T1Q	n-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@@H]3C[C@@H]2O4)O)S(=O)(=O)c5ccc(cc5)OC	T1R	(1r,3as,5r,6s,7ar)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1cc(cc(c1)Cl)CN2CCOCC2	T1S	4-[(3-chlorophenyl)methyl]morpholine
+c1cc2c(c3c1[nH]nc3)c4c(c(n2)c5cn[nH]c5C(F)(F)F)CS(=O)CC4	T1T	7-(3-(trifluoromethyl)-1h-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide
+CC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2	T1V	1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+C[C@H]1CCCCN1C(=O)N2CCOCC2	T1W	[(2~{s})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone
+CC(=O)N1CCN(CC1)S(=O)(=O)c2cccc(c2)F	T1Y	1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1cc(c(cc1n2cc(nn2)CO)Cl)Cl	T1Z	[1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol
+c1ccc(cc1)n2c3ccc(cc3nc2NC(=O)c4cccc(c4)N(=O)=O)CN5CCCCC5	T20	3-nitro-n-[1-phenyl-5-(piperidin-1-ylmethyl)-1h-benzimidazol-2-yl]benzamide
+c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O	T21	2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5h)-one
+CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N	T22	2-({6-[(3r)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}methyl)benzonitrile
+C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O	T23	2'-o-methyl-3'-methyl-3'-deoxy-arabinofuranosyl-thymine-5'-phosphate
+CC\C=C/C[C@@H](\C=C\C=C/CCCCCCCC(=O)O)O	T24	(9z,11e,13s,15z)-13-hydroxyoctadeca-9,11,15-trienoic acid
+CCCCC[C@H]1[C@H](O1)C\C=C/CCCCCCCC(=O)O	T25	(9z)-11-[(2r,3s)-3-pentyloxiran-2-yl]undec-9-enoic acid
+c1cc(cc(c1)NCc2ccc(cc2)\C=C/3\C(=O)NC(=S)S3)C(=O)N[C@H](CCC(=O)O)C(=O)O	T26	(2r)-2-[[3-[[4-[(z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]methylamino]phenyl]carbonylamino]pentanedioic acid
+Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N	T27	4-{[4-({4-[(e)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
+c1cc2c(cc1Br)c-3c([nH]2)CCCc4c3nc(nc4)N	T28	11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine
+B([C@H](CCCSC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc2ccccc2)NC(=O)CC)(O)O	T29	tri166 (bifunctional boronate inhibitor)
+Cc1c2cnc(nn2c(n1)c3ccccc3)Nc4cc(c(c(c4)OC)OC)OC	T2A	5-methyl-7-phenyl-n-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
+c1cc(ccc1O)Oc2c(cc(cc2I)C[C@@H](CO)N)I	T2B	4-{4-[(2s)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol
+C1CS[C@H](N1)C(=O)O	T2C	(2s)-1,3-thiazolidine-2-carboxylic acid
+c1ccc(cc1)N2CC(=O)NS2(=O)=O	T2D	1,2,5-thiadiazolidin-3-one-1,1-dioxide
+c1cc(cnc1)CNc2ccc(cc2C(=O)O)N	T2E	5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid
+Cc1cccc(c1)CN2CCN(CC2)C(=O)C	T2G	1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
+CCOc1cccc(c1)c2nnc(s2)N	T2H	5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
+CC(=O)N1CCN(CC1)c2ccccc2[N+](=O)[O-]	T2J	1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one
+c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)Cl)Cl	T2K	3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid
+CC(C)(C)OC(=O)NN(C)C#N	T2M	tert-butyl 2-cyano-2-methylhydrazinecarboxylate
+O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1	T2N	3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane
+C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O	T2P	3-{2,6,8-trioxo-9-[(2s,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate
+CS(=O)(=O)C1CCN(CC1)c2cccc(c2)CN3C=C(C=CC3=O)c4nc(no4)c5ccc(cc5)OC(F)(F)F	T2Q	1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3C[C@H]2O4)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C	T2R	(1s,3ar,5s,6r,7as)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2s,3r)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=S)(O)S)O	T2S	thymidine-5'-dithiophosphorate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)C[C@H](C)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=C(C(=O)NC4=O)C)OC)O	T2T	[(2s,3s,5r)-3-[(2s)-3-({[(2r,3s,4r,5r)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}amino)-2-methyl-3-oxopropyl]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
+CC(=O)N1CCC[C@H](C1)c2nc3ccccc3s2	T2V	1-[(3r)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one
+C[C@@H](/C=C\C(=O)NC1CCC(CC1)C/C=C(\C)/C=C/[C@@H]2C[C@@](CC(O2)(C)C)(C)O)OC(=O)NC	T2W	[(~{z},2~{s})-5-[[4-[(2~{e},4~{e})-3-methyl-5-[(2~{s},4~{r})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{n}-methylcarbamate
+CC(=O)NCc1ccc2c(c1)OCO2	T2Y	n-[(2h-1,3-benzodioxol-5-yl)methyl]acetamide
+CC[C@@H]([C@@H](C)[C@@H]1[C@H](O1)C[C@](C)(/C=C/C=C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O)O	T2Z	[(2~{s},3~{s},4~{e},6~{s},7~{r},10~{r})-3,7-dimethyl-2-[(2~{e},4~{e},6~{r})-6-methyl-6-oxidanyl-7-[(2~{r},3~{r})-3-[(2~{r},3~{s})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate
+c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O	T3	3,5,3'triiodothyronine
+CC(C)n1c(nnc1C2(CC2)c3ccc(cc3)F)c4ccc(cc4)OC(F)(F)F	T30	3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4h-1,2,4-triazole
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)O)O	T31	thymidine 5'-monothiophosphate
+C[C@@H]1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)N2C=C(C(=O)NC2=O)C	T32	6'-alpha-methyl carbocyclic thymidine 5'-monophosphate
+c1cc(c(cc1C[C@@H](C(=O)O)N)I)Oc2ccc(c(c2)I)O	T33	3,3'-deiodo-thyroxine
+Cc1ccc(cc1NCc2ccccc2)C(=O)NO	T34	4-methyl-~{n}-oxidanyl-3-[(phenylmethyl)amino]benzamide
+CC[C@@H](c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC	T35	2-[4-[5-[(1~{s})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid
+CC1=CN(C(=O)N=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T36	split linkage thymidine 5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N	T37	3'-amino-2'deoxythymidine 5'-monophosphate
+CCOCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O	T38	2'-o-ethoxymethylene thymidine 5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC	T39	2'-o-methoxyethylene thymidine 5'-monophosphate
+C(CNC(CO)(CO)CO)CS(=O)(=O)O	T3A	n-(tris(hydroxymethyl)methyl)-3-aminopropanesulfonic acid
+CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)Nc4ccccc4	T3B	2-(2-methylpropanoylamino)-~{n}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCNCC4)C#N	T3C	2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C/C=C/CC(=O)O)O	T3D	(~{e})-6-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)S(=O)(=O)N)C#N	T3E	3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
+C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O	T3F	(3r,4s,5r,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
+CC(=O)N1CCN(CC1)S(=O)(=O)c2c(cccc2F)F	T3G	1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+CN/C(=N\C)/Nc1ccc(cc1)N2CCC[C@H]2C(=O)NCc3ccc4c(c3)nc([nH]4)c5cnnn5C	T3H	(2~{s})-1-[4-[[(~{e})-~{n},~{n}'-dimethylcarbamimidoyl]amino]phenyl]-~{n}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{h}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide
+CC(=O)N1CCO[C@H](C1)c2ccc(cc2)F	T3J	1-[(2r)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one
+C/C(=N\OCCC(=O)N1CCOCC1)/c2ccc(c(c2)OC3CCCC3)OC	T3K	3-[(~{e})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one
+COc1cc(cc(c1OC)OC)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N	T3M	4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid
+CC(=O)Nc1ccc(cc1)OCC(=O)O	T3N	2-(4-acetamidophenoxy)ethanoic acid
+CC1=CC[C@H]2C[C@@H]1[C@@H](OC2(C)C)c3ccc(cc3)O	T3O	4-[(1s,2r,5s)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O	T3P	thymidine-3'-phosphate
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O	T3Q	[(3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3CCCCC3)O	T3S	5'-deoxy-5'-piperidin-1-ylthymidine
+c1ccnc(c1)CNCc2ccc3c(c2)OCO3	T3T	1-(1,3-benzodioxol-5-yl)-~{n}-(pyridin-2-ylmethyl)methanamine
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2F	T3V	1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1cc(ccc1c2cn3c(n2)CC=NC3=O)I	T3W	2-(4-iodophenyl)-8~{h}-imidazo[1,2-c]pyrimidin-5-one
+c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	T3Y	25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid
+Cc1cccc(n1)C(=O)N[C@H](C)C2CC2	T3Z	(r)-n-(1-cyclopropylethyl)-6-methylpicolinamide
+Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCNCC4	T40	5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2h)-one
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OC	T41	1-(2-o-methyl-beta-d-arabinofuranosyl)thymidine 5'-monophosphate
+B([C@H](CCCOC)NC(=O)c1cccn1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N[C@@H](N4CCOCC4)O)(O)O	T42	morpholino-diphenylalanine-methoxypropylboronic acid
+c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N	T44	3,5,3',5'-tetraiodo-l-thyronine
+COC(=O)c1cn[nH]n1	T45	methyl 2h-1,2,3-triazole-4-carboxylate
+C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O	T46	dtdp-4-keto-6-deoxyglucose
+CC(=O)N1CCN(CC1)Cc2cccc(c2)Cl	T47	1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H]([C@@H]2O)COP(=O)(O)O)O	T48	6'-alpha-hydroxy carbocyclic thymidine 5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)COP(=O)(O)O)O	T49	s4'-2'deoxythymidine 5'-monophosphate
+c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O	T4A	3,3',5,5'-tetraiodothyroacetic acid
+CCc1c(c(nn1c2ccccc2c3cccc(c3)OCC(=O)O)c4ccccc4)c5ccccc5	T4B	((2'-(5-ethyl-3,4-diphenyl-1h-pyrazol-1-yl)-3-biphenylyl)oxy)acetic acid
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2C#N	T4D	2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile
+c1ccc(cc1)c2c(nnc(n2)N)c3ccc(c(c3)Cl)O	T4E	4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol
+C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@H](CC3CCCCC3)NS(=O)(=O)N[C@@H](CCCCN)C(=O)O	T4F	(2~{s})-6-azanyl-2-[[(2~{s})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{r},2~{s},4~{r})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta nyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid
+Cc1cc(cc(n1)C)c2c(nc(nn2)N)c3ccccc3	T4G	6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine
+c1cc(cc(c1)Cl)C(=O)NCCN2C(=O)CSC2=O	T4H	3-chloro-n-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide
+CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2	T4J	n-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O	T4K	(2r,3r,4s,5s,6r)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+C[C@@H](c1cccc2c1cccc2)NC(=O)C	T4M	n-[(1r)-1-(naphthalen-1-yl)ethyl]acetamide
+COc1ccc(cc1)NC(=O)C[C@H]2C(=O)NCCS2	T4N	~{n}-(4-methoxyphenyl)-2-[(2~{s})-3-oxidanylidenethiomorpholin-2-yl]ethanamide
+C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O	T4P	3-{2,6,8-trioxo-9-[(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate
+c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCCS	T4Q	2-(2-cyanophenyl)sulfanyl-~{n}-(3-sulfanylpropyl)benzamide
+CC1=CN(C(=O)N=C1[SeH])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T4S	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroseleno-5-methylpyrimidin-2(1h)-one
+CCCCCCCCCCCCCCSCC(=O)O	T4T	2-tetradecylsulfanylethanoic acid
+CC(=O)N1CCN(CC1)Cc2cccc3c2cccc3	T4V	1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one
+c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCS	T4W	2-(2-cyanophenyl)sulfanyl-~{n}-(2-sulfanylethyl)benzamide
+Cc1ccccc1CN2CCCN(CC2)C(=O)C	T4Y	1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one
+c1cc(ccc1SCC(=O)NCCCS)Cl	T4Z	2-(4-chlorophenyl)sulfanyl-~{n}-(3-sulfanylpropyl)ethanamide
+Cc1cccc2c1nc(n2Cc3c(cccc3F)F)c4c(cccc4F)F	T50	1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1h-benzimidazole
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3ccccc3COc4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-]	T51	n-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
+CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCC[NH3+]	T52	n-{6-[3-(4-aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide
+CN1CCN(CC1)Cc2ccc(cc2)C(=O)NCc3cccc(c3)COc4ccccc4NC(=O)c5cccc(c5)[N+](=O)[O-]	T53	n-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
+c1cscc1[C@@H]2CCC[C@@H]2C(=O)N	T54	(1r,2s)-2-(thiophen-3-yl)cyclopentane-1-carboxamide
+CC(C)CCCCCCC(=O)O	T55	8-methylnonanoic acid
+c1ccc2c(c1)c3cccc(c3o2)/C=C/C(=O)NO	T56	(e)-3-dibenzofuran-4-yl-n-oxidanyl-prop-2-enamide
+c1cc(ccc1C(=O)NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)F	T57	n-{6-[(4-fluorobenzoyl)amino]hexanoyl}-l-gamma-glutamyl-5-{[(s)-{[(1s)-1,3-dicarboxypropyl]amino}(hydroxy)phosphoryl]oxy}-l-norvaline
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC/C=C/COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6	T58	2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	T5A	p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]([C@@H](COc4cc(cc(c4OC)OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)O)O	T5B	2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione
+C\C(=C/C=CC1=[N+](c2ccc(cc2C1(C)C)S(=O)(=O)O)CCS(=O)(=O)O)\C=C\C=C\3/C(c4cc(ccc4N3CCS(=O)(=O)O)S(=O)(=O)O)(C)C	T5C	2-{(1e,3z,5e,7e)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2h-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3h-indolium
+c1ccnc(c1)C2(CCCC2)CO	T5D	[1-(pyridin-2-yl)cyclopentyl]methanol
+CN1CCN(CC1)CCCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCCN6CCN(CC6)C)NCCCCN7CCN(CC7)C)CCCCN8CCN(CC8)C	T5E	2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1 ,3,6,8(2h,7h)-tetrone
+C1CCC(CC1)C[C@@H](C(=O)NC23CC4CC(C2)CC(C4)C3)NS(=O)(=O)N[C@@H](CCCCN)C(=O)O	T5F	(2~{s})-2-[[(2~{s})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid
+c1cc(ccc1S(=O)(=O)N)Br	T5G	4-bromobenzene-1-sulfonamide
+COc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OC[C@H]([C@H](COc4c(cc(cc4OC)[C@@H](C(=O)N5CCCC[C@H]5C(=O)O2)C6CCCCC6)OC)O)O	T5H	2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione
+Cc1ccc(cc1F)Nc2cc(c3c(n2)cccc3O)C	T5J	2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O	T5K	[[(2r,3s,5r)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4s,5r,6r)-6-methyl-5-[(e)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
+CC(C)(C)c1cc(ccc1O)C(=O)N2Cc3ccccc3C2	T5M	2-tert-butyl-4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)phenol
+CC(C)(C(=O)NCCS)Oc1ccc(cc1)Br	T5N	2-(4-bromanylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+COC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T5O	2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate)
+C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O)COP(=O)(O)O	T5P	3-{2,6,8-trioxo-9-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphate
+CC(C)(C(=O)NCCS)Oc1cc(cc(c1)F)F	T5Q	2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+C[Se]C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	T5S	 2'-deoxy-5-(methylselanyl)uridine 5'-phosphate
+CC(C)(C(=O)NCCS)Oc1ccc(cc1)F	T5T	2-(4-fluoranylphenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+c1c(cncn1)N	T5V	pyrimidin-5-amine
+CC(C)(C(=O)NCCS)Oc1cc(cc(c1)Cl)Cl	T5W	2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H](COP(=O)(O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	T5X	2-c-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia zol-3-ium-2-yl}-5-o-phosphono-d-xylitol
+c1ccnc(c1)O	T5Y	pyridin-2-ol
+CC(C)(C(=O)NCCS)Oc1ccc(c(c1)OC)Br	T5Z	2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO	T61	3-benzamido-4-chloranyl-~{n}-oxidanyl-benzamide
+c1ccc2c(c1)c3nc(nn3c(n2)Cc4cc(cc(c4)O)O)N	T62	5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol
+CC1=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O[C@H]4C[C@H](N5[C@@H](C1=NC2=O)[C@@](C(=O)NC5=O)(C)O)O[C@@H]4COP(=O)(O)O)O)O	T64	(6-4)photoproduct
+CCCCCCCCCC/C=C/CCC(=O)/C=N/CC(=O)O	T65	2-[e-(e-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid
+CC1=CN(C(=O)NC1=O)CC(=O)N(CCN)[C@H](CCCCN)C(=O)O	T66	2-aminoethyllysine-carbonylmethylene-thymine
+CN1CCN(CC1)C(=O)Cc2c[nH]c3c2cccn3	T67	1-(4-methylpiperazin-1-yl)-2-(1h-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one
+c1ccnc(c1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	T68	n-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-d-glucopyranosylamine
+C[C@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O	T6A	n-[n-(9-b-d-ribofuranosylpurin-6-yl)carbamoyl]threonine-5'-monophosphate
+c1c(cc(c(c1Cl)O)Cl)Cl	T6C	2,4,6-trichlorophenol
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O	T6D	alpha-d-glucopyranosyl 6-o-decanoyl-alpha-d-glucopyranoside
+c1cc(ccc1c2csc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F	T6E	1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	T6F	2-c-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-o-phosphono-d-glucitol
+CC(C)(C(=O)NCCS)Oc1ccccc1	T6H	2-methyl-2-phenoxy-~{n}-(2-sulfanylethyl)propanamide
+CS(=O)(=O)Cc1[nH]c2ccccc2n1	T6J	2-[(methylsulfonyl)methyl]-1h-benzimidazole
+C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H](C(=O)[C@H](O3)C)O)O)O	T6K	(2r,3r,4r,6r)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2h-pyran-2-yl {(2r,3s,5r)-3-hydroxy-5-[(5r)-5-methyl-2,4-dioxotetrahydropyrimidin-1(2h)-yl]tetrahydrofuran-2-yl}methyl dihydrogen diphosphate
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)Cl	T6M	1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+Cc1ccc(cc1)OC(C)(C)C(=O)NCCS	T6N	2-methyl-2-(4-methylphenoxy)-~{n}-(2-sulfanylethyl)propanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)O)O)O	T6P	trehalose-6-phosphate
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCN(CC4)C(=O)C)C#N	T6Q	2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O)O)O)O)O	T6S	alpha-d-glucopyranosyl 6-o-sulfo-alpha-d-glucopyranoside
+C1[C@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O	T6T	alpha-d-tagatopyranose
+CC(=O)N(c1ccccc1)[C@@H]2CS(=O)(=O)C=C2	T6V	n-[(3s)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-phenylacetamide
+CC(C)(C(=O)NCCS)Oc1ccc(cc1Cl)[N+](=O)O	T6W	2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{n}-(2-sulfanylethyl)propanamide
+CC(=O)N1CCN(CC1)Cc2ccc(s2)Cl	T6Y	1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
+CN1c2ccccc2C(=CC1=O)CP(=O)(O)O	T6Z	[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
+Cc1ccc(c(c1)S(=O)(=O)N2CCN(CC2)C(=O)C)C	T71	1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F	T72	3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid
+C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)c3ccc(cc3)O	T73	(1s,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate
+Cc1cccc(c1Nc2c3cnc(nc3n(n2)CCC(C)(C)OC)Nc4ccc(cc4)N5CCNCC5)C	T74	n~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-n~6~-(4-piperazin-1-ylphenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,6-diamine
+CCc1nc(c(s1)c2ccnc(c2)NC(=O)c3ccccc3)c4cccc(c4)C	T75	tak-715
+c1cc2c(cc1Cl)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)CCNC(=O)CO2)C4CCCCC4	T76	(6r,21as)-17-chloro-6-cyclohexyl-2,3,6,7,10,11,19,20-octahydro-1h,5h-pyrrolo[1,2-k][1,4,8,11,14]benzoxatetraaza-cycloheptadecine-5,8,12,21(9h,13h,21ah)-tetrone
+CN(C)CCOc1ccc(cc1)c2c(c3c([nH]2)ncnc3NCC4SCCS4)c5ccccc5	T77	6-{4-[2-(dimethylamino)ethoxy]phenyl}-n-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(=O)Nc1nc2c(cccc2s1)OC	T7A	n-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
+CC(=O)N1CCC(CC1)NC(=O)c2ccccc2	T7D	n-(1-acetylpiperidin-4-yl)benzamide
+CC(=O)N1CCC(CC1)C(=O)Nc2ccccc2O	T7G	1-acetyl-n-(2-hydroxyphenyl)piperidine-4-carboxamide
+Cc1ccc(cc1)N([C@H]2CS(=O)(=O)C=C2)C(=O)C	T7J	n-[(3r)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-(4-methylphenyl)acetamide
+c1cc(ccc1C[N+]23CC[N+]45[Yb]2678([N+](CC4)(CC[N+]6(CC3)CC(=O)O7)CC(=O)O8)OC(=O)C5)O	T7K	neutral yb(iii)-caged complex
+CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC	T7M	(2r)-1-(heptadecanoyloxy)-3-{[(r)-hydroxy{[(1r,2r,3r,4r,5s,6r)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+CC(=O)OCc1cccc(c1)c2cccc(c2)C(=O)O	T7O	3-[3-(acetyloxymethyl)phenyl]benzoic acid
+CC(=O)N(c1ccc(cc1)F)[C@H]2CS(=O)(=O)C=C2	T7P	n-[(3r)-1,1-dioxo-2,3-dihydro-1h-1lambda~6~-thiophen-3-yl]-n-(4-fluorophenyl)acetamide
+CC(=O)N1CCC(CC1)C(=O)N2CCCCC2	T7S	1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one
+C[C@H](c1cccc(c1)Cl)NC(=O)C	T7V	n-[(1s)-1-(3-chlorophenyl)ethyl]acetamide
+CC(C)(CC(=O)N1Cc2c([nH]cn2)C[C@@H]1c3nc(no3)c4ccncc4)CC(=O)O	T7W	(r)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5h-imidazo[4,5-c]pyridin-5-yl)pentanoic acid
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C/CCCCC	T7X	phosphatidylinositol
+CC(=O)Nc1cccc(c1)N2CCCC2=O	T7Y	n-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
+Cc1ccc(cc1S(=O)(=O)N2CCOCC2)Nc3ncc(c(n3)C4=C(NC(=NC)S4)C)C#N	T7Z	4-(4-methyl-2-methylimino-3h-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile
+CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC	T80	methylpenta(oxyethyl) heptadecanoate
+CC(=O)N1CCN(CC1)Cc2ccc(s2)Br	T81	1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
+c1cc(cc(c1)Cl)[C@@H](CN)C(=O)N/N=C/c2ccc(c(c2)Br)O	T82	(s,e)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium
+CC(=O)N1CCN(CC1)Cc2ccsc2	T84	1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one
+COc1ccc(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NO	T86	3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{n}-oxidanyl-benzamide
+[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)C4(CC4)/C(=N\OCC(=O)OCC)/c5ccccn5)\N	T87	[(1-{2[(4-carbamimidoyl-phenylamino)-methyl]-1-methyl-1h-benzoimidazol-5-yl}-cyclopropyl)-pyridin-2-yl-methyleneaminooxy]-acetic acid ethyl ester
+CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@H](COc2ccc(cc2)NS(=O)(=O)C)O	T88	n-{4-[(2r)-3-{butyl[2-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+CC(=O)N1Cc2ccccc2[C@@H](C1)c3ccccc3	T8A	1-[(4s)-4-phenyl-3,4-dihydroisoquinolin-2(1h)-yl]ethan-1-one
+COc1c2c(cc3c1c(c(c(c3)CC(=O)O)C(=O)/C=C(/c4ccccc4O)\O)OC)cc5c(c2O)C(=O)OC(=C5)C(=O)OC	T8B	thermorubin
+CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(s2)Cl	T8D	1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
+C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)SCC(=O)OC2CCCCC2	T8G	(2~{s},3~{r},4~{r})-4-(2-cyclohexyloxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-2-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-5-carboxylic acid
+CC(=O)N1CCN(CC1)C(=O)c2cccs2	T8J	1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one
+C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)S	T8L	thio-phosohothreonine
+CC(=O)N1CCN(CC1)Cc2cccs2	T8M	1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
+COC(=O)C/C(=C\C(=O)O)/C(=O)O	T8N	(2e)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid
+CC(=O)N1CCN(CC1)c2ccc(cc2)OC	T8P	1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
+CC(C)N(C)C(=O)C1CCN(CC1)C(=O)C	T8S	1-acetyl-n-methyl-n-(propan-2-yl)piperidine-4-carboxamide
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)NC(=NC2=O)N	T8T	2'-deoxyguanosine-5'-o-(1-thiotriphosphate)
+CC(=O)Nc1cccnc1Cl	T8V	n-(2-chloropyridin-3-yl)acetamide
+c1cc(ccc1Cc2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)Cc1cc(cc(c1O)C3)Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-])O)S(=O)(=O)[O-]	T8W	4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate
+CCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS(=O)(=O)O)CO)O	T8X	2-o-sulfo-alpha-d-glucopyranosyl 2-o-hexadecanoyl-3-o-[(2e,4s,6s,8s)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-d-glucopyranoside
+CC(=O)N1CCN(CC1)C(=O)C	T8Y	1,1'-(piperazine-1,4-diyl)di(ethan-1-one)
+Cn1c(cnn1)c2[nH]c3cc(ccc3n2)CN4CCC[C@H]4c5ccncc5	T8Z	2-(1-methyl-1h-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1h-benzo[d]imidazole
+Cc1nnc(n1Cc2ccccc2)SCc3cc(ccc3OC)C(=O)C	T90	1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone
+CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1	T91	n-[2-(1h-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4OC(=O)C=C)Cl	T92	2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate
+CCCCCCOc1ccnc(c1)NC(P(=O)(O)O)P(=O)(O)O	T93	[[(4-hexoxypyridin-2-yl)amino]-phosphono-methyl]phosphonic acid
+CCCCCCCCC(=O)c1cc(c(c(c1)O)O)O	T94	1-(3,4,5-trihydroxyphenyl)nonan-1-one
+CCOc1ccccc1Oc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)CCO)C(=O)Nc5c(cccc5C)C	T95	n-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide
+CC(C)CN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O	T97	n-{4-[(2s)-3-{[2-(3,4-dichlorophenyl)ethyl](2-methylpropyl)amino}-2-hydroxypropoxy]phenyl}methanesulfonamide
+CC1(c2cc(ccc2NC(=S)O1)c3ccc(n3C)C#N)C	T98	5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2h-3,1-benzoxazin-6-yl)-1-methyl-1h-pyrrole-2-carbonitrile
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N	T99	adenosine-5'-sp-alpha-thio-triphosphate
+Cc1ccc2c(c1)[C@H](N(CC(=O)N2)C(=O)c3ccc(s3)Br)c4cc(cc(c4)C)C	T9A	(5r)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one
+COc1ccc(cc1)CNC(=O)[C@@H]2CCCO2	T9B	(2s)-n-(4-methoxybenzyl)tetrahydrofuran-2-carboxamide
+c1cc2cn(cc2cc1OC3CCNCC3)C4=C(C(=O)NN=C4)C(F)(F)F	T9D	5-{5-[(piperidin-4-yl)oxy]-2h-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2h)-one
+C[C@H]([C@@H](C(=O)O)N)[SeH]	T9E	selenothreonine
+CC[C@H](c1ccccc1O)N	T9G	2-[(1r)-1-aminopropyl]phenol
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)S(=O)(=O)c6cccs6	T9H	2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide
+CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCC#CBr	T9J	nalpha-acetyl-n-(3-bromoprop-2-yn-1-yl)-l-tyrosinamide
+COC(=O)COc1ccc(cc1)C#N	T9K	methyl 2-(4-cyanophenoxy)ethanoate
+C[C@H]([C@H](C(=O)NCC=C)NC(=O)C)O	T9M	n~2~-acetyl-n-prop-2-en-1-yl-d-allothreoninamide
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)O)C#N	T9N	2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile
+CC(=O)N[C@@H](CC(=O)N)C(=O)NCC=C	T9P	n~2~-acetyl-n~1~-prop-2-en-1-yl-l-aspartamide
+COCC(=O)NCc1ccccc1	T9Q	n-benzyl-2-methoxyacetamide
+CCOC(=O)N1Cc2ccncc2C1	T9S	ethyl 1,3-dihydro-2h-pyrrolo[3,4-c]pyridine-2-carboxylate
+c1ccc(cc1)[Sn](c2ccccc2)c3ccccc3	T9T	triphenylstannanyl
+CC(=O)Nc1ccc(cc1)OC	T9V	n-(4-methoxyphenyl)acetamide
+c1cc(ccc1N2C(=O)CCC2=O)OCC(=O)[O-]	T9W	2-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]acetate
+CCOC(=O)c1cn[nH]c1C(F)(F)F	T9Y	ethyl 5-(trifluoromethyl)-1h-pyrazole-4-carboxylate
+c1ccc2c(c1)ccc(c2O)C[NH+]3CCOCC3	T9Z	2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol
+[Ta]	TA0	tantalum
+CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C	TA1	taxol
+c1ccc(cc1)[C@@H]([C@H](CO)O)N	TA2	(2r,3s)-3-amino-3-phenylpropane-1,2-diol
+C[C@@H]1CN2[C@H]1N(C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	TA3	(4s,5r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methyl-1,3-diazabicyclo[2.2.0]hexan-2-one
+CC(C)C[C@@H](C(=O)O)n1cc(nn1)CN	TA4	(s)-2-[4-(aminomethyl)-1h-1,2,3-triazol-1-yl]-4-methylpentanoic acid
+c1c(n[nH]n1)CO	TA5	2h-1,2,3-triazol-4-ylmethanol
+C([C@@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O	TA6	6-o-phosphono-beta-d-tagatofuranose
+COc1ccc(cc1)C(=O)CC(=O)C(F)(F)F	TA7	4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione
+C[C@@H](C[C@@H](C[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	TA8	polyacrylic acid
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cccc-3c2C(=O)c4c3cccc4)O)O)O	TA9	9-oxo-n-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-piperidin-2-yl]methyl]fluorene-1-carboxamide
+c1cc(ccc1C[P@](=O)(O)O[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(C(Cl)Cl)O)NC(=O)C(F)(F)F	TAA	[4-(2,2,2-trifluoro-acetylamino)-benzyl]-phosphonic acid mono-[2-(2,2-dichloro-1-hydroxy-ethylamino)-3-hydroxy-1-(4-nitro-phenyl)-propyl] ester
+CCc1c(c(nc(n1)N)N)c2ccc(c(c2)N=NN(CCOC(=O)C)Cc3ccccc3)Cl	TAB	acetic acid n-[2-chloro-5-[6-ethyl-2,4-diamino-pyrimid-5-yl]-phenyl]-[benzyl-triazen-3-yl]ethyl ester
+C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O	TAC	tetracycline
+c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N	TAD	beta-methylene-thiazole-4-carboxyamide-adenine dinucleotide
+CC1=CN(C(=O)NC1=O)C\C=C\C[P@](=O)(O)OP(=O)(O)O	TAE	n1-[(e)-4-dihydroxyphosphonyl-but-2-enyl]-thymine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	TAF	2'-deoxy-2'-fluoro-arabino-furanosyl thymine-5'-phosphate
+C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O	TAG	d-tagatose
+c1ccc(cc1)COc2ccccc2C(=O)NN	TAH	2-(benzyloxy)benzohydrazide
+C[C@@H]1C[C@]2([C@@]([C@H]3[C@H]1[C@@]4([C@@H]([C@H]3O)[C@H]5[C@H]([C@@H]([C@@H]4OC(=O)C)OC(=O)C)[C@@]6([C@H](C[C@H]7[C@@H]([C@@H]6OC(=O)C)O7)C(=O)[C@@H]5O)C)C)([C@](C(=O)O2)(C)O)C)O	TAJ	taccalonolide aj
+c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5	TAK	6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
+Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@H](C)O)O)O	TAL	9-(6-deoxy-alpha-l-talofuranosyl)-6-methylpurine
+C(CO)C(CCO)(CCO)N	TAM	tris(hydroxyethyl)aminomethane
+CC(C)(C)C#N	TAN	2,2-dimethylpropanenitrile
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](C[C@@]3(CO3)C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C	TAO	troleandomycin
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N	TAP	7-thionicotinamide-adenine-dinucleotide phosphate
+c1cc2c(cc1N)c(nc(n2)N)N	TAQ	2,4,6-triaminoquinazoline
+[C@H]([C@@H](C(=O)O)O)(C(=O)O)O	TAR	d(-)-tartaric acid
+O[As](O)O	TAS	trihydroxyarsenite(iii)
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N	TAT	adenosine-5'-rp-alpha-thio-triphosphate
+C(CS(=O)(=O)O)N	TAU	2-aminoethanesulfonic acid
+CN([C@@H](CC(=O)O)C(=O)O)C(=O)c1cc(ccc1NS(=O)(=O)c2ccc3ccccc3c2)OS(=O)(=O)c4ccc5ccccc5c4	TAV	n-methyl-n-{2-[(2-naphthylsulfonyl)amino]-5-[(2-naphthylsulfonyl)oxy]benzoyl}-l-aspartic acid
+COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@@H]4CCN(C4)C(=O)C=C)N	TAW	futibatinib
+CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC[NH+](C)C)/c3ccccc3	TAX	(z)-2-[4-(1,2)-diphenyl-1-butenyl)-phenoxy]-n,n-dimethylethanaminium
+CC(C)(C)C(=O)N	TAY	2,2-dimethylpropanamide
+C[C@@]1([C@@H](N2[C@@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3	TAZ	tazobactam
+[Tb+3]	TB	terbium(iii) ion
+CC(C)(C)[N+]#[C-]	TB0	tert-butyl isocyanide
+c1ccc(cc1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O	TB1	(3s)-3-(benzyloxy)-l-aspartic acid
+CC(C)(C)c1ccc(cc1)CC=O	TB2	(4-tert-butylphenyl)acetaldehyde
+c1ccn(c1)c2ccc(cc2)N3CCOCC3	TB5	4-(4-pyrrol-1-ylphenyl)morpholine
+C[C@H](CP(=O)(O)O)O	TB6	[(2r)-2-hydroxypropyl]phosphonic acid
+CC(C)(C)OC(=O)N1CC(C1)NC2=Nc3c(cccn3)C(=O)N2	TB7	tert-butyl 3-[(4-oxo-3h-pyrido[2,3-d]pyrimidin-2-yl)amino]azetidine-1-carboxylate
+c1ccc(c(c1)/C=C/C(=O)NO)Cl	TB8	(~{e})-3-(2-chlorophenyl)-~{n}-oxidanyl-prop-2-enamide
+C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C	TB9	4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione
+CCCC[N+](CCCC)(CCCC)CCCC	TBA	tetrabutylammonium ion
+CC(C)(C)NC(=O)O	TBB	tert-butylcarbamic acid
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H](CC4)O	TBC	(9s,10r)-9-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene
+[BH3-][P@@+](O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)OP(=O)(O)O	TBD	2*-deoxy-thymidine-5*-alpha borano diphosphate (isomer rp)
+C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C/C=O)S(=O)=O	TBE	tazobactam intermediate
+CC(C)(C)OC=O	TBF	tert-butyl formate
+CC(C)(C)[C@@H](C(=O)O)N	TBG	3-methyl-l-valine
+CCCCCN[C@@H]([C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)N[C@H]([C@H](Cc2ccccc2)N[C@@H](O)OC(C)(C)C)O)O	TBH	5-(2-{2-[(tert-butoxy-hydroxy-methyl)-amino]-1-hydroxy-3-phenyl-propylamino}-3-hydroxy-3-pentylamino-propyl)-2-carboxymethoxy-benzoic acid
+C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C\C=O)S(=O)=O	TBI	tazobactam trans-enamine intermediate
+C1CCC(C1)NC(=O)NC[C@H]2CCCO2	TBJ	n-cyclopentyl-n'-{[(2r)-oxolan-2-yl]methyl}urea
+CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnc5n4cccc5	TBK	~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{s})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
+C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)OC	TBL	n-[(4-methoxyphenyl)sulfonyl]-d-alanine
+C\C=C\C[C@@H](C)[C@H]([C@@H](C(=O)O)N(C)C)O	TBM	4-methyl-4-[(e)-2-butenyl]-4,n-dimethyl-threonine
+c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	TBN	'2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+C[C@H]1CN2c3c(ccc(c3C[N@]1CC=C(C)C)Cl)NC2=S	TBO	5-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione
+c1c(cc(c(c1Br)O)Br)Br	TBP	2,4,6-tribromophenol
+CC(C)(C)[C@](CCc1ccc(cc1)Cl)(Cn2cncn2)O	TBQ	(3~{r})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
+Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)[Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1)(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6	TBR	hexatantalum dodecabromide
+c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2	TBS	4,5,6,7-tetrabromobenzotriazole
+c1ccc2c(c1)ccc3c2cc4c(c3)[C@@H]([C@H]([C@H](C4)O)O)O	TBT	8,9,10,11-tetrahydro-benzo[a]anthracene-8,9,10-triol
+CC(C)(C)O	TBU	tertiary-butyl alcohol
+Cc1c(c([nH]c1Cc2c(c(c([nH]2)OC(C)(C)C)C)C=C)Cc3c(c(c([nH]3)\C=C/4\C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O	TBV	3-[2-[[3-(2-carboxyethyl)-5-[[3-ethenyl-4-methyl-5-[(2-methylpropan-2-yl)oxy]-1h-pyrrol-2-yl]methyl]-4-methyl-1h-pyrrol -2-yl]methyl]-5-[(z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid
+CC(C)(C)[C@@](CCc1ccc(cc1)Cl)(Cn2cncn2)O	TBX	(3~{s})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
+CCCC[Sn](CCCC)CCCC	TBY	tributylstannanyl
+COc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)c6[nH]c7cc(ccc7n6)[N@]8CC[C@@H](C8)[NH3+]	TBZ	2''-(4-methoxyphenyl)-5-(3-amino-1-pyrrolidinyl)-2,5',2',5''-tri-benzimidazole
+C1[C@@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)OP(=O)(=O)O	TC	4-azanyl-1-[(2~{r},3~{r},4~{s})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]pyrimidin-2-one
+c1cc(ccc1CNC2CC2)Nc3cc([nH]n3)c4ccc(cc4)c5ccc(cc5O)O	TC0	4'-[5-[[3-[(cyclopropylamino)methyl]phenyl]amino]-1h-pyrazol-3-yl]-[1,1'-biphenyl]-2,4-diol
+c1ccc2c(c1)NC3=NC(=O)N(C=C3S2)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	TC1	3-(5-phospho-2-deoxy-beta-d-ribofuranosyl)-2-oxo-1,3-diaza-phenothiazine
+c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(=O)C3=CC=CC(=O)N3O	TC2	n-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide
+CCO[P@@](=O)(NC)O	TC3	ethyl hydrogen methylamidophosphate
+CCCCNC(=O)OC[C@H](CO[P@H](=O)CCCC)OC(=O)NCCCC	TC4	butyl-phosphinic acid 2,3-bis-butylcarbamoyloxy-propyl ester group
+CCCN[P@](=O)(O)OCC	TC5	ethyl hydrogen propylamidophosphate
+CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O	TC6	(2e)-hexenoyl-coa
+c1c(c(cc(c1Cl)Cl)Cl)O	TC7	2,4,5-trichlorophenol
+CSC1=Nc2ccccc2C(=O)N1c3c(cccc3F)F	TC8	3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3h)-one
+C[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)O)(C)C)OC	TC9	d-tubocurarine
+c1ccc(cc1)\C=C\C(=O)O	TCA	phenylethylenecarboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O	TCB	thiocellobiose
+c1ccc(c(c1)Nc2ccc(cc2Cl)Cl)O	TCC	2-(2,4-dichloro-phenylamino)-phenol
+c1cc(ccc1Oc2c(cc(cn2)Cl)Cl)Oc3c(cc(cn3)Cl)Cl	TCD	3,5-dichloro-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}pyridine
+C(CP(CCC(=O)O)CCC(=O)O)C(=O)O	TCE	3,3',3''-phosphanetriyltripropanoic acid
+c1cc(ccc1CCC(=O)N)Br	TCF	3-(4-bromophenyl)propanamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)[N+](C)(C)C)O)NC(=O)C)O)NC(=O)C)O	TCG	2-deoxy-2-(trimethylammonio)-beta-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1->4)-2-(acety  lamino)-2-deoxy-beta-d-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose
+C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	TCH	taurocholic acid
+CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O	TCI	(6ar,10ar)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6h-benzo[c]chromen-1-ol
+CC1=CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)OP(=O)(O)O)O	TCJ	[(1~{s},2~{r},4~{r},6~{s},8~{r})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate
+Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl	TCK	n-[(1s)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide
+c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl	TCL	triclosan
+CC1([C@@H]2CC[C@]1(C(=S)C2)C)C	TCM	thiocamphor
+C(#N)[Ni-2](C#N)(C#N)C#N	TCN	tetracyanonickelate ion
+CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1	TCO	tert-butyl(1s)-1-cyclohexyl-2-oxoethylcarbamate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC)O	TCP	5'-methylthymidine
+c1ccc(cc1)[C@H]2C[C@@H]2/[NH+]=C/3\C=C(C(=O)C=C3O)C[C@@H](C(=O)O)N	TCQ	(1s,2r)-n-{(1e)-5-[(2s)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium
+c1ccc2c(c1)c3c([nH]2)CN[C@@H](C3)C(=O)O	TCR	cyclomethyltryptophan
+c1cc(cc2c1cc(cc2)Oc3ccc(cc3O)Cl)O	TCT	6-(4-chloro-2-hydroxy-phenoxy)-naphthalen-2-ol
+CCCCCCc1ccc(c(c1)O)Oc2ccccc2C	TCU	5-hexyl-2-(2-methylphenoxy)phenol
+C(=C(Cl)Cl)Cl	TCV	1,1,2-trichloroethene
+Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-]	TCW	tolcapone
+CCNP(=O)(O)O	TCX	ethylphosphoramidic acid
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3)OP(=O)(O)O)O)N	TCY	(2r,3as,4ar,5ar,5bs)-2-(6-amino-9h-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4h)-yl dihydrogen phosphate
+c1c(cc(cc1Cl)Cl)Cl	TCZ	1,3,5-trichloro-benzene
+c1cc(c(c(c1)O)O)C(=O)N[C@@H](COC(=O)[C@H](CO)N)C(=O)O	TD1	o-[(2s)-2-amino-3-hydroxypropanoyl]-n-(2,3-dihydroxybenzoyl)-l-serine
+c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)CO)O	TD2	3-deoxy-3-[4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl]-beta-d-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl]-1-thio-beta-d-galactopyranoside
+C(CCO)CN(C(=O)COP(=O)(O)O)O	TD3	2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate
+C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O	TD4	4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TD5	(4~{r})-4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TD6	(4s)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid
+Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)OP(=O)(O)O)C	TD7	(4e)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-2(3h)-ylidene}-4-hydroxybutanoic acid
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TD8	(5r)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TD9	(5s)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate
+CCCCCCCCCCCCC(=O)O	TDA	n-tridecanoic acid
+B1(c2cc(sc2C=NN1S(=O)(=O)CCC)C)O	TDB	6-methyl-2(propane-1-sulfonyl)-2h-thieno[3,2-d][1,2,3]diazaborinin-1-ol
+Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O	TDC	5a,6-anhydrotetracycline
+CC(C)(C)[C@H](C(=O)O)N	TDD	(2r)-2-amino-3,3-dimethyl-butanoic acid
+CC(C)(C)\C=C\[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1CC[C@H](CNC1=O)O)OC)O)O)O	TDE	(e)-(2r,3r,4s,5r)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-non-6-enoic acid ((3s,6r)-6-hydroxy-2-oxo-azepan-3-yl)-amide
+c1cc(ccc1C[C@H](C(=O)O)N)C(F)(F)F	TDF	4-(trifluoromethyl)-d-phenylalanine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O	TDG	thiodigalactoside
+c1cc(ccc1c2cnnn2c3ccc(cc3)O)O	TDH	4,4'-(1h-1,2,3-triazole-1,5-diyl)diphenol
+CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N	TDI	(3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
+C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12	TDJ	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2h-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O	TDK	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1s)-1-hydroxy-1-[(r)-hydroxy(methoxy)phosphoryl]ethyl}-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	TDL	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-carboxy-1-hydroxyethyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
+Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\C)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C	TDM	2-[(2e)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate
+CC/C(=C\1/N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)/O	TDN	2-[(2e)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
+C[C@H]1C(=O)[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O	TDO	dtdp-4-keto-l-rhamnose
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-]	TDP	thiamin diphosphate
+CC1=CNC(=O)NC1=O	TDR	thymine
+CCCCCCCCCCCCCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C	TDS	8-hydroxy-5,7-dimethoxy-3-methyl-2-tridecyl-4h-chromen-4-one
+c1ccc(cc1)[C@@H](C(=O)N2CCCCCC2)N3C=Nc4c(cn(n4)[C@H]5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)([O-])OP(=O)([O-])OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)[O-])[O-])O)O)C3=S	TDT	1-azepan-1-yl-2-phenyl-2-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone adduct
+c1cc2c(cc1NC(=O)NCCC3=CCCCC3)snn2	TDU	1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea
+c1ccc(cc1)CCCC(=O)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)c5ccc(cc5)F	TDV	1-[(2s,4s)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](C)O)CCOP(=O)(O)OP(=O)(O)O	TDW	2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[(1s)-1-oxidanylethyl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O	TDX	thymidine-5'-diphospho-beta-d-xylose
+C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)NC	TDY	5-(methylamino)thymidine 5'-(dihydrogen phosphate)
+Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@@H]4C(=O)NC(=O)S4)C	TDZ	(5r)-5-(4-{[(2r)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2h-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione
+[TeH2]	TE	tellurium
+CC(C)C[C@@H](c1cc(c(cc1OC)O)/C=C\C(=O)O)O	TE1	(2z)-3-{2-hydroxy-5-[(1s)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid
+CC\1(c2ccccc2N(/C1=C\CC3=C(/C(=C\C=C\4/C(c5ccccc5N4C)(C)C)/CCC3)NCCCCCCNC(=O)CCc6ccc(cc6)S(=O)(=O)N)C)C	TE2	3-(4-sulfamoylphenyl)-n-[6-({(6z)-2-[(2z)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethyl]-6-[(2e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide
+CCCCNc1ccc(cc1)C(=O)OCCN(C)C	TE4	tetracaine
+COc1cc(nc(n1)N)c2ccccc2	TE5	4-methoxy-6-phenyl-pyrimidin-2-amine
+O[Te](O)(O)(O)(O)O	TE6	orthotelluric acid
+CN(C)CCNc1ccc2c3c1C(=O)c4cc(ccc4-n3cn2)OC	TE7	5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6h-imidazo[4,5,1-de]acridin-6-one
+C[C@H](C(=O)O)Oc1ccc(cc1)c2ccccc2	TE8	(2~{r})-2-(4-phenylphenoxy)propanoic acid
+CC[NH+](CC)CC	TEA	triethylammonium ion
+C[C@@H]1[C@@H](NC(=C1SC2CN(C2)C3=NCCS3)C(=O)O)[C@H](C=O)[C@@H](C)O	TEB	(4r,5s)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2s,3r)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1h-pyrrole-2-carboxylic acid
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O	TEC	2-amino-6-o-decanoyl-2-deoxy-beta-d-glucopyranose
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C(=O)NCCNC(=O)C[N@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)COP(=O)(O)O)O	TED	5-[(1e)-14-carboxy-10,13-bis(carboxymethyl)-3,8-dioxo-4,7,10,13-tetraazatetradec-1-en-1-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate)
+C(=CS)N	TEE	2-amino-ethenethiol
+c1cc(ccc1C[C@@H](C(=O)O)N)n2ncnn2	TEF	4-(2h-tetrazol-2-yl)-l-phenylalanine
+C(COCCOCC(=O)O)O	TEG	[2-(2-hydroxyethoxy)ethoxy]acetic acid
+c1ccc(cc1)OCC(=O)N2CCNC(=O)C2	TEH	4-(2-phenoxyethanoyl)piperazin-2-one
+Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)O	TEI	2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-5-thiazole-carboxylic acid
+C[C@@H](C[C@H]1CC(=C)C(=O)O1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C	TEJ	(1s,3r,5z,7e,20s,23s)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one
+CCn1c2ccccc2nc1NC(=O)C	TEK	~{n}-(1-ethylbenzimidazol-2-yl)ethanamide
+CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nc4)c5cccnc5)C	TEL	telithromycin
+C(C=O)C(CN\C=C\C=O)O	TEM	n-(2-hydroxy-4-oxo-butyl)-n-(3-oxo-transpropenyl)amine
+CCOP(=O)(OCC)OCC	TEN	triethyl phosphate
+C(=C(\O)/[O-])\[C@H](C(=O)[O-])O	TEO	malate like intermediate
+CN1c2c([nH]cn2)C(=O)N(C1=O)C	TEP	theophylline
+Cc1c(cccn1)[C@H]2C[C@H](Nc3n2ncc3F)c4cccc5c4ccc(n5)N	TEQ	5-[(5s,7r)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
+C(CCNCCCNCCCN)CN	TER	n-(3-amino-propyl)-n-(5-aminopropyl)-1,4-diaminobutane
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C	TES	testosterone
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O[C@](CF)(C(=O)O)OP(=O)(O)O	TET	uridine-diphosphate-2(n-acetylglucosaminyl-3-fluoro-2-phosphonooxy)propionic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O	TEU	1-o-alpha-d-glucopyranosyl-d-fructose
+CC1=NC(=O)N=C(C1)C(=O)O	TEV	6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid
+[O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O]	TEW	6-tungstotellurate(vi)
+CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3[C@](C)(CCC=C(C)C)C=C)N1C)CO	TEX	(2s,5s)-9-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCn4ncnn4)O)C	TEY	(1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]cyclohexane-1,3-diol
+CC(=O)Nc1ccc2c(c1)nsn2	TEZ	n-(2,1,3-benzothiadiazol-5-yl)acetamide
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O	TF0	2-(acetylamino)-2-deoxy-3-o-beta-d-galactopyranosyl-alpha-d-galactopyranose
+C[C@H]1CN([C@@H](CN1C(=O)[C@](C)(C(F)(F)F)O)C)C(=O)c2ccc(cc2)C#N	TF1	4-({(2r,5s)-2,5-dimethyl-4-[(2r)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrile
+CC[N@@](c1ccccc1)S(=O)(=O)c2ccc(c(c2)C)NC(=O)[C@](C)(C(F)(F)F)O	TF2	(n-{4-[(ethylanilino)sulfonyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
+CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN	TF3	n-(2-aminoethyl)-2-{3-chloro-4-[(4-isopropylbenzyl)oxy]phenyl} acetamide
+C(C(=O)O)(Cl)Cl	TF4	dichloro-acetic acid
+c1ccc(c(c1)c2ccc(c(c2F)F)F)OCCO	TF5	2-[(2',3',4'-trifluorobiphenyl-2-yl)oxy]ethanol
+c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)O	TF6	4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
+C[C@](Cn1ccnn1)([C@H](C(=O)O)N)S(O)O	TF7	(3s)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1h-1,2,3-triazol-1-yl)-d-valine
+C[C@@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O	TF8	(2r,3s,4s,5s)-2,3,4,5-tetrahydroxyhexanoic acid
+C(=O)(C(F)(F)F)O	TFA	trifluoroacetic acid
+C1C[C@H](OC1)C(=O)O	TFB	tetrahydrofuran-2-carboxylic acid
+CCCCCCCCSCC(=O)C(F)(F)F	TFC	1,1,1-trifluoro-3-(octylthio)acetone
+Cc1c(c(nc(n1)c2ccccn2)NCCNc3cccc(n3)C(F)(F)F)Cl	TFD	n-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-n'-[6-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(F)(F)F	TFE	2'-o-[2-(trifluoro)ethyl] thymidine-5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(C(F)(F)[P@@](=O)(C(F)(F)P(=O)(O)O)O)O)O	TFF	5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine
+c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(C(F)(F)F)(O)O	TFG	2,2,2-trifluoro-1-{5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)carbonyl]thiophen-2-yl}ethane-1,1-diol
+N#N	TFH	nitrogen of trifluoro-ethylhydrazine
+CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(=NC=C(C1=O)NS(=O)(=O)C)c2ccc(cc2)N	TFI	2-[5-methanesulfonylamino-2-(4-aminophenyl)-6-oxo-1,6-dihydro-1-pyrimidinyl]-n-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)acetamide
+CCN(/C=C/[C@@H](C)[C@H]([C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@@H](C(C)C)OC(=O)CCCN)OC)OC(=O)[C@H]1CCCO1)OC)C=O	TFJ	(1e,3r,4r,5s,6r,9s,10s,12s)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2r)-oxolane-2-carboxylate
+CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NS(=O)(=O)NC)c2ccccc2	TFK	3-[[(methylamino)sulfonyl]amino]-2-oxo-6-phenyl-n-[3,3,3-trifluoro-1-(1-methylethyl)-2-oxophenyl]-1(2h)-pyridine acetamide
+C[n+]1c2ccc(cc2sc1c3ccc(cc3)N(C)C)O	TFL	2-[4-(dimethylamino)phenyl]-6-hydroxy-3-methyl-1,3-benzothiazol-3-ium
+CCSC(=Nc1ccc(cc1)C(F)(F)F)N	TFM	s-ethyl-n-[4-(trifluoromethyl)phenyl]isothiourea
+[H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](COC(C)(C)C)NS(=O)(=O)Cc2ccccc2)\N	TFN	n-(benzylsulfonyl)-o-tert-butyl-d-seryl-n-(4-carbamimidoylbenzyl)glycinamide
+C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O	TFO	[2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methylphosphonic acid
+CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F	TFP	10-[3-(4-methyl-piperazin-1-yl)-propyl]-2-trifluoromethyl-10h-phenothiazine
+c1cc(ccc1C[C@@H](C(=O)O)N)CC(F)(F)F	TFQ	4-(2,2,2-trifluoroethyl)-l-phenylalanine
+C[C@H]([C@@H](C(F)(F)F)O)NC(=O)CCCC[C@H](C(=O)O)N	TFR	(2r)-2-amino-7-oxo-7-{[(2r,3s)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid
+C(F)(F)(F)S(=O)(=O)O	TFS	trifluoromethanesulfonic acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](CO2)OP(=O)(O)O)O	TFT	(l)-alpha-threofuranosyl-thymine-3'-monophosphate
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)O)O)O	TFU	methyl 1-seleno-beta-l-fucopyranoside
+Cc1c(c(nc(n1)c2ccccn2)NCCNc3ccc(cn3)C(F)(F)F)Cl	TFV	n-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-n'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
+Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C	TFX	2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCn4cnnn4)O)C	TFY	(1r,2s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(2r)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol
+c1ccc(cc1)NC(=O)c2ccccc2C(F)(F)F	TFZ	n-phenyl-2-(trifluoromethyl)benzamide
+c1nc2c(n1[C@H]3[C@@H]([C@H](CO3)OP(=O)(=O)O)O)N=C(NC2=O)N	TG	2-azanyl-9-[(2~{r},3~{r},4~{s})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{h}-purin-6-one
+Cc1c(cccc1N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4c(ncs4)C)O	TG0	(2s,4r)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-n-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
+CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O	TG1	octanoic acid [3s-[3alpha, 3abeta, 4alpha, 6beta, 6abeta, 7beta, 8alpha(z), 9balpha]]-6-(acetyloxy)-2,3,-3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)ox y]-2-oxo-4-(1-oxobutoxy)-azuleno[4,5-b]furan-7-yl ester
+c1ccc(cc1)c2ccc(cc2)C(=O)OC3CC(NC3)C(=O)O	TG2	4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCc2ccccc2	TG3	ethyl (4r)-4-[[(2s)-4-methyl-2-[[(2s,3r)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
+CCCCNCC(=O)NCCc1ccc(cc1)S(=O)(=O)N	TG4	2-(butylamino)-~{n}-[2-(4-sulfamoylphenyl)ethyl]ethanamide
+CCCCNCC(=O)Nc1ccc(cc1)S(=O)(=O)N	TG5	2-(butylamino)-~{n}-(4-sulfamoylphenyl)ethanamide
+C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O	TG6	6-o-phosphono-d-tagatose
+c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O	TG7	4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)O	TG8	[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
+C(CS)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	TGA	2-sulfanylethyl beta-d-galactopyranoside
+CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)S	TGB	[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CSCC(=O)O)O	TGC	3-thiaglutaryl-coa
+CC(=O)[C@H]([C@H]([C@@H](CO)O)O)O	TGD	1-deoxy-d-tagatose
+CCCOCCN1c2cc(ncc2N=C(C1=O)NCCN3CCOCC3)c4ccc(nc4)OC	TGE	7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1h)-one
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2C=O)C(=O)NC(=N3)N	TGF	2-[4-(4-{4-[(2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-4-carboxy-butyrylam ino)-4-carboxy-butyrylamino]-pentanedioic acid
+C(CC(=O)N[C@@H](CS[C@H](CC(=O)O)C(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N	TGG	gamma-glutamyl-s-(1,2-dicarboxyethyl)cysteinylglycine
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N[C@H](C(=O)O)O	TGH	6-{[(s)-carboxy(hydroxy)methyl]amino}-7-hydroxy-l-tryptophan
+CC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O	TGJ	1-deoxy-l-tagatose
+C[C@]1([C@@H]([C@@H]([C@H](CO1)O)O)O)O	TGK	1-deoxy-beta-l-tagatopyranose
+CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	TGL	tristearoylglycerol
+c1ccc(c(c1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O	TGM	4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
+C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O[P@](=O)(c3ccccc3)O)C(=O)OC	TGN	3-(hydroxy-phenyl-phosphinoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CSP(=O)(O)O)O)N=C(NC2=O)N	TGP	5'-thio-2'-deoxy-guanosine phosphonic acid
+CN(C[C@H]1CNC2=C(N1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	TGQ	(2~{s})-2-[[4-[[(6~{r})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{h}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
+C[C@@H]([C@]1([C@H]([C@@H](CO1)O)O)O)O	TGR	1-deoxy-alpha-d-xylo-hex-3-ulofuranose
+C[C@@H](C(=O)[C@H]([C@@H](CO)O)O)O	TGS	1-deoxy-d-xylo-hex-3-ulose
+CC(=O)O[C@@H]1[C@@H]([C@H]([C@]2(CS[C@]([C@@H]1O2)(C(=O)N)O)C(=O)O)OP(=O)(O)O)N	TGT	tagetitoxin
+[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O)O)O	TGU	trigalacturonic acid
+c1ccc(cc1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O	TGV	4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid
+CN1c2c(cccn2)C(=O)N[C@H]1c3ccc(cc3Cl)Cl	TGW	(2r)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
+Cc1ccc2c(c1)SCC(=O)N2	TGX	7-methyl-2h-1,4-benzothiazin-3(4h)-one
+C[C@]1([C@H]([C@H]([C@@H](CO1)O)O)O)O	TGY	1-deoxy-alpha-d-tagatopyranose
+c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CO)O	TGZ	(2~{s},3~{r},4~{s},5~{r},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
+[Th+4]	TH	thorium ion
+c1cc(c(cc1O)O)S	TH0	4-mercaptobenzene-1,3-diol
+Cc1ccc2c(c1)nc(s2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	TH1	(1r)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-d-glucitol
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@]34C	TH2	testosterone hemisuccinate
+CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	TH3	trans delta2 palmitenoyl-coenzymea
+c1cc(ncc1CN\2CCS/C2=N\C#N)Cl	TH4	{(2z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
+C[C@H]([C@@H](C(=O)O)N)OC(=O)C	TH5	o-acetyl-l-threonine
+C([C@H]([C@@H](C(=O)O)N)O)O	TH6	4-hydroxy-l-threonine
+c1cc(c(cc1O)O)SO	TH7	2,4-dihydroxybenzenesulfenic acid
+CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O	TH8	thiamphenicol
+CCCCCCOc1cccc(c1)CCCNC(=O)/C=C(/C(=O)O)\O	TH9	(2z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid
+c1ccc2c(c1)c(c3c(n2)CCCC3)N	THA	tacrine
+C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O	THB	tetrahydrobiopterin
+C[C@H]([C@@H](C(=O)O)NC(=O)C)O	THC	n-methylcarbonylthreonine
+Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\CO)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C	THD	2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1,2-dihydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl trihydrogen diphosphate
+C([C@H]([C@@H](C(=O)[O-])O)O)O	THE	threonate ion
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2C=NC3=C([N@@]2CO)C(=O)N=C(N3)N	THF	5-hydroxymethylene-6-hydrofolic acid
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N	THG	(6s)-5,6,7,8-tetrahydrofolate
+CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O	THH	n-[4-({[(6s)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+c1ccc(cc1)[C@]23c4ccccc4C(=O)N2CCS3	THI	thiazolo-3-phenylisoindol-1-one
+[O-]S(=O)(=O)[S-]	THJ	thiosulfate
+c1cc(ccc1C2(SCCS2)CCCN3CCC(CC3)(c4ccc(cc4)Cl)O)F	THK	4-(4-chloro-phenyl)-1-{3-[2-(4-fluoro-phenyl)-[1,3]dithiolan-2-yl]-propyl}-piperidin-4-ol
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)N=C(N3)N	THL	n-[4-({[(6s)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O	THM	thymidine
+C=C1CSC(=NC1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2cccs2	THN	2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methylene-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
+C[C@H]([C@@H](CO)N)O	THO	reduced threonine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O	THP	thymidine-3',5'-diphosphate
+Cc1c(scn1)CCOP(=O)(O)O	THQ	phosphoric acid mono-[2-(4-methyl-thiazol-5-yl)-ethyl] ester
+C[C@H]([C@@H](C(=O)O)N)O	THR	threonine
+C[C@H]([C@@H](C(=O)[O-])[NH-])O	THR_LEO2	l-threonine c-terminal deprotonated fragment
+C[C@H]([C@@H](C(=O)O)[NH-])O	THR_LEO2H	l-threonine c-terminal protonated fragment
+C[C@H]([C@@H](C(=O)O)[NH-])[O-]	THR_LEO2H_DHG1	l-threonine-c-terminal protonated fragment/with side chain deprotonated og1
+C[C@H]([C@@H](C(=O)[O-])[NH-])[O-]	THR_LEO2_DHG1	l-threonine-c-terminal deprotonated fragment/with side chain deprotonated og1
+C[C@H]([C@@H](C(=O)O)N)O	THR_LFOH	l-threonine free neutral
+C[C@H]([C@@H](C(=O)O)N)[O-]	THR_LFOH_DHG1	l-threonine-free neutral/with side chain deprotonated og1
+C[C@H]([C@@H](C(=O)[O-])[NH3+])O	THR_LFZW	l-threonine free zwitterion
+C[C@H]([C@@H](C(=O)[O-])[NH3+])[O-]	THR_LFZW_DHG1	l-threonine-free zwitterion/with side chain deprotonated og1
+C[C@H]([C@@H]([C-]=O)[NH-])O	THR_LL	l-threonine - linking embedded fragment
+C[C@H]([C@@H]([C-]=O)[NH-])[O-]	THR_LL_DHG1	l-threonine-linking embedded fragment/with side chain deprotonated og1
+C[C@H]([C@@H]([C-]=O)[NH3+])O	THR_LSN3	l-threonine n-terminal protonated fragment
+C[C@H]([C@@H]([C-]=O)[NH3+])[O-]	THR_LSN3_DHG1	l-threonine-n-terminal protonated fragment/with side chain deprotonated og1
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(S)S)O	THS	thymidine-5'-(dithio)phosphate
+CCCCCCCCCCCCCCCC(=O)SCCNC(=O)C	THT	trans-2-hexadecenoyl-(n-acetyl-cysteamine)-thioester
+C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O	THU	tetrahydrodeoxyuridine
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](C(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O	THV	c2-1-hydroxy-3-methyl-propyl-thiamin diphosphate
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](c3ccccc3)O)CCO[P@](=O)(O)OP(=O)(O)O	THW	c2-1-hydroxyphenyl-thiamin diphosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)OCCCCCCNC(=O)c3cc4c([nH]3)ccc5c4CCN5C(=O)c6cc7c([nH]6)ccc8c7CCN8C(=O)c9cc1c([nH]9)ccc2c1CCN2C(=O)N)O	THX	phosphonic acid 6-({6-[6-(6-carbamoyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonyl)-3,6,7,8-tetrahydro-3,6-diaza-as-indocene-2-ca rbonyl]-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonl}-amino)-hexyl ester 5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester
+CC[C@H](C)[C-](c1[n+](c(c(s1)CCO[P@](=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O	THY	c2-1-hydroxy-2-methyl-butyl-thiamin diphosphate
+[H]/N=C(/N)\NCCC[C@@H](C(=O)c1nc2ccccc2s1)N	THZ	1-[(4s)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine
+CCCCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)S	TI1	[2(r,s)-2-sulfanylheptanoyl]-phe-ala
+c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@H](Cc3ccccc3)S	TI2	(2-sulfanyl-3-phenylpropanoyl)-phe-tyr
+c1ccc(cc1)C[C@@H](C(=O)NCC(=O)N2[C@H](CC[C@H]2C(=O)O)c3ccccc3)S	TI3	[(2s)-2-sulfanyl-3-phenylpropanoyl]-gly-(5-phenylproline)
+c1cc(cnc1)[C@H]2C3C[C@H]4C[C@@H](C3)CN2C4	TI4	(2r,3s,5r,7s)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane
+Cc1ccccc1c2cccc(c2)C(=O)O	TI7	3-(2-methylphenyl)benzoic acid
+C=CC(=O)OCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCc4ccc(cc4)Cl)O)O	TI8	3-[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate
+c1cc(cnc1)C#C[C@@H]2CCCN2	TI9	3-[(2s)-pyrrolidin-2-ylethynyl]pyridine
+C[C@@H]1[C@H]([C@H]([C@@H](O1)c2nc(cs2)C(=O)N)O)O	TIA	2-(1,5-dideoxyribose)-4-amido-thiazole
+C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)C[N@]1CC=C(C)C	TIB	4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione
+c1ccc(c(c1)C[N@]2CCc3c(ccs3)C2)Cl	TIC	ticlopidine
+c1cc(ccc1c2nnc(s2)N)C(=O)O	TID	4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid
+[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NS(=O)(=O)Cc3ccccc3)\N	TIF	n-(benzylsulfonyl)-d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NCCN	TIG	n-(2-aminoethyl)-l-tryptophan
+c1cc(sc1)C[C@@H](C(=O)O)N	TIH	beta(2-thienyl)alanine
+CC(C)Oc1cc(cnc1)N2CC[C@@]3(C2)CCCN3C	TII	(5r)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane
+c1ccc2c(c1)C=[N]3c4ccc(cc4O[Cr+]3O2)CCC(=O)O	TIL	[2-[5-carboxyethyl-2-phenolato(nitrilomethylidyne)][phenolato]]chromium(iii)
+CC(C)(C)NC[C@@H](COc1c(nsn1)N2CCOCC2)O	TIM	(2s)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
+CCCC[N@@](CCC1CCCCC1)Cc2ccc(c(c2)c3ccccc3C)C(=O)N[C@@H](CCSC)C(=O)O	TIN	2-{(5-{[butyl-(2-cyclohexyl-ethyl)-amino]-methyl}-2'-methyl-biphenyl-2-carbonyl)-amino]-4-methylsulfanyl-butyric acid
+c1ccc(cc1)C[C@H](CS)C(=O)NCC(=O)O	TIO	(2-mercaptomethyl-3-phenyl-propionyl)-glycine
+CCCSc1nc(c2c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4c5ccc(c(c5)F)F	TIQ	ticagrelor
+C[C@H]1[C@H]2[C@H](C=C([C@](O2)(O[C@@H]1[C@H](C)\C=C(/C)\C=C\C(=C\3/C(=O)CNC3=O)\O)C)C)O	TIR	tirandamycin e
+CC(O)(O)OC[C@@H](C(=O)O)N	TIS	o-(1,1-dihydroxyethyl)-l-serine
+CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)C[C@@H]([C@H](COCc1ccc(cc1)Br)NC(=O)[C@H](C(C)C)NC(=O)c2ccccn2)O	TIT	n-((3s,4s)-5-[(4-bromobenzyl)oxy]-3-hydroxy-4-{[n-(pyridin-2-ylcarbonyl)-l-valyl]amino}pentanoyl)-l-alanyl-l-leucinamide
+C(=O)(N)NC(=O)NC(=O)N	TIU	tricarbonodiimidic diamide
+c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)c4cn5c6c4cccc6CCC5	TIV	(3r,4r)-3-(5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1h-indol-3-yl)pyrrolidine-2,5-dione
+c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O	TIY	2,3,4,6-tetrahydroxy-5h-benzo[7]annulen-5-one
+c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N	TIZ	(1r)-1-[4-(aminocarbonyl)-1,3-thiazol-2-yl]-1,4-anhydro-d-ribitol
+CC(C)C1=NOC(=O)N1	TJ1	3-(propan-2-yl)-1,2,4-oxadiazol-5(4h)-one
+CC(C)(C)NC(=O)[C@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)Cl)C=O	TJ2	3-{(1s)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1h-indole-2-carboxylic acid
+Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl)C	TJ3	5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one
+CC1=C(NC(=O)N=C1C)C(=O)O	TJ4	5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
+c1ccc(cc1)c2ccc(cc2)C(=O)O[C@H]3C[C@H](NC3)C(=O)O	TJ5	(2~{s},4~{s})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid
+CC1([C@@H](N[C@H](S1)[C@@](C=O)(NC(=O)[C@@H](c2ccsc2)C(=O)O)OC)C(=O)O)C	TJ7	(2r,4s)-2-[(1s)-1-{[(2r)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid
+c1ccc(cc1)c2nccn2c3ccc(c(c3)Br)C=O	TJ8	2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
+c1ccc(cc1)c2nccn2c3ccc(c(c3)Cl)C=O	TJB	2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde
+COC(=O)C1=NC(=O)Nc2c1cccc2	TJD	methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate
+C[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C)P(=O)(C[C@@H](CCc2ccccc2)C(=O)O)O	TJE	(2s)-2-{[(s)-{(1r)-1-[(n-acetyl-l-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
+Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)C(=O)N4CCOCC4)C#N	TJF	4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-2-{[3-(morpholin-4-ylcarbonyl)phenyl]amino}pyrimidine-5-carbonitrile
+CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(nc3nc2)C4CC4)O	TJG	7-cyclopropyl-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
+c1cc2c(c(c1)O)C(=O)C=C(C2=O)NCCNc3c4ccc(cc4nc5c3CCCC5)Cl	TJH	2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione
+C1=C(NC(=O)N=C1)C(=O)O	TJJ	2-oxo-2,3-dihydropyrimidine-4-carboxylic acid
+c1cc(c(cc1n2ccnc2c3cc(ccc3F)Br)Br)C=O	TJK	2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde
+Cc1cc(c(s1)C)c2cc(n[nH]2)C(=O)N	TJM	5-(2,5-dimethyl-3-thienyl)-1h-pyrazole-3-carboxamide
+COC(=O)C1=CC=NC(=O)N1	TJP	methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate
+C1CCC2=C(C1)C(=NC(=O)N2)C(=O)O	TJS	2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid
+c1cc2c(cc1C(=S)N)OCO2	TJV	1,3-benzodioxole-5-carbothioamide
+CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5	TJW	5-amino-n-(4-(((2s)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1h-pyrazole-4-carboxamide
+c1ccc2c(c1)C(=NC(=O)N2)C(=O)O	TJY	2-oxo-1,2-dihydroquinazoline-4-carboxylic acid
+CS(=O)(=O)N1CCC[C@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNc4c5cnn(c5ncn4)c6ccccc6	TJZ	~{n}-[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzamide
+CS(=O)(=O)c1ccc(cc1)Oc2cc3c(cc2CN4C(=O)CCC4=O)[nH]c(n3)c5ccccn5	TK1	1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1h-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione
+Cc1c(cccc1c2ccccc2)COc3ccc4nc(c(n4c3)NCCc5ccccc5)CN	TK2	2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{n}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
+C[C@H](CC#C[C@@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	TK3	(1r,3r,7e,17beta)-17-{(2r,6r)-6-hydroxy-7-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CC(=O)Nc1ccc2c(c1S(=O)(=O)O)cccc2S(=O)(=O)O	TK4	2-acetylamino-napthalene-1,5-disulfonic acid
+CS(=O)(=O)N1CCC[C@H](C1)NC(=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5	TK5	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	TK7	diethyl [(4-{(2s,3r)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+C([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O	TK8	d-xylonic acid
+CC[C@H](Cc1ccc(cc1)C(=O)NCc2ccc(cc2C(F)(F)F)OC)C(=O)O	TK9	(2~{r})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
+C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	TKA	(1r,3r,7e,17beta)-17-{(2r,6s)-6-hydroxy-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+Cn1c(c(cn1)C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC3CCCCC3)C(=O)N[C@@H]4CCCN(C4)S(=O)(=O)C)N	TKB	5-azanyl-~{n}-[[4-[[(2~{s})-4-cyclohexyl-1-[[(3~{r})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide
+C[C@H](CC#C[C@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	TKD	(1r,3r,7e,17beta)-17-{(2r,6s)-6-hydroxy-7-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+c1cc(ccc1CCNC(=S)Nc2ccc(cc2)I)S(=O)(=O)N	TKE	1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
+CC(=O)c1cnc2c(n1)C(=O)NC(=N2)NC(=O)C	TKG	1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone
+c1cc(c(cc1n2ccnc2c3ccc(cc3F)F)Br)C=O	TKH	[4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol
+c1ccc(cc1)COc2ccc(cc2)[C@@]3(CCN(C3)C(=O)C4CCS(=O)(=O)CC4)S(=O)(=O)c5ccc(cc5)F	TKJ	4-{(3r)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione
+c1ccc(c(c1)c2nccn2c3ccc(c(c3)Br)C=O)Br	TKK	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
+CC(C)C[C@@H](C(=O)O)n1cc(nn1)[C@H](CCCCN)N	TKL	(2s)-2-{4-[(1s)-1,5-diaminopentyl]-1h-1,2,3-triazol-1-yl}-4-methylpentanoic acid
+COc1cccc(c1C(=O)OC)CCCCC/C=C/CNc2c3ccccc3nc4c2CCCC4	TKN	methyl 2-methoxy-6-[(~{e})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate
+CC(C)(COC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)c3cccc(c3)Cl	TKP	2-(3-chlorophenyl)-2-methylpropyl [(2s)-3-cyclohexyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+c1cc(ccc1CCNC(=O)Nc2ccc(cc2)I)S(=O)(=O)N	TKQ	1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
+CC(C)(COC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S)c3cccc(c3)Cl	TKS	2-(3-chlorophenyl)-2-methylpropyl [(2s)-3-cyclohexyl-1-({(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccc4	TKT	(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1h-indole-3-carboxylate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S)NC(=O)OCC(C)(C)c2cccc(c2)Cl	TKV	n~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-n-{(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-l-leucinamide
+C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)O	TKW	5-hydroxycytidine 5'-(dihydrogen phosphate)
+C[C@@H](C(=O)N[C@H](C(=O)N1Cc2cc(ccc2C[C@H]1C(=O)N[C@@H]3CCCc4c3cccc4)OCCOCCOCCOCCOCCOC(=O)N5CCC[C@H](C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(cc8F)F)C(=O)N)N)C(C)(C)C)NC	TKY	14-{[(3s)-2-(n-methyl-l-alanyl-3-methyl-l-valyl)-3-{[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3r)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazol-1-yl}piperidine-1-carboxylate
+COC(=O)CCN1CCCc2c1ccc(c2)c3ccc(s3)/C=C(\C#N)/C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O	TKZ	(((s)-1-carboxy-5-((e)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-l-glutamic acid
+[Tl+]	TL	thallium (i) ion
+c1cc(cc(c1)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3Oc4cccc(c4)C(=N)N)C(=N)N	TL1	2,5-bis-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol
+[H]/N=C(\c1ccc(cc1)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4cccc(c4)C(=N)N)/N	TL2	2-o-{4-[amino(imino)methyl]phenyl}-5-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol
+c1cc(ccc1C(=N)N)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N	TL3	2,5-bis-o-{4-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol
+c1cc(cc(c1)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N)C(=N)N	TL4	2-o-{3-[amino(imino)methyl]phenyl}-5-o-{4-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol
+C\C=C\C(=C\[C@@]1(C(=C(C(=O)S1)C)O)C)\C	TL5	(5r)-4-hydroxy-3,5-dimethyl-5-[(1e,3e)-2-methylpenta-1,3-dienyl]thiophen-2(5h)-one
+CC1=C([C@@](SC1=O)(C)\C=C\C=C)O	TL6	(5r)-5-[(1e)-buta-1,3-dienyl]-4-hydroxy-3,5-dimethylthiophen-2(5h)-one
+C[C@@H](C(=O)N[C@H](C(=O)N1Cc2cc(ccc2C[C@H]1C(=O)N[C@@H]3CCCc4c3cccc4)OCc5cnc(cn5)COC(=O)N6CCC[C@H](C6)n7c(c(c(n7)c8ccc(cc8)Oc9ccc(cc9F)F)C(=O)N)N)C(C)(C)C)NC	TL7	[5-({[(3s)-2-(n-methyl-l-alanyl-3-methyl-l-valyl)-3-{[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3r)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1h-pyrazol-1-yl}piperidine-1-carboxylate
+COc1cc(ccc1C=O)n2ccnc2c3ccccc3	TL8	2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde
+[C@@H]([C@H](C(=O)O)O)(C(=O)O)O	TLA	l(+)-tartaric acid
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@@](CO3)([C@H](O2)COP(=O)(O)O)O	TLB	2'-o,3'-c-methylene-arabinofuranosyl-thymine-5'-monophosphate
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@@](CCO3)([C@H](O2)COP(=O)(O)O)O	TLC	2-o,3-ethdiyl-arabinofuranosyl-thymine-5'-monophosphate
+Cc1ccc(c(c1)S)S	TLD	4-methylbenzene-1,2-dithiol
+CCC1=C([C@@](SC1=O)(C)/C=C(\C)/C=C)O	TLE	(5r)-3-ethyl-4-hydroxy-5-methyl-5-[(1e)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5h)-one
+Cc1c(cccc1Cl)Nc2ccccc2C(=O)O	TLF	2-[(3-chloro-2-methylphenyl)amino]benzoic acid
+C/C(=C/[C@@]1(C(=C(C(=O)S1)C(=O)C)O)C)/C=C	TLG	(5r)-3-acetyl-4-hydroxy-5-methyl-5-[(1z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5h)-one
+C/C(=C\[C@@]1(C(=C(C(=O)S1)C(=O)C(F)(F)F)O)C)/C=C	TLH	(5r)-5-methyl-5-[(1e)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one
+CCCC1=C([C@@](SC1=O)(C)/C=C(\C)/C=C)O	TLJ	(5r)-4-hydroxy-5-methyl-5-[(1e)-2-methylbuta-1,3-dien-1-yl]-3-propylthiophen-2(5h)-one
+COc1cc(ccc1n2ccnc2c3ccccc3)C=O	TLK	3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde
+CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O	TLL	n-[4-({[(6s)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-l-gamma-glutamyl-l-glutamic acid
+CC1=C([C@@](SC1=O)(C)\C=C(/C)\C=C)O	TLM	thiolactomycin
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COP(=O)(O)O)O	TLN	[(1r,3r,4r,7s)-7-hydroxy-3-(thymin-1-yl)-2,5-dioxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O	TLO	5'-o-[(s)-hydroxy{[(s)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O	TLP	3-hydroxy-2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-butyric acid
+c1ccc(cc1)c2nccn2c3ccc(c4c3cccc4)C=O	TLQ	4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde
+CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C)C	TLS	4'-[(1,7'-dimethyl-2'-propyl-1h,3'h-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid
+Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O	TLT	tolmetin
+c1c(cc(c(c1Cl)Oc2cc(c(c(c2)Cl)O)Cl)Cl)C[C@@H](C(=O)O)N	TLV	(2~{s})-2-azanyl-3-[4-[3,5-bis(chloranyl)-4-oxidanyl-phenoxy]-3,5-bis(chloranyl)phenyl]propanoic acid
+C1[C@H]([C@H]([C@H](O[C@H]1C(=O)O)[C@@H](CO)O)O)O	TLW	(2~{r},4~{r},5~{r},6~{r})-6-[(1~{r})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+CC(C)C[C@@H](C[N@@]1CCC[N@]2[C@H]1CCC2)N	TLX	n1-(2-amino-4-methylpentyl)octahydro-pyrrolo[1,2-a] pyrimidine
+CC(=S)NCCCC[C@@H](C(=O)O)N	TLY	(2s)-2-azanyl-6-(ethanethioylamino)hexanoic acid
+C([C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O	TLZ	d-altritol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)OC5(O4)C(=CC(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N	TM1	2',3'-o-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate)
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CNCCS(=O)(=O)O	TM2	5-{[(2-sulfoethyl)amino]methyl}uridine 5'-(dihydrogen phosphate)
+Cc1ccc(c(c1)NCc2ccc3c(c2)n(c(n3)NCCCN4CCOCC4)Cc5c(ccc(n5)C)O)CCCO	TM3	2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1h-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol
+CC1=C(C(=S)C=CO1)O	TM4	3-hydroxy-2-methyl-4h-pyran-4-thione
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)S)CO)CO)CO)CO)O)O)O)O	TM5	thio-maltopentaose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)S[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O	TM6	thio-maltohexaose
+CC1=CC(=S)C(=CO1)O	TM7	5-hydroxy-2-methyl-4h-pyran-4-thione
+c1ccc(cc1)C[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4	TM8	nalpha-[(benzyloxy)carbonyl]-n-[(2s)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-l-phenylalaninamide
+[C@H]1([C@@H]([C@H]([C@@H](O[C@H]1O)C(O)O)O)O)N	TM9	(2r,3r,4s,5r,6r)-3-azanyl-6-[bis(oxidanyl)methyl]oxane-2,4,5-triol
+C[N+](C)(C)C	TMA	tetramethylammonium ion
+C\C=C\C[C@@H](C)[C@H]([C@@H](C(=O)O)N(C)C)O	TMB	n-methyl-4-[(e)-2-butenyl]-4,n-dimethyl-threonine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@]3([C@@H]2C3)CO)O	TMC	1-[4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
+CCCC[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O	TMD	(6,7-dihydro)4-[(e)-butenyl]-4,n-dimethyl-threonine
+CCC	TME	propane
+c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)[N@@]2C[C@H]3C=NC4=C([N@]3C2)C(=O)N=C(N4)N	TMF	5,10-methylene-6-hydrofolic acid
+c1ccc2c(c1)[nH]c(n2)c3cscn3	TMG	2-(1,3-thiazol-4-yl)-1h-benzimidazole
+CC1=CC[C@@H]2C[C@H]1C2(C)C	TMH	(+)-alpha-pinene
+c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4	TMI	1-[phenyl-(4-phenylphenyl)-methyl]imidazole
+c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNCC3)Cl	TMJ	n-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
+[CH3].[CH3].[CH3]	TML	methyl part of n-trimethyllysine
+c1c(cc(cc1C(=O)O)C(=O)O)C(=O)O	TMM	1,3,5-benzenetricarboxylic acid
+C(C(CO)(CO)N)O	TMN	tris(hydroxymethyl)aminomethane
+C[N+](C)(C)[O-]	TMO	trimethylamine oxide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	TMP	thymidine-5'-phosphate
+Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC	TMQ	trimetrexate
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)SC	TMR	2,6-dideoxy-4-s-methyl-4-thio-beta-d-ribo-hexopyranose
+COc1cc(cc(c1OC)OC)\C=C\c2ccc(cc2)C(=O)NCCCO	TMS	n-propyl-4-[(e)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-benzamide
+Cc1csc([n+]1C)C	TMT	2,3,4-trimethyl-1,3-thiazole
+COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-]	TMU	n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O[V](O)(O)(O)O	TMV	thiamine-phosphovanadate
+C[N+](C)(C)[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O	TMX	2-deoxy-2-(trimethylammonio)-beta-d-glucopyranose
+CCCCCCCC(=O)c1cc(c(c(c1CC(=O)OCC)OC)OC)OC	TMY	ethyl (2,3,4-trimethoxy-6-octanoylphenyl)acetate
+Cc1c(sc[n+]1C)C	TMZ	3,4,5-trimethyl-1,3-thiazole
+c1cc2c(c(c1)O)CCCC2	TN1	5,6,7,8-tetrahydronaphthalen-1-ol
+c1cc(c(cc1[N+](=O)[O-])Cl)Oc2ccc(cc2O)Cl	TN2	5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
+CNC(=O)c1ccc(c(c1)Cl)Oc2ccc(cc2O)Cl	TN3	3-chloro-4-(4-chloro-2-hydroxyphenoxy)-n-methylbenzamide
+CC(=CC[C@@H]1C(O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)NC(=O)CCl)OC)C	TN4	(1r,2s,3s,4r)-4-hydroxy-2-methoxy-4-methyl-3-[(2r,3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate
+c1cc(c(cc1N)Cl)Oc2ccc(cc2O)Cl	TN5	2-(4-amino-2-chlorophenoxy)-5-chlorophenol
+CCN(CC)P(=O)(O)O	TN6	diethylphosphoramidic acid
+CCN[P@](=O)(O)OCC	TN7	ethyl hydrogen ethylamidophosphate
+c1cc(ccc1CCN/C(=N/c2ccc(cc2)I)/[SeH])S(=O)(=O)N	TN8	~{n}'-(4-iodophenyl)-~{n}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid
+C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N	TNA	n-[(3s)-3-{[(3s)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-l-glutamic acid
+c1c(cc(c(c1[N+](=O)[O-])SC[C@@H](C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-]	TNB	s-(2,3,6-trinitrophenyl)cysteine
+CN(C)[C@H]1[C@@H]2Cc3cc4cccc(c4c(c3C(=C2C(=C(C1=O)C(=O)N)O)O)O)O	TNC	4-dimethylamino-1,10,11,12-tetrahydroxy-3-oxo-3,4,4a,5-tetrahydro-naphthacene-2-carboxylic acid amide
+COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2n3cnc4c3ncnc4N[C@@H]5CCCc6c5cccc6)CO)O	TND	n-1,2,3,4-tetrahydronaphth-1-yl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine
+CN1[C@H]2CC[C@@H]1CC(=O)C2	TNE	8-methyl-8-azabicyclo[3,2,1]octan-3-one
+c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]	TNF	picric acid
+C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]	TNG	propane-1,2,3-triyl trinitrate
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCNC(=O)c4cccnc4	TNH	n-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide
+Cc1c2c(cc(c1N3C[C@H]4C[C@]4(C3)N)F)C(=C(C(=O)N2C5CC5)F)CN	TNJ	7-[(1s,5r)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1h)-one
+CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3	TNK	6-benzyl-1-benzyloxymethyl-5-isopropyl uracil
+Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	TNL	2,4,6-trinitrotoluene
+C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)OP(=O)(O)O	TNM	[(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxy-phosphinic acid
+C[C@H]([C@]12[C@@H]3C#C/C=C\C#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)OC)C5=O)O)O)O	TNN	(1as,11s,11ar,14z,18r)-3,8,18-trihydroxy-11a-[(1r)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4h-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10h)-dione
+Cc1cc2c(c(c3cc(c[n+](c3c2nc1)C)C)C)C	TNP	3,5,6,8-tetramethyl-n-methyl phenanthrolinium
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NCC(=O)O	TNQ	6-[(carboxymethyl)amino]-7-hydroxy-l-tryptophan
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)N)CO)O)O	TNR	o-(2-acetamido-2-deoxy-alpha-d-galactopyranosyl)-l-serine
+CN(CCCCC(=O)O)c1ccc(cc1)\C=C\c2ccc(cc2)[N+](=O)[O-]	TNS	n-(trans-4'-nitro-4-stilbenyl)-n-methyl-5-amino-pentanoic acid
+c1cc(ccc1C(=N)N)OCCCOc2ccc(cc2)C(=N)N	TNT	1,3-bis(amidinophenoxy)propane
+C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	TNV	[2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl-triphosphate
+Cc1cccc(c1)N2c3cc(ccc3C(=NC2=O)N(C)C)Cl	TNW	7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
+CC(=S)NC1=CO[C@@H]([C@H]([C@@H]1O)O)CO	TNX	1,5-anhydro-2-deoxy-2-(ethanethioylamino)-d-arabino-hex-1-enitol
+C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C	TNY	(2s,3r)-3-{[(2s,3r,4r,5r,6r)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}-2-aminobutanoic acid (non-preferred name)
+COc1nc2ccc(cc2c(n1)c3ccccc3)Cl	TNZ	6-chloranyl-2-methoxy-4-phenyl-quinazoline
+c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N	TO1	4-amino-7-(beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+COc1ccccc1O[C@@H](CO)[C@@H](c2ccc(c(c2)OC)OC)O	TO2	(1r,2s)-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
+c1cc(cnc1)CN(Cc2ccc(cc2)C(=O)NO)S(=O)(=O)c3cc(c(c(c3F)F)F)F	TO3	n-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide
+CC(C)O[P@](=O)(CCCCCCCCCCC=C)F	TO4	propan-2-yl (r)-dodec-11-en-1-ylphosphonofluoridate
+CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3cccnc3	TO5	7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one
+c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@H]3C[C@@H]4CC[C@H]3C4)N)[N+](=O)[O-]	TO7	(4-amino-2-{[(1s,2s,4r)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
+CN(C)C1=NC(=O)Nc2c1ccc(c2)Cl	TO8	7-chloranyl-4-(dimethylamino)-1~{h}-quinazolin-2-one
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O	TOA	3-ammonio-3-deoxy-alpha-d-glucopyranose
+C1[C@@H](C[C@@H]([C@H]([C@@H]1[NH3+])O)O)[NH3+]	TOB	1,3-diamino-5,6-dihydroxycyclohexane
+C1[C@H]([C@H](O[C@@H]([C@H]1O)C[NH3+])O)[NH3+]	TOC	2,6-diammonio-2,3,6-trideoxy-alpha-d-glucopyranose
+CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](c1ccccc1)C(=O)O	TOD	(2s)-({(2r)-2-[(1s)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid
+COCCOCCOCCO	TOE	2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxyl
+CN1C2=NC(=O)N(C(=O)C2=NC=N1)C	TOF	1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1h,6h)-dione
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O	TOG	4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3 -ium-2-yl]-4-oxidanyl-butanoic acid
+c1ccc(c(c1)C=CC(=O)C(=O)O)O	TOH	(3e)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid
+[H]/N=C/1\C(=CNC(=N1)C)C[n+]2c(c(sc2[C@](CCC(=O)O)([C@H]3C=C[C@@H]([C@H]([C@@H]3C(=O)O)O)OC(=C)C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O)C	TOI	(1~{r},2~{s},5~{s},6~{s})-2-[(1~{s})-1-[3-[(4-azanylidene-2-methyl-1~{h}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid
+c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@@H]3C[C@H]4CC[C@@H]3C4)N)[N+](=O)[O-]	TOJ	(4-amino-2-{[(1r,2r,4s)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
+C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4n5cnc6c5cccc6)C)O	TOK	(3alpha,8alpha)-17-(1h-benzimidazol-1-yl)androsta-5,16-dien-3-ol
+CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC	TOL	tolrestat
+COc1ccccc1C=CC(=O)C(=O)O	TOM	4-(2-methoxyphenyl)-2-oxobut-3-enoic acid
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCO	TON	2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanol
+COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N	TOP	trimethoprim
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)O	TOQ	6,7-dihydroxy-l-tryptophan
+CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C	TOR	[(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
+Cc1ccc(cc1)[S@@](=O)O	TOS	p-sulfinotoluene
+CN1/C(=C/c2c3c([n+](cc2)CCC[N+](CCC[N+](CCC[n+]4c5c(c(cc4)/C=C/6\Sc7c(cccc7)N6C)cccc5)(C)C)(C)C)cccc3)/Sc8c1cccc8	TOT	1,1-(4,4,8,8-tetramethyl-4,8-diazaundecamethylene)-bis-4-3-methyl-2,3-dihydro-(benzo-1,3-thiazole)-2-methylidene)-quinolinium
+C(=S)(N)N	TOU	thiourea
+CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4cc(ccc4F)O	TOV	n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide
+CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)CCO	TOW	7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
+c1ccc2c(c1)c(cn2OO)C[C@@H](C(=O)O)N	TOX	1-hydroperoxy-l-tryptophan
+C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N	TOY	tobramycin
+c1c(nc(o1)c2csc(n2)CN)C(=O)O	TOZ	2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid
+CN(C)CCC=C1c2ccccc2CCc3c1cccc3	TP0	amitriptyline
+CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC)CC(=O)O	TP1	2-(methylamino)-ethylglycine-carbonylmethylene-thymine
+Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCS	TP2	n-[tosyl-d-prolinyl]amino-ethanethiol
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O	TP3	4-[[glutamic acid]-carbonyl]-benzene-sulfonyl-d-proline
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCC(=O)O	TP4	n-[4-[[glutamic acid]-carbonyl]-benzene-sulfonyl-d-prolinyl]-3-amino-propanoic acid
+[H]/N=C(\c1ccsc1)/N	TP5	thiophene-3-carboximidamide
+C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CCOP(=O)(O)O	TP6	3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) 1-phosphate
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O	TP7	coenzyme b
+[H]/N=C/1\[C@H](C=NC(=N1)C)C[n+]2c(c(sc2/C(=C/CO[P@](=O)(O)[O-])/O)CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])C	TP8	5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1z)-1-hydroxy-3-(phosphonooxy)prop-1-en-1-yl]-3-{[(4z)-4-imino-2- methyl-4,5-dihydropyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium
+Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])\S)/C	TP9	(3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate
+c1ccc(cc1)[C@H]2C[C@@H]2[NH3+]	TPA	trans-2-phenylcyclopropylamine
+Cc1cc(c(c(c1)C)Nc2ccnc(n2)Nc3ccc(cc3)C#N)C	TPB	4-[4-(2,4,6-trimethyl-phenylamino)-pyrimidin-2-ylamino]-benzonitrile
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CSP(=O)(O)O)O	TPC	5'-thio-2'-deoxy-cytosine phosphonic acid
+c1cc(sc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N	TPD	n-(2-thienylmethyl)-2,5-thiophenedisulfonamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)OC(=O)C	TPE	3'-o-acetylthymidine-(5' diphosphate phenyl ester)
+c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O	TPF	2-(2,4-difluorophenyl)-1,3-di(1h-1,2,4-triazol-1-yl)propan-2-ol
+CN1CN(C2=C1C(=O)NC(=N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O	TPG	2,2,7-trimethyl-guanosine-5'-triphosphate-5'-guanosine
+c1ccc(cc1)C[C@@H](C(O)O)N	TPH	2-amino-3-phenyl-propane-1,1-diol group
+c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N	TPI	4-carbamoyl-4-{[6-(difluoro-phosphono-methyl)-naphthalene-2-carbonyl]-amino}-butyric acid
+CC(C)(C)[C@H]1CC[C@H](N1)C(=O)O	TPJ	(5r)-5-tert-butyl-l-proline
+C1C[C@H](NC1)[C@H](CO)O	TPK	(1r)-1-[(2s)-pyrrolidin-2-yl]ethane-1,2-diol
+c1ccc2c(c1)c(c[nH]2)C[C@@H](CO)N	TPL	tryptophanol
+c1cc(ccc1CNC2=[NH+]CCCC2)N	TPM	2-(4-aminobenzylamino)-3,4,5,6-tetrahydropyridinium
+CC1=CN(C(=O)NC1=O)CC(=O)N(CC[NH3+])CC(=O)O	TPN	2-aminoethylglycine-carbonylmethylene-thymine
+C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O	TPO	phosphothreonine
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O	TPP	thiamine diphosphate
+C1=C(C(=O)C=C(C1=O)O)C[C@@H](C(=O)O)N	TPQ	5-(2-carboxy-2-aminoethyl)-2-hydroxy-1,4-benzoquinone
+Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O	TPR	tosyl-d-proline
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O	TPS	thiamin phosphate
+C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Pt+]2([N]5=C4C=CC=C5)Cl	TPT	2,2':6',2''-terpyridine platinum(ii) chloride
+Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O	TPU	2-{1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-methyl-1h-1,2,3-triazol-4-yl}ethyl trihydrogen diphosphate
+CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4	TPV	n-(3-{(1r)-1-[(6r)-4-hydroxy-2-oxo-6-phenethyl-6-propyl-5,6-dihydro-2h-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)-2-pyridinesulfonamide
+Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C	TPW	2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate
+CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc(cc1)C)C(=O)O	TPX	(2s,3s)-3-formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic acid
+CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)O	TPY	(2s,3s)-3-formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCS)OP(=O)(O)O	TPZ	o-phosphono-n-(5-sulfanylpentanoyl)-l-threonine
+c1cc([nH]c1)c2ccc3c(c2)N4C(=NNC4=O)C=C3CO	TQ1	5-(hydroxymethyl)-8-(1h-pyrrol-2-yl)-2h-[1,2,4]triazolo[4,3-a]quinolin-1-one
+Cc1ccc(cc1C)c2c3ccccc3nc(c2[C@@H](C(=O)O)OC(C)(C)C)C	TQ2	(2s)-tert-butoxy[4-(3,4-dimethylphenyl)-2-methylquinolin-3-yl]ethanoic acid
+c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N	TQ3	5-phenylsulfanyl-2,4-quinazolinediamine
+Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N	TQ4	5-[(4-methylphenyl)sulfanyl]-2,4-quinazolinediamine
+CC(C)(C)c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N	TQ5	5-[4-tert-butylphenylsulfanyl]-2,4-quinazolinediamine
+c1cc2c(c(c1)Sc3ccc(cc3)N4CCOCC4)c(nc(n2)N)N	TQ6	5-(4-morpholin-4-yl-phenylsulfanyl)-2,4-quinazolinediamine
+CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccc(s3)Br	TQ7	5-bromo-n-(diphenylmethyl)-n-methylthiophene-2-carboxamide
+Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl	TQ8	n-[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide
+C(CC(=O)O)C(=O)CCl	TQ9	5-chloro-4-oxopentanoic acid
+CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4ccccc4CN5Cc6ccccc6C5=O	TQA	n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2h-isoindol-2-yl)methyl]benzamide
+CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3ccccc3	TQB	7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one
+CN(CC1CCC2=C(C1)C(=N[C@@H](N2)N)N)c3cc(c(c(c3)OC)OC)OC	TQD	(2r,6s)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine
+CCOC1=NC(=NC(=O)N1)N(C)C	TQE	4-(dimethylamino)-6-ethoxy-1~{h}-1,3,5-triazin-2-one
+c1cc(cc(c1)OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O	TQG	n-[(3-carboxyphenoxy)acetyl]-l-glutamic acid
+Cc1ccc(o1)CNc2[nH]c(nn2)c3cccs3	TQH	~{n}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{h}-1,2,4-triazol-3-amine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NS(=O)(=O)c3ccc(c(c3)C(F)(F)F)Cl	TQI	n-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}-l-tryptophan
+c1cnc(nc1)CCC[C@@H](CS(=O)(=O)N2CCN(CC2)c3ccc(cn3)Br)N(C=O)O	TQJ	n-[(2s)-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-yl-pentan-2-yl]-n-hydroxy-methanamide
+Cc1cc(ccc1C=O)n2ccnc2c3ccccc3	TQK	2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde
+c1cc(cnc1)/C(=N\O)/c2ccc(cc2O)O	TQL	4-[(e)-n-oxidanyl-c-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol
+c1cc(cc(c1)F)c2ccc3c(c2)c(c(o3)C#Cc4cccs4)CC(=O)O	TQM	{5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid
+CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O	TQN	[(3~{r})-1-[[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-[[(2~{r},3~{r},4~{r},5~{s},6~{r})-3-[[(3~{r})-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3~{r})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxymethyl]-5-oxidanyl-4-[(3~{r})-3-oxidanyltetradecanoyl]oxy-2-phosphonooxy-oxan-3-yl]amino]-1-oxidanylidene-tetradecan-3-yl] hexadecanoate
+Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O	TQP	(2r,3r,4s,5s,6r)-3,5-dihydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2h-pyran-2-yl [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
+[H]/N=C\1/C=Cc2c(c[nH]c2C1=O)C[C@@H](C(=O)O)N	TQQ	(s)-2-amino-3-(6,7-dihydro-6-imino-7-oxo-1h-indol-3-yl)propanoic acid
+Cc1c2c(on1)[C@H]3C[C@H]4CNC[C@]4([C@@H]2O)N3C	TQS	(4r,4ar,7as,9r)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4h-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
+C1CCC2C(C1)CCN2C[C@H]3CCC4C(C3)C(NC(N4)N)N	TQT	6-(octahydro-1h-indol-1-ylmethyl)decahydroquinazoline-2,4-diamine
+c1cc2c(cc1N)c(ccn2)n3cncn3	TQU	4-(1h-1,2,4-triazol-1-yl)quinolin-6-amine
+Cc1ccccc1OP(=O)(O)OCc2ccccc2O	TQV	o-cresyl-saligenin phosphate
+COc1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O	TQW	4-[(6-methoxy-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde
+Cc1c(cc(c2c1CCCO2)F)c3c4ccccc4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C	TQX	(2s)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2h-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid
+CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	TQY	6-o-octanoyl-alpha-d-glucopyranose
+C([C@@H](C(=O)O)N)SSSSS	TQZ	2-amino-3-pentasulfanylpropan-1-ol
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4ccccc4)O	TR0	(4r)-n-(biphenyl-4-ylmethyl)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolinamide
+CC(C)[C@@H](C(=O)OC)NC(=O)CNC(=O)[C@H](CS)NCc1ccc(cc1)c2ccccc2	TR1	2-(2-{2-[(biphenyl-4-ylmethyl)-amino]-3-mercapto-pentanoylamino}-acetylamino)-3-methyl-butyric acid methyl ester
+c1cnc2ccsc2c1O	TR2	thieno[3,2-b]pyridin-7-ol
+CSc1c2ccc(cc2n(n1)c3ccccc3)NC(=O)C4CCNCC4	TR3	n-[3-(methylsulfanyl)-1-phenyl-1h-indazol-6-yl]piperidine-4-carboxamide
+CSc1c(c(n(n1)c2ccccc2)N)C#N	TR4	5-amino-3-(methylsulfanyl)-1-phenyl-1h-pyrazole-4-carbonitrile
+CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C(=N1)N	TR5	5-methyl-1-(5-o-phosphono-beta-d-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine
+c1cc(c(cc1F)F)N2C=C(C(=O)c3c2nc(c(c3)F)N4C[C@@H]5[C@H](C4)C5N)C(=O)O	TR6	trovafloxacin
+COC(=O)[C@H](Cc1c[nH]c2c1cccc2)N	TR7	methyl l-tryptophanate
+[B-](C(CCO)NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(CCCCC3=CC=CC4C3CN(C4)C(=O)O2)(C)C)C(C)(C)C)(O)(O)O	TR8	(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1h,5h-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3h)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)
+CC1=C(C(=O)C[C@@H](C1=O)O)O	TR9	(5s)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione
+C(/C(=C\C(=O)[O-])/C(=O)[O-])C(=O)[O-]	TRA	aconitate ion
+C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C	TRB	4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2h-2,7,9a-triaza-benzo[cd]azulene-1-thione
+C(C(CC(=O)O)C(=O)O)C(=O)O	TRC	tricarballylic acid
+CCCCCCCCCCCCC	TRD	tridecane
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O	TRE	trehalose
+c1ccc2c(c1)c(cn2C=O)C[C@@H](C(=O)O)N	TRF	n1-formyl-tryptophan
+CN(C)CCCC[C@@H](C(=O)O)N	TRG	l-(n,n dimethyl)lysine
+C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O	TRH	2'-deoxy-thymidine-beta-l-rhamnose
+c1[nH]cnn1	TRI	1,2,4-triazole
+c1cc(cc(c1)CN)CN	TRJ	meta-di(aminomethyl)benzene
+C[C@H]1[C@H]2C(=O)C=C([C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C/3\C(=O)CNC3=O)/O)C)C	TRK	tirandamycin d
+CC[C@H](C=O)[C@@H]1[C@H](CCN1C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)NS(=O)(=O)C	TRL	{1-[2-(1-formyl-propyl)-3-methanesulfonylamino-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester
+c1ccc2c(c1)[nH]c(n2)C(=O)O	TRM	1h-benoximidazole-2-carboxylic acid
+c1cc2c(c[nH]c2nc1)C[C@@H](C(=O)O)N	TRN	nz2-tryptophan
+c1ccc2c(c1)c(c([nH]2)O)C[C@@H](C(=O)O)N	TRO	2-hydroxy-tryptophan
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N	TRP	tryptophan
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])[NH-]	TRP_LEO2	l-tryptophan c-terminal deprotonated fragment
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)[NH-]	TRP_LEO2H	l-tryptophan c-terminal protonated fragment
+c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)O)[NH-]	TRP_LEO2H_DHE1	l-tryptophan-c-terminal protonated fragment/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)[O-])[NH-]	TRP_LEO2_DHE1	l-tryptophan-c-terminal deprotonated fragment/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N	TRP_LFOH	l-tryptophan free neutral
+c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)O)N	TRP_LFOH_DHE1	l-tryptophan-free neutral/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])[NH3+]	TRP_LFZW	l-tryptophan free zwitterion
+c1ccc2c(c1)c(c[n-]2)C[C@@H](C(=O)[O-])[NH3+]	TRP_LFZW_DHE1	l-tryptophan-free zwitterion/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[nH]2)C[C@@H]([C-]=O)[NH-]	TRP_LL	l-tryptophan - linking embedded fragment
+c1ccc2c(c1)c(c[n-]2)C[C@@H]([C-]=O)[NH-]	TRP_LL_DHE1	l-tryptophan-linking embedded fragment/with side chain deprotonated ne1
+c1ccc2c(c1)c(c[nH]2)C[C@@H]([C-]=O)[NH3+]	TRP_LSN3	l-tryptophan n-terminal protonated fragment
+c1ccc2c(c1)c(c[n-]2)C[C@@H]([C-]=O)[NH3+]	TRP_LSN3_DHE1	l-tryptophan-n-terminal protonated fragment/with side chain deprotonated ne1
+c1c(c2c([nH]1)C(=O)C(=O)C=C2)C[C@@H](C(=O)O)N	TRQ	2-amino-3-(6,7-dioxo-6,7-dihydro-1h-indol-3-yl)-propionic acid
+COc1cc(cc(c1OC)OC)Cc2c[nH+]c(nc2N)N	TRR	2,4-diamino-5-(3,4,5-trimethoxy-benzyl)-pyrimidin-1-ium
+C(C(CO)(CO)[NH3+])O	TRS	2-amino-2-hydroxymethyl-propane-1,3-diol
+CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC	TRT	fragment of triton x-100
+c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl	TRU	6-chloro-3-(dichloromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
+CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O	TRV	6-o-octanoyl-beta-d-fructofuranose
+c1ccc(cc1)NNc2ccc3c(c[nH]c3c2O)C[C@@H](C=O)N	TRW	trw3-(2-amino-3-hydroxy-propyl)-6-(n'-cyclohexyl-hydrazino)octahydro-indol-7-ol
+c1cc2c(cc1O)[nH]cc2C[C@@H](C(=O)O)N	TRX	6-hydroxytryptophan
+c1ccc2c(c1)c(c[nH]2)/C=C(/C(=O)O)\N	TRY	(2z)-2-amino-3-(1h-indol-3-yl)prop-2-enoic acid
+Cc1cc2c(cc1C(=O)CCC(=O)O)[C@H]([C@@H](C2(C)C)C)C(C)C	TRZ	trazeolide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O)O	TS	thymidine-5'-thiophosphate
+C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@H]([C@@H](CO)O)O)O	TS0	4-{2,6,8-trioxo-9-[(2s,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}butyl dihydrogen phosphate
+C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O	TS1	4-{2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}butyl dihydrogen phosphate
+C1CCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNC1)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N	TS2	2-amino-4-[4-(4-amino-4-carboxy-butyrylamino)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaaza-cyclotetracos-23-ylcarbamoyl]-butyric acid
+C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N	TS3	bis[[5-glutamyl-cysteinyl-glycyl]-aminopropyl]amine
+C(CCNCCCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CC[C@H](C(=O)O)N)NC(=O)CC[C@H](C(=O)O)N)CN	TS4	glutathionylspermidine disulfide
+C(CCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CN	TS5	glutathionylspermidine
+OP(=O)(O)S	TS6	monothiophosphate
+CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)OC(=O)C)OC(=O)C)OC(=O)C	TS8	2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranose
+C[C@H]([C@](C)([C@@H](C(=O)O)N)O)O	TS9	(2s,3s,4r)-2-amino-3,4-dihydroxy-3-methylpentanoic acid
+C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O	TSA	8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid
+C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O	TSB	5'-o-(n-(l-threonyl)-sulfamoyl)adenosine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](N)O	TSC	(1s)-1-amino-2-(1h-indol-3-yl)ethanol
+[2H]C([2H])(C(=O)[O-])C([2H])([2H])[Si](C)(C)C	TSD	3-trimethylsilyl-propionate-2,2,3,3,-d4
+C(C(=O)O)P(=S)(O)O	TSE	thiophosphonoacetic acid
+C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CC(F)(F)P(=O)(O)O	TSF	3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) 1,1 difluoropentane-1-phosphate
+[H]/N=C\Cc1c[nH]c2c1cccc2	TSH	2-(1h-indol-3-yl)ethanimine
+C[C@H]([C@](C)(CN)O)O	TSI	(2s,3r)-1-amino-2-methylbutane-2,3-diol
+Cc1cc(cc(c1)C(F)(F)F)c2cc([nH]n2)NC(=O)c3ccc(cc3C)C(=O)O	TSJ	3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1h-pyrazol-5-yl}carbamoyl)benzoic acid
+Cn1cc(c2c1cc(c(c2)F)I)C3=C(C(=O)NC3=O)c4coc5c4cccc5OC	TSK	3-(5-fluoro-6-iodo-1-methyl-1h-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1h-pyrrole-2,5-dione
+CC(C)([C@H](C(=O)O)N/C=C/C=O)[S@@](=O)O	TSL	trans-enamine intermediate of sulbactam
+CC(C)(C)S(=O)(=O)O	TSM	2-methylpropane-2-sulfonic acid
+C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C	TSN	trichostatin a
+C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O	TSO	(1r,3s,5s,8r)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)S	TSP	3'-thio-thymidine-5'-phosphate
+C[Si](C)(C)c1ccc(cc1)C[C@@H](C(=O)O)N	TSQ	4-(trimethylsilyl)-l-phenylalanine
+c1ccc2c(c1)c(c[nH]2)CC(=O)N	TSR	2-(1h-indol-3-yl)acetamide
+c1ccc2c(c1)c(c[nH]2)CCN	TSS	2-(1h-indol-3-yl)ethanamine
+Cc1ccc(cc1)S(=O)(=O)N2CCSC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)O	TST	4-methyl-2-{[4-(toluene-4-sulfonyl)-thiomorpholine-3-carbonyl]-amino}-pentanoic acid
+Cc1ccc(cc1)S(=O)(=O)O	TSU	para-toluene sulfonate
+CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6	TSV	(2r,6s,12z,13as,14ar,16as)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2h-isoindole-2-carboxylate
+CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)CC=C	TSX	n-[4-(1-allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-ylmethyl)-phenyl]-acetamide
+C([C@@H](C(=O)O)N)SSS	TSY	(2s)-2-amino-3-trisulfanylpropanoic acid
+C(=S)(N)NN	TSZ	hydrazinecarbothioamide
+C[C@@]12[C@H]3[C@H]4[C@@]1(C(=O)NC(=O)N4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)OCOC[C@@H]6[C@H](C[C@H](N3C(=O)NC2=O)O6)O)C	TT	[(1r,3r,4s,9r,10s,12r,15as,15br,18br,18cs)-10-hydroxy-15a,15b-dimethyl-13,15,16,18-tetraoxohexadecahydro-8h-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraazacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl dihydrogen phosphate
+c1ccc(cc1)Cn2c(nnc2SCc3ccccc3Cl)c4cccs4	TT1	4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4h-1,2,4-triazole
+C[C@@H](\C=C\C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H](C(=C)[C@@H](C6)O)O)C	TT2	(1r,3r,7e,17beta)-17-{(1s,2e,5r)-5-hydroxy-1-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+c1ccc(cc1)n2c(nc(n2)N)N	TT4	1-phenyl-1h-1,2,4-triazole-3,5-diamine
+C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)OP(=O)(O)O)O	TT7	4-o-phosphono-beta-d-fructofuranose
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O	TT8	(2s)-2-azanyl-4-[[(2s,3s,4r,5r)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
+c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4	TTA	tetraphenyl-arsonium
+C/C(=C\c1ccc(cc1)C(=O)O)/c2ccc3c(c2)C(CCC3(C)C)(C)C	TTB	4-[(1e)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]benzoic acid
+CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5c(ccc(c5CN(C)C)O)nc4C3=C2)O	TTC	(s)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1h-pyrano[3',4':6,7]inolizino[1,2-b]-quinoline-3,14(4h,12h)-dione
+C[C@@]12[C@H]3[C@H]4[C@@]1(C(=O)NC(=O)N4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O[P@@](=O)(OC[C@@H]6[C@H](C[C@H](N3C(=O)NC2=O)O6)O)O)C	TTD	cis-syn cyclobutane thymine dimer
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O	TTE	phosphomethyl phosphonic acid deoxythymidylate ester
+c1cc(sc1)C(=O)CC(=O)C(F)(F)F	TTF	4,4,4-trifluoro-1-thien-2-ylbutane-1,3-dione
+CC[C@](C1=C(C(=O)N2Cc3cc4c(ccc(c4CN(C)C)O)nc3C2=C1)CO)(C(=O)O)O	TTG	2-(1-dimethylaminomethyl-2-hydroxy-8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-b]quinolin-7-yl)-2-hydroxy-butyric acid
+C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	TTH	2,6,10,14-tetramethyl-hexadeca-2,6,10,14-tetraene
+C1[C@@H]([C@H](O[C@H]1N2CC(=[Te])C(=O)NC2=O)COP(=O)(O)O)O	TTI	2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)
+Cc1cc(cc(c1)c2cc([nH]n2)NC(=O)[C@H]3COCCO3)C	TTJ	(2r)-n-[3-(3,5-dimethylphenyl)-1h-pyrazol-5-yl]-1,4-dioxane-2-carboxamide
+c1ccc2c(c1)CC[C@@H]([C@H]2O)N	TTL	trans-(1s,2s)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
+CCN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C	TTM	n3-ethyl-thymidine-5'-monophosphate
+C(C(=O)[O-])(C(=O)[O-])O	TTN	tartronate
+c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O	TTO	(3,4-dihydroxy-phenyl)-triphenyl-arsonium
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	TTP	thymidine-5'-triphosphate
+c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N	TTQ	6-amino-7-hydroxy-l-tryptophan
+CC(=O)n1c2ccccc2c3c1C(=O)CCC3	TTR	9-acetyl-2,3,4,9-tetrahydro-1h-carbazol-1-one
+c1cc(ccc1CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N)O	TTS	3-((3e)-4-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]imino}-6-oxocyclohexa-1,4-dien-1-yl)alanine
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)N	TTT	5-amino-2-methyl-n-[(1r)-1-naphthalen-1-ylethyl]benzamide
+C([C@@H]1[C@H]([C@H]([C@](O1)(CO)O)O)O)O	TTV	beta-d-psicofuranose
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O	TTW	5'-o-[hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]thymidine
+C[C@H]1C(=O)N[C@H](C(=O)N(/C(=C\c2ccccc2)/C(=O)NCC(=O)N1C)C)CC(C)C	TTX	tentoxin
+c1c(c2c(o1)CCCC2=O)C(=O)O	TTY	4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)NC2=N[C@@H]3[C@H](S2)[C@H]([C@@H]([C@@]3(CO)O)O)O)O)O)O)O	TTZ	n-[(3as,4r,5s,6s,6as)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]thiazol-2-yl]-alpha-  d-glucopyranosylamine
+c1cc(c(cc1Br)/C=C/S(=O)(=O)O)O	TU0	(e)-2-(5-bromo-2-hydroxyphenyl)ethenesulfonic acid
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cc(ccc5F)F	TU1	4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide
+Cc1ccc(cc1O)c2ccc(c(n2)C(=O)c3cc(c(c(c3)OC)OC)OC)F	TU2	[3-fluoro-6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
+Cc1ccc(cc1O)c2cncc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC	TU3	[6-(3-hydroxy-4-methylphenyl)pyrazin-2-yl](3,4,5-trimethoxyphenyl)methanone
+CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O	TU4	3-o-octanoyl-alpha-d-glucopyranose
+c1ccc(cc1)[C@H]2CN(CCO2)C(=O)c3ccc(cc3Cl)Cl	TU7	(2,4-dichlorophenyl)[(2s)-2-phenylmorpholin-4-yl]methanone
+c1ccc2c(c1)CC[C@@]23C(=O)N(C(=O)N3)c4cc(cnc4)F	TU8	(3~{s})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
+C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O	TUA	prednisolone
+C[N@]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@H]6Cc7ccc(c(c7)O3)O)(C)C)OC	TUB	(1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium
+c1cc2cnccc2c(c1)OCC(=O)O	TUC	(isoquinolin-5-yloxy)acetic acid
+C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	TUD	taurochenodeoxycholic acid
+C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N	TUE	7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine
+C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	TUG	3,4-di-o-sulfo-alpha-d-altropyranose
+CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c3)ccn4C	TUH	5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1h-indol-5-yl)-2,4-dihydro-3h-1,2,4-triazol-3-one
+c1ccnc(c1)Sc2cnc(s2)NC(=O)NCc3[nH]cc(n3)c4ccc(cc4)OCC(=O)O	TUI	2-(4-(2-((3-(5-(pyridin-2-ylthio)thiazol-2-yl)ureido)methyl)-1h-imidazol-4-yl)phenoxy)acetic acid
+C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	TUJ	1,2,3,4-tetra-o-sulfo-alpha-d-allopyranose
+CSCC[C@@H](C1N=C(C(=O)N1CC=O)Cc2c[nH]c3c2cccc3)N	TUK	2-[2-[(1~{s})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{h}-indol-3-ylmethyl)-5-oxidanylidene-2~{h}-imidazol-1-yl]ethanal
+C1=CNC(=S)NC1=O	TUL	2-thioxo-2,3-dihydropyrimidin-4(1h)-one
+CC(C)CCCCCCCCC=CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O	TUM	tunicamycin
+CCN(CC)[P@](=O)(O)OCC	TUN	ethyl hydrogen diethylamidophosphate
+c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O)(=O)N	TUO	2-(hydrazinocarbonyl)-3-phenyl-1h-indole-5-sulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)F)O)O	TUP	3-deoxy-3-fluoro-alpha-d-glucopyranose
+Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3cc(ccc3OC4CCNCC4)Cl	TUQ	4-(4-chloro-2-{5-[(trimethyl-1h-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@]2(CO)O)CO)O)O)O)O)O	TUR	3-o-alpha-d-glucopyranosyl-alpha-d-fructofuranose
+CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)CO	TUS	(4ar,4bs,5s,6as,6bs,9ar,10as,10bs)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2h-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one
+[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2cc(ccc2OC3CCNCC3)Cl	TUT	5-chloranyl-n-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
+C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C	TUV	vamorolone
+CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)C#N)(c4ccc(cc4)Cl)OCC5(CC5)CO)O	TUW	6-[[(1~{r})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@@H]([C@H]1O)CO)CC(=O)NO	TUX	1,5-anhydro-2-c-(carboxymethyl-n-hydroxyamide)-2-deoxy-3-o-myristoyl-d-glucitol
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)[C@@H]([C@H](C(=O)O)O)O)O	TUY	(3s,5s,9r,20r,21r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)
+CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)C(=O)N)O	TUZ	1-[[(1~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide
+CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C)(O)O	TV1	n-{(1s)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide
+c1ccc2c(c1)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N	TV2	5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
+CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc(c(nc2)N)Br)F	TV4	n-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide
+CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)O)O	TV5	(3~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
+CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O	TV7	(1s)-n-{(1s)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide
+CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)OC	TV8	(2~{r},3~{s},4~{r},5~{r})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
+CCC[C@@H](C(=O)O)NC[C@H]([C@H](Cc1cccs1)N)O	TVA	n-[(2r,3s)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-l-norvaline
+C[C@@H]1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C=O	TVB	4-[[(2~{r})-2-methyl-3,4-dihydro-2~{h}-quinolin-1-yl]sulfonyl]benzaldehyde
+c1ccc2cc(ccc2c1)c3cccc(c3)C(=O)O	TVC	3-naphthalen-2-ylbenzoic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C)CO)O)O	TVD	n-acetyl-2-(acetylamino)-2-deoxy-beta-d-glucopyranosylamine
+C[C@H]1[C@H]([C@@H](N=C1[C@H](C=O)[C@@H](C)O)C(=O)O)SC2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O	TVE	(2~{s},3~{r},4~{r})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{s},3~{r})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{h}-pyrrole-2-carboxylic acid
+CCCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O	TVG	propyl beta-d-galactofuranoside
+c1cc2c(c(c1)Cl)[C@@](N(C2=O)Cc3ccc(cc3)[N+](=O)[O-])(c4ccc(cc4)Cl)OCC5(CC5)CO	TVH	(3~{r})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one
+CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)CO)O	TVK	(3~{r})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
+COc1cccc(c1)CO[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O)CO)O	TVM	3-o-[(3-methoxyphenyl)methyl]-beta-d-galactopyranose
+CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC	TVN	n-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-valyl-l-aspartamide
+C[C@H]1CCc2ccccc2N1C(=O)C	TVP	(2s)-1-acetyl-2-methyl-1,2,3,4-tetrahydroquinoline
+CS(=O)CCCN=C=S	TVQ	1-isothiocyanato-3-methylsulfinyl-propane
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O)O	TVS	prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-d-glucopyranoside
+Cc1c(cn(n1)C(C)(C)C#N)Nc2ncc(c(n2)NC)C(F)(F)F	TVT	2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1h-pyrazol-1-yl)propanenitrile
+CN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3)C1=O)c4ccc(c(c4)OC)OC	TVU	n-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide
+C#CCO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O)CO)O	TVV	3-o-prop-2-yn-1-yl-beta-d-galactopyranose
+c1c2c(ncnc2n[nH]1)N	TVW	1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1ccc(cc1)[C@@H](CN)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	TVY	(1s)-2-amino-1-phenylethyl alpha-d-mannopyranoside
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N	TVZ	3-(4-aminocarbonylphenyl)benzoic acid
+Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N	TW2	4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)Cl	TW5	(r)-n-(3-(1h-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide
+C([C@@H]1[C@H]([C@@H](C([C@H](O1)F)(F)F)O)O)O	TW7	2-deoxy-2,2-difluoro-alpha-d-arabino-hexopyranosyl fluoride
+c1ccc2c(c1)NCCN2S(=O)(=O)c3ccc(cc3)C=O	TW8	4-(3,4-dihydro-2~{h}-quinoxalin-1-ylsulfonyl)benzaldehyde
+C([C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O	TWA	2,3,4-tri-o-sulfo-beta-d-altropyranose
+Cc1cc2c(cc1C)OC(=O)C=C2CP(=O)(O)O	TWB	[(6,7-dimethyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O	TWD	2,3-di-o-sulfo-alpha-l-glucopyranose
+c1cc(ccc1C=O)C(=O)N2CCC(CC2)C#N	TWE	1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S	TWG	6-thio-alpha-d-mannopyranose
+C[C@@H]1CCCN1c2c(c3c(ncnc3n2C)N)C#N	TWH	4-amino-7-methyl-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+C([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)S)O)O)O)O	TWJ	1-thio-beta-d-talopyranose
+Cn1c(c(c2c1ncnc2N)C#N)c3cccc(c3F)F	TWK	4-amino-6-(2,3-difluorophenyl)-7-methyl-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+CCOC(=O)[C@@H]1CCc2c(cn[nH]2)C1	TWL	ethyl (5r)-4,5,6,7-tetrahydro-1h-indazole-5-carboxylate
+CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO	TWM	4-({3-[(dimethylamino)methyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide
+CCCCCCCCCCCC(=O)OCC[C@H](C)[C@H]1[C@H]([C@H](CO1)C)C	TWN	(3s)-3-[(2s,3s,4r)-3,4-dimethyltetrahydrofuran-2-yl]butyl laurate
+COc1ccc(cc1OC)C(=O)O	TWO	3,4-dimethoxybenzoic acid
+c1ccc2c(c1)ccn2Cc3ccc(cc3)C(=O)NO	TWP	n-hydroxy-4-[(1h-indol-1-yl)methyl]benzamide
+CO[C@H]1CCCN(C1)c2cc(ccc2N(=O)=O)C=O	TWQ	3-[(3~{s})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde
+c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO	TWS	n-hydroxy-4-{[3-(2-hydroxyethyl)-1h-indol-1-yl]methyl}benzamide
+CCCCCCCCCCCCCCCCCCCCCC	TWT	docosane
+CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO	TWV	4-({3-[2-(dimethylamino)ethyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide
+CCOC(=O)[C@@]1(N[C@@H](CS1)C(=O)O)CS	TWW	(2~{s},4~{r})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S	TWY	4-thio-beta-d-xylopyranose
+c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)OCCc1cn(nn1)CC(=O)O	TWZ	exostwz molecular tweezer 
+c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-]	TX1	2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(NCCS)O)O	TX2	5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
+Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl	TX3	2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate
+C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O	TX4	l-threonohydroxamate 4-phosphate
+C[C@H](CC#CC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C	TX5	(1r,3r)-5-((z)-2-((1r,7as)-hexahydro-1-((s)-6-hydroxy-6-methylhept-4-yn-2-yl)-7a-methyl-1h-inden-4(7ah)-ylidene)ethylidene)cyclohexane-1,3-diol
+Cc1nc2c(c(n1)OC)CC[C@@H]3[C@@]2(CC(=C([C@H]3C)O)C#N)C	TX6	(6as,7s,10as)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
+c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Br)Br)Br)[N+](=O)[O-]	TX7	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-bromobenzoate
+C[C@H]([C@@H](C(=O)O)NC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O	TXA	threonylcarbamoyladenylate
+C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S	TXB	4-deoxy-4-thio-alpha-d-xylopyranose
+CC(C)[C@@H](C(=O)OCCOCn1cnc2c1N=C(NC2=O)N)N	TXC	2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy]ethyl l-valinate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N	TXD	1,4,5,6-tetrahydronicotinamide adenine dinucleotide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N	TXE	[[(2r,3s,4r,5r)-5-[(3r)-3-aminocarbonyl-3,4-dihydro-2h-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
+CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)\c2ccccc2)/c3ccc(cc3)O	TXF	(z)-4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hydroxy-2-phenylpent-1-enyl)phenol
+c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N3CCCC[C@@H]3C(=O)N[C@H](C(=O)N2)CCCCCC([C@@H]4CO4)(O)O)Cc5ccccc5	TXG	(3s,6s,9s,15ar)-6,9-dibenzyl-3-{6,6-dihydroxy-6-[(2s)-oxiran-2-yl]hexyl}octahydro-2h-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3h,12h)-tetrone
+CC(C)(CO)[C@H](C(=O)NCCC(=O)CCl)O	TXI	(2r)-n-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide
+CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O	TXL	taxotere
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)[C@H](C(C)C)C(=O)O	TXM	(2s)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid
+CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)CO[P@](=O)(O)O[C@H]4CN(C[C@@H]4CO[P@](=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5OC)N6CN=C7C6=NC(=NC7=O)N)CO)Cc8c[nH]c9c8ncnc9N)O[P@@](=O)(O)OCCCO	TXN	(2r,3r,4r,5r)-5-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-2-({[(s)-({(3r,4r)-4-({[(s)-{[(2r,3r,4r,5r)-5-(2-amino-6-oxo-6,8-dihydro-9h-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidin-3-yl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydrofuran-3-yl 3-hydroxypropyl hydrogen (s)-phosphate
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=C[C@@H](C5)C(=O)N)O)O)O)OP(=O)(O)O)N	TXP	1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphate
+c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O	TXQ	1,2,5,8-tetrahydroxyanthracene-9,10-dione
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CN3CCCC3)O	TXS	1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-l-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione
+C[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)N[C@H]5CC([C@@H]([C@H]([C@@H]5O)O)O)CO	TXT	4,6-dideoxy-4-{[(1s,2r,3r,4s,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-allopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranose
+CCCc1cc2c(c(n1)C)C=CC(=O)N2	TXW	5-methyl-7-propyl-1,6-naphthyridin-2(1h)-one
+C1[C@@H](C(=CC=C1C[C@@H](C(=O)O)N)O)O	TXY	3-[(5s)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-l-alanine
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O	TXZ	o-phosphono-n-(6-sulfanylhexanoyl)-l-threonine
+CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)N	TY0	(3s)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one
+CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)O)N	TY1	o-tert-butyl-l-tyrosine
+c1cc(c(cc1C[C@@H](C(=O)O)N)N)O	TY2	3-amino-l-tyrosine
+c1cc(c(cc1C[C@@H](C(=O)O)N)O)O	TY3	3-hydroxy-l-tyrosine
+Cc1cc(cc(c1OC(=O)c2ccc(cc2Cl)Cl)CNC(=O)c3ccccc3Cl)Br	TY4	4-bromo-2-({[(2-chlorophenyl)carbonyl]amino}methyl)-6-methylphenyl 2,4-dichlorobenzoate
+c1ccc(cc1)COc2ccc(cc2)C[C@@H](C(=O)O)N	TY5	o-benzyl-l-tyrosine
+c1c(c(cc(c1O)OO)OO)C[C@@H](C(=O)O)N	TY8	2,4-bis(hydroperoxy)-5-hydroxy-l-phenylalanine
+c1c(cc(c(c1O)OO)OO)C[C@@H](C(=O)O)N	TY9	3,4-bis(hydroperoxy)-5-hydroxy-l-phenylalanine
+c1cc(ccc1C[C@@H](CO[P@@](=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O	TYA	phosphoric acid 2-amino-3-(4-hydroxy-phenyl)-propyl ester adenosin-5'yl ester
+c1cc(ccc1C[C@@H](C=O)N)O	TYB	tyrosinal
+c1cc(ccc1C[C@@H](C(=O)N)N)O	TYC	l-tyrosinamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O	TYD	thymidine-5'-diphosphate
+c1cc(ccc1C[C@@H](CO)N)O	TYE	4-[(2s)-2-amino-3-hydroxypropyl]phenol
+c1cc(ccc1C[C@@H](C(=O)O)O)O	TYF	(2s)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
+Cc1cccc2c1N=C(NC2=O)CSc3ccncc3	TYG	8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3h)-one
+c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N	TYI	3,5-diiodotyrosine
+CN[C@@H](Cc1cc(c(cc1O)O)O)C(=O)O	TYJ	2,5-dihydroxy-n-methyl-l-tyrosine
+CC[C@@H]1[C@H](\C=C(\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)/C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC	TYK	tylosin
+CC(=O)Nc1ccc(cc1)O	TYL	n-(4-hydroxyphenyl)acetamide (tylenol)
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N	TYM	tryptophanyl-5'amp
+c1cc(ccc1C[C@@H](C(=O)O)N)Oc2ccc(c3c2NON3)N	TYN	aminobenzofurazan-o-tyrosine
+C([C@@H](C(=O)O)N)C(=C\C=C\OO)C=CO	TYO	(4z,6e)-2-amino-7-hydroperoxy-4-[(e)-2-hydroxyvinyl]hepta-4,6-dienoic acid
+c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O	TYP	cyclo-(l-tyrosine-l-proline) inhibitor
+c1c(c(cc(c1N)O)O)C[C@@H](C(=O)O)N	TYQ	3-amino-6-hydroxy-tyrosine
+c1cc(ccc1C[C@@H](C(=O)O)N)O	TYR	tyrosine
+c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])O	TYR_LEO2	l-tyrosine c-terminal deprotonated fragment
+c1cc(ccc1C[C@@H](C(=O)O)[NH-])O	TYR_LEO2H	l-tyrosine c-terminal protonated fragment
+c1cc(ccc1C[C@@H](C(=O)O)[NH-])[O-]	TYR_LEO2H_DHH	l-tyrosine-c-terminal protonated fragment/with side chain deprotonated oh
+c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])[O-]	TYR_LEO2_DHH	l-tyrosine-c-terminal deprotonated fragment/with side chain deprotonated oh
+c1cc(ccc1C[C@@H](C(=O)O)N)O	TYR_LFOH	l-tyrosine free neutral
+c1cc(ccc1C[C@@H](C(=O)O)N)[O-]	TYR_LFOH_DHH	l-tyrosine-free neutral/with side chain deprotonated oh
+c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])O	TYR_LFZW	l-tyrosine free zwitterion
+c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])[O-]	TYR_LFZW_DHH	l-tyrosine-free zwitterion/with side chain deprotonated oh
+c1cc(ccc1C[C@@H]([C-]=O)[NH-])O	TYR_LL	l-tyrosine - linking embedded fragment
+c1cc(ccc1C[C@@H]([C-]=O)[NH-])[O-]	TYR_LL_DHH	l-tyrosine-linking embedded fragment/with side chain deprotonated oh
+c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O	TYR_LSN3	l-tyrosine n-terminal protonated fragment
+c1cc(ccc1C[C@@H]([C-]=O)[NH3+])[O-]	TYR_LSN3_DHH	l-tyrosine-n-terminal protonated fragment/with side chain deprotonated oh
+c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O	TYS	o-sulfo-l-tyrosine
+c1ccc(cc1)C2CC2/N=C/3\CC(C(=O)C=C3O)C[C@@H](C(=O)O)N	TYT	tyrosine derivative
+C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	TYU	tetrahydrouridine
+C[C@@H]1[C@H](C[C@@H]([C@H](O1)O)O)O	TYV	alpha-d-tyvelopyranose
+c1cc(ccc1C[C@@H](C(O)O)N)O	TYW	(2s)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol
+c1ccc(cc1)NC(=O)CSC[C@@H](C(=O)O)N	TYX	s-(2-anilino-2-oxoethyl)-l-cysteine
+C1=C(C(=O)C=C(C1=N)O)C[C@@H](C(=O)O)N	TYY	3-(4-hydroxy-3-imino-6-oxo-cyclohexa-1,4-dienyl)-alanine
+CC(=O)Nc1ccc(cc1)C(=O)O	TYZ	para acetamido benzoic acid
+COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@H]4CCN(C4)C(=O)C=C)N	TZ0	1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one
+c1cc(sc1)C(=O)Nc2nnc(s2)Sc3ccnc4c3ccc(c4)Cl	TZ1	n-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide
+c1ccc2c(c1)c(c3c(n2)CCCC3)NCCN=[N+]=[N-]	TZ2	~{n}-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine
+c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N	TZ4	3,8-diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1,2,3-triazol-4-yl]hexyl]-phenanthridinium
+c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N	TZ5	3,8-diamino-6-phenyl-5-[6-[1-[2-[(1,2,3,4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1,2,3-triazol-5-yl]hexyl]-phenanthridinium
+Cc1cccc2c1N=C(NC2=O)CSC3CCC(CC3)O	TZ7	2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3h)-one
+CCCCCCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N	TZ8	(2~{r})-2-azanyl-5-[[(2~{r})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+C1=CC(C=CC1CC[C@@H](C(=O)O)N)N	TZA	trans-amiclenomycin
+C\C=C(\C1=N[C@H](CS1)C(=O)O)/N	TZB	(4s)-2-[(1e)-1-aminoprop-1-enyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+c1ncn(n1)C(=[NH2+])N	TZC	1,2,4-triazole-carboxamidine
+Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C	TZD	2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogen diphosphate
+Cc1c(scn1)CCO	TZE	2-(4-methyl-thiazol-5-yl)-ethanol
+c1cc(ccc1n2cncn2)O	TZF	4-(1h-1,2,4-triazol-1-yl)phenol
+c1c(c(cc(c1[N+](=O)[O-])Cl)C[C@@H](C(=O)O)N)CCC(=O)O	TZG	(s)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid
+Cc1ccc(c(c1)OC(=O)C2CCC2)[N+](=O)O	TZH	(5-methyl-2-nitro-phenyl) cyclobutanecarboxylate
+Cc1ccc(cc1)S(=O)(=O)N2CCOCC2	TZK	4-(4-methylphenyl)sulfonylmorpholine
+CC[C@@H](C)c1nccs1	TZL	2-(sec-butyl)thiazole
+c1cc(cc(c1)N)Cn2cncn2	TZM	3-(1h-1,2,4-triazol-1-ylmethyl)aniline
+COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)[C@H]4CCCO4	TZN	[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2r)-tetrahydrofuran-2-yl]methanone
+c1c(ncs1)C(=O)O	TZO	1,3-thiazole-4-carboxylic acid
+Cc1c(scn1)CCOP(=O)(O)O	TZP	4-methyl-5-hydroxyethylthiazole phosphate
+c1cc(c(cc1OCc2ccc(o2)C(=O)O)Cl)F	TZQ	5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid
+COC1=C(Cc2c(c(ncn2)N3CCC(CC3)CNS(=O)(=O)N)C1)OC	TZS	n-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide
+CC[C@@H](C)[C@@H]([C@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C)C(=O)NCCc2ccccc2)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C	TZT	soblidotin
+COc1ccc2c(ccnc2c1)Oc3ccc(cc3)NS(=O)(=O)N	TZV	n-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide
+c1cc(c(cc1C=O)N2CCC(CC2)O)N(=O)=O	TZW	4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde
+CC(C)c1nnc2n1cc(cc2)c3c(nco3)c4ccc(cc4)F	TZY	6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-3-isopropyl[1,2,4]triazolo[4,3-a]pyridine
+COP(=O)(OC)OC	TZZ	trimethyl phosphate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U	uridine-5'-monophosphate
+CC(C)[C@@H](c1ccc(cc1)Br)C2=C(c3ccccc3OC2=O)O	U01	3-[1-(4-bromo-phenyl)-2-methyl-propyl]-4-hydroxy-chromen-2-one
+CC[C@H](Cc1ccccc1)C2=CC(=C(C(=O)O2)[C@H](c3cccc(c3)NC(=O)CCNC(=O)OC(C)(C)C)C4C=C4)O	U02	[2-(3-{[6-(1-benzyl-propyl)-4-hydroxy-2-oxo-2h-pyran-3-yl]-cyclopropyl-methyl}-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester
+CCC(c1ccccc1)C2=C(c3ccc(cc3OC2=O)OC)O	U03	4-hydroxy-7-methoxy-3-(1-phenyl-propyl)-chromen-2-one
+CC[C@@H](c1cccc(c1)NC(=O)CNC(=O)OC(C)(C)C)C2=C(c3ccccc3OC2=O)O	U04	({3-[1-(4-hydroxy-2-oxo-2h-chromen-3-yl)-propyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester
+CCN1c2cc(ccc2N(C(=O)c3c1nccc3)C)[N+](=O)[O-]	U05	6,11-dihydro-11-ethyl-6-methyl-9-nitro-5h-pyrido[2,3-b][1,5]benzodiazepin-5-one
+CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O	U06	4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid
+c1ccc(cc1)C2=C(C(=O)C(=C([C@H]2O)O)c3ccccc3)O	U07	(2~5~s)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~h)-one
+c1cc(n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)C#N	U08	(2~{r},3~{r},4~{s},5~{r})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile
+c1ccc2c(c1)C(=O)Nc3cc(ccc3S2)C(=O)NCCc4ccc(cc4)S(=O)(=O)N	U0A	11-oxo-n-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
+Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCN(CC4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C	U0D	4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1h-imidazol-5-yl)-n-(3,5-dimethylphenyl)pyrimidin-2-amine
+CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N	U0E	n-[[1-[n-acetamidyl]-[1-cyclohexylmethyl-2-hydroxy-4-isopropyl]-but-4-yl]-carbonyl]-glutaminyl-arginyl-amide
+COc1cc(c(cc1C#N)OC)CCNCc2ccccc2O	U0G	4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile
+Cc1c(cccc1OC)C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C	U0H	~{n}-~{tert}-butyl-2-methoxy-~{n}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide
+CN1C=CN([C]1[Ru](Cl)Cl)Cc2c3ccccc3cc4c2cccc4	U0J	{(2r)-1-[(anthracen-9-yl)methyl]-3-methyl-2,3-dihydro-1h-imidazol-2-yl}(dichloro)ruthenium
+Cc1c(cnn1[C@@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N	U0K	4-amino-7-methyl-2-({5-methyl-1-[(3r)-oxolan-3-yl]-1h-pyrazol-4-yl}amino)-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1nnc(s1)CN2CCC=C(C2)F	U0M	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine
+Cc1c(cn(n1)C)Nc2nc(c3c(c(n(c3n2)C)N4CCC[C@H]4C)C#N)N	U0N	4-amino-2-[(1,3-dimethyl-1h-pyrazol-4-yl)amino]-7-methyl-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+Cc1cc(no1)CN(C)C(=O)NC2CC2	U0P	n'-cyclopropyl-n-methyl-n-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
+C[C@@H]1CCCN1c2c(c3c(nc(nc3n2C)Nc4cnn(c4)C)N)C#N	U0Q	4-amino-7-methyl-2-[(1-methyl-1h-pyrazol-4-yl)amino]-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1cnc(cn1)N2CC[C@@]3(C2)CCOC3	U0S	(5s)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
+Cc1c(cnn1[C@H]2CCOC2)Nc3nc(c4c(c(n(c4n3)C)N5CCC[C@H]5C)C#N)N	U0T	4-amino-7-methyl-2-({5-methyl-1-[(3s)-oxolan-3-yl]-1h-pyrazol-4-yl}amino)-6-[(2r)-2-methylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
+c1ccc(c(c1)C(=O)NCCc2ccncc2)F	U0V	2-fluoro-n-[2-(pyridin-4-yl)ethyl]benzamide
+c1cc2c(cc1OCc3ccc(o3)C(=O)O)CCC2	U0W	5-[(2,3-dihydro-1h-inden-5-yloxy)methyl]-2-furoic acid
+Cc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C	U0Y	1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one
+[H]/N=C/1\N2CCCc3c2c(ccc3)S1	U0Z	5,6-dihydro-2-imino-2h,4h-thiazolo(5,4,3-ij)quinoline
+[U]	U1	uranium atom
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	U10	ubiquinone-10
+C[C@@H](C(=O)NCC(=O)OC)NC(=O)[C@H]([C@@H](c1ccc(cc1)C(F)(F)F)N)O	U11	methyl n-{(2s,3r)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl}alanylglycinate
+c1cc(cc(c1)/N=N/C2=C(N=NC2=N)N)C(F)(F)F	U12	5-imino-4-(3-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine
+[H]/N=C/1\C(=C(N=N1)N)/N=N/c2ccc(cc2)F	U13	4-(4-fluoro-phenylazo)-5-imino-5h-pyrazol-3-ylamine
+[H]/N=C\1/C(=C(N=N1)N)/N=N/c2cccc(c2)C(=O)O	U14	3-(5-amino-3-imino-3h-pyrazol-4-ylazo)-benzoic acid
+Cc1ccc(cc1)[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)OC)O)N	U15	methyl n-[(2s,3r)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]-d-alanyl-d-leucinate
+CC(C)C[C@H](C(=O)OC)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](c1ccc(cc1)C(C)C)N)O	U16	methyl n-[(2s,3r)-3-amino-2-hydroxy-3-(4-isopropylphenyl)propanoyl]-d-alanyl-d-leucinate
+CCCC[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC)O)N	U17	methyl n-[(2s,3r)-3-amino-2-hydroxyheptanoyl]-l-seryl-l-leucinate
+CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O	U18	(s)-2-(5-(((1,2-dihydro-3-methyl-1-oxobenzo(f)quinazolin-9-yl)methyl)amino)1-oxo-2-isoindolinyl)glutaric acid
+[H]/N=C\1/C(=C(N=N1)N)/N=N/c2ccccc2C(F)(F)F	U19	5-imino-4-(2-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine
+Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)C	U1A	1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+c1cc(c(cc1C=O)N2CCC[C@@H](C2)O)N(=O)=O	U1B	4-nitro-3-[(3s)-3-oxidanylpiperidin-1-yl]benzaldehyde
+CC(=O)NNC(=O)c1cc2c(s1)CCCC2	U1D	n'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
+CN(C)c1cccc2c1c(ccc2)N(C)C	U1E	~{n}1,~{n}1,~{n}8,~{n}8-tetramethylnaphthalene-1,8-diamine
+CC(=O)N1CCN(CC1)C(=O)c2ccco2	U1G	1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one
+CC(C)(C)c1c(c(ns1)[O-])C[C@@H](C(=O)O)[NH3+]	U1K	(s)-2-amino-3-(3-hydroxy-5-tert-butylisothiazol-4-yl) proprionic acid
+Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)C(=O)C	U1M	1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
+C[C@H](CCc1ccc(cc1)C(=O)N)NCC(=O)c2ccc(cc2)F	U1N	4-[(3r)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}butyl]benzamide
+[H]/N=C/C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U1P	6-[(e)-iminomethyl]uridine 5'-phosphate
+c1cc(ncc1F)N	U1Q	5-fluoranylpyridin-2-amine
+CCOC(=O)C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	U1S	1-{5-deoxy-5-[4-(ethoxycarbonyl)piperidin-1-yl]-alpha-l-arabinofuranosyl}pyrimidine-2,4(1h,3h)-dione
+Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCCC4	U1T	5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2h)-one
+Cc1cc(ccc1CS(=O)(=O)N)F	U1V	1-(4-fluoro-2-methylphenyl)methanesulfonamide
+[H]/N=C\1/N2CCCc3c2c(ccc3)N1CC	U1W	3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS)O)O)O	U1Y	methyl 6-thio-beta-d-glucopyranoside
+Cn1cc(cn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C	U1Z	4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile
+CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O	U20	uridine-5'-diphosphate-3-o-(r-3-hydroxymyristoyl)-n-acetyl-d-glucosamine
+CCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O	U21	uridine-5'-diphosphate-3-o-(r-3-hydroxydecanoyl)-n-acetyl-d-glucosamine
+CCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O	U22	uridine-5'-diphosphate-3-n-(r-3-hydroxylauroyl)-n-acetyl-d-glucosamine
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O3)O	U23	uridine-5'-monophosphate-2',3'-cyclic phosphate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U25	uridine-5'-monophosphate
+c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@H](C3)Oc4nnc(s4)NC(=O)Cc5ccccc5	U27	2-phenyl-n-{5-[(3r)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
+CCC1(CCN(CC1)Cc2cccc(c2)Cl)C(=O)/C=C(/C(=O)OC)\O	U28	methyl (z)-4-(1-(3-chlorobenzyl)-4-ethylpiperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
+CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S	U2A	methyl 2-thio-beta-d-glucopyranoside
+CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	U2D	6-o-decanoyl-alpha-d-glucopyranose
+CCOc1ccc(cc1NC(=O)c2ccc(c(c2)C(=O)OC)OCCN3CCNCC3)C(=O)C	U2E	methyl 5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-2-(2-piperazin-1-ylethoxy)benzoate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O	U2F	uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-d-glucose
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N	U2G	uridylyl-2'-5'-phospho-guanosine
+CNC(=O)c1csc(n1)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C	U2J	(4s)-1-methyl-n-{(3s,5s)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide
+Cc1c(c2n(n1)CCO2)c3cn(c4c3cccc4)C(=O)C	U2K	1-[3-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone
+CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OCCOC)O	U2L	5-methyl-3'-o-methoxyethyl uridine-5'-monophosphate
+C(CC[C@@H](C(=O)O)N)CCS	U2M	(2s)-2-amino-7-sulfanylheptanoic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N	U2N	2'-amino-2'-deoxyuridine 5'-(dihydrogen phosphate)
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O	U2P	phosphoric acid mono-[2-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl] ester
+c1cc(c(nc1)SCC(=O)O)[N+](=O)[O-]	U2Q	2-[(3-nitro-2-pyridyl)thio]acetic acid
+C1COCCN1C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	U2S	1-(5-deoxy-5-morpholin-4-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+CC(C)(C)c1ccc(cc1)c2nc(on2)C(=O)NN	U2T	3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide
+c1cc(ccc1NC(=O)NCCCCC(=O)NO)S(=O)(=O)N2CCN(CC2)c3cc(cc(c3)Cl)C(F)(F)F	U2V	5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-n-hydroxypentanamide
+C1(=C(C(=NNC1=O)N(=O)=O)Cl)Cl	U2W	4,5-bis(chloranyl)-3-nitro-1~{h}-pyridazin-6-one
+c1cc(ccc1C[C@@H](C(=O)O)N)OCC2CCCCC2	U2X	o-(cyclohexylmethyl)-l-tyrosine
+B(c1ccc(cc1)C(=O)N(C)CC)(O)O	U2Y	{4-[ethyl(methyl)carbamoyl]phenyl}boronic acid
+Cc1cc(nn1c2ccccc2CN)CO	U2Z	[1-[2-(aminomethyl)phenyl]-5-methyl-pyrazol-3-yl]methanol
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCCN	U31	2'-o-3-aminopropyl 2'-deoxyuridine-5'-monophosphate
+CC(C)c1cnc(s1)Nc2ccc(cc2)S(=O)(=O)N	U32	4-[(5-isopropyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)O	U33	5-bromo-2'-deoxy uridine
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CC(O)P(=O)(O)O)O)O	U34	uridine 5'-monomethylphosphate
+CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3n[nH]nn3)[C@@H](C(C)C)C(=O)O	U35	(2~{s})-3-methyl-2-[pentanoyl-[[4-[2-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
+COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	U36	2'-o-methyoxyethyl-uridine-5'-monophosphate
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)S)O)O	U37	uridine 5'-monothiophosphate
+COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3C(F)(F)F)O	U3A	5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide
+CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	U3D	[(2r)-3-[(z)-icos-11-enoyl]oxy-2-[(z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
+CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN	U3G	(2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9z)-octadec-9-enoyl]oxy}propyl (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoate
+C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2O)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O	U3H	3'-deoxy-uridine 5'-triphosphate
+c1nc2c(n1[C@H]3[C@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O	U3J	xanthosine diphosphate
+Cc1ccc(o1)CN(C)Cc2ccccc2	U3K	~{n}-methyl-~{n}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine
+c1cc2ccc(cc2nc1)c3cc(cc(c3)C(=O)O)c4ccc5c(c4)cccn5	U3M	3-quinolin-6-yl-5-quinolin-7-yl-benzoic acid
+c1cc(ccc1NC(=[Se])Nc2ccc(cc2)S(=O)(=O)N)F	U3N	1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O	U3P	3'-uridinemonophosphate
+c1ccc2c(c1)cccc2CCCCC(=O)O	U3Q	1-naphthalenepentanoic acid
+C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	U3S	1-(5-deoxy-5-piperidin-1-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+C#CCOc1ccccc1CCCCCC(=O)O	U3T	6-(2-prop-2-ynoxyphenyl)hexanoic acid
+CC(C)(C)c1cc(n(n1)C)C(=O)N2CCC(CC2)C[C@@H](C(=O)NC)NC(=O)[C@@H]3CCCC(=O)N3	U3V	(2s)-n-[(2s)-3-[1-(3-tert-butyl-1-methyl-1h-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
+CN1C(=O)N(C(=O)S1)Cc2ccccc2	U3W	2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione
+c1cc(ccc1C[C@@H](C(=O)O)N)NCC2CCCCC2	U3X	4-[(cyclohexylmethyl)amino]-l-phenylalanine
+CNC(=O)c1csc(n1)[C@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C	U3Y	(4s)-1-methyl-n-{(3s,5r)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide
+CC(C)(c1ccc2c(c1)C(=O)N([C@]2(c3ccc(cc3)Cl)OCC4(CC4)CO)Cc5ccc(cc5)C#C)O	U3Z	(3~{r})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
+C[C@H](C(=O)Nc1ccc(cc1)F)C23CC(C2)(C3)NC(=O)c4cccc(c4)Cl	U41	3-chloro-n-(3-{(2s)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide
+CC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O	U44	(2r)-2-hydroxy-3,3-dimethyl-n-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
+CCCCC[C@H](\C=C\[C@H]1[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(=O)O)CO2)O	U46	(5e)-7-{6-[(1e)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid
+CC1=CN(C(=O)[NH+]=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	U48	5-methyl-2'-deoxy-n3-protonated cytidine-5'-monophosphate
+c1cc2ccc3cc2c(c1)N4CCC(C4=O)NCc5cncn5Cc6ccc(c(c6)O3)C#N	U49	(20s)-19,20,21,22-tetrahydro-19-oxo-5h-18,20-ethano-12,14-etheno-6,10-metheno-18h-benz[d]imidazo[4,3-k][1,6,9,12]oxatri aza-cyclooctadecosine-9-carbonitrile
+c1cnc(c(c1C(=O)O)F)C(=O)O	U4B	3-fluoranylpyridine-2,4-dicarboxylic acid
+[H]/N=C(\N)/NCCCCCCCC	U4G	n-octylguanidine
+COc1ccc(cc1)c2cccc(c2)C(=O)O	U4J	3-(4-methoxyphenyl)benzoic acid
+c1ccc2c(c1)ccnc2SCC(=O)O	U4K	2-isoquinolin-1-ylsulfanylethanoic acid
+C[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O	U4M	1-{2,5-dideoxy-2-fluoro-4-[(phosphonooxy)methyl]-alpha-l-lyxofuranosyl}pyrimidine-2,4(1h,3h)-dione
+c1ccc2c(c1)c(ccc2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)NS(=O)(=O)CC(F)(F)F	U4N	2,2,2-tris(fluoranyl)-~{n}-[4-[3-[2-[[(3~{s})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide
+C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O	U4P	5'-deoxyuridine
+c1c(c(cnc1C(=O)O)F)C(=O)O	U4Q	5-fluoranylpyridine-2,4-dicarboxylic acid
+C1CCN(C1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	U4S	1-(5-deoxy-5-pyrrolidin-1-yl-alpha-l-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+c1ccc-2c(c1)CCc3c2sc(c3)C(=O)O	U4T	4h,5h-naphtho[1,2-b]thiophene-2-carboxylic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNc4ccc(cc4)S(=O)(=O)N	U4V	3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1h-1,2,3-triazol-1-yl)thymidine
+CN1CCN(CC1)c2ccc(c(c2)NC3CCC(CC3)O)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	U4W	n-[5-(3,5-difluorobenzyl)-1h-indazol-3-yl]-2-[(4-hydroxycyclohexyl)amino]-4-(4-methylpiperazin-1-yl) benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)NC(=O)/C=C/C4C=CC(C=C4)O)O)O)N	U4Y	(2s)-4-({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2e)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid
+CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2	U51	(5z)-7-{(1r,4s,5r,6r)-6-[(1e)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid
+C[C@@H]1C[C@@H](CN(C1)c2ncc(c(n2)Nc3ccc4c(c3)C=C(C(=O)N4C)OCC(=O)NC)Cl)C	U52	2-[6-[[5-chloranyl-2-[(3~{s},5~{r})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{n}-methyl-ethanamide
+CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OC	U53	ethyl 4-(2-cyanoethylsulfanyl)-6-methoxy-quinoline-3-carboxylate
+c1cc(ccc1Nc2cc(ncn2)N)S(=O)(=O)N	U55	4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide
+CCCC[C@](C)(CO)Nc1c2c(cc(cn2)F)nc(n1)N	U57	(2r)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
+c1ccc2c(c1)c(ncn2)SCCC(=O)O	U58	3-(quinazolin-4-ylsulfanyl)propanoic acid
+[H]/N=C\1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)CCC3)COC(=O)N	U5A	[(2z,3as,4r,6z,10ar)-2,6-diiminooctahydro-1h,8h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
+c1cc2c3c(ccc(c3c1)SCC(=O)O)CC2	U5B	2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanoic acid
+CNC(=O)c1cc2c(s1)-c3ccccc3CC2	U5E	n-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	U5F	5'-o-[(r)-hydroxy{[(s)-hydroxy{[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC3CCC3)[C@H](C(=O)N)O)C	U5G	boceprevir (bound form)
+CN1[C@@H](CCC1=O)c2cccnc2	U5H	(5~{s})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
+CO[C@H](CNC(=O)c1ccccc1OCC(=O)O)C[Hg]O	U5J	[(2r)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury
+C[C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)OP(=O)(O)O	U5M	1-(2,6-dideoxy-2-fluoro-5-o-phosphono-alpha-l-talofuranosyl)pyrimidine-2,4(1h,3h)-dione
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U5P	uridine-5'-monophosphate
+C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)OP(=O)(O)O	U5R	1-(2,6-dideoxy-2-fluoro-5-o-phosphono-beta-d-allofuranosyl)pyrimidine-2,4(1h,3h)-dione
+Cc1ccc(cc1C)C2=N/C(=C/c3cnn(c3)C)/C(=O)O2	U5T	(4~{e})-2-(3,4-dimethylphenyl)-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
+c1ccc(c(c1)CN)F	U5V	1-(2-fluorophenyl)methanamine
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC=C2C4(CC4)CCCC(C)(C)O	U5W	1,25-dihydroxy-16-ene-20-cyclopropyl-vitamin d3
+c1ccc(cc1)[C@H]2CCCN2C(=O)C[C@H]3C(=O)N[C@@H](Cc4ccc(cc4)Oc5cccc(c5)CCC(=O)N3)C(=O)NCc6ccccc6F	U5Y	(12s,15s)-n-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2r)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide
+c1cc(ccc1NNC(=S)N)F	U5Z	1-[(4-fluorophenyl)amino]thiourea
+c1ccc(cc1)c2cn(nn2)[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)Cn4cc(nn4)c5ccc(cc5)F)O	U61	2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1h-1,2,3-triazol-1-yl]-4-(4-phenyl-1h-1,2,3-triazol-1-yl)-d-glycero-l-manno-heptitol
+c1ccc2c(c1)-c3c(cc(s3)C(=O)O)CO2	U62	4~{h}-thieno[3,2-c]chromene-2-carboxylic acid
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O	U63	2-deoxy-2-fluoro-4-o-beta-d-glucopyranosyl-beta-d-glucopyranose
+C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)C(=O)N3CCOCC3)c4cc(ccc4F)/C=C(/c5ccc(cn5)C#N)\F	U64	6-[(z)-2-{3-[(1s,5s,6s)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile
+COC(=O)c1cc2c(s1)-c3ccccc3OC2	U65	methyl 3~{a},4-dihydro-3~{h}-thieno[3,2-c]chromene-2-carboxylate
+c1cc2ccc3cc2c(c1)N4CC[C@@H](C4=O)NCCc5cncn5CC6=CCC(C(C6)O3)C#N	U66	(20s)-19,20,22,23-tetrahydro-19-oxo-5h,21h-18,20-ethano-12,14-etheno-6,10-methenobenz[d]imidazo[4,3-l][1,6,9,13]oxatria zacyclonoadecosine-9-carbonitrile
+CC(C)CCCN	U67	4-methylpentan-1-amine
+CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)N(O)O	U68	(4-nitrophenyl) (2~{s})-2-(6-methoxynaphthalen-2-yl)propanoate
+C[C@H]([C@@H](C(=O)O)NC(=O)O)O	U6A	n-carboxy-l-threonine
+[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)C3(CCOCC3)N	U6B	4-azanyl-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]oxane-4-carboxamide
+C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)OCCN5CC(C5)CF)F	U6D	(1r,3r)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1h-beta-carboline
+Cc1csc(n1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)Cl	U6E	4-(6-azanyl-2-chloranyl-purin-9-yl)-~{n}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
+c1cc(cc(c1)Cl)C(=O)N2CCCc3c2ccc(c3)CNC(=O)c4ccc(cc4)Cl	U6G	4-chloro-n-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide
+COc1cccc(c1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)c5ccncc5	U6H	4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{n}-(3-methoxyphenyl)cyclohexane-1-carboxamide
+[C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	U6J	(1r,2r,3s,4r,5r,6s)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+c1cc2ccc(cc2nc1)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=C[C@@H]5[C@H]4NC=NC5N)O)O	U6K	(2~{r},3~{r},4~{s},5~{r})-2-[(4~{a}~{s},7~{a}~{s})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol
+CC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U6M	6-methyluridine 5'-(dihydrogen phosphate)
+CCc1c(c2c(ncnc2n1CC#CC)N[C@H](Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl	U6N	(2~{r})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
+CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc(c4C)Cl	U6Q	(2~{r})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
+c1cc(ccc1NC(=O)C2CCC(CC2)n3cnc4c3ncnc4N)S(=O)(=O)C(F)(F)F	U6T	4-(6-aminopurin-9-yl)-~{n}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide
+c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc(cc3)F	U6V	n~2~-(3-aminopropyl)-n-[(4-fluorophenyl)methyl]-n~2~-(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide
+c1cc(oc1/C=N/N2CC(=O)NC2=O)N(=O)=O	U6Z	1-[(~{e})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
+[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	U71	(1s,2r,3s,4s,5s,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+[H]/N=C/1\N(Cc2cccc3c2N1CCC3)C	U72	2-methyl-1,2,6,7-tetrahydro-3h,5h-pyrido[3,2,1-ij]quinazolin-3-imine
+CC(C)C1=CN/C(=N/C(=O)Cc2cccnc2)/S1	U73	n-(5-isopropyl-thiazol-2-yl)-2-pyridin-3-yl-acetamide
+CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3ccc(cc3)C(=O)O	U75	4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid
+c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3	U77	n-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-n-(2-phenylethyl)-beta-alanine
+Cc1ccccc1CCNC(=O)C	U78	~{n}-[2-(2-methylphenyl)ethyl]ethanamide
+c1ccc(cc1)CCN(CCC#N)CC(=O)N(CCc2ccccc2)CCc3ccc(cc3)S(=O)(=O)N	U7A	n~2~-(2-cyanoethyl)-n,n~2~-bis(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide
+C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)O)O)(F)F	U7B	2'-deoxy-2'2'-difluorodeoxycytidine
+c1cc(cc(c1)S(=O)(=O)N)c2[nH]nnn2	U7E	5-(3-sulfamoylphenyl)-1h-1,2,3,4-tetrazol-1-ide
+c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3	U7G	n~2~-(3-aminopropyl)-n-[(furan-2-yl)methyl]-n~2~-(2-phenylethyl)-n-[2-(4-sulfamoylphenyl)ethyl]glycinamide
+Cc1c(cn(n1)C[C@@](C)(C(=O)N2CCN(CC2)c3cccc4c3ccnc4)O)c5ccccc5	U7H	2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-1h-pyrazol-1-yl)propan-1-one
+c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc4ccccc4c3	U7J	n-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-n-(2-phenylethyl)-beta-alanine
+C[C@](C/N=C/1\N2CCCc3c2c(ccc3)S1)(C(=O)N4CCN(CC4)c5cccc6c5ccnc6)O	U7K	(e)-3-((5,6-dihydro-2h,4h-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C	U7P	(8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one
+c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F	U7Q	~{n}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
+Cc1c(sc(c1Br)C(=C)F)CNCCCNC2=CC(=O)c3ccccc3N2	U7S	2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1h)-one
+c1cn2cnc3c(c2n1)NC(=O)N3[C@H]4C[C@@H]([C@H](O4)COP(O)O)O	U7T	[(2~{r},3~{s},5~{r})-3-oxidanyl-5-(2-oxidanylidene-1~{h}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite
+Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO	U7V	tedizolid
+C[C@H]1c2ccsc2CCN1C(=O)Cn3c4ccccc4nn3	U7W	2-(benzotriazol-1-yl)-1-[(4~{s})-4-methyl-6,7-dihydro-4~{h}-thieno[3,2-c]pyridin-5-yl]ethanone
+Cn1c(nnn1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)CO	U7Y	tedizolid isomer
+c1ccc(c(c1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)Cl	U7Z	4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide
+c1csc2c1NC(=CC2=O)NCCCN[C@@H]3CCOc4c3cc(cc4Br)Br	U81	5-[(3-{[(4r)-6,8-dibromo-3,4-dihydro-2h-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(6h)-one
+CC(C)(C)c1ccc(cc1)c2coc3c2nc(cc3)c4c[nH]nc4	U82	3-(4-tert-butylphenyl)-5-(1h-pyrazol-4-yl)furo[3,2-b]pyridine
+CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccc(cc3)Cn4cnc(c-5ncnc45)N	U85	1-((4'-((6-amino-3h-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium
+c1cc(c(c2c1[C@H](CNC2)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Cl)Cl	U87	5'-([(3s)-3-amino-3-carboxypropyl]{3-[(4r)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine
+c1c(scn1)N(=O)=O	U88	5-nitro-1,3-thiazole
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CCCC2=C(N=C(NC2=O)N)N)C(=O)CSCC(=O)NCCCCOP(=O)(O)O	U89	n-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)-propyl]-[2-((2-oxo-2-((4-phosphoriboxy)-butyl)-amino)-ethyl)-thio-acetyl]-amino]benzoyl]-1-glutamic acid
+c1ccc(cc1)C[C@]2(C(=O)N[C@](C(=O)N2)(CO)S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	U8B	(2~{s})-2-azanyl-5-[[(2~{r})-3-[(2~{r},5~{r})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+CCc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N	U8D	(3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1h-indol-5-yl]oxy}propyl)phosphonic acid
+CC(C)(C)OC(=O)NC(CC1=C[N](=C(N1C)[Rh])C)C(=O)OC	U8G	(4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1h-imidazol-2-yl)rhodium
+CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C(=O)NC	U8J	n-methyl-4-{[4-(1-propyl-1h-pyrazol-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide
+c1ccc(cc1)S(=O)(=O)Nc2cccnc2C(=O)O	U8K	3-(phenylsulfonylamino)pyridine-2-carboxylic acid
+c1cc(c(c(c1)F)F)N=Nc2ccc(nc2N)N	U8M	3-[(z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine
+c1ccc2c(c1)C(=CNC2=O)O	U8N	4-oxidanyl-2~{h}-isoquinolin-1-one
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C(=O)OC(C)(C)C	U8P	tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1h-pyrazol-4-yl}-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate
+c1cc(ccc1C(F)(F)F)OC2CCNCC2	U8Q	4-[4-(trifluoromethyl)phenoxy]piperidine
+c1cc2c(cc1Br)C(=O)CC3(O2)CCNCC3	U8T	6-bromanylspiro[3~{h}-chromene-2,4'-piperidine]-4-one
+CNCC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	U8U	5-methylaminomethyl-2-thiouridine-5'-monophosphate
+CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	U8V	6-o-butanoyl-alpha-d-glucopyranose
+C([C@H]([C@H]([C@@H](C(COP(=O)(O)O)O)O)O)O)S(=O)(=O)O	U8W	(2~{s},3~{s},4~{r})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid
+C(/C(=C\OP(=O)(O)O)/O)O	U8Z	[(~{e})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate
+Cc1c(c(nn1C)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F	U91	1,5-dimethyl-3-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide
+COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)[C@@H]([C@H](C(=O)O)O)O	U94	4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-l-arabinonic acid
+c1cc(c(c(c1)Cl)c2c(c(on2)c3ccc[nH]3)COc4ccc(cc4)C(=O)O)C(F)(F)F	U95	4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
+[C@H]1([C@@H]([C@@H](O[C@@H]([C@H]1OS(=O)(=O)O)O)C(=O)O)O)O	U97	2-o-sulfo-beta-l-galactopyranuronic acid
+c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F	U98	2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide
+[C@H]1([C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O)NS(=O)(=O)O	U9A	[(2r,3r,4r,5r,6r)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2h-pyran-3-yl]sulfamic acid
+c1ccc(cc1)C[N@@H+]2CCP(=O)([C@](C2)(CCCC[NH3+])C(=O)O)O	U9B	(1r,3s)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide
+COC[C@@H]1C[C@@H]([C@H](C(O1)O)OC)OC	U9D	4-deoxy-2,3,6-tri-o-methyl-alpha-d-xylo-hexopyranose
+CCc1c(c([nH]c1c2cccc3c2cc[nH]3)C(=O)O)c4ccccc4Cl	U9E	3-(2-chlorophenyl)-4-ethyl-5-(1~{h}-indol-4-yl)-1~{h}-pyrrole-2-carboxylic acid
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)O)O	U9G	2,3-di-o-methyl-6-o-sulfo-alpha-d-glucopyranose
+c1c(cncc1F)N2C(=O)C3(CC(C3)C4CCC4)NC2=O	U9H	2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
+CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(O)O)O	U9J	(2r,3r,4s,5s,6r)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2h-pyran-2,5-diol
+Cn1cncc1c2cc(ccc2C[N@@H+]3CCP(=O)([C@](C3)(CCCC[NH3+])C(=O)O)O)F	U9K	(1r,3s)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1h-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide
+CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)O)C(O)O)O	U9M	(2r,3r,4s,5s,6s)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2h-pyran-2,5-diol
+CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC	U9N	[(2~{s})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate
+[C@@H]1([C@H](O1)C(=O)O)C(=O)O	U9S	(2r,3s)-oxirane-2,3-dicarboxylic acid
+CC1CCN(CC1)C(=O)NCCc2ccccc2F	U9T	~{n}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
+CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCC	U9V	pentadecyl(tetradecyl)peroxyanhydride
+CC1CCN(CC1)C(=O)Nc2ccc(cc2)Cl	U9W	~{n}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
+CC1(CCN(CC1)c2cnc3c(n[nH]c3n2)c4cccc(c4Cl)Cl)N	U9Y	1-[3-(2,3-dichlorophenyl)-1h-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
+CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F	U9Z	4-methyl-~{n}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)NS(=O)(=O)O)C(=O)NC	UA1	n-(tert-butoxycarbonyl)-l-tyrosyl-n-methyl-4-(sulfoamino)-l-phenylalaninamide
+c1c(c2c([nH]1)c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O	UA2	3,4-pyrrolidinediol,2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-2s,3s,4r,5r
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H](C(O2)CO)OP(=O)(O)O)O	UA3	uracil arabinose-3'-phosphate
+CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)[C@](O3)(C)c4cc(cc(c4)F)F)CCCOC	UA4	(2s)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2h-1,4-benzoxazin-3(4h)-one
+CCc1ccc(cc1)NS(=O)(=O)O	UA5	(4-ethylphenyl)sulfamic acid
+c1ccc2c(c1)C[C@H](C[C@H]2C3=C(c4ccccc4OC3=O)O)c5ccc(cc5)c6ccc(cc6)Br	UA7	brodifacoum
+CC1CCN(CC1)C(=O)NC2CCCCCC2	UA8	~{n}-cycloheptyl-4-methyl-piperidine-1-carboxamide
+C1=C(NC(=O)NC1=O)CC(=O)O	UAA	uracil-6-acetic acid
+CC1CCN(CC1)C(=O)NCCCCc2ccccc2	UAB	4-methyl-~{n}-(4-phenylbutyl)piperidine-1-carboxamide
+C1[C@@H]([C@@H]([C@H]([C@@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O	UAD	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2s,3r,4s,5s)-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl dihydrogen diphosphate
+CC1CCN(CC1)C(=O)NC2CCCCC2	UAE	~{n}-cyclohexyl-4-methyl-piperidine-1-carboxamide
+C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	UAG	uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine-d-glutamate
+Cc1c(cc(cn1)COP(=O)(O)O)O	UAH	(5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+c1ccc(cc1)[C@H](c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O	UAJ	chlorophacinone
+CC1CCN(CC1)C(=O)N[C@H](C)c2ccccc2	UAK	4-methyl-~{n}-[(1~{r})-1-phenylethyl]piperidine-1-carboxamide
+C(=C(/C(=O)O)\N)\NC(=O)N	UAL	(2z)-2-amino-3-(carbamoylamino)prop-2-enoic acid
+CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C(=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N)N)O)O	UAM	amicoumacin a
+CNC1=Nc2c(ncn2C)C(=O)N1	UAN	9-methyl-2-(methylamino)-1h-purin-6-one
+C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)C(=O)O	UAP	4-deoxy-2-o-sulfo-alpha-l-threo-hex-4-enopyranuronic acid
+CC1CCN(CC1)C(=O)NCc2ccco2	UAQ	~{n}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	UAR	uracil arabinose-5'-phosphate
+c1ccc(cc1)C2C(=O)c3ccccc3C2=O	UAS	phenindione
+CC1CCN(CC1)C(=O)NCc2ccccc2	UAT	4-methyl-~{n}-(phenylmethyl)piperidine-1-carboxamide
+C[C@H]1C(=O)c2ccccc2C(=O)[C@]1(C/C=C(\C)/CCC[C@@H](C)CCCC(C)CCCC(C)C)O	UAV	(2r,3r)-2-hydroxy-3-methyl-2-[(2e,7s)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione
+CC1CCN(CC1)C(=O)Nc2ccc(cc2)O	UAW	~{n}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide
+[H]/N=C\1/c2c(cc(s2)c3ccccc3)C(=O)NC1=O	UAY	7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5h,7h)-dione
+CC1CCN(CC1)C(=O)Nc2ccc(cc2)OC	UAZ	~{n}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide
+CC1=CN(C(=O)N(C1=O)Cc2c(c(sc2C(=O)O)Br)Br)C[C@@H](C(=O)O)N	UB1	3-({3-[(2s)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)-4,5-dibromothiophene-2-carboxylic acid
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C)N[P@](=O)(CNC(=O)OCc1ccccc1)O	UB2	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-alanyl-l-leucine
+CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N[P@](=O)(CNC(=O)OCc1ccccc1)O	UB3	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-valyl-l-leucine
+c1ccc2c(c1)nc(s2)CC[C@@H](C(=O)O)N	UB4	(2s)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid
+CCCCCNC(=O)N1CCC(CC1)C	UB5	4-methyl-~{n}-pentyl-piperidine-1-carboxamide
+c1cc(ccc1C(=O)O)C(=O)O	UB7	terephthalic acid
+CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)C[C@@H](C(=O)O)N	UBA	(s)-1-(2-amino-2-carboxyethyl)-3(2-carboxythiophene-3-yl-methyl)-5-methylpyrimidine-2,4-dione
+C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=O)NC2=O	UBB	2',3'-dideoxy-uridine-5'-monophosphate
+c1ccc(c(c1)CN2C(=O)C=CN(C2=O)C[C@@H](C(=O)O)N)C(=O)O	UBC	(s)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)pyrimidine-2,4-dione
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)O	UBD	uridine 3',5'-bis(dihydrogen phosphate)
+CC1=CN(C(=O)N(C1=O)Cc2cc(sc2C(=O)O)c3ccccc3)C[C@@H](C(=O)O)N	UBE	3-({3-[(2s)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)-5-phenylthiophene-2-carboxylic acid
+c1csc(c1CN2C(=O)C(=CN(C2=O)C[C@@H](C(=O)O)N)Br)C(=O)O	UBF	3-({3-[(2s)-2-amino-2-carboxyethyl]-5-bromo-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)thiophene-2-carboxylic acid
+Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O)O	UBG	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
+CC(C)CNC(=O)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	UBI	2'-deoxy-5-[(2-methylpropyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
+C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O	UBM	coenzyme f420-4
+CCCCCCCCNC(=O)N1CCC(CC1)C	UBN	4-methyl-~{n}-[(~{e})-oct-5-enyl]piperidine-1-carboxamide
+C1=CN(C(=O)N(C1=O)CCC(=O)O)C[C@@H](C(=O)O)N	UBP	3-[3-(2-carboxyethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl]-l-alanine
+CCCCCCCCCCCNC(=O)[N+]1CCC(CC1)C	UBQ	4-methyl-~{n}-undecyl-pyridine-1-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O	UBR	5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate)
+CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	UBS	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-valine
+CC(C)C[C@@H](C(=O)NCC(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O	UBT	n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucylglycine
+CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBU	n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-ethyl-l-leucinamide
+CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBV	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-isoleucine
+CCC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBW	n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-norvaline
+CC(C)C[C@@H](C(=O)NC)NP(=O)(CNC(=O)OCc1ccccc1)O	UBX	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-n-methyl-l-leucinamide
+C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBY	n-[(s)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-alanine
+CC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O	UBZ	(2s)-2-({n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl}amino)butanoic acid
+Cc1c(cco1)C(=S)Nc2ccc(c(c2)OCC=C(C)C)Cl	UC1	2-methyl-furan-3-carbothioic acid [4-chloro-3-(3-methyl-but-2-enyloxy)-phenyl]-amide
+Cc1c(cco1)C(=S)Nc2ccc(c(c2)\C=N\OC(C)(C)C)Cl	UC2	n-[4-cloro-3-(t-butyloxome)phenyl-2-methyl-3-furan-carbothiamide
+CC(C)OC(=O)c1cc(ccc1Cl)NC(=S)OC(C)C	UC3	1-methyl ethyl 2-chloro-5-[[[(1-methylethoxy)thiooxo]methyl]amino]-benzoate
+CC1=C(SCCO1)C(=O)Nc2ccc(c(c2)C(=O)OC(C)C)Cl	UC4	1-methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(CP(=O)(O)O)O)O	UC5	2'-deoxy-5'-o-[(s)-hydroxy(phosphonomethyl)phosphoryl]uridine
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)C(=O)NC)c6ccccc6	UC8	~{n}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{h}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
+CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)C(=O)O	UC9	4-{6-[(2s)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2h-1,3-benzodioxol-4-yl}benzoic acid
+C[C@]12CCC(=O)[C@H]([C@@H]1CCC2=O)CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O	UCA	s-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3as,4s,7as)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate
+CC[N+]1(CCC(CC1)NC(=O)C2c3cc(ccc3Oc4c2cc(cc4)Cl)Cl)CC5CCCCCC5	UCB	1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9h-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium
+CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	UCC	s-{(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} undecanethioate
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)O)O	UCD	(4s,5r,6r)-6-((2r,3r,4r,5r,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2h-pyran-4-yloxy)-4,5-dihydroxy-5  ,6-dihydro-4h-pyran-2-carboxylic acid
+CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)CO)c6ccccc6	UCE	~{n}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{h}-benzimidazol-5-yl]propanamide
+c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N	UCG	3'-o-[(r)-{[(2r,3ar,4r,6r,6ar)-6-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate)
+CC(C)OP(=O)(C)O	UCJ	propan-2-yl hydrogen (s)-methylphosphonate
+c1ccc(c(c1)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)Cl)O)Cl	UCK	(2s,4r)-1-(2-chlorophenyl)carbonyl-n-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)COP(=O)(O)O)O	UCL	5-chloro-2'-deoxyuridine 5'-(dihydrogen phosphate)
+c1ccc2c(c1)c3c4c(c5c6ccccc6n7c5c3n2[C@H]8CC[C@@H]7O8)C(=O)NC4=O	UCM	rel-(9r,12s)-9,10,11,12-tetrahydro-9,12-epoxy-1h-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-1,3(2h)-dione
+C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N[C@@H]8O)NC)OC	UCN	7-hydroxystaurosporine
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O	UCP	phosphomethyl phosphonic acid deoxyuridylate ester
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=C)(=O)O)NC(=O)OCc2ccccc2	UCS	n~2~-[(benzyloxy)carbonyl]-n-[(1r,2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]-1-(trimethyl-lambda~4~-sulfanyl)propan-2-yl]-l-leucinamide
+CC(C)[C@@H](CNC(=O)N)N	UCV	1-[(2~{s})-2-azanyl-3-methyl-butyl]urea
+CC(C)(C)OC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(C)C)N	UCW	tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate
+CC1(CCC[C@@H]1O[P@H](=O)C)C	UCY	(1s)-2,2-dimethylcyclopentyl (r)-methylphosphinate
+CC(C)(C)[C@@H](/C(=C\c1ccc(cc1)Cl)/n2cncn2)O	UCZ	(1e,3s)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1h-1,2,4-triazol-1-yl)pent-1-en-3-ol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)C(=O)O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]3[C@@H]([C@@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O	UD0	(2s,3s,4r,5r,6r)-5-(acetylamino)-6-{[(s)-{[(s)-{[(2s,3r,4s,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2h-pyran-2-carboxylic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	UD1	uridine-diphosphate-n-acetylglucosamine
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	UD2	uridine-diphosphate-n-acetylgalactosamine
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N	UD4	udp-2-acetamido-4-amino-2,4,6-trideoxy-alpha-d-glucopyranose
+C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(O)O)O)O)F	UD5	5-fluorouridine
+CC(=O)C[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	UD6	[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3r,4r,5r,6r)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate
+C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O	UD7	[(2r,3r,4r,6r)-3-acetamido-6-methyl-4-oxidanyl-5-oxidanylidene-oxan-2-yl] [[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CC1(O[C@H]2CN(C[C@H]([C@@H]2O1)O)CCCCCCn3cc(nn3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C	UD8	n-((1-(6-((3ar,7r,7as)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4h)-yl)hexyl)-1h-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide
+CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	UD9	(2r,3s,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O[C@](C)(C(=O)O)OP(=O)(O)O	UDA	3'-1-carboxy-1-phosphonooxy-ethoxy-uridine-diphosphate-n-acetylglucosamine
+CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2cc(cc(c2)F)F	UDB	(s)-n-(cyclopentylmethyl)-2-(3-(3,5-difluorophenyl)ureido)-n-(2-(hydroxyamino)-2-oxoethyl)-3,3-dimethylbutanamide
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O[C@@](C)([C@H](CO)O)C(=O)O	UDC	2-acetamido-3-o-[(2s,3s)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-d-glucopyranose
+c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F	UDD	n-[4-(trifluoromethyl)phenyl]-n-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNC(=O)Nc4cccc(c4)S(=O)(=O)N	UDE	3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-3-yl)-1h-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide
+CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	UDG	(2r,3r,4r,5s,6r)-2-{[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3r)-3-hydroxytetradecanoyl]amino}tetrahydro-2h-pyran-4-yl (3r)-3-hydroxytetradecanoate 
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O	UDH	6-aminohexyl-uridine-c1,5'-diphosphate
+C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C	UDJ	(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one
+CC1CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O	UDK	(r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide
+CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	UDM	uridine-diphosphate-methylene-n-acetyl-glucosamine
+CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	UDN	uridine-diphosphate-methylene-n-acetyl-galactosamine
+c1cc(cnc1)[C@H](c2ccc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)(F)F	UDO	(s)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O	UDP	uridine-5'-diphosphate
+CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(cc3)CN4CCCCC4)O	UDQ	n-[[(3r)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
+Cc1cc(cc2c1OC(=O)N2C)/C(=C/CCCc3nnc(o3)C)/c4cc(c(c(c4)C(=O)SC)OC)C	UDR	(e)-s-methyl 5-(1-(3,7-dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate
+c1ccc2c(c1)cc(c(n2)C(=O)N[C@H](CO)C(=O)O)O	UDS	n-[(3-hydroxyquinolin-2-yl)carbonyl]-d-serine
+CCCCCCCCCCOC(=O)S	UDT	o-decyl hydrogen thiocarbonate
+Cc1nnc2n1-c3ccc(cc3C(=NC24CC4)c5ccc(cc5)Cl)c6cnn(c6)C	UDV	6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1h-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine]
+c1cc(cc(c1)S(=O)(=O)N)CNc2cc(ncn2)N3CCC[C@H](C3)CO	UDW	(s)-3-(((6-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)methyl)benzenesulfonamide
+C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O	UDX	uridine-5'-diphosphate-xylopyranose
+c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F	UDY	6-fluoranyl-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CN=[N+]=N)O)O	UDZ	[(2r,3s,4r,5r,6r)-5-acetamido-6-[[[(2r,3s,4r,5r)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylimino-azanylidene-azanium
+CC(C)(C(=O)[O-])O/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CNC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)c3cc(c(cn3)O)O)C[C@H](CO)O)C=O	UE1	(4s,7z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2r)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1h-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate
+CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C	UE2	(r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide
+CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C	UE5	(r)-n-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide
+c1[nH]c2c(n1)C(=O)NC(=S)N2C[C@H]3CCCO3	UE8	2-sulfanylidene-3-[(2r)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6h-purin-6-one
+C([C@@H]1[C@@H]([C@H]([C@](O1)(CO)O)O)O)O	UEA	beta-d-sorbofuranose
+c1ccc(cc1)[C@H](c2ccccc2CN3c4cc[nH]c4C(=O)NC3=S)N	UEB	(s)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2	UED	n~2~-[(benzyloxy)carbonyl]-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)CCC6)O	UEE	(r)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-n-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide
+Cc1c(c(c(cn1)CO)CO)O	UEG	4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol
+CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C	UEH	(r)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-n-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide
+CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4c(ccc(c4CN5C(=O)c6ccccc6C5=O)O)F	UEJ	n-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1h-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide
+c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)N)Cl	UEK	n-{5-[(3s,4r)-1-[(3r)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide
+c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F	UEN	n4-cyclohexyl-5-(4-fluorophenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+CCC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	UEP	6-ethyluridine 5'-phosphate
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6([C@H]5C7CC7)CCC6)O	UEQ	4-[[(3r)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3r)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+c1ccc(cc1)C[C@H](C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N)NS(=O)(=O)Cc3ccccc3	UET	n-(benzylsulfonyl)-d-phenylalanyl-n-(4-carbamimidoylbenzyl)glycinamide
+[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	UEV	(1s,2r,3s,4s,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(cc3)C(=O)NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O	UEW	n-(((r)-1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-(((s)-1-isopropyl-2-azaspiro[3.3]heptan-2-yl)methyl)benzamide
+c1ccc(cc1)C[C@H](c2ccccc2)c3cc(nc4c3nn[nH]4)N	UEY	7-[(1r)-1,2-diphenylethyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+CC1(CCN(CC1)Cc2ccc3c(c2)cccc3NC[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C	UEZ	(r)-1-(6-(benzylamino)pyrimidin-4-yl)-3-(((6-((4,4-dimethylpiperidin-1-yl)methyl)naphthalen-1-yl)amino)methyl)piperidin-3-ol
+CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCNC(=O)CO)O	UF0	o-[(r)-hydroxy{[(3r)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-l-serine
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	UF2	1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+CC(C)(C#Cc1cc2c(nc1)n(cn2)Cc3ccc4c(c3)OC[C@@H](O4)c5ccc(nc5)OC)N	UF4	4-(3-{[(2s)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3h-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine
+c1ccc(cc1)[C@@H]2C[C@@H](c3c2cccc3)NCC[C@H](c4ccccc4)c5cc(nc6c5nn[nH]6)N	UF7	7-[(1r)-1-phenyl-3-{[(1s,3s)-3-phenyl-2,3-dihydro-1h-inden-1-yl]amino}propyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+c1ccc2c(c1)Sc3cccc(c3S2)C4=CC(=O)C=C(O4)N5CCOCC5	UF8	2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one
+c1ccc(cc1)C2CCC(CC2)NCC[C@H](c3ccccc3)c4cc(nc5c4nn[nH]5)N	UFA	7-{(1r)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+CO[C@@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O	UFB	2'-f,4'-beta-ome uridine 5'-(dihydrogen phosphate)
+c1ccc(cc1)[C@@H](CCNC23CCC(CC2)(CC3)c4ccccc4)c5cc(nc6c5nn[nH]6)N	UFD	7-{(1r)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+C1=C2C(=C(C3=[N]2[Fe]45n6c1c(c(c6C=C7[N]4=C(C=C8N5C(=C3)C(=C8CCC(=O)O)CC(=O)O)C(=C7CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O	UFE	fe(iii) uroporphyrin
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)F)O)O)O)O	UFG	uridine-5'-diphosphate-4-deoxy-4-fluoro-alpha-d-galactose
+c1cc(c(cc1n2ccnc2)Br)C=O	UFH	2-bromanyl-4-imidazol-1-yl-benzaldehyde
+c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I	UFJ	n~1~-hydroxy-n~8~-(4-iodophenyl)octanediamide
+c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc6c(c5O[C@@H]([C@@H]4O)c7ccc(c(c7)O)O)[C@H]8c9c(cc(cc9O[C@]([C@@H]8O)(O6)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O	UFK	cinnamtannin b1
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	UFM	uridine-5'-diphosphate-mannose
+c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@@H]4[C@H]([C@H](OC5=C4[C@H](CC6=C5[C@H]7c8c(cc(cc8O[C@]([C@@H]7O)(O6)c9ccc(c(c9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O	UFN	modified form of cinnamtannin b1 with sp3 hybridized c5'
+CN1CCN(c2c1ccc(c2)CN)C	UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O	UFP	5-fluoro-2'-deoxyuridine-5'-monophosphate
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)S)O)O	UFQ	cytosine 5'-[gamma-thio]triphosphate
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)O)O	UFR	2'-deoxy-5-formyluridine 5'-(dihydrogen phosphate)
+C#CCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(cc2)NC(=O)CCCCCCC(=O)NO	UFS	n~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-n~8~-hydroxyoctanediamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F	UFT	2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)
+c1c(cc(c(c1N)N)Br)C(F)(F)F	UFV	3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
+Cc1cc(c(c(c1)C)N2C[C@@H](N(C2=[Au])c3c(cc(cc3C)C)C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C	UFW	 ((4s)-1,3-dimesityl-4-((5-((3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold
+B([C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O	UFY	n-[(1r)-1-borono-3-methylbutyl]-nalpha-(pyrazine-2-carbonyl)-d-phenylalaninamide
+c1ccc(cc1)C[NH3+]	UFZ	(phenylmethyl)azanium
+c1cnccc1n2cnc(c2N)C(=O)N	UG1	5-amino-1-(pyridin-4-yl)-1h-imidazole-4-carboxamide
+c1ccc(cc1)c2nccn2c3ccc(cc3)CO	UG2	[4-(2-phenylimidazol-1-yl)phenyl]methanol
+c1cc(cnc1)n2cnc(c2N)C(=O)N	UG4	5-amino-1-(pyridin-3-yl)-1h-imidazole-4-carboxamide
+c1cc(ccc1C=O)n2cc(nc2)C(F)(F)F	UG5	4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde
+c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CNC(=O)C4CNC4)C5CCN(CC5)S(=O)(=O)C(F)(F)F	UG7	n-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1h-indol-6-yl]methyl}azetidine-3-carboxamide
+c1cc(ccc1C=O)S(=O)(=O)N2CCCCC2	UG8	4-piperidin-1-ylsulfonylbenzaldehyde
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O	UGA	uridine-5'-diphosphate-glucuronic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O	UGB	(2s,3r,4s,5r,6r)-6-[[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
+[C@H](C(=O)O)(NC(=O)N)O	UGC	(2s)-(carbamoylamino)(hydroxy)ethanoic acid
+c1cc(cc(c1)O[C@@H]2CC(=O)N2)NC(=O)Cc3cncnc3	UGD	n-(3-{[(2r)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
+c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O	UGE	4-(3,4-dihydro-2~{h}-quinolin-1-ylsulfonyl)benzaldehyde
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)F)O)O)O)O	UGF	(2~{r},3~{s},4~{r},5~{r},6~{r})-6-[[[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid
+c1ccc(cc1)NC(=O)Cc2cncc3c2cccc3	UGG	2-(isoquinolin-4-yl)-n-phenylacetamide
+C(CN)CNCCS	UGH	wr-1065
+c1c(c(cnc1N)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F	UGI	5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
+c1ccc(c(c1)c2c(c(nc3c2c(c(s3)C#N)N)N)C#N)Cl	UGJ	3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
+Cc1c(cn(n1)C)c2cc3c(cc2OC)ncc4c3N(C(=O)N4C)c5c(cncc5F)OC	UGK	8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one
+c1cc(cnc1)NC(=O)Cc2cc(cnc2)C#N	UGM	2-(5-cyanopyridin-3-yl)-n-(pyridin-3-yl)acetamide
+Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C	UGN	1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
+Cc1ccncc1NC(=O)Cc2cccc(c2)C#N	UGP	2-(3-cyanophenyl)-n-(4-methylpyridin-3-yl)acetamide
+Cc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2	UGQ	2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{h}-isoquinoline
+COc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2	UGS	n-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide
+c1cc(cc(c1)/N=C(\c2cccs2)/N)CO[C@@H]3CCNC3	UGT	n-[3-[[(3r)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide
+c1cc(cnc1)NC(=O)Cc2ccc(s2)Cl	UGV	2-(5-chlorothiophen-2-yl)-n-(pyridin-3-yl)acetamide
+CC(C)(C)c1ccc(c(c1)C(C)(C)C)O	UGW	2,4-di~{tert}-butylphenol
+CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2n1cc(c2)c3ccsc3	UGX	n-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide
+[C@H](C(=O)O)(N)NC(=O)N	UGY	(2s)-amino(carbamoylamino)ethanoic acid
+COc1cc(ccc1CNCCNS(=O)(=O)C)c2cccc(c2Cl)c3ccc4c(c3)OCCO4	UGZ	n-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide
+c1cc(cc(c1)C#N)CC(=O)Nc2cccnc2	UH1	2-(3-cyanophenyl)-n-(pyridin-3-yl)acetamide
+Cc1ccc(s1)NC(=O)Nc2cccnc2	UH4	n-(5-methylthiophen-2-yl)-n'-pyridin-3-ylurea
+c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OCCCN)CO)O)O	UH5	3-aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-d-mannopyranoside
+Cc1ccncc1NC(=O)Cc2cccc(c2)Cl	UH7	2-(3-chlorophenyl)-n-(4-methylpyridin-3-yl)acetamide
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)n2cc(nn2)c3cccnc3	UH8	methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-d-mannopyranoside
+Cc1ccncc1NC(=O)[C@H](C)c2cccc(c2)Cl	UHA	(2r)-2-(3-chlorophenyl)-n-(4-methylpyridin-3-yl)propanamide
+c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)CNC2=O	UHB	2-[4-[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-n-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide
+CCCCCCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O	UHD	6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione
+CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cn1)C	UHF	n-((2r,4s)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-n-hydroxyformamide
+C[C@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O	UHG	(2r)-2-(6-chloro-9h-carbazol-2-yl)propanoic acid
+C[C@H](CCC(=O)N)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(C=C[C@H](C4)O)C)O)O)C	UHH	(3alpha,5alpha,7alpha,8alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxychol-1-en-24-amide
+[H]/N=C/1\NC(=O)/C(=C/c2cc(cnc2)c3ccc(cc3)NS(=O)(=O)C)/S1	UHJ	n-[4-(5-{(z)-[(2e)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide
+c1ccc(c(c1)C(=O)NCc2cnsc2)OCC#N	UHM	2-(cyanomethoxy)-n-[(1,2-thiazol-4-yl)methyl]benzamide
+c1cc(ccc1C=O)S(=O)(=O)N2CCC(CC2)N3CCCC3	UHN	4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde
+CN(C)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UHQ	4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
+CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C	UHS	n-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-n-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
+CN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)C=O	UHT	~{n}-cyclohexyl-4-methanoyl-~{n}-methyl-benzenesulfonamide
+CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(=O)Nc3ccc(cc3C)OC	UHV	n-(5-tert-butyl-1,2-oxazol-3-yl)-n-[(1r)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UHW	4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
+COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)F)N)N	UHX	6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3ccc(nc3)C(C)C)C(=O)CC)C	UHY	n-[(1r)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-n-[6-(propan-2-yl)pyridin-3-yl]propanamide
+CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O	UHZ	(5-methanoyl-2-nitro-phenyl) methanesulfonate
+c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)Nc4ccc(cc4)CN	UI1	6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-4-(pyrimidin-2-ylamino)-2-naphthamide
+c1cc2ccc(cc2c(c1)Nc3ncccn3)C(=N)N	UI2	8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide
+[H]/N=C(/c1ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)\N	UI3	7-methoxy-8-[1-(methylsulfonyl)-1h-pyrazol-4-yl]naphthalene-2-carboximidamide
+C[C@H](CN)NC(=O)O	UIA	[(2~{r})-1-azanylpropan-2-yl]carbamic acid
+CC[C@@H]1[C@@H]2[C@@H]([C@@H]([N@](C2(C)C)C)c3ccc(cc3)C(=N)N)C(=O)N1Cc4ccc5c(c4)OCO5	UIB	(1r,3as,4r,8as,8br)-4-{5-(phenyl[1,3]dioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxo-octahydro-pyrrolo[3,4-c]pyrrol-1-yl}-benzamidine
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)c4ccc(cc4)CO	UIC	(3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl {(1s,2r)-1-benzyl-2-hydroxy-3-[{[4-(hydroxymethyl)phenyl]sulfonyl}(isobutyl)amino]propyl}carbamate
+c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N	UIH	6-(4-bromophenyl)-5-phenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+CC(C)C[C@H](CN)NC(=O)O	UIL	[(2~{r})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid
+CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=O)O	UIN	5,6,7,8,9,10-hexahydro-4-hydroxy-3-(1-phenylpropyl)cycloocta[b]pyran-2-one
+CC[C@@H]1[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C(=O)N1Cc4ccc5c(c4)OCO5)c6ccc(cc6)C(=N)N	UIP	(1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-ethyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine
+[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C(C)C)\N	UIQ	(1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-isopropyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine
+c1cc(ccc1[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C7CC7)C(=N)N	UIR	(1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-yl-1-cyclopropyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine
+[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@@H](N(C3=O)Cc5ccc6c(c5)OCO6)Cc7ccccc7)\N	UIZ	(1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl)-1-benzyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrozilin-4-yl-benzamidine
+CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3cc([nH]n3)C(C)(C)C)C(=O)CC)C	UJ1	n-(5-tert-butyl-1h-pyrazol-3-yl)-n-[(1r)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+CO[C@@H](c1ccc(cc1)c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O	UJ2	2-[(~{s})-methoxy-(4-phenylphenyl)methyl]-3~{h}-benzimidazole-5-carboxylic acid
+CCC(=O)N(c1ccc(cc1)[C@H](C)OC)[C@H](c2cccnc2)C(=O)Nc3ccc(cc3C)OC	UJ4	n-{4-[(1s)-1-methoxyethyl]phenyl}-n-[(1r)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+CC(C)c1ccc(cc1)[C@@H](c2[nH]c3cc(ccc3n2)C(=O)O)OC	UJ5	2-[(~{s})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{h}-benzimidazole-5-carboxylic acid
+c1ccc2c(c1)[C@@H](C(=O)N2)Cc3ccc4c(c3C(=O)O)OCO4	UJ6	5-{[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid
+C[C@@H]1[C@@H](OC(=N1)N2CCN([C@@H](C2)C(=O)NCc3cccs3)C(=O)[C@@H](CC4CCCCC4)NC5CCCCC5)c6ccccc6	UJ7	(2s)-1-(n,3-dicyclohexyl-d-alanyl)-4-[(4r,5s)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-n-[(thiophen-2-yl)methyl]piperazine-2-carboxamide
+CC(C)c1ccc(cc1)[C@@H](c2[nH]c3ccccc3n2)O	UJ8	(~{s})-1~{h}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol
+c1cc(sc1)CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC3CCCCC3)NC4CCCCC4)c5nc6cc(ccc6o5)Cl	UJA	(2s)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(n,3-dicyclohexyl-d-alanyl)-n-[(thiophen-2-yl)methyl]piperazine-2-carboxamide
+C[C@@H]1COC[C@H](N1C2=CC(=O)N3CC[C@H](N(C3=N2)Cc4ccc(s4)Cl)C(F)(F)F)C	UJB	(2s)-1-[(5-chloro-2-thienyl)methyl]-8-[(3r,5r)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2h-pyrimido[1,2-a]pyrimidin-6-one
+C1CSC(S1)C(=O)O	UJD	1,3-dithiolane-2-carboxylic acid
+C1CNC[C@H]1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3	UJE	5-((3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)-n-((s)-pyrrolidin-3-yl)pentanamide
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)[C@H]7CCCS7	UJG	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-{7,8-dimethyl-2,4-dioxo-5-[(2r)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
+CON1C=CC(=O)c2c1cccc2	UJH	1-methoxy-4-oxoquinoline
+Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C7SCCS7	UJJ	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4s)-5-[5-(1,3-dithiolan-2-yl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
+Cc1ccccc1n2cc(nn2)C(=O)O	UJK	1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid
+C1C[C@H](SC1)C(=O)O	UJM	(2s)-thiolane-2-carboxylic acid
+c1ccc(cc1)COC2[C@@H]([C@H](C([C@@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O	UJN	[oxidanyl-[(2s,3r,5s,6s)-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid
+C1C[C@@H](SC1)C(=O)O	UJP	(2r)-thiolane-2-carboxylic acid
+c1ccc2c(c1)C(c3ccccc3O2)C(=O)O	UJQ	9~{h}-xanthene-9-carboxylic acid
+[H]/N=C(\c1cc(c(s1)CCN)c2ccccc2)/N	UJW	5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide
+c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F	UJZ	4-bromanyl-6-(trifluoromethyl)-1~{h}-benzimidazole
+CCC[C@@H](C1=NOC(=O)N1)n2c3ccc(cc3cc2C(=O)N4CCc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=CN(C7=O)c8ccc9c(c8F)cnn9C)[C@@H]4C)N1CCOC(C1)(C)C	UK1	3-{(1s)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4h)-one
+B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O	UK2	(4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron
+c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(cc5n4C[C@@H]6CCO6)C(=O)O	UK4	2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2s)-oxetan-2-yl]methyl}-1h-benzimidazole-6-carboxylic acid
+c1ccc2c(c1)C(=O)C=CN2O	UK5	1-oxidanylquinolin-4-one
+c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO	UK7	3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1h-indol-3-yl]benzene-1-carbothioamide
+c1cc(c(c(c1)Cl)c2c(c(on2)c3c[nH]nc3)COc4ccc(cc4)C(=O)O)C(F)(F)F	UK8	4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
+CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCC(c4ccccc4)c5ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7)O)O	UKA	6-(2,2-diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-n-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide
+c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4ccc(c(c4)F)C(=O)O)C(F)(F)F	UKB	4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid
+CCN1c2c(cccn2)-c3ncc(n3-c4c1nc(cc4)OC)C	UKC	8-ethyl-6-methoxy-3-methyl-8h-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene
+c1c(nnn1C[C@@H](C(=O)O)N)P(=O)(O)O	UKD	3-(4-phosphono-1h-1,2,3-triazol-1-yl)-l-alanine
+COc1ccc2c(c1)nc(o2)C(=O)O	UKE	5-methoxy-1,3-benzoxazole-2-carboxylic acid
+B(c1ccc(cc1)[N+](=O)[O-])(O)O	UKH	p-nitrophenylboronic acid
+c1cc(c(cc1S(=O)(=O)C(F)F)[N+](=O)[O-])Oc2cc(cc(c2)Br)F	UKJ	1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene
+c1ccc(cc1)Oc2ccc(cn2)N	UKK	6-phenoxy-3-pyridinamine
+CCC[C@H](O)S(=O)(=O)O	UKM	(1r)-1-hydroxybutane-1-sulfonic acid
+CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)N3CCN(CC3)C(=O)CCN)C(C)C	UKP	[2,4,6-triisopropyl-phenylsulfonyl-l-[3-amidino-phenylalaninyl]]-n'-beta-alaninyl-piperazine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2[C@H]1O2)O)O)O)O	UKQ	(1r,6s)-5beta-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol
+B([C@H](CCCc1ccccc1)NC(=O)[C@@H](CCC)NC(=O)c2cnccn2)(O)O	UKS	[(1r)-4-phenyl-1-{[n-(pyrazine-2-carbonyl)-d-norvalyl]amino}butyl]boronic acid
+C1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O	UKT	(1r,2r,3r,4s,5r)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol
+COc1cccc(c1)/C=C\2/C(=O)NC(=S)S2	UKV	(5z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O	UKW	4-ethynyl-n-[(1s,2r)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide
+c1c(n(nn1)C[C@@H](C(=O)O)N)P(=O)(O)O	UKY	3-(5-phosphono-1h-1,2,3-triazol-1-yl)-l-alanine
+CCC[C@H]([C@H](c1cccc(c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3	UKZ	n-((1s,2r)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide
+COc1ccc(cc1OC)/C=C\2/C(=O)NC(=S)S2	UL1	(5z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
+CCC[C@H]([C@H](c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(=O)O3	UL2	n-((1s,2r)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide
+CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)C	UL4	3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid
+C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3	UL5	~{n}2-methyl-~{n}4-[(1~{s},2~{s})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide
+c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)Cl	UL7	1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol]
+CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)O[C@@H](C)c3ccccc3	UL8	~{n}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{s})-1-phenylethoxy]benzamide
+C[C@H]1CC(=O)CCC[C@@H](CC(=O)O[C@H]([C@@H]([C@H](C\C=C\c2nc(co2)-c3nc(co3)-c4nc1co4)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@@H](C)[C@H]([C@H](C)C=C[N@](C)CO)OC(=O)C)OC)O	ULA	ulapualide a
+Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3	ULB	3-methyl-5-(2-phenylmethoxyphenyl)-4~{h}-1,2,4-triazole
+c1cc(c2c(c1OC3CC(C3)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)(F)F	ULD	cis-3-({(1s)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1h-inden-4-yl}oxy)cyclobutane-1-carbonitrile
+C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3CC3	ULE	~{n}4-cyclopropyl-~{n}2-methyl-6-[(1~{s})-1-phenylethyl]pyridine-2,4-dicarboxamide
+C1[C@H]([C@@H]2[C@@H]([C@]1(O[C@H]2N3C=CC(=O)NC3=O)COP(=O)(O)O)O)F	ULF	[(1r,3r,4r,5r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-5-fluoro-7-hydroxy-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+c1cc(c2c(c1C(F)(F)F)[C@@H](CC2)O)Oc3cc(cc(c3)F)F	ULG	(1r)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1h-inden-1-ol
+C[C@H](c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC3	ULH	~{n}5-cyclopropyl-~{n}3-methyl-2-oxidanylidene-1-[(1~{r})-1-phenylethyl]pyridine-3,5-dicarboxamide
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	ULI	tetracontane
+COc1ccc(c(c1)NC(=O)c2c(n(nn2)Cc3ccc(cc3F)Br)N)OC	ULJ	5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-n-(2,5-dimethoxyphenyl)-1h-1,2,3-triazole-4-carboxamide
+C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)[C@H](c3ccccc3)O	ULK	~{n}2-methyl-~{n}4-[(1~{s},2~{s})-2-methylcyclopropyl]-6-[(~{s})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide
+c1c(c2c(c(n1)C(F)(F)F)[C@@H]([C@@H](C2)F)O)OC3CC(C3)(F)F	ULM	(6r,7s)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5h-cyclopenta[c]pyridin-7-ol
+C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4	ULN	~{n}2-methyl-~{n}4-[(1~{r},5~{s})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{s})-1-phenylethyl]pyridine-2,4-dicarboxamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)C(=O)O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O	ULP	(2s,3s,4r,5r,6r)-5-(acetylamino)-6-{[(r)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2h-pyran-2-carboxylic acid (non-preferred name)
+CNC(=O)c1cc(cc(n1)[C@H](c2ccccc2)OC)C(=O)NC3[C@H]4[C@@H]3COC4	ULQ	6-[(~{s})-methoxy(phenyl)methyl]-~{n}2-methyl-~{n}4-[(1~{s},5~{r})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
+c1c(cc(cc1Oc2cnc(c3c2CC[C@H]3O)C(F)(F)F)F)C#N	ULS	3-fluoro-5-{[(7r)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5h-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile
+c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4ccc(cc4)C(=O)O)C(F)(F)F	ULT	4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{h}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
+c1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5COC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F	ULV	4-{8-amino-3-[(6r,8as)-3-oxohexahydro-3h-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+CC(C)CCC/C(=C\CC/C(=C\COC(=O)CCN1C(=O)CCC1=O)/C)/C	ULW	[(2~{z},6~{z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate
+COc1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5CCC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F	ULY	4-{8-amino-3-[(6r,8as)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+c1cc2c(cc1Br)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4	ULZ	4-[4-[2-(5-bromanyl-1~{h}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
+C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C	UM0	(2s)-2-[[(2r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid
+C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CN	UM1	(2r)-2-[[(2r)-2-(2-aminoethanoylamino)propanoyl]amino]propanoic acid
+CCCCNC(=O)[C@H](C)N	UM2	(2s)-2-amino-n-butyl-propanamide
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O	UM3	2'-deoxyuridine 3'-monophosphate
+c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(F)F)OC3CC3)c4c5c(nccn5c(n4)[C@@H]6CC[C@H]7CCC(=O)N7C6)N	UM4	4-{8-amino-3-[(6r,8as)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-n-[4-(trifluoromethyl)pyridin-2-yl]benzamide
+CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3ccccn3	UM5	n-ethyl-3-(1-methyl-1h-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
+COC(=O)[C@@H]1CCCNN1	UM7	methyl (3s)-hexahydropyridazine-3-carboxylate
+Cn1cc(nn1)c2cc(cc(n2)Cc3ccccc3)C(=O)NC4CC4	UM8	2-benzyl-n-cyclopropyl-6-(1-methyl-1h-1,2,3-triazol-4-yl)isonicotinamide
+C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	UMA	uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine
+CNC(=O)c1cc(cc(n1)Cc2ccccc2)C(=O)NC3CC(C3)O	UMB	6-benzyl-n4-((1r,3r)-3-hydroxycyclobutyl)-n2-methylpyridine-2,4-dicarboxamide
+C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	UMC	2'-deoxy-5'-uridylic acid
+CCNC(=O)c1cc(nc(c1)C(C)c2ccccc2)c3cn(nn3)C	UME	n-ethyl-2-(1-methyl-1h-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)F	UMF	2'-fluoro-2'-deoxyuridine 3'-monophosphate
+CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C	UMG	methyl-umbellifertl-n-acetyl-chitotriose
+COc1ccc2c(c1)cc(cn2)C(=O)O	UMH	6-methoxyquinoline-3-carboxylic acid
+CC(C)(C)c1cc(n(n1)Cc2ccccc2)C(=O)O	UMJ	1-benzyl-3-tert-butyl-1h-pyrazole-5-carboxylic acid
+c1cc(ccc1C2(CCNCC2)O)Br	UMK	4-(4-bromophenyl)piperidin-4-ol
+C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C	UML	uridine 5'diphospho n-acetyl muramoyl-l-alanyl-d-glutamyl-l-lysine
+CC(C)[C@@H](C(=O)N[C@H]1Cc2cccc(c2)OCCCCOC(=O)[C@@H]3CCCN(C1=O)N3)NC(=O)OC(C)(C)C	UMM	tert-butyl [(2s)-1-{[(3s,17s)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate
+c1ccc2c(c1)CC[C@]2(CO)NC(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl	UMN	2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide
+CO[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O	UMO	2'-f-4'-ome u
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	UMP	2'-deoxyuridine 5'-monophosphate
+CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	UMQ	undecyl-maltoside
+C[Se][C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	UMS	2'-methylselenyl-2'-deoxyuridine-5'-phosphate
+c1ccc2c(c1)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4	UMT	4-[4-[2-(1~{h}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC(=O)OC)C#N	UMV	methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate
+CC(C)(CN1CC[C@@H](C1)N)O	UMW	1-[(3~{s})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol
+C[C@H]1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	UMX	[(1r,3r,4r,5s,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)F)C#N	UMY	7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile
+c1ccc2c(c1)c(c[nH]2)CCc3ccncn3	UMZ	3-(2-pyrimidin-4-ylethyl)-1~{h}-indole
+C(C[C@@H](C(=O)O)N)CC(=O)O	UN1	2-aminohexanedioic acid
+C([C@@H](C(=O)O)N)C(O)O	UN2	2-amino-4,4-dihydroxybutanoic acid
+Cn1c(cc(n1)c2ccccc2)NS(=O)(=O)O	UN3	(2-methyl-5-phenyl-2h-pyrazol-3-yl)-sulfamic acid
+c1[nH]c2c(n1)c(nc(n2)N)OC[C@H]3CCC(=O)N3	UN4	5-{[(2-amino-9h-purin-6-yl)oxy]methyl}-2-pyrrolidinone
+CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)NS(=O)(=O)O)NS(=O)(=O)O	UN5	{3(s)-methylcarbamoyl-2-[3-(3-sulfoamino-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-7-yl}-sulfamic acid
+c1cc(cc(c1)NS(=O)(=O)O)CCC(=O)NCc2cccc(c2)NS(=O)(=O)O	UN6	(3-{[3-(3-sulfoamino-phenyl)-propionylamino]-methyl}-phenyl)-sulfamic acid
+CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)O	UN7	3-[3-(3(s)-methylcarbamoyl-7-sulfoamino-3,4,-dihydro-1h-isoquinolin-2-yl)-3-oxo-propyl]-benzoic acid
+CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NS(=O)(=O)c4cn(cn4)C)C(=O)N(C1=O)Cc5ccccc5F	UN8	n-(4-{[3-butyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl]methyl}phenyl)-1-methyl-1h-imidazole-4-sulfonamide
+c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O	UN9	n-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine
+CCCCCCCCCCC=O	UNA	undecanal
+[H]/N=C(\c1ccc(cc1)CNC(=O)Cc2c(ccc(c2O)NS(=O)(=O)c3cccc4c3cccc4)C)/N	UNB	n-(4-carbamimidoyl-benzyl)-2-[2-hydroxy-6-methyl-3-(naphthalene-1-sulfonylamino)-phenyl]-acetamide
+C1(=C(NC(=O)NC1=O)[N+](=O)[O-])N	UNC	5-amino-6-nitropyrimidine-2,4(1h,3h)-dione
+CCCCCCCCCCC	UND	undecane
+COc1cc(cc2c1oc(c2)C(=O)O)Br	UNE	5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid
+CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C2CCCCC2)NC(=O)OCC(C)C	UNH	({1-[1-carbamoyl-phenyl-methyl)-carbamoyl]-methyl}-aminooxalyl)-butylcarbamoyl)-3-methyl-butylcarbamoyl)-cyclohexyl-methyl)-carbamic acid isobutyl ester
+c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)C#N)[C@H](C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O	UNI	4-cyano-n-(3-cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-cycloocta[b]pyran-3-yl)methyl)phenyl benzensulfonamide
+c1cc2c(cc1Br)cc(o2)C(=O)O	UNJ	5-bromo-1-benzofuran-2-carboxylic acid
+CC[C@@H](C(=O)O)N	UNK	unknown
+	UNL	unknown ligand
+c1c2cc(oc2c(cc1Br)NC3CCC(CC3)N)C(=O)O	UNM	7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid
+C[C@@H](C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F	UNN	(6,7-difluoro-quinazolin-4-yl)-(1-methyl-2,2-diphenyl-ethyl)-amine
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O	UNP	5'-o-[(r)-hydroxy{[(s)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine
+c1cc2c(cc1c3cncc(n3)NC4CCC(CC4)N)cc(o2)C(=O)O	UNQ	5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid
+C[n+]1cccc(c1)CC(O)(P(=O)(O)O)P(=O)(O)O	UNR	3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium
+Cc1cc(c(c2c1ccc(c2)C#N)C)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)F	UNS	7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
+Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4nccn4	UNT	(2s)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2h-1,2,3-triazol-2-yl)propanoic acid
+c1ccc(cc1)C(=O)N	UNU	benzamide
+c1cc2c(nc1)CC(C2)(P(=O)(O)O)P(=O)(O)O	UNV	6,7-dihydro-5h-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)
+c1ccc2c(c1)CCCN(C2)C(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl	UNW	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{h}-isoindol-1-one
+*	UNX	unknown atom or ion
+C[C@@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C	UNY	(2~{r})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+C[C@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C	UNZ	(2~{s})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{h}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{n}-oxidanyl-butanamide
+Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O	UO1	n-(1-acetyl-1h-indol-3-yl)-n-(5-hydroxy-2-methylphenyl)acetamide
+C[C@@H](C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N	UO2	(2~{s})-2-azanyl-~{n}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{h}-indazol-5-yl]propanamide
+Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC5CC5)C#N	UO4	5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile
+c1ccc2c(c1)CCN(CC2)C(=O)CN3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl	UO5	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{h}-isoindol-1-one
+C[C@@H]1c2ccc3cnc(cc3c2)/C=C/CC(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C	UO7	(2r,5s,11s,14s,18e)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
+c1nc2c(n1C3CCCCC3)NC(=NC2=S)N	UO8	2-azanyl-9-cyclohexyl-3~{h}-purine-6-thione
+CO[C@@H]1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O	UOA	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)
+CO[C@@H]1[C@@H]([C@@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O	UOB	2'-ome,4'beta-ome uridine 5'-(dihydrogen phosphate)
+CCCCCCCCCC(=O)C	UOC	undecan-2-one
+C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C)(C)C	UOD	(2r,5s,11s,14s,18e)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
+C[C@H](C(=O)N[C@H](CO)c1cccc(n1)N2CCN(CC2)C)N3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl	UOE	(2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide
+C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C(C)C)(C)C	UOG	(2r,5s,11s,14s,18e)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
+C[C@H](C(=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)Nc5cnn(n5)C)Cl	UOH	(2~{r})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide
+Cc1cc(on1)C(=O)Nc2ccncc2	UOI	3-methyl-n-(pyridin-4-yl)-1,2-oxazole-5-carboxamide
+C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C5CCC5)(C)C	UOJ	(2r,5s,11s,14s,18e)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
+COc1ccc2c(c1)c(c[nH]2)CC#N	UOK	2-(5-methoxy-1~{h}-indol-3-yl)ethanenitrile
+CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(cn3)C#N	UOM	6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile
+COc1ccc2c(c1)nc(n2c3ccc(cc3)C=O)Cl	UON	4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
+CC(C)c1ccc(cc1)NC(=O)N2CCN(C=C2)c3ccc(nn3)C#N	UOP	4-(6-cyanopyridazin-3-yl)-n-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2h)-carboxamide
+CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	UOQ	undeca-2-one coenzyme a
+CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3cnc(cn3)Cl	UOS	1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one
+COc1ccc2c(c1)n(c(n2)Cl)c3ccc(cc3)C=O	UOT	4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
+Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3CCC4(CC3)CCO4	UOV	n-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
+C[C@H](C(=O)N[C@H](CO)c1ccnc(c1)OC)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl	UOW	(2~{r})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{h}-isoindol-2-yl]-~{n}-[(1~{s})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide
+C([C@@H](C(=O)O)N)[Se@@H]=O	UOX	3-(oxido-lambda~4~-selanyl)-l-alanine
+CC(C)(C)C[C@@H](C(=O)O)NC(=O)c1ccc(nc1)Oc2ccccc2	UOY	4-methyl-n-(6-phenoxypyridine-3-carbonyl)-l-leucine
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](C(O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO)O)O)F)O)O	UP1	uridine-5'-diphosphate-2-deoxy-2-fluorogalactose
+C1c2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c1[nH]5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O	UP2	uroporphyrinogen iii
+c1c2c(c(c([nH]2)cc3nc(cc4c(c(c([nH]4)cc5nc1C(=C5CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O	UP3	3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
+CC(C)(C)CC[C@@H](C(=O)O)NC(=O)c1cc(cc(c1)Cl)Cl	UP4	n-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-l-norleucine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)N	UP5	p1-(adenosine-5'-p5-(uridine-5')pentaphosphate
+C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	UP6	6-aza uridine 5'-monophosphate
+c1cc(c(c(c1)N)C(=O)O)C(=O)O	UP8	3-aminobenzene-1,2-dicarboxylic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N	UPA	uridylyl-2'-5'-phospho-adenosine
+C/C=C\1/[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C	UPB	3-[5-[(~{z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{z})-[5-[(~{z})-[(4~{r})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O	UPC	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine
+CC(=O)N1CCC(CC1)C(=O)Nc2ccc(nc2)OC	UPD	1-acetyl-n-(6-methoxypyridin-3-yl)piperidine-4-carboxamide
+c1ccc(cc1)CCNC(=O)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	UPE	2'-deoxy-5-[(2-phenylethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)F)O)O	UPF	uridine-5'-diphosphate-2-deoxy-2-fluorogalactose
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O	UPG	uridine-5'-diphosphate-glucose
+CC(=O)N1CCC(CC1)C(=O)N(C)c2ccccc2	UPJ	1-acetyl-n-methyl-n-phenylpiperidine-4-carboxamide
+c1ccc(cc1)c2nccn2c3ccc(c(c3)O)C=O	UPK	2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol
+CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC	UPL	unknown branched fragment of phospholipid
+C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)CO	UPM	uridine-5'-diphosphate-n-1-hydrooxy-ethanoyl muramaic acid
+CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O	UPN	2-{[(2r,3r,4r,5r,6r)-3-(acetylamino)-2-{[(s)-{[(r)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl]oxy}prop-2-enoic acid
+c1ccc(cc1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O	UPP	phenyl-uridine-5'-diphosphate
+Cc1cn(cn1)c2ccc(cc2)C=O	UPQ	4-(4-methylimidazol-1-yl)benzaldehyde
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(N[P@@](=O)(O)OP(=O)(O)O)(O)(O)O)O	UPR	2'-deoxyuridine-5'-alpha,beta-aminophosphorane-triphosphate
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=S)(O)O)O	UPS	2'-deoxy-5'-o-thiophosphonouridine
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[P@@](=S)(O3)O	UPT	1-[(2r,3ar,4r,6r,6ar)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1h,3h)-dione
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O	UPU	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (s)-phosphate
+CC(C)(C)C(=O)OCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	UPV	2'-o-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate)
+c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)O	UPW	2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
+C/C(=N\Nc1[nH]ccn1)/c2ccc(cc2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-]	UPX	n-{4-[(1e)-n-1h-imidazol-2-ylethanehydrazonoyl]phenyl}-7-nitro-1h-indole-2-carboxamide
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(\C)/CCC=C(C)CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CCC=C(C)CCC=C(C)C	UQ	coenzyme q10, (2z,6e,10z,14e,18e,22e,26z)-isomer
+CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C	UQ1	ubiquinone-1
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CCC=C(C)C	UQ2	ubiquinone-2
+c1cc(c2c(c1NCCC(=O)O)non2)N(=O)=O	UQ4	n-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	UQ5	2,3-dimethoxy-5-methyl-6-(3,11,15,19-tetramethyl-eicosa-2,6,10,14,18-pentaenyl)-[1,4]benzoquinone
+Cc1c(c(c(c(c1O)OC)OC)O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	UQ6	5-(3,7,11,15,19,23-hexamethyl-tetracosa-2,6,10,14,18,22-hexaenyl)-2,3-dimethoxy-6-methyl-benzene-1,4-diol
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	UQ7	ubiquinone-7
+CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C	UQ8	ubiquinone-8
+CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)C	UQ9	ubiquinone-9
+CCC1(C(=O)NC(=O)NC1=O)c2ccccc2	UQA	5-ethyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione
+c1cc(ccc1[C@H](CN)O)F	UQB	(1r)-2-amino-1-(4-fluorophenyl)ethanol
+[H]/N=C(\c1ccc(c(c1)Cl)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N	UQD	3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide
+[H]/N=C(\c1ccc(cc1)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N	UQG	4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide
+Cn1cc(c(n1)C(F)F)C(=O)N	UQJ	3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide
+CC(C)(C(=O)O)NC(=O)C(=O)O	UQK	n-oxalyl-alpha-methylalanine
+CC(=O)Nc1ccc(cc1)CC(=O)N	UQM	n-[4-(2-amino-2-oxoethyl)phenyl]acetamide
+Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br	UQN	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
+c1ccc(c(c1)CNc2c[nH]nc2)F	UQS	n-[(2-fluorophenyl)methyl]-1h-pyrazol-4-amine
+CC(=O)Nc1ccccc1CC(=O)O	UQV	[2-(acetylamino)phenyl]acetic acid
+CC[C@H](C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C=C	UQW	[(2r)-1-[2-(1h-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate
+CNC1(CCCC1)C(=O)N	UQY	1-(methylamino)cyclopentane-1-carboxamide
+CCCN([C@@H](c1cccc(c1)O)C(=O)NCc2ccc3c(c2)OCO3)C(=O)C=C	UQZ	~{n}-[(1~{s})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{n}-propyl-prop-2-enamide
+Cc1cc(cc(c1)S(=O)(=O)N)F	UR1	3-fluoro-5-methylbenzene-1-sulfonamide
+CN(CCCC1CCCCC1)C(=O)[C@H](CCC(=O)O)NC(=O)N(Cc2ccc(cc2)OP(=O)(O)O)CC(=O)O	UR2	4-[3-carboxymethyl-3-(4-phosphonooxy-benzyl)-ureido]-4-[(3-cyclohexyl-propyl)-methyl-carbamoyl]butyric acid
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	UR3	3-methyluridine-5'-monophoshate
+COCC(=O)Nc1nc(cs1)c2ccccc2	UR4	2-methoxy-n-(4-phenyl-1,3-thiazol-2-yl)acetamide
+C1[C@H]2[C@@H]([C@H](N1)C(=O)O)ONC2=O	UR5	(+)-3-hydroxy-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-6-carboxylic acid
+Cc1ccc(cc1F)CS(=O)(=O)N	UR7	1-(3-fluoro-4-methylphenyl)methanesulfonamide
+C1[C@@H]2[C@H]([C@@H](N1)C(=O)O)ONC2=O	UR8	(-)-3-hydroxy-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-6-carboxylic acid
+C1=CNC(=O)NC1=O	URA	uracil
+C1=C(C(=O)NC(=O)N1)Br	URB	5-bromopyrimidine-2,4(1h,3h)-dione
+C12=C(NC(=O)N1)NC(=O)NC2=O	URC	uric acid
+C1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	URD	1-((2r,3r,4s,5r)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyridine-2,4(1h,3h)-dione
+C(=O)(N)N	URE	urea
+C1=C(C(=O)NC(=O)N1)F	URF	5-fluorouracil
+c1ccc(cc1)C(=O)c2ccc(cc2)CNC(=O)c3ccc(cc3)S(=O)(=O)N	URH	~{n}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	URI	uridine
+Cc1nccc(n1)N2CCCc3c2ccc(n3)C4(CC4)NC(=O)c5ccc(cc5)F	URJ	4-fluoro-n-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide
+COc1cccc(c1OC)CNC(=O)[C@H](c2ccc(cc2)[N+](=O)[O-])OC(=O)C=C	URK	[(1s)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
+CC(C)C[C@@H](CNC(=O)O)N	URL	[(2~{s})-2-azanyl-4-methyl-pentyl]carbamic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(C[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O	URM	(((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)methyl)phosphonic (((2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride
+C1(=C(NC(=O)NC1=O)N)N	URN	5,6-diaminopyrimidine-2,4(1h,3h)-dione
+c1c(nc[nH]1)C=CC(=O)O	URO	(2e)-3-(1h-imidazol-4-yl)acrylic acid
+C(CNC(=O)N)C(=O)O	URP	n-(aminocarbonyl)-beta-alanine
+C[C@@H](CNC(=O)N)C(=O)O	URQ	(2s)-3-(carbamoylamino)-2-methylpropanoic acid
+c1ccc(cc1)NC(=S)N	URS	n-phenylthiourea
+c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H](O3)OCP(=O)(O)O)F)N	URT	({[(2r,5r)-5-(6-amino-9h-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)phosphonic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O	URU	((2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-(2- ((((2r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)- 3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)-4- hydroxytetrahydrofuran-2-yl)methyl phosphate
+CC(C)[C@@H](CNC(=O)O)N	URV	[(2~{s})-2-azanyl-3-methyl-butyl]carbamic acid
+C[C@H](C(=O)NC)N(Cc1ccccc1OC(F)F)C(=O)c2cnc([nH]2)C(=O)n3cc4ccc(cc4c3)C(=O)N	URW	2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{r})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{h}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide
+C[C@@H]1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	URX	[(1r,3r,4r,5r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O	URY	3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)S	US1	2'-deoxy-3'-thiouridine 5'-(dihydrogen phosphate)
+CSC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	US2	2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate)
+CC1=CN(C(=NC1=O)[SeH])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O	US3	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1h)-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OCOC[C@@H]3[C@H](C[C@@H](O3)n4cnc5c4ncnc5N)O	US4	[(2r,3s,5r)-3-({[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}methoxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
+C1=CN(C(=O)N=C1[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	US5	1-(5-o-phosphono-beta-d-ribofuranosyl)-4-selanylpyrimidin-2(1h)-one
+CS(=O)(=O)c1ccc(cc1)N2CCNCC2	US7	1-[4-(methylsulfonyl)phenyl]piperazine
+CC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NC3CC3	US8	2-acetamido-n-cyclopropyl-5-phenyl-thiophene-3-carboxamide
+[H]/N=C/c1[nH]ccn1	USA	(e)-1-(1h-imidazol-2-yl)methanimine
+CS(=O)(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O	USC	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
+[H]/N=C/c1ncccn1	USD	(e)-1-(pyrimidin-2-yl)methanimine
+c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O2)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O	USE	orientin
+c1cc(ccc1CC2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)F	USG	4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
+CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl	USH	2-[2-chloranylethanoyl(propyl)amino]-~{n}-(2-methoxyphenyl)ethanamide
+CN1[C@H](c2ccccc2[C@@H]1O)O	USJ	(1s,3s)-2-methyl-2,3-dihydro-1h-isoindole-1,3-diol
+CS[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O	USM	2'-s-methyl-2'-thiouridine 5'-(dihydrogen phosphate)
+C[C@H]1C[C@]2(C(C3CC4=[N]5C(CC67[C@@](CC(=O)N6)(C(C8=[N]7[Ni]59[N]3=C2C(=C2N9C(=C8)C(C2CCC(=O)O)CC(=O)O)C1=O)CCC(=O)O)C)C([C@]4(C)CC(=O)N)CCC(=O)O)CC(=O)O)C	USN	dimethylated-f430 cofactor
+CN1c2ccc(cc2O[C@H]1O)N	USP	(2r)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CS(=O)(=O)O)O)O)O)O)O	USQ	sulfoquinovose-uridine-c1,5'-diphosphate
+c1ccc2c(c1)NC(=O)N2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)F	USS	3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{h}-benzimidazol-2-one
+c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C=O	UST	4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde
+c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2ccc(c3)Cl	USW	4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
+[H]/N=C(/N)\NCCCC(=O)c1ccc(cc1)F	USY	n-[4-(4-fluorophenyl)-4-oxobutyl]guanidine
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCc3cccc(c3)F	USZ	~{n}-(4-~{tert}-butylphenyl)-~{n}-[(1~{r})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide
+CCOc1ccc(cc1Nc2ccc3ccn(c3c2)S(=O)(=O)C)C(=O)C	UT0	1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone
+COc1ccc(cc1)NS(=O)(=O)c2cc(ccc2OC)NC(=O)c3ccc(s3)N(=O)=O	UT2	n-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide
+c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCNCC5)OCCO2	UT4	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7h-thieno[3,2-b]pyran-7-one
+CC(=O)N[C@@H]1CC[C@H](C1)c2[nH]c3c(ccnc3n2)c4ccc(cc4OC)F	UT5	n-((1r,3r)-3-(7-(4-fluoro-2-methoxyphenyl)-3h-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCO)O	UT7	oxa(dethia)-coa
+COc1ccc2c(c1)OCCN2S(=O)(=O)c3ccc(cc3)C=O	UT8	4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
+CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	UTA	acetyl-oxa(dethia)-coa
+c1cc2ccc3ccc(c4c3c2c(c1)cc4)C#CC5=CN(C(=O)NC5=O)[C@H]6C[C@@H]([C@H](O6)CO)O	UTB	1-[(2~{r},4~{s},5~{r})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione
+c1cc(ccc1C2=CCN(CC2)CCCC(=O)c3ccc(cc3)F)Cl	UTD	4-(4-cyclohexyl-3,4-dihydro-2~{h}-pyridin-1-yl)-1-(4-$l^{2}-fluoranylcyclohexa-1,3,5-trien-1-yl)butan-1-one
+c1ccc(c(c1)NC(=S)NCc2ccco2)Cl	UTG	n-(2-chlorophenyl)-n'-[(furan-2-yl)methyl]thiourea
+Cc1c(c(on1)C)c2ccc3c(c(cnc3n2)C(=O)O)Nc4ccccc4C(C)(C)C	UTH	4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid
+c1cc2ccncc2c(c1)c3ccc(cc3)CC#N	UTJ	[4-(isoquinolin-8-yl)phenyl]acetonitrile
+CN1CCN(CC1)Cc2ccc(c(c2)OCCc3ccc(cc3)c4cccc5c4cncc5)c6c[nH]c7c6cncc7	UTM	8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1h-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O	UTP	uridine 5'-triphosphate
+c1ccc(cc1)Cn2cnc3c2cccc3	UTS	1-benzyl-1h-benzimidazole
+CC1(C(=O)c2ccccc2N1Cc3ccccc3OC(F)F)C	UTV	1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3h-indol-3-one
+B1234B567B189B212B33%10B454B656B787B911B232B4%105B7612S(CCC#N)CC(=O)NC(=O)OCCCCCCNC1C(N(c2ccccc2N1O)O)C#N	UTX	2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10b)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide
+C[C@@H]1CN(CCN1C(=O)CO)c2ncc(cn2)c3ccc4c(c3)N(C(C4=O)(C)C)Cc5cccnc5C#N	UTY	3-[(6-{2-[(3r)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1h-indol-1-yl)methyl]pyridine-2-carbonitrile
+c1c(cn(n1)CCO)Br	UU1	2-(4-bromo-1h-pyrazol-1-yl)ethan-1-ol
+C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O	UU3	(5r)-5-[(1s)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione
+C(CNC(=O)[C@H](CO)N)[C@@H](C(=O)O)N	UU4	(2s)-2-amino-4-(l-serylamino)butanoic acid
+C(CNC(=O)C=O)[C@@H](C(=O)O)N	UU5	(2s)-2-amino-4-[(oxoacetyl)amino]butanoic acid
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)O)O)O	UUA	uridine uronic acid
+CN(C)C/C=C/C(=O)Nc1ccc(cc1)O[C@@H]2CCC[C@H](C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl	UUB	(e)-n-[4-[(1r,3r)-3-[[5-chloranyl-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide
+CC(=O)/N=C\1/Nc2ccccc2S1	UUD	n-(1,3-benzothiazol-2-yl)acetamide
+[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)CC)C)C)(F)F	UUE	8-[4-(1-ethyl-1,2,3-triazol-4-yl)butyl]-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene
+COc1cc(ccc1CO)Br	UUG	(4-bromo-2-methoxyphenyl)methanol
+[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCCc4cn(nn4)C[C@H]5[C@H](C[C@@H]([C@H]([C@@H]5O)O)O)O)C)C)(F)F	UUH	(1~{s},2~{r},3~{r},4~{s},5~{s})-4-[[4-[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
+c1cc(c(cc1Br)C#N)O	UUJ	5-bromo-2-hydroxybenzonitrile
+CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)OC(C)(C)C	UUK	tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
+c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl	UUL	4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol
+Cc1cc(no1)C(=O)Nc2cnn(c2)C	UUM	5-methyl-n-(1-methyl-1h-pyrazol-4-yl)-1,2-oxazole-3-carboxamide
+c1ccc(cc1)C2=CC(=O)NC(=N2)SCC(=O)NO	UUN	n-hydroxy-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
+c1cnc2c(cnn2c1)C(=O)NC3CC3	UUP	n-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
+C1=CN(C(=O)C=C1Br)CCO	UUS	4-bromo-1-(2-hydroxyethyl)pyridin-2(1h)-one
+C[C@@H](CO)OC[C@H](C)OC[C@H](C)O	UUT	(2s)-2-{[(2s)-2-{[(2s)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
+C([C@@H]1[C@@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)O	UUU	(1s,2s,3s,4s,5r,6r)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+COCCn1cc(cn1)Br	UUV	4-bromo-1-(2-methoxyethyl)-1h-pyrazole
+CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)CCCCN(C)C	UUW	n-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide
+CN(CCO)c1ccccn1	UUY	2-[methyl(pyridin-2-yl)amino]ethan-1-ol
+COc1cccc2c1CCCC(=O)N2	UV1	6-methoxy-1,3,4,5-tetrahydro-2h-1-benzazepin-2-one
+c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)N=O	UV4	3-(benzoylamino)-n-oxobenzamide
+CC(=O)NCc1c[nH]nc1	UV7	n-[(1h-pyrazol-4-yl)methyl]acetamide
+CC(=Cc1ccc(cc1Br)C(=O)O)c2ccc3c(c2)C(CCC3(C)C)(C)C	UV8	3-bromo-4-[(1e)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
+CNc1ccccc1S(=O)(=O)C	UVA	n-methyl-2-(methylsulfonyl)aniline
+c1cc(ccc1C=O)S(=O)(=O)N2CCC[C@@H](C2)O	UVB	4-[(3~{s})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O	UVC	uridine-2',3'-vanadate
+COC(=O)Nc1ccc(cc1)Cc2ccncc2	UVD	methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate
+c1ccc2c(c1)N(CCO2)S(=O)(=O)c3ccc(cc3)C=O	UVE	4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde
+CN(C)C(=O)c1c[nH]nc1	UVG	n,n-dimethyl-1h-pyrazole-4-carboxamide
+CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UVH	4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde
+Cc1nc2ccccc2n1CCC(=O)N	UVJ	3-(2-methyl-1h-benzimidazol-1-yl)propanamide
+c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2cc(cc3)F	UVK	4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
+CCOC(=O)N1CCOCC1	UVM	ethyl morpholine-4-carboxylate
+c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2	UVN	4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde
+CO[C@@H]1[C@@H]([C@H](O[C@H]1[n+]2ccc(nc2O)O)/C=C/P(=O)(O)O)O	UVP	1-[(5e)-5,6-dideoxy-2-o-methyl-6-phosphono-beta-d-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium
+c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F	UVQ	4-[(6-fluoranyl-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde
+COCc1nnc(s1)N	UVS	5-(methoxymethyl)-1,3,4-thiadiazol-2-amine
+C[C@H]1CCCN1S(=O)(=O)c2ccc(cc2)C=O	UVT	4-[(2~{s})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde
+CC1=CC=C(C(=O)N1C)N	UVV	3-amino-1,6-dimethylpyridin-2(1h)-one
+CC(=O)OP(=O)(O)O	UVW	acetylphosphate
+C=C1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O	UVX	[(1r,3r,4r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
+CCn1cc(cn1)CCO	UVY	2-(1-ethyl-1h-pyrazol-4-yl)ethan-1-ol
+c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)Cl	UVZ	4-[(6-chloranyl-3,4-dihydro-2~{h}-quinolin-1-yl)sulfonyl]benzaldehyde
+CCOc1ccc2cc(cnc2c1)c3c(c(n(n3)C(C)(C)C)N)C(=O)N	UW1	5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1h-pyrazole-4-carboxamide
+CC(C)(Cn1c2c(c(n1)c3ccc4c(c3)ccc(n4)OC5CC5)c(ncn2)N)O	UW2	1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol
+c1cc(cc2c1cc(cn2)c3c(c(n(n3)C4CCCCC4)N)C(=O)N)OC5CCC5	UW3	5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1h-pyrazole-4-carboxamide
+CC(C)(C)n1c(c(c(n1)c2ccc3c(c2)ccc(n3)OC4CCC4)C(=O)N)N	UW4	5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1h-pyrazole-4-carboxamide
+CC(C)(Cn1c2c(c(n1)c3ccc4cc(ccc4c3)OC5CC5)c(ncn2)N)O	UW5	1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol
+Cn1c2c(nn1)CC[C@@H](C2)C(=O)O	UW7	(6s)-1-methyl-4,5,6,7-tetrahydro-1h-benzotriazole-6-carboxylic acid
+C(C(=O)O)C1(C(=O)O[Ti]23(O1)(OC(=O)C(O2)(CC(=O)O)CC(=O)O)OC(=O)C(O3)(CC(=O)O)CC(=O)O)CC(=O)O	UW8	2-[3,8,8,12,12-pentakis(2-hydroxy-2-oxoethyl)-2,7,11-tris(oxidanylidene)-1,4,6,9,10,13-hexaoxa-5$l^{6}-titanaspiro[4.4^{5}.4^{5}]tridecan-3-yl]ethanoic acid
+CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C[C@H](C(C)C)N(C)C)N	UW9	1-[(2s)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC(C)C)N	UWA	3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CCOc1ccc2ccc(cc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N	UWB	3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CNCc1nnc2n1cccc2	UWD	n-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
+C(#[O+])[Ni]	UWE	$l^{3}-oxidanylidynemethylnickel
+C[C@@H](c1cnn(c1)C2CCCC2)O	UWG	(1s)-1-(1-cyclopentyl-1h-pyrazol-4-yl)ethan-1-ol
+COCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UWH	4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde
+CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)[Se]C	UWJ	5-methyl-1-(2-se-methyl-5-o-phosphono-2-seleno-beta-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
+CO[C@@H]1CCCN(C1)S(=O)(=O)c2ccc(cc2)C=O	UWK	4-[(3~{r})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde
+Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CC(C5)C#N)CC#N	UWM	trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}cyclobutane-1-carbonitrile
+c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)N4CCCC4)C(=O)N5CCC(CC5)N6CCCC6	UWN	[2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}
+Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CN(C5)CC(F)(F)F)CC#N	UWP	[3-{4-[6-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1h-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
+COC1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O	UWQ	4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde
+Cc1cc(on1)CN2C(=O)C=CC(=N2)C	UWS	6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2h)-one
+C[C@H](CO)OC[C@H](C)OC[C@H](C)O	UWT	(2r)-2-[(2s)-2-[(2s)-2-oxidanylpropoxy]propoxy]propan-1-ol
+c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)Cl	UWU	6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one
+c1ccc(c(c1)NCc2cc[nH]n2)F	UWV	2-fluoro-n-[(1h-pyrazol-3-yl)methyl]aniline
+CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCOCC4)N(C(=O)C(=O)N3C)C	UWX	~{n}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
+CCn1cc(cn1)NC(=O)C2CCCC2	UWY	n-(1-ethyl-1h-pyrazol-4-yl)cyclopentanecarboxamide
+CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c2c[nH]c(n2)C(=O)N3CCCC3	UWZ	~{n}-[[2-[bis(fluoranyl)methoxy]phenyl]methyl]-~{n}-[2-(methylamino)-2-oxidanylidene-ethyl]-2-pyrrolidin-1-ylcarbonyl-1~{h}-imidazole-4-carboxamide
+COc1cccc2c1c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO	UX0	(1s,2r,3r,5r)-3-(hydroxymethyl)-5-((5-methoxyquinazolin-4-yl)amino)cyclopentane-1,2-diol
+CNC(=O)C1(CC1)Cc2ccccc2F	UX1	1-[(2-fluorophenyl)methyl]-n-methylcyclopropane-1-carboxamide
+CCOC(=O)N1CCN(CC1)C(=O)Nc2c(c3c(s2)N=C4CC[C@H](CCN4C3=O)C)C	UX4	ethyl 4-[(8r)-3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl]carbamoylpiperazine-1-carboxylate
+COc1ccc2c(c1)sc(n2)NC(=O)C3CC3	UX7	n-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
+c1ccc2c(c1)c(c[nH]2)[C@H]([C@@H](C(=O)O)N)O	UX8	(2~{s},3~{r})-2-azanyl-3-(1~{h}-indol-3-yl)-3-oxidanyl-propanoic acid
+CC(C)(C)[C@@H](C(=O)NN(CC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC	UX9	methyl [(2s)-1-{2-(2-{(3r,4s)-3-benzyl-4-hydroxy-1-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate
+c1cc2c(cc1C(=O)NC3CC3)OCO2	UXA	~{n}-cyclopropyl-1,3-benzodioxole-5-carboxamide
+c1c(cn[nH]1)C(=O)N2CCCC2	UXD	(1h-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
+CC1(CCN(CC1)Cc2ccc(cn2)NCC3(CCN(CC3)c4cc(ncn4)NCc5ccccc5)O)C	UXE	4-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol
+c1ccc(cc1)C(c2ccccc2)N3CC(C3)O	UXG	1-(diphenylmethyl)azetidin-3-ol
+CN1c2c3c(cc(nc3c(c(c2N)Cl)N)C(=O)N)C1=O	UXH	6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide
+Cc1c(c[nH]n1)CNc2ccccc2F	UXJ	2-fluoro-n-[(3-methyl-1h-pyrazol-4-yl)methyl]aniline
+CC1(CCN(CC1)Cc2ccc(cn2)N3CCOC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C	UXK	6-[4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-n-(phenylmethyl)pyrimidin-4-amine
+CCc1c(c(nc(c1C#N)S[C@H](c2ccccc2)C(=O)N)N3CCC(CC3)N)C#N	UXM	(2r)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide
+CN(C1CCOCC1)S(=O)(=O)c2ccc(cc2)C=O	UXN	4-methanoyl-n-methyl-n-(oxan-4-yl)benzenesulfonamide
+c1c([nH]nc1Nc2c3c[nH]nc3nc(n2)N4CCCC[C@@H]4CO)C5CC5	UXP	[(2r)-1-{4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-2h-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol
+c1cc(ccc1C[C@@H](C(=O)O)N)CNC(=O)CCl	UXQ	(2s)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid
+CSCC[C@@H](CO)N	UXS	(2s)-2-amino-4-(methylsulfanyl)butan-1-ol
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C	UXT	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+CC1(CCN(CC1)Cc2ccc(cn2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NCc6ccccc6)C	UXW	4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+C(CN)[C@H](C[C@@H](C(=O)O)N)O	UXY	(4r)-4-hydroxy-l-lysine
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C	UXZ	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+CO[C@@H]1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O	UY1	2'-o-methylpseudouridine-5'-monophosphate
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC4(CCN(CC4)c5cc(ncn5)NC)NC3=O)C	UY2	3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one
+C[C@@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O	UY4	(2s,3s)-2-{[(9-{(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9h-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid
+CC(C)Nc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(cc4)CN5CCC(CC5)(C)C	UY5	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+C1[C@@H](CN[C@H]1C(=O)O)O	UY7	(4s)-4-hydroxy-d-proline
+C1[C@H](CN[C@H]1C(=O)O)O	UYA	(4r)-4-hydroxy-d-proline
+CCC1=C(/C(=C/c2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=CC)[C@H](C(=O)N4)C)C)CCC(=O)O)CCC(=O)O)C)/NC1=O)C	UYC	3-[2-[(~{z})-[5-[(~{z})-[(4~{r})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CC(C)(C)c1cc(nn1C)Nc2c3cn[nH]c3nc(n2)N[C@@H](CO)c4ccccc4	UYD	(2r)-2-({4-[(5-tert-butyl-1-methyl-1h-pyrazol-3-yl)amino]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol
+CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3	UYG	(3s,6s)-3-[(1h-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC	UYH	[(2~{s})-3-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecanoyloxy-propyl] octadecanoate
+Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)nc(n4[C@H](C)COC)C5CCOCC5	UYK	(r)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2h-pyran-4-yl)-1h-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole
+c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4c[nH]c5c4cccc5	UYM	(3s,6s)-3,6-bis[(1h-indol-3-yl)methyl]piperazine-2,5-dione
+C/C(=N\NC(=[NH2+])N)/c1cc(cc(c1)/C(=N/NC(=[NH2+])N)/C)N	UYN	[[(2e)-2-[1-[3-[(e)-n-[[azaniumylidene(azanyl)methyl]amino]-c-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium
+c1c(ccc(c1)/C=N/NC(=[NH2+])N)/C=N/NC(=[NH2+])N	UYQ	[[(2e)-2-[[4-[(e)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium
+CN(C)c1c(nc(c(n1)N)C(=O)N=C(N)N)C#Cc2ccccc2	UYS	3-amino-n-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide
+C/C(=N\NC(=[NH2+])N)/c1ccccc1	UYT	[azanyl-[(2e)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium
+c1ccc(c(c1)/C=N/NC(=[NH2+])N)OCc2ccc(cc2)Cl	UYW	[azanyl-[(2e)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6ncn5)C	UYZ	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[N-]	UZ0	2'-azido-2'-deoxyuridine
+C1CC1N	UZ1	cyclopropanamine
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)N(C4(C3)CCN(CC4)c5cc(ncn5)NC)C)C	UZ2	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+C1CNC(=O)[C@@H]1C[C@@H]([C@H](C(=O)O)O)N	UZ4	(2r,3s)-3-amino-2-hydroxy-4-[(3s)-2-oxopyrrolidin-3-yl]butanoic acid
+CC1(CCN(CC1)Cc2cc(c(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)F)C	UZ5	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+c1ccc(cc1)OC(=O)O	UZ7	phenyl hydrogen carbonate
+C[C@H](CCC(=O)NCCCC[C@@H](C(=O)O)N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C	UZ9	(2s)-2-amino-6-({(4r)-4-[(10r,13s)-10,13-dimethyl-3-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl}amino)hexanoic acid
+CC/C=C/CCC[C@@](C)(C(=O)O)N	UZA	(2s,6e)-2-amino-2-methylnon-6-enoic acid
+CC1(CCN(CC1)Cc2ccc(cc2)N3CC(=O)NC4(C3)CCN(CC4)c5c6cc[nH]c6nc(n5)Cl)C	UZB	9-(2-chloranyl-7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one
+CCCCCCCNC(=O)OC[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O	UZD	methyl 6-o-(heptylcarbamoyl)-beta-l-altropyranoside
+CC1(CCN(CC1)Cc2ccc(c(c2)F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C	UZE	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)Oc4ccc(c(c4)OC)OC)\N	UZG	2-[4-(3,4-dimethoxyphenoxy)phenyl]-1h-benzimidazole-6-carboximidamide
+CC1(CCN(CC1)Cc2ccc(cc2F)N3CC(=O)NC4(C3)CCN(CC4)c5cc(ncn5)NC)C	UZH	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
+C1[C@@H]([C@@H](CO[C@H]1O)O)O	UZJ	2-deoxy-beta-d-ribopyranose
+C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3C[C@H]4C[C@H]4C3)C(=O)NCCC5CC5	UZK	(2s)-1-[[(1r,5s)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-n-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide
+c1cc(c(cc1Cl)Cl)[C@@H](CC(=O)NCCCS)CC(=O)NO	UZM	(3s)-3-(2,4-dichlorophenyl)-n~1~-hydroxy-n~5~-(3-sulfanylpropyl)pentanediamide
+CCCC[C@@H](CNC(=O)O)N	UZN	[(2~{s})-2-azanylhexyl]carbamic acid
+CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(cc1Cl)Cl	UZP	(3r)-3-(2,4-dichlorophenyl)-n~1~-hydroxy-n~5~-pentylpentanediamide
+CCCCNC(=O)c1ccc2c(c1)NC(=O)C[C@@H](N2C(=O)c3ccccc3F)C	UZQ	(2s)-n-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=N	UZR	2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate
+C(CCCS)CCC(=O)NO	UZS	n-hydroxy-7-sulfanylheptanamide
+C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(CC3)N)C(=O)NCCC4CC4	UZT	(2s)-1-(4-azanylpiperidin-1-yl)carbonyl-n-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2h-1,5-benzodiazepine-7-carboxamide
+C(CCS)CC(=O)NO	UZV	n-hydroxy-5-sulfanylpentanamide
+c1cc(sc1)c2nnnn2Cc3ccc(cc3)C(=O)NO	UZW	~{n}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide
+C(CCC(=O)NO)CCS	UZY	n-hydroxy-6-sulfanylhexanamide
+[H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)CNC(=O)CNC1=O)Cc2ccccc2)CCCCN)CCCCN	UZZ	1-[(3~{s},6~{s},9~{s},19~{r})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine
+[V+3]	V	vanadium ion
+c1cc(ccc1CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)Nc5ccncn5	V01	n-cyclopropyl-3-oxo-n-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2h-1,4-benzoxazine-7-carboxamide
+CCc1cccc(c1)[C@](c2ccccc2)(c3cccc(c3)O)SCCN	V02	3-[(r)-2-azanylethylsulfanyl-(3-ethylphenyl)-phenyl-methyl]phenol
+c1cc(c(cc1I)F)Nc2c(ccc3c2cn[nH]3)C(=O)NOCCO	V04	4-[(2-fluoro-4-iodophenyl)amino]-n-(2-hydroxyethoxy)-1h-indazole-5-carboxamide
+c1cnc(nc1)c2nnn(n2)Cc3c(cc(cc3F)C(=O)NO)F	V05	3,5-bis(fluoranyl)-~{n}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide
+Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4	V07	7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
+CC(C)[C@H](C=O)[C@H](C(=O)O)O	V08	(2 {r},3 {s})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid
+C[C@H]1[C@H]2CC=C([C@](O2)(O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=C\3/C(=O)C=NC3=O)/O)C)C	V0A	(3e)-3-{(2e,4e,6r)-1-hydroxy-4-methyl-6-[(1r,3r,4s,5r)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2h-pyrrole-2,4(3h)-dione
+Cc1ccc2nc(cn2c1)CNC(=O)C3=CC(=O)N4C=CC=CC4=N3	V0B	n-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide
+CCc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4	V0D	7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
+c1cc(ccc1CC#N)OC[C@H](CN2C=Nc3ccc(cc3C2=O)Cl)O	V0E	2-[4-[(2s)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile
+CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl	V0G	n-(3-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide
+c1cc(ccc1OCC#N)OC[C@H](CN2C=Nc3ccc(cc3C2=O)Cl)O	V0H	2-[4-[(2s)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile
+CCCCN(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)C(=O)N4CCN([C@H](C4)C(=O)O)C(=O)C(C)(c5ccccc5)c6ccccc6	V0J	(2r)-4-(butyl{[2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid
+CC1=CC=C(C(=O)N1Cc2ccc(c(c2)F)F)C(=O)N[C@H](c3ccccc3)C(=O)Nc4ccc5c(c4)/C(=C\c6cnc[nH]6)/C(=O)N5	V0K	1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{n}-[(1~{r})-2-[[(3~{e})-3-(1~{h}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{h}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide
+C[C@@H](c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3	V0L	volitinib
+c1ccc2c(c1)CC(C2)(C(=O)O)NC(=O)Cc3ccccc3Nc4c(cccc4Cl)Cl	V0M	2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1h-indene-2-carboxylic acid
+CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2ccc(cc2)F)CO)O)O	V0N	2-[(2r,3s,4r,5r)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-n-methyl-ethanamide
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)OCCNCc4cccc(n4)N	V0P	7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine
+CCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)CO	V0Q	[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol
+CNC1CCC(CC1)N(Cc2cccc(c2)c3ccncc3)C(=O)c4c(c5ccccc5s4)Cl	V0S	3-chloro-n-[trans-4-(methylamino)cyclohexyl]-n-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide
+c1cc(ccc1CO)S(=O)(=O)N2CCC(CC2)O	V0T	1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol
+C/C(=C(/O)\SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)O	V0V	(3s,5r,9r,19e)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name)
+Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)C	V0W	1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
+CN1C(=O)C(=C(N=C1N2CCC(CC2)N)c3ccc(c(c3)F)C#N)c4ccc(c(c4)F)OC	V0Y	4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile
+CSC[C@@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	V10	n^6^-[(1r)-2-[(1r)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine
+c1ccc(cc1)[C@H](CN2[C@H]3CC[C@@H]2CC(C3)OC(=O)c4ccccc4)O	V11	[(1s,5r)-8-[(2r)-2-hydroxy-2-phenyl-ethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate
+c1ccc2c(c1)[nH]c(n2)CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O	V12	5'-[(1h-benzimidazol-2-ylacetyl)amino]-5'-deoxycytidine
+C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O	V13	2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	V14	3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+c1ccc(cc1)CCC2=CC(=O)NC(=N2)N	V15	2-amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
+CCCCc1ccc(c(c1)C)N/C=N\O	V16	n-(4-butyl-2-methylphenyl)-n'-hydroxyimidoformamide
+c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCC(CC5)N6CCCC6	V17	(4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone
+c1ccc2c(c1)cncc2N3C(=O)C4(CC(C4)C5CCC5)NC3=O	V18	2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione
+CC1(C(=NC(N1[O])(C)C)SS(=O)(=O)C)C	V1A	s-(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1h-imidazol-4-yl) methanesulfonothioate
+c1ccc(cc1)C2CC3(C2)C(=O)N(C(=O)N3)c4cncc5c4cccc5	V1B	7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione
+CN1CC(C1)C(=O)N[C@@H](CCCCCC(c2ccon2)(O)O)c3[nH]cc(n3)c4ccccc4F	V1D	n-[(1s)-1-[4-(2-fluorophenyl)-1h-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide
+Cc1ccc(cc1)S(=O)(=O)N(C)C	V1E	~{n},~{n},4-trimethylbenzenesulfonamide
+c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)NCc3ccccc3	V1F	3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide
+CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)NC(=O)[C@@H]5C[C@@H]5F)C)CO	V1G	(1s,2s)-n-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1h)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide
+Cc1ccc(cc1)S(=O)(=O)N2CC(C2)OC	V1H	3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine
+C(CO)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	V1J	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol
+Cc1ccc(cc1)S(=O)(=O)n2c3cc(ccc3nc2Cl)OC	V1K	2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole
+C1CCNC(=O)C1	V1L	piperidin-2-one
+Cc1cc(ccc1OCc2ccc(nc2)C(=O)OC)OC	V1M	methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate
+c1ccc2c(c1)c(c[nH]2)CCOP(=O)(O)O[C@H]3[C@@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O	V1N	[(2s,3r,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl] 2-(1h-indol-3-yl)ethyl hydrogen phosphate
+CCC(CCCCC[C@@H](c1c(nc([nH]1)c2ccccc2)C(=O)N)NC(=O)C3CN(C3)C)(O)O	V1P	5-{(1s)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1h-imidazole-4-carboxamide
+Cc1ccc(cc1)S(=O)(=O)Nc2ccn(n2)C	V1Q	4-methyl-~{n}-(1-methylpyrazol-3-yl)benzenesulfonamide
+CCC(CCCCC[C@@H](c1c([nH]c(n1)c2ccc(cc2)F)C#N)NC(=O)[C@H]3CC34CCN(CC4)C)(O)O	V1S	(1s)-n-{(1s)-1-[5-cyano-2-(4-fluorophenyl)-1h-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
+CN1c2ccc(cc2N(C1=O)C)C(=O)N	V1T	1,3-dimethyl-2-oxo-2,3-dihydro-1h-benzimidazole-5-carboxamide
+CCC[C@@H]([C@@H](C(=O)O)O)N	V1V	(2s,3s)-3-amino-2-hydroxyhexanoic acid
+c1ccc(cc1)CC2=Nc3c4ccc(cc4ccc3N5C2=N[C@@](C5=O)(Cc6ccc(cc6)O)OO)O	V1W	v-coelenterazine
+Cc1ccc2c(c1NC(=O)c3csc4c3ncnc4N)ccnc2Nc5cccc(c5F)Cl	V1Y	4-amino-n-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide
+CSC[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	V20	n6^-[(1r)-2-[(1s)-1-carboxy-2-(methylsulfanyl)ethoxy]-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine
+CSC1=S=Nn2c1nc3c2cc(cc3)S(=O)(=O)N	V21	3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide
+c1cc2nc(cn2cc1CNCC3CCCCC3)CNC(=O)C4=CC(=O)[N]5=CC=CC=C5N4	V22	~{n}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{h}-pyrido[1,2-a]pyrimidine-2-carboxamide
+CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4	V24	n-[([1,1'-biphenyl]-4-yl)sulfonyl]-n-({1-[3,4,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-1h-1,2,3-triazol-4-yl}methyl)-d-valine
+CCOC(=O)c1c(c2ccc(c(c2n1C)Cl)Cl)/C(=C\N)/C#N	V25	ethyl 3-[(e)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1h-indole-2-carboxylate
+CNc1c(c(c(c(c1S(=O)(=O)CCc2ccccc2)F)F)S(=O)(=O)N)F	V26	2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide
+CC(=O)N1CCC(CC1)C(=O)N2C[C@H]([C@@](C2)(C)c3ccccc3)c4ccc(cc4)C(C(F)(F)F)(C(F)(F)F)O	V27	1-(4-{(3s,4s)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one
+CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4	V28	n-({1-[2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl]-1h-1,2,3-triazol-4-yl}methyl)-n-[([1,1'-biphenyl]-4-yl)sulfonyl]-d-valine
+CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N	V2A	neoseptin 3
+CCOc1ccccc1Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)C(=O)OC	V2C	methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 h-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate
+Cc1c(cccc1OCc2c(cccn2)C(=O)OC)O	V2D	methyl 2-[(3-hydroxy-2-methylphenoxy)methyl]pyridine-3-carboxylate
+c1cc(c(cc1C=O)N2CCOCC2)[N+](=O)[O-]	V2E	3-morpholin-4-yl-4-nitro-benzaldehyde
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NCC(=O)O)O)O)O)N	V2G	2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid
+CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	V2H	(1s,3r,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CC[C@@H](C4)C(=O)O)O)O)O)N	V2J	5'-o-[(s)-[(3s)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine
+Cc1nc2cc(ccc2n1c3ccc(cc3)C=O)OC	V2K	4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC	V2M	n-[(2s)-1-({(2s)-4-hydroxy-3-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+Cc1nc2ccc(cc2n1c3ccc(cc3)C=O)OC	V2N	4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CCC[C@H]4C(=O)O)O)O)O)N	V2P	(2~{s})-1-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]pyrrolidine-2-carboxylic acid
+COC1CN(C1)C(=O)c2ccc(cc2)C=O	V2Q	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde
+c1ccc(cc1)C[C@@H](C(=O)O)NP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	V2S	(2~{s})-2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-phenyl-propanoic acid
+Cn1ccc(n1)NC(=O)c2ccc(cc2)C=O	V2T	4-methanoyl-~{n}-(1-methylpyrazol-3-yl)benzamide
+C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H](C(O2)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O	V2V	cdp-ribitol
+COc1ccc(cc1)CNC(=O)c2ccc(cc2)C=O	V2W	4-methanoyl-~{n}-[(4-methoxyphenyl)methyl]benzamide
+CCCC1=NC(=CNC1=O)c2cccnc2	V2Z	3-propyl-5-(3-pyridyl)-1h-pyrazin-2-one
+Cc1c(sc2c1C(=O)NC(=N2)SCC(=O)NCCO)C	V30	2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-n-(2-hydroxyethyl)acetamide
+c1ccc(cc1)CS(=O)(=O)Nc2ccc(cc2C(=O)O)Br	V31	5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid
+c1cc(ccc1C=O)C(=O)N2CCOCC2	V32	4-morpholin-4-ylcarbonylbenzaldehyde
+CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c([nH]2)cccc3OC	V34	ethyl (2e,4s)-4-{[n-(4-methoxy-1h-indole-2-carbonyl)-l-leucyl]amino}-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
+[B-]([C@@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O	V35	d-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid
+[B-]([C@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O	V36	l-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid
+c1ccc(cc1)CCN2[C@@H]3CC[C@H]2CC(C3)OC(=O)c4ccccc4	V37	[(1r,5s)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate
+C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)c3ccccc3)C[C@@H](c4ccccc4)O	V38	[(1r,5s)-8-[(2r)-2-hydroxy-2-phenyl-ethyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate
+Cc1c(cccc1OCc2cccc(n2)CO)O	V39	3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O)O)O)O)N	V3A	9-{2-deoxy-5-o-[(r)-{[(r)-[(r)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-erythro-pentofuranosyl}-9h-purin-6-amine
+CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(cc2)C=O	V3B	4-(4-methanoylphenyl)carbonyl-~{n},~{n}-dimethyl-piperazine-1-carboxamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c2ccccc2C#N)NC(=O)c3cc4c([nH]3)cccc4OC	V3D	(3s)-3-{[n-(4-methoxy-1h-indole-2-carbonyl)-l-leucyl]amino}-2-oxo-4-[(3s)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate
+CCCCOC(=O)[C@H]([C@@H]1[NH2+][C@H](C(S1)(C)C)C(=O)O)NC(=O)c2c(onc2c3ccccc3)C	V3H	(2r,4s)-2-[(1r)-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid
+c1cc2c(cc1C(=O)N3CCOCC3)nns2	V3J	(4,7-dihydro-2h-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone
+Cn1cc(cn1)CNC(=O)c2ccc(cc2)C=O	V3K	4-methanoyl-~{n}-[(1-methylpyrazol-4-yl)methyl]benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N	V3L	2'-o-(5-o-phosphono-alpha-d-ribofuranosyl)adenosine 5'-(dihydrogen phosphate)
+C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O	V3M	2-deoxy-2-fluoro-alpha-d-arabinofuranose
+c1cc(ccc1C=O)C(=O)NCC2CCOCC2	V3N	4-methanoyl-~{n}-(oxan-4-ylmethyl)benzamide
+c1cc(ccc1S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)S)O)O)I	V3P	4-iodophenyl 1,4-dithio-beta-d-glucopyranoside
+COc1cccc(c1)CNC(=O)c2ccc(cc2)C=O	V3Q	4-methanoyl-~{n}-[(3-methoxyphenyl)methyl]benzamide
+CC(C)n1cnnc1c2cccc(n2)NC(=O)[C@H]3CCCCO3	V3S	(2r)-n-{6-[4-(propan-2-yl)-4h-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide
+Cn1ccnc1CNC(=O)c2ccc(cc2)C=O	V3T	4-methanoyl-~{n}-[(1-methylimidazol-2-yl)methyl]benzamide
+CC1=C([C@@H](N=C(N1)Nc2nc3ccc(cc3o2)F)c4ccccc4Cl)C(=O)Nc5cc(ccn5)C(=O)O	V3V	2-({(4r)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid
+COC1CCN(CC1)C(=O)c2ccc(cc2)C=O	V3W	4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde
+CC(C)S(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O	V3Z	(5-methanoyl-2-nitro-phenyl) propane-2-sulfonate
+[H]/N=C(/[C@H](C(=O)N)/N=N/c1ccccc1)\N	V41	(2r,3z)-3-amino-3-imino-2-[(e)-phenyldiazenyl]propanamide
+Cn1cc(cn1)S(=O)(=O)Oc2cc(ccc2[N+](=O)[O-])C=O	V42	(5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate
+Cn1ccnc1C(CSC[C@@H](C(=O)O)N)c2nccn2C	V44	s-[2,2-bis(1-methyl-1h-imidazol-2-yl)ethyl]-l-cysteine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)N2CC(OC2=O)Cc3cccc(c3)Cl	V45	(2s)-2-{(5s)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-n-{(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide
+c1cc(cc(c1)C(=O)O)C(=O)CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	V47	9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-d-ribo-heptodialdo-1,4-furanosyl]-9h-purin-6-amine
+COc1cccc(c1)CC(=O)Oc2cc(ccc2[N+](=O)[O-])C=O	V48	(5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate
+c1ccc2c(c1)nc(s2)Sc3c(c(c(c(c3F)F)S(=O)(=O)N)F)F	V49	4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
+C1=CC2=[N](C=C1)[Pt+2]3([N]4=C(C=CC=C4)C5=[N]3N=C6N5C=CC=C6)[N]7=C2N8C=CC=CC8=N7	V4A	platinum(ii) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine]
+Cc1c(ccc(n1)C(F)(F)F)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O	V4B	[5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
+c1cc(ccc1Nc2nc(nc(n2)Oc3ccc4c(c3)cc[nH]4)N)S(=O)(=O)N	V4D	4-({4-amino-6-[(1h-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O	V4E	thiamine triphosphate
+c1cc(ccc1C=O)C(=O)N2CCC[C@H](C2)O	V4H	4-[(3~{r})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde
+CC[C@H](CCCOCCOC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O	V4J	2-{[(4r)-4-hydroxyhexyl]oxy}ethyl 5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoate
+c1cc(ccc1C=O)C(=O)N2CCC(CC2)CCO	V4K	4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde
+c1cc(ccc1C(C(=O)NCc2ccc3c(c2)CN(C3=O)[C@H]4CCC(=O)NC4=O)(F)F)Cl	V4M	2-(4-chlorophenyl)-n-({2-[(3s)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1h-isoindol-5-yl}methyl)-2,2-difluoroacetamide
+c1cc(cc(c1)Cl)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O	V4N	(5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate
+[O-][V]1(=O)O[V](=O)(O[V](=O)(O[V](=O)(O1)[O-])[O-])[O-]	V4O	cyclo-tetrametavanadate
+CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)NC(=O)c5cccc6c5nccn6	V4Q	n-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
+C[C@@H]1CN2c3c4c(c(c(c(c4OCC[C@H]2CN1C(=O)C=C)Cl)c5c(cccc5F)O)F)ncn3	V4T	1-[(4r,7s)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2
+c1ccnc(c1)CNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N	V4V	7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+C([C@@H]([C@@H](C=O)O)O)C(=O)C(=O)O	V4W	4-deoxy-l-erythro-hex-5-ulosuronic acid
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCc4cccc(n4)N	V4Y	7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+C[C@@H](c1ccc(cn1)F)Nc2ncc(c(n2)Nc3cc(n[nH]3)OC(C)C)Cl	V4Z	5-chloranyl-n2-[(1s)-1-(5-fluoranylpyridin-2-yl)ethyl]-n4-(3-propan-2-yloxy-1h-pyrazol-5-yl)pyrimidine-2,4-diamine
+Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C	V50	4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide
+C1C2CC3CC1CC(C2)(C3)Nc4c(c(c(c(c4F)F)S(=O)(=O)N)F)F	V51	4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
+CCC(=O)N1CCN2c3c4c(cc(c(c4OC[C@@H]2C1)Cl)c5c(ccc6c5c[nH]n6)C)ncn3	V52	1-[(7s)-11-chloro-12-(5-methyl-1h-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCc4cccc(n4)N	V54	7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+COc1cc(ccc1O)C=O	V55	4-hydroxy-3-methoxybenzaldehyde
+CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCCC[C@H](OC(=O)N1)c2cccc(c2)Cl)CO	V56	(4s,7s,17s)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione
+c1ccnc(c1)CCNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N	V57	7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[V](=O)O)O)O)N	V5A	adenosine-5'-vanadate
+COS(=O)(=O)O	V5B	methyl sulfate
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCCCCc4cccc(n4)N	V5D	7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
+c1cc(cc(c1)Nc2ncc(c(n2)NCCc3cnc[nH]3)Br)CN4CCOCC4	V5E	5-bromo-4-n-[2-(1h-imidazol-5-yl)ethyl]-2-n-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
+c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CCc4cccc(n4)N	V5G	7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine
+Cc1cc(c(cc1c2cc3c(nc2)C(=O)N(N=C3)C)NC(=O)c4cccc(c4)C(C)(C)C#N)F	V5J	3-(2-cyanopropan-2-yl)-n-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide
+COc1cc(ccc1O)/C=C/c2cc(cc(c2O)OC)/C=C/C(=O)O	V5M	(2e)-3-{4-hydroxy-3-[(e)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoic acid
+c1c([nH]cn1)[C@H]([C@@H](C(=O)O)N)O	V5N	(2s,3s)-2-azanyl-3-(1h-imidazol-5-yl)-3-oxidanyl-propanoic acid
+COc1cc(ccc1O)/C=C/c2ccc(c(c2)OC)O	V5P	lignostilbene
+COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)n4nc(nn4)c5cc(c(cc5NC(=O)C6CC(=O)c7ccccc7O6)OC)OC	V5Q	~{n}-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{h}-isoquinolin-2-yl)ethyl]phenyl]-1,2,3,4-tetrazol-5-yl]-4,5-dimethoxy-phenyl]-4-oxidanylidene-2,3-dihydrochromene-2-carboxamide
+c1cc(ccc1NCCO)Br	V5S	2-[(4-bromophenyl)amino]ethan-1-ol
+c1nc2c3c(n1)n(cn3)[C@H]4[C@@H]([C@H]5[C@H](O4)CO[P@](=O)(O[C@@H]6[C@@H](CO[P@@](=O)(O5)S)O[C@H]([C@@H]6F)n7cnc8c7ncnc8NC/C=C/CN2)S)F	V5V	(1r,3r,15e,28r,29r,30r,31r,34r,36r,39s,41r)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name)
+c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl	V5W	4-(cyclopentylamino)-2-[(2,5-dichlorophenyl)methylamino]-n-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
+Cc1c(c2cc(ccc2[nH]1)OC)CC(=O)N[C@H](CCCCCC(=O)NO)C(=O)NCCc3c4ccccc4[nH]c3c5ccccc5	V5X	(2r)-n~8~-hydroxy-2-{[(5-methoxy-2-methyl-1h-indol-3-yl)acetyl]amino}-n~1~-[2-(2-phenyl-1h-indol-3-yl)ethyl]octanediamide
+C[N+](C)(C)c1ccc(cc1)N2C(=N/C(=C\c3cc(c(c(c3)OC)O)OC)/C2=O)/C=N\O	V5Z	dmhbo+
+C(c1c(c(c(c(c1F)F)I)F)F)[C@@H](C(=O)O)N	V61	2,3,5,6-tetrafluoro-4-iodo-l-phenylalanine
+Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCCC3)C(=O)NCCCN4CCOC4=O)Br	V62	2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-n-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
+c1ccc(cc1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3	V63	[(1r,5s)-8-azabicyclo[3.2.1]octan-3-yl] benzoate
+CC(C)(C)OC(=O)N[C@H]1CCc2nnc(o2)CCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC1=O)CC3CCCCC3)CO	V64	tert-butyl [(4s,7s,10s)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate
+c1cc(ccc1CN(c2nc(nc(n2)N3CCOCC3)C(=O)N)C4CCCCC4)Cl	V65	4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
+CC(C)(C)OC(=O)N[C@H]1CCc2nnc(o2)CCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC1=O)CC3CCCCC3)CO	V66	tert-butyl [(4s,7s,10s)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate
+c1cc(nnc1C(=O)Nc2cc(c(cc2C(=O)O)F)F)n3ccnc3	V67	4,5-difluoro-2-{[6-(1h-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid
+CC(C)COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N	V68	1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
+CCCCC[C@@H]1CCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)O1)CC(C)C)CO	V69	(4s,7s,17r)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione
+c1cnc(cn1)NNC(=O)CCn2cnc(n2)c3cc(cc(c3)C(F)(F)F)C(F)(F)F	V6A	selinexor, bound form
+Cc1cc(c(cc1Br)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Br	V6B	2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-n-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
+C[C@H]1C/C(=C/C=C\C(=O)O[C@@H](Cc2nc(cs2)CC[C@H](CC(=O)O1)N)/C=C(\C)/C=C/C(=C/CN(C)C)/C)/C	V6D	(3s,6z,8e,11s,15r)-15-amino-3-[(1e,3e,5e)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione
+c1cc(c(cc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)Cl)Cl	V6E	4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-n-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
+CC(=O)N1C[C@@H](C[C@H]1C(=O)NC)O	V6F	(4r)-1-acetyl-4-hydroxy-n-methyl-l-prolinamide
+Cc1cc(cc(c1F)C)n2c(c3c(n2)CCN([C@H]3C)C(=O)c4cc5cc(ccc5n4[C@]6(C[C@@H]6C)C7=NOC(=O)N7)[C@H]8CCOC(C8)(C)C)N9C=CN(C9=O)c1ccc2c(c1F)cnn2C	V6G	3-[(1s,2s)-1-(5-[(4s)-2,2-dimethyloxan-4-yl]-2-{(4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carbonyl}-1h-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4h)-one
+c1cc(c(cc1F)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)F	V6H	2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-n-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
+Cc1cccc2c1[nH]c(c2c3ccccc3)C(=O)O	V6M	7-methyl-3-phenyl-1h-indole-2-carboxylic acid
+c1ccc(cc1)Oc2cccc(c2)O	V6P	3-phenoxyphenol
+c1cc(cc(c1)Oc2ccc(cc2)C(=O)O)O	V6S	4-(3-hydroxyphenoxy)benzoic acid
+CC1=N/C(=C\c2cc(c(c(c2)OC)O)OC)/C(=O)N1c3ccc(cc3)[N+](C)(C)C	V6T	dmhbi+
+Cc1c2cc(ccc2[nH]c1C(=O)O)Br	V6V	5-bromo-3-methyl-1h-indole-2-carboxylic acid
+c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)OCc4cccc(c4)Oc5ccc(cc5)C(=O)O	V6Y	3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1h-indole-2-carboxylic acid
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CN)F)O)N)O)O)N	V71	(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-d-galactopyranoside
+c1ccc2c(c1)c(c([nH]2)C(=O)O)c3cccc(c3)COCc4cccc(c4)Oc5ccc(cc5)C(=O)O	V74	3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1h-indole-2-carboxylic acid
+CC(=O)O[C@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)O)C(=O)O	V75	(2~{s},3~{s},4~{s},5~{s})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid
+CCCCCCC[C@@H](c1ccc(cc1)Cl)OCC(=O)O	V77	{[(1s)-1-(4-chlorophenyl)octyl]oxy}acetic acid
+CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)[C@@H]4CC=S=C4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O	V78	methyl n-[(2s)-1-[2-[[4-[(3s)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3z,8s,11r)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
+CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)CN(C)OC	V7A	sarecycline
+CC(C)CCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)OC(=O)CCCCCCCCCCC(C)C	V7B	[(2~{s})-3-[(2~{r},3~{r},4~{r},5~{s},6~{r})-6-(hydroxymethyl)-5-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(12-methyltridecanoyloxy)propyl] 12-methyltridecanoate
+CCC(C(=O)NCC(=O)O)O[P@@](CCC(C(=O)O)(N)N)Oc1ccccc1	V7D	2,2-diamino-4-[(s)-({(2s)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](c2nc3ccccc3s2)O)NC(=O)c4cc5c([nH]4)cccc5OC	V7G	n-[(2s)-1-({(1s,2s)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+c1ccc(cc1)CNC(=O)c2ccccc2CNCc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	V7H	(2s)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(phenylmethyl)carbamoyl]phenyl]methylamino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+c1cc(c2c(c1[N+](=O)[O-])non2)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N	V7K	(2~{s})-2-azanyl-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
+Cc1cc(cc(c1)F)C	V7M	1-fluoro-3,5-dimethylbenzene
+C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\C=C\C=C(/C)\C=C\CC(C)(C)OC)/C=O)\C)/CC/C=C(\C)/C=C/C=C(\C)/C(=O)O	V7N	(2~{e},4~{e},6~{e},10~{e},12~{e},14~{e},16~{e},18~{e},20~{e},22~{z},24~{e},26~{e},28~{e})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid
+O=[V](=O)O([V](=O)O[V](=O)(=O)O[V](=O)(=O)[O@@]([V](=O)=O)[V](=O)(=O)=O)[V](=O)(=O)=O	V7O	meta vanadate
+c1cc2c(cc1F)c(ccn2)C[C@@H](C=O)N	V7P	(2s)-2-amino-3-(6-fluoroquinolin-4-yl)propanal
+c1cc(c2c(c1)nsn2)CN	V7Q	2,1,3-benzothiadiazol-4-ylmethanamine
+CSCc1cccc(c1)CSC	V7S	1,3-bis[(methylsulfanyl)methyl]benzene
+[H]/N=C(\N)/N[C@H](CCCCN)C(=O)O	V7T	(2r)-6-azanyl-2-carbamimidamido-hexanoic acid
+c1cc(cc(c1)c2[nH]nnn2)c3cccc(c3)C(=O)O	V7V	3-[3-(1~{h}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid
+c1cc(sc1)[C@H]2N[C@@H](CS2)C(=O)O	V7W	(2s,4r)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
+C[C@@H](C1=Cc2cccc(c2C(=O)N1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N	V7Y	2-amino-n-[(1s)-1-{8-[(1-methyl-1h-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+C[C@@H](C1CC1)N2Cc3cc(cc(c3C2=O)C(F)(F)F)c4ccn5c(n4)c(c(n5)N)c6cnn(c6)C	V81	5-[2-amino-3-(1-methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1s)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1h-isoindol-1-one
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(CC3)C(=O)OCn4cc(nn4)CNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O)NC(=O)c7cccc(c7O)O	V82	[4-[[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{s})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{s})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate
+Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4ccn5c(n4)c(c(n5)N)C(=O)NC6CC(C6)O	V84	2-amino-5-{2-[(1s)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1h-isoindol-5-yl}-n-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
+c1ccc(cc1)C[C@H](C(=O)Nc2ccccc2)S	V85	(2r)-n,3-diphenyl-2-sulfanyl-propanamide
+c1ccc(cc1)CCCCNC=O	V87	n-(4-phenylbutyl)formamide
+c1c2c3c4c(cc(c3C(=O)N(C2=O)CCCN5CCOCC5)NCCCN6CCOCC6)C(=O)N(C(=O)c4c1NCCCN7CCOCC7)CCCN8CCOCC8	V8A	2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
+Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O	V8B	6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{h}-pyrrolo[1,2-a]pyrazin-1-one
+CCOC(=O)c1cncn1[C@H](C)c2ccccc2	V8D	ethyl 1-[(1r)-1-phenylethyl]-1h-imidazole-5-carboxylate
+CCCCC1CCC(CC1)C(=O)O	V8G	trans-4-butylcyclohexane-1-carboxylic acid
+C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)O)O)O)O)O	V8H	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonyl-4~{h}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+C[C@H](CC/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O	V8K	dolichylphosphate
+c1cc(c(cc1N(=O)=O)CCNC(=O)CCCC[C@H]2[C@@H]3C(CS2)NC(=O)N3)O	V8M	n-[2-(2-hydroxy-5-nitrophenyl)ethyl]-5-[(3as,4s,6as)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanamide
+c1cc(cc(c1)CN)CC(=O)O	V8N	2-[3-(aminomethyl)phenyl]ethanoic acid
+CCCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCC)O)O	V8P	(3r)-n-[(2s,3r)-1-(alpha-d-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide
+C1C[C@H](NC1)[C@H](N)O	V8W	(r)-azanyl-[(2s)-pyrrolidin-2-yl]methanol
+c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCC(=O)O	V8Y	7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid
+C/C/1=C\CC(C=CC/C(=C/CC1)/C)(C)C	V8Z	(1e,4e,8e)-2,6,6,9-tetramethyl-1,4-8-cycloundecatriene
+C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F	V90	2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
+c1cc(sc1C(=O)N2CC(C2)c3nccs3)NC(=O)[C@@H]4CCCN4	V91	n-(5-{3-[(2s)-1,3-thiazolidin-2-yl]azetidine-1-carbonyl}thiophen-2-yl)-l-prolinamide
+COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3	V95	methyl n-(6-benzoyl-1h-benzimidazol-2-yl)carbamate
+c1cc(sc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	V97	n-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-l-glutamic acid
+c1ccc(cc1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5	V98	~{n}4-[(4-chlorophenyl)methyl]-~{n}4-cyclopentyl-~{n}1-(phenylmethyl)-~{n}1-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide
+c1cc(oc1CCCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	V9A	n-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-l-glutamic acid
+CCC(=O)c1cc([nH]c1)C(=O)NC	V9B	n-methyl-4-propanoyl-1h-pyrrole-2-carboxamide
+c1ccc(cc1)CCNC(=O)O	V9C	2-phenylethylcarbamic acid
+c1cc(cc(c1)C(=O)NO)C(=O)NO	V9D	n~1~,n~3~-dihydroxybenzene-1,3-dicarboxamide
+CN1C=[N](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OC)O)O)O	V9G	7-methyl-guanosine-5'-triphosphate-5'-(2'-o-methyl)-adenosine
+C[C@@H](c1ccccc1)n2c(cc(n2)C(=O)NC)C(=O)NC3CCC(CC3)O	V9H	3n-methyl-5n-(4-oxidanylcyclohexyl)-1-[(1s)-1-phenylethyl]pyrazole-3,5-dicarboxamide
+c1cc(ccc1c2c3ccc(cc3sc2Oc4ccc(cc4)O)O)F	V9J	3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol
+C[C@@H](c1ccccc1)c2c(cc(o2)C(=O)NC)C(=O)NC3CCC(CC3)O	V9K	2n-methyl-4n-(4-oxidanylcyclohexyl)-5-[(1s)-1-phenylethyl]furan-2,4-dicarboxamide
+C[C@@H](CC[NH+](C)[C@@H](C(C)C)C(=O)O)CC(C)(C)C	V9M	(3r)-n-[(1s)-1-carboxy-2-methylpropyl]-n,3,5,5-tetramethylhexan-1-aminium
+C[C@]1(COc2c1cc(cc2C(=O)NC)C(=O)NC3[C@H]4[C@@H]3COC4)c5ccccc5	V9N	(3s)-n7,3-dimethyl-n5-[(1r,5s)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2h-1-benzofuran-5,7-dicarboxamide
+CNC(=O)c1cc(cc2c1OC[C@H]2c3cccc4c3cc[nH]4)C(=O)NC5[C@H]6[C@@H]5COC6	V9Q	(3s)-3-(1h-indol-4-yl)-n7-methyl-n5-[(1r,5s)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
+c1ccc(cc1)CCOc2ccc(nc2C(=O)O)c3ccc4c(c3)/C(=N/Nc5nc(cs5)C(=O)NCc6ccccc6)/CCC4	V9S	6-[(8e)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid
+CNc1cc(ncn1)N2CCC[C@](C2)(CNC(=O)c3ccc(cc3O)CN4CC5([C@@H]4C6CC6)CCC5)O	V9T	4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-n-[[(3r)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide
+c1cc(sc1CCCc2cc3c(s2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	V9V	n-(5-{3-[(1s,7r,8r,9s)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-l-glutamic acid
+CC1(CCN(CC1)Cc2ccc3c(c2)nc([nH]3)C[C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C	V9W	(3~{r})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{h}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol
+c1cc(oc1C(=O)NO)C(=O)NO	V9Y	n~2~,n~5~-dihydroxyfuran-2,5-dicarboxamide
+Cc1cc(cc(c1OC)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC	V9Z	n-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide
+CCCCCC\C=C/CCCCCCCCCCOC(=O)C	VA	(z)-octadec-11-enyl acetate
+B(c1cc2cc(ccc2s1)CN(C=O)C=O)(O)O	VA1	{5-[(diformylamino)methyl]-1-benzothien-2-yl}boronic acid
+[O-]=[V]([O])(O[V](=O)=O)O[V](=O)=O	VA3	trivanadate
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O)N	VA4	5'-o-[(r)-{[(r)-[(r)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@H](O3)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O)N	VA5	9-{5-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-d-threo-pentofuranosyl}-9h-purin-6-amine
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O)N	VA6	9-{2-deoxy-5-o-[(s)-{[(s)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-d-erythro-pentofuranosyl}-9h-purin-6-amine
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)N	VA7	2'-deoxy-5'-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
+CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5cccc6c5[nH]cn6)O)C	VA8	~{n}-[[(3~{r})-1-[6-(3~{h}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide
+CC(C)[C@@H](C(=O)NS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	VAA	n-[valinyl]-n'-[adenosyl]-diaminosufone
+C=CCSc1nc2ccc(cc2s1)NC(=O)CCC(=O)O	VAB	4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid
+c1ccc(cc1)C[C@H](CC(C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	VAC	n,n-bis(2-hydroxy-1-indanyl)-2,6- diphenylmethyl-4-hydroxy-1,7-heptandiamide
+CC(C)[C@H](C(=O)O)O	VAD	deaminohydroxyvaline
+c1ccc(cc1)/C=C(\C(=O)O)/Oc2cccc(c2O)C(=O)O	VAE	3-{[(e)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid
+CC(C)[C@@H](C(=O)C)N	VAF	methylvaline
+CC[C@H]([C@@H](C(=O)O)N)O	VAH	(3r)-3-hydroxy-l-norvaline
+CC(C)[C@@H](C(O)O)N	VAI	(2s)-2-amino-3-methylbutane-1,1-diol
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O	VAJ	[1,1'-biphenyl]-3,4'-dicarboxylic acid
+CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O)O	VAK	methyl (1r,2r,4s)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
+CC(C)[C@@H](C(=O)O)N	VAL	valine
+CC(C)[C@@H](C(=O)[O-])[NH-]	VAL_LEO2	l-valine c-terminal deprotonated fragment
+CC(C)[C@@H](C(=O)O)[NH-]	VAL_LEO2H	l-valine c-terminal protonated fragment
+CC(C)[C@@H](C(=O)O)N	VAL_LFOH	l-valine free neutral
+CC(C)[C@@H](C(=O)[O-])[NH3+]	VAL_LFZW	l-valine free zwitterion
+CC(C)[C@@H]([C-]=O)[NH-]	VAL_LL	l-valine - linking embedded fragment
+CC(C)[C@@H]([C-]=O)[NH3+]	VAL_LSN3	l-valine n-terminal protonated fragment
+c1cc(c(cc1C#N)c2cc(ccn2)C(=O)O)O	VAO	2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid
+CC1=CC(=O)N(c2c1cc(c(c2OC)OC)OC)C	VAP	6,7,8-trimethoxy-1,4-dimethylquinolin-2(1h)-one
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4O)CN5CC6([C@@H]5C7CC7)CCC6)O	VAQ	4-[[(3s)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-n-[[(3r)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+c1cnc(n2c1c(c3c2nccc3O)c4ccnc(n4)N)N	VAR	9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol
+CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O	VAS	(2s,4s,5s)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid
+c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)CCCC6)O	VAT	4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+C[C@]1(C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O)O	VAU	(1~{r},3~{r},4~{s},5~{r})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid
+COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CCNCCc2c[nH]c3c2cccc3)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	VAW	(2s,3r,4s)-methyl 4-(2-(2-(1h-indol-3-yl)ethylamino)ethyl)-2-((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)-3-vinyl-3,4-dihydro-2h-pyran-5-carboxylate
+C[C@@](c1cccc(n1)Br)(c2cc(sc2)C(=O)c3cncnc3N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N)O	VAY	{(1r,2r,3s,4r)-4-[(5-{4-[(1s)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate
+CS[C@@H]([C@H](C(=O)O)OC(=O)[C@H](C[S@H]=O)NC(=O)CCC[C@@H](C(=O)O)N)O	VAZ	n^6^-{(1r)-2-{[(1s,2r)-1-carboxy-2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-1-[(oxidosulfanyl)methyl]-2-oxoethyl}-6-oxo-l-lysine
+CC[C@@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	VB1	n^6^-[(1r)-2-{[(1s)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-l-lysine
+CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@]3(CCCN(C3)c4cc(ncn4)NC)O)C	VB2	4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{n}-[[(3~{s})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide
+C[C@@H](CC1CCCCC1)NCc2ccccc2O	VB3	2-({[(2s)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](Cc2c[nH]c3c2cccc3)C(=O)O)O	VB4	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-d-tryptophan
+CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C	VB5	4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{n}-[[(3~{r})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide
+c1ccc2c(c1)CCO[C@H]2c3cc(sc3)C(=O)c4cncnc4N[C@@H]5C[C@@H]([C@H](C5)O)COS(=O)(=O)N	VB7	{(1r,2s,4r)-4-[(5-{4-[(1r)-3,4-dihydro-1h-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate
+CC1(CCN(CC1)Cc2ccc(c(c2)SC)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C	VB8	4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{n}-[[(3~{r})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
+c1ccc(cc1)Cn2ccc(n2)C(=O)c3cncnc3N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)COS(=O)(=O)N	VBA	[(1r,2r,3s,4r)-4-{[5-(1-benzyl-1h-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate
+c1cc(cc(c1)C(=O)O)c2ccc(cc2)N	VBC	3-(4-aminophenyl)benzoic acid
+C[C@H]1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C	VBD	(7s)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5h)-one
+CC1=CC(=CN(C1=O)C)C(=O)N(C[C@@H](C)c2ccccc2)CC(=O)NC	VBE	1,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-n-[(2s)-2-phenylpropyl]pyridine-3-carboxamide
+CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)OCc4c(cccc4F)C#N)S(=O)(=O)c5ccc(cc5)F	VBG	2-({[2-(4-{(3r)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile
+CC1=CC(=CN(C1=O)C)C(=O)N(CC(c2ccccc2)c3ccccc3)CC(=O)NC	VBH	n-(2,2-diphenylethyl)-1,5-dimethyl-n-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide
+CC1=C([C@H](N2C(=N/C(=N/C(=O)OC)/N2)N1c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C#N	VBM	methyl {(7r)-6-cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}carbamate
+C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)NCCCN(CCCNC(=O)c3cccc(c3O)O)C(=O)[C@@H]4[C@H](OC(=N4)c5cccc(c5O)O)C	VBN	(4s,5r)-n-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-n-[3-({[(4s,5r)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
+c1cc(ccc1CN2C(=O)C=CN(C2=O)C[C@H](C(=O)O)N)C(=O)O	VBP	4-({3-[(2r)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2h)-yl}methyl)benzoic acid
+CCn1c2c(c(ncn2)c3ccc4c(c3)[C@](C(=O)N4)(C)Cc5ccccc5)nc1c6cnc(nc6)C	VBS	(3s)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9h-purin-6-yl]-3-methyl-1,3-dihydro-2h-indol-2-one
+c1cc(ccc1c2ccc(cc2)S(=O)(=O)O)S(=O)(=O)O	VBV	[1,1'-biphenyl]-4,4'-disulfonic acid
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)C=C	VBY	5-(acryloylamino)-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide
+c1ccc(cc1)C[N@]2C[C@]3([C@H](C[C@@H]2[C@H]([C@H]3O)O)CO)O	VBZ	(1r,4r,5r,7r,8r)-2-benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol
+COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccc(cc3)F)Cl)O)O	VC1	methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate
+CC1([C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O)C	VC2	(3s,5s,7ar)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
+c1cc(ccc1c2cc[nH]n2)[N+](=O)[O-]	VC3	3-(4-nitrophenyl)-1h-pyrazole
+COC(=O)c1c(cc(c(c1CCc2cccnc2Cc3ccccc3)Cl)O)O	VC4	methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate
+COC(=O)c1c(cc(c(c1CCc2ccccc2Cc3ccccc3)Cl)O)O	VC5	methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate
+C1[C@@H]([C@@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O	VC6	4-amino-1-{5-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-l-threo-pentofuranosyl}pyrimidin-2(1h)-one
+CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O	VC7	5'-o-[(r)-hydroxy(methyl)phosphoryl]guanosine
+C1[C@@H]([C@@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O	VC8	4-amino-1-{2-deoxy-5-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-l-threo-pentofuranosyl}pyrimidin-2(1h)-one
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O	VC9	2'-deoxy-5'-o-[(r)-{[(r)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
+CCCCCCC=CCCCCCCCCCC(=O)O	VCA	vaccenic acid
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C	VCD	4-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1h-indole
+c1cc(c(c(c1)O/C(=C/C2CC2)/C(=O)O)O)C(=O)O	VCE	3-{[(e)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid
+CCCCCCCC/C=C/CCCCCCCC(=O)OCCOC[C@@H]([C@@H]1[C@@H](C[C@@H](O1)OCCO)OCCO)OCCO	VCG	2-hydroxyethyl 2-deoxy-3,5-bis-o-(2-hydroxyethyl)-6-o-(2-{[(9e)-octadec-9-enoyl]oxy}ethyl)-alpha-l-xylo-hexofuranoside
+CC(=O)N1Cc2cc(ccc2[C@@H]1C(=O)Nc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)C	VCH	(1~{r})-2-ethanoyl-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide
+c1cc(ccc1F)[P+](c2ccc(cc2)F)(c3ccc(cc3)F)c4ccc(cc4)F	VCJ	tetrakis(4-fluorophenyl)phosphanium
+CCS(=O)(=O)c1ccc(cc1)[C@@H](CC(=O)NC)C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O	VCK	(2~{r})-2-(4-ethylsulfonylphenyl)-~{n}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{n}'-methyl-butanediamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C[C@H]2c3ccccc3NC2=O)C(=O)O)O	VCP	(e)-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]-l-alanine
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@H]2c3ccccc3NC2=O)C(=O)O)[O-]	VCS	4-[(e)-({1-carboxy-2-[(3s)-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
+CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CNC6)C	VCV	n-(6-{5-[(azetidin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-1-[1,1-di(pyridin-2-yl)ethyl]-1h-indol-4-yl)ethanesulfonamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H](CO)O)O)O)O)S(=O)(=O)O	VCW	[(2s,3s,4s,5r,6s)-6-[(2r)-2,3-bis(oxidanyl)propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
+COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)OC	VCY	[2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
+CC[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	VD1	5-{2-[1-(1-methyl-propyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methylene-cyclohexane-1,3-diol
+CC1[C@@H](CC(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)C[C@H]1O)O	VD2	5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methyl-cyclohexane-1,3-diol
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C	VD3	(1s,3z)-3-[(2e)-2-[(1r,3ar,7as)-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethyli dene]-4-methylidene-cyclohexan-1-ol
+C/C(=C/1\CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O	VD4	(1r,3r,7e,17z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol
+C/C(=C\1/CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O	VD5	(1r,3r,7e,17e)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol
+CC(C)(C)c1cc(cc(c1)S(=O)(=O)N)C(C)(C)C	VD8	3,5-di~{tert}-butylbenzenesulfonamide
+CCCSc1ccc(cc1)S(=O)(=O)N	VD9	4-(propylsulfanyl)benzenesulfonamide
+CCC(CC)(CS[C@@H](C)C1=CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O	VDA	(1r,2r,3r,5z)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol
+CCC(CC)(CS[C@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O	VDB	(1r,2s,3r,5z,7e)-17-{(1r)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC2CCC(CC2)(F)F	VDJ	[4,4-bis(fluoranyl)cyclohexyl]methyl ~{n}-[(2~{s})-1-[[(1~{r},2~{s})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{s})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
+C1C[C@@H](C[C@H](C1)[NH3+])C(=O)O	VDK	[(1s,3s)-3-carboxycyclohexyl]azanium
+C[C@H]([C@H](C(=O)O)N)N	VDL	(2r,3r)-2,3-diaminobutanoic acid
+C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)CO	VDM	(1s,2s,3r,6s)-4-(hydroxymethyl)-6-{[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol
+CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C	VDN	2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1h)-one
+C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)COP(=O)(O)O	VDO	[(1r,2r,3s,4s,5s)-2,3,4-trihydroxy-5-{[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]methyl dihydrogen phosphate
+C[C@H](C[C@H]1C[C@@](C(=O)N1CCCCc2ccccc2)(C)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C/5\C[C@H](C[C@@H](C5=C)O)O)C	VDP	(3r,5s)-5-[(2r)-2-[(1r,3as,4e,7ar)-7a-methyl-4-[(2z)-2-[(3s,5r)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(4-phenylbutyl)pyrrolidin-2-one
+c1cc(ccc1N)N2CCOCC2	VDQ	4-morpholin-4-ylaniline
+C([C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O	VDS	beta-d-allofuranose
+C([C@H]([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O)O	VDV	alpha-d-allofuranose
+C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+]	VDW	[(2~{s})-5-[[(2~{r})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C	VDX	5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](CCC3=C)O)C	VDY	3-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexanol
+C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	VDZ	5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methylene-cyclohexane-1,3-dio l
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@]2(c3ccccc3NC2=O)O)C(=O)O)[O-]	VE4	4-[(e)-({1-carboxy-2-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
+CNC(=O)c1cc(n(n1)Cc2ccccc2)C(=O)NC3CC3	VE5	n5-cyclopropyl-n3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
+COc1ccc(cc1)c2c(c3ccc(cc3o2)c4cccc(c4)OC)CC(=O)O	VE7	[6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
+Cc1c2cc3[n+]4c([o+]c5c(c(c6n5[Fe@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C	VEA	5-oxa-protoporphyrin ix containing fe
+C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	VEB	[oxidanyl-[(2~{s},3~{s},5~{r},6~{s})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid
+COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)C(=O)O	VED	3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)NCCCCCCCCN=[N+]=[N-]	VEE	(1r,2s,3r,4s,5r,6r)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCC(=O)OCC	VEG	ethyl n-[(2r)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate
+Cc1c(sc(n1)Nc2cccc(n2)C(=O)NCCCN(C)C)c3cc4c(c(c3)S(=O)(=O)NC)C(=O)N(C4)[C@@H](C)C5CC5	VEH	6-[[5-[2-[(1s)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-n-[3-(dimethylamino)propyl]pyridine-2-carboxamide
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCCOC	VEJ	n-(4-tert-butylphenyl)-n-[(1r)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5cncn5C)Br	VEK	6-bromo-2-(1-methyl-1h-imidazol-5-yl)-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl}-1h-imidazo[4,5-b]pyridine
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCOC	VEM	n-(4-tert-butylphenyl)-n-[(1r)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+Cc1c(sc(n1)Nc2cccc(n2)N3CCCC3=O)c4cc5c(c(c4)S(=O)(=O)C)C(=O)N(C5)[C@@H](C)C6CC6	VEN	2-[(1s)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3h-isoindol-1-one
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC3CCOCC3	VEP	n-(4-tert-butylphenyl)-n-[(1r)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4ccc(cc4)CN(C)C)C(=O)N(C3)[C@@H](C)C5CC5	VEQ	n-[5-[2-[(1s)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
+Cc1c2n3c(c1C=C)[O+]=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5)C(=C8CCC(=O)O)C)C=C)C	VER	iron-octaethylporphyrin
+C1CCNC1	VES	pyrrolidine
+C[C@]1(C(=O)NC(=O)N1[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(O)O)O	VET	[(1r,2s,4r)-2-hydroxy-4-[(5r)-5-hydroxy-5-methyl-2,4-dioxo-imidazolidin-1-yl]cyclopentyl]methyl dihydrogen phosphate
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC	VEV	n-(4-tert-butylphenyl)-n-[(1r)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)Nc4cccc(c4)S(=O)(=O)C)C(=O)N(C3)[C@@H](C)C5CC5	VEW	n-[5-[2-[(1s)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3h-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
+CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCC	VEY	n-(4-tert-butylphenyl)-n-[(1r)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
+C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@@H]2c7ccccc7)OC	VF1	(2r,3s,3ar,5ar,6r,11br,11cs)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1h-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol
+CN(C)c1ccc(cc1)/C=C/c2cc[n+](cc2)CCCCCCCCl	VF2	4-[(e)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-n,n-dimethyl-aniline
+C[C@@H]1CCC[C@H](C1)O	VF4	(1r,3s)-3-methylcyclohexan-1-ol
+COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4	VFA	n-[(3-methoxyphenyl)methyl]-5h-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
+c1ccc2c(c1)[nH]c3[n+]2nc[nH]3	VFB	3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium
+C[C@H](C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)F	VFC	n-[(2r)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5h-pyrrolo[2,3-b]pyrazine-7-carboxamide
+COc1ccc2c(c1OCc3ccccc3)C[C@H](N(C2)C(=O)C(c4ccccc4)c5ccccc5)C(=O)O	VFD	olodanrigan
+CNC(=O)CN(Cc1ccc(cc1)n2cncn2)C(=O)CSc3ccccc3Cl	VFE	2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-n-methyl-ethanamide
+CCC(=O)Nc1nnc(s1)S(=O)(=O)N	VFG	n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
+CCCC(=O)Nc1nnc(s1)S(=O)(=O)N	VFJ	n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
+CC(C)C(=O)Nc1nnc(s1)S(=O)(=O)N	VFM	2-methyl-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
+c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3nnc(o3)N)Cl	VFN	~{n}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]ethanamide
+Cc1cc(ccc1C2=C(C(=O)NC(=O)N2C)C)Oc3c4ccoc4ccn3	VFP	6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1h,3h)-dione
+COc1cc(ccc1c2c[nH]nc2)C(=O)N[C@H](CO)c3ccccc3	VFS	n-[(1s)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1h-pyrazol-4-yl)benzamide
+c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3c[nH]cn3)Cl	VFT	2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-(1~{h}-imidazol-4-ylmethyl)ethanamide
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F	VFV	n-[(1r)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1h-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
+CCc1ccccc1OCC(=O)N(Cc2ccc(cc2)n3cncn3)CC(=O)NC	VFW	2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{n}-methyl-ethanamide
+CC1=C([C@H](C(=C(N1)C)[N+](=O)[OH-])c2ccccc2C(F)(F)F)C(=O)OC	VFY	methyl (4~{r})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
+c1ccc(c(c1)SCC(=O)N(Cc2nnc(o2)N)CC3=CNC(=O)C=C3)Cl	VFZ	~{n}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{n}-[(6-oxidanylidene-1~{h}-pyridin-3-yl)methyl]ethanamide
+CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)CCCC(C)C)O	VG0	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O	VG1	alpha-d-glucose-1-phosphate-6-vanadate
+Cc1cc(cc(c1OCCN)C)C(=O)Nc2cc(cc(c2)Cl)N3CCCCC3	VG2	4-(2-aminoethoxy)-n-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
+CCCCCS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CN[C@@H](C)C(=O)NC3CCCCC3)O	VG3	n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
+CCCOc1cc(cc(c1)N2C=CCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O	VG4	n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1h-pyrrol-1-yl)-5-propoxybenzamide
+CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O	VG5	 n-[(1s,2r)-1-benzyl-3-{[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
+CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O	VG6	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
+CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CCCCC4)O	VG7	n-[(1s,2r)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
+CN1Cc2c(ccc(c2C1=O)Nc3c(cnc(n3)Nc4ccccc4OC)Cl)N5CCC(CC5)N6CCCCC6	VG8	4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl}amino)-2-methyl-2,3-dihydro-1h-isoindol-1-one
+CCOc1ccc(c(c1)NCc2cnc3c(c2C)c(nc(n3)N)N)OCC	VG9	6-{[(2,5-diethoxyphenyl)amino]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
+c1ccc(cc1)C2=N[C@@H](C(=Nc3c2cccc3)N4CC(C4)O)c5cccs5	VGA	1-[(3s)-5-phenyl-3-thiophen-2-yl-3h-1,4-benzodiazepin-2-yl]azetidin-3-ol
+CCC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3	VGB	(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium
+Cn1c2cc(sc2c(c1c3ccccc3)C4CCCCC4)C(=O)O	VGC	6-cyclohexyl-4-methyl-5-phenyl-4h-thieno[3,2-b]pyrrole-2-carboxylic acid
+c1cc2c(cc1Cl)[nH]c(n2)N	VGD	6-chloro-1h-benzimidazol-2-amine
+c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl	VGF	1-(3,4-dichlorobenzyl)-7-phenyl-1h-benzimidazol-2-amine
+Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N	VGG	1-tert-butyl-3-(3-methylbenzyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4	VGH	3-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1h-pyrazol-4-yl)pyridin-2-amine
+c1cc(cc(c1)Br)N2C(=O)c3cccc4c3c(ccc4NCCO)C2=O	VGI	2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione
+CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)O	VGJ	(3r,7s,11s)-3,7,11,15-tetramethylhexadecanoic acid
+COc1cc(cc(c1OC)OC)c2cc(c(nc2)N)c3ccc(cc3)C(=O)O	VGK	4-[2-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]benzoic acid
+c1cnc(cn1)C(=O)O	VGL	pyrazine-2-carboxylic acid
+COc1cc(ccc1O)c2cc(c(nc2)N)c3ccc(cc3)C(=O)N	VGM	4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)pyridin-3-yl]benzamide
+CC(=O)Nc1ccc(cc1C(=O)O)c2ccc(cc2)c3ccccc3	VGN	2-acetamido-5-(4-phenylphenyl)benzoic acid
+C[C@H]([C@H]1[C@@H]([C@H]([C@H](O1)c2ccc(c3c2c4c(cc3OC)-c5c(cc(cc5OC)C=C)[C@@H](O4)O)O)O)O)O	VGP	(1r)-1,4-anhydro-6-deoxy-1-[(6r)-8-ethenyl-1,6-dihydroxy-10,12-dimethoxy-6h-dibenzo[c,h]chromen-4-yl]-d-galactitol
+c1ccc(c(c1)SCC(=O)N(Cc2ccc(cc2)C#N)Cc3nnc(o3)O)Cl	VGQ	2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide
+CC(C)(C)C(=O)Nc1nnc(s1)S(=O)(=O)N	VGS	2,2-dimethyl-n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
+C1CCC(CC1)C(=O)Nc2nnc(s2)S(=O)(=O)N	VGV	n-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
+CC(C)(c1ncc(cn1)C2CC2)NC3=CC(=O)N(c4c3cc(cc4)Nc5ccnc(c5C#N)Cl)C	VGW	2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
+C(CO)C(=O)C(=O)O	VGX	4-hydroxy-2-oxobutanoic acid
+C[C@H](c1ccccc1F)Nc2c3cc(ccc3ncc2Cl)c4cnc(nc4)C(C)(C)O	VGY	2-[5-(3-chloro-4-{[(1r)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
+c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CN	VH0	(2s,4s)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid
+c1cc2cc(cc3c2c(c1)C(=O)N(C3=O)Cc4ccc(cc4)N)S(=O)(=O)O	VH1	2-(4-aminobenzyl)-1,3-dioxo-2,3-dihydro-1h-benzo[de]isoquinoline-5-sulfonate
+c1ccc2c(c1)cccc2S(=O)(=O)Nc3nc(c(s3)Cc4ccc(cc4)Br)O	VH2	n-[5-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-yl]naphthalene-1-sulfonamide
+CC(C)(C1CCC(CC1)NC(=O)N2CCc3c(cnn3c4cccc(c4)F)C2)O	VH4	1-(3-fluorophenyl)-n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide
+CN1CCN(CC1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl	VH5	2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile
+CC(C)(C1CCC(CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4)O	VH7	n-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
+CNC(=O)CNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl	VH8	2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-ethanamide
+Cc1ccc2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCCO2	VHA	22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine
+Cn1cc(cn1)C2=CC(=O)Nc3c2cc(cc3)Nc4ccnc(c4C#N)Cl	VHB	2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile
+Cc1cc(c2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCNC2=O)C	VHC	4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one
+CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2	VHD	4-(1,3-dihydro-2h-isoindol-2-ylcarbonyl)-6-(1-methylethyl)benzene-1,3-diol
+Cc1cc(c2cc1-c3cc(nc(n3)N)SCCC(=O)NCCCNC2=O)C	VHE	4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione
+CCC1=C(NC(=O)[C@H]1C)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C	VHG	3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{h}-pyrrol-2-yl]methyl]-5-[[(3~{s})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{h}-pyrrol-3-yl]propanoic acid
+CN1[C@H]2CS[C@H]([C@H]2N(C1=O)C)CCCCC(=O)O	VHH	5-[(3as,4s,6ar)-1,3-dimethyl-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoic acid
+c1ccc(cc1)COC(=O)N2[C@H]3CS[C@H]([C@H]3NC2=O)CCCCC(=O)O	VHI	5-{(3as,4s,6ar)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl}pentanoic acid
+CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3	VHJ	n-[(benzyloxy)carbonyl]-l-valyl-n-{(2s)-1-hydroxy-3-[(3r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl]propan-2-yl}-l-phenylalaninamide
+CCNC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl	VHK	2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1h-quinolin-6-yl]amino]pyridine-3-carbonitrile
+CC(C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3	VHM	n-[(benzyloxy)carbonyl]-l-valyl-3-cyclohexyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-alaninamide
+C[C@@H](C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl	VHN	(2s)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-propanamide
+C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2)OC(C)(C)C	VHP	n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+CN1c2ccc(cc2C=CC1=O)Nc3ccnc(c3C#N)Cl	VHQ	2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile
+C[C@@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4	VHS	3-[(1s)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
+COC(=O)CNC1=C(C(=O)N(c2c1cccn2)O)C(=O)NCc3ccc(cc3F)F	VHT	methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2	VHV	n-[(benzyloxy)carbonyl]-l-valyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+CCC1(CC/C(=C\[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H]([C@@H]([C@@H](C4=C)O)OCCCO)O)C)/C1=O)C(=O)OC	VHW	methyl (1s,3e)-3-{(2r)-2-[(1r,3as,4e,7ar)-4-{(2z)-2-[(3r,4s,5r)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1h-inden-1-yl]propylidene}-1-ethyl-2-oxocyclopentanecarboxylate (non-preferred name)
+CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC	VHY	(2r)-3-(phosphonooxy)propane-1,2-diyl dibutanoate
+C[C@H](C(=O)NC)NC1=CC(=O)Nc2c1cc(cc2)Nc3ccnc(c3C#N)Cl	VHZ	(2r)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1h-quinolin-4-yl]amino]-n-methyl-propanamide
+c1ccc(cc1)c2c(c(n(n2)c3ccccc3)C(=O)O)C(=O)O	VI	1,3-diphenyl-1h-pyrazole-4,5-dicarboxylic acid
+CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C	VIA	5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1h,6h,7h-pyrazolo[4,3-d]pyrimidin-7-one
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO	VIB	3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium
+C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)C)F)O)/C	VIF	flopristin
+CC[C@H](CCC(=O)O)N	VIG	4-amino hexanoic acid
+c1ccc(cc1)c2c(c(c(o2)c3ccccc3)C(=O)O)C(=O)O	VII	2,5-diphenylfuran-3,4-dicarboxylic acid
+CC(C)Oc1ccc-2c(c1)CCc3c2c4c(c5c3n(c6c5cccc6)CCO)C=NC4=O	VIN	12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12h)-one
+CCCC(=[NH2+])NCCC[C@@H](C(=O)O)N	VIO	n5-(1-imino-3-butenyl)-l-ornithine
+Cc1cc(c(c(c1S(=O)(=O)Nc2c(nn(c2C)C)C)C)C)OC	VIQ	4-methoxy-2,3,6-trimethyl-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+C[C@@H]1\C=C\C(=O)NC\C=C\C(=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)\C	VIR	virginiamycin m1
+CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)Nc2ccc(c(c2)c3ccccn3)Cl	VIS	2-chloranyl-~{n}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide
+Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C	VIT	vitamin e
+Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C	VIV	(2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]chroman-6-ol
+CCCCCCCCCCC[C@H](C[C@H](O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O	VJ1	2-deoxy-3-o-[(1r,3r)-1,3-dihydroxytetradecyl]-2-{[(3r)-3-hydroxytetradecanoyl]amino}-1-o-phosphono-alpha-d-glucopyranose
+CC(C)(c1ncccn1)NC2=CC(=O)N(c3c2cc(cc3)Nc4ccnc(c4C#N)Cl)C	VJ2	2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
+CCCCCCCC[C@H](C[C@@H](N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)O)O)OC(=O)CCCC	VJ4	2-deoxy-2-{[(1s,3r)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-o-phosphono-alpha-d-glucopyranose
+C[C@H](c1ncccn1)NC2=CC(=O)N(c3c2cc(cc3)Nc4ccnc(c4C#N)Cl)C	VJ5	2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1r)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile
+C[C@H]1/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)Nc2cc(cc(c2)OC)COC[C@@H]([C@@H]1OC)OC)\C)OC(=O)N)OC(=O)N)\C	VJ6	valerjesomycin
+CC(C)C[C@@H](C(=O)N[C@H](C[C@@H]1CCNC1=O)CO)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2	VJA	n-[(benzyloxy)carbonyl]-l-valyl-n-{(2r)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-leucinamide
+Cc1nnc(o1)CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl	VJE	2-(2-chlorophenyl)sulfanyl-~{n}-[(4-cyanophenyl)methyl]-~{n}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide
+c1cc(ccc1c2[nH]nnn2)C(=O)[C@@H]3CCC[C@H]3CC(=O)O	VJG	{(1s,2r)-2-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}acetic acid
+Cc1cc([nH]n1)Nc2cc(nc(n2)Nc3ccc(cc3)CC(=O)Nc4cccc(c4)F)c5cnn(c5)CCN(C)C	VJH	2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{h}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{n}-(3-fluorophenyl)ethanamide
+c1ccc(cc1)Oc2cccc(c2)C(=O)O	VJJ	3-phenoxybenzoic acid
+CC[C@](C)(C(=O)NCC(F)(F)F)Nc1ccnc(n1)c2c[nH]c3c2cccn3	VJK	(2r)-2-methyl-2-[[2-(1h-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-n-[2,2,2-tris(fluoranyl)ethyl]butanamide
+C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(CC5)[S@](C)(N)O	VJM	4-(4-{1-[(r)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3r)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1h-pyrrolo[2,3-b]pyridine
+CC(C)Oc1ccc2c(c1)-c3ccsc3NC2=O	VJN	8-propan-2-yloxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
+c1cc(ccc1N)S(=O)(=O)N2CCCCC2=O	VJP	1-[(4-aminophenyl)sulfonyl]piperidin-2-one
+c1cc(ccc1CC(=O)O)C(=O)[C@@H]2CCC[C@H]2C(C(=O)O)C(=O)O	VJS	{(1r,2r)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}propanedioic acid
+CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)ccc(n3)C)NC(=O)[C@H]4CC45CCN(CC5)C)(O)O	VJV	(1s)-n-{(1s)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1h-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
+Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5cnn(c5C)C	VJZ	5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{n}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{n}-methyl-1,3,4-oxadiazol-2-amine
+C[C@@H]1COCCN1c2cc(nc(n2)SC)C3(CC3)S(=N)(=O)N	VK1	1-{6-[(3r)-3-methylmorpholin-4-yl]-2-(methylsulfanyl)pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide
+Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5c(nn(c5C#N)C)C	VK2	4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile
+CC1=CC(=O)c2ccccc2C1=O	VK3	menadione
+C[C@@H]1C[C@@H](CCN1C(=O)C2CCCC2)Oc3cc(cc(c3Cl)NC(=O)C[C@@H](CCC(=O)O)c4ccccc4)Cl	VK4	(4r)-6-[(2,5-dichloro-3-{[(2r,4r)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid
+Cc1cc(cnc1c2nnc(o2)N(C)Cc3ccc4ncc(n4c3)c5ccc(cc5)CN(C)C)c6c(nn(c6C)C)C	VK5	~{n}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{n}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine
+c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3cc(c(c4)C(C(F)(F)F)(C(F)(F)F)F)C#N)C(=O)C5CCC(CC5)C(=O)O	VK7	trans-4-[(3ar,9br)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCC(=O)NCCN4CCN(CC4)Cc5cccc(c5)c6ccc(c(c6)NC(=O)C7=C(CC(=O)N=C7)C(F)(F)F)N8CCN(CC8)C)O	VKA	3-methyl-n-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-l-valyl-(4r)-4-hydroxy-n-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-l-prolinamide
+C(COCC(=O)O)O	VKC	(2-hydroxyethoxy)acetic acid
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@H]4CCCCN4)O	VKD	cobimetinib
+c1c2c(cc3c1OCO3)OC(=O)C=C2CP(=O)(O)O	VKE	[(6-oxo-2h,6h-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid
+CC1=C2C(=C(N(C1=O)C)Nc3ccc(cc3F)I)C(=O)N(C(=O)N2c4cccc(c4)NS(=O)(=O)NC)C5CC5	VKG	n-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2h)-yl}phenyl)-n'-methylsulfuric diamide
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)[NH3+]	VKH	(1~{r},2~{r},3~{s},4~{r},5~{r},6~{r})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
+c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H]([C@H]([C@@H]4O)O)O)NC6=Nc7c(ncn7[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O)C(=O)N6	VKJ	2'-deoxy-n-[(7r,8s,9r,10s)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine 5'-(dihydrogen phosphate)
+c1cc(ccc1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	VKK	p-coumaroyl glucose
+Cn1cnc2c1C(=O)N(C=N2)Cc3nc(no3)[C@H]4C[C@@H](OC4)c5ccc(cc5)F	VKM	1-({3-[(3r,5r)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6h-purin-6-one
+C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O	VKN	(1r,2s,4s,5r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
+CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)N	VKP	6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine
+CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ccc(nc4)C(=O)NC	VKQ	5-[4-[(3-ethyl-2-oxidanylidene-1~{h}-quinolin-7-yl)methyl]piperazin-1-yl]-~{n}-methyl-pyridine-2-carboxamide
+C[C@H]1[C@H](C2(CCN(CC2)c3cnc(c(n3)N)Sc4ccnc(c4Cl)N)CO1)N	VKS	(3s,4s)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
+CCC1=Cc2ccc(cc2NC1=O)CN3CCN(CC3)c4ncc(n4C)C	VKT	7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{h}-quinolin-2-one
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO	VKV	2-{[(5z,8z,11z,14z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol
+Cc1cnc(n1C)N2CCN(CC2)CCCC3=Nc4c(cccc4Cl)C(=O)N3	VKW	8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{h}-quinazolin-4-one
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N)Cl)C	VKZ	4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
+CN(C)C1CCN(CC1)C(=O)c2ccc(cc2)NC(=O)Nc3ccc(cc3)c4nc(nc(n4)N5CCOCC5)N6CCOCC6	VL1	gedatolisib
+CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N(=O)=O)Cl)C	VL2	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
+CN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	VL4	(2s)-6-[[[2-(cyclobutylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
+[H]/N=C(/c1ccc(cc1)OC[C@@H](C(=O)O)O/N=C(/c2csc(n2)N)\C(=O)N[C@H](C=O)C(C)(C)NOS(=O)(=O)O)\N[C@@H]3CCCNC3	VL5	(2s)-2-[(z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2s)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[n-[(3r)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid
+CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO	VL7	1,3-dihydroxypropan-2-yl (9z,12z)-octadeca-9,12-dienoate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=Nc3c(nc(nc3N)N)CC2	VLA	n-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-l-glutamic acid
+CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O	VLB	(2alpha,2'beta,3beta,4alpha,5beta)-vincaleukoblastine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O	VLD	(2s)-2-({4-[({(6r)-2,4-diamino-5-[(1-{(2r,4s,5r)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name)
+CCC(=O)N1CCN2c3c4c(cc(c(c4OCC[C@H]2C1)Cl)c5c(ccc6c5c[nH]n6)C)ncn3	VLE	1-[(6as)-3-chloro-2-(5-methyl-1h-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8h-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one
+COc1cccc(c1)c2ccc(cc2)C(=O)O	VLG	3'-methoxy[1,1'-biphenyl]-4-carboxylic acid
+C[C@H]([C@@H](C(=O)O)N)N	VLL	(2s)-2,3-diaminobutanoic acid
+CC(C)[C@@H](C(=O)N)N	VLM	valinylamine
+CCCCCCCCCCCCCCCC(=O)OC(CO)CO	VLP	1,3-dihydroxypropan-2-yl hexadecanoate
+C(C(=O)O)NC(CO)(CO)CO	VLS	n-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine
+c1cc(ccc1C[C@@H](/C=C/C(=O)O)N)O	VLT	(2e,4s)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid
+Cc1c(sc(n1)NC(=O)NCCC(=O)NC(C)(C)C)c2ccc(cc2)C(=O)C	VLV	n~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-n-tert-butyl-beta-alaninamide
+C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4	VLY	1-methyl-5-phenyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CCCCCCCCCCCC(=O)OC(CO)CO	VLZ	1,3-dihydroxypropan-2-yl dodecanoate
+c1cc(sc1)c2cc(cnc2)C(=O)O	VM1	5-(2-thienyl)nicotinic acid
+C1CCC(CC1)CN[C@@H]2[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO	VM2	(1r,2s,3s,4r,5r)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol
+C[C@H](c1cccc(c1)O)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4	VM4	6-{[(1r)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O	VM7	3-(3-methylsulfonylphenyl)benzoic acid
+C[C@H](c1ccccn1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4	VMA	1-methyl-5-phenyl-6-{[(1r)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CN1CCC[C@H]1CCn2cnc(c2c3ccc(c(c3)OC)O)c4ccccc4	VMC	2-methoxy-4-(1-{2-[(2s)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1h-imidazol-5-yl)phenol
+CC(C)[C@@H](C(=O)OC)N	VME	methyl l-valinate
+C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CCO	VMG	5-{4-[(z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CO	VMJ	5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1r)-1-phenylethyl]sulfanyl}-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+CN/C(=N\O)/[C@@H]1c2c(cnn2C)[C@H](CN1C(=O)O)NOS(=O)(=O)O	VMM	etx0462 (bound form)
+c1ccc2cc(ccc2c1)C(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	VMP	n-[[(2r,3r,4s,5s,6r)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide
+CC(C)[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	VMS	5'o-[n-(l-valyl)sulphamoyl]adenosine
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CCc3c(c(nc(n3)N)N)N2	VMV	n-[4-({[(6s)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-l-glutamic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)CCCN)O)O)N	VMX	5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine
+Cc1csc(n1)[C@@](C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O	VMY	(1s)-1-(5-{[1-(2,6-difluorobenzyl)-1h-pyrazol-3-yl]amino}-1,3,4-thiadiazol-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
+[H]/N=C(\c1ccc(c(c1)OC)OCc2cn(nn2)[C@H](c3cn(nn3)CCCCN)[C@@H](C)CC)/N	VN1	4-[(1-{(1s,2s)-1-[1-(4-aminobutyl)-1h-1,2,3-triazol-4-yl]-2-methylbutyl}-1h-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide
+O=[V-](=O)=O	VN3	vanadate ion
+[O-][V](=O)=O	VN4	oxido(dioxo)vanadium
+CCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O	VND	(1s,2s,3r,4s,5s)-5-(butylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+c1ccc(cc1)[C@H](Cn2ccnc2)NC(=O)c3ccc(cc3)c4ccc(cc4)Cl	VNF	4'-chloro-n-[(1r)-2-(1h-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl	VNI	n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
+CC(=O)c1ccccc1N	VNJ	2-aminoacetophenone
+CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@H](C(C)C)O	VNK	n-hexanoyl-l-valyl-n~1~-[(3s,4s)-3-hydroxy-2,6-dimethylheptan-4-yl]-n~5~,n~5~-dimethyl-l-glutamamide
+COc1cc(ccc1O)C(=O)[O-]	VNL	4-hydroxy-3-methoxybenzoate
+c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CCc3c(c(nc(n3)N)N)N2CC4=CN(C(=O)NC4=O)[C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O	VNM	(2s)-2-({4-[({(6s)-2,4-diamino-5-[(1-{(2r,4s,5r)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name)
+Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(NP(=O)(O)O)O	VNP	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonoamino)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-i um
+C/C=C(\CCO[P@](=O)(O)OP(=O)(O)O)/C[C@]12C(=O)NC(=O)N=C1N(c3cc(c(cc3N2)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O	VNR	1-deoxy-1-[(4ar)-4a-[(2z)-2-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl]-5-o-phosphono-d-ribitol
+CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3)C(=O)N(C4)[C@H](c5cc(ccc5O)F)C(=O)Nc6nccs6	VNS	(2r)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2h-isoindol-2-yl}-n-(1,3-thiazol-2-yl)acetamide
+c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4cncn4)c5ccc(cc5Cl)Cl	VNT	n-[(1r)-1-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
+C/C(=C\[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/c2ccc(cc2)c3ccccc3	VNY	para-biphenyl methylene c-linked mannoside
+Cc1csc(n1)Nc2c(cccn2)OCc3ccccc3	VO1	3-(benzyloxy)-n-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
+Cc1cc(c(nc1)Nc2nc(cs2)C)OCc3ccccc3	VO2	3-(benzyloxy)-5-methyl-n-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
+[O-][V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])O[V](=O)([O-])[O-]	VO3	tetrametavanadate
+[O-][V](=O)([O-])[O-]	VO4	vanadate ion
+CN(C)CCN(C)c1cc(c(cc1NC(=O)C=C)Nc2nccc(n2)c3c[nH]c4c3cccc4)OC	VO7	n-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide
+C=Cc1ccc(cc1)CS(=O)(=O)O	VOD	(4-vinylphenyl)methanesulfonic acid
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO	VOG	(1s,2s,3r,4s,5s)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+COc1ccc(cc1OC)CO	VOH	veratryl alcohol
+Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@@H](C)c3cc(ccc3n4cccn4)F	VOJ	3-{(1s)-1-[5-fluoro-2-(1h-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1h-pyrazol-4-yl)pyridin-2-amine
+CC(C)[C@@H](CO)N	VOL	l-valinol
+C[C@@H](c1cc(ccc1n2cccn2)F)Oc3cc4cc(ccc4nc3N)C(=O)N	VOM	2-amino-3-{(1s)-1-[5-fluoro-2-(1h-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide
+C[C@@H](c1cc2c(cc1n3cccn3)cnn2CC(=O)O)Oc4cc5cc(ccc5nc4N)F	VOP	[6-{(1s)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1h-pyrazol-1-yl)-1h-indazol-1-yl]acetic acid
+C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O	VOR	voriconazole
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C)C=C)C)CCC(=O)O	VOV	harderoheme (iii)
+CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)C)Oc4ccn5c(c4)ncn5	VOY	(2e)-n-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide
+CC(C)(C#Cc1ccc2c(c1)c-3c([nH]2)CCCc4c3nc(nc4)N)O	VP7	4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol
+[H]/N=C(\Cc1ccccc1)/N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O	VPA	2-phenyl-n-(6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)ethylamidine
+c1ccc2c(c1)c3n4c2N=C5c6ccccc6C7=[N]5[Ga]48N9C(=NC1=[N]8C(=N3)c2c1cccc2)c1ccccc1C9=N7	VPC	phthalocyanine containing ga
+COC[C@](CO)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(cn2)c(nc(n3)Cl)NC4CCCC4)O)O)P(=O)(O)O	VPD	6-chloro-n-cyclopentyl-1-{5-o-[(2r)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-d-ribofuranosyl}-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc2ccccc2)P(=O)(O)O)NC(=O)CCC(=O)O	VPF	n-(3-carboxypropanoyl)-l-valyl-n-[(1s)-2-phenyl-1-phosphonoethyl]-l-prolinamide
+c1ccc(c(c1)CNc2c3cnn(c3nc(n2)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)COCP(=O)(O)O)O)O)Cl	VPG	6-chloro-n-[(2-chlorophenyl)methyl]-1-[5-o-(phosphonomethyl)-beta-d-ribofuranosyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+c1cc(ccc1Nc2nc(nc(n2)N)CSc3nnc(s3)NCC4CCCO4)F	VPJ	n~2~-(4-fluorophenyl)-6-{[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
+CC(C)[C@@](CC(=O)O)(C(=O)O)O	VPM	(2s)-2-hydroxy-2-(propan-2-yl)butanedioic acid
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O	VPP	(2s,4s)-2-[(r)-carboxy{[(2r)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CCCC(CCC)C(=O)N	VPR	2-propylpentanamide
+c1cc(cc(c1)Oc2nc(nc(n2)Nc3ccc(cc3)C#N)N)C(=O)O	VPS	3-({4-amino-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}oxy)benzoic acid
+CCCCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O	VPU	[[(3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] n-phenylcarbamate
+C(CC/N=C(\C[C@@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N	VPV	(2e,4r)-2-{[(5s)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
+CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/c4ccc(cn4)c5cccc(c5)F)[C@H](OC3=O)C	VPX	ethyl [(1r,3ar,4ar,6r,8ar,9s,9as)-9-{(e)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur an-6-yl]carbamate
+CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SC[C@@H](CO)O	VPY	s-[(2r)-2,3-dihydroxypropyl] (5z,8z,11z,14z)-icosa-5,8,11,14-tetraenethioate
+CC(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N(C)C)CO	VQ1	n-acetylpuromycin
+CN1C(=CC(=NC1=O)OCc2cc(c(c(c2)F)Oc3ccc(c(c3)C(F)(F)F)Cl)F)N4CCS(=O)(=O)CC4	VQ7	6-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-pyrimidin-2-one
+C=C(c1ccccc1)[C@@]23CC[C@H]([C@@H]2CC(=C3c4ccccc4)CCCCCCCCCC(=O)O)O	VQA	10-[(3ar,6r,6ar)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid
+c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)[C@@H]4COCCN4C(=O)c5ccc(c(c5)F)F	VQD	(3r)-3-{4-[(3r)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1h-1,2,3-triazol-1-yl}-n-hydroxy-4-(naphthalen-2-yl)butanamide
+C[C@@H](c1cn(nn1)[C@H](Cc2ccc3c(c2)CCCC3)CC(=O)NO)NC(=O)c4ccc(c(c4)F)F	VQG	3,4-difluoro-n-[(1s)-1-{1-[(2r)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1h-1,2,3-triazol-4-yl}ethyl]benzamide
+Cc1cc2c(cc1O)CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C	VQI	(e)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1h-isoquinolin-1-yl)phenyl]prop-2-enoic acid
+c1cc2ccc(cc2nc1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(c(c4)F)F	VQJ	3,4-difluoro-n-({1-[(2r)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1h-1,2,3-triazol-4-yl}methyl)benzamide
+Cc1cc(c(cc1Nc2ccc3c(c2F)C(=O)N(C=N3)C)NC(=O)NCCC(C)(C)C)F	VQP	n-(3,3-dimethylbutyl)-n'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea
+C[C@H]1COCCN1c2cc(nc(n2)c3ccc(cc3)NC(=S)NCCO)C4(CC4)S(=O)(=O)C5CC5	VQS	n-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3s)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-n'-(2-hydroxyethyl)thiourea
+C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@@H](O2)COP(=O)(O)O)OP(=O)(O)O)O	VQV	1-(3,5-di-o-phosphono-alpha-l-xylofuranosyl)pyrimidine-2,4(1h,3h)-dione
+C[N+](C)(C)CCOP(=O)(O)OCCCCCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4	VQY	9-[(3~{a}~{r},6~{r},6~{a}~{r})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{h}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate
+CC(C)CO[P@@](=O)(C)O	VR	2-methylpropyl hydrogen (r)-methylphosphonate
+[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)NC	VR0	n~5~-[n-(methylcarbamoyl)carbamimidoyl]-l-ornithine
+CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)NS(=O)(=O)c4ccc(cc4)[N+](=O)[O-]	VR1	(2s)-2-({(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-2-(4-fluorophenyl)-n-[(4-nitrophenyl)sulfonyl]acetamide
+C[C@@H](CCN1CCN(C1=O)c2ccncc2)CCOc3ccc(cc3)I	VR2	1-[(3s)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](C(=O)NCc2ccccc2)O)NC(=O)OCc3ccccc3	VR4	n-{(2s,3r)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3s)-2-oxopyrrolidin-3-yl]butan-2-yl}-n~2~-[(benzyloxy)carbonyl]-l-leucinamide
+c1cc(c(cc1c2ccsc2)C(=O)O)O	VR7	2-hydroxy-5-(thiophen-3-yl)benzoic acid
+COc1cc(c(c(c1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)Nc3ccc(cc3F)I)F)F	VRA	n-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2s)-2,3-dihydroxypropyl]cyclopropanesulfonamide
+CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C	VRB	phycoviolobilin, blue light-absorbing form
+CCc1c(c2c(n1Cc3ccccc3)cccc2OCC(=O)O)C(=O)C(=O)N	VRD	({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1h-indol-4-yl}oxy)acetic acid
+[H]/N=C(\NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)C)/NC(=O)NC	VRG	n~2~-acetyl-n~5~-[n-(methylcarbamoyl)carbamimidoyl]-l-ornithyl-n-methyl-l-phenylalanyl-l-aspartic acid
+CC(C)(C)S(=O)(=O)NC(=O)c1ccc(cc1c2ccc3c(c2)OC[C@@H]([C@H]3O)Cc4ccccn4)F	VRJ	n-(tert-butylsulfonyl)-4-fluoro-2-{(3s,4r)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2h-1-benzopyran-7-yl}benzamide
+Cc1cc([nH]n1)c2cccnc2	VRM	3-(3-methyl-1h-pyrazol-5-yl)pyridine
+COc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O	VRO	5-[2-(4-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@@](CO)(C(=O)O)N)O)O	VRP	myriocin
+CCCC(C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N	VRT	2'-(l-norvalyl)amino-2'-deoxyadenosine
+c1ccc(cc1)C2=C(C(=O)NC(=C2)c3cc(ccc3O)Br)C#N	VRV	6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
+CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)O	VRX	(2s)-({(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)acetic acid
+c1ccc(cc1)CNC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	VRZ	1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea
+c1ccc(cc1)C(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	VS0	n-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)N4CCOCC4	VS1	3-[[n-[morpholin-n-yl]-carbonyl]-phenylalaninyl-amino]-5- phenyl-pentane-1-sulfonylbenzene
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Cc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4	VS2	3-[n-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccc(cc2)[N+](=O)[O-])NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4	VS3	3-[n-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid 4-nitro-phenyl ester
+CN1CCN(CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)CCS(=O)(=O)NOCc4ccccc4	VS4	3-[[n-[4-methyl-piperazinyl]carbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid benzyloxy-amide
+c1ccc(cc1)c2c3c([nH]c2c4ccccc4)nc(nc3NC5CCCCC5)N	VS8	n4-cyclohexyl-5,6-diphenyl-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine
+c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5	VSA	1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
+CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6	VSB	7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4	VSC	n-[n'-benzyloxycarbonyl-phenylalaninyl]-3-amino-5-phenyl-pentane-1-sulfonic acid phenyl ester
+CCCCCCCCCCCCCCCC(=O)[C@H](CO)N	VSD	3-dehydrosphinganine
+CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6	VSE	7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCOCC5	VSF	5-(4-phenoxyphenyl)-7-(tetrahydro-2h-pyran-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CN1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5	VSG	7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+CC(C)n1c2c(c(n1)c3ccc(c(c3)OC)NC(=O)OC(C)(C)C)c(ncn2)N	VSH	tert-butyl {4-[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate
+[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cc(cc3)C#N	VSI	n-{n-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1h-indol-1-yl)acetamide
+Cc1cc(c(c(c1)C)CCNC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C	VSK	(2~{s})-2-azanyl-3-(1~{h}-indol-3-yl)-~{n}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
+C=CS(=O)(=O)O	VSO	vinylsulphonic acid
+CCS(=O)(=O)Nc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)C)N	VSP	n-(3-{[4-amino-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide
+c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)CNc2ccc(cc2)\C=C/3\C(=O)NC(=O)S3	VSV	n-({3-[({4-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-d-glutamic acid
+CC[C@@](C)(C#Cc1cc2c(cn1)cnn2c3ccnc(n3)N)O	VSY	(3s)-1-[1-(2-aminopyrimidin-4-yl)-1h-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol
+c1ccc(cc1)c2nc(c3ccsc3n2)NC(P(=O)(O)O)P(=O)(O)O	VT0	{[(2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
+c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OCC(F)(F)F	VT1	(r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol
+c1cc(ccc1COc2ccc(cc2)C=Cc3ccc(nc3)C([C@](Cn4cnnn4)(c5ccc(cc5F)F)O)(F)F)C#N	VT2	(r)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1h-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile
+Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2	VT3	8-hydroxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
+CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C	VT4	2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1h)-one
+CC(=O)C1=C(C(=O)N([C@@H]1C2CCCCC2)c3ccc(cc3F)Cl)O	VT5	(2~{r})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{h}-pyrrol-5-one
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@](F)(P(=O)(O)O)Cl)O)O	VT6	5'-o-[(r)-{[(r)-[(s)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O	VT7	5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O	VT8	5'-o-[(r)-{[(r)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
+Cc1cc(n[nH]1)c2cc(ccc2O[C@@H]3C[C@@H]3c4ccc(cc4F)F)C#N	VTA	4-{[(1r,2r)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1h-pyrazol-3-yl)benzonitrile
+C([C@H]1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O	VTB	7-o-phosphono-alpha-l-galacto-hept-2-ulopyranose
+Cc1cc(n[nH]1)c2cccc(c2)Cl	VTD	3-(3-chlorophenyl)-5-methyl-1h-pyrazole
+Cc1ccc(cc1)CO	VTG	(4-methylphenyl)methanol
+[H]/N=C(\NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cccc3	VTI	n-{n-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1h-indol-1-yl)acetamide
+CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C	VTP	(2z,6z,10z,14z,18z,22e,26e)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate
+CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C	VTQ	rrr-alpha-tocopherylquinone
+CC1=C[C@H](OC1=O)O	VTY	(5s)-5-hydroxy-3-methylfuran-2(5h)-one
+c1cc(ccc1CN2CCCCC2)C(=O)O	VU1	4-[(piperidin-1-yl)methyl]benzoic acid
+c1ccc(cc1)[C@@H](CN)OCc2ccc(cc2)Cl	VU2	(2s)-2-[(4-chlorobenzyl)oxy]-2-phenylethanamine
+c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3	VU3	2-(2-(4-phenylpiperidin-1-yl)ethyl)-1h-indole
+c1cc(ccc1CCN)C(=O)O	VU4	4-(2-aminoethyl)benzoic acid
+Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)NOC	VU7	6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-n-methoxy-3-methylquinoline-4-carboxamide
+CC1CCN(CC1)c2ccnc(n2)NCCc3ccccc3	VUA	4-(4-methylpiperidin-1-yl)-n-(2-phenylethyl)pyrimidin-2-amine
+C[C@@H](C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4nc3N)F	VUD	6-{(1s)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1h-pyrazol-1-yl)pyridin-2(1h)-one
+Cc1cccc(c1)C2CCC(CC2)N3CCN(CC3)c4cccnc4	VUG	1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine
+Cc1cccc(c1)[C@@H]2CC[C@@H](C=C2)N3CCN(CC3)CC4=CNC(=O)C=C4	VUJ	5-({4-[(1r,4s)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1h)-one
+c1cc(cc(c1)C(F)(F)F)C2(CCC(CC2)N3CCN(CC3)CC4=CNC(=O)C=C4)O	VUM	5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1h)-one
+CCn1c2cc(ncc2nc1c3c(non3)N)C	VUP	4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
+[H]/N=C(\CS)/NCCC[C@@H](C(=O)O)N	VUR	(s)-2-amino-5-(2-mercaptoacetimidamido)pentanoic acid
+[B-](CCC[C@]12CCN[C@H]1CN[C@@H]2C(=O)O)(O)(O)O	VUS	3-[(3~{a}~{s},4~{s},6~{a}~{r})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{h}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+[B-](CCC[C@@H]1CCN[C@@H]1C(=O)O)(O)(O)O	VUV	3-[(2~{s},3~{r})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+[B-](CCC[C@]12CS[C@H]1CN[C@@H]2C(=O)O)(O)(O)O	VUY	3-[(1~{s},2~{s},5~{r})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+[B-](CCC[C@]12CN[C@H]1CN[C@@H]2C(=O)O)(O)(O)O	VV1	3-[(1~{s},2~{s},5~{r})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+[B-](CCC[C@@H]1[C@@H]2CN[C@]1(CCN2)C(=O)O)(O)(O)O	VV4	3-[(1~{r},5~{s},8~{r})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+O[V](O[V](=O)[V](O)(O)O[V](O)(O)O[V](O)(O)O)O[V](O)(O)(O)O	VV6	[[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium
+c1c(cc(cc1C(=O)N[C@@](COCc2cn(nn2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)(COCc4cn(nn4)[C]5[C]([C]([C]([C](O5)[C][O])[O])[O])[O])OCc6cn(nn6)[C@H]7C(C(C([C@H](O7)CO)O)O)O)C(=O)NC(COCc8cn(nn8)[C@@H]9[C@H]([C@@H]([C@H]([C@@H](O9)CO)O)O)O)(COCc1cn(nn1)[C@H]1C(C([C@H]([C@H](O1)CO)O)O)O)COc1[c]n(nn1)[C]1[C]([C]([C]([C](O1)[C][O])[O])[O])[O])CO	VV7	dendron-d3
+CCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN	VVA	2-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate
+CC(=O)Nc1ccc(c(c1)C(=O)O)F	VVD	5-(acetylamino)-2-fluorobenzoic acid
+CCS(=O)(=O)Nc1ccccc1F	VVG	n-(2-fluorophenyl)ethanesulfonamide
+CN(C1CCCCCC1)S(=O)(=O)C	VVJ	n-cycloheptyl-n-methylmethanesulfonamide
+c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N	VVM	4-amino-n-phenylbenzene-1-sulfonamide
+O=[V+2]	VVO	oxovanadium(2+)
+COc1cccc2c1cc[nH]2	VVP	4-methoxy-1h-indole
+Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl	VVQ	5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1h-pyrrole-3-carboxamide
+CC(C)(C)CC(C)(C)c1cc(c(c(c1)Cn2ccnc2)O)Cn3ccnc3	VVS	2,6-bis(1h-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
+c1ccc(cc1)c2c(cc(nn2)Cl)c3ccncc3	VVT	6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine
+CC1=CC(=O)Nc2c1c(c(cc2OC)OC)OC	VVV	5,6,8-trimethoxy-4-methylquinolin-2(1h)-one
+CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cccc6c5cc[nH]6	VVX	6-(1h-indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1h-indazole
+c1ccc(cc1)OCC(=O)N2CCCC2	VVY	2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
+C[C@@H](C(=O)N)Oc1ccc(cc1)C#N	VW1	(2s)-2-(4-cyanophenoxy)propanamide
+C[C@H](CS(=O)(=O)N)c1ccccc1	VW4	(2s)-2-phenylpropane-1-sulfonamide
+Cc1ccc(c2c1NCCC2)NC(=O)C	VW7	n-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide
+C[C@@H](c1ccc(cc1)F)NC	VWA	(1s)-1-(4-fluorophenyl)-n-methylethan-1-amine
+CS(=O)(=O)C[C@@H](c1ccccc1)O	VWD	(1r)-2-(methylsulfonyl)-1-phenylethan-1-ol
+c1ccc2c(c1)ccc(n2)C(=O)NO	VWG	n-hydroxyquinoline-2-carboxamide
+CC(C)Nc1[nH]c2ccccc2n1	VWJ	n-(propan-2-yl)-1h-benzimidazol-2-amine
+CC(=O)N1CCC[C@@](C1)(C(=O)O)O	VWM	(3r)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid
+Cn1c2ccccc2nc1CC3=NC(=CC(=O)N3)N4CCOCC4	VWN	2-[(1-methyl-1h-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3h)-one
+[H]/N=C(/N)\NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C=CCN1C(=O)Cc2cccc3c2cccc3	VWP	n~2~-{(2s)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1h-pyrrole-2-carbonyl}-l-lysyl-l-argininamide
+Cc1c(c2cc(ccc2o1)NS(=O)(=O)c3ccc(cc3)Cl)C(=O)O	VWS	5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid
+CCOC(=O)CN1CCS(=O)(=O)CC1	VWV	ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate
+c1ccc(cc1)CSC[C@@H](C(=O)N[C@H](c2ccccc2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N	VWW	l-gamma-glutamyl-s-benzyl-n-[(s)-carboxy(phenyl)methyl]-l-cysteinamide
+CCNC(=O)c1ccc(cc1)NS(=O)(=O)C	VWY	n-ethyl-4-[(methylsulfonyl)amino]benzamide
+CCO[P@](=O)(C)O	VX	o-ethylmethylphosphonic acid ester group
+c1cc(ccc1c2c3cc(ccc3no2)c4ccnc(n4)N)Cl	VX1	4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine
+c1cc(cc(c1)C(F)(F)F)c2nnc3n2nc(cc3)NC4CCCCC4	VX2	n-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
+c1ccc(cc1)c2c3cccc(c3[nH]c2c4ccccc4)C(=O)O	VX3	2,3-diphenyl-1h-indole-7-carboxylic acid
+C[C@H]1CCCN(CC1)C(=O)c2cscn2	VX4	[(4s)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone
+Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C	VX6	cyclopropanecarboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2h-pyrazol-3-ylamino)-pyrimidin-2-ylsulfanyl]-phenyl}-amide
+CC(C)(C)c1cc(c(cc1NC(=O)C2=CNc3ccccc3C2=O)O)C(C)(C)C	VX7	n-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
+Cc1ccc(nc1c2cccc(c2)C(=O)O)NC(=O)C3(CC3)c4ccc5c(c4)OC(O5)(F)F	VX8	lumacaftor
+C[P@H](=O)[O-]	VXA	methylphosphonic acid ester group
+Cc1c(cccc1Cl)NC(=O)CN	VXD	n-(3-chloro-2-methylphenyl)glycinamide
+CC(=O)N1C[C@H]([C@@H](C1)C(=O)O)c2ccccc2	VXG	(3s,4r)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid
+c1ccc(cc1)c2c3c(n[nH]2)CCN(C3)C(=O)Nc4ccc(c(c4)Cl)F	VXJ	n-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCC(=O)NC)O)S(=O)(=O)c4ccc(cc4)OC	VXL	(3r,3as,4r,6ar)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
+c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O	VXM	4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione
+CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]c4c3cccc4	VXO	5-[(2s)-2-[[2-(1h-indol-3-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid
+c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O	VXP	4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1h-isoindole-1,3(2h)-dione
+c1cc2c(cc1CN)CCO2	VXQ	1-(2,3-dihydro-1-benzofuran-5-yl)methanamine
+CCc1ccc(o1)\C=C/2\C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)c4[nH]nnn4	VXR	(5z)-5-[(5-ethyl-2-furyl)methylene]-2-{[(s)-(4-fluorophenyl)(1h-tetrazol-5-yl)methyl]amino}-1,3-thiazol-4(5h)-one
+c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O	VXS	4-{[3-(2-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+c1cc(c2c(c1)OCCCO2)CN	VXU	3,4-dihydro-2h-1,5-benzodioxepin-6-ylmethanamine
+c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O	VXV	4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1h-isoindole-1,3(2h)-dione
+COc1cc(ccc1O)C(=O)OC	VXX	methyl vanillate
+c1c(cnc(n1)N)c2c(c(nc(n2)N3CCOCC3)N[C@]4(CCN(C4)C(=O)OCC(F)F)CO)F	VXY	2,2-difluoroethyl (3s)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate
+CNS(=O)(=O)N1CC[C@@H](C1)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5	VY1	(3s)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]-n-methylpyrrolidine-1-sulfonamide
+C[C@@]1(CCN(C1)C(=O)OC(C)(C)C)N2CCc3c2nc(nc3c4cnc(nc4)N)N5CCOCC5	VY4	tert-butyl (3s)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate
+c1ccc(c(c1)N2CCC(CC2)C(=O)O)OCC(=O)N3Cc4c(nc(nc4N)N)C3	VY7	1-{2-[2-(2,4-diamino-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid
+CC(C)C[C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N	VYA	2-[(4~{z})-2-[(1~{s})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
+CC(C)CCNC(=O)[C@H]1C[C@H](CNC1)CN2CC(=O)N(CC2(C)C)c3ccccc3Cl	VYD	(3s,5r)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-n-(3-methylbutyl)piperidine-3-carboxamide
+CC(C)CCNC(=O)[C@H]1C[C@H](CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl	VYE	(3s,5r)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-n-(3-methylbutyl)piperidine-3-carboxamide
+CC(C)CC(CC(C)C)NC(=O)[C@H]1C[C@H](CNC1)N2CC(=O)N(CC2(C)C)c3ccccc3Cl	VYF	(3s,5r)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-n-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide
+CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)N3CCC(CC3)C(F)(F)F	VYG	6-ethyl-5-[3-({3-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl}oxy)propoxy]pyrimidine-2,4-diamine
+c1ccc(c(c1)Nc2cccc3c2CN(CCO3)S(=O)(=O)c4ccc(cc4)F)F	VYI	n-(2-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-6-amine
+CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C	VYJ	11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+c1cc2c(cc1N)N(CCC2)C(=O)C3CC3	VYM	(7-amino-3,4-dihydroquinolin-1(2h)-yl)(cyclopropyl)methanone
+c1cnc(nc1c2cnc(nc2)N)N3CCOCC3	VYP	2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine
+CCc1c(cccc1S(=O)(=O)N[C@@H](Cc2cc(on2)c3ccc(s3)Cl)C(=O)N4CCC(CC4)OC)N5CCOCC5=O	VYR	n-[(s)-1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(4-methoxy-piperidin-1-yl)-2-oxo-ethyl]-2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonamide
+c1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N	VYV	4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide
+Cc1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N	VYY	4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
+Cc1cc(cc(c1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)C	VZ1	4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
+CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	VZ4	(9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate
+CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C	VZ5	(14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate
+CC(C)(COC(=O)O)c1cccc(c1)Cl	VZ7	2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate
+c1cc(ccc1NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)F	VZD	4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
+CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ccc(nn4)C(=O)N(C)C	VZG	6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-n-methylpyridazine-3-carboxamide
+CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncccn4	VZJ	6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-n-methylpyridazine-3-carboxamide
+COc1ccc(cn1)NC(=O)Nc2cccs2	VZM	n-(6-methoxypyridin-3-yl)-n'-thiophen-2-ylurea
+CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1	VZP	n-[(3r)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-n-methyl-n'-propan-2-ylurea
+Cc1ccc(c(c1)NC(=O)Nn2cnnc2)OC	VZS	n-(2-methoxy-5-methylphenyl)-n'-4h-1,2,4-triazol-4-ylurea
+CC(C)C1=C(SC2=N[C@@]([C@H](N12)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(=O)N5CCC[C@H]5C(=O)N(C)C	VZV	1-{[(5r,6s)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-n,n-dimethyl-l-prolinamide
+Cc1cccc(c1)C(=O)NCC(=O)O	VZY	n-(3-methylbenzene-1-carbonyl)glycine
+C(CCCCCOC(=O)S)CCCCC(=O)O	VZZ	11-[(mercaptocarbonyl)oxy]undecanoic acid
+[W+6]	W	tungsten ion
+Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nnn(n3)C	W01	2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2n-methyl-2h-tetrazol-5-yl]-phenol
+Cc1cc(cc(c1OCCCc2cc(no2)C)C)n3nc(nn3)C	W02	2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[4-methyl-2h-tetrazol-2-yl]-phenol
+Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3coc(n3)C	W03	2,6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2-methyl-4-isoxazolyl]-phenol
+Cc1ccnc(c1)NC(=O)CNC	W04	n~2~-methyl-n-(4-methylpyridin-2-yl)glycinamide
+C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N	W05	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-alanine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	W06	(2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid
+CC(C)(C)[C@H](COc1ccc(cc1)C(C)(C)c2ccc(cc2)OC[C@H](CO)O)O	W07	(2s)-3-{4-[2-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)propan-2-yl]phenoxy}propane-1,2-diol
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	W09	n-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-l-tryptophan
+CCCC(=O)NCc1[nH]c2ccccc2n1	W0A	n-[(1h-benzimidazol-2-yl)methyl]butanamide
+c1ccc2c(c1)[nH]c(n2)CNC(=O)c3ccco3	W0D	n-[(1h-benzimidazol-2-yl)methyl]furan-2-carboxamide
+CN[C@@H]1CCN(C1=O)c2ccccc2F	W0G	(3r)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one
+CCCCCCc1cc(c(cc1F)Oc2ccccc2)O	W0I	4-fluoro-5-hexyl-2-phenoxyphenol
+CN[C@@H]1CCCN(C1)c2cccnn2	W0J	(3r)-n-methyl-1-(pyridazin-3-yl)piperidin-3-amine
+C[C@H](C(=O)N)Oc1ccc(cc1)Cl	W0M	(2r)-2-(4-chlorophenoxy)propanamide
+C[C@H](C(=O)O)Oc1ccccc1F	W0P	(2r)-2-(2-fluorophenoxy)propanoic acid
+COc1cc(cc(c1OC)OC)CN	W0S	1-(3,4,5-trimethoxyphenyl)methanamine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	W0T	(2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid
+CC(C)C(=O)NCc1[nH]c2ccccc2n1	W0V	n-[(1h-benzimidazol-2-yl)methyl]-2-methylpropanamide
+CNC(=O)c1ccc(cc1)S(=O)(=O)N	W0Y	n-methyl-4-sulfamoylbenzamide
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	W10	(2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid
+Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nc(on3)C(F)(F)F	W11	3-{3,5-dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole
+CCCC(CCC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O	W12	(2s)-3-{4-[4-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol
+c1ccc(c(c1)SC2=C(C[C@H](CC2=O)c3c(ccc(c3Cl)NC4CCOCC4)Cl)O)Cl	W13	(5r)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2h-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one
+c1cc2c(cc1O)CN(CC2)C(=O)C(F)(F)F	W14	2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
+C(CCl)c1nnc(s1)N	W16	5-(2-chloroethyl)-1,3,4-thiadiazol-2-amine
+c1c(cn(n1)CCO)C(=O)N	W17	1-(2-hydroxyethyl)-1h-pyrazole-4-carboxamide
+c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO	W19	4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-n-(2-hydroxyethyl)-8,9-dihydro-7h-pyrimido[4,5-b]azepine-6-carboxamide
+CS(=O)(=O)NCC1CCNCC1	W1A	n-[(piperidin-4-yl)methyl]methanesulfonamide
+CC(=O)c1ccc(cc1)OCC(=O)O	W1D	(4-acetylphenoxy)acetic acid
+C=CCc1ccc(c(c1)O)Oc2ccccc2	W1G	2-phenoxy-5-(2-propenyl)phenol
+CCCn1nc(nn1)NC(=O)c2ccco2	W1J	n-(2-propyl-2h-tetrazol-5-yl)furan-2-carboxamide
+Cn1ccc(n1)C(=O)Nc2cccc(c2)C(=O)O	W1M	3-[(1-methyl-1h-pyrazole-3-carbonyl)amino]benzoic acid
+CC1=NN(C(=O)C1)c2ccccc2	W1P	5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
+c1cn2c(n1)[C@H](CCC2)C(=O)N	W1S	(8s)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
+Cc1c(c(n(n1)C)C)CC(=O)N	W1V	2-(1,3,5-trimethyl-1h-pyrazol-4-yl)acetamide
+CNCc1cnn(c1)c2ccccc2	W1Y	n-methyl-1-(1-phenyl-1h-pyrazol-4-yl)methanamine
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	W1Z	(2~{s})-3-(1~{h}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid
+C[C@@H](C(=O)O)NC(=O)C1CCCC1	W21	n-(cyclopentanecarbonyl)-l-alanine
+CN1Cc2ccccc2N[C@H](C1=O)CC(=O)O	W22	[(2s)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-2-yl]acetic acid
+c1cc2c(cc1O)CC[N@](C2)S(=O)(=O)C(F)(F)F	W23	2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
+C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)NC	W24	(2s,3s)-n,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide
+CC(=O)N1[C@@H]2CC[C@H]1c3cccnc3C2	W27	1-[(5s,8r)-6,7,8,9-tetrahydro-5h-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one
+CCc1ccsc1c2ccc(c(c2)O)O	W29	4-(3-ethylthiophen-2-yl)benzene-1,2-diol
+C[C@@H]1[C@@H](CCCN1S(=O)(=O)C)C#N	W2A	(2r,3r)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile
+[H]/N=C/[C@H](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[C@@H]3C[C@H](CCN3)O	W2C	(2s,4s)-n-[(2s)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-piperidine-2-carboxamide
+c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)S(=O)(=O)N)OCO2	W2D	2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide
+COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2	W2E	methyl 4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzoate
+c1cscc1[C@H]2CCC[C@H]2C(=O)O	W2G	(1r,2s)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid
+C[C@@H]1C[C@H](CNC1)CO	W2J	[(3r,5r)-5-methylpiperidin-3-yl]methanol
+CN1CCN(CC1)c2ccc(cc2)C(=O)NC3=CC(=CNC3=O)c4ccncc4	W2K	4-(4-methylpiperazin-1-yl)-n-(2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin-3-yl)benzamide
+c1ccc2c(c1)C[C@]3(CCCN3)C(=O)N2	W2M	(2r)-1',4'-dihydro-2'h-spiro[pyrrolidine-2,3'-quinolin]-2'-one
+CN(C)CCCC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F	W2P	n-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide
+c1cc(cc(c1)Oc2ccc(cc2Cl)Nc3c4c(ccn4CCOCCO)ncn3)NC(=O)NC5CCCCC5	W2R	1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5h-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea
+Cc1ccccc1[C@@H]2COC[C@@H]2C(=O)O	W2S	(3r,4r)-4-(2-methylphenyl)oxolane-3-carboxylic acid
+COc1cccc(c1)[C@H]2CCOC[C@H]2C(=O)O	W2V	(3s,4s)-4-(3-methoxyphenyl)oxane-3-carboxylic acid
+C[C@H](CO)[C@H](C(=O)O)OC(=O)[C@H](C(=C)S)NC(=O)CCC[C@@H](C(=O)O)N	W2X	n~6~-[(1r)-1-({[(1r,2r)-1-carboxy-3-hydroxy-2-methylpropyl]oxy}carbonyl)-2-mercaptoprop-2-en-1-yl]-6-oxo-l-lysine
+C[C@H]1[C@H](CCCN1S(=O)(=O)C)C(=O)N	W2Y	(2s,3s)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide
+Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCOC	W30	6-(2-(5-((2-methoxyethyl)(methyl)amino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine
+C[C@@H](c1ccccc1)OC(=O)Cc2ccc(c(c2)SC3=C(C[C@@H](CC3=O)c4c(cccc4Cl)Cl)O)Cl	W31	(1s)-1-phenylethyl (4-chloro-3-{[(4s)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate
+CS(=O)(=O)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)NCC1	W32	4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-n-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7h-pyrimido[4,5-b]azepine-6-carboxamide
+Cc1cc(on1)CCCCCOc2ccc(cc2Cl)C3=NCCO3	W33	5-(5-(6-chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
+COc1cccc(c1)[C@@H]2CCOC[C@@H]2N	W34	(3r,4s)-4-(3-methoxyphenyl)oxan-3-amine
+Cc1cc(on1)CCCCCOc2ccc(cc2)C3=NCCO3	W35	5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl isoxazole
+C[N@@](CCCCCCOc1ccc2c(c1)ccnc2c3ccc(cc3)Br)CC=C	W37	n-(6-{[1-(4-bromophenyl)isoquinolin-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine
+c1c(cn(n1)CC(=O)O)Br	W3A	(4-bromo-1h-pyrazol-1-yl)acetic acid
+C1=CN(C(=O)C=C1Br)CC(=O)O	W3D	(4-bromo-2-oxopyridin-1(2h)-yl)acetic acid
+C1=CC(=O)NN=C1	W3G	pyridazin-3(2h)-one
+C1CNC(=NC1)N	W3J	1,4,5,6-tetrahydropyrimidin-2-amine
+c1c([nH]cn1)C#N	W3M	1h-imidazole-5-carbonitrile
+c1cc2cccnc2nc1	W3P	1,8-naphthyridine
+c1ccn2c(c1)nnc2N	W3S	[1,2,4]triazolo[4,3-a]pyridin-3-amine
+C1CN(CCC1C(=O)O)C(=O)N	W3V	1-carbamoylpiperidine-4-carboxylic acid
+C[C@H]1C(=O)NC(=O)N1c2ccc(cc2)Cl	W3Y	(5s)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
+c1cc(nn2c1nnn2)Cl	W41	6-chlorotetrazolo[1,5-b]pyridazine
+c1c(cc(c(c1Cl)OCCCCCc2cc(no2)COCOCCO)Cl)C3=NCCO3	W42	5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole
+Cc1cc(on1)CCCCCCCOc2ccc(cc2Cl)C3=N[C@H](CO3)C	W43	5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+Cn1c2ccccc2c3c1[C@H]4C[C@@H](C3)NC[C@@H]4O	W44	(2s,5r,6r)-7-methyl-2,3,4,5,6,7-hexahydro-1h-2,6-methanoazocino[5,4-b]indol-5-ol
+c1cn(c2c1cc(c(c2)Cl)Cl)CCCCCNC(=O)CS	W45	n-[5-(5,6-dichloro-1h-indol-1-yl)pentyl]-2-sulfanylacetamide
+Cc1cc([nH]n1)c2cc(ccc2O[C@H]3C[C@@]3(CN)c4ccc(cc4F)F)C(F)(F)F	W47	1-{(1s,2s)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1h-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine
+Cc1ccc(o1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)C(F)(F)F	W4A	5-methyl-~{n}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
+c1ccc(cc1)CN2C=Nc3ccc(cc3C2=O)c4c[nH]nc4	W4D	3-benzyl-6-(1h-pyrazol-4-yl)quinazolin-4(3h)-one
+c1ccc(cc1)CN2C=Nc3cc(ccc3C2=O)c4c[nH]nc4	W4G	3-benzyl-7-(1h-pyrazol-4-yl)quinazolin-4(3h)-one
+c1cc(c(cc1[C@@H](CCN)O)OCC2CCCCC2)F	W4J	(1r)-3-amino-1-[3-(cyclohexylmethoxy)-4-fluorophenyl]propan-1-ol
+CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)CN4CCOCC4)N(CO)O	W4M	(hydroxy{(1s)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1h-benzotriazol-1-yl]ethyl}amino)methanol
+c1ccc(cc1)C[C@@H](C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O	W4N	(1r,4r,5r)-1,4,5-trihydroxy-3-[(1s)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid
+CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O	W4P	n-hydroxy-n-[(1s)-2-{5-[(4-{[2-(hydroxymethyl)-1h-imidazol-1-yl]methyl}phenyl)ethynyl]-1h-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide
+Cn1ccc2c1ncnc2N	W4S	7-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+c1nc2nc3c(c(n2n1)N)CCC3	W4V	6,7-dihydro-5h-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine
+CC(C)OCCN1c2cc[nH]c2C(=O)NC1=S	W4Y	1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4h-pyrrolo[3,2-d]pyrimidin-4-one
+c1nc(c(c(n1)N2CC3CCC2CC3)Cl)N	W51	6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine
+Cc1cc(on1)CCCCCOc2c(cc(cc2Cl)C3=NCCO3)Cl	W54	5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl isoxazole
+Cc1cc(on1)CCCCCOc2ccc(cc2)C3=N[C@H](CO3)C	W56	5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
+COc1cc(on1)Cn2cnc(c-3ncnc23)N	W57	3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3h-purin-6-amine
+CC[C@H]1COC(=N1)c2ccc(cc2)OCCCCCCCc3cc(no3)C	W59	5-(7-(5-hydro-4-ethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+Cc1nc(cs1)Cn2cnc(c-3ncnc23)N	W5A	3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3h-purin-6-amine
+c1c[nH]c2c1c(ncn2)N3CCCCCOCC3	W5D	4-(1,4-oxazonan-4-yl)-7h-pyrrolo[2,3-d]pyrimidine
+c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CC4	W5G	4-(5-azaspiro[2.5]octan-5-yl)-7h-pyrrolo[2,3-d]pyrimidine
+CN(CCC(=O)O)c1c2cc[nH]c2ncn1	W5J	n-methyl-n-7h-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine
+Cn1cnc2c1nc(nc2N)N	W5M	9-methyl-9h-purine-2,6-diamine
+c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)F	W5P	4-[(3r)-3-fluoropiperidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine
+Cc1c(n(c2c1c(ncn2)N)Cc3ccco3)C	W5S	7-[(furan-2-yl)methyl]-5,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+COc1cc(ccn1)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O	W5V	2-(2,6-difluorophenyl)-5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide
+c1ccc(cc1)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	W5Y	5'-o-(l-phenylalanylsulfamoyl)adenosine
+c1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5	W61	1,3-thiazolidin-3-yl[(2s,4s)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone
+Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C	W64	4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC	W66	4-methyl-6-(2-(5-(3-(methylamino)propyl)pyridin-3-yl)ethyl)pyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C	W67	6-(2-(5-(3-(dimethylamino)propyl)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC	W68	6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C	W69	6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
+c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl	W6A	4-chloro-1h-indole-2-carboxylic acid
+c1cc(c2cc[nH]c2c1)C(=O)N	W6D	1h-indole-4-carboxamide
+c1ccc(cc1)S(=O)(=O)Nc2nncs2	W6G	n-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
+c1ccnc(c1)N2CCCNCC2	W6J	1-(pyridin-2-yl)-1,4-diazepane
+Cc1nc(on1)CNC(=O)c2cccc(c2)C(=O)O	W6M	3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid
+c1ccc2c(c1)CC(=O)N2	W6P	1,3-dihydro-2h-indol-2-one
+Cc1ccc(c(c1)CNC(=O)[C@@H]([C@H](C)N)O)C	W6Q	(2~{r},3~{s})-3-azanyl-~{n}-[(2,5-dimethylphenyl)methyl]-2-oxidanyl-butanamide
+c1c[nH]nc1C2CCNCC2	W6S	4-(1h-pyrazol-3-yl)piperidine
+c1ccc(cc1)C(=O)Nc2nccs2	W6V	n-(1,3-thiazol-2-yl)benzamide
+CC(=O)C(F)(F)F	W6X	1,1,1-tris(fluoranyl)propan-2-one
+c1cc2cc(ccc2c(c1)C(=O)O)CCC3=C(NC(=O)NC3=O)C(=O)O	W6Y	5-[2-(5-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CC(C(F)(F)F)(O)O	W6Z	1,1,1-tris(fluoranyl)propane-2,2-diol
+c1ccc(cc1)Oc2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O	W70	2,6-dioxo-5-[2-(4-phenoxyphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
+Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=NCCO3	W71	5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+C1[C@H]([C@@H]([C@H]([N@@]1C[C@@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)CO)O)O	W72	6-deoxy-6-[(2r,3r,4r)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-l-gulonic acid
+c1ccc2c(c1)cc(c3c2cccc3)CCC4=C(NC(=O)NC4=O)C(=O)O	W73	2,6-dioxo-5-[2-(phenanthren-9-yl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
+c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)OC(F)(F)F	W74	2,6-dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1cc(cc(c1)OC)CCC2=C(NC(=O)NC2=O)C(=O)O	W75	5-[2-(3,5-dimethoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O	W76	5-[2-(3-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(cnc1)NC(=O)c2ccc(cc2Cl)Cl	W77	2,4-dichloro-n-(pyridin-3-yl)benzamide
+Cc1cc(nc(c1)N)CCc2cc(cnc2)c3cccc(c3)CNC	W79	4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine
+c1ccc(cc1)c2ccc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O	W7A	2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
+c1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O	W7B	5-[2-(naphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid
+COc1cccc2c1ccc(c2)CCC3=C(NC(=O)NC3=O)C(=O)O	W7C	5-[2-(5-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1cccc2c1cc(cc2)CCC3=C(NC(=O)NC3=O)C(=O)O	W7D	5-[2-(8-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(cc3)CC(C(=O)O)C(=O)O	W7E	2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid
+COc1ccc2cccc(c2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	W7F	5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1ccccc1CCC2=C(NC(=O)NC2=O)C(=O)O	W7G	5-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	W7H	5-[2-(naphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O	W7I	5-[2-(3-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc2cc(ccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)O	W7J	5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1ccc2cc(c(cc2c1)OC)CCC3=C(NC(=O)NC3=O)C(=O)O	W7K	5-[2-(3,6-dimethoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COc1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O	W7L	5-[2-(6-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COC(=O)c1ccc2cc(ccc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	W7M	5-{2-[6-(methoxycarbonyl)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc2cc(ccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)NCCO	W7N	5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(cc(c1)C(=O)O)CCC2=C(NC(=O)NC2=O)C(=O)O	W7O	5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(=O)O	W7P	5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CC(C)(C)OC(=O)N1CCc2c1ccc(c2)CCC3=C(NC(=O)NC3=O)C(=O)O	W7Q	5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1h-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1ccc(cc1)CNC(=O)c2cnccn2	W7S	n-benzylpyrazine-2-carboxamide
+CN(c1c[nH]nc1)C(=O)C23CCC[C@@H]2C3	W7V	(1r,5r)-n-methyl-n-(1h-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
+c1c[nH]c2c1c(ncn2)N3CCC[C@@H]3C4CCC4	W7Y	4-[(2r)-2-cyclobutylpyrrolidin-1-yl]-7h-pyrrolo[2,3-d]pyrimidine
+Cc1cc(nc(c1)N)CCc2cc(cnc2)c3ccc(cc3)CNC	W80	4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine
+CCO[C@@H]1C=CC=C([C@H]1[NH3+])C(=O)[O-]	W81	(5r,6r)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)c3cccc(c3)CNC	W82	6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine
+COCOc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=O)O	W83	5-{2-[7-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=N[C@H](CO3)C	W84	5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+COC(=O)c1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O	W85	5-{2-[3-(methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COC(=O)c1ccc(cc1)CCCCC2=C(NC(=O)NC2=O)C(=O)O	W86	5-{4-[4-(methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+COC(=O)c1cccc2c1ccc(c2)CCCCC3=C(NC(=O)NC3=O)C(=O)O	W87	5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+c1cc2cc(ccc2cc1CCCCC3=C(NC(=O)NC3=O)C(=O)O)C(=O)O	W88	5-[4-(6-carboxynaphthalen-2-yl)butyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@@H](C(=O)N1CCNC1=O)SCC(=O)O	W8A	{[(2s)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid
+c1nc-2c(ncn(c2n1)C[C@H]3CCCO3)N	W8D	3-{[(2r)-oxolan-2-yl]methyl}-3h-purin-6-amine
+c1c[nH]c2c1c(nc(n2)N)N3CCSCC3	W8G	4-thiomorpholino-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+c1nc-2c(ncn(c2n1)CCC[C@H]3CCOC3)N	W8J	3-{3-[(3s)-oxolan-3-yl]propyl}-3h-purin-6-amine
+Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl	W8L	3-(4-chlorophenyl)-5-methylisoquinolin-1(2h)-one
+COCC(=O)Oc1c(cccc1c2[nH]c(c(n2)c3ccccc3Cl)c4ccccc4Cl)CC=C	W8M	2-[4,5-bis(2-chlorophenyl)-1h-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate
+CS[C@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O	W8P	n-hydroxy-n-[(1r)-2-{5-[(4-{[2-(hydroxymethyl)-1h-imidazol-1-yl]methyl}phenyl)ethynyl]-1h-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide
+Cc1cc(on1)CCCCCCCOc2ccc(cc2)C3=N[C@@H](CO3)C	W8R	5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
+Cn1c(cc(n1)c2cccc(c2)OC)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O	W8S	(1,3-dihydro-2h-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1h-pyrazol-5-yl]amino}phenyl)methanone
+Cc1ccccc1c2cc(n(n2)C)Nc3cc(cc(c3C(=O)N4Cc5ccccc5C4)O)O	W8V	(1,3-dihydro-2h-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1h-pyrazol-5-yl]amino}phenyl)methanone
+c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)Br	W8X	{2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
+Cn1c(cc(n1)c2ccccc2)Nc3cc(cc(c3C(=O)N4Cc5cccnc5C4)O)O	W8Y	(5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1h-pyrazol-5-yl)amino]phenyl}methanone
+COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O	W8Z	5-{2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1cc(on1)CCCOc2c(cc(cc2Cl)C3=NCCO3)Cl	W91	5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole
+c1ccc(cc1)n2c(cc(n2)C(F)(F)F)C3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5	W94	[(2s,4s)-4-{4-[1-phenyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]piperidin-1-yl}pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone
+CCC(CC)n1c2c(ncc(n2)C#C)nc1O	W97	6-ethynyl-1-(pentan-3-yl)-1h-imidazo[4,5-b]pyrazin-2-ol
+C[C@@H]1C[C@@H](CN(C1)C(=O)c2csc(n2)Nc3ccc4c(c3)OCO4)C	W99	[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3r,5s)-3,5-dimethylpiperidin-1-yl]methanone
+CCCC(CCC)COc1cc(ccc1F)[C@@H](CCN)O	W9A	(1r)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol
+CC1(c2cc(ccc2C(=O)O1)Nc3ncc(c(n3)N[C@H](CO)c4ccccc4)c5nnco5)C	W9D	5-{[4-{[(1s)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3h)-one
+COCCCCCCCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O	W9G	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol
+CSCC[C@@H](C(=O)O)NC(=O)N	W9J	n-carbamoyl-l-methionine
+CCNC(=O)Nc1cccc2c1cccc2	W9L	1-ethyl-3-naphthalen-1-ylurea
+CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl	W9M	3-(3,4-dichlorophenyl)-1,1-dimethyl-urea
+c1cc(c(cc1n2cnnn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O	W9P	(1~{s},2~{s},3~{r},4~{s},5~{s})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol
+C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N	W9S	(1s,2s,3r,4s,5s)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@]([C@H]2O)(CO)O)CO)O)O)O)O	W9T	4-o-beta-d-galactopyranosyl-beta-d-fructofuranose
+c1cc(c(cc1n2nccn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O	W9V	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-{[(5z)-6-{[2-nitro-4-(2h-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol
+c1cc(c(cc1n2ccnn2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O	W9Y	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1h-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol
+C[C@@H](c1ccc2c(c1)cccn2)c3nnc4n3nc(cc4)c5cnn(c5)C	W9Z	6-{(1s)-1-[6-(1-methyl-1h-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl}quinoline
+c1ccc(cc1)NC(=O)Nc2cnns2	WA1	1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea
+C[C@H](CCNc1c2c(nc[nH]2)ncn1)CO	WA2	(2r)-2-methyl-4-(7h-purin-6-ylamino)butan-1-ol
+c1c(nnn1C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)Cn4cc(nn4)CSC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)S[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)CSC[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)S[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O	WA3	(2s,3r,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-({[(1-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({4-[({[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-2-yl]methyl}sulfanyl)methyl]-1h-1,2,3-triazol-1-yl}methyl)tetrahydro-2h-pyran-2-yl]oxy}tetrahydro-2h-pyran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2h-pyran-2-yl]sulfanyl}tetrahydro-2h-pyran-3,4,5-triol
+[H]/N=C/1\c2cccnc2N(C(=O)C1C(=O)NCc3ccc(cc3F)F)O	WA5	4-azanylidene-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
+c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O	WA7	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1,2,3,4-tetrol
+CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C	WAA	(2s)-2-[[(1r,4ar,4br,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1h-indol-3-yl)propanoic acid
+CC(C)S(=O)(=O)NCCCn1c2ccccc2c3c1[C@@H]4CCCC[N@]4CC3=O	WAC	n-{3-[(12bs)-7-oxo-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-12(2h)-yl]propyl}propane-2-sulfonamide
+CCCCCCCC[C@H](CCCCCCCCC(=O)O)O	WAD	(10r)-10-hydroxyoctadecanoic acid
+Cc1ccc(cc1Cl)Nc2nccc(n2)c3ccnc(c3)N4CCN(CC4)CCN	WAI	4-{2-[4-(2-aminoethyl)piperazin-1-yl]pyridin-4-yl}-n-(3-chloro-4-methylphenyl)pyrimidin-2-amine
+C[n+]1c2ccccc2c(cc1/C=C/c3ccc(c(c3)OC)O)C(=O)N	WAM	2-[(~{e})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinoline-4-carboxamide
+CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(sc3OCC)S(=O)(=O)N	WAN	5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1h-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCCCCC(=O)O)O)O)N	WAQ	pimeloyl-amp
+c1cc(c(cc1NNN)[N+](=O)[O-])NCCOC(=O)NCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O	WAS	2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1s,2s,3r,4s,5s)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate
+c1cc(c(cc1NNN)[N+](=O)[O-])NCCOCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O	WAV	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-{[2-(2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethoxy)ethyl]amino}cyclohexane-1,2,3,4-tetrol
+Cc1cccc(c1N(Cc2cccnc2)S(=O)(=O)c3ccc(cc3)OC)C(=O)NO	WAY	n-hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-benzamide
+Cc1ccc2c(c1)[nH]cc2C(=O)O	WB1	6-methyl-1h-indole-3-carboxylic acid
+CSc1ccccc1C(=O)NCCCC[C@@H](c2[nH]c(cn2)c3ccc4ccccc4c3)NC(=O)c5cncs5	WB4	n-{(1s)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide
+CS(=O)(=O)c1ccc(cc1)CNC(=O)c2cc3c(s2)C4(CCN(CC4)Cc5ccccc5Cl)OCC3	WB7	1-[(2-chlorophenyl)methyl]-n-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide
+c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H](CCCCNC(=O)c4c(cccc4F)O)NC(=O)c5cncs5	WBA	n-{(1s)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1h-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide
+c1cc2c(cc1Cl)nc([nH]2)Cl	WBD	2,5-dichloro-1h-benzimidazole
+COc1ccc(cc1)C2=C(Nc3c(c(nn3C2=O)c4ccccc4)C5=CCCCC5)Nc6ccccn6	WBG	3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one
+c1cc(ccc1C(=O)NC2=CC(=CNC2=O)c3ccncc3)N4CCCCC4	WBI	n-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide
+Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(\C=C)/C(=O)O)O	WBJ	(2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid
+c1ccc(cc1)c2c(nn3c2NC(=CC3=O)Nc4cc[nH]n4)c5ccccc5	WBM	2,3-diphenyl-5-[(1h-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one
+c1ccc(c(c1)c2cccc(c2O)O)O	WBP	3-(2-hydroxyphenyl)benzene-1,2-diol
+c1ccc(cc1)c2c(nn3c2NC(=C(C3=O)c4ccc(cc4)O)Nc5cc[nH]n5)c6ccccc6	WBS	6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1h-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4h)-one
+c1cc(cc2c1ccn2CCc3ccncc3)NC(=O)c4cc(cc(c4)F)N5CCOCC5	WBT	3-fluoro-5-morpholin-4-yl-n-[1-(2-pyridin-4-ylethyl)-1h-indol-6-yl]benzamide
+C1=C(C(=O)NC(=O)N1)N	WBU	5-amino-1h-pyrimidine-2,4-dione
+Cc1c(n(c2c1c(c(c(n2)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)Cc4cnn(c4)C)C	WBV	(2s)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1h-pyrazol-4-yl)methyl]-1h-pyrrolo[2,3-b]pyridin-5-yl}acetic acid
+Cc1nc2c(s1)C(=O)N(C(=O)N2)O	WBY	6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4h,6h)-dione
+C[C@H](c1c(c2cc(ccc2[nH]1)c3ccccc3)CC(P(=O)(O)O)P(=O)(O)O)C(C)C	WC1	(2-{2-[(2s)-3-methylbutan-2-yl]-5-phenyl-1h-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid)
+COc1cc2ccccc2cc1C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O	WC4	(1s)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-o-phosphono-d-ribitol
+c1csc2c1C=CN(C2=S)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	WC7	6-[2-deoxy-5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-erythro-pentofuranosyl]thieno[2,3-c]pyridine-7(6h)-thione
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(cc4)O)O	WCA	p-coumaroyl-coa
+[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45	WCC	fe(3)-ni(1)-s(4) cluster
+CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS[C@@H]1C[C@H]2CC(=O)N2[C@@H]1C(=O)O)O	WCD	(2r,3r,5r)-3-{[2-({n-[(2r)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+c1cc(cc(c1)Cl)C(=O)N	WCE	3-chloro-benzamide
+COc1cc2ccccc2cc1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O	WCG	(1s)-1,4-anhydro-5-o-[(r)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-d-ribitol
+C[C@@H](C(=O)O)N(C)C(=O)[C@H](Cc1ccc(cc1)c2ccccc2)N	WCM	(2s)-2-amino-3-(biphenyl-4-yl)-n-methyl-n-[(2s)-1-oxopropan-2-yl]propanamide (non-preferred name)
+O=[W]1234O[Co]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8	WCO	co-substituted alpha-keggin
+c1cc2c(nc1CNC34CCC(CC3)(OC4)C[C@@]5(CN6c7c5c(cnc7C=CC6=O)F)O)NC(=O)CO2	WCP	(4r)-3-fluoro-4-hydroxy-4-{[(1r,4r)-4-{[(3-oxo-3,4-dihydro-2h-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}-2-oxabicyclo[2.2.2]oct-1-yl]methyl}-4,5-dihydro-7h-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one
+c1cc(ccc1/C=C\2/C(=O)N([C@](N2)(CN)O)CC(=O)O)O	WCR	[(2r,4z)-2-(aminomethyl)-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid
+CN(C)CCCOc1ccc(cc1)c2cc(nc(n2)S(=O)(=O)C)NCCCn3cccn3	WCS	6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-n-[3-(1h-pyrazol-1-yl)propyl]pyrimidin-4-amine
+c1ccc(c(c1)N)Nc2ccc3c(c2)OCO3	WCU	~{n}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
+C#CCNc1nccc(n1)Nc2ccc3c(c2)N(CCC3)C(=O)C4CC4	WCV	cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2h)-yl]methanone
+C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)n3cnc4c3ccc(c4)OC5CCN(CC5)C	WCX	4-{5-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-2-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide
+C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=S)Nc2ccc(cc2)NC(=O)c3cscn3	WCY	n-{4-[({(1s)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}carbamothioyl)amino]phenyl}-1,3-thiazole-4-carboxamide
+C1C[C@@H](C[C@H](C1)F)CNCC(O)O	WD1	2-({[(1s,3s)-3-fluorocyclohexyl]methyl}amino)ethane-1,1-diol
+CN1c2c(n(cn2)CCNC(=O)NS(=O)(=O)C)C(=S)N(C1=O)C	WD7	n-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7h-purin-7-yl)ethyl]carbamoyl}methanesulfonamide
+CN1c2c(n(cn2)Cc3ccc(cc3)CC4C(=O)NC(=O)NC4=O)C(=O)N(C1=O)C	WDA	5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1h,3h,5h)-trione
+CN1c2c([nH]c(n2)NCCN3CCOCC3)C(=O)N(C1=O)C	WDD	1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1h-purine-2,6-dione
+CN1c2c([nH]c(n2)SCCN3CCC(CC3)C(=O)O)C(=O)N(C1=O)C	WDG	1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid
+CN1c2c([nH]c(n2)SCCN3CCS(=O)(=O)CC3)C(=O)N(C1=O)C	WDJ	8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+c1(nc(nc(n1)O)O)O	WDL	1,3,5-triazine-2,4,6-triol
+CN1c2c([nH]c(n2)SCC(=O)N3CCOCC3)C(=S)N(C1=O)C	WDM	1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2h-purin-2-one
+C[C@@H]1C[C@@H](O[C@H](CN1C)C)O[C@H]2[C@@H]([C@H]([C@H](C[C@](C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]2C)[C@@H](C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)C)OC(=O)CC(C)C)C)(C)OC(=O)NC(C)(C)CNS(=O)(=O)c4ccccc4)C)O[C@H]5[C@@H](C(=NOC)C[C@H](O5)C)O)C	WDP	sequanamycin 9
+Cc1c(c(on1)C)c2ccc3c(c2)[C@@H](N(C(=O)N3)C)OCCO	WDR	(4s)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1h)-one
+CCCCCN1C(=O)c2ccc(cc2N=C1SCc3ccccn3)C(=O)N4CCCC4	WDS	3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3h)-one
+c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)O)[N+](=O)[O-]	WDT	2-nitro-5-(phenylsulfonyl)phenol
+c1cc(ccc1CNC(=O)c2c(c([nH]n2)[N+](=O)[O-])Cl)Cl	WDU	4-chloro-n-(4-chlorobenzyl)-5-nitro-1h-pyrazole-3-carboxamide
+c1cc(cc(c1)N2CCN(CC2)Cc3cc(ccc3O)[N+](=O)[O-])C(F)(F)F	WDV	4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol
+Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC=CC3	WDW	3,6-dihydropyridin-1(2h)-yl(5-methyl-1h-indol-2-yl)methanone
+Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)CCO	WDX	[4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1h-indol-2-yl)methanone
+c1cc(cc(c1)NC(=O)c2cccc3c2[nH]nc3)c4cc[nH]n4	WDY	n-[3-(1h-pyrazol-3-yl)phenyl]-1h-indazole-7-carboxamide
+CC(C)[C@@H](C(=O)N1[C@@H](C2(CCC1CC2)O)C(=O)N[C@@H](CC(=O)O)CO)NC(=O)c3ccc4ccccc4c3	WE0	(3~{s})-3-[[(3~{s})-2-[(2~{s})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid
+CC[C@](C)(CNC(=O)Nc1ccc(cc1)C(=O)Nc2nccs2)N3CCOCC3	WE1	4-({[(2r)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-n-(1,3-thiazol-2-yl)benzamide
+c1(c(c(c(c(c1Br)Br)C(=O)O)Br)Br)C(=O)O	WE4	2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid
+Cc1ccccc1c2nc-3c(ncn(c3n2)Cc4c(cccc4Cl)Cl)N	WE7	3-[(2,6-dichlorophenyl)methyl]-8-(2-methylphenyl)-3h-purin-6-amine
+Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)O	WEF	n-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-l-tyrosine
+c1ccc(cc1)c2cc3cc(cnc3[nH]2)c4c[nH]nc4	WEG	2-phenyl-5-(1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]pyridine
+Cc1c([nH]nc1C(=O)Nc2cc3cc([nH]c3nc2)c4ccccc4)C	WEJ	4,5-dimethyl-n-(2-phenyl-1h-pyrrolo[2,3-b]pyridin-5-yl)-1h-pyrazole-3-carboxamide
+CN1C=C2c3cc(c(cc3N(Cc4c2c([nH]c4)C1=O)c5c(cc(cn5)F)F)C(=O)OC)CS(=O)(=O)C	WEM	methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2h-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate
+Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNC(=O)c4cc5c(cc4CS(=O)(=O)C)C6=CN(C(=O)c7c6c(c[nH]7)CN5c8c(cc(cn8)F)F)C)O	WEP	n-[11-({7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2h-2,4,7-triazadibenzo[cd,f]azulene-9-carbonyl}amino)undecanoyl]-3-methyl-l-valyl-(4r)-4-hydroxy-n-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-l-prolinamide
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC	WES	(2s)-3-{[(s)-{[(1s,2s,3r,4s,5s,6s)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9e,9'e)di-octadec-9-enoate
+C[C@@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C	WEV	(5r)-2,4-dideoxy-1-c-{(2s,3r,4s)-3-hydroxy-4-[(2r,3s,4e,6e,9r,10s,11r,12e,14z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-d-threo-pentopyranose
+C(COCCOCC(=O)NCCOCCOCC(=O)O)N	WF1	17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid
+Cc1ccc2c(c1)nc(c(n2)OCc3ccccc3/C(=C\OC)/C(=O)OC)C(F)(F)F	WF3	methyl (2e)-3-methoxy-2-[2-({[6-methyl-3-(trifluoromethyl)quinoxalin-2-yl]oxy}methyl)phenyl]prop-2-enoate
+Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O	WF4	4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
+Cc1cc(n[nH]1)Nc2cc(nc(n2)/C=C/c3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C	WF7	n-{4-[(e)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide
+CC(C)NC1=CC(=O)N(N=C1c2nc[nH]n2)c3ccccc3	WF8	5-isopropylamino-2-phenyl-6-(1h-1,2,4-triazol-5-yl)-3(2h)-pyridazinone
+CCc1c(c(nc(n1)N)N)OCCCNc2ccccc2N3CCC(CC3)C(=O)O	WFA	1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid
+Cc1cc([nH]n1)Nc2cc(nc(n2)c3ccc(cc3)C4CCN(CC4)C(=O)C=C)N5CCN(CC5)C	WFD	1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1h-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one
+CCc1c[nH]c2c1c(ncn2)N3CC[C@@](C3)(CNC(=O)c4ccc(cc4F)F)N	WFE	n-{[(3s)-3-amino-1-(5-ethyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide
+c1cc2c(cc1C3=C(C(=O)OC3)c4ccc(cc4F)F)NC(=O)CO2	WFF	6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2h-1,4-benzoxazin-3(4h)-one
+C[C@H]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4	WFG	6-[(2s)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2h-1,4-benzoxazin-3(4h)-one
+CCc1c(c(nc(n1)N)N)OCC2CN(C2)c3ccccc3N4CCC(CC4)C(=O)O	WFJ	1-[2-(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}azetidin-1-yl)phenyl]piperidine-4-carboxylic acid
+c1cc(cc2c1cc(c(n2)N)Br)O[C@H]3CC[C@]4([C@@H]3O[C@H]([C@@H]4O)n5ccc6c5ncnc6N)O	WFM	(2r,3r,3as,6s,6ar)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3ah-cyclopenta[b]furan-3,3a-diol
+c1c(cc(cc1F)F)C[C@@H](C(=O)O)N	WFP	3,5-difluoro-l-phenylalanine
+Cc1c2ccn(c2ncn1)[C@H]3[C@@H]([C@]4(CC[C@@H]([C@H]4O3)Oc5ccc6cc(c(nc6c5)N)Br)O)O	WFS	(2r,3r,3as,6s,6ar)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3ah-cyclopenta[b]furan-3,3a-diol
+c1c(cc(c2c1nc(c(c2)F)N)F)C[C@@H]3CC[C@]4([C@@H]3C[C@H]([C@@H]4O)n5cc(c6c5ncnc6N)F)O	WFV	(1s,2r,3ar,4s,6ar)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1h)-diol
+Cc1cn(c2c1c(cc(n2)C(=O)N)Cl)[C@@H](C)[C@@]3(CCNC3)F	WFY	4-chloro-1-{(1s)-1-[(3s)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1h-pyrrolo[2,3-b]pyridine-6-carboxamide
+C[C@]1(CCC[C@H]1N2c3c(cnc(n3)NC4CCN(CC4)S(=O)(=O)C)C=C(C2=O)C(F)F)O	WG1	6-(difluoromethyl)-8-[(1r,2r)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1cc(nc2n1ccn2)N3CC[C@@]4(C3)CCN(C4)Cc5cnc(s5)NC(=O)C	WG4	n-(5-{[(5s)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide
+c1c(c2c([nH]1)C(=O)NC=N2)CNCCCP(=O)(O)O	WG7	(3-{[(4-oxo-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid
+c1cc2ccc(nc2c(c1)O)C3=N[C@H](CS3)C(=O)O	WG8	(4s)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
+CC1(CN(C[C@H]1O)c2c(cccn2)F)C	WGA	(3s)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
+Cc1nc(cs1)CN2C[C@H](C[C@H]2CN)F	WGD	1-{(2s,4s)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine
+COc1cccc(c1)CNC(=O)C2=Nc3ccccc3C(=O)N2	WGG	n-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide
+CC1(CN(C[C@@H]1O)c2c(cccn2)F)C	WGM	(3s)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
+CN(C)C(=O)CNc1ccccc1	WGP	n,n-dimethyl-n~2~-phenylglycinamide
+c1cc(c(nc1)NCC2CCOCC2)F	WGS	3-fluoro-n-[(oxan-4-yl)methyl]pyridin-2-amine
+CCOC(=O)c1c(csc1N)c2cccs2	WGT	ethyl 5'-amino[2,3'-bithiophene]-4'-carboxylate
+c1ccc(cc1)C#CCN2CCCCC2	WGV	1-(3-phenylprop-2-yn-1-yl)piperidine
+CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCCCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5	WGX	~{n}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
+CCC(=O)Nc1ccc(cc1)S(=O)(=O)N	WGY	n-(4-sulfamoylphenyl)propanamide
+C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C	WGZ	5-{6-[(1-methylpiperidin-4-yl)oxy]-1h-benzimidazol-1-yl}-3-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide
+CN(CCc1ccccn1)C(=O)c2ccccc2	WH1	n-methyl-n-[2-(pyridin-2-yl)ethyl]benzamide
+CC(C)Nc1cccnc1	WH4	n-(propan-2-yl)pyridin-3-amine
+c1ccc2c(c1)cccc2C[C@H](CC(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O	WH6	2-[(1r)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylic acid
+C[C@@H](CNCc1c(cccc1Cl)Cl)O	WH7	(2r)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
+c1cc2c3c(c1)c(c(cc3COC2)Cl)c4nc(nc(n4)SCCCC(=O)N)N	WHA	4-{[4-amino-6-(5-chloro-1h,3h-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide
+c1cc(ccc1CNCc2ccc(cc2)F)C#N	WHD	4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile
+c1cc(sc1)C(=O)CCc2nnc(s2)N	WHF	3-(5-amino-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylpropan-1-one
+c1conc1CN2CCNCC2	WHG	1-[(1,2-oxazol-3-yl)methyl]piperazine
+COc1cccc(c1)CNC(=O)C2=Nc3ccc(c(c3C(=O)N2)OCCc4ccc(cc4)C(=O)O)F	WHH	4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid
+C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c3c2C=CC(=O)N3)O)O	WHJ	carmoterol
+c1cc(cc(c1)F)CN2CCCS2(=O)=O	WHM	2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione
+C[C@H](c1ccccc1Cl)NS(=O)(=O)C	WHP	n-[(1r)-1-(2-chlorophenyl)ethyl]methanesulfonamide
+Cc1csc(n1)NC[C@H]2CCCO2	WHS	4-methyl-n-{[(2r)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine
+c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)N)Cl)F)Oc3cc(cc(c3)Cl)C#N)Br	WHU	2-azanyl-n-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1h-imidazole-5-carboxamide
+Cc1c(sc(n1)C)[C@@H](C)NC	WHV	(1s)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-n-methylethan-1-amine
+CC/C=C\C[C@@H]1[C@H](C=CC1=O)CCCCCCCC(=O)O	WHW	9s,13r-12-oxophytodienoic acid
+CN(C)Cc1ccc(cc1)C#N	WHY	4-[(dimethylamino)methyl]benzonitrile
+COc1cccc(c1)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N	WI2	1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid
+c1ccc(c(c1)Nc2ncnc(n2)n3cccc3)Cl	WI4	n-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
+Cc1c(c2cccc3c2n1[C@@H](CO3)CN4CCOCC4)C(=O)c5cccc6c5cccc6	WI5	{(3r)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone
+CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CS)O)O)O	WIA	methyl 6-thio-beta-d-galactopyranoside
+CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O	WIN	methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-15-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
+c1ccc(cc1)C[C@@H](C(=O)O)Cl	WJ1	(s)-2-chloro-3-phenylpropanoic acid
+c1ccc(cc1)C[C@H](C(=O)O)Cl	WJ2	(2r)-2-chloro-3-phenylpropanoic acid
+C1COCCN1Cc2c(snn2)Cl	WJ4	4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine
+CN(C)C(=O)c1ccc(cc1Br)F	WJ7	2-bromo-4-fluoro-n,n-dimethylbenzamide
+Cc1cc(no1)CS(=O)(=O)NC	WJA	n-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
+COCC(=O)Nc1ccccc1	WJD	2-methoxy-n-phenylacetamide
+COc1ccc(cc1)[C@@H](c2ccccc2)N	WJG	(s)-1-(4-methoxyphenyl)-1-phenylmethanamine
+C[C@@H](Cc1ccc(cc1)Br)C(=O)N	WJJ	(2r)-3-(4-bromophenyl)-2-methylpropanamide
+c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)N	WJM	2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
+C[C@H](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC	WJP	methyl (3r,6z,10e,14e)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate
+[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[C@H](CO[PH](=O)(O)OC[C@@H](C(=O)O)[NH3])O	WJS	(2~{s})-2-$l^{4}-azanyl-3-[[(2~{r})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid
+Cc1c(sc(n1)NC(=O)NCCOCCC(C)(C)C)C#Cc2ccncc2	WJV	n-[2-(3,3-dimethylbutoxy)ethyl]-n'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea
+C[C@@H](C(=O)NCC(=O)O)S	WJZ	tiopronin
+C/C=C(\C)/[C@H]1C=C[C@H]2C[C@H](C[C@H]([C@@H]2[C@H]1/C(=C\3/C(=O)[C@@H](NC3=O)C[C@@](C)(C(=O)O)O)/O)C)C	WK1	(2s)-3-[(2s,4e)-4-[[(1r,2s,4ar,6s,8r,8as)-2-[(e)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid
+CN(C)C(=O)OCCn1ccnc1	WK4	2-(1h-imidazol-1-yl)ethyl dimethylcarbamate
+c1cc(c(cc1C#N)F)N2CCNCC2	WK7	3-fluoro-4-(piperazin-1-yl)benzonitrile
+CC(=O)Nc1cccc2c1non2	WKA	n-(2,1,3-benzoxadiazol-4-yl)acetamide
+C[C@H](C(=O)N)Oc1ccc(cc1)C#N	WKD	(2r)-2-(4-cyanophenoxy)propanamide
+CC(=O)N1CCCC2(C1)CCCCCC2	WKG	1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one
+c1cc(ccc1CN2CC[C@H](C2)O)Cl	WKJ	(3r)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol
+CC(C)[C@@H](C(=O)N1CCOCC1)N	WKM	(2s)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one
+COc1ccc(cc1)C(=O)C2CCNCC2	WKP	(4-methoxyphenyl)(piperidin-4-yl)methanone
+Cc1cc(nc(n1)C)N2CCNCC2	WKS	2,4-dimethyl-6-(piperazin-1-yl)pyrimidine
+CC(=O)NCc1cc(ccc1OC)Br	WKV	n-[(5-bromo-2-methoxyphenyl)methyl]acetamide
+Cc1cnccc1NC(=O)C	WKY	n-(3-methylpyridin-4-yl)acetamide
+COC(=O)c1ccc(cc1)S	WL1	methyl 4-sulfanylbenzoate
+c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)O	WL3	2-(4-fluorophenyl)carbonylbenzoic acid
+CC(C)C(=O)Nc1cccc(c1)C#N	WL4	n-(3-cyanophenyl)-2-methylpropanamide
+CN(CCO)S(=O)(=O)c1ccc(cc1)N	WL7	4-amino-n-(2-hydroxyethyl)-n-methylbenzene-1-sulfonamide
+C1COCCC1CN2CCNCC2	WLA	1-[(oxan-4-yl)methyl]piperazine
+C[C@@H](CNCc1c(cccc1Cl)Cl)O	WLD	(2s)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
+C1CC2(CC2)CN(C1)C(=O)COC(F)F	WLG	1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one
+CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2	WLH	2-(4-methylpiperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one
+c1cc(c(c(c1)F)C(=O)N2CCCCCC2)F	WLJ	(azepan-1-yl)(2,6-difluorophenyl)methanone
+COc1cccc(c1)CNC(=O)C2=Nc3c(ccs3)C(=O)N2	WLL	n-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide
+CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3OC)Cl	WLM	5-chloro-2-methoxy-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]benzamide
+c1ccc(c(c1)S)Cl	WLP	2-chlorobenzene-1-thiol
+c1cc(sc1)CNCc2ccncc2	WLS	1-(pyridin-4-yl)-n-[(thiophen-2-yl)methyl]methanamine
+C[C@H](C[C@@H](C(=O)O)NC)CO	WLU	(4r)-5-hydroxy-n-methyl-l-leucine
+c1ccc(cc1)OCC(=O)Nc2cccc(c2)F	WLV	n-(3-fluorophenyl)-2-phenoxyacetamide
+Cc1ccc(cc1)CC(=O)NC[C@@H]2CCCO2	WLY	2-(4-methylphenyl)-n-{[(2s)-oxolan-2-yl]methyl}acetamide
+c1ccnc(c1)C(=O)N	WM1	pyridine-2-carboxamide
+C1CCC(CC1)C(=O)N	WM2	cyclohexanecarboxamide
+c1ccc(cc1)S(=O)(=O)NN	WM3	benzenesulfonohydrazide
+c1ccc(cc1)C(=O)NN	WM4	benzohydrazide
+c1ccc(cc1)CN[C@H]2CCNC2	WM7	(3s)-n-benzylpyrrolidin-3-amine
+C[C@@]1(N=C(CCO1)N)c2cccc(c2)c3cccc(c3)Cl	WM9	(2s)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine
+CC[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3	WMA	(3s,6s)-3-ethyl-6-[(1h-indol-3-yl)methyl]piperazine-2,5-dione
+C[C@H](c1ccccc1F)N2CCNCC2	WMD	1-[(1r)-1-(2-fluorophenyl)ethyl]piperazine
+C[C@@H](c1ccccc1F)N2CCNCC2	WMG	1-[(1s)-1-(2-fluorophenyl)ethyl]piperazine
+Cn1ccnn1	WMH	1-methyl-1h-1,2,3-triazole
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-])O	WMJ	1-[[(2r,3s,5s)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea
+c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3	WMM	n-phenyl-4-[(4h-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-thiazol-2-amine
+[B-]12(c3cc(ccc3CO1)[C@@H](c4ccccc4)O)O[C@H]5[C@@H](O[C@H]([C@@H]5O2)n6cnc7c6ncnc7N)COP(=O)(O)O	WMP	[(1r,5r,6r,8s)-6-(6-aminopurin-9-yl)-3'-[(r)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
+CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C	WMR	5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine
+Cc1ncc(s1)CNc2cc(cnc2)F	WMS	5-fluoro-n-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
+Cc1c(c(on1)C)C(=O)NCCC2CCCCC2	WMV	n-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
+c1cc(cc(c1)Cl)C(=O)Nc2ccon2	WMY	3-chloro-n-(1,2-oxazol-3-yl)benzamide
+COc1cccc(c1)C(=O)Nc2ccccc2F	WN1	n-(2-fluorophenyl)-3-methoxybenzamide
+Cc1cccc(n1)NC(=O)[C@@H]2CCCN2	WN4	n-(6-methylpyridin-2-yl)-l-prolinamide
+C[C@H](N)P(=O)(C[C@@H](CCc1ccccc1)C(=O)O)O	WN6	(2s)-2-{[(s)-[(1r)-1-aminoethyl](hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid
+Cc1cc(cnc1)NCc2ccncc2	WN7	5-methyl-n-[(pyridin-4-yl)methyl]pyridin-3-amine
+Cc1ccccc1CNc2nnnn2C	WNA	1-methyl-n-[(2-methylphenyl)methyl]-1h-tetrazol-5-amine
+CC(C)(CNC1CCOCC1)O	WND	2-methyl-1-[(oxan-4-yl)amino]propan-2-ol
+c1ccc(cc1)/C=C\Nc2[nH]c3ccccc3n2	WNG	n-[(z)-2-phenylethenyl]-1h-benzimidazol-2-amine
+O=[W]1234O[Ni]567O[W]89%10(=O)O55P%11%12=O11[W]%13(=O)(O2)(O8)O[W]11(=O)(O3)O[W]238(=O)O%11%11[W](=O)(O6)(O4)(O2)O[W]%112(=O)(O3)O[W]5(=O)(O7)(O9)O[W]34(=O)(O2)O%122[W](=O)(O%10)(O%13)(O3)O[W]2(=O)(O1)(O4)O8	WNI	ni-substituted alpha-keggin
+c1ccnc(c1)NC[C@@H]2CCNC2	WNJ	n-{[(3r)-pyrrolidin-3-yl]methyl}pyridin-2-amine
+c1ccc(cc1)S(=O)(=O)N2CC[C@@H](C2)N	WNM	(3s)-1-(phenylsulfonyl)pyrrolidin-3-amine
+c1ccc2c(c1)C(=O)NC(=N2)C(=O)NCc3cccc(c3)OCCSc4nc[nH]n4	WNN	4-oxo-n-{3-[2-(1h-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide
+c1cc(cc(c1)Cl)NC(=O)C(F)(F)F	WNP	n-(3-chlorophenyl)-2,2,2-trifluoroacetamide
+CCCC(=O)Nc1cccnc1Cl	WNS	n-(2-chloropyridin-3-yl)butanamide
+Cc1cccc(c1C)C(=O)N(C)C	WNV	n,n,2,3-tetramethylbenzamide
+CC(=O)N1CCN(CC1)c2ccc(cc2)Cl	WNY	1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one
+CN1CCC[C@H](C1)OC(=O)c2ccco2	WO1	(3r)-1-methylpiperidin-3-yl furan-2-carboxylate
+[O][W]1234O[W]567(O[W]89%10(O5[P]5%11O%12[W]%13%14(O6)(O[W]6%15(O1)(O[W]1%16%17(O6[P]6%18O2[W]2(O8)(O3)(O[W]38%19(O6[W](O3)(O1)(O[W]136(O5[W](O8)(O1)(O9)(O[W]15(O%10)(O%118[W](O7)(O%13)(O1)(O[W]8(O3)(O5)(O[W]%12(O%16)(O%14)(O6)[O])[O])[O])[O])[O])[O])(O[W]13(O%17)(O%185[W](O4)(O%15)(O1)(O[W]5(O2)(O%19)(O3)[O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O]	WO2	octadecatungstenyl diphosphate
+O=[W]=1=2(=O=[W]=3(=O1=[W](=O2)(=O3)(=O)(=O)=O)(=O)(=O)=O)(=O)=O	WO3	tri-tungsten(vi) oxide complex
+[O-][W](=O)(=O)[O-]	WO4	tungstate(vi)ion
+O[W](O)(O)(O)O	WO5	tungstate(vi) ion
+[O-][W](=O)([O-])[O-]	WO6	trioxido(oxo)tungsten
+CC(=O)N1CCCNCC1	WO7	1-(1,4-diazepan-1-yl)ethan-1-one
+CN[C@H]1CCCN(C1=O)c2ccccc2	WOA	(3s)-3-(methylamino)-1-phenylpiperidin-2-one
+CC(C)(CC(=O)O)C(=O)O	WOC	2,2-dimethylbutanedioic acid
+C1CNC[C@@H]1c2nc(no2)C3CC3	WOD	3-cyclopropyl-5-[(3r)-pyrrolidin-3-yl]-1,2,4-oxadiazole
+COc1ccccc1c2cc(nc(n2)N)Cl	WOE	4-chloro-6-(2-methoxyphenyl)pyrimidin-2-amine
+CCCC/C(=C/COP(=O)(O)O)/C	WOG	(2e)-3-methylhept-2-en-1-yl dihydrogen phosphate
+C[C@H]1CN(CC[C@H]1N)S(=O)(=O)C	WOJ	(3s,4r)-3-methyl-1-(methylsulfonyl)piperidin-4-amine
+c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N	WOM	picloram
+C([C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O	WOO	beta-l-allopyranose
+CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)N[C@@H](c3ccccc3)C(=O)NCc4ccccc4	WOP	5-[[methyl-[[(1s)-2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]carbamoyl]amino]methyl]-1,3-benzodioxole-4-carboxylic acid
+Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCOCC3	WOS	4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine
+c1ccc(cc1)[NH3+]	WOT	phenylazanium
+Cc1ccc(n1c2ccc(cc2C(=O)O)O)C	WOV	2-(2,5-dimethyl-1h-pyrrol-1-yl)-5-hydroxybenzoic acid
+Cc1ccccc1CN(c2ccc(c(c2)Cl)C#N)[C@H]3CC[N@@](C3)S(=O)(=O)C	WOW	2-chloro-4-{(2-methylbenzyl)[(3s)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile
+c1c2c(ncn1)NCC2	WOY	6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidine
+CC1(Cc2cccc(c2O1)C(=O)N)C	WP1	2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
+c1ccc(cc1)CN[C@@H]2CCNC2	WP4	(3r)-n-benzylpyrrolidin-3-amine
+CC1=Nc2ccc(cc2[C@@H](N1CC(=O)OC)c3ccccc3)Br	WP5	methyl [(4s)-6-bromo-2-methyl-4-phenylquinazolin-3(4h)-yl]acetate
+CC1=Nc2ccc(cc2[C@@H](N1Cc3ccccc3)c4ccccc4)Cl	WP6	(4s)-3-benzyl-6-chloro-2-methyl-4-phenyl-3,4-dihydroquinazoline
+CC1=Nc2ccc(cc2[C@@H](N1CCN3CCN(CC3)C(=O)c4ccco4)c5ccccc5)Cl	WP7	(4s)-6-chloro-3-{2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethyl}-2-methyl-4-phenyl-3,4-dihydroquinazoline
+CO[C@H](c1ccccc1)[C@@H](C(=O)O)N	WPA	(betar)-beta-methoxy-l-phenylalanine
+c1ccc2c(c1)c3nc-4[n+]5c(nc6c7ccccc7c8n6[Fe]59n3c2nc-1[n+]9c(n8)-c2c1cccc2)-c1c4cccc1	WPC	[29h,31h-phthalocyaninato(2-)-kappa~4~n~29~,n~30~,n~31~,n~32~]iron
+CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)C[C@H](C(F)F)C(=O)O	WPD	(2s)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
+CC1=Nc2ccc(cc2[C@@H](N1CCNC(=O)c3ccco3)c4ccccc4)Cl	WPE	n-{2-[(4s)-6-chloro-2-methyl-4-phenylquinazolin-3(4h)-yl]ethyl}furan-2-carboxamide
+Cc1ccc(cc1)[C@H]2c3cc(ccc3N=C(N2CCCN(C)C)C)Cl	WPF	3-[(4s)-6-chloro-2-methyl-4-(4-methylphenyl)quinazolin-3(4h)-yl]-n,n-dimethylpropan-1-amine
+c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N	WPG	(3-{(3r,4r)-3-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-4-[(2r)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropy l)phosphonic acid
+CN(C)CCOc1ccc(cc1)c2cc3c(ncnc3o2)NCCc4ccc(cc4)NC(=O)Nc5ccccc5	WPH	1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea
+COc1cc(cc(c1OC)OC)C=CCCCN2CCCN(CC2)CCC/C=C/c3cc(c(c(c3)OC)OC)OC	WPI	1,4-bis[(4e)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane
+CCc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)C[C@@H](C(F)F)C(=O)O	WPJ	(2r)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
+C[C@H]1C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O	WPL	(1~{s},3~{s},4~{r},5~{r})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
+Cc1cc2cn[nH]c2c(c1)S(=O)(=O)N(C)CC(=O)NC3=CC(=O)N(C=C3)C	WPM	n~2~-methyl-n~2~-[(5-methyl-1h-indazol-7-yl)sulfonyl]-n-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O	WPP	piperacillin
+Cc1c(c([nH]n1)N)C#N	WPS	5-amino-3-methyl-1h-pyrazole-4-carbonitrile
+c1c(cncc1Br)CN	WPV	1-(5-bromopyridin-3-yl)methanamine
+CC(=O)Nc1nccs1	WPY	n-(1,3-thiazol-2-yl)acetamide
+Cc1ccncc1CO	WQ1	(4-methylpyridin-3-yl)methanol
+Cc1nc(c(o1)N)C#N	WQ4	5-amino-2-methyl-1,3-oxazole-4-carbonitrile
+C1=CC(=O)N(C=C1)CCN	WQ7	1-(2-aminoethyl)pyridin-2(1h)-one
+c1c2c[nH]nc2ncc1N	WQA	2h-pyrazolo[3,4-b]pyridin-5-amine
+C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)NC=O	WQD	udp-4-deoxy-4-formamido-beta-l-arabinopyranose
+c1ccc2c(c1)C(=O)NC=N2	WQG	quinazolin-4(3h)-one
+c1c(cnc2c1COCC2)N	WQJ	7,8-dihydro-5h-pyrano[4,3-b]pyridin-3-amine
+CNC(=O)C1C=CC(=O)N=C1	WQM	(3s)-n-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide
+CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)OP(=O)(O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O	WQP	5-(acetylamino)-3,5-dideoxy-2-o-phosphono-d-erythro-l-manno-nononic acid
+Cc1c(c(on1)C)C2=C(N(C(=O)C(=C2)C(=O)NCc3ccc(cc3)S(=O)(=O)C)c4cccc(c4)Cl)C	WQQ	1-(3-chlorophenyl)-5-(3,5-dimethylisoxazol-4-yl)-6-methyl-n-[4-(methylsulfonyl)benzyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
+c1cc2c(cc1F)[C@@H](C(=O)N2)CC(=O)O	WQS	2-[(3s)-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid
+CC(=O)NC1=CC(=CNC1=O)Br	WQV	n-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide
+c1ccc2c(c1)cc(cn2)CN	WQY	1-(quinolin-3-yl)methanamine
+C[C@H](C(=O)CCO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2	WR1	nalpha-[(benzyloxy)carbonyl]-n-[(1r)-4-hydroxy-1-methyl-2-oxobutyl]-l-phenylalaninamide
+CC(C)C[C@H]([C@H](CNC(=O)c1nccs1)C(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C	WR2	(2r,3r)-n^1^-[(1s)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-n^4^-hydroxy-2-(2-methylpropyl)-3-{[(1,3-thiazol-2-ylcarbonyl)amino]methyl}butanediamide
+Cc1ncc(n1CCOC(=O)N[C@H](C(Cl)(Cl)Cl)Nc2ncccn2)[N+](=O)[O-]	WR7	2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl [(1r)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate
+CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C	WRA	6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine
+CC1(N=C(N=C(N1OCCCOc2ccc(cc2)Br)N)N)C	WRB	1-[3-(4-bromo-phenoxy)-propoxy]-6,6-dimethyl-1.6-dihydro-[1,3,5]triazine-2,4-diamine
+c1cc2c(c(c1)O)CCC[C@H]2N	WRD	(5r)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol
+[H]/N=C(\NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O)NC(=O)C)/NC(=O)NC	WRG	(2s)-2-[[(2s)-2-acetamido-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid
+c1ccc2c(c1)C=C(CO2)C(=O)N	WRJ	2h-1-benzopyran-3-carboxamide
+CNC(=O)Cn1cnc2c1cccc2	WRM	2-(1h-benzimidazol-1-yl)-n-methylacetamide
+c1cc(cc(c1)C(F)(F)F)CCC2=C(NC(=O)NC2=O)C(=O)O	WRO	2,6-dioxo-5-{2-[3-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@H](C(C)(C)n1cc(c2c1cccc2)[C@H]([C@@H](C(=O)O)N)O)O	WRP	(betar)-beta-hydroxy-1-[(3r)-3-hydroxy-2-methylbutan-2-yl]-l-tryptophan
+C[C@@H](C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O)O	WRR	4-hydroxy-3-[(1s,3r)-3-hydroxy-1-phenylbutyl]-2h-chromen-2-one
+C[C@H](C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O)O	WRS	4-hydroxy-3-[(1s,3s)-3-hydroxy-1-phenylbutyl]-2h-chromen-2-one
+Cc1ccc(cc1F)NC(=O)N[C@@H](C)CO	WRV	n-(3-fluoro-4-methylphenyl)-n'-[(2s)-1-hydroxypropan-2-yl]urea
+Cc1c(cc2ccc(cc2n1)F)C(=O)NC	WRY	7-fluoro-n,2-dimethylquinoline-3-carboxamide
+c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O	WS1	6-(1-beta-d-glucopyranosyloxymethyl)-n-(5'-deoxyluridine-5'-yl)picolinamide
+c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@H]4[C@H]([C@H]([C@H]([C@H](O4)CO)O)O)O	WS2	6-(1-beta-d-galactopyranosyloxymethyl)-n-(5'-deoxyluridine-5'-yl)picolinamide
+c1cc(nc(c1)C(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O	WS3	5'-deoxy-5'-[({6-[(alpha-d-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine
+Cn1cc(cn1)C(=O)Nc2ccc(cc2)O	WS4	n-(4-hydroxyphenyl)-1-methyl-1h-pyrazole-4-carboxamide
+CC12CCCC(=O)C1=NC3=C(N2)N=C(NC3=O)N	WS6	(9as)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3h,7h)-dione
+CC12CCCCC1=NC3=C(N2)N=C(NC3=O)N	WS7	(9as)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3h)-one
+c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N	WSA	5'-o-[(l-tryptophylamino)sulfonyl]adenosine
+CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N	WSD	6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3h)-one
+CCn1cc(cn1)NC(=O)c2ccc(cc2)F	WSG	n-(1-ethyl-1h-pyrazol-4-yl)-4-fluorobenzamide
+Cc1nnc2n1-c3ccccc3C(=N[C@H]2NC(=O)OCc4ccccc4)c5ccccc5	WSH	benzyl [(4r)-1-methyl-6-phenyl-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate
+CC1=C(C(=O)N(N1C)c2ccccc2)NS(=O)(=O)C	WSJ	n-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)methanesulfonamide
+CN(C)C[C@@H](Cn1c2ccc(cc2c3c1ccc(c3)Br)Br)O	WSK	(2s)-1-(3,6-dibromo-9h-carbazol-9-yl)-3-(dimethylamino)propan-2-ol
+c1ccc2c(c1)N(C(=O)CO2)CCCN	WSM	4-(3-aminopropyl)-2h-1,4-benzoxazin-3(4h)-one
+O=[Mo]12(=O)(=O)O[Mo]34(=O)(=O)[O+]1[Mo]567(=O)[O+]2[Mo]89(=O)(=O)[O+2]51[Mo]2(=O)(=O)(O8)O[Mo]5(=O)(=O)(=O)[O+]2[Mo]11(=O)([O+2]36[Mo](=O)(=O)([O+]51)(O4)O7)O9	WSQ	octamolybdate
+CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC	WSS	tri(methyl)-[2-[[(2~{r})-2-[(~{z})-octadec-9-enoyl]oxy-3-[(~{e})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium
+c1cc(c2c(c1)O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O	WST	(3as,4r,9br)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-9-ol
+Cc1nc(n(n1)CCC(=O)O)C	WSY	3-(3,5-dimethyl-1h-1,2,4-triazol-1-yl)propanoic acid
+C(C[C@@H](C(=O)O)N)CNC(=N)C=O	WT2	(s)-2-amino-5-(2-oxoacetimidamido)pentanoic acid
+CSC[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N	WT4	n-[(5s)-5-amino-5-carboxypentanoyl]-l-homocysteyl-s-methyl-d-cysteine
+CCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	WT7	5'-o-[(s)-butoxy(hydroxy)phosphoryl]adenosine
+CCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	WTA	5'-o-[(s)-ethoxy(hydroxy)phosphoryl]adenosine
+c1ccc(cc1)CC2=Nc3c(cnn3C4CCCC4)C(=O)N2	WTC	6-benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
+COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3c(cccc3F)F)O	WTD	2-(2,6-difluorophenyl)-5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide
+CCS(=O)(=O)c1ccccc1C(=O)N2CCN(C[C@@H]2C)c3nc4ccc(cc4s3)F	WTF	[2-(ethylsulfonyl)phenyl][(2s)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone
+COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3F)O	WTG	2-(2-fluorophenyl)-5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide
+c1cc(ccc1c2cc(cnc2N)c3c4c(cs3)OCCO4)C(=O)N	WTI	4-[2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridin-3-yl]benzamide
+CN(C)CCNC(=O)c1cc(cnc1N)c2c3c(cs2)OCCO3	WTJ	2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-n-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
+COc1cc(ccn1)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3F)O	WTM	2-(2-fluorophenyl)-5-hydroxy-n-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide
+CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC[C@H]4CCCO4)Cl	WTP	5-chloro-n~2~-[4-(4-methylpiperazin-1-yl)phenyl]-n~4~-{[(2r)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine
+C[C@H]([C@](C)(C(=O)O)O)O	WTZ	(2r,3r)-2,3-dihydroxy-2-methylbutanoic acid
+Cc1c(c(on1)C)c2ccn3c(c2)nc(c3NC4CCCCC4)CCc5ccc(c(c5)Cl)OC	WU1	2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{n}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine
+C[C@H]1CCC[C@]23N1C[C@@]4(Cc5c6cccc(c6[nH]c5C([C@H]4C2)(C)C)CC=C(C)C)NC3=O	WU4	(6ar,7as,11s,13as)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5h,13h-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one
+CCCCCCCCCCCCC/C=C/[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCCCC)O	WU7	(4s,7s,17z)-4-hydroxy-7-[(1s,2e)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium
+CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](/C=C/CCCCCCCCCCCCC)O	WUA	(4r,7s)-4-hydroxy-7-[(1s,2e)-1-hydroxyhexadec-2-en-1-yl]-n,n,n-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium
+c1ccc2c(c1)N[C@H]3[C@@H](CC=CC3=N2)C(=O)O	WUB	(1r,10as)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid
+Cc1c([nH]c(n1)C)CN	WUG	1-(2,4-dimethyl-1h-imidazol-5-yl)methanamine
+c1cc(oc1)CNC(=O)N	WUJ	n-[(furan-2-yl)methyl]urea
+c1cc2c(cc1Br)c3c(o2)C(=O)NC(=N3)CN4CC[C@@H](C4)O	WUL	8-bromanyl-2-[[(3s)-3-oxidanylpyrrolidin-1-yl]methyl]-3h-[1]benzofuro[3,2-d]pyrimidin-4-one
+CN(C)Cc1csc(n1)N	WUM	4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
+c1cc(ccc1CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O)CO)Cl	WUN	2-amino-4-o-(4-chlorobenzyl)-2-deoxy-alpha-d-glucopyranose
+c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4)C=C9)c1ccccc1	WUP	5,15-diphenylporphyrin containing fe
+Cc1[nH]c2c(n1)C[C@@H](CC2)N	WUS	(5r)-2-methyl-4,5,6,7-tetrahydro-1h-benzimidazol-5-amine
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CS)O	WUV	5'-thiothymidine
+c1ccc(cc1)NC(=O)NCCN	WUY	n-(2-aminoethyl)-n'-phenylurea
+C[C@H](c1ccc(cc1)NC(=O)C2CC2)N	WV1	n-{4-[(1r)-1-aminoethyl]phenyl}cyclopropanecarboxamide
+CCNc1ccc(cc1F)S(=O)(=O)C	WV4	n-ethyl-2-fluoro-4-(methylsulfonyl)aniline
+c1cc2c(cc1O)CCN(C2)C(=O)C(F)(F)F	WV7	2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
+c1cc2c(cc1CN)nc(n2CCCC(F)(F)F)CN3c4cc(ccc4C5(C3=O)CC5)F	WVA	1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1h-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'h)-one
+Cc1c(scn1)C(=O)N2CCNC(=O)C2	WVD	4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one
+c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6F)F	WVH	4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-n-[(2r)-3-(1h-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide
+Cc1c(c([nH]n1)N)c2cccs2	WVI	3-methyl-4-(thiophen-2-yl)-1h-pyrazol-5-amine
+C[C@H](C=C(C)C)[C@@H](C(=O)O)N	WVL	(2s,3r)-2-amino-3,5-dimethylhex-4-enoic acid
+C#CC1=C2C=CC3=[N]2[Fe]45n6c1ccc6C(=C7[N]4=C(C=C7)C(=C8N5C(=C3c9ccccc9)C=C8)C#C)c1ccccc1	WVP	5,15-bisethynyl-10,20-diphenylporphyrin containing fe
+c1ccc(c(c1)c2cccc(c2)C(=O)O)F	WVV	3-(2-fluorophenyl)benzoic acid
+C[P@](=O)(OC1CCCCC1)F	WW2	cyclohexyl (s)-methylphosphonofluoridoate
+c1cc(ccc1/N=N/N2CCCCCC2)S(=O)(=O)N	WW3	4-[(e)-azepan-1-yldiazenyl]benzenesulfonamide
+c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN	WW7	n-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide
+C[N@@](CCCN(C)C)[C@H]1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5)Cl)c6ccccc6	WW8	n-[(3s)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1h-imidazol-5-yl]-1h-indol-2-yl}carbonyl)pyrrolidin-3-yl]-n,n',n'-trimethylpropane-1,3-diamine
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CC(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O	WWF	c2-1-hydroxy-3-methyl-butyl-thiamin
+c1ccc(cc1)S(=O)(=O)c2ccc(s2)S(=O)(=O)N	WWL	5-(phenylsulfonyl)thiophene-2-sulfonamide
+c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	WWO	3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N	WWV	4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
+c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F	WWX	2,3,6-trifluoro-5-{[(1r,2s)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
+c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)F	WWZ	4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide
+[H]/N=C(\N)/NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CO)Cl)NS(=O)(=O)Cc3ccccc3	WX5	(2s)-1-[(2r)-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]-n-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
+[B-]1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)(O)O	WXM	2-[(3~{r},6~{s})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid
+c1ccc(cc1)C2=C3C=CC4=[N]3[Fe]56n7c2ccc7C=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1	WXP	5,10,15-triphenylporphyrin cpntaining fe
+CNC(=O)c1c2ccc3cnc(nc3c2n(n1)C)NC4CCN(CC4)S(=O)(=O)C	WXV	n,1-dimethyl-8-{[1-(methylsulfonyl)piperidin-4-yl]amino}-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide
+Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl	WY1	2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid
+c1c(nc2n1c3c(s2)CCC3)[C@H]4C(=CN=C(CS4)C(=O)O)C(=O)O	WY2	(6,7-dihydro-5h-cyclopenta[d]imidazo[2,1-b]thiazol-2-yl]-4,7-dihydro[1,4]thiazepine-3,6-dicarboxylic acid
+c1cc2c(cc1O)OC(=O)C=C2CN3CCOCC3	WY3	7-hydroxy-4-(morpholinomethyl)chromen-2-one
+c1c(nc2n1CCOC2)[C@H]3C(=CN=C(CS3)C(=O)O)C=O	WY4	7-(5,6-dihydro-8h-imidazo[2,1-c][1,4]oxazin-2-yl)-6-formyl-2,7-dihydro- [1,4]thiazepine-3-carboxylic acid
+Cc1cc2c(cc1c3cc4c(cc3O)OC(=O)C(=C4)C(=O)O)C(CCC2(C)C)(C)C	WY5	7-oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid
+CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4cccc(c4)C#CCN)O)O)NC(=O)C	WYD	~{n}-[(2~{r},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-4-[[1-[[3-(3-azanylprop-1-ynyl)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide
+Cn1cc(c2c1nccc2N3CCN(CC3)C)/C=C\4/C(=O)c5c(cc(cc5O4)O)O	WYE	(2z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1h-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2h)-one
+COc1ccc2c(c1)c(c3n2CCNC3)/C=C\4/C(=O)c5c(cc(cc5O4)O)O	WYF	(2z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2h)-one
+C#CC1=C2C=CC3=C(C4=[N]5C(=Cc6ccc7n6[Fe]5(N23)[N]8=C1C=CC8=C7c9ccccc9)C=C4)c1ccccc1	WYP	5-ethynyl-10,20-diphenylporphyrin containing fe
+CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)NC(=O)OC(C)C	WYQ	propan-2-yl {[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1h-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}carbamate
+CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	WYV	myristoyl coenzyme a
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O	WZ1	methyl 3-s-alpha-d-mannopyranosyl-3-thio-alpha-d-mannopyranoside
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)S[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O	WZ2	methyl alpha-d-mannopyranosyl-(1->3)-[alpha-d-mannopyranosyl-(1->6)]-3-thio-alpha-d-mannopyranoside
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@H]3O)OC)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CS[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)CO)O)O)CO)O)O	WZ4	methyl 2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1->2)-alpha-d-mannopyranosyl-(1->3)-[alpha-d-mannopyranosyl-(1->6)-6-thio  -alpha-d-mannopyranosyl-(1->6)]-beta-d-mannopyranoside
+CCOCCOc1cc2c(cc1n3c4ccc(cc4nc3C(F)(F)F)C(=O)O)C(CCC2(C)C)(C)C	WZ6	1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
+c1cnc(cc1C(=O)N)NC2CC=CC2	WZ7	2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)OS(=O)(=O)N)OC	WZA	(9beta,14beta,17beta)-17-hydroxy-2-methoxyestra-1,3,5(10)-trien-3-yl sulfamate
+CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OS(=O)(=O)N)C	WZB	(9beta,13alpha,14beta,17alpha)-2-ethylestra-1(10),2,4-triene-3,17-diyl disulfamate
+C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)O)OC	WZC	(13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate
+c1ccc2c(c1)[nH]c(n2)NCc3ccco3	WZD	n-[(furan-2-yl)methyl]-1h-benzimidazol-2-amine
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC)O	WZG	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(methylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name)
+CC[C@@H](C)[C@@H](C(=O)O)NC	WZJ	n-methyl-l-alloisoleucine
+CN(c1ccc(nn1)C(=O)N)C2CCC2	WZM	6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide
+C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@@](=O)(OP(=O)(O)O)S)O)OC	WZO	[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate
+CC(C)C(=O)N1CCN(CC1)C(C)C	WZP	2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
+CC(=O)N1CCC(CC1)NCCc2ccccc2	WZS	1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one
+c1ccc(cc1)COP(=O)(O)O	WZT	(phenylmethyl) dihydrogen phosphate
+C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F	WZV	5-(2,2,2-trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((s)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide
+COc1ccc(cc1)NC(=O)CN	WZY	n-(4-methoxyphenyl)glycinamide
+COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)[n+]6cn(c7c6C(=O)NC(=N7)N)[C@H]8C[C@@H]([C@H](O8)COP(=O)(O)O)O)O	X	2'-deoxy-n7-(8,9-dihydro-9-hydroxy-10-dehydroxy-aflatoxin)guanosine monophosphate
+C[Si](C)(c1cc(cc(c1)SC)C(=O)N2CCC(CC2)c3cccc(c3)CN)O[Si](C)(C)c4cc(cc(c4)SC)C(=O)N5CCC(CC5)c6cccc(c6)CN	X00	{(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
+c1cc(c(cc1C#N)c2ncnc(n2)N)O	X01	3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile
+C=CCNc1nc(c(s1)C(=O)c2ccccc2)N	X02	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone
+CCC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1	X03	(5r)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide
+Cc1c(c(c(c(n1)N)COP(=O)(O)O)C=O)O	X04	(2-amino-4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
+C1C[N@@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)N	X05	amino-castanospermine
+c1cc(c(cc1Cl)c2nc(nc(n2)N)N)O	X06	4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol
+c1cc(cnc1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]	X07	5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+C1C[N@]2[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)CN	X09	amino-australine
+c1ccc(cc1)Nc2nc(nc(n2)N)c3cc(ccc3O)Cl	X0A	2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
+c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5nc(c(s5)CCCOc6ccc(cc6)CN)C(=O)O	X0B	5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid
+CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCC(C)C)C(=O)O	X0D	(r)-2-(3-(3-((2,4-difluoropenyl)ethynyl)benzoyl)-3-propylureido)-3-(isobutylthio) propanoic acid
+C1CC1c2nc(on2)CN3CCOCC3	X0G	4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
+CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5cccc(c5)c6ccccc6	X0J	4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-n-{[4-({(1r)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide
+CC(=O)N[C@H]1Cc2ccccc2NC1	X0M	n-[(3s)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide
+CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3ccccc3cc2C(=O)NCc4ccc(cc4)OC	X0P	2-methoxy-6-[[[3-[(4-methoxyphenyl)methylcarbamoyl]naphthalen-2-yl]methyl-methyl-amino]methyl]benzoic acid
+c1cc(cc(c1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N)C#N	X0Q	5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
+CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCc3ccc(cc3)Br)C(=O)O	X0R	(r)-3-(4-bromobenzylthio)-2-(3-(3-((2,4-difluorophenyl)ethynyl)benzoyl)-3-propylureido)propanoic acid
+CNS(=O)(=O)c1ccccc1Cl	X0S	2-chloro-n-methylbenzene-1-sulfonamide
+CN1c2c(n(cn2)C[C@@H](CO)O)C(=O)N(C1=O)C	X0T	7-[(2s)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
+c1c2c(cc3c1OCCO3)sc(n2)N	X0U	6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
+c1cc(c(cc1C(F)(F)F)N)N	X0V	4-(trifluoromethyl)benzene-1,2-diamine
+Cc1nc2cc(c(cc2s1)OC)OC	X0W	5,6-dimethoxy-2-methyl-1,3-benzothiazole
+[C@@H]1([C@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O	X0X	beta-d-talopyranuronic acid
+CN1c2c[nH]cc2C(=O)N(C1=O)C	X0Y	1,3-dimethyl-1h-pyrrolo[3,4-d]pyrimidine-2,4(3h,6h)-dione
+c1ccc(c(c1)c2nc(nc(n2)N)N)O	X11	2-(4,6-diamino-1,3,5-triazin-2-yl)phenol
+[H]/N=C(\N)/NCCC[C@H](C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccc(cc1)O)C(=O)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N/[H])/N)N)NC(=O)[C@@H](Cc3ccc(cc3)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N\[H])/N)N)NC(=O)[C@@H](Cc4ccc(cc4)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(=N\[H])/N)N)N	X12	2-[[(2s)-2,6-bis[[(2s)-2,6-bis[[(2r)-2-[[(2r,3r)-2-[[(2r)-2-amino-5-carbamimidamido-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoic acid
+C[N+](C)(C)CCCCCCCCCCCCCSS(=O)(=O)C	X13	n,n,n-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium
+CCC(C)(C)[C@@H]1CCc2c(c([nH]n2)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C1	X14	(5r)-5-(2-methylbutan-2-yl)-n-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide
+C([C@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O	X15	1,3-bisphosphoglyceric acid
+Cc1nc2cc(ccc2c(n1)N)c3cccc(c3)S(=O)(=O)NC(=O)[C@H]([C@@H](C)O)N	X16	n-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-l-threoninamide
+Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)C34CC5CC(C3)CC(C5)C4	X17	(5s)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4h-imidazol-4-one
+CCC(C)(C)[C@H]1CCc2c(c([nH]n2)C(=O)NC)C1	X19	(5s)-n-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2h-indazole-3-carboxamide
+Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C	X1A	n-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide
+CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C	X1E	(2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
+CC(C)CC(=O)NCc1ccc2c(c1)OCO2	X1G	n-[(2h-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide
+COc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O	X1H	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl](4-methoxyphenyl)methanone
+CC(=O)N1Cc2ccc(cc2C1)N	X1J	1-(5-amino-1,3-dihydro-2h-isoindol-2-yl)ethan-1-one
+CNCc1cccc(n1)OC	X1M	1-(6-methoxypyridin-2-yl)-n-methylmethanamine
+Cc1nc2c(s1)-c3c(cnc(n3)N=C4CC=CC(=C4)[N+](=O)[O-])CC2	X1N	2-methyl-n-[(1z)-3-nitrocyclohexa-2,4-dien-1-ylidene]-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-8-amine
+C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O	X1P	1-o-phosphono-alpha-d-xylopyranose
+CCCS(=O)(=O)CCC(=O)O	X1R	3-(propylsulfonyl)propanoic acid
+C(CS(=O)(=O)O)C(=O)O	X1S	3-sulfopropanoic acid
+[C@@H]1([C@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)O)O)O	X1X	alpha-d-talopyranuronic acid
+C1CCC(CC1)N2CC[C@H](N[C@H]2O)O	X1Y	(2r,4r)-1-cyclohexylhexahydropyrimidine-2,4-diol
+CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnco3)Nc4ccc(cc4Cl)C(=O)N(C)C	X20	tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate
+CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)c5cncn5C	X21	tert-butyl 6-{[2-chloro-4-(1-methyl-1h-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1h-pyrazol-4-yl)-1h-pyrrolo[3,2-c]pyridine-1-carboxylate
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CO)N	X22	(3s,6s,7s,9as)-6-{[(2s)-2-aminobutanoyl]amino}-n-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide
+CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N	X23	(3s,6s,7r,9as)-6-{[(2s)-2-aminobutanoyl]amino}-7-(aminomethyl)-n-(diphenylmethyl)-5-oxooctahydro-1h-pyrrolo[1,2-a]azepine-3-carboxamide
+CC(C)(C)OC(=O)NCC1CCC(CC1)CNC(=O)c2cc(nc3c2cccc3)c4ccc(cc4)CN	X24	tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-yl}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate
+Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5	X25	4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine
+CC(C)Oc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C	X26	11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C	X27	2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+c1ccc(cc1)Cc2ccc(c(c2)c3cccc(c3)CCC(=O)O)C(=O)N	X28	3-(5'-benzyl-2'-carbamoylbiphenyl-3-yl)propanoic acid
+c1cc2nnc(n2cc1Br)c3cc(c(cc3O)O)Cl	X29	4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol
+c1cc(cc(c1)C2CCN(CC2)C(=O)c3cccc(c3)NC(=O)[C@]4(C5(CCC5)O[C@@](O4)(C(=O)Nc6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)C9(CCC9)O)O)CN	X2A	(6s,8r)-n,n'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide
+Cc1cccc(c1)[C@@H]2C[C@H]2NCCO[C@H]3CNC[C@H]3Cc4cc(cc(n4)N)C	X2C	4-methyl-6-{[(3r,4r)-4-(2-{[(1r,2s)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@@H]3C[C@H]3c4cccc(c4)Cl	X2D	6-{[(3r,4r)-4-(2-{[(1r,2s)-2-(3-chlorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@H](C)Cc3cccc(c3)F	X2E	6-{[(3r,4r)-4-(2-{[(2r)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O	X2F	2-deoxy-2-fluoro-alpha-d-xylopyranose
+c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)F)/C=C/C#N	X2G	4-{3-[(e)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate
+c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)/C=C/C#N	X2J	4-{3-chloro-5-[(e)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate
+Cc1cc([nH]c1\C=C/2\c3cc(ccc3NC2=O)N)C	X2K	(3z)-5-amino-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one
+COc1ccc(cc1)\C=C/2\c3cc(ccc3NC2=O)N	X2L	(3z)-5-amino-3-[(4-methoxyphenyl)methylidene]-1,3-dihydro-2h-indol-2-one
+Cc1cc([nH]c1\C=C/2\c3ccccc3NC2=O)C	X2M	(3z)-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one
+CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5C[C@](OC5)(Cn6cncn6)c7ccc(cc7F)F	X2N	posaconazole
+CC[C@@H](C)C(c1ccccc1)(c2ccccc2)SC[C@@H](C(=O)O)N	X2O	(2r)-2-amino-3-[(2r)-2-methyl-1,1-diphenyl-butyl]sulfanyl-propanoic acid
+C[C@@H](CN1C(=O)C2=C3CCN(C(=O)C3=C(C(=O)N2[C@@]14CC[C@@H]5[C@H]4C5)O)Cc6ccc(c(c6)Cl)F)O	X2P	(1r,2r,5s)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2s)-2-hydroxypropyl]-9',10'-dihydro-2'h-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'h)-trione
+c1cc(c(cc1OS(=O)(=O)F)OCCN2C=CC(=O)NC2=O)Oc3cc(cc(c3)Cl)C#N	X2S	4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate
+c1cc2cc(ccc2c(c1)Oc3ccc(cc3OCCN4C=CC(=O)NC4=O)OS(=O)(=O)F)C#N	X2V	4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethoxy]phenyl sulfurofluoridate
+CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O	X2W	n-acetyl-l-glutamyl 5-phosphate
+CC(=O)[C@@](C)(C(=O)O)O	X2X	(2s)-2-hydroxy-2-methyl-3-oxobutanoic acid
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O	X2Y	2,4-di-o-sulfo-alpha-l-fucopyranose
+CCN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C	X30	11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O	X32	n-[(r)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-l-leucyl-l-phenylalanine
+B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCCS(=O)(=O)N	X33	carborane inhibitor
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)OS(=O)(=O)O	X34	4-o-sulfo-alpha-l-fucopyranose
+C=CCNc1nc(c(s1)C(=O)c2cccnc2)N	X35	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
+c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccccc3)N	X36	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone
+CC(C)(C)c1ccc(cc1)CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+]	X37	4-(4-tert-butylbenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium
+c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl	X39	4-amino-n-(4-chlorobenzyl)-1-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
+c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccnc3)N	X3A	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
+Cc1cc(cc(c1OS(=O)(=O)C)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F	X3G	4-{[5-fluoro-4-(3-{[(3r)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1h-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate
+CC[C@@H]1CCC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]([C@@H](C)C/C=C/C)OC)O	X3H	pironetin
+C(CNC(=O)C[C@](CC(=O)O)(C(=O)O)O)N	X3J	(2s)-2-{2-[(2-aminoethyl)amino]-2-oxoethyl}-2-hydroxybutanedioic acid
+CC(C)(C)c1ccc(cc1)CC[C@@](CC(=O)O)(C(=O)O)O	X3M	(2r)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid
+CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCC[N](C)(C)C	X3P	[(2~{r})-1-octanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] nonanoate
+Cc1c(cc(s1)C(=O)NC2COC2)n3cc(cn3)NC(=O)Nc4c(cccc4Cl)F	X3S	4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-5-methyl-n-(oxetan-3-yl)thiophene-2-carboxamide
+c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cc(sc3)C(=O)NC4COC4)Cl	X3V	4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(oxetan-3-yl)thiophene-2-carboxamide
+C([C@@H](COP(=O)(O)OC[C@H](CO)O)O)O	X3X	bis[(2s)-2,3-dihydroxypropyl] hydrogen phosphate
+c1cc(c(c(c1)Cl)NC(=O)Nc2cnn(c2)c3cc(sc3)C(=O)NC4COC4)F	X3Y	4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1h-pyrazol-1-yl)-n-(oxetan-3-yl)thiophene-2-carboxamide
+c1cc(cnc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	X40	4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCC)CO[P@@](=O)(O)[O-]	X41	1-myristoyl-2-myristoleoyl-sn-glycero-3-phosphate
+c1cc(cc(c1)F)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	X42	4-{[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	X43	4-{[4-amino-5-(3-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+c1cc(ccc1C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)S(=O)(=O)N	X44	4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cccnc4	X45	(5s)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4h-imidazol-4-one
+COc1cccc(c1)C(=O)c2c(nc(s2)Nc3ccccc3)N	X46	[4-amino-2-(phenylamino)-1,3-thiazol-5-yl](3-methoxyphenyl)methanone
+CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCC3)C(=O)c4c[nH]cn4	X47	n-(4-tert-butylphenyl)-n-[(1r)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1h-imidazole-4-carboxamide
+c1ccc(cc1)C2=NC(=O)C(=CC2)O	X48	3-hydroxy-6-phenylpyridin-2(5h)-one
+C1[C@@H]([C@](O[C@@H]1O)(COP(=O)(O)O)O)O	X4A	[(2r,3s,5s)-2,3,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl	X4B	4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4nc(c5n4cccn5)C	X4C	8-methyl-6-[2-(5-methyl-1-phenyl-1h-benzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine
+Cc1ccc2c(c1)nc(n2c3ccccc3)CCc4ncc5n4nccc5	X4D	7-[2-(5-methyl-1-phenyl-1h-benzimidazol-2-yl)ethyl]imidazo[1,5-b]pyridazine
+Cc1cc(cc(c1OCCO)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F	X4G	(3r)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1h-pyrrol-3-yl]methyl}pyrrolidin-3-ol
+c1cncnc1O[C@@H]2C[C@@H]3CO[P@](=O)(O[C@@H]4[C@@H]([C@@H](CO[P@](=O)(O[C@H]3C2)S)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)S	X4M	(2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+c1cnc(cc1C(=O)N)Cl	X4P	2-chloropyridine-4-carboxamide
+C1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)S[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)S[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)O)O)O)O	X4S	beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyr  anose
+CN(C)c1ccnc(c1)N	X4V	n~4~,n~4~-dimethylpyridine-2,4-diamine
+C1CCC(CC1)[C@@H]2C[C@@H](ON2)N	X4Y	(3s,5r)-3-cyclohexyl-1,2-oxazolidin-5-amine
+Cc1nc2ccsc2c(n1)N=C3C4=C(C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C)N=N3	X4Z	(3e)-n-[(1s)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)imino]-4,6-dihydropyrrolo[3,4-c]pyrazole-5(3h)-carboxamide
+CC(NCCCCN)(O)O	X51	1-[(4-aminobutyl)amino]ethane-1,1-diol
+CCc1c(c(nc(c1C#N)SCc2ccc(cc2)N(C)S(=O)(=O)C)N(C)CCNC)C#N	X52	n-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino)ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-n-methylmethanesulfonamide
+CC(NCCCCNCCCN)(O)O	X54	1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol
+COc1cc(c(cc1O)Br)[C@@H]2N(C(=O)CS2)Cc3ccccc3	X55	(2r)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one
+CC1=C[C@H](N(C[C@@H]1NO[C@@H](C(=O)O)F)C=O)C(=O)N	X57	(2r)-({[(3r,6s)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid
+CC(=O)NCCCCN	X5A	n-(4-aminobutyl)acetamide
+c1cncnc1O[C@@H]2C[C@@H]3COP(=O)(O[C@@H]4[C@@H]([C@@H](COP(=O)(O[C@H]3C2)O)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)O	X5D	(2r,5r,7r,8r,10s,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+Cc1cc(cc(c1OCCN2CCCC2)C)Nc3nccc(n3)n4cc(c(c4)CN5CC(C5)O)C	X5G	1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1h-pyrrol-3-yl}methyl)azetidin-3-ol
+c1cncnc1N[C@@H]2C[C@@H]3CO[P@](=O)(O[C@@H]4[C@@H]([C@@H](CO[P@](=O)(O[C@H]3C2)S)O[C@H]4n5cnc6c5N=C(NC6=O)N)O)S	X5J	(2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2h,10h-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+CCN(CC)c1ccc(cc1[N](=O)O)C2=NNC(=O)C[C@H]2C	X5M	(4~{r})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{h}-pyridazin-6-one
+C1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)S[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)S[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)S[C@@H]5CO[C@H]([C@@H]([C@H]5O)O)O)O)O)O	X5S	beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyranosyl-(1->4)-4-thio-beta-d-xylopyr  anosyl-(1->4)-4-thio-beta-d-xylopyranose
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X5Y	tert-butyl [(2s)-1-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)Cl)C(=O)N	X62	4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide
+c1c(c(cc(c1[N+](=O)[O-])NCCO)NCc2cnc(nc2)N)C(=O)N	X63	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-[(2-hydroxyethyl)amino]-5-nitrobenzamide
+c1ccc(c(c1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)[N+](=O)[O-]	X64	4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
+c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])S(=O)(=O)N	X65	5-nitro-2-[(4-sulfamoylbenzyl)amino]benzamide
+c1cc(c(cc1O)c2nc(nc(n2)N)N)O	X66	2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol
+c1cc(c(cc1F)c2nc(nc(n2)N)N)O	X67	2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol
+COc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2	X69	4-methoxy-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)N)C(=O)N	X6A	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-chloro-5-nitrobenzamide
+c1cc(cc(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	X6B	4-amino-n-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
+CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O	X6C	(2s,4r)-1-ethanoyl-n-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
+c1cc(ccc1CN2CCOCC2)c3[nH]c4c(n3)c(c(cn4)Br)N5CCN(CC5)Cc6ccc(cc6)Cl	X6D	6-bromo-7-[4-(4-chlorobenzyl)piperazin-1-yl]-2-[4-(morpholin-4-ylmethyl)phenyl]-3h-imidazo[4,5-b]pyridine
+Cc1cc(cc(c1)Nc2nccc(n2)n3cc(c(n3)C)CN4CC(C4)O)C	X6G	1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X6J	tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+c1cc(cc(c1)O)c2nc3c4cccnc4oc3c(n2)N5CCOCC5	X6K	3-(4-morpholin-4-ylpyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol
+c1ccc(cc1)c2ccc(cc2)C(=O)CSc3[nH]c4c(n3)C(=O)NC(=N4)N	X6L	2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,9-dihydropurin-6-one
+Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CNC(=O)c4ccc(c(c4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C6C(F)(F)F)N7C[C@H](N([C@H](C7)C)C)C)F)O	X6M	n-(6-fluoro-3'-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonyl]amino}-4'-[(3r,5s)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-carbonyl)glycyl-3-methyl-l-valyl-(4r)-4-hydroxy-n-{(1s)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-l-prolinamide
+Cn1cccc1c2cccc(c2)C(=O)O	X6P	3-(1-methylpyrrol-2-yl)benzoic acid
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X6S	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X6V	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CNCc1cc(nn1C)c2ccccc2	X6W	methyl-3-methyl-5-phenyl-2h-pyrazol-4-methyl amine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O	X6X	2-amino-2-deoxy-alpha-d-galactopyranose
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)O	X6Y	2-o-sulfo-alpha-l-fucopyranose
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSC[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X71	tert-butyl [(2s)-1-{[(2r)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cncnc2)C(=O)N	X72	4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide
+c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2ccc(nc2)Cl	X73	2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide
+CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X74	tert-butyl [(2r)-1-(naphthalen-1-yl)-3-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+c1cc(ncc1CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl)Cl	X75	4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide
+c1ccc(c(c1)C(=O)N)NCc2cccnc2	X76	2-[(pyridin-3-ylmethyl)amino]benzamide
+CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)c4c[nH]cn4	X77	n-(4-tert-butylphenyl)-n-[(1r)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1h-imidazole-4-carboxamide
+[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O	X7A	[(5r)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)
+CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCCc4cccnc4	X7D	tert-butyl [(2s)-1-(naphthalen-1-yl)-3-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
+CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)[C@H](c3ccc(c(c3)F)F)O	X7E	(4r)-5-[(s)-(3,4-difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydropyrimidine-2(1h)-thione
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)cnn4C)CN5CC(C5)O	X7G	1-[(3-methyl-1-{2-[(1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X7J	tert-butyl [(2r)-1-{[(2r)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X7M	tert-butyl [(2s)-1-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+C[C@@H]1C[C@@H](N[C@H]1C(=O)O)N	X7O	5-amino-3-methyl-pyrrolidine-2-carboxylic acid
+CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCCc3cccnc3	X7P	tert-butyl [(2r)-1-{[(2s)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
+C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)c5ccco5	X7V	n-([1,1'-biphenyl]-4-yl)-n-[(1r)-2-oxo-2-{[(1s)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4C)C	X7Y	2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC	X81	1-stearoyl-2-oleoyl-sn-glycero-3-phosphate
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCO	X84	4-[(3-hydroxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCN3CCOCC3	X85	4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+COCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2	X86	4-[(3-methoxypropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCN	X87	4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
+c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cnccn2	X88	5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide
+c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl	X89	1-[(2r)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazole
+[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)NC)(O)(O)O	X8A	[(5r)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)
+CC1=CC2=NNC(=O)N2c3c1cccc3	X8D	5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
+CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccncc4	X8E	5-methyl-8-pyridin-4-yl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)Cl)CN5CC(C5)O	X8G	1-[(1-{2-[(3-chloro-1-methyl-1h-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+CC1=CC2=NNC(=O)N2c3c1cc(cc3)c4cccc(c4)O	X8I	7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
+CCN1c2cnc(nc2N(c3ccccc3C1=O)C)Nc4ccc(cc4OC)N5CCN(CC5)C	X8J	5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+CC(C)[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3)C	X8M	ipratropium
+CC1=CC=CC2=[N]1[Ru]34([N]5=C(C=CC=C5)C6=[N]3C(=CC=C6)C7=CC=CC=[N]47)([N]8=C2C=CC=C8C)[N]9=CC=CC(=C9)CCCNC(=O)[C@@H](Cc1ccccc1)SC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	X8P	(tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappan)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~n~1~,n~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~n~1^{1~},n~2^{1~},n~3^{1~})ruthenium
+CC1=CC=CC2=[N]1[Ru]34([N]5=CC=CC=C5C6=[N]3C(=CC=C6)C7=CC=CC=[N]47)([N]8=C2C=CC=C8C)[N]9=CC(=CC=C9)CNC(=O)CCSC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C	X8S	(tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappan)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~n~1~,n~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~n~1^{1~},n~2^{1~},n~3^{1~})ruthenium
+c1ccc(cc1)CCCCc2c(nc(s2)c3ccc4c(c3)/C(=N/Nc5nc6ccccc6s5)/CCC4)C(=O)O	X8U	2-[(8e)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5h-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid
+[H]/N=C(\c1ccc(cc1)c2ccc(s2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N	X8V	2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1h-indole-6-carboximidamide
+c1cc(ccc1/C=C/C(=O)c2c(cc(cc2O)O)O)O	X8W	(2e)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
+c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCCCN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O	X8Y	(1s,2s,3r,4s,5s)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
+C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O	X8Z	l-captopril
+CCCCCCCCCCCCCCCCC(=O)O	X90	heptadecanoic acid
+C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@H](CCc3ccccc3)C(=O)O	X92	ramiprilat
+C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O	X93	trandolaprilat
+CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O	X94	perindoprilat
+c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)O	X95	(s)-1-n2-(1-carboxy-3-phenylpropyl)-l-lysyl-l-tryptophan
+c1cc(ccc1CN)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]	X96	2-{[4-(aminomethyl)benzyl]amino}-5-nitrobenzamide
+c1ccc(cc1)C2(C(=O)N(C(=O)N2)CCCC(=O)N3CCC[C@H]3C(=O)N4CCCC4)c5ccccc5	X97	3-{4-oxo-4-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione
+c1ccc(cc1)C2=Nc3ccccc3N(C2=O)CCC(=O)N4CCC[C@H]4C(=O)N5CCCC5	X98	1-{3-oxo-3-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1h)-one
+c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)N3CC(C[C@H]3C(=O)N4CCCC4)(F)F	X99	2-{3-[(2s)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2h)-dione
+Cc1c(c(c(c[nH+]1)COP(=O)(O)O)/C=[NH+]/[C@@-](C[C@]2(c3ccccc3NC2=O)O)C(=O)O)[O-]	X9D	4-[(e)-({1-carboxy-2-[(3r)-3-hydroxy-2-oxo-2,3-dihydro-1h-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
+CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3cccc4c3cn[nH]4	X9F	n^4^-1h-indazol-4-yl-n^2^-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine
+Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(c(n4C)C)Cl)CN5CC(C5)O	X9G	1-[(1-{2-[(3-chloro-1,2-dimethyl-1h-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1h-pyrazol-4-yl)methyl]azetidin-3-ol
+c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])C(=O)O	X9I	4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid
+CC(C)(C)c1nc(on1)C(=O)NCc2ccc(cc2F)c3ccnc4c3[nH]c(n4)c5cnn(c5)C	X9J	3-tert-butyl-n-({2-fluoro-4-[2-(1-methyl-1h-pyrazol-4-yl)-1h-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
+Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3ccnc4c3[nH]c(n4)c5ccc(cc5)C(=O)N6CCOCC6	X9M	4-tert-butyl-n-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1h-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide
+Cc1c(cnn1C(C)C)c2[nH]c3c(ccnc3n2)c4ccc5c(c4)CCC[C@@H]5NC(=O)c6nc(no6)C(C)(C)C	X9P	3-tert-butyl-n-[(1s)-6-{2-[5-methyl-1-(propan-2-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
+C[C@@H](C1N=C(C(=O)N1CC(=O)O)Cc2ccccc2)N	X9Q	{(2s)-2-[(1s)-1-aminoethyl]-4-benzyl-5-oxo-2,5-dihydro-1h-imidazol-1-yl}acetic acid
+Cc1c(cnn1C2CCOCC2)c3[nH]c4c(n3)c(ccn4)c5ccc6c(c5)CCC[C@H]6NC(=O)c7nc(no7)C(C)(C)C	X9S	3-tert-butyl-n-[(1r)-6-{2-[5-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]-3h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
+Cc1c(cn(n1)C2CCOCC2)c3[nH]c4c(ccnc4n3)c5ccc6c(c5)CCC[C@@H]6NC(=O)c7nc(no7)C(C)(C)C	X9V	3-tert-butyl-n-[(1s)-6-{2-[3-methyl-1-(oxan-4-yl)-1h-pyrazol-4-yl]-1h-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
+C([C@H]([C@H]([C@H]([C@H](CO)O)O)O)O)O	X9X	d-allitol
+Cc1c(c(n(n1)C(C)C)C)c2[nH]c3c(n2)c(ccn3)c4ccc5c(c4)CCCC[C@H]5NC(=O)c6nc(no6)C(C)(C)C	X9Y	3-tert-butyl-n-[(5r)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1h-pyrazol-4-yl]-3h-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
+c1c(cc(c(c1F)F)F)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl	XA0	4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide
+[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(cc2)Cl)(C(=O)O)N)(O)(O)O	XA1	{(5r)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-)
+[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(c(c2)Cl)Cl)(C(=O)O)N)(O)(O)O	XA2	(r)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid
+Cc1cc2cc(n1)-c3cnn(c3OCCC[C@H](CN\4c5cc(ccc5N/C4=N\C2=O)CN6CCN(CC6)C)C)C	XA4	(20r)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15h,17h-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6h)-one
+c1cc(ccc1C[C@@H](C(=O)O)N)C(=O)N	XA6	(2s)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid
+CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC	XA7	tetrahexyl ammonnium
+C[C@H]([C@@H](c1nccs1)N)O	XAA	(1s,2s)-1-amino-1-(1,3-thiazol-2-yl)propan-2-ol
+CCCN1c2c([nH]c(n2)c3ccc(cc3)OCC(=O)NCCN)C(=O)N(C1=O)CCC	XAC	n-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1h-purin-8-yl)phenoxy]acetamide
+c1nc(c2c(n1)n(cn2)[C@H]3CC[C@@H]([C@H](O3)COP(=O)(O)O)O)N	XAD	9-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-9h-purin-6-amine
+c1c2c(cc3c1ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)ncnc2N	XAE	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3h-imidazo[4,5-g]quinazolin-8-amine
+Cc1cccc(n1)c2c(c[nH]n2)c3ccc(c(c3)c4ccc(cc4)S(=O)(=O)CCO)F	XAF	2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{h}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol
+CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCN)O	XAG	n-{2-[(2-aminoethyl)sulfanyl]ethyl}-n~3~-[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)ONC(=O)[C@H](CCCCN)N)O)O)N	XAH	5'-o-{(r)-hydroxy[(l-lysylamino)oxy]phosphoryl}adenosine
+CCOC(=O)c1c(c(c[nH]1)Cc2ccc(c3c2ocn3)C(F)(F)F)C	XAJ	ethyl 3-methyl-4-{[4-(trifluoromethyl)-1,3-benzoxazol-7-yl]methyl}-1h-pyrrole-2-carboxylate
+c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](C=C3)COP(=O)(O)O)O)N	XAL	[(1s,4r,6r)-6-hydroxy-4-(adenin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+Cc1c(c(c([nH]1)C(=O)N[C@@H](C)[C@@]2(C[C@@H](O[C@@H]([C@H]2O)C)O[C@@H]3CCC(=C)[C@H]4[C@H]3C=C[C@@H]([C@@H]4C(=O)C5=C([C@@H](N(C5=O)[C@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)C)OC(=O)N)OC(=O)C)OC)C(C)C)O)C)O)Cl)Cl	XAM	(1r,4as,5s,6s,8ar)-5-{[(5s)-1-(3-o-acetyl-4-o-carbamoyl-6-deoxy-2-o-methyl-alpha-l-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1h-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-c-[(1s)-1-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-d-ribo-hexopyranoside
+c1[nH]c2c(n1)C(=O)NC(=O)N2	XAN	xanthine
+CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N)O)O	XAO	cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylamide
+C(CN)CON	XAP	3-aminooxy-1-aminopropane
+c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](C=C3)COP(=O)(O)O)O)N	XAR	[(1r,4s,6s)-4-(6-amino-9h-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@@]12O[C@@]1(C[C@H](CC2(C)C)O)C)/C)/C)/C=C/C=C(/C=C/[C@@]34O[C@@]3(C[C@H](CC4(C)C)O)C)\C	XAT	(3s,5r,6s,3's,5'r,6's)-5,6,5',6'-diepoxy-5,6,5',6'- tetrahydro-beta,beta-carotene-3,3'-diol
+c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F	XAV	2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5h-thiopyrano[4,3-d]pyrimidin-4-ol
+C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)(=S)(S2)O)OP(=O)(O)O	XAX	{[(5ar,8r,9ar)-2-amino-4-oxo-6,7-di(sulfanyl-kappas)-3,5,5a,8,9a,10-hexahydro-4h-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(hydroxy)oxo(thioxo)molybdenum
+Cc1ccc(cc1)C(=O)Nc2cccc(c2)C[C@@H](C#N)C(=O)Nc3ccccc3C(=O)O	XAY	2-{[(2s)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid
+Cc1cc(n2c(n1)cc(n2)N)C	XAZ	5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
+CN1c2c(nc([nH]2)SCCCNC(=S)NCCN3CCOCC3)C(=O)N(C1=O)C	XB1	n-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1h-purin-8-yl)sulfanyl]propyl}-n'-[2-(morpholin-4-yl)ethyl]thiourea
+COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F	XB7	1-[(4-fluorophenyl)methyl]-n-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1h-benzimidazol-2-amine
+c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)OCC4CC4	XBA	7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3h)-one
+C1C[C@H](CN=C1)N	XBB	(3s)-2,3,4,5-tetrahydropyridin-3-amine
+CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(c5ccccc5C(=O)N4CC(F)(F)F)C	XBD	2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
+C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)O	XBG	(2s,3as,6as)-octahydrocyclopenta[b]pyrrole-2-carboxylic-acid
+CC(C)([C@@H]1CNC[C@H]1Nc2c3cc(c(cc3nc(n2)c4cc(ccc4O)F)OC)OC)O	XBJ	4-fluoro-2-(4-{[(3s,4r)-4-(1-hydroxy-1-methylethyl)pyrrolidin-3-yl]amino}-6,7-dimethoxyquinazolin-2-yl)phenol
+C[C@@H]1C\C=C\C=C\C=C\C=C\[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C\C=C\C=C\C(=O)O1)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O	XBK	4,5-de-epoxypimaricin
+Cc1nnc2n1nc(c3c2cccc3)N4CCc5ccccc5C4	XBL	6-(3,4-dihydroisoquinolin-2(1h)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
+CC(C)[C@@H](C(=O)NO)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c2cc(cc(c2)Cl)Cl	XBM	n-[(3,5-dichlorophenyl)sulfonyl]-l-phenylalanyl-n-hydroxy-l-valinamide
+O=[Mo]123(=O)O[Mo]45(=O)(=O)[O+2]16[Mo]7(=O)(=O)(O2)O[Mo]89(=O)(=O)[O+]7[Mo]612(O3)[O+]4[Mo]3(=O)(=O)([O+2]81[Mo](=O)(=O)(O3)(O9)O2)O5	XBO	heptamolybdate
+C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O	XBP	xylulose-1,5-bisphosphate
+c1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)CCC(=O)O)c4ccc(cc4)Cl	XBR	3-(1-(4-chlorophenyl)-3,4-dihydro-1h-pyrido(3,4-b)indol-2(9h)-yl)propanoic acid
+B(c1ccc(cc1)/C=C/c2cccc(c2)C(=O)O)(O)O	XBS	3-[(e)-2-(4-boronophenyl)ethenyl]benzoic acid
+CC[C@@H](C)C1=NCCS1	XBT	2-[(1r)-1-methylpropyl]-4,5-dihydro-1,3-thiazole
+COC(=O)[C@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O	XBU	methyl (2~{r})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate
+c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)[C@H]3C[N@](C[C@@H]3C(=O)Nc4ccc(cn4)Cl)CC(F)F	XBV	(3r,4r)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide]-4-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenyl]-amide}
+Cc1cc(no1)[C@@H](C)NC(=O)c2c(c(c[nH]2)Cc3ccc(cc3)C(F)(F)F)C	XBY	3-methyl-n-[(1r)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1h-pyrrole-2-carboxamide
+Cc1ccc(c(c1)C)C	XBZ	1,2,4-trimethylbenzene
+C1CN(C(=O)N=C1N)[C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O	XC	[(2~{r},3~{r},5~{r})-5-(6-azanyl-2-oxidanylidene-4,5-dihydropyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
+CCC[C@@H](C(=O)NO)NC(=O)[C@H]([C@@H](C)CC)NS(=O)(=O)c1cc(cc(c1)Cl)Cl	XC1	n-[(3,5-dichlorophenyl)sulfonyl]-l-isoleucyl-n-hydroxy-l-norvalinamide
+c1ccc2c(c1)cccc2CC3=C(C(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O)CN6CCOCC6	XC2	(3r)-8-cyclopropyl-6-(morpholin-4-ylmethyl)-7-(1-naphthylmethyl)-5-oxo-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
+[B+](/C=C/C[C@H]1CN(C[C@]1(C(=O)O)N)C(=O)[C@H](C)N)(O)(O)O	XC3	[(~{e})-3-[(3~{s},4~{r})-4-azanyl-1-[(2~{s})-2-azanylpropanoyl]-4-carboxy-pyrrolidin-3-yl]prop-1-enyl]-tris(oxidanyl)boranium
+c1ccc2c(c1)nnn2OC(=O)c3ccc4c(c3)cc[nH]4	XC4	1-[(1h-indole-5-carbonyl)oxy]-1h-benzotriazole
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O	XC5	2'-deoxy-5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine
+Cc1c(c[nH]c1C(=O)N[C@H](C)c2nc[nH]n2)C3(CC3)c4ccc(nc4)C(F)(F)F	XC7	3-methyl-n-[(1r)-1-(1h-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide
+C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)O)C)C	XCA	(8alpha,10alpha,25s)-3-hydroxycholesta-3,5-dien-26-oic acid
+S1[Fe]2[S@@]([Fe]3[S@@]2[Fe]1[S@]3[Ni])[Fe]	XCC	fe(4)-ni(1)-s(4) cluster
+Cc1cc(no1)[C@@H](C)NC(=O)c2c(c(c[nH]2)c3c[nH]c4c3ccc(c4)C(F)(F)F)C	XCD	3-methyl-n-[(1r)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1h-indol-3-yl]-1h-pyrrole-2-carboxamide
+COc1cc(c2c(c1OC)O[C@@H](C=C2)C3CC3)Cc4cnc(nc4N)N	XCF	5-[[(2r)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl]pyrimidine-2,4-diamine
+c1ccc2c(c1)cc(o2)c3[nH]ccn3	XCG	2-(2-benzofuranyl)-2-imidazoline
+Cc1cc(ccc1OCCCC(=O)NO)Cl	XCH	droxinostat
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C[Se]P(O)O)O	XCI	[(2~{s},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylselanylphosphonous acid
+CS(=O)(=O)c1ccc2c(c1)sc(n2)NC(=O)Cc3csc(n3)n4cccc4	XCJ	n-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1h-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide
+C1[C@H](C=C[C@H]([C@@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N	XCL	[(1s,4r,6r)-6-hydroxy-4-(cytosin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+Cc1cc(n[nH]1)[C@@H](C)NC(=O)c2c(c(c[nH]2)C3(CC3)c4ccc(nc4)C(F)(F)F)C	XCM	3-methyl-n-[(1r)-1-(5-methyl-1h-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide
+C([C@@H](C(=O)O)N)SC#N	XCN	s-cyano-l-cysteine
+O=[W]1234O[Co]567O18[Si@]91O%10%11[W]%12%13(=O)(O5)O[W]5%14(=O)(O6)O96[W]9%15(=O)(O5)O[W]%105(=O)(O%12)O[W]%11(=O)(O2)(O%13)O[W]2%10(=O)(O5)O11[W]5(=O)(O3)(O2)O[W]1(=O)(O9)(O%10)O[W]6(=O)(O%14)(O%15)O[W]8(O7)(O4)(O5)[O]	XCO	co-substituted beta-keggin
+C1C[C@@H]([C@H](C1)N)C(=O)O	XCP	(1s,2s)-2-aminocyclopentanecarboxylic acid
+C1[C@@H](C=C[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N	XCR	[(1r,4s,6s)-4-(4-amino-2-oxopyrimidin-1(2h)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate
+Cc1cc(c2c(c1)C(=NC(=O)N2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	XCS	(1r)-1-(4-amino-6-methyl-2-oxo-1,2-dihydroquinazolin-8-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol
+C1C[C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)N2C=CC(=NC2=O)N	XCT	4-amino-1-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)pyrimidin-2(1h)-one
+O=[W]1234O[Cu]56O[W]78(=O)(O1)O2[P@]91=O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O96[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O)(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O2)(O8)O7	XCU	cu-substituted alpha-keggin
+Cc1c(c[nH]c1C(=O)N[C@H](C)c2cc([nH]n2)C#N)C3(CC3)c4ccc(nc4)C(F)(F)F	XCV	n-[(1r)-1-(5-cyano-1h-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1h-pyrrole-2-carboxamide
+CCCCCCCN(CCc1ccc(cc1)OC(C)(C)C(=O)O)c2nc3ccccc3o2	XCX	2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylpropanoic acid
+c1cc(ccc1CN)CNC2=NC(=O)N(C=C2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	XCY	{5-[4-{[4-(aminomethyl)benzyl]amino}-2-oxopyrimidin-1(2h)- yl]-3-hydroxytetrahydrofuran-2-yl}methyl dihydrogen phosphate
+Cc1ccnc(n1)S(=O)(=O)N	XCZ	1.7.6 4-methylpyrimidine-2-sulfonamide
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)N)C(=O)O)C	XD1	(2r,4s)-2-[(1r)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+Cn1c(nnn1)SCC2=C(N[C@H](SC2)[C@@H](C=O)NC(=O)[C@@H](c3ccccc3)O)C(=O)O	XD2	(2r)-2-[(1r)-1-{[(2r)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
+Cc1cc(ccc1N)C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)C	XD4	[(1r,2r,4r)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate
+c1cc(ccc1C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3)N	XD5	[(1r,2s,4s)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate
+c1c(c2c(c(c1O)Cl)CC(=O)CCCC/C(=C/CCOC2=O)/C=O)O	XD6	(5z)-13-chloro-14,16-dihydroxy-1,11-dioxo-3,4,7,8,9,10,11,12-octahydro-1h-2-benzoxacyclotetradecine-6-carbaldehyde
+C\C=C\c1cc2c(s1)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O	XD9	(4r,6r,7s)-4,6,7-trihydroxy-2-[(1e)-prop-1-en-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
+CN(C)C(=O)[C@H]1CCC=C[C@H]1NC(=O)OCc2ccc(cc2)C(=O)NCCOP(=O)(O)O	XDA	4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1r,6s)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate
+c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N	XDD	n-[(1s,2s)-2-aminocyclopentyl]-n-[(6-amino-9h-purin-9-yl)acetyl]glycine
+CNC[C@H](c1ccc(c(c1)O)O)O	XDE	4-[(1s)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
+CC(C)(c1cc(c(c(c1)Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl	XDH	4,4'-propane-2,2-diylbis(2,6-dichlorophenol)
+CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br	XDI	4,4'-propane-2,2-diylbis(2,6-dibromophenol)
+c1nc2c(n1CC(=O)N(CC(=O)O)[C@H]3CCC[C@@H]3N)N=C(NC2=O)N	XDJ	n-[(1s,2s)-2-aminocyclopentyl]-n-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)acetyl]glycine
+c1cc(cnc1)c2ccnc(n2)N	XDK	2-amino-4-pyridyl-pyrimidine
+C1C[C@@H](C(=O)NC1)O	XDL	xylose-derived isofagomine lactam
+CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C	XDM	~{n}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{h}-pyrrole-2-carboxamide
+C1[C@H](C([C@H](CN1)O)O)O	XDN	piperidine-3,4,5-triol
+C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O	XDP	d-xylulose-2,2-diol-1,5-bisphosphate
+CCCCCCOC(=O)[C@]1(C[C@@H]2n3c4ccccc4c5c3c6c(c7ccccc7n6[C@]1(O2)C)c8c5C(=O)N=C8)O	XDR	hexyl (5s,6r,8r)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13h-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate
+CN1C2=NC(=O)NC(=O)[C@@]2(NC1=O)OO	XDS	(5s)-5-(dioxidanyl)-9-methyl-7h-purine-2,6,8-trione
+CC([C@H](C(=O)O)N)OC	XDT	o-methyl-d-allothreonine
+C(COCCOCC(=O)N)N	XDV	2-[2-(2-aminoethoxy)ethoxy]acetamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H](COP(=O)(O)O)C(=O)O)O)O)O)O	XDX	(2r)-2-(alpha-d-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid
+CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)[C@H]2CCC[C@@H]2N	XDY	n-[(1s,2s)-2-aminocyclopentyl]-n-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]glycine
+[Xe]	XE	xenon
+N(P(NP(=O)(O)O)(O)O)P(=O)(O)O	XE1	n,n'-(dihydroxy-lambda~5~-phosphanediyl)bis(phosphoramidic acid)
+C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2C#CC#CC(C)(C)O	XE4	1,3-cyclohexanediol, 4-methylene-5-[(2e)-[(1s,3as,7as)-octahydro-1-(5-hydroxy-5-methyl-1,3-hexadiynyl)-7a-methyl-4h-inden-4-ylidene]ethylidene]-, (1r,3s,5z)
+Cc1c(c[nH]c1C(=O)N[C@H](C)c2cc([nH]n2)C(=O)N)Cc3ccc(nc3)C(F)(F)F	XE7	3-{(1r)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1h-pyrrole-2-carbonyl)amino]ethyl}-1h-pyrazole-5-carboxamide
+C1CON[C@@H]1C#N	XEA	(3r)-1,2-oxazolidine-3-carbonitrile
+CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N	XEB	7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
+CC1COc2c3c(cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O	XED	dextrofloxacine
+c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O	XEG	(2r,3s)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate
+C[C@H](CC(=O)N)N	XEJ	(3r)-3-aminobutanamide
+CCCCN1CCCC(=C1)C(=O)N	XEN	1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide
+c1cc(ccc1c2[nH]nnn2)C(=O)[C@@H]3CCC[C@H]3C(C(=O)O)C(=O)O	XES	{(1r,2r)-2-[4-(1h-tetrazol-5-yl)benzene-1-carbonyl]cyclopentyl}propanedioic acid
+COc1cccc(c1)c2cccc(c2)C(=O)O	XEV	3-(3-methoxyphenyl)benzoic acid
+c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)Cl)c4cccnc4	XEY	2-[3-(3,5-dichlorophenyl)-2-oxo[2h-[1,3'-bipyridine]]-5-yl]benzonitrile
+c1c[nH]nc1c2cnc3n2cc(nc3)c4c[nH]nc4	XEZ	6-(1h-pyrazol-3-yl)-3-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine
+CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N	XF1	2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2h-[1,3'-bipyridine]]-5-yl]benzonitrile
+c1ccc(cc1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	XF4	(5s)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2h-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3h,5h)-dione
+c1cc2c(cc[nH]2)c(c1)N3CCNCC3	XF5	4-(piperazin-1-yl)-1h-indole
+c1ccc(c(c1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)Cl	XF7	(5s)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2h-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3h,5h)-dione
+CNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c3cc(ccc3Oc4ccc(cc4)Cl)Cl	XFA	2-{[5-chloro-2-(4-chlorophenoxy)phenyl](2-{[2-(methylamino)ethyl]amino}-2-oxoethyl)amino}-n-(1,3-dihydro-2h-isoindol-2-yl)-n-methylacetamide
+C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C=O	XFC	4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde
+c1ccc(c(c1)C#N)C2=CN(C(=O)C(=C2)c3cc(cc(c3)Cl)OCC4CC4)c5cccnc5	XFD	2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2h-[1,3'-bipyridine]]-5-yl}benzonitrile
+Cc1c[nH]c2c1c(ncn2)[N@]3CC[C@H](C3)N	XFE	(3r)-1-(5-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
+[B-](CCC[C@@H]1[C@H](CN[C@@H]1C(=O)O)N)(O)(O)O	XFG	3-[(2~{s},3~{r},4~{r})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
+Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C	XFH	6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine
+C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)N(c4ccccc4)S(=O)(=O)C)O	XFI	n-((1s,2r)-3-(((1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-( phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino) benzamide
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C	XFJ	6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C	XFK	6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(cc(n3)N)C	XFL	6,6'-(pyridine-2,6-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)
+Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C	XFM	6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine
+Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C	XFN	6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine)
+[B-](CCC[C@@H]1CCCN[C@@H]1C(=O)O)(O)(O)O	XFP	3-[(2~{s},3~{r})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)O)CC(=O)O	XFS	3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid
+C1CS(=O)(=O)C1	XFV	1lambda~6~-thietane-1,1-dione
+C(CC(N)N)[C@@H](C(=O)O)N	XFW	(2s)-2,5,5-tris(azanyl)pentanoic acid
+CCCCn1cc2c3ccccc3nc(c2n1)N	XG1	2-butyl-2h-pyrazolo[3,4-c]quinolin-4-amine
+c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N	XG4	2'-deoxy-5'-o-[(r)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine
+c1c2c(cc3c1ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)N=C(NC2=O)N	XGA	6-amino-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
+CN(C)C(=O)c1cccc(c1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3)CCNC(=O)c4ccccc4n5nccn5)OC	XGD	4'-methoxy-n,n-dimethyl-3'-{[3-(2-{[2-(2h-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide
+CC(C)(CNC(=O)C[C@H]1CN(c2ccc(cc2S1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(cc3)F)O	XGH	2-[(2s)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2h-1,4-benzothiazin-2-yl]-n-(2-hydroxy-2-methylpropyl)acetamide
+C1N[C@H](NN1)N	XGJ	(3s)-1,2,4-triazolidin-3-amine
+c1nc2c(n1[C@@H]3C[C@H]([C@@H](C=C3)COP(=O)(O)O)O)N=C(NC2=O)N	XGL	[(1s,4r,6r)-6-hydroxy-4-(guanin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+CCC(=O)NO	XGM	n-hydroxypropanamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O	XGP	1-o-phosphono-beta-d-glucopyranose
+c1nc2c(n1[C@H]3C[C@@H]([C@H](C=C3)COP(=O)(O)O)O)N=C(NC2=O)N	XGR	[(1r,4s,6s)-4-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate
+C1CS(=O)(=O)N1	XGS	1lambda~6~,2-thiazetidine-1,1-dione
+c1nc2c(n1[C@H]3CC[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N	XGU	2-amino-9-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-1,9-dihydro-6h-purin-6-one
+c1cc(nnc1)N	XGV	pyridazin-3-amine
+CN1C[C@H](NC1)N	XGY	(4s)-1-methylimidazolidin-4-amine
+CC(C)NC(=O)N	XH1	n-propan-2-ylurea
+C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)CCO)O)O	XH2	(1r,4r,5r)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid
+C1CNN[C@@H]1CO	XH4	[(3r)-pyrazolidin-3-yl]methanol
+C1CSC[C@H]1C(=O)O	XH7	(3r)-thiolane-3-carboxylic acid
+c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N	XH8	7-(((3-(pyridin-3-yl)propyl)amino)methyl)quinolin-2-
+CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2cccc(c2)C(F)(F)F)CO)O)O	XHA	2-[(2~{r},3~{s},4~{r},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{n}-methyl-ethanamide
+C(C#N)C(=O)N	XHD	2-cyanoacetamide
+C1C[C@@H](OC1)CN	XHG	1-[(2r)-oxolan-2-yl]methanamine
+C1CNN[C@@H]1N	XHJ	(3s)-pyrazolidin-3-amine
+Cc1cccc(c1c2cc3c(cc2C#N)cnn3c4ccc(cc4)N5CCN(CC5)C)F	XHM	6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1h-indazole-5-carbonitrile
+C=C1CN=C2C(=N1)C(=O)NC(=N2)N	XHP	2-amino-6-methylidene-6,7-dihydropteridin-4(3h)-one
+CN1CCN(CC1)c2cccc(n2)n3c4cc(ncc4cn3)c5c(cccc5F)OC	XHS	6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1h-pyrazolo[4,3-c]pyridine
+CN1CCN(CC1)c2ccc(cc2)n3c4cc(ncc4cn3)c5c(cccc5F)OC	XHV	6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrazolo[4,3-c]pyridine
+Cc1ccc2c(c1)c(c(o2)C#Cc3ccc(cc3)C(=O)O)CC(=O)O	XHY	4-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid
+c1cc(c(cc1OC2CCC(CC2)NS(=O)(=O)C(F)(F)F)Cl)C#N	XI1	n-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide
+C[C@H](CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F	XI2	6-(2,4-difluorophenoxy)-n-[(1r)-1-methyl-2-(methylsulfonyl)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-3-amine
+c1ccc(cc1)C(=O)CC(=O)C(=O)O	XI7	2-4-dioxo-4-phenylbutanoic acid
+CC(=CCC[C@@]1([C@H](Cc2cc(ccc2O1)C(=O)O)O)C)C	XIA	(2r,3s)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid
+C1CNC[C@H]([C@@H]1O)O	XIF	piperidine-3,4-diol
+COc1ccc(cc1)c2ccc(cc2)CN([C@H]3CCCc4c3cccc4)C(=O)c5cc(c(cc5C(=O)O)C(=O)O)C(=O)O	XIG	5-{[(4'-methoxybiphenyl-4-yl)methyl][(1s)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
+CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C	XIH	2-({8-[(3r)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl}methyl)benzonitrile
+C1CNC(=O)[C@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O	XIL	(3s,4r)-3-hydroxy-2-oxopiperidin-4-yl beta-d-xylopyranoside
+c1cn2c(n1)[C@@H]([C@H]([C@@H](C2)O)O)O	XIM	5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine-6,7,8-triol
+CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5	XIN	methyl (3z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1h-indole-6-carboxylate
+c1ccc(cc1)P(c2ccccc2)c3ccc(cc3)C(=O)O	XIS	4-diphenylphosphanylbenzoic acid
+c1([nH]nc(n1)N)N	XIX	3,5-diamino-1h-[1,2,4]triazole
+c1ccc2c(c1)[nH]c(n2)CO	XIY	2-hydroxymethyl-benzoimidazole
+c1cnccc1\C=C\C(=O)O	XIZ	(e)-pyridin-4-yl-acrylic acid
+c1c(cnc(n1)N)\C=C\C(=O)O	XJ0	(e)-3-(2-amino-pyridine-5yl)-acrylic acid
+c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)\C=C\C(=O)O	XJ1	(2e)-3-(3-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}phenyl)prop-2-enoic acid
+CNC[C@H](CN1CCCc2ccccc2C1)O	XJ2	(2r)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol
+Cc1c(nc(nc1NC2CCOCC2)c3cccc(c3)CNCCNC)c4c(noc4C)C	XJ3	n'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-n-methyl-ethane-1,2-diamine
+Cc1c(nc(nc1Nc2ccccc2)c3cccc(c3)CNCCNC)c4c(noc4C)C	XJ4	n'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-n-methyl-ethane-1,2-diamine
+CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O	XJ7	(2s)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1r,2r,3s,4s,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate
+c1ccc(cc1)C[C@@H](C(=O)NCc2cccc3c2ccc(n3)N)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O	XJ8	n-[(1s)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1h-quinoline-6-carboxamide
+CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC)COP(=O)(O)OC1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O	XJA	(2s)-1-(butanoyloxy)-3-{[(r)-hydroxy{[(1s,2r,3r,4r,5r,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate
+CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)OCCN	XJD	(10r,13s)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl tridecanoate
+Cc1cc2c(c(c1)OC)C(=CC(=O)O2)CP(=O)(O)O	XJE	[(5-methoxy-7-methyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+CC(C)c1cc(c(cc1OC)O)C(=O)N2Cc3ccccc3C2	XJG	1,3-dihydroisoindol-2-yl-(2-hydroxy-4-methoxy-5-propan-2-yl-phenyl)methanone
+c1ccc(cc1)Oc2cccc(c2)O[C@H]3CNC[C@H]3Cc4cccc(n4)N	XJH	6-{[(3r,4r)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
+C1CNC(=O)CN1	XJJ	piperazin-2-one
+Cc1[nH]nnn1	XJM	5-methyl-1h-tetrazole
+CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)c2ccccc2CN(C)C)C)C)C	XJO	(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate
+C1[C@@H](N[C@@H](S1)N)N	XJP	(2s,4r)-1,3-thiazolidine-2,4-diamine
+CCN(CC)C(=O)CCC(=O)NCCCN(CCCNC(=O)CCC(=O)N(CC)CC)C(=O)CCC(=O)NCC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O	XJS	2'-deoxy-5-[9-(3-{[4-(diethylamino)-4-oxobutanoyl]amino}propyl)-18-ethyl-5,8,14,17-tetraoxo-4,9,13,18-tetraazaicos-1-yn-1-yl]uridine 5'-(tetrahydrogen triphosphate)
+C1CNC(=O)N1	XJV	imidazolidin-2-one
+CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(CC4)C	XJX	onalespib
+B(C1CCC1)(O)O	XJY	cyclobutylboronic acid
+C[C@]1(CCSC(=N1)N)c2ccc(cc2)OC	XK0	(4s)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
+C1[C@H](NCO1)CN	XK1	1-[(4r)-1,3-oxazolidin-4-yl]methanamine
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc4ccccc4c3)Cc5ccc6ccccc6c5)Cc7ccccc7)O)O	XK2	[4r-(4alpha,5alpha,6beta,7beta)]-hexahydro-5,6-dihydroxy-1,3-bis[2-naphthyl-methyl]-4,7-bis(phenylmethyl)-2h-1,3-diazepin-2-one
+CCc1ccsc1c2cnc(c(n2)C3CCC(CC3)C(=O)O)N	XK3	4-[3-amino-6-(3-ethylthiophen-2-yl)pyrazin-2-yl]cyclohexane-1-carboxylic acid
+C1CON[C@H]1N	XK4	(3r)-1,2-oxazolidin-3-amine
+C1CC1(C(=O)N)N	XK7	1-aminocyclopropane-1-carboxamide
+C/C(=N\NC(=N)NO)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-]	XK9	n-{4-[(1e)-n-(n-hydroxycarbamimidoyl)ethanehydrazonoyl]phenyl}-7-nitro-1h-indole-2-carboxamide
+Cc1c(sc(n1)c2cnccn2)C(=O)c3cnc(s3)N[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	XKA	[2-[[(2~{s},3~{s},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone
+C[C@H](C(=O)NC)N	XKD	n-methyl-d-alaninamide
+Cc1cc(c(c(c1)C)/N=C/2\C=C3c4cc(c(cc4CCN3C(=O)N2C)OC)OC)C	XKG	(2e)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4h-pyrimido[6,1-a]isoquinolin-4-one
+CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	XKJ	dodecyl beta-d-glucopyranoside
+CCNC(=O)c1cc(on1)c2c(cc(cc2Oc3ccc(cc3)[N+](=O)[O-])O)O	XKL	5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-n-ethyl-1,2-oxazole-3-carboxamide
+CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)OCCN	XKP	(11r,14s)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate
+C1C(CN1)O	XKS	azetidin-3-ol
+CC[C@@H](C(=O)N)N	XKV	(2r)-2-aminobutanamide
+C1[C@H](NCN1)C#N	XKY	(4s)-imidazolidine-4-carbonitrile
+CCS	XL1	ethanethiol
+C[C@H](c1ccc(cc1)Nc2nc3c(cc(cc3s2)F)C(=O)N)N(C)C	XL2	2-({4-[(1r)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide
+CCCS	XL3	propane-1-thiol
+CCC(=O)Nc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)F	XL5	n-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide
+CCC(=O)Nc1cccc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)C	XL6	n-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide
+CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)F	XL7	n-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide
+CCC(=O)Nc1cc(cc(c1Nc2ncc(cn2)OCc3c(c(cc(c3Cl)OC)OC)Cl)Cl)Cl	XL8	n-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide
+CCC(=O)N[C@H]1CCOC[C@H]1Nc2ncc3cc(ccc3n2)c4c(c(cc(c4Cl)OC)OC)Cl	XL9	n-[(3s,4s)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide
+B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)C(=O)O)(O)O	XLB	3-[(e)-2-(4-borono-2-chlorophenyl)ethenyl]benzoic acid
+CN1CCN(CC1)Cc2csc(c2Cl)C(=O)Nc3ccc(cc3C(=O)Nc4ccc(cc4)Cl)Cl	XLC	3-chloro-n-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide
+CN(Cc1csc(c1Cl)C(=O)Nc2c(cc(cc2OC)Cl)C(=O)Nc3ccc(cn3)Cl)C4=NCCO4	XLD	3-chloro-n-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide
+C1[C@H]([C@@H]([C@](O1)(CO)O)O)O	XLF	beta-d-xylulofuranose
+CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)C)O	XLI	n-acetyl-l-leucyl-n-[(4s,5s,7r)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-l-methioninamide
+CCC/C=C\S(=O)(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)O)O	XLN	n~3~-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-n-(3-{[(1z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide
+c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2Cl)O	XLO	3-[(e)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoic acid
+c1cc2c(cc1C(=O)O)scn2	XLP	1,3-benzothiazole-6-carboxylic acid
+C([C@H]([C@@H]([C@H](C=O)O)O)O)O	XLS	d-xylose
+Cc1c(noc1N)C	XLV	3,4-dimethyl-1,2-oxazol-5-amine
+C(CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O	XLX	4,4'-(ethylenediimino)bis[4-oxobutyrate]
+C[C@H]1CNc2ccccc2C(=O)N1	XLY	(3r)-3-methyl-1,2,3,4-tetrahydro-5h-1,4-benzodiazepin-5-one
+c1ccc2c(c1)CC(C2)N	XM0	indan-2-amine
+c1cc(ccc1C[C@@H](CN)C(=O)N2CCN(CC2)c3c4cc[nH]c4ncn3)Cl	XM1	(2s)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine
+C[C@H]([C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C	XM2	n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-l-phenylalaninamide
+Cc1cc(ccc1NC(=O)C)Cl	XM4	n-(4-chloro-2-methylphenyl)acetamide
+CN1c2c(ccc3c2OCO3)C(=CC1=O)OC	XM5	6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9h)-one
+COP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	XM7	5'-o-[(r)-hydroxy(methoxy)phosphoryl]adenosine
+COC[C@@]12C[N@@](CC(=O)N1CC3(O2)CCN(CC3)c4ccncc4)S(=O)(=O)c5ccc6cc(ccc6c5)Cl	XMA	(-)-7-[(6-chloro-2-naphthalenyl)sulfonyl]tetrahydro-8a-(methoxymethyl)-1'-(4-pyridinyl)-spiro[5h-oxazolo[3,2-a]pyrazine-2(3h),4'-piperidin]-5-one
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC[C@@H](C(=O)N3CCS(=O)(=O)CC3)NCC4CCN(CC4)c5ccncc5	XMB	4-[(2r)-3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-1-oxo-2-[[[1-(4-pyridinyl)-4-piperidinyl]methyl]amino]propyl]-thiomorpholine-1,1-dioxide
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3C[C@@H](N(C(=O)C3)CC4CCN(CC4)c5ccncc5)C(=O)N6CCOCC6	XMC	4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinyl]carbonyl]morpholine
+CCOC(=O)[C@H]1C[N@](CC(=O)N1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl	XMD	(2r)-4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)C=NO	XME	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-hydroxyiminomethyl-1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@@]3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)CO	XMF	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-hydroxymethyl-1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@@]3CC[N@]([C@@H](C3)C(=O)O)CC4CCN(CC4)c5ccncc5	XMG	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl] methyl]-2-piperazinecarboxylic acid
+CCOC(=O)[C@H]1C[N@](CC[N@@]1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl	XMH	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3CCN(C(=O)C3)CC4CCN(CC4)c5ccncc5	XMI	4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
+c1cc(ccc1\C=C\S(=O)(=O)[N@]2CCN(C(=O)C2)CC3CCN(CC3)c4ccncc4)Cl	XMJ	4-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
+c1cc(ccc1\C=C\S(=O)(=O)N2CCN(CC2)CC3CCN(CC3)c4ccncc4)Cl	XMK	1-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-4-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazine
+c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br	XMM	5-bromo-4-chloro-1h-indol-3-yl alpha-d-mannopyranoside
+c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O	XMP	xanthosine-5'-monophosphate
+Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN(CC3)C)Cl	XMQ	2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-n-(1,3,5-trimethyl-1h-pyrazol-4-yl)benzenesulfonamide
+Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(cc3)Cl	XMS	(3s)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid
+C[C@H](c1ccccc1)[C@H](C[C@@H](C[N@@]2CC[N@](C[C@H]2C(=O)NC(C)(C)C)Cc3cccnc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O	XN1	n-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(3-pyridylmethyl)piperazino]-4-hydroxy-2-(1-phenylethyl)-pen tanamide
+C[C@H](c1ccccc1)[C@H](C[C@@H](C[N@@]2CC[N@](C[C@H]2C(=O)NC(C)(C)C)Cc3ccc4c(c3)OCO4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O	XN2	n-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4-hydroxy-2-(1-phe nylethyl)-pentanamide
+CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5ccc6c(c5)OCO6	XN3	n-[2(r)-hydroxy-1(s)-indanyl]-5-[(2(s)-tertiary butylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethylpentanamide
+C(CO)NCC(=O)NCCO	XN7	n,n~2~-bis(2-hydroxyethyl)glycinamide
+Cc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5	XNA	n~8~-(cyclopropylmethyl)-n~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine
+CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5	XNB	n~8~-(cyclopropylmethyl)-n~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine
+Cc1cccc(n1)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCc6ccccc6)S(=O)(=O)CC(C4)(C)C)O	XNC	(11s)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide
+CC(=O)N1c2cccc(c2NC3=C([C@@H]1c4ccc(cc4Cl)Cl)C(=O)CC(C3)(C)C)O	XND	(11r)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
+CCCCCCCCCC(=O)NCCCC(=O)O	XNG	4-(decanoylamino)butanoic acid
+C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)OC)C	XNH	(3~{r})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one
+CC(=O)N1c2ccccc2NC3=C([C@@H]1c4ccc(c(c4)Cl)OCc5ccccc5)C(=O)CC(C3)(C)C	XNI	(11s)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
+Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCNCC5	XNJ	n-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide
+c1ccc2c(c1)c3ccncc3n2C[C@@H](C4CCCCC4)O	XNL	(1~{r})-1-cyclohexyl-2-pyrido[3,4-b]indol-9-yl-ethanol
+c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)C(=O)N4CCN(CC4)CCO)Cl	XNM	(4-{[4-(4-chlorophenyl)pyrimidin-2-yl]amino}phenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone
+CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CC6(C5)CNC6	XNN	n~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-n~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@@H](O4)N6C=C(CC[C@H]6O5)C(=O)N)O)O)OP(=O)(O)O)N	XNP	tricyclic nadph
+COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	XNS	methyl ester octyl alpha-1o-d-mannopyrannoside
+CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC#C)N2C=CC=C(C2=O)NC(=O)c3cc(on3)C	XNV	ethyl (4r)-4-({(2s)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2h)-yl]pent-4-ynoyl}amino)-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
+COc1ccc(cc1)C[C@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O	XNW	(1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid
+c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N	XNY	[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-3~{h}-imidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
+CC(=O)N1c2cccc(c2NC3=C([C@@H]1c4ccc(cc4Cl)OCc5ccccc5)C(=O)CC(C3)(C)C)O	XNZ	(11r)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1h-dibenzo[b,e][1,4]diazepin-1-one
+c1ccc(cc1)C[C@H]2C[C@H](CCN2)C3=CC(=O)NO3	XO3	5-[(2r,4s)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one
+c1ccc2c(c1)N(c3ccccc3S2)NC(=O)CN4CCCCC4	XOC	n-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide
+c1cnc(nc1)c2ccc(c(c2)[N+](=O)[O-])NCCCCCCN[C@H]3C[C@@]([C@H]([C@@H]([C@H]3O)O)O)(CO)O	XOD	(1s,2s,3r,4s,5s)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol
+C/C(=C\C=O)/CC/C=C(\C)/C=O	XOG	(2e,6e)-2,6-dimethylocta-2,6-dienedial
+CCN(CC)CCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC	XOJ	1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea
+CC[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N)S	XOK	(2~{s})-2-azanyl-6-[[(6~{s})-6-sulfanyloctanoyl]amino]hexanoic acid
+Cc1ccc(cc1Cl)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4	XOM	(2s,4r)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one
+CN1[C@@H]2CC[C@H]1CC(C2)O[P@@](=O)(c3ccccc3)O	XOP	8-methyl-8-azabicyclo[3.2.1]octan-3-yl phenylphosphonate
+c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2)O	XOS	3-[(e)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CSCc4ccccc4)C(=O)O	XOU	(2r)-3-(benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid 
+c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)C3CC4(C3)COC(=O)N4	XOV	(2s,4r)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one
+Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	XOY	(r)-3-(benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
+c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4	XP0	5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine
+CN(C)c1ccc(cc1)C(=O)O	XP1	4-(dimethylamino)benzoic acid
+CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCC	XP4	1,2-dimyristoyl-sn-glycero-3-phosphate
+CCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC	XP5	(4s,7r)-7-(heptanoyloxy)-4-hydroxy-n,n,n-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide
+c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)CC[C@@H]3CCC(=O)N3	XP7	(5s)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCS)OP(=O)(O)O	XP8	o-phosphono-n-(8-sulfanyloctanoyl)-l-threonine
+C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCCS)OP(=O)(O)O	XP9	o-phosphono-n-(9-sulfanylnonanoyl)-l-threonine
+CCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCC	XPA	1,2-didecanoyl-sn-glycero-3-phosphate
+c1cc(cnc1)C(=O)CCCOc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	XPB	o6-[4-oxo-4-(3-pyridyl)butyl]-2'-deoxyguanosine-5'-monophosphate
+C1[C@@H]([C@H](CN1)N)C(=O)O	XPC	(3s,4r)-4-aminopyrrolidine-3-carboxylic acid
+c1cc2c(cc1C(=O)N3CCC(CC3)COc4ccc(cc4Cl)F)NC(=O)CO2	XPD	6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2h-1,4-benzoxazin-3(4h)-one
+C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O	XPE	3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol
+CC(C)S(=O)(=O)N[C@H]1COC[C@H]1Oc2ccc(cc2)c3ccc(s3)C#N	XPF	n-{(3s,4s)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide
+CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O	XPG	7-[(1r,3r)-3-hydroxy-2-[(1e,3s)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid
+c1ccc(cc1)C[C@@H](N)P(=O)(O)O	XPH	[(1s)-1-amino-2-phenylethyl]phosphonic acid
+CNC[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O	XPJ	1-deoxy-1-(methylamino)-d-allitol
+C[C@@H]1C[C@@H](N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N)N	XPL	n~6~-[(3r,5r)-5-amino-3-methyl-d-prolyl]-l-lysine
+CCCCCCCCCCCCCCC(C(=O)O)C(=O)O	XPM	tetradecylpropanedioic acid
+C(=O)OP(=O)(O)O	XPO	formyl phosphate
+Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(C)C)C	XPP	hydroxypyrrole-imidazole-pyrrole polyamide
+C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)OS(=O)(=O)O	XPR	(2s,3as,6r,7as)-6-(sulfooxy)octahydro-1h-indole-2-carboxylic acid
+CNC[C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O	XPS	6-deoxy-6-(methylamino)-d-galactitol
+CCCS(CCC)(CCC)Cl	XPT	1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane
+c1ccc(cc1)c2ccc3c(c2)occ3CC(=O)O	XPV	(6-phenyl-1-benzofuran-3-yl)acetic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC	XPX	(2r)-3-[(hydroxy{[(2r,3r,5s,6r)-3,4,5-trihydroxy-2,6-bis(alpha-d-mannopyranosyloxy)cyclohexyl]oxy}phosphoryl)oxy]propan e-1,2-diyl dihexadecanoate
+Cn1cc(c(n1)C(F)(F)F)NC(=O)c2cnn3c2nc(cc3)N[C@@H]4CCCC[C@@H]4N	XPY	5-{[(1r,2s)-2-aminocyclohexyl]amino}-n-[1-methyl-3-(trifluoromethyl)-1h-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
+Cc1c2ccc(cc2[nH]n1)O	XQ0	3-methyl-1h-indazol-6-ol
+COc1cccc(c1)c2ccc3c(c2)occ3CC(=O)O	XQ1	[6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
+C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCNC)C)\C)OC)(NC(=O)O2)O	XQ4	(1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2s)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name)
+c1cc(cc(c1)OCC2CCC(CC2)(F)F)[C@@H](CCN)O	XQ7	(1r)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol
+CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3	XQ9	1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC(=O)C	XQA	udp-di-n-acetyl-alpha-bacillosamine
+[H]/N=C(/[C@H](C[C@@H](C=O)O)C(=O)O)\C(=O)O	XQB	2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid
+CC(C)(Cc1ccc(cc1)O)NC[C@@H](c2ccc(c(c2)O)O)O	XQC	4-[(1r)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N[C@@](C)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O	XQD	[(2~{r},3~{r},4~{s},5~{s},6~{r})-3-acetamido-5-[[(1~{s})-1-[2-[3-[[(2~{r})-4-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanyl-ethyl]amino]-6-methyl-4-oxidanyl-oxan-2-yl] [[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
+CSc1c2c([nH]cn2)ncn1	XQG	6-methylsulfanyl-9h-purine
+COC(=O)Cc1cc(cc(c1)O)O	XQI	methyl 2-(3,5-dihydroxyphenyl)ethanoate
+Cc1cccc(c1)I	XQJ	1-iodo-3-methylbenzene
+Cc1c(c([nH]n1)c2ccno2)C(=O)OC	XQK	methyl 5-isoxazol-5-yl-3-methyl-1h-pyrazole-4-carboxylate
+Cc1ccc(cc1)I	XQM	1-iodo-4-methylbenzene
+CCCCCN1[C@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC	XQO	2-[(2s,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide
+Cn1c(nnn1)SCC2=C(N[C@H](OC2)[C@@](C(=O)O)(NC(=O)[C@@H](c3ccc(cc3)O)C(=O)O)OC)C(=O)O	XQP	(2r)-2-[(r)-carboxy{[(2r)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2h-1,3-oxazine-4-carboxylic acid
+CCC(=O)Nc1cccc(c1)Nc2nc3c(cccn3n2)c4ccccc4	XQV	n-{3-[(8-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl}propanamide
+CCN1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C=C(C1=O)c5ccc(cc5Cl)c6cncs6	XR1	6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8h)-one
+Cc1cccc2c1[nH+]c3c(cccc3n2)C(=O)NCC[NH2+]CC[NH2+]CCNC(=O)c4cccc5c4[nH+]c6c(cccc6n5)C	XR2	1-methyl-9-[12-(9-methylphenazin-10-ium-1-yl)-12-oxo-2,11-diaza-5,8-diazoniadodec-1-anoyl]phenazin-10-ium
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)CCOCCOCCOCCOCCOCCC(=O)N5CCC(CC5)NC(=O)c6ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(=O)C(C)(C)C)Cl)C	XR4	n,n'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide)
+CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cccc3)C)OCCOCCOCCOCCOc4ccc(cc4C5=CN(C(=O)c6c5cccc6)C)NS(=O)(=O)CC	XR7	n,n'-(oxybis{(ethane-2,1-diyl)oxyethane-2,1-diyloxy[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-4,1-phenylene]})di(ethane-1-sulfonamide)
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN4CCCC4)NC5CNC5	XR8	5-[(azetidin-3-yl)amino]-2-methyl-n-[(1r)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide
+COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4	XRA	2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
+CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl	XRD	clobetasol propionate
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O	XRF	1-{2-deoxy-5-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-l-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1h,3h)-dione
+[H]/N=C(\NC)/NC(=O)NC	XRG	1-methyl-3-(n-methylcarbamimidoyl)urea
+CCCCCN1[C@H]([C@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC	XRJ	2-[(2s,3r,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide
+c1c(cc(c2c1N=C(NC2=O)CSC3CCNCC3)F)NC4CCCC4	XRM	7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl)sulfanyl]methyl}quinazolin-4(3h)-one
+c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)CC#N	XRO	5-{2-[4-(cyanomethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+Cc1ccc(cc1)CSc2ncn(n2)c3ccccc3	XRP	3-{[(4-methylphenyl)methyl]sulfanyl}-1-phenyl-1h-1,2,4-triazole
+C[C@H](CCOc1nccn1C)N(C)C	XRS	(2r)-n,n-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine
+c1cc(ccc1n2cc(cn2)Cc3cc(nc4c3[nH]nn4)N)F	XRV	7-{[1-(4-fluorophenyl)-1h-pyrazol-4-yl]methyl}-1h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+C[C@H](CCOC(=O)N(C)C)N(C)C	XRX	3-(dimethylamino)butyl dimethylcarbamate
+c1ccc(cc1)C[C@H]2C[C@H]3C[C@H]2Oc4cccc(c4)Cn5cc(cn5)[C@H](CCN3)c6cc(nc7c6nn[nH]7)N	XS1	7-[(3r,4s,6s,10r)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)S[C@H]2[C@@H]([C@H]([C@@H](CO2)S[C@H]3[C@@H]([C@H]([C@@H](CO3)S[C@@H]4[C@H]([C@H]([C@H](CO4)S[C@H]5[C@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)O)O)O)O)O	XS2	methyl4,4ii,4iii,4iv-tetrathio-beta-d-xylopentoside
+CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)NCc3cn(nn3)C4CCN(CC4)Cc5ccccc5)c6cc(cc(c6)OC)OC	XS4	1-~{tert}-butyl-3-[6-(3,5-dimethoxyphenyl)-2-[[1-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]urea
+C(CCC(=O)NO)CCNCCCN	XS6	6-[(3-aminopropyl)amino]-n-hydroxyhexanamide
+B(CC[C@H](C(=O)O)NCCN)(O)O	XSA	(2r)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid
+c1ccc(cc1)Oc2cccc(c2)Cn3cc(cn3)Cc4cc(nc5c4nn[nH]5)N	XSD	7-({1-[(3-phenoxyphenyl)methyl]-1h-pyrazol-4-yl}methyl)-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+c1ccc(cc1)[C@@H](CCN[C@@H]2CCc3c2cccc3)c4cc(nc5c4nn[nH]5)N	XSG	7-[(1r)-3-{[(1r)-2,3-dihydro-1h-inden-1-yl]amino}-1-phenylpropyl]-3h-[1,2,3]triazolo[4,5-b]pyridin-5-amine
+B(CC[C@H](C(=O)O)NCc1c[nH]cn1)(O)O	XSM	(2r)-4-borono-2-{[(1h-imidazol-4-yl)methyl]amino}butanoic acid
+C([C@@H](C(=O)N)N)C(=O)O	XSN	l-alpha-asparagine
+C(=O)[C@H](C(=O)O)OP(=O)(O)O	XSP	(2r)-3-oxo-2-(phosphonooxy)propanoic acid
+CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C(F)(F)F	XSS	1,1,1-trifluoro-2-methylpropan-2-yl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC7(CCC7)C(F)(F)F	XSV	1-(trifluoromethyl)cyclobutyl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC7C[C@H]8C[C@H]8C7	XSY	(1r,3r,5s)-bicyclo[3.1.0]hexan-3-yl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4	XT0	2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
+C[C@@H]1CC[C@]2([C@@H](CCCO2)C)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O	XT1	(2r)-3-[(2s,5r,6r,8s)-8-{(1r,2e)-3-[(2r,4a'r,5r,6's,8'r,8a's)-6'-{(1s,3s)-3-[(2s,3r,6r,11r)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3h,3'h-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid
+C[C@H]1CCCO[C@@]12CCC[C@H](O2)[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O	XT2	(2r)-2-hydroxy-3-[(2s,5r,6r,8s)-5-hydroxy-8-{(1r,2e)-3-[(2r,4a'r,5r,6's,8'r,8a's)-8'-hydroxy-6'-{(1s,3s)-1-hydroxy-3-[( 2s,6r,11s)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3h,3'h-spiro[furan-2,2'-pyrano[3,2-b]p yran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid
+c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCCC4	XT3	2-[4-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
+CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C	XT4	tert-butyl [(2r,6s,12z,13as,14ar,16as)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
+Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)C4CC4	XT5	5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@H]4CC[C@H](C4)O)NC5CNC5	XT7	5-[(azetidin-3-yl)amino]-n-[(1r)-1-{3-[5-({[(1s,3r)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide
+CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccsc2)C(=O)O)C(=O)O)C	XT8	(2r,4s)-2-[(1r)-1-{[(2r)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CN1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)CN5CCC(CC5)CC(=O)O	XTA	(1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid
+CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4ccc(c(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)[N+](=O)[O-]	XTC	(4s,4as,5ar,12as)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
+c1cc(ccc1C(=O)c2c(csc2N)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cl	XTD	{2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl}(4-chlorophenyl)methanone
+CC1=CN(C(=O)NC1=O)[C@@H]2C=C[C@@H]([C@H]([C@H]2F)O)COP(=O)(O)O	XTF	[(1r,4r,5s,6r)-5-fluoro-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O	XTG	4-nitrophenyl 6-thio-6-s-alpha-d-xylopyranosyl-beta-d-glucopyranoside
+CC1=CN(C(=O)NC1=O)[C@H]2CC[C@@H]([C@H](O2)COP(=O)(O)O)O	XTH	1-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione
+c1cc(cc(c1)F)COC(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO	XTJ	(3-fluorophenyl)methyl [(2s)-3-cyclopropyl-1-oxo-1-({(2s)-1-oxo-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate
+Cc1ccc(c2c1[nH]c(c2)C#N)OC[C@H](CNC(C)(C)C)O	XTK	4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1h-indole-2-carbonitrile
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](C=C2)COP(=O)(O)O)O	XTL	[(1s,4r,6r)-6-hydroxy-4-(thymin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+C1=NC2=C(C(=O)N=C(N2)N)NC1=O	XTN	2-amino-1,5-dihydropteridine-4,6-dione
+c1ccc(cc1)COC(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO	XTP	benzyl [(2s)-3-cyclopropyl-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](C=C2)COP(=O)(O)O)O	XTR	[(1r,4s,6s)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
+c1nc2c(n1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O	XTS	9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-purine-2,6-dione
+c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4	XTV	2-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
+c1ccc(c(c1)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4)Cl	XTW	2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol
+Cc1cc(c2c(c1)C(=O)NC(=O)N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O	XTY	(1r)-1,4-anhydro-2-deoxy-1-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-8-yl)-5-o-phosphono-d-erythro-pentitol
+c1cc(ccc1NCC2=NC3=C(NC2)N=C(NC3=O)N)S(=O)(=O)Nc4nccs4	XTZ	4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-n-(1,3-thiazol-2-yl)benzenesulfonamide
+c1ccc2c(c1)-c3cccnc3NC2=O	XU1	benzo[c][1,8]naphthyridin-6(5h)-one
+c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3-c5ccccc5C(=O)N4	XU2	n-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(s4)Cl)S(=O)(=O)c5ccccc5Cl	XU3	(2s,4r)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+C[C@@H](c1ccccc1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO	XU4	n-{(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}-n~2~-{[(1s)-1-phenylethoxy]carbonyl}-l-leucinamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)C)S(=O)(=O)c5ccccc5Cl	XU5	(2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
+B(CCC(C(=O)O)N)(O)O	XU7	(2s)-2-amino-4-boronobutanoic acid
+C[Se][C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COP(=O)(O)O)O	XUA	2'-se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate)
+C[Se][C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O	XUG	2'-se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate)
+B(CC[C@H](C(=O)O)N)(O)O	XUJ	(2r)-2-amino-4-boronobutanoic acid
+C([C@H]([C@@H](C(=O)CO)O)O)O	XUL	d-xylulose
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)OCO3)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)OCC	XUM	diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc3c(c2)scn3)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)OCC	XUP	diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N	XUS	diethyl [(4-{(2s,3r)-4-{[(4-aminophenyl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	XUV	diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2s)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate
+c1ccc(c(c1)Cc2ccc3cccnc3c2O)F	XV1	7-(2-fluorobenzyl)quinolin-8-ol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)c2cc3c([nH]2)cccc3OC	XV4	n-[(2s)-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1h-indole-2-carboxamide
+c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O	XV6	[4r-(4alpha,5alpha,6beta,7beta)]-3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1h-1,3-diazepine-1,3(2h)-d iyl] bis(methylene)]bis[n-2-thiazolylbenzamide]
+c1cc-2c(cc1S(=O)(=O)O)Cc3c2ccc(c3)S(=O)(=O)O	XV7	9h-fluorene-2,7-disulfonate
+c1cc(c(c(c1)Cl)c2ccc3c(c2)[nH]c(n3)O)OC(F)(F)F	XVD	6-[2-chloro-6-(trifluoromethoxy)phenyl]-1h-benzimidazol-2-ol
+c1ccc(cc1)C[C@@H](C(=O)CCl)NC(=O)OCc2ccccc2	XVE	phenylmethyl n-[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]carbamate
+CC(C)(C(=O)O)O/N=C(/c1c(sc(n1)N)Cl)\C(=O)N[C@@H](CN2CC(=C(N2)C(=O)O)C(=O)NCCN3C(=O)c4cc(c(cc4C3=O)O)O)C=O	XVG	1-[(2s)-2-{[(2z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1h-pyrazole-3-carboxylic acid
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5	XVJ	diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	XVM	diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	XVP	diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2s)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
+CC[C@](C)(C(=O)CCCC[C@H]1C=CC(=O)O1)O	XVR	(5s)-5-[(6r)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5h)-one
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC	XVS	diethyl [(4-{(2s,3r)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)scn5	XVV	diethyl [(4-{(2s,3r)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO	XVY	diethyl [(4-{(2s,3r)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+CCOC(=O)CCCC[C@@H](C(=O)O)N	XW1	(2s)-2-amino-7-ethoxy-7-oxoheptanoic acid
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5	XW4	diethyl [(4-{(2s,3r)-4-{[(2h-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+c1cc(sc1c2cc(no2)[C@H]3[C@@H]4[C@H]([C@H]5[N@@]3CCC5)C(=O)N(C4=O)CCC[N+]6(CCCC6)CCO)Cl	XWG	(3as,4r,5s,8as,8br)-4-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-2-[3-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]propyl]-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizine-1,3-dione
+Cc1ccc(cc1NC(=O)C)NC(=O)c2ccc3c(c2)c(nn3C)c4ccc(cc4C)N	XWJ	n-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1h-indazole-5-carboxamide
+Cc1ccc(cc1NC(=O)c2ccc(cc2)C(=O)NC)NC(=O)c3ccc4c(c3)c(nn4C)c5ccc(cc5C)N	XWP	n~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1h-indazole-5-carbonyl]amino}-2-methylphenyl)-n~4~-methylbenzene-1,4-dicarboxamide
+c1ccc(cc1)N2CC[C@H](N[C@H]2O)O	XWS	(2r,4r)-1-phenylhexahydropyrimidine-2,4-diol
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3ccnc4)C5(CC5)[S@](=N)(=O)C	XWV	5-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(s-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline
+C[C@@H](c1ncc(cn1)F)Nc2nc(nc(n2)N3CCOCC3)Nc4cn(cn4)C	XWW	n2-[(1s)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cccc4)C5(CC5)[S@](=N)(=O)C	XWY	(3r)-3-methyl-4-{6-[1-(s-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine
+c1cc(c(cc1NC(=O)CCl)S(=O)(=O)N2CCOCC2)Cl	XX0	2-chloro-n-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide
+c1[nH]c2c(n1)ncnc2NCCCC[C@@H](C(=O)O)N	XX1	n~6~-7h-purin-6-yl-l-lysine
+C1=CC(=O)[C](C=C1[N+](=O)[O-])O	XX2	1-keto,2-hydroxy,4-nitrobenzene, 1 electron oxidized
+C1=CC(=O)[C@@](C=C1[N+](=O)[O-])(O)OO	XX3	(1s)-1-hydroperoxy-1-hydroxy-2-keto-5-nitrocyclohexa-3,5-diene
+CN(C1CCCCC1)C(=O)CCN2Cc3cc(ccc3N=C2N)C(=O)c4ccccc4	XX4	3-(2-amino-6-benzoylquinazolin-3(4h)-yl)-n-cyclohexyl-n-methylpropanamide
+CC(C)C[C@@H](C(=O)O)N[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)C(=O)O	XX5	(s,s)-2-{1-carboxy-2-[3-(3,5-dichloro-benzyl)-3h-imidazol-4-yl]-ethylamino}-4-methyl-pentanoic acid
+c1ccc2c(c1)cc(c3c2cccc3)OC[C@@H](CNC(CO)CO)O	XX6	2-{[(2r)-2-hydroxy-3-(9-phenanthryloxy)propyl]amino}propane-1,3-diol
+c1ccc2c(c1)cc(c3c2cccc3)OC[C@H](CNC(CO)CO)O	XX7	2-{[(2s)-2-hydroxy-3-(9-phenanthryloxy)propyl]amino}propane-1,3-diol
+Cc1ncc(c(n1)N)Cc2cccc(c2)CO	XX8	{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}methanol
+CC(C)(C)c1cc(ccc1O)N(Cc2ccccc2)C(=O)c3c(cc(cc3Cl)N(C)C)Cl	XX9	n-benzyl-n-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide
+C[C@H](C/C=C/C=C)[C@H]([C@@H](C(=O)O)NC)O	XXA	2,4,5-trideoxy-2-(methylamino)-4-[(2e)-penta-2,4-dien-1-yl]-l-xylonic acid
+CCCCn1c(ccn1)C(=O)O	XXB	1-butyl-1h-pyrazole-5-carboxylic acid
+c1ccc(cc1)CCCCCCC(=O)O	XXC	7-phenylheptanoic acid
+C(C[C@@H](CO)O)CO	XXD	(2s)-pentane-1,2,5-triol
+c1ccn(c1)c2ccnc(c2)C(=O)O	XXE	4-(1h-pyrrol-1-yl)pyridine-2-carboxylic acid
+C1=CC(=O)C(C=C1S(=O)(=O)O)(O)O	XXG	3,3-dihydroxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid
+c1cc(ccc1C=O)[N+](=O)[O-]	XXH	4-nitrobenzaldehyde
+c1ccc(cc1)S(=O)(=O)CCc2cc3c(nc2)N(C(=O)C(=C3N)C(=O)NCc4ccc(cc4F)F)O	XXJ	4-azanyl-n-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide
+c1cc2c3c(c(nc(n3)c4cc(cc(c4)O)N)N5CCOCC5)oc2nc1	XXK	3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol
+CCOC(=O)CN1c2ccccc2OCC1=O	XXL	ethyl (3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl)acetate
+C1[C@@]([C@H]([C@H](O1)O)O)(CO)O	XXM	3-c-(hydroxylmethyl)-alpha-d-erythrofuranose
+c1cc(oc1)c2cc(ccn2)C(=O)O	XXO	2-(furan-2-yl)pyridine-4-carboxylic acid
+C(=C/C(=O)C(=O)O)/C(=C\O)/[N+](=O)[O-]	XXP	2-keto,5-nitro,6-hydroxy-3,5-hexadienoic acid
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O	XXR	alpha-d-rhamnopyranose
+C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cn[nH]4)C5(CC5)[S@](=N)(=O)C	XXS	4-{4-[(3r)-3-methylmorpholin-4-yl]-6-[1-(s-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1h-indazole
+C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1[C@H](C[C@@H]3O)OC(=O)C)C)OC(=O)C)C(=C)C(=O)O2	XXT	[(3as,5r,5as,6s,8s,8as,9s,9ar)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-6-yl] acetate
+C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4c3cc[nH]4)C5(CC5)S(=O)(=O)N	XXV	1-{6-[(3r)-3-methylmorpholin-4-yl]-2-(1h-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide
+C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O)O)N	XXX	(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-d-glucopyranoside
+C[C@H]([C@@H](c1nc(c(n1CC(=O)O)[O-])Cc2cnc[nH]2)N)O	XXY	2-[(1r,2r)-1-amino-2-hydroxypropyl]-1-(carboxymethyl)-4-(1h-imidazol-5-ylmethyl)-1h-imidazol-5-olate
+c1cc2c(c(c1)F)C(=NC3(N2)CCN(CC3)C(=O)c4ccc(cc4)CN)N	XXZ	1-[4-(aminomethyl)benzoyl]-5'-fluoro-1'h-spiro[piperidine-4,2'-quinazolin]-4'-amine
+c1cc(ccc1C(=O)O)/N=N/c2cc(ccc2O)CCN	XY1	4-[(e)-[5-(2-azanylethyl)-2-oxidanyl-phenyl]diazenyl]benzoic acid
+CC(=O)N(C)CCN(C)c1ccc(c2c1non2)[N+](=O)[O-]	XY2	n,n'-dimethyl-n-(acetyl)-n'-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)ethylenediamine
+Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)N)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO	XY3	5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1h-imidazole-2-carboxamide
+CC(C)NC(=O)Nc1ccccc1	XY4	n-phenyl-n'-propan-2-ylurea
+c1cc2c(cc1N)/N=N\c3cc(ccc3CC2)NCC=O	XY5	2-[[(5~{z})-8-azanyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-3-yl]amino]ethanal
+C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(O)O)O)F	XY7	1-[2-deoxy-5-o-(dihydroxyphosphanyl)-2-fluoro-beta-l-ribofuranosyl]pyrimidine-2,4(1h,3h)-dione
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N	XYA	2-(6-amino-octahydro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O)O)O)O	XYB	4-o-beta-d-xylopyranosyl-beta-d-xylopyranose
+C1CCC(C1)C[C@@H](C(=O)O)N	XYC	(2~{s})-2-azanyl-3-cyclopentyl-propanoic acid
+Cc1ccc(c(c1)N)C	XYD	2,5-dimethylaniline
+[C@H]1([C@H]([C@@H](O[C@@H]([C@H]1O)F)[O-])O)O	XYF	5(r)-fluoro-beta-d-xylopyranose
+[H]/N=C(\C)/C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O	XYG	[(4z)-2-[(1z)-ethanimidoyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1h-imidazol-1-yl]acetic acid
+[C@H]([C@@H](C(=O)NO)O)([C@H](C(=O)[O-])O)O	XYH	xylarohydroxamate
+CN1c2c(nc([nH]2)SCCC(=O)NS(=O)(=O)CCN3CCOCC3)C(=O)N(C1=O)C	XYJ	3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1h-purin-8-yl)sulfanyl]-n-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide
+C([C@@H](C([C@@H](CO)O)O)O)O	XYL	xylitol
+C(C(=O)O)S/C=C(/C(=O)O)\O	XYM	(2z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid
+C(C(=O)C(=O)O)SCC(=O)O	XYN	3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid
+C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	XYP	beta-d-xylopyranose
+CC(=O)O[C@@H]1[C@@H]([C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	XYQ	(2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate
+C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O	XYS	alpha-d-xylopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O	XYT	cellobiose-6-phosphate
+CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)c3c(nc(s3)N4CCOCC4)c5cccc(c5)NS(=O)(=O)c6c(cccc6F)F	XYW	2,6-bis(fluoranyl)-n-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
+Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)C)Cl	XYY	(3s)-{4-chloro-3-[(n-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1h-1,2,3-benzotriazol-5-yl) propanoic acid
+C([C@@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O	XYZ	beta-d-xylofuranose
+COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F	XZ1	4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol
+CN(C)S(=O)(=O)c1cc(c(c2c1CN(C2=O)Cc3ccc(c(c3)Cl)F)O)O	XZ2	2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-n,n-dimethyl-1-oxo-2,3-dihydro-1h-isoindole-4-sulfonamide
+COc1ccc2c(n1)N(C(=O)C(=C2NCC(=O)OC)C(=O)NCc3ccc(cc3F)F)O	XZ4	methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-7-methoxy-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate
+C[C@H]([C@@H](c1ccc(cc1)Cl)C(=O)Nc2cc(ccc2Cl)[C@@H](CC(=O)O)C3CC3)C(F)(F)F	XZ7	runcaciguat
+CC1=C(C(=O)NN1)c2cn(c3c2cccc3)C(=O)C	XZ8	4-(1-acetyl-1h-indol-3-yl)-5-methyl-1,2-dihydro-3h-pyrazol-3-one
+C(=O)(NN)O	XZA	diazanecarboxylic acid
+CN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F	XZB	n-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4h,5h-thieno-3,2-c-pyridine-2-carboximidamide
+CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc-6ccnc6n(c5)COP(=O)(O)O)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C	XZD	phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester
+c1ccc(cc1)SC[C@@H](CCN2CCOCC2)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c4csc(n4)N5CCc6cccc(c6C5)C(=O)Nc7nc8ccccc8s7	XZM	n-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2r)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
+CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)OC)Cl	XZN	4-[(3,5-dichloro-4-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
+C1C[C@H]([C@@H](C1)N)C(=O)O	XZP	(1r,2r)-2-aminocyclopentane-1-carboxylic acid
+Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3cc(c(c(c3)F)C4CCN(CC4)C)F	XZS	n-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide
+c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl	XZV	4-(5-chlorofuran-2-carbonyl)-n-(cyclopropylmethyl)piperazine-1-carboxamide
+c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F)Cl	XZY	4-(5-chlorofuran-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
+CC1=CC(=O)Oc2c1cc(c(c2)O)Cl	XZZ	6-chloro-7-hydroxy-4-methyl-2h-chromen-2-one
+c1ccc(cc1)[C@@H](CO)Nc2c3c(ncn2)n(cn3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O	Y	2'-deoxy-n6-(s)styrene oxide adenosine monophosphate
+C[C@H](CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O	Y00	dobutamine
+CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C	Y01	cholesterol hemisuccinate
+Cc1cc(c(c(c1)C)OCCNC(=O)[C@@H]([C@@H]([C@H]([C@@H](/C=C/C(C)(C)C)O)O)O)OC)C	Y02	(2r,3r,4s,5r,6e)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-n-[2-(2,4,6-trimethylphenoxy)ethyl]non-6-enamide
+c1ccc(c(c1)OCC(=O)Nc2cc(cc(c2)Cl)Cl)P(=O)(O)O	Y03	(2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+c1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)Cl	Y04	(2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+c1ccc(c(c1)OCC(=O)Nc2cccc(c2)Cl)P(=O)(O)O	Y06	(2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)P(=O)(O)O	Y07	[2-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethoxy)phenyl]phosphonic acid
+CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC[C@@H]1CCCN(C1)C(=O)C2CC2)OC)O)O)O	Y08	(e,2r,3r,4s,5r)-n-[[(3s)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide
+COc1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O	Y09	(2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
+CCCCNC(=O)N1CCN(CC1)C(=O)c2ccco2	Y0A	n-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
+c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3	Y0D	n-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
+COc1ccc(c(c1)F)NC(=O)N2CCN(CC2)C(=O)c3ccco3	Y0G	n-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
+c1ccc2c(c1)nc(o2)NC(=O)N3CCN(CC3)C(=O)c4ccco4	Y0J	n-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
+Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N	Y0R	5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
+c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)I	Y0V	2-hydroxy-3,5-diiodo-4-(1h-pyrrol-1-yl)benzoic acid
+COc1c(ccc(c1)c2cc(c(cc2)/N=N/c3c(c4c(c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)N)O)OC)/N=N/c5c(c6c(c(cc(c6cc5)S(=O)(=O)O)S(=O)(=O)O)N)O	Y0X	6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(e)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid)
+COc1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3	Y0Y	4-(furan-2-carbonyl)-n-(4-methoxyphenyl)piperazine-1-carboxamide
+[Y+2]	Y1	yttrium ion
+CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC1Cc2ccccc2C1)OC)O)O)O	Y10	(e,2r,3r,4s,5r)-n-(2,3-dihydro-1h-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide
+CN1CCC(CC1)(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3	Y11	n-[(1s)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
+CC(=O)Oc1ccc(cc1OC(=O)C)\C=C\C(=O)NCCc2ccccc2	Y12	4-{(1e)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}-1,2-phenylene diacetate
+c1cc(ccc1CCNC(=O)\C=C\c2ccc(c(c2)O)O)O	Y13	(2e)-3-(3,4-dihydroxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]acrylamide
+c1ccc(cc1)C[N@]2CC[C@](C2)(C#N)NC(=O)[C@H](CC3CCCCC3)NC(=O)N4CCOCC4	Y14	n-[(1s)-2-{[(3s)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
+C[C@](COCc1ccccc1)(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3	Y15	n-[(1s)-2-{[(1r)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
+CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC(=O)N)OC)O)O)O	Y16	(e,2r,3r,4s,5r)-n-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide
+CN1C[C@@H](CC1=O)CCn2c3ccccc3c4c2CCNC4=O	Y17	5-{2-[(3r)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-1-one
+CN1C[C@H](CC1=O)Cn2c3ccccc3c4c2CCNC4=O	Y18	5-{[(3r)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-1-one
+CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O	Y19	1-deoxy-1-{[(5s)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-d-ribitol
+CC(C)NC(=O)N1CCN(CC1)C(=O)c2ccco2	Y1A	4-(furan-2-carbonyl)-n-(propan-2-yl)piperazine-1-carboxamide
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3F)F	Y1D	n-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
+c1ccc(cc1)c2c(c3ccc(cc3o2)Br)CC(=O)O	Y1G	(6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3	Y1J	n-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3=SCCC3	Y1M	n-[(3,4-dihydro-2h-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
+CC(C)(C(=O)O)Oc1ccc(cc1)CCOc2ccc(cc2)/N=N/c3ccccc3	Y1N	2-methyl-2-[4-[2-[4-[(e)-phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic acid
+COCCNC(=O)N1CCN(CC1)C(=O)c2ccco2	Y1P	4-(furan-2-carbonyl)-n-(2-methoxyethyl)piperazine-1-carboxamide
+c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F	Y1S	4-(furan-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
+C[C@H](C[C@@H](C(=O)O)N)CN	Y1V	(4r)-5-amino-l-leucine
+COc1ccc2c(c1)c(c(cn2)F)[C@H](CC3OCC(CO3)NCc4ccc5c(c4)OCCO5)O	Y1W	(1s)-2-[(2r,5s)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol
+Cc1ccc(s1)C(=O)OC[C@H]([C@H](CC(=O)O)N)O	Y1Y	3-amino-2,3-dideoxy-5-o-(5-methylthiophene-2-carbonyl)-d-erythro-pentonic acid
+Cc1nnc2n1nc(c3c2cccc3)c4ccc(c(c4)NS(=O)(=O)c5ccccc5Cl)N6CCOCC6	Y1Z	2-chloro-n-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide
+C[C@H]1COc2c3c(cc(c2N4CC[C@H](C4)C5(CC5)N)F)C=C(C(=O)N31)C(=O)O	Y21	(3s)-10-[(3r)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
+c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C(F)(F)F	Y22	6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid
+C[C@H](C[C@@H](C[C@H](C[C@@H](CCN1CCCC1=O)N2CCCC2=O)N3CCCC3=O)N4CCCC4=O)N5CCCC5=O	Y24	1,1',1'',1''',1''''-[(3r,5s,7s,9r)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one)
+C[C@H](C1CCC(CC1)C(=O)Nc2ccncc2)N	Y27	(r)-trans-4-(1-aminoethyl)-n-(4-pyridyl) cyclohexanecarboxamide
+c1ccc(cc1)COc2ccc(cc2)C[C@H](C(=O)O)NC(=O)C(=O)O	Y28	o-benzyl-n-(carboxycarbonyl)-d-tyrosine
+C(C(=O)O)[C@](CC(=O)OP(=O)(O)O)(C(=O)O)O	Y2A	(2s)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@H]3C[C@@H]3c4cccc(c4)F	Y2B	6-{[(3r,4r)-4-(2-{[(1s,2r)-2-(3-fluorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+C=CC(=O)N1C[C@H]([C@@H](C1)OCc2ccc(cc2)C(F)(F)F)n3cc(nn3)c4cccnc4	Y2D	1-[(3r,4r)-3-[4-(pyridin-3-yl)-1h-1,2,3-triazol-1-yl]-4-{[4-(trifluoromethyl)phenyl]methoxy}pyrrolidin-1-yl]prop-2-en-1-one
+Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCN[C@@H](C)Cc3cccc(c3)F	Y2F	6-{[(3r,4r)-4-(2-{[(2s)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
+Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCCOC	Y2G	n-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
+COCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)Cl	Y2J	4-(5-chlorofuran-2-carbonyl)-n-(2-methoxyethyl)piperazine-1-carboxamide
+Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3	Y2M	n-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
+C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@@]3(C[C@H](c4c3ccc(c4)c5cnn(c5)CC(=O)NC)F)NC2=O	Y2P	2-[4-[(3'r,4s)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1s)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-n-methyl-acetamide
+Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC(F)(F)F	Y2V	4-(5-methylfuran-2-carbonyl)-n-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
+C(CC(=O)O)[C@H]([C@H](CC(=O)O)N)O	Y2Y	(3s,4r)-3-amino-4-hydroxyheptanedioic acid
+CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O	Y3	4-acetylamino-5-hydroxynaphthalene-2,7-disulfonic acid
+CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)OCc4ccc(cc4)Cl)C=O	Y30	3-{(1s)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1h-indole-2-carboxylic acid
+c1c(cncc1Br)C(=O)O	Y31	5-bromopyridine-3-carboxylic acid
+c1c2c(c(s1)C(=O)O)OCCO2	Y34	2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid
+[B-]1(Oc2ccc(cc2O1)C(=O)N3CCC(CC3)c4cccc(c4)CN)(c5cccc(c5)c6cccc(c6)C(=O)N7CCC(CC7)c8cccc(c8)CN)O	Y35	(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappao)phenyl]methanonato(2-)hydroxyborate(1-)
+CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC)C	Y36	n-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1h-indol-4-yl}ethanesulfonamide
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C[C@@H](C[C@H]2F)C(=O)O)O	Y37	(1r,4r)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid
+CC(C)[C@H](C(=O)O)N(CCNC(=O)c1ccccc1)S(=O)(=O)c2ccc(cc2)c3ccccc3	Y38	n-[2-(benzoylamino)ethyl]-n-(biphenyl-4-ylsulfonyl)-d-valine
+CCCCCCCCC[C@H]1C[C@@H]1C(=O)O	Y39	(1s,2s)-2-nonylcyclopropanecarboxylic acid
+c1ccc(cc1)C[C@@H]([C@H](CCl)O)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2	Y3A	n-[(benzyloxy)carbonyl]glycyl-n-[(2s,3r)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]glycinamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2C[C@H](CC2=O)C(=O)O)O	Y3D	(1r,3s)-3-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid
+C#CC1=CNC(=O)NC1=O	Y3G	5-ethynylpyrimidine-2,4(1h,3h)-dione
+c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)C(F)F)O)O)N	Y3J	5,5-difluoromethyl adenosine
+CC(=O)Nc1nc2ccc(cc2s1)Cl	Y3L	n-(5-chloranyl-1,3-benzothiazol-2-yl)ethanamide
+CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(CCCC3=N2)O)c4ccc(o4)Sc5[nH]c6ccccc6n5	Y3M	ethyl (9s)-9-[5-(1h-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2h-pyrrolo[3,4-b]quinoline-3-carboxylate
+C(=C(/C(=O)O)\O)\C(=O)O	Y3P	(~{z})-2-oxidanylbut-2-enedioic acid
+C[C@H]1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O)c3c(ccs3)F	Y3S	(2r)-4-(3-fluorothiophene-2-carbonyl)-n-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
+CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](Cc3ccc(cc3)O)N)O)O	Y3U	[(2~{r},3~{s},4~{r},5~{r})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
+C[C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3cccn3C	Y3V	(2s)-n-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1h-pyrrole-2-carbonyl)piperazine-1-carboxamide
+C[C@H]1CN(CCN1C(=O)NCCOC)C(=O)c2cccs2	Y3Y	(2s)-n-(2-methoxyethyl)-2-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
+Cc1c(cccc1N)C(=O)N[C@H](C)c2cccc3c2cccc3	Y41	3-amino-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide
+c1cc(cnc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3	Y44	n-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
+c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NS(=O)(=O)c3ccccc3)N	Y46	n-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzenesulfonamide
+Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3	Y47	4-(5-methylfuran-2-carbonyl)-n-[(pyridin-3-yl)methyl]piperazine-1-carboxamide
+c1ccc(cc1)N2c3c(c(nc(n3)c4ccc(cc4)C(=O)O)C(=O)N)NC2=O	Y49	4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7h-purin-2-yl)benzoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2	Y4D	(1r,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@@H]3CC=C[C@@H](C3)C2	Y4J	(1r,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CN(C)S(=O)(=O)Nc1ccc(cc1)Cl	Y4L	((4-chlorophenyl)sulfamoyl))dimethylamine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@H]3CC[C@@H]2C3	Y4P	(1r,2s)-2-((s)-2-(((((1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(=O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3	Y4V	(1r,2s)-2-((s)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)N)OC)OC)C	Y50	e-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3C[C@H]2C=C3	Y51	(1r,2s)-2-((s)-2-(((((1s,2s,4s)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CO/C=C(\c1ccccc1CSc2nc3cc(ccc3s2)OC)/C(=O)OC	Y52	methyl (2e)-3-methoxy-2-(2-{[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl)prop-2-enoate
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@@H]4CC[C@@H](C4)O)NC5CNC5	Y54	5-[(azetidin-3-yl)amino]-n-[(1r)-1-{3-[5-({[(1r,3s)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide
+c1cc(oc1)c2ccc3c(c2)C(=O)N(C(=O)C3)O	Y55	7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2h,4h)-dione
+CC(C)N(CCCC[C@@H](C(=O)O)N)CCc1ccccc1	Y57	n~6~-(2-phenylethyl)-n~6~-propan-2-yl-l-lysine
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(c(c5)F)C6CCN(CC6)C	Y5D	{1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile
+CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C6CCN(CC6)C	Y5G	{1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile
+C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4coc(n4)c5ccc(s5)Cl	Y5H	3-[(3as,4r,5s,8as,8br)-4-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
+COc1ccc2c(c1)NC(=O)CN2c3c4c(cco4)nc(n3)Cl	Y5J	4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)Cl)CCC4	Y5L	4-(2-chloro-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+Cc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2	Y5M	7-methoxy-4-(2-methyl-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1h)-one
+C1C=CN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O	Y5P	1-(5-o-phosphono-beta-d-ribofuranosyl)-1,4-dihydropyrimidine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2	Y5S	(1s,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+Cc1ccccc1C2=NC(=C(C(=O)N2)O)C(=O)NCCc3ccc(c(c3)OC)O	Y5V	5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
+CCn1c2c(c(ncn2)N[C@H]3CCN(C3)C(=O)C4CC4)nc1c5cnc(nc5)C	Y5Y	cyclopropyl[(3s)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9h-purin-6-yl]amino}pyrrolidin-1-yl]methanone
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CNC(=O)C)NC4CNC4	Y61	n-[(1r)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@@H]2C[C@@H]3CC=C[C@@H](C3)C2	Y64	(1s,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1ccc2c(c1)nnn2CC(=O)N(Cc3cccc(c3)Cl)c4ccc(cc4)C5=CC=CNC5=O	Y67	2-(benzotriazol-1-yl)-~{n}-[(3-chlorophenyl)methyl]-~{n}-[4-(2-oxidanylidene-1~{h}-pyridin-3-yl)phenyl]ethanamide
+CCOCCOCCOCCCCCCCCCCC=O	Y69	11-[2-(2-ethoxyethoxy)ethoxy]undecanal
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5c[nH]nc5	Y6A	2-(benzotriazol-1-yl)-~{n}-[4-(1~{h}-pyrazol-4-yl)phenyl]-~{n}-(thiophen-3-ylmethyl)ethanamide
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5cccnc5	Y6D	2-(benzotriazol-1-yl)-~{n}-(4-pyridin-3-ylphenyl)-~{n}-(thiophen-3-ylmethyl)ethanamide
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)c5c[nH]cn5	Y6G	2-(benzotriazol-1-yl)-~{n}-[4-(1~{h}-imidazol-4-yl)phenyl]-~{n}-(thiophen-3-ylmethyl)ethanamide
+c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)C5CC5	Y6J	~{n}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide
+c1cc2c(cc1O)NC(CC2)O	Y6M	(2r)-1,2,3,4-tetrahydroquinoline-2,7-diol
+Cc1cccc2c1[nH]c(c2c3c[nH]nc3)C(=O)O	Y6P	7-methyl-3-(1~{h}-pyrazol-4-yl)-1~{h}-indole-2-carboxylic acid
+c1cc(cc2c1cc([nH]2)C(=O)O)I	Y6S	6-iodanyl-1~{h}-indole-2-carboxylic acid
+c1cc(sc1)CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4	Y6V	~{n}-cyclopropyl-3-oxidanylidene-~{n}-(thiophen-2-ylmethyl)-4~{h}-1,4-benzoxazine-7-carboxamide
+C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CCC[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O	Y6W	[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (s)-{3-[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]propyl}phosphonate
+Cc1cc(ccc1c2ccc(cc2)S(=O)(=O)C)OCc3nnc(n3c4cccnc4)SC5CCCC5	Y6Y	3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine
+c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O	Y70	s-pomalidomide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3C[C@H]2C=C3	Y71	(1s,2s)-2-((s)-2-(((((1s,2s,4s)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+C/C(=C/COP(=O)(O)O)/CCN=[N]=N	Y77	[(~{z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate
+CCCC/C(=C\COP(=O)(O)OP(=O)(O)O)/C	Y7D	(2z)-3-methylhept-2-en-1-yl trihydrogen diphosphate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@H]3CC[C@@H]2C3	Y7G	(1s,2s)-2-((s)-2-(((((1r,2s,4s)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC23CC4CC(C2)CC(C4)C3	Y7M	(1s,2s)-2-((s)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN	Y7N	5-[(e)-[(2s)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C[C@@H](C[C@@H]2C)C(=O)O)O	Y7S	(1~{r},3~{s},4~{r})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid
+c1cc(cc(c1)I)F	Y7V	1-fluoranyl-3-iodanyl-benzene
+COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)N(C(=O)N2)C(=O)OC	Y7Y	methyl (3as,4s,6ar)-4-(5-methoxy-5-oxopentyl)-2-oxohexahydro-1h-thieno[3,4-d]imidazole-1-carboxylate
+COc1ccc(cc1)/C=C(\c2ccccc2)/C(=O)N3CC(=O)Nc4c3cccc4	Y80	4-[(2e)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1h)-one
+c1ccc(cc1)c2cc(cnc2)C(=O)N3CC(=O)Nc4c3cccc4	Y81	4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1h)-one
+CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSC[C@H](C(=O)NCc3cccnc3)Nc4ccccc4	Y83	tert-butyl [(2s)-1-(1h-indol-3-yl)-3-{[(2s)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
+c1ccc2c(c1)cccc2F	Y84	1-fluoranylnaphthalene
+c1cc(ccc1F)Br	Y87	1-bromanyl-4-fluoranyl-benzene
+CC1=NCCc2c1n(c3c2cc(cc3)OC)Cc4ccc(cc4)Cl	Y8A	9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3h-beta-carboline
+c1cc(ccc1F)I	Y8D	1-fluoranyl-4-iodanyl-benzene
+CCCCc1cccs1	Y8G	2-butylthiophene
+c1cc(c(cc1Br)Br)O	Y8I	2,4-bis(bromanyl)phenol
+CCCCc1cccnc1	Y8J	3-butylpyridine
+CC1=C(SC(=O)N1C)c2ccnc(n2)N=C3CC=C(C=C3)N4CCNCC4	Y8L	3,4-dimethyl-5-(2-{[(1z)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]amino}pyrimidin-4-yl)-1,3-thiazol-2(3h)-one
+c1ccc(cc1)CCCc2ccc(cc2)N	Y8M	4-(3-phenylpropyl)aniline
+Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CC(CC[C@@H]2C)C(=O)O)O	Y8P	(3~{s},4~{s})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3CC=C[C@@H](C3)C2	Y8S	(1r,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@H]2C[C@@H]3CC=C[C@@H](C3)C2	Y8V	(1s,2s)-2-((s)-2-(((((1r,3s,5s)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2	Y8Y	(1r,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2C[C@@H]3CCC[C@@H](C3)C2	Y91	(1s,2s)-2-((s)-2-(((((1r,3r,5s)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)NCC=C	Y94	2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)NC(=O)N	Y95	5-[(carbamoylcarbamoyl)amino]-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)/C=N/O	Y96	5-[(e)-(hydroxyimino)methyl]-2-methyl-n-[(1r)-1-(naphthalen-1-yl)ethyl]benzamide
+Cc1ccc(cc1C(=O)N[C@H](C)c2cccc(c2)c3ccc(s3)CN[C@@H]4CCOC4)NC5CNC5	Y97	5-(azetidin-3-ylamino)-2-methyl-~{n}-[(1~{r})-1-[3-[5-[[[(3~{r})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide
+Cc1ccc(cc1)COc2cccc(c2)CNc3[nH]nnn3	Y9A	~{n}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{h}-1,2,3,4-tetrazol-5-amine
+c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c(nsn3)O)F)F	Y9B	4-oxidanyl-~{n}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide
+c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O	Y9Y	paranitrophenyl-alpha-l-galactopyranoside
+CC(=O)NCCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O	Y9Z	5'-o-[(s)-{[(s)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
+CCCC[C@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YA1	(1r,3r,7e,17beta)-17-[(2r,3r)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CCCC[C@H](CC(CC)(CC)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YA2	(1r,3r,7e,17beta)-17-[(2r,3r)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCc4cn(nn4)CCCCNC(=O)CNc5cccc6c5C(=O)N(C6=O)C7CCC(=O)NC7=O)c8ccc(cc8)Cl)C	YA3	2-((s)-4-(4-chlorophenyl)-2,3,9-trimethyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-n-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1h-1,2,3-triazol-4-yl)methyl)acetamide
+C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)S)O)O	YA4	[(2~{r},3~{s},4~{s})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid
+C[C@@H]1CN(C[C@@H](O1)C)c2cc(ccn2)c3cc(c4c(c3)C(=O)NC4)c5cc(c(nc5)OC)NS(=O)(=O)C	YA7	n-(5-(6-(2-((2s,6r)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide
+c1ccc(cc1)C(=O)/C=C\CCC(=O)O	YAC	(4z)-6-oxo-6-phenylhex-4-enoic acid
+c1ccc(cc1)COC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)NCCc4ccncc4	YAD	(phenylmethyl) (2~{s})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{h}-pyrimidin-2-yl]pyrrolidine-1-carboxylate
+COc1cccc(c1)c2ncc(s2)CN3CCC(CC3)(CO)O	YAG	4-(hydroxymethyl)-1-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-ol
+CN1C[C@@H](C[C@H]1CO)NC(=O)Cc2ccc3c(c2)NC(=O)CO3	YAJ	~{n}-[(3~{r},5~{s})-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-2-(3-oxidanylidene-4~{h}-1,4-benzoxazin-6-yl)ethanamide
+CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(=N2)C3=C([C@@H]4CCC[C@@H]4N(C3=O)Cc5ccc(cc5)F)O	YAK	n-{3-[(4ar,7as)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1h-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
+CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C	YAM	n-methyl-n-{3-[({2-[(2-oxo-2,3-dihydro-1h-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide
+c1ccc(c(c1)Cl)Cl	YAN	1,2-dichlorobenzene
+c1cc(ccc1C[C@@H](C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O	YAP	5'-o-[(r)-{[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine
+CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H]([C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	YAS	~{s}-[2-[3-[[(2~{r})-4-[[[(2~{s},3~{r},4~{s},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate
+c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)O)Cl	YAU	n-{2-chloro-5-[(3s,4r)-1-[(3r)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide
+Cc1ccc2c(c1)c(c(o2)C#Cc3cccc(c3)C(=O)NCCOCCOCCNC(=O)c4cccc(c4)C#Cc5c(c6cc(ccc6o5)C)CC(=O)O)CC(=O)O	YAV	2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid
+c1cc(c(cc1/C=C/C(=O)O)Cl)O	YAZ	(2e)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid
+[Yb+3]	YB	ytterbium (iii) ion
+[Yb+2]	YB2	ytterbium (ii) ion
+CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5NC(=O)CC)N6CCN(CC6)C)CC	YB4	~{n}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
+Cc1cc([nH]c1C(=O)N[C@@H](CN)c2ncc(s2)CO)c3ccc(cn3)C(F)(F)F	YB7	~{n}-[(1~{s})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1~{h}-pyrrole-2-carboxamide
+c1cc(c(cc1c2ccc([nH]2)C(=O)N[C@@H](CN)c3nc(cs3)CO)F)C(F)(F)F	YBA	~{n}-[(1~{s})-2-azanyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoranyl-4-(trifluoromethyl)phenyl]-1~{h}-pyrrole-2-carboxamide
+c1cc(c(cc1c2ccc([nH]2)C(=O)N[C@H](CN)c3ncc(s3)CO)F)Cl	YBD	~{n}-[(1~{r})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{h}-pyrrole-2-carboxamide
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC	YBG	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol
+c1ccc2c(c1)ncc(n2)Oc3ccc(cc3)C(=O)NCCCC[C@@H](c4cccs4)C(=O)N[C@@H](CC(=O)O)C=O	YBH	4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-butyric acid
+COc1cccc(c1)COC(=O)c2c(c3ccccc3s2)OC4CCNCC4	YBN	3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate
+c1ccc(cc1)CC2(CCN(CC2)C(=O)c3cccnc3c4ccncc4)O	YBS	[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone
+C1C[O@@H][Y]234[N]1(CC[O@@H]2)C(C[OH]3)(C[O@@H]4)CO	YBT	bis-(2-hydroxyethyl)amino-tris(hydroxymethyl)methane yttrium
+c1cc(c(cc1C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I)O	YBY	n-{[(1s)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-l-glutamic acid
+c1ccc(cc1)Cn2c3ccccc3c(n2)c4ccc(o4)CO	YC1	[5-[1-(phenylmethyl)indazol-3-yl]furan-2-yl]methanol
+c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I	YC2	n-{[(1s)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-l-glutamic acid
+c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O	YC8	3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid
+Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(ccc2CF)C(=O)O)O	YCD	(4~{r})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid
+[H]/N=C(\N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/O)/N)/C)/NO	YCF	(2e)-n-hydroxy-2-[1-(4-{[(4-{(1e)-1-[2-(n'-hydroxycarbamimidoyl)hydrazinylidene]ethyl}phenyl)carbamoyl]amino}phenyl)ethylidene]hydrazinecarboximidamide
+Cc1ccccc1C2=NN(C(C2)(C)C)C(=O)c3ccncc3	YCG	[5,5-dimethyl-3-(2-methylphenyl)-4~{h}-pyrazol-1-yl]-pyridin-4-yl-methanone
+Cc1ccc(c(c1)C(=O)N2CCC(CC2)(Cc3ccccc3)O)c4ccncc4	YCJ	(5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone
+[H]/N=C(/CCl)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1C(=O)O	YCL	2-{[(2s)-1-amino-5-{[(1z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid
+C([C@@H](C(=O)O)N)SCC(=O)N	YCM	s-(2-amino-2-oxoethyl)-l-cysteine
+C1CNCCNCCNCCN1	YCN	1,4,7,10-tetraazacyclododecane
+c1ccc2c(c1)N=C3C(=CN(C(=O)N3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)O2	YCO	3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-pyrimido[5,4-b][1,4]benzoxazin-2(3h)-one
+C1CCN[C@@H](C1)C(=O)O	YCP	(2s)-piperidine-2-carboxylic acid
+C[C@H](C(=O)N)Oc1ccc(cc1)Br	YCS	(2~{r})-2-(4-bromanylphenoxy)propanamide
+Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)OC	YCU	1-[5-(2-methoxyethyl)-4-methyl-thiophen-2-yl]sulfonyl-3-[4-methoxy-6-(methylcarbamoylamino)pyridin-2-yl]urea
+CN(C)C(=O)COc1c(cc(cc1OC)c2cccc3c2cn[nH]3)C=O	YCV	2-[4-(1~{h}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{n},~{n}-dimethyl-ethanamide
+COc1ccc(cc1)S(=O)(=O)Nc2ccccc2	YCY	4-methoxy-~{n}-phenyl-benzenesulfonamide
+c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl	YD1	6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{h}-pyrimidine-2,4-dione
+Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@H]4CCNC[C@H]4OCC5CCS(=O)(=O)CC5	YD3	8-[[(3r,4r)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1h-quinolin-2-one
+Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4CCNC[C@H]4OCC5CCS(=O)(=O)CC5	YD4	4-({[(3r,4r)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione
+CC(C)OC1CN(C1)C(=O)N[C@@H]2CCCCc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C	YD7	~{n}-[(5~{r})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{h}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide
+Cc1c(c([nH]c1c2[nH]c3ccc(cc3n2)N4CCN(CC4)C)C)C(=O)C	YD8	1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1h-benzimidazol-2-yl]-1h-pyrrol-3-yl]ethanone
+CC(C)(C)n1cc(nn1)C(=O)N[C@@H]2CCN(Cc3c2ccc(c3)c4ccnc(n4)Nc5cnn(c5)C)C6COC6	YDA	1-~{tert}-butyl-~{n}-[(5~{r})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide
+CCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O	YDD	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5s)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate
+CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N	YDI	5-[4-(2-dimethylaminoethyloxy)phenyl]-2-ureido-thiophene-3-carboxamide
+c1cc(cc(c1)F)c2cc(c(s2)C(=O)N[C@H]3CCCNC3)NC(=O)N	YDJ	5-(3-fluorophenyl)-n-[(3s)-3-piperidyl]-3-ureido-thiophene-2-carboxamide
+c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3	YDK	2-(carbamoylamino)-5-phenyl-n-[(3s)-piperidin-3-yl]thiophene-3-carboxamide
+CC(=CCN([C@H]1CNC[C@@H]1N(CC=C(C)C)S(=O)(=O)c2ccc(cc2)C(=O)N)S(=O)(=O)c3ccc(cc3)C(=O)N)C	YDP	(3s,4s),-3,4-bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)SC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O	YDR	6-s-alpha-d-mannopyranosyl-6-thio-alpha-d-mannopyranose
+C[C@@](CS(=O)(=O)C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(n3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O	YDY	(2s)-n-[(6as,7r,9as)-9a-[(4-fluorophenyl)sulfonyl]-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6,6a,7,8,9,9a-hexahydro-5h-cyclopenta[f]quinolin-7-yl]-2-hydroxy-2-methyl-3-(methylsulfonyl)propanamide
+C[n+]1cn(c2c1c(nc(n2)N)O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[P@](=O)(OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)OC	YDZ	[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O	YE1	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-4-({3-[(2-{[(3,5-dihydroxyphenyl)acetyl]amino}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS/C(=C/c4cc(cc(c4)O)O)/O)O	YE2	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{r})-4-[[3-[2-[(~{e})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
+CN1C=C(C(=O)c2c1ccc(c2)CN3CCOCC3)C(=O)NCc4ccc(cc4)Cl	YE4	n-(4-chlorobenzyl)-1-methyl-6-(morpholinomethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
+CCOc1ccc(cc1c2cccc(c2)c3n[nH]nn3)C(=O)C	YE5	1-[4-ethoxy-3-[3-(2~{h}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone
+c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl	YE6	5-(2-chlorophenyl)furan-2-carbohydrazide
+c1ccc2c(c1)ccn3c2nc(c3)C(=O)NN	YE7	imidazo[2,1-a]isoquinoline-2-carbohydrazide
+CC[C@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc3cn(c4c3cccc4)OC)CCCCCC(CC)(O)O	YED	(3s,6s,9s,15ar)-9-[(2s)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1h-indol-3-yl)methyl]octahydro-2h-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3h,12h)-tetrone
+C1CCC(C1)O	YEG	cyclopentanol
+CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4	YEJ	8-[[(3r,4r)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-1h-1,7-naphthyridin-2-one
+CCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C	YEM	n-{(1s)-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]pentyl}-1-methylazetidine-3-carboxamide
+CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N	YEN	n-{(2s)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-alpha-glutamyl-l-aspartamide
+C(CO)C(CCO)C(CO)(CO)CO	YES	3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol
+Cc1cc2cc(ccc2o1)/N=C(/NC#N)\N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4	YET	1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine
+CCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H](C)c4c([nH]c5c4cc(cc5)O)C	YEV	(2r)-2-(5-hydroxy-2-methyl-1h-indol-3-yl)-n-{(1s)-1-[5-(2-methoxyquinolin-3-yl)-1h-imidazol-2-yl]pentyl}propanamide
+CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccc[nH]4	YEX	5-methyl-8-(1h-pyrrol-2-yl)[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
+c1cc([nH]c1)c2ccc3c(c2)OCCO3	YEY	2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1h-pyrrole
+Cc1cnc(nc1N)C	YF1	2,5-dimethylpyrimidin-4-amine
+CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)c5cn(c6c5C=CNC6=O)C	YF2	n-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1h-pyrrolo[2,3-c]pyridin-3-yl)-1h-indol-4-yl}ethanesulfonamide
+Cc1ncc(c(n1)N)CNC(C)CS	YF3	2-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}propane-1-thiol
+CCN(C)Cc1cnc(nc1N)C	YF4	5-{[ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine
+CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)C5=CN(C(=O)C(=C5)NC6CCNCC6)C	YF6	n-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1h-indol-4-yl)ethanesulfonamide
+Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4cccc(c4)F)P(=O)(O)O	YF7	[(1s)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid
+CN1CCC(CC1)c2ccc(cc2)c3ccc4c(c3F)C(=O)N(C=N4)[C@H](c5ccccc5)C(=O)Nc6nccs6	YFA	(2r)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4h)-yl}-2-phenyl-n-(1,3-thiazol-2-yl)acetamide
+CC(=CCC/C(=C/Cc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)/C)C	YFB	amorfrutin b
+CCCCCc1cc(c(c(c1C(=O)O)O)CC=C(C)C)OC	YFD	amorfrutin 2
+CC(=CCc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)C	YFE	amorfrutin 1
+[H]/N=C(/CF)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1C(=O)O	YFF	2-{[(2s)-1-amino-5-{[(1z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid
+c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)NC4CCCC4	YFG	7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3h)-one
+CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC	YFP	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol
+CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC)c2cnco2)N	YFS	n-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-d-leucinamide
+CC(C)c1nnc(s1)c2cccc(c2)Nc3c4c(ccn4ncn3)CN5CCC(CC5)N	YFV	5-[(4-aminopiperidin-1-yl)methyl]-n-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
+CC(C)[C@H]1CCCN[C@H]1C(=O)Nc2ccc(c(c2)OC)c3cnco3	YFY	(2r,3r)-n-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide
+Cc1c(n2c(n1)N(c3c(ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C2=O)C)CC[C@H](C(=O)OC)NC(=O)OC	YG	wybutosine
+CC(=O)Nc1ccc2c(c1)OCc3cc(nn3C2)c4ccccc4C#CCCCO	YG1	n-{(11s)-2-[2-(5-hydroxypent-1-yn-1-yl)phenyl]-4h,10h-pyrazolo[5,1-c][1,4]benzoxazepin-7-yl}acetamide
+CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CNc6c5ncnc6N)OC)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@H](O7)N8C=CC(=O)NC8=O)O)O)O)O	YG4	[(2~{r},3~{r},4~{r},5~{r})-5-(6-azanyl-7,8-dihydropurin-9-yl)-2-[[[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-methoxy-oxolan-3-yl] [(2~{r},3~{s},4~{r},5~{s})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N	YG7	5-{4-[4-(5-cyano-1h-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide
+c1ccc(cc1)CCSc2cnn[nH]2	YGG	5-[(2-phenylethyl)sulfanyl]-1h-1,2,3-triazole
+c1ccc(cc1)CCOc2ccc(cc2)O	YGJ	4-(2-phenylethoxy)phenol
+c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N	YGL	2-amino-5,6-diphenyl-3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
+C=CCCc1ccccc1	YGM	(but-3-en-1-yl)benzene
+CC1=CC(=C(C(=O)N1)C)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O	YGP	5'-o-[(r)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine
+CC(=C)Cc1ccccc1	YGS	(2-methylprop-2-en-1-yl)benzene
+CSc1ccccc1Cl	YGV	1-chloro-2-(methylsulfanyl)benzene
+C[C@@H]([C@@H]1C/C=C\C(=O)N[C@H](C(=O)NCC(C(=O)O[C@H](C(=O)O1)CC(C)C)(C)C)Cc2ccc(c(c2)Cl)OC)[C@@H]3[C@H](O3)c4ccccc4	YGY	cryptophycin 52
+[OH2][Y+2]	YH	yttrium ion, 1 water coordinated
+c1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N	YH1	2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6h-purin-6-one
+c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)C#N	YH2	4-{[(2-amino-6-oxo-6,9-dihydro-1h-purin-8-yl)sulfanyl]methyl}benzonitrile
+Cc1cccc(c1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N	YH3	2-amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6h-purin-6-one
+Cc1ccccc1C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N	YH4	2-amino-8-{[2-(2-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6h-purin-6-one
+COc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N	YH5	2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6h-purin-6-one
+Cc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N	YH6	2-amino-8-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6h-purin-6-one
+C1=NC2=C(NC(=S)N=C2N1)N	YH7	6-amino-1,9-dihydro-2h-purine-2-thione
+B([C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@@H]3CCCN3C)(O)O	YHD	n-[(1r)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-l-prolinamide
+CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)OCc3ccccc3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO)C	YHI	benzyl (1r,2s,5s)-2-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
+c1ccc(cc1)COC(=O)N2C[C@@H]3CCCC3[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO	YHJ	benzyl (1s,3ar,6as)-1-({(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1h)-carboxylate
+C1[C@H]([C@H]([C@H]([C@H]1O)O)O)N	YHO	(1s,2s,3r,4r)-4-aminocyclopentane-1,2,3-triol
+CCN1c2c(c(nn2c3ccccc3)CN)[C@@H]([C@@H](C1=O)NC(=O)c4cccc(c4)C(F)(F)F)c5ccc(cc5)F	YHP	n-[(4s,5s)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide
+Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CC[C@@H](C4)N(C)S(=O)(=O)C)F	YHV	4-fluoro-n-[(1r,3s)-3-{(3s)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1h-indole-2-carboxamide
+c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-]	YHX	4-nitroquinoline 1-oxide
+Cc1ccc(c2c1[nH]c(c2)C(=O)Nc3cccc(c3)N4CCC(CC4)N(C)C)F	YHY	n-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1h-indole-2-carboxamide
+COc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl	YI0	4-chloro-6-[5-(4-methoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
+c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2ccc(cc2)CO[NH3+]	YI1	[4-[3-(difluoro-phosphono-methyl)phenyl]phenyl]methoxyazanium
+CCC(CC)(CS[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O	YI2	(1r,2e,3r,5z,7e)-17-{(1s)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol
+CCCC[C@@H]\1CC[C@]2([C@H](/C1=C/C=C3C[C@H](C[C@@H](C3)O)O)CC[C@@H]2[C@H](C)CCCC(C)(C)O)C	YI3	(1r,3r,7e,9beta,17beta)-9-butyl-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CC[C@H](/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)CC=C)C	YI4	(1r,2z,3r,5e,7e,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol
+COc1ccc(cc1OC)c2c(nns2)c3cc(c(cc3O)O)Cl	YI5	4-chloro-6-[5-(3,4-dimethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
+CCOc1ccc(cc1)CC(=O)O	YI6	2-(4-ethoxyphenyl)ethanoic acid
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCCN2C(=O)CCC3CCCC3	YIC	(2s)-2-[[(2s)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
+c1cc(ccc1Cc2[n-]nnn2)Cl	YIE	5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
+c1cc(c(cc1OCc2n[n-]nn2)Cl)Cl	YIH	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene
+c1ccc2c(c1)C3=C([C@@H](N4C(=N3)NC=N4)c5ccc(cc5)Br)[C@H](O2)c6ccc(cc6)Br	YIN	(6r,7s)-6,7-bis(4-bromophenyl)-7,11-dihydro-6h-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O	YIO	1-thio-beta-d-galactopyranose
+c1cc(cc(c1)Cl)OCc2n[n-]nn2	YIP	5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene
+C/C(=N\NC(=N)N)/c1ccc2c(c1)cc([nH]2)C(=O)Nc3ccc4cc[nH]c4c3	YIQ	(e)-5-(1-(2-carbamimidoylhydrazono)ethyl)-n-(1h-indol-6-yl)-1h-indole-2-carboxamide
+[H]/N=C(\N)/N/N=C/1\CCCc2c1ccc(c2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-]	YIR	(e)-n-(5-(2-carbamimidoylhydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)-7-nitro-1h-indole-2-carboxamide
+CC(C)(C)c1cc(n(n1)c2ccc(c(c2)Cl)O)NC(=O)NCc3ccccc3Sc4ccc5nnc(n5c4)c6ccccc6SCCO	YIS	1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1h-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea
+CCC/C(=N\NC(=N)N)/c1ccc(cc1)NC(=O)c2cc3cc(ccc3[nH]2)OC	YIT	n-{4-[(1e)-n-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1h-indole-2-carboxamide
+CCCCNC=O	YIV	n-butylformamide
+CC(C)c1nnc2n1cc(cc2)Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C	YIW	1-(3-tert-butyl-1-phenyl-1h-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea
+CCNC(=O)NCc1ccccc1Sc2ccc3nnc(n3c2)C(C)C	YIX	1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea
+CC(C)(C)C1=C/C(=N\C(=O)Nc2ccc(cc2)Oc3cccnc3)/N(N1)c4cccc(c4)F	YIY	(1e)-1-[5-tert-butyl-2-(3-fluorophenyl)-1h-pyrazol-3-ylidene]-3-(4-pyridin-3-yloxyphenyl)urea
+Cc1cccc2c1[nH]c(c2)C(=O)NC3CCC(CC3)NC(=O)CCN	YJ1	n-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1h-indole-2-carboxamide
+c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)Br)C(=O)NC5(CC5)C=N)Cl	YJ2	(2s,4r)-1-[1-(4-bromophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
+CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4c3ccc(c4)OC	YJ4	4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+Cc1c2c(nc(nc2on1)C)N3CC(=O)Nc4c3ccc(c4)OC	YJ7	4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1h)-one
+c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)I)C(=O)NC5(CC5)C=N)Cl	YJ8	(2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
+c1ccc(c(c1)S(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)C3(CC3)c4ccc(cc4)C(F)(F)F)C(=O)NC5(CC5)C=N)Cl	YJ9	(2s,4r)-4-(2-chlorophenyl)sulfonyl-n-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
+CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO	YJA	2-[5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1h-pyrazol-3-yl]-n-(3-fluorophenyl)ethanamide
+[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)c4ccc(cc4)Cl)S(=O)(=O)c5ccccc5Cl	YJC	(4r)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-n-{1-[(e)-iminomethyl]cyclopropyl}-l-prolinamide
+CC(C)Oc1nc2ccccc2n1c3ccc(cc3)O	YJD	4-(2-propan-2-yloxybenzimidazol-1-yl)phenol
+Cc1ccc(cc1S(=O)(=O)NCCc2ccccn2)NC(=O)CN3C(=O)C(=CC=N3)Cl	YJG	2-(5-chloro-6-oxopyridazin-1(6h)-yl)-n-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide
+Cc1cc(cc(c1O)C#N)c2cn(c3c2C(=O)N(C=N3)C)CC(=O)Nc4cc(ncc4Cl)N5CCOCC5	YJJ	n-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O	YJM	2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranose
+C[C@H]1COCCN1c2cc(c(cn2)Cl)NC(=O)Cn3cc(c4c3N=CN(C4=O)C)c5cc(c(c(c5)Cl)O)C(=O)N	YJS	3-chloro-5-{7-[2-({5-chloro-2-[(3s)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide
+Cc1c(c(no1)c2ccc(cc2O)O)c3ccccc3	YJW	4-(5-methyl-4-phenylisoxazol-3-yl)benzene-1,3-diol
+c1ccc2c(c1)C3=C(CCCN3C2=O)c4[nH]c5cnccc5n4	YJX	1-(3h-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2h)-one
+CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4c(cccc4F)C(F)(F)F)C(=O)N)OC	YK1	4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
+CCN1CCN(CC1)C(=O)c2ccc(nc2)Nc3ncc(c(n3)c4ccc5c(c4)sc(n5)N(C)C)F	YK2	[6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone
+CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4Br)C(=O)N)OC	YK4	4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
+CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4ccccc4)C(=O)N)OC	YK7	4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
+CC(C)CCCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O	YK8	20alpha-hydroxy-20-(5-methylhexyl)cholesterol
+c1ccc2c(c1)-c3c(cccc3C2=O)c4[nH]c5ccncc5n4	YK9	4-(1h-imidazo[4,5-c]pyridin-2-yl)fluoren-9-one
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F	YKA	(1r,2s)-2-((s)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)CCC(=O)N)c4[nH]c5cnccc5n4	YKB	n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl]-succinamide
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccncc4)c5[nH]c6cnccc6n5	YKC	n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl-isonicotinamide
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F	YKD	(1s,2s)-2-((s)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid
+c1cc(c2cccnc2c1)C(=O)NC3=C4C=CC=CC4=C5C3=CC=CC5c6[nH]c7cnccc7n6	YKE	n-[(4r)-4-(3h-imidazo[4,5-c]pyridin-2-yl)-4h-fluoren-9-yl]quinoline-5-carboxamide
+Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O	YKG	[(5-bromo-7-methyl-2-oxo-2h-1-benzopyran-4-yl)methyl]phosphonic acid
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7cnccc7n6	YKI	1-h-pyrrolo[2,3-b]pyridine-4-carboxylic acid [4-(3h-imidazo[4,5-c]pyridin-2-yl)-9h-fluoren-9-yl]-amide
+c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc(c4)N)c5[nH]c6cnccc6n5	YKJ	2-amino-n-[4-(3h-imidazo[4,5-c]pyridin-2-yl)--9h-fluoren-9-yl]-isonicotinamide
+C[C@@H](C1CCC(CC1)(F)F)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YKM	(1r,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+Cc1ccnc(n1)SC(c2nc3ccccc3o2)(F)F	YKN	2-[difluoro-[(4-methyl-pyrimidinyl)-thio]methyl]-benzoxazole
+C[C@@H](C1CCC(CC1)(F)F)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YKP	(1s,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O)CO	YKR	2-amino-4-o-benzyl-2-deoxy-alpha-d-glucopyranose
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O[C@@H](Cc2ccccc2)C3CCC(CC3)(F)F	YKS	(1r,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)O[C@@H](Cc2ccccc2)C3CCC(CC3)(F)F	YKV	(1s,2s)-2-((s)-2-((((s)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2F	YKY	(1r,2s)-2-((s)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid
+c1cc(ccc1c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O)C4CC4	YL2	({[6-(4-cyclopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)
+Cc1ccc(cc1)c2cc3c(ncnc3s2)NCP(=O)(O)O	YL3	({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](c4ccc5c(c4)CCO5)P(=O)(O)O	YL4	[(r)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid
+Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O	YL5	[(1r)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid
+Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O	YL6	[(1r)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2F	YL7	(1s,2s)-2-((s)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((r)-2-oxo-3,4-dihydro-2h-pyrrol-3-yl)propane-1-sulfonic acid
+C#CCOC(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	YLA	 (s)-2-amino-6-(((prop-2-yn-1-yloxy)carbonyl)amino)hexanoic (((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)anhydride
+CCCC(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	YLB	5'-o-({[(2r)-2-amino-6-(butanoylamino)hexanoyl]oxy}phosphinato)adenosine
+C/C=C/C(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	YLC	5'-o-[({(2r)-2-amino-6-[(2e)-but-2-enoylamino]hexanoyl}oxy)phosphinato]adenosine
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)F	YLD	(1r,2s)-2-((s)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+C[C@@H]1c2ccccc2CCN1	YLG	(1r)-1-methyl-1,2,3,4-tetrahydroisoquinoline
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2cccc(c2)F	YLJ	(1s,2s)-2-((s)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O	YLL	(1r,2s,3s,4s,5r,6r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccc(cc2)F	YLM	(1r,2s)-2-((s)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4	YLO	1-[2-(4-methylphenoxy)ethyl]-2-(2-phenoxyethylsulfanyl)benzimidazole
+CCC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	YLP	(s)-2-amino-6-propionamidohexanoic(((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride
+Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCC(=O)O	YLQ	3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]sulfanylpropanoic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCc2ccc(cc2)F	YLS	(1s,2s)-2-((s)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2c(c(c(c(c2F)F)F)F)F	YLV	(1r,2s)-1-hydroxy-2-((s)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl)propane-1-sulfonic acid
+C[C@@H]1CCN[C@@H]1C(=O)NCCCC[C@H](C(=O)O[P@](=O)(O)OC[C@H]2[C@@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N	YLY	(2r)-2-amino-6-({[(2s,3r)-3-methylpyrrolidin-2-yl]carbonyl}amino)hexanoyl [(2s,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (r)-phosphate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2c(c(c(c(c2F)F)F)F)F	YM1	(1s,2s)-1-hydroxy-2-((s)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((r)-2-oxo-2,3-dihydro-1h-pyrrol-3-yl)propane-1-sulfonic acid
+CCO/N=C/c1ccc(cc1)OCC[C@@H](C)CCN2CCN(C2=O)c3ccncc3	YM2	1-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one
+CCOC(=O)c1cnc2c(c1N3CCO[C@H](C3)CN)cn[nH]2	YM3	ethyl 4-(2-(aminomethyl)morpholino)-1h-pyrazolo[3,4-b]pyridine-5-carboxylate
+Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5ccc(cc5)N6CCN(CC6)C)Br	YM4	6-bromo-7-{4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl}-2-[4-(4-methylpiperazin-1-yl)phenyl]-1h-imidazo[4,5-b]pyridine
+c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCO[C@H](C4)CN)CO	YM5	(3-{4-[(2s)-2-(aminomethyl)morpholin-4-yl]-7h-pyrrolo[2,3-d]pyrimidin-5-yl}phenyl)methanol
+c1cncc2c1c3c([nH]2)ncnc3[N@]4CCO[C@@H](C4)CN	YM6	1-[(2r)-4-(9h-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
+c1c(ncnc1Nc2cnc(cn2)C#N)NCC3CCNCC3	YM7	5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile
+C[C@H](CN(C)C)Oc1c(ncc(n1)Nc2cc3cccc(c3cn2)Cl)C#N	YM8	(r)-5-(8-chloroisoquinolin-3-ylamino)-3-(1-(dimethylamino)propan-2-yloxy)pyrazine-2-carbonitrile
+C(CS)NC(=O)CN(CCN(CCN(CC(=O)NCCS)CC(=O)O)CC(=O)O)CC(=O)O	YMA	7,10,13-tri(carboxymethyl)-5,15-dioxo-4,7,10,13,16-pentaaza-1,19-dithianonadecane
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)(C)C	YMD	(1r,2s)-2-((s)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)(C)C	YMG	(1s,2s)-2-((s)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YMJ	(1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+C[C@H](C[C@H](C)[C@@H]([C@@H](C)C(=O)C[P@H](=O)O)O)CO	YML	[(3r,4s,5s,7r)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctyl]phosphonic acid
+CCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YMM	(1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1cc(ccc1C[C@@H](C(=O)N[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O	YMP	o-(adenosine-5'-o-yl)-n-(l-tyrosyl)phosphoramidate
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)c3ccccc3	YMS	(1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1r,4s)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CCC(CC2)c3ccccc3	YMV	(1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1r,4s)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F	YMX	entrectinib
+CCCC1CCC(CC1)COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YMY	(1r,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@H]([C@@H]3CCCCN3)O	YMZ	mefloquine
+CCCC1CCC(CC1)COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O	YN1	(1s,2s)-1-hydroxy-2-((s)-4-methyl-2-(((((1s,4s)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((s)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
+CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OCc3ccc(nc3)N4CCNCC4	YN4	ethyl 4-[(2-cyanoethyl)sulfanyl]-6-{[6-(piperazin-1-yl)
+C[C@H]1CN(CCN1c2cc(c(c(n2)F)Cl)NC(=O)Cn3cc(c4c3N=C5CCCN5C4=O)c6cc(c(c(c6F)F)O)C(=O)N)C	YN7	5-{(5s)-1-[2-({3-chloro-6-[(2s)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1h-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide
+CN1C=Nc2c(c(cn2CC(=O)Nc3ccncc3Cl)c4ccc(c(c4)C#N)O)C1=O	YNA	n-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
+CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O	YNC	tetradec-13-ynoic acid - coa thioester
+CN1C=Nc2c(ccn2CC(=O)Nc3ccncc3Cl)C1=O	YND	n-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
+Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5	YNE	2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole
+Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3Cn4cnc(c-5ncnc45)N)C(=O)c6cc7c8c(c(c(c7[nH]6)OC)O)N(CC8)C(=O)c9cc1c2c(c(c(c1[nH]9)OC)O)N(CC2)C(=O)N	YNG	7-{7-[(1r)-1-{[(4p)-6-amino-3h-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2h)-carboxamide
+CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCCCCC(=O)O)C3CCCC3	YNJ	7-{[(2s)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1h-inden-5-yl]oxy}heptanoic acid
+CN[C@@H](Cc1ccc(cc1)O)C(=O)O	YNM	n-methyl-l-tyrosine
+C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)c3ccccc3)Cc4ccc(c(c4)Cl)OC	YNP	cryptophycin 1
+[H]/N=C(\N)/N1CCC(CC1)n2c(c(nn2)C)c3cccc(n3)Nc4cc(cc(c4)C)C	YNS	4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidine-1-carboximidamide
+C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC	YNU	eplerenone
+C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=CC(=O)CC[C@]34C)C/C=C\C[C@@H]5CC6=CC(=O)CC[C@@]6([C@@H]7[C@@H]5[C@@H]8CC[C@@H]([C@]8(CC7)C)O)C	YNV	17alpha-hydroxy-7alpha-[(2z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one
+COc1cc2cc([nH]c2c(c1OC)OC)C(=O)N3C[C@H](c4c3cc(c5c4cc([nH]5)C(=O)OC)O)Cn6cnc(c-7ncnc67)N	YNY	methyl (8r)-8-{[(4p)-6-amino-3h-purin-3-yl]methyl}-4-hydroxy-6-(5,6,7-trimethoxy-1h-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
+c1c(ccc(c1)S(=O)(=O)Nc2sccn2)/N=N/c3c(cc(c(c3)/N=N/c4ccc(cc4)S(=O)(=O)Nc5sccn5)N)N	YO1	4-(2-{2,4-diamino-5-[2-(4-{[(2e)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-n-[(2s)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide
+C[n+]1c2ccccc2oc1/C=C/C=C/3\C=CN(c4c3cccc4)C	YO3	yo3-biotin
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CP(=O)(O)O)O)O)O)O	YO5	(1r)-1,5-anhydro-1-(phosphonomethyl)-d-glucitol
+c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O)O)O)O)N=C(NC2=O)N	YO7	[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2r,3s,4r,5r,6s)-6-[(1r)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl dihydrogen diphosphate (non-preferred name)
+CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](CS)N)O	YOA	5'-{[(2r,3s)-3-amino-2-({2-[(n-{(2r)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine
+CSC[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5	YOD	(1r,3s,5s,7s)-n-[(1r,4r)-4-aminocyclohexyl]-3-[(methylsulfanyl)methyl]-5-phenyladamantane-1-carboxamide
+c1cc(c(cc1C[C@@H](C(=O)O)N)F)O	YOF	3-fluorotyrosine
+CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO	YOG	1,3-dihydroxypropan-2-yl (9z)-octadec-9-enoate
+c1cc(ccc1c2cc(ccc2F)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N)Oc7c(nn[nH]7)C(=O)O	YOJ	5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1h-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1h-1,2,3-triazole-4-carboxylic acid
+c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@]35O2)CCC(=O)O	YOK	[[2,2'-[4-carboxyethyl-1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron
+c1ccc2c(c1)C=[N+]3c4ccc(cc4[N+]5=Cc6ccccc6O[Fe@@]35O2)C(=O)O	YOL	[[2,2'-[4-carboxy-1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron
+c1ccc2c(c1)C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe]35O2	YOM	2,2'-[1,2-phenylenebis(nitrilomethylidyne)]bis[phenolato]](2-)-n,n',o,o']-iron
+C1=CNC(=O)C(=C1)C[C@@H](CO)N	YOP	3-[(2s)-2-amino-3-hydroxypropyl]pyridin-2(5h)-one
+COc1ccc(cc1c2ccnc3c2cc([nH]3)C4=CCN(CC4)C5CCC(CC5)CC(=O)O)F	YOS	[(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2h)-yl}cyclohexyl]acetic acid
+CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CCN(C)C)Cl	YOV	4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2h)-one
+CCCCCCCCCCCC[C@H]1O[C@H]2[C@@H]([C@@H](O[C@H]2O1)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O	YOY	[[(2s,3as,5s,6r,6as)-2-dodecyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+CC(C)(Cc1ccc2ccccc2c1)NC[C@H](COc3cccc(c3C#N)Cl)O	YP1	2-chloro-6-[(2r)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile
+C[C@H](c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F	YP4	n-[(1r)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
+c1ccnc(c1)c2csc(n2)NC(=O)COc3cccc(c3)F	YP6	2-(3-fluoranylphenoxy)-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide
+CCO[C@@H](Cc1ccc(cc1)OCCn2c3ccccc3c4c2cccc4)C(=O)O	YPA	(s)-3-(4-(2-carbazol-9-yl-ethoxy)-phenyl)-2-ethoxy-propionic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@H](C(=O)O)NC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC	YPC	s-[(2s)-3-(hexadecanoyloxy)-2-(tridecanoyloxy)propyl]-n-pentadecanoyl-d-cysteine
+c1cc2ccc(c3c2c4c1ccc(c4cc3)C#CCCO)C#CCCOP(=O)(O)O	YPE	4-[8-(4-hydroxybut-1-yn-1-yl)pyren-1-yl]but-3-yn-1-yl dihydrogen phosphate
+c1cc2ccc(cc2c3c1ccc(c3)C#CCCO)C#CCCOP(=O)(O)O	YPF	4-[6-(4-oxidanylbut-1-ynyl)phenanthren-3-yl]but-3-ynyl dihydrogen phosphate
+c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N	YPG	[3-[(3~{r},4~{r})-3-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-4-[(2~{s})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid
+c1ccc(cc1)NC(=O)Nc2ccc(cc2)CCNc3c4cc(oc4ncn3)c5ccc(cc5)OCCN6CCC(CC6)O	YPH	1-(4-{2-[(6-{4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea
+c1ccc(cc1)[C@]23CC4C[C@](C2)(CC(C4)(C3)C(=O)NC5CCC(CC5)N)c6ccccc6	YPM	(1s,3r,5s,7s)-n-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide
+c1cc(ncc1Cl)SCCO	YPN	2-[(5-chloro-2-pyridyl)sulfanyl]ethanol
+CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O	YPP	hydrolyzed piperacillin
+COc1ccc2c(c1)nc(cc2O[C@@H]3C[C@H](NC3)C(=O)O)c4ccccc4	YPR	(4r)-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-proline
+CCOC[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5	YPS	(1r,3s,5r,7r)-n-[(1r,4r)-4-aminocyclohexyl]-3-(ethoxymethyl)-5-phenyladamantane-1-carboxamide
+N[Pt+2](N)([I-])[I-]	YPT	cis-diamino(diiodo)platinum
+C[C@H](c1cc(ccc1C(=O)NC)F)Oc2c(ncc(n2)c3cccnc3OC)N	YPW	2-[(1r)-1-{[3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl]oxy}ethyl]-4-fluoro-n-methylbenzamide
+c1ccc(cc1)N/N=C\2/C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N	YPZ	3-[(3z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-l-alanine
+Cc1cnccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C	YQ7	(4r,10ap)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6h)-one
+C1[C@H](C=NC(=C1C(=O)O)C(=O)O)O	YQA	5-hydroxy,-4,5-dihydroquinolinate
+Cc1cc(ccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C)NS(=O)(=O)C	YQD	n-{4-[(4s,10ap)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide
+Cc1cc(ccc1c2cc-3c(cc2Cl)NC(=O)n4c3nc(n4)C)NS(=O)(=O)c5[nH]ccn5	YQG	n-{4-[(4s,10ap)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1h-imidazole-2-sulfonamide
+CN(C)CCCNc1nc2cc(c(cc2c(n1)N3CCC(C3)N(C)C)OC)OC	YQJ	n~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-n~1~,n~1~-dimethylpropane-1,3-diamine
+CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(c(c4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)CN5CCCC5)F	YQM	eravacycline
+C=S(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O	YQP	(2~{s})-2-azanyl-4-[[(2~{s},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{3}-sulfanyl]butanoic acid
+CCC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c3ccc(cc3)N4CC(C4)(CN5CCC(CC5)[C@@](CN6CCC6)(c7cccc(c7)F)[C@H]8CCC[C@@H]8NC(=O)OC)OC	YQV	methyl {(1s,2r)-2-[(1s)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1s,4s)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate
+c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)(CN)O	YQY	[3-(aminomethyl)-3-oxidanyl-azetidin-1-yl]-[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]methanone
+CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cc4)c5csc6c5OC(=CC6=O)N7CCOCC7	YR0	7-cyclopentyl-n,n-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7h-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7h-pyrrolo[2,3-d]pyrimidine-6-carboxamide
+c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3ccc(cc3)[N+](=O)[O-])c4ccc(c(c4)C(=O)O)O)O	YR1	2-hydroxy-5-[(5s)-3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1h-pyrrol-1-yl]benzoic acid
+CCC(CC)(c1ccc(c(c1)C)OC[C@H](CO)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O	YR3	(2s)-3-{4-[1-ethyl-1-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol
+CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)O[C@H](CCO)CO	YR4	(2r)-2-{4-[3-(4-{[(2r)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}butane-1,4-diol
+CCCCNc1ncc(c(n1)NC2CCC(CC2)O)C(=O)NC3CCN(CC3)CCCF	YR7	2-(butylamino)-n-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide
+c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N	YRA	3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide
+c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)Cl	YRG	(2s)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
+c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-]	YRJ	3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)pyridin-1-ium
+c1cc(ccc1CCO)O	YRL	4-(2-hydroxyethyl)phenol
+CC1(CN(CC[C@@]12C(=O)NC(=O)N2)c3cc(cc4n3cnc4)C(F)(F)F)C	YRM	(5s)-6,6-dimethyl-8-[(4s)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
+CC(C)(C)CCC1=C(NC(=O)NC1=O)C(=O)O	YRO	5-(3,3-dimethylbutyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+C[C@H](C1[C@H]2[C@@H]1CC(C2)n3cnc4c3cc(c(c4)F)F)C(=O)Nc5ccc(cc5)Cl	YRP	(2r)-n-(4-chlorophenyl)-2-[(1r,3s,5s,6r)-3-(5,6-difluoro-1h-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide
+C1CN[C@@H]([C@H]1O)COP(=O)(O)O	YRR	3-hydroxy-pyrrolidin-2-ylmethyl-monophosphate group
+c1cnn2c1nc(c3c2NCC3)N[C@H]4CCCNC4	YRZ	n-[(3s)-piperidin-3-yl]-7,8-dihydro-6h-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine
+c1cc(ccc1c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O)OC3CC3	YS1	[({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)
+C[C@H](CCCO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YS2	(1r,3r,7e,17beta)-17-[(2r)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+C[C@H](CCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YS3	(1r,3r,7e,17beta)-17-[(2r)-5-hydroxy-5-methylhexan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CC(C)Oc1ccc(cc1)c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O	YS4	[({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)
+CCCC[C@@H](CC(CC)(CC)O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YS5	(1r,3r,7e,17beta)-17-[(2r,3s)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+c1cnccc1NC(=S)N	YS6	1-pyridin-4-ylthiourea
+Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H]([C@H]([C@@](CO4)(C)O)NC)O)N)N)N)O	YS7	(1r,2s,3s,4r,6s)-4,6-diamino-3-{[3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-d-erythro-hexopyranoside
+CCCC[C@@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YS9	(1r,3r,7e,17beta)-17-[(2r,3s)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O	YSA	5'-o-[n-(l-tyrosyl)sulfamoyl]adenosine
+c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N)O	YSC	[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
+CCC(CC)(CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C)O	YSD	(1r,3r,7e,17beta)-17-[(2r)-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+CC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YSE	(1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-ethyl-5-oxidanyl-pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O	YSG	5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2h-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1h,3h)-dione
+CC(C)(C)COc1ccc(cc1C#N)n2cc(cn2)C(=O)O	YSH	1-[3-cyano-4-(neopentyloxy)phenyl]-1h-pyrazole-4-carboxylic acid
+c1ccc(c(c1)COc2cc(cc(c2F)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O)Cl	YSJ	5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+CCCCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YSL	(1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,3s)-3-(2-hydroxyethyl)nonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
+c1cc(cc(c1)F)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	YSM	5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+c1cc(c2c(c1)[nH]nc2N)C#N	YSO	3-amino-1h-indazole-4-carbonitrile
+Cc1ccccc1COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	YSP	5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+CCCCC[C@](C)(/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O)O	YSS	15r-methyl-prostaglandin d2
+c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O	YSU	[(2~{r},3~{s},4~{r},5~{r})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{n}-[(2~{s})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
+C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)C	YSV	(1r,3r)-5-(2-((1r,3as,7ar,e)-1-((r)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4h-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol
+c1cc(c(cc1C#N)F)[C@H]2CCc3n2cnc3	YSY	4-[(4r,5r)-6,7-dihydro-5h-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile
+COc1cccc2c1CCC[C@@H]2CCCN3CCN(CC3)C4CCCCC4	YT1	pb28
+[Y+3]	YT3	yttrium (iii) ion
+COC(=O)[C@H](CS)NC(=O)OCc1ccccc1	YT4	methyl (2r)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate
+C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@@H](C(C)C)C(=O)[C@H]1[C@@H](C(=O)NC1=O)C)c2ccccc2	YT5	moiramide b
+c1ccc2c(c1)CN(C2=O)CC3CCN(CC3)CC(=O)c4ccc(cc4)F	YT7	roluperidone
+COc1cc2c(cc1O)cc([nH]2)C(=O)N3C[C@H](c4c3cc(c5c4cc([nH]5)C(=O)N6CCc7c6c(c(c8c7cc([nH]8)C(=O)SC)OC)O)O)Cn9cnc(c-1ncnc91)N	YTA	yatakemycin-adenine nucleobase adduct
+C1([C@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)N	YTB	(1r,2r,3s,4r,5r)-5-aminocyclopentane-1,2,3,4-tetrol
+COc1cc(cc(c1OC)OC)C[C@H]2[C@@H](COC2=O)Cc3ccc4c(c3)OCO4	YTC	(3~{s},4~{s})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
+CC(C)([C@H](c1ccccc1)O)NCc2ccc3c(c2)CCC(=O)N3C	YTD	6-({[(1s)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1h)-one
+CN(c1ccc(cc1)Cl)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc3c[nH]c4c3cc(cc4)O	YTG	n-(4-chlorophenyl)-nalpha-[(5-hydroxy-1h-indol-3-yl)acetyl]-n-methyl-l-phenylalaninamide
+C[C@@H]([C@@H](C(=O)O)N)OP(=O)(O)O	YTH	o-phosphono-l-allothreonine
+COCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N	YTJ	2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}benzonitrile
+c1ccc(cc1)CCOc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O	YTM	5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione
+COc1cc(cc(c1OC)OC)C[C@@H]2[C@H](COC2=O)Cc3ccc4c(c3)OCO4	YTN	(3~{r},4~{r})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
+Cc1cc(ccc1O)C(=O)C	YTP	1-(4-hydroxy-3-methylphenyl)ethanone
+CC1=CC(=O)N(c2c1ccc(c2OC)OC)C	YTR	7,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one
+c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCN4CCNC(=O)C4)C5=CNC(=O)NC5=O	YTS	5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2h-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1h,3h)-dione
+c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O	YTT	(3s,6s)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
+CC(C)(CCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)C4=CNC(=O)NC4=O)O	YTV	5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione
+C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)N2)O)O)O)O	YTW	(3~{a}~{r},4~{s},5~{s},6~{s},7~{r},7~{a}~{s})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{h}-benzo[d][1,2,3]oxathiazole-4,5,6-triol
+COc1cc(ccc1O)CC(=O)O	YTX	2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid
+CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O	YTY	diethyl [(4-{(2s,3r)-4-[(2-ethylbutyl){4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
+c1cc(ccc1N)S(=O)(=O)Nc2nccs2	YTZ	4-amino-n-(1,3-thiazol-2-yl)benzenesulfonamide
+c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCC(F)(F)F)C4=CNC(=O)NC4=O	YU4	5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2h-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1h,3h)-dione
+c1ccc(cc1)c2cn(cc2C(=O)NO)Cc3ccccc3Cl	YU7	1-[(2-chlorophenyl)methyl]-n-hydroxy-4-phenyl-1h-pyrrole-3-carboxamide
+c1cc(c(cc1Br)Br)Oc2ccc(c(c2Br)O)Br	YUG	2,6-dibromo-3-(2,4-dibromophenoxy)phenol
+CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(c4ccccc4n3)Oc5cccc(c5)Cl	YUI	1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione
+c1ccc(cc1)c2cn(cn2)c3cccc4c3ccnc4c5ccc(c(c5)NC6CCC(CC6)O)C(=O)N	YUK	2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1h-imidazol-1-yl)isoquinolin-1-yl]benzamide
+Cc1nc(cs1)COc2ccc(cc2)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c3ccc(cc3)[C@H](C)O)O)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5	YUM	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(2s,3r)-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate
+CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br	YUN	n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide
+C[C@@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O	YUP	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate
+COc1ccc(cc1OC)/C=N/NC(=O)Cc2cccc3c2cccc3	YUS	n'-[(e)-(3,4-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)acetohydrazide
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1	YUV	(25r)-14beta,17beta-spirost-5-en-3beta-ol
+C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCC[C@H](CO)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1	YUY	(2r)-2-(hydroxymethyl)-4-{[(25r)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+c1cc2c(cc1C(=O)N3C[C@H]4CCN(CC[C@H]4C3)C(=O)OCc5cc(cc(c5)Cl)Cl)nn[nH]2	YV1	(3,5-dichlorophenyl)methyl (3ar,8as)-2-(1h-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1h)-carboxylate
+C1CNC(=O)[C@H]1N	YV4	(3s)-3-aminopyrrolidin-2-one
+CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O	YVN	n-({(1r,2r,3s)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-l-valyl-l-aspartamide
+c1ccc2c(c1)c(c[nH]2)c3cnc4n3cc(nc4)c5c[nH]nc5	YVQ	3-(1h-indol-3-yl)-6-(1h-pyrazol-4-yl)imidazo[1,2-a]pyrazine
+C[C@H]1CCC(=O)O1	YVR	gamma-valerolactone
+c1cc(ccc1COC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F	YVS	[4-(trifluoromethoxy)phenyl]methyl (3ar,6as)-5-(1h-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1h)-carboxylate
+Cc1c(c(on1)C)c2cc3c4ccc(cc4n(c3c(c2)C(=O)N)CC5CC5)C(=O)N6C[C@H](O[C@H](C6)C)C	YW1	9-(cyclopropylmethyl)-7-[(2r,6s)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9h-carbazole-1-carboxamide
+C[C@]12CCC/C(=C\C=C3C[C@H](C(=C)[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2C#CC#C[C@H](C45CC6CC(C4)CC(C6)C5)O	YW2	(1r,3r,7e,17beta)-17-{(5s)-5-hydroxy-5-[(3r,5r,7r)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
+Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)Cc5ccccc5)C(C)(C)O)C(=O)N	YW4	9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9h-carbazole-4-carboxamide
+Cc1c(c(on1)C)c2cc(c3c4ccc(cc4n(c3c2)[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)C(=O)N	YW7	2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(s)-(oxan-4-yl)(phenyl)methyl]-9h-carbazole-4-carboxamide
+Cc1c(n(nn1)C)c2cc3c(c4ccc(cc4n3[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)nc2	YWA	2-{3-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-5-[(s)-(oxan-4-yl)(phenyl)methyl]-5h-pyrido[3,2-b]indol-7-yl}propan-2-ol
+CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C)NC(=O)c2cc3c([nH]2)cccc3OC	YWJ	4-methoxy-n-[(2s)-4-methyl-1-oxo-1-({(2s)-3-oxo-1-[(3s)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1h-indole-2-carboxamide
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc(cc2)[C@H](C)O)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC	YWM	diethyl [(4-{(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate
+CCCCCN1[C@@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC	YWN	2-[(2r,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-n-methyl-ethanamide
+Cc1ccc(c(c1)Oc2ccc(cc2)C[C@H](C(=O)N)N)[N+](=O)[O-]	YWO	o-(5-methyl-2-nitrophenyl)-d-tyrosinamide
+CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)c2ccc(cc2)[C@@H](C)O)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC	YWP	diethyl [(4-{(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1r)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate
+CC[C@H](C)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O	YWS	diethyl ({4-[(2s,3r)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1s)-1-hydroxyethyl]benzene-1-sulfonyl}[(2s)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
+Cc1c(n(nn1)C)c2cc3c(cc2F)c4c(n3[C@H](c5ccccc5)C6CCOCC6)cc(cn4)C(C)(C)O	YWY	2-{(7p)-7-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-8-fluoro-5-[(s)-(oxan-4-yl)(phenyl)methyl]-5h-pyrido[3,2-b]indol-3-yl}propan-2-ol
+C#CCOCCOCCOCCOCCOc1ccc(cc1)c2ccc(cc2)OS(=O)(=O)F	YWZ	4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCC2=C/C(=C(/C)\O)/NO2)O)O)O	YX0	[(3e)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-l-fucopyranoside
+CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)NO	YX1	2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-d-glucopyranose
+Cc1c(n(nn1)C)c2cc3c(c4ccc(c(c4n3[C@H](c5c(cccn5)F)C6CCOCC6)F)C(C)(C)O)nc2	YX4	2-{3-(1,4-dimethyl-1h-1,2,3-triazol-5-yl)-6-fluoro-5-[(s)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5h-pyrido[3,2-b]indol-7-yl}propan-2-ol
+Cc1c(cc(o1)Cn2ccc3c2cc(cc3)Br)C(=O)O	YXA	5-[(6-bromo-1h-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid
+CC(C)([C@H]1CCN(C1)c2cc(c(nc2)C(F)(F)F)NC(=O)c3cccc(n3)c4cnn(c4)C)O	YXD	n-{5-[(3s)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1h-pyrazol-4-yl)pyridine-2-carboxamide
+C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3c(cnn3C(F)F)NC1=O)N4C=NC(=CC4=O)c5cc(ccc5n6cc(nn6)Cl)Cl	YXG	milvexian
+c1ccc(cc1)P(CCCCC(=O)N[C@H](CO)[C@@H](c2ccc(cc2)[N+](=O)[O-])O)(c3ccccc3)c4ccccc4	YXM	n-[(1r,2r)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide
+COc1ccc(cc1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)O	YXP	{(5z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid
+C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	YXR	(2r)-sulfonatepropionyl-coa
+C[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	YXS	(2s)-sulfonatepropionyl-coa
+C1CC(=O)N(C1=O)CCCCCN2C3=[N](C=CC=C3)[Ru]([N]4=CC=CC=C42)Cl	YXX	chloro(1-{5-[di(pyridin-2-yl-kappan)amino]pentyl}pyrrolidine-2,5-dione)ruthenium
+C1=CC=[N]2C(=C1)N(C3=[N]([Ru]2Cl)C=CC=C3)CCCCCN	YXZ	chloro[n,n-di(pyridin-2-yl-kappan)pentane-1,5-diamine]ruthenium
+Cc1[nH]c(nn1)S	YY1	5-methyl-4h-1,2,4-triazole-3-thiol
+CC(C)(C)NC(=O)COc1c(cc(cc1Cl)CN)OC	YY2	2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-n-tert-butylacetamide
+Cn1cc(c2c1cccc2)c3ccnc(n3)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C	YY3	n-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1h-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
+CN(C)C/C=C/C(=O)N1CC[C@@H](C1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl	YY4	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CC(C)Nc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)[C@H]4CCN(C4)C(=O)/C=C/CN(C)C	YY5	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CN(C)C/C=C/C(=O)N1CC[C@@H](C1)N2c3c(cnc(n3)NC4CCCCC4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl	YY6	7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CNc1ncc2c(n1)N(C(=O)N(C2)c3c(c(cc(c3Cl)OC)OC)Cl)[C@H]4CCN(C4)C(=O)/C=C/CN(C)C	YY7	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3s)-1-[(2e)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+CN(C)C/C=C/C(=O)N1CCC(CC1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl	YY9	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
+C[C@H](C/C=C\C=C)[C@H]([C@@H](C(=O)O)NC)O	YYA	2,4,5-trideoxy-2-(methylamino)-4-[(2z)-penta-2,4-dien-1-yl]-l-xylonic acid
+CO[C@@H]1[C@H](CO[C@@H]([C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O	YYB	1,5-anhydro-3-o-methyl-2,6-di-o-sulfo-d-glucitol
+Cc1c(n2c(n1)N(c3c(ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C2=O)C)CC[C@@H](C(=O)OC)NC(=O)OC	YYG	4-(3-[5-o-phosphonoribofuranosyl]-4,6-dimethyl-8-oxo-4,8-dihydro-3h-1,3,4,5,7a-pentaaza-s-indacen-ylamino-butyric acid methyl ester
+C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O	YYH	7-deoxy-l-glycero-alpha-d-manno-heptopyranose
+C([C@@H]1[C@H]([C@@H]([C@](O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	YYJ	1,3,4,6-tetra-o-sulfo-beta-d-fructofuranose
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O	YYK	beta-d-quinovopyranose
+C1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O	YYM	alpha-d-ribopyranose
+CC(=O)N[C@H]1[C@@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O	YYQ	2-acetamido-2-deoxy-alpha-l-galactopyranose
+CC(=O)N[C@@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO	YYR	2-(acetylamino)-1,5-anhydro-2-deoxy-d-mannitol
+C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O)O	YYY	deoxycytidine diphosphate
+c1c(cc(c(c1Cl)O)Cl)/C=C/C(=O)O	YYZ	(2e)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid
+CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	YZ0	methyl beta-d-mannopyranoside
+CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC[C@H](c1ccccc1)c2ccco2)OC)O)O)O	YZ6	(e,2r,3r,4s,5r)-n-[(3r)-3-(furan-2-yl)-3-phenyl-propyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide
+CCOC(=O)C1=Cc2ccc(cc2OC1=O)O	YZ9	7-hydroxy-2-oxo-chromene-3-carboxylic acid ethyl ester
+C=CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O	YZE	n~2~-{[(1s)-1-carboxybut-3-en-1-yl]carbamoyl}-n~6~-[(4-iodophenyl)carbonyl]-l-lysine
+c1ccc(cc1)C(=O)NC(=O)N	YZM	n-carbamoylbenzamide
+C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O	YZS	(2s)-sulfonatepropionyl-amino(dethia)-coa
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)S(=O)(=O)O	YZT	6-deoxy-6-sulfo-beta-d-glucopyranose
+CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC	YZY	(2s)-2-(hexadecanoyloxy)-3-hydroxypropyl (9z)-octadec-9-enoate
+C1[C@@H]([C@H](O[C@H]1N2C=CC=NC2=O)COP(=O)(O)O)O	Z	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)pyrimidin-2(1h)-one
+CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNc3c(cc(cn3)C(F)(F)F)Cl	Z00	4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-n-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
+CC(C)(C)C(=O)NC[C@@H](C(=O)O)N	Z01	3-[(2,2-dimethylpropanoyl)amino]-l-alanine
+c1ccnc(c1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]	Z02	5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide
+c1c(c(cc(c1[N+](=O)[O-])N2CCOCC2)NCc3cnc(nc3)N)C(=O)N	Z04	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide
+[B-](c1cc(cc(c1)NC(=O)C)C(=O)O)(O)(O)O	Z06	(3-acetamido-5-carboxy-phenyl)-trihydroxy-boron
+c1cc(c2c(c1)sc(n2)N)C(F)(F)F	Z07	4-(trifluoromethyl)-1,3-benzothiazol-2-amine
+CC(=O)CC[C@H](C[C@@H]1CCNC1=O)N	Z0A	(3s)-3-[(2r)-2-amino-5-oxohexyl]pyrrolidin-2-one
+c1cncc2c1cnc3c2ccs3	Z0B	thieno[2,3-c][2,6]naphthyridine
+C([C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	Z0F	alpha-l-idopyranose
+c1ccc(cc1)CCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)NC(=O)CCS	Z0M	n-[(5r,6r,7r,8s)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide
+CC(C)(C)NC(=O)Nc1ccc2c(c1)nccn2	Z0O	1-(tert-butyl)-3-(quinoxalin-6-yl)urea
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC	Z0P	(2s)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11z)-octadec-11-enoate
+c1ccc2c(c1)c3c([nH]2)cncn3	Z0W	5h-pyrimido[5,4-b]indole
+[B-]([C@@H](C)NC(=O)c1c(cccc1F)c2ccccc2)(O)(O)O	Z10	[(1s)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron
+c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4ccc(cc4Cl)Cl)Cl	Z12	2,4-dichloro-n-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide
+c1cc(ccc1CN=Cc2ccc(cc2)C(F)(F)F)C(F)(F)F	Z13	(e)-n-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
+c1c(c(cc(c1[N+](=O)[O-])N2CCC(CC2)N)NCc3cnc(nc3)N)C(=O)N	Z14	4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide
+c1c(c(cc(c1O)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	Z15	(1s)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-d-glucitol
+c1c(cc(c(c1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)Cl)O	Z16	(1s)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-d-glucitol
+C[C@H](CC(=O)O)C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C	Z17	(3r)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid
+CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CN(C)C)C)C)C	Z18	(3r,4s,5s,7r,9e,11r,12r)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl n,n-dimethylglycinate
+c1ccc2c(c1)c(n[nH]2)C(=O)NN	Z19	1h-indazole-3-carbohydrazide
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NS(=O)(=O)C2CC2)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)OC(C)(C)C	Z1B	n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-n-{(2s)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-l-prolinamide
+CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C(F)F)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C	Z1E	n-(tert-butoxycarbonyl)-3-methyl-l-valyl-(4r)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-n-[(1r,2r)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-l-prolinamide
+c1ccc(c(c1)/N=C\2/NC(=O)/C(=C/c3ccc(c(c3)[N+](=O)[O-])O)/S2)Cl	Z20	(2z,5z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one
+CCn1c2cc(ncc2nc1c3c(non3)N)Br	Z21	4-(6-bromo-1-ethyl-1h-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
+CSS(=O)(=O)C	Z22	s-methyl methanesulfonothioate
+Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C(=[NH2+])N)F	Z23	di[benzamidin-3-yloxy]-3,5-difluoro-4-methyl-pyridine
+c1cc(c(cc1F)F)N2C[C@@H](C[C@H]2O)C(=O)O	Z24	(3~{r},5~{r})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid
+C(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N	Z25	3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
+COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl	Z26	2-(5-chloro-2-methoxyphenyl)-n-(isoquinolin-4-yl)acetamide
+c1cc(c(cc1C(F)(F)F)Cl)S(=O)(=O)Nc2ccc(c(c2)Cl)Sc3nc4cc(ccc4s3)Cl	Z27	2-chloro-n-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide
+C([C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O	Z2D	alpha-l-allopyranose
+c1cc(oc1)c2ccnc3c2c(n[nH]3)C4CC4	Z2M	3-cyclopropyl-4-(furan-2-yl)-1h-pyrazolo[3,4-b]pyridine
+COc1cc(c(c(c1)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	Z2T	(1s)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-d-glucitol
+C[C@H]1C[C@@](C[C@H](C1=O)[C@@H](CC2CC(=O)NC(=O)C2)O)(C)NC(=O)c3ccccc3	Z2V	n-[(1r,3s,4r,5s)-3-{(1r)-2-[(2r,4r,6s)-2,6-dihydroxypiperidin-4-yl]-1-hydroxyethyl}-4-hydroxy-1,5-dimethylcyclohexyl]benzamide
+CC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1	Z30	(5r)-5-tert-butyl-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide
+C=CCNc1nc(c(s1)C(=O)c2ccc3ccccc3c2)N	Z31	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone
+[H]/N=C(\c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)C4=NCCN4C)F)N(C)CC(=O)O)F)O)/N	Z34	n-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-3,5-difluoro-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy]pyridin-4-yl]-n-methylglycine
+C[C@H]([C@@H](CO)Nc1c2cc(cn2ncc1C(=O)N)c3ccccc3)O	Z3A	4-{[(2r,3r)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
+C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	Z3D	(1r,2r,3s,4s,6r)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-d-glucopyranoside
+C[C@H]([C@@H](C(=O)O)N)OCc1ccccc1	Z3E	o-benzyl-l-threonine
+CNC(=O)c1c2c(ccc(c2CN3CCC4(C3)COC4)O)oc1c5ccc(cc5)O	Z3J	5-hydroxy-2-(4-hydroxyphenyl)-n-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide
+CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)OC(=O)C)OC(=O)C)O	Z3K	(1s)-2,3,6-tri-o-acetyl-1,5-anhydro-1-sulfamoyl-d-glucitol
+CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OC(=O)C)OC(=O)C)OC(=O)C	Z3L	2,3,4,6-tetra-o-acetyl-beta-d-galactopyranose
+C(CP(=O)(CCC(=O)O)CCC(=O)O)C(=O)O	Z3P	3,3',3''-phosphoryltripropanoic acid
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN=[N+]=[N-])CO)O)O	Z3Q	2-azidoethyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
+c1ccc2c(c1)nc(s2)c3cc(sc3)S(=O)(=O)N	Z3R	4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
+C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)O	Z3U	beta-d-digitoxopyranose
+CCNCCS	Z3V	2-(ethylamino)ethane-1-thiol
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC	Z41	(2s)-3-hydroxypropane-1,2-diyl dihexadecanoate
+CCC[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1	Z46	(5r)-5-propyl-4,5,6,7-tetrahydro-1h-indazole-3-carbohydrazide
+c1ccc2c(c1)cccc2CCC[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	Z47	(2r,3s,4r,5s,6r)-2-(hydroxymethyl)-6-[3-(naphthalen-1-yl)propyl]oxane-3,4,5-triol
+Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4	Z48	n-[(1s)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1h-pyrrole-2-carboxamide
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)O)O)O	Z4K	2-o-sulfo-alpha-d-glucopyranose
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)S)O	Z4R	methyl 3-thio-alpha-d-mannopyranoside
+CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O)O	Z4S	1,6-anhydro-n-acetyl-beta-d-glucopyranosamine
+CO[C@@H]1[C@@H]([C@H]([C@@H](CO1)S)O)O	Z4U	methyl 4-thio-alpha-d-xylopyranoside
+C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)S	Z4V	4-thio-beta-l-ribopyranose
+C1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O	Z4W	beta-d-lyxopyranose
+C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)S	Z4Y	6-thio-alpha-d-mannopyranose
+c1c(c(cc(c1O)Br)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O	Z57	(1s)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-d-glucitol
+c1ccc(cc1)[C@H]2CCCN2C(=O)[C@@H]([C@H](C(=O)NCc3cccs3)O)O	Z59	(2r,3r)-2,3-dihydroxy-4-oxo-4-[(2r)-2-phenylpyrrolidin-1-yl]-n-(thiophen-2-ylmethyl)butanamide
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-]	Z5A	p1-(5'-adenosyl)p5-(5'-(3'azido-3'-deoxythymidyl))pentaphosphate
+c1ccc(cc1)c2ccc(cc2)c3csc(n3)N/N=C(\Cc4ccccc4[N+](=O)[O-])/C(=O)O	Z5D	(2e)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
+c1cc(ccc1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)Cl	Z5G	2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
+C[C@H]1[C@@H]([C@H](CC(O1)O)O)O	Z5J	beta-l-olivopyranose
+CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F	Z5K	n-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
+CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S	Z5L	methyl 2-thio-alpha-d-mannopyranoside
+c1ccc(c(c1)CN)n2cccn2	Z5P	1-[2-(1h-pyrazol-1-yl)phenyl]methanamine
+C[C@@H](c1c(ccc(c1F)Cl)Cl)Oc2ccc3ccc(c(c3c2)C4CC4)/C=C/C(=O)O	Z5Y	(2e)-3-{1-cyclopropyl-7-[(1s)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid
+C=CCNc1nc(c(s1)C(=O)c2ccc(s2)Cl)N	Z60	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone
+C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	Z61	2-deoxy-alpha-d-arabino-hexopyranose
+C=CCNc1nc(c(s1)C(=O)c2cccc(c2)[N+](=O)[O-])N	Z62	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
+C=CCNc1nc(c(s1)C(=O)c2ccncc2)N	Z63	[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone
+Cc1c(c([nH]n1)c2ccco2)CCCCN(C)c3c4c(nc[nH]4)ncn3	Z64	n-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
+c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N)F	Z67	4-amino-n-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
+c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC3CCCCC3)N	Z68	[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
+CCCCCCCCCCCCCCC[C@H](O)OC[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@H]([C@H]([C@@H]2O[P@](=O)(O)OC[C@@H](CO[C@@H](CCCCCCCC[C@@H](C)CCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCCC)O)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O)O)O)O	Z69	(1s,2r,3r,4s,5r,6s)-2-(alpha-l-allopyranosyloxy)-3,4,5-trihydroxy-6-({6-o-[(1r)-1-hydroxyhexadecyl]-beta-l-gulopyranosyl}oxy)cyclohexyl (2r)-2-{[(1s)-1-hydroxyhexadecyl]oxy}-3-{[(1s,10s)-1-hydroxy-10-methyloctadecyl]oxy}propyl hydrogen (r)-phosphate
+C([C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O	Z6H	alpha-l-altropyranose
+C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O	Z6J	alpha-l-ribofuranose
+Cc1cc(ccc1c2cc(c(nc2)N)C(=O)NC3CC3)NC(=O)[C@@H](c4cc(cc(c4)F)F)O	Z6P	2-amino-n-cyclopropyl-5-(4-{[(2r)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide
+Cc1c(ccc(n1)C2=CN=C(N(C2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C	Z6V	vimseltinib
+CCCCCCCC(C[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O	Z6W	(5r)-5-[(2r)-2-hydroxynonyl]-beta-d-xylulofuranose
+CCCCCCCCCCCC(=O)CC(=O)O	Z6X	3-oxotetradecanoic acid
+c1c([nH]c(n1)N)CC[C@@H](C(=O)O)N	Z70	(2s)-2-amino-4-(2-amino-1h-imidazol-5-yl)butanoic acid
+c1cc(ccc1Nc2nc(c(s2)C(=O)Nc3cc(cc(c3)F)F)N)S(=O)(=O)N	Z71	4-amino-n-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
+COc1ccc2c(c1OC3CCCC3)OC(=O)C=C2Nc4c(cncc4Cl)Cl	Z72	8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2h-chromen-2-one
+CCCc1nc(c2n1c3c(ccc(n3)OC)nc2C)C	Z73	2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)S(=O)(=O)c4ccccc4)O)C	Z74	n'-{(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)Cc4ccccc4)O)C	Z75	n'-[(1s,2s)-2-[(2r)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-n,n-dipropylbenzene-1,3-dicarboxamide
+Cc1cccc(c1)S(=O)(=O)[N@]2CCN[C@H](C2)[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCC[C@@H]5COC)C)O	Z76	n-[(1s,2s)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2r)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2r)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
+Cc1cc2c(cc1C)NC(=O)C(=C2)CN(CCO)C(=S)Nc3cccc(c3)OC	Z77	1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea
+Cc1ccc2c(c1)C=C(C(=O)N2)CN(CCO)C(=O)Nc3ccccc3F	Z78	3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea
+COc1ccc(cc1)S(=O)(=O)NCC(=O)NO	Z79	n-hydroxy-n~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
+c1ccc(cc1)COc2ccc(cc2)C3(CCCC3)S(=O)(=O)c4ccc(cc4)F	Z7D	1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
+c1cc(c(c(c1)Cl)COc2ccc3c(c2)CC[C@@H]4[C@]3(CCN4C(=O)C5CCC(CC5)C(=O)O)S(=O)(=O)c6ccc(cc6)F)F	Z7F	trans-4-{(3ar,9br)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid
+CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)CO)Cl	Z7G	{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
+CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)NC(=O)Cc3cccnc3)Cl	Z7H	n-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide
+CC(C)c1cc(cnc1OC)Oc2c(cc(cc2Cl)NC(=O)CC3CCN(CC3)S(=O)(=O)C)Cl	Z7I	n-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O	Z7P	(2r,3r,4s,5s,6r)-3,4-dihydroxy-5-[(e)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
+CC(=O)N[C@H]1[C@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO	Z7S	n-[(2s,3s,4r,5r,6r)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
+c1ccc(cc1)c2ccc(cc2)C(=O)O	Z7Z	biphenyl-4-carboxylic acid
+CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl	Z80	3-(2-chloro-10h-phenothiazin-10-yl)-n,n-dimethylpropan-1-amine
+CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cc(ccc4F)F	Z81	(5s)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4h-imidazol-4-one
+c1cc(ccc1C(=O)O)Br	Z82	4-bromobenzoic acid
+CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nccs3	Z83	(4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1h-pyrazol-1-yl}phenyl)acetic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccncc4	Z84	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccccc4	Z85	1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]urea
+CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nc(cs3)CCOCc4ccccc4	Z86	(4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1h-pyrazol-1-yl}phenyl)acetic acid
+Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nccs3	Z87	1-[3-tert-butyl-1-(4-methylphenyl)-1h-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea
+CC(=O)NS(=O)(=O)c1ccc(cc1)Br	Z88	n-[(4-bromophenyl)sulfonyl]acetamide
+c1cc2c(cc1Br)/C(=C/3\C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=O)N2	Z89	(2r)-2-[(5z)-5-(5-bromo-2-oxo-1,2-dihydro-3h-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
+c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N	Z8B	5'-azido-8-bromo-5'-deoxyadenosine
+CC(C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(c3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O	Z8G	n-[(3r,3as,9bs)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide
+C([C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O	Z8H	beta-l-gulopyranose
+CC(C)(CN1[C@@H](C[C@H](C1=O)F)C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)O	Z8I	(3r,5s)-3-fluoro-5-[(3ar,9br)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3h-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one
+CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O	Z8R	3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid
+C([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O	Z8T	beta-l-glucopyranose
+CC(=O)N[C@H]1[C@@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO	Z8V	n-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cnco3)Cc4ccccc4	Z8Z	n~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-n-[(2r,5r)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-l-valinamide
+c1ccc(cc1)CCc2ccc(cc2)COc3ccccc3CC[N@@](CCCCC(=O)O)Cc4ccc(cc4)C(=O)O	Z90	4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid
+COc1ccc(cc1OC)C\2=NNC(=O)/C2=N/Nc3ccc(cc3)Cl	Z92	(4e)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3h-pyrazol-3-one
+COc1ccc2c(c1)C(=O)[N+](=C2)C[C@@]3(C(=O)NC(=O)N3)c4ccc(cc4)c5cccnc5	Z93	2-{[(4r)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1h-isoindolium
+CC(=O)Nc1ccc(cc1)[C@H]2C(=O)NC(=O)N2	Z94	n-{4-[(4s)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide
+CC(C)(C)OC(=O)N1CCN(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)[C@H](c5cncn5C)O)Cl	Z96	tert-butyl 4-{(11s)-8-chloro-6-[(r)-hydroxy(1-methyl-1h-imidazol-5-yl)methyl]-11h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCC[C@@H](C(=O)O)N)O	Z97	(e)-n~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-l-ornithine
+Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\CC[C@@H](C(=O)O)N)O	Z98	(2s)-2-amino-4-{[(1z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid
+c1ccc2c(c1)C(c3ccccc3O2)C[C@]([C@H]4C[C@@H]4C(=O)O)(C(=O)O)N	Z99	2-[(1s,2s)-2-carboxycyclopropyl]-3-(9h-xanthen-9-yl)-d-alanine
+C1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO	Z9D	4-deoxy-beta-d-xylo-hexopyranose
+C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)O)O	Z9E	1-thio-alpha-d-glucopyranose
+CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O)COS(=O)(=O)O	Z9H	3,4-di-o-methyl-2,6-di-o-sulfo-alpha-d-glucopyranose
+CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O	Z9K	3-o-methyl-2-o-sulfo-alpha-l-idopyranuronic acid
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O	Z9L	methyl 2,3,6-tri-o-sulfo-alpha-d-glucopyranoside
+C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O	Z9M	2-amino-2-deoxy-4-o-phosphono-beta-d-glucopyranose
+C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)O	Z9N	alpha-d-fructofuranose
+C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)O	Z9W	2-acetamido-2-deoxy-beta-d-quinovopyranose
+CC(C)c1nc(cs1)CN(C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc4	Z9Z	pyridin-3-ylmethyl [(2r,5s)-5-{[n-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-d-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
+[B-](CNC(=O)c1ccccc1Cl)(O)(O)O	ZA2	[(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron
+[B-](CNC(=O)c1ccccc1[N+](=O)[O-])(O)(O)O	ZA3	trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron
+[B-](CNC(=O)c1ccccc1F)(O)(O)O	ZA4	[(2-fluorophenyl)carbonylamino]methyl-trihydroxy-boron
+[B-](CNC(=O)c1c(cccc1F)F)(O)(O)O	ZA5	[(2,6-difluorophenyl)carbonylamino]methyl-trihydroxy-boron
+Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)Cc4c(nn(n4)c5ccccc5)CC(=O)O	ZAA	(5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid
+c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O	ZAB	(3-{(z)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid
+c1nc(c2c(n1)n(cn2)C[C@@H](COP(=O)(O)O)O)N	ZAD	(s)-1'-(2',3'-dihydroxypropyl)-adenine
+CN[C@H](Cc1ccccc1)C(=O)O	ZAE	n-methyl-d-phenylalanine
+C[C@@H](C(=O)N[C@@H](C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2	ZAF	o-(((1r)-((n-phenylmethoxycarbonyl-l-alanyl)amino)ethyl)hydroxyphosphono)-l-benzylacetic acid
+C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc2ccccc2	ZAH	n-[(benzyloxy)carbonyl]-l-alanyl-l-proline
+C1CCC(CC1)C[C@H](C(=O)O)N	ZAL	3-cyclohexyl-d-alanine
+CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C	ZAM	3-[(acetyl-methyl-amino)-methyl]-4-amino-n-methyl-n-(1-methyl-1h-indol-2-ylmethyl)-benzamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O)N	ZAN	5'-o-[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
+[H]/N=C(\c1ccc(cc1)[C@H](NC(=O)OCc2ccccc2)P(=O)(O)O)/N	ZAP	[n-(benzyloxycarbonyl)amino](4-amidinophenyl)methane-phosphonate
+COc1cc(ccc1OC(F)F)C2=NNC(=O)C=C2	ZAR	6-(4-difluoromethoxy-3-methoxy-phenyl)-2h-pyridazin-3-one
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N]=N)O)O)N	ZAS	5'-azido-5'-deoxyadenosine
+[H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/[H])/N)/C	ZAT	4,4'-diacetyldiphenylurea-bis(guanylhydrazone)
+c1cc(cnc1)C(=O)c2cccnc2	ZAW	di(pyridin-3-yl)methanone
+C1CCC(CC1)CCCCCO	ZAZ	5-cyclohexylpentan-1-ol
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)CO)O	ZB0	2,3-di-o-methyl-alpha-d-glucopyranose
+CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O	ZB1	3-o-methyl-alpha-d-glucopyranose
+CO[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O	ZB2	2-o-methyl-alpha-d-glucopyranose
+COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)O)O	ZB3	2,6-di-o-methyl-alpha-d-glucopyranose
+COc1ccccc1N2CCN(CC2)[C@H]3CCCC[C@@H]3NS(=O)(=O)c4ccccc4	ZB4	n-{(1s,2s)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
+C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(=O)O	ZB6	(2r,6r)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
+CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C	ZBA	12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate
+C1=C(C(=NC(=O)N1C[C@@H](COP(=O)(O)O)O)N)Br	ZBC	(2s)-3-(4-amino-5-bromo-2-oxopyrimidin-1(2h)-yl)-2-hydroxypropyl dihydrogen phosphate
+C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=O)=O)Cc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O	ZBD	4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3h)-yl}-n-[(2r)-4-hydroxybutan-2-yl]-n-methylbutanamide
+C#Cc1cccc(c1)N(C(=O)CC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O	ZBF	l-gamma-glutamyl-n-(3-ethynylphenyl)-n-hydroxy-l-glutaminylglycine
+c1c(cc(cc1CBr)CBr)CBr	ZBR	1,3,5-tris(bromomethyl)benzene
+c1ccc(cc1)CC(=O)Nc2nnc(s2)[C@H]3CCC[C@@H](C3)c4nnc(s4)NC(=O)Cc5ccccc5	ZBS	2-phenyl-~{n}-[5-[(1~{s},3~{s})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide
+CC[C@H](C)C1=NCCS1	ZBT	2-[(1s)-1-methylpropyl]-4,5-dihydro-1,3-thiazole
+C1=C(C(=O)NC(=O)N1C[C@@H](COP(=O)(O)O)O)Br	ZBU	(s)-1'-(2',3'-dihydroxypropyl)-5-bromo-uracil
+c1ccc(cc1)C(=O)SC[C@@H](C(=O)O)N	ZBZ	s-(phenylcarbonyl)-l-cysteine
+c1conc1NC[C@H]2CN(C(=O)O2)c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F	ZC0	contezolid
+CC(=O)Nc1nc2cc(ccc2s1)F	ZC3	n-(5-fluoranyl-1,3-benzothiazol-2-yl)ethanamide
+C([C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O	ZCD	alpha-d-idopyranose
+c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl	ZCL	3,4-dichloro-l-phenylalanine
+[Cm+3]	ZCM	curium ion
+c1cc(cc(c1)O)[N+](=O)[O-]	ZCQ	3-nitrophenol
+C[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)c3c(cc(c(c3C2=O)O)c4cc(c5c(c4O)C(=O)C6=C(C5=O)C[C@H](O[C@@H]6C)CC(=O)O)O)O	ZCT	2,2'-[(1r,1'r,3s,3's)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1h,1'h-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid
+c1ccc2c(c1)c(c[nH]2)CCO	ZCW	2-(1h-indol-3-yl)ethanol
+C1=CN(C(=O)N=C1N)C[C@@H](COP(=O)(O)O)O	ZCY	(s)-1'-(2',3'-dihydroxypropyl)-cytosine
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)OC)O)NC(=O)[C@@H](CCO)O	ZCZ	4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-2-o-methyl-alpha-d-mannopyranose
+C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)NC(=O)[C@@H](CCO)O	ZD0	methyl 4,6-dideoxy-4-{[(2r)-2,4-dihydroxybutanoyl]amino}-alpha-d-mannopyranoside
+C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO	ZD1	(1r,4s,5s,6r)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-d-glucopyranoside
+c1nc(c2c(n1)n(cn2)CC[C@@H](C(=O)O)O)N	ZD2	(2s)-4-(6-amino-9h-purin-9-yl)-2-hydroxybutanoic acid
+c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)Cl)N	ZD4	2-chloroadenosine 5'-(trihydrogen diphosphate)
+CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br	ZD6	vandetanib
+CCc1cc2c(c(n1)CC)CCC(=O)N2Cc3ccc(cc3)c4ccccc4c5[nH]nnn5	ZD7	5,7-diethyl-1-{[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1h)-one
+CC#CNCc1cc2c(cc1C)N=C(NC2=O)C	ZD9	2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3h)-one
+C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O	ZDA	2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate)
+C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O	ZDC	3,7-anhydro-2,8-dideoxy-l-glycero-d-gluco-octonic acid
+Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)C#CCCO[N+](=O)[O-]	ZDG	4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate
+Cc1cc(ccc1O)C[C@@H](C(=O)O)N	ZDJ	3-methyl-l-tyrosine
+CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O	ZDM	nonyl 4-o-alpha-d-glucopyranosyl-beta-d-glucopyranoside
+CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O	ZDO	methyl 2-deoxy-6-o-sulfo-2-(sulfoamino)-alpha-d-glucopyranoside
+C[C@](CCC[C@@H](C(=O)O)N)(C(=O)O)N	ZDP	(2s,6s)-2,6-diamino-2-methylheptanedioic acid
+C[C@@](CCC[C@@H](C(=O)O)N)(C(=O)O)N	ZDR	(2r,6s)-2,6-diamino-2-methylheptanedioic acid
+C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCN)COP(=O)(O)O)O	ZDU	5-(3-aminopropyl)-2'-deoxyuridine-5'-monophosphate
+c1cc(cc(c1)F)CN	ZDV	1-(3-fluorophenyl)methanamine
+C1CCC(CC1)CCCCCCO	ZE7	6-cyclohexylhexan-1-ol
+C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O	ZE8	zebularine
+C/C(=C\CNc1c2c([nH]cn2)ncn1)/CO	ZEA	(2e)-2-methyl-4-(9h-purin-6-ylamino)but-2-en-1-ol
+C1=CN(C(=O)N[C@@H]1O)C2[C@@H]([C@@H]([C@H](O2)CO)O)O	ZEB	4-hydroxy-3,4-dihydro-zebularine
+c1cc2c(cc1O)sc(n2)S(=O)(=O)N	ZEC	6-hydroxy-1,3-benzothiazole-2-sulfonamide
+C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)Sc2ccccc2	ZED	l-proline, 1-[(2s)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-, 4s
+C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O	ZEE	beta-l-talopyranose
+c1cc(ccc1c2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)F	ZEG	4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
+CO[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O	ZEL	methyl beta-d-altropyranoside
+Cc1c(c2n3c1C(=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)CCC(=O)O)C)C=C)C)O)CCC(=O)O	ZEM	20-oxo-protoporphyrin ix containing zn(ii)
+c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5	ZEN	[4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]- (3,4,5,6-tetrahydro-2h-[1,4']bipyridinyl-4-yl)- methanone
+CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3ccccc3F	ZEP	n,n-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
+C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1)O)O	ZER	(3s,11e)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
+c1cc2c(cc1Cl)N(C(=O)N(C2=O)Cc3ccc(cc3F)Br)CC(=O)O	ZES	[3-(4-bromo-2-fluoro-benzyl)-7-chloro-2,4-dioxo-3,4-dihydro-2h-quinazolin-1-yl]-acetic acid
+C(CCCCO)CCCC(=O)O	ZEU	9-hydroxynonanoic acid
+c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@H]4[C@H](O3)CO[P@@](=S)(O[C@@H]5[C@@H]([C@@H](CO[P@@](=S)(O4)[O-])O[C@H]5n6cnc7c6N=C(NC7=O)N)F)[O-])F)N	ZEV	(2r,5r,7r,8s,10r,12ar,14r,15s,15ar,16r)-7-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-14-(6-amino-9h-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2h,10h,12h-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
+CC1C=C(C(CC1O)(C)C)C=CC(=C\C=C\C(=CC=CC=C(C)C=C\C=C(/C)\C=CC2=C(C[C@@H](CC2(C)C)O)C)C)C	ZEX	(1r,2s)-4-{(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(4s)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol
+C/C(=C/CNc1c2c([nH]cn2)ncn1)/CO	ZEZ	(2z)-2-methyl-4-(9h-purin-6-ylamino)but-2-en-1-ol
+Cc1cccc(c1)CN	ZF0	1-(3-methylphenyl)methanamine
+c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O	ZF1	7-hydroxy-3-(4-hydroxyphenyl)-4h-chromen-4-one
+C[C@@H](c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(CC3)C(F)(F)F)N4[C@@H]5CC[C@H]4CC(C5)C(=O)O	ZF7	(1r,3s,5s)-8-{(1s)-1-[8-(trifluoromethyl)-7-{[(1s,4r)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid
+c1ccc(cc1)C[C@H](C(=O)C[N+]#N)NC(=O)OCc2ccccc2	ZFB	(3r)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium
+C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N(C)C	ZFG	4-{5-[(2e)-but-2-en-2-yl]thiophen-2-yl}-n,n-dimethylaniline
+CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)/C=C/C)(C)C	ZFJ	(4ap)-n,n-diethyl-9,9-dimethyl-7-[(1e)-prop-1-en-1-yl]-9h-fluoren-2-amine
+C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N3CCC3	ZFP	1-(4-{5-[(2e)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine
+C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O	ZFR	(1e,10s)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one
+CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3cccc(c3)C(F)(F)F	ZFS	n-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide
+CC(C)(c1csc(n1)NS(=O)(=O)C2CC2)C(=O)Nc3ccc(cn3)c4cncc(n4)C(F)(F)F	ZFY	2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-n-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
+CCn1c2c(cn1)c(c(cn2)c3nc(no3)CC(=O)N4CCCC4)NC5CCOCC5	ZG1	1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-b]pyridin-4-amine
+CCn1c2c(cn1)c(c(cn2)c3nc(c(o3)Cc4ccccc4)CC(=O)N5CCCC5)NC6CCOCC6	ZG2	5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-n-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-b]pyridin-4-amine
+CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4csc(n4)NS(=O)(=O)C5CC5	ZG4	n-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
+c1cc(cc(c1)Br)Oc2cnc3c(c(nn3c2O)C4(CC4)c5ccc(cc5)Cl)C#N	ZG7	(8s)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile
+CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)Cc3ccccc3)OC(=O)C)O	ZGA	zaragozic acid a
+Cc1cc(ccc1OC)CCC(=O)O	ZGB	3-(4-methoxy-3-methylphenyl)propanoic acid
+COc1ccc(cc1)CCC(=O)O	ZGC	3-(4-methoxyphenyl)propanoic acid
+CNc1cc(ncn1)Oc2c(cc(cc2Cl)NC(=O)Nc3cccc(c3)C(F)(F)F)Cl	ZGD	n-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-n'-[3-(trifluoromethyl)phenyl]urea
+[H]/N=C(/N)\N[C@@H]1[C@H]([C@@H](OC(=C1F)C(=O)O)[C@@H]([C@@H](CO)O)O)NC(=O)C	ZGE	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-d-glycero-d-galacto-non-2-enonic acid
+C(CC(=O)O)[C@H](C(=O)N)N	ZGL	d-alpha-glutamine
+C(CC(=O)O)C(CC(=O)C(=O)O)O	ZGM	(4s)-4-hydroxy-2-oxoheptanedioic acid
+Cc1c(nc(c(c1OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)S	ZGP	5'-o-[(r)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxo-2-sulfanylethyl)pyridin-4-yl]oxy}phosphoryl]guanosine
+C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1C(=O)O)O)O)O	ZGR	2,4-dihydroxy-6-[(1e,10s)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid
+CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O	ZGS	[(2~{r})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (9~{z},12~{z},15~{z})-octadeca-9,12,15-trienoate
+c1nc2c(n1C[C@@H](COP(=O)(O)O)O)N=C(NC2=O)N	ZGU	(s)-1'-(2',3'-dihydroxypropyl)-guanine
+CC[C@@H](/C=C/C=C(\C)/C=C/C(=O)NC(=O)/C=C/C1=CCN1C(=O)O)O	ZGV	4-[(1e)-3-{[(2e,4e,6e,8s)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2h)-carboxylic acid
+COC(=O)c1cccc(c1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	ZH1	methyl 4'-(alpha-d-mannopyranosyloxy)biphenyl-3-carboxylate
+C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O	ZH2	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
+O[Zn-](O)O	ZH3	zinc trihydroxide
+C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2cccc(c2)N)O	ZH4	4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-n-[(2s,3r)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide
+C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@H](CC/C=C(/C=C/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)OC)O)O)\C)O)OC)[C@H]([C@]3([C@@H]([C@H]([C@H]([C@H](O3)C[C@H](COC)O[C@H]4C[C@]([C@H]([C@@H](O4)C)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)OC)(C)O)C)O)C)O)O)\C)\C)\C	ZH7	(3~{e},5~{e},7~{e},9~{r},10~{r},11~{e},13~{e},17~{s},18~{s},20~{s})-18-methoxy-20-[(~{r})-[(2~{r},3~{r},4~{s},5~{r},6~{r})-6-[(2~{r})-3-methoxy-2-[(2~{r},4~{s},5~{s},6~{s})-5-[(2~{s},4~{r},5~{r},6~{r})-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-propyl]-3,5-dimethyl-2,4-bis(oxidanyl)oxan-2-yl]-oxidanyl-methyl]-10-[(2~{r},3~{s},4~{s},5~{r},6~{s})-5-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5,7,9,13-pentamethyl-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one
+CC(=O)Nc1ccc2c(c1)CCCC2=O	ZHA	~{n}-(5-oxidanylidene-7,8-dihydro-6~{h}-naphthalen-2-yl)ethanamide
+C[C@H]1CCC[C@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O	ZHB	(3s,7s,11e)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1h-2-benzoxacyclotetradecin-1-one
+C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@@H](/C=C(/C=C(/C=C(/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)\C)\C)\C)O)OC)[C@@H](C)[C@]3([C@@H]([C@H]([C@]([C@H](O3)CCCOC)(C)O[C@H]4C[C@@H]([C@@H]([C@H](O4)C)O[C@H]5C[C@@]([C@@H]([C@H](O5)C)O)(C)O)O)O)OC)O)\C)\OC)\C	ZHD	(3~{e},5~{z},7~{e},9~{r},10~{s},11~{e},13~{e},15~{e},17~{r},18~{s},20~{s})-20-[(1~{r})-1-[(2~{s},3~{r},4~{r},5~{s},6~{r})-5-[(2~{s},4~{s},5~{s},6~{r})-5-[(2~{s},4~{r},5~{r},6~{r})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-3-methoxy-6-(3-methoxypropyl)-5-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethyl]-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-[(2~{r},3~{s},4~{r},5~{r},6~{s})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one
+C[C@H](c1c(cc(c(c1O)[C@@H](C)O)O)O)O	ZHG	2,4-bis[(1r)-1-oxidanylethyl]benzene-1,3,5-triol
+COc1ccc(cc1)CCN	ZHH	2-(4-methoxyphenyl)ethanamine
+COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)NC(=N2)c3ccccc3)O	ZHJ	5-hydroxy-n-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide
+C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(c(c3)Cl)Cl	ZHK	(2r)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)propanamide
+Cc1c(n(nn1)C2CCNCC2)c3cccc(n3)Oc4cc(ccc4Br)Br	ZHM	2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1h-1,2,3-triazol-5-yl]pyridine
+CCCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCCCCC	ZHN	pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate
+CC1=C(C(=O)C=CN1C[C@@H](COP(=O)(O)O)O)O	ZHP	(s)-1'-(2',3'-dihydroxypropyl)-hydroxypyridone
+Cc1cc(cc(c1)Oc2cccc(n2)c3c(nnn3C4CCN(CC4)CCN(C)C)C)C	ZHS	2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidin-1-yl)-n,n-dimethylethan-1-amine
+C/C=C(\C)/C(=O)C[C@H]1C[C@@H]([C@H](CCCC/C=C(/[C@H]2C=C[C@H]3C[C@H](C[C@H]([C@H]3[C@@H]2C(=O)C4=C(CN1C4=O)O)C)C)\C)C)O	ZHU	alchivemycin a
+Cc1c(n(nn1)C2CCN(CC2)CCN(C)C)c3cccc(n3)Oc4cc(ccc4Br)Br	ZHV	2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1h-1,2,3-triazol-1-yl}piperidin-1-yl)-n,n-dimethylethan-1-amine
+COc1ccc(cc1)CC(=O)N	ZHZ	2-(4-methoxyphenyl)acetamide
+C[C@H](c1nc(c(o1)Br)c2ccc(cc2)C(F)(F)F)Oc3ccc(c(c3F)C(=O)N)F	ZI1	3-[(1r)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide
+c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)F)Br)C(F)(F)F	ZI6	3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide
+c1cc(c(c(c1OCc2nc3cc(cnc3s2)C(F)(F)F)F)C(=O)N)F	ZI7	2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
+c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	ZID	isonicotinic-acetyl-nicotinamide-adenine dinucleotide
+COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F	ZIG	2,4-difluoro-n-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide
+CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)OCc1ccccc1	ZIL	n-[(benzyloxy)carbonyl]-l-isoleucyl-l-leucine
+c1ccnc(c1)Cc2ccc3cccnc3c2O	ZIN	7-(pyridin-2-ylmethyl)quinolin-8-ol
+C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C	ZIO	(3s,5r,6s,7r,8r,11r,12s,13r,14s,15s)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-o-methyl-alpha-l-arabino-hexopyranoside
+CC(=CCNc1c2c([nH]cn2)ncn1)C	ZIP	n-(3-methylbut-2-en-1-yl)-9h-purin-6-amine
+C[C@](Cc1c[nH]c2c1cccc2)(C(=O)O)N	ZIQ	alpha-methyl-l-tryptophan
+CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C	ZIR	n-(3-methylbut-2-en-1-yl)adenosine
+CC[C@@H]1[C@@]([C@@H]([C@H]([N@@](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O	ZIT	azithromycin
+CCCCCCCCCC(=O)c1cc(cc(c1)OC)OC	ZJ0	1-(3,5-dimethoxyphenyl)decan-1-one
+CCS(=O)(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC3CCCCC3	ZJ1	(2r)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-n-cyclohexyl-2-(pyridin-3-yl)acetamide
+Cc1cccc(c1c2ccc(s2)C(=O)O)C	ZJ4	5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid
+Cc1cc(c(c(c1)C)c2ccc(s2)C(=O)O)C	ZJ7	5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid
+Cc1ccccc1c2ccc(s2)C(=O)O	ZJA	5-(2-methylphenyl)thiophene-2-carboxylic acid
+CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N	ZJB	(2r,3r,4s,5r)-2-(3-amino-5-methyl-1,4,5,6,8-pentaazaacenaphthylen-1(5h)-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
+CCc1ccccc1c2ccc(s2)C(=O)O	ZJD	5-(2-ethylphenyl)thiophene-2-carboxylic acid
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCC6)C(=O)NS(=O)(=O)C7(CC7)C	ZJG	cyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CC(C6)(F)F)C(=O)NS(=O)(=O)C7(CC7)C	ZJJ	3,3-difluorocyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@@H]6CCC[C@H]6F)C(=O)NS(=O)(=O)C7(CC7)C	ZJM	(1r,2r)-2-fluorocyclopentyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C	ZJS	n-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate)
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@@H](C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C	ZJV	(2s)-1,1,1-trifluoropropan-2-yl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OCC6(CC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C	ZJY	[1-(trifluoromethyl)cyclopropyl]methyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F	ZK1	{[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2h)-yl]methyl}phosphonic acid
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C6CCCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C	ZK4	(1r)-1-cyclopentyl-2,2,2-trifluoroethyl {(2r,4r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F	ZK5	9alpha-fluorocortisol
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C	ZK7	1-(trifluoromethyl)cyclobutyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3cccc(c3)C[NH3+])F	ZK9	[3-aminomethylphenyl-oxy-]-[benzamidin-3-yloxy]-3,5-difluoro-4-methyl-pyridine
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OCC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C	ZKA	(1-methylcyclopropyl)methyl {(2r,4s,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+CC(=O)NC1[C@H]([C@@H]([C@H](O[C@@H]1S[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O	ZKD	uridine-diphosphate-1-deoxy-1-thio-n-acetylglucosamine
+O=[W]1234O[Zr]56O[W]78(=O)(O1)O2P91O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O96[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O)(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O8)(O7)O2	ZKG	zirconium(iv) phosphotungstate keggin
+Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C	ZKJ	(2r)-1,1,1-trifluoropropan-2-yl {(2r,4r,6s,12z,13as,14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
+CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O	ZKM	n-[(1s,2r,3e)-2-hydroxy-1-{[(3-o-sulfo-beta-d-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide
+C[S]1[Fe]2S[Fe]3[S]2[Fe]1S3	ZKP	fe3-s4 methylated cluster
+[C@@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	ZKS	(1r,2r,3r,4r,5r,6s)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
+c1cc(c(cc1Cl)Cl)Cn2c(cc(n2)C(=O)O)C(=O)O	ZKW	1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
+c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4)NC(=O)C5CC5)F	ZL1	n-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
+CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccc4c(c3)cc[n+](c4O)CCCCCCCCN5CCC6(CC5)C[C@@H]6C(=O)N1)(O)O	ZL4	(1r,3s,6s,18r,27r)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name)
+Cc1cccc2c1n(nc2c3cc(ccc3F)C(F)(F)F)Cc4nnn(n4)C	ZL5	3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2h-tetrazol-5-yl)methyl]-1h-indazole
+CC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[C@@H](c3ccc(cc3)F)C(F)(F)F	ZL7	(2r,3s)-n-cyclopropyl-3-{[(2r)-3-(cyclopropylmethanesulfonyl)-2-{[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)
+c1ccc2c(c1)ncc(n2)C(=O)NCc3cn(nn3)c4c(cc(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7	ZLA	1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1h-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid
+CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3	ZLD	n-{[(5s)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
+c1cc(nc2c1cc(cc2)F)C(=O)NCc3cn(nn3)c4c(cc(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7	ZLG	antabactin
+C(CCl)S(=O)(=O)O	ZLJ	2-chloroethane-1-sulfonic acid
+Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C	ZLK	zafirlukast
+CCC(CCCCC[C@@H](c1[nH]c(cn1)c2ccc3c(c2)C=CN(C3=O)CC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O	ZLM	(1s)-6-ethyl-n-{(1s)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1h-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide
+CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=O)(=O)c4ccc5c(c4)O/C(=N\C)/N5	ZLP	(3r,3as,4r,6ar)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-3-hydroxy-4-[{[(2z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
+CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)[C@H]4CC[C@@H]3C4)NC(=O)[C@H]5CC56CCN(CC6)C)(O)O	ZLS	(1s)-n-[(1s)-7,7-dihydroxy-1-{4-[(1r,4s)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1h-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
+CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccccc3OCCCCCN4CC[C@@H]4C(=O)N1)(O)O	ZLV	(3s,18s,20ar)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4h-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2h)-one
+c1ccc2c(c1)cccc2C[C@@H]3C/C=C/[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H](C(=O)NC3)CC(=O)N)c5ccc(cc5)CC(=O)O	ZLY	(4-{(10r,11e,14s,18s)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid
+CC(=O)N[C@H](C=O)[C@H]([C@@H](CCOP(=O)(O)O)O)O	ZM1	2-acetamido-2,5-dideoxy-6-o-phosphono-d-lyxo-hexose
+CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)OC	ZM3	mycinamicin iii
+c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O	ZMA	4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol
+B1(c2ccccc2[C@H](O1)O)O	ZMD	(3s)-2,1-benzoxaborole-1,3(3h)-diol
+Cc1ccn(c1)c2c3c([nH]cn3)ncn2	ZME	6-(3-methyl-1h-pyrrol-1-yl)-9h-purine
+CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2F	ZMG	(5r)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5h)-one
+CC(C)(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)OC)O	ZMK	methyl 7-{[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate
+CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	ZMO	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9z)-octadec-9-enethioate
+CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	ZMP	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate
+CCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O	ZMQ	s-[2-({n-[(2s)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9z)-hexadec-9-enethioate
+[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O	ZMR	zanamivir
+CC(CN1Cc2cc(ncc2-c3cnc(n4c3c(nc4)C1=O)NCc5c(ccc6c5CCO6)F)C(F)(F)F)(F)F	ZMY	(9ap,12ar)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3h-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one
+[Zn+2]	ZN	zinc ion
+CC[Sn](CC)(CC)Cl	ZN0	triethyltin chloride
+[Zn+2]	ZN2	zinc ion on 3-fold crystal axis
+[OH2][Zn+2]	ZN3	zinc ion, 1 water coordinated
+CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)Cl	ZN4	1-(4-chlorophenyl)-n-[2-(diethylamino)ethyl]methanesulfonamide
+C[Sn](C)(Br)Br	ZN5	dimethyltin dibromide
+CC[Sn](CC)(Cl)Cl	ZN6	diethyltin dichloride
+CC[Pb](CC)(Br)Br	ZN7	diethyllead dibromide
+C[Sn](C)(C)Cl	ZN8	trimethyltin chloride
+C[Pb](C)(C)Br	ZN9	trimethyllead bromide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](S4)[N]5=CC(=CC=C5)C(=O)N)O)O)O)O)N	ZNA	[[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
+c1nc(c2c(n1)n(c(n2)SCC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4Br)O)O)[C@H]6[C@@H]([C@@H]([C@H](O6)CN=[N]=N)O)O)N	ZNB	2-[6-azanyl-9-[(2r,3r,4s,5r)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanyl-n-[[(2r,3s,4r,5r)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide
+c1ccc(cc1)CCCN2CCC(=CC2)c3c[nH]c4c3cccn4	ZNC	3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1h-pyrrolo[2,3-b]pyridine
+Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5)C=C8C)C)CCC(=O)O	ZND	zinc (ii) deuteroporphyrin ix
+C[C@H](CCCC(c1nccs1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C	ZNE	(1r,3s,5z)-5-[(2e)-2-{(1r,3as,7ar)-1-[(1r,5s)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4h-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol
+c1cc-2c(cc1C(F)(F)F)CNC(=O)c3c4c2cnc(n4cn3)NCc5c6ccoc6ccc5F	ZNG	(9am,12as)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3h-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one
+Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C	ZNH	protoporphyrin ix containing zn
+C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(CO)(F)F)c4c(cc(cc4F)NC5CN(C5)CCCF)F	ZNM	3-[(1r,3r)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol
+C(CCNC(=O)CN=[N+]=[N-])CN	ZNN	n-(4-aminobutyl)-2-azidoacetamide
+[OH2][Zn+2][OH2]	ZNO	zinc ion, 2 waters coordinated
+c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)N	ZNP	(2r)-2-benzyl-3-nitropropanamide
+C=CCOc1ccccc1F	ZNV	1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene
+CCO[C@@H]1C[C@H](NC1)C(=O)O	ZNY	(4r)-4-ethoxy-l-proline
+CN1CCCN(CC1)c2c3ccccc3nc(n2)C(F)(F)F	ZO0	4-(4-methyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)quinazoline
+c1cc(cc(c1)C(F)(F)F)C=O	ZO1	3-(trifluoromethyl)benzaldehyde
+[OH2][Zn+2]([OH2])[OH2]	ZO3	zinc ion, 3 waters coordinated
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@@H]([C@@H]([C@@H](CO3)O)O)O)Cl	ZO4	n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-ribopyranosylamine
+c1cncc2c1cnc3c2scc3	ZO6	thieno[3,2-c][2,6]naphthyridine
+CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@H]([C@@H]([C@@H](CO3)O)O)O)Cl	ZO7	n-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-d-arabinopyranosylamine
+c1cncc2c1c3ccsc3nc2	ZO8	thieno[2,3-c][2,7]naphthyridine
+c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N	ZO9	4-[1-(cyclopropylmethyl)-1h-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
+CCOC(=O)c1cnc2c(cnn2c1C)NC(=S)NCc3ccc(cc3)S(=O)(=O)N	ZOA	ethyl (8r)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
+CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O	ZOD	[(2r,3r,4r,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] ethanoate
+C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2	ZOE	6-({5-[(3as,4s,5s,6ar)-5-oxido-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid
+[H]/N=C/1\N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O	ZOF	6-({5-[(2e,3as,4s,6ar)-2-iminohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid
+c1cc(ccc1C(=O)CCC(=O)O)S(=O)(=O)N2CCC(CC2)c3ccc(c(c3)F)F	ZOG	4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid
+c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O	ZOL	zoledronic acid
+Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O	ZOM	[5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrol-2-yl]acetic acid
+c1ccc2c(c1)c(no2)CS(=O)(=O)N	ZON	1-(1,2-benzoxazol-3-yl)methanesulfonamide
+CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)F)c3ccc(c(c3)C#CCCCF)F	ZOO	(5r)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4h-imidazol-4-one
+CCN(C)C(=O)c1ccc\2c(c1)NC(=O)/C2=C(/c3ccccc3)\Nc4ccc(cc4)CN5CCCCC5	ZOP	(3z)-n-ethyl-n-methyl-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1h-indole-6-carboxamide
+CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl	ZOT	2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-n,n-dimethyl-ethanamine
+Cc1cc(n(n1)C)c2cnc(c3c2scc3c4ccc5c(c4)ncs5)N	ZOV	3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1h-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine
+c1ccc(cc1)CCCCCCCCCC(=O)NCCC[C@@H](C(=O)N)N	ZOY	n-[(4s)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide
+CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O	ZOZ	3-keto-decanoyl-coa
+CCOP(=O)([C@@](CCC(=O)O)([C@@H]1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O	ZP1	(4~{s})-4-[(2~{r})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{h}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-]	ZP4	[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
+c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3	ZP6	(2s)-3-phenyl-2-[[(2s)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid
+CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O	ZP7	(2s)-2,3-dihydroxypropyl hexadecanoate
+[H]/N=C(/CCCS[C@@H]1CC(=O)N(C1=O)Cc2ccccc2)\N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O	ZPA	4-(n-benzylsuccinimide-3-sulfanyl)-n-(6-o-beta-d-xylopyranosyl-beta-d-glucopyranosyl)butylamidine
+CN1CCN(CC1)C(=O)O[C@@H]2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl	ZPC	(5r)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5h-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate
+CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCOP(=O)(O)O[C@@H]1C[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO	ZPD	(4s,8r,12s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl (1r,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (r)-phosphate
+CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)CO[P@@](=O)(O)OCCN	ZPE	(2r)-3-{[(s)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11z)-octadec-11-enoate
+CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(CO[C@H]1O2)CO)O)O	ZPF	n-[(1s,2r,3r,4r,5s)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
+C[C@H](COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O)O	ZPG	(2s,5r,8r,11s,14s,17s,21r)-5,8,11,14,17-pentamethyl-4,7,10,13,16,19-hexaoxadocosane-2,21-diol
+CC(C)C[C@H](N)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC	ZPH	methyl (2s)-2-{[(r)-[(1r)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate
+C1CC1C(=O)O	ZPJ	cyclopropanecarboxylic acid
+C1CC(C1)C(=O)O	ZPM	cyclobutanecarboxylic acid
+C/C=C/C=C\C(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2CC(=C)C[C@@H](O2)CCCC(=O)C/C(=C\C=C\C(=O)O1)/C)/C)O	ZPN	(2z,4e)-n-[(s)-[(1s,2e,5s,8e,10z,17s)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide
+C1CNN(C1)C(=O)O	ZPO	pyrazolidine-1-carboxylic acid
+Cc1cc(n(n1)COC(=O)N[C@@H](CS(=O)(=O)C)C(=O)N[C@@H](CC(C)C)[C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C)O)C	ZPQ	n~2~-[(2r,4s,5s)-5-{[n-{[(3,5-dimethyl-1h-pyrazol-1-yl)methoxy]carbonyl}-3-(methylsulfonyl)-l-alanyl]amino}-4-hydroxy-2,7-dimethyloctanoyl]-n-isobutyl-l-valinamide
+c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O	ZPR	n-benzyloxycarbonyl-l-prolyl-l-prolinal
+C1CC(C1)(C(=O)O)C(=O)O	ZPS	cyclobutane-1,1-dicarboxylic acid
+[CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-]	ZPT	trichloro(ethene)platinate(ii)
+c1ccc(cc1)C2CCN(CC2)S(=O)(=O)c3ccc(c(c3)F)C(=O)NCC(=O)O	ZPV	n-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](Cn4cccn4)O	ZPX	n-[(1r)-1-(4-fluorophenyl)ethyl]-n'-[(2s,3s)-3-hydroxy-1-phenyl-4-(1h-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
+CCOC(=O)c1cnn(c1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccc(cc4)F)O	ZPY	ethyl 1-{(2s,3s)-3-[(3-{[(1r)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1h-pyrazole-4-carboxylate
+C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](Cn4cc(nn4)[C@H](C)O)O	ZPZ	n-[(1r)-1-(4-fluorophenyl)ethyl]-n'-[(2s,3s)-3-hydroxy-4-{4-[(1s)-1-hydroxyethyl]-1h-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
+c1cc(ccc1C2CCN(CC2)S(=O)(=O)c3ccc(nc3)C(=O)NCC(=O)O)Cl	ZQ1	n-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine
+CCCCCCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O	ZQ4	2,6-anhydro-1-deoxy-1-[(s)-hydroxy{[(4r,8s,12r,16r,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-d-glycero-d-galacto-heptitol
+CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)(C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(F)F)O	ZQ7	2,6-anhydro-1-deoxy-1,1-difluoro-1-[(r)-hydroxy{[(4s,8s,12s,16s,20s)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-d-glycero-d-galacto-heptitol
+CCc1csc(n1)c2cnc[nH]2	ZQA	4-ethyl-2-(1h-imidazol-5-yl)-1,3-thiazole
+CSc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3	ZQC	4-methylsulfanyl-~{n}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
+Cc1cc(no1)[C@@H]2CCCN2S(=O)(=O)C	ZQD	3-[(2s)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole
+c1cnc([nH]1)CCCN	ZQG	3-(1h-imidazol-2-yl)propan-1-amine
+CN1C(=O)C=C2CNCCC2=N1	ZQJ	2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2h)-one
+CC(C)Sc1ccccc1NC(=O)N	ZQM	n-{2-[(propan-2-yl)sulfanyl]phenyl}urea
+c1cc(sc1)[C@]23CN(C[C@H]2CSC(=N3)N)c4ncccn4	ZQS	(4ar,7ar)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
+c1ccc2c(c1)[C@@H]3[C@@H](C3(F)F)c4ccccc4C2N5CCN(CC5)C[C@H](COc6cccc7c6cccn7)O	ZQU	zosuquidar
+CCCc1cc2c(nc(nc2s1)OC)NCCc3ccc(cc3)OCc4[nH]nnn4	ZQY	2-methoxy-6-propyl-n-(2-{4-[(1h-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine
+[Zr+4]	ZR	zirconium ion
+Cc1c2ccn(c2ncn1)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)Oc4cc(c(c5c4CNCC5)F)C(F)F	ZR1	(1s,2s,3s,5r)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
+c1cc(c(cc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O)F)Cl	ZR4	7-[(5r)-5-c-(4-chloro-3-fluorophenyl)-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine
+COc1cnc(cn1)C(=O)Nc2ccc(c(c2)[C@]34CN(C[C@H]3CSC(=N4)N)c5ncc(cn5)F)F	ZR7	n-{3-[(4ar,7as)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4h)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide
+CC(C(=O)CF)NC(=O)[C@H](CCCNC(N)N)NC(=O)OCc1ccccc1	ZRA	benzoyl-arginine-alanine-fluoro-methyl ketone
+[O-][Zr]123(OP4(=O)O[Zr]5(O1)([O+]2[Zr](O4)(O3)(O5)([O-])([O-])[O-])([O-])([O-])[O-])([O-])[O-]	ZRC	oxo zirconium(iv) cluster
+c1cnsc1[C@]23CN(C[C@H]2CSC(=N3)N)c4ncc(cn4)F	ZRD	(4ar,7ar)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
+[H]/N=C(/NCCC[C@@H](C(=O)NC)NC(=O)C)\NC(=O)NC	ZRG	(2s)-2-acetamido-n-methyl-5-[[n-(methylcarbamoyl)carbamimidoyl]amino]pentanamide
+c1cnccc1c2cc3c(o2)C=CNC3=O	ZRK	2-(4-pyridinyl)furo[3,2-c]pyridin-4(5h)-one
+c1cnccc1c2cc3c(s2)C(=CNC3=O)Br	ZRL	7-bromo-2-pyridin-4-yl-5h-thieno[3,2-c]pyridin-4-one
+c1cc(ccc1C2=CNC(=O)c3c2sc(c3)c4ccncc4)O	ZRM	7-(4-hydroxyphenyl)-2-pyridin-4-yl-5h-thieno[3,2-c]pyridin-4-one
+c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(F)F	ZRO	2,6-dioxo-5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
+CCCCCCNc1ccc2c(c1)c(c(cn2)C(=O)NC)Nc3ccccc3	ZRP	4-anilino-6-(hexylamino)-n-methylquinoline-3-carboxamide
+c1cc(ccc1C(=O)O)n2cncn2	ZRS	4-(1h-1,2,4-triazol-1-yl)benzoic acid
+CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(c3Nc4ccccc4)C(=O)NC5CC5	ZRV	4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-n-cyclopropyl-7-fluoroquinoline-3-carboxamide
+O=[W]1234O[Zr]56O[W]78(=O)(O1)O[W]91%10(=O)O[W]%11%12(=O)(O2)O[W]2%13%14(=O)O%11P%11%15O9[W]9%16(=O)(O1)O[W]1%17(=O)(O7)O8P78O3[W]3(=O)(O4)(O2)O[W]24(=O)(O5)O7[W](O6)(O2)(O1)(O[W]12(=O)(O%17)O8[W](=O)(O4)(O3)(O1)O[W]13(=O)(O%13)O%11[W](=O)(O1)(O9)(O2)O[W]12(=O)(O%16)O%154[W](=O)(O%12)(O%10)(O1)O[W]4(=O)(O%14)(O3)O2)[O]	ZRW	w-zr-cluster
+[H]/N=C\1/c2ccccc2/C(=N/Nc3ccccc3)/N1	ZRY	(1z,3z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1h-isoindol-1-imine
+c1cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F	ZS0	3-(4-fluorobenzyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one
+[H]/N=C\1/c2ccccc2C(=N1)N	ZS1	(1z)-1-imino-1h-isoindol-3-amine
+CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c4ccccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6	ZS2	(4~{s})-4-[4-fluoranyl-3-(isoquinolin-1-ylmethylcarbamoyl)phenyl]-~{n}-(1~{h}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{h}-pyrimidine-5-carboxamide
+c1ccc2c(c1)nc(n2c3nc(nc(n3)N4CCOCC4)N5CCOCC5)C(F)F	ZS4	2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1h-benzimidazole
+c1ccc2c(c1)C(=NC2=O)N	ZS7	3-amino-1h-isoindol-1-one
+CC#CCCCCC[C@@](C)(C(=O)O)N	ZS8	(2s)-2-amino-2-methyldec-8-ynoic acid
+c1ccc\2c(c1)C(=N/C2=N\NC(=N)N)N	ZSA	(2z)-2-(3-amino-1h-isoindol-1-ylidene)hydrazine-1-carboximidamide
+CN(c1cc(cc(c1)C(=O)O)C(=O)O)S(=O)(=O)C	ZSC	5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
+Cc1c(c(on1)C)CN(C)Cc2cc3n(n2)CCN(C3)c4cc(ncn4)N	ZSD	6-[(8r)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4h)-yl]pyrimidin-4-amine
+CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N	ZSG	(8s)-5-(2-aminopyrimidin-4-yl)-n-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
+CSc1ccc(cc1)CNCCO	ZSJ	2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol
+c1cc(ccc1CSC(=N)N)CSC(=N)N	ZSM	(1,4-phenylene)bis(methylene) dicarbamimidothioate
+C(C(=O)N)N(C(=O)O)N	ZSN	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid
+c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)c[nH]n4)F	ZSO	5-{[(3s,4r)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2h-indazole
+C/C(=C(\C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O	ZSP	2-amino-6-[(1z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3h)-one
+[H]/N=C(/N)\S[C@H](C)c1ccc(cc1)Cl	ZSS	(1r)-1-(4-chlorophenyl)ethyl carbamimidothioate
+c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O	ZST	3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid
+COc1ccc(cc1)CNC(=O)c2ccccc2C[N@@H+](CC=C)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O	ZSV	(r)-[(2s)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium
+CC[C@@H](C)NC(=O)c1ccccc1C[N@@H+](CC=C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O	ZSW	(r)-[2-[[(2r)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2s)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium
+c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c4ccco4	ZSY	n-cyclopropyl-6-(furan-2-yl)-2-hydroxy-n-[(pyridin-2-yl)methyl]pyridine-3-carboxamide
+C[NH+](Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OCO4	ZT0	(4-carboxy-1,3-benzodioxol-5-yl)-n-{2-[(4-methoxybenzyl)carbamoyl]benzyl}-n-methylmethanaminium
+CC(C)N(CCCC[C@@H](C(=O)O)N)Cc1cncn1C	ZT1	n~6~-[(1-methyl-1h-imidazol-5-yl)methyl]-n~6~-propan-2-yl-l-lysine
+c1ccc\2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4	ZT2	5-[(e)-(2-oxo-2,3-dihydro-1h-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
+c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OCO4)O	ZT4	5-{(e)-[(2r)-2-hydroxy-2,3-dihydro-1h-inden-1-ylidene]methyl}-1,3-benzodioxole-4-carboxylic acid
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)C(=O)OC)O	ZTD	methyl 4-[({(4r)-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolyl}amino)methyl]benzoate
+CC1=CN(C(=O)NC1=O)C[C@@H](COP(=O)(O)O)O	ZTH	(s)-1'-(2',3'-dihydroxypropyl)-thymine
+c1cc(c(c(c1)F)F)O	ZTN	2,3-bis(fluoranyl)phenol
+CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C	ZTP	(2z,6z,10z,14z,18z,22z,26z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate
+c1cc(ccc1c2cc3ccc(cc3s2)O)O	ZTW	raloxifene core
+CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)C	ZTX	2-((4-(4-hydroxypiperidin-1-yl)phenyl)amino)-5,11-dimethyl-5h-benzo[e]pyrimido [5,4-b][1,4]diazepin-6(11h)-one
+C[C@H]([C@@H](C(=O)O)N)OC(C)(C)C	ZU0	o-tert-butyl-l-threonine
+CC(C)C[C@@H](C(=O)N[C@H](CCC(=O)C)C[C@@H]1CCNC1=O)NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc2ccccc2	ZU3	n-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-l-alanyl-n-[(1r)-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}pentyl]-l-leucinamide
+CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl	ZU4	1-(2-chlorobenzyl)-4-hexylpyridin-2(1h)-one
+C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)C1CC1)C[C@@H]2CCNC2=O)NC(=O)OCc3ccccc3)OC(C)(C)C	ZU5	n-[(benzyloxy)carbonyl]-o-tert-butyl-l-threonyl-n-[(1r)-4-cyclopropyl-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-yl]methyl}butyl]-l-leucinamide
+c1ccnc(c1)c2csc(n2)Nc3ccc(cn3)Cl	ZUF	~{n}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
+CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(cnc3)Oc4cccc(c4)Cl	ZUI	1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione
+c1cnc(nc1)CCC[C@H](C(=O)O)N	ZUK	5-pyrimidin-2-yl-d-norvaline
+Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)N(O)O)O	ZUN	(4r)-n-[4-(dihydroxyamino)benzyl]-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-l-prolinamide
+c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4	ZUQ	n-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide
+CN1c2c3c(c[nH]c3ncn2)C(=N1)N	ZVO	5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine
+c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCNCC6	ZVP	7-[7-oxo-5-(piperazin-1-yl)-7h-thieno[3,2-b]pyran-3-yl]-n-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
+C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F	ZVS	n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
+C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3Cl	ZVT	2-chloro-n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]benzamide
+C[C@@H](c1nnc(n1C)SCc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F	ZVU	n-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
+Cc1ccccc1OCCSc2nnc(n2C)[C@H](C)NC(=O)c3ccccc3C(F)(F)F	ZVV	n-[1-(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
+C[C@@H](c1nnc(n1Cc2ccc(cc2)F)SCCOc3ccc(cc3)F)NC(=O)c4ccccc4C(F)(F)F	ZVW	n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4h-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
+C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3c(cccc3F)F	ZVX	2,6-difluoro-n-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4h-1,2,4-triazol-3-yl)ethyl]benzamide
+c1ccnc(c1)N2CCN(CC2)Cc3cc(ccc3c4ccc(cc4)C#N)OCC(=O)O	ZVY	2-[4-(4-cyanophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetic acid
+CNC(=O)COc1ccc(c(c1)CN2CCN(CC2)c3ccccn3)c4ccc(cc4)C#N	ZVZ	2-[4-(4-cyanophenyl)-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}phenoxy]-n-methylacetamide
+c1ccc(cc1)Cc2cc3c(s2)NC(=O)N(C3=O)O	ZW2	6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1h,3h)-dione
+CC(=O)Nc1cn2cc(ccc2n1)/C=C\3/C(=O)NC(=O)S3	ZW3	n-{6-[(z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]imidazo[1,2-a]pyridin-2-yl}acetamide
+CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]	ZWI	3-[decyl(dimethyl)ammonio]propane-1-sulfonate
+CC(C)(C=C)c1c(c2ccccc2[nH]1)Cc3c[n+]4c(c(n3)[O-])CC=C4	ZWP	3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-8h-pyrrolo[1,2-a]pyrazin-5-ium-1-olate
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CN)O)O)O	ZWZ	(2r,3r,4r,5r,6s)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol
+C1C[C@@H](CCNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)(=O)O	ZX0	(3r)-1-[(4s)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-l-proline
+C1C[C@H](CCNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)(=O)O	ZX1	(3r)-1-[(4r)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-l-proline
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)CCc2c[nH]c3c2cccc3)O)O)O	ZX5	3-(1h-indol-3-yl)-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}propanamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)Cc2c[nH]c3c2cccc3)O)O)O	ZX6	2-(1h-indol-3-yl)-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3[nH]2)O)O)O	ZX7	n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1h-indole-2-carboxamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3o2)O)O)O	ZX8	n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1-benzofuran-2-carboxamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)[C@H](c2ccccc2)C3CCCC3)O)O)O	ZX9	(2s)-2-cyclopentyl-2-phenyl-n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}ethanamide
+C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)C)O)O)O	ZXA	n-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide
+c1ccc(cc1)C[C@H]2[C@H]([C@H]([C@@H](CN2)O)O)O	ZXB	(2s,3r,4s,5r)-2-benzylpiperidine-3,4,5-triol
+c1cc(sc1)C(=O)Nc2c3c([nH]cn3)ncn2	ZXC	n-(9h-purin-6-yl)thiophene-2-carboxamide
+CC(C)[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O	ZXD	(2s,3r,4s,5r)-2-(1-methylethyl)piperidine-3,4,5-triol
+CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)OS(=O)(=O)O)Br	ZXG	2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate
+c1cc(ccc1CN)I	ZXI	1-(4-iodophenyl)methanamine
+B([C@H](Cn1cc(nn1)C(=O)O)NC(=O)Cc2cccs2)(O)O	ZXM	1-{(2r)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1h-1,2,3-triazole-4-carboxylic acid
+c1cc(ccc1C[C@@H](C(=O)NCCCOC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)NC(=O)/C=C/c5ccc(c(c5)O)O)O	ZXU	n-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-1-benzopyran-3-yl]oxy}propyl)-nalpha-[(2e)-3-(3,4-dihydroxyphenyl )prop-2-enoyl]-l-tyrosinamide
+c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NC[C@@H](C=O)N)O)O)N	ZXW	5'-o-[(s)-{[(r)-{[(r)-[(2-{[(2s)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
+CC(C)[C@@H](C(=O)N[C@@H](Cc1cccc(c1)O)C(=O)N2CCC[C@H](N2)C(=O)OC)NC(=O)C	ZXX	methyl (3~{s})-1-[(2~{s})-2-[[(2~{s})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate
+c1cc(c(cc1/C=C/C(=O)N2CCC[C@H]2C(=O)NCCCOC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O	ZXY	n-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-1-benzopyran-3-yl]oxy}propyl)-1-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-l-prolinamide
+CC1=CC(=O)N(c2c1cccc2)C	ZXZ	1,4-dimethylquinolin-2(1h)-one
+CCc1ccnc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)C(F)(F)F)O	ZY0	n-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-4-ethyl-8-(2-oxopyrrolidin-1-yl)quinoline-6-carboxamide
+CCc1cn2c3c1cc(cc3[N@](S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O	ZY1	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1h-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
+CCN1CCN2CCS(=O)(=O)[N@](c3c2c1cc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O)C	ZY2	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-8-ethyl-1-methyl-3,4,7,8-tetrahydro-1h,6h-[1,2,5]thiadiazepino[5,4,3-de]quinoxaline-10-carboxamide 2,2-dioxide
+CCNc1cc(cc2c1CCCS(=O)(=O)N2C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O	ZY3	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-6-(ethylamino)-1-methyl-1,3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide
+CCn1cc2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)C(CNC5CCOCC5)(O)O	ZY4	n-[(1s)-1-benzyl-2,2-dihydroxy-3-(tetrahydro-2h-pyran-4-ylamino)propyl]-6-ethyl-1-methyl-1,3,4,6-tetrahydro[1,2]thiazepino[5,4,3-cd]indole-8-carboxamide 2,2-dioxide
+COc1cc(ccc1\C=C\2/CCCN=C2c3cccnc3)O	ZY5	4-[(e)-5,6-dihydro-2,3'-bipyridin-3(4h)-ylidenemethyl]-3-methoxyphenol
+c1ccc(cc1)c2cnc3c(c2N4CCO[C@H](C4)CN)cn[nH]3	ZY6	1-[(2s)-4-(5-phenyl-1h-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
+COc1ccc(c(c1)OC)\C=C\2/CCCN=C2c3cccnc3	ZY7	(3e)-3-[(2,4-dimethoxyphenyl)methylidene]-3,4,5,6-tetrahydro-2,3'-bipyridine
+c1cc(nc(c1)C(=O)O)CN	ZY9	6-(aminomethyl)pyridine-2-carboxylic acid
+CC(C(=O)CF)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc2ccccc2	ZYA	benzoyl-tyrosine-alanine-fluoro-methyl ketone
+c1cc(ccc1/C(=N/O)/N)F	ZYB	4-fluorobenzamidoxime
+CCOC(=O)/C=C/c1ccc(c(c1)OC)O	ZYC	ethyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
+CC(C)(CCCCCC[C@@]12CCC[C@H]1/C(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)/CCC2)O	ZYD	(1r,3s,5z)-5-{(2e)-2-[(3ar,7as)-7a-(7-hydroxy-7-methyloctyl)octahydro-4h-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
+CCn1ccc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O	ZYE	n-{(1s,2r)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-1-ethyl-4-(2-oxopyrrolidin-1-yl)-1h-indole-6-carboxamide
+C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)OC(=O)[C@H](CCCCN(C(=O)/C=C\CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O	ZYF	(9z)-11-{hydroxy[(5s)-6-{[(1s)-3-{[(3s)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid
+C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)O[C@H]([C@H](CCCCN(C(=O)CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O)O	ZYG	9-{hydroxy[(5s,6r)-6-hydroxy-6-{[(1s)-3-{[(3s)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid
+c1cnc(nc1)N2CCN(CC2)C3CN(C3)C(=O)c4ccc5c(c4)oc(n5)C6CCCCC6	ZYH	(2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone
+c1cc2c(cc1Cl)nc(o2)NC(=O)CC3CCCC3	ZYI	n-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
+COc1ccc(cc1OC)/C=N/O[C@@H]2C[C@H](NC2)C(=O)O	ZYJ	(4r)-4-({[(1e)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-l-proline
+COc1ccc(cc1OC)C(=O)NO[C@@H]2C[C@H](NC2)C(=O)O	ZYK	(4r)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-l-proline
+CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O	ZYL	1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid
+c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O)O	ZYM	2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid
+CC(C)N1C(=C2CCN(C(=O)C2=C(C1=O)O)Cc3ccc(c(c3)Cl)F)C(=O)N(C)C	ZYN	6-(3-chloro-4-fluorobenzyl)-4-hydroxy-n,n-dimethyl-2-(1-methylethyl)-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide
+CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3N4CC[N@](S4(=O)=O)C)Cc5ccc(c(c5)Cl)F)C	ZYO	(6s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2h,6h)-dione
+c1cc2c(c(c(nc2N3CCCCS3(=O)=O)C(=O)NCc4ccc(cc4)F)O)nc1	ZYP	5-(1,1-dioxido-1,2-thiazinan-2-yl)-n-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
+CC(=O)Nc1nc2c(s1)C(=O)NCCC2	ZYQ	n-(4-oxo-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
+C1CCc2c(c3c(s2)N=CNC3=O)C1	ZYR	5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one
+CC(C)(C)Nc1nc(c(s1)C(=O)c2ccccc2)N	ZYS	[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone
+CSc1[nH]c(c(n1)O)Cc2cccs2	ZYT	2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1h-imidazol-4-ol
+c1[nH]c2c(n1)c(ncn2)N3CCOCC3	ZYU	6-morpholin-4-yl-9h-purine
+c1[nH]c2c(n1)ncnc2N3CCO[C@H](C3)CN	ZYV	1-[(2s)-4-(7h-purin-6-yl)morpholin-2-yl]methanamine
+c1c2c(c(cnc2[nH]n1)Br)N3CCO[C@H](C3)CN	ZYW	1-[(2s)-4-(5-bromo-1h-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
+c1cc(ccc1CCN)S(=O)(=O)N	ZYX	4-(2-aminoethyl)benzenesulfonamide
+C[C@H]1CN(C(=O)c2n1c3c(c2O)C(=O)N(N=C3N(C)S(=O)(=O)C)Cc4ccc(cc4)F)C(C)C	ZYY	n-[(6s)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-8-(1-methylethyl)-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-n-methylmethanesulfonamide
+CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)C[Se](=O)O)C(=O)OC	ZYZ	(4-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
+c1cc(c(nc1)Nc2ccc(cc2)Cl)C(=O)O	ZZ0	2-(4-chloro-phenylamino)-nicotinic acid
+CC1=CC(=O)Oc2c1cccc2	ZZ1	4-methyl-2h-chromen-2-one
+Cc1cc(nc(n1)N)OCCOC	ZZ2	4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
+Cc1nc(nc(n1)SC)N	ZZ3	4-methyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine
+c1ccc(cc1)/N=N/c2cnc(nc2c3ccc(cc3Cl)Cl)N	ZZ4	4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine
+CCOc1ccc(cc1)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N	ZZ5	3,6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
+CCNC(=O)c1cc2c(nc(nc2s1)N)c3ccc(cc3Cl)Cl	ZZ6	2-amino-4-(2,4-dichlorophenyl)-n-ethylthieno[2,3-d]pyrimidine-6-carboxamide
+CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C	ZZ7	(2r,4s)-2-[(r)-{[(2r)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
+CC(=O)Nc1ccccc1C(=O)O	ZZ8	2-(acetylamino)benzoic acid
+CCCCCCCCCC[C@H](O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O	ZZ9	5'-o-[(s)-hydroxy{[(1r)-1-hydroxyundecyl]oxy}phosphoryl]adenosine
+c1ccc(cc1)n2cc(cn2)C(=O)O	ZZA	1-phenyl-1h-pyrazole-4-carboxylic acid
+[B@@-]12(c3cc(c(cc3CO1)F)NCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	ZZB	[(1s,3s,5r,6r,8r)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
+CC(=O)[C@@H]([C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O	ZZC	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3r)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate
+c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N	ZZD	s-trityl-l-cysteine
+CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N	ZZE	5-{[3,5-diethyl-1-(2-hydroxyethyl)-1h-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile 
+Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc3)S(=O)(=O)N	ZZF	4-({4-[(2,6-dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide
+Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c(c(c4)OC)OC)OC	ZZG	4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-n-(3,4,5-trimethoxyphenyl)pyridin-2-amine
+c1ccc(cc1)Cc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O	ZZH	(2s)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
+CCCN(CCC)C(=O)[C@@H]([C@@H](CO)O)O	ZZI	(2r,3r)-2,3,4-trihydroxy-n,n-dipropylbutanamide
+C[C@@H](C(=O)N)NC	ZZJ	n^2^-methyl-l-alaninamide
+c1cc(c2c(c1)OCO2)c3cc(c(nc3)N)c4ccc(cc4)C(=O)N	ZZK	4-[2-amino-5-(1,3-benzodioxol-4-yl)pyridin-3-yl]benzamide
+c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F	ZZL	4-{[9-chloro-7-(2,6-difluorophenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid
+CC(C)n1c2c(c(n1)C#Cc3cccnc3)c(ncn2)N	ZZM	1-(1-methylethyl)-3-(pyridin-3-ylethynyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
+Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6cc(cc(c6)F)O)c(ncn5)N	ZZN	2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one
+Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6ccc(c(c6)F)O)c(ncn5)N	ZZO	2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3h)-one
+COC1=CC(=C/C(=N\c2c(nc3ccccc3n2)NS(=O)(=O)c4ccc(cc4)F)/C1)OC	ZZP	n-(3-{[(1z)-3,5-dimethoxycyclohexa-2,4-dien-1-ylidene]amino}quinoxalin-2-yl)-4-fluorobenzenesulfonamide
+COc1ccccc1N2C(=O)C3=C(CCCC3)N=C2SCC(=O)Nc4ccc5c(c4)nccn5	ZZQ	2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-n-quinoxalin-6-ylacetamide
+c1([nH][n+]2c(n[nH]c2n1)N)N	ZZR	3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium
+c1nc(nc(n1)N)N	ZZS	1,3,5-triazine-2,4-diamine
+Cc1ccc(c(c1)N)OC	ZZT	2-methoxy-5-methylaniline
+C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O	ZZU	(2s,3s)-3-hydroxyarginine
+C[N@@](c1c2cccnc2c(c3c1CN(C3=O)Cc4ccc(cc4)F)O)S(=O)(=O)C	ZZV	n-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6h-pyrrolo[3,4-g]quinolin-5-yl]-n-methylmethanesulfonamide
+c1ccc2c(c1)c3cc(ncc3n2Cc4ccc(cc4)F)C(=O)NO	ZZW	9-(4-fluorobenzyl)-n-hydroxy-9h-beta-carboline-3-carboxamide
+CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3C(=O)NC)Cc4ccc(c(c4)Cl)F)C	ZZX	(6s)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-n,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide
+c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)n2ccc3c2cc(cn3)C(=O)N	ZZY	1-[(2-nitrophenyl)sulfonyl]-1h-pyrrolo[3,2-b]pyridine-6-carboxamide
+C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C=O	ZZZ	6-formyltetrahydropterin
diff --git a/graphein/protein_ligand/config.py b/graphein/protein_ligand/config.py
index 7a080e1cc..7e97859ea 100644
--- a/graphein/protein_ligand/config.py
+++ b/graphein/protein_ligand/config.py
@@ -17,7 +17,7 @@
 from graphein.protein_ligand.edges.distance import add_peptide_bonds
 from graphein.protein_ligand.features.nodes.amino_acid import meiler_embedding
 
-from graphein.protein_ligand.edges.atomic import add_atom_bonds
+from graphein.protein_ligand.edges.atomic import add_atom_bonds, add_atomic_edges
 from graphein.protein_ligand.edges.distance import (
     add_distance_threshold_ligand,
     add_fully_connected_edges_ligand,
@@ -107,7 +107,7 @@ class GetContactsConfig(BaseModel):
 
 class ProteinLigandGraphConfig(BaseModel):
     """
-    Config Object for Protein Structure Graph Construction.
+    Config Object for Protein-ligand Structure Graph Construction.
 
     If you encounter a problematic structure, perusing https://www.umass.edu/microbio/chime/pe_beta/pe/protexpl/badpdbs.htm may provide some additional insight.
     PDBs are notoriously troublesome and this is an excellent overview.
@@ -138,12 +138,24 @@ class ProteinLigandGraphConfig(BaseModel):
         override the default sequencing of processing steps provided by Graphein. We refer users to our low-level API
         tutorial for more details.
     :type protein_df_processing_functions: Optional[List[Callable]]
-    :param edge_construction_functions: List of functions that take an ``nx.Graph`` and return an ``nx.Graph`` with desired
-        edges added. Prepared edge constructions can be found in :ref:`graphein.protein.edges`
+    :param protein_edge_construction_functions: List of functions that take an ``nx.Graph`` and return an ``nx.Graph`` with desired
+        edges added. Prepared edge constructions can be found in :ref:`graphein.protein_ligand.edges`
     :type edge_construction_functions: List[Callable]
-    :param node_metadata_functions: List of functions that take an ``nx.Graph``
+    :param protein_node_metadata_functions: List of functions that take an ``nx.Graph``
     :type node_metadata_functions: List[Callable], optional
-    :param edge_metadata_functions: List of functions that take an
+    :param protein_edge_metadata_functions: List of functions that take an
+    :type edge_metadata_functions: List[Callable], optional
+    :param ligand_edge_construction_functions: List of functions that take an ``nx.Graph`` and return an ``nx.Graph`` with desired
+    edges added. Prepared edge constructions can be found in :ref:`graphein.protein_ligand.edges`
+    :type edge_construction_functions: List[Callable]
+    :param ligand_node_metadata_functions: List of functions that take an ``nx.Graph``
+    :type node_metadata_functions: List[Callable], optional
+    :param ligand_edge_metadata_functions: List of functions that take an
+    :type edge_metadata_functions: List[Callable], optional
+    :param protein_ligand_edge_construction_functions: List of functions that take an ``nx.Graph`` and return an ``nx.Graph`` with desired
+    edges added. Prepared edge constructions can be found in :ref:`graphein.protein_ligand.edges`
+    :type edge_construction_functions: List[Callable]
+    :param protein_ligand_edge_metadata_functions: List of functions that take an
     :type edge_metadata_functions: List[Callable], optional
     :param graph_metadata_functions: List of functions that take an ``nx.Graph`` and return an ``nx.Graph`` with added
         graph-level features and metadata.
@@ -170,7 +182,8 @@ class ProteinLigandGraphConfig(BaseModel):
     # Graph construction functions for protein
     protein_df_processing_functions: Optional[List[Callable]] = None
     protein_edge_construction_functions: List[Union[Callable, str]] = [
-        add_peptide_bonds
+        add_peptide_bonds, 
+        add_atomic_edges, 
     ]
     protein_node_metadata_functions: Optional[List[Union[Callable, str]]] = [
         meiler_embedding
@@ -180,11 +193,10 @@ class ProteinLigandGraphConfig(BaseModel):
 
     # Graph construction functions for ligand
     ligand_edge_construction_functions: List[Union[Callable, str]] = [
+        add_atom_bonds,
         add_fully_connected_edges_ligand,
         add_k_nn_edges_ligand,
         add_distance_threshold_ligand,
-        # TODO: infer bond from pdb? do we have to save to pdb and infer bond or better way?
-        # add_atom_bonds,
     ]
     ligand_node_metadata_functions: Optional[List[Union[Callable, str]]] = [
         atom_type_one_hot
diff --git a/graphein/protein_ligand/edges/atomic.py b/graphein/protein_ligand/edges/atomic.py
index 539f95539..81259c51a 100644
--- a/graphein/protein_ligand/edges/atomic.py
+++ b/graphein/protein_ligand/edges/atomic.py
@@ -28,26 +28,23 @@
 # Todo There are other check and balances that can be implemented from here: https://www.daylight.com/meetings/mug01/Sayle/m4xbondage.html
 
 def add_atom_bonds(G: nx.Graph) -> nx.Graph:
-    """Adds atomic bonds to a molecular graph.
+    """Adds atomic bonds to a ligand part of protein-ligand graph.
 
-    :param G: Molecular graph to add atomic bond edges to.
+    :param G: protein-ligand graph to add atomic bond edges to.
     :type G: nx.Graph
-    :return: Molecular graph with atomic bonds added.
+    :return: protein-ligand graph with atomic bonds added.
     :rtype: nx.Graph
     """
-    for bond in G.graph["rdmol"].GetBonds():
-        n1, n2 = bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()
-        sym1, sym2 = (
-            G.graph["rdmol"].GetAtoms()[n1].GetSymbol(),
-            G.graph["rdmol"].GetAtoms()[n2].GetSymbol(),
-        )
-        n1 = f"{sym1}:{str(n1)}"
-        n2 = f"{sym2}:{str(n2)}"
-        if G.has_edge(n1, n2):
-            G.edges[n1, n2]["kind"].add("bond")
-            G.edges[n1, n2]["bond"] = bond
-        else:
-            G.add_edge(n1, n2, kind={"bond"}, bond=bond)
+    for idx, ligand in enumerate(G.graph["ligands_rdmol"]):
+        for bond in ligand.GetBonds():
+            n1, n2 = bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()
+            n1 = G.graph["ligands_df"][idx].iloc[n1]["node_id"]
+            n2 = G.graph["ligands_df"][idx].iloc[n2]["node_id"]
+            if G.has_edge(n1, n2):
+                G.edges[n1, n2]["kind"].add("ligand_bond")
+                G.edges[n1, n2]["ligand_bond"] = bond
+            else:
+                G.add_edge(n1, n2, kind={"ligand_bond"}, bond=bond)
     return G
 
 def assign_bond_states_to_dataframe(df: pd.DataFrame) -> pd.DataFrame:
@@ -118,16 +115,16 @@ def add_atomic_edges(G: nx.Graph, tolerance: float = 0.56) -> nx.Graph:
     :return: Atomic graph with edges between bonded atoms added
     :rtype: nx.Graph
     """
-    dist_mat = compute_distmat(G.graph["pdb_df"])
+    dist_mat = compute_distmat(G.graph["protein_df"])
 
     # We assign bond states to the dataframe, and then map these to covalent radii
-    G.graph["pdb_df"] = assign_bond_states_to_dataframe(G.graph["pdb_df"])
-    G.graph["pdb_df"] = assign_covalent_radii_to_dataframe(G.graph["pdb_df"])
+    G.graph["protein_df"] = assign_bond_states_to_dataframe(G.graph["protein_df"])
+    G.graph["protein_df"] = assign_covalent_radii_to_dataframe(G.graph["protein_df"])
 
     # Create a covalent 'distance' matrix by adding the radius arrays with its transpose
     covalent_radius_distance_matrix = np.add(
-        np.array(G.graph["pdb_df"]["covalent_radius"]).reshape(-1, 1),
-        np.array(G.graph["pdb_df"]["covalent_radius"]).reshape(1, -1),
+        np.array(G.graph["protein_df"]["covalent_radius"]).reshape(-1, 1),
+        np.array(G.graph["protein_df"]["covalent_radius"]).reshape(1, -1),
     )
 
     # Add the tolerance
@@ -146,10 +143,10 @@ def add_atomic_edges(G: nx.Graph, tolerance: float = 0.56) -> nx.Graph:
     inds = zip(*np.where(~np.isnan(t_distmat)))
     for i in inds:
         length = t_distmat[i[0]][i[1]]
-        node_1 = G.graph["pdb_df"]["node_id"][i[0]]
-        node_2 = G.graph["pdb_df"]["node_id"][i[1]]
-        chain_1 = G.graph["pdb_df"]["chain_id"][i[0]]
-        chain_2 = G.graph["pdb_df"]["chain_id"][i[1]]
+        node_1 = G.graph["protein_df"]["node_id"][i[0]]
+        node_2 = G.graph["protein_df"]["node_id"][i[1]]
+        chain_1 = G.graph["protein_df"]["chain_id"][i[0]]
+        chain_2 = G.graph["protein_df"]["chain_id"][i[1]]
 
         # Check nodes are in graph
         if not (G.has_node(node_1) and G.has_node(node_2)):
@@ -339,10 +336,10 @@ def assign_bond_orders(G: nx.Graph) -> nx.Graph:
     print(bond_angles)
 
     # Assign Bond angles to dataframe
-    G.graph["pdb_df"]["bond_angles"] = G.graph["pdb_df"]["node_id"].map(
+    G.graph["protein_df"]["bond_angles"] = G.graph["protein_df"]["node_id"].map(
         bond_angles
     )
-    print(G.graph["pdb_df"].to_string())
+    print(G.graph["protein_df"].to_string())
 
     # Assign Hybridisation state from Bond Angles
     hybridisation_state = {
@@ -355,7 +352,7 @@ def assign_bond_orders(G: nx.Graph) -> nx.Graph:
         else "UNK"
         for n, d in bond_angles.items()
     }
-    G.graph["pdb_df"]["bond_angles"] = G.graph["pdb_df"]["node_id"].map(
+    G.graph["protein_df"]["bond_angles"] = G.graph["protein_df"]["node_id"].map(
         hybridisation_state
     )
 
diff --git a/graphein/protein_ligand/edges/distance.py b/graphein/protein_ligand/edges/distance.py
index dcf4a7301..9aeb1ad54 100644
--- a/graphein/protein_ligand/edges/distance.py
+++ b/graphein/protein_ligand/edges/distance.py
@@ -45,7 +45,7 @@ def compute_distmat(coords: np.ndarray) -> np.ndarray:
     Design choice: passed in a DataFrame to enable easier testing on
     dummy data.
 
-    :param coords: pd.Dataframe containing molecule structure. Must contain columns ``["x_coord", "y_coord", "z_coord"]``.
+    :param coords: pd.Dataframe containing structure. Must contain columns ``["x_coord", "y_coord", "z_coord"]``.
     :type coords: pd.DataFrame
     :return: np.ndarray of euclidean distance matrix.
     :rtype: np.ndarray
@@ -68,9 +68,9 @@ def get_interacting_atoms(angstroms: float, distmat: np.ndarray) -> np.ndarray:
 
 def add_distance_threshold_ligand(G: nx.Graph, threshold: float = 5.0):
     """
-    Adds edges to any nodes within a given distance of each other.
+    Adds edges to ligand nodes within a given distance of each other.
 
-    :param G: molecule structure graph to add distance edges to
+    :param G: ligand part of protein-ligand structure graph to add distance edges to
     :type G: nx.Graph
     :param threshold: Distance in angstroms, below which two nodes are connected.
     :type threshold: float
@@ -92,15 +92,17 @@ def add_distance_threshold_ligand(G: nx.Graph, threshold: float = 5.0):
                 G.edges[n1, n2]["kind"].add("ligand_distance_threshold")
             else:
                 G.add_edge(n1, n2, kind={"ligand_distance_threshold"})
+
+    return G
         
 
 def add_fully_connected_edges_ligand(
     G: nx.Graph,
 ):
     """
-    Adds fully connected edges to nodes.
+    Adds fully connected edges to ligand nodes.
 
-    :param G: Molecule structure graph to add distance edges to.
+    :param G: ligand part of protein-ligand structure graph to add distance edges to.
     :type G: nx.Graph
     """
 
@@ -111,6 +113,8 @@ def add_fully_connected_edges_ligand(
             else:
                 G.add_edge(n1, n2, kind={"ligand_fully_connected"})
 
+    return G
+
 
 def add_k_nn_edges_ligand(
     G: nx.Graph,
@@ -121,9 +125,9 @@ def add_k_nn_edges_ligand(
     include_self: Union[bool, str] = False,
 ):
     """
-    Adds edges to nodes based on K nearest neighbours.
+    Adds edges to ligand nodes based on K nearest neighbours.
 
-    :param G: Molecule structure graph to add distance edges to.
+    :param G: ligand part of protein-ligand structure graph to add distance edges to.
     :type G: nx.Graph
     :param k: Number of neighbors for each sample.
     :type k: int
@@ -164,13 +168,15 @@ def add_k_nn_edges_ligand(
                 G.edges[n1, n2]["kind"].add(f"ligand_k_nn_{k}")
             else:
                 G.add_edge(n1, n2, kind={f"ligand_k_nn_{k}"})
+    
+    return G
 
 
 def add_distance_threshold_protein_ligand(G: nx.Graph, threshold: float = 5.0):
     """
-    Adds edges to any nodes within a given distance of each other.
+    Adds edges to protein and ligand nodes within a given distance of each other.
 
-    :param G: molecule structure graph to add distance edges to
+    :param G: protein-ligand structure graph to add distance edges to
     :type G: nx.Graph
     :param threshold: Distance in angstroms, below which two nodes are connected.
     :type threshold: float
@@ -192,15 +198,17 @@ def add_distance_threshold_protein_ligand(G: nx.Graph, threshold: float = 5.0):
                 G.edges[n1, n2]["kind"].add("protein_ligand_distance_threshold")
             else:
                 G.add_edge(n1, n2, kind={"protein_ligand_distance_threshold"})
+    
+    return G
 
 
 def add_fully_connected_edges_protein_ligand(
     G: nx.Graph,
 ):
     """
-    Adds fully connected edges to nodes.
+    Adds fully connected edges to protein and ligand nodes.
 
-    :param G: Molecule structure graph to add distance edges to.
+    :param G: protein-ligand structure graph to add distance edges to.
     :type G: nx.Graph
     """
 
@@ -210,9 +218,9 @@ def add_fully_connected_edges_protein_ligand(
                 G.edges[n1, n2]["kind"].add("protein_ligand_fully_connected")
             else:
                 G.add_edge(n1, n2, kind={"protein_ligand_fully_connected"})
+    
+    return G
 
-# TODO: knn select neighbors based on distance between the node with other nodes, rather than pure distance
-# it sounds okay but not fit for protein_ligand knn since we are generating edge cross protein and ligand not only in one side
 def add_k_nn_edges_protein_ligand(
     G: nx.Graph,
     k: int = 1,
@@ -222,9 +230,9 @@ def add_k_nn_edges_protein_ligand(
     include_self: Union[bool, str] = False,
 ):
     """
-    Adds edges to nodes based on K nearest neighbours.
+    Adds edges to protein and ligand nodes based on K nearest neighbours.
 
-    :param G: Molecule structure graph to add distance edges to.
+    :param G: protein-ligand structure graph to add distance edges to.
     :type G: nx.Graph
     :param k: Number of neighbors for each sample.
     :type k: int
@@ -245,8 +253,9 @@ def add_k_nn_edges_protein_ligand(
     :rtype: nx.Graph
     """
 
-    for ligand in G.graph["ligands_coords"]:        
-        dist_mat = cdist(G.graph["protein_coords"], ligand)
+    for idx, ligand in enumerate(G.graph["ligands_coords"]):
+        coords = np.concatenate([G.graph["protein_coords"], ligand])      
+        dist_mat = cdist(coords, coords)
 
         nn = kneighbors_graph(
             X=dist_mat,
@@ -258,16 +267,24 @@ def add_k_nn_edges_protein_ligand(
         )
 
         # Create iterable of node indices
-        outgoing = np.repeat(np.array(range(len(G.graph["protein_coords"]))), k)
-        outgoing = [list(G.nodes())[i] for i in outgoing]
-        incoming = [list(G.nodes())[i] for i in nn.indices]
+        outgoing = np.repeat(np.array(range(len(coords))), k)
+        incoming = nn.indices
         interacting_nodes = list(zip(outgoing, incoming))
         log.info(f"Found: {len(interacting_nodes)} KNN edges")
         for n1, n2 in interacting_nodes:
+            if n1 >= len(G.graph["protein_coords"]):
+                n1 = G.graph["ligands_df"][idx].iloc[n1-len(G.graph["protein_coords"])]["node_id"]
+            else:
+                n1 = G.graph["protein_df"].iloc[n1]["node_id"]
+            if n2 >= len(G.graph["protein_coords"]):
+                n2 = G.graph["ligands_df"][idx].iloc[n2-len(G.graph["protein_coords"])]["node_id"]
+            else:
+                n2 = G.graph["protein_df"].iloc[n2]["node_id"]
             if G.has_edge(n1, n2):
                 G.edges[n1, n2]["kind"].add(f"protein_ligand_k_nn_{k}")
             else:
                 G.add_edge(n1, n2, kind={f"protein_ligand_k_nn_{k}"})
+    return G
 
 def add_sequence_distance_edges(
     G: nx.Graph, d: int, name: str = "sequence_edge"
diff --git a/graphein/protein_ligand/graphs.py b/graphein/protein_ligand/graphs.py
index 4b820854a..ef677fa27 100644
--- a/graphein/protein_ligand/graphs.py
+++ b/graphein/protein_ligand/graphs.py
@@ -21,16 +21,18 @@
 from Bio.PDB.Polypeptide import three_to_one
 from biopandas.pdb import PandasPdb
 
-import rdkit
-import rdkit.Chem as Chem
-import rdkit.Chem.AllChem as AllChem
+from graphein.protein.graphs import (
+    remove_insertions,
+    process_dataframe,
+)
 
 from graphein.protein_ligand.config import (
     ProteinLigandGraphConfig,
 )
-from graphein.protein_ligand.edges.distance import compute_distmat
 from graphein.protein_ligand.utils import (
     ProteinLigandGraphConfigurationError,
+)
+from graphein.protein.utils import (
     compute_rgroup_dataframe,
     filter_dataframe,
     get_protein_name_from_filename,
@@ -40,9 +42,20 @@
     annotate_edge_metadata,
     annotate_graph_metadata,
     annotate_node_metadata,
-    compute_edges,
 )
-from prody import parsePDB, writePDBStream
+
+try:
+    import rdkit
+    import rdkit.Chem as Chem
+    import rdkit.Chem.AllChem as AllChem
+except ImportError:
+    import_message("graphein.protein_ligand.graphs", "rdkit", "rdkit", True)
+
+try:
+    from prody import parsePDB, writePDBStream
+except ImportError:
+    import_message("graphein.protein_ligand.graphs", "prody", "prody", True)
+
 
 logging.basicConfig(level="DEBUG")
 log = logging.getLogger(__name__)
@@ -83,18 +96,14 @@ def read_pdb_to_dataframe(
 
     # Assign Node IDs to dataframes
     atomic_df.df["ATOM"]["node_id"] = (
-        "protein:"
-        + atomic_df.df["ATOM"]["chain_id"].apply(str)
+        atomic_df.df["ATOM"]["chain_id"].apply(str)
         + ":"
         + atomic_df.df["ATOM"]["residue_name"]
         + ":"
         + atomic_df.df["ATOM"]["residue_number"].apply(str)
-        + ":"
-        + atomic_df.df["ATOM"]["atom_number"].apply(str)
     )
     atomic_df.df["HETATM"]["node_id"] = (
-        "ligand:"
-        + atomic_df.df["HETATM"]["residue_name"]
+        atomic_df.df["HETATM"]["residue_name"]
         + ":"
         + atomic_df.df["HETATM"]["element_symbol"]
         + ":"
@@ -112,198 +121,6 @@ def read_pdb_to_dataframe(
         print(atomic_df)
     return atomic_df
 
-
-def deprotonate_structure(df: pd.DataFrame) -> pd.DataFrame:
-    """Remove protons from PDB dataframe.
-
-    :param df: Atomic dataframe.
-    :type df: pd.DataFrame
-    :returns: Atomic dataframe with all ``atom_name == "H"`` removed.
-    :rtype: pd.DataFrame
-    """
-    log.debug(
-        "Deprotonating protein. This removes H atoms from the pdb_df dataframe"
-    )
-    return filter_dataframe(
-        df, by_column="atom_name", list_of_values=["H"], boolean=False
-    )
-
-
-def convert_structure_to_centroids(df: pd.DataFrame) -> pd.DataFrame:
-    """Overwrite existing ``(x, y, z)`` coordinates with centroids of the amino acids.
-
-    :param df: Pandas Dataframe protein structure to convert into a dataframe of centroid positions.
-    :type df: pd.DataFrame
-    :return: pd.DataFrame with atoms/residues positions converted into centroid positions.
-    :rtype: pd.DataFrame
-    """
-    log.debug(
-        "Converting dataframe to centroids. This averages XYZ coords of the atoms in a residue"
-    )
-
-    centroids = calculate_centroid_positions(df)
-    df = df.loc[df["atom_name"] == "CA"].reset_index(drop=True)
-    df["x_coord"] = centroids["x_coord"]
-    df["y_coord"] = centroids["y_coord"]
-    df["z_coord"] = centroids["z_coord"]
-
-    return df
-
-
-def subset_structure_to_atom_type(
-    df: pd.DataFrame, granularity: str
-) -> pd.DataFrame:
-    """
-    Return a subset of atomic dataframe that contains only certain atom names.
-
-    :param df: Protein Structure dataframe to subset.
-    :type df: pd.DataFrame
-    :returns: Subsetted protein structure dataframe.
-    :rtype: pd.DataFrame
-    """
-    return filter_dataframe(
-        df, by_column="atom_name", list_of_values=[granularity], boolean=True
-    )
-
-
-def remove_insertions(df: pd.DataFrame, keep: str = "first") -> pd.DataFrame:
-    """
-    This function removes insertions from PDB dataframes.
-
-    :param df: Protein Structure dataframe to remove insertions from.
-    :type df: pd.DataFrame
-    :param keep: Specifies which insertion to keep. Options are ``"first"`` or ``"last"``.
-        Default is ``"first"``
-    :type keep: str
-    :return: Protein structure dataframe with insertions removed
-    :rtype: pd.DataFrame
-    """
-    # Catches unnamed insertions
-    duplicates = df.duplicated(
-        subset=["chain_id", "residue_number", "atom_name"], keep=keep
-    )
-    df = df[~duplicates]
-
-    # Catches explicit insertions
-    df = filter_dataframe(
-        df, by_column="insertion", list_of_values=[""], boolean=True
-    )
-
-    # Remove alt_locs
-    df = filter_dataframe(
-        df, by_column="alt_loc", list_of_values=["", "A"], boolean=True
-    )
-
-    return df
-
-def process_dataframe(
-    protein_df: pd.DataFrame,
-    atom_df_processing_funcs: Optional[List[Callable]] = None,
-    granularity: str = "centroids",
-    chain_selection: str = "all",
-    insertions: bool = False,
-    deprotonate: bool = True,
-    keep_hets: List[str] = [],
-    verbose: bool = False,
-) -> pd.DataFrame:
-    """
-    Process ATOM and HETATM dataframes to produce singular dataframe used for graph construction.
-
-    :param protein_df: Dataframe to process.
-        Should be the object returned from :func:`~graphein.protein.graphs.read_pdb_to_dataframe`.
-    :type protein_df: pd.DataFrame
-    :param atom_df_processing_funcs: List of functions to process dataframe. These must take in a dataframe and return a
-        dataframe. Defaults to None.
-    :type atom_df_processing_funcs: List[Callable], optional
-    :param granularity: The level of granularity for the graph. This determines the node definition.
-        Acceptable values include: ``"centroids"``, ``"atoms"``,
-        any of the atom_names in the PDB file (e.g. ``"CA"``, ``"CB"``, ``"OG"``, etc.).
-        See: :const:`~graphein.protein.config.GRAPH_ATOMS` and :const:`~graphein.protein.config.GRANULARITY_OPTS`.
-    :type granularity: str
-    :param insertions: Whether or not to keep insertions.
-    :param insertions: bool
-    :param deprotonate: Whether or not to remove hydrogen atoms (i.e. deprotonation).
-    :type deprotonate: bool
-    :param keep_hets: Hetatoms to keep. Defaults to an empty list.
-        To keep a hetatom, pass it inside a list of hetatom names to keep.
-    :type keep_hets: List[str]
-    :param verbose: Verbosity level.
-    :type verbose: bool
-    :param chain_selection: Which protein chain to select. Defaults to ``"all"``. Eg can use ``"ACF"``
-        to select 3 chains (``A``, ``C`` & ``F``)
-    :type chain_selection: str
-    :return: A protein dataframe that can be consumed by
-        other graph construction functions.
-    :rtype: pd.DataFrame
-    """
-    # TODO: Need to properly define what "granularity" is supposed to do.
-    atoms = protein_df.df["ATOM"]
-
-    # This block enables processing via a list of supplied functions operating on the atom and hetatom dataframes
-    # If these are provided, the dataframe returned will be computed only from these and the default workflow
-    # below this block will not execute.
-    if atom_df_processing_funcs is not None:
-        for func in atom_df_processing_funcs:
-            atoms = func(atoms)
-        if hetatom_df_processing_funcs is None:
-            return atoms
-
-    # Deprotonate structure by removing H atoms
-    if deprotonate:
-        atoms = deprotonate_structure(atoms)
-
-    # Restrict DF to desired granularity
-    if granularity == "atom":
-        pass
-    elif granularity == "centroids":
-        atoms = convert_structure_to_centroids(atoms)
-    else:
-        atoms = subset_structure_to_atom_type(atoms, granularity)
-
-    protein_df = atoms
-
-    # Remove alt_loc residues
-    if not insertions:
-        protein_df = remove_insertions(protein_df)
-
-    # perform chain selection
-    protein_df = select_chains(
-        protein_df, chain_selection=chain_selection, verbose=verbose
-    )
-
-    log.debug(f"Detected {len(protein_df)} total nodes")
-
-    return protein_df
-
-def select_chains(
-    protein_df: pd.DataFrame, chain_selection: str, verbose: bool = False
-) -> pd.DataFrame:
-    """
-    Extracts relevant chains from ``protein_df``.
-
-    :param protein_df: pandas dataframe of PDB subsetted to relevant atoms
-        (``CA``, ``CB``).
-    :type protein_df: pd.DataFrame
-    :param chain_selection: Specifies chains that should be extracted from
-        the larger complexed structure.
-    :type chain_selection: str
-    :param verbose: Print dataframe?
-    :type verbose: bool
-    :return: Protein structure dataframe containing only entries in the
-        chain selection.
-    :rtype: pd.DataFrame
-    """
-    if chain_selection != "all":
-        protein_df = filter_dataframe(
-            protein_df,
-            by_column="chain_id",
-            list_of_values=list(chain_selection),
-            boolean=True,
-        )
-
-    return protein_df
-
-
 def initialise_graph_with_metadata(
     protein_df: pd.DataFrame,
     ligands_df: List[pd.DataFrame],
@@ -316,7 +133,7 @@ def initialise_graph_with_metadata(
 
     :param protein_df: Processed Dataframe of protein structure.
     :type protein_df: pd.DataFrame
-    :param ligands_df: Processed Dataframe of ligand structures.
+    :param ligands_df: Processed Dataframe of ligands structures.
     :type ligands_df: List[pd.DataFrame]
     :param raw_pdb_df: Unprocessed dataframe of protein structure for comparison and traceability downstream.
     :type raw_pdb_df: pd.DataFrame
@@ -365,7 +182,7 @@ def add_nodes_to_graph(
     :type G: nx.Graph
     :protein_df: DataFrame of protein structure containing nodes & initial node metadata to add to the graph.
     :type protein_df: pd.DataFrame, optional
-    :ligands_df: DataFrame of ligand structures containing nodes & initial node metadata to add to the graph.
+    :ligands_df: DataFrame of ligands structures containing nodes & initial node metadata to add to the graph.
     :type ligands_df: List[pd.DataFrame], optional
     :param verbose: Controls verbosity of this step.
     :type verbose: bool
@@ -400,11 +217,21 @@ def add_nodes_to_graph(
     )
     nx.set_node_attributes(G, dict(zip(nodes, coords)), "coords")
     nx.set_node_attributes(G, dict(zip(nodes, b_factor)), "b_factor")
-    
+    nx.set_node_attributes(G, dict(zip(nodes, ["protein" for _ in range(len(nodes))])), "source")
+
+    rdmols = []
     for i, ligand in enumerate(ligands_df):
         G.add_nodes_from(ligand["node_id"])
+        nx.set_node_attributes(G, dict(zip(ligand["node_id"], ["ligand"])), "source")
         nx.set_node_attributes(G, dict(zip(ligand["node_id"], np.asarray(ligand[["x_coord", "y_coord", "z_coord"]]))), "coords")
         nx.set_node_attributes(G, dict(zip(ligand["node_id"], ligand["element_symbol"])), "element_symbol")
+        # Convert mol to rdmol and save it
+        ppdb = PandasPdb()
+        ppdb.df['HETATM'] = ligands_df[i]
+        ppdb.to_pdb(path="./tmp_saved_mol.pdb")
+        rdmol = Chem.MolFromPDBFile("./tmp_saved_mol.pdb")
+        rdmols.append(rdmol)
+    G.graph["ligands_rdmol"] = rdmols
 
     # TODO: include charge, line_idx for traceability?
     if verbose:
@@ -414,30 +241,6 @@ def add_nodes_to_graph(
     return G
 
 
-def calculate_centroid_positions(
-    atoms: pd.DataFrame, verbose: bool = False
-) -> pd.DataFrame:
-    """
-    Calculates position of sidechain centroids.
-
-    :param atoms: ATOM df of protein structure.
-    :type atoms: pd.DataFrame
-    :param verbose: bool controlling verbosity.
-    :type verbose: bool
-    :return: centroids (df).
-    :rtype: pd.DataFrame
-    """
-    centroids = (
-        atoms.groupby("residue_number")
-        .mean()[["x_coord", "y_coord", "z_coord"]]
-        .reset_index()
-    )
-    if verbose:
-        print(f"Calculated {len(centroids)} centroid nodes")
-    log.debug(f"Calculated {len(centroids)} centroid nodes")
-    return centroids
-
-
 def compute_edges(
     G: nx.Graph,
     protein_funcs: List[Callable],
@@ -446,32 +249,33 @@ def compute_edges(
     get_contacts_config: Optional[GetContactsConfig] = None,
 ) -> nx.Graph:
     """
-    Computes edges for the protein structure graph. Will compute a pairwise
+    Computes edges for the protein-ligand structure graph. Will compute a pairwise
     distance matrix between nodes which is
     added to the graph metadata to facilitate some edge computations.
 
     :param G: nx.Graph with nodes to add edges to.
     :type G: nx.Graph
-    :param funcs: List of edge construction functions.
+    :param protein_funcs: List of protein edge construction functions.
+    :type funcs: List[Callable]
+    :param ligand_funcs: List of ligands edge construction functions.
+    :type funcs: List[Callable]
+    :param protein_ligand_funcs: List of protein-ligand edge construction functions.
     :type funcs: List[Callable]
     :param get_contacts_config: Config object for ``GetContacts`` if
         intramolecular edges are being used.
-    :type get_contacts_config: graphein.protein.config.GetContactsConfig
+    :type get_contacts_config: graphein.protein_ligand.config.GetContactsConfig
     :return: Graph with added edges.
     :rtype: nx.Graph
     """
 
     for func in protein_funcs:
         func(G)
-    print (G)
     
     for func in ligand_funcs:
         func(G)
-    print (G)
 
     for func in protein_ligand_funcs:
         func(G)
-    print (G)
 
     return G
 
@@ -510,12 +314,22 @@ def construct_graph(
     :type chain_selection: str
     :param df_processing_funcs: List of dataframe processing functions. Default is ``None``.
     :type df_processing_funcs: List[Callable], optional
-    :param edge_construction_funcs: List of edge construction functions. Default is ``None``.
+    :param protein_edge_construction_funcs: List of protein edge construction functions. Default is ``None``.
+    :type edge_construction_funcs: List[Callable], optional
+    :param protein_edge_annotation_funcs: List of protein edge annotation functions. Default is ``None``.
+    :type edge_annotation_funcs: List[Callable], optional
+    :param protein_node_annotation_funcs: List of protein node annotation functions. Default is ``None``.
+    :type node_annotation_funcs: List[Callable], optional
+    :param ligand_edge_construction_funcs: List of ligand edge construction functions. Default is ``None``.
     :type edge_construction_funcs: List[Callable], optional
-    :param edge_annotation_funcs: List of edge annotation functions. Default is ``None``.
+    :param ligand_edge_annotation_funcs: List of ligand edge annotation functions. Default is ``None``.
     :type edge_annotation_funcs: List[Callable], optional
-    :param node_annotation_funcs: List of node annotation functions. Default is ``None``.
+    :param ligand_node_annotation_funcs: List of ligand node annotation functions. Default is ``None``.
     :type node_annotation_funcs: List[Callable], optional
+    :param protein_ligand_edge_construction_funcs: List of protein-ligand edge construction functions. Default is ``None``.
+    :type edge_construction_funcs: List[Callable], optional
+    :param protein_ligand_edge_annotation_funcs: List of protein-ligand edge annotation functions. Default is ``None``.
+    :type edge_annotation_funcs: List[Callable], optional
     :param graph_annotation_funcs: List of graph annotation function. Default is ``None``.
     :type graph_annotation_funcs: List[Callable]
     :return: Protein Structure Graph
@@ -659,7 +473,7 @@ def _mp_graph_constructor(
     args: Tuple[str, str], use_pdb_code: bool, config: ProteinLigandGraphConfig
 ) -> nx.Graph:
     """
-    Protein graph constructor for use in multiprocessing several protein structure graphs.
+    Protein-ligand graph constructor for use in multiprocessing several protein structure graphs.
 
     :param args: Tuple of pdb code/path and the chain selection for that PDB
     :type args: Tuple[str, str]
@@ -686,295 +500,24 @@ def _mp_graph_constructor(
         log.info(ex)
         return None
 
-
-def construct_graphs_mp(
-    pdb_code_it: Optional[List[str]] = None,
-    pdb_path_it: Optional[List[str]] = None,
-    chain_selections: Optional[list[str]] = None,
-    config: ProteinLigandGraphConfig = ProteinLigandGraphConfig(),
-    num_cores: int = 16,
-    return_dict: bool = True,
-) -> Union[List[nx.Graph], Dict[str, nx.Graph]]:
+def process_ligand(ligand: prody, res_name: str, expo_dict: Dict):
     """
-    Constructs protein graphs for a list of pdb codes or pdb paths using multiprocessing.
-
-    :param pdb_code_it: List of pdb codes to use for protein graph construction
-    :type pdb_code_it: Optional[List[str]], defaults to None
-    :param pdb_path_it: List of paths to PDB files to use for protein graph construction
-    :type pdb_path_it: Optional[List[str]], defaults to None
-    :param chain_selections: List of chains to select from the protein structures (e.g. ["ABC", "A", "L", "CD"...])
-    :type chain_selections: Optional[List[str]], defaults to None
-    :param config: ProteinLigandGraphConfig to use.
-    :type config: graphein.protein.config.ProteinLigandGraphConfig, defaults to default config params
-    :param num_cores: Number of cores to use for multiprocessing. The more the merrier
-    :type num_cores: int, defaults to 16
-    :param return_dict: Whether or not to return a dictionary (indexed by pdb codes/paths) or a list of graphs.
-    :type return_dict: bool, default to True
-    :return: Iterable of protein graphs. None values indicate there was a problem in constructing the graph for this particular pdb
-    :rtype: Union[List[nx.Graph], Dict[str, nx.Graph]]
-    """
-    assert (
-        pdb_code_it is not None or pdb_path_it is not None
-    ), "Iterable of pdb codes OR pdb paths required."
-
-    if pdb_code_it is not None:
-        pdbs = pdb_code_it
-        use_pdb_code = True
-
-    if pdb_path_it is not None:
-        pdbs = pdb_path_it
-        use_pdb_code = False
-
-    if chain_selections is None:
-        chain_selections = ["all"] * len(pdbs)
-
-    constructor = partial(
-        _mp_graph_constructor, use_pdb_code=use_pdb_code, config=config
-    )
-
-    pool = multiprocessing.Pool(num_cores)
-    graphs = list(
-        pool.map(
-            constructor,
-            [(pdb, chain_selections[i]) for i, pdb in enumerate(pdbs)],
-        )
-    )
-    pool.close()
-    pool.join()
-
-    if return_dict:
-        graphs = {pdb: graphs[i] for i, pdb in enumerate(pdbs)}
-
-    return graphs
-
-
-def compute_chain_graph(
-    g: nx.Graph,
-    chain_list: Optional[List[str]] = None,
-    remove_self_loops: bool = False,
-    return_weighted_graph: bool = False,
-) -> Union[nx.Graph, nx.MultiGraph]:
-    """Computes a chain-level graph from a protein structure graph.
-
-    This graph features nodes as individual chains in a complex and edges as
-    the interactions between constituent nodes in each chain. You have the
-    option of returning an unweighted graph (multigraph,
-    ``return_weighted_graph=False``) or a weighted graph
-    (``return_weighted_graph=True``). The difference between these is the
-    unweighted graph features and edge for each interaction between chains
-    (ie the number of edges will be equal to the number of edges in the input
-    protein structure graph), while the weighted graph sums these interactions
-    to a single edge between chains with the counts stored as features.
-
-    :param g: A protein structure graph to compute the chain graph of.
-    :type g: nx.Graph
-    :param chain_list: A list of chains to extract from the input graph.
-        If ``None``, all chains will be used. This is provided as input to
-        ``extract_subgraph_from_chains``. Default is ``None``.
-    :type chain_list: Optional[List[str]]
-    :param remove_self_loops: Whether to remove self-loops from the graph.
-        Default is False.
-    :type remove_self_loops: bool
-    :return: A chain-level graph.
-    :rtype: Union[nx.Graph, nx.MultiGraph]
-    """
-    # If we are extracting specific chains, do it here.
-    if chain_list is not None:
-        g = extract_subgraph_from_chains(g, chain_list)
-
-    # Initialise new graph with Metadata
-    h = nx.MultiGraph()
-    h.graph = g.graph
-    h.graph["node_type"] = "chain"
-
-    # Set nodes
-    nodes_per_chain = {chain: 0 for chain in g.graph["chain_ids"]}
-    sequences = {chain: "" for chain in g.graph["chain_ids"]}
-    for n, d in g.nodes(data=True):
-        nodes_per_chain[d["chain_id"]] += 1
-        sequences[d["chain_id"]] += RESI_THREE_TO_1[d["residue_name"]]
-
-    h.add_nodes_from(g.graph["chain_ids"])
-
-    for n, d in h.nodes(data=True):
-        d["num_residues"] = nodes_per_chain[n]
-        d["sequence"] = sequences[n]
-
-    # Add edges
-    for u, v, d in g.edges(data=True):
-        h.add_edge(
-            g.nodes[u]["chain_id"], g.nodes[v]["chain_id"], kind=d["kind"]
-        )
-    # Remove self-loops if necessary. Checks for equality between nodes in a given edge.
-    if remove_self_loops:
-        edges_to_remove: List[Tuple[str]] = [
-            (u, v) for u, v in h.edges() if u == v
-        ]
-        h.remove_edges_from(edges_to_remove)
+    Process ligand in the following steps:
+        1. Select the ligand component with name "res_name"
+        2. Get the corresponding SMILES from the Ligand Expo dictionary
+        3. Create a template molecule from the SMILES in step 2
+        4. Write the PDB file to a stream
+        5. Read the stream into an RDKit molecule
+        6. Assign the bond orders from the template from step 3
 
-    # Compute a weighted graph if required.
-    if return_weighted_graph:
-        return compute_weighted_graph_from_multigraph(h)
-    return h
-
-
-def compute_weighted_graph_from_multigraph(g: nx.MultiGraph) -> nx.Graph:
-    """Computes a weighted graph from a multigraph.
-
-    This function is used to convert a multigraph to a weighted graph. The
-    weights of the edges are the number of interactions between the nodes.
-
-    :param g: A multigraph.
-    :type g: nx.MultiGraph
-    :return: A weighted graph.
-    :rtype: nx.Graph
-    """
-    H = nx.Graph()
-    H.graph = g.graph
-    H.add_nodes_from(g.nodes(data=True))
-    for u, v, d in g.edges(data=True):
-        if H.has_edge(u, v):
-            H[u][v]["weight"] += len(d["kind"])
-            H[u][v]["kind"].update(d["kind"])
-            for kind in list(d["kind"]):
-                try:
-                    H[u][v][kind] += 1
-                except KeyError:
-                    H[u][v][kind] = 1
-        else:
-            H.add_edge(u, v, weight=len(d["kind"]), kind=d["kind"])
-            for kind in list(d["kind"]):
-                H[u][v][kind] = 1
-    return H
-
-
-def number_groups_of_runs(list_of_values: List[Any]) -> List[str]:
-    """Numbers groups of runs in a list of values.
-
-    E.g. ``["A", "A", "B", "A", "A", "A", "B", "B"] ->
-    ["A1", "A1", "B1", "A2", "A2", "A2", "B2", "B2"]``
-
-    :param list_of_values: List of values to number.
-    :type list_of_values: List[Any]
-    :return: List of numbered values.
-    :rtype: List[str]
-    """
-    df = pd.DataFrame({"val": list_of_values})
-    df["idx"] = df["val"].shift() != df["val"]
-    df["sum"] = df.groupby("val")["idx"].cumsum()
-    return list(df["val"].astype(str) + df["sum"].astype(str))
-
-
-def compute_secondary_structure_graph(
-    g: nx.Graph,
-    allowable_ss_elements: Optional[List[str]] = None,
-    remove_non_ss: bool = True,
-    remove_self_loops: bool = False,
-    return_weighted_graph: bool = False,
-) -> Union[nx.Graph, nx.MultiGraph]:
-    """Computes a secondary structure graph from a protein structure graph.
-
-    :param g: A protein structure graph to compute the secondary structure
-        graph of.
-    :type g: nx.Graph
-    :param remove_non_ss: Whether to remove non-secondary structure nodes from
-        the graph. These are denoted as ``"-"`` by DSSP. Default is True.
-    :type remove_non_ss: bool
-    :param remove_self_loops: Whether to remove self-loops from the graph.
-        Default is ``False``.
-    :type remove_self_loops: bool
-    :param return_weighted_graph: Whether to return a weighted graph.
-        Default is False.
-    :type return_weighted_graph: bool
-    :raises ProteinLigandGraphConfigurationError: If the protein structure graph is
-        not configured correctly with secondary structure assignments on all
-        nodes.
-    :return: A secondary structure graph.
-    :rtype: Union[nx.Graph, nx.MultiGraph]
-    """
-    # Initialise list of secondary structure elements we use to build the graph
-    ss_list: List[str] = []
-
-    # Check nodes have secondary structure assignment & store them in list
-    for _, d in g.nodes(data=True):
-        if "ss" not in d.keys():
-            raise ProteinLigandGraphConfigurationError(
-                "Secondary structure not defined for all nodes."
-            )
-        ss_list.append(d["ss"])
-
-    # Number SS elements
-    ss_list = pd.Series(number_groups_of_runs(ss_list))
-    ss_list.index = list(g.nodes())
-
-    # Remove unstructured elements if necessary
-    if remove_non_ss:
-        ss_list = ss_list[~ss_list.str.contains("-")]
-    # Subset to only allowable SS elements if necessary
-    if allowable_ss_elements:
-        ss_list = ss_list[
-            ss_list.str.contains("|".join(allowable_ss_elements))
-        ]
-
-    constituent_residues: Dict[str, List[str]] = ss_list.index.groupby(
-        ss_list.values
-    )
-    constituent_residues = {
-        k: list(v) for k, v in constituent_residues.items()
-    }
-    residue_counts: Dict[str, int] = ss_list.groupby(ss_list).count().to_dict()
-
-    # Add Nodes from secondary structure list
-    h = nx.MultiGraph()
-    h.add_nodes_from(ss_list)
-    nx.set_node_attributes(h, residue_counts, "residue_counts")
-    nx.set_node_attributes(h, constituent_residues, "constituent_residues")
-    # Assign ss
-    for n, d in h.nodes(data=True):
-        d["ss"] = n[0]
-
-    # Add graph-level metadata
-    h.graph = g.graph
-    h.graph["node_type"] = "secondary_structure"
-
-    # Iterate over edges in source graph and add SS-SS edges to new graph.
-    for u, v, d in g.edges(data=True):
-        try:
-            h.add_edge(
-                ss_list[u], ss_list[v], kind=d["kind"], source=f"{u}_{v}"
-            )
-        except KeyError as e:
-            log.debug(
-                f"Edge {u}-{v} not added to secondary structure graph. \
-                Reason: {e} not in graph"
-            )
-
-    # Remove self-loops if necessary.
-    # Checks for equality between nodes in a given edge.
-    if remove_self_loops:
-        edges_to_remove: List[Tuple[str]] = [
-            (u, v) for u, v in h.edges() if u == v
-        ]
-        h.remove_edges_from(edges_to_remove)
-
-    # Create weighted graph from h
-    if return_weighted_graph:
-        return compute_weighted_graph_from_multigraph(h)
-    return h
-
-def process_ligand(ligand, res_name, expo_dict):
-    """
-    Add bond orders to a pdb ligand
-    1. Select the ligand component with name "res_name"
-    2. Get the corresponding SMILES from the Ligand Expo dictionary
-    3. Create a template molecule from the SMILES in step 2
-    4. Write the PDB file to a stream
-    5. Read the stream into an RDKit molecule
-    6. Assign the bond orders from the template from step 3
     :param ligand: ligand as generated by prody
+    :type ligand: prody
     :param res_name: residue name of ligand to extract
+    :type res_name: str
     :param expo_dict: dictionary with LigandExpo
+    :type expo_dict: Dict
     :return: molecule with bond orders assigned
+    :rtype: rdkit.Mol
     """
     output = StringIO()
     sub_mol = ligand.select(f"resname {res_name}")
@@ -986,25 +529,14 @@ def process_ligand(ligand, res_name, expo_dict):
     new_mol = AllChem.AssignBondOrdersFromTemplate(template, rd_mol)
     return new_mol
 
-def write_sdf(new_mol, pdb_name, res_name):
-    """
-    Write an RDKit molecule to an SD file
-    :param new_mol:
-    :param pdb_name:
-    :param res_name:
-    :return:
-    """
-    outfile_name = f"{pdb_name}_{res_name}_ligand.sdf"
-    writer = Chem.SDWriter(f"{outfile_name}")
-    writer.write(new_mol)
-    print(f"wrote {outfile_name}")
-
 def read_ligand_expo():
     """
     Read Ligand Expo data, try to find a file called
     Components-smiles-stereo-oe.smi in the current directory.
     If you can't find the file, grab it from the RCSB
+
     :return: Ligand Expo as a dictionary with ligand id as the key
+    :rtype: Dict
     """
     file_name = "Components-smiles-stereo-oe.smi"
     try:
diff --git a/graphein/protein_ligand/utils.py b/graphein/protein_ligand/utils.py
index 312f2f04f..36911341b 100644
--- a/graphein/protein_ligand/utils.py
+++ b/graphein/protein_ligand/utils.py
@@ -20,8 +20,6 @@
 from Bio.PDB import PDBList
 from biopandas.pdb import PandasPdb
 
-from graphein.protein.resi_atoms import BACKBONE_ATOMS, RESI_THREE_TO_1
-
 log = logging.getLogger(__name__)
 
 
@@ -33,283 +31,3 @@ def __init__(self, message: str):
 
     def __str__(self):
         return self.message
-
-
-@lru_cache()
-def get_obsolete_mapping() -> Dict[str, str]:
-    """Returns a dictionary mapping obsolete PDB codes to their replacement.
-
-    :return: Dictionary mapping obsolete PDB codes to their replacement.
-    :rtype: Dictionary[str, str]
-    """
-    obs_dict: Dict[str, str] = {}
-
-    response = urlopen("ftp://ftp.wwpdb.org/pub/pdb/data/status/obsolete.dat")
-    for line in response:
-        entry = line.split()
-        if len(entry) == 4:
-            obs_dict[entry[2].lower().decode("utf-8")] = (
-                entry[3].lower().decode("utf-8")
-            )
-    return obs_dict
-
-
-def download_pdb(config, pdb_code: str) -> Path:
-    """
-    Download PDB structure from PDB.
-
-    If no structure is found, we perform a lookup against the record of
-    obsolete PDB codes (ftp://ftp.wwpdb.org/pub/pdb/data/status/obsolete.dat)
-
-    :param pdb_code: 4 character PDB accession code.
-    :type pdb_code: str
-    :return: returns filepath to downloaded structure.
-    :rtype: str
-    """
-    pdb_code = pdb_code.lower()
-    if not config.pdb_dir:
-        config.pdb_dir = Path("/tmp/")
-
-    # Initialise class and download pdb file
-    pdbl = PDBList()
-    pdbl.retrieve_pdb_file(
-        pdb_code, pdir=config.pdb_dir, overwrite=True, file_format="pdb"
-    )
-    # If file not downloaded, check for obsolescence
-    if not os.path.exists(config.pdb_dir / f"pdb{pdb_code}.ent"):
-        obs_map = get_obsolete_mapping()
-        try:
-            new_pdb = obs_map[pdb_code.lower()].lower()
-            log.info(
-                f"PDB file {pdb_code} not found. It is likely obsolete. \
-                     Trying its replacement: {new_pdb} instead."
-            )
-            pdb_code = new_pdb
-            pdbl.retrieve_pdb_file(
-                pdb_code,
-                pdir=config.pdb_dir,
-                overwrite=True,
-                file_format="pdb",
-            )
-        except KeyError:
-            log.error(
-                f"PDB file {pdb_code} not found and no replacement \
-                      structure found in obsolete lookup."
-            )
-    # Rename file to .pdb from .ent
-    os.rename(
-        config.pdb_dir / f"pdb{pdb_code}.ent",
-        config.pdb_dir / f"{pdb_code}.pdb",
-    )
-
-    # Assert file has been downloaded
-    assert any(pdb_code in s for s in os.listdir(config.pdb_dir))
-    log.info(f"Downloaded PDB file for: {pdb_code}")
-    return config.pdb_dir / f"{pdb_code}.pdb"
-
-
-def get_protein_name_from_filename(pdb_path: str) -> str:
-    """
-    Extracts a filename from a ``pdb_path``
-
-    :param pdb_path: Path to extract filename from.
-    :type pdb_path: str
-    :return: file name.
-    :rtype: str
-    """
-    _, tail = os.path.split(pdb_path)
-    tail = os.path.splitext(tail)[0]
-    return tail
-
-
-def filter_dataframe(
-    dataframe: pd.DataFrame,
-    by_column: str,
-    list_of_values: List[Any],
-    boolean: bool,
-) -> pd.DataFrame:
-    """
-    Filter function for dataframe.
-
-    Filters the dataframe such that the ``by_column`` values have to be
-    in the ``list_of_values`` list if ``boolean == True``, or not in the list
-    if ``boolean == False``.
-
-    :param dataframe: pd.DataFrame to filter.
-    :type dataframe: pd.DataFrame
-    :param by_column: str denoting column of dataframe to filter.
-    :type by_column: str
-    :param list_of_values: List of values to filter with.
-    :type list_of_values: List[Any]
-    :param boolean: indicates whether to keep or exclude matching ``list_of_values``. ``True`` -> in list, ``False`` -> not in list.
-    :type boolean: bool
-    :returns: Filtered dataframe.
-    :rtype: pd.DataFrame
-    """
-    df = dataframe.copy()
-    df = df[df[by_column].isin(list_of_values) == boolean]
-    df.reset_index(inplace=True, drop=True)
-
-    return df
-
-
-def compute_rgroup_dataframe(pdb_df: pd.DataFrame) -> pd.DataFrame:
-    """Return the atoms that are in R-groups and not the backbone chain.
-
-    :param pdb_df: DataFrame to compute R group dataframe from.
-    :type pdb_df: pd.DataFrame
-    :returns: Dataframe containing R-groups only (backbone atoms removed).
-    :rtype: pd.DataFrame
-    """
-    return filter_dataframe(pdb_df, "atom_name", BACKBONE_ATOMS, False)
-
-
-def download_alphafold_structure(
-    uniprot_id: str,
-    version: int = 2,
-    out_dir: str = ".",
-    rename: bool = True,
-    pdb: bool = True,
-    mmcif: bool = False,
-    aligned_score: bool = True,
-) -> Union[str, Tuple[str, str]]:
-    """
-    Downloads a structure from the Alphafold EBI database (https://alphafold.ebi.ac.uk/files/").
-
-    :param uniprot_id: UniProt ID of desired protein.
-    :type uniprot_id: str
-    :param version: Version of the structure to download
-    :type version: int
-    :param out_dir: string specifying desired output location. Default is pwd.
-    :type out_dir: str
-    :param rename: boolean specifying whether to rename the output file to ``$uniprot_id.pdb``. Default is ``True``.
-    :type rename: bool
-    :param pdb: boolean specifying whether to download the PDB file. Default is ``True``.
-    :type pdb: bool
-    :param mmcif: Bool specifying whether to download MMCiF or PDB. Default is false (downloads pdb)
-    :type mmcif: bool
-    :param retrieve_aligned_score: Bool specifying whether or not to download score alignment json.
-    :type retrieve_aligned_score: bool
-    :return: path to output. Tuple if several outputs specified.
-    :rtype: Union[str, Tuple[str, str]]
-    """
-    BASE_URL = "https://alphafold.ebi.ac.uk/files/"
-    uniprot_id = uniprot_id.upper()
-
-    if not mmcif and not pdb:
-        raise ValueError("Must specify either mmcif or pdb.")
-    if mmcif:
-        query_url = f"{BASE_URL}AF-{uniprot_id}-F1-model_v{version}.cif"
-    if pdb:
-        query_url = f"{BASE_URL}AF-{uniprot_id}-F1-model_v{version}.pdb"
-    structure_filename = wget.download(query_url, out=out_dir)
-
-    if rename:
-        extension = ".pdb" if pdb else ".cif"
-        os.rename(
-            structure_filename, Path(out_dir) / f"{uniprot_id}{extension}"
-        )
-        structure_filename = str(
-            (Path(out_dir) / f"{uniprot_id}{extension}").resolve()
-        )
-
-    log.info(f"Downloaded AlphaFold PDB file for: {uniprot_id}")
-    if aligned_score:
-        score_query = (
-            BASE_URL
-            + "AF-"
-            + uniprot_id
-            + f"-F1-predicted_aligned_error_v{version}.json"
-        )
-        score_filename = wget.download(score_query, out=out_dir)
-        if rename:
-            os.rename(score_filename, Path(out_dir) / f"{uniprot_id}.json")
-            score_filename = str(
-                (Path(out_dir) / f"{uniprot_id}.json").resolve()
-            )
-        return structure_filename, score_filename
-
-    return structure_filename
-
-
-def three_to_one_with_mods(res: str) -> str:
-    """
-    Converts three letter AA codes into 1 letter. Allows for modified residues.
-
-    See: :const:`~graphein.protein.resi_atoms.RESI_THREE_TO_1`.
-
-    :param res: Three letter residue code string.
-    :type res: str
-    :return: 1-letter residue code.
-    :rtype: str
-    """
-    return RESI_THREE_TO_1[res]
-
-
-def save_graph_to_pdb(g: nx.Graph, path: str, gz: bool = False):
-    """Saves processed ``pdb_df`` (``g.graph["pdb_df"]``) dataframe to a PDB file.
-
-    N.B. PDBs do not contain connectivity information.
-    This only captures the nodes in the graph.
-    Connectivity is filled in according to standard rules by visualisation programs.
-
-    :param g: Protein graph to save dataframe from.
-    :type g: nx.Graph
-    :param path: Path to save PDB file to.
-    :type path: str
-    :param gz: Whether to gzip the file. Defaults to ``False``.
-    :type gz: bool
-    """
-    ppd = PandasPdb()
-    ppd.df["ATOM"] = g.graph["pdb_df"]
-    ppd.to_pdb(path=path, records=None, gz=gz, append_newline=True)
-    log.info(f"Successfully saved graph to {path}")
-
-
-def save_pdb_df_to_pdb(df: pd.DataFrame, path: str, gz: bool = False):
-    """Saves pdb dataframe to a PDB file.
-
-    :param g: Dataframe to save as PDB
-    :type g: pd.DataFrame
-    :param path: Path to save PDB file to.
-    :type path: str
-    :param gz: Whether to gzip the file. Defaults to ``False``.
-    :type gz: bool
-    """
-    ppd = PandasPdb()
-    ppd.df["ATOM"] = df
-    ppd.to_pdb(path=path, records=None, gz=False, append_newline=True)
-    log.info(f"Successfully saved PDB dataframe to {path}")
-
-
-def save_rgroup_df_to_pdb(g: nx.Graph, path: str, gz: bool = False):
-    """Saves R-group (``g.graph["rgroup_df"]``) dataframe to a PDB file.
-
-    N.B. PDBs do not contain connectivity information.
-    This only captures the atoms in the r groups.
-    Connectivity is filled in according to standard rules by visualisation programs.
-
-    :param g: Protein graph to save R group dataframe from.
-    :type g: nx.Graph
-    :param path: Path to save PDB file to.
-    :type path: str
-    :param gz: Whether to gzip the file. Defaults to ``False``.
-    :type gz: bool
-    """
-    ppd = PandasPdb()
-    ppd.df["ATOM"] = g.graph["rgroup_df"]
-    ppd.to_pdb(path=path, records=None, gz=gz, append_newline=True)
-    log.info(f"Successfully saved rgroup data to {path}")
-
-
-def is_tool(name: str) -> bool:
-    """Checks whether ``name`` is on PATH and is marked as an executable.
-    
-    Source: https://stackoverflow.com/questions/11210104/check-if-a-program-exists-from-a-python-script
-
-    :param name: Name of program to check for execution ability.
-    :type name: str
-    :return: Whether ``name`` is on PATH and is marked as an executable.
-    :rtype: bool
-    """
-    return which(name) is not None
diff --git a/tests/protein_ligand/test_graphs.py b/tests/protein_ligand/test_graphs.py
index 331391a70..53bb249ae 100644
--- a/tests/protein_ligand/test_graphs.py
+++ b/tests/protein_ligand/test_graphs.py
@@ -1,8 +1,5 @@
 """Tests for graphein.protein_ligand.graphs"""
 
-import sys
-sys.path.append('/data/yuanqi/graphein')
-
 from functools import partial
 from pathlib import Path
 
@@ -11,10 +8,7 @@
 
 from graphein.protein_ligand.config import DSSPConfig, ProteinLigandGraphConfig
 from graphein.protein_ligand.graphs import (
-    compute_chain_graph,
-    compute_secondary_structure_graph,
     construct_graph,
-    construct_graphs_mp,
     read_pdb_to_dataframe,
 )
 
diff --git a/tmp_saved_mol.pdb b/tmp_saved_mol.pdb
new file mode 100644
index 000000000..d5f76b60d
--- /dev/null
+++ b/tmp_saved_mol.pdb
@@ -0,0 +1,16 @@
+HETATM 2896  C1  MPD A 403      19.206  79.453  99.259  1.00 28.29           C  
+HETATM 2897  C2  MPD A 403      17.903  79.909  98.613  1.00 31.08           C  
+HETATM 2898  O2  MPD A 403      17.777  79.337  97.289  1.00 28.09           O  
+HETATM 2899  CM  MPD A 403      16.742  79.400  99.462  1.00 37.07           C  
+HETATM 2900  C3  MPD A 403      17.826  81.422  98.476  1.00 30.99           C  
+HETATM 2901  C4  MPD A 403      18.914  81.991  97.564  1.00 29.40           C  
+HETATM 2902  O4  MPD A 403      18.836  81.451  96.261  1.00 27.74           O  
+HETATM 2903  C5  MPD A 403      18.782  83.499  97.473  1.00 33.12           C  
+HETATM 2904  C1  MPD A 404      16.177 100.622 110.957  1.00 39.73           C  
+HETATM 2905  C2  MPD A 404      16.621  99.633 109.885  1.00 47.56           C  
+HETATM 2906  O2  MPD A 404      15.518  98.756 109.554  1.00 54.65           O  
+HETATM 2907  CM  MPD A 404      17.018 100.381 108.616  1.00 46.62           C  
+HETATM 2908  C3  MPD A 404      17.789  98.789 110.385  1.00 54.82           C  
+HETATM 2909  C4  MPD A 404      17.348  97.625 111.271  1.00 59.81           C  
+HETATM 2910  O4  MPD A 404      16.005  97.784 111.668  1.00 65.08           O  
+HETATM 2911  C5  MPD A 404      17.497  96.286 110.558  1.00 48.49           C  

From 021a7a2530e92b54ca92001afef034e5a6dc71d0 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Wed, 27 Apr 2022 23:07:21 +0100
Subject: [PATCH 42/51] add __init__ to new test submodules

---
 tests/molecule/__init__.py       | 0
 tests/protein_ligand/__init__.py | 0
 2 files changed, 0 insertions(+), 0 deletions(-)
 create mode 100644 tests/molecule/__init__.py
 create mode 100644 tests/protein_ligand/__init__.py

diff --git a/tests/molecule/__init__.py b/tests/molecule/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/protein_ligand/__init__.py b/tests/protein_ligand/__init__.py
new file mode 100644
index 000000000..e69de29bb

From 732e6919758c8da360ffb9084987422929cff3c6 Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Wed, 27 Apr 2022 23:23:34 +0100
Subject: [PATCH 43/51] add prody as extras dependency

---
 .requirements/extras.in | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/.requirements/extras.in b/.requirements/extras.in
index ddc4168e5..014e215bf 100644
--- a/.requirements/extras.in
+++ b/.requirements/extras.in
@@ -2,4 +2,5 @@ biovec
 propy3
 pyaaisc
 mpl_chord_diagram
-rdkit-pypi
\ No newline at end of file
+rdkit-pypi
+prody
\ No newline at end of file

From f97e280f43fadda494808a7d2f0c93aa8a2f14cb Mon Sep 17 00:00:00 2001
From: Arian Jamasb <arjamasb@gmail.com>
Date: Mon, 9 May 2022 21:55:14 +0100
Subject: [PATCH 44/51] fix error where multiple occurences of the same ligand
 would be treated as one ligand

---
 graphein/protein_ligand/graphs.py | 67 +++++++++++++------------------
 1 file changed, 29 insertions(+), 38 deletions(-)

diff --git a/graphein/protein_ligand/graphs.py b/graphein/protein_ligand/graphs.py
index ef677fa27..5b9d0c3c3 100644
--- a/graphein/protein_ligand/graphs.py
+++ b/graphein/protein_ligand/graphs.py
@@ -8,57 +8,45 @@
 from __future__ import annotations
 
 import logging
-import multiprocessing
 import traceback
 from functools import partial
-import requests
 from io import StringIO
 from typing import Any, Callable, Dict, List, Optional, Tuple, Union
 
 import networkx as nx
 import numpy as np
 import pandas as pd
-from Bio.PDB.Polypeptide import three_to_one
+import requests
 from biopandas.pdb import PandasPdb
 
-from graphein.protein.graphs import (
-    remove_insertions,
-    process_dataframe,
-)
-
-from graphein.protein_ligand.config import (
-    ProteinLigandGraphConfig,
-)
-from graphein.protein_ligand.utils import (
-    ProteinLigandGraphConfigurationError,
-)
+from graphein.protein.graphs import process_dataframe, remove_insertions
 from graphein.protein.utils import (
     compute_rgroup_dataframe,
-    filter_dataframe,
     get_protein_name_from_filename,
     three_to_one_with_mods,
 )
+from graphein.protein_ligand.config import ProteinLigandGraphConfig
 from graphein.utils.utils import (
     annotate_edge_metadata,
     annotate_graph_metadata,
     annotate_node_metadata,
+    import_message,
 )
 
+log = logging.getLogger(__name__)
+
 try:
-    import rdkit
     import rdkit.Chem as Chem
     import rdkit.Chem.AllChem as AllChem
 except ImportError:
-    import_message("graphein.protein_ligand.graphs", "rdkit", "rdkit", True)
+    message = import_message("graphein.protein_ligand.graphs", "rdkit", "rdkit", True)
+    log.warning(message)
 
 try:
     from prody import parsePDB, writePDBStream
 except ImportError:
-    import_message("graphein.protein_ligand.graphs", "prody", "prody", True)
-
-
-logging.basicConfig(level="DEBUG")
-log = logging.getLogger(__name__)
+    message = import_message("graphein.protein_ligand.graphs", "prody", "prody", True)
+    log.warning(message)
 
 
 def read_pdb_to_dataframe(
@@ -129,7 +117,7 @@ def initialise_graph_with_metadata(
     granularity: str,
 ) -> nx.Graph:
     """
-    Initializes the nx Graph object with initial metadata.
+    Initializes the ``nx.Graph`` object with initial metadata.
 
     :param protein_df: Processed Dataframe of protein structure.
     :type protein_df: pd.DataFrame
@@ -173,7 +161,7 @@ def initialise_graph_with_metadata(
 def add_nodes_to_graph(
     G: nx.Graph,
     protein_df: Optional[pd.DataFrame] = None,
-    ligands_df: List[pd.DataFrame] = None,
+    ligands_df: Optional[List[pd.DataFrame]] = None,
     verbose: bool = False,
 ) -> nx.Graph:
     """Add nodes into protein graph.
@@ -270,7 +258,7 @@ def compute_edges(
 
     for func in protein_funcs:
         func(G)
-    
+
     for func in ligand_funcs:
         func(G)
 
@@ -297,7 +285,7 @@ def construct_graph(
     graph_annotation_funcs: Optional[List[Callable]] = None,
 ) -> nx.Graph:
     """
-    Constructs protein structure graph from a ``pdb_code`` or ``pdb_path``.
+    Constructs protein-ligand complex graph from a ``pdb_code`` or ``pdb_path``.
 
     Users can provide a :class:`~graphein.protein.config.ProteinLigandGraphConfig`
     object to specify construction parameters.
@@ -407,17 +395,21 @@ def construct_graph(
     # Read ligand from pdb
     df_dict = read_ligand_expo()
     pdb = parsePDB(pdb_code)
-    ligand = pdb.select('not protein and not water')
-    res_name_list = list(set(ligand.getResnames()))
+    if config.exclude_waters:
+        ligand = pdb.select('not protein and not water')
+    else:
+        ligand = pdb.select('not protein')
+    res_name_list = set(list(zip(list(ligand.getResnames()), list(ligand.getChids()))))
     ligands = []
     ligands_df = []
     # TODO: filter out ions, co-factors, etc.
-    for res in res_name_list:
+    for res, chain in res_name_list:
         try:
             new_mol = process_ligand(ligand, res, df_dict)
             ligands.append(new_mol)
-            ligands_df.append(raw_df.df['HETATM'].loc[raw_df.df['HETATM']["residue_name"] == res])
-        except:
+            ligands_df.append(raw_df.df['HETATM'].loc[(raw_df.df['HETATM']["residue_name"] == res) & (raw_df.df['HETATM']["chain_id"] == chain)])
+        except Exception as e:
+            log.warning(e)
             continue
 
     protein_df = process_dataframe(
@@ -432,7 +424,7 @@ def construct_graph(
         pdb_id=pdb_code,
         granularity=config.granularity,
     )
-    
+
     # Add nodes to graph
     g = add_nodes_to_graph(g)
 
@@ -500,7 +492,7 @@ def _mp_graph_constructor(
         log.info(ex)
         return None
 
-def process_ligand(ligand: prody, res_name: str, expo_dict: Dict):
+def process_ligand(ligand, res_name: str, expo_dict: Dict):
     """
     Process ligand in the following steps:
         1. Select the ligand component with name "res_name"
@@ -526,17 +518,16 @@ def process_ligand(ligand: prody, res_name: str, expo_dict: Dict):
     writePDBStream(output, sub_mol)
     pdb_string = output.getvalue()
     rd_mol = AllChem.MolFromPDBBlock(pdb_string)
-    new_mol = AllChem.AssignBondOrdersFromTemplate(template, rd_mol)
-    return new_mol
+    return AllChem.AssignBondOrdersFromTemplate(template, rd_mol)
 
-def read_ligand_expo():
+def read_ligand_expo() -> Dict[str, Dict[str, str]]:
     """
     Read Ligand Expo data, try to find a file called
     Components-smiles-stereo-oe.smi in the current directory.
     If you can't find the file, grab it from the RCSB
 
     :return: Ligand Expo as a dictionary with ligand id as the key
-    :rtype: Dict
+    :rtype: Dict[str, Dict[str, str]]
     """
     file_name = "Components-smiles-stereo-oe.smi"
     try:
@@ -552,4 +543,4 @@ def read_ligand_expo():
                          header=None,
                          names=["SMILES", "ID", "Name"])
     df.set_index("ID", inplace=True)
-    return df.to_dict()
\ No newline at end of file
+    return df.to_dict()

From de660610662b7170495321208d0e498e3f0e3d87 Mon Sep 17 00:00:00 2001
From: a-r-j <arjamasb@gmail.com>
Date: Sat, 2 Jul 2022 19:20:32 +0200
Subject: [PATCH 45/51] remove unnecessary pdbs

---
 graphein/protein_ligand/1lds.pdb.gz | Bin 24007 -> 0 bytes
 graphein/protein_ligand/3v1w.pdb.gz | Bin 76864 -> 0 bytes
 graphein/protein_ligand/4hhb.pdb.gz | Bin 109128 -> 0 bytes
 3 files changed, 0 insertions(+), 0 deletions(-)
 delete mode 100644 graphein/protein_ligand/1lds.pdb.gz
 delete mode 100644 graphein/protein_ligand/3v1w.pdb.gz
 delete mode 100644 graphein/protein_ligand/4hhb.pdb.gz

diff --git a/graphein/protein_ligand/1lds.pdb.gz b/graphein/protein_ligand/1lds.pdb.gz
deleted file mode 100644
index 2aec82422f32d7715849d7f4b02c8dccca286c62..0000000000000000000000000000000000000000
GIT binary patch
literal 0
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From a10640535e557486e6c44ccec6969d712a0ef942 Mon Sep 17 00:00:00 2001
From: a-r-j <arjamasb@gmail.com>
Date: Sat, 2 Jul 2022 22:43:04 +0200
Subject: [PATCH 46/51] remove unnecessary pdbs

---
 graphein/3v1w.pdb.gz | Bin 76864 -> 0 bytes
 1 file changed, 0 insertions(+), 0 deletions(-)
 delete mode 100644 graphein/3v1w.pdb.gz

diff --git a/graphein/3v1w.pdb.gz b/graphein/3v1w.pdb.gz
deleted file mode 100644
index 798f07ec2fdb656f4f1c294a6009fce98c15a1ee..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

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From d2433dbfc694645c897080744351a040f2c633ef Mon Sep 17 00:00:00 2001
From: a-r-j <arjamasb@gmail.com>
Date: Wed, 6 Jul 2022 19:20:15 +0200
Subject: [PATCH 47/51] refactor JT computation

---
 graphein/molecule/graphs.py | 76 +++++++++++++++----------------------
 graphein/molecule/utils.py  |  2 +-
 2 files changed, 31 insertions(+), 47 deletions(-)

diff --git a/graphein/molecule/graphs.py b/graphein/molecule/graphs.py
index 4a53a8b4f..2fd78446b 100644
--- a/graphein/molecule/graphs.py
+++ b/graphein/molecule/graphs.py
@@ -10,11 +10,11 @@
 import logging
 import traceback
 from functools import partial
-from typing import Callable, Dict, List, Optional, Tuple, Union
+from typing import Callable, Dict, List, Optional, Union
 
 import networkx as nx
 import numpy as np
-from tqdm.contrib.concurrent import process_map, thread_map
+from tqdm.contrib.concurrent import thread_map
 
 from graphein.utils.utils import (
     annotate_edge_metadata,
@@ -23,17 +23,10 @@
     compute_edges,
     import_message,
 )
-from graphein.utils.junction_tree.jt_utils import (
-    get_mol,
-    get_smiles,
-    tree_decomp, 
-    get_clique_mol,
-)
 
 from .chembl import get_smiles_from_chembl
 from .config import MoleculeGraphConfig
-from .edges.atomic import add_atom_bonds
-from .utils import compute_fragments
+from .utils import compute_fragments, get_clique_mol, get_smiles, tree_decomp
 from .zinc import get_smiles_from_zinc
 
 log = logging.getLogger(__name__)
@@ -141,6 +134,7 @@ def construct_graph(
     smiles: Optional[str] = None,
     zinc_id: Optional[str] = None,
     chembl_id: Optional[str] = None,
+    junction_tree: bool = False,
     generate_conformer: Optional[bool] = False,
     edge_construction_funcs: Optional[str] = None,
     edge_annotation_funcs: Optional[List[Callable]] = None,
@@ -167,6 +161,8 @@ def construct_graph(
     :type zinc_id: str, optional
     :param chembl_id: ChEMBL ID to build graph from. Default is ``None``.
     :type chembl_id: str, optional
+    :param junction_tree: boolean to indicate whether to use a junction tree or not. Default is ``False``.
+    :type junction_tree: bool
     :param generate_conformer: Whether to generate a conformer for the molecule. Defaults to ``False``.
     :type generate_conformer: bool, optional
     :param edge_construction_funcs: List of edge construction functions. Default is ``None``.
@@ -267,30 +263,21 @@ def construct_graph(
     if config.add_hs:
         rdmol = Chem.AddHs(rdmol)
 
-    if coords is None:
-        # If no coords are provided, add edges by bonds
-        config.edge_construction_functions = [add_atom_bonds]
-        g = initialise_graph_with_metadata(
-            name=name,
-            rdmol=rdmol,
-            coords=None,
-        )
-    else:
-        # If config params are provided, overwrite them
-        config.edge_construction_functions = (
-            edge_construction_funcs
-            if config.edge_construction_functions is None
-            else config.edge_construction_functions
-        )
-
-        g = initialise_graph_with_metadata(
-            name=name,
-            rdmol=rdmol,
-            coords=np.asarray(coords),
-        )
+    # If no coords are provided, add edges by bonds
+    #config.edge_construction_functions = [add_atom_bonds]
+    g = initialise_graph_with_metadata(
+        name=name,
+        rdmol=rdmol,
+        coords=coords,
+    )
 
     # Add nodes to graph
-    g = add_nodes_to_graph(g)
+    if junction_tree:
+        jt = construct_junction_tree(rdmol)
+        jt.graph = g.graph
+        g = jt
+    else:
+        g = add_nodes_to_graph(g)
 
     # Add config to graph
     g.graph["config"] = config
@@ -315,40 +302,37 @@ def construct_graph(
 
     return g
 
+
 def construct_junction_tree(
-    smiles: Optional[str] = None,
+    mol=Chem.Mol
 ) -> nx.Graph:
     """
     Constructs molecule structure junction tree graph from a ``smiles``.
 
-    :param smiles: smiles string to build graph from. Default is ``None``.
-    :type smiles: str, optional
+    :param mol: smiles string to build graph from. Default is ``None``.
+    :type mol: str, optional # TODO docstring
     :return: Molecule Structure Junction Tree Graph
     :type: nx.Graph
     """
-
-    mol = get_mol(smiles)
-
-    g = nx.Graph(
-        name=smiles, smiles=smiles
-    )
+    g = nx.Graph()
 
     cliques, edges = tree_decomp(mol)
-        
+    clique_map = {}
     for i, c in enumerate(cliques):
         cmol = get_clique_mol(mol, c)
-        g.add_node(
-            f"{get_smiles(cmol)}:{str(i)}",
-        )
+        id = f"{get_smiles(cmol)}:{str(i)}"
+        g.add_node(id)
+        clique_map[i] = id
 
     for n1, n2 in edges:
+        n1, n2 = clique_map[n1], clique_map[n2]
         if g.has_edge(n1, n2):
             g.edges[n1, n2]["kind"].add("junction_tree")
         else:
             g.add_edge(n1, n2, kind={"junction_tree"})
-
     return g
 
+
 def compute_fragment_graphs(
     g: Union[nx.Graph, Chem.Mol], config: Optional[MoleculeGraphConfig] = None
 ) -> List[nx.Graph]:
diff --git a/graphein/molecule/utils.py b/graphein/molecule/utils.py
index 8c209e057..8b8367401 100644
--- a/graphein/molecule/utils.py
+++ b/graphein/molecule/utils.py
@@ -209,7 +209,7 @@ def copy_edit_mol(mol: rdkit.Chem.rdchem.Mol) -> rdkit.Chem.rdchem.Mol:
     """
     new_mol = Chem.RWMol(Chem.MolFromSmiles(""))
     for atom in mol.GetAtoms():
-        new_atom = copy_atom(atom)
+        new_atom = copy_rdmol_atom(atom)
         new_mol.AddAtom(new_atom)
     for bond in mol.GetBonds():
         a1 = bond.GetBeginAtom().GetIdx()

From d4d681761fa2acac5b3bd12f52c3abba57f7c9eb Mon Sep 17 00:00:00 2001
From: a-r-j <arjamasb@gmail.com>
Date: Wed, 6 Jul 2022 19:20:39 +0200
Subject: [PATCH 48/51] refactor JT computation (remove old code)

---
 graphein/utils/junction_tree/jt_utils.py | 204 -----------------------
 1 file changed, 204 deletions(-)
 delete mode 100644 graphein/utils/junction_tree/jt_utils.py

diff --git a/graphein/utils/junction_tree/jt_utils.py b/graphein/utils/junction_tree/jt_utils.py
deleted file mode 100644
index 7f04068ed..000000000
--- a/graphein/utils/junction_tree/jt_utils.py
+++ /dev/null
@@ -1,204 +0,0 @@
-"""Utilities for working with graph objects."""
-# Graphein
-# Author: Arian Jamasb <arian@jamasb.io>, Eric Ma
-# License: MIT
-# TODO: code adapted from Wengong Jin https://github.com/wengong-jin/icml18-jtnn
-# Project Website: https://github.com/a-r-j/graphein
-# Code Repository: https://github.com/a-r-j/graphein
-from __future__ import annotations
-
-import os
-import platform
-import subprocess
-import sys
-import collections
-from typing import Any, Callable, Iterable, List, Optional, Tuple
-
-import networkx as nx
-from scipy.sparse import csr_matrix
-from scipy.sparse.csgraph import minimum_spanning_tree
-
-import rdkit
-import rdkit.Chem as Chem
-
-MST_MAX_WEIGHT = 100 
-MAX_NCAND = 2000
-
-def get_mol(smiles: str) -> rdkit.Chem.rdchem.Mol:
-    """
-    Function for getting rdmol from smiles
-
-    :param smiles: smiles string to get
-    :type x: str
-    :return: rdmol
-    :rtype: rdkit.Chem.rdchem.Mol
-    """
-    mol = Chem.MolFromSmiles(smiles)
-    if mol is None: 
-        return None
-    Chem.Kekulize(mol)
-    return mol
-
-def get_smiles(mol: rdkit.Chem.rdchem.Mol) -> str:
-    """
-    Function for getting smiles from rdmol
-
-    :param mol: rdmol to get
-    :type mol: rdkit.Chem.rdchem.Mol
-    :return: smiles string
-    :rtype: str
-    """
-    return Chem.MolToSmiles(mol, kekuleSmiles=True)
-
-def sanitize(mol: rdkit.Chem.rdchem.Mol) -> rdkit.Chem.rdchem.Mol:
-    """
-    Function for sanitizing a rdmol
-
-    :param mol: rdmol to sanitize
-    :type mol: rdkit.Chem.rdchem.Mol
-    :return: sanitized rdmol
-    :rtype: rdkit.Chem.rdchem.Mol
-    """
-    try:
-        smiles = get_smiles(mol)
-        mol = get_mol(smiles)
-    except Exception as e:
-        return None
-    return mol
-
-def copy_edit_mol(mol: rdkit.Chem.rdchem.Mol) -> rdkit.Chem.rdchem.Mol:
-    """
-    Function for copying a rdmol
-
-    :param mol: rdmol to copy
-    :type mol: rdkit.Chem.rdchem.Mol
-    :return: copied rdmol
-    :rtype: rdkit.Chem.rdchem.Mol
-    """
-    new_mol = Chem.RWMol(Chem.MolFromSmiles(''))
-    for atom in mol.GetAtoms():
-        new_atom = copy_atom(atom)
-        new_mol.AddAtom(new_atom)
-    for bond in mol.GetBonds():
-        a1 = bond.GetBeginAtom().GetIdx()
-        a2 = bond.GetEndAtom().GetIdx()
-        bt = bond.GetBondType()
-        new_mol.AddBond(a1, a2, bt)
-    return new_mol
-
-def get_clique_mol(mol: rdkit.Chem.rdchem.Atom, atoms: List[int]):
-    """
-    Function for getting clique rdmol
-
-    :param mol: rdmol to get clique
-    :type mol: rdkit.Chem.rdchem.Mol
-    :param atoms: atoms to cut
-    :type atoms: List[int]
-    :return: clique rdmol
-    :rtype: rdkit.Chem.rdchem.Mol
-    """
-    smiles = Chem.MolFragmentToSmiles(mol, atoms, kekuleSmiles=True)
-    new_mol = Chem.MolFromSmiles(smiles, sanitize=False)
-    new_mol = copy_edit_mol(new_mol).GetMol()
-    new_mol = sanitize(new_mol) #We assume this is not None
-    return new_mol
-
-def copy_atom(atom: rdkit.Chem.rdchem.Atom) -> rdkit.Chem.rdchem.Atom:
-    """
-    Function for copying an atom
-
-    :param mol: atom to copy
-    :type mol: rdkit.Chem.rdchem.Atom
-    :return: copied atom
-    :rtype: rdkit.Chem.rdchem.Atom
-    """
-    new_atom = Chem.Atom(atom.GetSymbol())
-    new_atom.SetFormalCharge(atom.GetFormalCharge())
-    new_atom.SetAtomMapNum(atom.GetAtomMapNum())
-    return new_atom
-
-def tree_decomp(mol: rdkit.Chem.rdchem.Mol) -> Tuple[List]:
-    """
-    Function for decomposing rdmol to a tree
-
-    :param mol: rdmol to decompose
-    :type mol: rdkit.Chem.rdchem.Mol
-    :return: decomposed cliques and edges between them
-    :rtype: Tuple[List]
-    """
-    n_atoms = mol.GetNumAtoms()
-    if n_atoms == 1: #special case
-        return [[0]], []
-
-    cliques = []
-    for bond in mol.GetBonds():
-        a1 = bond.GetBeginAtom().GetIdx()
-        a2 = bond.GetEndAtom().GetIdx()
-        if not bond.IsInRing():
-            cliques.append([a1,a2])
-
-    ssr = [list(x) for x in Chem.GetSymmSSSR(mol)]
-    cliques.extend(ssr)
-
-    nei_list = [[] for i in range(n_atoms)]
-    for i in range(len(cliques)):
-        for atom in cliques[i]:
-            nei_list[atom].append(i)
-    
-    #Merge Rings with intersection > 2 atoms
-    for i in range(len(cliques)):
-        if len(cliques[i]) <= 2: continue
-        for atom in cliques[i]:
-            for j in nei_list[atom]:
-                if i >= j or len(cliques[j]) <= 2: continue
-                inter = set(cliques[i]) & set(cliques[j])
-                if len(inter) > 2:
-                    cliques[i].extend(cliques[j])
-                    cliques[i] = list(set(cliques[i]))
-                    cliques[j] = []
-    
-    cliques = [c for c in cliques if len(c) > 0]
-    nei_list = [[] for i in range(n_atoms)]
-    for i in range(len(cliques)):
-        for atom in cliques[i]:
-            nei_list[atom].append(i)
-    
-    #Build edges and add singleton cliques
-    edges = collections.defaultdict(int)
-    for atom in range(n_atoms):
-        if len(nei_list[atom]) <= 1: 
-            continue
-        cnei = nei_list[atom]
-        bonds = [c for c in cnei if len(cliques[c]) == 2]
-        rings = [c for c in cnei if len(cliques[c]) > 4]
-        if len(bonds) > 2 or (len(bonds) == 2 and len(cnei) > 2): #In general, if len(cnei) >= 3, a singleton should be added, but 1 bond + 2 ring is currently not dealt with.
-            cliques.append([atom])
-            c2 = len(cliques) - 1
-            for c1 in cnei:
-                edges[(c1,c2)] = 1
-        elif len(rings) > 2: #Multiple (n>2) complex rings
-            cliques.append([atom])
-            c2 = len(cliques) - 1
-            for c1 in cnei:
-                edges[(c1,c2)] = MST_MAX_WEIGHT - 1
-        else:
-            for i in range(len(cnei)):
-                for j in range(i + 1, len(cnei)):
-                    c1,c2 = cnei[i],cnei[j]
-                    inter = set(cliques[c1]) & set(cliques[c2])
-                    if edges[(c1,c2)] < len(inter):
-                        edges[(c1,c2)] = len(inter) #cnei[i] < cnei[j] by construction
-
-    edges = [u + (MST_MAX_WEIGHT-v,) for u,v in edges.items()]
-    if len(edges) == 0:
-        return cliques, edges
-
-    #Compute Maximum Spanning Tree
-    row,col,data = zip(*edges)
-    n_clique = len(cliques)
-    clique_graph = csr_matrix( (data,(row,col)), shape=(n_clique,n_clique) )
-    junc_tree = minimum_spanning_tree(clique_graph)
-    row,col = junc_tree.nonzero()
-    edges = [(row[i],col[i]) for i in range(len(row))]
-    return (cliques, edges)
-

From cf2b54165d2ddf95d7e7161d4ad5cff95ae105bb Mon Sep 17 00:00:00 2001
From: a-r-j <arjamasb@gmail.com>
Date: Wed, 6 Jul 2022 19:26:31 +0200
Subject: [PATCH 49/51] remove duplicated code in features/sequence

---
 .../features/sequence/__init__.py             |    8 +-
 .../features/sequence/embeddings.py           |  254 ---
 .../protein_ligand/features/sequence/propy.py | 1832 -----------------
 .../features/sequence/sequence.py             |   38 -
 .../protein_ligand/features/sequence/utils.py |  112 -
 5 files changed, 4 insertions(+), 2240 deletions(-)
 delete mode 100644 graphein/protein_ligand/features/sequence/embeddings.py
 delete mode 100644 graphein/protein_ligand/features/sequence/propy.py
 delete mode 100644 graphein/protein_ligand/features/sequence/sequence.py
 delete mode 100644 graphein/protein_ligand/features/sequence/utils.py

diff --git a/graphein/protein_ligand/features/sequence/__init__.py b/graphein/protein_ligand/features/sequence/__init__.py
index c1127d677..fea06b0b8 100644
--- a/graphein/protein_ligand/features/sequence/__init__.py
+++ b/graphein/protein_ligand/features/sequence/__init__.py
@@ -1,4 +1,4 @@
-from .embeddings import *
-from .propy import *
-from .sequence import *
-from .utils import *
+from ....protein.features.sequence.embeddings import *
+from ....protein.features.sequence.propy import *
+from ....protein.features.sequence.sequence import *
+from ....protein.features.sequence.utils import *
diff --git a/graphein/protein_ligand/features/sequence/embeddings.py b/graphein/protein_ligand/features/sequence/embeddings.py
deleted file mode 100644
index 2b30da9f9..000000000
--- a/graphein/protein_ligand/features/sequence/embeddings.py
+++ /dev/null
@@ -1,254 +0,0 @@
-"""Functions to add embeddings from pre-trained language models protein structure graphs."""
-# Graphein
-# Author: Arian Jamasb <arian@jamasb.io>
-# License: MIT
-# Project Website: https://github.com/a-r-j/graphein
-# Code Repository: https://github.com/a-r-j/graphein
-from __future__ import annotations
-
-import logging
-import os
-from functools import lru_cache, partial
-from pathlib import Path
-
-import networkx as nx
-
-from graphein.protein.features.sequence.utils import (
-    compute_feature_over_chains,
-    subset_by_node_feature_value,
-)
-from graphein.utils.utils import import_message
-
-log = logging.getLogger(__name__)
-
-
-try:
-    import torch
-except ImportError:
-    message = import_message(
-        submodule="graphein.protein.features.sequence.embeddings",
-        package="torch",
-        pip_install=True,
-        conda_channel="pytorch",
-    )
-    log.warning(message)
-
-try:
-    import biovec
-except ImportError:
-    message = import_message(
-        submodule="graphein.protein.features.sequence.embeddings",
-        package="biovec",
-        pip_install=True,
-    )
-    log.warning(message)
-
-
-@lru_cache()
-def _load_esm_model(model_name: str = "esm1b_t33_650M_UR50S"):
-    """
-    Loads pre-trained FAIR ESM model from torch hub.
-
-        Biological Structure and Function Emerge from Scaling Unsupervised Learning to 250 Million Protein Sequences (2019)
-        Rives, Alexander and Meier, Joshua and Sercu, Tom and Goyal, Siddharth and Lin, Zeming and Liu, Jason and Guo,
-        Demi and Ott, Myle and Zitnick, C. Lawrence and Ma, Jerry and Fergus, Rob
-
-
-        Transformer protein language models are unsupervised structure learners 2020
-        Rao, Roshan M and Meier, Joshua and Sercu, Tom and Ovchinnikov, Sergey and Rives, Alexander
-
-    Pre-trained models:
-    Full Name layers params Dataset Embedding Dim Model URL
-    ========= ====== ====== ======= ============= =========
-    ESM-1b   esm1b_t33_650M_UR50S 33 650M UR50/S 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1b_t33_650M_UR50S.pt
-    ESM1-main esm1_t34_670M_UR50S34 670M UR50/S 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR50S.pt
-    esm1_t34_670M_UR50D 34 670M UR50/D 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR50D.pt
-    esm1_t34_670M_UR100 34 670M UR100 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR100.pt
-    esm1_t12_85M_UR50S 12 85M UR50/S 768 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t12_85M_UR50S.pt
-    esm1_t6_43M_UR50S 6 43M UR50/S 768 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t6_43M_UR50S.pt
-
-    :param model_name: Name of pre-trained model to load
-    :type model_name: str
-    :return: loaded pre-trained model
-    """
-
-    return torch.hub.load("facebookresearch/esm", model_name)
-
-
-def compute_esm_embedding(
-    sequence: str,
-    representation: str,
-    model_name: str = "esm1b_t33_650M_UR50S",
-    output_layer: int = 33,
-) -> np.ndarray:
-    """
-    Computes sequence embedding using Pre-trained ESM model from FAIR
-
-        Biological Structure and Function Emerge from Scaling Unsupervised Learning to 250 Million Protein Sequences (2019)
-        Rives, Alexander and Meier, Joshua and Sercu, Tom and Goyal, Siddharth and Lin, Zeming and Liu, Jason and Guo,
-        Demi and Ott, Myle and Zitnick, C. Lawrence and Ma, Jerry and Fergus, Rob
-
-
-        Transformer protein language models are unsupervised structure learners 2020
-        Rao, Roshan M and Meier, Joshua and Sercu, Tom and Ovchinnikov, Sergey and Rives, Alexander
-
-    Pre-trained models:
-
-    Full Name layers params Dataset Embedding Dim Model URL
-    ========= ====== ====== ======= ============= =========
-    ESM-1b esm1b_t33_650M_UR50S 33 650M UR50/S 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1b_t33_650M_UR50S.pt
-    ESM1-main esm1_t34_670M_UR50S 34 670M UR50/S 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR50S.pt
-    esm1_t34_670M_UR50D 34 670M UR50/D 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR50D.pt
-    esm1_t34_670M_UR100 34 670M UR100 1280 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR100.pt
-    esm1_t12_85M_UR50S 12 85M UR50/S 768 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t12_85M_UR50S.pt
-    esm1_t6_43M_UR50S 6 43M UR50/S 768 https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t6_43M_UR50S.pt
-
-    :param sequence: Protein sequence to embed (str)
-    :type sequence: str
-    :param representation: Type of embedding to extract. ``"residue"`` or ``"sequence"``. Sequence-level embeddings are averaged residue embeddings
-    :type representation: str
-    :param model_name: Name of pre-trained model to use
-    :type model_name: str
-    :param output_layer: integer indicating which layer the output should be taken from
-    :type output_layer: int
-    :return: embedding (``np.ndarray``)
-    :rtype: np.ndarray
-    """
-    model, alphabet = _load_esm_model(model_name)
-    batch_converter = alphabet.get_batch_converter()
-
-    data = [
-        ("protein1", sequence),
-    ]
-    batch_labels, batch_strs, batch_tokens = batch_converter(data)
-
-    # Extract per-residue representations (on CPU)
-    with torch.no_grad():
-        results = model(
-            batch_tokens, repr_layers=[output_layer], return_contacts=True
-        )
-    token_representations = results["representations"][output_layer]
-
-    if representation == "residue":
-        return token_representations.numpy()
-
-    # Generate per-sequence representations via averaging
-    # NOTE: token 0 is always a beginning-of-sequence token, so the first residue is token 1.
-    elif representation == "sequence":
-        sequence_representations = []
-        for i, (_, seq) in enumerate(data):
-            sequence_representations.append(
-                token_representations[i, 1 : len(seq) + 1].mean(0)
-            )
-        return sequence_representations[0].numpy()
-
-
-def esm_residue_embedding(
-    G: nx.Graph,
-    model_name: str = "esm1b_t33_650M_UR50S",
-    output_layer: int = 33,
-) -> nx.Graph:
-    """
-    Computes ESM residue embeddings from a protein sequence and adds the to the graph.
-
-        Biological Structure and Function Emerge from Scaling Unsupervised Learning to 250 Million Protein Sequences (2019)
-        Rives, Alexander and Meier, Joshua and Sercu, Tom and Goyal, Siddharth and Lin, Zeming and Liu, Jason and Guo,
-        Demi and Ott, Myle and Zitnick, C. Lawrence and Ma, Jerry and Fergus, Rob
-
-
-        Transformer protein language models are unsupervised structure learners 2020
-        Rao, Roshan M and Meier, Joshua and Sercu, Tom and Ovchinnikov, Sergey and Rives, Alexander
-
-    **Pre-trained models**
-
-    =========                     ====== ====== ======= ============= =========
-    Full Name                     layers params Dataset Embedding Dim Model URL
-    =========                     ====== ====== ======= ============= =========
-    ESM-1b esm1b_t33_650M_UR50S   33    650M   UR50/S     1280        https://dl.fbaipublicfiles.com/fair-esm/models/esm1b_t33_650M_UR50S.pt
-    ESM1-main esm1_t34_670M_UR50S 34    670M   UR50/S     1280        https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR50S.pt
-    esm1_t34_670M_UR50D           34    670M   UR50/D     1280        https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR50D.pt
-    esm1_t34_670M_UR100           34    670M   UR100      1280        https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t34_670M_UR100.pt
-    esm1_t12_85M_UR50S            12    85M    UR50/S     768         https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t12_85M_UR50S.pt
-    esm1_t6_43M_UR50S             6     43M    UR50/S     768         https://dl.fbaipublicfiles.com/fair-esm/models/esm1_t6_43M_UR50S.pt
-    =========                     ====== ====== ======= ============= =========
-
-    :param G: ``nx.Graph`` to add esm embedding to.
-    :type G: nx.Graph
-    :param model_name: Name of pre-trained model to use.
-    :type model_name: str
-    :param output_layer: index of output layer in pre-trained model.
-    :type output_layer: int
-    :return: ``nx.Graph`` with esm embedding feature added to nodes.
-    :rtype: nx.Graph
-    """
-
-    for chain in G.graph["chain_ids"]:
-        embedding = compute_esm_embedding(
-            G.graph[f"sequence_{chain}"],
-            representation="residue",
-            model_name=model_name,
-            output_layer=output_layer,
-        )
-        # remove start and end tokens from per-token residue embeddings
-        embedding = embedding[0, 1:-1]
-        subgraph = subset_by_node_feature_value(G, "chain_id", chain)
-
-        for i, (n, d) in enumerate(subgraph.nodes(data=True)):
-            G.nodes[n]["esm_embedding"] = embedding[i]
-
-    return G
-
-
-def esm_sequence_embedding(G: nx.Graph) -> nx.Graph:
-    """
-    Computes ESM sequence embedding feature over chains in a graph.
-
-    :param G: nx.Graph protein structure graph.
-    :type G: nx.Graph
-    :return: nx.Graph protein structure graph with esm embedding features added eg. ``G.graph["esm_embedding_A"]`` for chain A.
-    :rtype: nx.Graph
-    """
-    func = partial(compute_esm_embedding, representation="sequence")
-    G = compute_feature_over_chains(G, func, feature_name="esm_embedding")
-
-    return G
-
-
-@lru_cache()
-def _load_biovec_model():
-    """Loads pretrained ProtVec Model.
-
-    **Source**
-
-        ProtVec: A Continuous Distributed Representation of Biological Sequences
-
-    Paper: http://arxiv.org/pdf/1503.05140v1.pdf
-    """
-
-    return biovec.models.load_protvec(
-        os.fspath(
-            Path(__file__).parent.parent
-            / "pretrained_models"
-            / "swissprot-reviewed-protvec.model"
-        )
-    )
-
-
-def biovec_sequence_embedding(G: nx.Graph) -> nx.Graph:
-    """
-    Adds BioVec sequence embedding feature to the graph. Computed over chains.
-
-    **Source**
-        ProtVec: A Continuous Distributed Representation of Biological Sequences
-
-    Paper: http://arxiv.org/pdf/1503.05140v1.pdf
-
-    :param G: nx.Graph protein structure graph.
-    :type G: nx.Graph
-    :return: nx.Graph protein structure graph with biovec embedding added. e.g. ``G.graph["biovec_embedding_A"]`` for chain ``A``.
-    :rtype: nx.Graph
-    """
-    pv = _load_biovec_model()
-    func = pv.to_vecs
-    G = compute_feature_over_chains(G, func, feature_name="biovec_embedding")
-    return G
diff --git a/graphein/protein_ligand/features/sequence/propy.py b/graphein/protein_ligand/features/sequence/propy.py
deleted file mode 100644
index 345d8f5a3..000000000
--- a/graphein/protein_ligand/features/sequence/propy.py
+++ /dev/null
@@ -1,1832 +0,0 @@
-# %%
-# Graphein
-# Author: Arian Jamasb <arian@jamasb.io>, Eric Ma
-# License: MIT
-# Project Website: https://github.com/a-r-j/graphein
-# Code Repository: https://github.com/a-r-j/graphein
-
-# TODO: This the docstrings inside this module's set of functions
-# can do without the `type`s.
-# This is because the types are already annotated on the function.
-
-import logging
-from functools import partial
-from typing import Any, Callable, Dict, List, Optional
-
-import networkx as nx
-
-from graphein.protein.features.sequence.utils import (
-    aggregate_feature_over_chains,
-    compute_feature_over_chains,
-)
-from graphein.protein.features.utils import (
-    aggregate_graph_feature_over_chains,
-    convert_graph_dict_feat_to_series,
-)
-
-log = logging.getLogger(__name__)
-
-
-def compute_propy_feature(
-    G: nx.Graph,
-    func: Callable,
-    feature_name: str,
-    aggregation_type: Optional[List[str]] = None,
-) -> nx.Graph:
-    """
-    Computes Propy Descriptors over chains in a Protein Graph
-
-    :param G: Protein Graph
-    :type G: nx.Graph
-    :param func: ProPy wrapper function to compute
-    :type func: Callable
-    :param feature_name: Name of feature to index it in the nx.Graph object
-    :type feature_name: str
-    :param aggregation_type: Type of aggregation to use when aggregating a feature over multiple chains. One of:
-        ["mean", "man", "sum"]. Defaults to None.
-    :type aggregation_type: List[str], optional
-    :return G: Returns protein Graph with features added. Features are accessible with G.graph[{feature_name}_{chain | aggegation_type}]
-    :rtype: nx.Graph
-    """
-    G = compute_feature_over_chains(G, func, feature_name=feature_name)
-
-    # Convert to Series
-    G = convert_graph_dict_feat_to_series(G, feature_name=feature_name)
-
-    # Aggregate features
-    if len(G.graph["chain_ids"]) > 1:
-        if aggregation_type:
-            G = aggregate_graph_feature_over_chains(
-                G, feature_name=feature_name, aggregation_type=aggregation_type
-            )
-    else:
-        log.debug("Aggregation not carried out on single-chain graph")
-    return G
-
-
-def amino_acid_composition(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate the composition of Amino acids for a given protein sequence.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use
-    :type aggregation_type: Optional[List[str]]
-    :return: Protein Graph with amino_acid_composition feature added. G.graph["amino_acid_composition_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.AAComposition import CalculateAAComposition
-
-    func = CalculateAAComposition
-    feature_name = "amino_acid_composition"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def dipeptide_composition(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate the composition of dipeptidefor a given protein sequence. Contains composition of 400 dipeptides
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with dipeptide_composition feature added. G.graph["dipeptide_composition_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.AAComposition import CalculateDipeptideComposition
-
-    func = CalculateDipeptideComposition
-    feature_name = "dipeptide_composition"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def aa_dipeptide_composition(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate the composition of AADs, dipeptide and 3-mers for a given protein sequence. Contains all composition
-        values of AADs, dipeptide and 3-mers (8420).
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with aa_dipeptide_composition feature added.
-        G.graph["aa_dipeptide_composition_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.AAComposition import CalculateAADipeptideComposition
-
-    func = CalculateAADipeptideComposition
-    feature_name = "aa_dipeptide_composition"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def aa_spectrum(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate the spectrum descriptors of 3-mers for a given protein. Contains the composition values of 8000 3-mers
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with aa_spectrum feature added. G.graph["aa_spectrum_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.AAComposition import GetSpectrumDict
-
-    func = GetSpectrumDict
-    feature_name = "aa_spectrum"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-######## CTD Funcs #######
-
-
-def all_composition_descriptors(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate all composition descriptors based on seven different properties of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with composition_descriptors feature added.
-        G.graph["composition_descriptors_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateC
-
-    func = CalculateC
-    feature_name = "composition_descriptors"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def all_ctd_descriptors(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate all CTD descriptors based seven different properties of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with ctd_descriptors feature added.
-        G.graph["ctd_descriptors_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateCTD
-
-    func = CalculateCTD
-    feature_name = "ctd_descriptors"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def composition_descriptor(
-    G: nx.Graph,
-    AAProperty: Dict[Any, Any],
-    AAPName: str,
-    aggregation_type: Optional[List[str]] = None,
-) -> nx.Graph:
-    """
-    Compute composition descriptors.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param AAProperty: contains classification of amino acids such as _Polarizability.
-    :type AAProperty: Dict[Any, Any]
-    :param AAPName: used for indicating a AAP name.
-    :type AAPName: str
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with composition_{AAPName} feature added.
-        G.graph["composition_{AAPName}_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateComposition
-
-    func = partial(
-        CalculateComposition, AAProperty=AAProperty, AAPName=AAPName
-    )
-    feature_name = f"composition_{AAPName}"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def composition_charge(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate composition descriptors based on Charge of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with composition_charge feature added.
-        G.graph["composition_charge_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateCompositionCharge
-
-    func = CalculateCompositionCharge
-    feature_name = "composition_charge"
-
-    G = compute_feature_over_chains(G, func, feature_name="composition_charge")
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def composition_hydrophobicity(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate composition descriptors based on Hydrophobicity of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with composition_hydrophobicity feature added.
-        G.graph["composition_hydrophobicity_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateCompositionHydrophobicity
-
-    func = CalculateCompositionHydrophobicity
-    feature_name = "composition_hydrophobicity"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def composition_normalized_vdwv(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate composition descriptors based on NormalizedVDWV of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with composition_normalized_vdwv feature added.
-        G.graph["composition_normalized_vdwv_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateCompositionNormalizedVDWV
-
-    func = CalculateCompositionNormalizedVDWV
-    feature_name = "composition_normalised_vdwv"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def composition_polarity(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate composition descriptors based on Polarity of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with composition_polarity feature added.
-        G.graph["composition_polarity_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateCompositionPolarity
-
-    func = CalculateCompositionPolarity
-    feature_name = "composition_polarity"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def composition_polarizability(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate composition descriptors based on Polarizability of AADs.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with composition_polarizability feature added.
-        G.graph["composition_polarizability_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateCompositionPolarizability
-
-    func = CalculateCompositionPolarizability
-    feature_name = "composition_polarizability"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def composition_secondary_str(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate composition descriptors based on SecondaryStr of AADs.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with composition_secondary_str feature added.
-        G.graph["composition_secondary_str_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateCompositionSecondaryStr
-
-    func = CalculateCompositionSecondaryStr
-    feature_name = "composition_secondary_str"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def composition_solvent_accessibility(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate composition descriptors based on SolventAccessibility of AADs.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with composition_solvent_accessibility feature added.
-        G.graph["composition_solvent_accessibility_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateCompositionSolventAccessibility
-
-    func = CalculateCompositionSolventAccessibility
-    feature_name = "composition_solvent_accessibility"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def all_distribution_descriptors(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate all distribution descriptors based on seven different properties of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with distribution_descriptors feature added.
-        G.graph["distribution_descriptors_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateC
-
-    func = CalculateC
-    feature_name = "distribution_descriptors"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def distribution_descriptor(
-    G: nx.Graph,
-    AAProperty: Dict[Any, Any],
-    AAPName: str,
-    aggregation_type: Optional[List[str]] = None,
-) -> nx.Graph:
-    """
-    Compute distribution descriptors.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param AAProperty: contains classifciation of amino acids such as _Polarizability.
-    :type AAProperty: Dict[Any, Any]
-    :param AAPName: used for indicating a AAP name.
-    :type AAPName: str
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with distribution_{AAPName} feature added.
-        G.graph["distribution_{AAPName}_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateDistribution
-
-    func = partial(
-        CalculateDistribution, AAProperty=AAProperty, AAPName=AAPName
-    )
-    feature_name = f"distribution_{AAPName}"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def distribution_charge(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate distribution descriptors based on Charge of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with distribution_charge feature added.
-        G.graph["distribution_charge_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateDistributionCharge
-
-    func = CalculateDistributionCharge
-    feature_name = "distribution_charge"
-
-    G = compute_feature_over_chains(
-        G, func, feature_name="distribution_charge"
-    )
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def distribution_hydrophobicity(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate distribution descriptors based on Hydrophobicity of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with distribution_hydrophobicity feature added.
-        G.graph["distribution_hydrophobicity_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateDistributionHydrophobicity
-
-    func = CalculateDistributionHydrophobicity
-    feature_name = "distribution_hydrophobicity"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def distribution_normalized_vdwv(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate distribution descriptors based on NormalizedVDWV of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with distribution_normalized_vdwv feature added.
-        G.graph["distribution_normalized_vdwv_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateDistributionNormalizedVDWV
-
-    func = CalculateDistributionNormalizedVDWV
-    feature_name = "distribution_normalised_vdwv"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def distribution_polarity(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate distribution descriptors based on Polarity of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with distribution_polarity feature added.
-        G.graph["distribution_polarity_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateDistributionPolarity
-
-    func = CalculateDistributionPolarity
-    feature_name = "distribution_polarity"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def distribution_polarizability(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate distribution descriptors based on Polarizability of AADs.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with distribution_polarizability feature added.
-        G.graph["distribution_polarizability_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateDistributionPolarizability
-
-    func = CalculateDistributionPolarizability
-    feature_name = "distribution_polarizability"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def distribution_secondary_str(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate distribution descriptors based on SecondaryStr of AADs.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with distribution_secondary_str feature added.
-        G.graph["distribution_secondary_str_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateDistributionSecondaryStr
-
-    func = CalculateDistributionSecondaryStr
-    feature_name = "distribution_secondary_str"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def distribution_solvent_accessibility(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate distribution descriptors based on SolventAccessibility of AADs.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with distribution_solvent_accessibility feature added.
-        G.graph["distribution_solvent_accessibility_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateDistributionSolventAccessibility
-
-    func = CalculateDistributionSolventAccessibility
-    feature_name = "distribution_solvent_accessibility"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def all_transition_descriptors(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate all transition descriptors based on seven different properties of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with transition_descriptors feature added.
-        G.graph["transition_descriptors_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateC
-
-    func = CalculateC
-    feature_name = "transition_descriptors"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def transition_descriptor(
-    G: nx.Graph,
-    AAProperty: Dict[Any, Any],
-    AAPName: str,
-    aggregation_type: Optional[List[str]] = None,
-) -> nx.Graph:
-    """
-    Compute transition descriptors.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param AAProperty: contains classifciation of amino acids such as _Polarizability.
-    :type AAProperty: Dict[Any, Any]
-    :param AAPName: used for indicating a AAP name.
-    :type AAPName: str
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with transition_{AAPName} feature added.
-        G.graph["transition_{AAPName}_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateTransition
-
-    func = partial(CalculateTransition, AAProperty=AAProperty, AAPName=AAPName)
-    feature_name = f"transition_{AAPName}"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def transition_charge(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate transition descriptors based on Charge of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with transition_charge feature added.
-        G.graph["transition_charge_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateTransitionCharge
-
-    func = CalculateTransitionCharge
-    feature_name = "transition_charge"
-
-    G = compute_feature_over_chains(G, func, feature_name="transition_charge")
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def transition_hydrophobicity(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Calculate transition descriptors based on Hydrophobicity of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with transition_hydrophobicity feature added.
-        G.graph["transition_hydrophobicity_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateTransitionHydrophobicity
-
-    func = CalculateTransitionHydrophobicity
-    feature_name = "transition_hydrophobicity"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def transition_normalized_vdwv(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate transition descriptors based on NormalizedVDWV of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with transition_normalized_vdwv feature added.
-        G.graph["transition_normalized_vdwv_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateTransitionNormalizedVDWV
-
-    func = CalculateTransitionNormalizedVDWV
-    feature_name = "transition_normalised_vdwv"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def transition_polarity(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate transition descriptors based on Polarity of AADs.
-
-    :param G: Protein Graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with transition_polarity feature added.
-        G.graph["transition_polarity_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateTransitionPolarity
-
-    func = CalculateTransitionPolarity
-    feature_name = "transition_polarity"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def transition_polarizability(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate transition descriptors based on Polarizability of AADs.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with transition_polarizability feature added.
-        G.graph["transition_polarizability_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateTransitionPolarizability
-
-    func = CalculateTransitionPolarizability
-    feature_name = "transition_polarizability"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def transition_secondary_str(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate transition descriptors based on SecondaryStr of AADs.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with transition_secondary_str feature added.
-        G.graph["transition_secondary_str_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateTransitionSecondaryStr
-
-    func = CalculateTransitionSecondaryStr
-    feature_name = "transition_secondary_str"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def transition_solvent_accessibility(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate transition descriptors based on SolventAccessibility of AADs.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with transition_solvent_accessibility feature added.
-        G.graph["transition_solvent_accessibility_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.CTD import CalculateTransitionSolventAccessibility
-
-    func = CalculateTransitionSolventAccessibility
-    feature_name = "transition_solvent_accessibility"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-####### Autocorrelation descriptors ########
-
-
-def autocorrelation_total(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Compute all autocorrelation descriptors based on 8 properties of AADs. result contains 30*8*3=720 normalized Moreau
-        Broto, Moran, and Geary
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_total feature added.
-        G.graph["autocorrelation_total_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateAutoTotal
-
-    func = CalculateAutoTotal
-    feature_name = "autocorrelation_total"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_geary_all(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Compute Geary autocorrelation descriptors based on 8 properties of AADs. Result contains 30*8=240 Geary
-        autocorrelation descriptors based on the given properties(i.e., _AAPropert).
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_geary_all feature added.
-        G.graph["autocorrelation_geary_all_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateGearyAutoTotal
-
-    func = CalculateGearyAutoTotal
-    feature_name = "autocorrelation_geary_all"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_geary_av_flexibility(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Geary Autocorrelation descriptors based on AvFlexibility. contains 30 Geary Autocorrelation
-        descriptors based on AvFlexibility.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_geary_av_flexibility feature added.
-        G.graph["autocorrelation_geary_av_flexibility_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateGearyAutoAvFlexibility
-
-    func = CalculateGearyAutoAvFlexibility
-    feature_name = "autocorrelation_geary_av_flexibility"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_geary_free_energy(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Geary Autocorrelation descriptors based on FreeEnergy. result contains 30 Geary Autocorrelation
-        descriptors based on FreeEnergy.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_geary_free_energy feature added.
-        G.graph["autocorrelation_geary_av_free_energy_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateGearyAutoFreeEnergy
-
-    func = CalculateGearyAutoFreeEnergy
-    feature_name = "autocorrelation_geary_free_energy"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_geary_hydrophobicity(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Geary Autocorrelation descriptors based on hydrophobicity. result contains 30 Geary Autocorrelation
-        descriptors based on hydrophobicity.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_geary_hydrophobicity feature added.
-        G.graph["autocorrelation_geary_hydrophobicity_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateGearyAutoHydrophobicity
-
-    func = CalculateGearyAutoHydrophobicity
-    feature_name = "autocorrelation_geary_hydrophobicity"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_geary_mutability(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Geary Autocorrelation descriptors based on Mutability. result contains 30 Geary Autocorrelation
-        descriptors based on mutability.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_geary_mutability feature added.
-        G.graph["autocorrelation_geary_mutability_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateGearyAutoMutability
-
-    func = CalculateGearyAutoMutability
-    feature_name = "autocorrelation_geary_mutability"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_geary_polarizability(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Geary Autocorrelation descriptors based on polarizability. result contains 30 Geary Autocorrelation
-        descriptors based on polarizability.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_geary_polarizability feature added.
-        G.graph["autocorrelation_geary_polarizability_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateGearyAutoPolarizability
-
-    func = CalculateGearyAutoPolarizability
-    feature_name = "autocorrelation_geary_polarizability"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_geary_residue_asa(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Geary Autocorrelation descriptors based on ResidueASA. result contains 30 Geary Autocorrelation
-        descriptors based on ResidueASA.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_geary_residue_asa feature added.
-        G.graph["autocorrelation_geary_residue_asa_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateGearyAutoResidueASA
-
-    func = CalculateGearyAutoResidueASA
-    feature_name = "autocorrelation_geary_residue_asa"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_geary_residue_vol(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Geary Autocorrelation descriptors based on ResidueVol. result contains 30 Geary Autocorrelation
-        descriptors based on ResidueVol.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_geary_residue_vol feature added.
-        G.graph["autocorrelation_geary_residue_vol_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateGearyAutoResidueVol
-
-    func = CalculateGearyAutoResidueVol
-    feature_name = "autocorrelation_geary_residue_vol"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_geary_steric(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Geary Autocorrelation descriptors based on Steric. result contains 30 Geary Autocorrelation
-        descriptors based on Steric
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_geary_steric feature added.
-        G.graph["autocorrelation_geary_steric_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateGearyAutoSteric
-
-    func = CalculateGearyAutoSteric()
-    feature_name = "autocorrelation_geary_steric"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_moran_all(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Compute Moran autocorrelation descriptors based on 8 properties of AADs. Result contains 30*8=240 Moran
-        autocorrelation descriptors based on the given properties(i.e., _AAPropert).
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_moran_all feature added.
-        G.graph["autocorrelation_moran_all_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateMoranAutoTotal
-
-    func = CalculateMoranAutoTotal
-    feature_name = "autocorrelation_moran_all"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_moran_av_flexibility(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Moran Autocorrelation descriptors based on AvFlexibility. contains 30 Moran Autocorrelation
-        descriptors based on AvFlexibility.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_moran_av_flexibility feature added.
-        G.graph["autocorrelation_moran_av_flexibility_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateMoranAutoAvFlexibility
-
-    func = CalculateMoranAutoAvFlexibility
-    feature_name = "autocorrelation_moran_av_flexibility"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_moran_free_energy(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Moran Autocorrelation descriptors based on FreeEnergy. result contains 30 Moran Autocorrelation
-        descriptors based on FreeEnergy.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_moran_free_energy feature added.
-        G.graph["autocorrelation_moran_av_free_energy_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateMoranAutoFreeEnergy
-
-    func = CalculateMoranAutoFreeEnergy
-    feature_name = "autocorrelation_moran_free_energy"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_moran_hydrophobicity(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Moran Autocorrelation descriptors based on hydrophobicity. result contains 30 Moran Autocorrelation
-        descriptors based on hydrophobicity.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_moran_hydrophobicity feature added.
-        G.graph["autocorrelation_moran_hydrophobicity_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateMoranAutoHydrophobicity
-
-    func = CalculateMoranAutoHydrophobicity
-    feature_name = "autocorrelation_moran_hydrophobicity"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_moran_mutability(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Moran Autocorrelation descriptors based on Mutability. result contains 30 Moran Autocorrelation
-        descriptors based on mutability.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_moran_mutability feature added.
-        G.graph["autocorrelation_moran_mutability_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateMoranAutoMutability
-
-    func = CalculateMoranAutoMutability
-    feature_name = "autocorrelation_moran_mutability"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_moran_polarizability(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Moran Autocorrelation descriptors based on polarizability. result contains 30 Moran Autocorrelation
-        descriptors based on polarizability.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_moran_polarizability feature added.
-        G.graph["autocorrelation_moran_polarizability_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateMoranAutoPolarizability
-
-    func = CalculateMoranAutoPolarizability
-    feature_name = "autocorrelation_moran_polarizability"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_moran_residue_asa(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Moran Autocorrelation descriptors based on ResidueASA. result contains 30 Moran Autocorrelation
-        descriptors based on ResidueASA.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_moran_residue_asa feature added.
-        G.graph["autocorrelation_moran_residue_asa_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateMoranAutoResidueASA
-
-    func = CalculateMoranAutoResidueASA
-    feature_name = "autocorrelation_moran_residue_asa"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_moran_residue_vol(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Moran Autocorrelation descriptors based on ResidueVol. result contains 30 Moran Autocorrelation
-        descriptors based on ResidueVol.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_moran_residue_vol feature added.
-        G.graph["autocorrelation_moran_residue_vol_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateMoranAutoResidueVol
-
-    func = CalculateMoranAutoResidueVol
-    feature_name = "autocorrelation_moran_residue_vol"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_moran_steric(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the Moran Autocorrelation descriptors based on Steric. result contains 30 Moran Autocorrelation
-        descriptors based on Steric
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_moran_steric feature added.
-        G.graph["autocorrelation_moran_steric_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateMoranAutoSteric
-
-    func = CalculateMoranAutoSteric()
-    feature_name = "autocorrelation_moran_steric"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_normalized_moreau_broto_all(
-    G: nx.Graph, aggregation_type: Optional[List[str]] = None
-) -> nx.Graph:
-    """
-    Compute NormalizedMoreauBroto autocorrelation descriptors based on 8 properties of AADs. Result contains 30*8=240
-        NormalizedMoreauBroto autocorrelation descriptors based on the given properties(i.e., _AAPropert).
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_normalized_moreau_broto_all feature added.
-        G.graph["autocorrelation_normalized_moreau_broto_all_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateNormalizedMoreauBrotoAutoTotal
-
-    func = CalculateNormalizedMoreauBrotoAutoTotal
-    feature_name = "autocorrelation_normalized_moreau_broto_all"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_normalized_moreau_broto_av_flexibility(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on AvFlexibility. contains 30
-        NormalizedMoreauBroto Autocorrelation descriptors based on AvFlexibility.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_normalized_moreau_broto_av_flexibility feature added.
-        G.graph["autocorrelation_normalized_moreau_broto_av_flexibility_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import (
-        CalculateNormalizedMoreauBrotoAutoAvFlexibility,
-    )
-
-    func = CalculateNormalizedMoreauBrotoAutoAvFlexibility
-    feature_name = "autocorrelation_normalized_moreau_broto_av_flexibility"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_normalized_moreau_broto_free_energy(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on FreeEnergy. result contains 30
-        NormalizedMoreauBroto Autocorrelation descriptors based on FreeEnergy.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_normalized_moreau_broto_free_energy feature added.
-        G.graph["autocorrelation_normalized_moreau_broto_av_free_energy_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import (
-        CalculateNormalizedMoreauBrotoAutoFreeEnergy,
-    )
-
-    func = CalculateNormalizedMoreauBrotoAutoFreeEnergy
-    feature_name = "autocorrelation_normalized_moreau_broto_free_energy"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_normalized_moreau_broto_hydrophobicity(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on hydrophobicity. result contains 30
-        NormalizedMoreauBroto Autocorrelation descriptors based on hydrophobicity.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_normalized_moreau_broto_hydrophobicity feature added.
-        G.graph["autocorrelation_normalized_moreau_broto_hydrophobicity_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import (
-        CalculateNormalizedMoreauBrotoAutoHydrophobicity,
-    )
-
-    func = CalculateNormalizedMoreauBrotoAutoHydrophobicity
-    feature_name = "autocorrelation_normalized_moreau_broto_hydrophobicity"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_normalized_moreau_broto_mutability(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on Mutability. result contains 30
-        NormalizedMoreauBroto Autocorrelation descriptors based on mutability.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_normalized_moreau_broto_mutability feature added.
-        G.graph["autocorrelation_normalized_moreau_broto_mutability_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import (
-        CalculateNormalizedMoreauBrotoAutoMutability,
-    )
-
-    func = CalculateNormalizedMoreauBrotoAutoMutability
-    feature_name = "autocorrelation_normalized_moreau_broto_mutability"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_normalized_moreau_broto_polarizability(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on polarizability. result contains 30
-        NormalizedMoreauBroto Autocorrelation descriptors based on polarizability.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_normalized_moreau_broto_polarizability feature added.
-        G.graph["autocorrelation_normalized_moreau_broto_polarizability_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import (
-        CalculateNormalizedMoreauBrotoAutoPolarizability,
-    )
-
-    func = CalculateNormalizedMoreauBrotoAutoPolarizability
-    feature_name = "autocorrelation_normalized_moreau_broto_polarizability"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_normalized_moreau_broto_residue_asa(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on ResidueASA. result contains 30
-        NormalizedMoreauBroto Autocorrelation descriptors based on ResidueASA.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_normalized_moreau_broto_residue_asa feature added.
-        G.graph["autocorrelation_normalized_moreau_broto_residue_asa_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import (
-        CalculateNormalizedMoreauBrotoAutoResidueASA,
-    )
-
-    func = CalculateNormalizedMoreauBrotoAutoResidueASA
-    feature_name = "autocorrelation_normalized_moreau_broto_residue_asa"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_normalized_moreau_broto_residue_vol(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on ResidueVol. result contains 30
-        NormalizedMoreauBroto Autocorrelation descriptors based on ResidueVol.
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_normalized_moreau_broto_residue_vol feature added.
-        G.graph["autocorrelation_normalized_moreau_broto_residue_vol_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import (
-        CalculateNormalizedMoreauBrotoAutoResidueVol,
-    )
-
-    func = CalculateNormalizedMoreauBrotoAutoResidueVol
-    feature_name = "autocorrelation_normalized_moreau_broto_residue_vol"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-def autocorrelation_normalized_moreau_broto_steric(
-    G: nx.Graph, aggregation_type: Optional[List[str]]
-) -> nx.Graph:
-    """
-    Calculate the NormalizedMoreauBroto Autocorrelation descriptors based on Steric. result contains 30
-        NormalizedMoreauBroto Autocorrelation descriptors based on Steric
-
-    :param G: Protein graph to featurise
-    :type G: nx.Graph
-    :param aggregation_type: Aggregation types to use over chains
-    :type aggregation_type: List[Optional[str]]
-    :return: Protein Graph with autocorrelation_normalized_moreau_broto_steric feature added.
-        G.graph["autocorrelation_normalized_moreau_broto_steric_{chain | aggregation_type}"]
-    :rtype: nx.Graph
-    """
-    from propy.Autocorrelation import CalculateNormalizedMoreauBrotoAutoSteric
-
-    func = CalculateNormalizedMoreauBrotoAutoSteric()
-    feature_name = "autocorrelation_normalized_moreau_broto_steric"
-
-    return compute_propy_feature(
-        G,
-        func=func,
-        feature_name=feature_name,
-        aggregation_type=aggregation_type,
-    )
-
-
-####### Quasi Sequence Order Descriptors ######
-
-
-def quasi_sequence_order_aa_composition(G: nx.Graph) -> nx.Graph:
-    from propy.QuasiSequenceOrder import GetAAComposition
-
-    func = GetAAComposition
-    G = compute_feature_over_chains(
-        G, func, feature_name="quasi_seq_order_aa_composition"
-    )
-
-    return G
-
-
-def quasi_sequence_order(
-    G: nx.Graph, maxlag: int = 30, weight: float = 0.1
-) -> nx.Graph:
-    """
-    Compute quasi-sequence-order descriptors for a given protein.
-
-    Kuo-Chen Chou. Prediction of Protein Subcellar Locations by Incorporating Quasi-Sequence-Order Effect.
-        Biochemical and Biophysical Research Communications 2000, 278, 477-483.
-
-    :param maxlag: (int, optional (default: 30)) – the maximum lag and the length of the protein should be larger than
-        maxlag
-    :type maxlag: int
-    :param weight: (float, optional (default: 0.1)) – a weight factor. Please see reference 1 for its choice.
-    :type weight: float
-    :returns:
-    :rtype: nx.Graph
-    """
-    from propy.QuasiSequenceOrder import GetQuasiSequenceOrder
-
-    func = partial(GetQuasiSequenceOrder, weight=weight, maxlag=maxlag)
-    G = compute_feature_over_chains(
-        G, func, feature_name="quasi_sequence_order"
-    )
-    return G
-
-
-def sequence_order_coupling_number_total(
-    G: nx.Graph, maxlag: int = 30
-) -> nx.Graph:
-    """
-    Compute the sequence order coupling numbers from 1 to maxlag for a given protein sequence.
-
-    :param G: Protein Graph
-    :type G: nx.Graph
-    :param maxlag (int, optional (default: 30)) – the maximum lag and the length of the protein should be larger
-    :type maxlag: int
-    :returns:
-    :rtype: nx.Graph
-    """
-    from propy.QuasiSequenceOrder import GetSequenceOrderCouplingNumberTotal
-
-    func = partial(GetSequenceOrderCouplingNumberTotal, maxlag=maxlag)
-    G = compute_feature_over_chains(
-        G, func, feature_name="sequence_order_coupling_number_total"
-    )
-
-    return G
-
-
-# Todo feature aggregation
-
-if __name__ == "__main__":
-    pass
diff --git a/graphein/protein_ligand/features/sequence/sequence.py b/graphein/protein_ligand/features/sequence/sequence.py
deleted file mode 100644
index 597ad56ab..000000000
--- a/graphein/protein_ligand/features/sequence/sequence.py
+++ /dev/null
@@ -1,38 +0,0 @@
-"""Functions for graph-level featurization of the sequence of a protein. This submodule is focussed on physicochemical
-proporties of the sequence."""
-# %%
-# Graphein
-# Author: Arian Jamasb <arian@jamasb.io>, Eric Ma
-# License: MIT
-# Project Website: https://github.com/a-r-j/graphein
-# Code Repository: https://github.com/a-r-j/graphein
-from __future__ import annotations
-
-from functools import partial
-
-import networkx as nx
-from Bio import SeqUtils
-from multipledispatch import dispatch
-
-from graphein.protein.features.sequence.utils import (
-    aggregate_feature_over_chains,
-    compute_feature_over_chains,
-)
-
-# from graphein.protein.features.utils import aggregate_graph_feature_over_chains
-
-
-@dispatch(str, str)
-def molecular_weight(protein: str, seq_type: str = "protein"):
-    func = partial(SeqUtils.molecular_weight, seq_type=seq_type)
-
-    return func(protein)
-
-
-@dispatch(nx.Graph, seq_type=str)
-def molecular_weight(protein, seq_type: str = "protein"):
-    func = partial(SeqUtils.molecular_weight, seq_type=seq_type)
-
-    return compute_feature_over_chains(
-        protein, func, feature_name="molecular_weight"
-    )
diff --git a/graphein/protein_ligand/features/sequence/utils.py b/graphein/protein_ligand/features/sequence/utils.py
deleted file mode 100644
index 27866e00d..000000000
--- a/graphein/protein_ligand/features/sequence/utils.py
+++ /dev/null
@@ -1,112 +0,0 @@
-"""Utility functions for sequence-based featurisation."""
-# Graphein
-# Author: Arian Jamasb <arian@jamasb.io>
-# License: MIT
-# Project Website: https://github.com/a-r-j/graphein
-# Code Repository: https://github.com/a-r-j/graphein
-from typing import Any, Callable, List
-
-import networkx as nx
-import numpy as np
-
-
-def compute_feature_over_chains(
-    G: nx.Graph, func: Callable, feature_name: str
-) -> nx.Graph:
-    """
-    Computes a sequence featurisation function over the chains in a graph.
-
-    :param G: nx.Graph protein structure graph to featurise.
-    :type G: nx.Graph
-    :param func: Sequence featurisation function.
-    :type func: Callable
-    :param feature_name: name of added feature.
-    :type feature_name: str
-    :return: Graph with added features of the form ``G.graph[f"{feature_name}_{chain_id}"]``.
-    :rtype: nx.Graph
-    """
-    for c in G.graph["chain_ids"]:
-        G.graph[f"{feature_name}_{c}"] = func(G.graph[f"sequence_{c}"])
-        """
-        feat = func(G.graph[f"sequence_{c}"])
-
-        if out_type == "series":
-            feat = pd.Series(feat)
-        elif out_type == "np":
-            raise NotImplementedError
-
-        G.graph[f"{feature_name}_{c}"] = feat
-        """
-    return G
-
-
-def aggregate_feature_over_chains(
-    G: nx.Graph, feature_name: str, aggregation_type: str
-) -> nx.Graph:
-    """
-    Performs aggregation of a given feature over chains in a graph to produce an aggregated value.
-
-    :param G: nx.Graph protein structure graph.
-    :type G: nx.Graph
-    :param feature_name: Name of feature to aggregate.
-    :type feature_name: str
-    :param aggregation_type: Type of aggregation to perform (``"min"``, ``"max"``, ``"mean"``, ``"sum"``).
-    :type aggregation_type: str
-    :raises ValueError: If ``aggregation_type`` is not one of ``"min"``, ``"max"``, ``"mean"``, ``"sum"``.
-    :return: Graph with new aggregated feature.
-    :rtype: nx.Graph
-    """
-
-    if aggregation_type == "max":
-        func = np.max
-    elif aggregation_type == "min":
-        func = np.min
-    elif aggregation_type == "mean":
-        func = np.mean
-    elif aggregation_type == "sum":
-        func = np.sum
-    else:
-        raise ValueError(
-            f"Unsupported aggregator: {aggregation_type}. Please use min, max, mean, sum"
-        )
-
-    G.graph[f"{feature_name}_{aggregation_type}"] = func(
-        [G.graph[f"{feature_name}_{c}"] for c in G.graph["chain_ids"]]
-    )
-    return G
-
-
-def sequence_to_ngram(sequence: str, N: int) -> List[str]:
-    """
-    Chops a sequence into overlapping N-grams (substrings of length ``N``).
-
-    :param sequence: str Sequence to convert to N-grams.
-    :type sequence: str
-    :param N: Length of N-grams.
-    :type N: int
-    :return: List of n-grams.
-    :rtype: List[str]
-    """
-    return [sequence[i : i + N] for i in range(len(sequence) - N + 1)]
-
-
-def subset_by_node_feature_value(
-    G: nx.Graph, feature_name: str, feature_value: Any
-) -> nx.Graph:
-    """
-    Extracts a subgraph from a protein structure graph based on nodes with a certain feature value.
-
-    :param G: nx.Graph protein structure graph to extract a subgraph from.
-    :type G: nx.Graph
-    :param feature_name: Name of feature to base subgraph extraction from.
-    :type feature_name: str
-    :param feature_value: Value of feature to select.
-    :type feature_value: Any
-    :return: Subgraph of ``G`` based on nodes with a given feature value.
-    :rtype: nx.Graph
-    """
-    node_list = [
-        n for n, d in G.nodes(data=True) if d[feature_name] == feature_value
-    ]
-
-    return G.subgraph(node_list)

From fffc28a0d4b965db2c7eaac134f3fe1087c25633 Mon Sep 17 00:00:00 2001
From: a-r-j <arjamasb@gmail.com>
Date: Wed, 6 Jul 2022 19:28:53 +0200
Subject: [PATCH 50/51] remove unneeded data files

---
 3v1w.pdb.gz       | Bin 76864 -> 0 bytes
 tmp_saved_mol.pdb |  16 ----------------
 2 files changed, 16 deletions(-)
 delete mode 100644 3v1w.pdb.gz
 delete mode 100644 tmp_saved_mol.pdb

diff --git a/3v1w.pdb.gz b/3v1w.pdb.gz
deleted file mode 100644
index 798f07ec2fdb656f4f1c294a6009fce98c15a1ee..0000000000000000000000000000000000000000
GIT binary patch
literal 0
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diff --git a/tmp_saved_mol.pdb b/tmp_saved_mol.pdb
deleted file mode 100644
index d5f76b60d..000000000
--- a/tmp_saved_mol.pdb
+++ /dev/null
@@ -1,16 +0,0 @@
-HETATM 2896  C1  MPD A 403      19.206  79.453  99.259  1.00 28.29           C  
-HETATM 2897  C2  MPD A 403      17.903  79.909  98.613  1.00 31.08           C  
-HETATM 2898  O2  MPD A 403      17.777  79.337  97.289  1.00 28.09           O  
-HETATM 2899  CM  MPD A 403      16.742  79.400  99.462  1.00 37.07           C  
-HETATM 2900  C3  MPD A 403      17.826  81.422  98.476  1.00 30.99           C  
-HETATM 2901  C4  MPD A 403      18.914  81.991  97.564  1.00 29.40           C  
-HETATM 2902  O4  MPD A 403      18.836  81.451  96.261  1.00 27.74           O  
-HETATM 2903  C5  MPD A 403      18.782  83.499  97.473  1.00 33.12           C  
-HETATM 2904  C1  MPD A 404      16.177 100.622 110.957  1.00 39.73           C  
-HETATM 2905  C2  MPD A 404      16.621  99.633 109.885  1.00 47.56           C  
-HETATM 2906  O2  MPD A 404      15.518  98.756 109.554  1.00 54.65           O  
-HETATM 2907  CM  MPD A 404      17.018 100.381 108.616  1.00 46.62           C  
-HETATM 2908  C3  MPD A 404      17.789  98.789 110.385  1.00 54.82           C  
-HETATM 2909  C4  MPD A 404      17.348  97.625 111.271  1.00 59.81           C  
-HETATM 2910  O4  MPD A 404      16.005  97.784 111.668  1.00 65.08           O  
-HETATM 2911  C5  MPD A 404      17.497  96.286 110.558  1.00 48.49           C  

From d81fc2f77b3562f61f70f257ddf509d5102b8bf6 Mon Sep 17 00:00:00 2001
From: "pre-commit-ci[bot]"
 <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Date: Wed, 23 Aug 2023 16:27:34 +0000
Subject: [PATCH 51/51] [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci
---
 Components-smiles-stereo-oe.smi               |    88 +-
 graphein/Components-smiles-stereo-oe.smi      |    88 +-
 graphein/molecule/graphs.py                   |     6 +-
 .../Components-smiles-stereo-oe.smi           |    88 +-
 graphein/protein_ligand/config.py             |    27 +-
 graphein/protein_ligand/edges/atomic.py       |    10 +-
 graphein/protein_ligand/edges/distance.py     |    54 +-
 .../protein_ligand/edges/intramolecular.py    |     1 -
 .../protein_ligand/features/nodes/__init__.py |     2 +-
 .../features/nodes/amino_acid.py              |     2 +-
 .../features/nodes/atom_type.py               |     3 +-
 .../protein_ligand/features/nodes/dssp.py     |     4 +-
 .../protein_ligand/features/nodes/geometry.py |     1 -
 graphein/protein_ligand/graphs.py             |    88 +-
 graphein/protein_ligand/visualisation.py      |     1 -
 tests/molecule/test_graphs.py                 |     2 +-
 tests/protein_ligand/test_data/1lds.pdb       |  2528 ++--
 tests/protein_ligand/test_data/3v1w.pdb       |  8132 +++++------
 tests/protein_ligand/test_data/4hhb.pdb       | 11696 ++++++++--------
 tests/protein_ligand/test_graphs.py           |     6 +-
 20 files changed, 11447 insertions(+), 11380 deletions(-)

diff --git a/Components-smiles-stereo-oe.smi b/Components-smiles-stereo-oe.smi
index f186e01f3..bfe01079b 100644
--- a/Components-smiles-stereo-oe.smi
+++ b/Components-smiles-stereo-oe.smi
@@ -287,7 +287,7 @@ C([C@H](C(=O)O)NC(=O)C(=O)O)S	08P	n-(carboxycarbonyl)-d-cysteine
 CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(NCCS)O)O	08Q	5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
 Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3OC	08R	6-{[(3s,4s)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
 CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3c(c4ccc(cc4s3)F)Cl	08S	3-chloro-6-fluoro-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]-1-benzothiophene-2-carboxamide
-[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F	08T	[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium 
+[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F	08T	[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium
 C([C@H]1[C@@H]([C@H]([C@H](O1)NC(=O)CBr)O)O)O	08U	2-bromanyl-n-[(2s,3r,4r,5s)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide
 CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C	08W	n-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1h-imidazole-4-carboxamide
 c1ccc(cc1)C=CC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)/C=C\C(=O)N2)C(=O)N)CCCNC(=O)c3cnccn3)CC4CCCCC4	08X	(2s,5s,8s,13s,16z)-5-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-2-(3-phenylprop-2-en-1-yl)-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxamide
@@ -436,7 +436,7 @@ CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O	0DN	5'-deoxy-5'-fluorothymidine
 Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@@]3CC[C@H](C[C@H]3C(=O)NC(C)(C)C)S(=O)(=O)c4ccncc4)O)C	0DO	(2r,4s)-n-tert-butyl-1-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxamide
 c1ccc(cc1)c2c(snn2)N	0DQ	4-phenyl-1,2,3-thiadiazol-5-amine
 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N	0DS	n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-l-leucyl-l-phenylalaninamide
-CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O	0DT	2'-deoxy-l-ribo-furanosyl thymidine-5'-monophosphate 
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O	0DT	2'-deoxy-l-ribo-furanosyl thymidine-5'-monophosphate
 CC1=CC(=C(C(=O)N1C)c2ccc(cc2)C[C@@H](C(=O)O)NC(=O)c3c(cccc3Cl)Cl)C(F)(F)F	0DU	n-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-l-phenylalanine
 C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)C(C)C)C)CO	0DV	(4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrod icyclopenta[a,d][8]annulen-4-yl alpha-d-gulopyranoside
 CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCOCC6)NCCCN7CCN(CC7)C)CCCN8CCOCC8	0DX	4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
@@ -1937,7 +1937,7 @@ c1ccc(c(c1)c2cc3c(c[nH]c3nc2)NC(=O)c4cnn5c4nc(cc5)NC[C@H]6CCNC[C@@H]6F)F	1OC	n-[
 C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCCNC(=O)c3cccc(c3O)O)CCCNC(=O)c4cccc(c4O)O	1OD	(4s,5r)-n,n-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
 c1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl	1OE	2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid
 c1c[n+](cc2c1C=CNC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1OF	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{h}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate
-CC(=O)OC/C/1=C(/N=C\[C@H]([C@@H](S(=O)(=O)C1)C(=O)OC(C)(C)C)C=O)\C(=O)O	1OG	 7-alkylidenecephalosporin dcm-1-10, bound form 
+CC(=O)OC/C/1=C(/N=C\[C@H]([C@@H](S(=O)(=O)C1)C(=O)OC(C)(C)C)C=O)\C(=O)O	1OG	 7-alkylidenecephalosporin dcm-1-10, bound form
 CC(C)(c1ccccc1)c2ccc(cc2)O	1OH	4-(1-methyl-1-phenylethyl)phenol
 COc1ccc2c(c1)-c3ccsc3NC2=O	1OI	8-methoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
 CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2cccc(c2)S(=O)(=O)N)Nc3ccc4cnccc4c3	1OJ	(2r)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-n-[(3-sulfamoylphenyl)sulfonyl]ethanamide
@@ -3013,7 +3013,7 @@ C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)/N=C/C=O	2L4	1-deoxy-1-({2,6-dioxo-5-[(e)-(
 c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl	2L5	2-chloro-l-phenylalanine
 C1C[C@]2(C=C[C@@H]3CC[C@H](N3C2=O)C(=O)O)NC1	2L6	(3s,6r,8as)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
 CC(C)(C(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N)Br	2L7	4-[(2-bromo-2-methylpropanoyl)amino]-l-phenylalanine
-CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)Cn3cc(nn3)CO[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O	2L8	[(2r,3s,5r)-3-[(1-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate 
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)Cn3cc(nn3)CO[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O	2L8	[(2r,3s,5r)-3-[(1-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
 C1CN[C@H]2[C@H]1C=C[C@H]3C=C[C@H](N3C2=O)C(=O)O	2L9	(3ar,5as,8s,10as)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid
 c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N)CN	2LA	2-amino-5-(aminomethyl)-7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
 C[C@@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O	2LB	(2s)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
@@ -3696,7 +3696,7 @@ COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N	35I	(2e)-
 c1cc(cnc1)CNC=S	35J	n-(pyridin-3-ylmethyl)thioformamide
 c1cc2c(cc1CC[C@@H](C(=O)O)N)NC(=O)C(=O)N2	35K	(2s)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid
 c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O	35M	2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
-c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4	35N	copper(ii) tetrapyrrole 
+c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4	35N	copper(ii) tetrapyrrole
 C[C@H](C(=O)Nc1ccc(cc1)OC)NC2=NC(=O)c3cnn(c3N2)C4CCCC4	35O	n~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl)-n-(4-methoxyphenyl)-d-alaninamide
 CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)COc2ccccc2)C(=O)O)C	35P	(2r,4s)-5,5-dimethyl-2-{(1r)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid
 CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cccc(c4)CN5CCOCC5	35Q	n-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
@@ -3769,7 +3769,7 @@ Cn1cnc2c1C(=O)NC(=O)N2C	37T	theobromine
 c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)F)N	37U	d-phenylalanyl-n-(3-fluorobenzyl)-l-prolinamide
 c1ccc2c(c1)nc(s2)CNC(=O)c3ccc(cc3OCC(=O)O)F	37V	{2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid
 Cc1ccc(cc1C)c2c(sc(c2C(=O)N)NC(=O)CCCC(=O)O)C	37W	5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid
-CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O	37X	octyl glucose neopentyl glycol 
+CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O	37X	octyl glucose neopentyl glycol
 C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3	37Y	n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide
 C(CCNCCCCN)CN	37Z	sym-homospermidine
 COc1ccc(cc1OC)[C@H](C(=O)NCc2ccccc2)Nc3ccc(cc3)C(=N)N	380	(2r)-2-({4-[amino(imino)methyl]phenyl}amino)-n-benzyl-2-(3,4-dimethoxyphenyl)acetamide
@@ -5446,7 +5446,7 @@ c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O	4LF	n-[2-[2,5-bis(oxidanylidene)pyrrol-1-
 COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5ccn(c5c4)CC(=O)OC	4LG	methyl (6-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetate
 CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	4LH	n-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide
 Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NC)C(=O)NC	4LI	(4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-methyl-1,3-thiazolidine-4-carboxamide
-C(CN)CBr	4LJ	1.7.6 3-bromanylpropan-1-amine 
+C(CN)CBr	4LJ	1.7.6 3-bromanylpropan-1-amine
 COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O	4LK	3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
 CCCCNc1ccc2cccc(c2n1)O	4LL	2-(butylamino)quinolin-8-ol
 C/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	4LM	(2e)-2-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid
@@ -6166,7 +6166,7 @@ CC(=O)N[C@H](CCP(=O)(C[C@H](CCC[C@H](C(=O)O)N)C(=O)O)O)C(=O)O	56W	(2r,6r)-2-{[(r
 CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C	56Y	4-acetyl-n-(3-carbamoylbenzyl)-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide
 COc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	56Z	4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
 Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)Nc4ccccc4C(=O)c5ccccc5	570	2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
-CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)[C@@H](c5ccccc5)O	571	5-[(2r)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium 
+CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)[C@@H](c5ccccc5)O	571	5-[(2r)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium
 CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO	572	4-[2-(hydroxymethyl)pyrimidin-4-yl]-n,n-dimethylpiperazine-1-sulfonamide
 C[C@@H](CONC(=O)c1c(c2cncc(c2o1)F)Nc3ccc(cc3F)I)O	573	7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-n-{[(2s)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide
 B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)c5ccccc5[C@@H](CN)O	574	[(3as,4r,6r,6ar)-2-{2-[(1s)-2-amino-1-hydroxyethyl]phenyl}-6-(6-amino-9h-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphite
@@ -6951,7 +6951,7 @@ CC(C)(COP(=O)(O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O	5UG	[(3~{s})-2,2-dimethyl-
 COc1ccc(cc1c2ccccc2)CC(=O)O	5UH	2-(4-methoxy-3-phenyl-phenyl)ethanoic acid
 CC(C)Oc1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F	5UI	1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
 c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl	5UJ	8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
-[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O	5UK	2-imino,3-carboxy,5-oxo,6-hydroxy hexanoic acid 
+[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O	5UK	2-imino,3-carboxy,5-oxo,6-hydroxy hexanoic acid
 c1cc(ccc1CC2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl	5UL	8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
 c1cc(sc1)CC(=O)Nc2ccc(cc2F)S(=O)(=O)N	5UM	n-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
 c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N	5UN	n-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
@@ -7969,7 +7969,7 @@ CN1CCN(CC1)Cc2ccc(cc2)c3cn4c5c3cnc(n5)NCCCCC(=O)NCCC4	6Q1	15-{4-[(4-methylpipera
 COc1cccc(c1)Nc2cc(nc3c2C(=O)NCC3)c4ccccc4	6Q2	4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6h)-one
 Cc1cc(nc(n1)N)OCCCO	6Q3	3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropan-1-ol
 CC(C)NC(=O)[C@H]1CCC[C@H]1Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)N(C)C4CCN(CC4)C)C(F)(F)F	6Q4	n-methyl-n-(1-methylpiperidin-4-yl)-4-{[4-({(1r,2s)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide
-C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	6Q5	ursolic acid 
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	6Q5	ursolic acid
 C[C@@H]1C[C@@H](CN(C1)C(=O)C[C@@H](c2ccc3c(c2)OCO3)c4c(cc(cc4OC)OC)O)C	6Q6	(3s)-3-(2h-1,3-benzodioxol-5-yl)-1-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
 CC(C)(C)c1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)c4ccc(cc4)C(=O)O	6Q7	4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1h-pyrazol-3-yl}benzoic acid
 Cc1c(c([nH]c1C(=O)Nc2ccc(cc2)F)C)S(=O)(=O)Nc3ccc4c[nH]nc4c3	6Q8	~{n}-(4-fluorophenyl)-4-(2~{h}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{h}-pyrrole-2-carboxamide
@@ -8477,7 +8477,7 @@ Cn1c(nc(n1)c2cnc(c(n2)c3ccc(cc3)C(=O)N)N)C4(CC4)c5ccccc5	74N	4-[3-azanyl-6-[1-me
 Cn1c(nc(n1)c2cnc(c(n2)c3c[nH]nc3)N)C4(CC4)c5ccccc5	74O	5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{h}-pyrazol-4-yl)pyrazin-2-amine
 CC(=O)C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	74P	(e)-n~6~-(1-carboxy-3-oxobutylidene)-l-lysine
 Cn1c(nc(n1)c2cnc(c(n2)n3c4ccccc4nn3)N)C5(CC5)c6ccccc6	74Q	3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine
-C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)Cn4c5ccccc5c6c4cccc6)CCc7ccccc7	74S	9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole 
+C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)Cn4c5ccccc5c6c4cccc6)CCc7ccccc7	74S	9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole
 CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC6CCN(CC6)C7CCCC7	74T	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate
 c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4	74U	n-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine
 CCN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C	74V	n-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-n-[(3s)-piperidin-3-yl]pyrimidine-5-carboxamide
@@ -9614,7 +9614,7 @@ C[C@H](c1cccc(c1)F)C(=O)Nc2cncc3c2cccc3	87H	(2r)-2-(3-fluorophenyl)-n-(isoquinol
 Cn1cncc1[C@](c2ccc3c(c2)c(c(c(n3)OC)c4ccc(cc4)S(=O)(=O)C)Cl)(c5ccc(nc5)C(F)(F)F)O	87J	(s)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
 c1ccc(cc1)[C@@H](C(=O)O)n2cccc2	87L	(2s)-2-phenyl-2-pyrrol-1-yl-ethanoic acid
 CCS(=O)(=O)Nc1ccc(c(c1)c2c3c(c([nH]2)C)C(=O)NN=C3)Oc4ccccc4	87M	n-[3-(7-methyl-1-oxo-2,6-dihydro-1h-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide
-C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O	87N	[(2~{r},3~{r},4~{s},5~{s},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate 
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O	87N	[(2~{r},3~{r},4~{s},5~{s},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
 CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O	87O	phosphono hexadecanoate
 Cc1c2c(c([nH]1)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C)CCCC2=O	87P	n-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide
 CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C	87R	6-methyl-n-[(1r)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
@@ -9967,7 +9967,7 @@ CCCCOC(=O)C	8JZ	butyl acetate
 c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O)O	8K0	5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid
 C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O	8K1	5'-o-[(r)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine
 c1cc(sc1S(=O)(=O)N)Cl	8K2	5-chloranylthiophene-2-sulfonamide
-COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F	8K4	2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone 
+COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F	8K4	2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone
 c1cc(ccc1CSC(=[NH2+])N)Cl	8K5	[azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium
 CCCCCCCCCCCCCCCCCC	8K6	octadecane
 COC12C[C@H]3CC(C1)C[C@@H](C2)C3(CC(=O)N4CC(C4)O)c5ccc(cc5)F	8K7	1-(3-hydroxyazetidin-1-yl)-2-[(2s,5r)-2-(4-fluorophenyl)-5-methoxyadamantan-2-yl]ethan-1-one
@@ -10514,7 +10514,7 @@ Cc1cc(ccc1F)S(=O)(=O)N[C@H](C2CCOCC2)C(=O)NO	915	(2r)-2-{[(4-fluoro-3-methylphen
 CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Oc3c2cc(s3)CC(C)(C)C)(C)C)O	916	n-[(2s,3r)-4-{[(4s)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2h-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide
 CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3cncs3	917	n-({(5s)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide
 c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F	918	5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
-CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC	919	4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1h-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-n-methylpyridine-2-carboxamide 
+CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC	919	4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1h-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-n-methylpyridine-2-carboxamide
 CC(C)C[C@H](CN)N1CCc2c(csc2C1=O)c3cccnc3	91A	6-[(2r)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one
 CN1CCN(CC1)c2cccc(c2)CN	91B	1-[3-(4-methylpiperazin-1-yl)phenyl]methanamine
 CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4ccccc4F)Cl	91D	n~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide
@@ -11606,7 +11606,7 @@ c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N	A12
 Cc1cc(nc(n1)N)C(F)(F)F	A13	4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
 CC1([C@@H]([C@@H]2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C	A14	(1s,4s,5s,7r)-7-{[(5s)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid
 c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O	A15	3'-3"-dichlorophenol-1,8-3h-benzo[de]isochromen-1-one
-C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3CC([C@H]([C@@H]([C@H]3O)O)O)CO	A16	4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranosyl)-beta-d-glucopyranose 
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3CC([C@H]([C@@H]([C@H]3O)O)O)CO	A16	4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranosyl)-beta-d-glucopyranose
 Cc1ccccc1c2c3ccc(cc3cnn2)c4cc(ccc4C)C(=O)NC5CC5	A17	n-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
 c1ccc(c(c1)Cc2ccc(o2)C(=O)O)Cl	A18	5-(2-chlorobenzyl)-2-furoic acid
 c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)O)Br)Cl	A19	5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid
@@ -11743,7 +11743,7 @@ Cc1cc([n+](c(c1)C(C)C)CCc2cnc[nH]2)C(C)C	A57	1-[2-(1h-imidazol-5-yl)ethyl]-4-met
 CC1CCC(CC1)NCc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(cc5)C(=O)O	A58	4-(6-{[(4-methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid
 CCCCCc1ccc(cc1/C=C\c2ccccn2)c3ccc(cc3)S(=O)(=O)CCO	A59	2-({4'-pentyl-3'-[(z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol
 C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	A5A	'5'-o-(n-(l-alanyl)-sulfamoyl)adenosine
-COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F	A5B	alisertib 
+COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F	A5B	alisertib
 C([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O	A5C	alpha-l-talofuranose
 c1ccc(cc1)CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	A5D	(2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol
 c1cc(sc1)C2=NNC(=O)CC2	A5E	3-thiophen-2-yl-4,5-dihydro-1~{h}-pyridazin-6-one
@@ -14547,12 +14547,12 @@ CC[C@@](C)(C#N)Nc1nc(nc(n1)Cl)NCC	CEB	2-chloro-4-ethylamino-6-(s(-)-2'-cyano-4-b
 C(CCl)NC=O	CEC	chloroethylcarbamoyl group
 CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O	CED	5-methyl-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
 c1ccc(cc1)CCCl	CEE	(2-chloroethyl)benzene
-CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O	CEF	cefotaxime, c3' cleaved, open, bound form 
+CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O	CEF	cefotaxime, c3' cleaved, open, bound form
 C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O	CEG	4,6-o-[(1s)-1-carboxyethylidene]-beta-d-glucopyranose
 C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)C	CEH	5-{3-(s)-(4-(r)-acetylamino-4-carboxy-butyrylamino)-3-[1-(r)-(1-(r)-carboxy-ethylcarbamoyl)-ethylcarbamoyl]-propyl}-2-( carboxy-phenylacetylamino-methyl)-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
 c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O	CEI	n-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
 C1CC(=O)CC1=O	CEJ	cyclopentane-1,3-dione
-CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O	CEK	(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-n-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide 
+CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O	CEK	(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-n-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
 Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	CEL	4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide
 C(C=O)C([C@H](C(=O)O)N\C=C/C=O)O	CEM	n-(1-carboxy-2-hydroxy-4-oxo-butyl)-n-(3-oxo-cispropenyl)amine
 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O	CEN	7beta-(4carboxybutanamido) cephalosporanic acid
@@ -15107,7 +15107,7 @@ Cc1cccc(c1)c2ccnc3n2ncc3C(=O)N	CU8	7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3
 C[N+]1(CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5OC)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)OC)(C)C)OC)C	CU9	6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium
 [Cu][Cu]	CUA	dinuclear copper ion
 CCCCN([C@@]12O[Mo+4]1(=O)S2)[Cu+]	CUB	cu(i)-s-mo(iv)(=o)o-nbic cluster
-C1CCC(CC1)[C@@H](C(=O)O)N	CUC	cyclohexylglycyl 
+C1CCC(CC1)[C@@H](C(=O)O)N	CUC	cyclohexylglycyl
 C1=CN(C(=O)N=C1N)C[C@H](C(=O)O)N	CUD	3-(4-amino-2-oxopyrimidin-1(2h)-yl)-d-alanine
 c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O	CUE	coumestrol
 c1cc2c(cc1OCCN3CCCCC3)O[Cu]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F	CUF	[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappao}(2-)]copper (ii)
@@ -17263,7 +17263,7 @@ c1cc(ccc1CC(=O)C(=O)O)O	ENO	3-(4-hydroxy-phenyl)pyruvic acid
 c1cn2cnc3c(c2n1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)OP(=O)(O)O	ENP	etheno-nadp
 c1c[n+]2cnc3c(c2[nH]1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)O	ENQ	[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(9h-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate
 CCn1c2ccc(cc2c3c1ccc(c3)OC(C)C)C(=O)NCc4ccc(cc4)S(=O)(=O)CC	ENR	9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide
-COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)C#N	ENS	methyl (2z)-3-[(3-chloro-1h-indol-7-yl)amino]-2-cyano-3-{[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate 
+COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)C#N	ENS	methyl (2z)-3-[(3-chloro-1h-indol-7-yl)amino]-2-cyano-3-{[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
 CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@@H]1C(=O)NC)NS(=O)(=O)O	ENT	3(r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester
 CCn1c2ccc(cc2c3c1ccc(c3)OC4CCCCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC	ENU	6-cyclohexyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
 CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCCC(=O)CF)O	ENV	(2r)-n-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide
@@ -18457,7 +18457,7 @@ c1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cncn3)O)F	FNZ	4-[(1s,2r)-3-(4-fluorophenyl
 CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)N[C@@H](C)c4cccnc4)C2=O	FO0	6-azanyl-11-methyl-2-oxidanylidene-n-[(1s)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
 c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	FO1	1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-d-ribitol
 CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4	FO2	8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
-CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	FO4	sphingomyelin 
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	FO4	sphingomyelin
 c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N	FO5	3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile
 c1cc(c(c(c1Oc2cc(cc(c2)Cl)F)Br)CO)S(=O)(=O)C(F)F	FO7	{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol
 c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6	FO8	8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
@@ -18604,7 +18604,7 @@ C[C@@H]1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)c3ccc(cc3)NC(=O)[C@](C)(CO)N)O[C@@
 c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O	FSE	3,7,3',4'-tetrahydroxyflavone
 O1[Fe][Fe][S@]2[Fe@]13[Fe]2S3	FSF	4fe-2s-o hybrid cluster
 [C@H](C(=O)NO)(F)P(=O)(O)O	FSG	[(1s)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]phosphonic acid
-Cc1cc2c(cc1C)N(C(=O)[C@@]3(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FSH	 (2r,3s,4s)-5-[(4r)-6',7'-dimethyl-2,3',5-trioxo-1'h-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'h)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate 
+Cc1cc2c(cc1C)N(C(=O)[C@@]3(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FSH	 (2r,3s,4s)-5-[(4r)-6',7'-dimethyl-2,3',5-trioxo-1'h-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'h)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate
 CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O	FSI	5-acetamido-3,5-dideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid
 C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CF)N)N)N)O	FSJ	(1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(fluoromethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside
 CC1=C(N(C(=O)NC1=O)C)/C=C(/CO)\CF	FSK	6-[(1z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione
@@ -18805,7 +18805,7 @@ c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O	FYJ	phenyl 1-thio-bet
 c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O	FYK	3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
 C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)OCC(CO)(CO)N)O	FYL	2-azanyl-2-[[4-[2-[3-[[2-[(1s)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol
 CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3c(cc2C(=O)NCc4ccc(cc4)OC)OCO3	FYM	2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid
-CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O	FYN	s-{(9r,13s,15r)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate 
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O	FYN	s-{(9r,13s,15r)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate
 C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N	FYO	4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1h-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile
 CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F	FYP	ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
 CNC(=O)C[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N	FYQ	n~2~-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-glutaminyl-l-aspartamide
@@ -19872,7 +19872,7 @@ COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C	GUW	~{n}-[3-(4-methoxy-7~{h}-pyrrolo[2,3
 C(CCCCN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O)CCCN=[N+]=[N-]	GUX	(1~{r},2~{s},3~{r},4~{s},5~{s},6~{r})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid
 CCCn1c(nnn1)NC(=O)c2ccco2	GUY	~{n}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide
 [C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1F)O)C(=O)O)O)O	GUZ	2-deoxy-2-fluoro-alpha-d-glucopyranuronic acid
-CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	GV0	golvatinib 
+CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	GV0	golvatinib
 Cc1c(sc2c1c(ncn2)N(C)C)C	GV1	~{n},~{n},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
 Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC6CCOCC6	GV2	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(oxan-4-yl)pyridine-4-carboxamide
 Cc1c(c(n(n1)C)C)NC(=O)CC#N	GV4	2-cyano-~{n}-(1,3,5-trimethylpyrazol-4-yl)ethanamide
@@ -20639,7 +20639,7 @@ c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)/C=C/C(=O)O	HHW	(~{e})-3-[3-[(4-chlorophenyl)carba
 c1ccc(cc1)c2nnc(o2)CCC(=O)O	HHY	3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid
 c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCNC(=O)COCCO	HHZ	[[(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
 CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl	HI0	(r)-n-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide
-CC(C)(C)[C@@H](C(=O)N[N@](CCC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)Br)NC(=O)OC	HI1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate 
+CC(C)(C)[C@@H](C(=O)N[N@](CCC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)Br)NC(=O)OC	HI1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate
 Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)NS(=O)(=O)C4CC4)Cc5cc(ccc5F)F	HI3	n-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide
 CCc1ccc2c(c1)c(c(n2Cc3cc(ccc3F)[N+](=O)[O-])C(=O)O)C4=CC=CNC4=O	HI4	5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid
 CCCC(=O)OC[C@H](COP(O)(O)(O)O)OC(=O)CCC	HI5	2-(butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate
@@ -21094,7 +21094,7 @@ CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)N)[C@@H](C2)C1	HUX	3-chloro-9-ethyl-6,7,8,9,1
 CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F	HUY	1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one
 CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCC(CC3)N(C)C	HUZ	(2~{s})-2-(butylamino)-~{n}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{h}-indol-3-yl)propanamide
 Cc1c(c2cc(ccn2n1)OC)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F	HV0	5-methoxy-2-methyl-~{n}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
-CC(C)(C)[C@@H](C(=O)NN(Cc1ccc(cc1)Br)C(=O)CC[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	HV1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate 
+CC(C)(C)[C@@H](C(=O)NN(Cc1ccc(cc1)Br)C(=O)CC[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	HV1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate
 C1C(CS1(=O)=O)O	HV2	1,1-bis(oxidanylidene)thietan-3-ol
 C#CCOc1ccc(cc1)/C=C\2/C(=O)NC(=S)S2	HV4	(5z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
 CC(C)(C)[C@@H](C(=O)O)N	HV5	tert-butylalanine
@@ -22198,7 +22198,7 @@ CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](
 CCOC(=O)c1ccc(cc1)OCCCCC2CCN(CC2)c3ccc(nn3)C	J80	(methylpyridazine piperidine butyloxyphenyl)ethylacetate
 CCCCCCCCCNC(=O)CCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O	J81	(5r,6s,7s)-5,6-dihydroxy-n-nonyl-7-(octanoylamino)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)
 C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4	J82	2-[2-(2-methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-6-morpholin-4-yl-3h-pyrimidin-4-one
-c1ccc(cc1)C2=C3C=CC4=[N]3[Co]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J83	co-5,10,15,20-tetraphenylporphyrin 
+c1ccc(cc1)C2=C3C=CC4=[N]3[Co]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J83	co-5,10,15,20-tetraphenylporphyrin
 c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N	J84	1-(2,4-dichlorophenyl)-4-(1h-tetrazol-5-yl)-1h-pyrazol-5-amine
 O[Mo]O([Mo]O)[Mo](=O)([O])O([Mo]O)[Mo]([O])([O])([O])[O]	J85	[[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum
 C[C@@H](NCc1cc(cc2c1NC(=O)C(=O)N2)Br)P(=O)(O)O	J86	[(1s)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid
@@ -25074,7 +25074,7 @@ c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N	M68	7-[2-[2-(3-chlorophenyl)ethylamino]ethy
 [H]/N=C(\NCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6A	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[n'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate
 [H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6B	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate
 C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	M6D	6-o-phosphono-beta-d-mannopyranose
-[H]/N=C(/NCCCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC	M6E	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[n'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate 
+[H]/N=C(/NCCCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC	M6E	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[n'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate
 [H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@@H]([C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)O)C)O)C)(C)O)OCC#C)C)/NC(=O)NC	M6F	(3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate
 [H]/N=C(\NCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6G	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[n'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate
 c1ccc(cc1)CC2NCCN2	M6H	2-(phenylmethyl)imidazolidine
@@ -25387,7 +25387,7 @@ CN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C1N	MG1	2'-deoxy-1-meth
 CCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N	MG5	2,3,4-tri-o-propanoyl-6-o-sulfamoyl-beta-d-glucopyranose
 C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	MG7	7-methylguanosine
 CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O	MG8	n-octanoyl-n-methylglucamine
-CC#C[C@H]1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N	MG9	2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol 
+CC#C[C@H]1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N	MG9	2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
 CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	MGA	beta-methyl-d-galactoside
 [H]/N=C(\N)/N/N=C/C(=NNC(=N)N)C	MGB	methylglyoxal bis-(guanylhydrazone)
 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)O	MGC	methyl 2-acetamido-2-deoxy-alpha-d-galactopyranoside
@@ -27826,7 +27826,7 @@ c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N5CCNCC5)N	OSZ
 CC12C3([Ir]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C	OT1	2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole
 c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O	OT2	7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{h}-naphthalene-1,3-disulfonic acid
 Cc1cc(nc2c1ccc(c2)c3cccc(c3)CCN)N	OT4	7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
-CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl	OT5	1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone 
+CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl	OT5	1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone
 c1ccc(cc1)Oc2ccc(cc2)n3cc(nn3)CNc4ccnc(c4)C(F)(F)F	OT8	~{n}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
 C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O	OTA	2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid
 CC(C)(C)OC(=O)O	OTB	tertiary-butoxyformic acid
@@ -27943,7 +27943,7 @@ C\C=C/C(=O)C(=O)O	OXP	2-oxo-3-pentenoic acid
 c1(c(non1)O)C(=O)O	OXQ	4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
 CC1=C(C(CCC1=O)(C)C)\C=C\C(=C\C=C\C(=C\CO)\C)\C	OXR	4-oxoretinol
 C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O	OXS	2-oxalosuccinic acid
-Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	OXT	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1r,11r,15s,17r)-19-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium 
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	OXT	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1r,11r,15s,17r)-19-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
 CCCCC(=O)NCCOCCOCCOCCNC(=O)C[N]1=C(Sc2c1cccc2)CC3=CC=[N](c4c3cccc4)C	OXV	~{n}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
 CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5ccc(cc5C#N)F	OXW	5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile
 C([C@@H](C(=O)O)N)C(=O)OC(=O)C(=O)[O-]	OXX	oxalyl-aspartyl anhydride
@@ -28913,7 +28913,7 @@ C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O	PRP	1-o-pyr
 c1ccc(c(c1)[C@H](CC(=O)O)N)[N+](=O)[O-]	PRQ	(3s)-3-amino-3-(2-nitrophenyl)propanoic acid
 C[n+]1cccc(c1)C[C@@H](C(=O)O)N	PRR	3-(methyl-pyridinium)alanine
 C1[C@H](NCS1)C(=O)O	PRS	thioproline
-[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	PRT	 phosphoribosyl atp 
+[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	PRT	 phosphoribosyl atp
 C[C@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	PRU	(3r,5r,7r)-octane-1,3,5,7-tetracarboxylic acid
 c1ccc(c(c1)[C@H](C(=O)O)N)[N+](=O)[O-]	PRV	(2r)-amino(2-nitrophenyl)ethanoic acid
 C([C@H]([C@H](C(=O)O)O)O)N	PRW	(2r,3r)-4-amino-2,3-dihydroxybutanoic acid
@@ -29356,18 +29356,18 @@ Cc1ccc(cc1)C[C@]2(C[C@H]2c3ccccc3)C(=O)O	Q7B	(1~{s},2~{s})-1-[(4-methylphenyl)me
 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1	Q7G	2-{[(4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25r)-spirost-5-en-3-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranoside
 CN1CCCN(C(=O)COc2cc(ccc2O[C@H]3CCOC=C3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7H	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H](CCO)O)O	Q7J	1,4-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
-CN1CCCN(C(=O)COc2cc(ccc2OC3CCOCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7K	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+CN1CCCN(C(=O)COc2cc(ccc2OC3CCOCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7K	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 c1ccc2c(c1)nc3c(c(n(c3n2)c4ccc(cc4)NC(=O)Nc5cccc(c5)C(F)(F)F)N)C(=O)N	Q7M	2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide
 COc1cccc(c1)CNC(=O)c2ccccc2[SeH]	Q7N	~{n}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCCO	Q7P	6-[(4-hydroxybutyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
-CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC	Q7Q	6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC	Q7Q	6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCO	Q7S	6-[(3-hydroxypropyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
 c1ccc(cc1)CNC(=O)c2ccccc2[SeH]	Q7T	~{n}-(phenylmethyl)-2-selanyl-benzamide
 Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl	Q7U	1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea
 [B+](CCCCCNCCCN)(O)(O)O	Q7V	5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
 c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)[SeH]	Q7W	~{n}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide
 C(CCC(=O)CS)CCNCCCN	Q7Y	7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one
-CN1CCCN(C(=O)COc2cc(ccc2OCCOC)Nc3c4c(c[nH]c4ncn3)C1)C	Q7Z	6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+CN1CCCN(C(=O)COc2cc(ccc2OCCOC)Nc3c4c(c[nH]c4ncn3)C1)C	Q7Z	6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 c1cc(ccc1CC[C@]2(OC[C@H](O2)CSc3ccc(cn3)C(F)(F)F)Cn4ccnc4)Cl	Q80	2-({[(2r,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H](C[C@@H](CO)O)O	Q81	1,3-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
 c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=NC#N)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O	Q82	{[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis(4-hydroxymethyl)methyl]-4,7-bis(phenylmethyl) -2h-1,3-diazepin-2-ylidene]cyanamide}
@@ -29377,16 +29377,16 @@ c1ccc(cc1)CCC(=O)Cn2cncn2	Q86	4-phenyl-1-(1h-1,2,4-triazol-1-yl)butan-2-one
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O	Q87	1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
 c1nc(c2c(n1)[nH]c(n2)N)N	Q88	9h-purine-6,8-diamine
 c1cc2cccnc2c(c1)N	Q8A	quinolin-8-amine
-CN1CCCN(C(=O)COc2cc(ccc2OCC(=O)NC3CCCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q8B	n-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide  
+CN1CCCN(C(=O)COc2cc(ccc2OCC(=O)NC3CCCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q8B	n-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide
 c1cc2c(cc1C(=O)O)nnn2C3CCCCC3	Q8D	1-cyclohexyl-1h-benzotriazole-5-carboxylic acid
 COc1ccc(cn1)CNC(=O)c2ccccc2[SeH]	Q8E	~{n}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide
 c1cc2c(cc1C(=O)O)ncn2C3CCCCC3	Q8G	1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
 c1ccc(c(c1)C(=O)NCc2cccnc2)[SeH]	Q8H	~{n}-(pyridin-3-ylmethyl)-2-selanyl-benzamide
 CCN1CCN(CC1)C(=O)Nc2cc(ccn2)c3cn(c4c3ccnc4)C5CCOCC5	Q8J	4-ethyl-n-{4-[1-(oxan-4-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide
-c1cc-2cc(c1)C(=O)NCCN(/C=C/N(c3ccn4c(c2cn4)n3)CCO)C5CC5	Q8K	11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one  
+c1cc-2cc(c1)C(=O)NCCN(/C=C/N(c3ccn4c(c2cn4)n3)CCO)C5CC5	Q8K	11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
 c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br	Q8M	5-bromo-3-chloro-n-(1-cyclopentyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
 CNC(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	Q8P	4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-n-methyl-1h-imidazole-2-carboxamide
-CN1CCNc2ccn3c(n2)c(cn3)-c4cccc(c4)C(=O)NCC1	Q8Q	11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one 
+CN1CCNc2ccn3c(n2)c(cn3)-c4cccc(c4)C(=O)NCC1	Q8Q	11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
 Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	Q8S	5-bromo-3-chloro-n-(1-cyclopentyl-2-methyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
 CN1CCN(CC1)c2ccc3cc2OCC(=O)N(CCCN(Cc4c[nH]c5c4c(ncn5)N3)C)C	Q8T	11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 CCOC(=O)/C(=C(/c1ccccc1)\N)/C#N	Q8V	ethyl (2z)-3-amino-2-cyano-3-phenylprop-2-enoate
@@ -29599,7 +29599,7 @@ Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC45CC6CC(C4)CC(C6)
 COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QHQ	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
 Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC4CCCCC4)C(=O)O	QHS	(r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
 Cc1cc(c(c(c1C)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C	QHT	5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
-Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3cccc(c3)c4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	QHV	(r)-3-(benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid 
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3cccc(c3)c4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	QHV	(r)-3-(benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
 Cc1cc(c(c(c1C)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C	QHW	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
 CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(=O)O	QHY	1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid
 COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)[C@H]4C[C@@H]4c5ccccc5	QHZ	1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid
@@ -31894,7 +31894,7 @@ CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc3ccccc3c2)O)O)(C(=O)
 CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Sc5cncnc5)Cl	SUY	(1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
 CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@](=O)C)F)CC(=O)O	SUZ	[(1z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1h-inden-3-yl]acetic acid
 c1ccc(cc1)CCOC(=O)Cc2ccc(cc2C=O)N	SV1	2-phenylethyl 2-(4-azanyl-2-methanoyl-phenyl)ethanoate
-c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N	SV2	[{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid) 
+c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N	SV2	[{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid)
 Cc1cccnc1N2CCCNCC2	SV4	1-(3-methylpyridin-2-yl)-1,4-diazepane
 c1ccc(cc1)Cn2ccc3c2C=CNC3=O	SV5	1-(phenylmethyl)-5~{h}-pyrrolo[3,2-c]pyridin-4-one
 CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5	SV6	(1s,3ar,6as)-2-[(2s)-2-({(2s)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-n-[(2r,3s)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide
@@ -33055,7 +33055,7 @@ CCCCCCCCCCCCCCCCCCCCCC	TWT	docosane
 CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO	TWV	4-({3-[2-(dimethylamino)ethyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide
 CCOC(=O)[C@@]1(N[C@@H](CS1)C(=O)O)CS	TWW	(2~{s},4~{r})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
 C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S	TWY	4-thio-beta-d-xylopyranose
-c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)OCCc1cn(nn1)CC(=O)O	TWZ	exostwz molecular tweezer 
+c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)OCCc1cn(nn1)CC(=O)O	TWZ	exostwz molecular tweezer
 c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-]	TX1	2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate
 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(NCCS)O)O	TX2	5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
 Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl	TX3	2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate
@@ -33472,7 +33472,7 @@ CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2cc(cc(c2)F)F	UDB	(s)-n-(cyclope
 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O[C@@](C)([C@H](CO)O)C(=O)O	UDC	2-acetamido-3-o-[(2s,3s)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-d-glucopyranose
 c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F	UDD	n-[4-(trifluoromethyl)phenyl]-n-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine
 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNC(=O)Nc4cccc(c4)S(=O)(=O)N	UDE	3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-3-yl)-1h-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide
-CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	UDG	(2r,3r,4r,5s,6r)-2-{[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3r)-3-hydroxytetradecanoyl]amino}tetrahydro-2h-pyran-4-yl (3r)-3-hydroxytetradecanoate 
+CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	UDG	(2r,3r,4r,5s,6r)-2-{[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3r)-3-hydroxytetradecanoyl]amino}tetrahydro-2h-pyran-4-yl (3r)-3-hydroxytetradecanoate
 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O	UDH	6-aminohexyl-uridine-c1,5'-diphosphate
 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C	UDJ	(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one
 CC1CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O	UDK	(r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide
@@ -35774,7 +35774,7 @@ CC[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N)S	XOK	(2~{s})-2-azanyl-6-[[(6~{s})-6-sulf
 Cc1ccc(cc1Cl)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4	XOM	(2s,4r)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one
 CN1[C@@H]2CC[C@H]1CC(C2)O[P@@](=O)(c3ccccc3)O	XOP	8-methyl-8-azabicyclo[3.2.1]octan-3-yl phenylphosphonate
 c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2)O	XOS	3-[(e)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
-Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CSCc4ccccc4)C(=O)O	XOU	(2r)-3-(benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid 
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CSCc4ccccc4)C(=O)O	XOU	(2r)-3-(benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid
 c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)C3CC4(C3)COC(=O)N4	XOV	(2s,4r)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one
 Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	XOY	(r)-3-(benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
 c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4	XP0	5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine
@@ -37079,7 +37079,7 @@ c1ccc(cc1)n2cc(cn2)C(=O)O	ZZA	1-phenyl-1h-pyrazole-4-carboxylic acid
 [B@@-]12(c3cc(c(cc3CO1)F)NCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	ZZB	[(1s,3s,5r,6r,8r)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
 CC(=O)[C@@H]([C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O	ZZC	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3r)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate
 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N	ZZD	s-trityl-l-cysteine
-CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N	ZZE	5-{[3,5-diethyl-1-(2-hydroxyethyl)-1h-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile 
+CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N	ZZE	5-{[3,5-diethyl-1-(2-hydroxyethyl)-1h-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile
 Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc3)S(=O)(=O)N	ZZF	4-({4-[(2,6-dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide
 Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c(c(c4)OC)OC)OC	ZZG	4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-n-(3,4,5-trimethoxyphenyl)pyridin-2-amine
 c1ccc(cc1)Cc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O	ZZH	(2s)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
diff --git a/graphein/Components-smiles-stereo-oe.smi b/graphein/Components-smiles-stereo-oe.smi
index 1dab2fdbe..09724db46 100644
--- a/graphein/Components-smiles-stereo-oe.smi
+++ b/graphein/Components-smiles-stereo-oe.smi
@@ -288,7 +288,7 @@ C([C@H](C(=O)O)NC(=O)C(=O)O)S	08P	n-(carboxycarbonyl)-d-cysteine
 CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(NCCS)O)O	08Q	5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
 Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3OC	08R	6-{[(3s,4s)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
 CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3c(c4ccc(cc4s3)F)Cl	08S	3-chloro-6-fluoro-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]-1-benzothiophene-2-carboxamide
-[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F	08T	[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium 
+[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F	08T	[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium
 C([C@H]1[C@@H]([C@H]([C@H](O1)NC(=O)CBr)O)O)O	08U	2-bromanyl-n-[(2s,3r,4r,5s)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide
 CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C	08W	n-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1h-imidazole-4-carboxamide
 c1ccc(cc1)C=CC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)/C=C\C(=O)N2)C(=O)N)CCCNC(=O)c3cnccn3)CC4CCCCC4	08X	(2s,5s,8s,13s,16z)-5-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-2-(3-phenylprop-2-en-1-yl)-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxamide
@@ -437,7 +437,7 @@ CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O	0DN	5'-deoxy-5'-fluorothymidine
 Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@@]3CC[C@H](C[C@H]3C(=O)NC(C)(C)C)S(=O)(=O)c4ccncc4)O)C	0DO	(2r,4s)-n-tert-butyl-1-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxamide
 c1ccc(cc1)c2c(snn2)N	0DQ	4-phenyl-1,2,3-thiadiazol-5-amine
 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N	0DS	n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-l-leucyl-l-phenylalaninamide
-CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O	0DT	2'-deoxy-l-ribo-furanosyl thymidine-5'-monophosphate 
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O	0DT	2'-deoxy-l-ribo-furanosyl thymidine-5'-monophosphate
 CC1=CC(=C(C(=O)N1C)c2ccc(cc2)C[C@@H](C(=O)O)NC(=O)c3c(cccc3Cl)Cl)C(F)(F)F	0DU	n-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-l-phenylalanine
 C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)C(C)C)C)CO	0DV	(4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrod icyclopenta[a,d][8]annulen-4-yl alpha-d-gulopyranoside
 CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCOCC6)NCCCN7CCN(CC7)C)CCCN8CCOCC8	0DX	4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
@@ -1938,7 +1938,7 @@ c1ccc(c(c1)c2cc3c(c[nH]c3nc2)NC(=O)c4cnn5c4nc(cc5)NC[C@H]6CCNC[C@@H]6F)F	1OC	n-[
 C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCCNC(=O)c3cccc(c3O)O)CCCNC(=O)c4cccc(c4O)O	1OD	(4s,5r)-n,n-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
 c1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl	1OE	2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid
 c1c[n+](cc2c1C=CNC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1OF	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{h}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate
-CC(=O)OC/C/1=C(/N=C\[C@H]([C@@H](S(=O)(=O)C1)C(=O)OC(C)(C)C)C=O)\C(=O)O	1OG	 7-alkylidenecephalosporin dcm-1-10, bound form 
+CC(=O)OC/C/1=C(/N=C\[C@H]([C@@H](S(=O)(=O)C1)C(=O)OC(C)(C)C)C=O)\C(=O)O	1OG	 7-alkylidenecephalosporin dcm-1-10, bound form
 CC(C)(c1ccccc1)c2ccc(cc2)O	1OH	4-(1-methyl-1-phenylethyl)phenol
 COc1ccc2c(c1)-c3ccsc3NC2=O	1OI	8-methoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
 CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2cccc(c2)S(=O)(=O)N)Nc3ccc4cnccc4c3	1OJ	(2r)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-n-[(3-sulfamoylphenyl)sulfonyl]ethanamide
@@ -3014,7 +3014,7 @@ C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)/N=C/C=O	2L4	1-deoxy-1-({2,6-dioxo-5-[(e)-(
 c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl	2L5	2-chloro-l-phenylalanine
 C1C[C@]2(C=C[C@@H]3CC[C@H](N3C2=O)C(=O)O)NC1	2L6	(3s,6r,8as)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
 CC(C)(C(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N)Br	2L7	4-[(2-bromo-2-methylpropanoyl)amino]-l-phenylalanine
-CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)Cn3cc(nn3)CO[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O	2L8	[(2r,3s,5r)-3-[(1-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate 
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)Cn3cc(nn3)CO[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O	2L8	[(2r,3s,5r)-3-[(1-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
 C1CN[C@H]2[C@H]1C=C[C@H]3C=C[C@H](N3C2=O)C(=O)O	2L9	(3ar,5as,8s,10as)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid
 c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N)CN	2LA	2-amino-5-(aminomethyl)-7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
 C[C@@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O	2LB	(2s)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
@@ -3697,7 +3697,7 @@ COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N	35I	(2e)-
 c1cc(cnc1)CNC=S	35J	n-(pyridin-3-ylmethyl)thioformamide
 c1cc2c(cc1CC[C@@H](C(=O)O)N)NC(=O)C(=O)N2	35K	(2s)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid
 c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O	35M	2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
-c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4	35N	copper(ii) tetrapyrrole 
+c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4	35N	copper(ii) tetrapyrrole
 C[C@H](C(=O)Nc1ccc(cc1)OC)NC2=NC(=O)c3cnn(c3N2)C4CCCC4	35O	n~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl)-n-(4-methoxyphenyl)-d-alaninamide
 CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)COc2ccccc2)C(=O)O)C	35P	(2r,4s)-5,5-dimethyl-2-{(1r)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid
 CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cccc(c4)CN5CCOCC5	35Q	n-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
@@ -3770,7 +3770,7 @@ Cn1cnc2c1C(=O)NC(=O)N2C	37T	theobromine
 c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)F)N	37U	d-phenylalanyl-n-(3-fluorobenzyl)-l-prolinamide
 c1ccc2c(c1)nc(s2)CNC(=O)c3ccc(cc3OCC(=O)O)F	37V	{2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid
 Cc1ccc(cc1C)c2c(sc(c2C(=O)N)NC(=O)CCCC(=O)O)C	37W	5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid
-CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O	37X	octyl glucose neopentyl glycol 
+CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O	37X	octyl glucose neopentyl glycol
 C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3	37Y	n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide
 C(CCNCCCCN)CN	37Z	sym-homospermidine
 COc1ccc(cc1OC)[C@H](C(=O)NCc2ccccc2)Nc3ccc(cc3)C(=N)N	380	(2r)-2-({4-[amino(imino)methyl]phenyl}amino)-n-benzyl-2-(3,4-dimethoxyphenyl)acetamide
@@ -5447,7 +5447,7 @@ c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O	4LF	n-[2-[2,5-bis(oxidanylidene)pyrrol-1-
 COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5ccn(c5c4)CC(=O)OC	4LG	methyl (6-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetate
 CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	4LH	n-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide
 Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NC)C(=O)NC	4LI	(4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-methyl-1,3-thiazolidine-4-carboxamide
-C(CN)CBr	4LJ	1.7.6 3-bromanylpropan-1-amine 
+C(CN)CBr	4LJ	1.7.6 3-bromanylpropan-1-amine
 COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O	4LK	3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
 CCCCNc1ccc2cccc(c2n1)O	4LL	2-(butylamino)quinolin-8-ol
 C/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	4LM	(2e)-2-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid
@@ -6167,7 +6167,7 @@ CC(=O)N[C@H](CCP(=O)(C[C@H](CCC[C@H](C(=O)O)N)C(=O)O)O)C(=O)O	56W	(2r,6r)-2-{[(r
 CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C	56Y	4-acetyl-n-(3-carbamoylbenzyl)-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide
 COc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	56Z	4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
 Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)Nc4ccccc4C(=O)c5ccccc5	570	2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
-CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)[C@@H](c5ccccc5)O	571	5-[(2r)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium 
+CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)[C@@H](c5ccccc5)O	571	5-[(2r)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium
 CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO	572	4-[2-(hydroxymethyl)pyrimidin-4-yl]-n,n-dimethylpiperazine-1-sulfonamide
 C[C@@H](CONC(=O)c1c(c2cncc(c2o1)F)Nc3ccc(cc3F)I)O	573	7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-n-{[(2s)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide
 B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)c5ccccc5[C@@H](CN)O	574	[(3as,4r,6r,6ar)-2-{2-[(1s)-2-amino-1-hydroxyethyl]phenyl}-6-(6-amino-9h-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphite
@@ -6952,7 +6952,7 @@ CC(C)(COP(=O)(O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O	5UG	[(3~{s})-2,2-dimethyl-
 COc1ccc(cc1c2ccccc2)CC(=O)O	5UH	2-(4-methoxy-3-phenyl-phenyl)ethanoic acid
 CC(C)Oc1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F	5UI	1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
 c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl	5UJ	8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
-[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O	5UK	2-imino,3-carboxy,5-oxo,6-hydroxy hexanoic acid 
+[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O	5UK	2-imino,3-carboxy,5-oxo,6-hydroxy hexanoic acid
 c1cc(ccc1CC2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl	5UL	8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
 c1cc(sc1)CC(=O)Nc2ccc(cc2F)S(=O)(=O)N	5UM	n-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
 c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N	5UN	n-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
@@ -7970,7 +7970,7 @@ CN1CCN(CC1)Cc2ccc(cc2)c3cn4c5c3cnc(n5)NCCCCC(=O)NCCC4	6Q1	15-{4-[(4-methylpipera
 COc1cccc(c1)Nc2cc(nc3c2C(=O)NCC3)c4ccccc4	6Q2	4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6h)-one
 Cc1cc(nc(n1)N)OCCCO	6Q3	3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropan-1-ol
 CC(C)NC(=O)[C@H]1CCC[C@H]1Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)N(C)C4CCN(CC4)C)C(F)(F)F	6Q4	n-methyl-n-(1-methylpiperidin-4-yl)-4-{[4-({(1r,2s)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide
-C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	6Q5	ursolic acid 
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	6Q5	ursolic acid
 C[C@@H]1C[C@@H](CN(C1)C(=O)C[C@@H](c2ccc3c(c2)OCO3)c4c(cc(cc4OC)OC)O)C	6Q6	(3s)-3-(2h-1,3-benzodioxol-5-yl)-1-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
 CC(C)(C)c1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)c4ccc(cc4)C(=O)O	6Q7	4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1h-pyrazol-3-yl}benzoic acid
 Cc1c(c([nH]c1C(=O)Nc2ccc(cc2)F)C)S(=O)(=O)Nc3ccc4c[nH]nc4c3	6Q8	~{n}-(4-fluorophenyl)-4-(2~{h}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{h}-pyrrole-2-carboxamide
@@ -8478,7 +8478,7 @@ Cn1c(nc(n1)c2cnc(c(n2)c3ccc(cc3)C(=O)N)N)C4(CC4)c5ccccc5	74N	4-[3-azanyl-6-[1-me
 Cn1c(nc(n1)c2cnc(c(n2)c3c[nH]nc3)N)C4(CC4)c5ccccc5	74O	5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{h}-pyrazol-4-yl)pyrazin-2-amine
 CC(=O)C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	74P	(e)-n~6~-(1-carboxy-3-oxobutylidene)-l-lysine
 Cn1c(nc(n1)c2cnc(c(n2)n3c4ccccc4nn3)N)C5(CC5)c6ccccc6	74Q	3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine
-C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)Cn4c5ccccc5c6c4cccc6)CCc7ccccc7	74S	9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole 
+C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)Cn4c5ccccc5c6c4cccc6)CCc7ccccc7	74S	9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole
 CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC6CCN(CC6)C7CCCC7	74T	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate
 c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4	74U	n-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine
 CCN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C	74V	n-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-n-[(3s)-piperidin-3-yl]pyrimidine-5-carboxamide
@@ -9615,7 +9615,7 @@ C[C@H](c1cccc(c1)F)C(=O)Nc2cncc3c2cccc3	87H	(2r)-2-(3-fluorophenyl)-n-(isoquinol
 Cn1cncc1[C@](c2ccc3c(c2)c(c(c(n3)OC)c4ccc(cc4)S(=O)(=O)C)Cl)(c5ccc(nc5)C(F)(F)F)O	87J	(s)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
 c1ccc(cc1)[C@@H](C(=O)O)n2cccc2	87L	(2s)-2-phenyl-2-pyrrol-1-yl-ethanoic acid
 CCS(=O)(=O)Nc1ccc(c(c1)c2c3c(c([nH]2)C)C(=O)NN=C3)Oc4ccccc4	87M	n-[3-(7-methyl-1-oxo-2,6-dihydro-1h-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide
-C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O	87N	[(2~{r},3~{r},4~{s},5~{s},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate 
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O	87N	[(2~{r},3~{r},4~{s},5~{s},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
 CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O	87O	phosphono hexadecanoate
 Cc1c2c(c([nH]1)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C)CCCC2=O	87P	n-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide
 CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C	87R	6-methyl-n-[(1r)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
@@ -9968,7 +9968,7 @@ CCCCOC(=O)C	8JZ	butyl acetate
 c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O)O	8K0	5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid
 C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O	8K1	5'-o-[(r)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine
 c1cc(sc1S(=O)(=O)N)Cl	8K2	5-chloranylthiophene-2-sulfonamide
-COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F	8K4	2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone 
+COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F	8K4	2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone
 c1cc(ccc1CSC(=[NH2+])N)Cl	8K5	[azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium
 CCCCCCCCCCCCCCCCCC	8K6	octadecane
 COC12C[C@H]3CC(C1)C[C@@H](C2)C3(CC(=O)N4CC(C4)O)c5ccc(cc5)F	8K7	1-(3-hydroxyazetidin-1-yl)-2-[(2s,5r)-2-(4-fluorophenyl)-5-methoxyadamantan-2-yl]ethan-1-one
@@ -10515,7 +10515,7 @@ Cc1cc(ccc1F)S(=O)(=O)N[C@H](C2CCOCC2)C(=O)NO	915	(2r)-2-{[(4-fluoro-3-methylphen
 CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Oc3c2cc(s3)CC(C)(C)C)(C)C)O	916	n-[(2s,3r)-4-{[(4s)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2h-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide
 CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3cncs3	917	n-({(5s)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide
 c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F	918	5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
-CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC	919	4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1h-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-n-methylpyridine-2-carboxamide 
+CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC	919	4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1h-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-n-methylpyridine-2-carboxamide
 CC(C)C[C@H](CN)N1CCc2c(csc2C1=O)c3cccnc3	91A	6-[(2r)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one
 CN1CCN(CC1)c2cccc(c2)CN	91B	1-[3-(4-methylpiperazin-1-yl)phenyl]methanamine
 CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4ccccc4F)Cl	91D	n~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide
@@ -11607,7 +11607,7 @@ c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N	A12
 Cc1cc(nc(n1)N)C(F)(F)F	A13	4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
 CC1([C@@H]([C@@H]2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C	A14	(1s,4s,5s,7r)-7-{[(5s)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid
 c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O	A15	3'-3"-dichlorophenol-1,8-3h-benzo[de]isochromen-1-one
-C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3CC([C@H]([C@@H]([C@H]3O)O)O)CO	A16	4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranosyl)-beta-d-glucopyranose 
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3CC([C@H]([C@@H]([C@H]3O)O)O)CO	A16	4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranosyl)-beta-d-glucopyranose
 Cc1ccccc1c2c3ccc(cc3cnn2)c4cc(ccc4C)C(=O)NC5CC5	A17	n-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
 c1ccc(c(c1)Cc2ccc(o2)C(=O)O)Cl	A18	5-(2-chlorobenzyl)-2-furoic acid
 c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)O)Br)Cl	A19	5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid
@@ -11744,7 +11744,7 @@ Cc1cc([n+](c(c1)C(C)C)CCc2cnc[nH]2)C(C)C	A57	1-[2-(1h-imidazol-5-yl)ethyl]-4-met
 CC1CCC(CC1)NCc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(cc5)C(=O)O	A58	4-(6-{[(4-methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid
 CCCCCc1ccc(cc1/C=C\c2ccccn2)c3ccc(cc3)S(=O)(=O)CCO	A59	2-({4'-pentyl-3'-[(z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol
 C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	A5A	'5'-o-(n-(l-alanyl)-sulfamoyl)adenosine
-COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F	A5B	alisertib 
+COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F	A5B	alisertib
 C([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O	A5C	alpha-l-talofuranose
 c1ccc(cc1)CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	A5D	(2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol
 c1cc(sc1)C2=NNC(=O)CC2	A5E	3-thiophen-2-yl-4,5-dihydro-1~{h}-pyridazin-6-one
@@ -14548,12 +14548,12 @@ CC[C@@](C)(C#N)Nc1nc(nc(n1)Cl)NCC	CEB	2-chloro-4-ethylamino-6-(s(-)-2'-cyano-4-b
 C(CCl)NC=O	CEC	chloroethylcarbamoyl group
 CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O	CED	5-methyl-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
 c1ccc(cc1)CCCl	CEE	(2-chloroethyl)benzene
-CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O	CEF	cefotaxime, c3' cleaved, open, bound form 
+CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O	CEF	cefotaxime, c3' cleaved, open, bound form
 C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O	CEG	4,6-o-[(1s)-1-carboxyethylidene]-beta-d-glucopyranose
 C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)C	CEH	5-{3-(s)-(4-(r)-acetylamino-4-carboxy-butyrylamino)-3-[1-(r)-(1-(r)-carboxy-ethylcarbamoyl)-ethylcarbamoyl]-propyl}-2-( carboxy-phenylacetylamino-methyl)-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
 c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O	CEI	n-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
 C1CC(=O)CC1=O	CEJ	cyclopentane-1,3-dione
-CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O	CEK	(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-n-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide 
+CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O	CEK	(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-n-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
 Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	CEL	4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide
 C(C=O)C([C@H](C(=O)O)N\C=C/C=O)O	CEM	n-(1-carboxy-2-hydroxy-4-oxo-butyl)-n-(3-oxo-cispropenyl)amine
 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O	CEN	7beta-(4carboxybutanamido) cephalosporanic acid
@@ -15108,7 +15108,7 @@ Cc1cccc(c1)c2ccnc3n2ncc3C(=O)N	CU8	7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3
 C[N+]1(CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5OC)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)OC)(C)C)OC)C	CU9	6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium
 [Cu][Cu]	CUA	dinuclear copper ion
 CCCCN([C@@]12O[Mo+4]1(=O)S2)[Cu+]	CUB	cu(i)-s-mo(iv)(=o)o-nbic cluster
-C1CCC(CC1)[C@@H](C(=O)O)N	CUC	cyclohexylglycyl 
+C1CCC(CC1)[C@@H](C(=O)O)N	CUC	cyclohexylglycyl
 C1=CN(C(=O)N=C1N)C[C@H](C(=O)O)N	CUD	3-(4-amino-2-oxopyrimidin-1(2h)-yl)-d-alanine
 c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O	CUE	coumestrol
 c1cc2c(cc1OCCN3CCCCC3)O[Cu]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F	CUF	[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappao}(2-)]copper (ii)
@@ -17264,7 +17264,7 @@ c1cc(ccc1CC(=O)C(=O)O)O	ENO	3-(4-hydroxy-phenyl)pyruvic acid
 c1cn2cnc3c(c2n1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)OP(=O)(O)O	ENP	etheno-nadp
 c1c[n+]2cnc3c(c2[nH]1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)O	ENQ	[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(9h-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate
 CCn1c2ccc(cc2c3c1ccc(c3)OC(C)C)C(=O)NCc4ccc(cc4)S(=O)(=O)CC	ENR	9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide
-COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)C#N	ENS	methyl (2z)-3-[(3-chloro-1h-indol-7-yl)amino]-2-cyano-3-{[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate 
+COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)C#N	ENS	methyl (2z)-3-[(3-chloro-1h-indol-7-yl)amino]-2-cyano-3-{[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
 CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@@H]1C(=O)NC)NS(=O)(=O)O	ENT	3(r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester
 CCn1c2ccc(cc2c3c1ccc(c3)OC4CCCCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC	ENU	6-cyclohexyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
 CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCCC(=O)CF)O	ENV	(2r)-n-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide
@@ -18458,7 +18458,7 @@ c1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cncn3)O)F	FNZ	4-[(1s,2r)-3-(4-fluorophenyl
 CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)N[C@@H](C)c4cccnc4)C2=O	FO0	6-azanyl-11-methyl-2-oxidanylidene-n-[(1s)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
 c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	FO1	1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-d-ribitol
 CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4	FO2	8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
-CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	FO4	sphingomyelin 
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	FO4	sphingomyelin
 c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N	FO5	3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile
 c1cc(c(c(c1Oc2cc(cc(c2)Cl)F)Br)CO)S(=O)(=O)C(F)F	FO7	{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol
 c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6	FO8	8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
@@ -18605,7 +18605,7 @@ C[C@@H]1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)c3ccc(cc3)NC(=O)[C@](C)(CO)N)O[C@@
 c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O	FSE	3,7,3',4'-tetrahydroxyflavone
 O1[Fe][Fe][S@]2[Fe@]13[Fe]2S3	FSF	4fe-2s-o hybrid cluster
 [C@H](C(=O)NO)(F)P(=O)(O)O	FSG	[(1s)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]phosphonic acid
-Cc1cc2c(cc1C)N(C(=O)[C@@]3(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FSH	 (2r,3s,4s)-5-[(4r)-6',7'-dimethyl-2,3',5-trioxo-1'h-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'h)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate 
+Cc1cc2c(cc1C)N(C(=O)[C@@]3(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FSH	 (2r,3s,4s)-5-[(4r)-6',7'-dimethyl-2,3',5-trioxo-1'h-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'h)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate
 CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O	FSI	5-acetamido-3,5-dideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid
 C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CF)N)N)N)O	FSJ	(1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(fluoromethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside
 CC1=C(N(C(=O)NC1=O)C)/C=C(/CO)\CF	FSK	6-[(1z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione
@@ -18806,7 +18806,7 @@ c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O	FYJ	phenyl 1-thio-bet
 c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O	FYK	3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
 C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)OCC(CO)(CO)N)O	FYL	2-azanyl-2-[[4-[2-[3-[[2-[(1s)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol
 CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3c(cc2C(=O)NCc4ccc(cc4)OC)OCO3	FYM	2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid
-CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O	FYN	s-{(9r,13s,15r)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate 
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O	FYN	s-{(9r,13s,15r)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate
 C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N	FYO	4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1h-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile
 CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F	FYP	ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
 CNC(=O)C[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N	FYQ	n~2~-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-glutaminyl-l-aspartamide
@@ -19873,7 +19873,7 @@ COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C	GUW	~{n}-[3-(4-methoxy-7~{h}-pyrrolo[2,3
 C(CCCCN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O)CCCN=[N+]=[N-]	GUX	(1~{r},2~{s},3~{r},4~{s},5~{s},6~{r})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid
 CCCn1c(nnn1)NC(=O)c2ccco2	GUY	~{n}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide
 [C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1F)O)C(=O)O)O)O	GUZ	2-deoxy-2-fluoro-alpha-d-glucopyranuronic acid
-CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	GV0	golvatinib 
+CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	GV0	golvatinib
 Cc1c(sc2c1c(ncn2)N(C)C)C	GV1	~{n},~{n},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
 Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC6CCOCC6	GV2	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(oxan-4-yl)pyridine-4-carboxamide
 Cc1c(c(n(n1)C)C)NC(=O)CC#N	GV4	2-cyano-~{n}-(1,3,5-trimethylpyrazol-4-yl)ethanamide
@@ -20640,7 +20640,7 @@ c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)/C=C/C(=O)O	HHW	(~{e})-3-[3-[(4-chlorophenyl)carba
 c1ccc(cc1)c2nnc(o2)CCC(=O)O	HHY	3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid
 c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCNC(=O)COCCO	HHZ	[[(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
 CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl	HI0	(r)-n-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide
-CC(C)(C)[C@@H](C(=O)N[N@](CCC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)Br)NC(=O)OC	HI1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate 
+CC(C)(C)[C@@H](C(=O)N[N@](CCC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)Br)NC(=O)OC	HI1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate
 Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)NS(=O)(=O)C4CC4)Cc5cc(ccc5F)F	HI3	n-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide
 CCc1ccc2c(c1)c(c(n2Cc3cc(ccc3F)[N+](=O)[O-])C(=O)O)C4=CC=CNC4=O	HI4	5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid
 CCCC(=O)OC[C@H](COP(O)(O)(O)O)OC(=O)CCC	HI5	2-(butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate
@@ -21095,7 +21095,7 @@ CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)N)[C@@H](C2)C1	HUX	3-chloro-9-ethyl-6,7,8,9,1
 CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F	HUY	1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one
 CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCC(CC3)N(C)C	HUZ	(2~{s})-2-(butylamino)-~{n}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{h}-indol-3-yl)propanamide
 Cc1c(c2cc(ccn2n1)OC)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F	HV0	5-methoxy-2-methyl-~{n}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
-CC(C)(C)[C@@H](C(=O)NN(Cc1ccc(cc1)Br)C(=O)CC[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	HV1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate 
+CC(C)(C)[C@@H](C(=O)NN(Cc1ccc(cc1)Br)C(=O)CC[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	HV1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate
 C1C(CS1(=O)=O)O	HV2	1,1-bis(oxidanylidene)thietan-3-ol
 C#CCOc1ccc(cc1)/C=C\2/C(=O)NC(=S)S2	HV4	(5z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
 CC(C)(C)[C@@H](C(=O)O)N	HV5	tert-butylalanine
@@ -22199,7 +22199,7 @@ CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](
 CCOC(=O)c1ccc(cc1)OCCCCC2CCN(CC2)c3ccc(nn3)C	J80	(methylpyridazine piperidine butyloxyphenyl)ethylacetate
 CCCCCCCCCNC(=O)CCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O	J81	(5r,6s,7s)-5,6-dihydroxy-n-nonyl-7-(octanoylamino)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)
 C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4	J82	2-[2-(2-methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-6-morpholin-4-yl-3h-pyrimidin-4-one
-c1ccc(cc1)C2=C3C=CC4=[N]3[Co]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J83	co-5,10,15,20-tetraphenylporphyrin 
+c1ccc(cc1)C2=C3C=CC4=[N]3[Co]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J83	co-5,10,15,20-tetraphenylporphyrin
 c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N	J84	1-(2,4-dichlorophenyl)-4-(1h-tetrazol-5-yl)-1h-pyrazol-5-amine
 O[Mo]O([Mo]O)[Mo](=O)([O])O([Mo]O)[Mo]([O])([O])([O])[O]	J85	[[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum
 C[C@@H](NCc1cc(cc2c1NC(=O)C(=O)N2)Br)P(=O)(O)O	J86	[(1s)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid
@@ -25075,7 +25075,7 @@ c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N	M68	7-[2-[2-(3-chlorophenyl)ethylamino]ethy
 [H]/N=C(\NCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6A	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[n'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate
 [H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6B	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate
 C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	M6D	6-o-phosphono-beta-d-mannopyranose
-[H]/N=C(/NCCCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC	M6E	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[n'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate 
+[H]/N=C(/NCCCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC	M6E	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[n'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate
 [H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@@H]([C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)O)C)O)C)(C)O)OCC#C)C)/NC(=O)NC	M6F	(3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate
 [H]/N=C(\NCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6G	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[n'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate
 c1ccc(cc1)CC2NCCN2	M6H	2-(phenylmethyl)imidazolidine
@@ -25388,7 +25388,7 @@ CN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C1N	MG1	2'-deoxy-1-meth
 CCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N	MG5	2,3,4-tri-o-propanoyl-6-o-sulfamoyl-beta-d-glucopyranose
 C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	MG7	7-methylguanosine
 CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O	MG8	n-octanoyl-n-methylglucamine
-CC#C[C@H]1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N	MG9	2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol 
+CC#C[C@H]1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N	MG9	2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
 CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	MGA	beta-methyl-d-galactoside
 [H]/N=C(\N)/N/N=C/C(=NNC(=N)N)C	MGB	methylglyoxal bis-(guanylhydrazone)
 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)O	MGC	methyl 2-acetamido-2-deoxy-alpha-d-galactopyranoside
@@ -27827,7 +27827,7 @@ c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N5CCNCC5)N	OSZ
 CC12C3([Ir]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C	OT1	2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole
 c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O	OT2	7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{h}-naphthalene-1,3-disulfonic acid
 Cc1cc(nc2c1ccc(c2)c3cccc(c3)CCN)N	OT4	7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
-CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl	OT5	1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone 
+CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl	OT5	1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone
 c1ccc(cc1)Oc2ccc(cc2)n3cc(nn3)CNc4ccnc(c4)C(F)(F)F	OT8	~{n}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
 C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O	OTA	2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid
 CC(C)(C)OC(=O)O	OTB	tertiary-butoxyformic acid
@@ -27944,7 +27944,7 @@ C\C=C/C(=O)C(=O)O	OXP	2-oxo-3-pentenoic acid
 c1(c(non1)O)C(=O)O	OXQ	4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
 CC1=C(C(CCC1=O)(C)C)\C=C\C(=C\C=C\C(=C\CO)\C)\C	OXR	4-oxoretinol
 C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O	OXS	2-oxalosuccinic acid
-Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	OXT	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1r,11r,15s,17r)-19-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium 
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	OXT	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1r,11r,15s,17r)-19-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
 CCCCC(=O)NCCOCCOCCOCCNC(=O)C[N]1=C(Sc2c1cccc2)CC3=CC=[N](c4c3cccc4)C	OXV	~{n}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
 CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5ccc(cc5C#N)F	OXW	5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile
 C([C@@H](C(=O)O)N)C(=O)OC(=O)C(=O)[O-]	OXX	oxalyl-aspartyl anhydride
@@ -28914,7 +28914,7 @@ C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O	PRP	1-o-pyr
 c1ccc(c(c1)[C@H](CC(=O)O)N)[N+](=O)[O-]	PRQ	(3s)-3-amino-3-(2-nitrophenyl)propanoic acid
 C[n+]1cccc(c1)C[C@@H](C(=O)O)N	PRR	3-(methyl-pyridinium)alanine
 C1[C@H](NCS1)C(=O)O	PRS	thioproline
-[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	PRT	 phosphoribosyl atp 
+[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	PRT	 phosphoribosyl atp
 C[C@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	PRU	(3r,5r,7r)-octane-1,3,5,7-tetracarboxylic acid
 c1ccc(c(c1)[C@H](C(=O)O)N)[N+](=O)[O-]	PRV	(2r)-amino(2-nitrophenyl)ethanoic acid
 C([C@H]([C@H](C(=O)O)O)O)N	PRW	(2r,3r)-4-amino-2,3-dihydroxybutanoic acid
@@ -29357,18 +29357,18 @@ Cc1ccc(cc1)C[C@]2(C[C@H]2c3ccccc3)C(=O)O	Q7B	(1~{s},2~{s})-1-[(4-methylphenyl)me
 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1	Q7G	2-{[(4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25r)-spirost-5-en-3-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranoside
 CN1CCCN(C(=O)COc2cc(ccc2O[C@H]3CCOC=C3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7H	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H](CCO)O)O	Q7J	1,4-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
-CN1CCCN(C(=O)COc2cc(ccc2OC3CCOCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7K	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+CN1CCCN(C(=O)COc2cc(ccc2OC3CCOCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7K	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 c1ccc2c(c1)nc3c(c(n(c3n2)c4ccc(cc4)NC(=O)Nc5cccc(c5)C(F)(F)F)N)C(=O)N	Q7M	2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide
 COc1cccc(c1)CNC(=O)c2ccccc2[SeH]	Q7N	~{n}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCCO	Q7P	6-[(4-hydroxybutyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
-CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC	Q7Q	6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC	Q7Q	6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCO	Q7S	6-[(3-hydroxypropyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
 c1ccc(cc1)CNC(=O)c2ccccc2[SeH]	Q7T	~{n}-(phenylmethyl)-2-selanyl-benzamide
 Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl	Q7U	1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea
 [B+](CCCCCNCCCN)(O)(O)O	Q7V	5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
 c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)[SeH]	Q7W	~{n}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide
 C(CCC(=O)CS)CCNCCCN	Q7Y	7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one
-CN1CCCN(C(=O)COc2cc(ccc2OCCOC)Nc3c4c(c[nH]c4ncn3)C1)C	Q7Z	6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+CN1CCCN(C(=O)COc2cc(ccc2OCCOC)Nc3c4c(c[nH]c4ncn3)C1)C	Q7Z	6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 c1cc(ccc1CC[C@]2(OC[C@H](O2)CSc3ccc(cn3)C(F)(F)F)Cn4ccnc4)Cl	Q80	2-({[(2r,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H](C[C@@H](CO)O)O	Q81	1,3-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
 c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=NC#N)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O	Q82	{[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis(4-hydroxymethyl)methyl]-4,7-bis(phenylmethyl) -2h-1,3-diazepin-2-ylidene]cyanamide}
@@ -29378,16 +29378,16 @@ c1ccc(cc1)CCC(=O)Cn2cncn2	Q86	4-phenyl-1-(1h-1,2,4-triazol-1-yl)butan-2-one
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O	Q87	1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
 c1nc(c2c(n1)[nH]c(n2)N)N	Q88	9h-purine-6,8-diamine
 c1cc2cccnc2c(c1)N	Q8A	quinolin-8-amine
-CN1CCCN(C(=O)COc2cc(ccc2OCC(=O)NC3CCCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q8B	n-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide  
+CN1CCCN(C(=O)COc2cc(ccc2OCC(=O)NC3CCCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q8B	n-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide
 c1cc2c(cc1C(=O)O)nnn2C3CCCCC3	Q8D	1-cyclohexyl-1h-benzotriazole-5-carboxylic acid
 COc1ccc(cn1)CNC(=O)c2ccccc2[SeH]	Q8E	~{n}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide
 c1cc2c(cc1C(=O)O)ncn2C3CCCCC3	Q8G	1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
 c1ccc(c(c1)C(=O)NCc2cccnc2)[SeH]	Q8H	~{n}-(pyridin-3-ylmethyl)-2-selanyl-benzamide
 CCN1CCN(CC1)C(=O)Nc2cc(ccn2)c3cn(c4c3ccnc4)C5CCOCC5	Q8J	4-ethyl-n-{4-[1-(oxan-4-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide
-c1cc-2cc(c1)C(=O)NCCN(/C=C/N(c3ccn4c(c2cn4)n3)CCO)C5CC5	Q8K	11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one  
+c1cc-2cc(c1)C(=O)NCCN(/C=C/N(c3ccn4c(c2cn4)n3)CCO)C5CC5	Q8K	11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
 c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br	Q8M	5-bromo-3-chloro-n-(1-cyclopentyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
 CNC(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	Q8P	4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-n-methyl-1h-imidazole-2-carboxamide
-CN1CCNc2ccn3c(n2)c(cn3)-c4cccc(c4)C(=O)NCC1	Q8Q	11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one 
+CN1CCNc2ccn3c(n2)c(cn3)-c4cccc(c4)C(=O)NCC1	Q8Q	11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
 Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	Q8S	5-bromo-3-chloro-n-(1-cyclopentyl-2-methyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
 CN1CCN(CC1)c2ccc3cc2OCC(=O)N(CCCN(Cc4c[nH]c5c4c(ncn5)N3)C)C	Q8T	11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 CCOC(=O)/C(=C(/c1ccccc1)\N)/C#N	Q8V	ethyl (2z)-3-amino-2-cyano-3-phenylprop-2-enoate
@@ -29600,7 +29600,7 @@ Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC45CC6CC(C4)CC(C6)
 COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QHQ	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
 Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC4CCCCC4)C(=O)O	QHS	(r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
 Cc1cc(c(c(c1C)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C	QHT	5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
-Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3cccc(c3)c4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	QHV	(r)-3-(benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid 
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3cccc(c3)c4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	QHV	(r)-3-(benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
 Cc1cc(c(c(c1C)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C	QHW	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
 CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(=O)O	QHY	1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid
 COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)[C@H]4C[C@@H]4c5ccccc5	QHZ	1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid
@@ -31895,7 +31895,7 @@ CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc3ccccc3c2)O)O)(C(=O)
 CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Sc5cncnc5)Cl	SUY	(1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
 CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@](=O)C)F)CC(=O)O	SUZ	[(1z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1h-inden-3-yl]acetic acid
 c1ccc(cc1)CCOC(=O)Cc2ccc(cc2C=O)N	SV1	2-phenylethyl 2-(4-azanyl-2-methanoyl-phenyl)ethanoate
-c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N	SV2	[{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid) 
+c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N	SV2	[{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid)
 Cc1cccnc1N2CCCNCC2	SV4	1-(3-methylpyridin-2-yl)-1,4-diazepane
 c1ccc(cc1)Cn2ccc3c2C=CNC3=O	SV5	1-(phenylmethyl)-5~{h}-pyrrolo[3,2-c]pyridin-4-one
 CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5	SV6	(1s,3ar,6as)-2-[(2s)-2-({(2s)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-n-[(2r,3s)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide
@@ -33056,7 +33056,7 @@ CCCCCCCCCCCCCCCCCCCCCC	TWT	docosane
 CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO	TWV	4-({3-[2-(dimethylamino)ethyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide
 CCOC(=O)[C@@]1(N[C@@H](CS1)C(=O)O)CS	TWW	(2~{s},4~{r})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
 C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S	TWY	4-thio-beta-d-xylopyranose
-c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)OCCc1cn(nn1)CC(=O)O	TWZ	exostwz molecular tweezer 
+c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)OCCc1cn(nn1)CC(=O)O	TWZ	exostwz molecular tweezer
 c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-]	TX1	2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate
 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(NCCS)O)O	TX2	5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
 Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl	TX3	2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate
@@ -33473,7 +33473,7 @@ CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2cc(cc(c2)F)F	UDB	(s)-n-(cyclope
 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O[C@@](C)([C@H](CO)O)C(=O)O	UDC	2-acetamido-3-o-[(2s,3s)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-d-glucopyranose
 c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F	UDD	n-[4-(trifluoromethyl)phenyl]-n-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine
 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNC(=O)Nc4cccc(c4)S(=O)(=O)N	UDE	3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-3-yl)-1h-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide
-CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	UDG	(2r,3r,4r,5s,6r)-2-{[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3r)-3-hydroxytetradecanoyl]amino}tetrahydro-2h-pyran-4-yl (3r)-3-hydroxytetradecanoate 
+CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	UDG	(2r,3r,4r,5s,6r)-2-{[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3r)-3-hydroxytetradecanoyl]amino}tetrahydro-2h-pyran-4-yl (3r)-3-hydroxytetradecanoate
 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O	UDH	6-aminohexyl-uridine-c1,5'-diphosphate
 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C	UDJ	(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one
 CC1CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O	UDK	(r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide
@@ -35775,7 +35775,7 @@ CC[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N)S	XOK	(2~{s})-2-azanyl-6-[[(6~{s})-6-sulf
 Cc1ccc(cc1Cl)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4	XOM	(2s,4r)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one
 CN1[C@@H]2CC[C@H]1CC(C2)O[P@@](=O)(c3ccccc3)O	XOP	8-methyl-8-azabicyclo[3.2.1]octan-3-yl phenylphosphonate
 c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2)O	XOS	3-[(e)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
-Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CSCc4ccccc4)C(=O)O	XOU	(2r)-3-(benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid 
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CSCc4ccccc4)C(=O)O	XOU	(2r)-3-(benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid
 c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)C3CC4(C3)COC(=O)N4	XOV	(2s,4r)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one
 Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	XOY	(r)-3-(benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
 c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4	XP0	5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine
@@ -37080,7 +37080,7 @@ c1ccc(cc1)n2cc(cn2)C(=O)O	ZZA	1-phenyl-1h-pyrazole-4-carboxylic acid
 [B@@-]12(c3cc(c(cc3CO1)F)NCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	ZZB	[(1s,3s,5r,6r,8r)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
 CC(=O)[C@@H]([C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O	ZZC	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3r)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate
 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N	ZZD	s-trityl-l-cysteine
-CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N	ZZE	5-{[3,5-diethyl-1-(2-hydroxyethyl)-1h-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile 
+CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N	ZZE	5-{[3,5-diethyl-1-(2-hydroxyethyl)-1h-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile
 Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc3)S(=O)(=O)N	ZZF	4-({4-[(2,6-dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide
 Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c(c(c4)OC)OC)OC	ZZG	4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-n-(3,4,5-trimethoxyphenyl)pyridin-2-amine
 c1ccc(cc1)Cc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O	ZZH	(2s)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
diff --git a/graphein/molecule/graphs.py b/graphein/molecule/graphs.py
index 1690cc923..b4df188f7 100644
--- a/graphein/molecule/graphs.py
+++ b/graphein/molecule/graphs.py
@@ -275,7 +275,7 @@ def construct_graph(
         rdmol = Chem.AddHs(rdmol)
 
     # If no coords are provided, add edges by bonds
-    #config.edge_construction_functions = [add_atom_bonds]
+    # config.edge_construction_functions = [add_atom_bonds]
     g = initialise_graph_with_metadata(
         name=name,
         rdmol=rdmol,
@@ -314,9 +314,7 @@ def construct_graph(
     return g
 
 
-def construct_junction_tree(
-    mol=Chem.Mol
-) -> nx.Graph:
+def construct_junction_tree(mol=Chem.Mol) -> nx.Graph:
     """
     Constructs molecule structure junction tree graph from a ``smiles``.
 
diff --git a/graphein/protein_ligand/Components-smiles-stereo-oe.smi b/graphein/protein_ligand/Components-smiles-stereo-oe.smi
index f186e01f3..bfe01079b 100644
--- a/graphein/protein_ligand/Components-smiles-stereo-oe.smi
+++ b/graphein/protein_ligand/Components-smiles-stereo-oe.smi
@@ -287,7 +287,7 @@ C([C@H](C(=O)O)NC(=O)C(=O)O)S	08P	n-(carboxycarbonyl)-d-cysteine
 CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(NCCS)O)O	08Q	5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
 Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3OC	08R	6-{[(3s,4s)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
 CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3c(c4ccc(cc4s3)F)Cl	08S	3-chloro-6-fluoro-n-[2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]ethyl]-1-benzothiophene-2-carboxamide
-[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F	08T	[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium 
+[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F	08T	[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium
 C([C@H]1[C@@H]([C@H]([C@H](O1)NC(=O)CBr)O)O)O	08U	2-bromanyl-n-[(2s,3r,4r,5s)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide
 CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C	08W	n-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1h-imidazole-4-carboxamide
 c1ccc(cc1)C=CC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)/C=C\C(=O)N2)C(=O)N)CCCNC(=O)c3cnccn3)CC4CCCCC4	08X	(2s,5s,8s,13s,16z)-5-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-2-(3-phenylprop-2-en-1-yl)-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxamide
@@ -436,7 +436,7 @@ CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O	0DN	5'-deoxy-5'-fluorothymidine
 Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@@]3CC[C@H](C[C@H]3C(=O)NC(C)(C)C)S(=O)(=O)c4ccncc4)O)C	0DO	(2r,4s)-n-tert-butyl-1-[(2s,3s)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfonyl)piperidine-2-carboxamide
 c1ccc(cc1)c2c(snn2)N	0DQ	4-phenyl-1,2,3-thiadiazol-5-amine
 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N	0DS	n-{(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-l-leucyl-l-phenylalaninamide
-CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O	0DT	2'-deoxy-l-ribo-furanosyl thymidine-5'-monophosphate 
+CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(O)O)O	0DT	2'-deoxy-l-ribo-furanosyl thymidine-5'-monophosphate
 CC1=CC(=C(C(=O)N1C)c2ccc(cc2)C[C@@H](C(=O)O)NC(=O)c3c(cccc3Cl)Cl)C(F)(F)F	0DU	n-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-l-phenylalanine
 C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)C(C)C)C)CO	0DV	(4r,5r,6r,6as,9s,9ae,10ar)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrod icyclopenta[a,d][8]annulen-4-yl alpha-d-gulopyranoside
 CN1CCN(CC1)CCCNc2cc3c4c5c2C(=O)N(C(=O)c5cc(c4C(=O)N(C3=O)CCCN6CCOCC6)NCCCN7CCN(CC7)C)CCCN8CCOCC8	0DX	4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2h,7h)-tetrone
@@ -1937,7 +1937,7 @@ c1ccc(c(c1)c2cc3c(c[nH]c3nc2)NC(=O)c4cnn5c4nc(cc5)NC[C@H]6CCNC[C@@H]6F)F	1OC	n-[
 C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N(CCCNC(=O)c3cccc(c3O)O)CCCNC(=O)c4cccc(c4O)O	1OD	(4s,5r)-n,n-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
 c1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl	1OE	2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid
 c1c[n+](cc2c1C=CNC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O	1OF	[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{h}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate
-CC(=O)OC/C/1=C(/N=C\[C@H]([C@@H](S(=O)(=O)C1)C(=O)OC(C)(C)C)C=O)\C(=O)O	1OG	 7-alkylidenecephalosporin dcm-1-10, bound form 
+CC(=O)OC/C/1=C(/N=C\[C@H]([C@@H](S(=O)(=O)C1)C(=O)OC(C)(C)C)C=O)\C(=O)O	1OG	 7-alkylidenecephalosporin dcm-1-10, bound form
 CC(C)(c1ccccc1)c2ccc(cc2)O	1OH	4-(1-methyl-1-phenylethyl)phenol
 COc1ccc2c(c1)-c3ccsc3NC2=O	1OI	8-methoxy-4~{h}-thieno[2,3-c]isoquinolin-5-one
 CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2cccc(c2)S(=O)(=O)N)Nc3ccc4cnccc4c3	1OJ	(2r)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-n-[(3-sulfamoylphenyl)sulfonyl]ethanamide
@@ -3013,7 +3013,7 @@ C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)/N=C/C=O	2L4	1-deoxy-1-({2,6-dioxo-5-[(e)-(
 c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl	2L5	2-chloro-l-phenylalanine
 C1C[C@]2(C=C[C@@H]3CC[C@H](N3C2=O)C(=O)O)NC1	2L6	(3s,6r,8as)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
 CC(C)(C(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N)Br	2L7	4-[(2-bromo-2-methylpropanoyl)amino]-l-phenylalanine
-CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)Cn3cc(nn3)CO[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O	2L8	[(2r,3s,5r)-3-[(1-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate 
+CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)Cn3cc(nn3)CO[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=C(C(=O)NC5=O)C)O	2L8	[(2r,3s,5r)-3-[(1-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
 C1CN[C@H]2[C@H]1C=C[C@H]3C=C[C@H](N3C2=O)C(=O)O	2L9	(3ar,5as,8s,10as)-10-oxo-1,2,3,3a,5a,8,10,10a-octahydrodipyrrolo[1,2-a:3',2'-e]azepine-8-carboxylic acid
 c1c(c2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N)CN	2LA	2-amino-5-(aminomethyl)-7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
 C[C@@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O	2LB	(2s)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
@@ -3696,7 +3696,7 @@ COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N	35I	(2e)-
 c1cc(cnc1)CNC=S	35J	n-(pyridin-3-ylmethyl)thioformamide
 c1cc2c(cc1CC[C@@H](C(=O)O)N)NC(=O)C(=O)N2	35K	(2s)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid
 c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O	35M	2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
-c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4	35N	copper(ii) tetrapyrrole 
+c1ccn(c1)[Cu](n2cccc2)(n3cccc3)n4cccc4	35N	copper(ii) tetrapyrrole
 C[C@H](C(=O)Nc1ccc(cc1)OC)NC2=NC(=O)c3cnn(c3N2)C4CCCC4	35O	n~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl)-n-(4-methoxyphenyl)-d-alaninamide
 CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)COc2ccccc2)C(=O)O)C	35P	(2r,4s)-5,5-dimethyl-2-{(1r)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid
 CN1CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F)(F)F)c4cccc(c4)CN5CCOCC5	35Q	n-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
@@ -3769,7 +3769,7 @@ Cn1cnc2c1C(=O)NC(=O)N2C	37T	theobromine
 c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)F)N	37U	d-phenylalanyl-n-(3-fluorobenzyl)-l-prolinamide
 c1ccc2c(c1)nc(s2)CNC(=O)c3ccc(cc3OCC(=O)O)F	37V	{2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid
 Cc1ccc(cc1C)c2c(sc(c2C(=O)N)NC(=O)CCCC(=O)O)C	37W	5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid
-CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O	37X	octyl glucose neopentyl glycol 
+CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O	37X	octyl glucose neopentyl glycol
 C[C@H](CO)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2ccc(cc2)OC)NC(=O)[C@@H](C)NC(=O)CN3CCOCC3	37Y	n-(morpholin-4-ylacetyl)-d-alanyl-n-[(2s,4r)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-o-methyl-l-tyrosinamide
 C(CCNCCCCN)CN	37Z	sym-homospermidine
 COc1ccc(cc1OC)[C@H](C(=O)NCc2ccccc2)Nc3ccc(cc3)C(=N)N	380	(2r)-2-({4-[amino(imino)methyl]phenyl}amino)-n-benzyl-2-(3,4-dimethoxyphenyl)acetamide
@@ -5446,7 +5446,7 @@ c1cc(c(c(c1)O)O)C(=O)NCCN2C(=O)C=CC2=O	4LF	n-[2-[2,5-bis(oxidanylidene)pyrrol-1-
 COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5ccn(c5c4)CC(=O)OC	4LG	methyl (6-{[(2r)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-6-oxopiperazin-2-yl]methoxy}-1h-indol-1-yl)acetate
 CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl	4LH	n-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide
 Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NC)C(=O)NC	4LI	(4r)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-n-methyl-1,3-thiazolidine-4-carboxamide
-C(CN)CBr	4LJ	1.7.6 3-bromanylpropan-1-amine 
+C(CN)CBr	4LJ	1.7.6 3-bromanylpropan-1-amine
 COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O	4LK	3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one
 CCCCNc1ccc2cccc(c2n1)O	4LL	2-(butylamino)quinolin-8-ol
 C/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O	4LM	(2e)-2-{[(1e)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid
@@ -6166,7 +6166,7 @@ CC(=O)N[C@H](CCP(=O)(C[C@H](CCC[C@H](C(=O)O)N)C(=O)O)O)C(=O)O	56W	(2r,6r)-2-{[(r
 CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C	56Y	4-acetyl-n-(3-carbamoylbenzyl)-3-ethyl-n,5-dimethyl-1h-pyrrole-2-carboxamide
 COc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3)S(=O)(=O)N)N	56Z	4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
 Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)Nc4ccccc4C(=O)c5ccccc5	570	2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
-CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)[C@@H](c5ccccc5)O	571	5-[(2r)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium 
+CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)[C@@H](c5ccccc5)O	571	5-[(2r)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium
 CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO	572	4-[2-(hydroxymethyl)pyrimidin-4-yl]-n,n-dimethylpiperazine-1-sulfonamide
 C[C@@H](CONC(=O)c1c(c2cncc(c2o1)F)Nc3ccc(cc3F)I)O	573	7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-n-{[(2s)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide
 B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)c5ccccc5[C@@H](CN)O	574	[(3as,4r,6r,6ar)-2-{2-[(1s)-2-amino-1-hydroxyethyl]phenyl}-6-(6-amino-9h-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphite
@@ -6951,7 +6951,7 @@ CC(C)(COP(=O)(O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCS)O	5UG	[(3~{s})-2,2-dimethyl-
 COc1ccc(cc1c2ccccc2)CC(=O)O	5UH	2-(4-methoxy-3-phenyl-phenyl)ethanoic acid
 CC(C)Oc1cccc(c1)c2cccc(n2)n3c(c(cn3)C(=O)O)C(F)(F)F	5UI	1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
 c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl	5UJ	8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
-[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O	5UK	2-imino,3-carboxy,5-oxo,6-hydroxy hexanoic acid 
+[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O	5UK	2-imino,3-carboxy,5-oxo,6-hydroxy hexanoic acid
 c1cc(ccc1CC2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl	5UL	8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
 c1cc(sc1)CC(=O)Nc2ccc(cc2F)S(=O)(=O)N	5UM	n-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
 c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N	5UN	n-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
@@ -7969,7 +7969,7 @@ CN1CCN(CC1)Cc2ccc(cc2)c3cn4c5c3cnc(n5)NCCCCC(=O)NCCC4	6Q1	15-{4-[(4-methylpipera
 COc1cccc(c1)Nc2cc(nc3c2C(=O)NCC3)c4ccccc4	6Q2	4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6h)-one
 Cc1cc(nc(n1)N)OCCCO	6Q3	3-(2-amino-6-methyl-pyrimidin-4-yl)oxypropan-1-ol
 CC(C)NC(=O)[C@H]1CCC[C@H]1Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)N(C)C4CCN(CC4)C)C(F)(F)F	6Q4	n-methyl-n-(1-methylpiperidin-4-yl)-4-{[4-({(1r,2s)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide
-C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	6Q5	ursolic acid 
+C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O	6Q5	ursolic acid
 C[C@@H]1C[C@@H](CN(C1)C(=O)C[C@@H](c2ccc3c(c2)OCO3)c4c(cc(cc4OC)OC)O)C	6Q6	(3s)-3-(2h-1,3-benzodioxol-5-yl)-1-[(3r,5s)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
 CC(C)(C)c1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)c4ccc(cc4)C(=O)O	6Q7	4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1h-pyrazol-3-yl}benzoic acid
 Cc1c(c([nH]c1C(=O)Nc2ccc(cc2)F)C)S(=O)(=O)Nc3ccc4c[nH]nc4c3	6Q8	~{n}-(4-fluorophenyl)-4-(2~{h}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{h}-pyrrole-2-carboxamide
@@ -8477,7 +8477,7 @@ Cn1c(nc(n1)c2cnc(c(n2)c3ccc(cc3)C(=O)N)N)C4(CC4)c5ccccc5	74N	4-[3-azanyl-6-[1-me
 Cn1c(nc(n1)c2cnc(c(n2)c3c[nH]nc3)N)C4(CC4)c5ccccc5	74O	5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{h}-pyrazol-4-yl)pyrazin-2-amine
 CC(=O)C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O	74P	(e)-n~6~-(1-carboxy-3-oxobutylidene)-l-lysine
 Cn1c(nc(n1)c2cnc(c(n2)n3c4ccccc4nn3)N)C5(CC5)c6ccccc6	74Q	3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine
-C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)Cn4c5ccccc5c6c4cccc6)CCc7ccccc7	74S	9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole 
+C[N+]1([C@@H]2CC[C@H]1CC(C2)n3cc(nn3)Cn4c5ccccc5c6c4cccc6)CCc7ccccc7	74S	9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole
 CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC6CCN(CC6)C7CCCC7	74T	(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl {(2s,3r)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate
 c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4	74U	n-[(furan-2-yl)methyl]-2-phenylquinazolin-4-amine
 CCN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C	74V	n-ethyl-4-{[(furan-2-yl)methyl]amino}-2-methyl-n-[(3s)-piperidin-3-yl]pyrimidine-5-carboxamide
@@ -9614,7 +9614,7 @@ C[C@H](c1cccc(c1)F)C(=O)Nc2cncc3c2cccc3	87H	(2r)-2-(3-fluorophenyl)-n-(isoquinol
 Cn1cncc1[C@](c2ccc3c(c2)c(c(c(n3)OC)c4ccc(cc4)S(=O)(=O)C)Cl)(c5ccc(nc5)C(F)(F)F)O	87J	(s)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1h-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
 c1ccc(cc1)[C@@H](C(=O)O)n2cccc2	87L	(2s)-2-phenyl-2-pyrrol-1-yl-ethanoic acid
 CCS(=O)(=O)Nc1ccc(c(c1)c2c3c(c([nH]2)C)C(=O)NN=C3)Oc4ccccc4	87M	n-[3-(7-methyl-1-oxo-2,6-dihydro-1h-pyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]ethanesulfonamide
-C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O	87N	[(2~{r},3~{r},4~{s},5~{s},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate 
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C)O	87N	[(2~{r},3~{r},4~{s},5~{s},6~{r})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{r},3~{s},5~{r})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
 CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O	87O	phosphono hexadecanoate
 Cc1c2c(c([nH]1)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C)CCCC2=O	87P	n-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2h-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide
 CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C	87R	6-methyl-n-[(1r)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
@@ -9967,7 +9967,7 @@ CCCCOC(=O)C	8JZ	butyl acetate
 c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O)O	8K0	5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid
 C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O	8K1	5'-o-[(r)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine
 c1cc(sc1S(=O)(=O)N)Cl	8K2	5-chloranylthiophene-2-sulfonamide
-COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F	8K4	2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone 
+COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F	8K4	2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone
 c1cc(ccc1CSC(=[NH2+])N)Cl	8K5	[azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium
 CCCCCCCCCCCCCCCCCC	8K6	octadecane
 COC12C[C@H]3CC(C1)C[C@@H](C2)C3(CC(=O)N4CC(C4)O)c5ccc(cc5)F	8K7	1-(3-hydroxyazetidin-1-yl)-2-[(2s,5r)-2-(4-fluorophenyl)-5-methoxyadamantan-2-yl]ethan-1-one
@@ -10514,7 +10514,7 @@ Cc1cc(ccc1F)S(=O)(=O)N[C@H](C2CCOCC2)C(=O)NO	915	(2r)-2-{[(4-fluoro-3-methylphen
 CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Oc3c2cc(s3)CC(C)(C)C)(C)C)O	916	n-[(2s,3r)-4-{[(4s)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2h-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide
 CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3cncs3	917	n-({(5s)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide
 c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F	918	5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
-CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC	919	4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1h-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-n-methylpyridine-2-carboxamide 
+CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC	919	4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1h-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-n-methylpyridine-2-carboxamide
 CC(C)C[C@H](CN)N1CCc2c(csc2C1=O)c3cccnc3	91A	6-[(2r)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4h)-one
 CN1CCN(CC1)c2cccc(c2)CN	91B	1-[3-(4-methylpiperazin-1-yl)phenyl]methanamine
 CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4ccccc4F)Cl	91D	n~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-n,n-dimethyl-beta-alaninamide
@@ -11606,7 +11606,7 @@ c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N	A12
 Cc1cc(nc(n1)N)C(F)(F)F	A13	4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
 CC1([C@@H]([C@@H]2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C	A14	(1s,4s,5s,7r)-7-{[(5s)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid
 c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O	A15	3'-3"-dichlorophenol-1,8-3h-benzo[de]isochromen-1-one
-C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3CC([C@H]([C@@H]([C@H]3O)O)O)CO	A16	4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranosyl)-beta-d-glucopyranose 
+C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3CC([C@H]([C@@H]([C@H]3O)O)O)CO	A16	4-o-(4,6-dideoxy-4-{[(1s,2s,3s,4r,5s)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-d-glucopyranosyl)-beta-d-glucopyranose
 Cc1ccccc1c2c3ccc(cc3cnn2)c4cc(ccc4C)C(=O)NC5CC5	A17	n-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
 c1ccc(c(c1)Cc2ccc(o2)C(=O)O)Cl	A18	5-(2-chlorobenzyl)-2-furoic acid
 c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)O)Br)Cl	A19	5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid
@@ -11743,7 +11743,7 @@ Cc1cc([n+](c(c1)C(C)C)CCc2cnc[nH]2)C(C)C	A57	1-[2-(1h-imidazol-5-yl)ethyl]-4-met
 CC1CCC(CC1)NCc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(cc5)C(=O)O	A58	4-(6-{[(4-methylcyclohexyl)amino]methyl}-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid
 CCCCCc1ccc(cc1/C=C\c2ccccn2)c3ccc(cc3)S(=O)(=O)CCO	A59	2-({4'-pentyl-3'-[(z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol
 C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N	A5A	'5'-o-(n-(l-alanyl)-sulfamoyl)adenosine
-COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F	A5B	alisertib 
+COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F	A5B	alisertib
 C([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O	A5C	alpha-l-talofuranose
 c1ccc(cc1)CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O	A5D	(2r,3r,4s,5s)-2-(6-amino-9h-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol
 c1cc(sc1)C2=NNC(=O)CC2	A5E	3-thiophen-2-yl-4,5-dihydro-1~{h}-pyridazin-6-one
@@ -14547,12 +14547,12 @@ CC[C@@](C)(C#N)Nc1nc(nc(n1)Cl)NCC	CEB	2-chloro-4-ethylamino-6-(s(-)-2'-cyano-4-b
 C(CCl)NC=O	CEC	chloroethylcarbamoyl group
 CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)Cc2cccs2)C(=O)O	CED	5-methyl-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
 c1ccc(cc1)CCCl	CEE	(2-chloroethyl)benzene
-CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O	CEF	cefotaxime, c3' cleaved, open, bound form 
+CO/N=C(/c1csc(n1)N)\C(=O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O	CEF	cefotaxime, c3' cleaved, open, bound form
 C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O	CEG	4,6-o-[(1s)-1-carboxyethylidene]-beta-d-glucopyranose
 C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)C	CEH	5-{3-(s)-(4-(r)-acetylamino-4-carboxy-butyrylamino)-3-[1-(r)-(1-(r)-carboxy-ethylcarbamoyl)-ethylcarbamoyl]-propyl}-2-( carboxy-phenylacetylamino-methyl)-3,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
 c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O	CEI	n-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
 C1CC(=O)CC1=O	CEJ	cyclopentane-1,3-dione
-CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O	CEK	(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-n-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide 
+CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O	CEK	(9as)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-n-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
 Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F	CEL	4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzenesulfonamide
 C(C=O)C([C@H](C(=O)O)N\C=C/C=O)O	CEM	n-(1-carboxy-2-hydroxy-4-oxo-butyl)-n-(3-oxo-cispropenyl)amine
 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O	CEN	7beta-(4carboxybutanamido) cephalosporanic acid
@@ -15107,7 +15107,7 @@ Cc1cccc(c1)c2ccnc3n2ncc3C(=O)N	CU8	7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3
 C[N+]1(CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5OC)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)OC)(C)C)OC)C	CU9	6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium
 [Cu][Cu]	CUA	dinuclear copper ion
 CCCCN([C@@]12O[Mo+4]1(=O)S2)[Cu+]	CUB	cu(i)-s-mo(iv)(=o)o-nbic cluster
-C1CCC(CC1)[C@@H](C(=O)O)N	CUC	cyclohexylglycyl 
+C1CCC(CC1)[C@@H](C(=O)O)N	CUC	cyclohexylglycyl
 C1=CN(C(=O)N=C1N)C[C@H](C(=O)O)N	CUD	3-(4-amino-2-oxopyrimidin-1(2h)-yl)-d-alanine
 c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O	CUE	coumestrol
 c1cc2c(cc1OCCN3CCCCC3)O[Cu]45[N](=C2)c6cc(c(cc6[N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F	CUF	[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappan)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappao}(2-)]copper (ii)
@@ -17263,7 +17263,7 @@ c1cc(ccc1CC(=O)C(=O)O)O	ENO	3-(4-hydroxy-phenyl)pyruvic acid
 c1cn2cnc3c(c2n1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)OP(=O)(O)O	ENP	etheno-nadp
 c1c[n+]2cnc3c(c2[nH]1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)O	ENQ	[[(2r,3s,4r,5r)-3,4-dihydroxy-5-(9h-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate
 CCn1c2ccc(cc2c3c1ccc(c3)OC(C)C)C(=O)NCc4ccc(cc4)S(=O)(=O)CC	ENR	9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide
-COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)C#N	ENS	methyl (2z)-3-[(3-chloro-1h-indol-7-yl)amino]-2-cyano-3-{[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate 
+COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)C#N	ENS	methyl (2z)-3-[(3-chloro-1h-indol-7-yl)amino]-2-cyano-3-{[(3s)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
 CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@@H]1C(=O)NC)NS(=O)(=O)O	ENT	3(r)-methylcarbamoyl-7-sulfoamino-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester
 CCn1c2ccc(cc2c3c1ccc(c3)OC4CCCCC4)C(=O)NCc5ccc(cc5)S(=O)(=O)CC	ENU	6-cyclohexyloxy-9-ethyl-~{n}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
 CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCCC(=O)CF)O	ENV	(2r)-n-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide
@@ -18457,7 +18457,7 @@ c1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cncn3)O)F	FNZ	4-[(1s,2r)-3-(4-fluorophenyl
 CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)N[C@@H](C)c4cccnc4)C2=O	FO0	6-azanyl-11-methyl-2-oxidanylidene-n-[(1s)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
 c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O	FO1	1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-d-ribitol
 CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4	FO2	8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
-CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	FO4	sphingomyelin 
+CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O	FO4	sphingomyelin
 c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N	FO5	3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile
 c1cc(c(c(c1Oc2cc(cc(c2)Cl)F)Br)CO)S(=O)(=O)C(F)F	FO7	{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol
 c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6	FO8	8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{h}-pyrido[3,4-d]pyrimidin-4-one
@@ -18604,7 +18604,7 @@ C[C@@H]1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)c3ccc(cc3)NC(=O)[C@](C)(CO)N)O[C@@
 c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O	FSE	3,7,3',4'-tetrahydroxyflavone
 O1[Fe][Fe][S@]2[Fe@]13[Fe]2S3	FSF	4fe-2s-o hybrid cluster
 [C@H](C(=O)NO)(F)P(=O)(O)O	FSG	[(1s)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]phosphonic acid
-Cc1cc2c(cc1C)N(C(=O)[C@@]3(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FSH	 (2r,3s,4s)-5-[(4r)-6',7'-dimethyl-2,3',5-trioxo-1'h-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'h)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate 
+Cc1cc2c(cc1C)N(C(=O)[C@@]3(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O	FSH	 (2r,3s,4s)-5-[(4r)-6',7'-dimethyl-2,3',5-trioxo-1'h-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'h)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate
 CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O	FSI	5-acetamido-3,5-dideoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid
 C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CF)N)N)N)O	FSJ	(1s,2s,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(fluoromethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-arabinopyranoside
 CC1=C(N(C(=O)NC1=O)C)/C=C(/CO)\CF	FSK	6-[(1z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1h,3h)-dione
@@ -18805,7 +18805,7 @@ c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O	FYJ	phenyl 1-thio-bet
 c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O	FYK	3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
 C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)OCC(CO)(CO)N)O	FYL	2-azanyl-2-[[4-[2-[3-[[2-[(1s)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol
 CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3c(cc2C(=O)NCc4ccc(cc4)OC)OCO3	FYM	2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid
-CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O	FYN	s-{(9r,13s,15r)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate 
+CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O	FYN	s-{(9r,13s,15r)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate
 C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N	FYO	4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1h-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile
 CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F	FYP	ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
 CNC(=O)C[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N	FYQ	n~2~-{(2r)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-l-glutaminyl-l-aspartamide
@@ -19872,7 +19872,7 @@ COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C	GUW	~{n}-[3-(4-methoxy-7~{h}-pyrrolo[2,3
 C(CCCCN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O)CCCN=[N+]=[N-]	GUX	(1~{r},2~{s},3~{r},4~{s},5~{s},6~{r})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid
 CCCn1c(nnn1)NC(=O)c2ccco2	GUY	~{n}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide
 [C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1F)O)C(=O)O)O)O	GUZ	2-deoxy-2-fluoro-alpha-d-glucopyranuronic acid
-CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	GV0	golvatinib 
+CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F	GV0	golvatinib
 Cc1c(sc2c1c(ncn2)N(C)C)C	GV1	~{n},~{n},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
 Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC6CCOCC6	GV2	3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{n}-(oxan-4-yl)pyridine-4-carboxamide
 Cc1c(c(n(n1)C)C)NC(=O)CC#N	GV4	2-cyano-~{n}-(1,3,5-trimethylpyrazol-4-yl)ethanamide
@@ -20639,7 +20639,7 @@ c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)/C=C/C(=O)O	HHW	(~{e})-3-[3-[(4-chlorophenyl)carba
 c1ccc(cc1)c2nnc(o2)CCC(=O)O	HHY	3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid
 c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)C#CCNC(=O)COCCO	HHZ	[[(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
 CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl	HI0	(r)-n-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide
-CC(C)(C)[C@@H](C(=O)N[N@](CCC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)Br)NC(=O)OC	HI1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate 
+CC(C)(C)[C@@H](C(=O)N[N@](CCC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)Br)NC(=O)OC	HI1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate
 Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)NS(=O)(=O)C4CC4)Cc5cc(ccc5F)F	HI3	n-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide
 CCc1ccc2c(c1)c(c(n2Cc3cc(ccc3F)[N+](=O)[O-])C(=O)O)C4=CC=CNC4=O	HI4	5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxylic acid
 CCCC(=O)OC[C@H](COP(O)(O)(O)O)OC(=O)CCC	HI5	2-(butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate
@@ -21094,7 +21094,7 @@ CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)N)[C@@H](C2)C1	HUX	3-chloro-9-ethyl-6,7,8,9,1
 CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F	HUY	1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one
 CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCC(CC3)N(C)C	HUZ	(2~{s})-2-(butylamino)-~{n}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{h}-indol-3-yl)propanamide
 Cc1c(c2cc(ccn2n1)OC)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F	HV0	5-methoxy-2-methyl-~{n}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
-CC(C)(C)[C@@H](C(=O)NN(Cc1ccc(cc1)Br)C(=O)CC[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	HV1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate 
+CC(C)(C)[C@@H](C(=O)NN(Cc1ccc(cc1)Br)C(=O)CC[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC	HV1	methyl [(1s)-1-({2-[(4r)-4-benzyl-4-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentanoyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate
 C1C(CS1(=O)=O)O	HV2	1,1-bis(oxidanylidene)thietan-3-ol
 C#CCOc1ccc(cc1)/C=C\2/C(=O)NC(=S)S2	HV4	(5z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
 CC(C)(C)[C@@H](C(=O)O)N	HV5	tert-butylalanine
@@ -22198,7 +22198,7 @@ CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](
 CCOC(=O)c1ccc(cc1)OCCCCC2CCN(CC2)c3ccc(nn3)C	J80	(methylpyridazine piperidine butyloxyphenyl)ethylacetate
 CCCCCCCCCNC(=O)CCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O	J81	(5r,6s,7s)-5,6-dihydroxy-n-nonyl-7-(octanoylamino)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)
 C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4	J82	2-[2-(2-methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-6-morpholin-4-yl-3h-pyrimidin-4-one
-c1ccc(cc1)C2=C3C=CC4=[N]3[Co]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J83	co-5,10,15,20-tetraphenylporphyrin 
+c1ccc(cc1)C2=C3C=CC4=[N]3[Co]56n7c2ccc7C(=C8[N]5=C(C=C8)C(=C9N6C(=C4c1ccccc1)C=C9)c1ccccc1)c1ccccc1	J83	co-5,10,15,20-tetraphenylporphyrin
 c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N	J84	1-(2,4-dichlorophenyl)-4-(1h-tetrazol-5-yl)-1h-pyrazol-5-amine
 O[Mo]O([Mo]O)[Mo](=O)([O])O([Mo]O)[Mo]([O])([O])([O])[O]	J85	[[[bis(oxidanylmolybdenio)-$l^{3}-oxidanyl]-$l^{1}-oxidanyl-oxidanylidene-molybdenio]-(oxidanylmolybdenio)-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)molybdenum
 C[C@@H](NCc1cc(cc2c1NC(=O)C(=O)N2)Br)P(=O)(O)O	J86	[(1s)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid
@@ -25074,7 +25074,7 @@ c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N	M68	7-[2-[2-(3-chlorophenyl)ethylamino]ethy
 [H]/N=C(\NCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6A	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[n'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate
 [H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6B	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate
 C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O	M6D	6-o-phosphono-beta-d-mannopyranose
-[H]/N=C(/NCCCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC	M6E	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[n'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate 
+[H]/N=C(/NCCCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)\NC(=O)NC	M6E	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[n'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate
 [H]/N=C(\NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@@H]([C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)O)C)O)C)(C)O)OCC#C)C)/NC(=O)NC	M6F	(3r,4s,5s,6r,7r,9r,10s,11s,12r,13s,14r)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[n'-(methylcarbamoyl)carbamimidamido]propyl}carbamate
 [H]/N=C(\NCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC	M6G	(1r,2r,3r,6r,7s,8s,9r,10r,12r,13s,17s)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[n'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate
 c1ccc(cc1)CC2NCCN2	M6H	2-(phenylmethyl)imidazolidine
@@ -25387,7 +25387,7 @@ CN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C1N	MG1	2'-deoxy-1-meth
 CCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N	MG5	2,3,4-tri-o-propanoyl-6-o-sulfamoyl-beta-d-glucopyranose
 C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O	MG7	7-methylguanosine
 CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O	MG8	n-octanoyl-n-methylglucamine
-CC#C[C@H]1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N	MG9	2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol 
+CC#C[C@H]1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N	MG9	2-{4-[(2s)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
 CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O	MGA	beta-methyl-d-galactoside
 [H]/N=C(\N)/N/N=C/C(=NNC(=N)N)C	MGB	methylglyoxal bis-(guanylhydrazone)
 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)O	MGC	methyl 2-acetamido-2-deoxy-alpha-d-galactopyranoside
@@ -27826,7 +27826,7 @@ c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N5CCNCC5)N	OSZ
 CC12C3([Ir]145(C2(C4(C53C)C)C)(C6=[N](c7ccccc7N6C)C)Cl)C	OT1	2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole
 c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O	OT2	7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{h}-naphthalene-1,3-disulfonic acid
 Cc1cc(nc2c1ccc(c2)c3cccc(c3)CCN)N	OT4	7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
-CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl	OT5	1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone 
+CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl	OT5	1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone
 c1ccc(cc1)Oc2ccc(cc2)n3cc(nn3)CNc4ccnc(c4)C(F)(F)F	OT8	~{n}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
 C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O	OTA	2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid
 CC(C)(C)OC(=O)O	OTB	tertiary-butoxyformic acid
@@ -27943,7 +27943,7 @@ C\C=C/C(=O)C(=O)O	OXP	2-oxo-3-pentenoic acid
 c1(c(non1)O)C(=O)O	OXQ	4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
 CC1=C(C(CCC1=O)(C)C)\C=C\C(=C\C=C\C(=C\CO)\C)\C	OXR	4-oxoretinol
 C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O	OXS	2-oxalosuccinic acid
-Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	OXT	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1r,11r,15s,17r)-19-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium 
+Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O	OXT	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1r,11r,15s,17r)-19-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
 CCCCC(=O)NCCOCCOCCOCCNC(=O)C[N]1=C(Sc2c1cccc2)CC3=CC=[N](c4c3cccc4)C	OXV	~{n}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
 CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5ccc(cc5C#N)F	OXW	5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile
 C([C@@H](C(=O)O)N)C(=O)OC(=O)C(=O)[O-]	OXX	oxalyl-aspartyl anhydride
@@ -28913,7 +28913,7 @@ C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O	PRP	1-o-pyr
 c1ccc(c(c1)[C@H](CC(=O)O)N)[N+](=O)[O-]	PRQ	(3s)-3-amino-3-(2-nitrophenyl)propanoic acid
 C[n+]1cccc(c1)C[C@@H](C(=O)O)N	PRR	3-(methyl-pyridinium)alanine
 C1[C@H](NCS1)C(=O)O	PRS	thioproline
-[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	PRT	 phosphoribosyl atp 
+[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O	PRT	 phosphoribosyl atp
 C[C@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O	PRU	(3r,5r,7r)-octane-1,3,5,7-tetracarboxylic acid
 c1ccc(c(c1)[C@H](C(=O)O)N)[N+](=O)[O-]	PRV	(2r)-amino(2-nitrophenyl)ethanoic acid
 C([C@H]([C@H](C(=O)O)O)O)N	PRW	(2r,3r)-4-amino-2,3-dihydroxybutanoic acid
@@ -29356,18 +29356,18 @@ Cc1ccc(cc1)C[C@]2(C[C@H]2c3ccccc3)C(=O)O	Q7B	(1~{s},2~{s})-1-[(4-methylphenyl)me
 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)CO[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1	Q7G	2-{[(4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25r)-spirost-5-en-3-yl]oxy}butyl 4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranoside
 CN1CCCN(C(=O)COc2cc(ccc2O[C@H]3CCOC=C3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7H	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H](CCO)O)O	Q7J	1,4-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
-CN1CCCN(C(=O)COc2cc(ccc2OC3CCOCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7K	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+CN1CCCN(C(=O)COc2cc(ccc2OC3CCOCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q7K	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 c1ccc2c(c1)nc3c(c(n(c3n2)c4ccc(cc4)NC(=O)Nc5cccc(c5)C(F)(F)F)N)C(=O)N	Q7M	2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1h-pyrrolo[2,3-b]quinoxaline-3-carboxamide
 COc1cccc(c1)CNC(=O)c2ccccc2[SeH]	Q7N	~{n}-[(3-methoxyphenyl)methyl]-2-selanyl-benzamide
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCCO	Q7P	6-[(4-hydroxybutyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
-CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC	Q7Q	6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+CN1CCCNCc2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)OCC1=O)OCCOC	Q7Q	6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCO	Q7S	6-[(3-hydroxypropyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
 c1ccc(cc1)CNC(=O)c2ccccc2[SeH]	Q7T	~{n}-(phenylmethyl)-2-selanyl-benzamide
 Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl	Q7U	1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea
 [B+](CCCCCNCCCN)(O)(O)O	Q7V	5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
 c1ccc(c(c1)C(=O)NCc2cccc(c2)Cl)[SeH]	Q7W	~{n}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide
 C(CCC(=O)CS)CCNCCCN	Q7Y	7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one
-CN1CCCN(C(=O)COc2cc(ccc2OCCOC)Nc3c4c(c[nH]c4ncn3)C1)C	Q7Z	6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one  
+CN1CCCN(C(=O)COc2cc(ccc2OCCOC)Nc3c4c(c[nH]c4ncn3)C1)C	Q7Z	6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 c1cc(ccc1CC[C@]2(OC[C@H](O2)CSc3ccc(cn3)C(F)(F)F)Cn4ccnc4)Cl	Q80	2-({[(2r,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H](C[C@@H](CO)O)O	Q81	1,3-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
 c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=NC#N)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O	Q82	{[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis(4-hydroxymethyl)methyl]-4,7-bis(phenylmethyl) -2h-1,3-diazepin-2-ylidene]cyanamide}
@@ -29377,16 +29377,16 @@ c1ccc(cc1)CCC(=O)Cn2cncn2	Q86	4-phenyl-1-(1h-1,2,4-triazol-1-yl)butan-2-one
 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O	Q87	1-deoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
 c1nc(c2c(n1)[nH]c(n2)N)N	Q88	9h-purine-6,8-diamine
 c1cc2cccnc2c(c1)N	Q8A	quinolin-8-amine
-CN1CCCN(C(=O)COc2cc(ccc2OCC(=O)NC3CCCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q8B	n-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide  
+CN1CCCN(C(=O)COc2cc(ccc2OCC(=O)NC3CCCC3)Nc4c5c(c[nH]c5ncn4)C1)C	Q8B	n-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide
 c1cc2c(cc1C(=O)O)nnn2C3CCCCC3	Q8D	1-cyclohexyl-1h-benzotriazole-5-carboxylic acid
 COc1ccc(cn1)CNC(=O)c2ccccc2[SeH]	Q8E	~{n}-[(6-methoxypyridin-3-yl)methyl]-2-selanyl-benzamide
 c1cc2c(cc1C(=O)O)ncn2C3CCCCC3	Q8G	1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
 c1ccc(c(c1)C(=O)NCc2cccnc2)[SeH]	Q8H	~{n}-(pyridin-3-ylmethyl)-2-selanyl-benzamide
 CCN1CCN(CC1)C(=O)Nc2cc(ccn2)c3cn(c4c3ccnc4)C5CCOCC5	Q8J	4-ethyl-n-{4-[1-(oxan-4-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide
-c1cc-2cc(c1)C(=O)NCCN(/C=C/N(c3ccn4c(c2cn4)n3)CCO)C5CC5	Q8K	11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one  
+c1cc-2cc(c1)C(=O)NCCN(/C=C/N(c3ccn4c(c2cn4)n3)CCO)C5CC5	Q8K	11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
 c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br	Q8M	5-bromo-3-chloro-n-(1-cyclopentyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
 CNC(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	Q8P	4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-n-methyl-1h-imidazole-2-carboxamide
-CN1CCNc2ccn3c(n2)c(cn3)-c4cccc(c4)C(=O)NCC1	Q8Q	11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one 
+CN1CCNc2ccn3c(n2)c(cn3)-c4cccc(c4)C(=O)NCC1	Q8Q	11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
 Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br	Q8S	5-bromo-3-chloro-n-(1-cyclopentyl-2-methyl-1h-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
 CN1CCN(CC1)c2ccc3cc2OCC(=O)N(CCCN(Cc4c[nH]c5c4c(ncn5)N3)C)C	Q8T	11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
 CCOC(=O)/C(=C(/c1ccccc1)\N)/C#N	Q8V	ethyl (2z)-3-amino-2-cyano-3-phenylprop-2-enoate
@@ -29599,7 +29599,7 @@ Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC45CC6CC(C4)CC(C6)
 COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4	QHQ	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
 Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CS(=O)(=O)CC4CCCCC4)C(=O)O	QHS	(r)-2-(3-([1,1'-biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
 Cc1cc(c(c(c1C)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C	QHT	5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
-Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3cccc(c3)c4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	QHV	(r)-3-(benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid 
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3cccc(c3)c4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	QHV	(r)-3-(benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
 Cc1cc(c(c(c1C)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4)C)C	QHW	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
 CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(=O)O	QHY	1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid
 COc1cccc(c1)S(=O)(=O)N(CC(=O)O)c2cccc(c2)n3c(c(cn3)C(=O)O)[C@H]4C[C@@H]4c5ccccc5	QHZ	1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{s},2~{s})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid
@@ -31894,7 +31894,7 @@ CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc3ccccc3c2)O)O)(C(=O)
 CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Sc5cncnc5)Cl	SUY	(1r,5s,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine
 CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@](=O)C)F)CC(=O)O	SUZ	[(1z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1h-inden-3-yl]acetic acid
 c1ccc(cc1)CCOC(=O)Cc2ccc(cc2C=O)N	SV1	2-phenylethyl 2-(4-azanyl-2-methanoyl-phenyl)ethanoate
-c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N	SV2	[{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid) 
+c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N	SV2	[{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid)
 Cc1cccnc1N2CCCNCC2	SV4	1-(3-methylpyridin-2-yl)-1,4-diazepane
 c1ccc(cc1)Cn2ccc3c2C=CNC3=O	SV5	1-(phenylmethyl)-5~{h}-pyrrolo[3,2-c]pyridin-4-one
 CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5	SV6	(1s,3ar,6as)-2-[(2s)-2-({(2s)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-n-[(2r,3s)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide
@@ -33055,7 +33055,7 @@ CCCCCCCCCCCCCCCCCCCCCC	TWT	docosane
 CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO	TWV	4-({3-[2-(dimethylamino)ethyl]-1h-indol-1-yl}methyl)-n-hydroxybenzamide
 CCOC(=O)[C@@]1(N[C@@H](CS1)C(=O)O)CS	TWW	(2~{s},4~{r})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
 C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S	TWY	4-thio-beta-d-xylopyranose
-c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)OCCc1cn(nn1)CC(=O)O	TWZ	exostwz molecular tweezer 
+c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)OCCc1cn(nn1)CC(=O)O	TWZ	exostwz molecular tweezer
 c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-]	TX1	2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate
 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(NCCS)O)O	TX2	5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
 Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl	TX3	2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate
@@ -33472,7 +33472,7 @@ CC(C)(C)[C@@H](C(=O)N(CC1CCCC1)CC(=O)NO)NC(=O)Nc2cc(cc(c2)F)F	UDB	(s)-n-(cyclope
 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O[C@@](C)([C@H](CO)O)C(=O)O	UDC	2-acetamido-3-o-[(2s,3s)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-d-glucopyranose
 c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F	UDD	n-[4-(trifluoromethyl)phenyl]-n-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine
 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)CNC(=O)Nc4cccc(c4)S(=O)(=O)N	UDE	3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-3-yl)-1h-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide
-CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	UDG	(2r,3r,4r,5s,6r)-2-{[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3r)-3-hydroxytetradecanoyl]amino}tetrahydro-2h-pyran-4-yl (3r)-3-hydroxytetradecanoate 
+CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O	UDG	(2r,3r,4r,5s,6r)-2-{[(s)-{[(s)-{[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[(3r)-3-hydroxytetradecanoyl]amino}tetrahydro-2h-pyran-4-yl (3r)-3-hydroxytetradecanoate
 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O	UDH	6-aminohexyl-uridine-c1,5'-diphosphate
 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C	UDJ	(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one
 CC1CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O	UDK	(r)-n-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide
@@ -35774,7 +35774,7 @@ CC[C@@H](CCCCC(=O)NCCCC[C@@H](C(=O)O)N)S	XOK	(2~{s})-2-azanyl-6-[[(6~{s})-6-sulf
 Cc1ccc(cc1Cl)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4	XOM	(2s,4r)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one
 CN1[C@@H]2CC[C@H]1CC(C2)O[P@@](=O)(c3ccccc3)O	XOP	8-methyl-8-azabicyclo[3.2.1]octan-3-yl phenylphosphonate
 c1cc(cc(c1)C(=O)O)/C=C/c2ccc(cc2)O	XOS	3-[(e)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
-Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CSCc4ccccc4)C(=O)O	XOU	(2r)-3-(benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid 
+Cc1ccc(cc1)CN(C(=O)c2ccc(cc2)c3ccccc3)C(=O)N[C@@H](CSCc4ccccc4)C(=O)O	XOU	(2r)-3-(benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid
 c1cc(c(cc1F)Cl)OCC2CCN(CC2)C(=O)C3CC4(C3)COC(=O)N4	XOV	(2s,4r)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one
 Cc1ccc(cc1)CN(C(=O)c2ccc3c(c2)CCN(C3)Cc4ccccc4c5ccc(cc5)Cl)C(=O)N[C@@H](CSCc6ccccc6)C(=O)O	XOY	(r)-3-(benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
 c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4	XP0	5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7h-pyrrolo[2,3-d]pyrimidin-2-amine
@@ -37079,7 +37079,7 @@ c1ccc(cc1)n2cc(cn2)C(=O)O	ZZA	1-phenyl-1h-pyrazole-4-carboxylic acid
 [B@@-]12(c3cc(c(cc3CO1)F)NCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O	ZZB	[(1s,3s,5r,6r,8r)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
 CC(=O)[C@@H]([C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O	ZZC	[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3r)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate
 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N	ZZD	s-trityl-l-cysteine
-CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N	ZZE	5-{[3,5-diethyl-1-(2-hydroxyethyl)-1h-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile 
+CCc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N	ZZE	5-{[3,5-diethyl-1-(2-hydroxyethyl)-1h-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile
 Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc3)S(=O)(=O)N	ZZF	4-({4-[(2,6-dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide
 Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c(c(c4)OC)OC)OC	ZZG	4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-n-(3,4,5-trimethoxyphenyl)pyridin-2-amine
 c1ccc(cc1)Cc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O	ZZH	(2s)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
diff --git a/graphein/protein_ligand/config.py b/graphein/protein_ligand/config.py
index 7e97859ea..f8ebbd9a3 100644
--- a/graphein/protein_ligand/config.py
+++ b/graphein/protein_ligand/config.py
@@ -14,20 +14,21 @@
 from pydantic import BaseModel
 from typing_extensions import Literal
 
-from graphein.protein_ligand.edges.distance import add_peptide_bonds
-from graphein.protein_ligand.features.nodes.amino_acid import meiler_embedding
-
-from graphein.protein_ligand.edges.atomic import add_atom_bonds, add_atomic_edges
+from graphein.protein_ligand.edges.atomic import (
+    add_atom_bonds,
+    add_atomic_edges,
+)
 from graphein.protein_ligand.edges.distance import (
     add_distance_threshold_ligand,
+    add_distance_threshold_protein_ligand,
     add_fully_connected_edges_ligand,
-    add_k_nn_edges_ligand,
     add_fully_connected_edges_protein_ligand,
+    add_k_nn_edges_ligand,
     add_k_nn_edges_protein_ligand,
-    add_distance_threshold_protein_ligand,
+    add_peptide_bonds,
 )
+from graphein.protein_ligand.features.nodes.amino_acid import meiler_embedding
 from graphein.protein_ligand.features.nodes.atom_type import atom_type_one_hot
-
 from graphein.utils.config import PartialMatchOperator, PathMatchOperator
 
 
@@ -182,13 +183,15 @@ class ProteinLigandGraphConfig(BaseModel):
     # Graph construction functions for protein
     protein_df_processing_functions: Optional[List[Callable]] = None
     protein_edge_construction_functions: List[Union[Callable, str]] = [
-        add_peptide_bonds, 
-        add_atomic_edges, 
+        add_peptide_bonds,
+        add_atomic_edges,
     ]
     protein_node_metadata_functions: Optional[List[Union[Callable, str]]] = [
         meiler_embedding
     ]
-    protein_edge_metadata_functions: Optional[List[Union[Callable, str]]] = None
+    protein_edge_metadata_functions: Optional[
+        List[Union[Callable, str]]
+    ] = None
     graph_metadata_functions: Optional[List[Callable]] = None
 
     # Graph construction functions for ligand
@@ -209,7 +212,9 @@ class ProteinLigandGraphConfig(BaseModel):
         add_k_nn_edges_protein_ligand,
         add_distance_threshold_protein_ligand,
     ]
-    protein_ligand_edge_metadata_functions: Optional[List[Union[Callable, str]]] = None
+    protein_ligand_edge_metadata_functions: Optional[
+        List[Union[Callable, str]]
+    ] = None
 
     # External Dependency configs
     get_contacts_config: Optional[GetContactsConfig] = None
diff --git a/graphein/protein_ligand/edges/atomic.py b/graphein/protein_ligand/edges/atomic.py
index 81259c51a..b8e4bd5a2 100644
--- a/graphein/protein_ligand/edges/atomic.py
+++ b/graphein/protein_ligand/edges/atomic.py
@@ -27,6 +27,7 @@
 # Todo dealing with metals
 # Todo There are other check and balances that can be implemented from here: https://www.daylight.com/meetings/mug01/Sayle/m4xbondage.html
 
+
 def add_atom_bonds(G: nx.Graph) -> nx.Graph:
     """Adds atomic bonds to a ligand part of protein-ligand graph.
 
@@ -47,6 +48,7 @@ def add_atom_bonds(G: nx.Graph) -> nx.Graph:
                 G.add_edge(n1, n2, kind={"ligand_bond"}, bond=bond)
     return G
 
+
 def assign_bond_states_to_dataframe(df: pd.DataFrame) -> pd.DataFrame:
     """
     Takes a ``PandasPDB`` atom dataframe and assigns bond states to each atom based on:
@@ -118,8 +120,12 @@ def add_atomic_edges(G: nx.Graph, tolerance: float = 0.56) -> nx.Graph:
     dist_mat = compute_distmat(G.graph["protein_df"])
 
     # We assign bond states to the dataframe, and then map these to covalent radii
-    G.graph["protein_df"] = assign_bond_states_to_dataframe(G.graph["protein_df"])
-    G.graph["protein_df"] = assign_covalent_radii_to_dataframe(G.graph["protein_df"])
+    G.graph["protein_df"] = assign_bond_states_to_dataframe(
+        G.graph["protein_df"]
+    )
+    G.graph["protein_df"] = assign_covalent_radii_to_dataframe(
+        G.graph["protein_df"]
+    )
 
     # Create a covalent 'distance' matrix by adding the radius arrays with its transpose
     covalent_radius_distance_matrix = np.add(
diff --git a/graphein/protein_ligand/edges/distance.py b/graphein/protein_ligand/edges/distance.py
index 9aeb1ad54..815772d8f 100644
--- a/graphein/protein_ligand/edges/distance.py
+++ b/graphein/protein_ligand/edges/distance.py
@@ -14,9 +14,9 @@
 import networkx as nx
 import numpy as np
 import pandas as pd
+from scipy.spatial.distance import cdist
 from sklearn.metrics import pairwise_distances
 from sklearn.neighbors import kneighbors_graph
-from scipy.spatial.distance import cdist
 
 from graphein.protein.resi_atoms import (
     AA_RING_ATOMS,
@@ -78,7 +78,7 @@ def add_distance_threshold_ligand(G: nx.Graph, threshold: float = 5.0):
     """
     for idx, ligand in enumerate(G.graph["ligands_df"]):
         dist_mat = compute_distmat(G.graph["ligands_coords"][idx])
-        
+
         interacting_nodes = get_interacting_atoms(threshold, distmat=dist_mat)
         outgoing = [list(G.nodes())[i] for i in interacting_nodes[0]]
         incoming = [list(G.nodes())[i] for i in interacting_nodes[1]]
@@ -94,7 +94,7 @@ def add_distance_threshold_ligand(G: nx.Graph, threshold: float = 5.0):
                 G.add_edge(n1, n2, kind={"ligand_distance_threshold"})
 
     return G
-        
+
 
 def add_fully_connected_edges_ligand(
     G: nx.Graph,
@@ -158,7 +158,9 @@ def add_k_nn_edges_ligand(
             include_self=include_self,
         )
         # Create iterable of node indices
-        outgoing = np.repeat(np.array(range(len(G.graph["ligands_coords"][idx]))), k)
+        outgoing = np.repeat(
+            np.array(range(len(G.graph["ligands_coords"][idx]))), k
+        )
         outgoing = [list(G.nodes())[i] for i in outgoing]
         incoming = [list(G.nodes())[i] for i in nn.indices]
         interacting_nodes = list(zip(outgoing, incoming))
@@ -168,7 +170,7 @@ def add_k_nn_edges_ligand(
                 G.edges[n1, n2]["kind"].add(f"ligand_k_nn_{k}")
             else:
                 G.add_edge(n1, n2, kind={f"ligand_k_nn_{k}"})
-    
+
     return G
 
 
@@ -183,11 +185,14 @@ def add_distance_threshold_protein_ligand(G: nx.Graph, threshold: float = 5.0):
     :return: Graph with distance-based edges added
     """
 
-    for idx, ligand in enumerate(G.graph["ligands_coords"]):        
+    for idx, ligand in enumerate(G.graph["ligands_coords"]):
         dist_mat = cdist(G.graph["protein_coords"], ligand)
         interacting_nodes = get_interacting_atoms(threshold, distmat=dist_mat)
         outgoing = [list(G.nodes())[i] for i in interacting_nodes[0]]
-        incoming = [G.graph["ligands_df"][idx].iloc[i]["node_id"] for i in interacting_nodes[1]]
+        incoming = [
+            G.graph["ligands_df"][idx].iloc[i]["node_id"]
+            for i in interacting_nodes[1]
+        ]
         interacting_nodes = list(zip(outgoing, incoming))
 
         log.info(
@@ -195,10 +200,12 @@ def add_distance_threshold_protein_ligand(G: nx.Graph, threshold: float = 5.0):
         )
         for n1, n2 in interacting_nodes:
             if G.has_edge(n1, n2):
-                G.edges[n1, n2]["kind"].add("protein_ligand_distance_threshold")
+                G.edges[n1, n2]["kind"].add(
+                    "protein_ligand_distance_threshold"
+                )
             else:
                 G.add_edge(n1, n2, kind={"protein_ligand_distance_threshold"})
-    
+
     return G
 
 
@@ -213,14 +220,17 @@ def add_fully_connected_edges_protein_ligand(
     """
 
     for ligand in G.graph["ligands_df"]:
-        for n1, n2 in itertools.product(G.graph["protein_df"]["node_id"], ligand["node_id"]):
+        for n1, n2 in itertools.product(
+            G.graph["protein_df"]["node_id"], ligand["node_id"]
+        ):
             if G.has_edge(n1, n2):
                 G.edges[n1, n2]["kind"].add("protein_ligand_fully_connected")
             else:
                 G.add_edge(n1, n2, kind={"protein_ligand_fully_connected"})
-    
+
     return G
 
+
 def add_k_nn_edges_protein_ligand(
     G: nx.Graph,
     k: int = 1,
@@ -254,7 +264,7 @@ def add_k_nn_edges_protein_ligand(
     """
 
     for idx, ligand in enumerate(G.graph["ligands_coords"]):
-        coords = np.concatenate([G.graph["protein_coords"], ligand])      
+        coords = np.concatenate([G.graph["protein_coords"], ligand])
         dist_mat = cdist(coords, coords)
 
         nn = kneighbors_graph(
@@ -273,11 +283,15 @@ def add_k_nn_edges_protein_ligand(
         log.info(f"Found: {len(interacting_nodes)} KNN edges")
         for n1, n2 in interacting_nodes:
             if n1 >= len(G.graph["protein_coords"]):
-                n1 = G.graph["ligands_df"][idx].iloc[n1-len(G.graph["protein_coords"])]["node_id"]
+                n1 = G.graph["ligands_df"][idx].iloc[
+                    n1 - len(G.graph["protein_coords"])
+                ]["node_id"]
             else:
                 n1 = G.graph["protein_df"].iloc[n1]["node_id"]
             if n2 >= len(G.graph["protein_coords"]):
-                n2 = G.graph["ligands_df"][idx].iloc[n2-len(G.graph["protein_coords"])]["node_id"]
+                n2 = G.graph["ligands_df"][idx].iloc[
+                    n2 - len(G.graph["protein_coords"])
+                ]["node_id"]
             else:
                 n2 = G.graph["protein_df"].iloc[n2]["node_id"]
             if G.has_edge(n1, n2):
@@ -286,6 +300,7 @@ def add_k_nn_edges_protein_ligand(
                 G.add_edge(n1, n2, kind={f"protein_ligand_k_nn_{k}"})
     return G
 
+
 def add_sequence_distance_edges(
     G: nx.Graph, d: int, name: str = "sequence_edge"
 ) -> nx.Graph:
@@ -305,10 +320,11 @@ def add_sequence_distance_edges(
     print(len(G))
     # Iterate over every chain
     for chain_id in G.graph["chain_ids"]:
-
         # Find chain residues
         chain_residues = [
-            (n, v) for n, v in G.nodes(data=True) if "chain_id" in v and v["chain_id"] == chain_id
+            (n, v)
+            for n, v in G.nodes(data=True)
+            if "chain_id" in v and v["chain_id"] == chain_id
         ]
 
         # Iterate over every residue in chain
@@ -575,7 +591,7 @@ def add_aromatic_sulphur_interactions(
     interacting_atoms = get_interacting_atoms(5.3, distmat)
     interacting_atoms = list(zip(interacting_atoms[0], interacting_atoms[1]))
 
-    for (a1, a2) in interacting_atoms:
+    for a1, a2 in interacting_atoms:
         resi1 = aromatic_sulphur_df.loc[a1, "node_id"]
         resi2 = aromatic_sulphur_df.loc[a2, "node_id"]
 
@@ -605,7 +621,7 @@ def add_cation_pi_interactions(
     interacting_atoms = get_interacting_atoms(6, distmat)
     interacting_atoms = list(zip(interacting_atoms[0], interacting_atoms[1]))
 
-    for (a1, a2) in interacting_atoms:
+    for a1, a2 in interacting_atoms:
         resi1 = cation_pi_df.loc[a1, "node_id"]
         resi2 = cation_pi_df.loc[a2, "node_id"]
 
@@ -963,4 +979,4 @@ def add_interacting_resis(
                 for k in kind:
                     G.edges[i1, i2]["kind"].add(k)
             else:
-                G.add_edge(i1, i2, kind=set(kind))
\ No newline at end of file
+                G.add_edge(i1, i2, kind=set(kind))
diff --git a/graphein/protein_ligand/edges/intramolecular.py b/graphein/protein_ligand/edges/intramolecular.py
index 4250b7c96..ef2e13405 100644
--- a/graphein/protein_ligand/edges/intramolecular.py
+++ b/graphein/protein_ligand/edges/intramolecular.py
@@ -32,7 +32,6 @@ def peptide_bonds(G: nx.Graph) -> nx.Graph:
     log.debug("Adding peptide bonds to graph")
     # Iterate over every chain
     for chain_id in G.graph["chain_ids"]:
-
         # Find chain residues
         chain_residues = [
             (n, v) for n, v in G.nodes(data=True) if v["chain_id"] == chain_id
diff --git a/graphein/protein_ligand/features/nodes/__init__.py b/graphein/protein_ligand/features/nodes/__init__.py
index 135810eed..ffaea76ed 100644
--- a/graphein/protein_ligand/features/nodes/__init__.py
+++ b/graphein/protein_ligand/features/nodes/__init__.py
@@ -1,4 +1,4 @@
 from .amino_acid import *
+from .atom_type import *
 from .dssp import *
 from .geometry import *
-from .atom_type import *
diff --git a/graphein/protein_ligand/features/nodes/amino_acid.py b/graphein/protein_ligand/features/nodes/amino_acid.py
index cd8f8cfe9..c64542d4c 100644
--- a/graphein/protein_ligand/features/nodes/amino_acid.py
+++ b/graphein/protein_ligand/features/nodes/amino_acid.py
@@ -117,7 +117,7 @@ def meiler_embedding(
     :returns: pd.Series of amino acid features
     :rtype: pd.Series
     """
-    
+
     if "residue_name" in d:
         df = load_meiler_embeddings()
         amino_acid = d["residue_name"]
diff --git a/graphein/protein_ligand/features/nodes/atom_type.py b/graphein/protein_ligand/features/nodes/atom_type.py
index 4a7ddb30c..50f826249 100644
--- a/graphein/protein_ligand/features/nodes/atom_type.py
+++ b/graphein/protein_ligand/features/nodes/atom_type.py
@@ -38,8 +38,7 @@ def atom_type_one_hot(
     if "element_symbol" in d:
         if allowable_set is None:
             allowable_set = BASE_ATOMS
-    
-    
+
         features = onek_encoding_unk(d["element_symbol"], allowable_set)
 
         if return_array:
diff --git a/graphein/protein_ligand/features/nodes/dssp.py b/graphein/protein_ligand/features/nodes/dssp.py
index 4d8aabb89..d4cf60fea 100644
--- a/graphein/protein_ligand/features/nodes/dssp.py
+++ b/graphein/protein_ligand/features/nodes/dssp.py
@@ -113,7 +113,9 @@ def add_dssp_df(G: nx.Graph, dssp_config: Optional[DSSPConfig]) -> nx.Graph:
     executable = dssp_config.executable
 
     # Ensure that DSSP is on PATH and is marked as an executable.
-    assert is_tool(executable), "DSSP must be on PATH and marked as an executable"
+    assert is_tool(
+        executable
+    ), "DSSP must be on PATH and marked as an executable"
 
     # Check for existence of pdb file. If not, download it.
     if not os.path.isfile(config.pdb_dir / pdb_id):
diff --git a/graphein/protein_ligand/features/nodes/geometry.py b/graphein/protein_ligand/features/nodes/geometry.py
index a376bbad8..3965cb3c6 100644
--- a/graphein/protein_ligand/features/nodes/geometry.py
+++ b/graphein/protein_ligand/features/nodes/geometry.py
@@ -130,7 +130,6 @@ def add_sequence_neighbour_vector(
     suffix = "n_to_c" if n_to_c else "c_to_n"
     # Iterate over every chain
     for chain_id in g.graph["chain_ids"]:
-
         # Find chain residues
         chain_residues = [
             (n, v) for n, v in g.nodes(data=True) if v["chain_id"] == chain_id
diff --git a/graphein/protein_ligand/graphs.py b/graphein/protein_ligand/graphs.py
index 5b9d0c3c3..cf5992b2a 100644
--- a/graphein/protein_ligand/graphs.py
+++ b/graphein/protein_ligand/graphs.py
@@ -39,13 +39,17 @@
     import rdkit.Chem as Chem
     import rdkit.Chem.AllChem as AllChem
 except ImportError:
-    message = import_message("graphein.protein_ligand.graphs", "rdkit", "rdkit", True)
+    message = import_message(
+        "graphein.protein_ligand.graphs", "rdkit", "rdkit", True
+    )
     log.warning(message)
 
 try:
     from prody import parsePDB, writePDBStream
 except ImportError:
-    message = import_message("graphein.protein_ligand.graphs", "prody", "prody", True)
+    message = import_message(
+        "graphein.protein_ligand.graphs", "prody", "prody", True
+    )
     log.warning(message)
 
 
@@ -109,6 +113,7 @@ def read_pdb_to_dataframe(
         print(atomic_df)
     return atomic_df
 
+
 def initialise_graph_with_metadata(
     protein_df: pd.DataFrame,
     ligands_df: List[pd.DataFrame],
@@ -140,9 +145,18 @@ def initialise_graph_with_metadata(
         protein_df=protein_df,
         ligands_df=ligands_df,
         raw_pdb_df=raw_pdb_df,
-        rgroup_df=compute_rgroup_dataframe(remove_insertions(raw_pdb_df.df["ATOM"])),
-        protein_coords=np.asarray(protein_df[["x_coord", "y_coord", "z_coord"]]),
-        ligands_coords=np.asarray([ligand_df[["x_coord", "y_coord", "z_coord"]] for ligand_df in ligands_df]),
+        rgroup_df=compute_rgroup_dataframe(
+            remove_insertions(raw_pdb_df.df["ATOM"])
+        ),
+        protein_coords=np.asarray(
+            protein_df[["x_coord", "y_coord", "z_coord"]]
+        ),
+        ligands_coords=np.asarray(
+            [
+                ligand_df[["x_coord", "y_coord", "z_coord"]]
+                for ligand_df in ligands_df
+            ]
+        ),
     )
 
     # Create graph and assign intrinsic graph-level metadata
@@ -205,17 +219,34 @@ def add_nodes_to_graph(
     )
     nx.set_node_attributes(G, dict(zip(nodes, coords)), "coords")
     nx.set_node_attributes(G, dict(zip(nodes, b_factor)), "b_factor")
-    nx.set_node_attributes(G, dict(zip(nodes, ["protein" for _ in range(len(nodes))])), "source")
+    nx.set_node_attributes(
+        G, dict(zip(nodes, ["protein" for _ in range(len(nodes))])), "source"
+    )
 
     rdmols = []
     for i, ligand in enumerate(ligands_df):
         G.add_nodes_from(ligand["node_id"])
-        nx.set_node_attributes(G, dict(zip(ligand["node_id"], ["ligand"])), "source")
-        nx.set_node_attributes(G, dict(zip(ligand["node_id"], np.asarray(ligand[["x_coord", "y_coord", "z_coord"]]))), "coords")
-        nx.set_node_attributes(G, dict(zip(ligand["node_id"], ligand["element_symbol"])), "element_symbol")
+        nx.set_node_attributes(
+            G, dict(zip(ligand["node_id"], ["ligand"])), "source"
+        )
+        nx.set_node_attributes(
+            G,
+            dict(
+                zip(
+                    ligand["node_id"],
+                    np.asarray(ligand[["x_coord", "y_coord", "z_coord"]]),
+                )
+            ),
+            "coords",
+        )
+        nx.set_node_attributes(
+            G,
+            dict(zip(ligand["node_id"], ligand["element_symbol"])),
+            "element_symbol",
+        )
         # Convert mol to rdmol and save it
         ppdb = PandasPdb()
-        ppdb.df['HETATM'] = ligands_df[i]
+        ppdb.df["HETATM"] = ligands_df[i]
         ppdb.to_pdb(path="./tmp_saved_mol.pdb")
         rdmol = Chem.MolFromPDBFile("./tmp_saved_mol.pdb")
         rdmols.append(rdmol)
@@ -396,10 +427,12 @@ def construct_graph(
     df_dict = read_ligand_expo()
     pdb = parsePDB(pdb_code)
     if config.exclude_waters:
-        ligand = pdb.select('not protein and not water')
+        ligand = pdb.select("not protein and not water")
     else:
-        ligand = pdb.select('not protein')
-    res_name_list = set(list(zip(list(ligand.getResnames()), list(ligand.getChids()))))
+        ligand = pdb.select("not protein")
+    res_name_list = set(
+        list(zip(list(ligand.getResnames()), list(ligand.getChids())))
+    )
     ligands = []
     ligands_df = []
     # TODO: filter out ions, co-factors, etc.
@@ -407,7 +440,12 @@ def construct_graph(
         try:
             new_mol = process_ligand(ligand, res, df_dict)
             ligands.append(new_mol)
-            ligands_df.append(raw_df.df['HETATM'].loc[(raw_df.df['HETATM']["residue_name"] == res) & (raw_df.df['HETATM']["chain_id"] == chain)])
+            ligands_df.append(
+                raw_df.df["HETATM"].loc[
+                    (raw_df.df["HETATM"]["residue_name"] == res)
+                    & (raw_df.df["HETATM"]["chain_id"] == chain)
+                ]
+            )
         except Exception as e:
             log.warning(e)
             continue
@@ -456,7 +494,9 @@ def construct_graph(
     if config.ligand_edge_metadata_functions is not None:
         g = annotate_edge_metadata(g, config.ligand_edge_metadata_functions)
     if config.protein_ligand_edge_metadata_functions is not None:
-        g = annotate_edge_metadata(g, config.protein_ligand_edge_metadata_functions)
+        g = annotate_edge_metadata(
+            g, config.protein_ligand_edge_metadata_functions
+        )
 
     return g
 
@@ -492,6 +532,7 @@ def _mp_graph_constructor(
         log.info(ex)
         return None
 
+
 def process_ligand(ligand, res_name: str, expo_dict: Dict):
     """
     Process ligand in the following steps:
@@ -513,13 +554,14 @@ def process_ligand(ligand, res_name: str, expo_dict: Dict):
     """
     output = StringIO()
     sub_mol = ligand.select(f"resname {res_name}")
-    sub_smiles = expo_dict['SMILES'][res_name]
+    sub_smiles = expo_dict["SMILES"][res_name]
     template = AllChem.MolFromSmiles(sub_smiles)
     writePDBStream(output, sub_mol)
     pdb_string = output.getvalue()
     rd_mol = AllChem.MolFromPDBBlock(pdb_string)
     return AllChem.AssignBondOrdersFromTemplate(template, rd_mol)
 
+
 def read_ligand_expo() -> Dict[str, Dict[str, str]]:
     """
     Read Ligand Expo data, try to find a file called
@@ -531,16 +573,16 @@ def read_ligand_expo() -> Dict[str, Dict[str, str]]:
     """
     file_name = "Components-smiles-stereo-oe.smi"
     try:
-        df = pd.read_csv(file_name, sep="\t",
-                         header=None,
-                         names=["SMILES", "ID", "Name"])
+        df = pd.read_csv(
+            file_name, sep="\t", header=None, names=["SMILES", "ID", "Name"]
+        )
     except FileNotFoundError:
         url = f"http://ligand-expo.rcsb.org/dictionaries/{file_name}"
         print(url)
         r = requests.get(url, allow_redirects=True)
-        open('Components-smiles-stereo-oe.smi', 'wb').write(r.content)
-        df = pd.read_csv(file_name, sep="\t",
-                         header=None,
-                         names=["SMILES", "ID", "Name"])
+        open("Components-smiles-stereo-oe.smi", "wb").write(r.content)
+        df = pd.read_csv(
+            file_name, sep="\t", header=None, names=["SMILES", "ID", "Name"]
+        )
     df.set_index("ID", inplace=True)
     return df.to_dict()
diff --git a/graphein/protein_ligand/visualisation.py b/graphein/protein_ligand/visualisation.py
index 3cfbd71d8..f9f2bc8e3 100644
--- a/graphein/protein_ligand/visualisation.py
+++ b/graphein/protein_ligand/visualisation.py
@@ -370,7 +370,6 @@ def plot_protein_structure_graph(
 
     # 3D network plot
     with plt.style.context(plot_style):
-
         fig = plt.figure(figsize=figsize)
         ax = Axes3D(fig, auto_add_to_figure=True)
 
diff --git a/tests/molecule/test_graphs.py b/tests/molecule/test_graphs.py
index 48429f353..1ac620cb2 100644
--- a/tests/molecule/test_graphs.py
+++ b/tests/molecule/test_graphs.py
@@ -6,7 +6,6 @@
 
 from graphein.molecule.config import MoleculeGraphConfig
 from graphein.molecule.graphs import construct_graph, construct_junction_tree
-from graphein.molecule.graphs import construct_graph
 from graphein.utils.dependencies import import_message
 
 try:
@@ -142,6 +141,7 @@ def test_generate_graph_pdb():
             d["bond"], rdkit.Chem.rdchem.Bond
         ), f"edge {u}-{v} does not have an RDKit bond associated with it."
 
+
 def test_generate_graph_smiles():
     """Tests junction tree graph construction from a SMILES string."""
     g = construct_junction_tree(smiles=SMILES)
diff --git a/tests/protein_ligand/test_data/1lds.pdb b/tests/protein_ligand/test_data/1lds.pdb
index 0053b93da..43acc4377 100644
--- a/tests/protein_ligand/test_data/1lds.pdb
+++ b/tests/protein_ligand/test_data/1lds.pdb
@@ -1,1264 +1,1264 @@
-HEADER    IMMUNE SYSTEM                           09-APR-02   1LDS              
-TITLE     CRYSTAL STRUCTURE OF MONOMERIC HUMAN BETA-2-MICROGLOBULIN             
-COMPND    MOL_ID: 1;                                                            
-COMPND   2 MOLECULE: BETA-2-MICROGLOBULIN;                                      
-COMPND   3 CHAIN: A;                                                            
-COMPND   4 ENGINEERED: YES                                                      
-SOURCE    MOL_ID: 1;                                                            
-SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
-SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
-SOURCE   4 ORGANISM_TAXID: 9606;                                                
-SOURCE   5 GENE: B2M;                                                           
-SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
-SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
-SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21DE3;                                   
-SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
-SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET23A;                                    
-SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PINKWT                                    
-KEYWDS    IMMUNOGLOBULIN CONSTANT DOMAIN, IMMUNE SYSTEM                         
-EXPDTA    X-RAY DIFFRACTION                                                     
-AUTHOR    C.H.TRINH,D.P.SMITH,A.P.KALVERDA,S.E.V.PHILLIPS,S.E.RADFORD           
-REVDAT   3   24-FEB-09 1LDS    1       VERSN                                    
-REVDAT   2   01-APR-03 1LDS    1       JRNL                                     
-REVDAT   1   31-JUL-02 1LDS    0                                                
-JRNL        AUTH   C.H.TRINH,D.P.SMITH,A.P.KALVERDA,S.E.PHILLIPS,               
-JRNL        AUTH 2 S.E.RADFORD                                                  
-JRNL        TITL   CRYSTAL STRUCTURE OF MONOMERIC HUMAN                         
-JRNL        TITL 2 BETA-2-MICROGLOBULIN REVEALS CLUES TO ITS                    
-JRNL        TITL 3 AMYLOIDOGENIC PROPERTIES.                                    
-JRNL        REF    PROC.NATL.ACAD.SCI.USA        V.  99  9771 2002              
-JRNL        REFN                   ISSN 0027-8424                               
-JRNL        PMID   12119416                                                     
-JRNL        DOI    10.1073/PNAS.152337399                                       
-REMARK   1                                                                      
-REMARK   2                                                                      
-REMARK   2 RESOLUTION.    1.80 ANGSTROMS.                                       
-REMARK   3                                                                      
-REMARK   3 REFINEMENT.                                                          
-REMARK   3   PROGRAM     : CNS 1.0                                              
-REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
-REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,             
-REMARK   3               : READ,RICE,SIMONSON,WARREN                            
-REMARK   3                                                                      
-REMARK   3  REFINEMENT TARGET : ENGH & HUBER                                    
-REMARK   3                                                                      
-REMARK   3  DATA USED IN REFINEMENT.                                            
-REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80                           
-REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 26.70                          
-REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
-REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
-REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
-REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 96.9                           
-REMARK   3   NUMBER OF REFLECTIONS             : 9565                           
-REMARK   3                                                                      
-REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
-REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
-REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
-REMARK   3   R VALUE            (WORKING SET) : 0.187                           
-REMARK   3   FREE R VALUE                     : 0.233                           
-REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
-REMARK   3   FREE R VALUE TEST SET COUNT      : 498                             
-REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
-REMARK   3                                                                      
-REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
-REMARK   3   TOTAL NUMBER OF BINS USED           : NULL                         
-REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.80                         
-REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.87                         
-REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
-REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
-REMARK   3   BIN R VALUE           (WORKING SET) : 0.2100                       
-REMARK   3   BIN FREE R VALUE                    : 0.2350                       
-REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
-REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 51                           
-REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
-REMARK   3                                                                      
-REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
-REMARK   3   PROTEIN ATOMS            : 809                                     
-REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
-REMARK   3   HETEROGEN ATOMS          : 1                                       
-REMARK   3   SOLVENT ATOMS            : 103                                     
-REMARK   3                                                                      
-REMARK   3  B VALUES.                                                           
-REMARK   3   FROM WILSON PLOT           (A**2) : 10.28                          
-REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
-REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
-REMARK   3    B11 (A**2) : 2.12500                                              
-REMARK   3    B22 (A**2) : -2.09500                                             
-REMARK   3    B33 (A**2) : -0.03000                                             
-REMARK   3    B12 (A**2) : 0.00000                                              
-REMARK   3    B13 (A**2) : -0.01700                                             
-REMARK   3    B23 (A**2) : 0.00000                                              
-REMARK   3                                                                      
-REMARK   3  ESTIMATED COORDINATE ERROR.                                         
-REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.18                            
-REMARK   3   ESD FROM SIGMAA              (A) : 0.23                            
-REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00                            
-REMARK   3                                                                      
-REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
-REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.06                            
-REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.11                            
-REMARK   3                                                                      
-REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
-REMARK   3   BOND LENGTHS                 (A) : 0.005                           
-REMARK   3   BOND ANGLES            (DEGREES) : 1.45                            
-REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 26.42                           
-REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.61                            
-REMARK   3                                                                      
-REMARK   3  ISOTROPIC THERMAL MODEL : ANISOTROPIC                               
-REMARK   3                                                                      
-REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
-REMARK   3   MAIN-CHAIN BOND              (A**2) : 4.827 ; NULL                 
-REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 5.479 ; NULL                 
-REMARK   3   SIDE-CHAIN BOND              (A**2) : 7.266 ; NULL                 
-REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 9.501 ; NULL                 
-REMARK   3                                                                      
-REMARK   3  BULK SOLVENT MODELING.                                              
-REMARK   3   METHOD USED : NULL                                                 
-REMARK   3   KSOL        : NULL                                                 
-REMARK   3   BSOL        : NULL                                                 
-REMARK   3                                                                      
-REMARK   3  NCS MODEL : NULL                                                    
-REMARK   3                                                                      
-REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
-REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
-REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
-REMARK   3                                                                      
-REMARK   3  PARAMETER FILE  1  : NULL                                           
-REMARK   3  TOPOLOGY FILE  1   : NULL                                           
-REMARK   3                                                                      
-REMARK   3  OTHER REFINEMENT REMARKS: MAXIMUM LIKELIHOOD TARGET USING           
-REMARK   3  AMPLITUDES AS IMPLEMENTED IN CNS                                    
-REMARK   4                                                                      
-REMARK   4 1LDS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
-REMARK 100                                                                      
-REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-APR-02.                  
-REMARK 100 THE RCSB ID CODE IS RCSB015863.                                      
-REMARK 200                                                                      
-REMARK 200 EXPERIMENTAL DETAILS                                                 
-REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
-REMARK 200  DATE OF DATA COLLECTION        : 25-JUN-01                          
-REMARK 200  TEMPERATURE           (KELVIN) : 100                                
-REMARK 200  PH                             : 5.7                                
-REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
-REMARK 200                                                                      
-REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
-REMARK 200  RADIATION SOURCE               : SRS                                
-REMARK 200  BEAMLINE                       : PX14.2                             
-REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
-REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
-REMARK 200  WAVELENGTH OR RANGE        (A) : 0.979                              
-REMARK 200  MONOCHROMATOR                  : SI (111)                           
-REMARK 200  OPTICS                         : NULL                               
-REMARK 200                                                                      
-REMARK 200  DETECTOR TYPE                  : CCD                                
-REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 4                     
-REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
-REMARK 200  DATA SCALING SOFTWARE          : CCP4 (SCALA)                       
-REMARK 200                                                                      
-REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 9604                               
-REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.800                              
-REMARK 200  RESOLUTION RANGE LOW       (A) : 26.700                             
-REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
-REMARK 200                                                                      
-REMARK 200 OVERALL.                                                             
-REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.9                               
-REMARK 200  DATA REDUNDANCY                : 3.700                              
-REMARK 200  R MERGE                    (I) : 0.04100                            
-REMARK 200  R SYM                      (I) : 0.03500                            
-REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 15.8000                            
-REMARK 200                                                                      
-REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
-REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80                     
-REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.90                     
-REMARK 200  COMPLETENESS FOR SHELL     (%) : 90.6                               
-REMARK 200  DATA REDUNDANCY IN SHELL       : 3.40                               
-REMARK 200  R MERGE FOR SHELL          (I) : 0.07300                            
-REMARK 200  R SYM FOR SHELL            (I) : 0.06200                            
-REMARK 200  <I/SIGMA(I)> FOR SHELL         : 9.600                              
-REMARK 200                                                                      
-REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
-REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
-REMARK 200 SOFTWARE USED: AMORE                                                 
-REMARK 200 STARTING MODEL: PDB ENTRY 1DUZ                                       
-REMARK 200                                                                      
-REMARK 200 REMARK: NULL                                                         
-REMARK 280                                                                      
-REMARK 280 CRYSTAL                                                              
-REMARK 280 SOLVENT CONTENT, VS   (%): 44.20                                     
-REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20                     
-REMARK 280                                                                      
-REMARK 280 CRYSTALLIZATION CONDITIONS: 4-8% (W/V) PEG4000, 20%                  
-REMARK 280  ISOPROPANOL, 100MM SODIUM CITRATE, PH 5.7, VAPOR DIFFUSION,         
-REMARK 280  SITTING DROP, TEMPERATURE 289K                                      
-REMARK 290                                                                      
-REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
-REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1                          
-REMARK 290                                                                      
-REMARK 290      SYMOP   SYMMETRY                                                
-REMARK 290     NNNMMM   OPERATOR                                                
-REMARK 290       1555   X,Y,Z                                                   
-REMARK 290       2555   -X,Y,-Z                                                 
-REMARK 290       3555   X+1/2,Y+1/2,Z                                           
-REMARK 290       4555   -X+1/2,Y+1/2,-Z                                         
-REMARK 290                                                                      
-REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
-REMARK 290           MMM -> TRANSLATION VECTOR                                  
-REMARK 290                                                                      
-REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
-REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
-REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
-REMARK 290 RELATED MOLECULES.                                                   
-REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
-REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000        0.00000            
-REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
-REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000       38.71250            
-REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       14.54550            
-REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
-REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       38.71250            
-REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       14.54550            
-REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
-REMARK 290                                                                      
-REMARK 290 REMARK: NULL                                                         
-REMARK 300                                                                      
-REMARK 300 BIOMOLECULE: 1                                                       
-REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
-REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
-REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
-REMARK 300 BURIED SURFACE AREA.                                                 
-REMARK 350                                                                      
-REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
-REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
-REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
-REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
-REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
-REMARK 350                                                                      
-REMARK 350 BIOMOLECULE: 1                                                       
-REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
-REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
-REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 465                                                                      
-REMARK 465 MISSING RESIDUES                                                     
-REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
-REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
-REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
-REMARK 465                                                                      
-REMARK 465   M RES C SSSEQI                                                     
-REMARK 465     ARG A    97                                                      
-REMARK 465     ASP A    98                                                      
-REMARK 465     MET A    99                                                      
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: TORSION ANGLES                                             
-REMARK 500                                                                      
-REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
-REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
-REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
-REMARK 500                                                                      
-REMARK 500 STANDARD TABLE:                                                      
-REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
-REMARK 500                                                                      
-REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
-REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI        PSI       PHI                                   
-REMARK 500    ASN A  17       69.07   -150.48                                   
-REMARK 500    SER A  57      -85.61   -103.73                                   
-REMARK 500    GLU A  74       -5.78    -58.74                                   
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 620                                                                      
-REMARK 620 METAL COORDINATION                                                   
-REMARK 620  (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;              
-REMARK 620  SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                            
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                              NA A 100  NA                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 HIS A  84   O                                                      
-REMARK 620 2 LEU A  87   O    86.1                                              
-REMARK 620 3 HOH A 138   O    94.7  80.7                                        
-REMARK 620 4 HOH A 123   O    85.0 170.4  96.5                                  
-REMARK 620 5 HOH A 203   O    86.4  83.7 164.3  99.2                            
-REMARK 620 6 HOH A 141   O   170.8  84.7  83.4 104.1  93.1                      
-REMARK 620 N                    1     2     3     4     5                       
-REMARK 800                                                                      
-REMARK 800 SITE                                                                 
-REMARK 800 SITE_IDENTIFIER: AC1                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 100                  
-REMARK 900                                                                      
-REMARK 900 RELATED ENTRIES                                                      
-REMARK 900 RELATED ID: 1DUZ   RELATED DB: PDB                                   
-REMARK 900 HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) IN             
-REMARK 900 COMPLEX WITH A NONAMERIC PEPTIDE FROM HTLV-1 TAX PROTEIN             
-DBREF  1LDS A    1    99  UNP    P61769   B2MG_HUMAN      21    119             
-SEQADV 1LDS MET A    0  UNP  P61769              INITIATING MET                 
-SEQRES   1 A  100  MET ILE GLN ARG THR PRO LYS ILE GLN VAL TYR SER ARG          
-SEQRES   2 A  100  HIS PRO ALA GLU ASN GLY LYS SER ASN PHE LEU ASN CYS          
-SEQRES   3 A  100  TYR VAL SER GLY PHE HIS PRO SER ASP ILE GLU VAL ASP          
-SEQRES   4 A  100  LEU LEU LYS ASN GLY GLU ARG ILE GLU LYS VAL GLU HIS          
-SEQRES   5 A  100  SER ASP LEU SER PHE SER LYS ASP TRP SER PHE TYR LEU          
-SEQRES   6 A  100  LEU TYR TYR THR GLU PHE THR PRO THR GLU LYS ASP GLU          
-SEQRES   7 A  100  TYR ALA CYS ARG VAL ASN HIS VAL THR LEU SER GLN PRO          
-SEQRES   8 A  100  LYS ILE VAL LYS TRP ASP ARG ASP MET                          
-HET     NA  A 100       1                                                       
-HETNAM      NA SODIUM ION                                                       
-FORMUL   2   NA    NA 1+                                                        
-FORMUL   3  HOH   *103(H2 O)                                                    
-HELIX    1   1 PRO A   14  GLY A   18  5                                   5    
-SHEET    1   A 4 LYS A   6  ARG A  12  0                                        
-SHEET    2   A 4 PHE A  22  PHE A  30 -1  O  ASN A  24   N  TYR A  10           
-SHEET    3   A 4 PHE A  62  GLU A  69 -1  O  LEU A  64   N  VAL A  27           
-SHEET    4   A 4 HIS A  51  PHE A  56 -1  N  SER A  55   O  TYR A  63           
-SHEET    1   B 4 GLU A  44  ARG A  45  0                                        
-SHEET    2   B 4 GLU A  36  LYS A  41 -1  N  LYS A  41   O  GLU A  44           
-SHEET    3   B 4 TYR A  78  ASN A  83 -1  O  ALA A  79   N  LEU A  40           
-SHEET    4   B 4 LYS A  91  LYS A  94 -1  O  LYS A  91   N  VAL A  82           
-SSBOND   1 CYS A   25    CYS A   80                          1555   1555  2.03  
-LINK        NA    NA A 100                 O   HIS A  84     1555   1555  2.35  
-LINK        NA    NA A 100                 O   LEU A  87     1555   1555  2.25  
-LINK        NA    NA A 100                 O   HOH A 138     1555   1555  2.39  
-LINK        NA    NA A 100                 O   HOH A 123     1555   1555  2.41  
-LINK        NA    NA A 100                 O   HOH A 203     1555   1555  2.17  
-LINK        NA    NA A 100                 O   HOH A 141     1555   1555  2.72  
-CISPEP   1 HIS A   31    PRO A   32          0         0.09                     
-SITE     1 AC1  7 ALA A  15  HIS A  84  LEU A  87  HOH A 123                    
-SITE     2 AC1  7 HOH A 138  HOH A 141  HOH A 203                               
-CRYST1   77.425   29.091   54.644  90.00 121.64  90.00 C 1 2 1       4          
-ORIGX1      1.000000  0.000000  0.000000        0.00000                         
-ORIGX2      0.000000  1.000000  0.000000        0.00000                         
-ORIGX3      0.000000  0.000000  1.000000        0.00000                         
-SCALE1      0.012916  0.000000  0.007958        0.00000                         
-SCALE2      0.000000  0.034375  0.000000        0.00000                         
-SCALE3      0.000000  0.000000  0.021495        0.00000                         
-ATOM      1  N   MET A   0      14.003  -8.253 -10.050  1.00  5.09           N  
-ATOM      2  CA  MET A   0      14.650  -7.671  -8.841  1.00  6.67           C  
-ATOM      3  C   MET A   0      15.800  -8.546  -8.377  1.00 12.68           C  
-ATOM      4  O   MET A   0      15.891  -9.719  -8.736  1.00  5.87           O  
-ATOM      5  CB  MET A   0      13.634  -7.534  -7.696  1.00 11.41           C  
-ATOM      6  CG  MET A   0      13.079  -8.852  -7.135  1.00 11.30           C  
-ATOM      7  SD  MET A   0      14.188  -9.791  -6.025  1.00 10.13           S  
-ATOM      8  CE  MET A   0      13.958  -8.900  -4.484  1.00 14.90           C  
-ATOM      9  N   ILE A   1      16.684  -7.962  -7.582  1.00  8.98           N  
-ATOM     10  CA  ILE A   1      17.803  -8.707  -7.032  1.00  9.20           C  
-ATOM     11  C   ILE A   1      18.180  -8.089  -5.696  1.00  7.90           C  
-ATOM     12  O   ILE A   1      18.109  -6.873  -5.519  1.00  6.02           O  
-ATOM     13  CB  ILE A   1      19.036  -8.681  -7.971  1.00  6.03           C  
-ATOM     14  CG1 ILE A   1      20.099  -9.653  -7.452  1.00 11.88           C  
-ATOM     15  CG2 ILE A   1      19.613  -7.275  -8.049  1.00  9.54           C  
-ATOM     16  CD1 ILE A   1      21.271  -9.857  -8.397  1.00 18.94           C  
-ATOM     17  N   GLN A   2      18.532  -8.932  -4.737  1.00  2.02           N  
-ATOM     18  CA  GLN A   2      18.963  -8.432  -3.443  1.00  3.60           C  
-ATOM     19  C   GLN A   2      20.179  -9.236  -3.028  1.00  6.70           C  
-ATOM     20  O   GLN A   2      20.237 -10.455  -3.217  1.00  4.11           O  
-ATOM     21  CB  GLN A   2      17.846  -8.511  -2.395  1.00  5.72           C  
-ATOM     22  CG  GLN A   2      17.176  -9.856  -2.228  1.00  5.03           C  
-ATOM     23  CD  GLN A   2      15.974  -9.762  -1.307  1.00 13.57           C  
-ATOM     24  OE1 GLN A   2      15.234  -8.775  -1.339  1.00  9.05           O  
-ATOM     25  NE2 GLN A   2      15.764 -10.788  -0.492  1.00  5.72           N  
-ATOM     26  N   ARG A   3      21.168  -8.529  -2.498  1.00  4.85           N  
-ATOM     27  CA  ARG A   3      22.415  -9.140  -2.074  1.00  4.56           C  
-ATOM     28  C   ARG A   3      22.789  -8.617  -0.702  1.00  6.67           C  
-ATOM     29  O   ARG A   3      22.768  -7.407  -0.464  1.00  4.84           O  
-ATOM     30  CB  ARG A   3      23.525  -8.797  -3.068  1.00  2.94           C  
-ATOM     31  CG  ARG A   3      23.373  -9.451  -4.433  1.00  9.10           C  
-ATOM     32  CD  ARG A   3      23.927 -10.871  -4.411  1.00 25.83           C  
-ATOM     33  NE  ARG A   3      23.755 -11.559  -5.688  1.00 34.70           N  
-ATOM     34  CZ  ARG A   3      22.621 -12.126  -6.086  1.00 49.71           C  
-ATOM     35  NH1 ARG A   3      21.551 -12.092  -5.304  1.00 17.27           N  
-ATOM     36  NH2 ARG A   3      22.556 -12.728  -7.267  1.00 46.57           N  
-ATOM     37  N   THR A   4      23.119  -9.532   0.200  1.00  2.21           N  
-ATOM     38  CA  THR A   4      23.507  -9.154   1.550  1.00  5.05           C  
-ATOM     39  C   THR A   4      24.901  -8.527   1.496  1.00  5.01           C  
-ATOM     40  O   THR A   4      25.794  -9.018   0.804  1.00  3.01           O  
-ATOM     41  CB  THR A   4      23.519 -10.381   2.494  1.00 14.23           C  
-ATOM     42  OG1 THR A   4      23.796  -9.951   3.832  1.00 22.36           O  
-ATOM     43  CG2 THR A   4      24.575 -11.382   2.063  1.00 27.74           C  
-ATOM     44  N   PRO A   5      25.107  -7.426   2.225  1.00  1.97           N  
-ATOM     45  CA  PRO A   5      26.426  -6.794   2.192  1.00  6.40           C  
-ATOM     46  C   PRO A   5      27.532  -7.552   2.917  1.00  8.24           C  
-ATOM     47  O   PRO A   5      27.284  -8.236   3.912  1.00  7.61           O  
-ATOM     48  CB  PRO A   5      26.164  -5.432   2.834  1.00  8.26           C  
-ATOM     49  CG  PRO A   5      25.080  -5.734   3.823  1.00 12.08           C  
-ATOM     50  CD  PRO A   5      24.157  -6.629   3.023  1.00  6.41           C  
-ATOM     51  N   LYS A   6      28.749  -7.445   2.392  1.00  6.93           N  
-ATOM     52  CA  LYS A   6      29.902  -8.041   3.044  1.00  4.70           C  
-ATOM     53  C   LYS A   6      30.295  -6.894   3.974  1.00  6.41           C  
-ATOM     54  O   LYS A   6      30.212  -5.729   3.580  1.00  7.65           O  
-ATOM     55  CB  LYS A   6      31.023  -8.312   2.043  1.00 12.00           C  
-ATOM     56  CG  LYS A   6      32.255  -8.944   2.666  1.00 22.05           C  
-ATOM     57  CD  LYS A   6      33.317  -9.239   1.620  1.00 32.03           C  
-ATOM     58  CE  LYS A   6      34.503  -9.966   2.230  1.00 32.04           C  
-ATOM     59  NZ  LYS A   6      35.533 -10.293   1.204  1.00 46.88           N  
-ATOM     60  N   ILE A   7      30.706  -7.210   5.196  1.00  4.34           N  
-ATOM     61  CA  ILE A   7      31.067  -6.173   6.162  1.00  1.88           C  
-ATOM     62  C   ILE A   7      32.452  -6.416   6.753  1.00  5.24           C  
-ATOM     63  O   ILE A   7      32.716  -7.476   7.317  1.00  6.69           O  
-ATOM     64  CB  ILE A   7      30.034  -6.132   7.310  1.00  4.76           C  
-ATOM     65  CG1 ILE A   7      28.628  -5.930   6.735  1.00  6.32           C  
-ATOM     66  CG2 ILE A   7      30.381  -5.015   8.294  1.00 11.51           C  
-ATOM     67  CD1 ILE A   7      27.509  -6.191   7.732  1.00  4.95           C  
-ATOM     68  N   GLN A   8      33.334  -5.431   6.621  1.00  4.37           N  
-ATOM     69  CA  GLN A   8      34.688  -5.549   7.149  1.00  5.13           C  
-ATOM     70  C   GLN A   8      35.017  -4.327   7.994  1.00  7.32           C  
-ATOM     71  O   GLN A   8      34.800  -3.189   7.571  1.00  5.46           O  
-ATOM     72  CB  GLN A   8      35.688  -5.684   6.002  1.00  9.94           C  
-ATOM     73  CG  GLN A   8      35.350  -6.823   5.048  1.00  8.18           C  
-ATOM     74  CD  GLN A   8      36.251  -6.850   3.836  1.00 13.13           C  
-ATOM     75  OE1 GLN A   8      37.250  -7.572   3.803  1.00 15.63           O  
-ATOM     76  NE2 GLN A   8      35.913  -6.050   2.835  1.00  6.85           N  
-ATOM     77  N   VAL A   9      35.537  -4.576   9.192  1.00  3.97           N  
-ATOM     78  CA  VAL A   9      35.887  -3.508  10.125  1.00  4.60           C  
-ATOM     79  C   VAL A   9      37.386  -3.557  10.386  1.00  6.40           C  
-ATOM     80  O   VAL A   9      37.929  -4.588  10.779  1.00  7.54           O  
-ATOM     81  CB  VAL A   9      35.115  -3.675  11.443  1.00  2.56           C  
-ATOM     82  CG1 VAL A   9      35.305  -2.460  12.327  1.00  5.44           C  
-ATOM     83  CG2 VAL A   9      33.637  -3.889  11.142  1.00 10.30           C  
-ATOM     84  N   TYR A  10      38.053  -2.435  10.159  1.00  5.14           N  
-ATOM     85  CA  TYR A  10      39.499  -2.369  10.334  1.00  6.13           C  
-ATOM     86  C   TYR A  10      39.923  -0.945  10.651  1.00  4.18           C  
-ATOM     87  O   TYR A  10      39.119  -0.019  10.580  1.00  4.17           O  
-ATOM     88  CB  TYR A  10      40.196  -2.829   9.050  1.00  1.00           C  
-ATOM     89  CG  TYR A  10      39.696  -2.114   7.808  1.00  6.60           C  
-ATOM     90  CD1 TYR A  10      38.513  -2.507   7.183  1.00  8.01           C  
-ATOM     91  CD2 TYR A  10      40.392  -1.029   7.275  1.00  6.17           C  
-ATOM     92  CE1 TYR A  10      38.033  -1.838   6.056  1.00 12.92           C  
-ATOM     93  CE2 TYR A  10      39.919  -0.350   6.147  1.00  9.78           C  
-ATOM     94  CZ  TYR A  10      38.740  -0.763   5.544  1.00 15.25           C  
-ATOM     95  OH  TYR A  10      38.271  -0.109   4.428  1.00  9.94           O  
-ATOM     96  N   SER A  11      41.191  -0.775  11.007  1.00  7.39           N  
-ATOM     97  CA  SER A  11      41.710   0.548  11.319  1.00  9.46           C  
-ATOM     98  C   SER A  11      42.847   0.886  10.356  1.00  9.77           C  
-ATOM     99  O   SER A  11      43.539  -0.007   9.861  1.00  6.83           O  
-ATOM    100  CB  SER A  11      42.206   0.598  12.769  1.00  7.59           C  
-ATOM    101  OG  SER A  11      43.264  -0.317  12.976  1.00  8.88           O  
-ATOM    102  N   ARG A  12      43.023   2.176  10.085  1.00  4.95           N  
-ATOM    103  CA  ARG A  12      44.072   2.645   9.183  1.00  6.18           C  
-ATOM    104  C   ARG A  12      44.652   3.979   9.646  1.00  6.07           C  
-ATOM    105  O   ARG A  12      43.930   4.838  10.150  1.00  6.60           O  
-ATOM    106  CB  ARG A  12      43.513   2.826   7.767  1.00  5.71           C  
-ATOM    107  CG  ARG A  12      43.024   1.551   7.100  1.00  4.47           C  
-ATOM    108  CD  ARG A  12      44.174   0.731   6.543  1.00  6.11           C  
-ATOM    109  NE  ARG A  12      43.696  -0.424   5.787  1.00  8.26           N  
-ATOM    110  CZ  ARG A  12      43.437  -1.620   6.310  1.00  9.54           C  
-ATOM    111  NH1 ARG A  12      43.610  -1.841   7.607  1.00  8.16           N  
-ATOM    112  NH2 ARG A  12      43.002  -2.599   5.528  1.00 11.79           N  
-ATOM    113  N   HIS A  13      45.958   4.136   9.454  1.00  4.04           N  
-ATOM    114  CA  HIS A  13      46.677   5.359   9.801  1.00  6.70           C  
-ATOM    115  C   HIS A  13      47.051   6.033   8.483  1.00  5.07           C  
-ATOM    116  O   HIS A  13      47.717   5.425   7.647  1.00  7.55           O  
-ATOM    117  CB  HIS A  13      47.987   5.041  10.533  1.00  2.75           C  
-ATOM    118  CG  HIS A  13      47.809   4.340  11.842  1.00  6.07           C  
-ATOM    119  ND1 HIS A  13      47.484   5.005  13.005  1.00 12.03           N  
-ATOM    120  CD2 HIS A  13      47.945   3.036  12.180  1.00 10.08           C  
-ATOM    121  CE1 HIS A  13      47.432   4.142  14.003  1.00 11.54           C  
-ATOM    122  NE2 HIS A  13      47.707   2.940  13.529  1.00  7.25           N  
-ATOM    123  N   PRO A  14      46.616   7.285   8.266  1.00  5.98           N  
-ATOM    124  CA  PRO A  14      46.989   7.932   7.003  1.00 12.71           C  
-ATOM    125  C   PRO A  14      48.507   8.111   7.000  1.00 11.60           C  
-ATOM    126  O   PRO A  14      49.076   8.608   7.969  1.00 13.01           O  
-ATOM    127  CB  PRO A  14      46.230   9.258   7.056  1.00 12.82           C  
-ATOM    128  CG  PRO A  14      46.136   9.538   8.523  1.00 12.78           C  
-ATOM    129  CD  PRO A  14      45.800   8.182   9.101  1.00 11.54           C  
-ATOM    130  N   ALA A  15      49.160   7.695   5.918  1.00  5.64           N  
-ATOM    131  CA  ALA A  15      50.612   7.782   5.826  1.00  5.70           C  
-ATOM    132  C   ALA A  15      51.166   9.190   6.026  1.00  7.90           C  
-ATOM    133  O   ALA A  15      52.269   9.351   6.539  1.00  7.39           O  
-ATOM    134  CB  ALA A  15      51.084   7.227   4.487  1.00 12.69           C  
-ATOM    135  N   GLU A  16      50.403  10.201   5.620  1.00 12.94           N  
-ATOM    136  CA  GLU A  16      50.842  11.589   5.761  1.00 14.01           C  
-ATOM    137  C   GLU A  16      50.694  12.107   7.191  1.00 23.94           C  
-ATOM    138  O   GLU A  16      51.208  13.174   7.530  1.00 21.36           O  
-ATOM    139  CB  GLU A  16      50.053  12.493   4.808  1.00 19.19           C  
-ATOM    140  CG  GLU A  16      50.334  12.236   3.334  1.00 30.03           C  
-ATOM    141  CD  GLU A  16      49.565  13.172   2.418  1.00 58.54           C  
-ATOM    142  OE1 GLU A  16      49.778  13.111   1.188  1.00 59.53           O  
-ATOM    143  OE2 GLU A  16      48.748  13.968   2.926  1.00 62.60           O  
-ATOM    144  N   ASN A  17      49.993  11.347   8.026  1.00 15.27           N  
-ATOM    145  CA  ASN A  17      49.772  11.728   9.418  1.00 18.99           C  
-ATOM    146  C   ASN A  17      49.632  10.450  10.243  1.00 12.16           C  
-ATOM    147  O   ASN A  17      48.553  10.133  10.743  1.00 15.09           O  
-ATOM    148  CB  ASN A  17      48.501  12.572   9.524  1.00 19.27           C  
-ATOM    149  CG  ASN A  17      48.343  13.228  10.881  1.00 38.87           C  
-ATOM    150  OD1 ASN A  17      47.361  13.927  11.132  1.00 35.08           O  
-ATOM    151  ND2 ASN A  17      49.310  13.009  11.764  1.00 35.04           N  
-ATOM    152  N   GLY A  18      50.742   9.730  10.375  1.00 12.96           N  
-ATOM    153  CA  GLY A  18      50.767   8.468  11.097  1.00 10.52           C  
-ATOM    154  C   GLY A  18      50.160   8.392  12.484  1.00 21.05           C  
-ATOM    155  O   GLY A  18      49.694   7.325  12.889  1.00 12.95           O  
-ATOM    156  N   LYS A  19      50.167   9.499  13.221  1.00 12.38           N  
-ATOM    157  CA  LYS A  19      49.608   9.504  14.571  1.00 19.16           C  
-ATOM    158  C   LYS A  19      48.097   9.315  14.553  1.00 20.22           C  
-ATOM    159  O   LYS A  19      47.524   8.747  15.483  1.00 22.51           O  
-ATOM    160  CB  LYS A  19      49.950  10.812  15.291  1.00 16.70           C  
-ATOM    161  CG  LYS A  19      51.433  11.009  15.556  1.00 31.22           C  
-ATOM    162  CD  LYS A  19      51.684  12.324  16.282  1.00 59.25           C  
-ATOM    163  CE  LYS A  19      53.162  12.530  16.572  1.00 64.99           C  
-ATOM    164  NZ  LYS A  19      53.413  13.814  17.285  1.00 63.32           N  
-ATOM    165  N   SER A  20      47.454   9.796  13.493  1.00 11.40           N  
-ATOM    166  CA  SER A  20      46.008   9.672  13.359  1.00  6.65           C  
-ATOM    167  C   SER A  20      45.618   8.230  13.051  1.00 10.43           C  
-ATOM    168  O   SER A  20      46.307   7.539  12.302  1.00 11.75           O  
-ATOM    169  CB  SER A  20      45.496  10.588  12.245  1.00 15.33           C  
-ATOM    170  OG  SER A  20      45.703  11.948  12.577  1.00 36.09           O  
-ATOM    171  N   ASN A  21      44.508   7.792  13.634  1.00  8.97           N  
-ATOM    172  CA  ASN A  21      44.007   6.435  13.441  1.00  8.00           C  
-ATOM    173  C   ASN A  21      42.528   6.542  13.082  1.00  8.67           C  
-ATOM    174  O   ASN A  21      41.788   7.306  13.702  1.00  7.57           O  
-ATOM    175  CB  ASN A  21      44.178   5.638  14.736  1.00 10.57           C  
-ATOM    176  CG  ASN A  21      44.167   4.139  14.511  1.00 13.49           C  
-ATOM    177  OD1 ASN A  21      43.973   3.660  13.391  1.00  8.43           O  
-ATOM    178  ND2 ASN A  21      44.379   3.388  15.585  1.00  9.04           N  
-ATOM    179  N   PHE A  22      42.101   5.783  12.078  1.00  6.04           N  
-ATOM    180  CA  PHE A  22      40.711   5.815  11.643  1.00  7.04           C  
-ATOM    181  C   PHE A  22      40.033   4.455  11.702  1.00  3.00           C  
-ATOM    182  O   PHE A  22      40.598   3.445  11.279  1.00  5.44           O  
-ATOM    183  CB  PHE A  22      40.612   6.355  10.212  1.00  7.91           C  
-ATOM    184  CG  PHE A  22      40.952   7.815  10.088  1.00  8.60           C  
-ATOM    185  CD1 PHE A  22      42.255   8.261  10.290  1.00 16.28           C  
-ATOM    186  CD2 PHE A  22      39.964   8.745   9.779  1.00 10.20           C  
-ATOM    187  CE1 PHE A  22      42.571   9.615  10.185  1.00 19.03           C  
-ATOM    188  CE2 PHE A  22      40.268  10.101   9.673  1.00 12.26           C  
-ATOM    189  CZ  PHE A  22      41.575  10.537   9.876  1.00 14.52           C  
-ATOM    190  N   LEU A  23      38.817   4.445  12.236  1.00  6.48           N  
-ATOM    191  CA  LEU A  23      38.024   3.226  12.335  1.00  4.75           C  
-ATOM    192  C   LEU A  23      37.188   3.167  11.063  1.00  1.86           C  
-ATOM    193  O   LEU A  23      36.453   4.108  10.754  1.00  4.54           O  
-ATOM    194  CB  LEU A  23      37.112   3.280  13.561  1.00  6.12           C  
-ATOM    195  CG  LEU A  23      36.174   2.085  13.756  1.00  4.68           C  
-ATOM    196  CD1 LEU A  23      36.981   0.789  13.853  1.00  7.65           C  
-ATOM    197  CD2 LEU A  23      35.346   2.305  15.015  1.00  5.62           C  
-ATOM    198  N   ASN A  24      37.298   2.053  10.344  1.00  4.19           N  
-ATOM    199  CA  ASN A  24      36.600   1.859   9.076  1.00  6.68           C  
-ATOM    200  C   ASN A  24      35.612   0.704   9.050  1.00  3.97           C  
-ATOM    201  O   ASN A  24      35.865  -0.359   9.619  1.00  5.77           O  
-ATOM    202  CB  ASN A  24      37.612   1.589   7.956  1.00  7.29           C  
-ATOM    203  CG  ASN A  24      38.534   2.758   7.692  1.00  8.10           C  
-ATOM    204  OD1 ASN A  24      38.291   3.562   6.796  1.00 11.48           O  
-ATOM    205  ND2 ASN A  24      39.603   2.856   8.472  1.00  9.88           N  
-ATOM    206  N   CYS A  25      34.491   0.928   8.374  1.00  4.36           N  
-ATOM    207  CA  CYS A  25      33.486  -0.105   8.179  1.00  3.54           C  
-ATOM    208  C   CYS A  25      33.217  -0.101   6.684  1.00  7.24           C  
-ATOM    209  O   CYS A  25      32.603   0.831   6.160  1.00  7.80           O  
-ATOM    210  CB  CYS A  25      32.180   0.196   8.910  1.00  3.68           C  
-ATOM    211  SG  CYS A  25      31.013  -1.193   8.719  1.00  9.03           S  
-ATOM    212  N   TYR A  26      33.699  -1.129   5.996  1.00  2.86           N  
-ATOM    213  CA  TYR A  26      33.500  -1.233   4.562  1.00  3.52           C  
-ATOM    214  C   TYR A  26      32.368  -2.210   4.308  1.00  2.81           C  
-ATOM    215  O   TYR A  26      32.488  -3.398   4.599  1.00  4.50           O  
-ATOM    216  CB  TYR A  26      34.787  -1.713   3.887  1.00  2.87           C  
-ATOM    217  CG  TYR A  26      34.710  -1.796   2.384  1.00  6.30           C  
-ATOM    218  CD1 TYR A  26      34.150  -0.762   1.636  1.00  9.14           C  
-ATOM    219  CD2 TYR A  26      35.235  -2.896   1.702  1.00  6.28           C  
-ATOM    220  CE1 TYR A  26      34.115  -0.817   0.242  1.00 10.15           C  
-ATOM    221  CE2 TYR A  26      35.206  -2.960   0.309  1.00 10.27           C  
-ATOM    222  CZ  TYR A  26      34.647  -1.918  -0.412  1.00 16.27           C  
-ATOM    223  OH  TYR A  26      34.630  -1.970  -1.787  1.00 11.35           O  
-ATOM    224  N   VAL A  27      31.263  -1.690   3.778  1.00  2.53           N  
-ATOM    225  CA  VAL A  27      30.069  -2.484   3.480  1.00  1.00           C  
-ATOM    226  C   VAL A  27      30.013  -2.590   1.960  1.00  6.29           C  
-ATOM    227  O   VAL A  27      29.782  -1.598   1.272  1.00  4.64           O  
-ATOM    228  CB  VAL A  27      28.824  -1.771   4.032  1.00  3.85           C  
-ATOM    229  CG1 VAL A  27      27.589  -2.643   3.861  1.00  5.98           C  
-ATOM    230  CG2 VAL A  27      29.045  -1.442   5.499  1.00  6.42           C  
-ATOM    231  N   SER A  28      30.202  -3.799   1.438  1.00  7.30           N  
-ATOM    232  CA  SER A  28      30.285  -3.969  -0.006  1.00  5.33           C  
-ATOM    233  C   SER A  28      29.359  -4.938  -0.723  1.00  6.31           C  
-ATOM    234  O   SER A  28      28.902  -5.929  -0.154  1.00  5.47           O  
-ATOM    235  CB  SER A  28      31.722  -4.352  -0.352  1.00  8.45           C  
-ATOM    236  OG  SER A  28      32.078  -5.547   0.335  1.00  7.42           O  
-ATOM    237  N   GLY A  29      29.131  -4.630  -1.999  1.00  4.91           N  
-ATOM    238  CA  GLY A  29      28.313  -5.448  -2.879  1.00  4.59           C  
-ATOM    239  C   GLY A  29      26.865  -5.674  -2.505  1.00  7.77           C  
-ATOM    240  O   GLY A  29      26.304  -6.717  -2.833  1.00 11.51           O  
-ATOM    241  N   PHE A  30      26.239  -4.705  -1.847  1.00  3.38           N  
-ATOM    242  CA  PHE A  30      24.852  -4.887  -1.442  1.00  2.53           C  
-ATOM    243  C   PHE A  30      23.818  -4.271  -2.379  1.00 10.78           C  
-ATOM    244  O   PHE A  30      24.132  -3.397  -3.186  1.00  5.84           O  
-ATOM    245  CB  PHE A  30      24.638  -4.344  -0.023  1.00  5.77           C  
-ATOM    246  CG  PHE A  30      24.920  -2.869   0.126  1.00  4.24           C  
-ATOM    247  CD1 PHE A  30      26.220  -2.406   0.330  1.00  2.86           C  
-ATOM    248  CD2 PHE A  30      23.880  -1.947   0.084  1.00  5.94           C  
-ATOM    249  CE1 PHE A  30      26.474  -1.039   0.497  1.00  4.07           C  
-ATOM    250  CE2 PHE A  30      24.122  -0.582   0.249  1.00  1.81           C  
-ATOM    251  CZ  PHE A  30      25.419  -0.129   0.456  1.00  2.57           C  
-ATOM    252  N   HIS A  31      22.585  -4.760  -2.260  1.00  4.68           N  
-ATOM    253  CA  HIS A  31      21.440  -4.282  -3.032  1.00  2.85           C  
-ATOM    254  C   HIS A  31      20.183  -4.819  -2.349  1.00  2.70           C  
-ATOM    255  O   HIS A  31      20.151  -5.977  -1.922  1.00  3.31           O  
-ATOM    256  CB  HIS A  31      21.502  -4.782  -4.483  1.00  4.13           C  
-ATOM    257  CG  HIS A  31      20.617  -4.018  -5.419  1.00  5.32           C  
-ATOM    258  ND1 HIS A  31      19.354  -4.444  -5.773  1.00  6.01           N  
-ATOM    259  CD2 HIS A  31      20.793  -2.821  -6.029  1.00 10.04           C  
-ATOM    260  CE1 HIS A  31      18.791  -3.543  -6.560  1.00 16.44           C  
-ATOM    261  NE2 HIS A  31      19.644  -2.548  -6.730  1.00 14.29           N  
-ATOM    262  N   PRO A  32      19.132  -3.987  -2.221  1.00  4.15           N  
-ATOM    263  CA  PRO A  32      19.046  -2.591  -2.672  1.00  1.07           C  
-ATOM    264  C   PRO A  32      19.985  -1.678  -1.893  1.00  4.50           C  
-ATOM    265  O   PRO A  32      20.607  -2.104  -0.926  1.00  4.79           O  
-ATOM    266  CB  PRO A  32      17.576  -2.248  -2.449  1.00  2.62           C  
-ATOM    267  CG  PRO A  32      17.224  -3.078  -1.252  1.00 11.51           C  
-ATOM    268  CD  PRO A  32      17.873  -4.405  -1.580  1.00 12.35           C  
-ATOM    269  N   SER A  33      20.070  -0.419  -2.316  1.00  5.38           N  
-ATOM    270  CA  SER A  33      20.953   0.551  -1.677  1.00  4.80           C  
-ATOM    271  C   SER A  33      20.506   1.011  -0.287  1.00  1.28           C  
-ATOM    272  O   SER A  33      21.337   1.462   0.502  1.00  5.58           O  
-ATOM    273  CB  SER A  33      21.124   1.770  -2.588  1.00  1.00           C  
-ATOM    274  OG  SER A  33      19.873   2.398  -2.796  1.00  5.72           O  
-ATOM    275  N   ASP A  34      19.209   0.918   0.011  1.00  1.00           N  
-ATOM    276  CA  ASP A  34      18.706   1.317   1.330  1.00  1.33           C  
-ATOM    277  C   ASP A  34      19.517   0.597   2.400  1.00  4.71           C  
-ATOM    278  O   ASP A  34      19.657  -0.623   2.362  1.00  3.90           O  
-ATOM    279  CB  ASP A  34      17.237   0.934   1.504  1.00  3.64           C  
-ATOM    280  CG  ASP A  34      16.322   1.680   0.564  1.00 10.10           C  
-ATOM    281  OD1 ASP A  34      16.564   1.643  -0.660  1.00 34.23           O  
-ATOM    282  OD2 ASP A  34      15.352   2.290   1.057  1.00 12.60           O  
-ATOM    283  N   ILE A  35      20.036   1.340   3.369  1.00  2.93           N  
-ATOM    284  CA  ILE A  35      20.833   0.703   4.405  1.00  3.48           C  
-ATOM    285  C   ILE A  35      21.054   1.647   5.583  1.00  5.41           C  
-ATOM    286  O   ILE A  35      20.914   2.858   5.453  1.00  3.79           O  
-ATOM    287  CB  ILE A  35      22.197   0.252   3.812  1.00  1.84           C  
-ATOM    288  CG1 ILE A  35      22.831  -0.827   4.690  1.00  2.27           C  
-ATOM    289  CG2 ILE A  35      23.133   1.452   3.663  1.00  5.07           C  
-ATOM    290  CD1 ILE A  35      24.018  -1.518   4.029  1.00  5.70           C  
-ATOM    291  N   GLU A  36      21.363   1.073   6.739  1.00  4.67           N  
-ATOM    292  CA  GLU A  36      21.638   1.846   7.942  1.00  8.88           C  
-ATOM    293  C   GLU A  36      22.937   1.275   8.489  1.00  8.06           C  
-ATOM    294  O   GLU A  36      23.059   0.065   8.677  1.00  5.17           O  
-ATOM    295  CB  GLU A  36      20.507   1.689   8.962  1.00  2.69           C  
-ATOM    296  CG  GLU A  36      20.787   2.356  10.301  1.00  8.02           C  
-ATOM    297  CD  GLU A  36      19.594   2.310  11.233  1.00 17.36           C  
-ATOM    298  OE1 GLU A  36      18.883   1.284  11.238  1.00 15.29           O  
-ATOM    299  OE2 GLU A  36      19.372   3.294  11.966  1.00 14.36           O  
-ATOM    300  N   VAL A  37      23.914   2.143   8.728  1.00  3.70           N  
-ATOM    301  CA  VAL A  37      25.210   1.697   9.218  1.00  3.23           C  
-ATOM    302  C   VAL A  37      25.706   2.586  10.338  1.00  7.35           C  
-ATOM    303  O   VAL A  37      25.658   3.808  10.235  1.00  5.44           O  
-ATOM    304  CB  VAL A  37      26.262   1.712   8.090  1.00  1.00           C  
-ATOM    305  CG1 VAL A  37      27.616   1.251   8.628  1.00  5.71           C  
-ATOM    306  CG2 VAL A  37      25.803   0.819   6.943  1.00  4.93           C  
-ATOM    307  N   ASP A  38      26.191   1.962  11.404  1.00  4.65           N  
-ATOM    308  CA  ASP A  38      26.711   2.699  12.548  1.00  7.24           C  
-ATOM    309  C   ASP A  38      27.997   2.088  13.059  1.00  9.24           C  
-ATOM    310  O   ASP A  38      28.201   0.878  12.974  1.00  7.97           O  
-ATOM    311  CB  ASP A  38      25.707   2.695  13.704  1.00  6.08           C  
-ATOM    312  CG  ASP A  38      24.557   3.651  13.485  1.00 11.53           C  
-ATOM    313  OD1 ASP A  38      24.806   4.872  13.410  1.00 12.77           O  
-ATOM    314  OD2 ASP A  38      23.407   3.178  13.394  1.00 12.49           O  
-ATOM    315  N   LEU A  39      28.876   2.941  13.569  1.00  3.87           N  
-ATOM    316  CA  LEU A  39      30.106   2.470  14.179  1.00  3.85           C  
-ATOM    317  C   LEU A  39      29.710   2.491  15.649  1.00 11.34           C  
-ATOM    318  O   LEU A  39      28.949   3.363  16.067  1.00  7.55           O  
-ATOM    319  CB  LEU A  39      31.260   3.442  13.928  1.00  2.31           C  
-ATOM    320  CG  LEU A  39      31.770   3.519  12.487  1.00  9.10           C  
-ATOM    321  CD1 LEU A  39      32.958   4.456  12.413  1.00  7.16           C  
-ATOM    322  CD2 LEU A  39      32.174   2.130  12.023  1.00  6.21           C  
-ATOM    323  N   LEU A  40      30.201   1.528  16.421  1.00  6.03           N  
-ATOM    324  CA  LEU A  40      29.875   1.450  17.837  1.00 11.60           C  
-ATOM    325  C   LEU A  40      31.122   1.465  18.699  1.00 10.58           C  
-ATOM    326  O   LEU A  40      32.181   0.990  18.291  1.00  8.71           O  
-ATOM    327  CB  LEU A  40      29.109   0.158  18.145  1.00  7.69           C  
-ATOM    328  CG  LEU A  40      27.867  -0.211  17.330  1.00  6.51           C  
-ATOM    329  CD1 LEU A  40      27.324  -1.540  17.829  1.00 14.34           C  
-ATOM    330  CD2 LEU A  40      26.812   0.869  17.448  1.00  8.69           C  
-ATOM    331  N   LYS A  41      30.981   2.028  19.893  1.00  9.68           N  
-ATOM    332  CA  LYS A  41      32.059   2.065  20.869  1.00 11.38           C  
-ATOM    333  C   LYS A  41      31.414   1.542  22.142  1.00  8.80           C  
-ATOM    334  O   LYS A  41      30.535   2.192  22.712  1.00 11.20           O  
-ATOM    335  CB  LYS A  41      32.569   3.484  21.103  1.00 12.19           C  
-ATOM    336  CG  LYS A  41      33.722   3.522  22.103  1.00 14.14           C  
-ATOM    337  CD  LYS A  41      34.180   4.932  22.406  1.00 12.18           C  
-ATOM    338  CE  LYS A  41      35.291   4.914  23.444  1.00 29.29           C  
-ATOM    339  NZ  LYS A  41      35.703   6.283  23.853  1.00 25.27           N  
-ATOM    340  N   ASN A  42      31.837   0.359  22.567  1.00 11.90           N  
-ATOM    341  CA  ASN A  42      31.284  -0.268  23.759  1.00 18.03           C  
-ATOM    342  C   ASN A  42      29.760  -0.353  23.672  1.00 27.79           C  
-ATOM    343  O   ASN A  42      29.051  -0.056  24.636  1.00 27.23           O  
-ATOM    344  CB  ASN A  42      31.706   0.506  25.012  1.00 25.83           C  
-ATOM    345  CG  ASN A  42      33.214   0.577  25.168  1.00 18.31           C  
-ATOM    346  OD1 ASN A  42      33.908  -0.431  25.044  1.00 18.76           O  
-ATOM    347  ND2 ASN A  42      33.729   1.772  25.443  1.00 21.84           N  
-ATOM    348  N   GLY A  43      29.267  -0.751  22.501  1.00 25.21           N  
-ATOM    349  CA  GLY A  43      27.835  -0.895  22.295  1.00 23.86           C  
-ATOM    350  C   GLY A  43      27.056   0.380  22.036  1.00 20.96           C  
-ATOM    351  O   GLY A  43      25.876   0.325  21.688  1.00 25.63           O  
-ATOM    352  N   GLU A  44      27.706   1.526  22.206  1.00 13.88           N  
-ATOM    353  CA  GLU A  44      27.065   2.818  21.995  1.00 14.99           C  
-ATOM    354  C   GLU A  44      27.344   3.345  20.593  1.00 15.66           C  
-ATOM    355  O   GLU A  44      28.468   3.279  20.106  1.00 13.49           O  
-ATOM    356  CB  GLU A  44      27.574   3.834  23.023  1.00 24.96           C  
-ATOM    357  CG  GLU A  44      27.198   3.534  24.470  1.00 30.10           C  
-ATOM    358  CD  GLU A  44      25.755   3.880  24.789  1.00 46.26           C  
-ATOM    359  OE1 GLU A  44      25.335   5.016  24.488  1.00 47.27           O  
-ATOM    360  OE2 GLU A  44      25.042   3.023  25.352  1.00 33.08           O  
-ATOM    361  N   ARG A  45      26.312   3.879  19.953  1.00 12.45           N  
-ATOM    362  CA  ARG A  45      26.445   4.425  18.609  1.00 16.00           C  
-ATOM    363  C   ARG A  45      27.329   5.672  18.599  1.00 15.48           C  
-ATOM    364  O   ARG A  45      27.163   6.564  19.430  1.00 19.39           O  
-ATOM    365  CB  ARG A  45      25.056   4.766  18.061  1.00 12.17           C  
-ATOM    366  CG  ARG A  45      25.048   5.548  16.764  1.00 27.57           C  
-ATOM    367  CD  ARG A  45      23.619   5.746  16.274  1.00 29.67           C  
-ATOM    368  NE  ARG A  45      23.552   6.552  15.059  1.00 41.22           N  
-ATOM    369  CZ  ARG A  45      23.793   7.858  15.011  1.00 47.93           C  
-ATOM    370  NH1 ARG A  45      24.117   8.516  16.115  1.00 48.83           N  
-ATOM    371  NH2 ARG A  45      23.707   8.507  13.857  1.00 40.81           N  
-ATOM    372  N   ILE A  46      28.281   5.719  17.671  1.00  7.94           N  
-ATOM    373  CA  ILE A  46      29.160   6.877  17.541  1.00  8.09           C  
-ATOM    374  C   ILE A  46      28.415   7.879  16.659  1.00 14.48           C  
-ATOM    375  O   ILE A  46      28.218   7.651  15.468  1.00 10.05           O  
-ATOM    376  CB  ILE A  46      30.513   6.484  16.895  1.00  6.08           C  
-ATOM    377  CG1 ILE A  46      31.253   5.508  17.813  1.00 10.15           C  
-ATOM    378  CG2 ILE A  46      31.359   7.724  16.639  1.00 10.90           C  
-ATOM    379  CD1 ILE A  46      32.554   4.971  17.241  1.00 13.79           C  
-ATOM    380  N   GLU A  47      27.990   8.985  17.262  1.00 17.83           N  
-ATOM    381  CA  GLU A  47      27.231  10.014  16.560  1.00 23.98           C  
-ATOM    382  C   GLU A  47      28.038  10.752  15.499  1.00 24.25           C  
-ATOM    383  O   GLU A  47      27.525  11.077  14.429  1.00 25.34           O  
-ATOM    384  CB  GLU A  47      26.679  11.024  17.569  1.00 33.47           C  
-ATOM    385  CG  GLU A  47      25.743  12.060  16.974  1.00 53.45           C  
-ATOM    386  CD  GLU A  47      24.440  11.456  16.490  1.00 66.19           C  
-ATOM    387  OE1 GLU A  47      23.694  10.902  17.326  1.00 59.58           O  
-ATOM    388  OE2 GLU A  47      24.161  11.535  15.275  1.00 65.83           O  
-ATOM    389  N   LYS A  48      29.303  11.010  15.803  1.00 13.47           N  
-ATOM    390  CA  LYS A  48      30.178  11.729  14.893  1.00 24.38           C  
-ATOM    391  C   LYS A  48      31.016  10.823  13.994  1.00 21.74           C  
-ATOM    392  O   LYS A  48      32.017  10.262  14.431  1.00 14.47           O  
-ATOM    393  CB  LYS A  48      31.106  12.640  15.702  1.00 26.34           C  
-ATOM    394  CG  LYS A  48      32.110  13.427  14.882  1.00 29.56           C  
-ATOM    395  CD  LYS A  48      33.051  14.200  15.794  1.00 33.29           C  
-ATOM    396  CE  LYS A  48      34.007  15.068  14.997  1.00 50.95           C  
-ATOM    397  NZ  LYS A  48      33.279  16.107  14.218  1.00 61.91           N  
-ATOM    398  N   VAL A  49      30.590  10.667  12.744  1.00 17.01           N  
-ATOM    399  CA  VAL A  49      31.338   9.870  11.776  1.00 10.20           C  
-ATOM    400  C   VAL A  49      31.580  10.791  10.585  1.00 15.47           C  
-ATOM    401  O   VAL A  49      30.678  11.060   9.791  1.00 15.53           O  
-ATOM    402  CB  VAL A  49      30.568   8.613  11.329  1.00  7.87           C  
-ATOM    403  CG1 VAL A  49      31.385   7.855  10.287  1.00  7.12           C  
-ATOM    404  CG2 VAL A  49      30.304   7.713  12.535  1.00  9.70           C  
-ATOM    405  N   GLU A  50      32.815  11.272  10.489  1.00  7.12           N  
-ATOM    406  CA  GLU A  50      33.240  12.217   9.463  1.00 13.36           C  
-ATOM    407  C   GLU A  50      33.110  11.825   7.996  1.00 19.43           C  
-ATOM    408  O   GLU A  50      32.853  12.682   7.149  1.00 16.94           O  
-ATOM    409  CB  GLU A  50      34.693  12.625   9.727  1.00 19.22           C  
-ATOM    410  CG  GLU A  50      34.909  13.405  11.013  1.00 44.63           C  
-ATOM    411  CD  GLU A  50      34.252  14.773  10.986  1.00 54.17           C  
-ATOM    412  OE1 GLU A  50      34.423  15.532  11.962  1.00 65.17           O  
-ATOM    413  OE2 GLU A  50      33.566  15.092   9.992  1.00 63.53           O  
-ATOM    414  N   HIS A  51      33.282  10.546   7.685  1.00 10.35           N  
-ATOM    415  CA  HIS A  51      33.224  10.119   6.291  1.00  6.92           C  
-ATOM    416  C   HIS A  51      32.238   8.997   5.987  1.00  3.60           C  
-ATOM    417  O   HIS A  51      32.171   7.998   6.698  1.00  6.88           O  
-ATOM    418  CB  HIS A  51      34.624   9.701   5.845  1.00 14.30           C  
-ATOM    419  CG  HIS A  51      35.658  10.766   6.035  1.00 21.79           C  
-ATOM    420  ND1 HIS A  51      35.761  11.860   5.203  1.00 25.21           N  
-ATOM    421  CD2 HIS A  51      36.616  10.920   6.979  1.00 31.85           C  
-ATOM    422  CE1 HIS A  51      36.739  12.642   5.626  1.00 31.43           C  
-ATOM    423  NE2 HIS A  51      37.273  12.095   6.703  1.00 29.86           N  
-ATOM    424  N   SER A  52      31.472   9.183   4.916  1.00  9.01           N  
-ATOM    425  CA  SER A  52      30.493   8.199   4.466  1.00  5.16           C  
-ATOM    426  C   SER A  52      30.500   8.296   2.942  1.00 15.14           C  
-ATOM    427  O   SER A  52      29.829   9.148   2.366  1.00 16.36           O  
-ATOM    428  CB  SER A  52      29.102   8.536   5.010  1.00 11.20           C  
-ATOM    429  OG  SER A  52      28.177   7.497   4.737  1.00  9.94           O  
-ATOM    430  N   ASP A  53      31.273   7.427   2.299  1.00  7.19           N  
-ATOM    431  CA  ASP A  53      31.393   7.439   0.843  1.00  9.62           C  
-ATOM    432  C   ASP A  53      30.648   6.285   0.184  1.00  8.88           C  
-ATOM    433  O   ASP A  53      30.994   5.120   0.385  1.00  8.55           O  
-ATOM    434  CB  ASP A  53      32.872   7.383   0.433  1.00 13.75           C  
-ATOM    435  CG  ASP A  53      33.722   8.427   1.143  1.00 23.24           C  
-ATOM    436  OD1 ASP A  53      33.209   9.528   1.421  1.00 12.00           O  
-ATOM    437  OD2 ASP A  53      34.910   8.151   1.410  1.00 21.97           O  
-ATOM    438  N   LEU A  54      29.638   6.620  -0.616  1.00  7.75           N  
-ATOM    439  CA  LEU A  54      28.838   5.619  -1.315  1.00  6.54           C  
-ATOM    440  C   LEU A  54      29.145   5.627  -2.809  1.00 10.68           C  
-ATOM    441  O   LEU A  54      29.351   6.683  -3.408  1.00  7.83           O  
-ATOM    442  CB  LEU A  54      27.347   5.894  -1.113  1.00  3.57           C  
-ATOM    443  CG  LEU A  54      26.373   4.906  -1.764  1.00  7.10           C  
-ATOM    444  CD1 LEU A  54      26.383   3.595  -0.983  1.00  7.58           C  
-ATOM    445  CD2 LEU A  54      24.974   5.497  -1.779  1.00  7.25           C  
-ATOM    446  N   SER A  55      29.171   4.438  -3.399  1.00  3.83           N  
-ATOM    447  CA  SER A  55      29.434   4.280  -4.821  1.00  3.58           C  
-ATOM    448  C   SER A  55      28.761   2.999  -5.288  1.00  1.00           C  
-ATOM    449  O   SER A  55      28.215   2.249  -4.482  1.00  1.00           O  
-ATOM    450  CB  SER A  55      30.943   4.190  -5.082  1.00  3.07           C  
-ATOM    451  OG  SER A  55      31.518   3.046  -4.467  1.00  7.96           O  
-ATOM    452  N   PHE A  56      28.780   2.772  -6.594  1.00  4.73           N  
-ATOM    453  CA  PHE A  56      28.215   1.561  -7.167  1.00  6.04           C  
-ATOM    454  C   PHE A  56      29.061   1.178  -8.374  1.00  4.14           C  
-ATOM    455  O   PHE A  56      29.697   2.034  -8.986  1.00  9.73           O  
-ATOM    456  CB  PHE A  56      26.736   1.771  -7.555  1.00  2.12           C  
-ATOM    457  CG  PHE A  56      26.507   2.815  -8.623  1.00  7.24           C  
-ATOM    458  CD1 PHE A  56      26.610   2.490  -9.973  1.00  8.10           C  
-ATOM    459  CD2 PHE A  56      26.157   4.117  -8.273  1.00  6.14           C  
-ATOM    460  CE1 PHE A  56      26.364   3.451 -10.964  1.00  5.87           C  
-ATOM    461  CE2 PHE A  56      25.910   5.085  -9.254  1.00  7.31           C  
-ATOM    462  CZ  PHE A  56      26.014   4.749 -10.598  1.00  8.06           C  
-ATOM    463  N   SER A  57      29.110  -0.113  -8.685  1.00  4.22           N  
-ATOM    464  CA  SER A  57      29.869  -0.587  -9.840  1.00  6.27           C  
-ATOM    465  C   SER A  57      28.783  -0.872 -10.866  1.00 11.84           C  
-ATOM    466  O   SER A  57      28.460  -0.018 -11.692  1.00 13.56           O  
-ATOM    467  CB  SER A  57      30.648  -1.859  -9.487  1.00  6.55           C  
-ATOM    468  OG  SER A  57      29.799  -2.846  -8.934  1.00  6.78           O  
-ATOM    469  N   LYS A  58      28.211  -2.068 -10.806  1.00 10.45           N  
-ATOM    470  CA  LYS A  58      27.104  -2.404 -11.689  1.00 17.82           C  
-ATOM    471  C   LYS A  58      25.965  -1.595 -11.071  1.00 26.11           C  
-ATOM    472  O   LYS A  58      26.059  -1.192  -9.910  1.00 10.15           O  
-ATOM    473  CB  LYS A  58      26.780  -3.898 -11.607  1.00 10.51           C  
-ATOM    474  CG  LYS A  58      27.851  -4.815 -12.171  1.00 21.44           C  
-ATOM    475  CD  LYS A  58      27.917  -4.712 -13.685  1.00 38.83           C  
-ATOM    476  CE  LYS A  58      28.885  -5.728 -14.269  1.00 46.78           C  
-ATOM    477  NZ  LYS A  58      28.902  -5.675 -15.758  1.00 39.56           N  
-ATOM    478  N   ASP A  59      24.899  -1.348 -11.826  1.00 11.95           N  
-ATOM    479  CA  ASP A  59      23.779  -0.578 -11.289  1.00 14.03           C  
-ATOM    480  C   ASP A  59      23.150  -1.226 -10.059  1.00 18.01           C  
-ATOM    481  O   ASP A  59      22.461  -0.562  -9.288  1.00 12.60           O  
-ATOM    482  CB  ASP A  59      22.702  -0.376 -12.358  1.00 16.40           C  
-ATOM    483  CG  ASP A  59      23.101   0.647 -13.403  1.00 21.20           C  
-ATOM    484  OD1 ASP A  59      24.138   1.317 -13.220  1.00 18.03           O  
-ATOM    485  OD2 ASP A  59      22.369   0.789 -14.404  1.00 20.81           O  
-ATOM    486  N   TRP A  60      23.397  -2.519  -9.872  1.00  9.82           N  
-ATOM    487  CA  TRP A  60      22.828  -3.247  -8.741  1.00 10.51           C  
-ATOM    488  C   TRP A  60      23.852  -3.686  -7.697  1.00 19.63           C  
-ATOM    489  O   TRP A  60      23.638  -4.672  -6.993  1.00 11.53           O  
-ATOM    490  CB  TRP A  60      22.069  -4.474  -9.251  1.00 11.13           C  
-ATOM    491  CG  TRP A  60      22.913  -5.342 -10.124  1.00 20.39           C  
-ATOM    492  CD1 TRP A  60      23.816  -6.285  -9.718  1.00 20.27           C  
-ATOM    493  CD2 TRP A  60      22.982  -5.309 -11.555  1.00 17.37           C  
-ATOM    494  NE1 TRP A  60      24.443  -6.840 -10.809  1.00 23.83           N  
-ATOM    495  CE2 TRP A  60      23.950  -6.259 -11.948  1.00 20.24           C  
-ATOM    496  CE3 TRP A  60      22.319  -4.568 -12.543  1.00 35.60           C  
-ATOM    497  CZ2 TRP A  60      24.274  -6.489 -13.292  1.00 34.58           C  
-ATOM    498  CZ3 TRP A  60      22.642  -4.796 -13.881  1.00 24.62           C  
-ATOM    499  CH2 TRP A  60      23.611  -5.750 -14.240  1.00 25.63           C  
-ATOM    500  N   SER A  61      24.962  -2.964  -7.595  1.00  8.13           N  
-ATOM    501  CA  SER A  61      25.981  -3.311  -6.608  1.00  4.93           C  
-ATOM    502  C   SER A  61      26.527  -2.046  -5.958  1.00  7.18           C  
-ATOM    503  O   SER A  61      27.233  -1.264  -6.599  1.00  5.07           O  
-ATOM    504  CB  SER A  61      27.113  -4.098  -7.268  1.00 11.51           C  
-ATOM    505  OG  SER A  61      28.052  -4.538  -6.301  1.00 12.98           O  
-ATOM    506  N   PHE A  62      26.191  -1.850  -4.686  1.00  2.19           N  
-ATOM    507  CA  PHE A  62      26.625  -0.666  -3.949  1.00  1.00           C  
-ATOM    508  C   PHE A  62      27.747  -0.940  -2.961  1.00 11.73           C  
-ATOM    509  O   PHE A  62      27.904  -2.060  -2.466  1.00  2.80           O  
-ATOM    510  CB  PHE A  62      25.432  -0.040  -3.216  1.00  1.57           C  
-ATOM    511  CG  PHE A  62      24.509   0.733  -4.116  1.00  4.35           C  
-ATOM    512  CD1 PHE A  62      24.560   2.126  -4.161  1.00  5.49           C  
-ATOM    513  CD2 PHE A  62      23.601   0.068  -4.937  1.00  4.91           C  
-ATOM    514  CE1 PHE A  62      23.716   2.847  -5.014  1.00  4.99           C  
-ATOM    515  CE2 PHE A  62      22.752   0.779  -5.795  1.00  9.82           C  
-ATOM    516  CZ  PHE A  62      22.811   2.171  -5.832  1.00  4.73           C  
-ATOM    517  N   TYR A  63      28.520   0.105  -2.682  1.00  3.81           N  
-ATOM    518  CA  TYR A  63      29.650   0.026  -1.768  1.00  3.62           C  
-ATOM    519  C   TYR A  63      29.659   1.254  -0.878  1.00  5.07           C  
-ATOM    520  O   TYR A  63      29.472   2.372  -1.356  1.00  5.16           O  
-ATOM    521  CB  TYR A  63      30.961  -0.026  -2.553  1.00  3.19           C  
-ATOM    522  CG  TYR A  63      31.004  -1.157  -3.544  1.00  3.40           C  
-ATOM    523  CD1 TYR A  63      30.393  -1.038  -4.792  1.00  5.70           C  
-ATOM    524  CD2 TYR A  63      31.581  -2.381  -3.205  1.00  4.94           C  
-ATOM    525  CE1 TYR A  63      30.348  -2.109  -5.674  1.00 10.08           C  
-ATOM    526  CE2 TYR A  63      31.541  -3.460  -4.082  1.00  8.07           C  
-ATOM    527  CZ  TYR A  63      30.922  -3.316  -5.312  1.00 11.23           C  
-ATOM    528  OH  TYR A  63      30.863  -4.385  -6.175  1.00 12.27           O  
-ATOM    529  N   LEU A  64      29.884   1.040   0.413  1.00  2.65           N  
-ATOM    530  CA  LEU A  64      29.923   2.139   1.363  1.00  5.08           C  
-ATOM    531  C   LEU A  64      31.127   2.041   2.278  1.00  4.51           C  
-ATOM    532  O   LEU A  64      31.350   1.007   2.909  1.00  5.21           O  
-ATOM    533  CB  LEU A  64      28.660   2.149   2.230  1.00  4.51           C  
-ATOM    534  CG  LEU A  64      28.626   3.243   3.308  1.00 11.02           C  
-ATOM    535  CD1 LEU A  64      28.412   4.594   2.645  1.00  9.26           C  
-ATOM    536  CD2 LEU A  64      27.511   2.963   4.307  1.00 13.20           C  
-ATOM    537  N   LEU A  65      31.913   3.113   2.332  1.00  3.06           N  
-ATOM    538  CA  LEU A  65      33.057   3.170   3.228  1.00  3.25           C  
-ATOM    539  C   LEU A  65      32.642   4.203   4.269  1.00  4.06           C  
-ATOM    540  O   LEU A  65      32.461   5.384   3.955  1.00  7.34           O  
-ATOM    541  CB  LEU A  65      34.326   3.629   2.508  1.00  8.39           C  
-ATOM    542  CG  LEU A  65      35.561   3.626   3.420  1.00  5.46           C  
-ATOM    543  CD1 LEU A  65      35.807   2.214   3.939  1.00  6.67           C  
-ATOM    544  CD2 LEU A  65      36.778   4.133   2.657  1.00  8.20           C  
-ATOM    545  N   TYR A  66      32.489   3.742   5.503  1.00  3.55           N  
-ATOM    546  CA  TYR A  66      32.044   4.578   6.615  1.00  3.71           C  
-ATOM    547  C   TYR A  66      33.165   4.597   7.643  1.00  2.41           C  
-ATOM    548  O   TYR A  66      33.427   3.588   8.296  1.00  5.85           O  
-ATOM    549  CB  TYR A  66      30.781   3.938   7.200  1.00  4.04           C  
-ATOM    550  CG  TYR A  66      29.983   4.753   8.190  1.00  3.95           C  
-ATOM    551  CD1 TYR A  66      29.311   5.914   7.802  1.00  5.30           C  
-ATOM    552  CD2 TYR A  66      29.833   4.314   9.507  1.00  7.69           C  
-ATOM    553  CE1 TYR A  66      28.497   6.613   8.705  1.00  6.56           C  
-ATOM    554  CE2 TYR A  66      29.029   5.001  10.414  1.00  4.88           C  
-ATOM    555  CZ  TYR A  66      28.363   6.146  10.010  1.00  6.19           C  
-ATOM    556  OH  TYR A  66      27.563   6.812  10.914  1.00  7.58           O  
-ATOM    557  N   TYR A  67      33.831   5.738   7.788  1.00  6.72           N  
-ATOM    558  CA  TYR A  67      34.936   5.823   8.734  1.00  6.34           C  
-ATOM    559  C   TYR A  67      35.095   7.183   9.396  1.00  4.91           C  
-ATOM    560  O   TYR A  67      34.552   8.188   8.933  1.00  5.53           O  
-ATOM    561  CB  TYR A  67      36.253   5.441   8.049  1.00  4.20           C  
-ATOM    562  CG  TYR A  67      36.729   6.411   6.985  1.00 12.76           C  
-ATOM    563  CD1 TYR A  67      36.098   6.486   5.745  1.00 15.27           C  
-ATOM    564  CD2 TYR A  67      37.829   7.236   7.215  1.00 19.75           C  
-ATOM    565  CE1 TYR A  67      36.554   7.356   4.755  1.00 22.04           C  
-ATOM    566  CE2 TYR A  67      38.294   8.109   6.235  1.00 23.93           C  
-ATOM    567  CZ  TYR A  67      37.652   8.163   5.007  1.00 26.37           C  
-ATOM    568  OH  TYR A  67      38.111   9.019   4.034  1.00 37.65           O  
-ATOM    569  N   THR A  68      35.857   7.202  10.483  1.00  9.12           N  
-ATOM    570  CA  THR A  68      36.097   8.436  11.217  1.00  8.04           C  
-ATOM    571  C   THR A  68      37.293   8.231  12.141  1.00  8.22           C  
-ATOM    572  O   THR A  68      37.622   7.101  12.503  1.00  7.00           O  
-ATOM    573  CB  THR A  68      34.849   8.830  12.046  1.00  8.78           C  
-ATOM    574  OG1 THR A  68      34.943  10.206  12.435  1.00 11.70           O  
-ATOM    575  CG2 THR A  68      34.735   7.963  13.293  1.00 12.99           C  
-ATOM    576  N   GLU A  69      37.954   9.319  12.513  1.00  9.37           N  
-ATOM    577  CA  GLU A  69      39.107   9.212  13.398  1.00  5.46           C  
-ATOM    578  C   GLU A  69      38.702   8.777  14.803  1.00  7.38           C  
-ATOM    579  O   GLU A  69      37.624   9.126  15.289  1.00  9.98           O  
-ATOM    580  CB  GLU A  69      39.849  10.550  13.458  1.00 15.44           C  
-ATOM    581  CG  GLU A  69      41.022  10.556  14.420  1.00 13.15           C  
-ATOM    582  CD  GLU A  69      41.934  11.750  14.218  1.00 33.77           C  
-ATOM    583  OE1 GLU A  69      41.417  12.867  14.015  1.00 24.19           O  
-ATOM    584  OE2 GLU A  69      43.168  11.571  14.270  1.00 31.67           O  
-ATOM    585  N   PHE A  70      39.564   7.997  15.447  1.00 11.87           N  
-ATOM    586  CA  PHE A  70      39.300   7.533  16.802  1.00 11.80           C  
-ATOM    587  C   PHE A  70      40.604   7.244  17.539  1.00 11.59           C  
-ATOM    588  O   PHE A  70      41.674   7.211  16.933  1.00 10.86           O  
-ATOM    589  CB  PHE A  70      38.384   6.291  16.776  1.00 14.57           C  
-ATOM    590  CG  PHE A  70      39.082   4.990  16.438  1.00  5.27           C  
-ATOM    591  CD1 PHE A  70      40.043   4.921  15.431  1.00  5.75           C  
-ATOM    592  CD2 PHE A  70      38.730   3.817  17.103  1.00  6.50           C  
-ATOM    593  CE1 PHE A  70      40.641   3.696  15.093  1.00  4.61           C  
-ATOM    594  CE2 PHE A  70      39.319   2.590  16.773  1.00  7.89           C  
-ATOM    595  CZ  PHE A  70      40.276   2.530  15.767  1.00  7.33           C  
-ATOM    596  N   THR A  71      40.513   7.068  18.852  1.00 13.45           N  
-ATOM    597  CA  THR A  71      41.687   6.777  19.669  1.00 11.87           C  
-ATOM    598  C   THR A  71      41.351   5.581  20.549  1.00 13.46           C  
-ATOM    599  O   THR A  71      40.923   5.739  21.692  1.00 17.90           O  
-ATOM    600  CB  THR A  71      42.056   7.977  20.563  1.00 18.64           C  
-ATOM    601  OG1 THR A  71      42.242   9.141  19.748  1.00 21.59           O  
-ATOM    602  CG2 THR A  71      43.342   7.693  21.327  1.00 25.38           C  
-ATOM    603  N   PRO A  72      41.544   4.363  20.023  1.00 12.19           N  
-ATOM    604  CA  PRO A  72      41.255   3.130  20.755  1.00 12.94           C  
-ATOM    605  C   PRO A  72      42.208   2.816  21.902  1.00 20.09           C  
-ATOM    606  O   PRO A  72      43.391   3.158  21.861  1.00 19.67           O  
-ATOM    607  CB  PRO A  72      41.314   2.069  19.662  1.00 12.20           C  
-ATOM    608  CG  PRO A  72      42.415   2.578  18.790  1.00 13.35           C  
-ATOM    609  CD  PRO A  72      42.084   4.060  18.683  1.00 18.66           C  
-ATOM    610  N   THR A  73      41.666   2.170  22.927  1.00 21.27           N  
-ATOM    611  CA  THR A  73      42.434   1.750  24.093  1.00 27.62           C  
-ATOM    612  C   THR A  73      42.148   0.262  24.241  1.00 38.26           C  
-ATOM    613  O   THR A  73      41.091  -0.210  23.823  1.00 28.33           O  
-ATOM    614  CB  THR A  73      41.983   2.473  25.379  1.00 20.73           C  
-ATOM    615  OG1 THR A  73      40.606   2.175  25.639  1.00 31.75           O  
-ATOM    616  CG2 THR A  73      42.160   3.974  25.238  1.00 26.86           C  
-ATOM    617  N   GLU A  74      43.082  -0.473  24.831  1.00 34.10           N  
-ATOM    618  CA  GLU A  74      42.922  -1.912  25.011  1.00 45.54           C  
-ATOM    619  C   GLU A  74      41.686  -2.298  25.823  1.00 45.08           C  
-ATOM    620  O   GLU A  74      41.373  -3.482  25.952  1.00 57.55           O  
-ATOM    621  CB  GLU A  74      44.171  -2.500  25.677  1.00 43.01           C  
-ATOM    622  CG  GLU A  74      44.426  -2.007  27.098  1.00 49.19           C  
-ATOM    623  CD  GLU A  74      44.703  -0.516  27.167  1.00 49.95           C  
-ATOM    624  OE1 GLU A  74      45.670  -0.059  26.520  1.00 63.53           O  
-ATOM    625  OE2 GLU A  74      43.955   0.198  27.869  1.00 60.78           O  
-ATOM    626  N   LYS A  75      40.982  -1.307  26.362  1.00 30.90           N  
-ATOM    627  CA  LYS A  75      39.795  -1.574  27.172  1.00 30.29           C  
-ATOM    628  C   LYS A  75      38.474  -1.352  26.435  1.00 50.19           C  
-ATOM    629  O   LYS A  75      37.436  -1.870  26.850  1.00 39.37           O  
-ATOM    630  CB  LYS A  75      39.814  -0.708  28.435  1.00 47.27           C  
-ATOM    631  CG  LYS A  75      39.728   0.787  28.165  1.00 47.62           C  
-ATOM    632  CD  LYS A  75      39.702   1.585  29.459  1.00 51.59           C  
-ATOM    633  CE  LYS A  75      39.617   3.079  29.186  1.00 41.70           C  
-ATOM    634  NZ  LYS A  75      39.588   3.874  30.446  1.00 54.12           N  
-ATOM    635  N   ASP A  76      38.507  -0.581  25.353  1.00 19.66           N  
-ATOM    636  CA  ASP A  76      37.292  -0.309  24.590  1.00 21.26           C  
-ATOM    637  C   ASP A  76      37.075  -1.305  23.461  1.00 18.77           C  
-ATOM    638  O   ASP A  76      38.027  -1.836  22.889  1.00 28.57           O  
-ATOM    639  CB  ASP A  76      37.323   1.109  24.015  1.00 23.25           C  
-ATOM    640  CG  ASP A  76      37.270   2.177  25.091  1.00 24.64           C  
-ATOM    641  OD1 ASP A  76      36.329   2.148  25.911  1.00 38.03           O  
-ATOM    642  OD2 ASP A  76      38.166   3.046  25.117  1.00 36.63           O  
-ATOM    643  N   GLU A  77      35.809  -1.554  23.147  1.00 22.34           N  
-ATOM    644  CA  GLU A  77      35.452  -2.480  22.080  1.00 17.52           C  
-ATOM    645  C   GLU A  77      34.765  -1.695  20.969  1.00 13.60           C  
-ATOM    646  O   GLU A  77      33.863  -0.901  21.230  1.00 18.56           O  
-ATOM    647  CB  GLU A  77      34.505  -3.562  22.608  1.00 24.73           C  
-ATOM    648  CG  GLU A  77      33.188  -3.025  23.146  1.00 41.37           C  
-ATOM    649  CD  GLU A  77      32.224  -4.124  23.551  1.00 67.90           C  
-ATOM    650  OE1 GLU A  77      31.860  -4.948  22.684  1.00 63.37           O  
-ATOM    651  OE2 GLU A  77      31.828  -4.163  24.736  1.00 59.31           O  
-ATOM    652  N   TYR A  78      35.202  -1.911  19.734  1.00 13.98           N  
-ATOM    653  CA  TYR A  78      34.611  -1.212  18.601  1.00 14.03           C  
-ATOM    654  C   TYR A  78      33.980  -2.187  17.626  1.00 15.79           C  
-ATOM    655  O   TYR A  78      34.438  -3.320  17.481  1.00 11.27           O  
-ATOM    656  CB  TYR A  78      35.665  -0.366  17.888  1.00 10.14           C  
-ATOM    657  CG  TYR A  78      36.156   0.787  18.729  1.00 12.31           C  
-ATOM    658  CD1 TYR A  78      37.192   0.618  19.647  1.00 15.50           C  
-ATOM    659  CD2 TYR A  78      35.561   2.043  18.628  1.00  9.82           C  
-ATOM    660  CE1 TYR A  78      37.625   1.677  20.443  1.00 12.39           C  
-ATOM    661  CE2 TYR A  78      35.985   3.106  19.419  1.00 13.95           C  
-ATOM    662  CZ  TYR A  78      37.017   2.916  20.323  1.00 16.61           C  
-ATOM    663  OH  TYR A  78      37.437   3.968  21.102  1.00 19.97           O  
-ATOM    664  N   ALA A  79      32.924  -1.742  16.956  1.00 10.38           N  
-ATOM    665  CA  ALA A  79      32.236  -2.595  16.005  1.00  5.71           C  
-ATOM    666  C   ALA A  79      31.440  -1.783  15.000  1.00  9.11           C  
-ATOM    667  O   ALA A  79      31.340  -0.560  15.105  1.00  7.95           O  
-ATOM    668  CB  ALA A  79      31.306  -3.542  16.748  1.00 10.11           C  
-ATOM    669  N   CYS A  80      30.881  -2.481  14.020  1.00  3.01           N  
-ATOM    670  CA  CYS A  80      30.056  -1.850  13.002  1.00  2.94           C  
-ATOM    671  C   CYS A  80      28.720  -2.581  12.994  1.00  6.16           C  
-ATOM    672  O   CYS A  80      28.680  -3.811  12.967  1.00  6.81           O  
-ATOM    673  CB  CYS A  80      30.702  -1.966  11.623  1.00  2.30           C  
-ATOM    674  SG  CYS A  80      29.805  -1.039  10.340  1.00  9.99           S  
-ATOM    675  N   ARG A  81      27.633  -1.819  13.035  1.00  3.33           N  
-ATOM    676  CA  ARG A  81      26.292  -2.393  13.027  1.00  6.35           C  
-ATOM    677  C   ARG A  81      25.601  -2.023  11.725  1.00 11.37           C  
-ATOM    678  O   ARG A  81      25.519  -0.847  11.362  1.00  6.60           O  
-ATOM    679  CB  ARG A  81      25.477  -1.866  14.200  1.00  2.81           C  
-ATOM    680  CG  ARG A  81      24.107  -2.512  14.331  1.00  9.85           C  
-ATOM    681  CD  ARG A  81      23.419  -2.022  15.592  1.00 12.92           C  
-ATOM    682  NE  ARG A  81      23.234  -0.576  15.554  1.00 21.28           N  
-ATOM    683  CZ  ARG A  81      23.074   0.187  16.629  1.00 33.72           C  
-ATOM    684  NH1 ARG A  81      23.078  -0.359  17.838  1.00 17.37           N  
-ATOM    685  NH2 ARG A  81      22.913   1.496  16.493  1.00 14.03           N  
-ATOM    686  N   VAL A  82      25.092  -3.034  11.036  1.00  3.59           N  
-ATOM    687  CA  VAL A  82      24.436  -2.824   9.757  1.00  4.31           C  
-ATOM    688  C   VAL A  82      23.026  -3.392   9.720  1.00 12.60           C  
-ATOM    689  O   VAL A  82      22.788  -4.509  10.179  1.00  6.01           O  
-ATOM    690  CB  VAL A  82      25.254  -3.484   8.617  1.00  1.92           C  
-ATOM    691  CG1 VAL A  82      24.522  -3.352   7.296  1.00  1.00           C  
-ATOM    692  CG2 VAL A  82      26.634  -2.854   8.530  1.00  4.82           C  
-ATOM    693  N   ASN A  83      22.097  -2.604   9.182  1.00  3.06           N  
-ATOM    694  CA  ASN A  83      20.712  -3.034   9.019  1.00  1.00           C  
-ATOM    695  C   ASN A  83      20.419  -2.936   7.528  1.00  5.48           C  
-ATOM    696  O   ASN A  83      20.694  -1.912   6.900  1.00  5.43           O  
-ATOM    697  CB  ASN A  83      19.751  -2.138   9.802  1.00  9.45           C  
-ATOM    698  CG  ASN A  83      19.483  -2.655  11.201  1.00 42.89           C  
-ATOM    699  OD1 ASN A  83      19.012  -3.777  11.379  1.00 45.58           O  
-ATOM    700  ND2 ASN A  83      19.778  -1.836  12.201  1.00 48.44           N  
-ATOM    701  N   HIS A  84      19.878  -4.012   6.965  1.00  3.33           N  
-ATOM    702  CA  HIS A  84      19.564  -4.082   5.539  1.00  3.87           C  
-ATOM    703  C   HIS A  84      18.375  -5.029   5.406  1.00  1.75           C  
-ATOM    704  O   HIS A  84      18.128  -5.836   6.303  1.00  7.26           O  
-ATOM    705  CB  HIS A  84      20.782  -4.630   4.778  1.00  1.37           C  
-ATOM    706  CG  HIS A  84      20.676  -4.525   3.285  1.00  4.21           C  
-ATOM    707  ND1 HIS A  84      20.393  -5.608   2.480  1.00  4.42           N  
-ATOM    708  CD2 HIS A  84      20.835  -3.468   2.452  1.00  2.54           C  
-ATOM    709  CE1 HIS A  84      20.382  -5.223   1.215  1.00  2.70           C  
-ATOM    710  NE2 HIS A  84      20.648  -3.929   1.171  1.00  3.16           N  
-ATOM    711  N   VAL A  85      17.637  -4.944   4.301  1.00  5.23           N  
-ATOM    712  CA  VAL A  85      16.478  -5.815   4.138  1.00  3.12           C  
-ATOM    713  C   VAL A  85      16.842  -7.293   4.107  1.00  7.77           C  
-ATOM    714  O   VAL A  85      16.014  -8.145   4.443  1.00  5.95           O  
-ATOM    715  CB  VAL A  85      15.661  -5.467   2.866  1.00  4.75           C  
-ATOM    716  CG1 VAL A  85      15.035  -4.093   3.021  1.00 15.15           C  
-ATOM    717  CG2 VAL A  85      16.547  -5.518   1.633  1.00  4.93           C  
-ATOM    718  N   THR A  86      18.080  -7.594   3.726  1.00  2.64           N  
-ATOM    719  CA  THR A  86      18.546  -8.981   3.655  1.00  3.75           C  
-ATOM    720  C   THR A  86      18.923  -9.540   5.028  1.00  7.90           C  
-ATOM    721  O   THR A  86      19.169 -10.736   5.165  1.00  2.51           O  
-ATOM    722  CB  THR A  86      19.782  -9.119   2.732  1.00  7.67           C  
-ATOM    723  OG1 THR A  86      20.832  -8.260   3.204  1.00  4.86           O  
-ATOM    724  CG2 THR A  86      19.425  -8.742   1.291  1.00  6.02           C  
-ATOM    725  N   LEU A  87      18.972  -8.673   6.036  1.00  5.57           N  
-ATOM    726  CA  LEU A  87      19.329  -9.083   7.395  1.00  5.94           C  
-ATOM    727  C   LEU A  87      18.116  -8.985   8.314  1.00  9.44           C  
-ATOM    728  O   LEU A  87      17.663  -7.888   8.633  1.00 11.11           O  
-ATOM    729  CB  LEU A  87      20.454  -8.189   7.929  1.00  4.30           C  
-ATOM    730  CG  LEU A  87      21.739  -8.132   7.097  1.00  6.29           C  
-ATOM    731  CD1 LEU A  87      22.634  -6.997   7.587  1.00  6.37           C  
-ATOM    732  CD2 LEU A  87      22.459  -9.464   7.176  1.00  9.45           C  
-ATOM    733  N   SER A  88      17.595 -10.133   8.741  1.00  5.89           N  
-ATOM    734  CA  SER A  88      16.426 -10.159   9.616  1.00  5.64           C  
-ATOM    735  C   SER A  88      16.715  -9.458  10.939  1.00 10.12           C  
-ATOM    736  O   SER A  88      15.823  -8.872  11.551  1.00 12.66           O  
-ATOM    737  CB  SER A  88      15.980 -11.603   9.866  1.00  7.46           C  
-ATOM    738  OG  SER A  88      17.068 -12.416  10.262  1.00  9.86           O  
-ATOM    739  N   GLN A  89      17.967  -9.524  11.371  1.00  7.50           N  
-ATOM    740  CA  GLN A  89      18.398  -8.874  12.602  1.00  8.34           C  
-ATOM    741  C   GLN A  89      19.626  -8.051  12.233  1.00  5.65           C  
-ATOM    742  O   GLN A  89      20.384  -8.433  11.344  1.00  6.99           O  
-ATOM    743  CB  GLN A  89      18.775  -9.916  13.661  1.00 14.53           C  
-ATOM    744  CG  GLN A  89      17.632 -10.835  14.083  1.00 11.85           C  
-ATOM    745  CD  GLN A  89      16.431 -10.073  14.615  1.00 40.36           C  
-ATOM    746  OE1 GLN A  89      16.560  -9.231  15.503  1.00 39.09           O  
-ATOM    747  NE2 GLN A  89      15.252 -10.372  14.075  1.00 35.40           N  
-ATOM    748  N   PRO A  90      19.834  -6.903  12.897  1.00 10.49           N  
-ATOM    749  CA  PRO A  90      21.015  -6.109  12.549  1.00  7.73           C  
-ATOM    750  C   PRO A  90      22.282  -6.937  12.741  1.00  6.35           C  
-ATOM    751  O   PRO A  90      22.387  -7.721  13.687  1.00  9.51           O  
-ATOM    752  CB  PRO A  90      20.929  -4.920  13.507  1.00 15.01           C  
-ATOM    753  CG  PRO A  90      20.204  -5.489  14.694  1.00 28.25           C  
-ATOM    754  CD  PRO A  90      19.121  -6.316  14.044  1.00 16.04           C  
-ATOM    755  N   LYS A  91      23.233  -6.778  11.832  1.00  5.83           N  
-ATOM    756  CA  LYS A  91      24.476  -7.525  11.918  1.00  5.81           C  
-ATOM    757  C   LYS A  91      25.553  -6.669  12.558  1.00  9.45           C  
-ATOM    758  O   LYS A  91      25.778  -5.532  12.153  1.00  7.88           O  
-ATOM    759  CB  LYS A  91      24.930  -7.977  10.529  1.00  8.26           C  
-ATOM    760  CG  LYS A  91      26.185  -8.838  10.549  1.00 19.99           C  
-ATOM    761  CD  LYS A  91      26.545  -9.366   9.166  1.00 27.33           C  
-ATOM    762  CE  LYS A  91      25.486 -10.315   8.635  1.00 40.35           C  
-ATOM    763  NZ  LYS A  91      25.884 -10.908   7.325  1.00 47.17           N  
-ATOM    764  N   ILE A  92      26.206  -7.219  13.575  1.00  5.23           N  
-ATOM    765  CA  ILE A  92      27.266  -6.499  14.262  1.00  5.94           C  
-ATOM    766  C   ILE A  92      28.583  -7.217  14.034  1.00 10.29           C  
-ATOM    767  O   ILE A  92      28.731  -8.389  14.378  1.00 11.31           O  
-ATOM    768  CB  ILE A  92      26.996  -6.410  15.779  1.00  8.85           C  
-ATOM    769  CG1 ILE A  92      25.673  -5.683  16.028  1.00 11.75           C  
-ATOM    770  CG2 ILE A  92      28.142  -5.680  16.468  1.00 14.74           C  
-ATOM    771  CD1 ILE A  92      25.236  -5.667  17.474  1.00 16.55           C  
-ATOM    772  N   VAL A  93      29.531  -6.514  13.425  1.00  8.10           N  
-ATOM    773  CA  VAL A  93      30.845  -7.076  13.158  1.00  7.44           C  
-ATOM    774  C   VAL A  93      31.826  -6.307  14.021  1.00 13.19           C  
-ATOM    775  O   VAL A  93      31.963  -5.091  13.894  1.00  6.78           O  
-ATOM    776  CB  VAL A  93      31.237  -6.923  11.673  1.00  6.34           C  
-ATOM    777  CG1 VAL A  93      32.647  -7.449  11.446  1.00 11.20           C  
-ATOM    778  CG2 VAL A  93      30.241  -7.679  10.795  1.00 12.33           C  
-ATOM    779  N   LYS A  94      32.498  -7.020  14.915  1.00 14.66           N  
-ATOM    780  CA  LYS A  94      33.455  -6.389  15.808  1.00 11.67           C  
-ATOM    781  C   LYS A  94      34.761  -6.048  15.109  1.00 15.84           C  
-ATOM    782  O   LYS A  94      35.133  -6.661  14.104  1.00 14.92           O  
-ATOM    783  CB  LYS A  94      33.744  -7.306  17.002  1.00 20.51           C  
-ATOM    784  CG  LYS A  94      32.535  -7.596  17.871  1.00 26.19           C  
-ATOM    785  CD  LYS A  94      32.903  -8.495  19.042  1.00 41.19           C  
-ATOM    786  CE  LYS A  94      31.704  -8.752  19.940  1.00 47.27           C  
-ATOM    787  NZ  LYS A  94      32.056  -9.604  21.110  1.00 53.10           N  
-ATOM    788  N   TRP A  95      35.446  -5.043  15.639  1.00 12.29           N  
-ATOM    789  CA  TRP A  95      36.732  -4.642  15.104  1.00 13.40           C  
-ATOM    790  C   TRP A  95      37.762  -5.496  15.825  1.00 20.26           C  
-ATOM    791  O   TRP A  95      37.769  -5.566  17.056  1.00 27.16           O  
-ATOM    792  CB  TRP A  95      37.002  -3.162  15.393  1.00 15.49           C  
-ATOM    793  CG  TRP A  95      38.421  -2.749  15.145  1.00 11.27           C  
-ATOM    794  CD1 TRP A  95      39.126  -2.884  13.984  1.00 15.26           C  
-ATOM    795  CD2 TRP A  95      39.310  -2.132  16.086  1.00 14.99           C  
-ATOM    796  NE1 TRP A  95      40.399  -2.390  14.142  1.00 21.95           N  
-ATOM    797  CE2 TRP A  95      40.539  -1.922  15.423  1.00 14.68           C  
-ATOM    798  CE3 TRP A  95      39.186  -1.735  17.425  1.00 20.80           C  
-ATOM    799  CZ2 TRP A  95      41.640  -1.332  16.053  1.00 17.71           C  
-ATOM    800  CZ3 TRP A  95      40.283  -1.147  18.053  1.00 20.40           C  
-ATOM    801  CH2 TRP A  95      41.493  -0.953  17.364  1.00 12.57           C  
-ATOM    802  N   ASP A  96      38.614  -6.161  15.056  1.00 19.31           N  
-ATOM    803  CA  ASP A  96      39.659  -6.994  15.633  1.00 38.22           C  
-ATOM    804  C   ASP A  96      40.954  -6.186  15.715  1.00 41.70           C  
-ATOM    805  O   ASP A  96      41.881  -6.473  14.927  1.00 61.54           O  
-ATOM    806  CB  ASP A  96      39.880  -8.243  14.780  1.00 35.17           C  
-ATOM    807  CG  ASP A  96      40.806  -9.240  15.444  1.00 45.90           C  
-ATOM    808  OD1 ASP A  96      41.919  -8.840  15.843  1.00 33.75           O  
-ATOM    809  OD2 ASP A  96      40.421 -10.422  15.568  1.00 45.64           O  
-TER     810      ASP A  96                                                      
-HETATM  811 NA    NA A 100      16.750  -5.880   8.209  1.00 15.25          NA  
-HETATM  812  O   HOH A 101      27.570   5.718  13.490  1.00  8.12           O  
-HETATM  813  O   HOH A 102      32.347   3.959  -1.793  1.00 10.51           O  
-HETATM  814  O   HOH A 103      42.468   0.333   3.154  1.00 11.57           O  
-HETATM  815  O   HOH A 104      17.601  -2.451   2.829  1.00  8.71           O  
-HETATM  816  O   HOH A 105      33.179  -5.549   2.885  1.00  6.83           O  
-HETATM  817  O   HOH A 106      14.609  -6.255  -1.884  1.00 10.37           O  
-HETATM  818  O   HOH A 107      23.081   0.472  12.523  1.00 12.98           O  
-HETATM  819  O   HOH A 108      21.490 -12.319   4.822  1.00 11.69           O  
-HETATM  820  O   HOH A 109      21.395   4.660  13.135  1.00 20.47           O  
-HETATM  821  O   HOH A 110      25.401  -9.832  14.751  1.00 15.91           O  
-HETATM  822  O   HOH A 111      39.991   1.644   3.370  1.00 13.53           O  
-HETATM  823  O   HOH A 112      19.068 -12.332   7.479  1.00 14.01           O  
-HETATM  824  O   HOH A 113      40.222   3.908   4.778  1.00 15.93           O  
-HETATM  825  O   HOH A 114      36.048  -7.258   9.945  1.00 14.12           O  
-HETATM  826  O   HOH A 115      35.826  11.006  14.744  1.00 18.68           O  
-HETATM  827  O   HOH A 116      31.011  -1.745  20.387  1.00 18.41           O  
-HETATM  828  O   HOH A 117      43.587   9.292  16.111  1.00 10.88           O  
-HETATM  829  O   HOH A 118      30.334 -10.080   6.018  1.00 16.94           O  
-HETATM  830  O   HOH A 119      28.883   1.572  27.253  1.00 29.66           O  
-HETATM  831  O   HOH A 120      33.766  10.336  16.272  1.00 16.67           O  
-HETATM  832  O   HOH A 121      50.955   5.653  14.539  1.00 17.03           O  
-HETATM  833  O   HOH A 122      26.881   0.787 -13.651  1.00 20.86           O  
-HETATM  834  O   HOH A 123      15.888  -3.791   7.376  1.00 11.91           O  
-HETATM  835  O   HOH A 124      19.819  -0.406  -8.460  1.00 10.92           O  
-HETATM  836  O   HOH A 125      37.751   6.451  20.183  1.00 16.41           O  
-HETATM  837  O   HOH A 126      34.269   2.202  -1.178  1.00 20.31           O  
-HETATM  838  O   HOH A 127      19.996 -14.562   4.862  1.00  8.01           O  
-HETATM  839  O   HOH A 128      31.157  10.896  -0.579  1.00 25.57           O  
-HETATM  840  O   HOH A 129      14.565  -0.222  -1.948  1.00 18.80           O  
-HETATM  841  O   HOH A 130      36.470  -3.957  -3.050  1.00 29.72           O  
-HETATM  842  O   HOH A 131      19.538 -12.500  11.216  1.00 32.11           O  
-HETATM  843  O   HOH A 132      32.004   7.777  -3.502  1.00 16.84           O  
-HETATM  844  O   HOH A 133      29.484  10.108  -3.934  1.00 22.54           O  
-HETATM  845  O   HOH A 134      16.375  -5.097  -7.770  1.00 17.93           O  
-HETATM  846  O   HOH A 135      45.422   5.168  17.896  1.00 16.14           O  
-HETATM  847  O   HOH A 136      32.649 -10.068  14.698  1.00 19.22           O  
-HETATM  848  O   HOH A 137      29.286  -9.516  16.775  1.00 35.36           O  
-HETATM  849  O   HOH A 138      15.083  -7.279   7.213  1.00 16.86           O  
-HETATM  850  O   HOH A 139      22.162 -10.383  11.088  1.00 22.87           O  
-HETATM  851  O   HOH A 140      28.815   9.376  -0.939  1.00 24.32           O  
-HETATM  852  O   HOH A 141      15.320  -6.331  10.480  1.00 26.51           O  
-HETATM  853  O   HOH A 142      36.311  -6.684   0.169  1.00 26.80           O  
-HETATM  854  O   HOH A 143      14.799  -6.990  13.091  1.00 33.24           O  
-HETATM  855  O   HOH A 144      50.529   3.062  15.371  1.00 28.25           O  
-HETATM  856  O   HOH A 145      35.191   6.733  19.243  1.00 20.64           O  
-HETATM  857  O   HOH A 146      23.225  -2.888  18.867  1.00 25.34           O  
-HETATM  858  O   HOH A 147      22.940 -10.590  13.837  1.00 28.02           O  
-HETATM  859  O   HOH A 148      35.179   8.202  17.073  1.00 27.22           O  
-HETATM  860  O   HOH A 149      37.316  -3.828  19.446  1.00 15.87           O  
-HETATM  861  O   HOH A 150      17.370   0.139   9.238  1.00 20.64           O  
-HETATM  862  O   HOH A 151      15.745  -5.280  -4.415  1.00 20.45           O  
-HETATM  863  O   HOH A 152      21.603 -12.254   9.269  1.00 39.10           O  
-HETATM  864  O   HOH A 153      31.512  -5.149  -9.681  1.00 21.30           O  
-HETATM  865  O   HOH A 154      23.353 -12.930   6.767  1.00 16.78           O  
-HETATM  866  O   HOH A 155      38.981   4.672  23.177  1.00 31.98           O  
-HETATM  867  O   HOH A 156      30.741   4.766  24.022  1.00 25.76           O  
-HETATM  868  O   HOH A 157      47.348   0.711  15.003  1.00 31.26           O  
-HETATM  869  O   HOH A 158      40.859   5.556   6.768  1.00 26.22           O  
-HETATM  870  O   HOH A 159      24.920  -6.644  -5.622  1.00 28.49           O  
-HETATM  871  O   HOH A 160      42.689  -3.341  11.282  1.00 13.20           O  
-HETATM  872  O   HOH A 161      43.450  -4.282   8.872  1.00 16.03           O  
-HETATM  873  O   HOH A 162      41.366  -5.599  12.248  1.00 28.32           O  
-HETATM  874  O   HOH A 163      37.539  11.948  11.093  1.00 16.78           O  
-HETATM  875  O   HOH A 164      30.470  11.076  18.503  1.00 24.84           O  
-HETATM  876  O   HOH A 165      38.656  -6.463   7.908  1.00 24.11           O  
-HETATM  877  O   HOH A 166      22.859   7.860  18.955  1.00 27.98           O  
-HETATM  878  O   HOH A 167      19.483  -1.627  15.208  1.00 19.63           O  
-HETATM  879  O   HOH A 168      34.233  -9.382   8.181  1.00 21.53           O  
-HETATM  880  O   HOH A 169      28.970   9.577  20.204  1.00 24.25           O  
-HETATM  881  O   HOH A 170      25.090  -2.159 -14.529  1.00 20.05           O  
-HETATM  882  O   HOH A 171      53.044  11.300   9.946  1.00 28.11           O  
-HETATM  883  O   HOH A 172      23.760   0.694  20.314  1.00 23.87           O  
-HETATM  884  O   HOH A 173      36.689   3.227  -0.745  1.00 25.94           O  
-HETATM  885  O   HOH A 174      13.143  -5.401 -10.333  1.00 26.51           O  
-HETATM  886  O   HOH A 175      25.428  -8.920   5.666  1.00 22.87           O  
-HETATM  887  O   HOH A 176      37.854   0.125   0.233  0.50 18.09           O  
-HETATM  888  O   HOH A 177      51.471  12.069  12.709  1.00 32.91           O  
-HETATM  889  O   HOH A 178      38.418  -6.752  12.554  1.00 25.99           O  
-HETATM  890  O   HOH A 179      15.106  -1.805   0.979  1.00 15.92           O  
-HETATM  891  O   HOH A 180      13.640  -4.196  -0.586  1.00 21.29           O  
-HETATM  892  O   HOH A 181      31.574  11.766   3.560  1.00 27.86           O  
-HETATM  893  O   HOH A 182      18.112  -0.216   6.606  1.00 29.48           O  
-HETATM  894  O   HOH A 183      45.311   1.241  12.154  1.00 17.03           O  
-HETATM  895  O   HOH A 184      27.210   7.357  23.936  1.00 29.09           O  
-HETATM  896  O   HOH A 185      15.746  -4.442  12.629  1.00 28.14           O  
-HETATM  897  O   HOH A 186      44.818   0.360  15.680  1.00 20.79           O  
-HETATM  898  O   HOH A 187      45.295   8.001  17.691  1.00 36.02           O  
-HETATM  899  O   HOH A 188      12.926   3.195   0.724  1.00 24.33           O  
-HETATM  900  O   HOH A 189      16.405  -1.555   5.134  1.00 29.40           O  
-HETATM  901  O   HOH A 190      37.111   9.954  18.786  1.00 34.22           O  
-HETATM  902  O   HOH A 191      34.359  11.528   2.727  1.00 40.57           O  
-HETATM  903  O   HOH A 192      42.172  -5.220   6.490  1.00 21.00           O  
-HETATM  904  O   HOH A 193      32.443   4.036  26.249  1.00 42.07           O  
-HETATM  905  O   HOH A 194      28.949 -10.732  12.970  1.00 34.78           O  
-HETATM  906  O   HOH A 195      21.600  -4.764  17.572  1.00 35.35           O  
-HETATM  907  O   HOH A 196      15.985  -7.726 -11.734  1.00 21.50           O  
-HETATM  908  O   HOH A 197      26.970  -1.815  25.673  1.00 32.86           O  
-HETATM  909  O   HOH A 198      22.124  -7.793  16.334  1.00 25.24           O  
-HETATM  910  O   HOH A 199      25.284   6.901  21.278  1.00 27.03           O  
-HETATM  911  O   HOH A 200      26.957   3.158  28.081  1.00 29.22           O  
-HETATM  912  O   HOH A 201      28.369  11.465   2.295  1.00 35.05           O  
-HETATM  913  O   HOH A 202      31.934  -6.634  -5.393  1.00 27.66           O  
-HETATM  914  O   HOH A 203      18.470  -5.133   9.301  1.00 17.27           O  
-CONECT  211  674                                                                
-CONECT  674  211                                                                
-CONECT  704  811                                                                
-CONECT  728  811                                                                
-CONECT  811  704  728  834  849                                                 
-CONECT  811  852  914                                                           
-CONECT  834  811                                                                
-CONECT  849  811                                                                
-CONECT  852  811                                                                
-CONECT  914  811                                                                
-MASTER      266    0    1    1    8    0    2    6  913    1   10    8          
-END                                                                             
+HEADER    IMMUNE SYSTEM                           09-APR-02   1LDS
+TITLE     CRYSTAL STRUCTURE OF MONOMERIC HUMAN BETA-2-MICROGLOBULIN
+COMPND    MOL_ID: 1;
+COMPND   2 MOLECULE: BETA-2-MICROGLOBULIN;
+COMPND   3 CHAIN: A;
+COMPND   4 ENGINEERED: YES
+SOURCE    MOL_ID: 1;
+SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
+SOURCE   3 ORGANISM_COMMON: HUMAN;
+SOURCE   4 ORGANISM_TAXID: 9606;
+SOURCE   5 GENE: B2M;
+SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
+SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;
+SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21DE3;
+SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
+SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET23A;
+SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PINKWT
+KEYWDS    IMMUNOGLOBULIN CONSTANT DOMAIN, IMMUNE SYSTEM
+EXPDTA    X-RAY DIFFRACTION
+AUTHOR    C.H.TRINH,D.P.SMITH,A.P.KALVERDA,S.E.V.PHILLIPS,S.E.RADFORD
+REVDAT   3   24-FEB-09 1LDS    1       VERSN
+REVDAT   2   01-APR-03 1LDS    1       JRNL
+REVDAT   1   31-JUL-02 1LDS    0
+JRNL        AUTH   C.H.TRINH,D.P.SMITH,A.P.KALVERDA,S.E.PHILLIPS,
+JRNL        AUTH 2 S.E.RADFORD
+JRNL        TITL   CRYSTAL STRUCTURE OF MONOMERIC HUMAN
+JRNL        TITL 2 BETA-2-MICROGLOBULIN REVEALS CLUES TO ITS
+JRNL        TITL 3 AMYLOIDOGENIC PROPERTIES.
+JRNL        REF    PROC.NATL.ACAD.SCI.USA        V.  99  9771 2002
+JRNL        REFN                   ISSN 0027-8424
+JRNL        PMID   12119416
+JRNL        DOI    10.1073/PNAS.152337399
+REMARK   1
+REMARK   2
+REMARK   2 RESOLUTION.    1.80 ANGSTROMS.
+REMARK   3
+REMARK   3 REFINEMENT.
+REMARK   3   PROGRAM     : CNS 1.0
+REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-
+REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,
+REMARK   3               : READ,RICE,SIMONSON,WARREN
+REMARK   3
+REMARK   3  REFINEMENT TARGET : ENGH & HUBER
+REMARK   3
+REMARK   3  DATA USED IN REFINEMENT.
+REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80
+REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 26.70
+REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000
+REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL
+REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL
+REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 96.9
+REMARK   3   NUMBER OF REFLECTIONS             : 9565
+REMARK   3
+REMARK   3  FIT TO DATA USED IN REFINEMENT.
+REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT
+REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM
+REMARK   3   R VALUE            (WORKING SET) : 0.187
+REMARK   3   FREE R VALUE                     : 0.233
+REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL
+REMARK   3   FREE R VALUE TEST SET COUNT      : 498
+REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL
+REMARK   3
+REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.
+REMARK   3   TOTAL NUMBER OF BINS USED           : NULL
+REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.80
+REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.87
+REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL
+REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL
+REMARK   3   BIN R VALUE           (WORKING SET) : 0.2100
+REMARK   3   BIN FREE R VALUE                    : 0.2350
+REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL
+REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 51
+REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL
+REMARK   3
+REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
+REMARK   3   PROTEIN ATOMS            : 809
+REMARK   3   NUCLEIC ACID ATOMS       : 0
+REMARK   3   HETEROGEN ATOMS          : 1
+REMARK   3   SOLVENT ATOMS            : 103
+REMARK   3
+REMARK   3  B VALUES.
+REMARK   3   FROM WILSON PLOT           (A**2) : 10.28
+REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL
+REMARK   3   OVERALL ANISOTROPIC B VALUE.
+REMARK   3    B11 (A**2) : 2.12500
+REMARK   3    B22 (A**2) : -2.09500
+REMARK   3    B33 (A**2) : -0.03000
+REMARK   3    B12 (A**2) : 0.00000
+REMARK   3    B13 (A**2) : -0.01700
+REMARK   3    B23 (A**2) : 0.00000
+REMARK   3
+REMARK   3  ESTIMATED COORDINATE ERROR.
+REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.18
+REMARK   3   ESD FROM SIGMAA              (A) : 0.23
+REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00
+REMARK   3
+REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
+REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.06
+REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.11
+REMARK   3
+REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.
+REMARK   3   BOND LENGTHS                 (A) : 0.005
+REMARK   3   BOND ANGLES            (DEGREES) : 1.45
+REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 26.42
+REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.61
+REMARK   3
+REMARK   3  ISOTROPIC THERMAL MODEL : ANISOTROPIC
+REMARK   3
+REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA
+REMARK   3   MAIN-CHAIN BOND              (A**2) : 4.827 ; NULL
+REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 5.479 ; NULL
+REMARK   3   SIDE-CHAIN BOND              (A**2) : 7.266 ; NULL
+REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 9.501 ; NULL
+REMARK   3
+REMARK   3  BULK SOLVENT MODELING.
+REMARK   3   METHOD USED : NULL
+REMARK   3   KSOL        : NULL
+REMARK   3   BSOL        : NULL
+REMARK   3
+REMARK   3  NCS MODEL : NULL
+REMARK   3
+REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT
+REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL
+REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL
+REMARK   3
+REMARK   3  PARAMETER FILE  1  : NULL
+REMARK   3  TOPOLOGY FILE  1   : NULL
+REMARK   3
+REMARK   3  OTHER REFINEMENT REMARKS: MAXIMUM LIKELIHOOD TARGET USING
+REMARK   3  AMPLITUDES AS IMPLEMENTED IN CNS
+REMARK   4
+REMARK   4 1LDS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
+REMARK 100
+REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-APR-02.
+REMARK 100 THE RCSB ID CODE IS RCSB015863.
+REMARK 200
+REMARK 200 EXPERIMENTAL DETAILS
+REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION
+REMARK 200  DATE OF DATA COLLECTION        : 25-JUN-01
+REMARK 200  TEMPERATURE           (KELVIN) : 100
+REMARK 200  PH                             : 5.7
+REMARK 200  NUMBER OF CRYSTALS USED        : 1
+REMARK 200
+REMARK 200  SYNCHROTRON              (Y/N) : Y
+REMARK 200  RADIATION SOURCE               : SRS
+REMARK 200  BEAMLINE                       : PX14.2
+REMARK 200  X-RAY GENERATOR MODEL          : NULL
+REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M
+REMARK 200  WAVELENGTH OR RANGE        (A) : 0.979
+REMARK 200  MONOCHROMATOR                  : SI (111)
+REMARK 200  OPTICS                         : NULL
+REMARK 200
+REMARK 200  DETECTOR TYPE                  : CCD
+REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 4
+REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM
+REMARK 200  DATA SCALING SOFTWARE          : CCP4 (SCALA)
+REMARK 200
+REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 9604
+REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.800
+REMARK 200  RESOLUTION RANGE LOW       (A) : 26.700
+REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000
+REMARK 200
+REMARK 200 OVERALL.
+REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.9
+REMARK 200  DATA REDUNDANCY                : 3.700
+REMARK 200  R MERGE                    (I) : 0.04100
+REMARK 200  R SYM                      (I) : 0.03500
+REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 15.8000
+REMARK 200
+REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
+REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80
+REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.90
+REMARK 200  COMPLETENESS FOR SHELL     (%) : 90.6
+REMARK 200  DATA REDUNDANCY IN SHELL       : 3.40
+REMARK 200  R MERGE FOR SHELL          (I) : 0.07300
+REMARK 200  R SYM FOR SHELL            (I) : 0.06200
+REMARK 200  <I/SIGMA(I)> FOR SHELL         : 9.600
+REMARK 200
+REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
+REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
+REMARK 200 SOFTWARE USED: AMORE
+REMARK 200 STARTING MODEL: PDB ENTRY 1DUZ
+REMARK 200
+REMARK 200 REMARK: NULL
+REMARK 280
+REMARK 280 CRYSTAL
+REMARK 280 SOLVENT CONTENT, VS   (%): 44.20
+REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20
+REMARK 280
+REMARK 280 CRYSTALLIZATION CONDITIONS: 4-8% (W/V) PEG4000, 20%
+REMARK 280  ISOPROPANOL, 100MM SODIUM CITRATE, PH 5.7, VAPOR DIFFUSION,
+REMARK 280  SITTING DROP, TEMPERATURE 289K
+REMARK 290
+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
+REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1
+REMARK 290
+REMARK 290      SYMOP   SYMMETRY
+REMARK 290     NNNMMM   OPERATOR
+REMARK 290       1555   X,Y,Z
+REMARK 290       2555   -X,Y,-Z
+REMARK 290       3555   X+1/2,Y+1/2,Z
+REMARK 290       4555   -X+1/2,Y+1/2,-Z
+REMARK 290
+REMARK 290     WHERE NNN -> OPERATOR NUMBER
+REMARK 290           MMM -> TRANSLATION VECTOR
+REMARK 290
+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
+REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
+REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
+REMARK 290 RELATED MOLECULES.
+REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000
+REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000
+REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000
+REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000
+REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000        0.00000
+REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000
+REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000       38.71250
+REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       14.54550
+REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000
+REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       38.71250
+REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       14.54550
+REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000
+REMARK 290
+REMARK 290 REMARK: NULL
+REMARK 300
+REMARK 300 BIOMOLECULE: 1
+REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
+REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
+REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
+REMARK 300 BURIED SURFACE AREA.
+REMARK 350
+REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
+REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
+REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
+REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND
+REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
+REMARK 350
+REMARK 350 BIOMOLECULE: 1
+REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
+REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
+REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000
+REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000
+REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000
+REMARK 465
+REMARK 465 MISSING RESIDUES
+REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
+REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
+REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
+REMARK 465
+REMARK 465   M RES C SSSEQI
+REMARK 465     ARG A    97
+REMARK 465     ASP A    98
+REMARK 465     MET A    99
+REMARK 500
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
+REMARK 500 SUBTOPIC: TORSION ANGLES
+REMARK 500
+REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
+REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
+REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
+REMARK 500
+REMARK 500 STANDARD TABLE:
+REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
+REMARK 500
+REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
+REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
+REMARK 500
+REMARK 500  M RES CSSEQI        PSI       PHI
+REMARK 500    ASN A  17       69.07   -150.48
+REMARK 500    SER A  57      -85.61   -103.73
+REMARK 500    GLU A  74       -5.78    -58.74
+REMARK 500
+REMARK 500 REMARK: NULL
+REMARK 620
+REMARK 620 METAL COORDINATION
+REMARK 620  (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
+REMARK 620  SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
+REMARK 620
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
+REMARK 620                              NA A 100  NA
+REMARK 620 N RES CSSEQI ATOM
+REMARK 620 1 HIS A  84   O
+REMARK 620 2 LEU A  87   O    86.1
+REMARK 620 3 HOH A 138   O    94.7  80.7
+REMARK 620 4 HOH A 123   O    85.0 170.4  96.5
+REMARK 620 5 HOH A 203   O    86.4  83.7 164.3  99.2
+REMARK 620 6 HOH A 141   O   170.8  84.7  83.4 104.1  93.1
+REMARK 620 N                    1     2     3     4     5
+REMARK 800
+REMARK 800 SITE
+REMARK 800 SITE_IDENTIFIER: AC1
+REMARK 800 EVIDENCE_CODE: SOFTWARE
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 100
+REMARK 900
+REMARK 900 RELATED ENTRIES
+REMARK 900 RELATED ID: 1DUZ   RELATED DB: PDB
+REMARK 900 HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) IN
+REMARK 900 COMPLEX WITH A NONAMERIC PEPTIDE FROM HTLV-1 TAX PROTEIN
+DBREF  1LDS A    1    99  UNP    P61769   B2MG_HUMAN      21    119
+SEQADV 1LDS MET A    0  UNP  P61769              INITIATING MET
+SEQRES   1 A  100  MET ILE GLN ARG THR PRO LYS ILE GLN VAL TYR SER ARG
+SEQRES   2 A  100  HIS PRO ALA GLU ASN GLY LYS SER ASN PHE LEU ASN CYS
+SEQRES   3 A  100  TYR VAL SER GLY PHE HIS PRO SER ASP ILE GLU VAL ASP
+SEQRES   4 A  100  LEU LEU LYS ASN GLY GLU ARG ILE GLU LYS VAL GLU HIS
+SEQRES   5 A  100  SER ASP LEU SER PHE SER LYS ASP TRP SER PHE TYR LEU
+SEQRES   6 A  100  LEU TYR TYR THR GLU PHE THR PRO THR GLU LYS ASP GLU
+SEQRES   7 A  100  TYR ALA CYS ARG VAL ASN HIS VAL THR LEU SER GLN PRO
+SEQRES   8 A  100  LYS ILE VAL LYS TRP ASP ARG ASP MET
+HET     NA  A 100       1
+HETNAM      NA SODIUM ION
+FORMUL   2   NA    NA 1+
+FORMUL   3  HOH   *103(H2 O)
+HELIX    1   1 PRO A   14  GLY A   18  5                                   5
+SHEET    1   A 4 LYS A   6  ARG A  12  0
+SHEET    2   A 4 PHE A  22  PHE A  30 -1  O  ASN A  24   N  TYR A  10
+SHEET    3   A 4 PHE A  62  GLU A  69 -1  O  LEU A  64   N  VAL A  27
+SHEET    4   A 4 HIS A  51  PHE A  56 -1  N  SER A  55   O  TYR A  63
+SHEET    1   B 4 GLU A  44  ARG A  45  0
+SHEET    2   B 4 GLU A  36  LYS A  41 -1  N  LYS A  41   O  GLU A  44
+SHEET    3   B 4 TYR A  78  ASN A  83 -1  O  ALA A  79   N  LEU A  40
+SHEET    4   B 4 LYS A  91  LYS A  94 -1  O  LYS A  91   N  VAL A  82
+SSBOND   1 CYS A   25    CYS A   80                          1555   1555  2.03
+LINK        NA    NA A 100                 O   HIS A  84     1555   1555  2.35
+LINK        NA    NA A 100                 O   LEU A  87     1555   1555  2.25
+LINK        NA    NA A 100                 O   HOH A 138     1555   1555  2.39
+LINK        NA    NA A 100                 O   HOH A 123     1555   1555  2.41
+LINK        NA    NA A 100                 O   HOH A 203     1555   1555  2.17
+LINK        NA    NA A 100                 O   HOH A 141     1555   1555  2.72
+CISPEP   1 HIS A   31    PRO A   32          0         0.09
+SITE     1 AC1  7 ALA A  15  HIS A  84  LEU A  87  HOH A 123
+SITE     2 AC1  7 HOH A 138  HOH A 141  HOH A 203
+CRYST1   77.425   29.091   54.644  90.00 121.64  90.00 C 1 2 1       4
+ORIGX1      1.000000  0.000000  0.000000        0.00000
+ORIGX2      0.000000  1.000000  0.000000        0.00000
+ORIGX3      0.000000  0.000000  1.000000        0.00000
+SCALE1      0.012916  0.000000  0.007958        0.00000
+SCALE2      0.000000  0.034375  0.000000        0.00000
+SCALE3      0.000000  0.000000  0.021495        0.00000
+ATOM      1  N   MET A   0      14.003  -8.253 -10.050  1.00  5.09           N
+ATOM      2  CA  MET A   0      14.650  -7.671  -8.841  1.00  6.67           C
+ATOM      3  C   MET A   0      15.800  -8.546  -8.377  1.00 12.68           C
+ATOM      4  O   MET A   0      15.891  -9.719  -8.736  1.00  5.87           O
+ATOM      5  CB  MET A   0      13.634  -7.534  -7.696  1.00 11.41           C
+ATOM      6  CG  MET A   0      13.079  -8.852  -7.135  1.00 11.30           C
+ATOM      7  SD  MET A   0      14.188  -9.791  -6.025  1.00 10.13           S
+ATOM      8  CE  MET A   0      13.958  -8.900  -4.484  1.00 14.90           C
+ATOM      9  N   ILE A   1      16.684  -7.962  -7.582  1.00  8.98           N
+ATOM     10  CA  ILE A   1      17.803  -8.707  -7.032  1.00  9.20           C
+ATOM     11  C   ILE A   1      18.180  -8.089  -5.696  1.00  7.90           C
+ATOM     12  O   ILE A   1      18.109  -6.873  -5.519  1.00  6.02           O
+ATOM     13  CB  ILE A   1      19.036  -8.681  -7.971  1.00  6.03           C
+ATOM     14  CG1 ILE A   1      20.099  -9.653  -7.452  1.00 11.88           C
+ATOM     15  CG2 ILE A   1      19.613  -7.275  -8.049  1.00  9.54           C
+ATOM     16  CD1 ILE A   1      21.271  -9.857  -8.397  1.00 18.94           C
+ATOM     17  N   GLN A   2      18.532  -8.932  -4.737  1.00  2.02           N
+ATOM     18  CA  GLN A   2      18.963  -8.432  -3.443  1.00  3.60           C
+ATOM     19  C   GLN A   2      20.179  -9.236  -3.028  1.00  6.70           C
+ATOM     20  O   GLN A   2      20.237 -10.455  -3.217  1.00  4.11           O
+ATOM     21  CB  GLN A   2      17.846  -8.511  -2.395  1.00  5.72           C
+ATOM     22  CG  GLN A   2      17.176  -9.856  -2.228  1.00  5.03           C
+ATOM     23  CD  GLN A   2      15.974  -9.762  -1.307  1.00 13.57           C
+ATOM     24  OE1 GLN A   2      15.234  -8.775  -1.339  1.00  9.05           O
+ATOM     25  NE2 GLN A   2      15.764 -10.788  -0.492  1.00  5.72           N
+ATOM     26  N   ARG A   3      21.168  -8.529  -2.498  1.00  4.85           N
+ATOM     27  CA  ARG A   3      22.415  -9.140  -2.074  1.00  4.56           C
+ATOM     28  C   ARG A   3      22.789  -8.617  -0.702  1.00  6.67           C
+ATOM     29  O   ARG A   3      22.768  -7.407  -0.464  1.00  4.84           O
+ATOM     30  CB  ARG A   3      23.525  -8.797  -3.068  1.00  2.94           C
+ATOM     31  CG  ARG A   3      23.373  -9.451  -4.433  1.00  9.10           C
+ATOM     32  CD  ARG A   3      23.927 -10.871  -4.411  1.00 25.83           C
+ATOM     33  NE  ARG A   3      23.755 -11.559  -5.688  1.00 34.70           N
+ATOM     34  CZ  ARG A   3      22.621 -12.126  -6.086  1.00 49.71           C
+ATOM     35  NH1 ARG A   3      21.551 -12.092  -5.304  1.00 17.27           N
+ATOM     36  NH2 ARG A   3      22.556 -12.728  -7.267  1.00 46.57           N
+ATOM     37  N   THR A   4      23.119  -9.532   0.200  1.00  2.21           N
+ATOM     38  CA  THR A   4      23.507  -9.154   1.550  1.00  5.05           C
+ATOM     39  C   THR A   4      24.901  -8.527   1.496  1.00  5.01           C
+ATOM     40  O   THR A   4      25.794  -9.018   0.804  1.00  3.01           O
+ATOM     41  CB  THR A   4      23.519 -10.381   2.494  1.00 14.23           C
+ATOM     42  OG1 THR A   4      23.796  -9.951   3.832  1.00 22.36           O
+ATOM     43  CG2 THR A   4      24.575 -11.382   2.063  1.00 27.74           C
+ATOM     44  N   PRO A   5      25.107  -7.426   2.225  1.00  1.97           N
+ATOM     45  CA  PRO A   5      26.426  -6.794   2.192  1.00  6.40           C
+ATOM     46  C   PRO A   5      27.532  -7.552   2.917  1.00  8.24           C
+ATOM     47  O   PRO A   5      27.284  -8.236   3.912  1.00  7.61           O
+ATOM     48  CB  PRO A   5      26.164  -5.432   2.834  1.00  8.26           C
+ATOM     49  CG  PRO A   5      25.080  -5.734   3.823  1.00 12.08           C
+ATOM     50  CD  PRO A   5      24.157  -6.629   3.023  1.00  6.41           C
+ATOM     51  N   LYS A   6      28.749  -7.445   2.392  1.00  6.93           N
+ATOM     52  CA  LYS A   6      29.902  -8.041   3.044  1.00  4.70           C
+ATOM     53  C   LYS A   6      30.295  -6.894   3.974  1.00  6.41           C
+ATOM     54  O   LYS A   6      30.212  -5.729   3.580  1.00  7.65           O
+ATOM     55  CB  LYS A   6      31.023  -8.312   2.043  1.00 12.00           C
+ATOM     56  CG  LYS A   6      32.255  -8.944   2.666  1.00 22.05           C
+ATOM     57  CD  LYS A   6      33.317  -9.239   1.620  1.00 32.03           C
+ATOM     58  CE  LYS A   6      34.503  -9.966   2.230  1.00 32.04           C
+ATOM     59  NZ  LYS A   6      35.533 -10.293   1.204  1.00 46.88           N
+ATOM     60  N   ILE A   7      30.706  -7.210   5.196  1.00  4.34           N
+ATOM     61  CA  ILE A   7      31.067  -6.173   6.162  1.00  1.88           C
+ATOM     62  C   ILE A   7      32.452  -6.416   6.753  1.00  5.24           C
+ATOM     63  O   ILE A   7      32.716  -7.476   7.317  1.00  6.69           O
+ATOM     64  CB  ILE A   7      30.034  -6.132   7.310  1.00  4.76           C
+ATOM     65  CG1 ILE A   7      28.628  -5.930   6.735  1.00  6.32           C
+ATOM     66  CG2 ILE A   7      30.381  -5.015   8.294  1.00 11.51           C
+ATOM     67  CD1 ILE A   7      27.509  -6.191   7.732  1.00  4.95           C
+ATOM     68  N   GLN A   8      33.334  -5.431   6.621  1.00  4.37           N
+ATOM     69  CA  GLN A   8      34.688  -5.549   7.149  1.00  5.13           C
+ATOM     70  C   GLN A   8      35.017  -4.327   7.994  1.00  7.32           C
+ATOM     71  O   GLN A   8      34.800  -3.189   7.571  1.00  5.46           O
+ATOM     72  CB  GLN A   8      35.688  -5.684   6.002  1.00  9.94           C
+ATOM     73  CG  GLN A   8      35.350  -6.823   5.048  1.00  8.18           C
+ATOM     74  CD  GLN A   8      36.251  -6.850   3.836  1.00 13.13           C
+ATOM     75  OE1 GLN A   8      37.250  -7.572   3.803  1.00 15.63           O
+ATOM     76  NE2 GLN A   8      35.913  -6.050   2.835  1.00  6.85           N
+ATOM     77  N   VAL A   9      35.537  -4.576   9.192  1.00  3.97           N
+ATOM     78  CA  VAL A   9      35.887  -3.508  10.125  1.00  4.60           C
+ATOM     79  C   VAL A   9      37.386  -3.557  10.386  1.00  6.40           C
+ATOM     80  O   VAL A   9      37.929  -4.588  10.779  1.00  7.54           O
+ATOM     81  CB  VAL A   9      35.115  -3.675  11.443  1.00  2.56           C
+ATOM     82  CG1 VAL A   9      35.305  -2.460  12.327  1.00  5.44           C
+ATOM     83  CG2 VAL A   9      33.637  -3.889  11.142  1.00 10.30           C
+ATOM     84  N   TYR A  10      38.053  -2.435  10.159  1.00  5.14           N
+ATOM     85  CA  TYR A  10      39.499  -2.369  10.334  1.00  6.13           C
+ATOM     86  C   TYR A  10      39.923  -0.945  10.651  1.00  4.18           C
+ATOM     87  O   TYR A  10      39.119  -0.019  10.580  1.00  4.17           O
+ATOM     88  CB  TYR A  10      40.196  -2.829   9.050  1.00  1.00           C
+ATOM     89  CG  TYR A  10      39.696  -2.114   7.808  1.00  6.60           C
+ATOM     90  CD1 TYR A  10      38.513  -2.507   7.183  1.00  8.01           C
+ATOM     91  CD2 TYR A  10      40.392  -1.029   7.275  1.00  6.17           C
+ATOM     92  CE1 TYR A  10      38.033  -1.838   6.056  1.00 12.92           C
+ATOM     93  CE2 TYR A  10      39.919  -0.350   6.147  1.00  9.78           C
+ATOM     94  CZ  TYR A  10      38.740  -0.763   5.544  1.00 15.25           C
+ATOM     95  OH  TYR A  10      38.271  -0.109   4.428  1.00  9.94           O
+ATOM     96  N   SER A  11      41.191  -0.775  11.007  1.00  7.39           N
+ATOM     97  CA  SER A  11      41.710   0.548  11.319  1.00  9.46           C
+ATOM     98  C   SER A  11      42.847   0.886  10.356  1.00  9.77           C
+ATOM     99  O   SER A  11      43.539  -0.007   9.861  1.00  6.83           O
+ATOM    100  CB  SER A  11      42.206   0.598  12.769  1.00  7.59           C
+ATOM    101  OG  SER A  11      43.264  -0.317  12.976  1.00  8.88           O
+ATOM    102  N   ARG A  12      43.023   2.176  10.085  1.00  4.95           N
+ATOM    103  CA  ARG A  12      44.072   2.645   9.183  1.00  6.18           C
+ATOM    104  C   ARG A  12      44.652   3.979   9.646  1.00  6.07           C
+ATOM    105  O   ARG A  12      43.930   4.838  10.150  1.00  6.60           O
+ATOM    106  CB  ARG A  12      43.513   2.826   7.767  1.00  5.71           C
+ATOM    107  CG  ARG A  12      43.024   1.551   7.100  1.00  4.47           C
+ATOM    108  CD  ARG A  12      44.174   0.731   6.543  1.00  6.11           C
+ATOM    109  NE  ARG A  12      43.696  -0.424   5.787  1.00  8.26           N
+ATOM    110  CZ  ARG A  12      43.437  -1.620   6.310  1.00  9.54           C
+ATOM    111  NH1 ARG A  12      43.610  -1.841   7.607  1.00  8.16           N
+ATOM    112  NH2 ARG A  12      43.002  -2.599   5.528  1.00 11.79           N
+ATOM    113  N   HIS A  13      45.958   4.136   9.454  1.00  4.04           N
+ATOM    114  CA  HIS A  13      46.677   5.359   9.801  1.00  6.70           C
+ATOM    115  C   HIS A  13      47.051   6.033   8.483  1.00  5.07           C
+ATOM    116  O   HIS A  13      47.717   5.425   7.647  1.00  7.55           O
+ATOM    117  CB  HIS A  13      47.987   5.041  10.533  1.00  2.75           C
+ATOM    118  CG  HIS A  13      47.809   4.340  11.842  1.00  6.07           C
+ATOM    119  ND1 HIS A  13      47.484   5.005  13.005  1.00 12.03           N
+ATOM    120  CD2 HIS A  13      47.945   3.036  12.180  1.00 10.08           C
+ATOM    121  CE1 HIS A  13      47.432   4.142  14.003  1.00 11.54           C
+ATOM    122  NE2 HIS A  13      47.707   2.940  13.529  1.00  7.25           N
+ATOM    123  N   PRO A  14      46.616   7.285   8.266  1.00  5.98           N
+ATOM    124  CA  PRO A  14      46.989   7.932   7.003  1.00 12.71           C
+ATOM    125  C   PRO A  14      48.507   8.111   7.000  1.00 11.60           C
+ATOM    126  O   PRO A  14      49.076   8.608   7.969  1.00 13.01           O
+ATOM    127  CB  PRO A  14      46.230   9.258   7.056  1.00 12.82           C
+ATOM    128  CG  PRO A  14      46.136   9.538   8.523  1.00 12.78           C
+ATOM    129  CD  PRO A  14      45.800   8.182   9.101  1.00 11.54           C
+ATOM    130  N   ALA A  15      49.160   7.695   5.918  1.00  5.64           N
+ATOM    131  CA  ALA A  15      50.612   7.782   5.826  1.00  5.70           C
+ATOM    132  C   ALA A  15      51.166   9.190   6.026  1.00  7.90           C
+ATOM    133  O   ALA A  15      52.269   9.351   6.539  1.00  7.39           O
+ATOM    134  CB  ALA A  15      51.084   7.227   4.487  1.00 12.69           C
+ATOM    135  N   GLU A  16      50.403  10.201   5.620  1.00 12.94           N
+ATOM    136  CA  GLU A  16      50.842  11.589   5.761  1.00 14.01           C
+ATOM    137  C   GLU A  16      50.694  12.107   7.191  1.00 23.94           C
+ATOM    138  O   GLU A  16      51.208  13.174   7.530  1.00 21.36           O
+ATOM    139  CB  GLU A  16      50.053  12.493   4.808  1.00 19.19           C
+ATOM    140  CG  GLU A  16      50.334  12.236   3.334  1.00 30.03           C
+ATOM    141  CD  GLU A  16      49.565  13.172   2.418  1.00 58.54           C
+ATOM    142  OE1 GLU A  16      49.778  13.111   1.188  1.00 59.53           O
+ATOM    143  OE2 GLU A  16      48.748  13.968   2.926  1.00 62.60           O
+ATOM    144  N   ASN A  17      49.993  11.347   8.026  1.00 15.27           N
+ATOM    145  CA  ASN A  17      49.772  11.728   9.418  1.00 18.99           C
+ATOM    146  C   ASN A  17      49.632  10.450  10.243  1.00 12.16           C
+ATOM    147  O   ASN A  17      48.553  10.133  10.743  1.00 15.09           O
+ATOM    148  CB  ASN A  17      48.501  12.572   9.524  1.00 19.27           C
+ATOM    149  CG  ASN A  17      48.343  13.228  10.881  1.00 38.87           C
+ATOM    150  OD1 ASN A  17      47.361  13.927  11.132  1.00 35.08           O
+ATOM    151  ND2 ASN A  17      49.310  13.009  11.764  1.00 35.04           N
+ATOM    152  N   GLY A  18      50.742   9.730  10.375  1.00 12.96           N
+ATOM    153  CA  GLY A  18      50.767   8.468  11.097  1.00 10.52           C
+ATOM    154  C   GLY A  18      50.160   8.392  12.484  1.00 21.05           C
+ATOM    155  O   GLY A  18      49.694   7.325  12.889  1.00 12.95           O
+ATOM    156  N   LYS A  19      50.167   9.499  13.221  1.00 12.38           N
+ATOM    157  CA  LYS A  19      49.608   9.504  14.571  1.00 19.16           C
+ATOM    158  C   LYS A  19      48.097   9.315  14.553  1.00 20.22           C
+ATOM    159  O   LYS A  19      47.524   8.747  15.483  1.00 22.51           O
+ATOM    160  CB  LYS A  19      49.950  10.812  15.291  1.00 16.70           C
+ATOM    161  CG  LYS A  19      51.433  11.009  15.556  1.00 31.22           C
+ATOM    162  CD  LYS A  19      51.684  12.324  16.282  1.00 59.25           C
+ATOM    163  CE  LYS A  19      53.162  12.530  16.572  1.00 64.99           C
+ATOM    164  NZ  LYS A  19      53.413  13.814  17.285  1.00 63.32           N
+ATOM    165  N   SER A  20      47.454   9.796  13.493  1.00 11.40           N
+ATOM    166  CA  SER A  20      46.008   9.672  13.359  1.00  6.65           C
+ATOM    167  C   SER A  20      45.618   8.230  13.051  1.00 10.43           C
+ATOM    168  O   SER A  20      46.307   7.539  12.302  1.00 11.75           O
+ATOM    169  CB  SER A  20      45.496  10.588  12.245  1.00 15.33           C
+ATOM    170  OG  SER A  20      45.703  11.948  12.577  1.00 36.09           O
+ATOM    171  N   ASN A  21      44.508   7.792  13.634  1.00  8.97           N
+ATOM    172  CA  ASN A  21      44.007   6.435  13.441  1.00  8.00           C
+ATOM    173  C   ASN A  21      42.528   6.542  13.082  1.00  8.67           C
+ATOM    174  O   ASN A  21      41.788   7.306  13.702  1.00  7.57           O
+ATOM    175  CB  ASN A  21      44.178   5.638  14.736  1.00 10.57           C
+ATOM    176  CG  ASN A  21      44.167   4.139  14.511  1.00 13.49           C
+ATOM    177  OD1 ASN A  21      43.973   3.660  13.391  1.00  8.43           O
+ATOM    178  ND2 ASN A  21      44.379   3.388  15.585  1.00  9.04           N
+ATOM    179  N   PHE A  22      42.101   5.783  12.078  1.00  6.04           N
+ATOM    180  CA  PHE A  22      40.711   5.815  11.643  1.00  7.04           C
+ATOM    181  C   PHE A  22      40.033   4.455  11.702  1.00  3.00           C
+ATOM    182  O   PHE A  22      40.598   3.445  11.279  1.00  5.44           O
+ATOM    183  CB  PHE A  22      40.612   6.355  10.212  1.00  7.91           C
+ATOM    184  CG  PHE A  22      40.952   7.815  10.088  1.00  8.60           C
+ATOM    185  CD1 PHE A  22      42.255   8.261  10.290  1.00 16.28           C
+ATOM    186  CD2 PHE A  22      39.964   8.745   9.779  1.00 10.20           C
+ATOM    187  CE1 PHE A  22      42.571   9.615  10.185  1.00 19.03           C
+ATOM    188  CE2 PHE A  22      40.268  10.101   9.673  1.00 12.26           C
+ATOM    189  CZ  PHE A  22      41.575  10.537   9.876  1.00 14.52           C
+ATOM    190  N   LEU A  23      38.817   4.445  12.236  1.00  6.48           N
+ATOM    191  CA  LEU A  23      38.024   3.226  12.335  1.00  4.75           C
+ATOM    192  C   LEU A  23      37.188   3.167  11.063  1.00  1.86           C
+ATOM    193  O   LEU A  23      36.453   4.108  10.754  1.00  4.54           O
+ATOM    194  CB  LEU A  23      37.112   3.280  13.561  1.00  6.12           C
+ATOM    195  CG  LEU A  23      36.174   2.085  13.756  1.00  4.68           C
+ATOM    196  CD1 LEU A  23      36.981   0.789  13.853  1.00  7.65           C
+ATOM    197  CD2 LEU A  23      35.346   2.305  15.015  1.00  5.62           C
+ATOM    198  N   ASN A  24      37.298   2.053  10.344  1.00  4.19           N
+ATOM    199  CA  ASN A  24      36.600   1.859   9.076  1.00  6.68           C
+ATOM    200  C   ASN A  24      35.612   0.704   9.050  1.00  3.97           C
+ATOM    201  O   ASN A  24      35.865  -0.359   9.619  1.00  5.77           O
+ATOM    202  CB  ASN A  24      37.612   1.589   7.956  1.00  7.29           C
+ATOM    203  CG  ASN A  24      38.534   2.758   7.692  1.00  8.10           C
+ATOM    204  OD1 ASN A  24      38.291   3.562   6.796  1.00 11.48           O
+ATOM    205  ND2 ASN A  24      39.603   2.856   8.472  1.00  9.88           N
+ATOM    206  N   CYS A  25      34.491   0.928   8.374  1.00  4.36           N
+ATOM    207  CA  CYS A  25      33.486  -0.105   8.179  1.00  3.54           C
+ATOM    208  C   CYS A  25      33.217  -0.101   6.684  1.00  7.24           C
+ATOM    209  O   CYS A  25      32.603   0.831   6.160  1.00  7.80           O
+ATOM    210  CB  CYS A  25      32.180   0.196   8.910  1.00  3.68           C
+ATOM    211  SG  CYS A  25      31.013  -1.193   8.719  1.00  9.03           S
+ATOM    212  N   TYR A  26      33.699  -1.129   5.996  1.00  2.86           N
+ATOM    213  CA  TYR A  26      33.500  -1.233   4.562  1.00  3.52           C
+ATOM    214  C   TYR A  26      32.368  -2.210   4.308  1.00  2.81           C
+ATOM    215  O   TYR A  26      32.488  -3.398   4.599  1.00  4.50           O
+ATOM    216  CB  TYR A  26      34.787  -1.713   3.887  1.00  2.87           C
+ATOM    217  CG  TYR A  26      34.710  -1.796   2.384  1.00  6.30           C
+ATOM    218  CD1 TYR A  26      34.150  -0.762   1.636  1.00  9.14           C
+ATOM    219  CD2 TYR A  26      35.235  -2.896   1.702  1.00  6.28           C
+ATOM    220  CE1 TYR A  26      34.115  -0.817   0.242  1.00 10.15           C
+ATOM    221  CE2 TYR A  26      35.206  -2.960   0.309  1.00 10.27           C
+ATOM    222  CZ  TYR A  26      34.647  -1.918  -0.412  1.00 16.27           C
+ATOM    223  OH  TYR A  26      34.630  -1.970  -1.787  1.00 11.35           O
+ATOM    224  N   VAL A  27      31.263  -1.690   3.778  1.00  2.53           N
+ATOM    225  CA  VAL A  27      30.069  -2.484   3.480  1.00  1.00           C
+ATOM    226  C   VAL A  27      30.013  -2.590   1.960  1.00  6.29           C
+ATOM    227  O   VAL A  27      29.782  -1.598   1.272  1.00  4.64           O
+ATOM    228  CB  VAL A  27      28.824  -1.771   4.032  1.00  3.85           C
+ATOM    229  CG1 VAL A  27      27.589  -2.643   3.861  1.00  5.98           C
+ATOM    230  CG2 VAL A  27      29.045  -1.442   5.499  1.00  6.42           C
+ATOM    231  N   SER A  28      30.202  -3.799   1.438  1.00  7.30           N
+ATOM    232  CA  SER A  28      30.285  -3.969  -0.006  1.00  5.33           C
+ATOM    233  C   SER A  28      29.359  -4.938  -0.723  1.00  6.31           C
+ATOM    234  O   SER A  28      28.902  -5.929  -0.154  1.00  5.47           O
+ATOM    235  CB  SER A  28      31.722  -4.352  -0.352  1.00  8.45           C
+ATOM    236  OG  SER A  28      32.078  -5.547   0.335  1.00  7.42           O
+ATOM    237  N   GLY A  29      29.131  -4.630  -1.999  1.00  4.91           N
+ATOM    238  CA  GLY A  29      28.313  -5.448  -2.879  1.00  4.59           C
+ATOM    239  C   GLY A  29      26.865  -5.674  -2.505  1.00  7.77           C
+ATOM    240  O   GLY A  29      26.304  -6.717  -2.833  1.00 11.51           O
+ATOM    241  N   PHE A  30      26.239  -4.705  -1.847  1.00  3.38           N
+ATOM    242  CA  PHE A  30      24.852  -4.887  -1.442  1.00  2.53           C
+ATOM    243  C   PHE A  30      23.818  -4.271  -2.379  1.00 10.78           C
+ATOM    244  O   PHE A  30      24.132  -3.397  -3.186  1.00  5.84           O
+ATOM    245  CB  PHE A  30      24.638  -4.344  -0.023  1.00  5.77           C
+ATOM    246  CG  PHE A  30      24.920  -2.869   0.126  1.00  4.24           C
+ATOM    247  CD1 PHE A  30      26.220  -2.406   0.330  1.00  2.86           C
+ATOM    248  CD2 PHE A  30      23.880  -1.947   0.084  1.00  5.94           C
+ATOM    249  CE1 PHE A  30      26.474  -1.039   0.497  1.00  4.07           C
+ATOM    250  CE2 PHE A  30      24.122  -0.582   0.249  1.00  1.81           C
+ATOM    251  CZ  PHE A  30      25.419  -0.129   0.456  1.00  2.57           C
+ATOM    252  N   HIS A  31      22.585  -4.760  -2.260  1.00  4.68           N
+ATOM    253  CA  HIS A  31      21.440  -4.282  -3.032  1.00  2.85           C
+ATOM    254  C   HIS A  31      20.183  -4.819  -2.349  1.00  2.70           C
+ATOM    255  O   HIS A  31      20.151  -5.977  -1.922  1.00  3.31           O
+ATOM    256  CB  HIS A  31      21.502  -4.782  -4.483  1.00  4.13           C
+ATOM    257  CG  HIS A  31      20.617  -4.018  -5.419  1.00  5.32           C
+ATOM    258  ND1 HIS A  31      19.354  -4.444  -5.773  1.00  6.01           N
+ATOM    259  CD2 HIS A  31      20.793  -2.821  -6.029  1.00 10.04           C
+ATOM    260  CE1 HIS A  31      18.791  -3.543  -6.560  1.00 16.44           C
+ATOM    261  NE2 HIS A  31      19.644  -2.548  -6.730  1.00 14.29           N
+ATOM    262  N   PRO A  32      19.132  -3.987  -2.221  1.00  4.15           N
+ATOM    263  CA  PRO A  32      19.046  -2.591  -2.672  1.00  1.07           C
+ATOM    264  C   PRO A  32      19.985  -1.678  -1.893  1.00  4.50           C
+ATOM    265  O   PRO A  32      20.607  -2.104  -0.926  1.00  4.79           O
+ATOM    266  CB  PRO A  32      17.576  -2.248  -2.449  1.00  2.62           C
+ATOM    267  CG  PRO A  32      17.224  -3.078  -1.252  1.00 11.51           C
+ATOM    268  CD  PRO A  32      17.873  -4.405  -1.580  1.00 12.35           C
+ATOM    269  N   SER A  33      20.070  -0.419  -2.316  1.00  5.38           N
+ATOM    270  CA  SER A  33      20.953   0.551  -1.677  1.00  4.80           C
+ATOM    271  C   SER A  33      20.506   1.011  -0.287  1.00  1.28           C
+ATOM    272  O   SER A  33      21.337   1.462   0.502  1.00  5.58           O
+ATOM    273  CB  SER A  33      21.124   1.770  -2.588  1.00  1.00           C
+ATOM    274  OG  SER A  33      19.873   2.398  -2.796  1.00  5.72           O
+ATOM    275  N   ASP A  34      19.209   0.918   0.011  1.00  1.00           N
+ATOM    276  CA  ASP A  34      18.706   1.317   1.330  1.00  1.33           C
+ATOM    277  C   ASP A  34      19.517   0.597   2.400  1.00  4.71           C
+ATOM    278  O   ASP A  34      19.657  -0.623   2.362  1.00  3.90           O
+ATOM    279  CB  ASP A  34      17.237   0.934   1.504  1.00  3.64           C
+ATOM    280  CG  ASP A  34      16.322   1.680   0.564  1.00 10.10           C
+ATOM    281  OD1 ASP A  34      16.564   1.643  -0.660  1.00 34.23           O
+ATOM    282  OD2 ASP A  34      15.352   2.290   1.057  1.00 12.60           O
+ATOM    283  N   ILE A  35      20.036   1.340   3.369  1.00  2.93           N
+ATOM    284  CA  ILE A  35      20.833   0.703   4.405  1.00  3.48           C
+ATOM    285  C   ILE A  35      21.054   1.647   5.583  1.00  5.41           C
+ATOM    286  O   ILE A  35      20.914   2.858   5.453  1.00  3.79           O
+ATOM    287  CB  ILE A  35      22.197   0.252   3.812  1.00  1.84           C
+ATOM    288  CG1 ILE A  35      22.831  -0.827   4.690  1.00  2.27           C
+ATOM    289  CG2 ILE A  35      23.133   1.452   3.663  1.00  5.07           C
+ATOM    290  CD1 ILE A  35      24.018  -1.518   4.029  1.00  5.70           C
+ATOM    291  N   GLU A  36      21.363   1.073   6.739  1.00  4.67           N
+ATOM    292  CA  GLU A  36      21.638   1.846   7.942  1.00  8.88           C
+ATOM    293  C   GLU A  36      22.937   1.275   8.489  1.00  8.06           C
+ATOM    294  O   GLU A  36      23.059   0.065   8.677  1.00  5.17           O
+ATOM    295  CB  GLU A  36      20.507   1.689   8.962  1.00  2.69           C
+ATOM    296  CG  GLU A  36      20.787   2.356  10.301  1.00  8.02           C
+ATOM    297  CD  GLU A  36      19.594   2.310  11.233  1.00 17.36           C
+ATOM    298  OE1 GLU A  36      18.883   1.284  11.238  1.00 15.29           O
+ATOM    299  OE2 GLU A  36      19.372   3.294  11.966  1.00 14.36           O
+ATOM    300  N   VAL A  37      23.914   2.143   8.728  1.00  3.70           N
+ATOM    301  CA  VAL A  37      25.210   1.697   9.218  1.00  3.23           C
+ATOM    302  C   VAL A  37      25.706   2.586  10.338  1.00  7.35           C
+ATOM    303  O   VAL A  37      25.658   3.808  10.235  1.00  5.44           O
+ATOM    304  CB  VAL A  37      26.262   1.712   8.090  1.00  1.00           C
+ATOM    305  CG1 VAL A  37      27.616   1.251   8.628  1.00  5.71           C
+ATOM    306  CG2 VAL A  37      25.803   0.819   6.943  1.00  4.93           C
+ATOM    307  N   ASP A  38      26.191   1.962  11.404  1.00  4.65           N
+ATOM    308  CA  ASP A  38      26.711   2.699  12.548  1.00  7.24           C
+ATOM    309  C   ASP A  38      27.997   2.088  13.059  1.00  9.24           C
+ATOM    310  O   ASP A  38      28.201   0.878  12.974  1.00  7.97           O
+ATOM    311  CB  ASP A  38      25.707   2.695  13.704  1.00  6.08           C
+ATOM    312  CG  ASP A  38      24.557   3.651  13.485  1.00 11.53           C
+ATOM    313  OD1 ASP A  38      24.806   4.872  13.410  1.00 12.77           O
+ATOM    314  OD2 ASP A  38      23.407   3.178  13.394  1.00 12.49           O
+ATOM    315  N   LEU A  39      28.876   2.941  13.569  1.00  3.87           N
+ATOM    316  CA  LEU A  39      30.106   2.470  14.179  1.00  3.85           C
+ATOM    317  C   LEU A  39      29.710   2.491  15.649  1.00 11.34           C
+ATOM    318  O   LEU A  39      28.949   3.363  16.067  1.00  7.55           O
+ATOM    319  CB  LEU A  39      31.260   3.442  13.928  1.00  2.31           C
+ATOM    320  CG  LEU A  39      31.770   3.519  12.487  1.00  9.10           C
+ATOM    321  CD1 LEU A  39      32.958   4.456  12.413  1.00  7.16           C
+ATOM    322  CD2 LEU A  39      32.174   2.130  12.023  1.00  6.21           C
+ATOM    323  N   LEU A  40      30.201   1.528  16.421  1.00  6.03           N
+ATOM    324  CA  LEU A  40      29.875   1.450  17.837  1.00 11.60           C
+ATOM    325  C   LEU A  40      31.122   1.465  18.699  1.00 10.58           C
+ATOM    326  O   LEU A  40      32.181   0.990  18.291  1.00  8.71           O
+ATOM    327  CB  LEU A  40      29.109   0.158  18.145  1.00  7.69           C
+ATOM    328  CG  LEU A  40      27.867  -0.211  17.330  1.00  6.51           C
+ATOM    329  CD1 LEU A  40      27.324  -1.540  17.829  1.00 14.34           C
+ATOM    330  CD2 LEU A  40      26.812   0.869  17.448  1.00  8.69           C
+ATOM    331  N   LYS A  41      30.981   2.028  19.893  1.00  9.68           N
+ATOM    332  CA  LYS A  41      32.059   2.065  20.869  1.00 11.38           C
+ATOM    333  C   LYS A  41      31.414   1.542  22.142  1.00  8.80           C
+ATOM    334  O   LYS A  41      30.535   2.192  22.712  1.00 11.20           O
+ATOM    335  CB  LYS A  41      32.569   3.484  21.103  1.00 12.19           C
+ATOM    336  CG  LYS A  41      33.722   3.522  22.103  1.00 14.14           C
+ATOM    337  CD  LYS A  41      34.180   4.932  22.406  1.00 12.18           C
+ATOM    338  CE  LYS A  41      35.291   4.914  23.444  1.00 29.29           C
+ATOM    339  NZ  LYS A  41      35.703   6.283  23.853  1.00 25.27           N
+ATOM    340  N   ASN A  42      31.837   0.359  22.567  1.00 11.90           N
+ATOM    341  CA  ASN A  42      31.284  -0.268  23.759  1.00 18.03           C
+ATOM    342  C   ASN A  42      29.760  -0.353  23.672  1.00 27.79           C
+ATOM    343  O   ASN A  42      29.051  -0.056  24.636  1.00 27.23           O
+ATOM    344  CB  ASN A  42      31.706   0.506  25.012  1.00 25.83           C
+ATOM    345  CG  ASN A  42      33.214   0.577  25.168  1.00 18.31           C
+ATOM    346  OD1 ASN A  42      33.908  -0.431  25.044  1.00 18.76           O
+ATOM    347  ND2 ASN A  42      33.729   1.772  25.443  1.00 21.84           N
+ATOM    348  N   GLY A  43      29.267  -0.751  22.501  1.00 25.21           N
+ATOM    349  CA  GLY A  43      27.835  -0.895  22.295  1.00 23.86           C
+ATOM    350  C   GLY A  43      27.056   0.380  22.036  1.00 20.96           C
+ATOM    351  O   GLY A  43      25.876   0.325  21.688  1.00 25.63           O
+ATOM    352  N   GLU A  44      27.706   1.526  22.206  1.00 13.88           N
+ATOM    353  CA  GLU A  44      27.065   2.818  21.995  1.00 14.99           C
+ATOM    354  C   GLU A  44      27.344   3.345  20.593  1.00 15.66           C
+ATOM    355  O   GLU A  44      28.468   3.279  20.106  1.00 13.49           O
+ATOM    356  CB  GLU A  44      27.574   3.834  23.023  1.00 24.96           C
+ATOM    357  CG  GLU A  44      27.198   3.534  24.470  1.00 30.10           C
+ATOM    358  CD  GLU A  44      25.755   3.880  24.789  1.00 46.26           C
+ATOM    359  OE1 GLU A  44      25.335   5.016  24.488  1.00 47.27           O
+ATOM    360  OE2 GLU A  44      25.042   3.023  25.352  1.00 33.08           O
+ATOM    361  N   ARG A  45      26.312   3.879  19.953  1.00 12.45           N
+ATOM    362  CA  ARG A  45      26.445   4.425  18.609  1.00 16.00           C
+ATOM    363  C   ARG A  45      27.329   5.672  18.599  1.00 15.48           C
+ATOM    364  O   ARG A  45      27.163   6.564  19.430  1.00 19.39           O
+ATOM    365  CB  ARG A  45      25.056   4.766  18.061  1.00 12.17           C
+ATOM    366  CG  ARG A  45      25.048   5.548  16.764  1.00 27.57           C
+ATOM    367  CD  ARG A  45      23.619   5.746  16.274  1.00 29.67           C
+ATOM    368  NE  ARG A  45      23.552   6.552  15.059  1.00 41.22           N
+ATOM    369  CZ  ARG A  45      23.793   7.858  15.011  1.00 47.93           C
+ATOM    370  NH1 ARG A  45      24.117   8.516  16.115  1.00 48.83           N
+ATOM    371  NH2 ARG A  45      23.707   8.507  13.857  1.00 40.81           N
+ATOM    372  N   ILE A  46      28.281   5.719  17.671  1.00  7.94           N
+ATOM    373  CA  ILE A  46      29.160   6.877  17.541  1.00  8.09           C
+ATOM    374  C   ILE A  46      28.415   7.879  16.659  1.00 14.48           C
+ATOM    375  O   ILE A  46      28.218   7.651  15.468  1.00 10.05           O
+ATOM    376  CB  ILE A  46      30.513   6.484  16.895  1.00  6.08           C
+ATOM    377  CG1 ILE A  46      31.253   5.508  17.813  1.00 10.15           C
+ATOM    378  CG2 ILE A  46      31.359   7.724  16.639  1.00 10.90           C
+ATOM    379  CD1 ILE A  46      32.554   4.971  17.241  1.00 13.79           C
+ATOM    380  N   GLU A  47      27.990   8.985  17.262  1.00 17.83           N
+ATOM    381  CA  GLU A  47      27.231  10.014  16.560  1.00 23.98           C
+ATOM    382  C   GLU A  47      28.038  10.752  15.499  1.00 24.25           C
+ATOM    383  O   GLU A  47      27.525  11.077  14.429  1.00 25.34           O
+ATOM    384  CB  GLU A  47      26.679  11.024  17.569  1.00 33.47           C
+ATOM    385  CG  GLU A  47      25.743  12.060  16.974  1.00 53.45           C
+ATOM    386  CD  GLU A  47      24.440  11.456  16.490  1.00 66.19           C
+ATOM    387  OE1 GLU A  47      23.694  10.902  17.326  1.00 59.58           O
+ATOM    388  OE2 GLU A  47      24.161  11.535  15.275  1.00 65.83           O
+ATOM    389  N   LYS A  48      29.303  11.010  15.803  1.00 13.47           N
+ATOM    390  CA  LYS A  48      30.178  11.729  14.893  1.00 24.38           C
+ATOM    391  C   LYS A  48      31.016  10.823  13.994  1.00 21.74           C
+ATOM    392  O   LYS A  48      32.017  10.262  14.431  1.00 14.47           O
+ATOM    393  CB  LYS A  48      31.106  12.640  15.702  1.00 26.34           C
+ATOM    394  CG  LYS A  48      32.110  13.427  14.882  1.00 29.56           C
+ATOM    395  CD  LYS A  48      33.051  14.200  15.794  1.00 33.29           C
+ATOM    396  CE  LYS A  48      34.007  15.068  14.997  1.00 50.95           C
+ATOM    397  NZ  LYS A  48      33.279  16.107  14.218  1.00 61.91           N
+ATOM    398  N   VAL A  49      30.590  10.667  12.744  1.00 17.01           N
+ATOM    399  CA  VAL A  49      31.338   9.870  11.776  1.00 10.20           C
+ATOM    400  C   VAL A  49      31.580  10.791  10.585  1.00 15.47           C
+ATOM    401  O   VAL A  49      30.678  11.060   9.791  1.00 15.53           O
+ATOM    402  CB  VAL A  49      30.568   8.613  11.329  1.00  7.87           C
+ATOM    403  CG1 VAL A  49      31.385   7.855  10.287  1.00  7.12           C
+ATOM    404  CG2 VAL A  49      30.304   7.713  12.535  1.00  9.70           C
+ATOM    405  N   GLU A  50      32.815  11.272  10.489  1.00  7.12           N
+ATOM    406  CA  GLU A  50      33.240  12.217   9.463  1.00 13.36           C
+ATOM    407  C   GLU A  50      33.110  11.825   7.996  1.00 19.43           C
+ATOM    408  O   GLU A  50      32.853  12.682   7.149  1.00 16.94           O
+ATOM    409  CB  GLU A  50      34.693  12.625   9.727  1.00 19.22           C
+ATOM    410  CG  GLU A  50      34.909  13.405  11.013  1.00 44.63           C
+ATOM    411  CD  GLU A  50      34.252  14.773  10.986  1.00 54.17           C
+ATOM    412  OE1 GLU A  50      34.423  15.532  11.962  1.00 65.17           O
+ATOM    413  OE2 GLU A  50      33.566  15.092   9.992  1.00 63.53           O
+ATOM    414  N   HIS A  51      33.282  10.546   7.685  1.00 10.35           N
+ATOM    415  CA  HIS A  51      33.224  10.119   6.291  1.00  6.92           C
+ATOM    416  C   HIS A  51      32.238   8.997   5.987  1.00  3.60           C
+ATOM    417  O   HIS A  51      32.171   7.998   6.698  1.00  6.88           O
+ATOM    418  CB  HIS A  51      34.624   9.701   5.845  1.00 14.30           C
+ATOM    419  CG  HIS A  51      35.658  10.766   6.035  1.00 21.79           C
+ATOM    420  ND1 HIS A  51      35.761  11.860   5.203  1.00 25.21           N
+ATOM    421  CD2 HIS A  51      36.616  10.920   6.979  1.00 31.85           C
+ATOM    422  CE1 HIS A  51      36.739  12.642   5.626  1.00 31.43           C
+ATOM    423  NE2 HIS A  51      37.273  12.095   6.703  1.00 29.86           N
+ATOM    424  N   SER A  52      31.472   9.183   4.916  1.00  9.01           N
+ATOM    425  CA  SER A  52      30.493   8.199   4.466  1.00  5.16           C
+ATOM    426  C   SER A  52      30.500   8.296   2.942  1.00 15.14           C
+ATOM    427  O   SER A  52      29.829   9.148   2.366  1.00 16.36           O
+ATOM    428  CB  SER A  52      29.102   8.536   5.010  1.00 11.20           C
+ATOM    429  OG  SER A  52      28.177   7.497   4.737  1.00  9.94           O
+ATOM    430  N   ASP A  53      31.273   7.427   2.299  1.00  7.19           N
+ATOM    431  CA  ASP A  53      31.393   7.439   0.843  1.00  9.62           C
+ATOM    432  C   ASP A  53      30.648   6.285   0.184  1.00  8.88           C
+ATOM    433  O   ASP A  53      30.994   5.120   0.385  1.00  8.55           O
+ATOM    434  CB  ASP A  53      32.872   7.383   0.433  1.00 13.75           C
+ATOM    435  CG  ASP A  53      33.722   8.427   1.143  1.00 23.24           C
+ATOM    436  OD1 ASP A  53      33.209   9.528   1.421  1.00 12.00           O
+ATOM    437  OD2 ASP A  53      34.910   8.151   1.410  1.00 21.97           O
+ATOM    438  N   LEU A  54      29.638   6.620  -0.616  1.00  7.75           N
+ATOM    439  CA  LEU A  54      28.838   5.619  -1.315  1.00  6.54           C
+ATOM    440  C   LEU A  54      29.145   5.627  -2.809  1.00 10.68           C
+ATOM    441  O   LEU A  54      29.351   6.683  -3.408  1.00  7.83           O
+ATOM    442  CB  LEU A  54      27.347   5.894  -1.113  1.00  3.57           C
+ATOM    443  CG  LEU A  54      26.373   4.906  -1.764  1.00  7.10           C
+ATOM    444  CD1 LEU A  54      26.383   3.595  -0.983  1.00  7.58           C
+ATOM    445  CD2 LEU A  54      24.974   5.497  -1.779  1.00  7.25           C
+ATOM    446  N   SER A  55      29.171   4.438  -3.399  1.00  3.83           N
+ATOM    447  CA  SER A  55      29.434   4.280  -4.821  1.00  3.58           C
+ATOM    448  C   SER A  55      28.761   2.999  -5.288  1.00  1.00           C
+ATOM    449  O   SER A  55      28.215   2.249  -4.482  1.00  1.00           O
+ATOM    450  CB  SER A  55      30.943   4.190  -5.082  1.00  3.07           C
+ATOM    451  OG  SER A  55      31.518   3.046  -4.467  1.00  7.96           O
+ATOM    452  N   PHE A  56      28.780   2.772  -6.594  1.00  4.73           N
+ATOM    453  CA  PHE A  56      28.215   1.561  -7.167  1.00  6.04           C
+ATOM    454  C   PHE A  56      29.061   1.178  -8.374  1.00  4.14           C
+ATOM    455  O   PHE A  56      29.697   2.034  -8.986  1.00  9.73           O
+ATOM    456  CB  PHE A  56      26.736   1.771  -7.555  1.00  2.12           C
+ATOM    457  CG  PHE A  56      26.507   2.815  -8.623  1.00  7.24           C
+ATOM    458  CD1 PHE A  56      26.610   2.490  -9.973  1.00  8.10           C
+ATOM    459  CD2 PHE A  56      26.157   4.117  -8.273  1.00  6.14           C
+ATOM    460  CE1 PHE A  56      26.364   3.451 -10.964  1.00  5.87           C
+ATOM    461  CE2 PHE A  56      25.910   5.085  -9.254  1.00  7.31           C
+ATOM    462  CZ  PHE A  56      26.014   4.749 -10.598  1.00  8.06           C
+ATOM    463  N   SER A  57      29.110  -0.113  -8.685  1.00  4.22           N
+ATOM    464  CA  SER A  57      29.869  -0.587  -9.840  1.00  6.27           C
+ATOM    465  C   SER A  57      28.783  -0.872 -10.866  1.00 11.84           C
+ATOM    466  O   SER A  57      28.460  -0.018 -11.692  1.00 13.56           O
+ATOM    467  CB  SER A  57      30.648  -1.859  -9.487  1.00  6.55           C
+ATOM    468  OG  SER A  57      29.799  -2.846  -8.934  1.00  6.78           O
+ATOM    469  N   LYS A  58      28.211  -2.068 -10.806  1.00 10.45           N
+ATOM    470  CA  LYS A  58      27.104  -2.404 -11.689  1.00 17.82           C
+ATOM    471  C   LYS A  58      25.965  -1.595 -11.071  1.00 26.11           C
+ATOM    472  O   LYS A  58      26.059  -1.192  -9.910  1.00 10.15           O
+ATOM    473  CB  LYS A  58      26.780  -3.898 -11.607  1.00 10.51           C
+ATOM    474  CG  LYS A  58      27.851  -4.815 -12.171  1.00 21.44           C
+ATOM    475  CD  LYS A  58      27.917  -4.712 -13.685  1.00 38.83           C
+ATOM    476  CE  LYS A  58      28.885  -5.728 -14.269  1.00 46.78           C
+ATOM    477  NZ  LYS A  58      28.902  -5.675 -15.758  1.00 39.56           N
+ATOM    478  N   ASP A  59      24.899  -1.348 -11.826  1.00 11.95           N
+ATOM    479  CA  ASP A  59      23.779  -0.578 -11.289  1.00 14.03           C
+ATOM    480  C   ASP A  59      23.150  -1.226 -10.059  1.00 18.01           C
+ATOM    481  O   ASP A  59      22.461  -0.562  -9.288  1.00 12.60           O
+ATOM    482  CB  ASP A  59      22.702  -0.376 -12.358  1.00 16.40           C
+ATOM    483  CG  ASP A  59      23.101   0.647 -13.403  1.00 21.20           C
+ATOM    484  OD1 ASP A  59      24.138   1.317 -13.220  1.00 18.03           O
+ATOM    485  OD2 ASP A  59      22.369   0.789 -14.404  1.00 20.81           O
+ATOM    486  N   TRP A  60      23.397  -2.519  -9.872  1.00  9.82           N
+ATOM    487  CA  TRP A  60      22.828  -3.247  -8.741  1.00 10.51           C
+ATOM    488  C   TRP A  60      23.852  -3.686  -7.697  1.00 19.63           C
+ATOM    489  O   TRP A  60      23.638  -4.672  -6.993  1.00 11.53           O
+ATOM    490  CB  TRP A  60      22.069  -4.474  -9.251  1.00 11.13           C
+ATOM    491  CG  TRP A  60      22.913  -5.342 -10.124  1.00 20.39           C
+ATOM    492  CD1 TRP A  60      23.816  -6.285  -9.718  1.00 20.27           C
+ATOM    493  CD2 TRP A  60      22.982  -5.309 -11.555  1.00 17.37           C
+ATOM    494  NE1 TRP A  60      24.443  -6.840 -10.809  1.00 23.83           N
+ATOM    495  CE2 TRP A  60      23.950  -6.259 -11.948  1.00 20.24           C
+ATOM    496  CE3 TRP A  60      22.319  -4.568 -12.543  1.00 35.60           C
+ATOM    497  CZ2 TRP A  60      24.274  -6.489 -13.292  1.00 34.58           C
+ATOM    498  CZ3 TRP A  60      22.642  -4.796 -13.881  1.00 24.62           C
+ATOM    499  CH2 TRP A  60      23.611  -5.750 -14.240  1.00 25.63           C
+ATOM    500  N   SER A  61      24.962  -2.964  -7.595  1.00  8.13           N
+ATOM    501  CA  SER A  61      25.981  -3.311  -6.608  1.00  4.93           C
+ATOM    502  C   SER A  61      26.527  -2.046  -5.958  1.00  7.18           C
+ATOM    503  O   SER A  61      27.233  -1.264  -6.599  1.00  5.07           O
+ATOM    504  CB  SER A  61      27.113  -4.098  -7.268  1.00 11.51           C
+ATOM    505  OG  SER A  61      28.052  -4.538  -6.301  1.00 12.98           O
+ATOM    506  N   PHE A  62      26.191  -1.850  -4.686  1.00  2.19           N
+ATOM    507  CA  PHE A  62      26.625  -0.666  -3.949  1.00  1.00           C
+ATOM    508  C   PHE A  62      27.747  -0.940  -2.961  1.00 11.73           C
+ATOM    509  O   PHE A  62      27.904  -2.060  -2.466  1.00  2.80           O
+ATOM    510  CB  PHE A  62      25.432  -0.040  -3.216  1.00  1.57           C
+ATOM    511  CG  PHE A  62      24.509   0.733  -4.116  1.00  4.35           C
+ATOM    512  CD1 PHE A  62      24.560   2.126  -4.161  1.00  5.49           C
+ATOM    513  CD2 PHE A  62      23.601   0.068  -4.937  1.00  4.91           C
+ATOM    514  CE1 PHE A  62      23.716   2.847  -5.014  1.00  4.99           C
+ATOM    515  CE2 PHE A  62      22.752   0.779  -5.795  1.00  9.82           C
+ATOM    516  CZ  PHE A  62      22.811   2.171  -5.832  1.00  4.73           C
+ATOM    517  N   TYR A  63      28.520   0.105  -2.682  1.00  3.81           N
+ATOM    518  CA  TYR A  63      29.650   0.026  -1.768  1.00  3.62           C
+ATOM    519  C   TYR A  63      29.659   1.254  -0.878  1.00  5.07           C
+ATOM    520  O   TYR A  63      29.472   2.372  -1.356  1.00  5.16           O
+ATOM    521  CB  TYR A  63      30.961  -0.026  -2.553  1.00  3.19           C
+ATOM    522  CG  TYR A  63      31.004  -1.157  -3.544  1.00  3.40           C
+ATOM    523  CD1 TYR A  63      30.393  -1.038  -4.792  1.00  5.70           C
+ATOM    524  CD2 TYR A  63      31.581  -2.381  -3.205  1.00  4.94           C
+ATOM    525  CE1 TYR A  63      30.348  -2.109  -5.674  1.00 10.08           C
+ATOM    526  CE2 TYR A  63      31.541  -3.460  -4.082  1.00  8.07           C
+ATOM    527  CZ  TYR A  63      30.922  -3.316  -5.312  1.00 11.23           C
+ATOM    528  OH  TYR A  63      30.863  -4.385  -6.175  1.00 12.27           O
+ATOM    529  N   LEU A  64      29.884   1.040   0.413  1.00  2.65           N
+ATOM    530  CA  LEU A  64      29.923   2.139   1.363  1.00  5.08           C
+ATOM    531  C   LEU A  64      31.127   2.041   2.278  1.00  4.51           C
+ATOM    532  O   LEU A  64      31.350   1.007   2.909  1.00  5.21           O
+ATOM    533  CB  LEU A  64      28.660   2.149   2.230  1.00  4.51           C
+ATOM    534  CG  LEU A  64      28.626   3.243   3.308  1.00 11.02           C
+ATOM    535  CD1 LEU A  64      28.412   4.594   2.645  1.00  9.26           C
+ATOM    536  CD2 LEU A  64      27.511   2.963   4.307  1.00 13.20           C
+ATOM    537  N   LEU A  65      31.913   3.113   2.332  1.00  3.06           N
+ATOM    538  CA  LEU A  65      33.057   3.170   3.228  1.00  3.25           C
+ATOM    539  C   LEU A  65      32.642   4.203   4.269  1.00  4.06           C
+ATOM    540  O   LEU A  65      32.461   5.384   3.955  1.00  7.34           O
+ATOM    541  CB  LEU A  65      34.326   3.629   2.508  1.00  8.39           C
+ATOM    542  CG  LEU A  65      35.561   3.626   3.420  1.00  5.46           C
+ATOM    543  CD1 LEU A  65      35.807   2.214   3.939  1.00  6.67           C
+ATOM    544  CD2 LEU A  65      36.778   4.133   2.657  1.00  8.20           C
+ATOM    545  N   TYR A  66      32.489   3.742   5.503  1.00  3.55           N
+ATOM    546  CA  TYR A  66      32.044   4.578   6.615  1.00  3.71           C
+ATOM    547  C   TYR A  66      33.165   4.597   7.643  1.00  2.41           C
+ATOM    548  O   TYR A  66      33.427   3.588   8.296  1.00  5.85           O
+ATOM    549  CB  TYR A  66      30.781   3.938   7.200  1.00  4.04           C
+ATOM    550  CG  TYR A  66      29.983   4.753   8.190  1.00  3.95           C
+ATOM    551  CD1 TYR A  66      29.311   5.914   7.802  1.00  5.30           C
+ATOM    552  CD2 TYR A  66      29.833   4.314   9.507  1.00  7.69           C
+ATOM    553  CE1 TYR A  66      28.497   6.613   8.705  1.00  6.56           C
+ATOM    554  CE2 TYR A  66      29.029   5.001  10.414  1.00  4.88           C
+ATOM    555  CZ  TYR A  66      28.363   6.146  10.010  1.00  6.19           C
+ATOM    556  OH  TYR A  66      27.563   6.812  10.914  1.00  7.58           O
+ATOM    557  N   TYR A  67      33.831   5.738   7.788  1.00  6.72           N
+ATOM    558  CA  TYR A  67      34.936   5.823   8.734  1.00  6.34           C
+ATOM    559  C   TYR A  67      35.095   7.183   9.396  1.00  4.91           C
+ATOM    560  O   TYR A  67      34.552   8.188   8.933  1.00  5.53           O
+ATOM    561  CB  TYR A  67      36.253   5.441   8.049  1.00  4.20           C
+ATOM    562  CG  TYR A  67      36.729   6.411   6.985  1.00 12.76           C
+ATOM    563  CD1 TYR A  67      36.098   6.486   5.745  1.00 15.27           C
+ATOM    564  CD2 TYR A  67      37.829   7.236   7.215  1.00 19.75           C
+ATOM    565  CE1 TYR A  67      36.554   7.356   4.755  1.00 22.04           C
+ATOM    566  CE2 TYR A  67      38.294   8.109   6.235  1.00 23.93           C
+ATOM    567  CZ  TYR A  67      37.652   8.163   5.007  1.00 26.37           C
+ATOM    568  OH  TYR A  67      38.111   9.019   4.034  1.00 37.65           O
+ATOM    569  N   THR A  68      35.857   7.202  10.483  1.00  9.12           N
+ATOM    570  CA  THR A  68      36.097   8.436  11.217  1.00  8.04           C
+ATOM    571  C   THR A  68      37.293   8.231  12.141  1.00  8.22           C
+ATOM    572  O   THR A  68      37.622   7.101  12.503  1.00  7.00           O
+ATOM    573  CB  THR A  68      34.849   8.830  12.046  1.00  8.78           C
+ATOM    574  OG1 THR A  68      34.943  10.206  12.435  1.00 11.70           O
+ATOM    575  CG2 THR A  68      34.735   7.963  13.293  1.00 12.99           C
+ATOM    576  N   GLU A  69      37.954   9.319  12.513  1.00  9.37           N
+ATOM    577  CA  GLU A  69      39.107   9.212  13.398  1.00  5.46           C
+ATOM    578  C   GLU A  69      38.702   8.777  14.803  1.00  7.38           C
+ATOM    579  O   GLU A  69      37.624   9.126  15.289  1.00  9.98           O
+ATOM    580  CB  GLU A  69      39.849  10.550  13.458  1.00 15.44           C
+ATOM    581  CG  GLU A  69      41.022  10.556  14.420  1.00 13.15           C
+ATOM    582  CD  GLU A  69      41.934  11.750  14.218  1.00 33.77           C
+ATOM    583  OE1 GLU A  69      41.417  12.867  14.015  1.00 24.19           O
+ATOM    584  OE2 GLU A  69      43.168  11.571  14.270  1.00 31.67           O
+ATOM    585  N   PHE A  70      39.564   7.997  15.447  1.00 11.87           N
+ATOM    586  CA  PHE A  70      39.300   7.533  16.802  1.00 11.80           C
+ATOM    587  C   PHE A  70      40.604   7.244  17.539  1.00 11.59           C
+ATOM    588  O   PHE A  70      41.674   7.211  16.933  1.00 10.86           O
+ATOM    589  CB  PHE A  70      38.384   6.291  16.776  1.00 14.57           C
+ATOM    590  CG  PHE A  70      39.082   4.990  16.438  1.00  5.27           C
+ATOM    591  CD1 PHE A  70      40.043   4.921  15.431  1.00  5.75           C
+ATOM    592  CD2 PHE A  70      38.730   3.817  17.103  1.00  6.50           C
+ATOM    593  CE1 PHE A  70      40.641   3.696  15.093  1.00  4.61           C
+ATOM    594  CE2 PHE A  70      39.319   2.590  16.773  1.00  7.89           C
+ATOM    595  CZ  PHE A  70      40.276   2.530  15.767  1.00  7.33           C
+ATOM    596  N   THR A  71      40.513   7.068  18.852  1.00 13.45           N
+ATOM    597  CA  THR A  71      41.687   6.777  19.669  1.00 11.87           C
+ATOM    598  C   THR A  71      41.351   5.581  20.549  1.00 13.46           C
+ATOM    599  O   THR A  71      40.923   5.739  21.692  1.00 17.90           O
+ATOM    600  CB  THR A  71      42.056   7.977  20.563  1.00 18.64           C
+ATOM    601  OG1 THR A  71      42.242   9.141  19.748  1.00 21.59           O
+ATOM    602  CG2 THR A  71      43.342   7.693  21.327  1.00 25.38           C
+ATOM    603  N   PRO A  72      41.544   4.363  20.023  1.00 12.19           N
+ATOM    604  CA  PRO A  72      41.255   3.130  20.755  1.00 12.94           C
+ATOM    605  C   PRO A  72      42.208   2.816  21.902  1.00 20.09           C
+ATOM    606  O   PRO A  72      43.391   3.158  21.861  1.00 19.67           O
+ATOM    607  CB  PRO A  72      41.314   2.069  19.662  1.00 12.20           C
+ATOM    608  CG  PRO A  72      42.415   2.578  18.790  1.00 13.35           C
+ATOM    609  CD  PRO A  72      42.084   4.060  18.683  1.00 18.66           C
+ATOM    610  N   THR A  73      41.666   2.170  22.927  1.00 21.27           N
+ATOM    611  CA  THR A  73      42.434   1.750  24.093  1.00 27.62           C
+ATOM    612  C   THR A  73      42.148   0.262  24.241  1.00 38.26           C
+ATOM    613  O   THR A  73      41.091  -0.210  23.823  1.00 28.33           O
+ATOM    614  CB  THR A  73      41.983   2.473  25.379  1.00 20.73           C
+ATOM    615  OG1 THR A  73      40.606   2.175  25.639  1.00 31.75           O
+ATOM    616  CG2 THR A  73      42.160   3.974  25.238  1.00 26.86           C
+ATOM    617  N   GLU A  74      43.082  -0.473  24.831  1.00 34.10           N
+ATOM    618  CA  GLU A  74      42.922  -1.912  25.011  1.00 45.54           C
+ATOM    619  C   GLU A  74      41.686  -2.298  25.823  1.00 45.08           C
+ATOM    620  O   GLU A  74      41.373  -3.482  25.952  1.00 57.55           O
+ATOM    621  CB  GLU A  74      44.171  -2.500  25.677  1.00 43.01           C
+ATOM    622  CG  GLU A  74      44.426  -2.007  27.098  1.00 49.19           C
+ATOM    623  CD  GLU A  74      44.703  -0.516  27.167  1.00 49.95           C
+ATOM    624  OE1 GLU A  74      45.670  -0.059  26.520  1.00 63.53           O
+ATOM    625  OE2 GLU A  74      43.955   0.198  27.869  1.00 60.78           O
+ATOM    626  N   LYS A  75      40.982  -1.307  26.362  1.00 30.90           N
+ATOM    627  CA  LYS A  75      39.795  -1.574  27.172  1.00 30.29           C
+ATOM    628  C   LYS A  75      38.474  -1.352  26.435  1.00 50.19           C
+ATOM    629  O   LYS A  75      37.436  -1.870  26.850  1.00 39.37           O
+ATOM    630  CB  LYS A  75      39.814  -0.708  28.435  1.00 47.27           C
+ATOM    631  CG  LYS A  75      39.728   0.787  28.165  1.00 47.62           C
+ATOM    632  CD  LYS A  75      39.702   1.585  29.459  1.00 51.59           C
+ATOM    633  CE  LYS A  75      39.617   3.079  29.186  1.00 41.70           C
+ATOM    634  NZ  LYS A  75      39.588   3.874  30.446  1.00 54.12           N
+ATOM    635  N   ASP A  76      38.507  -0.581  25.353  1.00 19.66           N
+ATOM    636  CA  ASP A  76      37.292  -0.309  24.590  1.00 21.26           C
+ATOM    637  C   ASP A  76      37.075  -1.305  23.461  1.00 18.77           C
+ATOM    638  O   ASP A  76      38.027  -1.836  22.889  1.00 28.57           O
+ATOM    639  CB  ASP A  76      37.323   1.109  24.015  1.00 23.25           C
+ATOM    640  CG  ASP A  76      37.270   2.177  25.091  1.00 24.64           C
+ATOM    641  OD1 ASP A  76      36.329   2.148  25.911  1.00 38.03           O
+ATOM    642  OD2 ASP A  76      38.166   3.046  25.117  1.00 36.63           O
+ATOM    643  N   GLU A  77      35.809  -1.554  23.147  1.00 22.34           N
+ATOM    644  CA  GLU A  77      35.452  -2.480  22.080  1.00 17.52           C
+ATOM    645  C   GLU A  77      34.765  -1.695  20.969  1.00 13.60           C
+ATOM    646  O   GLU A  77      33.863  -0.901  21.230  1.00 18.56           O
+ATOM    647  CB  GLU A  77      34.505  -3.562  22.608  1.00 24.73           C
+ATOM    648  CG  GLU A  77      33.188  -3.025  23.146  1.00 41.37           C
+ATOM    649  CD  GLU A  77      32.224  -4.124  23.551  1.00 67.90           C
+ATOM    650  OE1 GLU A  77      31.860  -4.948  22.684  1.00 63.37           O
+ATOM    651  OE2 GLU A  77      31.828  -4.163  24.736  1.00 59.31           O
+ATOM    652  N   TYR A  78      35.202  -1.911  19.734  1.00 13.98           N
+ATOM    653  CA  TYR A  78      34.611  -1.212  18.601  1.00 14.03           C
+ATOM    654  C   TYR A  78      33.980  -2.187  17.626  1.00 15.79           C
+ATOM    655  O   TYR A  78      34.438  -3.320  17.481  1.00 11.27           O
+ATOM    656  CB  TYR A  78      35.665  -0.366  17.888  1.00 10.14           C
+ATOM    657  CG  TYR A  78      36.156   0.787  18.729  1.00 12.31           C
+ATOM    658  CD1 TYR A  78      37.192   0.618  19.647  1.00 15.50           C
+ATOM    659  CD2 TYR A  78      35.561   2.043  18.628  1.00  9.82           C
+ATOM    660  CE1 TYR A  78      37.625   1.677  20.443  1.00 12.39           C
+ATOM    661  CE2 TYR A  78      35.985   3.106  19.419  1.00 13.95           C
+ATOM    662  CZ  TYR A  78      37.017   2.916  20.323  1.00 16.61           C
+ATOM    663  OH  TYR A  78      37.437   3.968  21.102  1.00 19.97           O
+ATOM    664  N   ALA A  79      32.924  -1.742  16.956  1.00 10.38           N
+ATOM    665  CA  ALA A  79      32.236  -2.595  16.005  1.00  5.71           C
+ATOM    666  C   ALA A  79      31.440  -1.783  15.000  1.00  9.11           C
+ATOM    667  O   ALA A  79      31.340  -0.560  15.105  1.00  7.95           O
+ATOM    668  CB  ALA A  79      31.306  -3.542  16.748  1.00 10.11           C
+ATOM    669  N   CYS A  80      30.881  -2.481  14.020  1.00  3.01           N
+ATOM    670  CA  CYS A  80      30.056  -1.850  13.002  1.00  2.94           C
+ATOM    671  C   CYS A  80      28.720  -2.581  12.994  1.00  6.16           C
+ATOM    672  O   CYS A  80      28.680  -3.811  12.967  1.00  6.81           O
+ATOM    673  CB  CYS A  80      30.702  -1.966  11.623  1.00  2.30           C
+ATOM    674  SG  CYS A  80      29.805  -1.039  10.340  1.00  9.99           S
+ATOM    675  N   ARG A  81      27.633  -1.819  13.035  1.00  3.33           N
+ATOM    676  CA  ARG A  81      26.292  -2.393  13.027  1.00  6.35           C
+ATOM    677  C   ARG A  81      25.601  -2.023  11.725  1.00 11.37           C
+ATOM    678  O   ARG A  81      25.519  -0.847  11.362  1.00  6.60           O
+ATOM    679  CB  ARG A  81      25.477  -1.866  14.200  1.00  2.81           C
+ATOM    680  CG  ARG A  81      24.107  -2.512  14.331  1.00  9.85           C
+ATOM    681  CD  ARG A  81      23.419  -2.022  15.592  1.00 12.92           C
+ATOM    682  NE  ARG A  81      23.234  -0.576  15.554  1.00 21.28           N
+ATOM    683  CZ  ARG A  81      23.074   0.187  16.629  1.00 33.72           C
+ATOM    684  NH1 ARG A  81      23.078  -0.359  17.838  1.00 17.37           N
+ATOM    685  NH2 ARG A  81      22.913   1.496  16.493  1.00 14.03           N
+ATOM    686  N   VAL A  82      25.092  -3.034  11.036  1.00  3.59           N
+ATOM    687  CA  VAL A  82      24.436  -2.824   9.757  1.00  4.31           C
+ATOM    688  C   VAL A  82      23.026  -3.392   9.720  1.00 12.60           C
+ATOM    689  O   VAL A  82      22.788  -4.509  10.179  1.00  6.01           O
+ATOM    690  CB  VAL A  82      25.254  -3.484   8.617  1.00  1.92           C
+ATOM    691  CG1 VAL A  82      24.522  -3.352   7.296  1.00  1.00           C
+ATOM    692  CG2 VAL A  82      26.634  -2.854   8.530  1.00  4.82           C
+ATOM    693  N   ASN A  83      22.097  -2.604   9.182  1.00  3.06           N
+ATOM    694  CA  ASN A  83      20.712  -3.034   9.019  1.00  1.00           C
+ATOM    695  C   ASN A  83      20.419  -2.936   7.528  1.00  5.48           C
+ATOM    696  O   ASN A  83      20.694  -1.912   6.900  1.00  5.43           O
+ATOM    697  CB  ASN A  83      19.751  -2.138   9.802  1.00  9.45           C
+ATOM    698  CG  ASN A  83      19.483  -2.655  11.201  1.00 42.89           C
+ATOM    699  OD1 ASN A  83      19.012  -3.777  11.379  1.00 45.58           O
+ATOM    700  ND2 ASN A  83      19.778  -1.836  12.201  1.00 48.44           N
+ATOM    701  N   HIS A  84      19.878  -4.012   6.965  1.00  3.33           N
+ATOM    702  CA  HIS A  84      19.564  -4.082   5.539  1.00  3.87           C
+ATOM    703  C   HIS A  84      18.375  -5.029   5.406  1.00  1.75           C
+ATOM    704  O   HIS A  84      18.128  -5.836   6.303  1.00  7.26           O
+ATOM    705  CB  HIS A  84      20.782  -4.630   4.778  1.00  1.37           C
+ATOM    706  CG  HIS A  84      20.676  -4.525   3.285  1.00  4.21           C
+ATOM    707  ND1 HIS A  84      20.393  -5.608   2.480  1.00  4.42           N
+ATOM    708  CD2 HIS A  84      20.835  -3.468   2.452  1.00  2.54           C
+ATOM    709  CE1 HIS A  84      20.382  -5.223   1.215  1.00  2.70           C
+ATOM    710  NE2 HIS A  84      20.648  -3.929   1.171  1.00  3.16           N
+ATOM    711  N   VAL A  85      17.637  -4.944   4.301  1.00  5.23           N
+ATOM    712  CA  VAL A  85      16.478  -5.815   4.138  1.00  3.12           C
+ATOM    713  C   VAL A  85      16.842  -7.293   4.107  1.00  7.77           C
+ATOM    714  O   VAL A  85      16.014  -8.145   4.443  1.00  5.95           O
+ATOM    715  CB  VAL A  85      15.661  -5.467   2.866  1.00  4.75           C
+ATOM    716  CG1 VAL A  85      15.035  -4.093   3.021  1.00 15.15           C
+ATOM    717  CG2 VAL A  85      16.547  -5.518   1.633  1.00  4.93           C
+ATOM    718  N   THR A  86      18.080  -7.594   3.726  1.00  2.64           N
+ATOM    719  CA  THR A  86      18.546  -8.981   3.655  1.00  3.75           C
+ATOM    720  C   THR A  86      18.923  -9.540   5.028  1.00  7.90           C
+ATOM    721  O   THR A  86      19.169 -10.736   5.165  1.00  2.51           O
+ATOM    722  CB  THR A  86      19.782  -9.119   2.732  1.00  7.67           C
+ATOM    723  OG1 THR A  86      20.832  -8.260   3.204  1.00  4.86           O
+ATOM    724  CG2 THR A  86      19.425  -8.742   1.291  1.00  6.02           C
+ATOM    725  N   LEU A  87      18.972  -8.673   6.036  1.00  5.57           N
+ATOM    726  CA  LEU A  87      19.329  -9.083   7.395  1.00  5.94           C
+ATOM    727  C   LEU A  87      18.116  -8.985   8.314  1.00  9.44           C
+ATOM    728  O   LEU A  87      17.663  -7.888   8.633  1.00 11.11           O
+ATOM    729  CB  LEU A  87      20.454  -8.189   7.929  1.00  4.30           C
+ATOM    730  CG  LEU A  87      21.739  -8.132   7.097  1.00  6.29           C
+ATOM    731  CD1 LEU A  87      22.634  -6.997   7.587  1.00  6.37           C
+ATOM    732  CD2 LEU A  87      22.459  -9.464   7.176  1.00  9.45           C
+ATOM    733  N   SER A  88      17.595 -10.133   8.741  1.00  5.89           N
+ATOM    734  CA  SER A  88      16.426 -10.159   9.616  1.00  5.64           C
+ATOM    735  C   SER A  88      16.715  -9.458  10.939  1.00 10.12           C
+ATOM    736  O   SER A  88      15.823  -8.872  11.551  1.00 12.66           O
+ATOM    737  CB  SER A  88      15.980 -11.603   9.866  1.00  7.46           C
+ATOM    738  OG  SER A  88      17.068 -12.416  10.262  1.00  9.86           O
+ATOM    739  N   GLN A  89      17.967  -9.524  11.371  1.00  7.50           N
+ATOM    740  CA  GLN A  89      18.398  -8.874  12.602  1.00  8.34           C
+ATOM    741  C   GLN A  89      19.626  -8.051  12.233  1.00  5.65           C
+ATOM    742  O   GLN A  89      20.384  -8.433  11.344  1.00  6.99           O
+ATOM    743  CB  GLN A  89      18.775  -9.916  13.661  1.00 14.53           C
+ATOM    744  CG  GLN A  89      17.632 -10.835  14.083  1.00 11.85           C
+ATOM    745  CD  GLN A  89      16.431 -10.073  14.615  1.00 40.36           C
+ATOM    746  OE1 GLN A  89      16.560  -9.231  15.503  1.00 39.09           O
+ATOM    747  NE2 GLN A  89      15.252 -10.372  14.075  1.00 35.40           N
+ATOM    748  N   PRO A  90      19.834  -6.903  12.897  1.00 10.49           N
+ATOM    749  CA  PRO A  90      21.015  -6.109  12.549  1.00  7.73           C
+ATOM    750  C   PRO A  90      22.282  -6.937  12.741  1.00  6.35           C
+ATOM    751  O   PRO A  90      22.387  -7.721  13.687  1.00  9.51           O
+ATOM    752  CB  PRO A  90      20.929  -4.920  13.507  1.00 15.01           C
+ATOM    753  CG  PRO A  90      20.204  -5.489  14.694  1.00 28.25           C
+ATOM    754  CD  PRO A  90      19.121  -6.316  14.044  1.00 16.04           C
+ATOM    755  N   LYS A  91      23.233  -6.778  11.832  1.00  5.83           N
+ATOM    756  CA  LYS A  91      24.476  -7.525  11.918  1.00  5.81           C
+ATOM    757  C   LYS A  91      25.553  -6.669  12.558  1.00  9.45           C
+ATOM    758  O   LYS A  91      25.778  -5.532  12.153  1.00  7.88           O
+ATOM    759  CB  LYS A  91      24.930  -7.977  10.529  1.00  8.26           C
+ATOM    760  CG  LYS A  91      26.185  -8.838  10.549  1.00 19.99           C
+ATOM    761  CD  LYS A  91      26.545  -9.366   9.166  1.00 27.33           C
+ATOM    762  CE  LYS A  91      25.486 -10.315   8.635  1.00 40.35           C
+ATOM    763  NZ  LYS A  91      25.884 -10.908   7.325  1.00 47.17           N
+ATOM    764  N   ILE A  92      26.206  -7.219  13.575  1.00  5.23           N
+ATOM    765  CA  ILE A  92      27.266  -6.499  14.262  1.00  5.94           C
+ATOM    766  C   ILE A  92      28.583  -7.217  14.034  1.00 10.29           C
+ATOM    767  O   ILE A  92      28.731  -8.389  14.378  1.00 11.31           O
+ATOM    768  CB  ILE A  92      26.996  -6.410  15.779  1.00  8.85           C
+ATOM    769  CG1 ILE A  92      25.673  -5.683  16.028  1.00 11.75           C
+ATOM    770  CG2 ILE A  92      28.142  -5.680  16.468  1.00 14.74           C
+ATOM    771  CD1 ILE A  92      25.236  -5.667  17.474  1.00 16.55           C
+ATOM    772  N   VAL A  93      29.531  -6.514  13.425  1.00  8.10           N
+ATOM    773  CA  VAL A  93      30.845  -7.076  13.158  1.00  7.44           C
+ATOM    774  C   VAL A  93      31.826  -6.307  14.021  1.00 13.19           C
+ATOM    775  O   VAL A  93      31.963  -5.091  13.894  1.00  6.78           O
+ATOM    776  CB  VAL A  93      31.237  -6.923  11.673  1.00  6.34           C
+ATOM    777  CG1 VAL A  93      32.647  -7.449  11.446  1.00 11.20           C
+ATOM    778  CG2 VAL A  93      30.241  -7.679  10.795  1.00 12.33           C
+ATOM    779  N   LYS A  94      32.498  -7.020  14.915  1.00 14.66           N
+ATOM    780  CA  LYS A  94      33.455  -6.389  15.808  1.00 11.67           C
+ATOM    781  C   LYS A  94      34.761  -6.048  15.109  1.00 15.84           C
+ATOM    782  O   LYS A  94      35.133  -6.661  14.104  1.00 14.92           O
+ATOM    783  CB  LYS A  94      33.744  -7.306  17.002  1.00 20.51           C
+ATOM    784  CG  LYS A  94      32.535  -7.596  17.871  1.00 26.19           C
+ATOM    785  CD  LYS A  94      32.903  -8.495  19.042  1.00 41.19           C
+ATOM    786  CE  LYS A  94      31.704  -8.752  19.940  1.00 47.27           C
+ATOM    787  NZ  LYS A  94      32.056  -9.604  21.110  1.00 53.10           N
+ATOM    788  N   TRP A  95      35.446  -5.043  15.639  1.00 12.29           N
+ATOM    789  CA  TRP A  95      36.732  -4.642  15.104  1.00 13.40           C
+ATOM    790  C   TRP A  95      37.762  -5.496  15.825  1.00 20.26           C
+ATOM    791  O   TRP A  95      37.769  -5.566  17.056  1.00 27.16           O
+ATOM    792  CB  TRP A  95      37.002  -3.162  15.393  1.00 15.49           C
+ATOM    793  CG  TRP A  95      38.421  -2.749  15.145  1.00 11.27           C
+ATOM    794  CD1 TRP A  95      39.126  -2.884  13.984  1.00 15.26           C
+ATOM    795  CD2 TRP A  95      39.310  -2.132  16.086  1.00 14.99           C
+ATOM    796  NE1 TRP A  95      40.399  -2.390  14.142  1.00 21.95           N
+ATOM    797  CE2 TRP A  95      40.539  -1.922  15.423  1.00 14.68           C
+ATOM    798  CE3 TRP A  95      39.186  -1.735  17.425  1.00 20.80           C
+ATOM    799  CZ2 TRP A  95      41.640  -1.332  16.053  1.00 17.71           C
+ATOM    800  CZ3 TRP A  95      40.283  -1.147  18.053  1.00 20.40           C
+ATOM    801  CH2 TRP A  95      41.493  -0.953  17.364  1.00 12.57           C
+ATOM    802  N   ASP A  96      38.614  -6.161  15.056  1.00 19.31           N
+ATOM    803  CA  ASP A  96      39.659  -6.994  15.633  1.00 38.22           C
+ATOM    804  C   ASP A  96      40.954  -6.186  15.715  1.00 41.70           C
+ATOM    805  O   ASP A  96      41.881  -6.473  14.927  1.00 61.54           O
+ATOM    806  CB  ASP A  96      39.880  -8.243  14.780  1.00 35.17           C
+ATOM    807  CG  ASP A  96      40.806  -9.240  15.444  1.00 45.90           C
+ATOM    808  OD1 ASP A  96      41.919  -8.840  15.843  1.00 33.75           O
+ATOM    809  OD2 ASP A  96      40.421 -10.422  15.568  1.00 45.64           O
+TER     810      ASP A  96
+HETATM  811 NA    NA A 100      16.750  -5.880   8.209  1.00 15.25          NA
+HETATM  812  O   HOH A 101      27.570   5.718  13.490  1.00  8.12           O
+HETATM  813  O   HOH A 102      32.347   3.959  -1.793  1.00 10.51           O
+HETATM  814  O   HOH A 103      42.468   0.333   3.154  1.00 11.57           O
+HETATM  815  O   HOH A 104      17.601  -2.451   2.829  1.00  8.71           O
+HETATM  816  O   HOH A 105      33.179  -5.549   2.885  1.00  6.83           O
+HETATM  817  O   HOH A 106      14.609  -6.255  -1.884  1.00 10.37           O
+HETATM  818  O   HOH A 107      23.081   0.472  12.523  1.00 12.98           O
+HETATM  819  O   HOH A 108      21.490 -12.319   4.822  1.00 11.69           O
+HETATM  820  O   HOH A 109      21.395   4.660  13.135  1.00 20.47           O
+HETATM  821  O   HOH A 110      25.401  -9.832  14.751  1.00 15.91           O
+HETATM  822  O   HOH A 111      39.991   1.644   3.370  1.00 13.53           O
+HETATM  823  O   HOH A 112      19.068 -12.332   7.479  1.00 14.01           O
+HETATM  824  O   HOH A 113      40.222   3.908   4.778  1.00 15.93           O
+HETATM  825  O   HOH A 114      36.048  -7.258   9.945  1.00 14.12           O
+HETATM  826  O   HOH A 115      35.826  11.006  14.744  1.00 18.68           O
+HETATM  827  O   HOH A 116      31.011  -1.745  20.387  1.00 18.41           O
+HETATM  828  O   HOH A 117      43.587   9.292  16.111  1.00 10.88           O
+HETATM  829  O   HOH A 118      30.334 -10.080   6.018  1.00 16.94           O
+HETATM  830  O   HOH A 119      28.883   1.572  27.253  1.00 29.66           O
+HETATM  831  O   HOH A 120      33.766  10.336  16.272  1.00 16.67           O
+HETATM  832  O   HOH A 121      50.955   5.653  14.539  1.00 17.03           O
+HETATM  833  O   HOH A 122      26.881   0.787 -13.651  1.00 20.86           O
+HETATM  834  O   HOH A 123      15.888  -3.791   7.376  1.00 11.91           O
+HETATM  835  O   HOH A 124      19.819  -0.406  -8.460  1.00 10.92           O
+HETATM  836  O   HOH A 125      37.751   6.451  20.183  1.00 16.41           O
+HETATM  837  O   HOH A 126      34.269   2.202  -1.178  1.00 20.31           O
+HETATM  838  O   HOH A 127      19.996 -14.562   4.862  1.00  8.01           O
+HETATM  839  O   HOH A 128      31.157  10.896  -0.579  1.00 25.57           O
+HETATM  840  O   HOH A 129      14.565  -0.222  -1.948  1.00 18.80           O
+HETATM  841  O   HOH A 130      36.470  -3.957  -3.050  1.00 29.72           O
+HETATM  842  O   HOH A 131      19.538 -12.500  11.216  1.00 32.11           O
+HETATM  843  O   HOH A 132      32.004   7.777  -3.502  1.00 16.84           O
+HETATM  844  O   HOH A 133      29.484  10.108  -3.934  1.00 22.54           O
+HETATM  845  O   HOH A 134      16.375  -5.097  -7.770  1.00 17.93           O
+HETATM  846  O   HOH A 135      45.422   5.168  17.896  1.00 16.14           O
+HETATM  847  O   HOH A 136      32.649 -10.068  14.698  1.00 19.22           O
+HETATM  848  O   HOH A 137      29.286  -9.516  16.775  1.00 35.36           O
+HETATM  849  O   HOH A 138      15.083  -7.279   7.213  1.00 16.86           O
+HETATM  850  O   HOH A 139      22.162 -10.383  11.088  1.00 22.87           O
+HETATM  851  O   HOH A 140      28.815   9.376  -0.939  1.00 24.32           O
+HETATM  852  O   HOH A 141      15.320  -6.331  10.480  1.00 26.51           O
+HETATM  853  O   HOH A 142      36.311  -6.684   0.169  1.00 26.80           O
+HETATM  854  O   HOH A 143      14.799  -6.990  13.091  1.00 33.24           O
+HETATM  855  O   HOH A 144      50.529   3.062  15.371  1.00 28.25           O
+HETATM  856  O   HOH A 145      35.191   6.733  19.243  1.00 20.64           O
+HETATM  857  O   HOH A 146      23.225  -2.888  18.867  1.00 25.34           O
+HETATM  858  O   HOH A 147      22.940 -10.590  13.837  1.00 28.02           O
+HETATM  859  O   HOH A 148      35.179   8.202  17.073  1.00 27.22           O
+HETATM  860  O   HOH A 149      37.316  -3.828  19.446  1.00 15.87           O
+HETATM  861  O   HOH A 150      17.370   0.139   9.238  1.00 20.64           O
+HETATM  862  O   HOH A 151      15.745  -5.280  -4.415  1.00 20.45           O
+HETATM  863  O   HOH A 152      21.603 -12.254   9.269  1.00 39.10           O
+HETATM  864  O   HOH A 153      31.512  -5.149  -9.681  1.00 21.30           O
+HETATM  865  O   HOH A 154      23.353 -12.930   6.767  1.00 16.78           O
+HETATM  866  O   HOH A 155      38.981   4.672  23.177  1.00 31.98           O
+HETATM  867  O   HOH A 156      30.741   4.766  24.022  1.00 25.76           O
+HETATM  868  O   HOH A 157      47.348   0.711  15.003  1.00 31.26           O
+HETATM  869  O   HOH A 158      40.859   5.556   6.768  1.00 26.22           O
+HETATM  870  O   HOH A 159      24.920  -6.644  -5.622  1.00 28.49           O
+HETATM  871  O   HOH A 160      42.689  -3.341  11.282  1.00 13.20           O
+HETATM  872  O   HOH A 161      43.450  -4.282   8.872  1.00 16.03           O
+HETATM  873  O   HOH A 162      41.366  -5.599  12.248  1.00 28.32           O
+HETATM  874  O   HOH A 163      37.539  11.948  11.093  1.00 16.78           O
+HETATM  875  O   HOH A 164      30.470  11.076  18.503  1.00 24.84           O
+HETATM  876  O   HOH A 165      38.656  -6.463   7.908  1.00 24.11           O
+HETATM  877  O   HOH A 166      22.859   7.860  18.955  1.00 27.98           O
+HETATM  878  O   HOH A 167      19.483  -1.627  15.208  1.00 19.63           O
+HETATM  879  O   HOH A 168      34.233  -9.382   8.181  1.00 21.53           O
+HETATM  880  O   HOH A 169      28.970   9.577  20.204  1.00 24.25           O
+HETATM  881  O   HOH A 170      25.090  -2.159 -14.529  1.00 20.05           O
+HETATM  882  O   HOH A 171      53.044  11.300   9.946  1.00 28.11           O
+HETATM  883  O   HOH A 172      23.760   0.694  20.314  1.00 23.87           O
+HETATM  884  O   HOH A 173      36.689   3.227  -0.745  1.00 25.94           O
+HETATM  885  O   HOH A 174      13.143  -5.401 -10.333  1.00 26.51           O
+HETATM  886  O   HOH A 175      25.428  -8.920   5.666  1.00 22.87           O
+HETATM  887  O   HOH A 176      37.854   0.125   0.233  0.50 18.09           O
+HETATM  888  O   HOH A 177      51.471  12.069  12.709  1.00 32.91           O
+HETATM  889  O   HOH A 178      38.418  -6.752  12.554  1.00 25.99           O
+HETATM  890  O   HOH A 179      15.106  -1.805   0.979  1.00 15.92           O
+HETATM  891  O   HOH A 180      13.640  -4.196  -0.586  1.00 21.29           O
+HETATM  892  O   HOH A 181      31.574  11.766   3.560  1.00 27.86           O
+HETATM  893  O   HOH A 182      18.112  -0.216   6.606  1.00 29.48           O
+HETATM  894  O   HOH A 183      45.311   1.241  12.154  1.00 17.03           O
+HETATM  895  O   HOH A 184      27.210   7.357  23.936  1.00 29.09           O
+HETATM  896  O   HOH A 185      15.746  -4.442  12.629  1.00 28.14           O
+HETATM  897  O   HOH A 186      44.818   0.360  15.680  1.00 20.79           O
+HETATM  898  O   HOH A 187      45.295   8.001  17.691  1.00 36.02           O
+HETATM  899  O   HOH A 188      12.926   3.195   0.724  1.00 24.33           O
+HETATM  900  O   HOH A 189      16.405  -1.555   5.134  1.00 29.40           O
+HETATM  901  O   HOH A 190      37.111   9.954  18.786  1.00 34.22           O
+HETATM  902  O   HOH A 191      34.359  11.528   2.727  1.00 40.57           O
+HETATM  903  O   HOH A 192      42.172  -5.220   6.490  1.00 21.00           O
+HETATM  904  O   HOH A 193      32.443   4.036  26.249  1.00 42.07           O
+HETATM  905  O   HOH A 194      28.949 -10.732  12.970  1.00 34.78           O
+HETATM  906  O   HOH A 195      21.600  -4.764  17.572  1.00 35.35           O
+HETATM  907  O   HOH A 196      15.985  -7.726 -11.734  1.00 21.50           O
+HETATM  908  O   HOH A 197      26.970  -1.815  25.673  1.00 32.86           O
+HETATM  909  O   HOH A 198      22.124  -7.793  16.334  1.00 25.24           O
+HETATM  910  O   HOH A 199      25.284   6.901  21.278  1.00 27.03           O
+HETATM  911  O   HOH A 200      26.957   3.158  28.081  1.00 29.22           O
+HETATM  912  O   HOH A 201      28.369  11.465   2.295  1.00 35.05           O
+HETATM  913  O   HOH A 202      31.934  -6.634  -5.393  1.00 27.66           O
+HETATM  914  O   HOH A 203      18.470  -5.133   9.301  1.00 17.27           O
+CONECT  211  674
+CONECT  674  211
+CONECT  704  811
+CONECT  728  811
+CONECT  811  704  728  834  849
+CONECT  811  852  914
+CONECT  834  811
+CONECT  849  811
+CONECT  852  811
+CONECT  914  811
+MASTER      266    0    1    1    8    0    2    6  913    1   10    8
+END
diff --git a/tests/protein_ligand/test_data/3v1w.pdb b/tests/protein_ligand/test_data/3v1w.pdb
index a780f95a1..863569a79 100644
--- a/tests/protein_ligand/test_data/3v1w.pdb
+++ b/tests/protein_ligand/test_data/3v1w.pdb
@@ -1,4072 +1,4072 @@
-HEADER    CALCIUM BINDING PROTEIN                 10-DEC-11   3V1W              
-TITLE     MOLECULAR BASIS FOR MULTIPLE LIGAND BINDING OF CALSEQUESTRIN AND      
-TITLE    2 POTENTIAL INHIBITION BY CAFFEINE AND GALLOCATECIN                    
-COMPND    MOL_ID: 1;                                                            
-COMPND   2 MOLECULE: CALSEQUESTRIN-1;                                           
-COMPND   3 CHAIN: A;                                                            
-COMPND   4 SYNONYM: ASPARTACTIN, CALSEQUESTRIN, SKELETAL MUSCLE ISOFORM,        
-COMPND   5 LAMININ-BINDING PROTEIN                                              
-SOURCE    MOL_ID: 1;                                                            
-SOURCE   2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS;                          
-SOURCE   3 ORGANISM_COMMON: EUROPEAN RABBIT,JAPANESE WHITE RABBIT,DOMESTIC      
-SOURCE   4 RABBIT,RABBITS;                                                      
-SOURCE   5 ORGANISM_TAXID: 9986                                                 
-KEYWDS    THIOREDOXIN FOLD, CALCIUM BINDING PROTEIN                             
-EXPDTA    X-RAY DIFFRACTION                                                     
-AUTHOR    A.K.SUBRAMANIAN,M.N.NISSEN,K.M.LEWIS,E.J.SANCHEZ,A.K.MURALIDHARAN,    
-AUTHOR   2 C.KANG                                                               
-REVDAT   2   29-JUL-20 3V1W    1       COMPND REMARK HETNAM LINK                
-REVDAT   2 2                   1       SITE   ATOM                              
-REVDAT   1   12-DEC-12 3V1W    0                                                
-JRNL        AUTH   A.K.SUBRAMANIAN,M.N.NISSEN,K.M.LEWIS,E.J.SANCHEZ,            
-JRNL        AUTH 2 A.K.MURALIDHARAN,C.KANG                                      
-JRNL        TITL   MOLECULAR BASIS FOR MULTIPLE LIGAND BINDING OF CALSEQUESTRIN 
-JRNL        TITL 2 AND POTENTIAL INHIBITION BY CAFFEINE AND GALLOCATECIN        
-JRNL        REF    TO BE PUBLISHED                                              
-JRNL        REFN                                                                
-REMARK   2                                                                      
-REMARK   2 RESOLUTION.    1.91 ANGSTROMS.                                       
-REMARK   3                                                                      
-REMARK   3 REFINEMENT.                                                          
-REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.6.1_357)                    
-REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
-REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
-REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
-REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
-REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
-REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
-REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
-REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
-REMARK   3                                                                      
-REMARK   3    REFINEMENT TARGET : ML                                            
-REMARK   3                                                                      
-REMARK   3  DATA USED IN REFINEMENT.                                            
-REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.91                           
-REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 38.95                          
-REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.160                          
-REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.6                           
-REMARK   3   NUMBER OF REFLECTIONS             : 36846                          
-REMARK   3                                                                      
-REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
-REMARK   3   R VALUE     (WORKING + TEST SET) : 0.174                           
-REMARK   3   R VALUE            (WORKING SET) : 0.171                           
-REMARK   3   FREE R VALUE                     : 0.222                           
-REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.380                           
-REMARK   3   FREE R VALUE TEST SET COUNT      : 1981                            
-REMARK   3                                                                      
-REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
-REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
-REMARK   3     1 38.9578 -  4.5963    0.99     2671   153  0.1727 0.2257        
-REMARK   3     2  4.5963 -  3.6491    1.00     2574   145  0.1469 0.1773        
-REMARK   3     3  3.6491 -  3.1880    1.00     2530   145  0.1517 0.2024        
-REMARK   3     4  3.1880 -  2.8967    1.00     2531   144  0.1805 0.1953        
-REMARK   3     5  2.8967 -  2.6891    1.00     2512   142  0.1880 0.2614        
-REMARK   3     6  2.6891 -  2.5306    0.99     2509   142  0.1832 0.2462        
-REMARK   3     7  2.5306 -  2.4039    0.99     2506   142  0.1870 0.2492        
-REMARK   3     8  2.4039 -  2.2992    0.99     2464   141  0.1707 0.2306        
-REMARK   3     9  2.2992 -  2.2107    0.99     2469   140  0.1799 0.2392        
-REMARK   3    10  2.2107 -  2.1345    0.98     2465   139  0.1673 0.2579        
-REMARK   3    11  2.1345 -  2.0677    0.99     2465   140  0.1730 0.2388        
-REMARK   3    12  2.0677 -  2.0086    0.98     2443   139  0.1695 0.2721        
-REMARK   3    13  2.0086 -  1.9557    0.98     2442   138  0.1840 0.2291        
-REMARK   3    14  1.9557 -  1.9080    0.92     2284   131  0.1795 0.2529        
-REMARK   3                                                                      
-REMARK   3  BULK SOLVENT MODELLING.                                             
-REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
-REMARK   3   SOLVENT RADIUS     : 1.11                                          
-REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
-REMARK   3   K_SOL              : 0.33                                          
-REMARK   3   B_SOL              : 42.83                                         
-REMARK   3                                                                      
-REMARK   3  ERROR ESTIMATES.                                                    
-REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.240            
-REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.040           
-REMARK   3                                                                      
-REMARK   3  B VALUES.                                                           
-REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
-REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
-REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
-REMARK   3    B11 (A**2) : -3.99850                                             
-REMARK   3    B22 (A**2) : 1.32850                                              
-REMARK   3    B33 (A**2) : 2.67000                                              
-REMARK   3    B12 (A**2) : 0.00000                                              
-REMARK   3    B13 (A**2) : 0.00000                                              
-REMARK   3    B23 (A**2) : 0.00000                                              
-REMARK   3                                                                      
-REMARK   3  TWINNING INFORMATION.                                               
-REMARK   3   FRACTION: NULL                                                     
-REMARK   3   OPERATOR: NULL                                                     
-REMARK   3                                                                      
-REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
-REMARK   3                 RMSD          COUNT                                  
-REMARK   3   BOND      :  0.014           3018                                  
-REMARK   3   ANGLE     :  1.122           4139                                  
-REMARK   3   CHIRALITY :  0.082            443                                  
-REMARK   3   PLANARITY :  0.005            536                                  
-REMARK   3   DIHEDRAL  : 16.311           1128                                  
-REMARK   3                                                                      
-REMARK   3  TLS DETAILS                                                         
-REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
-REMARK   3                                                                      
-REMARK   3  NCS DETAILS                                                         
-REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
-REMARK   3                                                                      
-REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
-REMARK   4                                                                      
-REMARK   4 3V1W COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
-REMARK 100                                                                      
-REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JAN-12.                  
-REMARK 100 THE DEPOSITION ID IS D_1000069490.                                   
-REMARK 200                                                                      
-REMARK 200 EXPERIMENTAL DETAILS                                                 
-REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
-REMARK 200  DATE OF DATA COLLECTION        : NULL                               
-REMARK 200  TEMPERATURE           (KELVIN) : NULL                               
-REMARK 200  PH                             : NULL                               
-REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
-REMARK 200                                                                      
-REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
-REMARK 200  RADIATION SOURCE               : ALS                                
-REMARK 200  BEAMLINE                       : 8.2.1                              
-REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
-REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
-REMARK 200  WAVELENGTH OR RANGE        (A) : 1.000                              
-REMARK 200  MONOCHROMATOR                  : NULL                               
-REMARK 200  OPTICS                         : NULL                               
-REMARK 200                                                                      
-REMARK 200  DETECTOR TYPE                  : NULL                               
-REMARK 200  DETECTOR MANUFACTURER          : NULL                               
-REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
-REMARK 200  DATA SCALING SOFTWARE          : NULL                               
-REMARK 200                                                                      
-REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 36850                              
-REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.908                              
-REMARK 200  RESOLUTION RANGE LOW       (A) : 44.015                             
-REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
-REMARK 200                                                                      
-REMARK 200 OVERALL.                                                             
-REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
-REMARK 200  DATA REDUNDANCY                : NULL                               
-REMARK 200  R MERGE                    (I) : NULL                               
-REMARK 200  R SYM                      (I) : NULL                               
-REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
-REMARK 200                                                                      
-REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
-REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
-REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
-REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
-REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
-REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
-REMARK 200  R SYM FOR SHELL            (I) : NULL                               
-REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
-REMARK 200                                                                      
-REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
-REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
-REMARK 200 SOFTWARE USED: NULL                                                  
-REMARK 200 STARTING MODEL: PDB ENTRY 3TRQ                                       
-REMARK 200                                                                      
-REMARK 200 REMARK: NULL                                                         
-REMARK 280                                                                      
-REMARK 280 CRYSTAL                                                              
-REMARK 280 SOLVENT CONTENT, VS   (%): 55.92                                     
-REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.79                     
-REMARK 280                                                                      
-REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
-REMARK 290                                                                      
-REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
-REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21                         
-REMARK 290                                                                      
-REMARK 290      SYMOP   SYMMETRY                                                
-REMARK 290     NNNMMM   OPERATOR                                                
-REMARK 290       1555   X,Y,Z                                                   
-REMARK 290       2555   -X,-Y,Z+1/2                                             
-REMARK 290       3555   -X,Y,-Z+1/2                                             
-REMARK 290       4555   X,-Y,-Z                                                 
-REMARK 290       5555   X+1/2,Y+1/2,Z                                           
-REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
-REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
-REMARK 290       8555   X+1/2,-Y+1/2,-Z                                         
-REMARK 290                                                                      
-REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
-REMARK 290           MMM -> TRANSLATION VECTOR                                  
-REMARK 290                                                                      
-REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
-REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
-REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
-REMARK 290 RELATED MOLECULES.                                                   
-REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
-REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
-REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       55.48250            
-REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
-REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
-REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       55.48250            
-REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
-REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
-REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
-REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       29.54100            
-REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       72.29600            
-REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000            
-REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       29.54100            
-REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       72.29600            
-REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       55.48250            
-REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       29.54100            
-REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       72.29600            
-REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       55.48250            
-REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       29.54100            
-REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       72.29600            
-REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
-REMARK 290                                                                      
-REMARK 290 REMARK: NULL                                                         
-REMARK 300                                                                      
-REMARK 300 BIOMOLECULE: 1, 2                                                    
-REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
-REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
-REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
-REMARK 300 BURIED SURFACE AREA.                                                 
-REMARK 350                                                                      
-REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
-REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
-REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
-REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
-REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
-REMARK 350                                                                      
-REMARK 350 BIOMOLECULE: 1                                                       
-REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
-REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
-REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 350                                                                      
-REMARK 350 BIOMOLECULE: 2                                                       
-REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
-REMARK 350 SOFTWARE USED: PISA                                                  
-REMARK 350 TOTAL BURIED SURFACE AREA: 9120 ANGSTROM**2                          
-REMARK 350 SURFACE AREA OF THE COMPLEX: 34060 ANGSTROM**2                       
-REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -195.0 KCAL/MOL                       
-REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
-REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 350   BIOMT1   2 -1.000000  0.000000  0.000000       59.08200            
-REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000        0.00000            
-REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000      166.44750            
-REMARK 465                                                                      
-REMARK 465 MISSING RESIDUES                                                     
-REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
-REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
-REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
-REMARK 465                                                                      
-REMARK 465   M RES C SSSEQI                                                     
-REMARK 465     GLU A     1                                                      
-REMARK 465     ILE A   351                                                      
-REMARK 465     ASN A   352                                                      
-REMARK 465     THR A   353                                                      
-REMARK 465     GLU A   354                                                      
-REMARK 465     ASP A   355                                                      
-REMARK 465     ASP A   356                                                      
-REMARK 465     ASP A   357                                                      
-REMARK 465     ASP A   358                                                      
-REMARK 465     GLU A   359                                                      
-REMARK 465     ASP A   360                                                      
-REMARK 465     ASP A   361                                                      
-REMARK 465     ASP A   362                                                      
-REMARK 465     ASP A   363                                                      
-REMARK 465     ASP A   364                                                      
-REMARK 465     ASP A   365                                                      
-REMARK 465     ASP A   366                                                      
-REMARK 465     ASP A   367                                                      
-REMARK 470                                                                      
-REMARK 470 MISSING ATOM                                                         
-REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
-REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
-REMARK 470 I=INSERTION CODE):                                                   
-REMARK 470   M RES CSSEQI  ATOMS                                                
-REMARK 470     GLU A   2    CG   CD   OE1  OE2                                  
-REMARK 470     GLU A 350    CG   CD   OE1  OE2                                  
-REMARK 480                                                                      
-REMARK 480 ZERO OCCUPANCY ATOM                                                  
-REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO                  
-REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS                
-REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;              
-REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
-REMARK 480   M RES C SSEQI ATOMS                                                
-REMARK 480     GLU A  348   CD                                                  
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
-REMARK 500                                                                      
-REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
-REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
-REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
-REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
-REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
-REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
-REMARK 500                                                                      
-REMARK 500 DISTANCE CUTOFF:                                                     
-REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
-REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
-REMARK 500                                                                      
-REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
-REMARK 500   OE2  GLU A    52     OE2  GLU A    52     3656     2.16            
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: TORSION ANGLES                                             
-REMARK 500                                                                      
-REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
-REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
-REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
-REMARK 500                                                                      
-REMARK 500 STANDARD TABLE:                                                      
-REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
-REMARK 500                                                                      
-REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
-REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI        PSI       PHI                                   
-REMARK 500    GLU A  78      -64.58   -103.97                                   
-REMARK 500    GLU A 100     -115.64     50.81                                   
-REMARK 500    ASP A 210       34.34     70.53                                   
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 620                                                                      
-REMARK 620 METAL COORDINATION                                                   
-REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
-REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                              CA A 406  CA                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 ASN A  17   OD1                                                    
-REMARK 620 2 VAL A  18   O   110.2                                              
-REMARK 620 3 LEU A  74   O   123.3  88.7                                        
-REMARK 620 4 ASP A  80   OD2 118.2  82.5 116.9                                  
-REMARK 620 5 HOH A 501   O    76.8 172.7  88.8  92.5                            
-REMARK 620 N                    1     2     3     4                             
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                              NA A 410  NA                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 PRO A 172   O                                                      
-REMARK 620 2 HOH A 856   O    83.2                                              
-REMARK 620 3 HOH A 865   O    95.4 102.2                                        
-REMARK 620 4 HOH A 874   O   160.2  78.2  81.9                                  
-REMARK 620 5 HOH A 924   O    98.0  77.1 166.3  84.5                            
-REMARK 620 6 HOH A1007   O   114.5 159.5  86.8  85.0  89.9                      
-REMARK 620 N                    1     2     3     4     5                       
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                              CA A 408  CA                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 THR A 189   O                                                      
-REMARK 620 2 THR A 189   OG1  68.5                                              
-REMARK 620 3 HOH A 520   O    89.6 128.8                                        
-REMARK 620 4 HOH A 581   O   130.7  80.2  81.3                                  
-REMARK 620 5 HOH A 621   O    65.7 125.4  78.8 154.1                            
-REMARK 620 6 HOH A 876   O   117.5 100.0 130.7 104.3  77.1                      
-REMARK 620 N                    1     2     3     4     5                       
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                              CA A 407  CA                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 GLU A 199   OE1                                                    
-REMARK 620 2 GLU A 199   OE2  53.5                                              
-REMARK 620 3 THR A 229   OG1 131.4  77.9                                        
-REMARK 620 4 THR A 277   OG1  81.1  94.4 103.2                                  
-REMARK 620 5 THR A 277   O   139.9 160.3  86.6  77.1                            
-REMARK 620 6 HOH A 731   O    83.0 133.0 142.6  95.6  66.3                      
-REMARK 620 7 HOH A 875   O    99.0 107.4  96.8 153.1  86.4  57.9                
-REMARK 620 N                    1     2     3     4     5     6                 
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                              CA A 409  CA                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 ASP A 210   O                                                      
-REMARK 620 2 PRO A 212   O    81.7                                              
-REMARK 620 3 GLU A 217   OE1 113.4  95.2                                        
-REMARK 620 4 GLU A 217   OE2 117.3 143.6  49.5                                  
-REMARK 620 5 HOH A 660   O   158.3  80.2  80.2  84.3                            
-REMARK 620 6 HOH A 943   O   100.9 154.7 106.5  57.0  90.5                      
-REMARK 620 7 HOH A1008   O    83.6  82.8 162.5 127.5  82.4  72.6                
-REMARK 620 N                    1     2     3     4     5     6                 
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                              NA A 411  NA                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 GLY A 248   O                                                      
-REMARK 620 2 ASN A 316   OD1  76.1                                              
-REMARK 620 3 THR A 318   OG1 132.4  75.7                                        
-REMARK 620 4 HOH A1009   O   120.7 116.6 106.1                                  
-REMARK 620 N                    1     2     3                                   
-DBREF  3V1W A    1   367  UNP    P07221   CASQ1_RABIT     29    395             
-SEQRES   1 A  367  GLU GLU GLY LEU ASP PHE PRO GLU TYR ASP GLY VAL ASP          
-SEQRES   2 A  367  ARG VAL ILE ASN VAL ASN ALA LYS ASN TYR LYS ASN VAL          
-SEQRES   3 A  367  PHE LYS LYS TYR GLU VAL LEU ALA LEU LEU TYR HIS GLU          
-SEQRES   4 A  367  PRO PRO GLU ASP ASP LYS ALA SER GLN ARG GLN PHE GLU          
-SEQRES   5 A  367  MET GLU GLU LEU ILE LEU GLU LEU ALA ALA GLN VAL LEU          
-SEQRES   6 A  367  GLU ASP LYS GLY VAL GLY PHE GLY LEU VAL ASP SER GLU          
-SEQRES   7 A  367  LYS ASP ALA ALA VAL ALA LYS LYS LEU GLY LEU THR GLU          
-SEQRES   8 A  367  GLU ASP SER ILE TYR VAL PHE LYS GLU ASP GLU VAL ILE          
-SEQRES   9 A  367  GLU TYR ASP GLY GLU PHE SER ALA ASP THR LEU VAL GLU          
-SEQRES  10 A  367  PHE LEU LEU ASP VAL LEU GLU ASP PRO VAL GLU LEU ILE          
-SEQRES  11 A  367  GLU GLY GLU ARG GLU LEU GLN ALA PHE GLU ASN ILE GLU          
-SEQRES  12 A  367  ASP GLU ILE LYS LEU ILE GLY TYR PHE LYS ASN LYS ASP          
-SEQRES  13 A  367  SER GLU HIS TYR LYS ALA PHE LYS GLU ALA ALA GLU GLU          
-SEQRES  14 A  367  PHE HIS PRO TYR ILE PRO PHE PHE ALA THR PHE ASP SER          
-SEQRES  15 A  367  LYS VAL ALA LYS LYS LEU THR LEU LYS LEU ASN GLU ILE          
-SEQRES  16 A  367  ASP PHE TYR GLU ALA PHE MET GLU GLU PRO VAL THR ILE          
-SEQRES  17 A  367  PRO ASP LYS PRO ASN SER GLU GLU GLU ILE VAL ASN PHE          
-SEQRES  18 A  367  VAL GLU GLU HIS ARG ARG SER THR LEU ARG LYS LEU LYS          
-SEQRES  19 A  367  PRO GLU SER MET TYR GLU THR TRP GLU ASP ASP MET ASP          
-SEQRES  20 A  367  GLY ILE HIS ILE VAL ALA PHE ALA GLU GLU ALA ASP PRO          
-SEQRES  21 A  367  ASP GLY TYR GLU PHE LEU GLU ILE LEU LYS SER VAL ALA          
-SEQRES  22 A  367  GLN ASP ASN THR ASP ASN PRO ASP LEU SER ILE ILE TRP          
-SEQRES  23 A  367  ILE ASP PRO ASP ASP PHE PRO LEU LEU VAL PRO TYR TRP          
-SEQRES  24 A  367  GLU LYS THR PHE ASP ILE ASP LEU SER ALA PRO GLN ILE          
-SEQRES  25 A  367  GLY VAL VAL ASN VAL THR ASP ALA ASP SER VAL TRP MET          
-SEQRES  26 A  367  GLU MET ASP ASP GLU GLU ASP LEU PRO SER ALA GLU GLU          
-SEQRES  27 A  367  LEU GLU ASP TRP LEU GLU ASP VAL LEU GLU GLY GLU ILE          
-SEQRES  28 A  367  ASN THR GLU ASP ASP ASP ASP GLU ASP ASP ASP ASP ASP          
-SEQRES  29 A  367  ASP ASP ASP                                                  
-MODRES 3V1W ASN A  316  ASN  GLYCOSYLATION SITE                                 
-HET    NAG  B   1      14                                                       
-HET    NAG  B   2      14                                                       
-HET    MPD  A 403       8                                                       
-HET    MPD  A 404       8                                                       
-HET    MRD  A 405       8                                                       
-HET     CA  A 406       1                                                       
-HET     CA  A 407       1                                                       
-HET     CA  A 408       1                                                       
-HET     CA  A 409       1                                                       
-HET     NA  A 410       1                                                       
-HET     NA  A 411       1                                                       
-HETNAM     NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE                         
-HETNAM     MPD (4S)-2-METHYL-2,4-PENTANEDIOL                                    
-HETNAM     MRD (4R)-2-METHYLPENTANE-2,4-DIOL                                    
-HETNAM      CA CALCIUM ION                                                      
-HETNAM      NA SODIUM ION                                                       
-FORMUL   2  NAG    2(C8 H15 N O6)                                               
-FORMUL   3  MPD    2(C6 H14 O2)                                                 
-FORMUL   5  MRD    C6 H14 O2                                                    
-FORMUL   6   CA    4(CA 2+)                                                     
-FORMUL  10   NA    2(NA 1+)                                                     
-FORMUL  12  HOH   *514(H2 O)                                                    
-HELIX    1   1 ASN A   22  TYR A   30  1                                   9    
-HELIX    2   2 ASP A   44  LEU A   65  1                                  22    
-HELIX    3   3 ASP A   80  GLY A   88  1                                   9    
-HELIX    4   4 SER A  111  GLU A  124  1                                  14    
-HELIX    5   5 GLY A  132  ILE A  142  1                                  11    
-HELIX    6   6 SER A  157  HIS A  171  1                                  15    
-HELIX    7   7 ASP A  181  THR A  189  1                                   9    
-HELIX    8   8 SER A  214  HIS A  225  1                                  12    
-HELIX    9   9 LYS A  234  GLU A  236  5                                   3    
-HELIX   10  10 SER A  237  ASP A  244  1                                   8    
-HELIX   11  11 ASP A  259  ASN A  276  1                                  18    
-HELIX   12  12 ASP A  288  PHE A  292  5                                   5    
-HELIX   13  13 LEU A  295  ASP A  304  1                                  10    
-HELIX   14  14 SER A  335  GLU A  350  1                                  16    
-SHEET    1   A 5 ILE A  16  ASN A  17  0                                        
-SHEET    2   A 5 VAL A  70  ASP A  76  1  O  PHE A  72   N  ILE A  16           
-SHEET    3   A 5 VAL A  32  HIS A  38  1  N  LEU A  36   O  VAL A  75           
-SHEET    4   A 5 SER A  94  LYS A  99 -1  O  TYR A  96   N  LEU A  35           
-SHEET    5   A 5 GLU A 102  GLU A 105 -1  O  ILE A 104   N  VAL A  97           
-SHEET    1   B 5 VAL A 127  LEU A 129  0                                        
-SHEET    2   B 5 PHE A 176  THR A 179  1  O  PHE A 176   N  GLU A 128           
-SHEET    3   B 5 LYS A 147  TYR A 151  1  N  LEU A 148   O  PHE A 177           
-SHEET    4   B 5 ILE A 195  TYR A 198 -1  O  TYR A 198   N  LYS A 147           
-SHEET    5   B 5 VAL A 206  THR A 207 -1  O  VAL A 206   N  PHE A 197           
-SHEET    1   C 5 LEU A 230  LYS A 232  0                                        
-SHEET    2   C 5 ILE A 284  ILE A 287  1  O  TRP A 286   N  ARG A 231           
-SHEET    3   C 5 ILE A 249  PHE A 254  1  N  ALA A 253   O  ILE A 287           
-SHEET    4   C 5 GLN A 311  ASN A 316 -1  O  VAL A 315   N  HIS A 250           
-SHEET    5   C 5 SER A 322  TRP A 324 -1  O  VAL A 323   N  VAL A 314           
-LINK         ND2 ASN A 316                 C1  NAG B   1     1555   1555  1.41  
-LINK         O4  NAG B   1                 C1  NAG B   2     1555   1555  1.44  
-LINK         OD1 ASN A  17                CA    CA A 406     1555   1555  2.30  
-LINK         O   VAL A  18                CA    CA A 406     1555   1555  2.50  
-LINK         O   LEU A  74                CA    CA A 406     1555   1555  2.46  
-LINK         OD2 ASP A  80                CA    CA A 406     1555   1555  2.47  
-LINK         O   PRO A 172                NA    NA A 410     1555   1555  2.15  
-LINK         O   THR A 189                CA    CA A 408     1555   1555  2.23  
-LINK         OG1 THR A 189                CA    CA A 408     1555   1555  2.57  
-LINK         OE1 GLU A 199                CA    CA A 407     1555   1555  2.43  
-LINK         OE2 GLU A 199                CA    CA A 407     1555   1555  2.45  
-LINK         O   ASP A 210                CA    CA A 409     1555   1555  2.36  
-LINK         O   PRO A 212                CA    CA A 409     1555   1555  2.40  
-LINK         OE1 GLU A 217                CA    CA A 409     1555   1555  2.44  
-LINK         OE2 GLU A 217                CA    CA A 409     1555   1555  2.71  
-LINK         OG1 THR A 229                CA    CA A 407     1555   1555  2.41  
-LINK         O   GLY A 248                NA    NA A 411     1555   1555  3.16  
-LINK         OG1 THR A 277                CA    CA A 407     1555   1555  2.36  
-LINK         O   THR A 277                CA    CA A 407     1555   1555  2.49  
-LINK         OD1 ASN A 316                NA    NA A 411     1555   1555  3.03  
-LINK         OG1 THR A 318                NA    NA A 411     1555   1555  2.45  
-LINK        CA    CA A 406                 O   HOH A 501     1555   1555  2.56  
-LINK        CA    CA A 407                 O   HOH A 731     1555   1555  3.12  
-LINK        CA    CA A 407                 O   HOH A 875     1555   1555  2.35  
-LINK        CA    CA A 408                 O   HOH A 520     1555   1555  2.36  
-LINK        CA    CA A 408                 O   HOH A 581     1555   1555  2.40  
-LINK        CA    CA A 408                 O   HOH A 621     1555   1555  2.93  
-LINK        CA    CA A 408                 O   HOH A 876     1555   1555  2.35  
-LINK        CA    CA A 409                 O   HOH A 660     1555   1555  2.41  
-LINK        CA    CA A 409                 O   HOH A 943     1555   1555  2.26  
-LINK        CA    CA A 409                 O   HOH A1008     1555   1555  2.34  
-LINK        NA    NA A 410                 O   HOH A 856     1555   1555  2.47  
-LINK        NA    NA A 410                 O   HOH A 865     1555   1555  2.41  
-LINK        NA    NA A 410                 O   HOH A 874     1555   1555  2.47  
-LINK        NA    NA A 410                 O   HOH A 924     1555   1555  2.37  
-LINK        NA    NA A 410                 O   HOH A1007     1555   1555  2.32  
-LINK        NA    NA A 411                 O   HOH A1009     1555   1555  2.38  
-CISPEP   1 HIS A  171    PRO A  172          0        -2.19                     
-CISPEP   2 LYS A  211    PRO A  212          0        -3.70                     
-CRYST1   59.082  144.592  110.965  90.00  90.00  90.00 C 2 2 21      8          
-ORIGX1      1.000000  0.000000  0.000000        0.00000                         
-ORIGX2      0.000000  1.000000  0.000000        0.00000                         
-ORIGX3      0.000000  0.000000  1.000000        0.00000                         
-SCALE1      0.016926  0.000000  0.000000        0.00000                         
-SCALE2      0.000000  0.006916  0.000000        0.00000                         
-SCALE3      0.000000  0.000000  0.009012        0.00000                         
-ATOM      1  N   GLU A   2      37.639  75.551  57.223  1.00 54.70           N  
-ATOM      2  CA  GLU A   2      38.473  74.425  57.631  0.42 55.84           C  
-ATOM      3  C   GLU A   2      39.565  74.865  58.605  0.65 48.57           C  
-ATOM      4  O   GLU A   2      40.621  74.236  58.696  1.00 60.89           O  
-ATOM      5  CB  GLU A   2      39.102  73.751  56.407  1.00 56.73           C  
-ATOM      6  N   GLY A   3      39.304  75.945  59.333  0.89 49.01           N  
-ATOM      7  CA  GLY A   3      40.287  76.499  60.247  0.89 38.62           C  
-ATOM      8  C   GLY A   3      40.499  75.680  61.513  0.89 41.18           C  
-ATOM      9  O   GLY A   3      39.804  74.698  61.764  0.89 34.39           O  
-ATOM     10  N   LEU A   4      41.477  76.095  62.309  1.00 32.39           N  
-ATOM     11  CA  LEU A   4      41.758  75.475  63.596  1.00 36.71           C  
-ATOM     12  C   LEU A   4      40.543  75.611  64.522  1.00 40.40           C  
-ATOM     13  O   LEU A   4      39.932  76.677  64.591  1.00 39.19           O  
-ATOM     14  CB  LEU A   4      42.986  76.149  64.219  1.00 30.34           C  
-ATOM     15  CG  LEU A   4      43.604  75.540  65.471  1.00 41.72           C  
-ATOM     16  CD1 LEU A   4      44.181  74.170  65.155  1.00 53.66           C  
-ATOM     17  CD2 LEU A   4      44.679  76.452  66.002  1.00 39.62           C  
-ATOM     18  N   ASP A   5      40.190  74.531  65.219  1.00 37.30           N  
-ATOM     19  CA  ASP A   5      39.069  74.542  66.162  1.00 41.69           C  
-ATOM     20  C   ASP A   5      39.413  75.394  67.383  1.00 37.37           C  
-ATOM     21  O   ASP A   5      40.587  75.478  67.761  1.00 33.21           O  
-ATOM     22  CB  ASP A   5      38.763  73.119  66.660  1.00 39.31           C  
-ATOM     23  CG  ASP A   5      38.118  72.232  65.598  1.00 49.82           C  
-ATOM     24  OD1 ASP A   5      37.320  72.733  64.772  1.00 43.53           O  
-ATOM     25  OD2 ASP A   5      38.402  71.016  65.611  1.00 43.79           O  
-ATOM     26  N   PHE A   6      38.399  76.004  68.005  1.00 35.06           N  
-ATOM     27  CA  PHE A   6      38.567  76.577  69.342  1.00 29.88           C  
-ATOM     28  C   PHE A   6      38.984  75.443  70.262  1.00 32.27           C  
-ATOM     29  O   PHE A   6      38.686  74.280  69.981  1.00 28.18           O  
-ATOM     30  CB  PHE A   6      37.248  77.154  69.877  1.00 24.56           C  
-ATOM     31  CG  PHE A   6      36.982  78.573  69.470  1.00 34.87           C  
-ATOM     32  CD1 PHE A   6      37.366  79.626  70.285  1.00 31.20           C  
-ATOM     33  CD2 PHE A   6      36.329  78.859  68.279  1.00 37.95           C  
-ATOM     34  CE1 PHE A   6      37.119  80.937  69.914  1.00 30.63           C  
-ATOM     35  CE2 PHE A   6      36.078  80.171  67.903  1.00 33.30           C  
-ATOM     36  CZ  PHE A   6      36.468  81.209  68.719  1.00 29.24           C  
-ATOM     37  N   PRO A   7      39.664  75.765  71.372  1.00 35.08           N  
-ATOM     38  CA  PRO A   7      39.974  74.703  72.339  1.00 27.70           C  
-ATOM     39  C   PRO A   7      38.678  73.993  72.742  1.00 26.45           C  
-ATOM     40  O   PRO A   7      37.616  74.601  72.730  1.00 28.59           O  
-ATOM     41  CB  PRO A   7      40.542  75.478  73.536  1.00 33.04           C  
-ATOM     42  CG  PRO A   7      41.066  76.756  72.945  1.00 29.03           C  
-ATOM     43  CD  PRO A   7      40.140  77.088  71.814  1.00 30.08           C  
-ATOM     44  N   GLU A   8      38.757  72.712  73.076  1.00 25.95           N  
-ATOM     45  CA  GLU A   8      37.583  71.984  73.521  1.00 22.30           C  
-ATOM     46  C   GLU A   8      38.026  71.040  74.629  1.00 23.17           C  
-ATOM     47  O   GLU A   8      39.176  70.616  74.654  1.00 23.58           O  
-ATOM     48  CB  GLU A   8      37.004  71.153  72.377  1.00 21.41           C  
-ATOM     49  CG  GLU A   8      37.943  70.040  71.919  1.00 26.79           C  
-ATOM     50  CD  GLU A   8      37.375  69.196  70.779  1.00 40.03           C  
-ATOM     51  OE1 GLU A   8      36.327  69.574  70.206  1.00 30.90           O  
-ATOM     52  OE2 GLU A   8      37.982  68.146  70.468  1.00 35.35           O  
-ATOM     53  N   TYR A   9      37.113  70.705  75.530  1.00 18.38           N  
-ATOM     54  CA  TYR A   9      37.375  69.628  76.480  1.00 18.85           C  
-ATOM     55  C   TYR A   9      37.785  68.364  75.715  1.00 19.35           C  
-ATOM     56  O   TYR A   9      37.071  67.930  74.819  1.00 23.04           O  
-ATOM     57  CB  TYR A   9      36.118  69.351  77.301  1.00 21.66           C  
-ATOM     58  CG  TYR A   9      36.205  68.096  78.136  1.00 18.11           C  
-ATOM     59  CD1 TYR A   9      37.204  67.934  79.085  1.00 18.11           C  
-ATOM     60  CD2 TYR A   9      35.265  67.082  77.993  1.00 20.59           C  
-ATOM     61  CE1 TYR A   9      37.276  66.783  79.852  1.00 18.67           C  
-ATOM     62  CE2 TYR A   9      35.318  65.937  78.768  1.00 18.49           C  
-ATOM     63  CZ  TYR A   9      36.332  65.789  79.685  1.00 23.08           C  
-ATOM     64  OH  TYR A   9      36.390  64.639  80.439  1.00 22.27           O  
-ATOM     65  N   ASP A  10      38.919  67.774  76.072  1.00 22.25           N  
-ATOM     66  CA  ASP A  10      39.477  66.669  75.277  1.00 21.81           C  
-ATOM     67  C   ASP A  10      39.169  65.276  75.816  1.00 27.16           C  
-ATOM     68  O   ASP A  10      39.585  64.287  75.229  1.00 25.44           O  
-ATOM     69  CB  ASP A  10      40.985  66.832  75.073  1.00 23.77           C  
-ATOM     70  CG  ASP A  10      41.778  66.765  76.383  1.00 25.33           C  
-ATOM     71  OD1 ASP A  10      41.201  66.461  77.450  1.00 22.44           O  
-ATOM     72  OD2 ASP A  10      42.998  67.002  76.337  1.00 23.12           O  
-ATOM     73  N   GLY A  11      38.431  65.196  76.921  1.00 21.88           N  
-ATOM     74  CA  GLY A  11      38.067  63.907  77.486  1.00 23.37           C  
-ATOM     75  C   GLY A  11      39.220  63.125  78.098  1.00 20.79           C  
-ATOM     76  O   GLY A  11      39.083  61.941  78.407  1.00 26.05           O  
-ATOM     77  N   VAL A  12      40.354  63.779  78.302  1.00 22.52           N  
-ATOM     78  CA  VAL A  12      41.487  63.107  78.932  1.00 22.73           C  
-ATOM     79  C   VAL A  12      41.449  63.330  80.440  1.00 28.29           C  
-ATOM     80  O   VAL A  12      41.314  64.464  80.897  1.00 25.04           O  
-ATOM     81  CB  VAL A  12      42.804  63.602  78.335  1.00 25.65           C  
-ATOM     82  CG1 VAL A  12      44.008  63.095  79.142  1.00 30.12           C  
-ATOM     83  CG2 VAL A  12      42.904  63.183  76.861  1.00 31.60           C  
-ATOM     84  N   ASP A  13      41.543  62.256  81.220  1.00 23.68           N  
-ATOM     85  CA  ASP A  13      41.454  62.396  82.678  1.00 26.11           C  
-ATOM     86  C   ASP A  13      42.714  62.954  83.329  1.00 27.05           C  
-ATOM     87  O   ASP A  13      43.822  62.512  83.050  1.00 23.89           O  
-ATOM     88  CB  ASP A  13      41.030  61.095  83.340  1.00 27.77           C  
-ATOM     89  CG  ASP A  13      39.599  60.745  83.031  1.00 32.83           C  
-ATOM     90  OD1 ASP A  13      38.876  61.605  82.471  1.00 30.85           O  
-ATOM     91  OD2 ASP A  13      39.188  59.616  83.351  1.00 29.38           O  
-ATOM     92  N   ARG A  14      42.514  63.943  84.193  1.00 17.94           N  
-ATOM     93  CA  ARG A  14      43.587  64.704  84.806  1.00 20.32           C  
-ATOM     94  C   ARG A  14      43.381  64.806  86.310  1.00 21.80           C  
-ATOM     95  O   ARG A  14      44.310  65.096  87.051  1.00 22.85           O  
-ATOM     96  CB  ARG A  14      43.647  66.127  84.233  1.00 21.24           C  
-ATOM     97  CG  ARG A  14      44.023  66.225  82.764  1.00 22.26           C  
-ATOM     98  CD  ARG A  14      44.042  67.675  82.309  1.00 24.08           C  
-ATOM     99  NE  ARG A  14      44.529  67.790  80.942  1.00 24.58           N  
-ATOM    100  CZ  ARG A  14      43.806  67.552  79.851  1.00 24.06           C  
-ATOM    101  NH1 ARG A  14      42.537  67.191  79.951  1.00 20.60           N  
-ATOM    102  NH2 ARG A  14      44.368  67.674  78.644  1.00 24.11           N  
-ATOM    103  N   VAL A  15      42.150  64.603  86.753  1.00 21.96           N  
-ATOM    104  CA  VAL A  15      41.848  64.688  88.171  1.00 21.05           C  
-ATOM    105  C   VAL A  15      42.413  63.443  88.851  1.00 24.75           C  
-ATOM    106  O   VAL A  15      42.123  62.325  88.443  1.00 20.76           O  
-ATOM    107  CB  VAL A  15      40.346  64.791  88.397  1.00 18.80           C  
-ATOM    108  CG1 VAL A  15      40.019  64.799  89.889  1.00 23.91           C  
-ATOM    109  CG2 VAL A  15      39.805  66.061  87.689  1.00 17.92           C  
-ATOM    110  N   ILE A  16      43.222  63.660  89.876  1.00 21.00           N  
-ATOM    111  CA  ILE A  16      43.966  62.584  90.528  1.00 24.15           C  
-ATOM    112  C   ILE A  16      43.185  61.952  91.660  1.00 24.08           C  
-ATOM    113  O   ILE A  16      42.602  62.644  92.489  1.00 22.69           O  
-ATOM    114  CB  ILE A  16      45.267  63.119  91.118  1.00 23.72           C  
-ATOM    115  CG1 ILE A  16      46.169  63.670  90.021  1.00 23.99           C  
-ATOM    116  CG2 ILE A  16      45.990  62.040  91.959  1.00 26.01           C  
-ATOM    117  CD1 ILE A  16      47.105  64.717  90.553  1.00 25.51           C  
-ATOM    118  N   ASN A  17      43.183  60.628  91.694  1.00 26.34           N  
-ATOM    119  CA  ASN A  17      42.709  59.905  92.855  1.00 30.83           C  
-ATOM    120  C   ASN A  17      43.772  60.024  93.938  1.00 33.37           C  
-ATOM    121  O   ASN A  17      44.748  59.272  93.938  1.00 27.61           O  
-ATOM    122  CB  ASN A  17      42.473  58.440  92.498  1.00 36.45           C  
-ATOM    123  CG  ASN A  17      42.019  57.618  93.685  1.00 42.06           C  
-ATOM    124  OD1 ASN A  17      41.349  58.121  94.580  1.00 38.59           O  
-ATOM    125  ND2 ASN A  17      42.383  56.338  93.696  1.00 58.69           N  
-ATOM    126  N   VAL A  18      43.603  60.996  94.833  1.00 26.70           N  
-ATOM    127  CA  VAL A  18      44.575  61.247  95.889  1.00 23.99           C  
-ATOM    128  C   VAL A  18      44.410  60.179  96.983  1.00 33.73           C  
-ATOM    129  O   VAL A  18      43.301  59.936  97.476  1.00 29.56           O  
-ATOM    130  CB  VAL A  18      44.420  62.676  96.458  1.00 26.23           C  
-ATOM    131  CG1 VAL A  18      45.306  62.899  97.678  1.00 20.17           C  
-ATOM    132  CG2 VAL A  18      44.736  63.721  95.372  1.00 29.36           C  
-ATOM    133  N   ASN A  19      45.506  59.520  97.344  1.00 30.23           N  
-ATOM    134  CA  ASN A  19      45.431  58.451  98.345  1.00 27.90           C  
-ATOM    135  C   ASN A  19      46.631  58.428  99.267  1.00 27.69           C  
-ATOM    136  O   ASN A  19      47.560  59.227  99.131  1.00 30.31           O  
-ATOM    137  CB  ASN A  19      45.271  57.087  97.673  1.00 29.25           C  
-ATOM    138  CG  ASN A  19      46.439  56.744  96.775  1.00 23.03           C  
-ATOM    139  OD1 ASN A  19      47.586  57.039  97.097  1.00 31.39           O  
-ATOM    140  ND2 ASN A  19      46.151  56.142  95.636  1.00 37.18           N  
-ATOM    141  N   ALA A  20      46.588  57.505 100.220  1.00 30.54           N  
-ATOM    142  CA  ALA A  20      47.630  57.388 101.216  1.00 29.91           C  
-ATOM    143  C   ALA A  20      48.989  57.310 100.527  1.00 27.73           C  
-ATOM    144  O   ALA A  20      49.948  57.941 100.958  1.00 29.33           O  
-ATOM    145  CB  ALA A  20      47.390  56.145 102.087  1.00 30.27           C  
-ATOM    146  N   LYS A  21      49.056  56.560  99.433  1.00 28.51           N  
-ATOM    147  CA  LYS A  21      50.349  56.309  98.800  1.00 30.40           C  
-ATOM    148  C   LYS A  21      50.890  57.488  97.991  1.00 32.29           C  
-ATOM    149  O   LYS A  21      52.100  57.662  97.881  1.00 32.71           O  
-ATOM    150  CB  LYS A  21      50.304  55.016  97.981  1.00 33.38           C  
-ATOM    151  CG  LYS A  21      50.085  53.777  98.866  1.00 41.58           C  
-ATOM    152  CD  LYS A  21      50.244  52.462  98.108  1.00 55.90           C  
-ATOM    153  CE  LYS A  21      50.191  51.268  99.066  1.00 66.99           C  
-ATOM    154  NZ  LYS A  21      50.153  49.946  98.370  1.00 61.50           N  
-ATOM    155  N   ASN A  22      50.009  58.330  97.459  1.00 31.43           N  
-ATOM    156  CA  ASN A  22      50.490  59.387  96.571  1.00 25.19           C  
-ATOM    157  C   ASN A  22      50.368  60.828  97.066  1.00 27.40           C  
-ATOM    158  O   ASN A  22      50.933  61.736  96.462  1.00 26.62           O  
-ATOM    159  CB  ASN A  22      49.860  59.248  95.183  1.00 25.68           C  
-ATOM    160  CG  ASN A  22      48.395  59.584  95.174  1.00 28.54           C  
-ATOM    161  OD1 ASN A  22      47.885  60.231  96.095  1.00 24.04           O  
-ATOM    162  ND2 ASN A  22      47.695  59.128  94.141  1.00 27.10           N  
-ATOM    163  N   TYR A  23      49.644  61.053  98.155  1.00 29.69           N  
-ATOM    164  CA  TYR A  23      49.313  62.429  98.514  1.00 24.94           C  
-ATOM    165  C   TYR A  23      50.514  63.329  98.788  1.00 34.45           C  
-ATOM    166  O   TYR A  23      50.506  64.506  98.430  1.00 27.90           O  
-ATOM    167  CB  TYR A  23      48.242  62.500  99.615  1.00 25.99           C  
-ATOM    168  CG  TYR A  23      48.740  62.430 101.045  1.00 43.14           C  
-ATOM    169  CD1 TYR A  23      48.924  61.205 101.684  1.00 33.32           C  
-ATOM    170  CD2 TYR A  23      48.988  63.592 101.769  1.00 42.38           C  
-ATOM    171  CE1 TYR A  23      49.368  61.146 103.001  1.00 41.53           C  
-ATOM    172  CE2 TYR A  23      49.425  63.539 103.080  1.00 44.73           C  
-ATOM    173  CZ  TYR A  23      49.613  62.313 103.693  1.00 53.41           C  
-ATOM    174  OH  TYR A  23      50.049  62.262 105.001  1.00 49.70           O  
-ATOM    175  N   LYS A  24      51.570  62.782  99.377  1.00 32.41           N  
-ATOM    176  CA  LYS A  24      52.760  63.595  99.615  1.00 35.84           C  
-ATOM    177  C   LYS A  24      53.410  64.030  98.300  1.00 34.25           C  
-ATOM    178  O   LYS A  24      53.817  65.183  98.153  1.00 38.18           O  
-ATOM    179  CB  LYS A  24      53.752  62.877 100.547  1.00 36.24           C  
-ATOM    180  CG  LYS A  24      53.187  62.688 101.953  1.00 37.77           C  
-ATOM    181  CD  LYS A  24      54.192  62.090 102.934  1.00 40.54           C  
-ATOM    182  CE  LYS A  24      53.519  61.862 104.288  1.00 50.81           C  
-ATOM    183  NZ  LYS A  24      54.298  60.990 105.212  1.00 58.42           N  
-ATOM    184  N   ASN A  25      53.473  63.114  97.337  1.00 33.09           N  
-ATOM    185  CA  ASN A  25      54.018  63.420  96.016  1.00 35.16           C  
-ATOM    186  C   ASN A  25      53.146  64.414  95.253  1.00 35.93           C  
-ATOM    187  O   ASN A  25      53.644  65.262  94.512  1.00 33.47           O  
-ATOM    188  CB  ASN A  25      54.138  62.146  95.179  1.00 38.38           C  
-ATOM    189  CG  ASN A  25      55.339  61.307  95.561  1.00 50.48           C  
-ATOM    190  OD1 ASN A  25      56.365  61.836  95.982  1.00 49.77           O  
-ATOM    191  ND2 ASN A  25      55.220  59.992  95.404  1.00 49.86           N  
-ATOM    192  N   VAL A  26      51.837  64.285  95.416  1.00 27.55           N  
-ATOM    193  CA  VAL A  26      50.914  65.185  94.731  1.00 26.50           C  
-ATOM    194  C   VAL A  26      51.148  66.606  95.214  1.00 32.27           C  
-ATOM    195  O   VAL A  26      51.285  67.528  94.410  1.00 32.89           O  
-ATOM    196  CB  VAL A  26      49.435  64.766  94.931  1.00 26.17           C  
-ATOM    197  CG1 VAL A  26      48.480  65.853  94.396  1.00 23.92           C  
-ATOM    198  CG2 VAL A  26      49.168  63.432  94.247  1.00 25.93           C  
-ATOM    199  N   PHE A  27      51.205  66.784  96.531  1.00 29.78           N  
-ATOM    200  CA  PHE A  27      51.488  68.098  97.079  1.00 30.95           C  
-ATOM    201  C   PHE A  27      52.800  68.694  96.572  1.00 34.02           C  
-ATOM    202  O   PHE A  27      52.881  69.894  96.324  1.00 41.73           O  
-ATOM    203  CB  PHE A  27      51.436  68.087  98.607  1.00 33.86           C  
-ATOM    204  CG  PHE A  27      50.067  68.367  99.156  1.00 31.55           C  
-ATOM    205  CD1 PHE A  27      49.679  69.668  99.459  1.00 30.02           C  
-ATOM    206  CD2 PHE A  27      49.164  67.339  99.346  1.00 27.13           C  
-ATOM    207  CE1 PHE A  27      48.421  69.932  99.952  1.00 29.70           C  
-ATOM    208  CE2 PHE A  27      47.896  67.596  99.846  1.00 29.89           C  
-ATOM    209  CZ  PHE A  27      47.528  68.899 100.144  1.00 29.08           C  
-ATOM    210  N   LYS A  28      53.822  67.864  96.398  1.00 36.46           N  
-ATOM    211  CA  LYS A  28      55.112  68.377  95.940  1.00 36.04           C  
-ATOM    212  C   LYS A  28      55.059  68.879  94.506  1.00 37.09           C  
-ATOM    213  O   LYS A  28      55.754  69.828  94.153  1.00 47.81           O  
-ATOM    214  CB  LYS A  28      56.212  67.319  96.086  1.00 42.61           C  
-ATOM    215  CG  LYS A  28      56.629  67.072  97.525  1.00 53.49           C  
-ATOM    216  CD  LYS A  28      57.598  65.900  97.639  1.00 56.85           C  
-ATOM    217  CE  LYS A  28      57.948  65.608  99.096  1.00 70.22           C  
-ATOM    218  NZ  LYS A  28      58.814  64.401  99.230  1.00 75.23           N  
-ATOM    219  N   LYS A  29      54.226  68.243  93.689  1.00 33.46           N  
-ATOM    220  CA  LYS A  29      54.170  68.529  92.257  1.00 33.64           C  
-ATOM    221  C   LYS A  29      53.503  69.866  91.896  1.00 38.10           C  
-ATOM    222  O   LYS A  29      53.875  70.504  90.916  1.00 33.41           O  
-ATOM    223  CB  LYS A  29      53.457  67.389  91.524  1.00 30.95           C  
-ATOM    224  CG  LYS A  29      53.248  67.635  90.029  1.00 39.97           C  
-ATOM    225  CD  LYS A  29      52.562  66.461  89.342  1.00 36.19           C  
-ATOM    226  CE  LYS A  29      52.409  66.713  87.850  1.00 47.24           C  
-ATOM    227  NZ  LYS A  29      51.627  65.636  87.182  1.00 49.21           N  
-ATOM    228  N   TYR A  30      52.513  70.285  92.677  1.00 37.66           N  
-ATOM    229  CA  TYR A  30      51.707  71.449  92.308  1.00 31.96           C  
-ATOM    230  C   TYR A  30      51.890  72.605  93.282  1.00 30.05           C  
-ATOM    231  O   TYR A  30      52.005  72.385  94.477  1.00 38.82           O  
-ATOM    232  CB  TYR A  30      50.230  71.063  92.279  1.00 28.99           C  
-ATOM    233  CG  TYR A  30      49.873  70.032  91.230  1.00 25.69           C  
-ATOM    234  CD1 TYR A  30      49.763  70.392  89.899  1.00 28.86           C  
-ATOM    235  CD2 TYR A  30      49.639  68.706  91.574  1.00 28.31           C  
-ATOM    236  CE1 TYR A  30      49.424  69.467  88.930  1.00 30.67           C  
-ATOM    237  CE2 TYR A  30      49.297  67.767  90.605  1.00 31.74           C  
-ATOM    238  CZ  TYR A  30      49.198  68.163  89.280  1.00 31.45           C  
-ATOM    239  OH  TYR A  30      48.861  67.269  88.292  1.00 36.12           O  
-ATOM    240  N   GLU A  31      51.891  73.836  92.775  1.00 38.36           N  
-ATOM    241  CA  GLU A  31      51.955  74.999  93.662  1.00 40.71           C  
-ATOM    242  C   GLU A  31      50.602  75.290  94.297  1.00 30.95           C  
-ATOM    243  O   GLU A  31      50.520  75.797  95.425  1.00 31.04           O  
-ATOM    244  CB  GLU A  31      52.424  76.250  92.927  0.74 35.81           C  
-ATOM    245  CG  GLU A  31      52.711  77.401  93.888  0.66 41.88           C  
-ATOM    246  CD  GLU A  31      52.509  78.768  93.266  0.26 39.68           C  
-ATOM    247  OE1 GLU A  31      52.224  79.715  94.032  1.00 42.58           O  
-ATOM    248  OE2 GLU A  31      52.636  78.897  92.026  1.00 43.90           O  
-ATOM    249  N   VAL A  32      49.544  74.995  93.547  1.00 25.19           N  
-ATOM    250  CA  VAL A  32      48.187  75.149  94.040  1.00 25.01           C  
-ATOM    251  C   VAL A  32      47.468  73.828  93.765  1.00 23.60           C  
-ATOM    252  O   VAL A  32      47.550  73.275  92.670  1.00 24.69           O  
-ATOM    253  CB  VAL A  32      47.469  76.349  93.365  1.00 21.14           C  
-ATOM    254  CG1 VAL A  32      46.018  76.425  93.810  1.00 20.40           C  
-ATOM    255  CG2 VAL A  32      48.191  77.656  93.712  1.00 26.05           C  
-ATOM    256  N   LEU A  33      46.800  73.313  94.779  1.00 20.74           N  
-ATOM    257  CA  LEU A  33      46.103  72.037  94.676  1.00 24.92           C  
-ATOM    258  C   LEU A  33      44.661  72.218  95.136  1.00 21.30           C  
-ATOM    259  O   LEU A  33      44.406  72.745  96.215  1.00 25.57           O  
-ATOM    260  CB  LEU A  33      46.825  70.996  95.549  1.00 26.82           C  
-ATOM    261  CG  LEU A  33      46.355  69.541  95.535  1.00 29.87           C  
-ATOM    262  CD1 LEU A  33      46.427  68.956  94.118  1.00 26.35           C  
-ATOM    263  CD2 LEU A  33      47.207  68.724  96.508  1.00 26.78           C  
-ATOM    264  N   ALA A  34      43.720  71.798  94.303  1.00 20.30           N  
-ATOM    265  CA  ALA A  34      42.306  71.802  94.661  1.00 19.67           C  
-ATOM    266  C   ALA A  34      41.866  70.366  94.879  1.00 22.99           C  
-ATOM    267  O   ALA A  34      41.959  69.548  93.961  1.00 18.86           O  
-ATOM    268  CB  ALA A  34      41.481  72.426  93.551  1.00 17.69           C  
-ATOM    269  N   LEU A  35      41.379  70.064  96.081  1.00 19.96           N  
-ATOM    270  CA  LEU A  35      40.943  68.712  96.416  1.00 18.24           C  
-ATOM    271  C   LEU A  35      39.471  68.717  96.753  1.00 18.84           C  
-ATOM    272  O   LEU A  35      39.044  69.480  97.623  1.00 23.16           O  
-ATOM    273  CB  LEU A  35      41.705  68.182  97.633  1.00 16.64           C  
-ATOM    274  CG  LEU A  35      43.214  68.018  97.500  1.00 17.55           C  
-ATOM    275  CD1 LEU A  35      43.752  67.383  98.795  1.00 23.74           C  
-ATOM    276  CD2 LEU A  35      43.469  67.108  96.298  1.00 19.06           C  
-ATOM    277  N   LEU A  36      38.708  67.871  96.064  1.00 16.42           N  
-ATOM    278  CA  LEU A  36      37.316  67.623  96.410  1.00 21.20           C  
-ATOM    279  C   LEU A  36      37.249  66.464  97.409  1.00 22.41           C  
-ATOM    280  O   LEU A  36      37.575  65.326  97.083  1.00 21.66           O  
-ATOM    281  CB  LEU A  36      36.487  67.262  95.180  1.00 18.20           C  
-ATOM    282  CG  LEU A  36      35.045  66.822  95.458  1.00 20.35           C  
-ATOM    283  CD1 LEU A  36      34.279  67.859  96.281  1.00 23.85           C  
-ATOM    284  CD2 LEU A  36      34.309  66.485  94.153  1.00 21.36           C  
-ATOM    285  N   TYR A  37      36.807  66.782  98.616  1.00 22.25           N  
-ATOM    286  CA  TYR A  37      36.540  65.789  99.641  1.00 26.80           C  
-ATOM    287  C   TYR A  37      35.111  65.279  99.453  1.00 32.84           C  
-ATOM    288  O   TYR A  37      34.160  66.031  99.632  1.00 32.95           O  
-ATOM    289  CB  TYR A  37      36.742  66.435 101.012  1.00 27.15           C  
-ATOM    290  CG  TYR A  37      36.400  65.554 102.194  1.00 32.90           C  
-ATOM    291  CD1 TYR A  37      37.111  64.382 102.441  1.00 30.92           C  
-ATOM    292  CD2 TYR A  37      35.386  65.910 103.084  1.00 36.88           C  
-ATOM    293  CE1 TYR A  37      36.808  63.575 103.527  1.00 29.43           C  
-ATOM    294  CE2 TYR A  37      35.075  65.109 104.178  1.00 41.83           C  
-ATOM    295  CZ  TYR A  37      35.793  63.943 104.397  1.00 38.88           C  
-ATOM    296  OH  TYR A  37      35.492  63.139 105.476  1.00 35.60           O  
-ATOM    297  N   HIS A  38      34.958  64.015  99.061  1.00 26.26           N  
-ATOM    298  CA  HIS A  38      33.640  63.485  98.696  1.00 28.16           C  
-ATOM    299  C   HIS A  38      33.321  62.149  99.361  1.00 34.56           C  
-ATOM    300  O   HIS A  38      34.207  61.483  99.903  1.00 31.79           O  
-ATOM    301  CB  HIS A  38      33.547  63.295  97.190  1.00 27.34           C  
-ATOM    302  CG  HIS A  38      34.434  62.208  96.670  1.00 30.38           C  
-ATOM    303  ND1 HIS A  38      34.022  60.897  96.567  1.00 31.78           N  
-ATOM    304  CD2 HIS A  38      35.716  62.233  96.235  1.00 30.03           C  
-ATOM    305  CE1 HIS A  38      35.008  60.161  96.082  1.00 33.86           C  
-ATOM    306  NE2 HIS A  38      36.048  60.947  95.872  1.00 34.19           N  
-ATOM    307  N   GLU A  39      32.050  61.754  99.292  1.00 34.08           N  
-ATOM    308  CA  GLU A  39      31.592  60.521  99.913  1.00 29.35           C  
-ATOM    309  C   GLU A  39      31.714  59.356  98.951  1.00 44.77           C  
-ATOM    310  O   GLU A  39      31.675  59.541  97.737  1.00 49.80           O  
-ATOM    311  CB  GLU A  39      30.141  60.668 100.374  1.00 43.16           C  
-ATOM    312  CG  GLU A  39      29.954  61.760 101.412  1.00 27.81           C  
-ATOM    313  CD  GLU A  39      30.788  61.506 102.650  1.00 45.62           C  
-ATOM    314  OE1 GLU A  39      31.427  62.459 103.157  1.00 38.94           O  
-ATOM    315  OE2 GLU A  39      30.808  60.339 103.111  1.00 42.57           O  
-ATOM    316  N   PRO A  40      31.879  58.140  99.488  1.00 50.98           N  
-ATOM    317  CA  PRO A  40      31.950  56.973  98.599  1.00 50.24           C  
-ATOM    318  C   PRO A  40      30.670  56.864  97.777  1.00 40.44           C  
-ATOM    319  O   PRO A  40      29.658  57.456  98.159  1.00 48.21           O  
-ATOM    320  CB  PRO A  40      32.104  55.789  99.567  1.00 49.93           C  
-ATOM    321  CG  PRO A  40      31.687  56.322 100.915  1.00 47.57           C  
-ATOM    322  CD  PRO A  40      32.012  57.781 100.909  1.00 41.54           C  
-ATOM    323  N   PRO A  41      30.721  56.147  96.643  1.00 50.10           N  
-ATOM    324  CA  PRO A  41      29.576  56.005  95.732  1.00 50.01           C  
-ATOM    325  C   PRO A  41      28.347  55.394  96.406  1.00 52.52           C  
-ATOM    326  O   PRO A  41      28.449  54.323  97.011  1.00 53.86           O  
-ATOM    327  CB  PRO A  41      30.108  55.051  94.656  1.00 53.02           C  
-ATOM    328  CG  PRO A  41      31.587  55.259  94.672  1.00 51.29           C  
-ATOM    329  CD  PRO A  41      31.936  55.505  96.108  1.00 48.74           C  
-ATOM    330  N   GLU A  42      27.209  56.076  96.302  1.00 49.00           N  
-ATOM    331  CA  GLU A  42      25.931  55.547  96.775  1.00 47.13           C  
-ATOM    332  C   GLU A  42      25.304  54.637  95.726  1.00 53.08           C  
-ATOM    333  O   GLU A  42      25.731  54.613  94.567  1.00 53.62           O  
-ATOM    334  CB  GLU A  42      24.965  56.679  97.129  1.00 45.21           C  
-ATOM    335  CG  GLU A  42      25.326  57.441  98.394  1.00 53.35           C  
-ATOM    336  CD  GLU A  42      25.203  56.589  99.652  1.00 69.22           C  
-ATOM    337  OE1 GLU A  42      25.710  57.012 100.714  1.00 69.95           O  
-ATOM    338  OE2 GLU A  42      24.594  55.498  99.582  1.00 76.46           O  
-ATOM    339  N   ASP A  43      24.290  53.885  96.132  1.00 51.69           N  
-ATOM    340  CA  ASP A  43      23.680  52.906  95.247  1.00 53.57           C  
-ATOM    341  C   ASP A  43      22.751  53.552  94.229  1.00 49.21           C  
-ATOM    342  O   ASP A  43      22.480  52.972  93.175  1.00 44.99           O  
-ATOM    343  CB  ASP A  43      22.911  51.861  96.057  1.00 70.22           C  
-ATOM    344  CG  ASP A  43      23.826  50.878  96.751  1.00 85.34           C  
-ATOM    345  OD1 ASP A  43      25.058  51.097  96.727  1.00 83.00           O  
-ATOM    346  OD2 ASP A  43      23.315  49.891  97.324  1.00 91.31           O  
-ATOM    347  N   ASP A  44      22.262  54.747  94.541  1.00 41.54           N  
-ATOM    348  CA  ASP A  44      21.233  55.347  93.709  1.00 33.53           C  
-ATOM    349  C   ASP A  44      21.818  56.103  92.514  1.00 38.83           C  
-ATOM    350  O   ASP A  44      22.847  56.777  92.617  1.00 28.86           O  
-ATOM    351  CB  ASP A  44      20.309  56.237  94.537  1.00 35.10           C  
-ATOM    352  CG  ASP A  44      20.990  57.487  95.016  1.00 39.69           C  
-ATOM    353  OD1 ASP A  44      21.924  57.379  95.838  1.00 42.49           O  
-ATOM    354  OD2 ASP A  44      20.583  58.580  94.572  1.00 38.25           O  
-ATOM    355  N   LYS A  45      21.150  55.964  91.377  1.00 38.56           N  
-ATOM    356  CA  LYS A  45      21.593  56.587  90.145  1.00 37.31           C  
-ATOM    357  C   LYS A  45      21.762  58.101  90.289  1.00 29.86           C  
-ATOM    358  O   LYS A  45      22.754  58.664  89.837  1.00 29.68           O  
-ATOM    359  CB  LYS A  45      20.601  56.298  89.023  1.00 42.78           C  
-ATOM    360  CG  LYS A  45      21.046  56.899  87.705  1.00 55.73           C  
-ATOM    361  CD  LYS A  45      19.974  56.814  86.634  1.00 57.54           C  
-ATOM    362  CE  LYS A  45      20.439  57.555  85.402  1.00 45.33           C  
-ATOM    363  NZ  LYS A  45      21.841  57.159  85.062  1.00 55.31           N  
-ATOM    364  N   ALA A  46      20.788  58.753  90.909  1.00 25.04           N  
-ATOM    365  CA  ALA A  46      20.825  60.208  91.055  1.00 29.00           C  
-ATOM    366  C   ALA A  46      22.107  60.702  91.716  1.00 27.68           C  
-ATOM    367  O   ALA A  46      22.743  61.623  91.216  1.00 22.76           O  
-ATOM    368  CB  ALA A  46      19.594  60.715  91.805  1.00 32.46           C  
-ATOM    369  N   SER A  47      22.491  60.094  92.834  1.00 27.64           N  
-ATOM    370  CA  SER A  47      23.711  60.491  93.541  1.00 29.47           C  
-ATOM    371  C   SER A  47      24.923  60.316  92.657  1.00 25.10           C  
-ATOM    372  O   SER A  47      25.851  61.135  92.670  1.00 24.09           O  
-ATOM    373  CB  SER A  47      23.905  59.654  94.817  1.00 29.98           C  
-ATOM    374  OG  SER A  47      22.847  59.894  95.724  1.00 46.91           O  
-ATOM    375  N   GLN A  48      24.929  59.220  91.905  1.00 23.99           N  
-ATOM    376  CA  GLN A  48      26.061  58.899  91.058  1.00 26.18           C  
-ATOM    377  C   GLN A  48      26.207  59.924  89.939  1.00 21.98           C  
-ATOM    378  O   GLN A  48      27.311  60.335  89.603  1.00 22.30           O  
-ATOM    379  CB  GLN A  48      25.896  57.497  90.474  1.00 25.67           C  
-ATOM    380  CG  GLN A  48      25.989  56.409  91.533  1.00 37.09           C  
-ATOM    381  CD  GLN A  48      25.564  55.052  91.014  1.00 47.48           C  
-ATOM    382  OE1 GLN A  48      25.152  54.183  91.782  1.00 50.66           O  
-ATOM    383  NE2 GLN A  48      25.661  54.862  89.704  1.00 42.44           N  
-ATOM    384  N   ARG A  49      25.085  60.313  89.363  1.00 22.00           N  
-ATOM    385  CA  ARG A  49      25.086  61.344  88.332  1.00 27.85           C  
-ATOM    386  C   ARG A  49      25.562  62.700  88.876  1.00 22.24           C  
-ATOM    387  O   ARG A  49      26.297  63.413  88.205  1.00 20.47           O  
-ATOM    388  CB  ARG A  49      23.696  61.465  87.720  1.00 20.77           C  
-ATOM    389  CG  ARG A  49      23.280  60.240  86.906  1.00 26.26           C  
-ATOM    390  CD  ARG A  49      24.001  60.233  85.553  1.00 26.66           C  
-ATOM    391  NE  ARG A  49      23.231  60.967  84.554  1.00 21.38           N  
-ATOM    392  CZ  ARG A  49      23.714  61.411  83.399  1.00 24.97           C  
-ATOM    393  NH1 ARG A  49      24.981  61.214  83.088  1.00 21.49           N  
-ATOM    394  NH2 ARG A  49      22.919  62.056  82.551  1.00 25.76           N  
-ATOM    395  N   GLN A  50      25.092  63.077  90.064  1.00 19.51           N  
-ATOM    396  CA  GLN A  50      25.569  64.305  90.695  1.00 21.90           C  
-ATOM    397  C   GLN A  50      27.092  64.276  90.828  1.00 23.83           C  
-ATOM    398  O   GLN A  50      27.774  65.265  90.557  1.00 22.74           O  
-ATOM    399  CB  GLN A  50      24.927  64.489  92.075  1.00 19.40           C  
-ATOM    400  CG  GLN A  50      23.441  64.788  92.025  1.00 22.09           C  
-ATOM    401  CD  GLN A  50      22.845  64.835  93.414  1.00 30.09           C  
-ATOM    402  OE1 GLN A  50      23.017  63.899  94.194  1.00 29.11           O  
-ATOM    403  NE2 GLN A  50      22.172  65.933  93.743  1.00 25.17           N  
-ATOM    404  N   PHE A  51      27.636  63.144  91.257  1.00 22.73           N  
-ATOM    405  CA  PHE A  51      29.082  63.060  91.429  1.00 23.97           C  
-ATOM    406  C   PHE A  51      29.799  63.103  90.089  1.00 20.40           C  
-ATOM    407  O   PHE A  51      30.855  63.726  89.965  1.00 21.55           O  
-ATOM    408  CB  PHE A  51      29.506  61.797  92.187  1.00 25.13           C  
-ATOM    409  CG  PHE A  51      30.988  61.654  92.301  1.00 30.65           C  
-ATOM    410  CD1 PHE A  51      31.684  62.348  93.272  1.00 33.09           C  
-ATOM    411  CD2 PHE A  51      31.695  60.868  91.401  1.00 28.82           C  
-ATOM    412  CE1 PHE A  51      33.051  62.242  93.363  1.00 32.76           C  
-ATOM    413  CE2 PHE A  51      33.067  60.749  91.492  1.00 31.42           C  
-ATOM    414  CZ  PHE A  51      33.745  61.439  92.472  1.00 38.24           C  
-ATOM    415  N   GLU A  52      29.223  62.428  89.099  1.00 19.72           N  
-ATOM    416  CA  GLU A  52      29.774  62.398  87.753  1.00 19.98           C  
-ATOM    417  C   GLU A  52      29.913  63.828  87.196  1.00 19.47           C  
-ATOM    418  O   GLU A  52      30.933  64.182  86.584  1.00 17.28           O  
-ATOM    419  CB  GLU A  52      28.847  61.552  86.864  1.00 20.41           C  
-ATOM    420  CG  GLU A  52      29.287  61.376  85.427  1.00 22.28           C  
-ATOM    421  CD  GLU A  52      28.220  60.659  84.591  1.00 29.74           C  
-ATOM    422  OE1 GLU A  52      27.104  60.454  85.088  1.00 32.40           O  
-ATOM    423  OE2 GLU A  52      28.484  60.307  83.433  1.00 29.37           O  
-ATOM    424  N   MET A  53      28.888  64.644  87.418  1.00 21.93           N  
-ATOM    425  CA AMET A  53      28.917  66.027  86.947  0.45 20.04           C  
-ATOM    426  CA BMET A  53      28.888  66.038  86.987  0.55 20.03           C  
-ATOM    427  C   MET A  53      29.986  66.839  87.676  1.00 20.91           C  
-ATOM    428  O   MET A  53      30.775  67.530  87.035  1.00 18.75           O  
-ATOM    429  CB AMET A  53      27.542  66.702  87.058  0.45 20.38           C  
-ATOM    430  CB BMET A  53      27.544  66.679  87.307  0.55 20.46           C  
-ATOM    431  CG AMET A  53      27.501  68.098  86.425  0.45 22.18           C  
-ATOM    432  CG BMET A  53      27.562  68.175  87.134  0.55 20.21           C  
-ATOM    433  SD AMET A  53      25.955  69.026  86.616  0.45 24.60           S  
-ATOM    434  SD BMET A  53      27.489  68.556  85.386  0.55 20.69           S  
-ATOM    435  CE AMET A  53      24.857  68.175  85.487  0.45 17.94           C  
-ATOM    436  CE BMET A  53      25.700  68.630  85.219  0.55 23.85           C  
-ATOM    437  N   GLU A  54      30.021  66.761  89.005  1.00 19.01           N  
-ATOM    438  CA  GLU A  54      31.050  67.480  89.754  1.00 21.78           C  
-ATOM    439  C   GLU A  54      32.446  67.084  89.288  1.00 25.17           C  
-ATOM    440  O   GLU A  54      33.321  67.940  89.140  1.00 18.28           O  
-ATOM    441  CB  GLU A  54      30.940  67.220  91.263  1.00 21.62           C  
-ATOM    442  CG  GLU A  54      29.774  67.927  91.928  1.00 27.26           C  
-ATOM    443  CD  GLU A  54      29.772  67.760  93.448  1.00 38.18           C  
-ATOM    444  OE1 GLU A  54      30.458  66.847  93.971  1.00 32.12           O  
-ATOM    445  OE2 GLU A  54      29.082  68.553  94.117  1.00 34.85           O  
-ATOM    446  N   GLU A  55      32.678  65.786  89.084  1.00 17.83           N  
-ATOM    447  CA  GLU A  55      34.031  65.363  88.726  1.00 18.59           C  
-ATOM    448  C   GLU A  55      34.432  65.884  87.335  1.00 16.84           C  
-ATOM    449  O   GLU A  55      35.580  66.251  87.101  1.00 17.39           O  
-ATOM    450  CB  GLU A  55      34.181  63.836  88.805  1.00 20.34           C  
-ATOM    451  CG  GLU A  55      35.642  63.370  88.783  1.00 24.42           C  
-ATOM    452  CD  GLU A  55      36.214  63.244  87.387  1.00 24.32           C  
-ATOM    453  OE1 GLU A  55      35.427  63.138  86.421  1.00 22.51           O  
-ATOM    454  OE2 GLU A  55      37.456  63.246  87.263  1.00 24.32           O  
-ATOM    455  N   LEU A  56      33.479  65.903  86.412  1.00 17.74           N  
-ATOM    456  CA  LEU A  56      33.740  66.431  85.071  1.00 16.69           C  
-ATOM    457  C   LEU A  56      33.989  67.950  85.099  1.00 15.78           C  
-ATOM    458  O   LEU A  56      34.801  68.478  84.345  1.00 16.71           O  
-ATOM    459  CB  LEU A  56      32.569  66.096  84.144  1.00 19.26           C  
-ATOM    460  CG  LEU A  56      32.682  64.704  83.502  1.00 21.34           C  
-ATOM    461  CD1 LEU A  56      31.365  64.262  82.890  1.00 21.92           C  
-ATOM    462  CD2 LEU A  56      33.776  64.736  82.467  1.00 20.03           C  
-ATOM    463  N   ILE A  57      33.282  68.649  85.970  1.00 15.43           N  
-ATOM    464  CA  ILE A  57      33.550  70.077  86.151  1.00 19.28           C  
-ATOM    465  C   ILE A  57      35.008  70.287  86.567  1.00 17.89           C  
-ATOM    466  O   ILE A  57      35.703  71.140  86.001  1.00 14.89           O  
-ATOM    467  CB  ILE A  57      32.536  70.721  87.136  1.00 16.75           C  
-ATOM    468  CG1 ILE A  57      31.155  70.801  86.459  1.00 17.47           C  
-ATOM    469  CG2 ILE A  57      33.070  72.087  87.643  1.00 16.62           C  
-ATOM    470  CD1 ILE A  57      30.002  71.132  87.404  1.00 16.58           C  
-ATOM    471  N   LEU A  58      35.483  69.475  87.517  1.00 15.61           N  
-ATOM    472  CA  LEU A  58      36.891  69.494  87.900  1.00 18.22           C  
-ATOM    473  C   LEU A  58      37.797  69.162  86.725  1.00 15.12           C  
-ATOM    474  O   LEU A  58      38.845  69.772  86.565  1.00 17.66           O  
-ATOM    475  CB  LEU A  58      37.169  68.541  89.070  1.00 18.83           C  
-ATOM    476  CG  LEU A  58      36.458  68.916  90.374  1.00 23.58           C  
-ATOM    477  CD1 LEU A  58      36.740  67.874  91.482  1.00 21.68           C  
-ATOM    478  CD2 LEU A  58      36.853  70.320  90.821  1.00 19.90           C  
-ATOM    479  N   GLU A  59      37.384  68.202  85.898  1.00 18.48           N  
-ATOM    480  CA  GLU A  59      38.197  67.844  84.741  1.00 16.15           C  
-ATOM    481  C   GLU A  59      38.367  69.038  83.823  1.00 14.84           C  
-ATOM    482  O   GLU A  59      39.458  69.291  83.328  1.00 18.66           O  
-ATOM    483  CB  GLU A  59      37.578  66.678  83.960  1.00 17.30           C  
-ATOM    484  CG  GLU A  59      37.571  65.337  84.718  1.00 18.27           C  
-ATOM    485  CD  GLU A  59      38.948  64.689  84.856  1.00 23.28           C  
-ATOM    486  OE1 GLU A  59      39.962  65.240  84.365  1.00 19.48           O  
-ATOM    487  OE2 GLU A  59      39.016  63.605  85.479  1.00 20.98           O  
-ATOM    488  N   LEU A  60      37.282  69.774  83.593  1.00 16.29           N  
-ATOM    489  CA  LEU A  60      37.354  70.908  82.687  1.00 15.63           C  
-ATOM    490  C   LEU A  60      38.325  71.959  83.245  1.00 18.34           C  
-ATOM    491  O   LEU A  60      39.183  72.474  82.534  1.00 15.67           O  
-ATOM    492  CB  LEU A  60      35.962  71.498  82.483  1.00 17.00           C  
-ATOM    493  CG  LEU A  60      35.832  72.628  81.462  1.00 21.75           C  
-ATOM    494  CD1 LEU A  60      36.510  72.219  80.160  1.00 19.09           C  
-ATOM    495  CD2 LEU A  60      34.358  72.996  81.238  1.00 18.98           C  
-ATOM    496  N   ALA A  61      38.175  72.287  84.523  1.00 17.92           N  
-ATOM    497  CA  ALA A  61      39.087  73.223  85.171  1.00 16.99           C  
-ATOM    498  C   ALA A  61      40.532  72.721  85.096  1.00 18.37           C  
-ATOM    499  O   ALA A  61      41.463  73.506  84.897  1.00 18.50           O  
-ATOM    500  CB  ALA A  61      38.670  73.431  86.618  1.00 17.20           C  
-ATOM    501  N   ALA A  62      40.721  71.416  85.300  1.00 16.69           N  
-ATOM    502  CA  ALA A  62      42.058  70.830  85.290  1.00 18.74           C  
-ATOM    503  C   ALA A  62      42.698  70.988  83.918  1.00 17.06           C  
-ATOM    504  O   ALA A  62      43.890  71.257  83.826  1.00 16.48           O  
-ATOM    505  CB  ALA A  62      42.001  69.337  85.683  1.00 16.98           C  
-ATOM    506  N   GLN A  63      41.898  70.830  82.858  1.00 18.32           N  
-ATOM    507  CA  GLN A  63      42.427  70.985  81.501  1.00 17.51           C  
-ATOM    508  C   GLN A  63      42.828  72.421  81.254  1.00 16.89           C  
-ATOM    509  O   GLN A  63      43.927  72.690  80.766  1.00 18.07           O  
-ATOM    510  CB  GLN A  63      41.428  70.522  80.432  1.00 19.56           C  
-ATOM    511  CG  GLN A  63      41.960  70.723  79.014  1.00 18.85           C  
-ATOM    512  CD  GLN A  63      41.059  70.126  77.933  1.00 21.00           C  
-ATOM    513  OE1 GLN A  63      40.151  69.349  78.211  1.00 20.90           O  
-ATOM    514  NE2 GLN A  63      41.321  70.494  76.688  1.00 21.44           N  
-ATOM    515  N   VAL A  64      41.935  73.344  81.603  1.00 15.80           N  
-ATOM    516  CA  VAL A  64      42.222  74.766  81.463  1.00 17.30           C  
-ATOM    517  C   VAL A  64      43.477  75.209  82.227  1.00 19.71           C  
-ATOM    518  O   VAL A  64      44.307  75.987  81.722  1.00 18.79           O  
-ATOM    519  CB  VAL A  64      41.019  75.628  81.885  1.00 17.90           C  
-ATOM    520  CG1 VAL A  64      41.419  77.116  81.954  1.00 16.41           C  
-ATOM    521  CG2 VAL A  64      39.857  75.401  80.932  1.00 18.25           C  
-ATOM    522  N   LEU A  65      43.626  74.713  83.443  1.00 12.73           N  
-ATOM    523  CA  LEU A  65      44.706  75.202  84.289  1.00 16.02           C  
-ATOM    524  C   LEU A  65      45.950  74.314  84.296  1.00 21.20           C  
-ATOM    525  O   LEU A  65      46.849  74.509  85.119  1.00 19.33           O  
-ATOM    526  CB  LEU A  65      44.179  75.407  85.711  1.00 18.60           C  
-ATOM    527  CG  LEU A  65      43.220  76.597  85.800  1.00 17.34           C  
-ATOM    528  CD1 LEU A  65      42.674  76.696  87.218  1.00 22.15           C  
-ATOM    529  CD2 LEU A  65      43.963  77.874  85.409  1.00 20.22           C  
-ATOM    530  N   GLU A  66      46.019  73.363  83.367  1.00 20.73           N  
-ATOM    531  CA  GLU A  66      47.142  72.416  83.351  1.00 22.43           C  
-ATOM    532  C   GLU A  66      48.504  73.107  83.232  1.00 25.21           C  
-ATOM    533  O   GLU A  66      49.451  72.775  83.941  1.00 21.24           O  
-ATOM    534  CB  GLU A  66      46.972  71.413  82.206  1.00 24.56           C  
-ATOM    535  CG  GLU A  66      48.084  70.380  82.115  1.00 33.31           C  
-ATOM    536  CD  GLU A  66      47.707  69.214  81.213  1.00 28.61           C  
-ATOM    537  OE1 GLU A  66      47.515  69.431  80.001  1.00 35.73           O  
-ATOM    538  OE2 GLU A  66      47.561  68.093  81.733  1.00 40.66           O  
-ATOM    539  N   ASP A  67      48.600  74.056  82.315  1.00 22.23           N  
-ATOM    540  CA AASP A  67      49.849  74.759  82.040  0.54 24.55           C  
-ATOM    541  CA BASP A  67      49.865  74.741  82.061  0.46 24.54           C  
-ATOM    542  C   ASP A  67      50.295  75.641  83.210  1.00 30.11           C  
-ATOM    543  O   ASP A  67      51.476  75.907  83.382  1.00 26.86           O  
-ATOM    544  CB AASP A  67      49.682  75.591  80.756  0.54 25.27           C  
-ATOM    545  CB BASP A  67      49.787  75.559  80.770  0.46 25.29           C  
-ATOM    546  CG AASP A  67      50.911  76.408  80.411  0.54 28.25           C  
-ATOM    547  CG BASP A  67      49.715  74.691  79.537  0.46 28.35           C  
-ATOM    548  OD1AASP A  67      51.875  75.837  79.862  0.54 32.25           O  
-ATOM    549  OD1BASP A  67      50.339  73.609  79.535  0.46 36.55           O  
-ATOM    550  OD2AASP A  67      50.906  77.629  80.670  0.54 29.27           O  
-ATOM    551  OD2BASP A  67      49.039  75.097  78.569  0.46 31.70           O  
-ATOM    552  N   LYS A  68      49.339  76.101  84.008  1.00 20.43           N  
-ATOM    553  CA  LYS A  68      49.649  76.981  85.128  1.00 21.56           C  
-ATOM    554  C   LYS A  68      50.010  76.263  86.442  1.00 26.91           C  
-ATOM    555  O   LYS A  68      50.207  76.898  87.469  1.00 29.82           O  
-ATOM    556  CB  LYS A  68      48.512  77.973  85.324  1.00 24.27           C  
-ATOM    557  CG  LYS A  68      48.527  79.031  84.214  1.00 26.98           C  
-ATOM    558  CD  LYS A  68      47.651  80.209  84.507  1.00 34.24           C  
-ATOM    559  CE  LYS A  68      47.787  81.277  83.407  1.00 27.69           C  
-ATOM    560  NZ  LYS A  68      48.715  82.371  83.802  1.00 27.56           N  
-ATOM    561  N   GLY A  69      50.091  74.942  86.401  1.00 27.13           N  
-ATOM    562  CA  GLY A  69      50.543  74.185  87.562  1.00 31.31           C  
-ATOM    563  C   GLY A  69      49.543  74.139  88.712  1.00 34.77           C  
-ATOM    564  O   GLY A  69      49.906  74.164  89.896  1.00 31.49           O  
-ATOM    565  N   VAL A  70      48.266  74.086  88.361  1.00 26.51           N  
-ATOM    566  CA  VAL A  70      47.229  73.854  89.351  1.00 26.35           C  
-ATOM    567  C   VAL A  70      46.787  72.417  89.194  1.00 26.56           C  
-ATOM    568  O   VAL A  70      46.453  71.997  88.090  1.00 25.64           O  
-ATOM    569  CB  VAL A  70      46.030  74.783  89.124  1.00 18.48           C  
-ATOM    570  CG1 VAL A  70      44.980  74.567  90.210  1.00 19.36           C  
-ATOM    571  CG2 VAL A  70      46.501  76.233  89.116  1.00 23.49           C  
-ATOM    572  N   GLY A  71      46.793  71.667  90.293  1.00 23.67           N  
-ATOM    573  CA  GLY A  71      46.399  70.272  90.264  1.00 22.80           C  
-ATOM    574  C   GLY A  71      45.050  70.075  90.900  1.00 21.76           C  
-ATOM    575  O   GLY A  71      44.633  70.886  91.713  1.00 22.66           O  
-ATOM    576  N   PHE A  72      44.361  69.012  90.501  1.00 16.68           N  
-ATOM    577  CA  PHE A  72      43.036  68.701  91.001  1.00 19.10           C  
-ATOM    578  C   PHE A  72      42.998  67.252  91.446  1.00 20.85           C  
-ATOM    579  O   PHE A  72      43.581  66.383  90.795  1.00 21.14           O  
-ATOM    580  CB  PHE A  72      41.994  68.921  89.904  1.00 20.97           C  
-ATOM    581  CG  PHE A  72      41.822  70.362  89.531  1.00 18.83           C  
-ATOM    582  CD1 PHE A  72      42.754  70.988  88.712  1.00 18.73           C  
-ATOM    583  CD2 PHE A  72      40.752  71.091  90.021  1.00 21.32           C  
-ATOM    584  CE1 PHE A  72      42.604  72.327  88.351  1.00 20.00           C  
-ATOM    585  CE2 PHE A  72      40.603  72.448  89.685  1.00 22.16           C  
-ATOM    586  CZ  PHE A  72      41.535  73.055  88.852  1.00 15.81           C  
-ATOM    587  N   GLY A  73      42.314  66.998  92.555  1.00 20.06           N  
-ATOM    588  CA  GLY A  73      42.320  65.679  93.154  1.00 16.42           C  
-ATOM    589  C   GLY A  73      41.051  65.359  93.899  1.00 20.95           C  
-ATOM    590  O   GLY A  73      40.309  66.257  94.278  1.00 19.35           O  
-ATOM    591  N   LEU A  74      40.814  64.068  94.119  1.00 17.00           N  
-ATOM    592  CA  LEU A  74      39.625  63.596  94.813  1.00 17.74           C  
-ATOM    593  C   LEU A  74      40.050  62.870  96.073  1.00 25.00           C  
-ATOM    594  O   LEU A  74      40.941  62.024  96.032  1.00 22.06           O  
-ATOM    595  CB  LEU A  74      38.881  62.607  93.934  1.00 22.88           C  
-ATOM    596  CG  LEU A  74      38.358  63.158  92.619  1.00 22.89           C  
-ATOM    597  CD1 LEU A  74      37.879  62.032  91.720  1.00 27.23           C  
-ATOM    598  CD2 LEU A  74      37.240  64.174  92.874  1.00 30.48           C  
-ATOM    599  N   VAL A  75      39.426  63.203  97.192  1.00 20.13           N  
-ATOM    600  CA  VAL A  75      39.701  62.478  98.427  1.00 23.55           C  
-ATOM    601  C   VAL A  75      38.407  61.870  98.942  1.00 25.68           C  
-ATOM    602  O   VAL A  75      37.488  62.590  99.328  1.00 26.19           O  
-ATOM    603  CB  VAL A  75      40.323  63.364  99.512  1.00 23.22           C  
-ATOM    604  CG1 VAL A  75      40.574  62.533 100.776  1.00 26.88           C  
-ATOM    605  CG2 VAL A  75      41.633  64.021  99.014  1.00 26.43           C  
-ATOM    606  N   ASP A  76      38.363  60.541  98.929  1.00 26.47           N  
-ATOM    607  CA  ASP A  76      37.202  59.742  99.314  1.00 29.15           C  
-ATOM    608  C   ASP A  76      37.181  59.600 100.835  1.00 31.34           C  
-ATOM    609  O   ASP A  76      38.169  59.191 101.451  1.00 24.61           O  
-ATOM    610  CB  ASP A  76      37.282  58.376  98.600  1.00 25.06           C  
-ATOM    611  CG  ASP A  76      36.074  57.475  98.865  1.00 31.75           C  
-ATOM    612  OD1 ASP A  76      35.563  56.883  97.886  1.00 33.14           O  
-ATOM    613  OD2 ASP A  76      35.662  57.329 100.035  1.00 29.34           O  
-ATOM    614  N   SER A  77      36.061  59.976 101.441  1.00 31.61           N  
-ATOM    615  CA  SER A  77      35.946  60.040 102.897  1.00 28.27           C  
-ATOM    616  C   SER A  77      36.069  58.665 103.568  1.00 29.69           C  
-ATOM    617  O   SER A  77      36.294  58.581 104.773  1.00 32.70           O  
-ATOM    618  CB  SER A  77      34.604  60.662 103.289  1.00 29.28           C  
-ATOM    619  OG  SER A  77      33.545  59.825 102.864  1.00 31.09           O  
-ATOM    620  N   GLU A  78      35.903  57.600 102.789  1.00 35.26           N  
-ATOM    621  CA  GLU A  78      36.014  56.237 103.315  1.00 37.68           C  
-ATOM    622  C   GLU A  78      37.345  55.637 102.894  1.00 37.87           C  
-ATOM    623  O   GLU A  78      38.204  55.350 103.730  1.00 39.13           O  
-ATOM    624  CB  GLU A  78      34.859  55.382 102.794  1.00 40.86           C  
-ATOM    625  CG  GLU A  78      34.752  53.978 103.370  1.00 51.71           C  
-ATOM    626  CD  GLU A  78      33.461  53.283 102.944  1.00 60.77           C  
-ATOM    627  OE1 GLU A  78      33.538  52.200 102.321  1.00 66.17           O  
-ATOM    628  OE2 GLU A  78      32.368  53.825 103.228  1.00 61.47           O  
-ATOM    629  N   LYS A  79      37.514  55.458 101.588  1.00 35.00           N  
-ATOM    630  CA  LYS A  79      38.740  54.925 101.027  1.00 30.31           C  
-ATOM    631  C   LYS A  79      39.970  55.742 101.457  1.00 36.38           C  
-ATOM    632  O   LYS A  79      41.032  55.187 101.719  1.00 32.84           O  
-ATOM    633  CB  LYS A  79      38.612  54.848  99.503  1.00 30.97           C  
-ATOM    634  CG  LYS A  79      39.838  54.330  98.771  1.00 45.91           C  
-ATOM    635  CD  LYS A  79      39.618  54.354  97.261  1.00 48.05           C  
-ATOM    636  CE  LYS A  79      40.895  54.701  96.498  1.00 58.56           C  
-ATOM    637  NZ  LYS A  79      41.297  56.133  96.629  1.00 35.56           N  
-ATOM    638  N   ASP A  80      39.828  57.059 101.568  1.00 31.38           N  
-ATOM    639  CA  ASP A  80      40.981  57.897 101.896  1.00 29.28           C  
-ATOM    640  C   ASP A  80      40.833  58.617 103.222  1.00 30.09           C  
-ATOM    641  O   ASP A  80      41.365  59.710 103.408  1.00 26.16           O  
-ATOM    642  CB  ASP A  80      41.246  58.899 100.769  1.00 30.98           C  
-ATOM    643  CG  ASP A  80      41.232  58.246  99.414  1.00 31.49           C  
-ATOM    644  OD1 ASP A  80      41.972  57.261  99.239  1.00 32.46           O  
-ATOM    645  OD2 ASP A  80      40.463  58.686  98.532  1.00 27.62           O  
-ATOM    646  N   ALA A  81      40.114  57.996 104.151  1.00 30.53           N  
-ATOM    647  CA  ALA A  81      39.859  58.606 105.454  1.00 28.88           C  
-ATOM    648  C   ALA A  81      41.109  59.154 106.146  1.00 27.66           C  
-ATOM    649  O   ALA A  81      41.065  60.201 106.786  1.00 29.39           O  
-ATOM    650  CB  ALA A  81      39.132  57.617 106.361  1.00 30.33           C  
-ATOM    651  N   ALA A  82      42.234  58.453 106.019  1.00 30.65           N  
-ATOM    652  CA  ALA A  82      43.445  58.866 106.709  1.00 24.24           C  
-ATOM    653  C   ALA A  82      44.086  60.106 106.101  1.00 29.92           C  
-ATOM    654  O   ALA A  82      44.634  60.957 106.808  1.00 27.34           O  
-ATOM    655  CB  ALA A  82      44.450  57.712 106.760  1.00 32.64           C  
-ATOM    656  N   VAL A  83      44.030  60.208 104.780  1.00 28.64           N  
-ATOM    657  CA  VAL A  83      44.527  61.398 104.119  1.00 30.28           C  
-ATOM    658  C   VAL A  83      43.699  62.601 104.587  1.00 20.27           C  
-ATOM    659  O   VAL A  83      44.250  63.657 104.896  1.00 28.68           O  
-ATOM    660  CB  VAL A  83      44.440  61.252 102.592  1.00 27.86           C  
-ATOM    661  CG1 VAL A  83      44.833  62.556 101.909  1.00 29.33           C  
-ATOM    662  CG2 VAL A  83      45.333  60.094 102.119  1.00 31.55           C  
-ATOM    663  N   ALA A  84      42.382  62.420 104.626  1.00 26.93           N  
-ATOM    664  CA  ALA A  84      41.476  63.501 105.004  1.00 31.50           C  
-ATOM    665  C   ALA A  84      41.847  63.989 106.389  1.00 39.00           C  
-ATOM    666  O   ALA A  84      41.973  65.197 106.630  1.00 36.64           O  
-ATOM    667  CB  ALA A  84      40.035  63.022 104.978  1.00 30.11           C  
-ATOM    668  N   LYS A  85      42.041  63.032 107.294  1.00 38.56           N  
-ATOM    669  CA  LYS A  85      42.449  63.339 108.659  1.00 35.15           C  
-ATOM    670  C   LYS A  85      43.684  64.212 108.716  1.00 36.89           C  
-ATOM    671  O   LYS A  85      43.684  65.221 109.407  1.00 44.26           O  
-ATOM    672  CB  LYS A  85      42.657  62.057 109.470  1.00 39.99           C  
-ATOM    673  CG  LYS A  85      41.796  61.998 110.724  1.00 39.51           C  
-ATOM    674  CD  LYS A  85      41.909  60.664 111.438  1.00 32.24           C  
-ATOM    675  CE  LYS A  85      41.030  60.639 112.694  1.00 42.08           C  
-ATOM    676  NZ  LYS A  85      41.592  61.394 113.856  1.00 36.08           N  
-ATOM    677  N   LYS A  86      44.732  63.840 107.984  1.00 32.43           N  
-ATOM    678  CA  LYS A  86      45.988  64.580 108.028  1.00 33.07           C  
-ATOM    679  C   LYS A  86      45.883  65.969 107.417  1.00 41.98           C  
-ATOM    680  O   LYS A  86      46.636  66.871 107.788  1.00 36.14           O  
-ATOM    681  CB  LYS A  86      47.108  63.811 107.313  1.00 40.86           C  
-ATOM    682  CG  LYS A  86      47.555  62.535 108.017  0.71 41.92           C  
-ATOM    683  CD  LYS A  86      48.653  62.803 109.043  0.96 49.50           C  
-ATOM    684  CE  LYS A  86      48.116  63.426 110.323  0.74 45.21           C  
-ATOM    685  NZ  LYS A  86      49.155  63.451 111.402  1.00 59.20           N  
-ATOM    686  N   LEU A  87      44.967  66.127 106.462  1.00 38.43           N  
-ATOM    687  CA  LEU A  87      44.828  67.377 105.715  1.00 38.07           C  
-ATOM    688  C   LEU A  87      43.714  68.247 106.274  1.00 41.29           C  
-ATOM    689  O   LEU A  87      43.530  69.380 105.843  1.00 42.81           O  
-ATOM    690  CB  LEU A  87      44.557  67.089 104.232  1.00 31.01           C  
-ATOM    691  CG  LEU A  87      45.702  66.412 103.468  1.00 27.51           C  
-ATOM    692  CD1 LEU A  87      45.294  66.175 102.011  1.00 31.42           C  
-ATOM    693  CD2 LEU A  87      46.963  67.241 103.541  1.00 29.28           C  
-ATOM    694  N   GLY A  88      42.958  67.701 107.216  1.00 38.19           N  
-ATOM    695  CA  GLY A  88      41.892  68.444 107.856  1.00 42.21           C  
-ATOM    696  C   GLY A  88      40.679  68.644 106.972  1.00 45.80           C  
-ATOM    697  O   GLY A  88      40.071  69.714 106.985  1.00 46.16           O  
-ATOM    698  N   LEU A  89      40.322  67.614 106.208  1.00 43.15           N  
-ATOM    699  CA  LEU A  89      39.147  67.661 105.346  1.00 40.10           C  
-ATOM    700  C   LEU A  89      37.934  67.110 106.082  1.00 39.18           C  
-ATOM    701  O   LEU A  89      37.816  65.903 106.263  1.00 38.14           O  
-ATOM    702  CB  LEU A  89      39.382  66.870 104.053  1.00 35.52           C  
-ATOM    703  CG  LEU A  89      40.755  67.038 103.391  1.00 30.61           C  
-ATOM    704  CD1 LEU A  89      40.831  66.183 102.143  1.00 26.39           C  
-ATOM    705  CD2 LEU A  89      41.110  68.498 103.074  1.00 31.19           C  
-ATOM    706  N   THR A  90      37.022  68.000 106.478  1.00 36.25           N  
-ATOM    707  CA  THR A  90      35.864  67.633 107.301  1.00 37.48           C  
-ATOM    708  C   THR A  90      34.536  67.786 106.576  1.00 44.80           C  
-ATOM    709  O   THR A  90      33.605  66.998 106.776  1.00 43.59           O  
-ATOM    710  CB  THR A  90      35.740  68.560 108.528  1.00 35.60           C  
-ATOM    711  OG1 THR A  90      37.040  68.987 108.958  1.00 55.12           O  
-ATOM    712  CG2 THR A  90      35.027  67.839 109.657  1.00 62.77           C  
-ATOM    713  N   GLU A  91      34.443  68.826 105.757  1.00 36.77           N  
-ATOM    714  CA  GLU A  91      33.168  69.238 105.193  1.00 38.21           C  
-ATOM    715  C   GLU A  91      32.772  68.377 103.988  1.00 41.06           C  
-ATOM    716  O   GLU A  91      33.430  68.386 102.949  1.00 38.90           O  
-ATOM    717  CB  GLU A  91      33.227  70.730 104.836  1.00 44.93           C  
-ATOM    718  CG  GLU A  91      31.892  71.353 104.445  1.00 53.59           C  
-ATOM    719  CD  GLU A  91      30.955  71.572 105.627  1.00 56.17           C  
-ATOM    720  OE1 GLU A  91      31.421  71.546 106.789  1.00 47.32           O  
-ATOM    721  OE2 GLU A  91      29.745  71.771 105.383  1.00 61.03           O  
-ATOM    722  N   GLU A  92      31.695  67.626 104.146  1.00 31.80           N  
-ATOM    723  CA  GLU A  92      31.235  66.699 103.119  1.00 43.51           C  
-ATOM    724  C   GLU A  92      31.116  67.350 101.742  1.00 41.50           C  
-ATOM    725  O   GLU A  92      30.708  68.503 101.623  1.00 40.88           O  
-ATOM    726  CB  GLU A  92      29.896  66.072 103.526  1.00 43.81           C  
-ATOM    727  CG  GLU A  92      29.246  65.206 102.439  1.00 54.88           C  
-ATOM    728  CD  GLU A  92      28.082  64.366 102.962  1.00 69.78           C  
-ATOM    729  OE1 GLU A  92      28.053  64.076 104.184  1.00 56.41           O  
-ATOM    730  OE2 GLU A  92      27.200  63.997 102.149  1.00 54.17           O  
-ATOM    731  N   ASP A  93      31.487  66.600 100.710  1.00 34.58           N  
-ATOM    732  CA  ASP A  93      31.344  67.050  99.330  1.00 34.36           C  
-ATOM    733  C   ASP A  93      31.767  68.515  99.172  1.00 34.09           C  
-ATOM    734  O   ASP A  93      31.015  69.319  98.631  1.00 33.38           O  
-ATOM    735  CB  ASP A  93      29.893  66.848  98.875  1.00 30.77           C  
-ATOM    736  CG  ASP A  93      29.742  66.827  97.352  1.00 46.77           C  
-ATOM    737  OD1 ASP A  93      28.592  66.925  96.867  1.00 46.81           O  
-ATOM    738  OD2 ASP A  93      30.765  66.700  96.640  1.00 34.80           O  
-ATOM    739  N   SER A  94      32.964  68.852  99.656  1.00 30.12           N  
-ATOM    740  CA  SER A  94      33.493  70.217  99.599  1.00 28.44           C  
-ATOM    741  C   SER A  94      34.890  70.311  99.001  1.00 31.26           C  
-ATOM    742  O   SER A  94      35.674  69.346  99.047  1.00 25.91           O  
-ATOM    743  CB  SER A  94      33.515  70.834 100.989  1.00 36.58           C  
-ATOM    744  OG  SER A  94      32.191  70.939 101.479  1.00 41.14           O  
-ATOM    745  N   ILE A  95      35.199  71.483  98.453  1.00 25.92           N  
-ATOM    746  CA  ILE A  95      36.503  71.748  97.843  1.00 24.90           C  
-ATOM    747  C   ILE A  95      37.457  72.495  98.782  1.00 28.13           C  
-ATOM    748  O   ILE A  95      37.121  73.563  99.310  1.00 28.50           O  
-ATOM    749  CB  ILE A  95      36.352  72.549  96.521  1.00 23.19           C  
-ATOM    750  CG1 ILE A  95      35.599  71.724  95.477  1.00 21.03           C  
-ATOM    751  CG2 ILE A  95      37.721  72.964  95.986  1.00 24.41           C  
-ATOM    752  CD1 ILE A  95      35.354  72.465  94.167  1.00 24.47           C  
-ATOM    753  N   TYR A  96      38.643  71.922  98.993  1.00 18.60           N  
-ATOM    754  CA  TYR A  96      39.722  72.584  99.734  1.00 21.73           C  
-ATOM    755  C   TYR A  96      40.863  72.961  98.802  1.00 26.14           C  
-ATOM    756  O   TYR A  96      41.264  72.163  97.964  1.00 26.88           O  
-ATOM    757  CB  TYR A  96      40.266  71.656 100.827  1.00 24.58           C  
-ATOM    758  CG  TYR A  96      39.311  71.412 101.965  1.00 24.01           C  
-ATOM    759  CD1 TYR A  96      38.286  70.484 101.846  1.00 26.57           C  
-ATOM    760  CD2 TYR A  96      39.438  72.107 103.165  1.00 33.30           C  
-ATOM    761  CE1 TYR A  96      37.418  70.246 102.884  1.00 32.84           C  
-ATOM    762  CE2 TYR A  96      38.562  71.880 104.217  1.00 28.96           C  
-ATOM    763  CZ  TYR A  96      37.557  70.946 104.069  1.00 34.38           C  
-ATOM    764  OH  TYR A  96      36.674  70.693 105.096  1.00 38.32           O  
-ATOM    765  N   VAL A  97      41.391  74.171  98.958  1.00 19.05           N  
-ATOM    766  CA  VAL A  97      42.460  74.650  98.112  1.00 20.87           C  
-ATOM    767  C   VAL A  97      43.705  74.912  98.933  1.00 23.87           C  
-ATOM    768  O   VAL A  97      43.646  75.591  99.965  1.00 28.49           O  
-ATOM    769  CB  VAL A  97      42.043  75.926  97.368  1.00 17.21           C  
-ATOM    770  CG1 VAL A  97      43.161  76.443  96.508  1.00 20.68           C  
-ATOM    771  CG2 VAL A  97      40.781  75.637  96.500  1.00 19.51           C  
-ATOM    772  N   PHE A  98      44.828  74.366  98.474  1.00 20.44           N  
-ATOM    773  CA  PHE A  98      46.097  74.465  99.186  1.00 25.99           C  
-ATOM    774  C   PHE A  98      47.097  75.256  98.378  1.00 30.31           C  
-ATOM    775  O   PHE A  98      47.278  75.013  97.186  1.00 28.87           O  
-ATOM    776  CB  PHE A  98      46.681  73.070  99.450  1.00 25.09           C  
-ATOM    777  CG  PHE A  98      45.848  72.235 100.357  1.00 24.04           C  
-ATOM    778  CD1 PHE A  98      44.811  71.480  99.858  1.00 24.78           C  
-ATOM    779  CD2 PHE A  98      46.090  72.210 101.715  1.00 32.12           C  
-ATOM    780  CE1 PHE A  98      44.033  70.716 100.692  1.00 24.50           C  
-ATOM    781  CE2 PHE A  98      45.312  71.444 102.550  1.00 26.20           C  
-ATOM    782  CZ  PHE A  98      44.287  70.697 102.043  1.00 24.88           C  
-ATOM    783  N   LYS A  99      47.756  76.198  99.042  1.00 24.39           N  
-ATOM    784  CA  LYS A  99      48.849  76.943  98.452  1.00 24.67           C  
-ATOM    785  C   LYS A  99      49.907  77.120  99.543  1.00 35.68           C  
-ATOM    786  O   LYS A  99      49.656  77.771 100.567  1.00 32.68           O  
-ATOM    787  CB  LYS A  99      48.369  78.309  97.936  1.00 26.37           C  
-ATOM    788  CG  LYS A  99      49.448  79.100  97.211  1.00 25.00           C  
-ATOM    789  CD  LYS A  99      49.043  80.550  96.941  1.00 24.39           C  
-ATOM    790  CE  LYS A  99      50.183  81.352  96.327  1.00 22.82           C  
-ATOM    791  NZ  LYS A  99      49.803  82.763  96.001  1.00 25.23           N  
-ATOM    792  N   GLU A 100      51.075  76.516  99.342  1.00 46.76           N  
-ATOM    793  CA  GLU A 100      52.135  76.567 100.352  1.00 42.56           C  
-ATOM    794  C   GLU A 100      51.610  76.160 101.737  1.00 39.97           C  
-ATOM    795  O   GLU A 100      51.182  75.020 101.936  1.00 50.38           O  
-ATOM    796  CB  GLU A 100      52.734  77.971 100.400  1.00 51.28           C  
-ATOM    797  CG  GLU A 100      53.355  78.412  99.084  1.00 52.10           C  
-ATOM    798  CD  GLU A 100      53.359  79.921  98.910  1.00 58.30           C  
-ATOM    799  OE1 GLU A 100      52.811  80.628  99.787  1.00 58.58           O  
-ATOM    800  OE2 GLU A 100      53.900  80.397  97.886  1.00 57.82           O  
-ATOM    801  N   ASP A 101      51.627  77.097 102.686  1.00 58.36           N  
-ATOM    802  CA  ASP A 101      51.212  76.812 104.067  1.00 54.07           C  
-ATOM    803  C   ASP A 101      49.812  77.311 104.413  1.00 55.16           C  
-ATOM    804  O   ASP A 101      49.494  77.526 105.587  1.00 49.70           O  
-ATOM    805  CB  ASP A 101      52.213  77.400 105.069  1.00 66.26           C  
-ATOM    806  CG  ASP A 101      53.490  76.584 105.172  1.00 85.04           C  
-ATOM    807  OD1 ASP A 101      54.175  76.682 106.214  1.00 88.45           O  
-ATOM    808  OD2 ASP A 101      53.807  75.843 104.215  1.00 80.66           O  
-ATOM    809  N   GLU A 102      48.976  77.497 103.399  1.00 50.89           N  
-ATOM    810  CA  GLU A 102      47.614  77.962 103.627  1.00 40.40           C  
-ATOM    811  C   GLU A 102      46.605  76.981 103.027  1.00 38.52           C  
-ATOM    812  O   GLU A 102      46.783  76.482 101.919  1.00 33.48           O  
-ATOM    813  CB  GLU A 102      47.409  79.375 103.048  1.00 50.36           C  
-ATOM    814  CG  GLU A 102      48.343  80.470 103.613  1.00 51.37           C  
-ATOM    815  CD  GLU A 102      47.945  80.957 105.010  1.00 55.47           C  
-ATOM    816  OE1 GLU A 102      48.849  81.346 105.786  1.00 63.10           O  
-ATOM    817  OE2 GLU A 102      46.733  80.961 105.331  1.00 48.64           O  
-ATOM    818  N   VAL A 103      45.557  76.691 103.783  1.00 34.92           N  
-ATOM    819  CA  VAL A 103      44.423  75.957 103.261  1.00 41.57           C  
-ATOM    820  C   VAL A 103      43.268  76.937 103.153  1.00 39.67           C  
-ATOM    821  O   VAL A 103      43.073  77.761 104.047  1.00 36.54           O  
-ATOM    822  CB  VAL A 103      44.015  74.819 104.207  1.00 34.58           C  
-ATOM    823  CG1 VAL A 103      43.042  73.863 103.513  1.00 29.56           C  
-ATOM    824  CG2 VAL A 103      45.251  74.087 104.698  1.00 44.95           C  
-ATOM    825  N   ILE A 104      42.523  76.855 102.055  1.00 31.67           N  
-ATOM    826  CA  ILE A 104      41.275  77.611 101.881  1.00 37.56           C  
-ATOM    827  C   ILE A 104      40.103  76.658 101.792  1.00 34.62           C  
-ATOM    828  O   ILE A 104      40.134  75.704 101.004  1.00 32.84           O  
-ATOM    829  CB  ILE A 104      41.256  78.381 100.570  1.00 42.56           C  
-ATOM    830  CG1 ILE A 104      42.347  79.445 100.551  1.00 38.23           C  
-ATOM    831  CG2 ILE A 104      39.849  78.977 100.331  1.00 36.86           C  
-ATOM    832  CD1 ILE A 104      42.402  80.210  99.252  1.00 35.12           C  
-ATOM    833  N   GLU A 105      39.060  76.899 102.578  1.00 33.78           N  
-ATOM    834  CA  GLU A 105      37.872  76.066 102.482  1.00 35.12           C  
-ATOM    835  C   GLU A 105      36.852  76.728 101.557  1.00 40.81           C  
-ATOM    836  O   GLU A 105      35.999  77.492 102.003  1.00 42.17           O  
-ATOM    837  CB  GLU A 105      37.265  75.776 103.856  1.00 39.27           C  
-ATOM    838  CG  GLU A 105      36.092  74.800 103.782  1.00 42.33           C  
-ATOM    839  CD  GLU A 105      35.227  74.802 105.030  1.00 61.73           C  
-ATOM    840  OE1 GLU A 105      35.789  74.940 106.140  1.00 63.93           O  
-ATOM    841  OE2 GLU A 105      33.987  74.672 104.893  1.00 50.39           O  
-ATOM    842  N   TYR A 106      36.965  76.428 100.265  1.00 30.51           N  
-ATOM    843  CA  TYR A 106      36.124  77.010  99.222  1.00 27.91           C  
-ATOM    844  C   TYR A 106      34.628  76.885  99.548  1.00 20.92           C  
-ATOM    845  O   TYR A 106      34.140  75.830  99.950  1.00 30.70           O  
-ATOM    846  CB  TYR A 106      36.448  76.370  97.863  1.00 26.68           C  
-ATOM    847  CG  TYR A 106      35.733  76.991  96.687  1.00 18.27           C  
-ATOM    848  CD1 TYR A 106      36.074  78.256  96.223  1.00 22.31           C  
-ATOM    849  CD2 TYR A 106      34.706  76.315  96.042  1.00 25.78           C  
-ATOM    850  CE1 TYR A 106      35.417  78.828  95.147  1.00 25.91           C  
-ATOM    851  CE2 TYR A 106      34.057  76.871  94.960  1.00 21.14           C  
-ATOM    852  CZ  TYR A 106      34.403  78.128  94.519  1.00 22.09           C  
-ATOM    853  OH  TYR A 106      33.736  78.681  93.442  1.00 22.52           O  
-ATOM    854  N   ASP A 107      33.912  77.987  99.394  1.00 29.24           N  
-ATOM    855  CA  ASP A 107      32.509  78.013  99.773  1.00 31.29           C  
-ATOM    856  C   ASP A 107      31.755  78.775  98.679  1.00 33.99           C  
-ATOM    857  O   ASP A 107      30.856  79.575  98.959  1.00 27.51           O  
-ATOM    858  CB  ASP A 107      32.354  78.649 101.163  1.00 29.85           C  
-ATOM    859  CG  ASP A 107      31.233  78.018 101.986  1.00 39.37           C  
-ATOM    860  OD1 ASP A 107      30.604  77.040 101.520  1.00 38.44           O  
-ATOM    861  OD2 ASP A 107      30.978  78.505 103.114  1.00 34.97           O  
-ATOM    862  N   GLY A 108      32.140  78.508  97.430  1.00 24.35           N  
-ATOM    863  CA  GLY A 108      31.542  79.151  96.272  1.00 21.21           C  
-ATOM    864  C   GLY A 108      30.919  78.186  95.273  1.00 23.49           C  
-ATOM    865  O   GLY A 108      30.871  76.983  95.473  1.00 19.34           O  
-ATOM    866  N   GLU A 109      30.460  78.748  94.168  1.00 17.41           N  
-ATOM    867  CA  GLU A 109      29.776  78.025  93.124  1.00 17.04           C  
-ATOM    868  C   GLU A 109      30.680  76.924  92.560  1.00 20.33           C  
-ATOM    869  O   GLU A 109      31.859  77.153  92.315  1.00 19.73           O  
-ATOM    870  CB  GLU A 109      29.422  79.039  92.041  1.00 18.59           C  
-ATOM    871  CG  GLU A 109      28.570  78.557  90.910  1.00 24.05           C  
-ATOM    872  CD  GLU A 109      28.352  79.678  89.913  1.00 23.86           C  
-ATOM    873  OE1 GLU A 109      27.369  80.407  90.068  1.00 24.25           O  
-ATOM    874  OE2 GLU A 109      29.199  79.876  89.019  1.00 26.57           O  
-ATOM    875  N   PHE A 110      30.109  75.742  92.362  1.00 18.38           N  
-ATOM    876  CA  PHE A 110      30.840  74.594  91.824  1.00 19.27           C  
-ATOM    877  C   PHE A 110      30.648  74.621  90.318  1.00 19.11           C  
-ATOM    878  O   PHE A 110      29.894  73.821  89.761  1.00 18.97           O  
-ATOM    879  CB  PHE A 110      30.288  73.280  92.401  1.00 21.15           C  
-ATOM    880  CG  PHE A 110      31.278  72.126  92.373  1.00 22.51           C  
-ATOM    881  CD1 PHE A 110      32.033  71.856  91.228  1.00 21.34           C  
-ATOM    882  CD2 PHE A 110      31.453  71.321  93.492  1.00 25.82           C  
-ATOM    883  CE1 PHE A 110      32.960  70.805  91.202  1.00 21.15           C  
-ATOM    884  CE2 PHE A 110      32.345  70.252  93.473  1.00 21.09           C  
-ATOM    885  CZ  PHE A 110      33.115  69.999  92.326  1.00 22.57           C  
-ATOM    886  N   SER A 111      31.310  75.574  89.665  1.00 15.44           N  
-ATOM    887  CA  SER A 111      31.291  75.645  88.214  1.00 16.61           C  
-ATOM    888  C   SER A 111      32.716  75.840  87.723  1.00 15.47           C  
-ATOM    889  O   SER A 111      33.575  76.381  88.443  1.00 15.80           O  
-ATOM    890  CB  SER A 111      30.428  76.811  87.733  1.00 21.28           C  
-ATOM    891  OG  SER A 111      31.008  78.036  88.149  1.00 27.84           O  
-ATOM    892  N   ALA A 112      32.967  75.395  86.504  1.00 14.35           N  
-ATOM    893  CA  ALA A 112      34.304  75.527  85.933  1.00 18.66           C  
-ATOM    894  C   ALA A 112      34.712  76.992  85.869  1.00 19.48           C  
-ATOM    895  O   ALA A 112      35.799  77.338  86.282  1.00 15.55           O  
-ATOM    896  CB  ALA A 112      34.375  74.887  84.551  1.00 21.01           C  
-ATOM    897  N   ASP A 113      33.859  77.858  85.341  1.00 17.23           N  
-ATOM    898  CA AASP A 113      34.134  79.305  85.258  0.55 19.14           C  
-ATOM    899  CA BASP A 113      34.319  79.235  85.219  0.45 18.90           C  
-ATOM    900  C   ASP A 113      34.624  79.882  86.572  1.00 19.22           C  
-ATOM    901  O   ASP A 113      35.631  80.578  86.669  1.00 18.91           O  
-ATOM    902  CB AASP A 113      32.838  80.054  84.919  0.55 20.64           C  
-ATOM    903  CB BASP A 113      33.408  80.102  84.344  0.45 22.09           C  
-ATOM    904  CG AASP A 113      32.497  80.004  83.459  0.55 25.39           C  
-ATOM    905  CG BASP A 113      31.978  80.024  84.756  0.45 19.53           C  
-ATOM    906  OD1AASP A 113      31.449  80.576  83.080  0.55 26.50           O  
-ATOM    907  OD1BASP A 113      31.728  79.539  85.876  0.45 22.35           O  
-ATOM    908  OD2AASP A 113      33.273  79.403  82.690  0.55 19.90           O  
-ATOM    909  OD2BASP A 113      31.109  80.439  83.958  0.45 27.65           O  
-ATOM    910  N   THR A 114      33.833  79.616  87.604  1.00 17.56           N  
-ATOM    911  CA  THR A 114      34.059  80.226  88.908  1.00 17.00           C  
-ATOM    912  C   THR A 114      35.308  79.673  89.578  1.00 20.75           C  
-ATOM    913  O   THR A 114      36.123  80.427  90.119  1.00 16.37           O  
-ATOM    914  CB  THR A 114      32.814  80.090  89.810  1.00 18.32           C  
-ATOM    915  OG1 THR A 114      31.730  80.797  89.192  1.00 22.49           O  
-ATOM    916  CG2 THR A 114      33.071  80.697  91.191  1.00 21.35           C  
-ATOM    917  N   LEU A 115      35.472  78.358  89.507  1.00 18.63           N  
-ATOM    918  CA  LEU A 115      36.643  77.713  90.074  1.00 18.32           C  
-ATOM    919  C   LEU A 115      37.932  78.166  89.395  1.00 14.13           C  
-ATOM    920  O   LEU A 115      38.928  78.440  90.071  1.00 14.89           O  
-ATOM    921  CB  LEU A 115      36.491  76.189  90.026  1.00 15.28           C  
-ATOM    922  CG  LEU A 115      35.628  75.603  91.146  1.00 20.37           C  
-ATOM    923  CD1 LEU A 115      35.263  74.147  90.860  1.00 29.34           C  
-ATOM    924  CD2 LEU A 115      36.360  75.719  92.490  1.00 27.71           C  
-ATOM    925  N   VAL A 116      37.919  78.248  88.068  1.00 16.37           N  
-ATOM    926  CA  VAL A 116      39.112  78.694  87.345  1.00 15.38           C  
-ATOM    927  C   VAL A 116      39.467  80.137  87.713  1.00 19.50           C  
-ATOM    928  O   VAL A 116      40.619  80.429  88.018  1.00 16.86           O  
-ATOM    929  CB  VAL A 116      38.963  78.521  85.810  1.00 18.90           C  
-ATOM    930  CG1 VAL A 116      40.068  79.296  85.056  1.00 17.06           C  
-ATOM    931  CG2 VAL A 116      38.971  77.038  85.451  1.00 16.12           C  
-ATOM    932  N   GLU A 117      38.483  81.031  87.713  1.00 17.41           N  
-ATOM    933  CA  GLU A 117      38.778  82.420  88.099  1.00 25.22           C  
-ATOM    934  C   GLU A 117      39.349  82.479  89.516  1.00 19.44           C  
-ATOM    935  O   GLU A 117      40.353  83.166  89.777  1.00 20.05           O  
-ATOM    936  CB  GLU A 117      37.530  83.314  87.986  1.00 20.43           C  
-ATOM    937  CG  GLU A 117      37.035  83.478  86.568  1.00 30.19           C  
-ATOM    938  CD  GLU A 117      36.153  84.701  86.404  1.00 51.33           C  
-ATOM    939  OE1 GLU A 117      35.153  84.620  85.660  1.00 40.67           O  
-ATOM    940  OE2 GLU A 117      36.467  85.743  87.021  1.00 63.65           O  
-ATOM    941  N   PHE A 118      38.715  81.741  90.425  1.00 17.86           N  
-ATOM    942  CA  PHE A 118      39.178  81.662  91.808  1.00 15.43           C  
-ATOM    943  C   PHE A 118      40.626  81.175  91.918  1.00 19.09           C  
-ATOM    944  O   PHE A 118      41.463  81.800  92.574  1.00 19.68           O  
-ATOM    945  CB  PHE A 118      38.230  80.787  92.655  1.00 16.49           C  
-ATOM    946  CG  PHE A 118      38.580  80.776  94.122  1.00 16.98           C  
-ATOM    947  CD1 PHE A 118      38.353  81.893  94.908  1.00 19.75           C  
-ATOM    948  CD2 PHE A 118      39.177  79.663  94.705  1.00 19.51           C  
-ATOM    949  CE1 PHE A 118      38.687  81.886  96.264  1.00 21.31           C  
-ATOM    950  CE2 PHE A 118      39.514  79.652  96.050  1.00 19.29           C  
-ATOM    951  CZ  PHE A 118      39.274  80.770  96.828  1.00 24.01           C  
-ATOM    952  N   LEU A 119      40.938  80.061  91.265  1.00 19.09           N  
-ATOM    953  CA  LEU A 119      42.286  79.505  91.372  1.00 16.29           C  
-ATOM    954  C   LEU A 119      43.325  80.417  90.727  1.00 18.34           C  
-ATOM    955  O   LEU A 119      44.453  80.506  91.207  1.00 20.80           O  
-ATOM    956  CB  LEU A 119      42.326  78.095  90.773  1.00 18.95           C  
-ATOM    957  CG  LEU A 119      41.476  77.148  91.624  1.00 17.38           C  
-ATOM    958  CD1 LEU A 119      41.126  75.872  90.883  1.00 16.19           C  
-ATOM    959  CD2 LEU A 119      42.195  76.845  92.956  1.00 19.61           C  
-ATOM    960  N   LEU A 120      42.952  81.095  89.641  1.00 18.09           N  
-ATOM    961  CA  LEU A 120      43.835  82.122  89.065  1.00 19.70           C  
-ATOM    962  C   LEU A 120      44.121  83.234  90.088  1.00 20.07           C  
-ATOM    963  O   LEU A 120      45.252  83.729  90.197  1.00 17.64           O  
-ATOM    964  CB  LEU A 120      43.245  82.693  87.775  1.00 19.83           C  
-ATOM    965  CG  LEU A 120      43.323  81.730  86.576  1.00 23.08           C  
-ATOM    966  CD1 LEU A 120      42.435  82.175  85.414  1.00 20.75           C  
-ATOM    967  CD2 LEU A 120      44.765  81.585  86.120  1.00 24.06           C  
-ATOM    968  N   ASP A 121      43.099  83.622  90.843  1.00 17.26           N  
-ATOM    969  CA  ASP A 121      43.295  84.582  91.935  1.00 22.59           C  
-ATOM    970  C   ASP A 121      44.181  84.005  93.046  1.00 20.97           C  
-ATOM    971  O   ASP A 121      45.027  84.699  93.602  1.00 20.00           O  
-ATOM    972  CB  ASP A 121      41.953  85.033  92.529  1.00 23.04           C  
-ATOM    973  CG  ASP A 121      41.135  85.869  91.563  1.00 23.55           C  
-ATOM    974  OD1 ASP A 121      41.708  86.458  90.619  1.00 21.38           O  
-ATOM    975  OD2 ASP A 121      39.911  85.932  91.761  1.00 22.25           O  
-ATOM    976  N   VAL A 122      43.995  82.734  93.383  1.00 16.01           N  
-ATOM    977  CA  VAL A 122      44.851  82.126  94.406  1.00 26.33           C  
-ATOM    978  C   VAL A 122      46.344  82.185  94.005  1.00 23.30           C  
-ATOM    979  O   VAL A 122      47.236  82.468  94.828  1.00 19.08           O  
-ATOM    980  CB  VAL A 122      44.430  80.659  94.696  1.00 21.80           C  
-ATOM    981  CG1 VAL A 122      45.424  79.979  95.627  1.00 19.98           C  
-ATOM    982  CG2 VAL A 122      43.039  80.613  95.309  1.00 21.10           C  
-ATOM    983  N   LEU A 123      46.609  81.923  92.733  1.00 21.36           N  
-ATOM    984  CA  LEU A 123      47.981  81.922  92.226  1.00 21.59           C  
-ATOM    985  C   LEU A 123      48.706  83.257  92.397  1.00 31.42           C  
-ATOM    986  O   LEU A 123      49.935  83.297  92.514  1.00 25.74           O  
-ATOM    987  CB  LEU A 123      47.999  81.524  90.755  1.00 21.39           C  
-ATOM    988  CG  LEU A 123      47.897  80.037  90.411  1.00 24.53           C  
-ATOM    989  CD1 LEU A 123      47.604  79.882  88.927  1.00 24.43           C  
-ATOM    990  CD2 LEU A 123      49.170  79.273  90.795  1.00 24.97           C  
-ATOM    991  N   GLU A 124      47.954  84.348  92.391  1.00 23.83           N  
-ATOM    992  CA  GLU A 124      48.544  85.679  92.487  1.00 29.72           C  
-ATOM    993  C   GLU A 124      49.183  85.923  93.855  1.00 23.81           C  
-ATOM    994  O   GLU A 124      48.772  85.330  94.856  1.00 23.21           O  
-ATOM    995  CB  GLU A 124      47.485  86.753  92.210  1.00 25.50           C  
-ATOM    996  CG  GLU A 124      47.014  86.798  90.774  1.00 23.90           C  
-ATOM    997  CD  GLU A 124      48.162  87.044  89.798  1.00 48.59           C  
-ATOM    998  OE1 GLU A 124      48.911  88.022  89.992  1.00 39.87           O  
-ATOM    999  OE2 GLU A 124      48.328  86.252  88.842  1.00 49.55           O  
-ATOM   1000  N   ASP A 125      50.173  86.812  93.903  1.00 25.85           N  
-ATOM   1001  CA  ASP A 125      50.782  87.190  95.180  1.00 21.38           C  
-ATOM   1002  C   ASP A 125      49.737  87.848  96.070  1.00 23.81           C  
-ATOM   1003  O   ASP A 125      48.853  88.534  95.577  1.00 23.47           O  
-ATOM   1004  CB  ASP A 125      51.963  88.150  94.965  1.00 27.91           C  
-ATOM   1005  CG  ASP A 125      53.156  87.473  94.324  1.00 35.28           C  
-ATOM   1006  OD1 ASP A 125      53.209  86.227  94.347  1.00 30.81           O  
-ATOM   1007  OD2 ASP A 125      54.039  88.184  93.803  1.00 34.49           O  
-ATOM   1008  N   PRO A 126      49.839  87.642  97.392  1.00 24.80           N  
-ATOM   1009  CA  PRO A 126      48.791  88.086  98.323  1.00 23.46           C  
-ATOM   1010  C   PRO A 126      48.694  89.604  98.506  1.00 26.80           C  
-ATOM   1011  O   PRO A 126      47.628  90.087  98.864  1.00 24.28           O  
-ATOM   1012  CB  PRO A 126      49.196  87.427  99.647  1.00 26.86           C  
-ATOM   1013  CG  PRO A 126      50.691  87.282  99.538  1.00 33.97           C  
-ATOM   1014  CD  PRO A 126      50.937  86.945  98.079  1.00 26.29           C  
-ATOM   1015  N   VAL A 127      49.780  90.347  98.308  1.00 22.79           N  
-ATOM   1016  CA  VAL A 127      49.702  91.802  98.432  1.00 24.42           C  
-ATOM   1017  C   VAL A 127      49.886  92.461  97.076  1.00 23.06           C  
-ATOM   1018  O   VAL A 127      50.796  92.113  96.329  1.00 22.52           O  
-ATOM   1019  CB  VAL A 127      50.740  92.348  99.457  1.00 19.22           C  
-ATOM   1020  CG1 VAL A 127      50.770  93.898  99.449  1.00 18.97           C  
-ATOM   1021  CG2 VAL A 127      50.426  91.810 100.844  1.00 18.54           C  
-ATOM   1022  N   GLU A 128      49.006  93.401  96.749  1.00 20.06           N  
-ATOM   1023  CA  GLU A 128      49.169  94.185  95.543  1.00 24.16           C  
-ATOM   1024  C   GLU A 128      49.829  95.524  95.854  1.00 26.88           C  
-ATOM   1025  O   GLU A 128      49.331  96.326  96.636  1.00 18.93           O  
-ATOM   1026  CB  GLU A 128      47.836  94.381  94.812  1.00 27.10           C  
-ATOM   1027  CG  GLU A 128      47.190  93.066  94.429  1.00 38.95           C  
-ATOM   1028  CD  GLU A 128      45.808  93.247  93.842  1.00 54.68           C  
-ATOM   1029  OE1 GLU A 128      45.701  94.012  92.859  1.00 51.18           O  
-ATOM   1030  OE2 GLU A 128      44.841  92.632  94.368  1.00 50.41           O  
-ATOM   1031  N   LEU A 129      50.979  95.753  95.243  1.00 21.63           N  
-ATOM   1032  CA ALEU A 129      51.717  96.991  95.458  0.57 26.21           C  
-ATOM   1033  CA BLEU A 129      51.704  96.992  95.478  0.43 26.22           C  
-ATOM   1034  C   LEU A 129      51.192  98.079  94.539  1.00 29.01           C  
-ATOM   1035  O   LEU A 129      50.926  97.825  93.367  1.00 33.62           O  
-ATOM   1036  CB ALEU A 129      53.208  96.777  95.184  0.57 29.58           C  
-ATOM   1037  CB BLEU A 129      53.208  96.765  95.295  0.43 29.53           C  
-ATOM   1038  CG ALEU A 129      54.041  95.923  96.141  0.57 31.69           C  
-ATOM   1039  CG BLEU A 129      54.190  97.777  95.896  0.43 29.29           C  
-ATOM   1040  CD1ALEU A 129      54.054  96.548  97.526  0.57 26.68           C  
-ATOM   1041  CD1BLEU A 129      54.020  99.132  95.263  0.43 36.98           C  
-ATOM   1042  CD2ALEU A 129      53.557  94.490  96.202  0.57 34.23           C  
-ATOM   1043  CD2BLEU A 129      54.036  97.871  97.401  0.43 27.11           C  
-ATOM   1044  N   ILE A 130      51.046  99.288  95.071  1.00 24.08           N  
-ATOM   1045  CA  ILE A 130      50.615 100.438  94.286  1.00 25.38           C  
-ATOM   1046  C   ILE A 130      51.796 101.376  94.010  1.00 40.01           C  
-ATOM   1047  O   ILE A 130      52.335 102.007  94.927  1.00 39.63           O  
-ATOM   1048  CB  ILE A 130      49.510 101.237  95.007  1.00 28.69           C  
-ATOM   1049  CG1 ILE A 130      48.204 100.430  95.056  1.00 29.62           C  
-ATOM   1050  CG2 ILE A 130      49.278 102.582  94.314  1.00 31.46           C  
-ATOM   1051  CD1 ILE A 130      47.145 101.037  95.949  1.00 31.43           C  
-ATOM   1052  N   GLU A 131      52.193 101.467  92.747  1.00 38.67           N  
-ATOM   1053  CA  GLU A 131      53.255 102.393  92.351  1.00 45.15           C  
-ATOM   1054  C   GLU A 131      52.740 103.496  91.423  1.00 51.39           C  
-ATOM   1055  O   GLU A 131      52.922 104.686  91.698  1.00 56.38           O  
-ATOM   1056  CB  GLU A 131      54.396 101.634  91.674  1.00 57.52           C  
-ATOM   1057  CG  GLU A 131      55.072 100.613  92.575  1.00 55.35           C  
-ATOM   1058  CD  GLU A 131      55.941  99.641  91.809  1.00 60.08           C  
-ATOM   1059  OE1 GLU A 131      56.001  98.457  92.203  1.00 55.96           O  
-ATOM   1060  OE2 GLU A 131      56.570 100.062  90.815  1.00 74.38           O  
-ATOM   1061  N   GLY A 132      52.092 103.097  90.329  1.00 35.31           N  
-ATOM   1062  CA  GLY A 132      51.668 104.038  89.303  1.00 44.47           C  
-ATOM   1063  C   GLY A 132      50.313 104.678  89.538  1.00 49.21           C  
-ATOM   1064  O   GLY A 132      49.564 104.286  90.442  1.00 35.12           O  
-ATOM   1065  N   GLU A 133      49.995 105.679  88.724  1.00 36.55           N  
-ATOM   1066  CA  GLU A 133      48.686 106.313  88.799  1.00 44.38           C  
-ATOM   1067  C   GLU A 133      47.601 105.337  88.365  1.00 36.20           C  
-ATOM   1068  O   GLU A 133      46.525 105.309  88.951  1.00 39.55           O  
-ATOM   1069  CB  GLU A 133      48.638 107.594  87.964  1.00 45.97           C  
-ATOM   1070  CG  GLU A 133      48.619 108.864  88.807  1.00 55.76           C  
-ATOM   1071  CD  GLU A 133      47.329 109.023  89.609  1.00 62.69           C  
-ATOM   1072  OE1 GLU A 133      46.274 108.519  89.160  1.00 62.47           O  
-ATOM   1073  OE2 GLU A 133      47.368 109.654  90.690  1.00 59.84           O  
-ATOM   1074  N   ARG A 134      47.892 104.524  87.352  1.00 36.60           N  
-ATOM   1075  CA  ARG A 134      46.943 103.509  86.913  1.00 43.67           C  
-ATOM   1076  C   ARG A 134      46.524 102.626  88.095  1.00 33.38           C  
-ATOM   1077  O   ARG A 134      45.336 102.420  88.338  1.00 27.87           O  
-ATOM   1078  CB  ARG A 134      47.536 102.651  85.787  1.00 41.66           C  
-ATOM   1079  CG  ARG A 134      46.633 101.502  85.338  1.00 47.08           C  
-ATOM   1080  CD  ARG A 134      47.230 100.696  84.174  1.00 47.46           C  
-ATOM   1081  NE  ARG A 134      47.117 101.398  82.895  1.00 39.45           N  
-ATOM   1082  CZ  ARG A 134      48.141 101.908  82.218  1.00 55.52           C  
-ATOM   1083  NH1 ARG A 134      49.380 101.788  82.686  1.00 48.92           N  
-ATOM   1084  NH2 ARG A 134      47.924 102.536  81.066  1.00 51.39           N  
-ATOM   1085  N   GLU A 135      47.508 102.118  88.826  1.00 30.38           N  
-ATOM   1086  CA  GLU A 135      47.248 101.202  89.933  1.00 33.33           C  
-ATOM   1087  C   GLU A 135      46.518 101.858  91.097  1.00 29.04           C  
-ATOM   1088  O   GLU A 135      45.654 101.239  91.705  1.00 30.44           O  
-ATOM   1089  CB  GLU A 135      48.548 100.570  90.421  1.00 34.04           C  
-ATOM   1090  CG  GLU A 135      49.265  99.765  89.364  1.00 39.07           C  
-ATOM   1091  CD  GLU A 135      50.562  99.186  89.874  1.00 53.09           C  
-ATOM   1092  OE1 GLU A 135      50.863  98.026  89.519  1.00 58.06           O  
-ATOM   1093  OE2 GLU A 135      51.276  99.892  90.630  1.00 48.63           O  
-ATOM   1094  N   LEU A 136      46.868 103.099  91.416  1.00 29.49           N  
-ATOM   1095  CA  LEU A 136      46.171 103.833  92.472  1.00 26.65           C  
-ATOM   1096  C   LEU A 136      44.713 104.042  92.093  1.00 34.51           C  
-ATOM   1097  O   LEU A 136      43.799 103.813  92.894  1.00 27.31           O  
-ATOM   1098  CB  LEU A 136      46.834 105.190  92.726  1.00 29.77           C  
-ATOM   1099  CG  LEU A 136      46.077 106.135  93.668  1.00 25.04           C  
-ATOM   1100  CD1 LEU A 136      45.967 105.545  95.066  1.00 32.13           C  
-ATOM   1101  CD2 LEU A 136      46.746 107.523  93.722  1.00 39.44           C  
-ATOM   1102  N   GLN A 137      44.499 104.484  90.861  1.00 25.59           N  
-ATOM   1103  CA  GLN A 137      43.148 104.696  90.375  1.00 32.44           C  
-ATOM   1104  C   GLN A 137      42.346 103.410  90.472  1.00 28.84           C  
-ATOM   1105  O   GLN A 137      41.187 103.427  90.891  1.00 27.58           O  
-ATOM   1106  CB  GLN A 137      43.165 105.198  88.934  1.00 32.24           C  
-ATOM   1107  CG  GLN A 137      43.356 106.681  88.849  1.00 46.56           C  
-ATOM   1108  CD  GLN A 137      42.445 107.405  89.814  1.00 60.34           C  
-ATOM   1109  OE1 GLN A 137      41.227 107.167  89.838  1.00 54.07           O  
-ATOM   1110  NE2 GLN A 137      43.028 108.278  90.638  1.00 52.77           N  
-ATOM   1111  N   ALA A 138      42.956 102.303  90.061  1.00 30.44           N  
-ATOM   1112  CA  ALA A 138      42.293 101.009  90.147  1.00 29.45           C  
-ATOM   1113  C   ALA A 138      41.901 100.708  91.591  1.00 27.88           C  
-ATOM   1114  O   ALA A 138      40.779 100.269  91.864  1.00 24.72           O  
-ATOM   1115  CB  ALA A 138      43.171  99.935  89.609  1.00 30.06           C  
-ATOM   1116  N   PHE A 139      42.820 100.946  92.515  1.00 25.68           N  
-ATOM   1117  CA  PHE A 139      42.506 100.739  93.932  1.00 25.18           C  
-ATOM   1118  C   PHE A 139      41.324 101.602  94.355  1.00 23.44           C  
-ATOM   1119  O   PHE A 139      40.378 101.137  95.001  1.00 21.22           O  
-ATOM   1120  CB  PHE A 139      43.696 101.068  94.839  1.00 22.97           C  
-ATOM   1121  CG  PHE A 139      43.313 101.160  96.285  1.00 22.45           C  
-ATOM   1122  CD1 PHE A 139      43.174 100.004  97.050  1.00 17.39           C  
-ATOM   1123  CD2 PHE A 139      43.031 102.387  96.865  1.00 22.73           C  
-ATOM   1124  CE1 PHE A 139      42.791 100.078  98.385  1.00 18.13           C  
-ATOM   1125  CE2 PHE A 139      42.637 102.472  98.195  1.00 22.43           C  
-ATOM   1126  CZ  PHE A 139      42.511 101.313  98.955  1.00 18.41           C  
-ATOM   1127  N   GLU A 140      41.385 102.881  94.020  1.00 23.50           N  
-ATOM   1128  CA  GLU A 140      40.309 103.783  94.413  1.00 23.86           C  
-ATOM   1129  C   GLU A 140      38.962 103.342  93.828  1.00 26.79           C  
-ATOM   1130  O   GLU A 140      37.929 103.476  94.476  1.00 26.36           O  
-ATOM   1131  CB  GLU A 140      40.651 105.232  94.044  1.00 30.63           C  
-ATOM   1132  CG  GLU A 140      41.813 105.803  94.853  1.00 31.93           C  
-ATOM   1133  CD  GLU A 140      42.314 107.157  94.336  1.00 45.22           C  
-ATOM   1134  OE1 GLU A 140      42.241 107.412  93.113  1.00 42.19           O  
-ATOM   1135  OE2 GLU A 140      42.793 107.965  95.161  1.00 50.09           O  
-ATOM   1136  N   ASN A 141      38.968 102.773  92.628  1.00 23.78           N  
-ATOM   1137  CA  ASN A 141      37.699 102.365  91.995  1.00 32.57           C  
-ATOM   1138  C   ASN A 141      37.019 101.097  92.555  1.00 29.41           C  
-ATOM   1139  O   ASN A 141      35.850 100.835  92.274  1.00 26.18           O  
-ATOM   1140  CB  ASN A 141      37.859 102.256  90.474  1.00 31.66           C  
-ATOM   1141  CG  ASN A 141      38.049 103.612  89.813  1.00 48.48           C  
-ATOM   1142  OD1 ASN A 141      37.603 104.638  90.334  1.00 48.79           O  
-ATOM   1143  ND2 ASN A 141      38.707 103.623  88.657  1.00 45.75           N  
-ATOM   1144  N   ILE A 142      37.735 100.318  93.355  1.00 22.11           N  
-ATOM   1145  CA  ILE A 142      37.132  99.155  93.992  1.00 18.81           C  
-ATOM   1146  C   ILE A 142      36.088  99.565  95.035  1.00 20.43           C  
-ATOM   1147  O   ILE A 142      36.394 100.342  95.929  1.00 24.54           O  
-ATOM   1148  CB  ILE A 142      38.194  98.294  94.697  1.00 16.91           C  
-ATOM   1149  CG1 ILE A 142      39.198  97.745  93.682  1.00 23.41           C  
-ATOM   1150  CG2 ILE A 142      37.531  97.162  95.485  1.00 16.71           C  
-ATOM   1151  CD1 ILE A 142      40.326  96.977  94.311  1.00 24.10           C  
-ATOM   1152  N   GLU A 143      34.858  99.059  94.916  1.00 19.34           N  
-ATOM   1153  CA  GLU A 143      33.866  99.281  95.971  1.00 24.33           C  
-ATOM   1154  C   GLU A 143      33.057  98.058  96.385  1.00 20.92           C  
-ATOM   1155  O   GLU A 143      32.472  98.056  97.462  1.00 22.95           O  
-ATOM   1156  CB  GLU A 143      32.926 100.430  95.622  1.00 29.51           C  
-ATOM   1157  CG  GLU A 143      32.227 100.255  94.313  1.00 32.25           C  
-ATOM   1158  CD  GLU A 143      31.427 101.483  93.938  0.34 36.36           C  
-ATOM   1159  OE1 GLU A 143      30.322 101.640  94.479  1.00 31.99           O  
-ATOM   1160  OE2 GLU A 143      31.904 102.299  93.120  1.00 51.61           O  
-ATOM   1161  N   ASP A 144      33.055  96.999  95.581  1.00 17.71           N  
-ATOM   1162  CA  ASP A 144      32.144  95.887  95.868  1.00 20.08           C  
-ATOM   1163  C   ASP A 144      32.736  94.812  96.760  1.00 25.46           C  
-ATOM   1164  O   ASP A 144      32.166  93.731  96.938  1.00 23.67           O  
-ATOM   1165  CB  ASP A 144      31.543  95.303  94.583  1.00 21.65           C  
-ATOM   1166  CG  ASP A 144      32.535  94.505  93.761  1.00 29.02           C  
-ATOM   1167  OD1 ASP A 144      33.559  94.047  94.305  1.00 24.52           O  
-ATOM   1168  OD2 ASP A 144      32.251  94.304  92.565  1.00 23.18           O  
-ATOM   1169  N   GLU A 145      33.894  95.121  97.330  1.00 22.04           N  
-ATOM   1170  CA  GLU A 145      34.494  94.255  98.314  1.00 21.57           C  
-ATOM   1171  C   GLU A 145      35.249  95.130  99.313  1.00 17.63           C  
-ATOM   1172  O   GLU A 145      35.614  96.276  99.013  1.00 17.34           O  
-ATOM   1173  CB  GLU A 145      35.451  93.251  97.651  1.00 21.57           C  
-ATOM   1174  CG  GLU A 145      36.600  93.928  96.887  1.00 24.74           C  
-ATOM   1175  CD  GLU A 145      37.365  92.977  95.951  1.00 29.32           C  
-ATOM   1176  OE1 GLU A 145      37.270  91.755  96.137  1.00 35.94           O  
-ATOM   1177  OE2 GLU A 145      38.069  93.468  95.036  1.00 29.38           O  
-ATOM   1178  N   ILE A 146      35.431  94.583 100.503  1.00 15.82           N  
-ATOM   1179  CA  ILE A 146      36.354  95.118 101.498  1.00 16.79           C  
-ATOM   1180  C   ILE A 146      37.742  95.193 100.884  1.00 21.15           C  
-ATOM   1181  O   ILE A 146      38.124  94.308 100.107  1.00 18.59           O  
-ATOM   1182  CB  ILE A 146      36.384  94.155 102.705  1.00 17.49           C  
-ATOM   1183  CG1 ILE A 146      35.026  94.214 103.439  1.00 20.53           C  
-ATOM   1184  CG2 ILE A 146      37.597  94.422 103.625  1.00 17.63           C  
-ATOM   1185  CD1 ILE A 146      34.728  92.988 104.289  1.00 22.98           C  
-ATOM   1186  N   LYS A 147      38.500  96.236 101.229  1.00 16.48           N  
-ATOM   1187  CA  LYS A 147      39.898  96.334 100.784  1.00 16.61           C  
-ATOM   1188  C   LYS A 147      40.712  96.999 101.884  1.00 15.81           C  
-ATOM   1189  O   LYS A 147      40.177  97.776 102.674  1.00 16.19           O  
-ATOM   1190  CB  LYS A 147      40.003  97.150  99.490  1.00 15.94           C  
-ATOM   1191  CG  LYS A 147      39.458  98.591  99.610  1.00 16.29           C  
-ATOM   1192  CD  LYS A 147      39.286  99.269  98.257  1.00 16.33           C  
-ATOM   1193  CE  LYS A 147      38.788 100.714  98.418  1.00 22.01           C  
-ATOM   1194  NZ  LYS A 147      38.608 101.420  97.116  1.00 20.51           N  
-ATOM   1195  N   LEU A 148      41.995  96.668 101.953  1.00 13.45           N  
-ATOM   1196  CA  LEU A 148      42.861  97.282 102.958  1.00 15.98           C  
-ATOM   1197  C   LEU A 148      44.036  97.888 102.230  1.00 16.09           C  
-ATOM   1198  O   LEU A 148      44.474  97.346 101.219  1.00 17.18           O  
-ATOM   1199  CB  LEU A 148      43.375  96.231 103.935  1.00 15.22           C  
-ATOM   1200  CG  LEU A 148      42.384  95.789 105.016  1.00 18.93           C  
-ATOM   1201  CD1 LEU A 148      41.467  94.657 104.540  1.00 16.31           C  
-ATOM   1202  CD2 LEU A 148      43.146  95.371 106.234  1.00 17.77           C  
-ATOM   1203  N   ILE A 149      44.560  98.997 102.741  1.00 14.58           N  
-ATOM   1204  CA  ILE A 149      45.746  99.595 102.132  1.00 13.97           C  
-ATOM   1205  C   ILE A 149      46.668 100.075 103.251  1.00 18.90           C  
-ATOM   1206  O   ILE A 149      46.218 100.735 104.187  1.00 19.23           O  
-ATOM   1207  CB  ILE A 149      45.374 100.757 101.157  1.00 15.20           C  
-ATOM   1208  CG1 ILE A 149      46.624 101.446 100.590  1.00 25.33           C  
-ATOM   1209  CG2 ILE A 149      44.527 101.839 101.859  1.00 16.41           C  
-ATOM   1210  CD1 ILE A 149      47.432 100.620  99.666  1.00 26.95           C  
-ATOM   1211  N   GLY A 150      47.940  99.695 103.189  1.00 15.41           N  
-ATOM   1212  CA  GLY A 150      48.905 100.190 104.158  1.00 15.24           C  
-ATOM   1213  C   GLY A 150      50.067 100.902 103.483  1.00 17.15           C  
-ATOM   1214  O   GLY A 150      50.397 100.620 102.343  1.00 17.76           O  
-ATOM   1215  N   TYR A 151      50.683 101.827 104.212  1.00 17.60           N  
-ATOM   1216  CA  TYR A 151      51.879 102.531 103.758  1.00 15.83           C  
-ATOM   1217  C   TYR A 151      53.033 102.086 104.645  1.00 13.57           C  
-ATOM   1218  O   TYR A 151      52.958 102.215 105.874  1.00 15.68           O  
-ATOM   1219  CB  TYR A 151      51.650 104.036 103.907  1.00 16.46           C  
-ATOM   1220  CG  TYR A 151      52.876 104.897 103.728  1.00 20.13           C  
-ATOM   1221  CD1 TYR A 151      53.890 104.542 102.832  1.00 18.16           C  
-ATOM   1222  CD2 TYR A 151      53.030 106.066 104.466  1.00 22.13           C  
-ATOM   1223  CE1 TYR A 151      55.010 105.334 102.677  1.00 24.17           C  
-ATOM   1224  CE2 TYR A 151      54.151 106.870 104.312  1.00 22.61           C  
-ATOM   1225  CZ  TYR A 151      55.133 106.504 103.414  1.00 31.77           C  
-ATOM   1226  OH  TYR A 151      56.255 107.301 103.266  1.00 28.94           O  
-ATOM   1227  N   PHE A 152      54.092 101.557 104.030  1.00 16.67           N  
-ATOM   1228  CA  PHE A 152      55.267 101.080 104.762  1.00 15.46           C  
-ATOM   1229  C   PHE A 152      56.567 101.594 104.109  1.00 16.91           C  
-ATOM   1230  O   PHE A 152      56.558 102.083 102.989  1.00 18.59           O  
-ATOM   1231  CB  PHE A 152      55.267  99.550 104.831  1.00 14.34           C  
-ATOM   1232  CG  PHE A 152      53.960  98.962 105.321  1.00 16.68           C  
-ATOM   1233  CD1 PHE A 152      53.673  98.913 106.673  1.00 20.16           C  
-ATOM   1234  CD2 PHE A 152      53.011  98.495 104.419  1.00 16.69           C  
-ATOM   1235  CE1 PHE A 152      52.472  98.391 107.125  1.00 17.86           C  
-ATOM   1236  CE2 PHE A 152      51.820  97.953 104.864  1.00 17.35           C  
-ATOM   1237  CZ  PHE A 152      51.545  97.903 106.213  1.00 18.58           C  
-ATOM   1238  N   LYS A 153      57.672 101.508 104.835  1.00 20.25           N  
-ATOM   1239  CA  LYS A 153      58.931 102.072 104.354  1.00 17.51           C  
-ATOM   1240  C   LYS A 153      59.370 101.397 103.054  1.00 17.65           C  
-ATOM   1241  O   LYS A 153      59.714 102.065 102.072  1.00 20.60           O  
-ATOM   1242  CB  LYS A 153      60.006 101.933 105.439  1.00 21.49           C  
-ATOM   1243  CG  LYS A 153      61.290 102.686 105.120  1.00 25.98           C  
-ATOM   1244  CD  LYS A 153      62.273 102.585 106.272  1.00 22.77           C  
-ATOM   1245  CE  LYS A 153      63.572 103.325 105.909  1.00 25.79           C  
-ATOM   1246  NZ  LYS A 153      64.473 103.303 107.078  1.00 23.16           N  
-ATOM   1247  N   ASN A 154      59.335 100.069 103.069  1.00 20.40           N  
-ATOM   1248  CA  ASN A 154      59.749  99.217 101.943  1.00 20.34           C  
-ATOM   1249  C   ASN A 154      59.429  97.778 102.316  1.00 18.97           C  
-ATOM   1250  O   ASN A 154      58.968  97.531 103.427  1.00 19.81           O  
-ATOM   1251  CB  ASN A 154      61.254  99.373 101.673  1.00 21.40           C  
-ATOM   1252  CG  ASN A 154      62.085  99.151 102.908  1.00 20.14           C  
-ATOM   1253  OD1 ASN A 154      61.871  98.187 103.653  1.00 22.34           O  
-ATOM   1254  ND2 ASN A 154      63.054 100.047 103.144  1.00 23.82           N  
-ATOM   1255  N   LYS A 155      59.671  96.832 101.405  1.00 16.56           N  
-ATOM   1256  CA  LYS A 155      59.265  95.437 101.610  1.00 18.18           C  
-ATOM   1257  C   LYS A 155      59.976  94.793 102.802  1.00 23.56           C  
-ATOM   1258  O   LYS A 155      59.610  93.705 103.243  1.00 19.23           O  
-ATOM   1259  CB  LYS A 155      59.562  94.598 100.360  1.00 21.39           C  
-ATOM   1260  CG  LYS A 155      61.077  94.275 100.215  1.00 19.65           C  
-ATOM   1261  CD  LYS A 155      61.379  93.353  99.042  1.00 28.14           C  
-ATOM   1262  CE  LYS A 155      62.894  93.271  98.761  1.00 24.62           C  
-ATOM   1263  NZ  LYS A 155      63.675  92.721  99.900  1.00 24.51           N  
-ATOM   1264  N   ASP A 156      61.010  95.447 103.319  1.00 20.22           N  
-ATOM   1265  CA  ASP A 156      61.776  94.845 104.394  1.00 20.28           C  
-ATOM   1266  C   ASP A 156      61.341  95.360 105.760  1.00 25.08           C  
-ATOM   1267  O   ASP A 156      61.835  94.913 106.792  1.00 27.39           O  
-ATOM   1268  CB  ASP A 156      63.282  95.045 104.141  1.00 22.71           C  
-ATOM   1269  CG  ASP A 156      63.695  94.492 102.790  1.00 21.40           C  
-ATOM   1270  OD1 ASP A 156      63.566  93.272 102.621  1.00 22.99           O  
-ATOM   1271  OD2 ASP A 156      64.085  95.265 101.888  1.00 23.71           O  
-ATOM   1272  N   SER A 157      60.399  96.294 105.756  1.00 20.84           N  
-ATOM   1273  CA  SER A 157      59.813  96.772 106.995  1.00 17.79           C  
-ATOM   1274  C   SER A 157      59.169  95.619 107.746  1.00 21.66           C  
-ATOM   1275  O   SER A 157      58.398  94.841 107.177  1.00 22.07           O  
-ATOM   1276  CB  SER A 157      58.748  97.831 106.712  1.00 18.30           C  
-ATOM   1277  OG  SER A 157      58.010  98.103 107.889  1.00 23.87           O  
-ATOM   1278  N   GLU A 158      59.481  95.525 109.032  1.00 17.62           N  
-ATOM   1279  CA  GLU A 158      58.865  94.543 109.910  1.00 21.17           C  
-ATOM   1280  C   GLU A 158      57.330  94.681 109.857  1.00 20.82           C  
-ATOM   1281  O   GLU A 158      56.590  93.705 109.984  1.00 20.19           O  
-ATOM   1282  CB  GLU A 158      59.368  94.773 111.333  1.00 25.60           C  
-ATOM   1283  CG  GLU A 158      58.538  94.164 112.434  1.00 39.76           C  
-ATOM   1284  CD  GLU A 158      58.818  94.811 113.800  1.00 50.95           C  
-ATOM   1285  OE1 GLU A 158      59.667  95.734 113.875  1.00 48.41           O  
-ATOM   1286  OE2 GLU A 158      58.181  94.395 114.798  1.00 53.26           O  
-ATOM   1287  N   HIS A 159      56.858  95.899 109.656  1.00 19.35           N  
-ATOM   1288  CA  HIS A 159      55.411  96.127 109.652  1.00 22.71           C  
-ATOM   1289  C   HIS A 159      54.778  95.746 108.322  1.00 19.67           C  
-ATOM   1290  O   HIS A 159      53.603  95.358 108.250  1.00 18.30           O  
-ATOM   1291  CB  HIS A 159      55.122  97.567 110.053  1.00 16.06           C  
-ATOM   1292  CG  HIS A 159      55.803  97.958 111.326  1.00 19.99           C  
-ATOM   1293  ND1 HIS A 159      55.724  97.189 112.470  1.00 22.81           N  
-ATOM   1294  CD2 HIS A 159      56.639  98.985 111.619  1.00 23.12           C  
-ATOM   1295  CE1 HIS A 159      56.448  97.748 113.424  1.00 22.86           C  
-ATOM   1296  NE2 HIS A 159      57.016  98.837 112.933  1.00 25.29           N  
-ATOM   1297  N   TYR A 160      55.555  95.835 107.256  1.00 18.48           N  
-ATOM   1298  CA  TYR A 160      55.049  95.342 105.979  1.00 18.92           C  
-ATOM   1299  C   TYR A 160      54.953  93.813 106.020  1.00 18.11           C  
-ATOM   1300  O   TYR A 160      53.997  93.214 105.527  1.00 19.28           O  
-ATOM   1301  CB  TYR A 160      55.907  95.819 104.793  1.00 15.63           C  
-ATOM   1302  CG  TYR A 160      55.498  95.111 103.529  1.00 19.90           C  
-ATOM   1303  CD1 TYR A 160      54.349  95.487 102.850  1.00 19.39           C  
-ATOM   1304  CD2 TYR A 160      56.237  94.048 103.037  1.00 21.04           C  
-ATOM   1305  CE1 TYR A 160      53.946  94.828 101.716  1.00 22.64           C  
-ATOM   1306  CE2 TYR A 160      55.845  93.379 101.900  1.00 24.63           C  
-ATOM   1307  CZ  TYR A 160      54.697  93.767 101.242  1.00 28.35           C  
-ATOM   1308  OH  TYR A 160      54.298  93.099 100.105  1.00 24.08           O  
-ATOM   1309  N   LYS A 161      55.939  93.164 106.617  1.00 17.88           N  
-ATOM   1310  CA  LYS A 161      55.907  91.711 106.681  1.00 20.27           C  
-ATOM   1311  C   LYS A 161      54.722  91.208 107.481  1.00 18.32           C  
-ATOM   1312  O   LYS A 161      54.143  90.171 107.158  1.00 19.44           O  
-ATOM   1313  CB  LYS A 161      57.195  91.172 107.293  1.00 20.97           C  
-ATOM   1314  CG  LYS A 161      58.391  91.348 106.401  1.00 25.41           C  
-ATOM   1315  CD  LYS A 161      59.622  91.087 107.250  1.00 37.05           C  
-ATOM   1316  CE  LYS A 161      60.895  91.253 106.473  1.00 43.23           C  
-ATOM   1317  NZ  LYS A 161      62.050  91.084 107.401  1.00 50.73           N  
-ATOM   1318  N   ALA A 162      54.369  91.937 108.535  1.00 16.81           N  
-ATOM   1319  CA  ALA A 162      53.186  91.585 109.316  1.00 18.94           C  
-ATOM   1320  C   ALA A 162      51.926  91.716 108.457  1.00 18.99           C  
-ATOM   1321  O   ALA A 162      51.047  90.865 108.488  1.00 18.49           O  
-ATOM   1322  CB  ALA A 162      53.077  92.487 110.552  1.00 19.02           C  
-ATOM   1323  N   PHE A 163      51.860  92.802 107.697  1.00 15.88           N  
-ATOM   1324  CA  PHE A 163      50.751  93.073 106.785  1.00 13.87           C  
-ATOM   1325  C   PHE A 163      50.616  91.943 105.747  1.00 19.03           C  
-ATOM   1326  O   PHE A 163      49.519  91.473 105.462  1.00 18.34           O  
-ATOM   1327  CB  PHE A 163      51.010  94.419 106.098  1.00 16.60           C  
-ATOM   1328  CG  PHE A 163      49.876  94.913 105.229  1.00 16.39           C  
-ATOM   1329  CD1 PHE A 163      48.724  95.444 105.795  1.00 15.32           C  
-ATOM   1330  CD2 PHE A 163      49.985  94.892 103.850  1.00 17.81           C  
-ATOM   1331  CE1 PHE A 163      47.694  95.945 104.992  1.00 16.08           C  
-ATOM   1332  CE2 PHE A 163      48.958  95.395 103.035  1.00 15.76           C  
-ATOM   1333  CZ  PHE A 163      47.811  95.921 103.614  1.00 16.47           C  
-ATOM   1334  N   LYS A 164      51.737  91.511 105.182  1.00 17.80           N  
-ATOM   1335  CA  LYS A 164      51.718  90.424 104.197  1.00 17.53           C  
-ATOM   1336  C   LYS A 164      51.248  89.098 104.790  1.00 17.36           C  
-ATOM   1337  O   LYS A 164      50.452  88.380 104.168  1.00 23.47           O  
-ATOM   1338  CB  LYS A 164      53.098  90.272 103.546  1.00 17.38           C  
-ATOM   1339  CG  LYS A 164      53.172  89.219 102.468  1.00 27.59           C  
-ATOM   1340  CD  LYS A 164      54.534  89.283 101.779  1.00 31.90           C  
-ATOM   1341  CE  LYS A 164      54.766  88.086 100.875  1.00 49.93           C  
-ATOM   1342  NZ  LYS A 164      56.095  88.195 100.193  1.00 60.53           N  
-ATOM   1343  N   GLU A 165      51.722  88.769 105.989  1.00 16.38           N  
-ATOM   1344  CA  GLU A 165      51.217  87.605 106.712  1.00 18.84           C  
-ATOM   1345  C   GLU A 165      49.709  87.675 106.920  1.00 22.08           C  
-ATOM   1346  O   GLU A 165      49.007  86.671 106.771  1.00 21.73           O  
-ATOM   1347  CB  GLU A 165      51.896  87.455 108.072  1.00 24.90           C  
-ATOM   1348  CG  GLU A 165      53.397  87.197 107.994  1.00 26.99           C  
-ATOM   1349  CD  GLU A 165      53.738  85.863 107.356  0.73 33.92           C  
-ATOM   1350  OE1 GLU A 165      54.781  85.784 106.675  0.66 41.74           O  
-ATOM   1351  OE2 GLU A 165      52.973  84.892 107.546  0.71 31.51           O  
-ATOM   1352  N   ALA A 166      49.207  88.848 107.294  1.00 18.95           N  
-ATOM   1353  CA  ALA A 166      47.765  89.010 107.480  1.00 18.84           C  
-ATOM   1354  C   ALA A 166      47.032  88.826 106.150  1.00 20.11           C  
-ATOM   1355  O   ALA A 166      45.987  88.174 106.087  1.00 22.83           O  
-ATOM   1356  CB  ALA A 166      47.434  90.380 108.111  1.00 18.02           C  
-ATOM   1357  N   ALA A 167      47.588  89.404 105.092  1.00 19.69           N  
-ATOM   1358  CA  ALA A 167      47.027  89.284 103.754  1.00 20.67           C  
-ATOM   1359  C   ALA A 167      46.857  87.817 103.327  1.00 22.05           C  
-ATOM   1360  O   ALA A 167      45.845  87.439 102.741  1.00 20.25           O  
-ATOM   1361  CB  ALA A 167      47.910  90.022 102.761  1.00 18.89           C  
-ATOM   1362  N   GLU A 168      47.858  87.002 103.625  1.00 21.77           N  
-ATOM   1363  CA  GLU A 168      47.823  85.579 103.285  1.00 25.19           C  
-ATOM   1364  C   GLU A 168      46.677  84.844 103.973  1.00 23.72           C  
-ATOM   1365  O   GLU A 168      46.127  83.898 103.428  1.00 20.76           O  
-ATOM   1366  CB  GLU A 168      49.187  84.917 103.561  1.00 25.06           C  
-ATOM   1367  CG  GLU A 168      50.241  85.320 102.522  1.00 23.43           C  
-ATOM   1368  CD  GLU A 168      51.687  84.997 102.924  1.00 39.67           C  
-ATOM   1369  OE1 GLU A 168      51.924  84.648 104.095  1.00 34.75           O  
-ATOM   1370  OE2 GLU A 168      52.595  85.115 102.065  1.00 37.72           O  
-ATOM   1371  N   GLU A 169      46.302  85.298 105.158  1.00 19.93           N  
-ATOM   1372  CA  GLU A 169      45.231  84.674 105.912  1.00 25.00           C  
-ATOM   1373  C   GLU A 169      43.876  84.806 105.195  1.00 28.83           C  
-ATOM   1374  O   GLU A 169      43.016  83.956 105.357  1.00 29.45           O  
-ATOM   1375  CB  GLU A 169      45.172  85.298 107.309  1.00 29.50           C  
-ATOM   1376  CG  GLU A 169      44.251  84.596 108.281  0.40 31.87           C  
-ATOM   1377  CD  GLU A 169      44.674  83.165 108.567  0.40 36.03           C  
-ATOM   1378  OE1 GLU A 169      45.808  82.941 109.058  1.00 41.32           O  
-ATOM   1379  OE2 GLU A 169      43.862  82.263 108.291  0.62 38.54           O  
-ATOM   1380  N   PHE A 170      43.689  85.869 104.412  1.00 19.68           N  
-ATOM   1381  CA  PHE A 170      42.392  86.135 103.776  1.00 20.24           C  
-ATOM   1382  C   PHE A 170      42.431  86.011 102.251  1.00 19.17           C  
-ATOM   1383  O   PHE A 170      41.453  86.326 101.569  1.00 21.67           O  
-ATOM   1384  CB  PHE A 170      41.893  87.538 104.129  1.00 21.62           C  
-ATOM   1385  CG  PHE A 170      41.736  87.775 105.597  1.00 20.64           C  
-ATOM   1386  CD1 PHE A 170      40.610  87.322 106.270  1.00 24.11           C  
-ATOM   1387  CD2 PHE A 170      42.716  88.447 106.309  1.00 24.52           C  
-ATOM   1388  CE1 PHE A 170      40.466  87.534 107.625  1.00 27.12           C  
-ATOM   1389  CE2 PHE A 170      42.569  88.671 107.669  1.00 18.39           C  
-ATOM   1390  CZ  PHE A 170      41.454  88.209 108.322  1.00 17.87           C  
-ATOM   1391  N   HIS A 171      43.575  85.587 101.724  1.00 22.86           N  
-ATOM   1392  CA  HIS A 171      43.810  85.540 100.278  1.00 27.50           C  
-ATOM   1393  C   HIS A 171      43.000  84.392  99.696  1.00 23.66           C  
-ATOM   1394  O   HIS A 171      42.916  83.339 100.314  1.00 26.14           O  
-ATOM   1395  CB  HIS A 171      45.304  85.298 100.035  1.00 23.73           C  
-ATOM   1396  CG  HIS A 171      45.697  85.203  98.589  1.00 19.74           C  
-ATOM   1397  ND1 HIS A 171      45.725  86.295  97.750  1.00 20.79           N  
-ATOM   1398  CD2 HIS A 171      46.143  84.154  97.852  1.00 20.95           C  
-ATOM   1399  CE1 HIS A 171      46.143  85.919  96.552  1.00 22.20           C  
-ATOM   1400  NE2 HIS A 171      46.414  84.628  96.591  1.00 20.01           N  
-ATOM   1401  N   PRO A 172      42.370  84.593  98.524  1.00 24.43           N  
-ATOM   1402  CA  PRO A 172      42.311  85.809  97.716  1.00 20.40           C  
-ATOM   1403  C   PRO A 172      40.997  86.592  97.894  1.00 20.79           C  
-ATOM   1404  O   PRO A 172      40.687  87.439  97.058  1.00 20.68           O  
-ATOM   1405  CB  PRO A 172      42.374  85.246  96.295  1.00 26.15           C  
-ATOM   1406  CG  PRO A 172      41.556  83.946  96.417  1.00 19.98           C  
-ATOM   1407  CD  PRO A 172      41.749  83.444  97.825  1.00 22.32           C  
-ATOM   1408  N   TYR A 173      40.235  86.315  98.949  1.00 20.45           N  
-ATOM   1409  CA  TYR A 173      38.914  86.943  99.122  1.00 21.50           C  
-ATOM   1410  C   TYR A 173      38.922  88.432  99.446  1.00 23.79           C  
-ATOM   1411  O   TYR A 173      38.016  89.159  99.035  1.00 23.44           O  
-ATOM   1412  CB  TYR A 173      38.142  86.258 100.230  1.00 24.15           C  
-ATOM   1413  CG  TYR A 173      37.857  84.814  99.970  1.00 21.89           C  
-ATOM   1414  CD1 TYR A 173      36.869  84.428  99.073  1.00 27.28           C  
-ATOM   1415  CD2 TYR A 173      38.571  83.831 100.640  1.00 29.51           C  
-ATOM   1416  CE1 TYR A 173      36.597  83.084  98.856  1.00 29.76           C  
-ATOM   1417  CE2 TYR A 173      38.322  82.507 100.423  1.00 26.98           C  
-ATOM   1418  CZ  TYR A 173      37.339  82.135  99.539  1.00 21.76           C  
-ATOM   1419  OH  TYR A 173      37.110  80.795  99.359  1.00 25.87           O  
-ATOM   1420  N   ILE A 174      39.906  88.881 100.219  1.00 18.41           N  
-ATOM   1421  CA  ILE A 174      39.955  90.301 100.594  1.00 18.87           C  
-ATOM   1422  C   ILE A 174      41.296  90.847 100.149  1.00 20.16           C  
-ATOM   1423  O   ILE A 174      42.319  90.419 100.648  1.00 22.96           O  
-ATOM   1424  CB  ILE A 174      39.825  90.492 102.109  1.00 21.05           C  
-ATOM   1425  CG1 ILE A 174      38.477  89.972 102.600  1.00 21.53           C  
-ATOM   1426  CG2 ILE A 174      40.025  91.983 102.492  1.00 18.16           C  
-ATOM   1427  CD1 ILE A 174      38.306  90.078 104.096  1.00 26.33           C  
-ATOM   1428  N   PRO A 175      41.286  91.772  99.188  1.00 19.66           N  
-ATOM   1429  CA  PRO A 175      42.531  92.302  98.628  1.00 23.30           C  
-ATOM   1430  C   PRO A 175      43.235  93.242  99.589  1.00 21.08           C  
-ATOM   1431  O   PRO A 175      42.577  94.127 100.152  1.00 17.00           O  
-ATOM   1432  CB  PRO A 175      42.062  93.073  97.394  1.00 22.71           C  
-ATOM   1433  CG  PRO A 175      40.647  93.433  97.675  1.00 23.30           C  
-ATOM   1434  CD  PRO A 175      40.090  92.305  98.509  1.00 20.85           C  
-ATOM   1435  N   PHE A 176      44.542  93.022  99.766  1.00 14.62           N  
-ATOM   1436  CA  PHE A 176      45.415  93.838 100.612  1.00 16.21           C  
-ATOM   1437  C   PHE A 176      46.353  94.557  99.647  1.00 17.95           C  
-ATOM   1438  O   PHE A 176      46.963  93.931  98.777  1.00 18.45           O  
-ATOM   1439  CB  PHE A 176      46.269  92.957 101.529  1.00 16.56           C  
-ATOM   1440  CG  PHE A 176      45.579  92.504 102.796  1.00 19.45           C  
-ATOM   1441  CD1 PHE A 176      44.360  91.845 102.756  1.00 16.57           C  
-ATOM   1442  CD2 PHE A 176      46.187  92.715 104.032  1.00 19.31           C  
-ATOM   1443  CE1 PHE A 176      43.751  91.421 103.928  1.00 18.10           C  
-ATOM   1444  CE2 PHE A 176      45.587  92.285 105.206  1.00 20.60           C  
-ATOM   1445  CZ  PHE A 176      44.354  91.640 105.150  1.00 18.70           C  
-ATOM   1446  N   PHE A 177      46.428  95.873  99.782  1.00 14.22           N  
-ATOM   1447  CA  PHE A 177      47.266  96.694  98.942  1.00 14.98           C  
-ATOM   1448  C   PHE A 177      48.300  97.363  99.828  1.00 20.69           C  
-ATOM   1449  O   PHE A 177      48.026  97.660 100.997  1.00 16.84           O  
-ATOM   1450  CB  PHE A 177      46.417  97.773  98.282  1.00 15.30           C  
-ATOM   1451  CG  PHE A 177      45.399  97.239  97.304  1.00 16.17           C  
-ATOM   1452  CD1 PHE A 177      44.149  96.801  97.743  1.00 21.58           C  
-ATOM   1453  CD2 PHE A 177      45.691  97.180  95.949  1.00 25.26           C  
-ATOM   1454  CE1 PHE A 177      43.210  96.321  96.844  1.00 20.43           C  
-ATOM   1455  CE2 PHE A 177      44.757  96.698  95.033  1.00 27.07           C  
-ATOM   1456  CZ  PHE A 177      43.513  96.268  95.479  1.00 23.21           C  
-ATOM   1457  N   ALA A 178      49.480  97.623  99.270  1.00 16.47           N  
-ATOM   1458  CA  ALA A 178      50.483  98.397  99.989  1.00 19.73           C  
-ATOM   1459  C   ALA A 178      51.101  99.428  99.070  1.00 21.69           C  
-ATOM   1460  O   ALA A 178      51.097  99.269  97.848  1.00 23.48           O  
-ATOM   1461  CB  ALA A 178      51.559  97.470 100.552  1.00 16.20           C  
-ATOM   1462  N   THR A 179      51.621 100.496  99.662  1.00 23.76           N  
-ATOM   1463  CA  THR A 179      52.507 101.399  98.950  1.00 21.28           C  
-ATOM   1464  C   THR A 179      53.751 101.690  99.784  1.00 22.26           C  
-ATOM   1465  O   THR A 179      53.700 101.698 101.009  1.00 19.24           O  
-ATOM   1466  CB  THR A 179      51.810 102.728  98.583  1.00 23.59           C  
-ATOM   1467  OG1 THR A 179      52.671 103.498  97.735  1.00 26.42           O  
-ATOM   1468  CG2 THR A 179      51.457 103.531  99.838  1.00 20.42           C  
-ATOM   1469  N   PHE A 180      54.874 101.892  99.100  1.00 20.25           N  
-ATOM   1470  CA  PHE A 180      56.126 102.315  99.737  1.00 25.94           C  
-ATOM   1471  C   PHE A 180      56.454 103.758  99.328  1.00 27.98           C  
-ATOM   1472  O   PHE A 180      57.496 104.301  99.680  1.00 26.89           O  
-ATOM   1473  CB  PHE A 180      57.273 101.376  99.328  1.00 19.79           C  
-ATOM   1474  CG  PHE A 180      57.018  99.932  99.631  1.00 25.80           C  
-ATOM   1475  CD1 PHE A 180      56.407  99.550 100.826  1.00 21.90           C  
-ATOM   1476  CD2 PHE A 180      57.369  98.950  98.716  1.00 23.65           C  
-ATOM   1477  CE1 PHE A 180      56.160  98.231 101.097  1.00 20.45           C  
-ATOM   1478  CE2 PHE A 180      57.122  97.620  98.981  1.00 21.19           C  
-ATOM   1479  CZ  PHE A 180      56.525  97.248 100.175  1.00 22.97           C  
-ATOM   1480  N   ASP A 181      55.539 104.368  98.585  1.00 31.80           N  
-ATOM   1481  CA  ASP A 181      55.746 105.685  97.998  1.00 32.68           C  
-ATOM   1482  C   ASP A 181      55.016 106.777  98.766  1.00 27.44           C  
-ATOM   1483  O   ASP A 181      53.799 106.783  98.832  1.00 31.76           O  
-ATOM   1484  CB  ASP A 181      55.265 105.681  96.546  1.00 36.58           C  
-ATOM   1485  CG  ASP A 181      55.575 106.980  95.833  1.00 49.40           C  
-ATOM   1486  OD1 ASP A 181      54.897 107.283  94.832  1.00 49.38           O  
-ATOM   1487  OD2 ASP A 181      56.493 107.698  96.284  1.00 47.10           O  
-ATOM   1488  N   SER A 182      55.772 107.714  99.324  1.00 30.98           N  
-ATOM   1489  CA  SER A 182      55.225 108.770 100.166  1.00 33.31           C  
-ATOM   1490  C   SER A 182      54.221 109.643  99.436  1.00 31.98           C  
-ATOM   1491  O   SER A 182      53.310 110.197 100.052  1.00 28.54           O  
-ATOM   1492  CB  SER A 182      56.352 109.646 100.704  1.00 37.22           C  
-ATOM   1493  OG  SER A 182      57.050 110.235  99.625  1.00 33.29           O  
-ATOM   1494  N   LYS A 183      54.383 109.772  98.126  1.00 34.19           N  
-ATOM   1495  CA  LYS A 183      53.452 110.582  97.351  1.00 42.81           C  
-ATOM   1496  C   LYS A 183      52.093 109.890  97.249  1.00 34.63           C  
-ATOM   1497  O   LYS A 183      51.050 110.533  97.334  1.00 32.74           O  
-ATOM   1498  CB  LYS A 183      54.023 110.893  95.967  1.00 44.18           C  
-ATOM   1499  CG  LYS A 183      55.428 111.487  96.020  1.00 54.89           C  
-ATOM   1500  CD  LYS A 183      55.853 112.043  94.670  1.00 71.76           C  
-ATOM   1501  CE  LYS A 183      55.054 113.288  94.305  1.00 79.52           C  
-ATOM   1502  NZ  LYS A 183      55.390 114.449  95.181  1.00 84.20           N  
-ATOM   1503  N   VAL A 184      52.113 108.577  97.066  1.00 35.48           N  
-ATOM   1504  CA  VAL A 184      50.879 107.803  97.031  1.00 30.18           C  
-ATOM   1505  C   VAL A 184      50.227 107.850  98.400  1.00 23.73           C  
-ATOM   1506  O   VAL A 184      49.021 108.064  98.520  1.00 33.91           O  
-ATOM   1507  CB  VAL A 184      51.139 106.329  96.658  1.00 33.75           C  
-ATOM   1508  CG1 VAL A 184      49.837 105.524  96.697  1.00 32.21           C  
-ATOM   1509  CG2 VAL A 184      51.807 106.230  95.279  1.00 33.42           C  
-ATOM   1510  N   ALA A 185      51.038 107.654  99.434  1.00 26.41           N  
-ATOM   1511  CA  ALA A 185      50.539 107.655 100.801  1.00 28.42           C  
-ATOM   1512  C   ALA A 185      49.868 108.978 101.095  1.00 33.16           C  
-ATOM   1513  O   ALA A 185      48.842 109.033 101.771  1.00 26.66           O  
-ATOM   1514  CB  ALA A 185      51.670 107.392 101.787  1.00 25.01           C  
-ATOM   1515  N   LYS A 186      50.447 110.052 100.573  1.00 30.48           N  
-ATOM   1516  CA  LYS A 186      49.857 111.365 100.754  1.00 34.64           C  
-ATOM   1517  C   LYS A 186      48.457 111.461 100.136  1.00 24.86           C  
-ATOM   1518  O   LYS A 186      47.535 111.979 100.767  1.00 31.99           O  
-ATOM   1519  CB  LYS A 186      50.779 112.449 100.187  1.00 36.09           C  
-ATOM   1520  CG  LYS A 186      50.234 113.854 100.364  1.00 45.15           C  
-ATOM   1521  CD  LYS A 186      50.050 114.206 101.832  1.00 50.50           C  
-ATOM   1522  CE  LYS A 186      51.386 114.316 102.553  1.00 72.46           C  
-ATOM   1523  NZ  LYS A 186      51.233 114.879 103.928  1.00 67.32           N  
-ATOM   1524  N   LYS A 187      48.297 110.967  98.912  1.00 26.46           N  
-ATOM   1525  CA  LYS A 187      46.996 111.020  98.236  1.00 31.23           C  
-ATOM   1526  C   LYS A 187      45.963 110.176  98.973  1.00 34.82           C  
-ATOM   1527  O   LYS A 187      44.781 110.509  99.013  1.00 33.91           O  
-ATOM   1528  CB  LYS A 187      47.118 110.544  96.792  1.00 34.77           C  
-ATOM   1529  CG  LYS A 187      48.140 111.335  95.968  1.00 47.45           C  
-ATOM   1530  CD  LYS A 187      48.223 110.818  94.537  1.00 54.28           C  
-ATOM   1531  CE  LYS A 187      49.169 111.656  93.684  1.00 61.60           C  
-ATOM   1532  NZ  LYS A 187      49.136 111.226  92.254  1.00 69.21           N  
-ATOM   1533  N   LEU A 188      46.432 109.080  99.555  1.00 28.94           N  
-ATOM   1534  CA  LEU A 188      45.595 108.186 100.345  1.00 28.10           C  
-ATOM   1535  C   LEU A 188      45.397 108.656 101.780  1.00 29.84           C  
-ATOM   1536  O   LEU A 188      44.598 108.078 102.521  1.00 27.41           O  
-ATOM   1537  CB  LEU A 188      46.229 106.804 100.355  1.00 26.30           C  
-ATOM   1538  CG  LEU A 188      46.256 106.110  98.995  1.00 31.52           C  
-ATOM   1539  CD1 LEU A 188      47.034 104.807  99.078  1.00 31.64           C  
-ATOM   1540  CD2 LEU A 188      44.843 105.852  98.538  1.00 37.72           C  
-ATOM   1541  N   THR A 189      46.131 109.698 102.172  1.00 28.39           N  
-ATOM   1542  CA  THR A 189      46.152 110.199 103.555  1.00 23.17           C  
-ATOM   1543  C   THR A 189      46.640 109.189 104.613  1.00 26.80           C  
-ATOM   1544  O   THR A 189      46.119 109.140 105.726  1.00 26.98           O  
-ATOM   1545  CB  THR A 189      44.800 110.811 104.007  1.00 35.71           C  
-ATOM   1546  OG1 THR A 189      43.872 109.770 104.343  1.00 30.50           O  
-ATOM   1547  CG2 THR A 189      44.219 111.700 102.918  1.00 39.91           C  
-ATOM   1548  N   LEU A 190      47.643 108.394 104.263  1.00 20.32           N  
-ATOM   1549  CA  LEU A 190      48.194 107.410 105.179  1.00 23.55           C  
-ATOM   1550  C   LEU A 190      49.497 107.896 105.803  1.00 22.44           C  
-ATOM   1551  O   LEU A 190      50.399 108.330 105.087  1.00 22.49           O  
-ATOM   1552  CB  LEU A 190      48.500 106.119 104.414  1.00 20.61           C  
-ATOM   1553  CG  LEU A 190      47.321 105.273 103.938  1.00 23.00           C  
-ATOM   1554  CD1 LEU A 190      47.822 104.164 103.020  1.00 22.04           C  
-ATOM   1555  CD2 LEU A 190      46.591 104.696 105.139  1.00 21.49           C  
-ATOM   1556  N   LYS A 191      49.600 107.798 107.121  1.00 21.78           N  
-ATOM   1557  CA  LYS A 191      50.891 107.952 107.798  1.00 26.85           C  
-ATOM   1558  C   LYS A 191      51.676 106.659 107.687  1.00 24.61           C  
-ATOM   1559  O   LYS A 191      51.110 105.626 107.359  1.00 18.58           O  
-ATOM   1560  CB  LYS A 191      50.683 108.267 109.268  1.00 23.61           C  
-ATOM   1561  CG  LYS A 191      50.093 109.629 109.510  1.00 29.05           C  
-ATOM   1562  CD  LYS A 191      49.644 109.762 110.944  1.00 33.21           C  
-ATOM   1563  CE  LYS A 191      49.134 111.172 111.219  1.00 31.90           C  
-ATOM   1564  NZ  LYS A 191      48.380 111.200 112.501  1.00 46.27           N  
-ATOM   1565  N   LEU A 192      52.976 106.698 107.976  1.00 19.93           N  
-ATOM   1566  CA  LEU A 192      53.758 105.479 107.899  1.00 21.81           C  
-ATOM   1567  C   LEU A 192      53.238 104.422 108.879  1.00 23.24           C  
-ATOM   1568  O   LEU A 192      53.006 104.701 110.051  1.00 17.73           O  
-ATOM   1569  CB  LEU A 192      55.236 105.764 108.172  1.00 24.57           C  
-ATOM   1570  CG  LEU A 192      56.177 104.607 107.845  1.00 21.15           C  
-ATOM   1571  CD1 LEU A 192      56.296 104.508 106.339  1.00 17.85           C  
-ATOM   1572  CD2 LEU A 192      57.533 104.866 108.496  1.00 27.77           C  
-ATOM   1573  N   ASN A 193      53.089 103.204 108.369  1.00 15.49           N  
-ATOM   1574  CA  ASN A 193      52.631 102.040 109.121  1.00 15.99           C  
-ATOM   1575  C   ASN A 193      51.123 102.058 109.383  1.00 18.64           C  
-ATOM   1576  O   ASN A 193      50.582 101.145 110.001  1.00 18.11           O  
-ATOM   1577  CB  ASN A 193      53.414 101.867 110.413  1.00 17.51           C  
-ATOM   1578  CG  ASN A 193      54.873 101.680 110.156  1.00 21.76           C  
-ATOM   1579  OD1 ASN A 193      55.255 100.989 109.213  1.00 20.69           O  
-ATOM   1580  ND2 ASN A 193      55.708 102.298 110.980  1.00 19.31           N  
-ATOM   1581  N   GLU A 194      50.457 103.081 108.870  1.00 14.97           N  
-ATOM   1582  CA  GLU A 194      49.017 103.183 109.036  1.00 17.04           C  
-ATOM   1583  C   GLU A 194      48.348 102.268 108.007  1.00 18.00           C  
-ATOM   1584  O   GLU A 194      48.802 102.180 106.864  1.00 16.27           O  
-ATOM   1585  CB  GLU A 194      48.588 104.629 108.855  1.00 21.32           C  
-ATOM   1586  CG  GLU A 194      47.442 105.047 109.713  1.00 31.90           C  
-ATOM   1587  CD  GLU A 194      47.283 106.562 109.763  1.00 25.85           C  
-ATOM   1588  OE1 GLU A 194      47.309 107.201 108.697  1.00 25.12           O  
-ATOM   1589  OE2 GLU A 194      47.141 107.098 110.877  1.00 29.86           O  
-ATOM   1590  N   ILE A 195      47.288 101.584 108.430  1.00 15.67           N  
-ATOM   1591  CA  ILE A 195      46.494 100.714 107.541  1.00 16.29           C  
-ATOM   1592  C   ILE A 195      45.047 101.184 107.547  1.00 17.49           C  
-ATOM   1593  O   ILE A 195      44.424 101.235 108.614  1.00 17.93           O  
-ATOM   1594  CB  ILE A 195      46.502  99.245 108.003  1.00 17.90           C  
-ATOM   1595  CG1 ILE A 195      47.917  98.676 107.977  1.00 13.83           C  
-ATOM   1596  CG2 ILE A 195      45.596  98.378 107.083  1.00 14.42           C  
-ATOM   1597  CD1 ILE A 195      48.078  97.387 108.824  1.00 14.88           C  
-ATOM   1598  N   ASP A 196      44.529 101.546 106.373  1.00 16.43           N  
-ATOM   1599  CA  ASP A 196      43.123 101.944 106.242  1.00 17.98           C  
-ATOM   1600  C   ASP A 196      42.293 100.760 105.741  1.00 19.09           C  
-ATOM   1601  O   ASP A 196      42.673 100.103 104.781  1.00 16.75           O  
-ATOM   1602  CB  ASP A 196      42.991 103.112 105.272  1.00 21.23           C  
-ATOM   1603  CG  ASP A 196      43.153 104.468 105.958  1.00 22.40           C  
-ATOM   1604  OD1 ASP A 196      43.425 104.495 107.177  1.00 21.31           O  
-ATOM   1605  OD2 ASP A 196      43.010 105.494 105.265  1.00 20.98           O  
-ATOM   1606  N   PHE A 197      41.172 100.509 106.413  1.00 15.41           N  
-ATOM   1607  CA  PHE A 197      40.227  99.443 106.073  1.00 17.31           C  
-ATOM   1608  C   PHE A 197      39.003 100.087 105.417  1.00 14.06           C  
-ATOM   1609  O   PHE A 197      38.360 100.963 106.017  1.00 18.83           O  
-ATOM   1610  CB  PHE A 197      39.800  98.715 107.357  1.00 14.38           C  
-ATOM   1611  CG  PHE A 197      38.778  97.611 107.137  1.00 16.76           C  
-ATOM   1612  CD1 PHE A 197      37.421  97.918 107.034  1.00 18.52           C  
-ATOM   1613  CD2 PHE A 197      39.171  96.275 107.089  1.00 17.48           C  
-ATOM   1614  CE1 PHE A 197      36.460  96.900 106.835  1.00 16.56           C  
-ATOM   1615  CE2 PHE A 197      38.222  95.253 106.898  1.00 17.96           C  
-ATOM   1616  CZ  PHE A 197      36.862  95.583 106.776  1.00 18.83           C  
-ATOM   1617  N   TYR A 198      38.684  99.678 104.196  1.00 15.10           N  
-ATOM   1618  CA  TYR A 198      37.519 100.224 103.503  1.00 14.30           C  
-ATOM   1619  C   TYR A 198      36.426  99.164 103.437  1.00 20.04           C  
-ATOM   1620  O   TYR A 198      36.571  98.167 102.731  1.00 15.76           O  
-ATOM   1621  CB  TYR A 198      37.855 100.638 102.069  1.00 19.35           C  
-ATOM   1622  CG  TYR A 198      38.692 101.893 101.926  1.00 17.67           C  
-ATOM   1623  CD1 TYR A 198      40.075 101.860 102.114  1.00 20.27           C  
-ATOM   1624  CD2 TYR A 198      38.109 103.102 101.560  1.00 19.25           C  
-ATOM   1625  CE1 TYR A 198      40.848 102.999 101.958  1.00 18.66           C  
-ATOM   1626  CE2 TYR A 198      38.874 104.253 101.408  1.00 24.52           C  
-ATOM   1627  CZ  TYR A 198      40.234 104.200 101.615  1.00 21.43           C  
-ATOM   1628  OH  TYR A 198      40.999 105.336 101.455  1.00 22.70           O  
-ATOM   1629  N   GLU A 199      35.334  99.388 104.160  1.00 14.71           N  
-ATOM   1630  CA  GLU A 199      34.187  98.495 104.087  1.00 16.99           C  
-ATOM   1631  C   GLU A 199      33.620  98.594 102.683  1.00 14.19           C  
-ATOM   1632  O   GLU A 199      33.626  99.677 102.076  1.00 17.86           O  
-ATOM   1633  CB  GLU A 199      33.134  98.899 105.143  1.00 20.44           C  
-ATOM   1634  CG  GLU A 199      31.837  98.065 105.121  1.00 16.09           C  
-ATOM   1635  CD  GLU A 199      30.811  98.542 106.159  1.00 27.22           C  
-ATOM   1636  OE1 GLU A 199      31.221  99.151 107.170  1.00 22.41           O  
-ATOM   1637  OE2 GLU A 199      29.595  98.309 105.960  1.00 25.85           O  
-ATOM   1638  N   ALA A 200      33.144  97.468 102.153  1.00 15.51           N  
-ATOM   1639  CA  ALA A 200      32.484  97.469 100.852  1.00 19.83           C  
-ATOM   1640  C   ALA A 200      31.442  98.584 100.747  1.00 22.39           C  
-ATOM   1641  O   ALA A 200      30.648  98.787 101.664  1.00 20.73           O  
-ATOM   1642  CB  ALA A 200      31.812  96.103 100.600  1.00 17.56           C  
-ATOM   1643  N   PHE A 201      31.464  99.297  99.627  1.00 16.76           N  
-ATOM   1644  CA  PHE A 201      30.483 100.330  99.300  1.00 20.52           C  
-ATOM   1645  C   PHE A 201      30.543 101.553 100.206  1.00 27.03           C  
-ATOM   1646  O   PHE A 201      29.698 102.429 100.100  1.00 25.28           O  
-ATOM   1647  CB  PHE A 201      29.057  99.746  99.260  1.00 21.09           C  
-ATOM   1648  CG  PHE A 201      28.909  98.589  98.287  1.00 18.18           C  
-ATOM   1649  CD1 PHE A 201      28.867  98.828  96.920  1.00 23.53           C  
-ATOM   1650  CD2 PHE A 201      28.844  97.280  98.745  1.00 18.09           C  
-ATOM   1651  CE1 PHE A 201      28.750  97.791  96.023  1.00 18.19           C  
-ATOM   1652  CE2 PHE A 201      28.725  96.228  97.848  1.00 17.13           C  
-ATOM   1653  CZ  PHE A 201      28.681  96.493  96.483  1.00 18.28           C  
-ATOM   1654  N   MET A 202      31.546 101.621 101.078  1.00 24.87           N  
-ATOM   1655  CA  MET A 202      31.711 102.784 101.954  1.00 25.72           C  
-ATOM   1656  C   MET A 202      32.784 103.723 101.400  1.00 23.21           C  
-ATOM   1657  O   MET A 202      33.842 103.278 100.958  1.00 23.55           O  
-ATOM   1658  CB  MET A 202      32.075 102.362 103.383  1.00 24.73           C  
-ATOM   1659  CG  MET A 202      30.992 101.581 104.119  1.00 27.18           C  
-ATOM   1660  SD  MET A 202      29.541 102.615 104.440  1.00 29.97           S  
-ATOM   1661  CE  MET A 202      28.285 101.361 104.652  1.00 33.36           C  
-ATOM   1662  N   GLU A 203      32.509 105.022 101.428  1.00 22.40           N  
-ATOM   1663  CA  GLU A 203      33.471 106.016 100.954  1.00 32.78           C  
-ATOM   1664  C   GLU A 203      34.630 106.226 101.927  1.00 27.77           C  
-ATOM   1665  O   GLU A 203      35.786 106.354 101.525  1.00 27.47           O  
-ATOM   1666  CB  GLU A 203      32.768 107.351 100.717  1.00 39.65           C  
-ATOM   1667  CG  GLU A 203      31.738 107.302  99.601  1.00 53.20           C  
-ATOM   1668  CD  GLU A 203      32.028 108.304  98.497  1.00 79.84           C  
-ATOM   1669  OE1 GLU A 203      32.962 109.122  98.663  1.00 83.69           O  
-ATOM   1670  OE2 GLU A 203      31.322 108.269  97.463  1.00 79.01           O  
-ATOM   1671  N   GLU A 204      34.316 106.285 103.211  1.00 22.46           N  
-ATOM   1672  CA  GLU A 204      35.334 106.616 104.196  1.00 25.83           C  
-ATOM   1673  C   GLU A 204      35.852 105.365 104.881  1.00 21.21           C  
-ATOM   1674  O   GLU A 204      35.063 104.530 105.336  1.00 21.63           O  
-ATOM   1675  CB  GLU A 204      34.773 107.583 105.238  1.00 29.36           C  
-ATOM   1676  CG  GLU A 204      34.436 108.967 104.669  1.00 43.48           C  
-ATOM   1677  CD  GLU A 204      35.631 109.639 103.987  1.00 60.63           C  
-ATOM   1678  OE1 GLU A 204      35.449 110.202 102.884  1.00 65.03           O  
-ATOM   1679  OE2 GLU A 204      36.752 109.605 104.548  1.00 58.00           O  
-ATOM   1680  N   PRO A 205      37.184 105.255 105.000  1.00 21.74           N  
-ATOM   1681  CA  PRO A 205      37.781 104.072 105.628  1.00 17.79           C  
-ATOM   1682  C   PRO A 205      37.779 104.193 107.131  1.00 22.58           C  
-ATOM   1683  O   PRO A 205      37.466 105.241 107.660  1.00 24.25           O  
-ATOM   1684  CB  PRO A 205      39.227 104.092 105.096  1.00 21.03           C  
-ATOM   1685  CG  PRO A 205      39.513 105.530 104.843  1.00 22.03           C  
-ATOM   1686  CD  PRO A 205      38.200 106.135 104.382  1.00 24.84           C  
-ATOM   1687  N   VAL A 206      38.107 103.108 107.809  1.00 17.64           N  
-ATOM   1688  CA  VAL A 206      38.347 103.130 109.230  1.00 20.32           C  
-ATOM   1689  C   VAL A 206      39.817 102.733 109.394  1.00 25.81           C  
-ATOM   1690  O   VAL A 206      40.272 101.742 108.812  1.00 21.79           O  
-ATOM   1691  CB  VAL A 206      37.436 102.121 109.966  1.00 23.22           C  
-ATOM   1692  CG1 VAL A 206      37.798 102.039 111.441  1.00 27.67           C  
-ATOM   1693  CG2 VAL A 206      35.975 102.490 109.789  1.00 29.68           C  
-ATOM   1694  N   THR A 207      40.578 103.509 110.155  1.00 24.07           N  
-ATOM   1695  CA  THR A 207      42.010 103.207 110.312  1.00 21.55           C  
-ATOM   1696  C   THR A 207      42.191 102.171 111.404  1.00 19.29           C  
-ATOM   1697  O   THR A 207      41.554 102.252 112.458  1.00 18.69           O  
-ATOM   1698  CB  THR A 207      42.824 104.492 110.624  1.00 25.96           C  
-ATOM   1699  OG1 THR A 207      42.636 105.432 109.567  1.00 24.15           O  
-ATOM   1700  CG2 THR A 207      44.332 104.190 110.741  1.00 20.02           C  
-ATOM   1701  N   ILE A 208      42.997 101.149 111.151  1.00 15.07           N  
-ATOM   1702  CA  ILE A 208      43.238 100.183 112.209  1.00 17.64           C  
-ATOM   1703  C   ILE A 208      43.954 100.879 113.366  1.00 21.83           C  
-ATOM   1704  O   ILE A 208      44.985 101.531 113.170  1.00 21.44           O  
-ATOM   1705  CB  ILE A 208      43.985  98.942 111.727  1.00 19.29           C  
-ATOM   1706  CG1 ILE A 208      43.260  98.342 110.516  1.00 16.01           C  
-ATOM   1707  CG2 ILE A 208      44.071  97.902 112.861  1.00 19.81           C  
-ATOM   1708  CD1 ILE A 208      43.845  96.977 110.043  1.00 17.72           C  
-ATOM   1709  N   PRO A 209      43.387 100.783 114.579  1.00 23.59           N  
-ATOM   1710  CA  PRO A 209      43.996 101.485 115.721  1.00 24.75           C  
-ATOM   1711  C   PRO A 209      45.318 100.894 116.172  1.00 19.07           C  
-ATOM   1712  O   PRO A 209      45.633  99.739 115.881  1.00 18.12           O  
-ATOM   1713  CB  PRO A 209      42.946 101.339 116.844  1.00 27.79           C  
-ATOM   1714  CG  PRO A 209      42.066 100.239 116.412  1.00 33.46           C  
-ATOM   1715  CD  PRO A 209      42.051 100.257 114.908  1.00 20.50           C  
-ATOM   1716  N   ASP A 210      46.092 101.718 116.872  1.00 21.58           N  
-ATOM   1717  CA  ASP A 210      47.279 101.274 117.593  1.00 22.85           C  
-ATOM   1718  C   ASP A 210      48.451 100.866 116.692  1.00 22.74           C  
-ATOM   1719  O   ASP A 210      49.201  99.954 117.023  1.00 22.79           O  
-ATOM   1720  CB  ASP A 210      46.942 100.150 118.578  1.00 22.84           C  
-ATOM   1721  CG  ASP A 210      45.899 100.573 119.618  1.00 36.59           C  
-ATOM   1722  OD1 ASP A 210      45.893 101.752 120.031  1.00 31.85           O  
-ATOM   1723  OD2 ASP A 210      45.074  99.727 120.019  1.00 37.60           O  
-ATOM   1724  N   LYS A 211      48.597 101.547 115.561  1.00 21.88           N  
-ATOM   1725  CA  LYS A 211      49.717 101.264 114.668  1.00 15.55           C  
-ATOM   1726  C   LYS A 211      51.000 101.499 115.454  1.00 28.41           C  
-ATOM   1727  O   LYS A 211      50.997 102.243 116.429  1.00 23.82           O  
-ATOM   1728  CB  LYS A 211      49.677 102.167 113.442  1.00 21.04           C  
-ATOM   1729  CG  LYS A 211      49.842 103.649 113.759  1.00 25.63           C  
-ATOM   1730  CD  LYS A 211      50.488 104.401 112.604  1.00 26.49           C  
-ATOM   1731  CE  LYS A 211      50.912 105.806 113.052  1.00 30.46           C  
-ATOM   1732  NZ  LYS A 211      49.793 106.512 113.768  1.00 37.30           N  
-ATOM   1733  N   PRO A 212      52.093 100.843 115.053  1.00 24.17           N  
-ATOM   1734  CA  PRO A 212      52.124  99.859 113.963  1.00 22.81           C  
-ATOM   1735  C   PRO A 212      51.421  98.581 114.391  1.00 22.56           C  
-ATOM   1736  O   PRO A 212      51.377  98.253 115.581  1.00 23.70           O  
-ATOM   1737  CB  PRO A 212      53.630  99.600 113.748  1.00 21.39           C  
-ATOM   1738  CG  PRO A 212      54.275 100.004 115.018  1.00 32.66           C  
-ATOM   1739  CD  PRO A 212      53.433 101.105 115.612  1.00 25.39           C  
-ATOM   1740  N   ASN A 213      50.881  97.852 113.422  1.00 19.81           N  
-ATOM   1741  CA  ASN A 213      50.013  96.727 113.743  1.00 19.04           C  
-ATOM   1742  C   ASN A 213      50.679  95.389 113.558  1.00 20.98           C  
-ATOM   1743  O   ASN A 213      51.300  95.112 112.520  1.00 21.37           O  
-ATOM   1744  CB  ASN A 213      48.761  96.767 112.878  1.00 17.59           C  
-ATOM   1745  CG  ASN A 213      47.947  98.028 113.088  1.00 20.03           C  
-ATOM   1746  OD1 ASN A 213      47.700  98.779 112.149  1.00 19.01           O  
-ATOM   1747  ND2 ASN A 213      47.537  98.268 114.322  1.00 19.16           N  
-ATOM   1748  N   SER A 214      50.514  94.532 114.557  1.00 17.95           N  
-ATOM   1749  CA  SER A 214      50.982  93.171 114.442  1.00 20.59           C  
-ATOM   1750  C   SER A 214      50.085  92.433 113.459  1.00 19.86           C  
-ATOM   1751  O   SER A 214      48.978  92.895 113.126  1.00 17.86           O  
-ATOM   1752  CB  SER A 214      50.920  92.485 115.806  1.00 20.90           C  
-ATOM   1753  OG  SER A 214      49.564  92.393 116.221  1.00 24.20           O  
-ATOM   1754  N   GLU A 215      50.577  91.302 112.979  1.00 16.76           N  
-ATOM   1755  CA  GLU A 215      49.772  90.415 112.152  1.00 22.47           C  
-ATOM   1756  C   GLU A 215      48.447  90.097 112.846  1.00 21.37           C  
-ATOM   1757  O   GLU A 215      47.399  90.146 112.226  1.00 16.99           O  
-ATOM   1758  CB  GLU A 215      50.566  89.138 111.859  1.00 22.44           C  
-ATOM   1759  CG  GLU A 215      49.760  87.978 111.362  1.00 27.15           C  
-ATOM   1760  CD  GLU A 215      50.586  86.708 111.312  1.00 38.15           C  
-ATOM   1761  OE1 GLU A 215      51.834  86.792 111.438  1.00 34.07           O  
-ATOM   1762  OE2 GLU A 215      49.986  85.629 111.149  1.00 36.07           O  
-ATOM   1763  N   GLU A 216      48.496  89.780 114.138  1.00 18.92           N  
-ATOM   1764  CA  GLU A 216      47.270  89.448 114.871  1.00 22.74           C  
-ATOM   1765  C   GLU A 216      46.285  90.626 114.984  1.00 19.03           C  
-ATOM   1766  O   GLU A 216      45.066  90.430 114.891  1.00 18.52           O  
-ATOM   1767  CB  GLU A 216      47.607  88.913 116.266  1.00 25.08           C  
-ATOM   1768  CG  GLU A 216      48.329  87.578 116.254  1.00 24.66           C  
-ATOM   1769  CD  GLU A 216      49.828  87.705 116.056  1.00 32.74           C  
-ATOM   1770  OE1 GLU A 216      50.337  88.844 115.919  1.00 26.62           O  
-ATOM   1771  OE2 GLU A 216      50.500  86.657 116.037  1.00 35.96           O  
-ATOM   1772  N   GLU A 217      46.801  91.838 115.194  1.00 17.78           N  
-ATOM   1773  CA  GLU A 217      45.938  93.013 115.273  1.00 18.81           C  
-ATOM   1774  C   GLU A 217      45.168  93.201 113.967  1.00 18.56           C  
-ATOM   1775  O   GLU A 217      43.987  93.539 113.971  1.00 15.86           O  
-ATOM   1776  CB  GLU A 217      46.748  94.276 115.585  1.00 17.75           C  
-ATOM   1777  CG  GLU A 217      46.995  94.507 117.059  1.00 23.90           C  
-ATOM   1778  CD  GLU A 217      48.030  95.590 117.321  1.00 30.53           C  
-ATOM   1779  OE1 GLU A 217      48.692  96.033 116.370  1.00 25.28           O  
-ATOM   1780  OE2 GLU A 217      48.199  95.998 118.483  1.00 40.23           O  
-ATOM   1781  N   ILE A 218      45.841  92.967 112.848  1.00 18.65           N  
-ATOM   1782  CA  ILE A 218      45.202  93.146 111.545  1.00 16.54           C  
-ATOM   1783  C   ILE A 218      44.141  92.086 111.333  1.00 16.66           C  
-ATOM   1784  O   ILE A 218      42.990  92.394 110.982  1.00 15.67           O  
-ATOM   1785  CB  ILE A 218      46.242  93.095 110.411  1.00 15.87           C  
-ATOM   1786  CG1 ILE A 218      47.315  94.164 110.655  1.00 14.98           C  
-ATOM   1787  CG2 ILE A 218      45.566  93.291 109.046  1.00 17.76           C  
-ATOM   1788  CD1 ILE A 218      48.541  94.032 109.733  1.00 15.20           C  
-ATOM   1789  N   VAL A 219      44.528  90.836 111.553  1.00 16.85           N  
-ATOM   1790  CA  VAL A 219      43.586  89.718 111.415  1.00 17.05           C  
-ATOM   1791  C   VAL A 219      42.377  89.890 112.330  1.00 17.41           C  
-ATOM   1792  O   VAL A 219      41.256  89.663 111.889  1.00 17.32           O  
-ATOM   1793  CB  VAL A 219      44.270  88.342 111.651  1.00 17.46           C  
-ATOM   1794  CG1 VAL A 219      43.236  87.214 111.757  1.00 21.29           C  
-ATOM   1795  CG2 VAL A 219      45.304  88.055 110.551  1.00 18.95           C  
-ATOM   1796  N   ASN A 220      42.586  90.263 113.597  1.00 20.12           N  
-ATOM   1797  CA  ASN A 220      41.456  90.496 114.518  1.00 17.85           C  
-ATOM   1798  C   ASN A 220      40.515  91.566 113.978  1.00 20.77           C  
-ATOM   1799  O   ASN A 220      39.297  91.427 114.016  1.00 18.66           O  
-ATOM   1800  CB  ASN A 220      41.946  90.979 115.888  1.00 20.77           C  
-ATOM   1801  CG  ASN A 220      42.570  89.873 116.717  1.00 39.50           C  
-ATOM   1802  OD1 ASN A 220      42.276  88.693 116.521  1.00 44.27           O  
-ATOM   1803  ND2 ASN A 220      43.437  90.252 117.664  1.00 37.85           N  
-ATOM   1804  N   PHE A 221      41.090  92.667 113.507  1.00 18.05           N  
-ATOM   1805  CA  PHE A 221      40.297  93.771 112.988  1.00 13.59           C  
-ATOM   1806  C   PHE A 221      39.482  93.343 111.773  1.00 16.90           C  
-ATOM   1807  O   PHE A 221      38.288  93.663 111.655  1.00 20.18           O  
-ATOM   1808  CB  PHE A 221      41.200  94.958 112.617  1.00 15.98           C  
-ATOM   1809  CG  PHE A 221      40.438  96.189 112.255  1.00 20.46           C  
-ATOM   1810  CD1 PHE A 221      40.191  97.169 113.205  1.00 21.55           C  
-ATOM   1811  CD2 PHE A 221      39.930  96.357 110.970  1.00 17.36           C  
-ATOM   1812  CE1 PHE A 221      39.477  98.300 112.879  1.00 22.25           C  
-ATOM   1813  CE2 PHE A 221      39.217  97.490 110.639  1.00 20.40           C  
-ATOM   1814  CZ  PHE A 221      38.990  98.465 111.601  1.00 22.02           C  
-ATOM   1815  N   VAL A 222      40.112  92.620 110.857  1.00 16.20           N  
-ATOM   1816  CA  VAL A 222      39.396  92.210 109.643  1.00 19.87           C  
-ATOM   1817  C   VAL A 222      38.257  91.254 110.010  1.00 19.92           C  
-ATOM   1818  O   VAL A 222      37.132  91.387 109.515  1.00 17.46           O  
-ATOM   1819  CB  VAL A 222      40.348  91.583 108.604  1.00 20.57           C  
-ATOM   1820  CG1 VAL A 222      39.574  90.986 107.419  1.00 17.94           C  
-ATOM   1821  CG2 VAL A 222      41.358  92.654 108.124  1.00 18.09           C  
-ATOM   1822  N   GLU A 223      38.535  90.317 110.908  1.00 19.34           N  
-ATOM   1823  CA  GLU A 223      37.487  89.386 111.341  1.00 21.95           C  
-ATOM   1824  C   GLU A 223      36.313  90.111 111.966  1.00 23.26           C  
-ATOM   1825  O   GLU A 223      35.159  89.828 111.633  1.00 22.19           O  
-ATOM   1826  CB  GLU A 223      38.030  88.308 112.281  1.00 23.06           C  
-ATOM   1827  CG  GLU A 223      38.838  87.248 111.553  1.00 32.46           C  
-ATOM   1828  CD  GLU A 223      37.977  86.417 110.594  1.00 30.39           C  
-ATOM   1829  OE1 GLU A 223      36.736  86.502 110.671  1.00 39.86           O  
-ATOM   1830  OE2 GLU A 223      38.547  85.679 109.769  1.00 47.93           O  
-ATOM   1831  N   GLU A 224      36.594  91.046 112.862  1.00 20.69           N  
-ATOM   1832  CA  GLU A 224      35.527  91.809 113.480  1.00 24.44           C  
-ATOM   1833  C   GLU A 224      34.738  92.613 112.454  1.00 31.22           C  
-ATOM   1834  O   GLU A 224      33.571  92.917 112.670  1.00 29.28           O  
-ATOM   1835  CB  GLU A 224      36.044  92.744 114.575  1.00 26.47           C  
-ATOM   1836  CG  GLU A 224      34.968  93.732 114.997  1.00 39.73           C  
-ATOM   1837  CD  GLU A 224      35.295  94.480 116.269  1.00 53.05           C  
-ATOM   1838  OE1 GLU A 224      36.336  94.175 116.881  1.00 51.54           O  
-ATOM   1839  OE2 GLU A 224      34.504  95.370 116.654  1.00 54.03           O  
-ATOM   1840  N   HIS A 225      35.364  92.948 111.332  1.00 21.83           N  
-ATOM   1841  CA  HIS A 225      34.697  93.772 110.321  1.00 23.22           C  
-ATOM   1842  C   HIS A 225      34.391  92.989 109.048  1.00 22.85           C  
-ATOM   1843  O   HIS A 225      34.258  93.557 107.968  1.00 23.46           O  
-ATOM   1844  CB  HIS A 225      35.554  94.994 109.989  1.00 21.14           C  
-ATOM   1845  CG  HIS A 225      35.690  95.955 111.127  1.00 21.27           C  
-ATOM   1846  ND1 HIS A 225      36.577  95.760 112.166  1.00 24.39           N  
-ATOM   1847  CD2 HIS A 225      35.044  97.115 111.396  1.00 31.63           C  
-ATOM   1848  CE1 HIS A 225      36.471  96.759 113.023  1.00 28.56           C  
-ATOM   1849  NE2 HIS A 225      35.552  97.597 112.576  1.00 32.97           N  
-ATOM   1850  N   ARG A 226      34.261  91.680 109.197  1.00 19.84           N  
-ATOM   1851  CA  ARG A 226      34.094  90.781 108.066  1.00 23.64           C  
-ATOM   1852  C   ARG A 226      32.786  91.034 107.303  1.00 21.33           C  
-ATOM   1853  O   ARG A 226      32.741  90.897 106.088  1.00 23.19           O  
-ATOM   1854  CB  ARG A 226      34.146  89.328 108.563  1.00 26.54           C  
-ATOM   1855  CG  ARG A 226      34.346  88.306 107.488  1.00 36.03           C  
-ATOM   1856  CD  ARG A 226      35.752  88.408 106.934  1.00 37.91           C  
-ATOM   1857  NE  ARG A 226      35.978  87.447 105.862  1.00 45.53           N  
-ATOM   1858  CZ  ARG A 226      36.460  86.221 106.051  1.00 54.64           C  
-ATOM   1859  NH1 ARG A 226      36.773  85.807 107.275  1.00 43.86           N  
-ATOM   1860  NH2 ARG A 226      36.638  85.412 105.013  1.00 58.74           N  
-ATOM   1861  N   ARG A 227      31.726  91.409 108.017  1.00 21.39           N  
-ATOM   1862  CA  ARG A 227      30.412  91.573 107.385  1.00 20.08           C  
-ATOM   1863  C   ARG A 227      30.091  93.025 107.061  1.00 21.58           C  
-ATOM   1864  O   ARG A 227      29.833  93.817 107.968  1.00 18.07           O  
-ATOM   1865  CB  ARG A 227      29.308  90.993 108.293  1.00 23.07           C  
-ATOM   1866  CG  ARG A 227      27.922  90.974 107.647  1.00 20.34           C  
-ATOM   1867  CD  ARG A 227      26.824  90.624 108.649  1.00 22.85           C  
-ATOM   1868  NE  ARG A 227      26.996  89.286 109.206  1.00 26.57           N  
-ATOM   1869  CZ  ARG A 227      27.141  89.026 110.505  1.00 46.00           C  
-ATOM   1870  NH1 ARG A 227      27.140  90.015 111.395  1.00 42.21           N  
-ATOM   1871  NH2 ARG A 227      27.283  87.775 110.921  1.00 41.86           N  
-ATOM   1872  N   SER A 228      30.084  93.374 105.776  1.00 18.34           N  
-ATOM   1873  CA  SER A 228      29.736  94.734 105.367  1.00 18.58           C  
-ATOM   1874  C   SER A 228      28.222  94.929 105.462  1.00 23.25           C  
-ATOM   1875  O   SER A 228      27.438  93.982 105.307  1.00 18.49           O  
-ATOM   1876  CB  SER A 228      30.193  95.019 103.931  1.00 15.94           C  
-ATOM   1877  OG  SER A 228      31.605  94.878 103.803  1.00 21.84           O  
-ATOM   1878  N   THR A 229      27.824  96.167 105.714  1.00 19.72           N  
-ATOM   1879  CA  THR A 229      26.415  96.524 105.814  1.00 18.48           C  
-ATOM   1880  C   THR A 229      25.697  96.217 104.504  1.00 16.67           C  
-ATOM   1881  O   THR A 229      24.581  95.728 104.513  1.00 19.82           O  
-ATOM   1882  CB  THR A 229      26.264  98.010 106.173  1.00 20.81           C  
-ATOM   1883  OG1 THR A 229      26.919  98.243 107.423  1.00 20.11           O  
-ATOM   1884  CG2 THR A 229      24.781  98.399 106.295  1.00 18.01           C  
-ATOM   1885  N   LEU A 230      26.354  96.498 103.378  1.00 17.26           N  
-ATOM   1886  CA  LEU A 230      25.870  96.056 102.076  1.00 14.90           C  
-ATOM   1887  C   LEU A 230      26.938  95.131 101.504  1.00 16.43           C  
-ATOM   1888  O   LEU A 230      28.099  95.526 101.395  1.00 15.75           O  
-ATOM   1889  CB  LEU A 230      25.696  97.259 101.147  1.00 13.66           C  
-ATOM   1890  CG  LEU A 230      25.222  97.007  99.711  1.00 18.39           C  
-ATOM   1891  CD1 LEU A 230      23.902  96.229  99.727  1.00 20.73           C  
-ATOM   1892  CD2 LEU A 230      25.060  98.294  98.921  1.00 19.43           C  
-ATOM   1893  N   ARG A 231      26.571  93.900 101.176  1.00 16.72           N  
-ATOM   1894  CA  ARG A 231      27.557  92.994 100.583  1.00 19.12           C  
-ATOM   1895  C   ARG A 231      27.003  92.350  99.324  1.00 19.90           C  
-ATOM   1896  O   ARG A 231      25.810  92.081  99.236  1.00 16.84           O  
-ATOM   1897  CB  ARG A 231      28.003  91.935 101.592  1.00 18.00           C  
-ATOM   1898  CG  ARG A 231      26.867  91.212 102.259  1.00 20.61           C  
-ATOM   1899  CD  ARG A 231      27.400  90.300 103.385  1.00 23.11           C  
-ATOM   1900  NE  ARG A 231      26.295  89.790 104.192  1.00 25.92           N  
-ATOM   1901  CZ  ARG A 231      26.381  88.764 105.025  1.00 25.06           C  
-ATOM   1902  NH1 ARG A 231      27.517  88.106 105.150  1.00 20.53           N  
-ATOM   1903  NH2 ARG A 231      25.318  88.392 105.720  1.00 26.93           N  
-ATOM   1904  N   LYS A 232      27.862  92.140  98.330  1.00 14.80           N  
-ATOM   1905  CA  LYS A 232      27.402  91.540  97.083  1.00 16.25           C  
-ATOM   1906  C   LYS A 232      27.493  90.014  97.115  1.00 18.31           C  
-ATOM   1907  O   LYS A 232      28.492  89.465  97.563  1.00 19.50           O  
-ATOM   1908  CB  LYS A 232      28.226  92.070  95.917  1.00 16.34           C  
-ATOM   1909  CG  LYS A 232      27.654  91.703  94.544  1.00 15.06           C  
-ATOM   1910  CD  LYS A 232      28.474  92.406  93.442  1.00 18.72           C  
-ATOM   1911  CE  LYS A 232      27.831  92.151  92.084  1.00 18.53           C  
-ATOM   1912  NZ  LYS A 232      28.496  92.901  90.989  1.00 21.62           N  
-ATOM   1913  N   LEU A 233      26.458  89.327  96.637  1.00 14.01           N  
-ATOM   1914  CA  LEU A 233      26.540  87.878  96.472  1.00 14.78           C  
-ATOM   1915  C   LEU A 233      27.421  87.631  95.264  1.00 17.99           C  
-ATOM   1916  O   LEU A 233      27.104  88.080  94.156  1.00 18.68           O  
-ATOM   1917  CB  LEU A 233      25.176  87.263  96.193  1.00 15.59           C  
-ATOM   1918  CG  LEU A 233      25.128  85.740  96.390  1.00 16.69           C  
-ATOM   1919  CD1 LEU A 233      25.254  85.402  97.866  1.00 21.18           C  
-ATOM   1920  CD2 LEU A 233      23.851  85.167  95.826  1.00 17.39           C  
-ATOM   1921  N   LYS A 234      28.528  86.930  95.475  1.00 18.16           N  
-ATOM   1922  CA  LYS A 234      29.465  86.643  94.392  1.00 17.04           C  
-ATOM   1923  C   LYS A 234      29.610  85.134  94.245  1.00 14.44           C  
-ATOM   1924  O   LYS A 234      29.656  84.423  95.244  1.00 16.95           O  
-ATOM   1925  CB  LYS A 234      30.845  87.242  94.725  1.00 15.64           C  
-ATOM   1926  CG  LYS A 234      30.803  88.770  94.871  1.00 23.31           C  
-ATOM   1927  CD  LYS A 234      32.202  89.344  94.967  1.00 28.90           C  
-ATOM   1928  CE  LYS A 234      32.163  90.872  95.047  1.00 23.25           C  
-ATOM   1929  NZ  LYS A 234      33.546  91.406  95.275  1.00 27.42           N  
-ATOM   1930  N   PRO A 235      29.679  84.643  92.997  1.00 18.15           N  
-ATOM   1931  CA  PRO A 235      29.787  83.192  92.762  1.00 16.78           C  
-ATOM   1932  C   PRO A 235      30.883  82.529  93.617  1.00 18.46           C  
-ATOM   1933  O   PRO A 235      30.673  81.466  94.190  1.00 21.05           O  
-ATOM   1934  CB  PRO A 235      30.127  83.120  91.269  1.00 20.53           C  
-ATOM   1935  CG  PRO A 235      29.330  84.293  90.691  1.00 21.03           C  
-ATOM   1936  CD  PRO A 235      29.590  85.396  91.735  1.00 20.42           C  
-ATOM   1937  N   GLU A 236      32.029  83.182  93.737  1.00 20.23           N  
-ATOM   1938  CA  GLU A 236      33.168  82.592  94.449  1.00 21.17           C  
-ATOM   1939  C   GLU A 236      32.920  82.418  95.954  1.00 21.79           C  
-ATOM   1940  O   GLU A 236      33.632  81.657  96.629  1.00 21.49           O  
-ATOM   1941  CB  GLU A 236      34.409  83.463  94.219  1.00 19.12           C  
-ATOM   1942  CG  GLU A 236      34.285  84.847  94.868  1.00 26.54           C  
-ATOM   1943  CD  GLU A 236      35.586  85.647  94.888  1.00 40.96           C  
-ATOM   1944  OE1 GLU A 236      35.612  86.743  95.512  1.00 34.99           O  
-ATOM   1945  OE2 GLU A 236      36.580  85.185  94.287  1.00 42.04           O  
-ATOM   1946  N   SER A 237      31.917  83.114  96.488  1.00 20.67           N  
-ATOM   1947  CA  SER A 237      31.700  83.134  97.937  1.00 20.47           C  
-ATOM   1948  C   SER A 237      30.237  82.995  98.333  1.00 19.75           C  
-ATOM   1949  O   SER A 237      29.900  83.192  99.497  1.00 19.88           O  
-ATOM   1950  CB  SER A 237      32.284  84.417  98.570  1.00 16.36           C  
-ATOM   1951  OG  SER A 237      31.806  85.591  97.932  1.00 17.84           O  
-ATOM   1952  N   MET A 238      29.375  82.634  97.385  1.00 16.53           N  
-ATOM   1953  CA  MET A 238      27.939  82.726  97.627  1.00 19.22           C  
-ATOM   1954  C   MET A 238      27.453  81.944  98.845  1.00 21.09           C  
-ATOM   1955  O   MET A 238      26.555  82.403  99.555  1.00 17.95           O  
-ATOM   1956  CB  MET A 238      27.139  82.318  96.386  1.00 18.47           C  
-ATOM   1957  CG  MET A 238      27.368  80.876  95.972  1.00 20.05           C  
-ATOM   1958  SD  MET A 238      26.740  80.540  94.332  1.00 20.00           S  
-ATOM   1959  CE  MET A 238      25.009  80.955  94.550  1.00 19.24           C  
-ATOM   1960  N   TYR A 239      28.029  80.773  99.100  1.00 19.34           N  
-ATOM   1961  CA  TYR A 239      27.503  79.933 100.179  1.00 22.60           C  
-ATOM   1962  C   TYR A 239      27.863  80.481 101.561  1.00 22.92           C  
-ATOM   1963  O   TYR A 239      27.054  80.430 102.493  1.00 21.56           O  
-ATOM   1964  CB  TYR A 239      27.931  78.464 100.003  1.00 23.11           C  
-ATOM   1965  CG  TYR A 239      27.412  77.851  98.721  1.00 22.90           C  
-ATOM   1966  CD1 TYR A 239      26.060  77.600  98.549  1.00 29.22           C  
-ATOM   1967  CD2 TYR A 239      28.271  77.544  97.672  1.00 26.79           C  
-ATOM   1968  CE1 TYR A 239      25.574  77.059  97.377  1.00 33.57           C  
-ATOM   1969  CE2 TYR A 239      27.790  76.992  96.491  1.00 21.35           C  
-ATOM   1970  CZ  TYR A 239      26.442  76.759  96.352  1.00 30.70           C  
-ATOM   1971  OH  TYR A 239      25.949  76.220  95.189  1.00 28.79           O  
-ATOM   1972  N   GLU A 240      29.068  81.023 101.680  1.00 23.93           N  
-ATOM   1973  CA  GLU A 240      29.512  81.653 102.919  1.00 22.25           C  
-ATOM   1974  C   GLU A 240      28.639  82.860 103.223  1.00 24.23           C  
-ATOM   1975  O   GLU A 240      28.191  83.027 104.349  1.00 24.51           O  
-ATOM   1976  CB  GLU A 240      30.962  82.117 102.833  1.00 25.94           C  
-ATOM   1977  CG  GLU A 240      31.384  82.952 104.064  1.00 29.25           C  
-ATOM   1978  CD  GLU A 240      32.669  83.729 103.856  1.00 43.29           C  
-ATOM   1979  OE1 GLU A 240      32.612  84.830 103.272  1.00 39.55           O  
-ATOM   1980  OE2 GLU A 240      33.740  83.241 104.278  1.00 53.35           O  
-ATOM   1981  N   THR A 241      28.403  83.700 102.216  1.00 21.10           N  
-ATOM   1982  CA  THR A 241      27.514  84.842 102.397  1.00 20.68           C  
-ATOM   1983  C   THR A 241      26.104  84.415 102.805  1.00 16.25           C  
-ATOM   1984  O   THR A 241      25.572  84.916 103.786  1.00 23.63           O  
-ATOM   1985  CB  THR A 241      27.457  85.721 101.130  1.00 23.40           C  
-ATOM   1986  OG1 THR A 241      28.783  86.153 100.817  1.00 21.14           O  
-ATOM   1987  CG2 THR A 241      26.576  86.951 101.353  1.00 19.27           C  
-ATOM   1988  N   TRP A 242      25.486  83.509 102.050  1.00 16.90           N  
-ATOM   1989  CA  TRP A 242      24.126  83.091 102.378  1.00 20.04           C  
-ATOM   1990  C   TRP A 242      24.024  82.406 103.744  1.00 24.02           C  
-ATOM   1991  O   TRP A 242      23.046  82.587 104.471  1.00 22.37           O  
-ATOM   1992  CB  TRP A 242      23.512  82.199 101.292  1.00 22.41           C  
-ATOM   1993  CG  TRP A 242      22.041  82.041 101.515  1.00 24.39           C  
-ATOM   1994  CD1 TRP A 242      21.400  80.958 102.044  1.00 24.00           C  
-ATOM   1995  CD2 TRP A 242      21.033  83.030 101.272  1.00 19.12           C  
-ATOM   1996  NE1 TRP A 242      20.037  81.213 102.132  1.00 25.71           N  
-ATOM   1997  CE2 TRP A 242      19.795  82.478 101.661  1.00 21.39           C  
-ATOM   1998  CE3 TRP A 242      21.059  84.329 100.754  1.00 22.46           C  
-ATOM   1999  CZ2 TRP A 242      18.587  83.182 101.548  1.00 21.31           C  
-ATOM   2000  CZ3 TRP A 242      19.851  85.031 100.639  1.00 23.01           C  
-ATOM   2001  CH2 TRP A 242      18.638  84.452 101.034  1.00 23.22           C  
-ATOM   2002  N   GLU A 243      25.034  81.627 104.106  1.00 27.16           N  
-ATOM   2003  CA  GLU A 243      24.961  80.911 105.377  1.00 31.47           C  
-ATOM   2004  C   GLU A 243      25.161  81.845 106.577  1.00 28.14           C  
-ATOM   2005  O   GLU A 243      24.821  81.490 107.699  1.00 29.21           O  
-ATOM   2006  CB  GLU A 243      25.907  79.697 105.377  1.00 32.35           C  
-ATOM   2007  CG  GLU A 243      25.421  78.607 104.403  1.00 36.81           C  
-ATOM   2008  CD  GLU A 243      26.460  77.521 104.107  1.00 48.36           C  
-ATOM   2009  OE1 GLU A 243      26.246  76.732 103.160  1.00 40.91           O  
-ATOM   2010  OE2 GLU A 243      27.482  77.448 104.815  1.00 49.09           O  
-ATOM   2011  N   ASP A 244      25.654  83.058 106.320  1.00 23.46           N  
-ATOM   2012  CA  ASP A 244      25.863  84.069 107.362  1.00 20.85           C  
-ATOM   2013  C   ASP A 244      24.588  84.905 107.584  1.00 27.96           C  
-ATOM   2014  O   ASP A 244      24.598  86.134 107.439  1.00 27.57           O  
-ATOM   2015  CB  ASP A 244      27.028  84.989 106.980  1.00 26.23           C  
-ATOM   2016  CG  ASP A 244      27.415  85.955 108.097  1.00 32.46           C  
-ATOM   2017  OD1 ASP A 244      27.858  87.082 107.782  1.00 25.11           O  
-ATOM   2018  OD2 ASP A 244      27.291  85.593 109.288  1.00 27.11           O  
-ATOM   2019  N   ASP A 245      23.496  84.234 107.935  1.00 28.23           N  
-ATOM   2020  CA  ASP A 245      22.207  84.913 108.089  1.00 30.37           C  
-ATOM   2021  C   ASP A 245      22.164  85.787 109.338  1.00 33.61           C  
-ATOM   2022  O   ASP A 245      22.941  85.601 110.273  1.00 28.87           O  
-ATOM   2023  CB  ASP A 245      21.064  83.895 108.134  1.00 26.17           C  
-ATOM   2024  CG  ASP A 245      21.179  82.953 109.312  1.00 35.21           C  
-ATOM   2025  OD1 ASP A 245      20.570  83.234 110.364  1.00 32.47           O  
-ATOM   2026  OD2 ASP A 245      21.902  81.946 109.195  1.00 37.48           O  
-ATOM   2027  N   MET A 246      21.227  86.728 109.353  1.00 28.95           N  
-ATOM   2028  CA  MET A 246      21.048  87.614 110.486  1.00 28.81           C  
-ATOM   2029  C   MET A 246      19.826  87.146 111.259  1.00 32.26           C  
-ATOM   2030  O   MET A 246      18.723  87.555 110.952  1.00 28.54           O  
-ATOM   2031  CB  MET A 246      20.832  89.043 109.987  1.00 27.49           C  
-ATOM   2032  CG  MET A 246      21.863  89.480 108.963  0.49 30.57           C  
-ATOM   2033  SD  MET A 246      23.515  89.475 109.690  0.45 29.05           S  
-ATOM   2034  CE  MET A 246      23.335  90.800 110.883  1.00 33.08           C  
-ATOM   2035  N   ASP A 247      20.026  86.267 112.236  1.00 28.93           N  
-ATOM   2036  CA  ASP A 247      18.922  85.727 113.022  1.00 33.78           C  
-ATOM   2037  C   ASP A 247      17.860  85.068 112.165  1.00 34.19           C  
-ATOM   2038  O   ASP A 247      16.676  85.240 112.433  1.00 33.80           O  
-ATOM   2039  CB  ASP A 247      18.236  86.823 113.839  1.00 41.23           C  
-ATOM   2040  CG  ASP A 247      19.067  87.292 115.009  1.00 51.60           C  
-ATOM   2041  OD1 ASP A 247      19.907  86.508 115.503  1.00 52.11           O  
-ATOM   2042  OD2 ASP A 247      18.867  88.450 115.439  1.00 56.30           O  
-ATOM   2043  N   GLY A 248      18.270  84.348 111.123  1.00 25.13           N  
-ATOM   2044  CA  GLY A 248      17.347  83.507 110.379  1.00 23.66           C  
-ATOM   2045  C   GLY A 248      16.730  84.133 109.137  1.00 23.13           C  
-ATOM   2046  O   GLY A 248      15.927  83.494 108.454  1.00 23.55           O  
-ATOM   2047  N   ILE A 249      17.089  85.379 108.855  1.00 23.92           N  
-ATOM   2048  CA  ILE A 249      16.623  86.054 107.638  1.00 24.80           C  
-ATOM   2049  C   ILE A 249      17.766  86.795 106.968  1.00 23.45           C  
-ATOM   2050  O   ILE A 249      18.801  87.028 107.581  1.00 20.26           O  
-ATOM   2051  CB  ILE A 249      15.552  87.121 107.931  1.00 26.13           C  
-ATOM   2052  CG1 ILE A 249      16.125  88.185 108.865  1.00 27.16           C  
-ATOM   2053  CG2 ILE A 249      14.262  86.487 108.478  1.00 30.36           C  
-ATOM   2054  CD1 ILE A 249      15.178  89.309 109.152  1.00 36.67           C  
-ATOM   2055  N   HIS A 250      17.549  87.181 105.711  1.00 20.04           N  
-ATOM   2056  CA  HIS A 250      18.427  88.088 105.003  1.00 20.60           C  
-ATOM   2057  C   HIS A 250      17.529  89.137 104.387  1.00 20.75           C  
-ATOM   2058  O   HIS A 250      16.474  88.810 103.852  1.00 20.15           O  
-ATOM   2059  CB  HIS A 250      19.126  87.393 103.823  1.00 17.84           C  
-ATOM   2060  CG  HIS A 250      20.315  86.565 104.200  1.00 19.98           C  
-ATOM   2061  ND1 HIS A 250      21.454  87.107 104.760  1.00 19.42           N  
-ATOM   2062  CD2 HIS A 250      20.558  85.240 104.061  1.00 20.27           C  
-ATOM   2063  CE1 HIS A 250      22.340  86.149 104.965  1.00 19.62           C  
-ATOM   2064  NE2 HIS A 250      21.821  85.006 104.552  1.00 20.82           N  
-ATOM   2065  N   ILE A 251      17.967  90.383 104.417  1.00 18.23           N  
-ATOM   2066  CA  ILE A 251      17.401  91.367 103.523  1.00 17.33           C  
-ATOM   2067  C   ILE A 251      18.121  91.200 102.190  1.00 22.86           C  
-ATOM   2068  O   ILE A 251      19.353  91.231 102.146  1.00 19.25           O  
-ATOM   2069  CB  ILE A 251      17.607  92.774 104.069  1.00 17.49           C  
-ATOM   2070  CG1 ILE A 251      16.956  92.879 105.456  1.00 23.58           C  
-ATOM   2071  CG2 ILE A 251      17.032  93.809 103.112  1.00 18.11           C  
-ATOM   2072  CD1 ILE A 251      17.390  94.120 106.221  1.00 23.73           C  
-ATOM   2073  N   VAL A 252      17.353  91.000 101.118  1.00 17.74           N  
-ATOM   2074  CA  VAL A 252      17.921  90.737  99.795  1.00 18.24           C  
-ATOM   2075  C   VAL A 252      17.471  91.808  98.813  1.00 21.03           C  
-ATOM   2076  O   VAL A 252      16.283  92.118  98.719  1.00 17.23           O  
-ATOM   2077  CB  VAL A 252      17.471  89.370  99.240  1.00 16.55           C  
-ATOM   2078  CG1 VAL A 252      18.048  89.157  97.825  1.00 20.60           C  
-ATOM   2079  CG2 VAL A 252      17.899  88.257 100.160  1.00 18.06           C  
-ATOM   2080  N   ALA A 253      18.420  92.394  98.099  1.00 13.61           N  
-ATOM   2081  CA  ALA A 253      18.080  93.340  97.046  1.00 12.20           C  
-ATOM   2082  C   ALA A 253      18.587  92.861  95.687  1.00 18.56           C  
-ATOM   2083  O   ALA A 253      19.765  92.526  95.550  1.00 18.73           O  
-ATOM   2084  CB  ALA A 253      18.656  94.691  97.352  1.00 18.05           C  
-ATOM   2085  N   PHE A 254      17.702  92.835  94.689  1.00 16.81           N  
-ATOM   2086  CA  PHE A 254      18.078  92.494  93.316  1.00 15.58           C  
-ATOM   2087  C   PHE A 254      18.211  93.773  92.516  1.00 18.17           C  
-ATOM   2088  O   PHE A 254      17.292  94.616  92.479  1.00 18.42           O  
-ATOM   2089  CB  PHE A 254      17.007  91.616  92.625  1.00 15.22           C  
-ATOM   2090  CG  PHE A 254      16.964  90.198  93.111  1.00 14.55           C  
-ATOM   2091  CD1 PHE A 254      17.841  89.239  92.599  1.00 14.61           C  
-ATOM   2092  CD2 PHE A 254      16.032  89.811  94.062  1.00 16.69           C  
-ATOM   2093  CE1 PHE A 254      17.802  87.938  93.020  1.00 15.75           C  
-ATOM   2094  CE2 PHE A 254      15.985  88.498  94.509  1.00 16.32           C  
-ATOM   2095  CZ  PHE A 254      16.859  87.553  93.984  1.00 15.19           C  
-ATOM   2096  N   ALA A 255      19.342  93.913  91.842  1.00 16.46           N  
-ATOM   2097  CA  ALA A 255      19.586  95.098  91.039  1.00 19.24           C  
-ATOM   2098  C   ALA A 255      20.591  94.768  89.947  1.00 18.57           C  
-ATOM   2099  O   ALA A 255      21.712  94.325  90.229  1.00 18.08           O  
-ATOM   2100  CB  ALA A 255      20.114  96.238  91.915  1.00 18.98           C  
-ATOM   2101  N   GLU A 256      20.182  94.981  88.703  1.00 16.59           N  
-ATOM   2102  CA  GLU A 256      21.066  94.749  87.564  1.00 15.23           C  
-ATOM   2103  C   GLU A 256      21.874  96.013  87.303  1.00 17.97           C  
-ATOM   2104  O   GLU A 256      21.362  97.019  86.822  1.00 19.84           O  
-ATOM   2105  CB  GLU A 256      20.257  94.339  86.327  1.00 19.09           C  
-ATOM   2106  CG  GLU A 256      21.139  93.928  85.169  1.00 30.87           C  
-ATOM   2107  CD  GLU A 256      20.347  93.489  83.960  1.00 50.56           C  
-ATOM   2108  OE1 GLU A 256      19.113  93.266  84.103  1.00 30.15           O  
-ATOM   2109  OE2 GLU A 256      20.971  93.377  82.875  1.00 39.08           O  
-ATOM   2110  N   GLU A 257      23.153  95.957  87.632  1.00 20.66           N  
-ATOM   2111  CA  GLU A 257      23.967  97.160  87.658  1.00 21.15           C  
-ATOM   2112  C   GLU A 257      24.012  97.805  86.270  1.00 19.92           C  
-ATOM   2113  O   GLU A 257      24.110  99.022  86.147  1.00 23.33           O  
-ATOM   2114  CB  GLU A 257      25.376  96.795  88.126  1.00 20.52           C  
-ATOM   2115  CG  GLU A 257      26.337  97.945  88.216  1.00 22.87           C  
-ATOM   2116  CD  GLU A 257      27.698  97.482  88.688  1.00 24.04           C  
-ATOM   2117  OE1 GLU A 257      28.066  96.313  88.421  1.00 23.54           O  
-ATOM   2118  OE2 GLU A 257      28.382  98.273  89.352  1.00 26.34           O  
-ATOM   2119  N   ALA A 258      23.927  96.978  85.237  1.00 20.07           N  
-ATOM   2120  CA  ALA A 258      24.099  97.445  83.860  1.00 25.31           C  
-ATOM   2121  C   ALA A 258      22.839  98.102  83.320  1.00 27.00           C  
-ATOM   2122  O   ALA A 258      22.836  98.648  82.227  1.00 30.46           O  
-ATOM   2123  CB  ALA A 258      24.545  96.290  82.947  1.00 24.35           C  
-ATOM   2124  N   ASP A 259      21.778  98.064  84.119  1.00 22.54           N  
-ATOM   2125  CA  ASP A 259      20.471  98.560  83.726  1.00 24.80           C  
-ATOM   2126  C   ASP A 259      20.252  99.882  84.445  1.00 28.31           C  
-ATOM   2127  O   ASP A 259      20.702 100.043  85.575  1.00 27.24           O  
-ATOM   2128  CB  ASP A 259      19.423  97.515  84.124  1.00 22.48           C  
-ATOM   2129  CG  ASP A 259      18.014  98.012  83.977  1.00 31.75           C  
-ATOM   2130  OD1 ASP A 259      17.398  97.727  82.927  1.00 29.70           O  
-ATOM   2131  OD2 ASP A 259      17.524  98.674  84.918  1.00 24.22           O  
-ATOM   2132  N   PRO A 260      19.596 100.851  83.781  1.00 25.14           N  
-ATOM   2133  CA  PRO A 260      19.475 102.198  84.353  1.00 27.88           C  
-ATOM   2134  C   PRO A 260      18.762 102.183  85.688  1.00 18.39           C  
-ATOM   2135  O   PRO A 260      19.186 102.861  86.623  1.00 24.82           O  
-ATOM   2136  CB  PRO A 260      18.604 102.945  83.331  1.00 31.88           C  
-ATOM   2137  CG  PRO A 260      18.747 102.192  82.076  1.00 33.87           C  
-ATOM   2138  CD  PRO A 260      18.993 100.757  82.443  1.00 33.37           C  
-ATOM   2139  N   ASP A 261      17.675 101.430  85.776  1.00 21.82           N  
-ATOM   2140  CA  ASP A 261      16.921 101.379  87.024  1.00 25.09           C  
-ATOM   2141  C   ASP A 261      17.718 100.602  88.074  1.00 23.26           C  
-ATOM   2142  O   ASP A 261      17.745 100.976  89.246  1.00 23.24           O  
-ATOM   2143  CB  ASP A 261      15.563 100.721  86.803  1.00 22.43           C  
-ATOM   2144  CG  ASP A 261      14.707 101.491  85.816  1.00 31.40           C  
-ATOM   2145  OD1 ASP A 261      14.609 102.720  85.968  1.00 33.02           O  
-ATOM   2146  OD2 ASP A 261      14.182 100.873  84.874  1.00 35.52           O  
-ATOM   2147  N   GLY A 262      18.357  99.519  87.642  1.00 21.80           N  
-ATOM   2148  CA  GLY A 262      19.140  98.695  88.558  1.00 20.96           C  
-ATOM   2149  C   GLY A 262      20.268  99.516  89.153  1.00 20.52           C  
-ATOM   2150  O   GLY A 262      20.546  99.456  90.354  1.00 18.97           O  
-ATOM   2151  N   TYR A 263      20.906 100.308  88.298  1.00 18.92           N  
-ATOM   2152  CA  TYR A 263      21.983 101.200  88.724  1.00 19.64           C  
-ATOM   2153  C   TYR A 263      21.485 102.249  89.722  1.00 19.61           C  
-ATOM   2154  O   TYR A 263      22.107 102.478  90.768  1.00 21.74           O  
-ATOM   2155  CB  TYR A 263      22.637 101.895  87.522  1.00 26.31           C  
-ATOM   2156  CG  TYR A 263      23.677 102.916  87.949  1.00 25.43           C  
-ATOM   2157  CD1 TYR A 263      24.988 102.534  88.203  1.00 35.93           C  
-ATOM   2158  CD2 TYR A 263      23.334 104.251  88.135  1.00 29.64           C  
-ATOM   2159  CE1 TYR A 263      25.944 103.463  88.605  1.00 38.52           C  
-ATOM   2160  CE2 TYR A 263      24.285 105.190  88.542  1.00 34.08           C  
-ATOM   2161  CZ  TYR A 263      25.587 104.782  88.774  1.00 37.51           C  
-ATOM   2162  OH  TYR A 263      26.538 105.697  89.178  1.00 45.84           O  
-ATOM   2163  N   GLU A 264      20.366 102.890  89.408  1.00 20.63           N  
-ATOM   2164  CA  GLU A 264      19.807 103.889  90.322  1.00 19.49           C  
-ATOM   2165  C   GLU A 264      19.474 103.249  91.671  1.00 23.73           C  
-ATOM   2166  O   GLU A 264      19.713 103.842  92.726  1.00 22.43           O  
-ATOM   2167  CB  GLU A 264      18.548 104.538  89.730  1.00 21.20           C  
-ATOM   2168  CG  GLU A 264      17.869 105.537  90.687  0.71 26.51           C  
-ATOM   2169  CD  GLU A 264      16.626 106.207  90.104  0.61 32.92           C  
-ATOM   2170  OE1 GLU A 264      16.107 107.140  90.753  0.71 48.09           O  
-ATOM   2171  OE2 GLU A 264      16.163 105.809  89.011  1.00 35.76           O  
-ATOM   2172  N   PHE A 265      18.931 102.032  91.631  1.00 20.41           N  
-ATOM   2173  CA  PHE A 265      18.538 101.345  92.862  1.00 19.73           C  
-ATOM   2174  C   PHE A 265      19.768 101.011  93.692  1.00 17.24           C  
-ATOM   2175  O   PHE A 265      19.755 101.158  94.910  1.00 18.76           O  
-ATOM   2176  CB  PHE A 265      17.711 100.077  92.566  1.00 17.08           C  
-ATOM   2177  CG  PHE A 265      16.923  99.570  93.755  1.00 19.38           C  
-ATOM   2178  CD1 PHE A 265      15.996 100.387  94.395  1.00 20.37           C  
-ATOM   2179  CD2 PHE A 265      17.101  98.277  94.227  1.00 18.43           C  
-ATOM   2180  CE1 PHE A 265      15.259  99.929  95.479  1.00 20.75           C  
-ATOM   2181  CE2 PHE A 265      16.362  97.804  95.307  1.00 19.39           C  
-ATOM   2182  CZ  PHE A 265      15.438  98.633  95.935  1.00 20.86           C  
-ATOM   2183  N   LEU A 266      20.831 100.565  93.025  1.00 17.81           N  
-ATOM   2184  CA  LEU A 266      22.092 100.292  93.699  1.00 18.21           C  
-ATOM   2185  C   LEU A 266      22.606 101.548  94.413  1.00 17.99           C  
-ATOM   2186  O   LEU A 266      23.087 101.476  95.538  1.00 16.90           O  
-ATOM   2187  CB  LEU A 266      23.133  99.784  92.699  1.00 18.57           C  
-ATOM   2188  CG  LEU A 266      24.527  99.545  93.263  1.00 19.24           C  
-ATOM   2189  CD1 LEU A 266      24.473  98.553  94.421  1.00 21.26           C  
-ATOM   2190  CD2 LEU A 266      25.452  99.033  92.145  1.00 23.73           C  
-ATOM   2191  N   GLU A 267      22.498 102.705  93.770  1.00 17.98           N  
-ATOM   2192  CA  GLU A 267      22.957 103.932  94.433  1.00 21.34           C  
-ATOM   2193  C   GLU A 267      22.134 104.232  95.693  1.00 18.92           C  
-ATOM   2194  O   GLU A 267      22.666 104.692  96.708  1.00 18.75           O  
-ATOM   2195  CB  GLU A 267      22.956 105.121  93.467  1.00 23.81           C  
-ATOM   2196  CG  GLU A 267      24.024 105.000  92.376  1.00 28.21           C  
-ATOM   2197  CD  GLU A 267      25.442 104.974  92.942  1.00 30.62           C  
-ATOM   2198  OE1 GLU A 267      25.831 105.951  93.619  1.00 37.23           O  
-ATOM   2199  OE2 GLU A 267      26.162 103.974  92.728  1.00 34.52           O  
-ATOM   2200  N   ILE A 268      20.842 103.938  95.632  1.00 19.65           N  
-ATOM   2201  CA  ILE A 268      19.974 104.095  96.788  1.00 18.91           C  
-ATOM   2202  C   ILE A 268      20.370 103.136  97.902  1.00 23.02           C  
-ATOM   2203  O   ILE A 268      20.488 103.545  99.059  1.00 18.90           O  
-ATOM   2204  CB  ILE A 268      18.479 103.911  96.415  1.00 21.10           C  
-ATOM   2205  CG1 ILE A 268      18.048 105.002  95.433  1.00 24.16           C  
-ATOM   2206  CG2 ILE A 268      17.585 103.991  97.680  1.00 16.56           C  
-ATOM   2207  CD1 ILE A 268      16.735 104.696  94.716  1.00 24.26           C  
-ATOM   2208  N   LEU A 269      20.578 101.862  97.557  1.00 17.50           N  
-ATOM   2209  CA  LEU A 269      21.032 100.870  98.542  1.00 16.10           C  
-ATOM   2210  C   LEU A 269      22.337 101.311  99.200  1.00 15.39           C  
-ATOM   2211  O   LEU A 269      22.521 101.133 100.398  1.00 15.63           O  
-ATOM   2212  CB  LEU A 269      21.246  99.501  97.888  1.00 18.95           C  
-ATOM   2213  CG  LEU A 269      20.018  98.848  97.258  1.00 20.50           C  
-ATOM   2214  CD1 LEU A 269      20.449  97.600  96.462  1.00 19.12           C  
-ATOM   2215  CD2 LEU A 269      18.990  98.494  98.348  1.00 20.14           C  
-ATOM   2216  N   LYS A 270      23.253 101.865  98.418  1.00 16.36           N  
-ATOM   2217  CA  LYS A 270      24.513 102.363  98.996  1.00 17.50           C  
-ATOM   2218  C   LYS A 270      24.278 103.494  99.998  1.00 20.65           C  
-ATOM   2219  O   LYS A 270      24.935 103.554 101.036  1.00 18.51           O  
-ATOM   2220  CB  LYS A 270      25.483 102.811  97.898  1.00 17.28           C  
-ATOM   2221  CG  LYS A 270      26.042 101.620  97.074  1.00 19.65           C  
-ATOM   2222  CD  LYS A 270      26.591 102.075  95.719  1.00 26.46           C  
-ATOM   2223  CE  LYS A 270      27.698 103.072  95.897  1.00 28.51           C  
-ATOM   2224  NZ  LYS A 270      28.260 103.590  94.612  1.00 33.36           N  
-ATOM   2225  N   SER A 271      23.354 104.393  99.680  1.00 21.76           N  
-ATOM   2226  CA  SER A 271      22.949 105.438 100.635  1.00 21.89           C  
-ATOM   2227  C   SER A 271      22.362 104.844 101.924  1.00 19.96           C  
-ATOM   2228  O   SER A 271      22.676 105.290 103.028  1.00 22.82           O  
-ATOM   2229  CB  SER A 271      21.919 106.370  99.997  1.00 26.62           C  
-ATOM   2230  OG  SER A 271      22.475 107.055  98.891  1.00 34.70           O  
-ATOM   2231  N   VAL A 272      21.482 103.854 101.786  1.00 20.16           N  
-ATOM   2232  CA  VAL A 272      20.896 103.194 102.954  1.00 18.42           C  
-ATOM   2233  C   VAL A 272      22.000 102.589 103.798  1.00 21.42           C  
-ATOM   2234  O   VAL A 272      22.003 102.726 105.031  1.00 21.87           O  
-ATOM   2235  CB  VAL A 272      19.907 102.076 102.564  1.00 24.03           C  
-ATOM   2236  CG1 VAL A 272      19.515 101.250 103.799  1.00 24.50           C  
-ATOM   2237  CG2 VAL A 272      18.658 102.668 101.884  1.00 23.42           C  
-ATOM   2238  N   ALA A 273      22.947 101.930 103.127  1.00 17.81           N  
-ATOM   2239  CA  ALA A 273      24.068 101.296 103.819  1.00 18.93           C  
-ATOM   2240  C   ALA A 273      24.870 102.335 104.580  1.00 19.13           C  
-ATOM   2241  O   ALA A 273      25.178 102.168 105.763  1.00 22.21           O  
-ATOM   2242  CB  ALA A 273      24.974 100.544 102.801  1.00 21.05           C  
-ATOM   2243  N   GLN A 274      25.213 103.410 103.885  1.00 18.62           N  
-ATOM   2244  CA  GLN A 274      26.061 104.445 104.470  1.00 22.30           C  
-ATOM   2245  C   GLN A 274      25.398 105.069 105.693  1.00 27.86           C  
-ATOM   2246  O   GLN A 274      26.059 105.359 106.696  1.00 25.52           O  
-ATOM   2247  CB  GLN A 274      26.414 105.504 103.428  1.00 20.39           C  
-ATOM   2248  CG  GLN A 274      27.669 105.139 102.626  1.00 48.58           C  
-ATOM   2249  CD  GLN A 274      27.588 105.491 101.146  1.00 47.98           C  
-ATOM   2250  OE1 GLN A 274      27.046 106.536 100.762  1.00 47.20           O  
-ATOM   2251  NE2 GLN A 274      28.135 104.612 100.302  1.00 29.66           N  
-ATOM   2252  N   ASP A 275      24.080 105.217 105.637  1.00 23.23           N  
-ATOM   2253  CA  ASP A 275      23.363 105.870 106.727  1.00 22.26           C  
-ATOM   2254  C   ASP A 275      23.170 104.939 107.920  1.00 30.92           C  
-ATOM   2255  O   ASP A 275      22.789 105.373 109.001  1.00 25.86           O  
-ATOM   2256  CB  ASP A 275      22.013 106.394 106.237  1.00 27.19           C  
-ATOM   2257  CG  ASP A 275      21.424 107.432 107.182  1.00 35.30           C  
-ATOM   2258  OD1 ASP A 275      22.209 108.210 107.779  1.00 30.02           O  
-ATOM   2259  OD2 ASP A 275      20.187 107.444 107.353  1.00 44.26           O  
-ATOM   2260  N   ASN A 276      23.416 103.649 107.718  1.00 20.08           N  
-ATOM   2261  CA  ASN A 276      23.234 102.678 108.791  1.00 25.70           C  
-ATOM   2262  C   ASN A 276      24.480 101.861 109.073  1.00 26.92           C  
-ATOM   2263  O   ASN A 276      24.403 100.763 109.614  1.00 26.85           O  
-ATOM   2264  CB  ASN A 276      22.089 101.725 108.450  1.00 25.11           C  
-ATOM   2265  CG  ASN A 276      20.748 102.415 108.438  1.00 30.18           C  
-ATOM   2266  OD1 ASN A 276      20.139 102.624 109.486  1.00 31.14           O  
-ATOM   2267  ND2 ASN A 276      20.281 102.783 107.249  1.00 25.72           N  
-ATOM   2268  N   THR A 277      25.636 102.395 108.710  1.00 27.35           N  
-ATOM   2269  CA  THR A 277      26.825 101.565 108.682  1.00 29.57           C  
-ATOM   2270  C   THR A 277      27.228 101.050 110.061  1.00 36.34           C  
-ATOM   2271  O   THR A 277      27.803  99.967 110.168  1.00 29.56           O  
-ATOM   2272  CB  THR A 277      28.003 102.261 107.980  1.00 34.20           C  
-ATOM   2273  OG1 THR A 277      29.043 101.299 107.751  1.00 33.29           O  
-ATOM   2274  CG2 THR A 277      28.518 103.448 108.813  1.00 28.81           C  
-ATOM   2275  N   ASP A 278      26.895 101.794 111.116  1.00 29.50           N  
-ATOM   2276  CA  ASP A 278      27.295 101.379 112.462  1.00 39.70           C  
-ATOM   2277  C   ASP A 278      26.293 100.443 113.132  1.00 41.42           C  
-ATOM   2278  O   ASP A 278      26.521  99.956 114.247  1.00 36.05           O  
-ATOM   2279  CB  ASP A 278      27.594 102.601 113.334  0.61 41.44           C  
-ATOM   2280  CG  ASP A 278      28.848 103.334 112.883  0.76 38.30           C  
-ATOM   2281  OD1 ASP A 278      29.840 102.653 112.545  1.00 49.75           O  
-ATOM   2282  OD2 ASP A 278      28.830 104.581 112.846  0.81 48.87           O  
-ATOM   2283  N   ASN A 279      25.193 100.174 112.440  1.00 30.79           N  
-ATOM   2284  CA  ASN A 279      24.184  99.254 112.946  1.00 32.68           C  
-ATOM   2285  C   ASN A 279      24.571  97.802 112.672  1.00 37.53           C  
-ATOM   2286  O   ASN A 279      24.425  97.322 111.550  1.00 39.15           O  
-ATOM   2287  CB  ASN A 279      22.829  99.567 112.293  1.00 29.39           C  
-ATOM   2288  CG  ASN A 279      21.713  98.683 112.816  1.00 43.16           C  
-ATOM   2289  OD1 ASN A 279      21.961  97.650 113.444  1.00 39.86           O  
-ATOM   2290  ND2 ASN A 279      20.472  99.079 112.546  1.00 43.80           N  
-ATOM   2291  N   PRO A 280      25.034  97.081 113.701  1.00 34.77           N  
-ATOM   2292  CA  PRO A 280      25.574  95.740 113.464  1.00 38.37           C  
-ATOM   2293  C   PRO A 280      24.480  94.728 113.116  1.00 39.09           C  
-ATOM   2294  O   PRO A 280      24.781  93.609 112.691  1.00 41.04           O  
-ATOM   2295  CB  PRO A 280      26.189  95.386 114.815  1.00 47.00           C  
-ATOM   2296  CG  PRO A 280      25.296  96.076 115.796  1.00 42.37           C  
-ATOM   2297  CD  PRO A 280      24.895  97.373 115.138  1.00 39.53           C  
-ATOM   2298  N   ASP A 281      23.224  95.114 113.300  1.00 38.26           N  
-ATOM   2299  CA  ASP A 281      22.111  94.204 113.037  1.00 38.30           C  
-ATOM   2300  C   ASP A 281      21.654  94.263 111.581  1.00 42.74           C  
-ATOM   2301  O   ASP A 281      20.798  93.486 111.163  1.00 35.86           O  
-ATOM   2302  CB  ASP A 281      20.932  94.503 113.967  1.00 46.52           C  
-ATOM   2303  CG  ASP A 281      21.234  94.185 115.429  1.00 48.87           C  
-ATOM   2304  OD1 ASP A 281      22.097  93.317 115.702  1.00 49.31           O  
-ATOM   2305  OD2 ASP A 281      20.592  94.806 116.306  1.00 47.86           O  
-ATOM   2306  N   LEU A 282      22.227  95.180 110.809  1.00 36.00           N  
-ATOM   2307  CA  LEU A 282      21.846  95.339 109.412  1.00 25.39           C  
-ATOM   2308  C   LEU A 282      22.884  94.803 108.433  1.00 28.23           C  
-ATOM   2309  O   LEU A 282      24.028  95.260 108.409  1.00 29.20           O  
-ATOM   2310  CB  LEU A 282      21.577  96.808 109.096  1.00 26.58           C  
-ATOM   2311  CG  LEU A 282      21.195  97.069 107.642  1.00 25.50           C  
-ATOM   2312  CD1 LEU A 282      19.853  96.389 107.300  1.00 28.26           C  
-ATOM   2313  CD2 LEU A 282      21.117  98.561 107.377  1.00 27.73           C  
-ATOM   2314  N   SER A 283      22.486  93.836 107.618  1.00 27.59           N  
-ATOM   2315  CA  SER A 283      23.269  93.500 106.435  1.00 23.73           C  
-ATOM   2316  C   SER A 283      22.313  93.206 105.274  1.00 21.40           C  
-ATOM   2317  O   SER A 283      21.322  92.490 105.427  1.00 29.65           O  
-ATOM   2318  CB  SER A 283      24.231  92.322 106.680  1.00 30.45           C  
-ATOM   2319  OG  SER A 283      25.138  92.153 105.569  1.00 27.30           O  
-ATOM   2320  N   ILE A 284      22.585  93.817 104.137  1.00 13.80           N  
-ATOM   2321  CA  ILE A 284      21.762  93.640 102.981  1.00 15.54           C  
-ATOM   2322  C   ILE A 284      22.621  92.912 101.972  1.00 19.23           C  
-ATOM   2323  O   ILE A 284      23.777  93.273 101.767  1.00 16.69           O  
-ATOM   2324  CB  ILE A 284      21.359  94.989 102.404  1.00 19.32           C  
-ATOM   2325  CG1 ILE A 284      20.508  95.766 103.423  1.00 22.57           C  
-ATOM   2326  CG2 ILE A 284      20.611  94.804 101.076  1.00 16.78           C  
-ATOM   2327  CD1 ILE A 284      20.281  97.211 103.004  1.00 23.66           C  
-ATOM   2328  N   ILE A 285      22.063  91.883 101.355  1.00 15.66           N  
-ATOM   2329  CA  ILE A 285      22.761  91.188 100.281  1.00 12.36           C  
-ATOM   2330  C   ILE A 285      22.284  91.722  98.943  1.00 16.48           C  
-ATOM   2331  O   ILE A 285      21.090  91.653  98.634  1.00 15.97           O  
-ATOM   2332  CB  ILE A 285      22.519  89.684 100.319  1.00 16.56           C  
-ATOM   2333  CG1 ILE A 285      23.128  89.079 101.596  1.00 20.75           C  
-ATOM   2334  CG2 ILE A 285      23.117  89.030  99.054  1.00 17.18           C  
-ATOM   2335  CD1 ILE A 285      22.837  87.580 101.749  1.00 21.99           C  
-ATOM   2336  N   TRP A 286      23.211  92.267  98.161  1.00 13.77           N  
-ATOM   2337  CA  TRP A 286      22.888  92.699  96.821  1.00 14.68           C  
-ATOM   2338  C   TRP A 286      23.149  91.560  95.864  1.00 16.12           C  
-ATOM   2339  O   TRP A 286      24.261  91.059  95.799  1.00 13.47           O  
-ATOM   2340  CB  TRP A 286      23.762  93.879  96.408  1.00 14.49           C  
-ATOM   2341  CG  TRP A 286      23.713  94.146  94.924  1.00 16.24           C  
-ATOM   2342  CD1 TRP A 286      22.644  93.920  94.064  1.00 16.16           C  
-ATOM   2343  CD2 TRP A 286      24.772  94.657  94.117  1.00 16.30           C  
-ATOM   2344  NE1 TRP A 286      22.995  94.274  92.790  1.00 15.65           N  
-ATOM   2345  CE2 TRP A 286      24.296  94.726  92.794  1.00 17.67           C  
-ATOM   2346  CE3 TRP A 286      26.092  95.056  94.384  1.00 15.50           C  
-ATOM   2347  CZ2 TRP A 286      25.087  95.185  91.742  1.00 16.26           C  
-ATOM   2348  CZ3 TRP A 286      26.875  95.529  93.338  1.00 16.68           C  
-ATOM   2349  CH2 TRP A 286      26.365  95.589  92.031  1.00 17.04           C  
-ATOM   2350  N   ILE A 287      22.127  91.152  95.120  1.00 13.81           N  
-ATOM   2351  CA  ILE A 287      22.319  90.176  94.063  1.00 14.83           C  
-ATOM   2352  C   ILE A 287      22.097  90.826  92.720  1.00 19.27           C  
-ATOM   2353  O   ILE A 287      21.030  91.413  92.481  1.00 15.53           O  
-ATOM   2354  CB  ILE A 287      21.323  89.000  94.184  1.00 12.55           C  
-ATOM   2355  CG1 ILE A 287      21.533  88.299  95.529  1.00 15.77           C  
-ATOM   2356  CG2 ILE A 287      21.495  88.023  92.989  1.00 16.16           C  
-ATOM   2357  CD1 ILE A 287      20.512  87.182  95.806  1.00 20.08           C  
-ATOM   2358  N   ASP A 288      23.091  90.738  91.835  1.00 16.35           N  
-ATOM   2359  CA  ASP A 288      22.871  91.164  90.454  1.00 13.14           C  
-ATOM   2360  C   ASP A 288      22.458  89.935  89.663  1.00 16.29           C  
-ATOM   2361  O   ASP A 288      23.233  88.999  89.521  1.00 19.99           O  
-ATOM   2362  CB  ASP A 288      24.134  91.788  89.849  1.00 16.34           C  
-ATOM   2363  CG  ASP A 288      23.880  92.426  88.486  1.00 19.38           C  
-ATOM   2364  OD1 ASP A 288      23.026  91.913  87.730  1.00 18.11           O  
-ATOM   2365  OD2 ASP A 288      24.540  93.441  88.163  1.00 18.04           O  
-ATOM   2366  N   PRO A 289      21.215  89.916  89.163  1.00 16.55           N  
-ATOM   2367  CA  PRO A 289      20.738  88.710  88.462  1.00 15.27           C  
-ATOM   2368  C   PRO A 289      21.618  88.302  87.278  1.00 17.85           C  
-ATOM   2369  O   PRO A 289      21.654  87.132  86.910  1.00 17.90           O  
-ATOM   2370  CB  PRO A 289      19.353  89.123  87.926  1.00 22.11           C  
-ATOM   2371  CG  PRO A 289      18.977  90.366  88.629  1.00 26.18           C  
-ATOM   2372  CD  PRO A 289      20.258  91.034  89.096  1.00 15.61           C  
-ATOM   2373  N   ASP A 290      22.278  89.266  86.658  1.00 19.88           N  
-ATOM   2374  CA AASP A 290      23.123  88.952  85.514  0.49 21.72           C  
-ATOM   2375  CA BASP A 290      23.171  89.018  85.530  0.51 21.76           C  
-ATOM   2376  C   ASP A 290      24.273  88.023  85.907  1.00 21.58           C  
-ATOM   2377  O   ASP A 290      24.808  87.306  85.065  1.00 19.52           O  
-ATOM   2378  CB AASP A 290      23.659  90.226  84.851  0.49 21.34           C  
-ATOM   2379  CB BASP A 290      23.817  90.338  85.070  0.51 20.78           C  
-ATOM   2380  CG AASP A 290      24.338  89.944  83.512  0.49 25.57           C  
-ATOM   2381  CG BASP A 290      22.894  91.183  84.198  0.51 25.81           C  
-ATOM   2382  OD1AASP A 290      25.562  90.149  83.402  0.49 26.64           O  
-ATOM   2383  OD1BASP A 290      21.857  90.654  83.737  0.51 32.90           O  
-ATOM   2384  OD2AASP A 290      23.644  89.492  82.577  0.49 27.45           O  
-ATOM   2385  OD2BASP A 290      23.223  92.373  83.953  0.51 26.75           O  
-ATOM   2386  N   ASP A 291      24.633  88.009  87.185  1.00 17.98           N  
-ATOM   2387  CA  ASP A 291      25.722  87.155  87.669  1.00 20.76           C  
-ATOM   2388  C   ASP A 291      25.322  85.691  87.843  1.00 20.30           C  
-ATOM   2389  O   ASP A 291      26.200  84.817  87.999  1.00 16.55           O  
-ATOM   2390  CB  ASP A 291      26.281  87.667  89.011  1.00 17.35           C  
-ATOM   2391  CG  ASP A 291      27.050  88.979  88.875  1.00 25.85           C  
-ATOM   2392  OD1 ASP A 291      27.508  89.298  87.766  1.00 22.28           O  
-ATOM   2393  OD2 ASP A 291      27.183  89.700  89.884  1.00 20.94           O  
-ATOM   2394  N   PHE A 292      24.011  85.432  87.864  1.00 19.08           N  
-ATOM   2395  CA  PHE A 292      23.504  84.098  88.190  1.00 16.42           C  
-ATOM   2396  C   PHE A 292      22.386  83.674  87.241  1.00 20.17           C  
-ATOM   2397  O   PHE A 292      21.260  83.440  87.678  1.00 16.31           O  
-ATOM   2398  CB  PHE A 292      22.983  84.059  89.634  1.00 17.13           C  
-ATOM   2399  CG  PHE A 292      24.039  84.319  90.676  1.00 17.42           C  
-ATOM   2400  CD1 PHE A 292      24.785  83.270  91.194  1.00 15.26           C  
-ATOM   2401  CD2 PHE A 292      24.265  85.611  91.159  1.00 17.64           C  
-ATOM   2402  CE1 PHE A 292      25.759  83.500  92.178  1.00 22.13           C  
-ATOM   2403  CE2 PHE A 292      25.229  85.845  92.137  1.00 19.59           C  
-ATOM   2404  CZ  PHE A 292      25.979  84.776  92.640  1.00 18.04           C  
-ATOM   2405  N   PRO A 293      22.699  83.562  85.936  1.00 20.46           N  
-ATOM   2406  CA  PRO A 293      21.673  83.285  84.929  1.00 22.01           C  
-ATOM   2407  C   PRO A 293      20.906  82.001  85.193  1.00 23.34           C  
-ATOM   2408  O   PRO A 293      19.723  81.958  84.862  1.00 21.76           O  
-ATOM   2409  CB  PRO A 293      22.470  83.170  83.619  1.00 23.20           C  
-ATOM   2410  CG  PRO A 293      23.891  82.893  84.039  1.00 24.22           C  
-ATOM   2411  CD  PRO A 293      24.054  83.609  85.356  1.00 21.97           C  
-ATOM   2412  N   LEU A 294      21.554  81.001  85.782  1.00 19.53           N  
-ATOM   2413  CA  LEU A 294      20.929  79.701  86.038  1.00 19.89           C  
-ATOM   2414  C   LEU A 294      19.953  79.690  87.218  1.00 22.09           C  
-ATOM   2415  O   LEU A 294      19.169  78.752  87.362  1.00 24.07           O  
-ATOM   2416  CB  LEU A 294      21.985  78.607  86.210  1.00 19.88           C  
-ATOM   2417  CG  LEU A 294      22.908  78.419  84.997  1.00 22.19           C  
-ATOM   2418  CD1 LEU A 294      23.878  77.275  85.253  1.00 24.47           C  
-ATOM   2419  CD2 LEU A 294      22.079  78.153  83.746  1.00 18.43           C  
-ATOM   2420  N   LEU A 295      19.973  80.745  88.030  1.00 16.27           N  
-ATOM   2421  CA  LEU A 295      19.078  80.848  89.185  1.00 16.02           C  
-ATOM   2422  C   LEU A 295      17.908  81.807  88.967  1.00 18.04           C  
-ATOM   2423  O   LEU A 295      16.977  81.870  89.768  1.00 17.41           O  
-ATOM   2424  CB  LEU A 295      19.865  81.287  90.441  1.00 15.90           C  
-ATOM   2425  CG  LEU A 295      20.770  80.205  91.041  1.00 20.33           C  
-ATOM   2426  CD1 LEU A 295      21.674  80.735  92.170  1.00 18.35           C  
-ATOM   2427  CD2 LEU A 295      19.928  79.058  91.550  1.00 18.44           C  
-ATOM   2428  N   VAL A 296      17.945  82.582  87.899  1.00 15.64           N  
-ATOM   2429  CA  VAL A 296      16.883  83.568  87.707  1.00 15.90           C  
-ATOM   2430  C   VAL A 296      15.488  82.928  87.605  1.00 19.17           C  
-ATOM   2431  O   VAL A 296      14.554  83.397  88.240  1.00 18.09           O  
-ATOM   2432  CB  VAL A 296      17.183  84.529  86.524  1.00 18.16           C  
-ATOM   2433  CG1 VAL A 296      15.959  85.368  86.183  1.00 17.51           C  
-ATOM   2434  CG2 VAL A 296      18.361  85.442  86.877  1.00 17.76           C  
-ATOM   2435  N   PRO A 297      15.332  81.845  86.823  1.00 21.99           N  
-ATOM   2436  CA  PRO A 297      13.978  81.254  86.795  1.00 21.23           C  
-ATOM   2437  C   PRO A 297      13.526  80.802  88.183  1.00 17.84           C  
-ATOM   2438  O   PRO A 297      12.399  81.047  88.592  1.00 19.55           O  
-ATOM   2439  CB  PRO A 297      14.144  80.050  85.848  1.00 20.42           C  
-ATOM   2440  CG  PRO A 297      15.207  80.528  84.876  1.00 21.62           C  
-ATOM   2441  CD  PRO A 297      16.210  81.265  85.792  1.00 18.80           C  
-ATOM   2442  N   TYR A 298      14.412  80.141  88.913  1.00 16.69           N  
-ATOM   2443  CA  TYR A 298      14.100  79.728  90.265  1.00 17.11           C  
-ATOM   2444  C   TYR A 298      13.690  80.912  91.168  1.00 22.04           C  
-ATOM   2445  O   TYR A 298      12.697  80.834  91.907  1.00 19.65           O  
-ATOM   2446  CB  TYR A 298      15.295  78.996  90.857  1.00 20.74           C  
-ATOM   2447  CG  TYR A 298      15.196  78.794  92.346  1.00 25.04           C  
-ATOM   2448  CD1 TYR A 298      14.479  77.726  92.881  1.00 27.19           C  
-ATOM   2449  CD2 TYR A 298      15.829  79.672  93.225  1.00 24.61           C  
-ATOM   2450  CE1 TYR A 298      14.392  77.544  94.246  1.00 27.70           C  
-ATOM   2451  CE2 TYR A 298      15.750  79.493  94.578  1.00 25.24           C  
-ATOM   2452  CZ  TYR A 298      15.033  78.433  95.086  1.00 29.82           C  
-ATOM   2453  OH  TYR A 298      14.969  78.270  96.447  1.00 39.70           O  
-ATOM   2454  N   TRP A 299      14.447  82.007  91.113  1.00 21.40           N  
-ATOM   2455  CA  TRP A 299      14.139  83.175  91.948  1.00 16.88           C  
-ATOM   2456  C   TRP A 299      12.789  83.783  91.580  1.00 21.14           C  
-ATOM   2457  O   TRP A 299      11.956  84.099  92.447  1.00 19.43           O  
-ATOM   2458  CB  TRP A 299      15.239  84.229  91.811  1.00 16.51           C  
-ATOM   2459  CG  TRP A 299      16.494  83.875  92.571  1.00 19.69           C  
-ATOM   2460  CD1 TRP A 299      16.588  83.141  93.731  1.00 16.70           C  
-ATOM   2461  CD2 TRP A 299      17.827  84.232  92.209  1.00 15.78           C  
-ATOM   2462  NE1 TRP A 299      17.917  83.033  94.109  1.00 20.88           N  
-ATOM   2463  CE2 TRP A 299      18.690  83.699  93.190  1.00 22.75           C  
-ATOM   2464  CE3 TRP A 299      18.375  84.955  91.148  1.00 17.32           C  
-ATOM   2465  CZ2 TRP A 299      20.084  83.872  93.133  1.00 15.94           C  
-ATOM   2466  CZ3 TRP A 299      19.749  85.119  91.093  1.00 17.62           C  
-ATOM   2467  CH2 TRP A 299      20.582  84.590  92.081  1.00 13.04           C  
-ATOM   2468  N   GLU A 300      12.571  83.940  90.286  1.00 19.18           N  
-ATOM   2469  CA  GLU A 300      11.319  84.528  89.832  1.00 19.77           C  
-ATOM   2470  C   GLU A 300      10.120  83.662  90.258  1.00 20.72           C  
-ATOM   2471  O   GLU A 300       9.111  84.186  90.726  1.00 21.72           O  
-ATOM   2472  CB  GLU A 300      11.368  84.800  88.324  1.00 19.13           C  
-ATOM   2473  CG  GLU A 300      12.231  86.014  87.990  1.00 20.09           C  
-ATOM   2474  CD  GLU A 300      12.224  86.386  86.523  1.00 22.83           C  
-ATOM   2475  OE1 GLU A 300      11.951  85.504  85.680  1.00 27.78           O  
-ATOM   2476  OE2 GLU A 300      12.514  87.556  86.206  1.00 24.51           O  
-ATOM   2477  N   LYS A 301      10.252  82.347  90.140  1.00 21.86           N  
-ATOM   2478  CA  LYS A 301       9.188  81.435  90.559  1.00 27.21           C  
-ATOM   2479  C   LYS A 301       9.009  81.416  92.073  1.00 24.04           C  
-ATOM   2480  O   LYS A 301       7.899  81.534  92.580  1.00 24.91           O  
-ATOM   2481  CB  LYS A 301       9.471  80.016  90.059  1.00 28.88           C  
-ATOM   2482  CG  LYS A 301       8.458  78.965  90.521  1.00 35.83           C  
-ATOM   2483  CD  LYS A 301       8.807  77.586  89.964  1.00 40.78           C  
-ATOM   2484  CE  LYS A 301       7.874  76.495  90.492  1.00 42.50           C  
-ATOM   2485  NZ  LYS A 301       8.284  75.143  90.011  1.00 44.05           N  
-ATOM   2486  N   THR A 302      10.112  81.288  92.797  1.00 21.06           N  
-ATOM   2487  CA  THR A 302      10.077  81.133  94.243  1.00 22.37           C  
-ATOM   2488  C   THR A 302       9.614  82.394  94.979  1.00 27.92           C  
-ATOM   2489  O   THR A 302       8.831  82.324  95.931  1.00 24.12           O  
-ATOM   2490  CB  THR A 302      11.474  80.725  94.768  1.00 24.71           C  
-ATOM   2491  OG1 THR A 302      11.888  79.524  94.113  1.00 27.25           O  
-ATOM   2492  CG2 THR A 302      11.449  80.487  96.263  1.00 26.01           C  
-ATOM   2493  N   PHE A 303      10.100  83.545  94.530  1.00 21.62           N  
-ATOM   2494  CA  PHE A 303       9.800  84.818  95.178  1.00 22.90           C  
-ATOM   2495  C   PHE A 303       8.624  85.533  94.510  1.00 22.64           C  
-ATOM   2496  O   PHE A 303       8.143  86.538  95.016  1.00 23.29           O  
-ATOM   2497  CB  PHE A 303      11.041  85.734  95.149  1.00 21.18           C  
-ATOM   2498  CG  PHE A 303      12.225  85.181  95.895  1.00 18.93           C  
-ATOM   2499  CD1 PHE A 303      12.050  84.425  97.046  1.00 24.11           C  
-ATOM   2500  CD2 PHE A 303      13.517  85.403  95.439  1.00 19.98           C  
-ATOM   2501  CE1 PHE A 303      13.149  83.909  97.734  1.00 26.48           C  
-ATOM   2502  CE2 PHE A 303      14.614  84.894  96.118  1.00 20.32           C  
-ATOM   2503  CZ  PHE A 303      14.435  84.143  97.265  1.00 21.39           C  
-ATOM   2504  N   ASP A 304       8.198  85.030  93.354  1.00 23.99           N  
-ATOM   2505  CA  ASP A 304       7.111  85.651  92.600  1.00 22.96           C  
-ATOM   2506  C   ASP A 304       7.424  87.118  92.278  1.00 29.26           C  
-ATOM   2507  O   ASP A 304       6.637  88.016  92.569  1.00 27.88           O  
-ATOM   2508  CB  ASP A 304       5.790  85.528  93.383  1.00 27.94           C  
-ATOM   2509  CG  ASP A 304       4.568  85.847  92.538  1.00 38.67           C  
-ATOM   2510  OD1 ASP A 304       3.535  86.251  93.121  1.00 43.06           O  
-ATOM   2511  OD2 ASP A 304       4.633  85.701  91.297  1.00 36.36           O  
-ATOM   2512  N   ILE A 305       8.577  87.358  91.666  1.00 19.43           N  
-ATOM   2513  CA  ILE A 305       8.968  88.708  91.296  1.00 18.75           C  
-ATOM   2514  C   ILE A 305       9.519  88.723  89.879  1.00 19.99           C  
-ATOM   2515  O   ILE A 305       9.874  87.684  89.339  1.00 23.09           O  
-ATOM   2516  CB  ILE A 305      10.035  89.278  92.288  1.00 21.58           C  
-ATOM   2517  CG1 ILE A 305      11.225  88.325  92.407  1.00 22.57           C  
-ATOM   2518  CG2 ILE A 305       9.409  89.507  93.658  1.00 23.54           C  
-ATOM   2519  CD1 ILE A 305      12.285  88.787  93.449  1.00 20.18           C  
-ATOM   2520  N   ASP A 306       9.562  89.903  89.274  1.00 21.26           N  
-ATOM   2521  CA  ASP A 306      10.112  90.068  87.938  1.00 23.19           C  
-ATOM   2522  C   ASP A 306      11.514  90.638  88.083  1.00 21.34           C  
-ATOM   2523  O   ASP A 306      11.665  91.787  88.459  1.00 19.83           O  
-ATOM   2524  CB  ASP A 306       9.237  91.040  87.158  1.00 28.14           C  
-ATOM   2525  CG  ASP A 306       9.736  91.291  85.754  1.00 35.76           C  
-ATOM   2526  OD1 ASP A 306      10.882  90.893  85.418  1.00 23.85           O  
-ATOM   2527  OD2 ASP A 306       8.963  91.911  84.986  1.00 36.99           O  
-ATOM   2528  N   LEU A 307      12.533  89.834  87.790  1.00 20.27           N  
-ATOM   2529  CA  LEU A 307      13.912  90.263  88.004  1.00 20.91           C  
-ATOM   2530  C   LEU A 307      14.422  91.190  86.908  1.00 22.36           C  
-ATOM   2531  O   LEU A 307      15.575  91.596  86.918  1.00 24.25           O  
-ATOM   2532  CB  LEU A 307      14.865  89.068  88.209  1.00 19.43           C  
-ATOM   2533  CG  LEU A 307      14.693  88.344  89.551  1.00 19.02           C  
-ATOM   2534  CD1 LEU A 307      15.851  87.382  89.848  1.00 21.89           C  
-ATOM   2535  CD2 LEU A 307      14.558  89.342  90.667  1.00 21.65           C  
-ATOM   2536  N   SER A 308      13.571  91.555  85.965  1.00 21.69           N  
-ATOM   2537  CA  SER A 308      13.971  92.635  85.080  1.00 27.65           C  
-ATOM   2538  C   SER A 308      13.746  94.001  85.754  1.00 23.77           C  
-ATOM   2539  O   SER A 308      14.090  95.042  85.186  1.00 25.48           O  
-ATOM   2540  CB  SER A 308      13.252  92.538  83.732  1.00 34.49           C  
-ATOM   2541  OG  SER A 308      11.902  92.914  83.879  1.00 33.57           O  
-ATOM   2542  N   ALA A 309      13.186  94.000  86.968  1.00 18.02           N  
-ATOM   2543  CA  ALA A 309      13.050  95.236  87.752  1.00 18.85           C  
-ATOM   2544  C   ALA A 309      13.812  95.088  89.062  1.00 18.16           C  
-ATOM   2545  O   ALA A 309      13.929  93.993  89.559  1.00 19.06           O  
-ATOM   2546  CB  ALA A 309      11.580  95.518  88.069  1.00 19.19           C  
-ATOM   2547  N   PRO A 310      14.290  96.205  89.635  1.00 19.12           N  
-ATOM   2548  CA  PRO A 310      14.915  96.160  90.965  1.00 22.44           C  
-ATOM   2549  C   PRO A 310      13.912  95.620  91.979  1.00 20.34           C  
-ATOM   2550  O   PRO A 310      12.703  95.826  91.803  1.00 19.26           O  
-ATOM   2551  CB  PRO A 310      15.202  97.639  91.266  1.00 23.47           C  
-ATOM   2552  CG  PRO A 310      15.261  98.299  89.911  1.00 24.62           C  
-ATOM   2553  CD  PRO A 310      14.216  97.576  89.106  1.00 23.39           C  
-ATOM   2554  N   GLN A 311      14.387  94.940  93.014  1.00 16.04           N  
-ATOM   2555  CA  GLN A 311      13.495  94.405  94.030  1.00 16.48           C  
-ATOM   2556  C   GLN A 311      14.205  94.495  95.367  1.00 21.99           C  
-ATOM   2557  O   GLN A 311      15.430  94.466  95.417  1.00 18.55           O  
-ATOM   2558  CB  GLN A 311      13.175  92.929  93.744  1.00 19.81           C  
-ATOM   2559  CG  GLN A 311      12.676  92.632  92.338  1.00 16.51           C  
-ATOM   2560  CD  GLN A 311      11.224  93.018  92.151  1.00 22.73           C  
-ATOM   2561  OE1 GLN A 311      10.528  93.332  93.119  1.00 23.10           O  
-ATOM   2562  NE2 GLN A 311      10.759  93.002  90.902  1.00 18.51           N  
-ATOM   2563  N   ILE A 312      13.454  94.598  96.460  1.00 17.04           N  
-ATOM   2564  CA  ILE A 312      14.070  94.428  97.767  1.00 12.78           C  
-ATOM   2565  C   ILE A 312      13.086  93.692  98.647  1.00 20.08           C  
-ATOM   2566  O   ILE A 312      11.866  93.917  98.572  1.00 17.47           O  
-ATOM   2567  CB  ILE A 312      14.519  95.762  98.402  1.00 12.72           C  
-ATOM   2568  CG1 ILE A 312      15.325  95.480  99.674  1.00 18.68           C  
-ATOM   2569  CG2 ILE A 312      13.302  96.666  98.693  1.00 17.90           C  
-ATOM   2570  CD1 ILE A 312      15.988  96.680 100.279  1.00 18.57           C  
-ATOM   2571  N   GLY A 313      13.598  92.773  99.448  1.00 16.26           N  
-ATOM   2572  CA  GLY A 313      12.716  91.926 100.216  1.00 18.12           C  
-ATOM   2573  C   GLY A 313      13.410  91.345 101.416  1.00 17.98           C  
-ATOM   2574  O   GLY A 313      14.591  91.601 101.656  1.00 17.75           O  
-ATOM   2575  N   VAL A 314      12.660  90.545 102.161  1.00 18.51           N  
-ATOM   2576  CA  VAL A 314      13.193  89.834 103.298  1.00 19.17           C  
-ATOM   2577  C   VAL A 314      12.900  88.360 103.090  1.00 22.22           C  
-ATOM   2578  O   VAL A 314      11.773  87.993 102.769  1.00 20.46           O  
-ATOM   2579  CB  VAL A 314      12.569  90.337 104.605  1.00 23.72           C  
-ATOM   2580  CG1 VAL A 314      13.117  89.549 105.768  1.00 21.59           C  
-ATOM   2581  CG2 VAL A 314      12.863  91.820 104.782  1.00 20.28           C  
-ATOM   2582  N   VAL A 315      13.923  87.525 103.252  1.00 18.62           N  
-ATOM   2583  CA  VAL A 315      13.827  86.100 102.959  1.00 18.25           C  
-ATOM   2584  C   VAL A 315      14.111  85.267 104.206  1.00 29.62           C  
-ATOM   2585  O   VAL A 315      15.112  85.480 104.878  1.00 21.90           O  
-ATOM   2586  CB  VAL A 315      14.849  85.702 101.840  1.00 22.19           C  
-ATOM   2587  CG1 VAL A 315      14.773  84.211 101.545  1.00 21.68           C  
-ATOM   2588  CG2 VAL A 315      14.600  86.528 100.565  1.00 21.75           C  
-ATOM   2589  N   ASN A 316      13.220  84.324 104.510  1.00 24.18           N  
-ATOM   2590  CA  ASN A 316      13.421  83.357 105.587  1.00 26.51           C  
-ATOM   2591  C   ASN A 316      14.335  82.218 105.105  1.00 22.19           C  
-ATOM   2592  O   ASN A 316      13.990  81.491 104.172  1.00 25.02           O  
-ATOM   2593  CB  ASN A 316      12.041  82.812 106.009  1.00 26.43           C  
-ATOM   2594  CG  ASN A 316      12.102  81.877 107.208  1.00 36.30           C  
-ATOM   2595  OD1 ASN A 316      13.088  81.168 107.409  1.00 31.07           O  
-ATOM   2596  ND2 ASN A 316      11.019  81.863 108.008  1.00 32.33           N  
-ATOM   2597  N   VAL A 317      15.511  82.074 105.718  1.00 26.48           N  
-ATOM   2598  CA  VAL A 317      16.482  81.098 105.225  1.00 27.56           C  
-ATOM   2599  C   VAL A 317      16.068  79.648 105.453  1.00 30.58           C  
-ATOM   2600  O   VAL A 317      16.578  78.743 104.790  1.00 29.84           O  
-ATOM   2601  CB  VAL A 317      17.903  81.316 105.803  1.00 26.11           C  
-ATOM   2602  CG1 VAL A 317      18.383  82.724 105.506  1.00 21.84           C  
-ATOM   2603  CG2 VAL A 317      17.930  81.020 107.295  1.00 31.78           C  
-ATOM   2604  N   THR A 318      15.145  79.416 106.380  1.00 27.50           N  
-ATOM   2605  CA  THR A 318      14.706  78.040 106.637  1.00 29.06           C  
-ATOM   2606  C   THR A 318      13.903  77.439 105.484  1.00 32.51           C  
-ATOM   2607  O   THR A 318      14.128  76.287 105.108  1.00 31.24           O  
-ATOM   2608  CB  THR A 318      13.870  77.938 107.924  1.00 34.90           C  
-ATOM   2609  OG1 THR A 318      14.574  78.568 108.999  1.00 29.65           O  
-ATOM   2610  CG2 THR A 318      13.595  76.472 108.262  1.00 33.92           C  
-ATOM   2611  N   ASP A 319      12.984  78.225 104.920  1.00 29.19           N  
-ATOM   2612  CA  ASP A 319      12.024  77.730 103.930  1.00 31.93           C  
-ATOM   2613  C   ASP A 319      11.893  78.606 102.682  1.00 31.00           C  
-ATOM   2614  O   ASP A 319      11.068  78.337 101.811  1.00 30.31           O  
-ATOM   2615  CB  ASP A 319      10.642  77.580 104.577  1.00 37.00           C  
-ATOM   2616  CG  ASP A 319      10.085  78.903 105.096  1.00 42.74           C  
-ATOM   2617  OD1 ASP A 319      10.772  79.946 105.002  1.00 34.33           O  
-ATOM   2618  OD2 ASP A 319       8.956  78.891 105.624  1.00 36.80           O  
-ATOM   2619  N   ALA A 320      12.693  79.661 102.605  1.00 28.10           N  
-ATOM   2620  CA  ALA A 320      12.663  80.550 101.444  1.00 26.05           C  
-ATOM   2621  C   ALA A 320      11.384  81.371 101.357  1.00 23.78           C  
-ATOM   2622  O   ALA A 320      11.107  81.963 100.317  1.00 26.05           O  
-ATOM   2623  CB  ALA A 320      12.871  79.763 100.146  1.00 24.28           C  
-ATOM   2624  N   ASP A 321      10.591  81.381 102.425  1.00 25.29           N  
-ATOM   2625  CA  ASP A 321       9.438  82.276 102.494  1.00 27.76           C  
-ATOM   2626  C   ASP A 321       9.989  83.696 102.435  1.00 29.70           C  
-ATOM   2627  O   ASP A 321      11.113  83.934 102.866  1.00 25.23           O  
-ATOM   2628  CB  ASP A 321       8.668  82.083 103.800  1.00 28.40           C  
-ATOM   2629  CG  ASP A 321       7.289  82.743 103.770  1.00 33.63           C  
-ATOM   2630  OD1 ASP A 321       6.786  83.050 102.664  1.00 32.53           O  
-ATOM   2631  OD2 ASP A 321       6.715  82.961 104.854  1.00 40.79           O  
-ATOM   2632  N   SER A 322       9.214  84.635 101.906  1.00 27.17           N  
-ATOM   2633  CA  SER A 322       9.748  85.973 101.656  1.00 23.66           C  
-ATOM   2634  C   SER A 322       8.646  86.997 101.481  1.00 26.56           C  
-ATOM   2635  O   SER A 322       7.505  86.653 101.190  1.00 24.72           O  
-ATOM   2636  CB  SER A 322      10.606  85.978 100.384  1.00 22.04           C  
-ATOM   2637  OG  SER A 322       9.820  85.748  99.220  1.00 21.19           O  
-ATOM   2638  N   VAL A 323       9.006  88.264 101.628  1.00 19.45           N  
-ATOM   2639  CA  VAL A 323       8.087  89.354 101.318  1.00 20.26           C  
-ATOM   2640  C   VAL A 323       8.887  90.405 100.569  1.00 23.00           C  
-ATOM   2641  O   VAL A 323      10.065  90.646 100.895  1.00 20.07           O  
-ATOM   2642  CB  VAL A 323       7.454  89.958 102.591  1.00 21.37           C  
-ATOM   2643  CG1 VAL A 323       8.529  90.440 103.537  1.00 22.64           C  
-ATOM   2644  CG2 VAL A 323       6.534  91.108 102.234  1.00 26.00           C  
-ATOM   2645  N   TRP A 324       8.259  91.013  99.567  1.00 16.06           N  
-ATOM   2646  CA  TRP A 324       8.945  91.931  98.664  1.00 20.78           C  
-ATOM   2647  C   TRP A 324       8.226  93.255  98.595  1.00 19.24           C  
-ATOM   2648  O   TRP A 324       6.997  93.301  98.583  1.00 21.39           O  
-ATOM   2649  CB  TRP A 324       9.099  91.310  97.262  1.00 19.33           C  
-ATOM   2650  CG  TRP A 324       9.910  90.092  97.359  1.00 23.10           C  
-ATOM   2651  CD1 TRP A 324       9.467  88.832  97.629  1.00 21.89           C  
-ATOM   2652  CD2 TRP A 324      11.338  90.011  97.277  1.00 18.10           C  
-ATOM   2653  NE1 TRP A 324      10.527  87.968  97.697  1.00 20.89           N  
-ATOM   2654  CE2 TRP A 324      11.688  88.668  97.495  1.00 20.02           C  
-ATOM   2655  CE3 TRP A 324      12.350  90.943  97.037  1.00 16.83           C  
-ATOM   2656  CZ2 TRP A 324      13.008  88.232  97.479  1.00 20.16           C  
-ATOM   2657  CZ3 TRP A 324      13.666  90.502  97.013  1.00 19.68           C  
-ATOM   2658  CH2 TRP A 324      13.984  89.164  97.246  1.00 17.54           C  
-ATOM   2659  N   MET A 325       9.000  94.331  98.541  1.00 16.05           N  
-ATOM   2660  CA  MET A 325       8.449  95.678  98.542  1.00 19.05           C  
-ATOM   2661  C   MET A 325       7.783  96.003  97.207  1.00 25.17           C  
-ATOM   2662  O   MET A 325       8.380  95.836  96.138  1.00 21.34           O  
-ATOM   2663  CB  MET A 325       9.548  96.695  98.829  1.00 18.34           C  
-ATOM   2664  CG  MET A 325       9.035  98.104  99.033  1.00 22.26           C  
-ATOM   2665  SD  MET A 325      10.388  99.262  99.277  1.00 24.74           S  
-ATOM   2666  CE  MET A 325       9.443 100.761  99.570  1.00 24.90           C  
-ATOM   2667  N   GLU A 326       6.540  96.468  97.270  1.00 19.08           N  
-ATOM   2668  CA  GLU A 326       5.855  96.903  96.059  1.00 21.93           C  
-ATOM   2669  C   GLU A 326       6.440  98.220  95.561  1.00 24.05           C  
-ATOM   2670  O   GLU A 326       6.484  99.212  96.288  1.00 25.48           O  
-ATOM   2671  CB  GLU A 326       4.357  97.070  96.329  1.00 29.84           C  
-ATOM   2672  CG  GLU A 326       3.616  97.738  95.187  1.00 31.63           C  
-ATOM   2673  CD  GLU A 326       3.663  96.918  93.911  1.00 39.36           C  
-ATOM   2674  OE1 GLU A 326       3.776  95.675  94.004  1.00 44.61           O  
-ATOM   2675  OE2 GLU A 326       3.596  97.522  92.817  1.00 50.57           O  
-ATOM   2676  N   MET A 327       6.906  98.215  94.321  1.00 23.67           N  
-ATOM   2677  CA  MET A 327       7.396  99.423  93.674  1.00 30.43           C  
-ATOM   2678  C   MET A 327       6.759  99.572  92.292  1.00 38.53           C  
-ATOM   2679  O   MET A 327       6.841  98.678  91.447  1.00 46.30           O  
-ATOM   2680  CB  MET A 327       8.919  99.393  93.558  1.00 34.21           C  
-ATOM   2681  CG  MET A 327       9.641  99.355  94.892  1.00 28.10           C  
-ATOM   2682  SD  MET A 327      11.451  99.403  94.714  1.00 36.88           S  
-ATOM   2683  CE  MET A 327      11.860  97.686  94.468  1.00 30.23           C  
-ATOM   2684  N   ASP A 328       6.113 100.708  92.081  1.00 37.86           N  
-ATOM   2685  CA  ASP A 328       5.442 101.016  90.830  1.00 34.80           C  
-ATOM   2686  C   ASP A 328       6.460 101.531  89.824  1.00 35.06           C  
-ATOM   2687  O   ASP A 328       7.059 102.580  90.034  1.00 35.99           O  
-ATOM   2688  CB  ASP A 328       4.391 102.092  91.097  1.00 44.31           C  
-ATOM   2689  CG  ASP A 328       3.643 102.504  89.851  1.00 58.16           C  
-ATOM   2690  OD1 ASP A 328       2.880 103.492  89.931  1.00 61.91           O  
-ATOM   2691  OD2 ASP A 328       3.824 101.850  88.799  1.00 55.56           O  
-ATOM   2692  N   ASP A 329       6.656 100.806  88.727  1.00 38.54           N  
-ATOM   2693  CA  ASP A 329       7.718 101.174  87.790  1.00 50.11           C  
-ATOM   2694  C   ASP A 329       7.353 102.355  86.894  1.00 57.16           C  
-ATOM   2695  O   ASP A 329       8.152 102.761  86.048  1.00 51.24           O  
-ATOM   2696  CB  ASP A 329       8.174  99.977  86.952  1.00 55.60           C  
-ATOM   2697  CG  ASP A 329       7.073  99.421  86.090  1.00 67.53           C  
-ATOM   2698  OD1 ASP A 329       6.342  98.524  86.568  1.00 76.67           O  
-ATOM   2699  OD2 ASP A 329       6.938  99.883  84.938  1.00 66.81           O  
-ATOM   2700  N   GLU A 330       6.152 102.904  87.083  1.00 39.16           N  
-ATOM   2701  CA  GLU A 330       5.765 104.130  86.389  1.00 48.62           C  
-ATOM   2702  C   GLU A 330       6.063 105.358  87.238  1.00 54.74           C  
-ATOM   2703  O   GLU A 330       5.796 106.487  86.828  1.00 56.31           O  
-ATOM   2704  CB  GLU A 330       4.287 104.109  86.000  1.00 50.03           C  
-ATOM   2705  CG  GLU A 330       3.950 103.124  84.887  1.00 52.01           C  
-ATOM   2706  CD  GLU A 330       2.488 103.186  84.477  1.00 70.81           C  
-ATOM   2707  OE1 GLU A 330       1.679 103.774  85.230  1.00 70.48           O  
-ATOM   2708  OE2 GLU A 330       2.150 102.652  83.400  1.00 67.56           O  
-ATOM   2709  N   GLU A 331       6.610 105.139  88.429  1.00 47.08           N  
-ATOM   2710  CA  GLU A 331       7.074 106.255  89.242  1.00 46.92           C  
-ATOM   2711  C   GLU A 331       8.537 106.078  89.660  1.00 48.77           C  
-ATOM   2712  O   GLU A 331       9.146 105.039  89.390  1.00 43.74           O  
-ATOM   2713  CB  GLU A 331       6.153 106.502  90.441  1.00 48.36           C  
-ATOM   2714  CG  GLU A 331       5.997 105.343  91.414  1.00 55.20           C  
-ATOM   2715  CD  GLU A 331       5.040 105.682  92.556  1.00 69.93           C  
-ATOM   2716  OE1 GLU A 331       5.103 105.025  93.623  1.00 63.33           O  
-ATOM   2717  OE2 GLU A 331       4.224 106.617  92.383  1.00 71.61           O  
-ATOM   2718  N   ASP A 332       9.104 107.102  90.293  1.00 39.37           N  
-ATOM   2719  CA  ASP A 332      10.503 107.047  90.701  1.00 45.61           C  
-ATOM   2720  C   ASP A 332      10.706 105.922  91.702  1.00 38.14           C  
-ATOM   2721  O   ASP A 332       9.780 105.551  92.412  1.00 30.67           O  
-ATOM   2722  CB  ASP A 332      10.936 108.376  91.322  1.00 45.05           C  
-ATOM   2723  CG  ASP A 332      10.774 109.544  90.367  1.00 59.30           C  
-ATOM   2724  OD1 ASP A 332      10.603 109.298  89.153  1.00 58.76           O  
-ATOM   2725  OD2 ASP A 332      10.824 110.704  90.830  1.00 55.07           O  
-ATOM   2726  N   LEU A 333      11.922 105.389  91.769  1.00 30.40           N  
-ATOM   2727  CA  LEU A 333      12.240 104.385  92.770  1.00 27.08           C  
-ATOM   2728  C   LEU A 333      12.108 104.983  94.174  1.00 25.49           C  
-ATOM   2729  O   LEU A 333      12.298 106.182  94.359  1.00 29.35           O  
-ATOM   2730  CB  LEU A 333      13.662 103.860  92.531  1.00 25.95           C  
-ATOM   2731  CG  LEU A 333      13.771 102.983  91.278  1.00 29.36           C  
-ATOM   2732  CD1 LEU A 333      15.226 102.717  90.885  1.00 32.06           C  
-ATOM   2733  CD2 LEU A 333      13.029 101.675  91.513  1.00 28.53           C  
-ATOM   2734  N   PRO A 334      11.788 104.147  95.172  1.00 23.33           N  
-ATOM   2735  CA  PRO A 334      11.682 104.657  96.543  1.00 27.03           C  
-ATOM   2736  C   PRO A 334      12.997 105.302  96.972  1.00 28.14           C  
-ATOM   2737  O   PRO A 334      14.059 104.861  96.540  1.00 25.71           O  
-ATOM   2738  CB  PRO A 334      11.413 103.397  97.371  1.00 33.92           C  
-ATOM   2739  CG  PRO A 334      10.867 102.404  96.404  1.00 38.93           C  
-ATOM   2740  CD  PRO A 334      11.534 102.701  95.091  1.00 29.43           C  
-ATOM   2741  N   SER A 335      12.918 106.336  97.799  1.00 29.63           N  
-ATOM   2742  CA  SER A 335      14.105 106.997  98.314  1.00 28.84           C  
-ATOM   2743  C   SER A 335      14.691 106.097  99.382  1.00 25.99           C  
-ATOM   2744  O   SER A 335      14.049 105.134  99.805  1.00 22.35           O  
-ATOM   2745  CB  SER A 335      13.738 108.356  98.920  1.00 30.80           C  
-ATOM   2746  OG  SER A 335      13.000 108.173 100.113  1.00 28.76           O  
-ATOM   2747  N   ALA A 336      15.915 106.392  99.811  1.00 27.73           N  
-ATOM   2748  CA  ALA A 336      16.544 105.620 100.867  1.00 22.14           C  
-ATOM   2749  C   ALA A 336      15.690 105.619 102.132  1.00 23.28           C  
-ATOM   2750  O   ALA A 336      15.579 104.605 102.825  1.00 20.96           O  
-ATOM   2751  CB  ALA A 336      17.946 106.180 101.172  1.00 23.89           C  
-ATOM   2752  N   GLU A 337      15.089 106.762 102.438  1.00 26.90           N  
-ATOM   2753  CA  GLU A 337      14.220 106.868 103.612  1.00 28.42           C  
-ATOM   2754  C   GLU A 337      12.990 105.946 103.522  1.00 25.76           C  
-ATOM   2755  O   GLU A 337      12.564 105.331 104.508  1.00 22.98           O  
-ATOM   2756  CB  GLU A 337      13.798 108.328 103.812  1.00 31.62           C  
-ATOM   2757  CG  GLU A 337      14.945 109.267 104.216  1.00 37.30           C  
-ATOM   2758  CD  GLU A 337      15.845 109.737 103.050  1.00 36.70           C  
-ATOM   2759  OE1 GLU A 337      15.610 109.370 101.874  1.00 31.38           O  
-ATOM   2760  OE2 GLU A 337      16.798 110.506 103.324  1.00 48.03           O  
-ATOM   2761  N   GLU A 338      12.425 105.844 102.332  1.00 22.13           N  
-ATOM   2762  CA  GLU A 338      11.297 104.941 102.120  1.00 25.24           C  
-ATOM   2763  C   GLU A 338      11.687 103.465 102.257  1.00 21.98           C  
-ATOM   2764  O   GLU A 338      10.945 102.660 102.856  1.00 20.33           O  
-ATOM   2765  CB  GLU A 338      10.714 105.172 100.739  1.00 25.17           C  
-ATOM   2766  CG  GLU A 338      10.157 106.554 100.494  1.00 36.25           C  
-ATOM   2767  CD  GLU A 338       9.855 106.745  99.023  1.00 34.74           C  
-ATOM   2768  OE1 GLU A 338      10.455 107.637  98.391  1.00 42.16           O  
-ATOM   2769  OE2 GLU A 338       9.045 105.963  98.490  1.00 43.70           O  
-ATOM   2770  N   LEU A 339      12.844 103.099 101.692  1.00 18.84           N  
-ATOM   2771  CA  LEU A 339      13.365 101.737 101.870  1.00 22.54           C  
-ATOM   2772  C   LEU A 339      13.562 101.418 103.345  1.00 19.80           C  
-ATOM   2773  O   LEU A 339      13.170 100.354 103.821  1.00 18.99           O  
-ATOM   2774  CB  LEU A 339      14.699 101.522 101.123  1.00 20.29           C  
-ATOM   2775  CG  LEU A 339      14.696 101.636  99.599  1.00 27.18           C  
-ATOM   2776  CD1 LEU A 339      15.948 100.956  99.042  1.00 24.20           C  
-ATOM   2777  CD2 LEU A 339      13.441 101.006  99.006  1.00 25.10           C  
-ATOM   2778  N   GLU A 340      14.173 102.339 104.080  1.00 22.37           N  
-ATOM   2779  CA  GLU A 340      14.417 102.079 105.490  1.00 22.14           C  
-ATOM   2780  C   GLU A 340      13.096 101.932 106.244  1.00 20.17           C  
-ATOM   2781  O   GLU A 340      12.946 101.047 107.074  1.00 21.39           O  
-ATOM   2782  CB  GLU A 340      15.268 103.180 106.101  1.00 22.51           C  
-ATOM   2783  CG  GLU A 340      16.649 103.253 105.464  1.00 25.17           C  
-ATOM   2784  CD  GLU A 340      17.538 104.309 106.083  1.00 42.41           C  
-ATOM   2785  OE1 GLU A 340      18.189 105.036 105.304  1.00 34.80           O  
-ATOM   2786  OE2 GLU A 340      17.604 104.385 107.335  1.00 41.26           O  
-ATOM   2787  N   ASP A 341      12.155 102.811 105.928  1.00 25.93           N  
-ATOM   2788  CA  ASP A 341      10.814 102.793 106.514  1.00 20.19           C  
-ATOM   2789  C   ASP A 341      10.136 101.450 106.245  1.00 21.56           C  
-ATOM   2790  O   ASP A 341       9.507 100.860 107.127  1.00 25.19           O  
-ATOM   2791  CB  ASP A 341      10.026 103.916 105.851  1.00 22.87           C  
-ATOM   2792  CG  ASP A 341       8.773 104.288 106.605  1.00 46.56           C  
-ATOM   2793  OD1 ASP A 341       8.865 104.600 107.815  1.00 43.47           O  
-ATOM   2794  OD2 ASP A 341       7.693 104.281 105.967  1.00 40.22           O  
-ATOM   2795  N   TRP A 342      10.240 100.977 105.006  1.00 21.59           N  
-ATOM   2796  CA  TRP A 342       9.646  99.697 104.648  1.00 22.64           C  
-ATOM   2797  C   TRP A 342      10.306  98.561 105.415  1.00 25.81           C  
-ATOM   2798  O   TRP A 342       9.631  97.687 105.956  1.00 20.09           O  
-ATOM   2799  CB  TRP A 342       9.708  99.455 103.130  1.00 21.00           C  
-ATOM   2800  CG  TRP A 342       8.962  98.221 102.736  1.00 20.53           C  
-ATOM   2801  CD1 TRP A 342       7.610  98.110 102.554  1.00 23.71           C  
-ATOM   2802  CD2 TRP A 342       9.509  96.913 102.490  1.00 17.73           C  
-ATOM   2803  NE1 TRP A 342       7.284  96.818 102.211  1.00 22.96           N  
-ATOM   2804  CE2 TRP A 342       8.428  96.063 102.164  1.00 17.52           C  
-ATOM   2805  CE3 TRP A 342      10.806  96.379 102.513  1.00 18.49           C  
-ATOM   2806  CZ2 TRP A 342       8.601  94.708 101.869  1.00 24.22           C  
-ATOM   2807  CZ3 TRP A 342      10.975  95.041 102.216  1.00 20.71           C  
-ATOM   2808  CH2 TRP A 342       9.880  94.215 101.902  1.00 24.03           C  
-ATOM   2809  N   LEU A 343      11.637  98.566 105.474  1.00 20.45           N  
-ATOM   2810  CA  LEU A 343      12.329  97.529 106.209  1.00 20.56           C  
-ATOM   2811  C   LEU A 343      11.887  97.526 107.679  1.00 21.28           C  
-ATOM   2812  O   LEU A 343      11.636  96.471 108.253  1.00 24.40           O  
-ATOM   2813  CB  LEU A 343      13.852  97.696 106.078  1.00 16.65           C  
-ATOM   2814  CG  LEU A 343      14.406  97.381 104.674  1.00 24.57           C  
-ATOM   2815  CD1 LEU A 343      15.911  97.715 104.582  1.00 23.20           C  
-ATOM   2816  CD2 LEU A 343      14.161  95.908 104.280  1.00 18.10           C  
-ATOM   2817  N   GLU A 344      11.780  98.712 108.273  1.00 23.42           N  
-ATOM   2818  CA  GLU A 344      11.309  98.825 109.654  1.00 24.53           C  
-ATOM   2819  C   GLU A 344       9.933  98.189 109.827  1.00 23.22           C  
-ATOM   2820  O   GLU A 344       9.710  97.391 110.749  1.00 28.68           O  
-ATOM   2821  CB  GLU A 344      11.282 100.296 110.102  1.00 26.83           C  
-ATOM   2822  CG  GLU A 344      12.661 100.900 110.342  1.00 29.39           C  
-ATOM   2823  CD  GLU A 344      12.609 102.375 110.746  1.00 49.20           C  
-ATOM   2824  OE1 GLU A 344      11.534 102.848 111.176  1.00 50.78           O  
-ATOM   2825  OE2 GLU A 344      13.652 103.059 110.630  1.00 60.26           O  
-ATOM   2826  N   ASP A 345       9.018  98.541 108.931  1.00 27.96           N  
-ATOM   2827  CA  ASP A 345       7.655  98.009 108.964  1.00 24.00           C  
-ATOM   2828  C   ASP A 345       7.651  96.498 108.919  1.00 27.12           C  
-ATOM   2829  O   ASP A 345       6.934  95.840 109.668  1.00 27.03           O  
-ATOM   2830  CB  ASP A 345       6.866  98.507 107.755  1.00 24.57           C  
-ATOM   2831  CG  ASP A 345       6.460  99.960 107.877  1.00 32.79           C  
-ATOM   2832  OD1 ASP A 345       6.626 100.534 108.980  1.00 26.96           O  
-ATOM   2833  OD2 ASP A 345       5.974 100.511 106.861  1.00 29.21           O  
-ATOM   2834  N   VAL A 346       8.422  95.934 108.001  1.00 21.87           N  
-ATOM   2835  CA  VAL A 346       8.410  94.489 107.832  1.00 19.26           C  
-ATOM   2836  C   VAL A 346       9.093  93.780 109.005  1.00 26.21           C  
-ATOM   2837  O   VAL A 346       8.608  92.762 109.495  1.00 26.81           O  
-ATOM   2838  CB  VAL A 346       9.117  94.072 106.516  1.00 28.32           C  
-ATOM   2839  CG1 VAL A 346       9.430  92.572 106.522  1.00 29.87           C  
-ATOM   2840  CG2 VAL A 346       8.255  94.448 105.327  1.00 31.03           C  
-ATOM   2841  N   LEU A 347      10.224  94.312 109.452  1.00 26.54           N  
-ATOM   2842  CA  LEU A 347      11.022  93.597 110.448  1.00 30.00           C  
-ATOM   2843  C   LEU A 347      10.518  93.762 111.887  1.00 42.74           C  
-ATOM   2844  O   LEU A 347      10.876  92.972 112.764  1.00 43.13           O  
-ATOM   2845  CB  LEU A 347      12.500  93.980 110.343  1.00 30.64           C  
-ATOM   2846  CG  LEU A 347      13.151  93.584 109.012  1.00 35.29           C  
-ATOM   2847  CD1 LEU A 347      14.628  93.867 109.021  1.00 42.88           C  
-ATOM   2848  CD2 LEU A 347      12.890  92.120 108.734  1.00 40.37           C  
-ATOM   2849  N   GLU A 348       9.691  94.778 112.128  1.00 41.22           N  
-ATOM   2850  CA  GLU A 348       9.082  94.962 113.446  1.00 53.49           C  
-ATOM   2851  C   GLU A 348       7.914  93.994 113.660  1.00 56.15           C  
-ATOM   2852  O   GLU A 348       7.765  93.418 114.742  1.00 60.80           O  
-ATOM   2853  CB  GLU A 348       8.609  96.406 113.646  1.00 49.50           C  
-ATOM   2854  CG  GLU A 348       7.244  96.710 113.042  0.77 45.95           C  
-ATOM   2855  CD  GLU A 348       6.668  98.024 113.532  0.00 48.81           C  
-ATOM   2856  OE1 GLU A 348       7.288  98.648 114.419  1.00 64.90           O  
-ATOM   2857  OE2 GLU A 348       5.596  98.430 113.033  1.00 45.80           O  
-ATOM   2858  N   GLY A 349       7.099  93.817 112.620  0.77 52.21           N  
-ATOM   2859  CA  GLY A 349       5.922  92.966 112.685  0.77 56.23           C  
-ATOM   2860  C   GLY A 349       6.255  91.498 112.874  0.77 65.30           C  
-ATOM   2861  O   GLY A 349       5.722  90.840 113.772  0.77 68.03           O  
-ATOM   2862  N   GLU A 350       7.137  90.981 112.023  0.40 58.26           N  
-ATOM   2863  CA  GLU A 350       7.573  89.592 112.119  0.85 60.72           C  
-ATOM   2864  C   GLU A 350       8.880  89.487 112.898  0.49 60.99           C  
-ATOM   2865  O   GLU A 350       9.210  90.364 113.699  0.83 61.21           O  
-ATOM   2866  CB  GLU A 350       7.736  88.979 110.726  1.00 69.58           C  
-TER    2867      GLU A 350                                                      
-HETATM 2868  C1  NAG B   1      11.023  80.768 108.893  1.00 35.29           C  
-HETATM 2869  C2  NAG B   1      10.445  81.296 110.205  1.00 46.42           C  
-HETATM 2870  C3  NAG B   1      10.288  80.207 111.260  1.00 54.67           C  
-HETATM 2871  C4  NAG B   1       9.588  78.984 110.690  1.00 56.99           C  
-HETATM 2872  C5  NAG B   1      10.074  78.590 109.296  1.00 49.18           C  
-HETATM 2873  C6  NAG B   1       9.056  77.616 108.699  1.00 53.03           C  
-HETATM 2874  C7  NAG B   1      10.737  83.585 110.865  1.00 43.85           C  
-HETATM 2875  C8  NAG B   1       9.285  83.744 110.513  1.00 49.30           C  
-HETATM 2876  N2  NAG B   1      11.255  82.366 110.745  1.00 40.98           N  
-HETATM 2877  O3  NAG B   1       9.526  80.716 112.333  1.00 50.80           O  
-HETATM 2878  O4  NAG B   1       9.824  77.899 111.564  1.00 74.11           O  
-HETATM 2879  O5  NAG B   1      10.217  79.699 108.422  1.00 42.36           O  
-HETATM 2880  O6  NAG B   1       9.620  76.866 107.647  1.00 54.21           O  
-HETATM 2881  O7  NAG B   1      11.394  84.550 111.246  1.00 48.61           O  
-HETATM 2882  C1  NAG B   2       8.594  77.396 112.126  1.00 71.83           C  
-HETATM 2883  C2  NAG B   2       8.906  76.085 112.848  1.00 70.27           C  
-HETATM 2884  C3  NAG B   2       7.685  75.525 113.567  1.00 87.29           C  
-HETATM 2885  C4  NAG B   2       7.025  76.612 114.405  1.00 91.87           C  
-HETATM 2886  C5  NAG B   2       6.757  77.841 113.539  1.00 83.99           C  
-HETATM 2887  C6  NAG B   2       6.095  78.960 114.334  1.00 86.69           C  
-HETATM 2888  C7  NAG B   2      10.728  74.901 111.749  1.00 71.74           C  
-HETATM 2889  C8  NAG B   2      11.659  75.665 112.648  1.00 72.16           C  
-HETATM 2890  N2  NAG B   2       9.420  75.111 111.906  1.00 68.13           N  
-HETATM 2891  O3  NAG B   2       8.064  74.443 114.394  1.00 92.07           O  
-HETATM 2892  O4  NAG B   2       5.821  76.121 114.957  1.00 94.37           O  
-HETATM 2893  O5  NAG B   2       7.968  78.320 112.991  1.00 73.71           O  
-HETATM 2894  O6  NAG B   2       5.854  80.056 113.478  1.00 87.62           O  
-HETATM 2895  O7  NAG B   2      11.181  74.124 110.907  1.00 68.26           O  
-HETATM 2896  C1  MPD A 403      19.206  79.453  99.259  1.00 28.29           C  
-HETATM 2897  C2  MPD A 403      17.903  79.909  98.613  1.00 31.08           C  
-HETATM 2898  O2  MPD A 403      17.777  79.337  97.289  1.00 28.09           O  
-HETATM 2899  CM  MPD A 403      16.742  79.400  99.462  1.00 37.07           C  
-HETATM 2900  C3  MPD A 403      17.826  81.422  98.476  1.00 30.99           C  
-HETATM 2901  C4  MPD A 403      18.914  81.991  97.564  1.00 29.40           C  
-HETATM 2902  O4  MPD A 403      18.836  81.451  96.261  1.00 27.74           O  
-HETATM 2903  C5  MPD A 403      18.782  83.499  97.473  1.00 33.12           C  
-HETATM 2904  C1  MPD A 404      16.177 100.622 110.957  1.00 39.73           C  
-HETATM 2905  C2  MPD A 404      16.621  99.633 109.885  1.00 47.56           C  
-HETATM 2906  O2  MPD A 404      15.518  98.756 109.554  1.00 54.65           O  
-HETATM 2907  CM  MPD A 404      17.018 100.381 108.616  1.00 46.62           C  
-HETATM 2908  C3  MPD A 404      17.789  98.789 110.385  1.00 54.82           C  
-HETATM 2909  C4  MPD A 404      17.348  97.625 111.271  1.00 59.81           C  
-HETATM 2910  O4  MPD A 404      16.005  97.784 111.668  1.00 65.08           O  
-HETATM 2911  C5  MPD A 404      17.497  96.286 110.558  1.00 48.49           C  
-HETATM 2912  C1  MRD A 405      23.210  75.558  88.295  1.00 28.06           C  
-HETATM 2913  C2  MRD A 405      22.770  75.360  89.735  1.00 30.35           C  
-HETATM 2914  O2  MRD A 405      22.288  76.635  90.222  1.00 30.56           O  
-HETATM 2915  CM  MRD A 405      23.962  74.922  90.573  1.00 30.81           C  
-HETATM 2916  C3  MRD A 405      21.661  74.321  89.893  1.00 26.27           C  
-HETATM 2917  C4  MRD A 405      20.444  74.503  88.989  1.00 34.87           C  
-HETATM 2918  O4  MRD A 405      19.753  75.704  89.260  1.00 26.04           O  
-HETATM 2919  C5  MRD A 405      19.481  73.336  89.207  1.00 31.79           C  
+HEADER    CALCIUM BINDING PROTEIN                 10-DEC-11   3V1W
+TITLE     MOLECULAR BASIS FOR MULTIPLE LIGAND BINDING OF CALSEQUESTRIN AND
+TITLE    2 POTENTIAL INHIBITION BY CAFFEINE AND GALLOCATECIN
+COMPND    MOL_ID: 1;
+COMPND   2 MOLECULE: CALSEQUESTRIN-1;
+COMPND   3 CHAIN: A;
+COMPND   4 SYNONYM: ASPARTACTIN, CALSEQUESTRIN, SKELETAL MUSCLE ISOFORM,
+COMPND   5 LAMININ-BINDING PROTEIN
+SOURCE    MOL_ID: 1;
+SOURCE   2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS;
+SOURCE   3 ORGANISM_COMMON: EUROPEAN RABBIT,JAPANESE WHITE RABBIT,DOMESTIC
+SOURCE   4 RABBIT,RABBITS;
+SOURCE   5 ORGANISM_TAXID: 9986
+KEYWDS    THIOREDOXIN FOLD, CALCIUM BINDING PROTEIN
+EXPDTA    X-RAY DIFFRACTION
+AUTHOR    A.K.SUBRAMANIAN,M.N.NISSEN,K.M.LEWIS,E.J.SANCHEZ,A.K.MURALIDHARAN,
+AUTHOR   2 C.KANG
+REVDAT   2   29-JUL-20 3V1W    1       COMPND REMARK HETNAM LINK
+REVDAT   2 2                   1       SITE   ATOM
+REVDAT   1   12-DEC-12 3V1W    0
+JRNL        AUTH   A.K.SUBRAMANIAN,M.N.NISSEN,K.M.LEWIS,E.J.SANCHEZ,
+JRNL        AUTH 2 A.K.MURALIDHARAN,C.KANG
+JRNL        TITL   MOLECULAR BASIS FOR MULTIPLE LIGAND BINDING OF CALSEQUESTRIN
+JRNL        TITL 2 AND POTENTIAL INHIBITION BY CAFFEINE AND GALLOCATECIN
+JRNL        REF    TO BE PUBLISHED
+JRNL        REFN
+REMARK   2
+REMARK   2 RESOLUTION.    1.91 ANGSTROMS.
+REMARK   3
+REMARK   3 REFINEMENT.
+REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.6.1_357)
+REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN
+REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,
+REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,
+REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,
+REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,
+REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,
+REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT
+REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART
+REMARK   3
+REMARK   3    REFINEMENT TARGET : ML
+REMARK   3
+REMARK   3  DATA USED IN REFINEMENT.
+REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.91
+REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 38.95
+REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.160
+REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.6
+REMARK   3   NUMBER OF REFLECTIONS             : 36846
+REMARK   3
+REMARK   3  FIT TO DATA USED IN REFINEMENT.
+REMARK   3   R VALUE     (WORKING + TEST SET) : 0.174
+REMARK   3   R VALUE            (WORKING SET) : 0.171
+REMARK   3   FREE R VALUE                     : 0.222
+REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.380
+REMARK   3   FREE R VALUE TEST SET COUNT      : 1981
+REMARK   3
+REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).
+REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE
+REMARK   3     1 38.9578 -  4.5963    0.99     2671   153  0.1727 0.2257
+REMARK   3     2  4.5963 -  3.6491    1.00     2574   145  0.1469 0.1773
+REMARK   3     3  3.6491 -  3.1880    1.00     2530   145  0.1517 0.2024
+REMARK   3     4  3.1880 -  2.8967    1.00     2531   144  0.1805 0.1953
+REMARK   3     5  2.8967 -  2.6891    1.00     2512   142  0.1880 0.2614
+REMARK   3     6  2.6891 -  2.5306    0.99     2509   142  0.1832 0.2462
+REMARK   3     7  2.5306 -  2.4039    0.99     2506   142  0.1870 0.2492
+REMARK   3     8  2.4039 -  2.2992    0.99     2464   141  0.1707 0.2306
+REMARK   3     9  2.2992 -  2.2107    0.99     2469   140  0.1799 0.2392
+REMARK   3    10  2.2107 -  2.1345    0.98     2465   139  0.1673 0.2579
+REMARK   3    11  2.1345 -  2.0677    0.99     2465   140  0.1730 0.2388
+REMARK   3    12  2.0677 -  2.0086    0.98     2443   139  0.1695 0.2721
+REMARK   3    13  2.0086 -  1.9557    0.98     2442   138  0.1840 0.2291
+REMARK   3    14  1.9557 -  1.9080    0.92     2284   131  0.1795 0.2529
+REMARK   3
+REMARK   3  BULK SOLVENT MODELLING.
+REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL
+REMARK   3   SOLVENT RADIUS     : 1.11
+REMARK   3   SHRINKAGE RADIUS   : 0.90
+REMARK   3   K_SOL              : 0.33
+REMARK   3   B_SOL              : 42.83
+REMARK   3
+REMARK   3  ERROR ESTIMATES.
+REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.240
+REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.040
+REMARK   3
+REMARK   3  B VALUES.
+REMARK   3   FROM WILSON PLOT           (A**2) : NULL
+REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL
+REMARK   3   OVERALL ANISOTROPIC B VALUE.
+REMARK   3    B11 (A**2) : -3.99850
+REMARK   3    B22 (A**2) : 1.32850
+REMARK   3    B33 (A**2) : 2.67000
+REMARK   3    B12 (A**2) : 0.00000
+REMARK   3    B13 (A**2) : 0.00000
+REMARK   3    B23 (A**2) : 0.00000
+REMARK   3
+REMARK   3  TWINNING INFORMATION.
+REMARK   3   FRACTION: NULL
+REMARK   3   OPERATOR: NULL
+REMARK   3
+REMARK   3  DEVIATIONS FROM IDEAL VALUES.
+REMARK   3                 RMSD          COUNT
+REMARK   3   BOND      :  0.014           3018
+REMARK   3   ANGLE     :  1.122           4139
+REMARK   3   CHIRALITY :  0.082            443
+REMARK   3   PLANARITY :  0.005            536
+REMARK   3   DIHEDRAL  : 16.311           1128
+REMARK   3
+REMARK   3  TLS DETAILS
+REMARK   3   NUMBER OF TLS GROUPS  : NULL
+REMARK   3
+REMARK   3  NCS DETAILS
+REMARK   3   NUMBER OF NCS GROUPS : NULL
+REMARK   3
+REMARK   3  OTHER REFINEMENT REMARKS: NULL
+REMARK   4
+REMARK   4 3V1W COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
+REMARK 100
+REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JAN-12.
+REMARK 100 THE DEPOSITION ID IS D_1000069490.
+REMARK 200
+REMARK 200 EXPERIMENTAL DETAILS
+REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION
+REMARK 200  DATE OF DATA COLLECTION        : NULL
+REMARK 200  TEMPERATURE           (KELVIN) : NULL
+REMARK 200  PH                             : NULL
+REMARK 200  NUMBER OF CRYSTALS USED        : 1
+REMARK 200
+REMARK 200  SYNCHROTRON              (Y/N) : Y
+REMARK 200  RADIATION SOURCE               : ALS
+REMARK 200  BEAMLINE                       : 8.2.1
+REMARK 200  X-RAY GENERATOR MODEL          : NULL
+REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M
+REMARK 200  WAVELENGTH OR RANGE        (A) : 1.000
+REMARK 200  MONOCHROMATOR                  : NULL
+REMARK 200  OPTICS                         : NULL
+REMARK 200
+REMARK 200  DETECTOR TYPE                  : NULL
+REMARK 200  DETECTOR MANUFACTURER          : NULL
+REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL
+REMARK 200  DATA SCALING SOFTWARE          : NULL
+REMARK 200
+REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 36850
+REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.908
+REMARK 200  RESOLUTION RANGE LOW       (A) : 44.015
+REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL
+REMARK 200
+REMARK 200 OVERALL.
+REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL
+REMARK 200  DATA REDUNDANCY                : NULL
+REMARK 200  R MERGE                    (I) : NULL
+REMARK 200  R SYM                      (I) : NULL
+REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL
+REMARK 200
+REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
+REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
+REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL
+REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL
+REMARK 200  DATA REDUNDANCY IN SHELL       : NULL
+REMARK 200  R MERGE FOR SHELL          (I) : NULL
+REMARK 200  R SYM FOR SHELL            (I) : NULL
+REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL
+REMARK 200
+REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
+REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
+REMARK 200 SOFTWARE USED: NULL
+REMARK 200 STARTING MODEL: PDB ENTRY 3TRQ
+REMARK 200
+REMARK 200 REMARK: NULL
+REMARK 280
+REMARK 280 CRYSTAL
+REMARK 280 SOLVENT CONTENT, VS   (%): 55.92
+REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.79
+REMARK 280
+REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
+REMARK 290
+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
+REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21
+REMARK 290
+REMARK 290      SYMOP   SYMMETRY
+REMARK 290     NNNMMM   OPERATOR
+REMARK 290       1555   X,Y,Z
+REMARK 290       2555   -X,-Y,Z+1/2
+REMARK 290       3555   -X,Y,-Z+1/2
+REMARK 290       4555   X,-Y,-Z
+REMARK 290       5555   X+1/2,Y+1/2,Z
+REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2
+REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2
+REMARK 290       8555   X+1/2,-Y+1/2,-Z
+REMARK 290
+REMARK 290     WHERE NNN -> OPERATOR NUMBER
+REMARK 290           MMM -> TRANSLATION VECTOR
+REMARK 290
+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
+REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
+REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
+REMARK 290 RELATED MOLECULES.
+REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000
+REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000
+REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000
+REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000
+REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000
+REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       55.48250
+REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000
+REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000
+REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       55.48250
+REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000
+REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000
+REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000
+REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       29.54100
+REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       72.29600
+REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000
+REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       29.54100
+REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       72.29600
+REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       55.48250
+REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       29.54100
+REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       72.29600
+REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       55.48250
+REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       29.54100
+REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       72.29600
+REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000
+REMARK 290
+REMARK 290 REMARK: NULL
+REMARK 300
+REMARK 300 BIOMOLECULE: 1, 2
+REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
+REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
+REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
+REMARK 300 BURIED SURFACE AREA.
+REMARK 350
+REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
+REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
+REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
+REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND
+REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
+REMARK 350
+REMARK 350 BIOMOLECULE: 1
+REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
+REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
+REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000
+REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000
+REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000
+REMARK 350
+REMARK 350 BIOMOLECULE: 2
+REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC
+REMARK 350 SOFTWARE USED: PISA
+REMARK 350 TOTAL BURIED SURFACE AREA: 9120 ANGSTROM**2
+REMARK 350 SURFACE AREA OF THE COMPLEX: 34060 ANGSTROM**2
+REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -195.0 KCAL/MOL
+REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
+REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000
+REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000
+REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000
+REMARK 350   BIOMT1   2 -1.000000  0.000000  0.000000       59.08200
+REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000        0.00000
+REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000      166.44750
+REMARK 465
+REMARK 465 MISSING RESIDUES
+REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
+REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
+REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
+REMARK 465
+REMARK 465   M RES C SSSEQI
+REMARK 465     GLU A     1
+REMARK 465     ILE A   351
+REMARK 465     ASN A   352
+REMARK 465     THR A   353
+REMARK 465     GLU A   354
+REMARK 465     ASP A   355
+REMARK 465     ASP A   356
+REMARK 465     ASP A   357
+REMARK 465     ASP A   358
+REMARK 465     GLU A   359
+REMARK 465     ASP A   360
+REMARK 465     ASP A   361
+REMARK 465     ASP A   362
+REMARK 465     ASP A   363
+REMARK 465     ASP A   364
+REMARK 465     ASP A   365
+REMARK 465     ASP A   366
+REMARK 465     ASP A   367
+REMARK 470
+REMARK 470 MISSING ATOM
+REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
+REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
+REMARK 470 I=INSERTION CODE):
+REMARK 470   M RES CSSEQI  ATOMS
+REMARK 470     GLU A   2    CG   CD   OE1  OE2
+REMARK 470     GLU A 350    CG   CD   OE1  OE2
+REMARK 480
+REMARK 480 ZERO OCCUPANCY ATOM
+REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO
+REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS
+REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;
+REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
+REMARK 480   M RES C SSEQI ATOMS
+REMARK 480     GLU A  348   CD
+REMARK 500
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
+REMARK 500 SUBTOPIC: CLOSE CONTACTS
+REMARK 500
+REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
+REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15
+REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
+REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
+REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE
+REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
+REMARK 500
+REMARK 500 DISTANCE CUTOFF:
+REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
+REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
+REMARK 500
+REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE
+REMARK 500   OE2  GLU A    52     OE2  GLU A    52     3656     2.16
+REMARK 500
+REMARK 500 REMARK: NULL
+REMARK 500
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
+REMARK 500 SUBTOPIC: TORSION ANGLES
+REMARK 500
+REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
+REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
+REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
+REMARK 500
+REMARK 500 STANDARD TABLE:
+REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
+REMARK 500
+REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
+REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
+REMARK 500
+REMARK 500  M RES CSSEQI        PSI       PHI
+REMARK 500    GLU A  78      -64.58   -103.97
+REMARK 500    GLU A 100     -115.64     50.81
+REMARK 500    ASP A 210       34.34     70.53
+REMARK 500
+REMARK 500 REMARK: NULL
+REMARK 620
+REMARK 620 METAL COORDINATION
+REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
+REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
+REMARK 620
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
+REMARK 620                              CA A 406  CA
+REMARK 620 N RES CSSEQI ATOM
+REMARK 620 1 ASN A  17   OD1
+REMARK 620 2 VAL A  18   O   110.2
+REMARK 620 3 LEU A  74   O   123.3  88.7
+REMARK 620 4 ASP A  80   OD2 118.2  82.5 116.9
+REMARK 620 5 HOH A 501   O    76.8 172.7  88.8  92.5
+REMARK 620 N                    1     2     3     4
+REMARK 620
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
+REMARK 620                              NA A 410  NA
+REMARK 620 N RES CSSEQI ATOM
+REMARK 620 1 PRO A 172   O
+REMARK 620 2 HOH A 856   O    83.2
+REMARK 620 3 HOH A 865   O    95.4 102.2
+REMARK 620 4 HOH A 874   O   160.2  78.2  81.9
+REMARK 620 5 HOH A 924   O    98.0  77.1 166.3  84.5
+REMARK 620 6 HOH A1007   O   114.5 159.5  86.8  85.0  89.9
+REMARK 620 N                    1     2     3     4     5
+REMARK 620
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
+REMARK 620                              CA A 408  CA
+REMARK 620 N RES CSSEQI ATOM
+REMARK 620 1 THR A 189   O
+REMARK 620 2 THR A 189   OG1  68.5
+REMARK 620 3 HOH A 520   O    89.6 128.8
+REMARK 620 4 HOH A 581   O   130.7  80.2  81.3
+REMARK 620 5 HOH A 621   O    65.7 125.4  78.8 154.1
+REMARK 620 6 HOH A 876   O   117.5 100.0 130.7 104.3  77.1
+REMARK 620 N                    1     2     3     4     5
+REMARK 620
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
+REMARK 620                              CA A 407  CA
+REMARK 620 N RES CSSEQI ATOM
+REMARK 620 1 GLU A 199   OE1
+REMARK 620 2 GLU A 199   OE2  53.5
+REMARK 620 3 THR A 229   OG1 131.4  77.9
+REMARK 620 4 THR A 277   OG1  81.1  94.4 103.2
+REMARK 620 5 THR A 277   O   139.9 160.3  86.6  77.1
+REMARK 620 6 HOH A 731   O    83.0 133.0 142.6  95.6  66.3
+REMARK 620 7 HOH A 875   O    99.0 107.4  96.8 153.1  86.4  57.9
+REMARK 620 N                    1     2     3     4     5     6
+REMARK 620
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
+REMARK 620                              CA A 409  CA
+REMARK 620 N RES CSSEQI ATOM
+REMARK 620 1 ASP A 210   O
+REMARK 620 2 PRO A 212   O    81.7
+REMARK 620 3 GLU A 217   OE1 113.4  95.2
+REMARK 620 4 GLU A 217   OE2 117.3 143.6  49.5
+REMARK 620 5 HOH A 660   O   158.3  80.2  80.2  84.3
+REMARK 620 6 HOH A 943   O   100.9 154.7 106.5  57.0  90.5
+REMARK 620 7 HOH A1008   O    83.6  82.8 162.5 127.5  82.4  72.6
+REMARK 620 N                    1     2     3     4     5     6
+REMARK 620
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
+REMARK 620                              NA A 411  NA
+REMARK 620 N RES CSSEQI ATOM
+REMARK 620 1 GLY A 248   O
+REMARK 620 2 ASN A 316   OD1  76.1
+REMARK 620 3 THR A 318   OG1 132.4  75.7
+REMARK 620 4 HOH A1009   O   120.7 116.6 106.1
+REMARK 620 N                    1     2     3
+DBREF  3V1W A    1   367  UNP    P07221   CASQ1_RABIT     29    395
+SEQRES   1 A  367  GLU GLU GLY LEU ASP PHE PRO GLU TYR ASP GLY VAL ASP
+SEQRES   2 A  367  ARG VAL ILE ASN VAL ASN ALA LYS ASN TYR LYS ASN VAL
+SEQRES   3 A  367  PHE LYS LYS TYR GLU VAL LEU ALA LEU LEU TYR HIS GLU
+SEQRES   4 A  367  PRO PRO GLU ASP ASP LYS ALA SER GLN ARG GLN PHE GLU
+SEQRES   5 A  367  MET GLU GLU LEU ILE LEU GLU LEU ALA ALA GLN VAL LEU
+SEQRES   6 A  367  GLU ASP LYS GLY VAL GLY PHE GLY LEU VAL ASP SER GLU
+SEQRES   7 A  367  LYS ASP ALA ALA VAL ALA LYS LYS LEU GLY LEU THR GLU
+SEQRES   8 A  367  GLU ASP SER ILE TYR VAL PHE LYS GLU ASP GLU VAL ILE
+SEQRES   9 A  367  GLU TYR ASP GLY GLU PHE SER ALA ASP THR LEU VAL GLU
+SEQRES  10 A  367  PHE LEU LEU ASP VAL LEU GLU ASP PRO VAL GLU LEU ILE
+SEQRES  11 A  367  GLU GLY GLU ARG GLU LEU GLN ALA PHE GLU ASN ILE GLU
+SEQRES  12 A  367  ASP GLU ILE LYS LEU ILE GLY TYR PHE LYS ASN LYS ASP
+SEQRES  13 A  367  SER GLU HIS TYR LYS ALA PHE LYS GLU ALA ALA GLU GLU
+SEQRES  14 A  367  PHE HIS PRO TYR ILE PRO PHE PHE ALA THR PHE ASP SER
+SEQRES  15 A  367  LYS VAL ALA LYS LYS LEU THR LEU LYS LEU ASN GLU ILE
+SEQRES  16 A  367  ASP PHE TYR GLU ALA PHE MET GLU GLU PRO VAL THR ILE
+SEQRES  17 A  367  PRO ASP LYS PRO ASN SER GLU GLU GLU ILE VAL ASN PHE
+SEQRES  18 A  367  VAL GLU GLU HIS ARG ARG SER THR LEU ARG LYS LEU LYS
+SEQRES  19 A  367  PRO GLU SER MET TYR GLU THR TRP GLU ASP ASP MET ASP
+SEQRES  20 A  367  GLY ILE HIS ILE VAL ALA PHE ALA GLU GLU ALA ASP PRO
+SEQRES  21 A  367  ASP GLY TYR GLU PHE LEU GLU ILE LEU LYS SER VAL ALA
+SEQRES  22 A  367  GLN ASP ASN THR ASP ASN PRO ASP LEU SER ILE ILE TRP
+SEQRES  23 A  367  ILE ASP PRO ASP ASP PHE PRO LEU LEU VAL PRO TYR TRP
+SEQRES  24 A  367  GLU LYS THR PHE ASP ILE ASP LEU SER ALA PRO GLN ILE
+SEQRES  25 A  367  GLY VAL VAL ASN VAL THR ASP ALA ASP SER VAL TRP MET
+SEQRES  26 A  367  GLU MET ASP ASP GLU GLU ASP LEU PRO SER ALA GLU GLU
+SEQRES  27 A  367  LEU GLU ASP TRP LEU GLU ASP VAL LEU GLU GLY GLU ILE
+SEQRES  28 A  367  ASN THR GLU ASP ASP ASP ASP GLU ASP ASP ASP ASP ASP
+SEQRES  29 A  367  ASP ASP ASP
+MODRES 3V1W ASN A  316  ASN  GLYCOSYLATION SITE
+HET    NAG  B   1      14
+HET    NAG  B   2      14
+HET    MPD  A 403       8
+HET    MPD  A 404       8
+HET    MRD  A 405       8
+HET     CA  A 406       1
+HET     CA  A 407       1
+HET     CA  A 408       1
+HET     CA  A 409       1
+HET     NA  A 410       1
+HET     NA  A 411       1
+HETNAM     NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
+HETNAM     MPD (4S)-2-METHYL-2,4-PENTANEDIOL
+HETNAM     MRD (4R)-2-METHYLPENTANE-2,4-DIOL
+HETNAM      CA CALCIUM ION
+HETNAM      NA SODIUM ION
+FORMUL   2  NAG    2(C8 H15 N O6)
+FORMUL   3  MPD    2(C6 H14 O2)
+FORMUL   5  MRD    C6 H14 O2
+FORMUL   6   CA    4(CA 2+)
+FORMUL  10   NA    2(NA 1+)
+FORMUL  12  HOH   *514(H2 O)
+HELIX    1   1 ASN A   22  TYR A   30  1                                   9
+HELIX    2   2 ASP A   44  LEU A   65  1                                  22
+HELIX    3   3 ASP A   80  GLY A   88  1                                   9
+HELIX    4   4 SER A  111  GLU A  124  1                                  14
+HELIX    5   5 GLY A  132  ILE A  142  1                                  11
+HELIX    6   6 SER A  157  HIS A  171  1                                  15
+HELIX    7   7 ASP A  181  THR A  189  1                                   9
+HELIX    8   8 SER A  214  HIS A  225  1                                  12
+HELIX    9   9 LYS A  234  GLU A  236  5                                   3
+HELIX   10  10 SER A  237  ASP A  244  1                                   8
+HELIX   11  11 ASP A  259  ASN A  276  1                                  18
+HELIX   12  12 ASP A  288  PHE A  292  5                                   5
+HELIX   13  13 LEU A  295  ASP A  304  1                                  10
+HELIX   14  14 SER A  335  GLU A  350  1                                  16
+SHEET    1   A 5 ILE A  16  ASN A  17  0
+SHEET    2   A 5 VAL A  70  ASP A  76  1  O  PHE A  72   N  ILE A  16
+SHEET    3   A 5 VAL A  32  HIS A  38  1  N  LEU A  36   O  VAL A  75
+SHEET    4   A 5 SER A  94  LYS A  99 -1  O  TYR A  96   N  LEU A  35
+SHEET    5   A 5 GLU A 102  GLU A 105 -1  O  ILE A 104   N  VAL A  97
+SHEET    1   B 5 VAL A 127  LEU A 129  0
+SHEET    2   B 5 PHE A 176  THR A 179  1  O  PHE A 176   N  GLU A 128
+SHEET    3   B 5 LYS A 147  TYR A 151  1  N  LEU A 148   O  PHE A 177
+SHEET    4   B 5 ILE A 195  TYR A 198 -1  O  TYR A 198   N  LYS A 147
+SHEET    5   B 5 VAL A 206  THR A 207 -1  O  VAL A 206   N  PHE A 197
+SHEET    1   C 5 LEU A 230  LYS A 232  0
+SHEET    2   C 5 ILE A 284  ILE A 287  1  O  TRP A 286   N  ARG A 231
+SHEET    3   C 5 ILE A 249  PHE A 254  1  N  ALA A 253   O  ILE A 287
+SHEET    4   C 5 GLN A 311  ASN A 316 -1  O  VAL A 315   N  HIS A 250
+SHEET    5   C 5 SER A 322  TRP A 324 -1  O  VAL A 323   N  VAL A 314
+LINK         ND2 ASN A 316                 C1  NAG B   1     1555   1555  1.41
+LINK         O4  NAG B   1                 C1  NAG B   2     1555   1555  1.44
+LINK         OD1 ASN A  17                CA    CA A 406     1555   1555  2.30
+LINK         O   VAL A  18                CA    CA A 406     1555   1555  2.50
+LINK         O   LEU A  74                CA    CA A 406     1555   1555  2.46
+LINK         OD2 ASP A  80                CA    CA A 406     1555   1555  2.47
+LINK         O   PRO A 172                NA    NA A 410     1555   1555  2.15
+LINK         O   THR A 189                CA    CA A 408     1555   1555  2.23
+LINK         OG1 THR A 189                CA    CA A 408     1555   1555  2.57
+LINK         OE1 GLU A 199                CA    CA A 407     1555   1555  2.43
+LINK         OE2 GLU A 199                CA    CA A 407     1555   1555  2.45
+LINK         O   ASP A 210                CA    CA A 409     1555   1555  2.36
+LINK         O   PRO A 212                CA    CA A 409     1555   1555  2.40
+LINK         OE1 GLU A 217                CA    CA A 409     1555   1555  2.44
+LINK         OE2 GLU A 217                CA    CA A 409     1555   1555  2.71
+LINK         OG1 THR A 229                CA    CA A 407     1555   1555  2.41
+LINK         O   GLY A 248                NA    NA A 411     1555   1555  3.16
+LINK         OG1 THR A 277                CA    CA A 407     1555   1555  2.36
+LINK         O   THR A 277                CA    CA A 407     1555   1555  2.49
+LINK         OD1 ASN A 316                NA    NA A 411     1555   1555  3.03
+LINK         OG1 THR A 318                NA    NA A 411     1555   1555  2.45
+LINK        CA    CA A 406                 O   HOH A 501     1555   1555  2.56
+LINK        CA    CA A 407                 O   HOH A 731     1555   1555  3.12
+LINK        CA    CA A 407                 O   HOH A 875     1555   1555  2.35
+LINK        CA    CA A 408                 O   HOH A 520     1555   1555  2.36
+LINK        CA    CA A 408                 O   HOH A 581     1555   1555  2.40
+LINK        CA    CA A 408                 O   HOH A 621     1555   1555  2.93
+LINK        CA    CA A 408                 O   HOH A 876     1555   1555  2.35
+LINK        CA    CA A 409                 O   HOH A 660     1555   1555  2.41
+LINK        CA    CA A 409                 O   HOH A 943     1555   1555  2.26
+LINK        CA    CA A 409                 O   HOH A1008     1555   1555  2.34
+LINK        NA    NA A 410                 O   HOH A 856     1555   1555  2.47
+LINK        NA    NA A 410                 O   HOH A 865     1555   1555  2.41
+LINK        NA    NA A 410                 O   HOH A 874     1555   1555  2.47
+LINK        NA    NA A 410                 O   HOH A 924     1555   1555  2.37
+LINK        NA    NA A 410                 O   HOH A1007     1555   1555  2.32
+LINK        NA    NA A 411                 O   HOH A1009     1555   1555  2.38
+CISPEP   1 HIS A  171    PRO A  172          0        -2.19
+CISPEP   2 LYS A  211    PRO A  212          0        -3.70
+CRYST1   59.082  144.592  110.965  90.00  90.00  90.00 C 2 2 21      8
+ORIGX1      1.000000  0.000000  0.000000        0.00000
+ORIGX2      0.000000  1.000000  0.000000        0.00000
+ORIGX3      0.000000  0.000000  1.000000        0.00000
+SCALE1      0.016926  0.000000  0.000000        0.00000
+SCALE2      0.000000  0.006916  0.000000        0.00000
+SCALE3      0.000000  0.000000  0.009012        0.00000
+ATOM      1  N   GLU A   2      37.639  75.551  57.223  1.00 54.70           N
+ATOM      2  CA  GLU A   2      38.473  74.425  57.631  0.42 55.84           C
+ATOM      3  C   GLU A   2      39.565  74.865  58.605  0.65 48.57           C
+ATOM      4  O   GLU A   2      40.621  74.236  58.696  1.00 60.89           O
+ATOM      5  CB  GLU A   2      39.102  73.751  56.407  1.00 56.73           C
+ATOM      6  N   GLY A   3      39.304  75.945  59.333  0.89 49.01           N
+ATOM      7  CA  GLY A   3      40.287  76.499  60.247  0.89 38.62           C
+ATOM      8  C   GLY A   3      40.499  75.680  61.513  0.89 41.18           C
+ATOM      9  O   GLY A   3      39.804  74.698  61.764  0.89 34.39           O
+ATOM     10  N   LEU A   4      41.477  76.095  62.309  1.00 32.39           N
+ATOM     11  CA  LEU A   4      41.758  75.475  63.596  1.00 36.71           C
+ATOM     12  C   LEU A   4      40.543  75.611  64.522  1.00 40.40           C
+ATOM     13  O   LEU A   4      39.932  76.677  64.591  1.00 39.19           O
+ATOM     14  CB  LEU A   4      42.986  76.149  64.219  1.00 30.34           C
+ATOM     15  CG  LEU A   4      43.604  75.540  65.471  1.00 41.72           C
+ATOM     16  CD1 LEU A   4      44.181  74.170  65.155  1.00 53.66           C
+ATOM     17  CD2 LEU A   4      44.679  76.452  66.002  1.00 39.62           C
+ATOM     18  N   ASP A   5      40.190  74.531  65.219  1.00 37.30           N
+ATOM     19  CA  ASP A   5      39.069  74.542  66.162  1.00 41.69           C
+ATOM     20  C   ASP A   5      39.413  75.394  67.383  1.00 37.37           C
+ATOM     21  O   ASP A   5      40.587  75.478  67.761  1.00 33.21           O
+ATOM     22  CB  ASP A   5      38.763  73.119  66.660  1.00 39.31           C
+ATOM     23  CG  ASP A   5      38.118  72.232  65.598  1.00 49.82           C
+ATOM     24  OD1 ASP A   5      37.320  72.733  64.772  1.00 43.53           O
+ATOM     25  OD2 ASP A   5      38.402  71.016  65.611  1.00 43.79           O
+ATOM     26  N   PHE A   6      38.399  76.004  68.005  1.00 35.06           N
+ATOM     27  CA  PHE A   6      38.567  76.577  69.342  1.00 29.88           C
+ATOM     28  C   PHE A   6      38.984  75.443  70.262  1.00 32.27           C
+ATOM     29  O   PHE A   6      38.686  74.280  69.981  1.00 28.18           O
+ATOM     30  CB  PHE A   6      37.248  77.154  69.877  1.00 24.56           C
+ATOM     31  CG  PHE A   6      36.982  78.573  69.470  1.00 34.87           C
+ATOM     32  CD1 PHE A   6      37.366  79.626  70.285  1.00 31.20           C
+ATOM     33  CD2 PHE A   6      36.329  78.859  68.279  1.00 37.95           C
+ATOM     34  CE1 PHE A   6      37.119  80.937  69.914  1.00 30.63           C
+ATOM     35  CE2 PHE A   6      36.078  80.171  67.903  1.00 33.30           C
+ATOM     36  CZ  PHE A   6      36.468  81.209  68.719  1.00 29.24           C
+ATOM     37  N   PRO A   7      39.664  75.765  71.372  1.00 35.08           N
+ATOM     38  CA  PRO A   7      39.974  74.703  72.339  1.00 27.70           C
+ATOM     39  C   PRO A   7      38.678  73.993  72.742  1.00 26.45           C
+ATOM     40  O   PRO A   7      37.616  74.601  72.730  1.00 28.59           O
+ATOM     41  CB  PRO A   7      40.542  75.478  73.536  1.00 33.04           C
+ATOM     42  CG  PRO A   7      41.066  76.756  72.945  1.00 29.03           C
+ATOM     43  CD  PRO A   7      40.140  77.088  71.814  1.00 30.08           C
+ATOM     44  N   GLU A   8      38.757  72.712  73.076  1.00 25.95           N
+ATOM     45  CA  GLU A   8      37.583  71.984  73.521  1.00 22.30           C
+ATOM     46  C   GLU A   8      38.026  71.040  74.629  1.00 23.17           C
+ATOM     47  O   GLU A   8      39.176  70.616  74.654  1.00 23.58           O
+ATOM     48  CB  GLU A   8      37.004  71.153  72.377  1.00 21.41           C
+ATOM     49  CG  GLU A   8      37.943  70.040  71.919  1.00 26.79           C
+ATOM     50  CD  GLU A   8      37.375  69.196  70.779  1.00 40.03           C
+ATOM     51  OE1 GLU A   8      36.327  69.574  70.206  1.00 30.90           O
+ATOM     52  OE2 GLU A   8      37.982  68.146  70.468  1.00 35.35           O
+ATOM     53  N   TYR A   9      37.113  70.705  75.530  1.00 18.38           N
+ATOM     54  CA  TYR A   9      37.375  69.628  76.480  1.00 18.85           C
+ATOM     55  C   TYR A   9      37.785  68.364  75.715  1.00 19.35           C
+ATOM     56  O   TYR A   9      37.071  67.930  74.819  1.00 23.04           O
+ATOM     57  CB  TYR A   9      36.118  69.351  77.301  1.00 21.66           C
+ATOM     58  CG  TYR A   9      36.205  68.096  78.136  1.00 18.11           C
+ATOM     59  CD1 TYR A   9      37.204  67.934  79.085  1.00 18.11           C
+ATOM     60  CD2 TYR A   9      35.265  67.082  77.993  1.00 20.59           C
+ATOM     61  CE1 TYR A   9      37.276  66.783  79.852  1.00 18.67           C
+ATOM     62  CE2 TYR A   9      35.318  65.937  78.768  1.00 18.49           C
+ATOM     63  CZ  TYR A   9      36.332  65.789  79.685  1.00 23.08           C
+ATOM     64  OH  TYR A   9      36.390  64.639  80.439  1.00 22.27           O
+ATOM     65  N   ASP A  10      38.919  67.774  76.072  1.00 22.25           N
+ATOM     66  CA  ASP A  10      39.477  66.669  75.277  1.00 21.81           C
+ATOM     67  C   ASP A  10      39.169  65.276  75.816  1.00 27.16           C
+ATOM     68  O   ASP A  10      39.585  64.287  75.229  1.00 25.44           O
+ATOM     69  CB  ASP A  10      40.985  66.832  75.073  1.00 23.77           C
+ATOM     70  CG  ASP A  10      41.778  66.765  76.383  1.00 25.33           C
+ATOM     71  OD1 ASP A  10      41.201  66.461  77.450  1.00 22.44           O
+ATOM     72  OD2 ASP A  10      42.998  67.002  76.337  1.00 23.12           O
+ATOM     73  N   GLY A  11      38.431  65.196  76.921  1.00 21.88           N
+ATOM     74  CA  GLY A  11      38.067  63.907  77.486  1.00 23.37           C
+ATOM     75  C   GLY A  11      39.220  63.125  78.098  1.00 20.79           C
+ATOM     76  O   GLY A  11      39.083  61.941  78.407  1.00 26.05           O
+ATOM     77  N   VAL A  12      40.354  63.779  78.302  1.00 22.52           N
+ATOM     78  CA  VAL A  12      41.487  63.107  78.932  1.00 22.73           C
+ATOM     79  C   VAL A  12      41.449  63.330  80.440  1.00 28.29           C
+ATOM     80  O   VAL A  12      41.314  64.464  80.897  1.00 25.04           O
+ATOM     81  CB  VAL A  12      42.804  63.602  78.335  1.00 25.65           C
+ATOM     82  CG1 VAL A  12      44.008  63.095  79.142  1.00 30.12           C
+ATOM     83  CG2 VAL A  12      42.904  63.183  76.861  1.00 31.60           C
+ATOM     84  N   ASP A  13      41.543  62.256  81.220  1.00 23.68           N
+ATOM     85  CA  ASP A  13      41.454  62.396  82.678  1.00 26.11           C
+ATOM     86  C   ASP A  13      42.714  62.954  83.329  1.00 27.05           C
+ATOM     87  O   ASP A  13      43.822  62.512  83.050  1.00 23.89           O
+ATOM     88  CB  ASP A  13      41.030  61.095  83.340  1.00 27.77           C
+ATOM     89  CG  ASP A  13      39.599  60.745  83.031  1.00 32.83           C
+ATOM     90  OD1 ASP A  13      38.876  61.605  82.471  1.00 30.85           O
+ATOM     91  OD2 ASP A  13      39.188  59.616  83.351  1.00 29.38           O
+ATOM     92  N   ARG A  14      42.514  63.943  84.193  1.00 17.94           N
+ATOM     93  CA  ARG A  14      43.587  64.704  84.806  1.00 20.32           C
+ATOM     94  C   ARG A  14      43.381  64.806  86.310  1.00 21.80           C
+ATOM     95  O   ARG A  14      44.310  65.096  87.051  1.00 22.85           O
+ATOM     96  CB  ARG A  14      43.647  66.127  84.233  1.00 21.24           C
+ATOM     97  CG  ARG A  14      44.023  66.225  82.764  1.00 22.26           C
+ATOM     98  CD  ARG A  14      44.042  67.675  82.309  1.00 24.08           C
+ATOM     99  NE  ARG A  14      44.529  67.790  80.942  1.00 24.58           N
+ATOM    100  CZ  ARG A  14      43.806  67.552  79.851  1.00 24.06           C
+ATOM    101  NH1 ARG A  14      42.537  67.191  79.951  1.00 20.60           N
+ATOM    102  NH2 ARG A  14      44.368  67.674  78.644  1.00 24.11           N
+ATOM    103  N   VAL A  15      42.150  64.603  86.753  1.00 21.96           N
+ATOM    104  CA  VAL A  15      41.848  64.688  88.171  1.00 21.05           C
+ATOM    105  C   VAL A  15      42.413  63.443  88.851  1.00 24.75           C
+ATOM    106  O   VAL A  15      42.123  62.325  88.443  1.00 20.76           O
+ATOM    107  CB  VAL A  15      40.346  64.791  88.397  1.00 18.80           C
+ATOM    108  CG1 VAL A  15      40.019  64.799  89.889  1.00 23.91           C
+ATOM    109  CG2 VAL A  15      39.805  66.061  87.689  1.00 17.92           C
+ATOM    110  N   ILE A  16      43.222  63.660  89.876  1.00 21.00           N
+ATOM    111  CA  ILE A  16      43.966  62.584  90.528  1.00 24.15           C
+ATOM    112  C   ILE A  16      43.185  61.952  91.660  1.00 24.08           C
+ATOM    113  O   ILE A  16      42.602  62.644  92.489  1.00 22.69           O
+ATOM    114  CB  ILE A  16      45.267  63.119  91.118  1.00 23.72           C
+ATOM    115  CG1 ILE A  16      46.169  63.670  90.021  1.00 23.99           C
+ATOM    116  CG2 ILE A  16      45.990  62.040  91.959  1.00 26.01           C
+ATOM    117  CD1 ILE A  16      47.105  64.717  90.553  1.00 25.51           C
+ATOM    118  N   ASN A  17      43.183  60.628  91.694  1.00 26.34           N
+ATOM    119  CA  ASN A  17      42.709  59.905  92.855  1.00 30.83           C
+ATOM    120  C   ASN A  17      43.772  60.024  93.938  1.00 33.37           C
+ATOM    121  O   ASN A  17      44.748  59.272  93.938  1.00 27.61           O
+ATOM    122  CB  ASN A  17      42.473  58.440  92.498  1.00 36.45           C
+ATOM    123  CG  ASN A  17      42.019  57.618  93.685  1.00 42.06           C
+ATOM    124  OD1 ASN A  17      41.349  58.121  94.580  1.00 38.59           O
+ATOM    125  ND2 ASN A  17      42.383  56.338  93.696  1.00 58.69           N
+ATOM    126  N   VAL A  18      43.603  60.996  94.833  1.00 26.70           N
+ATOM    127  CA  VAL A  18      44.575  61.247  95.889  1.00 23.99           C
+ATOM    128  C   VAL A  18      44.410  60.179  96.983  1.00 33.73           C
+ATOM    129  O   VAL A  18      43.301  59.936  97.476  1.00 29.56           O
+ATOM    130  CB  VAL A  18      44.420  62.676  96.458  1.00 26.23           C
+ATOM    131  CG1 VAL A  18      45.306  62.899  97.678  1.00 20.17           C
+ATOM    132  CG2 VAL A  18      44.736  63.721  95.372  1.00 29.36           C
+ATOM    133  N   ASN A  19      45.506  59.520  97.344  1.00 30.23           N
+ATOM    134  CA  ASN A  19      45.431  58.451  98.345  1.00 27.90           C
+ATOM    135  C   ASN A  19      46.631  58.428  99.267  1.00 27.69           C
+ATOM    136  O   ASN A  19      47.560  59.227  99.131  1.00 30.31           O
+ATOM    137  CB  ASN A  19      45.271  57.087  97.673  1.00 29.25           C
+ATOM    138  CG  ASN A  19      46.439  56.744  96.775  1.00 23.03           C
+ATOM    139  OD1 ASN A  19      47.586  57.039  97.097  1.00 31.39           O
+ATOM    140  ND2 ASN A  19      46.151  56.142  95.636  1.00 37.18           N
+ATOM    141  N   ALA A  20      46.588  57.505 100.220  1.00 30.54           N
+ATOM    142  CA  ALA A  20      47.630  57.388 101.216  1.00 29.91           C
+ATOM    143  C   ALA A  20      48.989  57.310 100.527  1.00 27.73           C
+ATOM    144  O   ALA A  20      49.948  57.941 100.958  1.00 29.33           O
+ATOM    145  CB  ALA A  20      47.390  56.145 102.087  1.00 30.27           C
+ATOM    146  N   LYS A  21      49.056  56.560  99.433  1.00 28.51           N
+ATOM    147  CA  LYS A  21      50.349  56.309  98.800  1.00 30.40           C
+ATOM    148  C   LYS A  21      50.890  57.488  97.991  1.00 32.29           C
+ATOM    149  O   LYS A  21      52.100  57.662  97.881  1.00 32.71           O
+ATOM    150  CB  LYS A  21      50.304  55.016  97.981  1.00 33.38           C
+ATOM    151  CG  LYS A  21      50.085  53.777  98.866  1.00 41.58           C
+ATOM    152  CD  LYS A  21      50.244  52.462  98.108  1.00 55.90           C
+ATOM    153  CE  LYS A  21      50.191  51.268  99.066  1.00 66.99           C
+ATOM    154  NZ  LYS A  21      50.153  49.946  98.370  1.00 61.50           N
+ATOM    155  N   ASN A  22      50.009  58.330  97.459  1.00 31.43           N
+ATOM    156  CA  ASN A  22      50.490  59.387  96.571  1.00 25.19           C
+ATOM    157  C   ASN A  22      50.368  60.828  97.066  1.00 27.40           C
+ATOM    158  O   ASN A  22      50.933  61.736  96.462  1.00 26.62           O
+ATOM    159  CB  ASN A  22      49.860  59.248  95.183  1.00 25.68           C
+ATOM    160  CG  ASN A  22      48.395  59.584  95.174  1.00 28.54           C
+ATOM    161  OD1 ASN A  22      47.885  60.231  96.095  1.00 24.04           O
+ATOM    162  ND2 ASN A  22      47.695  59.128  94.141  1.00 27.10           N
+ATOM    163  N   TYR A  23      49.644  61.053  98.155  1.00 29.69           N
+ATOM    164  CA  TYR A  23      49.313  62.429  98.514  1.00 24.94           C
+ATOM    165  C   TYR A  23      50.514  63.329  98.788  1.00 34.45           C
+ATOM    166  O   TYR A  23      50.506  64.506  98.430  1.00 27.90           O
+ATOM    167  CB  TYR A  23      48.242  62.500  99.615  1.00 25.99           C
+ATOM    168  CG  TYR A  23      48.740  62.430 101.045  1.00 43.14           C
+ATOM    169  CD1 TYR A  23      48.924  61.205 101.684  1.00 33.32           C
+ATOM    170  CD2 TYR A  23      48.988  63.592 101.769  1.00 42.38           C
+ATOM    171  CE1 TYR A  23      49.368  61.146 103.001  1.00 41.53           C
+ATOM    172  CE2 TYR A  23      49.425  63.539 103.080  1.00 44.73           C
+ATOM    173  CZ  TYR A  23      49.613  62.313 103.693  1.00 53.41           C
+ATOM    174  OH  TYR A  23      50.049  62.262 105.001  1.00 49.70           O
+ATOM    175  N   LYS A  24      51.570  62.782  99.377  1.00 32.41           N
+ATOM    176  CA  LYS A  24      52.760  63.595  99.615  1.00 35.84           C
+ATOM    177  C   LYS A  24      53.410  64.030  98.300  1.00 34.25           C
+ATOM    178  O   LYS A  24      53.817  65.183  98.153  1.00 38.18           O
+ATOM    179  CB  LYS A  24      53.752  62.877 100.547  1.00 36.24           C
+ATOM    180  CG  LYS A  24      53.187  62.688 101.953  1.00 37.77           C
+ATOM    181  CD  LYS A  24      54.192  62.090 102.934  1.00 40.54           C
+ATOM    182  CE  LYS A  24      53.519  61.862 104.288  1.00 50.81           C
+ATOM    183  NZ  LYS A  24      54.298  60.990 105.212  1.00 58.42           N
+ATOM    184  N   ASN A  25      53.473  63.114  97.337  1.00 33.09           N
+ATOM    185  CA  ASN A  25      54.018  63.420  96.016  1.00 35.16           C
+ATOM    186  C   ASN A  25      53.146  64.414  95.253  1.00 35.93           C
+ATOM    187  O   ASN A  25      53.644  65.262  94.512  1.00 33.47           O
+ATOM    188  CB  ASN A  25      54.138  62.146  95.179  1.00 38.38           C
+ATOM    189  CG  ASN A  25      55.339  61.307  95.561  1.00 50.48           C
+ATOM    190  OD1 ASN A  25      56.365  61.836  95.982  1.00 49.77           O
+ATOM    191  ND2 ASN A  25      55.220  59.992  95.404  1.00 49.86           N
+ATOM    192  N   VAL A  26      51.837  64.285  95.416  1.00 27.55           N
+ATOM    193  CA  VAL A  26      50.914  65.185  94.731  1.00 26.50           C
+ATOM    194  C   VAL A  26      51.148  66.606  95.214  1.00 32.27           C
+ATOM    195  O   VAL A  26      51.285  67.528  94.410  1.00 32.89           O
+ATOM    196  CB  VAL A  26      49.435  64.766  94.931  1.00 26.17           C
+ATOM    197  CG1 VAL A  26      48.480  65.853  94.396  1.00 23.92           C
+ATOM    198  CG2 VAL A  26      49.168  63.432  94.247  1.00 25.93           C
+ATOM    199  N   PHE A  27      51.205  66.784  96.531  1.00 29.78           N
+ATOM    200  CA  PHE A  27      51.488  68.098  97.079  1.00 30.95           C
+ATOM    201  C   PHE A  27      52.800  68.694  96.572  1.00 34.02           C
+ATOM    202  O   PHE A  27      52.881  69.894  96.324  1.00 41.73           O
+ATOM    203  CB  PHE A  27      51.436  68.087  98.607  1.00 33.86           C
+ATOM    204  CG  PHE A  27      50.067  68.367  99.156  1.00 31.55           C
+ATOM    205  CD1 PHE A  27      49.679  69.668  99.459  1.00 30.02           C
+ATOM    206  CD2 PHE A  27      49.164  67.339  99.346  1.00 27.13           C
+ATOM    207  CE1 PHE A  27      48.421  69.932  99.952  1.00 29.70           C
+ATOM    208  CE2 PHE A  27      47.896  67.596  99.846  1.00 29.89           C
+ATOM    209  CZ  PHE A  27      47.528  68.899 100.144  1.00 29.08           C
+ATOM    210  N   LYS A  28      53.822  67.864  96.398  1.00 36.46           N
+ATOM    211  CA  LYS A  28      55.112  68.377  95.940  1.00 36.04           C
+ATOM    212  C   LYS A  28      55.059  68.879  94.506  1.00 37.09           C
+ATOM    213  O   LYS A  28      55.754  69.828  94.153  1.00 47.81           O
+ATOM    214  CB  LYS A  28      56.212  67.319  96.086  1.00 42.61           C
+ATOM    215  CG  LYS A  28      56.629  67.072  97.525  1.00 53.49           C
+ATOM    216  CD  LYS A  28      57.598  65.900  97.639  1.00 56.85           C
+ATOM    217  CE  LYS A  28      57.948  65.608  99.096  1.00 70.22           C
+ATOM    218  NZ  LYS A  28      58.814  64.401  99.230  1.00 75.23           N
+ATOM    219  N   LYS A  29      54.226  68.243  93.689  1.00 33.46           N
+ATOM    220  CA  LYS A  29      54.170  68.529  92.257  1.00 33.64           C
+ATOM    221  C   LYS A  29      53.503  69.866  91.896  1.00 38.10           C
+ATOM    222  O   LYS A  29      53.875  70.504  90.916  1.00 33.41           O
+ATOM    223  CB  LYS A  29      53.457  67.389  91.524  1.00 30.95           C
+ATOM    224  CG  LYS A  29      53.248  67.635  90.029  1.00 39.97           C
+ATOM    225  CD  LYS A  29      52.562  66.461  89.342  1.00 36.19           C
+ATOM    226  CE  LYS A  29      52.409  66.713  87.850  1.00 47.24           C
+ATOM    227  NZ  LYS A  29      51.627  65.636  87.182  1.00 49.21           N
+ATOM    228  N   TYR A  30      52.513  70.285  92.677  1.00 37.66           N
+ATOM    229  CA  TYR A  30      51.707  71.449  92.308  1.00 31.96           C
+ATOM    230  C   TYR A  30      51.890  72.605  93.282  1.00 30.05           C
+ATOM    231  O   TYR A  30      52.005  72.385  94.477  1.00 38.82           O
+ATOM    232  CB  TYR A  30      50.230  71.063  92.279  1.00 28.99           C
+ATOM    233  CG  TYR A  30      49.873  70.032  91.230  1.00 25.69           C
+ATOM    234  CD1 TYR A  30      49.763  70.392  89.899  1.00 28.86           C
+ATOM    235  CD2 TYR A  30      49.639  68.706  91.574  1.00 28.31           C
+ATOM    236  CE1 TYR A  30      49.424  69.467  88.930  1.00 30.67           C
+ATOM    237  CE2 TYR A  30      49.297  67.767  90.605  1.00 31.74           C
+ATOM    238  CZ  TYR A  30      49.198  68.163  89.280  1.00 31.45           C
+ATOM    239  OH  TYR A  30      48.861  67.269  88.292  1.00 36.12           O
+ATOM    240  N   GLU A  31      51.891  73.836  92.775  1.00 38.36           N
+ATOM    241  CA  GLU A  31      51.955  74.999  93.662  1.00 40.71           C
+ATOM    242  C   GLU A  31      50.602  75.290  94.297  1.00 30.95           C
+ATOM    243  O   GLU A  31      50.520  75.797  95.425  1.00 31.04           O
+ATOM    244  CB  GLU A  31      52.424  76.250  92.927  0.74 35.81           C
+ATOM    245  CG  GLU A  31      52.711  77.401  93.888  0.66 41.88           C
+ATOM    246  CD  GLU A  31      52.509  78.768  93.266  0.26 39.68           C
+ATOM    247  OE1 GLU A  31      52.224  79.715  94.032  1.00 42.58           O
+ATOM    248  OE2 GLU A  31      52.636  78.897  92.026  1.00 43.90           O
+ATOM    249  N   VAL A  32      49.544  74.995  93.547  1.00 25.19           N
+ATOM    250  CA  VAL A  32      48.187  75.149  94.040  1.00 25.01           C
+ATOM    251  C   VAL A  32      47.468  73.828  93.765  1.00 23.60           C
+ATOM    252  O   VAL A  32      47.550  73.275  92.670  1.00 24.69           O
+ATOM    253  CB  VAL A  32      47.469  76.349  93.365  1.00 21.14           C
+ATOM    254  CG1 VAL A  32      46.018  76.425  93.810  1.00 20.40           C
+ATOM    255  CG2 VAL A  32      48.191  77.656  93.712  1.00 26.05           C
+ATOM    256  N   LEU A  33      46.800  73.313  94.779  1.00 20.74           N
+ATOM    257  CA  LEU A  33      46.103  72.037  94.676  1.00 24.92           C
+ATOM    258  C   LEU A  33      44.661  72.218  95.136  1.00 21.30           C
+ATOM    259  O   LEU A  33      44.406  72.745  96.215  1.00 25.57           O
+ATOM    260  CB  LEU A  33      46.825  70.996  95.549  1.00 26.82           C
+ATOM    261  CG  LEU A  33      46.355  69.541  95.535  1.00 29.87           C
+ATOM    262  CD1 LEU A  33      46.427  68.956  94.118  1.00 26.35           C
+ATOM    263  CD2 LEU A  33      47.207  68.724  96.508  1.00 26.78           C
+ATOM    264  N   ALA A  34      43.720  71.798  94.303  1.00 20.30           N
+ATOM    265  CA  ALA A  34      42.306  71.802  94.661  1.00 19.67           C
+ATOM    266  C   ALA A  34      41.866  70.366  94.879  1.00 22.99           C
+ATOM    267  O   ALA A  34      41.959  69.548  93.961  1.00 18.86           O
+ATOM    268  CB  ALA A  34      41.481  72.426  93.551  1.00 17.69           C
+ATOM    269  N   LEU A  35      41.379  70.064  96.081  1.00 19.96           N
+ATOM    270  CA  LEU A  35      40.943  68.712  96.416  1.00 18.24           C
+ATOM    271  C   LEU A  35      39.471  68.717  96.753  1.00 18.84           C
+ATOM    272  O   LEU A  35      39.044  69.480  97.623  1.00 23.16           O
+ATOM    273  CB  LEU A  35      41.705  68.182  97.633  1.00 16.64           C
+ATOM    274  CG  LEU A  35      43.214  68.018  97.500  1.00 17.55           C
+ATOM    275  CD1 LEU A  35      43.752  67.383  98.795  1.00 23.74           C
+ATOM    276  CD2 LEU A  35      43.469  67.108  96.298  1.00 19.06           C
+ATOM    277  N   LEU A  36      38.708  67.871  96.064  1.00 16.42           N
+ATOM    278  CA  LEU A  36      37.316  67.623  96.410  1.00 21.20           C
+ATOM    279  C   LEU A  36      37.249  66.464  97.409  1.00 22.41           C
+ATOM    280  O   LEU A  36      37.575  65.326  97.083  1.00 21.66           O
+ATOM    281  CB  LEU A  36      36.487  67.262  95.180  1.00 18.20           C
+ATOM    282  CG  LEU A  36      35.045  66.822  95.458  1.00 20.35           C
+ATOM    283  CD1 LEU A  36      34.279  67.859  96.281  1.00 23.85           C
+ATOM    284  CD2 LEU A  36      34.309  66.485  94.153  1.00 21.36           C
+ATOM    285  N   TYR A  37      36.807  66.782  98.616  1.00 22.25           N
+ATOM    286  CA  TYR A  37      36.540  65.789  99.641  1.00 26.80           C
+ATOM    287  C   TYR A  37      35.111  65.279  99.453  1.00 32.84           C
+ATOM    288  O   TYR A  37      34.160  66.031  99.632  1.00 32.95           O
+ATOM    289  CB  TYR A  37      36.742  66.435 101.012  1.00 27.15           C
+ATOM    290  CG  TYR A  37      36.400  65.554 102.194  1.00 32.90           C
+ATOM    291  CD1 TYR A  37      37.111  64.382 102.441  1.00 30.92           C
+ATOM    292  CD2 TYR A  37      35.386  65.910 103.084  1.00 36.88           C
+ATOM    293  CE1 TYR A  37      36.808  63.575 103.527  1.00 29.43           C
+ATOM    294  CE2 TYR A  37      35.075  65.109 104.178  1.00 41.83           C
+ATOM    295  CZ  TYR A  37      35.793  63.943 104.397  1.00 38.88           C
+ATOM    296  OH  TYR A  37      35.492  63.139 105.476  1.00 35.60           O
+ATOM    297  N   HIS A  38      34.958  64.015  99.061  1.00 26.26           N
+ATOM    298  CA  HIS A  38      33.640  63.485  98.696  1.00 28.16           C
+ATOM    299  C   HIS A  38      33.321  62.149  99.361  1.00 34.56           C
+ATOM    300  O   HIS A  38      34.207  61.483  99.903  1.00 31.79           O
+ATOM    301  CB  HIS A  38      33.547  63.295  97.190  1.00 27.34           C
+ATOM    302  CG  HIS A  38      34.434  62.208  96.670  1.00 30.38           C
+ATOM    303  ND1 HIS A  38      34.022  60.897  96.567  1.00 31.78           N
+ATOM    304  CD2 HIS A  38      35.716  62.233  96.235  1.00 30.03           C
+ATOM    305  CE1 HIS A  38      35.008  60.161  96.082  1.00 33.86           C
+ATOM    306  NE2 HIS A  38      36.048  60.947  95.872  1.00 34.19           N
+ATOM    307  N   GLU A  39      32.050  61.754  99.292  1.00 34.08           N
+ATOM    308  CA  GLU A  39      31.592  60.521  99.913  1.00 29.35           C
+ATOM    309  C   GLU A  39      31.714  59.356  98.951  1.00 44.77           C
+ATOM    310  O   GLU A  39      31.675  59.541  97.737  1.00 49.80           O
+ATOM    311  CB  GLU A  39      30.141  60.668 100.374  1.00 43.16           C
+ATOM    312  CG  GLU A  39      29.954  61.760 101.412  1.00 27.81           C
+ATOM    313  CD  GLU A  39      30.788  61.506 102.650  1.00 45.62           C
+ATOM    314  OE1 GLU A  39      31.427  62.459 103.157  1.00 38.94           O
+ATOM    315  OE2 GLU A  39      30.808  60.339 103.111  1.00 42.57           O
+ATOM    316  N   PRO A  40      31.879  58.140  99.488  1.00 50.98           N
+ATOM    317  CA  PRO A  40      31.950  56.973  98.599  1.00 50.24           C
+ATOM    318  C   PRO A  40      30.670  56.864  97.777  1.00 40.44           C
+ATOM    319  O   PRO A  40      29.658  57.456  98.159  1.00 48.21           O
+ATOM    320  CB  PRO A  40      32.104  55.789  99.567  1.00 49.93           C
+ATOM    321  CG  PRO A  40      31.687  56.322 100.915  1.00 47.57           C
+ATOM    322  CD  PRO A  40      32.012  57.781 100.909  1.00 41.54           C
+ATOM    323  N   PRO A  41      30.721  56.147  96.643  1.00 50.10           N
+ATOM    324  CA  PRO A  41      29.576  56.005  95.732  1.00 50.01           C
+ATOM    325  C   PRO A  41      28.347  55.394  96.406  1.00 52.52           C
+ATOM    326  O   PRO A  41      28.449  54.323  97.011  1.00 53.86           O
+ATOM    327  CB  PRO A  41      30.108  55.051  94.656  1.00 53.02           C
+ATOM    328  CG  PRO A  41      31.587  55.259  94.672  1.00 51.29           C
+ATOM    329  CD  PRO A  41      31.936  55.505  96.108  1.00 48.74           C
+ATOM    330  N   GLU A  42      27.209  56.076  96.302  1.00 49.00           N
+ATOM    331  CA  GLU A  42      25.931  55.547  96.775  1.00 47.13           C
+ATOM    332  C   GLU A  42      25.304  54.637  95.726  1.00 53.08           C
+ATOM    333  O   GLU A  42      25.731  54.613  94.567  1.00 53.62           O
+ATOM    334  CB  GLU A  42      24.965  56.679  97.129  1.00 45.21           C
+ATOM    335  CG  GLU A  42      25.326  57.441  98.394  1.00 53.35           C
+ATOM    336  CD  GLU A  42      25.203  56.589  99.652  1.00 69.22           C
+ATOM    337  OE1 GLU A  42      25.710  57.012 100.714  1.00 69.95           O
+ATOM    338  OE2 GLU A  42      24.594  55.498  99.582  1.00 76.46           O
+ATOM    339  N   ASP A  43      24.290  53.885  96.132  1.00 51.69           N
+ATOM    340  CA  ASP A  43      23.680  52.906  95.247  1.00 53.57           C
+ATOM    341  C   ASP A  43      22.751  53.552  94.229  1.00 49.21           C
+ATOM    342  O   ASP A  43      22.480  52.972  93.175  1.00 44.99           O
+ATOM    343  CB  ASP A  43      22.911  51.861  96.057  1.00 70.22           C
+ATOM    344  CG  ASP A  43      23.826  50.878  96.751  1.00 85.34           C
+ATOM    345  OD1 ASP A  43      25.058  51.097  96.727  1.00 83.00           O
+ATOM    346  OD2 ASP A  43      23.315  49.891  97.324  1.00 91.31           O
+ATOM    347  N   ASP A  44      22.262  54.747  94.541  1.00 41.54           N
+ATOM    348  CA  ASP A  44      21.233  55.347  93.709  1.00 33.53           C
+ATOM    349  C   ASP A  44      21.818  56.103  92.514  1.00 38.83           C
+ATOM    350  O   ASP A  44      22.847  56.777  92.617  1.00 28.86           O
+ATOM    351  CB  ASP A  44      20.309  56.237  94.537  1.00 35.10           C
+ATOM    352  CG  ASP A  44      20.990  57.487  95.016  1.00 39.69           C
+ATOM    353  OD1 ASP A  44      21.924  57.379  95.838  1.00 42.49           O
+ATOM    354  OD2 ASP A  44      20.583  58.580  94.572  1.00 38.25           O
+ATOM    355  N   LYS A  45      21.150  55.964  91.377  1.00 38.56           N
+ATOM    356  CA  LYS A  45      21.593  56.587  90.145  1.00 37.31           C
+ATOM    357  C   LYS A  45      21.762  58.101  90.289  1.00 29.86           C
+ATOM    358  O   LYS A  45      22.754  58.664  89.837  1.00 29.68           O
+ATOM    359  CB  LYS A  45      20.601  56.298  89.023  1.00 42.78           C
+ATOM    360  CG  LYS A  45      21.046  56.899  87.705  1.00 55.73           C
+ATOM    361  CD  LYS A  45      19.974  56.814  86.634  1.00 57.54           C
+ATOM    362  CE  LYS A  45      20.439  57.555  85.402  1.00 45.33           C
+ATOM    363  NZ  LYS A  45      21.841  57.159  85.062  1.00 55.31           N
+ATOM    364  N   ALA A  46      20.788  58.753  90.909  1.00 25.04           N
+ATOM    365  CA  ALA A  46      20.825  60.208  91.055  1.00 29.00           C
+ATOM    366  C   ALA A  46      22.107  60.702  91.716  1.00 27.68           C
+ATOM    367  O   ALA A  46      22.743  61.623  91.216  1.00 22.76           O
+ATOM    368  CB  ALA A  46      19.594  60.715  91.805  1.00 32.46           C
+ATOM    369  N   SER A  47      22.491  60.094  92.834  1.00 27.64           N
+ATOM    370  CA  SER A  47      23.711  60.491  93.541  1.00 29.47           C
+ATOM    371  C   SER A  47      24.923  60.316  92.657  1.00 25.10           C
+ATOM    372  O   SER A  47      25.851  61.135  92.670  1.00 24.09           O
+ATOM    373  CB  SER A  47      23.905  59.654  94.817  1.00 29.98           C
+ATOM    374  OG  SER A  47      22.847  59.894  95.724  1.00 46.91           O
+ATOM    375  N   GLN A  48      24.929  59.220  91.905  1.00 23.99           N
+ATOM    376  CA  GLN A  48      26.061  58.899  91.058  1.00 26.18           C
+ATOM    377  C   GLN A  48      26.207  59.924  89.939  1.00 21.98           C
+ATOM    378  O   GLN A  48      27.311  60.335  89.603  1.00 22.30           O
+ATOM    379  CB  GLN A  48      25.896  57.497  90.474  1.00 25.67           C
+ATOM    380  CG  GLN A  48      25.989  56.409  91.533  1.00 37.09           C
+ATOM    381  CD  GLN A  48      25.564  55.052  91.014  1.00 47.48           C
+ATOM    382  OE1 GLN A  48      25.152  54.183  91.782  1.00 50.66           O
+ATOM    383  NE2 GLN A  48      25.661  54.862  89.704  1.00 42.44           N
+ATOM    384  N   ARG A  49      25.085  60.313  89.363  1.00 22.00           N
+ATOM    385  CA  ARG A  49      25.086  61.344  88.332  1.00 27.85           C
+ATOM    386  C   ARG A  49      25.562  62.700  88.876  1.00 22.24           C
+ATOM    387  O   ARG A  49      26.297  63.413  88.205  1.00 20.47           O
+ATOM    388  CB  ARG A  49      23.696  61.465  87.720  1.00 20.77           C
+ATOM    389  CG  ARG A  49      23.280  60.240  86.906  1.00 26.26           C
+ATOM    390  CD  ARG A  49      24.001  60.233  85.553  1.00 26.66           C
+ATOM    391  NE  ARG A  49      23.231  60.967  84.554  1.00 21.38           N
+ATOM    392  CZ  ARG A  49      23.714  61.411  83.399  1.00 24.97           C
+ATOM    393  NH1 ARG A  49      24.981  61.214  83.088  1.00 21.49           N
+ATOM    394  NH2 ARG A  49      22.919  62.056  82.551  1.00 25.76           N
+ATOM    395  N   GLN A  50      25.092  63.077  90.064  1.00 19.51           N
+ATOM    396  CA  GLN A  50      25.569  64.305  90.695  1.00 21.90           C
+ATOM    397  C   GLN A  50      27.092  64.276  90.828  1.00 23.83           C
+ATOM    398  O   GLN A  50      27.774  65.265  90.557  1.00 22.74           O
+ATOM    399  CB  GLN A  50      24.927  64.489  92.075  1.00 19.40           C
+ATOM    400  CG  GLN A  50      23.441  64.788  92.025  1.00 22.09           C
+ATOM    401  CD  GLN A  50      22.845  64.835  93.414  1.00 30.09           C
+ATOM    402  OE1 GLN A  50      23.017  63.899  94.194  1.00 29.11           O
+ATOM    403  NE2 GLN A  50      22.172  65.933  93.743  1.00 25.17           N
+ATOM    404  N   PHE A  51      27.636  63.144  91.257  1.00 22.73           N
+ATOM    405  CA  PHE A  51      29.082  63.060  91.429  1.00 23.97           C
+ATOM    406  C   PHE A  51      29.799  63.103  90.089  1.00 20.40           C
+ATOM    407  O   PHE A  51      30.855  63.726  89.965  1.00 21.55           O
+ATOM    408  CB  PHE A  51      29.506  61.797  92.187  1.00 25.13           C
+ATOM    409  CG  PHE A  51      30.988  61.654  92.301  1.00 30.65           C
+ATOM    410  CD1 PHE A  51      31.684  62.348  93.272  1.00 33.09           C
+ATOM    411  CD2 PHE A  51      31.695  60.868  91.401  1.00 28.82           C
+ATOM    412  CE1 PHE A  51      33.051  62.242  93.363  1.00 32.76           C
+ATOM    413  CE2 PHE A  51      33.067  60.749  91.492  1.00 31.42           C
+ATOM    414  CZ  PHE A  51      33.745  61.439  92.472  1.00 38.24           C
+ATOM    415  N   GLU A  52      29.223  62.428  89.099  1.00 19.72           N
+ATOM    416  CA  GLU A  52      29.774  62.398  87.753  1.00 19.98           C
+ATOM    417  C   GLU A  52      29.913  63.828  87.196  1.00 19.47           C
+ATOM    418  O   GLU A  52      30.933  64.182  86.584  1.00 17.28           O
+ATOM    419  CB  GLU A  52      28.847  61.552  86.864  1.00 20.41           C
+ATOM    420  CG  GLU A  52      29.287  61.376  85.427  1.00 22.28           C
+ATOM    421  CD  GLU A  52      28.220  60.659  84.591  1.00 29.74           C
+ATOM    422  OE1 GLU A  52      27.104  60.454  85.088  1.00 32.40           O
+ATOM    423  OE2 GLU A  52      28.484  60.307  83.433  1.00 29.37           O
+ATOM    424  N   MET A  53      28.888  64.644  87.418  1.00 21.93           N
+ATOM    425  CA AMET A  53      28.917  66.027  86.947  0.45 20.04           C
+ATOM    426  CA BMET A  53      28.888  66.038  86.987  0.55 20.03           C
+ATOM    427  C   MET A  53      29.986  66.839  87.676  1.00 20.91           C
+ATOM    428  O   MET A  53      30.775  67.530  87.035  1.00 18.75           O
+ATOM    429  CB AMET A  53      27.542  66.702  87.058  0.45 20.38           C
+ATOM    430  CB BMET A  53      27.544  66.679  87.307  0.55 20.46           C
+ATOM    431  CG AMET A  53      27.501  68.098  86.425  0.45 22.18           C
+ATOM    432  CG BMET A  53      27.562  68.175  87.134  0.55 20.21           C
+ATOM    433  SD AMET A  53      25.955  69.026  86.616  0.45 24.60           S
+ATOM    434  SD BMET A  53      27.489  68.556  85.386  0.55 20.69           S
+ATOM    435  CE AMET A  53      24.857  68.175  85.487  0.45 17.94           C
+ATOM    436  CE BMET A  53      25.700  68.630  85.219  0.55 23.85           C
+ATOM    437  N   GLU A  54      30.021  66.761  89.005  1.00 19.01           N
+ATOM    438  CA  GLU A  54      31.050  67.480  89.754  1.00 21.78           C
+ATOM    439  C   GLU A  54      32.446  67.084  89.288  1.00 25.17           C
+ATOM    440  O   GLU A  54      33.321  67.940  89.140  1.00 18.28           O
+ATOM    441  CB  GLU A  54      30.940  67.220  91.263  1.00 21.62           C
+ATOM    442  CG  GLU A  54      29.774  67.927  91.928  1.00 27.26           C
+ATOM    443  CD  GLU A  54      29.772  67.760  93.448  1.00 38.18           C
+ATOM    444  OE1 GLU A  54      30.458  66.847  93.971  1.00 32.12           O
+ATOM    445  OE2 GLU A  54      29.082  68.553  94.117  1.00 34.85           O
+ATOM    446  N   GLU A  55      32.678  65.786  89.084  1.00 17.83           N
+ATOM    447  CA  GLU A  55      34.031  65.363  88.726  1.00 18.59           C
+ATOM    448  C   GLU A  55      34.432  65.884  87.335  1.00 16.84           C
+ATOM    449  O   GLU A  55      35.580  66.251  87.101  1.00 17.39           O
+ATOM    450  CB  GLU A  55      34.181  63.836  88.805  1.00 20.34           C
+ATOM    451  CG  GLU A  55      35.642  63.370  88.783  1.00 24.42           C
+ATOM    452  CD  GLU A  55      36.214  63.244  87.387  1.00 24.32           C
+ATOM    453  OE1 GLU A  55      35.427  63.138  86.421  1.00 22.51           O
+ATOM    454  OE2 GLU A  55      37.456  63.246  87.263  1.00 24.32           O
+ATOM    455  N   LEU A  56      33.479  65.903  86.412  1.00 17.74           N
+ATOM    456  CA  LEU A  56      33.740  66.431  85.071  1.00 16.69           C
+ATOM    457  C   LEU A  56      33.989  67.950  85.099  1.00 15.78           C
+ATOM    458  O   LEU A  56      34.801  68.478  84.345  1.00 16.71           O
+ATOM    459  CB  LEU A  56      32.569  66.096  84.144  1.00 19.26           C
+ATOM    460  CG  LEU A  56      32.682  64.704  83.502  1.00 21.34           C
+ATOM    461  CD1 LEU A  56      31.365  64.262  82.890  1.00 21.92           C
+ATOM    462  CD2 LEU A  56      33.776  64.736  82.467  1.00 20.03           C
+ATOM    463  N   ILE A  57      33.282  68.649  85.970  1.00 15.43           N
+ATOM    464  CA  ILE A  57      33.550  70.077  86.151  1.00 19.28           C
+ATOM    465  C   ILE A  57      35.008  70.287  86.567  1.00 17.89           C
+ATOM    466  O   ILE A  57      35.703  71.140  86.001  1.00 14.89           O
+ATOM    467  CB  ILE A  57      32.536  70.721  87.136  1.00 16.75           C
+ATOM    468  CG1 ILE A  57      31.155  70.801  86.459  1.00 17.47           C
+ATOM    469  CG2 ILE A  57      33.070  72.087  87.643  1.00 16.62           C
+ATOM    470  CD1 ILE A  57      30.002  71.132  87.404  1.00 16.58           C
+ATOM    471  N   LEU A  58      35.483  69.475  87.517  1.00 15.61           N
+ATOM    472  CA  LEU A  58      36.891  69.494  87.900  1.00 18.22           C
+ATOM    473  C   LEU A  58      37.797  69.162  86.725  1.00 15.12           C
+ATOM    474  O   LEU A  58      38.845  69.772  86.565  1.00 17.66           O
+ATOM    475  CB  LEU A  58      37.169  68.541  89.070  1.00 18.83           C
+ATOM    476  CG  LEU A  58      36.458  68.916  90.374  1.00 23.58           C
+ATOM    477  CD1 LEU A  58      36.740  67.874  91.482  1.00 21.68           C
+ATOM    478  CD2 LEU A  58      36.853  70.320  90.821  1.00 19.90           C
+ATOM    479  N   GLU A  59      37.384  68.202  85.898  1.00 18.48           N
+ATOM    480  CA  GLU A  59      38.197  67.844  84.741  1.00 16.15           C
+ATOM    481  C   GLU A  59      38.367  69.038  83.823  1.00 14.84           C
+ATOM    482  O   GLU A  59      39.458  69.291  83.328  1.00 18.66           O
+ATOM    483  CB  GLU A  59      37.578  66.678  83.960  1.00 17.30           C
+ATOM    484  CG  GLU A  59      37.571  65.337  84.718  1.00 18.27           C
+ATOM    485  CD  GLU A  59      38.948  64.689  84.856  1.00 23.28           C
+ATOM    486  OE1 GLU A  59      39.962  65.240  84.365  1.00 19.48           O
+ATOM    487  OE2 GLU A  59      39.016  63.605  85.479  1.00 20.98           O
+ATOM    488  N   LEU A  60      37.282  69.774  83.593  1.00 16.29           N
+ATOM    489  CA  LEU A  60      37.354  70.908  82.687  1.00 15.63           C
+ATOM    490  C   LEU A  60      38.325  71.959  83.245  1.00 18.34           C
+ATOM    491  O   LEU A  60      39.183  72.474  82.534  1.00 15.67           O
+ATOM    492  CB  LEU A  60      35.962  71.498  82.483  1.00 17.00           C
+ATOM    493  CG  LEU A  60      35.832  72.628  81.462  1.00 21.75           C
+ATOM    494  CD1 LEU A  60      36.510  72.219  80.160  1.00 19.09           C
+ATOM    495  CD2 LEU A  60      34.358  72.996  81.238  1.00 18.98           C
+ATOM    496  N   ALA A  61      38.175  72.287  84.523  1.00 17.92           N
+ATOM    497  CA  ALA A  61      39.087  73.223  85.171  1.00 16.99           C
+ATOM    498  C   ALA A  61      40.532  72.721  85.096  1.00 18.37           C
+ATOM    499  O   ALA A  61      41.463  73.506  84.897  1.00 18.50           O
+ATOM    500  CB  ALA A  61      38.670  73.431  86.618  1.00 17.20           C
+ATOM    501  N   ALA A  62      40.721  71.416  85.300  1.00 16.69           N
+ATOM    502  CA  ALA A  62      42.058  70.830  85.290  1.00 18.74           C
+ATOM    503  C   ALA A  62      42.698  70.988  83.918  1.00 17.06           C
+ATOM    504  O   ALA A  62      43.890  71.257  83.826  1.00 16.48           O
+ATOM    505  CB  ALA A  62      42.001  69.337  85.683  1.00 16.98           C
+ATOM    506  N   GLN A  63      41.898  70.830  82.858  1.00 18.32           N
+ATOM    507  CA  GLN A  63      42.427  70.985  81.501  1.00 17.51           C
+ATOM    508  C   GLN A  63      42.828  72.421  81.254  1.00 16.89           C
+ATOM    509  O   GLN A  63      43.927  72.690  80.766  1.00 18.07           O
+ATOM    510  CB  GLN A  63      41.428  70.522  80.432  1.00 19.56           C
+ATOM    511  CG  GLN A  63      41.960  70.723  79.014  1.00 18.85           C
+ATOM    512  CD  GLN A  63      41.059  70.126  77.933  1.00 21.00           C
+ATOM    513  OE1 GLN A  63      40.151  69.349  78.211  1.00 20.90           O
+ATOM    514  NE2 GLN A  63      41.321  70.494  76.688  1.00 21.44           N
+ATOM    515  N   VAL A  64      41.935  73.344  81.603  1.00 15.80           N
+ATOM    516  CA  VAL A  64      42.222  74.766  81.463  1.00 17.30           C
+ATOM    517  C   VAL A  64      43.477  75.209  82.227  1.00 19.71           C
+ATOM    518  O   VAL A  64      44.307  75.987  81.722  1.00 18.79           O
+ATOM    519  CB  VAL A  64      41.019  75.628  81.885  1.00 17.90           C
+ATOM    520  CG1 VAL A  64      41.419  77.116  81.954  1.00 16.41           C
+ATOM    521  CG2 VAL A  64      39.857  75.401  80.932  1.00 18.25           C
+ATOM    522  N   LEU A  65      43.626  74.713  83.443  1.00 12.73           N
+ATOM    523  CA  LEU A  65      44.706  75.202  84.289  1.00 16.02           C
+ATOM    524  C   LEU A  65      45.950  74.314  84.296  1.00 21.20           C
+ATOM    525  O   LEU A  65      46.849  74.509  85.119  1.00 19.33           O
+ATOM    526  CB  LEU A  65      44.179  75.407  85.711  1.00 18.60           C
+ATOM    527  CG  LEU A  65      43.220  76.597  85.800  1.00 17.34           C
+ATOM    528  CD1 LEU A  65      42.674  76.696  87.218  1.00 22.15           C
+ATOM    529  CD2 LEU A  65      43.963  77.874  85.409  1.00 20.22           C
+ATOM    530  N   GLU A  66      46.019  73.363  83.367  1.00 20.73           N
+ATOM    531  CA  GLU A  66      47.142  72.416  83.351  1.00 22.43           C
+ATOM    532  C   GLU A  66      48.504  73.107  83.232  1.00 25.21           C
+ATOM    533  O   GLU A  66      49.451  72.775  83.941  1.00 21.24           O
+ATOM    534  CB  GLU A  66      46.972  71.413  82.206  1.00 24.56           C
+ATOM    535  CG  GLU A  66      48.084  70.380  82.115  1.00 33.31           C
+ATOM    536  CD  GLU A  66      47.707  69.214  81.213  1.00 28.61           C
+ATOM    537  OE1 GLU A  66      47.515  69.431  80.001  1.00 35.73           O
+ATOM    538  OE2 GLU A  66      47.561  68.093  81.733  1.00 40.66           O
+ATOM    539  N   ASP A  67      48.600  74.056  82.315  1.00 22.23           N
+ATOM    540  CA AASP A  67      49.849  74.759  82.040  0.54 24.55           C
+ATOM    541  CA BASP A  67      49.865  74.741  82.061  0.46 24.54           C
+ATOM    542  C   ASP A  67      50.295  75.641  83.210  1.00 30.11           C
+ATOM    543  O   ASP A  67      51.476  75.907  83.382  1.00 26.86           O
+ATOM    544  CB AASP A  67      49.682  75.591  80.756  0.54 25.27           C
+ATOM    545  CB BASP A  67      49.787  75.559  80.770  0.46 25.29           C
+ATOM    546  CG AASP A  67      50.911  76.408  80.411  0.54 28.25           C
+ATOM    547  CG BASP A  67      49.715  74.691  79.537  0.46 28.35           C
+ATOM    548  OD1AASP A  67      51.875  75.837  79.862  0.54 32.25           O
+ATOM    549  OD1BASP A  67      50.339  73.609  79.535  0.46 36.55           O
+ATOM    550  OD2AASP A  67      50.906  77.629  80.670  0.54 29.27           O
+ATOM    551  OD2BASP A  67      49.039  75.097  78.569  0.46 31.70           O
+ATOM    552  N   LYS A  68      49.339  76.101  84.008  1.00 20.43           N
+ATOM    553  CA  LYS A  68      49.649  76.981  85.128  1.00 21.56           C
+ATOM    554  C   LYS A  68      50.010  76.263  86.442  1.00 26.91           C
+ATOM    555  O   LYS A  68      50.207  76.898  87.469  1.00 29.82           O
+ATOM    556  CB  LYS A  68      48.512  77.973  85.324  1.00 24.27           C
+ATOM    557  CG  LYS A  68      48.527  79.031  84.214  1.00 26.98           C
+ATOM    558  CD  LYS A  68      47.651  80.209  84.507  1.00 34.24           C
+ATOM    559  CE  LYS A  68      47.787  81.277  83.407  1.00 27.69           C
+ATOM    560  NZ  LYS A  68      48.715  82.371  83.802  1.00 27.56           N
+ATOM    561  N   GLY A  69      50.091  74.942  86.401  1.00 27.13           N
+ATOM    562  CA  GLY A  69      50.543  74.185  87.562  1.00 31.31           C
+ATOM    563  C   GLY A  69      49.543  74.139  88.712  1.00 34.77           C
+ATOM    564  O   GLY A  69      49.906  74.164  89.896  1.00 31.49           O
+ATOM    565  N   VAL A  70      48.266  74.086  88.361  1.00 26.51           N
+ATOM    566  CA  VAL A  70      47.229  73.854  89.351  1.00 26.35           C
+ATOM    567  C   VAL A  70      46.787  72.417  89.194  1.00 26.56           C
+ATOM    568  O   VAL A  70      46.453  71.997  88.090  1.00 25.64           O
+ATOM    569  CB  VAL A  70      46.030  74.783  89.124  1.00 18.48           C
+ATOM    570  CG1 VAL A  70      44.980  74.567  90.210  1.00 19.36           C
+ATOM    571  CG2 VAL A  70      46.501  76.233  89.116  1.00 23.49           C
+ATOM    572  N   GLY A  71      46.793  71.667  90.293  1.00 23.67           N
+ATOM    573  CA  GLY A  71      46.399  70.272  90.264  1.00 22.80           C
+ATOM    574  C   GLY A  71      45.050  70.075  90.900  1.00 21.76           C
+ATOM    575  O   GLY A  71      44.633  70.886  91.713  1.00 22.66           O
+ATOM    576  N   PHE A  72      44.361  69.012  90.501  1.00 16.68           N
+ATOM    577  CA  PHE A  72      43.036  68.701  91.001  1.00 19.10           C
+ATOM    578  C   PHE A  72      42.998  67.252  91.446  1.00 20.85           C
+ATOM    579  O   PHE A  72      43.581  66.383  90.795  1.00 21.14           O
+ATOM    580  CB  PHE A  72      41.994  68.921  89.904  1.00 20.97           C
+ATOM    581  CG  PHE A  72      41.822  70.362  89.531  1.00 18.83           C
+ATOM    582  CD1 PHE A  72      42.754  70.988  88.712  1.00 18.73           C
+ATOM    583  CD2 PHE A  72      40.752  71.091  90.021  1.00 21.32           C
+ATOM    584  CE1 PHE A  72      42.604  72.327  88.351  1.00 20.00           C
+ATOM    585  CE2 PHE A  72      40.603  72.448  89.685  1.00 22.16           C
+ATOM    586  CZ  PHE A  72      41.535  73.055  88.852  1.00 15.81           C
+ATOM    587  N   GLY A  73      42.314  66.998  92.555  1.00 20.06           N
+ATOM    588  CA  GLY A  73      42.320  65.679  93.154  1.00 16.42           C
+ATOM    589  C   GLY A  73      41.051  65.359  93.899  1.00 20.95           C
+ATOM    590  O   GLY A  73      40.309  66.257  94.278  1.00 19.35           O
+ATOM    591  N   LEU A  74      40.814  64.068  94.119  1.00 17.00           N
+ATOM    592  CA  LEU A  74      39.625  63.596  94.813  1.00 17.74           C
+ATOM    593  C   LEU A  74      40.050  62.870  96.073  1.00 25.00           C
+ATOM    594  O   LEU A  74      40.941  62.024  96.032  1.00 22.06           O
+ATOM    595  CB  LEU A  74      38.881  62.607  93.934  1.00 22.88           C
+ATOM    596  CG  LEU A  74      38.358  63.158  92.619  1.00 22.89           C
+ATOM    597  CD1 LEU A  74      37.879  62.032  91.720  1.00 27.23           C
+ATOM    598  CD2 LEU A  74      37.240  64.174  92.874  1.00 30.48           C
+ATOM    599  N   VAL A  75      39.426  63.203  97.192  1.00 20.13           N
+ATOM    600  CA  VAL A  75      39.701  62.478  98.427  1.00 23.55           C
+ATOM    601  C   VAL A  75      38.407  61.870  98.942  1.00 25.68           C
+ATOM    602  O   VAL A  75      37.488  62.590  99.328  1.00 26.19           O
+ATOM    603  CB  VAL A  75      40.323  63.364  99.512  1.00 23.22           C
+ATOM    604  CG1 VAL A  75      40.574  62.533 100.776  1.00 26.88           C
+ATOM    605  CG2 VAL A  75      41.633  64.021  99.014  1.00 26.43           C
+ATOM    606  N   ASP A  76      38.363  60.541  98.929  1.00 26.47           N
+ATOM    607  CA  ASP A  76      37.202  59.742  99.314  1.00 29.15           C
+ATOM    608  C   ASP A  76      37.181  59.600 100.835  1.00 31.34           C
+ATOM    609  O   ASP A  76      38.169  59.191 101.451  1.00 24.61           O
+ATOM    610  CB  ASP A  76      37.282  58.376  98.600  1.00 25.06           C
+ATOM    611  CG  ASP A  76      36.074  57.475  98.865  1.00 31.75           C
+ATOM    612  OD1 ASP A  76      35.563  56.883  97.886  1.00 33.14           O
+ATOM    613  OD2 ASP A  76      35.662  57.329 100.035  1.00 29.34           O
+ATOM    614  N   SER A  77      36.061  59.976 101.441  1.00 31.61           N
+ATOM    615  CA  SER A  77      35.946  60.040 102.897  1.00 28.27           C
+ATOM    616  C   SER A  77      36.069  58.665 103.568  1.00 29.69           C
+ATOM    617  O   SER A  77      36.294  58.581 104.773  1.00 32.70           O
+ATOM    618  CB  SER A  77      34.604  60.662 103.289  1.00 29.28           C
+ATOM    619  OG  SER A  77      33.545  59.825 102.864  1.00 31.09           O
+ATOM    620  N   GLU A  78      35.903  57.600 102.789  1.00 35.26           N
+ATOM    621  CA  GLU A  78      36.014  56.237 103.315  1.00 37.68           C
+ATOM    622  C   GLU A  78      37.345  55.637 102.894  1.00 37.87           C
+ATOM    623  O   GLU A  78      38.204  55.350 103.730  1.00 39.13           O
+ATOM    624  CB  GLU A  78      34.859  55.382 102.794  1.00 40.86           C
+ATOM    625  CG  GLU A  78      34.752  53.978 103.370  1.00 51.71           C
+ATOM    626  CD  GLU A  78      33.461  53.283 102.944  1.00 60.77           C
+ATOM    627  OE1 GLU A  78      33.538  52.200 102.321  1.00 66.17           O
+ATOM    628  OE2 GLU A  78      32.368  53.825 103.228  1.00 61.47           O
+ATOM    629  N   LYS A  79      37.514  55.458 101.588  1.00 35.00           N
+ATOM    630  CA  LYS A  79      38.740  54.925 101.027  1.00 30.31           C
+ATOM    631  C   LYS A  79      39.970  55.742 101.457  1.00 36.38           C
+ATOM    632  O   LYS A  79      41.032  55.187 101.719  1.00 32.84           O
+ATOM    633  CB  LYS A  79      38.612  54.848  99.503  1.00 30.97           C
+ATOM    634  CG  LYS A  79      39.838  54.330  98.771  1.00 45.91           C
+ATOM    635  CD  LYS A  79      39.618  54.354  97.261  1.00 48.05           C
+ATOM    636  CE  LYS A  79      40.895  54.701  96.498  1.00 58.56           C
+ATOM    637  NZ  LYS A  79      41.297  56.133  96.629  1.00 35.56           N
+ATOM    638  N   ASP A  80      39.828  57.059 101.568  1.00 31.38           N
+ATOM    639  CA  ASP A  80      40.981  57.897 101.896  1.00 29.28           C
+ATOM    640  C   ASP A  80      40.833  58.617 103.222  1.00 30.09           C
+ATOM    641  O   ASP A  80      41.365  59.710 103.408  1.00 26.16           O
+ATOM    642  CB  ASP A  80      41.246  58.899 100.769  1.00 30.98           C
+ATOM    643  CG  ASP A  80      41.232  58.246  99.414  1.00 31.49           C
+ATOM    644  OD1 ASP A  80      41.972  57.261  99.239  1.00 32.46           O
+ATOM    645  OD2 ASP A  80      40.463  58.686  98.532  1.00 27.62           O
+ATOM    646  N   ALA A  81      40.114  57.996 104.151  1.00 30.53           N
+ATOM    647  CA  ALA A  81      39.859  58.606 105.454  1.00 28.88           C
+ATOM    648  C   ALA A  81      41.109  59.154 106.146  1.00 27.66           C
+ATOM    649  O   ALA A  81      41.065  60.201 106.786  1.00 29.39           O
+ATOM    650  CB  ALA A  81      39.132  57.617 106.361  1.00 30.33           C
+ATOM    651  N   ALA A  82      42.234  58.453 106.019  1.00 30.65           N
+ATOM    652  CA  ALA A  82      43.445  58.866 106.709  1.00 24.24           C
+ATOM    653  C   ALA A  82      44.086  60.106 106.101  1.00 29.92           C
+ATOM    654  O   ALA A  82      44.634  60.957 106.808  1.00 27.34           O
+ATOM    655  CB  ALA A  82      44.450  57.712 106.760  1.00 32.64           C
+ATOM    656  N   VAL A  83      44.030  60.208 104.780  1.00 28.64           N
+ATOM    657  CA  VAL A  83      44.527  61.398 104.119  1.00 30.28           C
+ATOM    658  C   VAL A  83      43.699  62.601 104.587  1.00 20.27           C
+ATOM    659  O   VAL A  83      44.250  63.657 104.896  1.00 28.68           O
+ATOM    660  CB  VAL A  83      44.440  61.252 102.592  1.00 27.86           C
+ATOM    661  CG1 VAL A  83      44.833  62.556 101.909  1.00 29.33           C
+ATOM    662  CG2 VAL A  83      45.333  60.094 102.119  1.00 31.55           C
+ATOM    663  N   ALA A  84      42.382  62.420 104.626  1.00 26.93           N
+ATOM    664  CA  ALA A  84      41.476  63.501 105.004  1.00 31.50           C
+ATOM    665  C   ALA A  84      41.847  63.989 106.389  1.00 39.00           C
+ATOM    666  O   ALA A  84      41.973  65.197 106.630  1.00 36.64           O
+ATOM    667  CB  ALA A  84      40.035  63.022 104.978  1.00 30.11           C
+ATOM    668  N   LYS A  85      42.041  63.032 107.294  1.00 38.56           N
+ATOM    669  CA  LYS A  85      42.449  63.339 108.659  1.00 35.15           C
+ATOM    670  C   LYS A  85      43.684  64.212 108.716  1.00 36.89           C
+ATOM    671  O   LYS A  85      43.684  65.221 109.407  1.00 44.26           O
+ATOM    672  CB  LYS A  85      42.657  62.057 109.470  1.00 39.99           C
+ATOM    673  CG  LYS A  85      41.796  61.998 110.724  1.00 39.51           C
+ATOM    674  CD  LYS A  85      41.909  60.664 111.438  1.00 32.24           C
+ATOM    675  CE  LYS A  85      41.030  60.639 112.694  1.00 42.08           C
+ATOM    676  NZ  LYS A  85      41.592  61.394 113.856  1.00 36.08           N
+ATOM    677  N   LYS A  86      44.732  63.840 107.984  1.00 32.43           N
+ATOM    678  CA  LYS A  86      45.988  64.580 108.028  1.00 33.07           C
+ATOM    679  C   LYS A  86      45.883  65.969 107.417  1.00 41.98           C
+ATOM    680  O   LYS A  86      46.636  66.871 107.788  1.00 36.14           O
+ATOM    681  CB  LYS A  86      47.108  63.811 107.313  1.00 40.86           C
+ATOM    682  CG  LYS A  86      47.555  62.535 108.017  0.71 41.92           C
+ATOM    683  CD  LYS A  86      48.653  62.803 109.043  0.96 49.50           C
+ATOM    684  CE  LYS A  86      48.116  63.426 110.323  0.74 45.21           C
+ATOM    685  NZ  LYS A  86      49.155  63.451 111.402  1.00 59.20           N
+ATOM    686  N   LEU A  87      44.967  66.127 106.462  1.00 38.43           N
+ATOM    687  CA  LEU A  87      44.828  67.377 105.715  1.00 38.07           C
+ATOM    688  C   LEU A  87      43.714  68.247 106.274  1.00 41.29           C
+ATOM    689  O   LEU A  87      43.530  69.380 105.843  1.00 42.81           O
+ATOM    690  CB  LEU A  87      44.557  67.089 104.232  1.00 31.01           C
+ATOM    691  CG  LEU A  87      45.702  66.412 103.468  1.00 27.51           C
+ATOM    692  CD1 LEU A  87      45.294  66.175 102.011  1.00 31.42           C
+ATOM    693  CD2 LEU A  87      46.963  67.241 103.541  1.00 29.28           C
+ATOM    694  N   GLY A  88      42.958  67.701 107.216  1.00 38.19           N
+ATOM    695  CA  GLY A  88      41.892  68.444 107.856  1.00 42.21           C
+ATOM    696  C   GLY A  88      40.679  68.644 106.972  1.00 45.80           C
+ATOM    697  O   GLY A  88      40.071  69.714 106.985  1.00 46.16           O
+ATOM    698  N   LEU A  89      40.322  67.614 106.208  1.00 43.15           N
+ATOM    699  CA  LEU A  89      39.147  67.661 105.346  1.00 40.10           C
+ATOM    700  C   LEU A  89      37.934  67.110 106.082  1.00 39.18           C
+ATOM    701  O   LEU A  89      37.816  65.903 106.263  1.00 38.14           O
+ATOM    702  CB  LEU A  89      39.382  66.870 104.053  1.00 35.52           C
+ATOM    703  CG  LEU A  89      40.755  67.038 103.391  1.00 30.61           C
+ATOM    704  CD1 LEU A  89      40.831  66.183 102.143  1.00 26.39           C
+ATOM    705  CD2 LEU A  89      41.110  68.498 103.074  1.00 31.19           C
+ATOM    706  N   THR A  90      37.022  68.000 106.478  1.00 36.25           N
+ATOM    707  CA  THR A  90      35.864  67.633 107.301  1.00 37.48           C
+ATOM    708  C   THR A  90      34.536  67.786 106.576  1.00 44.80           C
+ATOM    709  O   THR A  90      33.605  66.998 106.776  1.00 43.59           O
+ATOM    710  CB  THR A  90      35.740  68.560 108.528  1.00 35.60           C
+ATOM    711  OG1 THR A  90      37.040  68.987 108.958  1.00 55.12           O
+ATOM    712  CG2 THR A  90      35.027  67.839 109.657  1.00 62.77           C
+ATOM    713  N   GLU A  91      34.443  68.826 105.757  1.00 36.77           N
+ATOM    714  CA  GLU A  91      33.168  69.238 105.193  1.00 38.21           C
+ATOM    715  C   GLU A  91      32.772  68.377 103.988  1.00 41.06           C
+ATOM    716  O   GLU A  91      33.430  68.386 102.949  1.00 38.90           O
+ATOM    717  CB  GLU A  91      33.227  70.730 104.836  1.00 44.93           C
+ATOM    718  CG  GLU A  91      31.892  71.353 104.445  1.00 53.59           C
+ATOM    719  CD  GLU A  91      30.955  71.572 105.627  1.00 56.17           C
+ATOM    720  OE1 GLU A  91      31.421  71.546 106.789  1.00 47.32           O
+ATOM    721  OE2 GLU A  91      29.745  71.771 105.383  1.00 61.03           O
+ATOM    722  N   GLU A  92      31.695  67.626 104.146  1.00 31.80           N
+ATOM    723  CA  GLU A  92      31.235  66.699 103.119  1.00 43.51           C
+ATOM    724  C   GLU A  92      31.116  67.350 101.742  1.00 41.50           C
+ATOM    725  O   GLU A  92      30.708  68.503 101.623  1.00 40.88           O
+ATOM    726  CB  GLU A  92      29.896  66.072 103.526  1.00 43.81           C
+ATOM    727  CG  GLU A  92      29.246  65.206 102.439  1.00 54.88           C
+ATOM    728  CD  GLU A  92      28.082  64.366 102.962  1.00 69.78           C
+ATOM    729  OE1 GLU A  92      28.053  64.076 104.184  1.00 56.41           O
+ATOM    730  OE2 GLU A  92      27.200  63.997 102.149  1.00 54.17           O
+ATOM    731  N   ASP A  93      31.487  66.600 100.710  1.00 34.58           N
+ATOM    732  CA  ASP A  93      31.344  67.050  99.330  1.00 34.36           C
+ATOM    733  C   ASP A  93      31.767  68.515  99.172  1.00 34.09           C
+ATOM    734  O   ASP A  93      31.015  69.319  98.631  1.00 33.38           O
+ATOM    735  CB  ASP A  93      29.893  66.848  98.875  1.00 30.77           C
+ATOM    736  CG  ASP A  93      29.742  66.827  97.352  1.00 46.77           C
+ATOM    737  OD1 ASP A  93      28.592  66.925  96.867  1.00 46.81           O
+ATOM    738  OD2 ASP A  93      30.765  66.700  96.640  1.00 34.80           O
+ATOM    739  N   SER A  94      32.964  68.852  99.656  1.00 30.12           N
+ATOM    740  CA  SER A  94      33.493  70.217  99.599  1.00 28.44           C
+ATOM    741  C   SER A  94      34.890  70.311  99.001  1.00 31.26           C
+ATOM    742  O   SER A  94      35.674  69.346  99.047  1.00 25.91           O
+ATOM    743  CB  SER A  94      33.515  70.834 100.989  1.00 36.58           C
+ATOM    744  OG  SER A  94      32.191  70.939 101.479  1.00 41.14           O
+ATOM    745  N   ILE A  95      35.199  71.483  98.453  1.00 25.92           N
+ATOM    746  CA  ILE A  95      36.503  71.748  97.843  1.00 24.90           C
+ATOM    747  C   ILE A  95      37.457  72.495  98.782  1.00 28.13           C
+ATOM    748  O   ILE A  95      37.121  73.563  99.310  1.00 28.50           O
+ATOM    749  CB  ILE A  95      36.352  72.549  96.521  1.00 23.19           C
+ATOM    750  CG1 ILE A  95      35.599  71.724  95.477  1.00 21.03           C
+ATOM    751  CG2 ILE A  95      37.721  72.964  95.986  1.00 24.41           C
+ATOM    752  CD1 ILE A  95      35.354  72.465  94.167  1.00 24.47           C
+ATOM    753  N   TYR A  96      38.643  71.922  98.993  1.00 18.60           N
+ATOM    754  CA  TYR A  96      39.722  72.584  99.734  1.00 21.73           C
+ATOM    755  C   TYR A  96      40.863  72.961  98.802  1.00 26.14           C
+ATOM    756  O   TYR A  96      41.264  72.163  97.964  1.00 26.88           O
+ATOM    757  CB  TYR A  96      40.266  71.656 100.827  1.00 24.58           C
+ATOM    758  CG  TYR A  96      39.311  71.412 101.965  1.00 24.01           C
+ATOM    759  CD1 TYR A  96      38.286  70.484 101.846  1.00 26.57           C
+ATOM    760  CD2 TYR A  96      39.438  72.107 103.165  1.00 33.30           C
+ATOM    761  CE1 TYR A  96      37.418  70.246 102.884  1.00 32.84           C
+ATOM    762  CE2 TYR A  96      38.562  71.880 104.217  1.00 28.96           C
+ATOM    763  CZ  TYR A  96      37.557  70.946 104.069  1.00 34.38           C
+ATOM    764  OH  TYR A  96      36.674  70.693 105.096  1.00 38.32           O
+ATOM    765  N   VAL A  97      41.391  74.171  98.958  1.00 19.05           N
+ATOM    766  CA  VAL A  97      42.460  74.650  98.112  1.00 20.87           C
+ATOM    767  C   VAL A  97      43.705  74.912  98.933  1.00 23.87           C
+ATOM    768  O   VAL A  97      43.646  75.591  99.965  1.00 28.49           O
+ATOM    769  CB  VAL A  97      42.043  75.926  97.368  1.00 17.21           C
+ATOM    770  CG1 VAL A  97      43.161  76.443  96.508  1.00 20.68           C
+ATOM    771  CG2 VAL A  97      40.781  75.637  96.500  1.00 19.51           C
+ATOM    772  N   PHE A  98      44.828  74.366  98.474  1.00 20.44           N
+ATOM    773  CA  PHE A  98      46.097  74.465  99.186  1.00 25.99           C
+ATOM    774  C   PHE A  98      47.097  75.256  98.378  1.00 30.31           C
+ATOM    775  O   PHE A  98      47.278  75.013  97.186  1.00 28.87           O
+ATOM    776  CB  PHE A  98      46.681  73.070  99.450  1.00 25.09           C
+ATOM    777  CG  PHE A  98      45.848  72.235 100.357  1.00 24.04           C
+ATOM    778  CD1 PHE A  98      44.811  71.480  99.858  1.00 24.78           C
+ATOM    779  CD2 PHE A  98      46.090  72.210 101.715  1.00 32.12           C
+ATOM    780  CE1 PHE A  98      44.033  70.716 100.692  1.00 24.50           C
+ATOM    781  CE2 PHE A  98      45.312  71.444 102.550  1.00 26.20           C
+ATOM    782  CZ  PHE A  98      44.287  70.697 102.043  1.00 24.88           C
+ATOM    783  N   LYS A  99      47.756  76.198  99.042  1.00 24.39           N
+ATOM    784  CA  LYS A  99      48.849  76.943  98.452  1.00 24.67           C
+ATOM    785  C   LYS A  99      49.907  77.120  99.543  1.00 35.68           C
+ATOM    786  O   LYS A  99      49.656  77.771 100.567  1.00 32.68           O
+ATOM    787  CB  LYS A  99      48.369  78.309  97.936  1.00 26.37           C
+ATOM    788  CG  LYS A  99      49.448  79.100  97.211  1.00 25.00           C
+ATOM    789  CD  LYS A  99      49.043  80.550  96.941  1.00 24.39           C
+ATOM    790  CE  LYS A  99      50.183  81.352  96.327  1.00 22.82           C
+ATOM    791  NZ  LYS A  99      49.803  82.763  96.001  1.00 25.23           N
+ATOM    792  N   GLU A 100      51.075  76.516  99.342  1.00 46.76           N
+ATOM    793  CA  GLU A 100      52.135  76.567 100.352  1.00 42.56           C
+ATOM    794  C   GLU A 100      51.610  76.160 101.737  1.00 39.97           C
+ATOM    795  O   GLU A 100      51.182  75.020 101.936  1.00 50.38           O
+ATOM    796  CB  GLU A 100      52.734  77.971 100.400  1.00 51.28           C
+ATOM    797  CG  GLU A 100      53.355  78.412  99.084  1.00 52.10           C
+ATOM    798  CD  GLU A 100      53.359  79.921  98.910  1.00 58.30           C
+ATOM    799  OE1 GLU A 100      52.811  80.628  99.787  1.00 58.58           O
+ATOM    800  OE2 GLU A 100      53.900  80.397  97.886  1.00 57.82           O
+ATOM    801  N   ASP A 101      51.627  77.097 102.686  1.00 58.36           N
+ATOM    802  CA  ASP A 101      51.212  76.812 104.067  1.00 54.07           C
+ATOM    803  C   ASP A 101      49.812  77.311 104.413  1.00 55.16           C
+ATOM    804  O   ASP A 101      49.494  77.526 105.587  1.00 49.70           O
+ATOM    805  CB  ASP A 101      52.213  77.400 105.069  1.00 66.26           C
+ATOM    806  CG  ASP A 101      53.490  76.584 105.172  1.00 85.04           C
+ATOM    807  OD1 ASP A 101      54.175  76.682 106.214  1.00 88.45           O
+ATOM    808  OD2 ASP A 101      53.807  75.843 104.215  1.00 80.66           O
+ATOM    809  N   GLU A 102      48.976  77.497 103.399  1.00 50.89           N
+ATOM    810  CA  GLU A 102      47.614  77.962 103.627  1.00 40.40           C
+ATOM    811  C   GLU A 102      46.605  76.981 103.027  1.00 38.52           C
+ATOM    812  O   GLU A 102      46.783  76.482 101.919  1.00 33.48           O
+ATOM    813  CB  GLU A 102      47.409  79.375 103.048  1.00 50.36           C
+ATOM    814  CG  GLU A 102      48.343  80.470 103.613  1.00 51.37           C
+ATOM    815  CD  GLU A 102      47.945  80.957 105.010  1.00 55.47           C
+ATOM    816  OE1 GLU A 102      48.849  81.346 105.786  1.00 63.10           O
+ATOM    817  OE2 GLU A 102      46.733  80.961 105.331  1.00 48.64           O
+ATOM    818  N   VAL A 103      45.557  76.691 103.783  1.00 34.92           N
+ATOM    819  CA  VAL A 103      44.423  75.957 103.261  1.00 41.57           C
+ATOM    820  C   VAL A 103      43.268  76.937 103.153  1.00 39.67           C
+ATOM    821  O   VAL A 103      43.073  77.761 104.047  1.00 36.54           O
+ATOM    822  CB  VAL A 103      44.015  74.819 104.207  1.00 34.58           C
+ATOM    823  CG1 VAL A 103      43.042  73.863 103.513  1.00 29.56           C
+ATOM    824  CG2 VAL A 103      45.251  74.087 104.698  1.00 44.95           C
+ATOM    825  N   ILE A 104      42.523  76.855 102.055  1.00 31.67           N
+ATOM    826  CA  ILE A 104      41.275  77.611 101.881  1.00 37.56           C
+ATOM    827  C   ILE A 104      40.103  76.658 101.792  1.00 34.62           C
+ATOM    828  O   ILE A 104      40.134  75.704 101.004  1.00 32.84           O
+ATOM    829  CB  ILE A 104      41.256  78.381 100.570  1.00 42.56           C
+ATOM    830  CG1 ILE A 104      42.347  79.445 100.551  1.00 38.23           C
+ATOM    831  CG2 ILE A 104      39.849  78.977 100.331  1.00 36.86           C
+ATOM    832  CD1 ILE A 104      42.402  80.210  99.252  1.00 35.12           C
+ATOM    833  N   GLU A 105      39.060  76.899 102.578  1.00 33.78           N
+ATOM    834  CA  GLU A 105      37.872  76.066 102.482  1.00 35.12           C
+ATOM    835  C   GLU A 105      36.852  76.728 101.557  1.00 40.81           C
+ATOM    836  O   GLU A 105      35.999  77.492 102.003  1.00 42.17           O
+ATOM    837  CB  GLU A 105      37.265  75.776 103.856  1.00 39.27           C
+ATOM    838  CG  GLU A 105      36.092  74.800 103.782  1.00 42.33           C
+ATOM    839  CD  GLU A 105      35.227  74.802 105.030  1.00 61.73           C
+ATOM    840  OE1 GLU A 105      35.789  74.940 106.140  1.00 63.93           O
+ATOM    841  OE2 GLU A 105      33.987  74.672 104.893  1.00 50.39           O
+ATOM    842  N   TYR A 106      36.965  76.428 100.265  1.00 30.51           N
+ATOM    843  CA  TYR A 106      36.124  77.010  99.222  1.00 27.91           C
+ATOM    844  C   TYR A 106      34.628  76.885  99.548  1.00 20.92           C
+ATOM    845  O   TYR A 106      34.140  75.830  99.950  1.00 30.70           O
+ATOM    846  CB  TYR A 106      36.448  76.370  97.863  1.00 26.68           C
+ATOM    847  CG  TYR A 106      35.733  76.991  96.687  1.00 18.27           C
+ATOM    848  CD1 TYR A 106      36.074  78.256  96.223  1.00 22.31           C
+ATOM    849  CD2 TYR A 106      34.706  76.315  96.042  1.00 25.78           C
+ATOM    850  CE1 TYR A 106      35.417  78.828  95.147  1.00 25.91           C
+ATOM    851  CE2 TYR A 106      34.057  76.871  94.960  1.00 21.14           C
+ATOM    852  CZ  TYR A 106      34.403  78.128  94.519  1.00 22.09           C
+ATOM    853  OH  TYR A 106      33.736  78.681  93.442  1.00 22.52           O
+ATOM    854  N   ASP A 107      33.912  77.987  99.394  1.00 29.24           N
+ATOM    855  CA  ASP A 107      32.509  78.013  99.773  1.00 31.29           C
+ATOM    856  C   ASP A 107      31.755  78.775  98.679  1.00 33.99           C
+ATOM    857  O   ASP A 107      30.856  79.575  98.959  1.00 27.51           O
+ATOM    858  CB  ASP A 107      32.354  78.649 101.163  1.00 29.85           C
+ATOM    859  CG  ASP A 107      31.233  78.018 101.986  1.00 39.37           C
+ATOM    860  OD1 ASP A 107      30.604  77.040 101.520  1.00 38.44           O
+ATOM    861  OD2 ASP A 107      30.978  78.505 103.114  1.00 34.97           O
+ATOM    862  N   GLY A 108      32.140  78.508  97.430  1.00 24.35           N
+ATOM    863  CA  GLY A 108      31.542  79.151  96.272  1.00 21.21           C
+ATOM    864  C   GLY A 108      30.919  78.186  95.273  1.00 23.49           C
+ATOM    865  O   GLY A 108      30.871  76.983  95.473  1.00 19.34           O
+ATOM    866  N   GLU A 109      30.460  78.748  94.168  1.00 17.41           N
+ATOM    867  CA  GLU A 109      29.776  78.025  93.124  1.00 17.04           C
+ATOM    868  C   GLU A 109      30.680  76.924  92.560  1.00 20.33           C
+ATOM    869  O   GLU A 109      31.859  77.153  92.315  1.00 19.73           O
+ATOM    870  CB  GLU A 109      29.422  79.039  92.041  1.00 18.59           C
+ATOM    871  CG  GLU A 109      28.570  78.557  90.910  1.00 24.05           C
+ATOM    872  CD  GLU A 109      28.352  79.678  89.913  1.00 23.86           C
+ATOM    873  OE1 GLU A 109      27.369  80.407  90.068  1.00 24.25           O
+ATOM    874  OE2 GLU A 109      29.199  79.876  89.019  1.00 26.57           O
+ATOM    875  N   PHE A 110      30.109  75.742  92.362  1.00 18.38           N
+ATOM    876  CA  PHE A 110      30.840  74.594  91.824  1.00 19.27           C
+ATOM    877  C   PHE A 110      30.648  74.621  90.318  1.00 19.11           C
+ATOM    878  O   PHE A 110      29.894  73.821  89.761  1.00 18.97           O
+ATOM    879  CB  PHE A 110      30.288  73.280  92.401  1.00 21.15           C
+ATOM    880  CG  PHE A 110      31.278  72.126  92.373  1.00 22.51           C
+ATOM    881  CD1 PHE A 110      32.033  71.856  91.228  1.00 21.34           C
+ATOM    882  CD2 PHE A 110      31.453  71.321  93.492  1.00 25.82           C
+ATOM    883  CE1 PHE A 110      32.960  70.805  91.202  1.00 21.15           C
+ATOM    884  CE2 PHE A 110      32.345  70.252  93.473  1.00 21.09           C
+ATOM    885  CZ  PHE A 110      33.115  69.999  92.326  1.00 22.57           C
+ATOM    886  N   SER A 111      31.310  75.574  89.665  1.00 15.44           N
+ATOM    887  CA  SER A 111      31.291  75.645  88.214  1.00 16.61           C
+ATOM    888  C   SER A 111      32.716  75.840  87.723  1.00 15.47           C
+ATOM    889  O   SER A 111      33.575  76.381  88.443  1.00 15.80           O
+ATOM    890  CB  SER A 111      30.428  76.811  87.733  1.00 21.28           C
+ATOM    891  OG  SER A 111      31.008  78.036  88.149  1.00 27.84           O
+ATOM    892  N   ALA A 112      32.967  75.395  86.504  1.00 14.35           N
+ATOM    893  CA  ALA A 112      34.304  75.527  85.933  1.00 18.66           C
+ATOM    894  C   ALA A 112      34.712  76.992  85.869  1.00 19.48           C
+ATOM    895  O   ALA A 112      35.799  77.338  86.282  1.00 15.55           O
+ATOM    896  CB  ALA A 112      34.375  74.887  84.551  1.00 21.01           C
+ATOM    897  N   ASP A 113      33.859  77.858  85.341  1.00 17.23           N
+ATOM    898  CA AASP A 113      34.134  79.305  85.258  0.55 19.14           C
+ATOM    899  CA BASP A 113      34.319  79.235  85.219  0.45 18.90           C
+ATOM    900  C   ASP A 113      34.624  79.882  86.572  1.00 19.22           C
+ATOM    901  O   ASP A 113      35.631  80.578  86.669  1.00 18.91           O
+ATOM    902  CB AASP A 113      32.838  80.054  84.919  0.55 20.64           C
+ATOM    903  CB BASP A 113      33.408  80.102  84.344  0.45 22.09           C
+ATOM    904  CG AASP A 113      32.497  80.004  83.459  0.55 25.39           C
+ATOM    905  CG BASP A 113      31.978  80.024  84.756  0.45 19.53           C
+ATOM    906  OD1AASP A 113      31.449  80.576  83.080  0.55 26.50           O
+ATOM    907  OD1BASP A 113      31.728  79.539  85.876  0.45 22.35           O
+ATOM    908  OD2AASP A 113      33.273  79.403  82.690  0.55 19.90           O
+ATOM    909  OD2BASP A 113      31.109  80.439  83.958  0.45 27.65           O
+ATOM    910  N   THR A 114      33.833  79.616  87.604  1.00 17.56           N
+ATOM    911  CA  THR A 114      34.059  80.226  88.908  1.00 17.00           C
+ATOM    912  C   THR A 114      35.308  79.673  89.578  1.00 20.75           C
+ATOM    913  O   THR A 114      36.123  80.427  90.119  1.00 16.37           O
+ATOM    914  CB  THR A 114      32.814  80.090  89.810  1.00 18.32           C
+ATOM    915  OG1 THR A 114      31.730  80.797  89.192  1.00 22.49           O
+ATOM    916  CG2 THR A 114      33.071  80.697  91.191  1.00 21.35           C
+ATOM    917  N   LEU A 115      35.472  78.358  89.507  1.00 18.63           N
+ATOM    918  CA  LEU A 115      36.643  77.713  90.074  1.00 18.32           C
+ATOM    919  C   LEU A 115      37.932  78.166  89.395  1.00 14.13           C
+ATOM    920  O   LEU A 115      38.928  78.440  90.071  1.00 14.89           O
+ATOM    921  CB  LEU A 115      36.491  76.189  90.026  1.00 15.28           C
+ATOM    922  CG  LEU A 115      35.628  75.603  91.146  1.00 20.37           C
+ATOM    923  CD1 LEU A 115      35.263  74.147  90.860  1.00 29.34           C
+ATOM    924  CD2 LEU A 115      36.360  75.719  92.490  1.00 27.71           C
+ATOM    925  N   VAL A 116      37.919  78.248  88.068  1.00 16.37           N
+ATOM    926  CA  VAL A 116      39.112  78.694  87.345  1.00 15.38           C
+ATOM    927  C   VAL A 116      39.467  80.137  87.713  1.00 19.50           C
+ATOM    928  O   VAL A 116      40.619  80.429  88.018  1.00 16.86           O
+ATOM    929  CB  VAL A 116      38.963  78.521  85.810  1.00 18.90           C
+ATOM    930  CG1 VAL A 116      40.068  79.296  85.056  1.00 17.06           C
+ATOM    931  CG2 VAL A 116      38.971  77.038  85.451  1.00 16.12           C
+ATOM    932  N   GLU A 117      38.483  81.031  87.713  1.00 17.41           N
+ATOM    933  CA  GLU A 117      38.778  82.420  88.099  1.00 25.22           C
+ATOM    934  C   GLU A 117      39.349  82.479  89.516  1.00 19.44           C
+ATOM    935  O   GLU A 117      40.353  83.166  89.777  1.00 20.05           O
+ATOM    936  CB  GLU A 117      37.530  83.314  87.986  1.00 20.43           C
+ATOM    937  CG  GLU A 117      37.035  83.478  86.568  1.00 30.19           C
+ATOM    938  CD  GLU A 117      36.153  84.701  86.404  1.00 51.33           C
+ATOM    939  OE1 GLU A 117      35.153  84.620  85.660  1.00 40.67           O
+ATOM    940  OE2 GLU A 117      36.467  85.743  87.021  1.00 63.65           O
+ATOM    941  N   PHE A 118      38.715  81.741  90.425  1.00 17.86           N
+ATOM    942  CA  PHE A 118      39.178  81.662  91.808  1.00 15.43           C
+ATOM    943  C   PHE A 118      40.626  81.175  91.918  1.00 19.09           C
+ATOM    944  O   PHE A 118      41.463  81.800  92.574  1.00 19.68           O
+ATOM    945  CB  PHE A 118      38.230  80.787  92.655  1.00 16.49           C
+ATOM    946  CG  PHE A 118      38.580  80.776  94.122  1.00 16.98           C
+ATOM    947  CD1 PHE A 118      38.353  81.893  94.908  1.00 19.75           C
+ATOM    948  CD2 PHE A 118      39.177  79.663  94.705  1.00 19.51           C
+ATOM    949  CE1 PHE A 118      38.687  81.886  96.264  1.00 21.31           C
+ATOM    950  CE2 PHE A 118      39.514  79.652  96.050  1.00 19.29           C
+ATOM    951  CZ  PHE A 118      39.274  80.770  96.828  1.00 24.01           C
+ATOM    952  N   LEU A 119      40.938  80.061  91.265  1.00 19.09           N
+ATOM    953  CA  LEU A 119      42.286  79.505  91.372  1.00 16.29           C
+ATOM    954  C   LEU A 119      43.325  80.417  90.727  1.00 18.34           C
+ATOM    955  O   LEU A 119      44.453  80.506  91.207  1.00 20.80           O
+ATOM    956  CB  LEU A 119      42.326  78.095  90.773  1.00 18.95           C
+ATOM    957  CG  LEU A 119      41.476  77.148  91.624  1.00 17.38           C
+ATOM    958  CD1 LEU A 119      41.126  75.872  90.883  1.00 16.19           C
+ATOM    959  CD2 LEU A 119      42.195  76.845  92.956  1.00 19.61           C
+ATOM    960  N   LEU A 120      42.952  81.095  89.641  1.00 18.09           N
+ATOM    961  CA  LEU A 120      43.835  82.122  89.065  1.00 19.70           C
+ATOM    962  C   LEU A 120      44.121  83.234  90.088  1.00 20.07           C
+ATOM    963  O   LEU A 120      45.252  83.729  90.197  1.00 17.64           O
+ATOM    964  CB  LEU A 120      43.245  82.693  87.775  1.00 19.83           C
+ATOM    965  CG  LEU A 120      43.323  81.730  86.576  1.00 23.08           C
+ATOM    966  CD1 LEU A 120      42.435  82.175  85.414  1.00 20.75           C
+ATOM    967  CD2 LEU A 120      44.765  81.585  86.120  1.00 24.06           C
+ATOM    968  N   ASP A 121      43.099  83.622  90.843  1.00 17.26           N
+ATOM    969  CA  ASP A 121      43.295  84.582  91.935  1.00 22.59           C
+ATOM    970  C   ASP A 121      44.181  84.005  93.046  1.00 20.97           C
+ATOM    971  O   ASP A 121      45.027  84.699  93.602  1.00 20.00           O
+ATOM    972  CB  ASP A 121      41.953  85.033  92.529  1.00 23.04           C
+ATOM    973  CG  ASP A 121      41.135  85.869  91.563  1.00 23.55           C
+ATOM    974  OD1 ASP A 121      41.708  86.458  90.619  1.00 21.38           O
+ATOM    975  OD2 ASP A 121      39.911  85.932  91.761  1.00 22.25           O
+ATOM    976  N   VAL A 122      43.995  82.734  93.383  1.00 16.01           N
+ATOM    977  CA  VAL A 122      44.851  82.126  94.406  1.00 26.33           C
+ATOM    978  C   VAL A 122      46.344  82.185  94.005  1.00 23.30           C
+ATOM    979  O   VAL A 122      47.236  82.468  94.828  1.00 19.08           O
+ATOM    980  CB  VAL A 122      44.430  80.659  94.696  1.00 21.80           C
+ATOM    981  CG1 VAL A 122      45.424  79.979  95.627  1.00 19.98           C
+ATOM    982  CG2 VAL A 122      43.039  80.613  95.309  1.00 21.10           C
+ATOM    983  N   LEU A 123      46.609  81.923  92.733  1.00 21.36           N
+ATOM    984  CA  LEU A 123      47.981  81.922  92.226  1.00 21.59           C
+ATOM    985  C   LEU A 123      48.706  83.257  92.397  1.00 31.42           C
+ATOM    986  O   LEU A 123      49.935  83.297  92.514  1.00 25.74           O
+ATOM    987  CB  LEU A 123      47.999  81.524  90.755  1.00 21.39           C
+ATOM    988  CG  LEU A 123      47.897  80.037  90.411  1.00 24.53           C
+ATOM    989  CD1 LEU A 123      47.604  79.882  88.927  1.00 24.43           C
+ATOM    990  CD2 LEU A 123      49.170  79.273  90.795  1.00 24.97           C
+ATOM    991  N   GLU A 124      47.954  84.348  92.391  1.00 23.83           N
+ATOM    992  CA  GLU A 124      48.544  85.679  92.487  1.00 29.72           C
+ATOM    993  C   GLU A 124      49.183  85.923  93.855  1.00 23.81           C
+ATOM    994  O   GLU A 124      48.772  85.330  94.856  1.00 23.21           O
+ATOM    995  CB  GLU A 124      47.485  86.753  92.210  1.00 25.50           C
+ATOM    996  CG  GLU A 124      47.014  86.798  90.774  1.00 23.90           C
+ATOM    997  CD  GLU A 124      48.162  87.044  89.798  1.00 48.59           C
+ATOM    998  OE1 GLU A 124      48.911  88.022  89.992  1.00 39.87           O
+ATOM    999  OE2 GLU A 124      48.328  86.252  88.842  1.00 49.55           O
+ATOM   1000  N   ASP A 125      50.173  86.812  93.903  1.00 25.85           N
+ATOM   1001  CA  ASP A 125      50.782  87.190  95.180  1.00 21.38           C
+ATOM   1002  C   ASP A 125      49.737  87.848  96.070  1.00 23.81           C
+ATOM   1003  O   ASP A 125      48.853  88.534  95.577  1.00 23.47           O
+ATOM   1004  CB  ASP A 125      51.963  88.150  94.965  1.00 27.91           C
+ATOM   1005  CG  ASP A 125      53.156  87.473  94.324  1.00 35.28           C
+ATOM   1006  OD1 ASP A 125      53.209  86.227  94.347  1.00 30.81           O
+ATOM   1007  OD2 ASP A 125      54.039  88.184  93.803  1.00 34.49           O
+ATOM   1008  N   PRO A 126      49.839  87.642  97.392  1.00 24.80           N
+ATOM   1009  CA  PRO A 126      48.791  88.086  98.323  1.00 23.46           C
+ATOM   1010  C   PRO A 126      48.694  89.604  98.506  1.00 26.80           C
+ATOM   1011  O   PRO A 126      47.628  90.087  98.864  1.00 24.28           O
+ATOM   1012  CB  PRO A 126      49.196  87.427  99.647  1.00 26.86           C
+ATOM   1013  CG  PRO A 126      50.691  87.282  99.538  1.00 33.97           C
+ATOM   1014  CD  PRO A 126      50.937  86.945  98.079  1.00 26.29           C
+ATOM   1015  N   VAL A 127      49.780  90.347  98.308  1.00 22.79           N
+ATOM   1016  CA  VAL A 127      49.702  91.802  98.432  1.00 24.42           C
+ATOM   1017  C   VAL A 127      49.886  92.461  97.076  1.00 23.06           C
+ATOM   1018  O   VAL A 127      50.796  92.113  96.329  1.00 22.52           O
+ATOM   1019  CB  VAL A 127      50.740  92.348  99.457  1.00 19.22           C
+ATOM   1020  CG1 VAL A 127      50.770  93.898  99.449  1.00 18.97           C
+ATOM   1021  CG2 VAL A 127      50.426  91.810 100.844  1.00 18.54           C
+ATOM   1022  N   GLU A 128      49.006  93.401  96.749  1.00 20.06           N
+ATOM   1023  CA  GLU A 128      49.169  94.185  95.543  1.00 24.16           C
+ATOM   1024  C   GLU A 128      49.829  95.524  95.854  1.00 26.88           C
+ATOM   1025  O   GLU A 128      49.331  96.326  96.636  1.00 18.93           O
+ATOM   1026  CB  GLU A 128      47.836  94.381  94.812  1.00 27.10           C
+ATOM   1027  CG  GLU A 128      47.190  93.066  94.429  1.00 38.95           C
+ATOM   1028  CD  GLU A 128      45.808  93.247  93.842  1.00 54.68           C
+ATOM   1029  OE1 GLU A 128      45.701  94.012  92.859  1.00 51.18           O
+ATOM   1030  OE2 GLU A 128      44.841  92.632  94.368  1.00 50.41           O
+ATOM   1031  N   LEU A 129      50.979  95.753  95.243  1.00 21.63           N
+ATOM   1032  CA ALEU A 129      51.717  96.991  95.458  0.57 26.21           C
+ATOM   1033  CA BLEU A 129      51.704  96.992  95.478  0.43 26.22           C
+ATOM   1034  C   LEU A 129      51.192  98.079  94.539  1.00 29.01           C
+ATOM   1035  O   LEU A 129      50.926  97.825  93.367  1.00 33.62           O
+ATOM   1036  CB ALEU A 129      53.208  96.777  95.184  0.57 29.58           C
+ATOM   1037  CB BLEU A 129      53.208  96.765  95.295  0.43 29.53           C
+ATOM   1038  CG ALEU A 129      54.041  95.923  96.141  0.57 31.69           C
+ATOM   1039  CG BLEU A 129      54.190  97.777  95.896  0.43 29.29           C
+ATOM   1040  CD1ALEU A 129      54.054  96.548  97.526  0.57 26.68           C
+ATOM   1041  CD1BLEU A 129      54.020  99.132  95.263  0.43 36.98           C
+ATOM   1042  CD2ALEU A 129      53.557  94.490  96.202  0.57 34.23           C
+ATOM   1043  CD2BLEU A 129      54.036  97.871  97.401  0.43 27.11           C
+ATOM   1044  N   ILE A 130      51.046  99.288  95.071  1.00 24.08           N
+ATOM   1045  CA  ILE A 130      50.615 100.438  94.286  1.00 25.38           C
+ATOM   1046  C   ILE A 130      51.796 101.376  94.010  1.00 40.01           C
+ATOM   1047  O   ILE A 130      52.335 102.007  94.927  1.00 39.63           O
+ATOM   1048  CB  ILE A 130      49.510 101.237  95.007  1.00 28.69           C
+ATOM   1049  CG1 ILE A 130      48.204 100.430  95.056  1.00 29.62           C
+ATOM   1050  CG2 ILE A 130      49.278 102.582  94.314  1.00 31.46           C
+ATOM   1051  CD1 ILE A 130      47.145 101.037  95.949  1.00 31.43           C
+ATOM   1052  N   GLU A 131      52.193 101.467  92.747  1.00 38.67           N
+ATOM   1053  CA  GLU A 131      53.255 102.393  92.351  1.00 45.15           C
+ATOM   1054  C   GLU A 131      52.740 103.496  91.423  1.00 51.39           C
+ATOM   1055  O   GLU A 131      52.922 104.686  91.698  1.00 56.38           O
+ATOM   1056  CB  GLU A 131      54.396 101.634  91.674  1.00 57.52           C
+ATOM   1057  CG  GLU A 131      55.072 100.613  92.575  1.00 55.35           C
+ATOM   1058  CD  GLU A 131      55.941  99.641  91.809  1.00 60.08           C
+ATOM   1059  OE1 GLU A 131      56.001  98.457  92.203  1.00 55.96           O
+ATOM   1060  OE2 GLU A 131      56.570 100.062  90.815  1.00 74.38           O
+ATOM   1061  N   GLY A 132      52.092 103.097  90.329  1.00 35.31           N
+ATOM   1062  CA  GLY A 132      51.668 104.038  89.303  1.00 44.47           C
+ATOM   1063  C   GLY A 132      50.313 104.678  89.538  1.00 49.21           C
+ATOM   1064  O   GLY A 132      49.564 104.286  90.442  1.00 35.12           O
+ATOM   1065  N   GLU A 133      49.995 105.679  88.724  1.00 36.55           N
+ATOM   1066  CA  GLU A 133      48.686 106.313  88.799  1.00 44.38           C
+ATOM   1067  C   GLU A 133      47.601 105.337  88.365  1.00 36.20           C
+ATOM   1068  O   GLU A 133      46.525 105.309  88.951  1.00 39.55           O
+ATOM   1069  CB  GLU A 133      48.638 107.594  87.964  1.00 45.97           C
+ATOM   1070  CG  GLU A 133      48.619 108.864  88.807  1.00 55.76           C
+ATOM   1071  CD  GLU A 133      47.329 109.023  89.609  1.00 62.69           C
+ATOM   1072  OE1 GLU A 133      46.274 108.519  89.160  1.00 62.47           O
+ATOM   1073  OE2 GLU A 133      47.368 109.654  90.690  1.00 59.84           O
+ATOM   1074  N   ARG A 134      47.892 104.524  87.352  1.00 36.60           N
+ATOM   1075  CA  ARG A 134      46.943 103.509  86.913  1.00 43.67           C
+ATOM   1076  C   ARG A 134      46.524 102.626  88.095  1.00 33.38           C
+ATOM   1077  O   ARG A 134      45.336 102.420  88.338  1.00 27.87           O
+ATOM   1078  CB  ARG A 134      47.536 102.651  85.787  1.00 41.66           C
+ATOM   1079  CG  ARG A 134      46.633 101.502  85.338  1.00 47.08           C
+ATOM   1080  CD  ARG A 134      47.230 100.696  84.174  1.00 47.46           C
+ATOM   1081  NE  ARG A 134      47.117 101.398  82.895  1.00 39.45           N
+ATOM   1082  CZ  ARG A 134      48.141 101.908  82.218  1.00 55.52           C
+ATOM   1083  NH1 ARG A 134      49.380 101.788  82.686  1.00 48.92           N
+ATOM   1084  NH2 ARG A 134      47.924 102.536  81.066  1.00 51.39           N
+ATOM   1085  N   GLU A 135      47.508 102.118  88.826  1.00 30.38           N
+ATOM   1086  CA  GLU A 135      47.248 101.202  89.933  1.00 33.33           C
+ATOM   1087  C   GLU A 135      46.518 101.858  91.097  1.00 29.04           C
+ATOM   1088  O   GLU A 135      45.654 101.239  91.705  1.00 30.44           O
+ATOM   1089  CB  GLU A 135      48.548 100.570  90.421  1.00 34.04           C
+ATOM   1090  CG  GLU A 135      49.265  99.765  89.364  1.00 39.07           C
+ATOM   1091  CD  GLU A 135      50.562  99.186  89.874  1.00 53.09           C
+ATOM   1092  OE1 GLU A 135      50.863  98.026  89.519  1.00 58.06           O
+ATOM   1093  OE2 GLU A 135      51.276  99.892  90.630  1.00 48.63           O
+ATOM   1094  N   LEU A 136      46.868 103.099  91.416  1.00 29.49           N
+ATOM   1095  CA  LEU A 136      46.171 103.833  92.472  1.00 26.65           C
+ATOM   1096  C   LEU A 136      44.713 104.042  92.093  1.00 34.51           C
+ATOM   1097  O   LEU A 136      43.799 103.813  92.894  1.00 27.31           O
+ATOM   1098  CB  LEU A 136      46.834 105.190  92.726  1.00 29.77           C
+ATOM   1099  CG  LEU A 136      46.077 106.135  93.668  1.00 25.04           C
+ATOM   1100  CD1 LEU A 136      45.967 105.545  95.066  1.00 32.13           C
+ATOM   1101  CD2 LEU A 136      46.746 107.523  93.722  1.00 39.44           C
+ATOM   1102  N   GLN A 137      44.499 104.484  90.861  1.00 25.59           N
+ATOM   1103  CA  GLN A 137      43.148 104.696  90.375  1.00 32.44           C
+ATOM   1104  C   GLN A 137      42.346 103.410  90.472  1.00 28.84           C
+ATOM   1105  O   GLN A 137      41.187 103.427  90.891  1.00 27.58           O
+ATOM   1106  CB  GLN A 137      43.165 105.198  88.934  1.00 32.24           C
+ATOM   1107  CG  GLN A 137      43.356 106.681  88.849  1.00 46.56           C
+ATOM   1108  CD  GLN A 137      42.445 107.405  89.814  1.00 60.34           C
+ATOM   1109  OE1 GLN A 137      41.227 107.167  89.838  1.00 54.07           O
+ATOM   1110  NE2 GLN A 137      43.028 108.278  90.638  1.00 52.77           N
+ATOM   1111  N   ALA A 138      42.956 102.303  90.061  1.00 30.44           N
+ATOM   1112  CA  ALA A 138      42.293 101.009  90.147  1.00 29.45           C
+ATOM   1113  C   ALA A 138      41.901 100.708  91.591  1.00 27.88           C
+ATOM   1114  O   ALA A 138      40.779 100.269  91.864  1.00 24.72           O
+ATOM   1115  CB  ALA A 138      43.171  99.935  89.609  1.00 30.06           C
+ATOM   1116  N   PHE A 139      42.820 100.946  92.515  1.00 25.68           N
+ATOM   1117  CA  PHE A 139      42.506 100.739  93.932  1.00 25.18           C
+ATOM   1118  C   PHE A 139      41.324 101.602  94.355  1.00 23.44           C
+ATOM   1119  O   PHE A 139      40.378 101.137  95.001  1.00 21.22           O
+ATOM   1120  CB  PHE A 139      43.696 101.068  94.839  1.00 22.97           C
+ATOM   1121  CG  PHE A 139      43.313 101.160  96.285  1.00 22.45           C
+ATOM   1122  CD1 PHE A 139      43.174 100.004  97.050  1.00 17.39           C
+ATOM   1123  CD2 PHE A 139      43.031 102.387  96.865  1.00 22.73           C
+ATOM   1124  CE1 PHE A 139      42.791 100.078  98.385  1.00 18.13           C
+ATOM   1125  CE2 PHE A 139      42.637 102.472  98.195  1.00 22.43           C
+ATOM   1126  CZ  PHE A 139      42.511 101.313  98.955  1.00 18.41           C
+ATOM   1127  N   GLU A 140      41.385 102.881  94.020  1.00 23.50           N
+ATOM   1128  CA  GLU A 140      40.309 103.783  94.413  1.00 23.86           C
+ATOM   1129  C   GLU A 140      38.962 103.342  93.828  1.00 26.79           C
+ATOM   1130  O   GLU A 140      37.929 103.476  94.476  1.00 26.36           O
+ATOM   1131  CB  GLU A 140      40.651 105.232  94.044  1.00 30.63           C
+ATOM   1132  CG  GLU A 140      41.813 105.803  94.853  1.00 31.93           C
+ATOM   1133  CD  GLU A 140      42.314 107.157  94.336  1.00 45.22           C
+ATOM   1134  OE1 GLU A 140      42.241 107.412  93.113  1.00 42.19           O
+ATOM   1135  OE2 GLU A 140      42.793 107.965  95.161  1.00 50.09           O
+ATOM   1136  N   ASN A 141      38.968 102.773  92.628  1.00 23.78           N
+ATOM   1137  CA  ASN A 141      37.699 102.365  91.995  1.00 32.57           C
+ATOM   1138  C   ASN A 141      37.019 101.097  92.555  1.00 29.41           C
+ATOM   1139  O   ASN A 141      35.850 100.835  92.274  1.00 26.18           O
+ATOM   1140  CB  ASN A 141      37.859 102.256  90.474  1.00 31.66           C
+ATOM   1141  CG  ASN A 141      38.049 103.612  89.813  1.00 48.48           C
+ATOM   1142  OD1 ASN A 141      37.603 104.638  90.334  1.00 48.79           O
+ATOM   1143  ND2 ASN A 141      38.707 103.623  88.657  1.00 45.75           N
+ATOM   1144  N   ILE A 142      37.735 100.318  93.355  1.00 22.11           N
+ATOM   1145  CA  ILE A 142      37.132  99.155  93.992  1.00 18.81           C
+ATOM   1146  C   ILE A 142      36.088  99.565  95.035  1.00 20.43           C
+ATOM   1147  O   ILE A 142      36.394 100.342  95.929  1.00 24.54           O
+ATOM   1148  CB  ILE A 142      38.194  98.294  94.697  1.00 16.91           C
+ATOM   1149  CG1 ILE A 142      39.198  97.745  93.682  1.00 23.41           C
+ATOM   1150  CG2 ILE A 142      37.531  97.162  95.485  1.00 16.71           C
+ATOM   1151  CD1 ILE A 142      40.326  96.977  94.311  1.00 24.10           C
+ATOM   1152  N   GLU A 143      34.858  99.059  94.916  1.00 19.34           N
+ATOM   1153  CA  GLU A 143      33.866  99.281  95.971  1.00 24.33           C
+ATOM   1154  C   GLU A 143      33.057  98.058  96.385  1.00 20.92           C
+ATOM   1155  O   GLU A 143      32.472  98.056  97.462  1.00 22.95           O
+ATOM   1156  CB  GLU A 143      32.926 100.430  95.622  1.00 29.51           C
+ATOM   1157  CG  GLU A 143      32.227 100.255  94.313  1.00 32.25           C
+ATOM   1158  CD  GLU A 143      31.427 101.483  93.938  0.34 36.36           C
+ATOM   1159  OE1 GLU A 143      30.322 101.640  94.479  1.00 31.99           O
+ATOM   1160  OE2 GLU A 143      31.904 102.299  93.120  1.00 51.61           O
+ATOM   1161  N   ASP A 144      33.055  96.999  95.581  1.00 17.71           N
+ATOM   1162  CA  ASP A 144      32.144  95.887  95.868  1.00 20.08           C
+ATOM   1163  C   ASP A 144      32.736  94.812  96.760  1.00 25.46           C
+ATOM   1164  O   ASP A 144      32.166  93.731  96.938  1.00 23.67           O
+ATOM   1165  CB  ASP A 144      31.543  95.303  94.583  1.00 21.65           C
+ATOM   1166  CG  ASP A 144      32.535  94.505  93.761  1.00 29.02           C
+ATOM   1167  OD1 ASP A 144      33.559  94.047  94.305  1.00 24.52           O
+ATOM   1168  OD2 ASP A 144      32.251  94.304  92.565  1.00 23.18           O
+ATOM   1169  N   GLU A 145      33.894  95.121  97.330  1.00 22.04           N
+ATOM   1170  CA  GLU A 145      34.494  94.255  98.314  1.00 21.57           C
+ATOM   1171  C   GLU A 145      35.249  95.130  99.313  1.00 17.63           C
+ATOM   1172  O   GLU A 145      35.614  96.276  99.013  1.00 17.34           O
+ATOM   1173  CB  GLU A 145      35.451  93.251  97.651  1.00 21.57           C
+ATOM   1174  CG  GLU A 145      36.600  93.928  96.887  1.00 24.74           C
+ATOM   1175  CD  GLU A 145      37.365  92.977  95.951  1.00 29.32           C
+ATOM   1176  OE1 GLU A 145      37.270  91.755  96.137  1.00 35.94           O
+ATOM   1177  OE2 GLU A 145      38.069  93.468  95.036  1.00 29.38           O
+ATOM   1178  N   ILE A 146      35.431  94.583 100.503  1.00 15.82           N
+ATOM   1179  CA  ILE A 146      36.354  95.118 101.498  1.00 16.79           C
+ATOM   1180  C   ILE A 146      37.742  95.193 100.884  1.00 21.15           C
+ATOM   1181  O   ILE A 146      38.124  94.308 100.107  1.00 18.59           O
+ATOM   1182  CB  ILE A 146      36.384  94.155 102.705  1.00 17.49           C
+ATOM   1183  CG1 ILE A 146      35.026  94.214 103.439  1.00 20.53           C
+ATOM   1184  CG2 ILE A 146      37.597  94.422 103.625  1.00 17.63           C
+ATOM   1185  CD1 ILE A 146      34.728  92.988 104.289  1.00 22.98           C
+ATOM   1186  N   LYS A 147      38.500  96.236 101.229  1.00 16.48           N
+ATOM   1187  CA  LYS A 147      39.898  96.334 100.784  1.00 16.61           C
+ATOM   1188  C   LYS A 147      40.712  96.999 101.884  1.00 15.81           C
+ATOM   1189  O   LYS A 147      40.177  97.776 102.674  1.00 16.19           O
+ATOM   1190  CB  LYS A 147      40.003  97.150  99.490  1.00 15.94           C
+ATOM   1191  CG  LYS A 147      39.458  98.591  99.610  1.00 16.29           C
+ATOM   1192  CD  LYS A 147      39.286  99.269  98.257  1.00 16.33           C
+ATOM   1193  CE  LYS A 147      38.788 100.714  98.418  1.00 22.01           C
+ATOM   1194  NZ  LYS A 147      38.608 101.420  97.116  1.00 20.51           N
+ATOM   1195  N   LEU A 148      41.995  96.668 101.953  1.00 13.45           N
+ATOM   1196  CA  LEU A 148      42.861  97.282 102.958  1.00 15.98           C
+ATOM   1197  C   LEU A 148      44.036  97.888 102.230  1.00 16.09           C
+ATOM   1198  O   LEU A 148      44.474  97.346 101.219  1.00 17.18           O
+ATOM   1199  CB  LEU A 148      43.375  96.231 103.935  1.00 15.22           C
+ATOM   1200  CG  LEU A 148      42.384  95.789 105.016  1.00 18.93           C
+ATOM   1201  CD1 LEU A 148      41.467  94.657 104.540  1.00 16.31           C
+ATOM   1202  CD2 LEU A 148      43.146  95.371 106.234  1.00 17.77           C
+ATOM   1203  N   ILE A 149      44.560  98.997 102.741  1.00 14.58           N
+ATOM   1204  CA  ILE A 149      45.746  99.595 102.132  1.00 13.97           C
+ATOM   1205  C   ILE A 149      46.668 100.075 103.251  1.00 18.90           C
+ATOM   1206  O   ILE A 149      46.218 100.735 104.187  1.00 19.23           O
+ATOM   1207  CB  ILE A 149      45.374 100.757 101.157  1.00 15.20           C
+ATOM   1208  CG1 ILE A 149      46.624 101.446 100.590  1.00 25.33           C
+ATOM   1209  CG2 ILE A 149      44.527 101.839 101.859  1.00 16.41           C
+ATOM   1210  CD1 ILE A 149      47.432 100.620  99.666  1.00 26.95           C
+ATOM   1211  N   GLY A 150      47.940  99.695 103.189  1.00 15.41           N
+ATOM   1212  CA  GLY A 150      48.905 100.190 104.158  1.00 15.24           C
+ATOM   1213  C   GLY A 150      50.067 100.902 103.483  1.00 17.15           C
+ATOM   1214  O   GLY A 150      50.397 100.620 102.343  1.00 17.76           O
+ATOM   1215  N   TYR A 151      50.683 101.827 104.212  1.00 17.60           N
+ATOM   1216  CA  TYR A 151      51.879 102.531 103.758  1.00 15.83           C
+ATOM   1217  C   TYR A 151      53.033 102.086 104.645  1.00 13.57           C
+ATOM   1218  O   TYR A 151      52.958 102.215 105.874  1.00 15.68           O
+ATOM   1219  CB  TYR A 151      51.650 104.036 103.907  1.00 16.46           C
+ATOM   1220  CG  TYR A 151      52.876 104.897 103.728  1.00 20.13           C
+ATOM   1221  CD1 TYR A 151      53.890 104.542 102.832  1.00 18.16           C
+ATOM   1222  CD2 TYR A 151      53.030 106.066 104.466  1.00 22.13           C
+ATOM   1223  CE1 TYR A 151      55.010 105.334 102.677  1.00 24.17           C
+ATOM   1224  CE2 TYR A 151      54.151 106.870 104.312  1.00 22.61           C
+ATOM   1225  CZ  TYR A 151      55.133 106.504 103.414  1.00 31.77           C
+ATOM   1226  OH  TYR A 151      56.255 107.301 103.266  1.00 28.94           O
+ATOM   1227  N   PHE A 152      54.092 101.557 104.030  1.00 16.67           N
+ATOM   1228  CA  PHE A 152      55.267 101.080 104.762  1.00 15.46           C
+ATOM   1229  C   PHE A 152      56.567 101.594 104.109  1.00 16.91           C
+ATOM   1230  O   PHE A 152      56.558 102.083 102.989  1.00 18.59           O
+ATOM   1231  CB  PHE A 152      55.267  99.550 104.831  1.00 14.34           C
+ATOM   1232  CG  PHE A 152      53.960  98.962 105.321  1.00 16.68           C
+ATOM   1233  CD1 PHE A 152      53.673  98.913 106.673  1.00 20.16           C
+ATOM   1234  CD2 PHE A 152      53.011  98.495 104.419  1.00 16.69           C
+ATOM   1235  CE1 PHE A 152      52.472  98.391 107.125  1.00 17.86           C
+ATOM   1236  CE2 PHE A 152      51.820  97.953 104.864  1.00 17.35           C
+ATOM   1237  CZ  PHE A 152      51.545  97.903 106.213  1.00 18.58           C
+ATOM   1238  N   LYS A 153      57.672 101.508 104.835  1.00 20.25           N
+ATOM   1239  CA  LYS A 153      58.931 102.072 104.354  1.00 17.51           C
+ATOM   1240  C   LYS A 153      59.370 101.397 103.054  1.00 17.65           C
+ATOM   1241  O   LYS A 153      59.714 102.065 102.072  1.00 20.60           O
+ATOM   1242  CB  LYS A 153      60.006 101.933 105.439  1.00 21.49           C
+ATOM   1243  CG  LYS A 153      61.290 102.686 105.120  1.00 25.98           C
+ATOM   1244  CD  LYS A 153      62.273 102.585 106.272  1.00 22.77           C
+ATOM   1245  CE  LYS A 153      63.572 103.325 105.909  1.00 25.79           C
+ATOM   1246  NZ  LYS A 153      64.473 103.303 107.078  1.00 23.16           N
+ATOM   1247  N   ASN A 154      59.335 100.069 103.069  1.00 20.40           N
+ATOM   1248  CA  ASN A 154      59.749  99.217 101.943  1.00 20.34           C
+ATOM   1249  C   ASN A 154      59.429  97.778 102.316  1.00 18.97           C
+ATOM   1250  O   ASN A 154      58.968  97.531 103.427  1.00 19.81           O
+ATOM   1251  CB  ASN A 154      61.254  99.373 101.673  1.00 21.40           C
+ATOM   1252  CG  ASN A 154      62.085  99.151 102.908  1.00 20.14           C
+ATOM   1253  OD1 ASN A 154      61.871  98.187 103.653  1.00 22.34           O
+ATOM   1254  ND2 ASN A 154      63.054 100.047 103.144  1.00 23.82           N
+ATOM   1255  N   LYS A 155      59.671  96.832 101.405  1.00 16.56           N
+ATOM   1256  CA  LYS A 155      59.265  95.437 101.610  1.00 18.18           C
+ATOM   1257  C   LYS A 155      59.976  94.793 102.802  1.00 23.56           C
+ATOM   1258  O   LYS A 155      59.610  93.705 103.243  1.00 19.23           O
+ATOM   1259  CB  LYS A 155      59.562  94.598 100.360  1.00 21.39           C
+ATOM   1260  CG  LYS A 155      61.077  94.275 100.215  1.00 19.65           C
+ATOM   1261  CD  LYS A 155      61.379  93.353  99.042  1.00 28.14           C
+ATOM   1262  CE  LYS A 155      62.894  93.271  98.761  1.00 24.62           C
+ATOM   1263  NZ  LYS A 155      63.675  92.721  99.900  1.00 24.51           N
+ATOM   1264  N   ASP A 156      61.010  95.447 103.319  1.00 20.22           N
+ATOM   1265  CA  ASP A 156      61.776  94.845 104.394  1.00 20.28           C
+ATOM   1266  C   ASP A 156      61.341  95.360 105.760  1.00 25.08           C
+ATOM   1267  O   ASP A 156      61.835  94.913 106.792  1.00 27.39           O
+ATOM   1268  CB  ASP A 156      63.282  95.045 104.141  1.00 22.71           C
+ATOM   1269  CG  ASP A 156      63.695  94.492 102.790  1.00 21.40           C
+ATOM   1270  OD1 ASP A 156      63.566  93.272 102.621  1.00 22.99           O
+ATOM   1271  OD2 ASP A 156      64.085  95.265 101.888  1.00 23.71           O
+ATOM   1272  N   SER A 157      60.399  96.294 105.756  1.00 20.84           N
+ATOM   1273  CA  SER A 157      59.813  96.772 106.995  1.00 17.79           C
+ATOM   1274  C   SER A 157      59.169  95.619 107.746  1.00 21.66           C
+ATOM   1275  O   SER A 157      58.398  94.841 107.177  1.00 22.07           O
+ATOM   1276  CB  SER A 157      58.748  97.831 106.712  1.00 18.30           C
+ATOM   1277  OG  SER A 157      58.010  98.103 107.889  1.00 23.87           O
+ATOM   1278  N   GLU A 158      59.481  95.525 109.032  1.00 17.62           N
+ATOM   1279  CA  GLU A 158      58.865  94.543 109.910  1.00 21.17           C
+ATOM   1280  C   GLU A 158      57.330  94.681 109.857  1.00 20.82           C
+ATOM   1281  O   GLU A 158      56.590  93.705 109.984  1.00 20.19           O
+ATOM   1282  CB  GLU A 158      59.368  94.773 111.333  1.00 25.60           C
+ATOM   1283  CG  GLU A 158      58.538  94.164 112.434  1.00 39.76           C
+ATOM   1284  CD  GLU A 158      58.818  94.811 113.800  1.00 50.95           C
+ATOM   1285  OE1 GLU A 158      59.667  95.734 113.875  1.00 48.41           O
+ATOM   1286  OE2 GLU A 158      58.181  94.395 114.798  1.00 53.26           O
+ATOM   1287  N   HIS A 159      56.858  95.899 109.656  1.00 19.35           N
+ATOM   1288  CA  HIS A 159      55.411  96.127 109.652  1.00 22.71           C
+ATOM   1289  C   HIS A 159      54.778  95.746 108.322  1.00 19.67           C
+ATOM   1290  O   HIS A 159      53.603  95.358 108.250  1.00 18.30           O
+ATOM   1291  CB  HIS A 159      55.122  97.567 110.053  1.00 16.06           C
+ATOM   1292  CG  HIS A 159      55.803  97.958 111.326  1.00 19.99           C
+ATOM   1293  ND1 HIS A 159      55.724  97.189 112.470  1.00 22.81           N
+ATOM   1294  CD2 HIS A 159      56.639  98.985 111.619  1.00 23.12           C
+ATOM   1295  CE1 HIS A 159      56.448  97.748 113.424  1.00 22.86           C
+ATOM   1296  NE2 HIS A 159      57.016  98.837 112.933  1.00 25.29           N
+ATOM   1297  N   TYR A 160      55.555  95.835 107.256  1.00 18.48           N
+ATOM   1298  CA  TYR A 160      55.049  95.342 105.979  1.00 18.92           C
+ATOM   1299  C   TYR A 160      54.953  93.813 106.020  1.00 18.11           C
+ATOM   1300  O   TYR A 160      53.997  93.214 105.527  1.00 19.28           O
+ATOM   1301  CB  TYR A 160      55.907  95.819 104.793  1.00 15.63           C
+ATOM   1302  CG  TYR A 160      55.498  95.111 103.529  1.00 19.90           C
+ATOM   1303  CD1 TYR A 160      54.349  95.487 102.850  1.00 19.39           C
+ATOM   1304  CD2 TYR A 160      56.237  94.048 103.037  1.00 21.04           C
+ATOM   1305  CE1 TYR A 160      53.946  94.828 101.716  1.00 22.64           C
+ATOM   1306  CE2 TYR A 160      55.845  93.379 101.900  1.00 24.63           C
+ATOM   1307  CZ  TYR A 160      54.697  93.767 101.242  1.00 28.35           C
+ATOM   1308  OH  TYR A 160      54.298  93.099 100.105  1.00 24.08           O
+ATOM   1309  N   LYS A 161      55.939  93.164 106.617  1.00 17.88           N
+ATOM   1310  CA  LYS A 161      55.907  91.711 106.681  1.00 20.27           C
+ATOM   1311  C   LYS A 161      54.722  91.208 107.481  1.00 18.32           C
+ATOM   1312  O   LYS A 161      54.143  90.171 107.158  1.00 19.44           O
+ATOM   1313  CB  LYS A 161      57.195  91.172 107.293  1.00 20.97           C
+ATOM   1314  CG  LYS A 161      58.391  91.348 106.401  1.00 25.41           C
+ATOM   1315  CD  LYS A 161      59.622  91.087 107.250  1.00 37.05           C
+ATOM   1316  CE  LYS A 161      60.895  91.253 106.473  1.00 43.23           C
+ATOM   1317  NZ  LYS A 161      62.050  91.084 107.401  1.00 50.73           N
+ATOM   1318  N   ALA A 162      54.369  91.937 108.535  1.00 16.81           N
+ATOM   1319  CA  ALA A 162      53.186  91.585 109.316  1.00 18.94           C
+ATOM   1320  C   ALA A 162      51.926  91.716 108.457  1.00 18.99           C
+ATOM   1321  O   ALA A 162      51.047  90.865 108.488  1.00 18.49           O
+ATOM   1322  CB  ALA A 162      53.077  92.487 110.552  1.00 19.02           C
+ATOM   1323  N   PHE A 163      51.860  92.802 107.697  1.00 15.88           N
+ATOM   1324  CA  PHE A 163      50.751  93.073 106.785  1.00 13.87           C
+ATOM   1325  C   PHE A 163      50.616  91.943 105.747  1.00 19.03           C
+ATOM   1326  O   PHE A 163      49.519  91.473 105.462  1.00 18.34           O
+ATOM   1327  CB  PHE A 163      51.010  94.419 106.098  1.00 16.60           C
+ATOM   1328  CG  PHE A 163      49.876  94.913 105.229  1.00 16.39           C
+ATOM   1329  CD1 PHE A 163      48.724  95.444 105.795  1.00 15.32           C
+ATOM   1330  CD2 PHE A 163      49.985  94.892 103.850  1.00 17.81           C
+ATOM   1331  CE1 PHE A 163      47.694  95.945 104.992  1.00 16.08           C
+ATOM   1332  CE2 PHE A 163      48.958  95.395 103.035  1.00 15.76           C
+ATOM   1333  CZ  PHE A 163      47.811  95.921 103.614  1.00 16.47           C
+ATOM   1334  N   LYS A 164      51.737  91.511 105.182  1.00 17.80           N
+ATOM   1335  CA  LYS A 164      51.718  90.424 104.197  1.00 17.53           C
+ATOM   1336  C   LYS A 164      51.248  89.098 104.790  1.00 17.36           C
+ATOM   1337  O   LYS A 164      50.452  88.380 104.168  1.00 23.47           O
+ATOM   1338  CB  LYS A 164      53.098  90.272 103.546  1.00 17.38           C
+ATOM   1339  CG  LYS A 164      53.172  89.219 102.468  1.00 27.59           C
+ATOM   1340  CD  LYS A 164      54.534  89.283 101.779  1.00 31.90           C
+ATOM   1341  CE  LYS A 164      54.766  88.086 100.875  1.00 49.93           C
+ATOM   1342  NZ  LYS A 164      56.095  88.195 100.193  1.00 60.53           N
+ATOM   1343  N   GLU A 165      51.722  88.769 105.989  1.00 16.38           N
+ATOM   1344  CA  GLU A 165      51.217  87.605 106.712  1.00 18.84           C
+ATOM   1345  C   GLU A 165      49.709  87.675 106.920  1.00 22.08           C
+ATOM   1346  O   GLU A 165      49.007  86.671 106.771  1.00 21.73           O
+ATOM   1347  CB  GLU A 165      51.896  87.455 108.072  1.00 24.90           C
+ATOM   1348  CG  GLU A 165      53.397  87.197 107.994  1.00 26.99           C
+ATOM   1349  CD  GLU A 165      53.738  85.863 107.356  0.73 33.92           C
+ATOM   1350  OE1 GLU A 165      54.781  85.784 106.675  0.66 41.74           O
+ATOM   1351  OE2 GLU A 165      52.973  84.892 107.546  0.71 31.51           O
+ATOM   1352  N   ALA A 166      49.207  88.848 107.294  1.00 18.95           N
+ATOM   1353  CA  ALA A 166      47.765  89.010 107.480  1.00 18.84           C
+ATOM   1354  C   ALA A 166      47.032  88.826 106.150  1.00 20.11           C
+ATOM   1355  O   ALA A 166      45.987  88.174 106.087  1.00 22.83           O
+ATOM   1356  CB  ALA A 166      47.434  90.380 108.111  1.00 18.02           C
+ATOM   1357  N   ALA A 167      47.588  89.404 105.092  1.00 19.69           N
+ATOM   1358  CA  ALA A 167      47.027  89.284 103.754  1.00 20.67           C
+ATOM   1359  C   ALA A 167      46.857  87.817 103.327  1.00 22.05           C
+ATOM   1360  O   ALA A 167      45.845  87.439 102.741  1.00 20.25           O
+ATOM   1361  CB  ALA A 167      47.910  90.022 102.761  1.00 18.89           C
+ATOM   1362  N   GLU A 168      47.858  87.002 103.625  1.00 21.77           N
+ATOM   1363  CA  GLU A 168      47.823  85.579 103.285  1.00 25.19           C
+ATOM   1364  C   GLU A 168      46.677  84.844 103.973  1.00 23.72           C
+ATOM   1365  O   GLU A 168      46.127  83.898 103.428  1.00 20.76           O
+ATOM   1366  CB  GLU A 168      49.187  84.917 103.561  1.00 25.06           C
+ATOM   1367  CG  GLU A 168      50.241  85.320 102.522  1.00 23.43           C
+ATOM   1368  CD  GLU A 168      51.687  84.997 102.924  1.00 39.67           C
+ATOM   1369  OE1 GLU A 168      51.924  84.648 104.095  1.00 34.75           O
+ATOM   1370  OE2 GLU A 168      52.595  85.115 102.065  1.00 37.72           O
+ATOM   1371  N   GLU A 169      46.302  85.298 105.158  1.00 19.93           N
+ATOM   1372  CA  GLU A 169      45.231  84.674 105.912  1.00 25.00           C
+ATOM   1373  C   GLU A 169      43.876  84.806 105.195  1.00 28.83           C
+ATOM   1374  O   GLU A 169      43.016  83.956 105.357  1.00 29.45           O
+ATOM   1375  CB  GLU A 169      45.172  85.298 107.309  1.00 29.50           C
+ATOM   1376  CG  GLU A 169      44.251  84.596 108.281  0.40 31.87           C
+ATOM   1377  CD  GLU A 169      44.674  83.165 108.567  0.40 36.03           C
+ATOM   1378  OE1 GLU A 169      45.808  82.941 109.058  1.00 41.32           O
+ATOM   1379  OE2 GLU A 169      43.862  82.263 108.291  0.62 38.54           O
+ATOM   1380  N   PHE A 170      43.689  85.869 104.412  1.00 19.68           N
+ATOM   1381  CA  PHE A 170      42.392  86.135 103.776  1.00 20.24           C
+ATOM   1382  C   PHE A 170      42.431  86.011 102.251  1.00 19.17           C
+ATOM   1383  O   PHE A 170      41.453  86.326 101.569  1.00 21.67           O
+ATOM   1384  CB  PHE A 170      41.893  87.538 104.129  1.00 21.62           C
+ATOM   1385  CG  PHE A 170      41.736  87.775 105.597  1.00 20.64           C
+ATOM   1386  CD1 PHE A 170      40.610  87.322 106.270  1.00 24.11           C
+ATOM   1387  CD2 PHE A 170      42.716  88.447 106.309  1.00 24.52           C
+ATOM   1388  CE1 PHE A 170      40.466  87.534 107.625  1.00 27.12           C
+ATOM   1389  CE2 PHE A 170      42.569  88.671 107.669  1.00 18.39           C
+ATOM   1390  CZ  PHE A 170      41.454  88.209 108.322  1.00 17.87           C
+ATOM   1391  N   HIS A 171      43.575  85.587 101.724  1.00 22.86           N
+ATOM   1392  CA  HIS A 171      43.810  85.540 100.278  1.00 27.50           C
+ATOM   1393  C   HIS A 171      43.000  84.392  99.696  1.00 23.66           C
+ATOM   1394  O   HIS A 171      42.916  83.339 100.314  1.00 26.14           O
+ATOM   1395  CB  HIS A 171      45.304  85.298 100.035  1.00 23.73           C
+ATOM   1396  CG  HIS A 171      45.697  85.203  98.589  1.00 19.74           C
+ATOM   1397  ND1 HIS A 171      45.725  86.295  97.750  1.00 20.79           N
+ATOM   1398  CD2 HIS A 171      46.143  84.154  97.852  1.00 20.95           C
+ATOM   1399  CE1 HIS A 171      46.143  85.919  96.552  1.00 22.20           C
+ATOM   1400  NE2 HIS A 171      46.414  84.628  96.591  1.00 20.01           N
+ATOM   1401  N   PRO A 172      42.370  84.593  98.524  1.00 24.43           N
+ATOM   1402  CA  PRO A 172      42.311  85.809  97.716  1.00 20.40           C
+ATOM   1403  C   PRO A 172      40.997  86.592  97.894  1.00 20.79           C
+ATOM   1404  O   PRO A 172      40.687  87.439  97.058  1.00 20.68           O
+ATOM   1405  CB  PRO A 172      42.374  85.246  96.295  1.00 26.15           C
+ATOM   1406  CG  PRO A 172      41.556  83.946  96.417  1.00 19.98           C
+ATOM   1407  CD  PRO A 172      41.749  83.444  97.825  1.00 22.32           C
+ATOM   1408  N   TYR A 173      40.235  86.315  98.949  1.00 20.45           N
+ATOM   1409  CA  TYR A 173      38.914  86.943  99.122  1.00 21.50           C
+ATOM   1410  C   TYR A 173      38.922  88.432  99.446  1.00 23.79           C
+ATOM   1411  O   TYR A 173      38.016  89.159  99.035  1.00 23.44           O
+ATOM   1412  CB  TYR A 173      38.142  86.258 100.230  1.00 24.15           C
+ATOM   1413  CG  TYR A 173      37.857  84.814  99.970  1.00 21.89           C
+ATOM   1414  CD1 TYR A 173      36.869  84.428  99.073  1.00 27.28           C
+ATOM   1415  CD2 TYR A 173      38.571  83.831 100.640  1.00 29.51           C
+ATOM   1416  CE1 TYR A 173      36.597  83.084  98.856  1.00 29.76           C
+ATOM   1417  CE2 TYR A 173      38.322  82.507 100.423  1.00 26.98           C
+ATOM   1418  CZ  TYR A 173      37.339  82.135  99.539  1.00 21.76           C
+ATOM   1419  OH  TYR A 173      37.110  80.795  99.359  1.00 25.87           O
+ATOM   1420  N   ILE A 174      39.906  88.881 100.219  1.00 18.41           N
+ATOM   1421  CA  ILE A 174      39.955  90.301 100.594  1.00 18.87           C
+ATOM   1422  C   ILE A 174      41.296  90.847 100.149  1.00 20.16           C
+ATOM   1423  O   ILE A 174      42.319  90.419 100.648  1.00 22.96           O
+ATOM   1424  CB  ILE A 174      39.825  90.492 102.109  1.00 21.05           C
+ATOM   1425  CG1 ILE A 174      38.477  89.972 102.600  1.00 21.53           C
+ATOM   1426  CG2 ILE A 174      40.025  91.983 102.492  1.00 18.16           C
+ATOM   1427  CD1 ILE A 174      38.306  90.078 104.096  1.00 26.33           C
+ATOM   1428  N   PRO A 175      41.286  91.772  99.188  1.00 19.66           N
+ATOM   1429  CA  PRO A 175      42.531  92.302  98.628  1.00 23.30           C
+ATOM   1430  C   PRO A 175      43.235  93.242  99.589  1.00 21.08           C
+ATOM   1431  O   PRO A 175      42.577  94.127 100.152  1.00 17.00           O
+ATOM   1432  CB  PRO A 175      42.062  93.073  97.394  1.00 22.71           C
+ATOM   1433  CG  PRO A 175      40.647  93.433  97.675  1.00 23.30           C
+ATOM   1434  CD  PRO A 175      40.090  92.305  98.509  1.00 20.85           C
+ATOM   1435  N   PHE A 176      44.542  93.022  99.766  1.00 14.62           N
+ATOM   1436  CA  PHE A 176      45.415  93.838 100.612  1.00 16.21           C
+ATOM   1437  C   PHE A 176      46.353  94.557  99.647  1.00 17.95           C
+ATOM   1438  O   PHE A 176      46.963  93.931  98.777  1.00 18.45           O
+ATOM   1439  CB  PHE A 176      46.269  92.957 101.529  1.00 16.56           C
+ATOM   1440  CG  PHE A 176      45.579  92.504 102.796  1.00 19.45           C
+ATOM   1441  CD1 PHE A 176      44.360  91.845 102.756  1.00 16.57           C
+ATOM   1442  CD2 PHE A 176      46.187  92.715 104.032  1.00 19.31           C
+ATOM   1443  CE1 PHE A 176      43.751  91.421 103.928  1.00 18.10           C
+ATOM   1444  CE2 PHE A 176      45.587  92.285 105.206  1.00 20.60           C
+ATOM   1445  CZ  PHE A 176      44.354  91.640 105.150  1.00 18.70           C
+ATOM   1446  N   PHE A 177      46.428  95.873  99.782  1.00 14.22           N
+ATOM   1447  CA  PHE A 177      47.266  96.694  98.942  1.00 14.98           C
+ATOM   1448  C   PHE A 177      48.300  97.363  99.828  1.00 20.69           C
+ATOM   1449  O   PHE A 177      48.026  97.660 100.997  1.00 16.84           O
+ATOM   1450  CB  PHE A 177      46.417  97.773  98.282  1.00 15.30           C
+ATOM   1451  CG  PHE A 177      45.399  97.239  97.304  1.00 16.17           C
+ATOM   1452  CD1 PHE A 177      44.149  96.801  97.743  1.00 21.58           C
+ATOM   1453  CD2 PHE A 177      45.691  97.180  95.949  1.00 25.26           C
+ATOM   1454  CE1 PHE A 177      43.210  96.321  96.844  1.00 20.43           C
+ATOM   1455  CE2 PHE A 177      44.757  96.698  95.033  1.00 27.07           C
+ATOM   1456  CZ  PHE A 177      43.513  96.268  95.479  1.00 23.21           C
+ATOM   1457  N   ALA A 178      49.480  97.623  99.270  1.00 16.47           N
+ATOM   1458  CA  ALA A 178      50.483  98.397  99.989  1.00 19.73           C
+ATOM   1459  C   ALA A 178      51.101  99.428  99.070  1.00 21.69           C
+ATOM   1460  O   ALA A 178      51.097  99.269  97.848  1.00 23.48           O
+ATOM   1461  CB  ALA A 178      51.559  97.470 100.552  1.00 16.20           C
+ATOM   1462  N   THR A 179      51.621 100.496  99.662  1.00 23.76           N
+ATOM   1463  CA  THR A 179      52.507 101.399  98.950  1.00 21.28           C
+ATOM   1464  C   THR A 179      53.751 101.690  99.784  1.00 22.26           C
+ATOM   1465  O   THR A 179      53.700 101.698 101.009  1.00 19.24           O
+ATOM   1466  CB  THR A 179      51.810 102.728  98.583  1.00 23.59           C
+ATOM   1467  OG1 THR A 179      52.671 103.498  97.735  1.00 26.42           O
+ATOM   1468  CG2 THR A 179      51.457 103.531  99.838  1.00 20.42           C
+ATOM   1469  N   PHE A 180      54.874 101.892  99.100  1.00 20.25           N
+ATOM   1470  CA  PHE A 180      56.126 102.315  99.737  1.00 25.94           C
+ATOM   1471  C   PHE A 180      56.454 103.758  99.328  1.00 27.98           C
+ATOM   1472  O   PHE A 180      57.496 104.301  99.680  1.00 26.89           O
+ATOM   1473  CB  PHE A 180      57.273 101.376  99.328  1.00 19.79           C
+ATOM   1474  CG  PHE A 180      57.018  99.932  99.631  1.00 25.80           C
+ATOM   1475  CD1 PHE A 180      56.407  99.550 100.826  1.00 21.90           C
+ATOM   1476  CD2 PHE A 180      57.369  98.950  98.716  1.00 23.65           C
+ATOM   1477  CE1 PHE A 180      56.160  98.231 101.097  1.00 20.45           C
+ATOM   1478  CE2 PHE A 180      57.122  97.620  98.981  1.00 21.19           C
+ATOM   1479  CZ  PHE A 180      56.525  97.248 100.175  1.00 22.97           C
+ATOM   1480  N   ASP A 181      55.539 104.368  98.585  1.00 31.80           N
+ATOM   1481  CA  ASP A 181      55.746 105.685  97.998  1.00 32.68           C
+ATOM   1482  C   ASP A 181      55.016 106.777  98.766  1.00 27.44           C
+ATOM   1483  O   ASP A 181      53.799 106.783  98.832  1.00 31.76           O
+ATOM   1484  CB  ASP A 181      55.265 105.681  96.546  1.00 36.58           C
+ATOM   1485  CG  ASP A 181      55.575 106.980  95.833  1.00 49.40           C
+ATOM   1486  OD1 ASP A 181      54.897 107.283  94.832  1.00 49.38           O
+ATOM   1487  OD2 ASP A 181      56.493 107.698  96.284  1.00 47.10           O
+ATOM   1488  N   SER A 182      55.772 107.714  99.324  1.00 30.98           N
+ATOM   1489  CA  SER A 182      55.225 108.770 100.166  1.00 33.31           C
+ATOM   1490  C   SER A 182      54.221 109.643  99.436  1.00 31.98           C
+ATOM   1491  O   SER A 182      53.310 110.197 100.052  1.00 28.54           O
+ATOM   1492  CB  SER A 182      56.352 109.646 100.704  1.00 37.22           C
+ATOM   1493  OG  SER A 182      57.050 110.235  99.625  1.00 33.29           O
+ATOM   1494  N   LYS A 183      54.383 109.772  98.126  1.00 34.19           N
+ATOM   1495  CA  LYS A 183      53.452 110.582  97.351  1.00 42.81           C
+ATOM   1496  C   LYS A 183      52.093 109.890  97.249  1.00 34.63           C
+ATOM   1497  O   LYS A 183      51.050 110.533  97.334  1.00 32.74           O
+ATOM   1498  CB  LYS A 183      54.023 110.893  95.967  1.00 44.18           C
+ATOM   1499  CG  LYS A 183      55.428 111.487  96.020  1.00 54.89           C
+ATOM   1500  CD  LYS A 183      55.853 112.043  94.670  1.00 71.76           C
+ATOM   1501  CE  LYS A 183      55.054 113.288  94.305  1.00 79.52           C
+ATOM   1502  NZ  LYS A 183      55.390 114.449  95.181  1.00 84.20           N
+ATOM   1503  N   VAL A 184      52.113 108.577  97.066  1.00 35.48           N
+ATOM   1504  CA  VAL A 184      50.879 107.803  97.031  1.00 30.18           C
+ATOM   1505  C   VAL A 184      50.227 107.850  98.400  1.00 23.73           C
+ATOM   1506  O   VAL A 184      49.021 108.064  98.520  1.00 33.91           O
+ATOM   1507  CB  VAL A 184      51.139 106.329  96.658  1.00 33.75           C
+ATOM   1508  CG1 VAL A 184      49.837 105.524  96.697  1.00 32.21           C
+ATOM   1509  CG2 VAL A 184      51.807 106.230  95.279  1.00 33.42           C
+ATOM   1510  N   ALA A 185      51.038 107.654  99.434  1.00 26.41           N
+ATOM   1511  CA  ALA A 185      50.539 107.655 100.801  1.00 28.42           C
+ATOM   1512  C   ALA A 185      49.868 108.978 101.095  1.00 33.16           C
+ATOM   1513  O   ALA A 185      48.842 109.033 101.771  1.00 26.66           O
+ATOM   1514  CB  ALA A 185      51.670 107.392 101.787  1.00 25.01           C
+ATOM   1515  N   LYS A 186      50.447 110.052 100.573  1.00 30.48           N
+ATOM   1516  CA  LYS A 186      49.857 111.365 100.754  1.00 34.64           C
+ATOM   1517  C   LYS A 186      48.457 111.461 100.136  1.00 24.86           C
+ATOM   1518  O   LYS A 186      47.535 111.979 100.767  1.00 31.99           O
+ATOM   1519  CB  LYS A 186      50.779 112.449 100.187  1.00 36.09           C
+ATOM   1520  CG  LYS A 186      50.234 113.854 100.364  1.00 45.15           C
+ATOM   1521  CD  LYS A 186      50.050 114.206 101.832  1.00 50.50           C
+ATOM   1522  CE  LYS A 186      51.386 114.316 102.553  1.00 72.46           C
+ATOM   1523  NZ  LYS A 186      51.233 114.879 103.928  1.00 67.32           N
+ATOM   1524  N   LYS A 187      48.297 110.967  98.912  1.00 26.46           N
+ATOM   1525  CA  LYS A 187      46.996 111.020  98.236  1.00 31.23           C
+ATOM   1526  C   LYS A 187      45.963 110.176  98.973  1.00 34.82           C
+ATOM   1527  O   LYS A 187      44.781 110.509  99.013  1.00 33.91           O
+ATOM   1528  CB  LYS A 187      47.118 110.544  96.792  1.00 34.77           C
+ATOM   1529  CG  LYS A 187      48.140 111.335  95.968  1.00 47.45           C
+ATOM   1530  CD  LYS A 187      48.223 110.818  94.537  1.00 54.28           C
+ATOM   1531  CE  LYS A 187      49.169 111.656  93.684  1.00 61.60           C
+ATOM   1532  NZ  LYS A 187      49.136 111.226  92.254  1.00 69.21           N
+ATOM   1533  N   LEU A 188      46.432 109.080  99.555  1.00 28.94           N
+ATOM   1534  CA  LEU A 188      45.595 108.186 100.345  1.00 28.10           C
+ATOM   1535  C   LEU A 188      45.397 108.656 101.780  1.00 29.84           C
+ATOM   1536  O   LEU A 188      44.598 108.078 102.521  1.00 27.41           O
+ATOM   1537  CB  LEU A 188      46.229 106.804 100.355  1.00 26.30           C
+ATOM   1538  CG  LEU A 188      46.256 106.110  98.995  1.00 31.52           C
+ATOM   1539  CD1 LEU A 188      47.034 104.807  99.078  1.00 31.64           C
+ATOM   1540  CD2 LEU A 188      44.843 105.852  98.538  1.00 37.72           C
+ATOM   1541  N   THR A 189      46.131 109.698 102.172  1.00 28.39           N
+ATOM   1542  CA  THR A 189      46.152 110.199 103.555  1.00 23.17           C
+ATOM   1543  C   THR A 189      46.640 109.189 104.613  1.00 26.80           C
+ATOM   1544  O   THR A 189      46.119 109.140 105.726  1.00 26.98           O
+ATOM   1545  CB  THR A 189      44.800 110.811 104.007  1.00 35.71           C
+ATOM   1546  OG1 THR A 189      43.872 109.770 104.343  1.00 30.50           O
+ATOM   1547  CG2 THR A 189      44.219 111.700 102.918  1.00 39.91           C
+ATOM   1548  N   LEU A 190      47.643 108.394 104.263  1.00 20.32           N
+ATOM   1549  CA  LEU A 190      48.194 107.410 105.179  1.00 23.55           C
+ATOM   1550  C   LEU A 190      49.497 107.896 105.803  1.00 22.44           C
+ATOM   1551  O   LEU A 190      50.399 108.330 105.087  1.00 22.49           O
+ATOM   1552  CB  LEU A 190      48.500 106.119 104.414  1.00 20.61           C
+ATOM   1553  CG  LEU A 190      47.321 105.273 103.938  1.00 23.00           C
+ATOM   1554  CD1 LEU A 190      47.822 104.164 103.020  1.00 22.04           C
+ATOM   1555  CD2 LEU A 190      46.591 104.696 105.139  1.00 21.49           C
+ATOM   1556  N   LYS A 191      49.600 107.798 107.121  1.00 21.78           N
+ATOM   1557  CA  LYS A 191      50.891 107.952 107.798  1.00 26.85           C
+ATOM   1558  C   LYS A 191      51.676 106.659 107.687  1.00 24.61           C
+ATOM   1559  O   LYS A 191      51.110 105.626 107.359  1.00 18.58           O
+ATOM   1560  CB  LYS A 191      50.683 108.267 109.268  1.00 23.61           C
+ATOM   1561  CG  LYS A 191      50.093 109.629 109.510  1.00 29.05           C
+ATOM   1562  CD  LYS A 191      49.644 109.762 110.944  1.00 33.21           C
+ATOM   1563  CE  LYS A 191      49.134 111.172 111.219  1.00 31.90           C
+ATOM   1564  NZ  LYS A 191      48.380 111.200 112.501  1.00 46.27           N
+ATOM   1565  N   LEU A 192      52.976 106.698 107.976  1.00 19.93           N
+ATOM   1566  CA  LEU A 192      53.758 105.479 107.899  1.00 21.81           C
+ATOM   1567  C   LEU A 192      53.238 104.422 108.879  1.00 23.24           C
+ATOM   1568  O   LEU A 192      53.006 104.701 110.051  1.00 17.73           O
+ATOM   1569  CB  LEU A 192      55.236 105.764 108.172  1.00 24.57           C
+ATOM   1570  CG  LEU A 192      56.177 104.607 107.845  1.00 21.15           C
+ATOM   1571  CD1 LEU A 192      56.296 104.508 106.339  1.00 17.85           C
+ATOM   1572  CD2 LEU A 192      57.533 104.866 108.496  1.00 27.77           C
+ATOM   1573  N   ASN A 193      53.089 103.204 108.369  1.00 15.49           N
+ATOM   1574  CA  ASN A 193      52.631 102.040 109.121  1.00 15.99           C
+ATOM   1575  C   ASN A 193      51.123 102.058 109.383  1.00 18.64           C
+ATOM   1576  O   ASN A 193      50.582 101.145 110.001  1.00 18.11           O
+ATOM   1577  CB  ASN A 193      53.414 101.867 110.413  1.00 17.51           C
+ATOM   1578  CG  ASN A 193      54.873 101.680 110.156  1.00 21.76           C
+ATOM   1579  OD1 ASN A 193      55.255 100.989 109.213  1.00 20.69           O
+ATOM   1580  ND2 ASN A 193      55.708 102.298 110.980  1.00 19.31           N
+ATOM   1581  N   GLU A 194      50.457 103.081 108.870  1.00 14.97           N
+ATOM   1582  CA  GLU A 194      49.017 103.183 109.036  1.00 17.04           C
+ATOM   1583  C   GLU A 194      48.348 102.268 108.007  1.00 18.00           C
+ATOM   1584  O   GLU A 194      48.802 102.180 106.864  1.00 16.27           O
+ATOM   1585  CB  GLU A 194      48.588 104.629 108.855  1.00 21.32           C
+ATOM   1586  CG  GLU A 194      47.442 105.047 109.713  1.00 31.90           C
+ATOM   1587  CD  GLU A 194      47.283 106.562 109.763  1.00 25.85           C
+ATOM   1588  OE1 GLU A 194      47.309 107.201 108.697  1.00 25.12           O
+ATOM   1589  OE2 GLU A 194      47.141 107.098 110.877  1.00 29.86           O
+ATOM   1590  N   ILE A 195      47.288 101.584 108.430  1.00 15.67           N
+ATOM   1591  CA  ILE A 195      46.494 100.714 107.541  1.00 16.29           C
+ATOM   1592  C   ILE A 195      45.047 101.184 107.547  1.00 17.49           C
+ATOM   1593  O   ILE A 195      44.424 101.235 108.614  1.00 17.93           O
+ATOM   1594  CB  ILE A 195      46.502  99.245 108.003  1.00 17.90           C
+ATOM   1595  CG1 ILE A 195      47.917  98.676 107.977  1.00 13.83           C
+ATOM   1596  CG2 ILE A 195      45.596  98.378 107.083  1.00 14.42           C
+ATOM   1597  CD1 ILE A 195      48.078  97.387 108.824  1.00 14.88           C
+ATOM   1598  N   ASP A 196      44.529 101.546 106.373  1.00 16.43           N
+ATOM   1599  CA  ASP A 196      43.123 101.944 106.242  1.00 17.98           C
+ATOM   1600  C   ASP A 196      42.293 100.760 105.741  1.00 19.09           C
+ATOM   1601  O   ASP A 196      42.673 100.103 104.781  1.00 16.75           O
+ATOM   1602  CB  ASP A 196      42.991 103.112 105.272  1.00 21.23           C
+ATOM   1603  CG  ASP A 196      43.153 104.468 105.958  1.00 22.40           C
+ATOM   1604  OD1 ASP A 196      43.425 104.495 107.177  1.00 21.31           O
+ATOM   1605  OD2 ASP A 196      43.010 105.494 105.265  1.00 20.98           O
+ATOM   1606  N   PHE A 197      41.172 100.509 106.413  1.00 15.41           N
+ATOM   1607  CA  PHE A 197      40.227  99.443 106.073  1.00 17.31           C
+ATOM   1608  C   PHE A 197      39.003 100.087 105.417  1.00 14.06           C
+ATOM   1609  O   PHE A 197      38.360 100.963 106.017  1.00 18.83           O
+ATOM   1610  CB  PHE A 197      39.800  98.715 107.357  1.00 14.38           C
+ATOM   1611  CG  PHE A 197      38.778  97.611 107.137  1.00 16.76           C
+ATOM   1612  CD1 PHE A 197      37.421  97.918 107.034  1.00 18.52           C
+ATOM   1613  CD2 PHE A 197      39.171  96.275 107.089  1.00 17.48           C
+ATOM   1614  CE1 PHE A 197      36.460  96.900 106.835  1.00 16.56           C
+ATOM   1615  CE2 PHE A 197      38.222  95.253 106.898  1.00 17.96           C
+ATOM   1616  CZ  PHE A 197      36.862  95.583 106.776  1.00 18.83           C
+ATOM   1617  N   TYR A 198      38.684  99.678 104.196  1.00 15.10           N
+ATOM   1618  CA  TYR A 198      37.519 100.224 103.503  1.00 14.30           C
+ATOM   1619  C   TYR A 198      36.426  99.164 103.437  1.00 20.04           C
+ATOM   1620  O   TYR A 198      36.571  98.167 102.731  1.00 15.76           O
+ATOM   1621  CB  TYR A 198      37.855 100.638 102.069  1.00 19.35           C
+ATOM   1622  CG  TYR A 198      38.692 101.893 101.926  1.00 17.67           C
+ATOM   1623  CD1 TYR A 198      40.075 101.860 102.114  1.00 20.27           C
+ATOM   1624  CD2 TYR A 198      38.109 103.102 101.560  1.00 19.25           C
+ATOM   1625  CE1 TYR A 198      40.848 102.999 101.958  1.00 18.66           C
+ATOM   1626  CE2 TYR A 198      38.874 104.253 101.408  1.00 24.52           C
+ATOM   1627  CZ  TYR A 198      40.234 104.200 101.615  1.00 21.43           C
+ATOM   1628  OH  TYR A 198      40.999 105.336 101.455  1.00 22.70           O
+ATOM   1629  N   GLU A 199      35.334  99.388 104.160  1.00 14.71           N
+ATOM   1630  CA  GLU A 199      34.187  98.495 104.087  1.00 16.99           C
+ATOM   1631  C   GLU A 199      33.620  98.594 102.683  1.00 14.19           C
+ATOM   1632  O   GLU A 199      33.626  99.677 102.076  1.00 17.86           O
+ATOM   1633  CB  GLU A 199      33.134  98.899 105.143  1.00 20.44           C
+ATOM   1634  CG  GLU A 199      31.837  98.065 105.121  1.00 16.09           C
+ATOM   1635  CD  GLU A 199      30.811  98.542 106.159  1.00 27.22           C
+ATOM   1636  OE1 GLU A 199      31.221  99.151 107.170  1.00 22.41           O
+ATOM   1637  OE2 GLU A 199      29.595  98.309 105.960  1.00 25.85           O
+ATOM   1638  N   ALA A 200      33.144  97.468 102.153  1.00 15.51           N
+ATOM   1639  CA  ALA A 200      32.484  97.469 100.852  1.00 19.83           C
+ATOM   1640  C   ALA A 200      31.442  98.584 100.747  1.00 22.39           C
+ATOM   1641  O   ALA A 200      30.648  98.787 101.664  1.00 20.73           O
+ATOM   1642  CB  ALA A 200      31.812  96.103 100.600  1.00 17.56           C
+ATOM   1643  N   PHE A 201      31.464  99.297  99.627  1.00 16.76           N
+ATOM   1644  CA  PHE A 201      30.483 100.330  99.300  1.00 20.52           C
+ATOM   1645  C   PHE A 201      30.543 101.553 100.206  1.00 27.03           C
+ATOM   1646  O   PHE A 201      29.698 102.429 100.100  1.00 25.28           O
+ATOM   1647  CB  PHE A 201      29.057  99.746  99.260  1.00 21.09           C
+ATOM   1648  CG  PHE A 201      28.909  98.589  98.287  1.00 18.18           C
+ATOM   1649  CD1 PHE A 201      28.867  98.828  96.920  1.00 23.53           C
+ATOM   1650  CD2 PHE A 201      28.844  97.280  98.745  1.00 18.09           C
+ATOM   1651  CE1 PHE A 201      28.750  97.791  96.023  1.00 18.19           C
+ATOM   1652  CE2 PHE A 201      28.725  96.228  97.848  1.00 17.13           C
+ATOM   1653  CZ  PHE A 201      28.681  96.493  96.483  1.00 18.28           C
+ATOM   1654  N   MET A 202      31.546 101.621 101.078  1.00 24.87           N
+ATOM   1655  CA  MET A 202      31.711 102.784 101.954  1.00 25.72           C
+ATOM   1656  C   MET A 202      32.784 103.723 101.400  1.00 23.21           C
+ATOM   1657  O   MET A 202      33.842 103.278 100.958  1.00 23.55           O
+ATOM   1658  CB  MET A 202      32.075 102.362 103.383  1.00 24.73           C
+ATOM   1659  CG  MET A 202      30.992 101.581 104.119  1.00 27.18           C
+ATOM   1660  SD  MET A 202      29.541 102.615 104.440  1.00 29.97           S
+ATOM   1661  CE  MET A 202      28.285 101.361 104.652  1.00 33.36           C
+ATOM   1662  N   GLU A 203      32.509 105.022 101.428  1.00 22.40           N
+ATOM   1663  CA  GLU A 203      33.471 106.016 100.954  1.00 32.78           C
+ATOM   1664  C   GLU A 203      34.630 106.226 101.927  1.00 27.77           C
+ATOM   1665  O   GLU A 203      35.786 106.354 101.525  1.00 27.47           O
+ATOM   1666  CB  GLU A 203      32.768 107.351 100.717  1.00 39.65           C
+ATOM   1667  CG  GLU A 203      31.738 107.302  99.601  1.00 53.20           C
+ATOM   1668  CD  GLU A 203      32.028 108.304  98.497  1.00 79.84           C
+ATOM   1669  OE1 GLU A 203      32.962 109.122  98.663  1.00 83.69           O
+ATOM   1670  OE2 GLU A 203      31.322 108.269  97.463  1.00 79.01           O
+ATOM   1671  N   GLU A 204      34.316 106.285 103.211  1.00 22.46           N
+ATOM   1672  CA  GLU A 204      35.334 106.616 104.196  1.00 25.83           C
+ATOM   1673  C   GLU A 204      35.852 105.365 104.881  1.00 21.21           C
+ATOM   1674  O   GLU A 204      35.063 104.530 105.336  1.00 21.63           O
+ATOM   1675  CB  GLU A 204      34.773 107.583 105.238  1.00 29.36           C
+ATOM   1676  CG  GLU A 204      34.436 108.967 104.669  1.00 43.48           C
+ATOM   1677  CD  GLU A 204      35.631 109.639 103.987  1.00 60.63           C
+ATOM   1678  OE1 GLU A 204      35.449 110.202 102.884  1.00 65.03           O
+ATOM   1679  OE2 GLU A 204      36.752 109.605 104.548  1.00 58.00           O
+ATOM   1680  N   PRO A 205      37.184 105.255 105.000  1.00 21.74           N
+ATOM   1681  CA  PRO A 205      37.781 104.072 105.628  1.00 17.79           C
+ATOM   1682  C   PRO A 205      37.779 104.193 107.131  1.00 22.58           C
+ATOM   1683  O   PRO A 205      37.466 105.241 107.660  1.00 24.25           O
+ATOM   1684  CB  PRO A 205      39.227 104.092 105.096  1.00 21.03           C
+ATOM   1685  CG  PRO A 205      39.513 105.530 104.843  1.00 22.03           C
+ATOM   1686  CD  PRO A 205      38.200 106.135 104.382  1.00 24.84           C
+ATOM   1687  N   VAL A 206      38.107 103.108 107.809  1.00 17.64           N
+ATOM   1688  CA  VAL A 206      38.347 103.130 109.230  1.00 20.32           C
+ATOM   1689  C   VAL A 206      39.817 102.733 109.394  1.00 25.81           C
+ATOM   1690  O   VAL A 206      40.272 101.742 108.812  1.00 21.79           O
+ATOM   1691  CB  VAL A 206      37.436 102.121 109.966  1.00 23.22           C
+ATOM   1692  CG1 VAL A 206      37.798 102.039 111.441  1.00 27.67           C
+ATOM   1693  CG2 VAL A 206      35.975 102.490 109.789  1.00 29.68           C
+ATOM   1694  N   THR A 207      40.578 103.509 110.155  1.00 24.07           N
+ATOM   1695  CA  THR A 207      42.010 103.207 110.312  1.00 21.55           C
+ATOM   1696  C   THR A 207      42.191 102.171 111.404  1.00 19.29           C
+ATOM   1697  O   THR A 207      41.554 102.252 112.458  1.00 18.69           O
+ATOM   1698  CB  THR A 207      42.824 104.492 110.624  1.00 25.96           C
+ATOM   1699  OG1 THR A 207      42.636 105.432 109.567  1.00 24.15           O
+ATOM   1700  CG2 THR A 207      44.332 104.190 110.741  1.00 20.02           C
+ATOM   1701  N   ILE A 208      42.997 101.149 111.151  1.00 15.07           N
+ATOM   1702  CA  ILE A 208      43.238 100.183 112.209  1.00 17.64           C
+ATOM   1703  C   ILE A 208      43.954 100.879 113.366  1.00 21.83           C
+ATOM   1704  O   ILE A 208      44.985 101.531 113.170  1.00 21.44           O
+ATOM   1705  CB  ILE A 208      43.985  98.942 111.727  1.00 19.29           C
+ATOM   1706  CG1 ILE A 208      43.260  98.342 110.516  1.00 16.01           C
+ATOM   1707  CG2 ILE A 208      44.071  97.902 112.861  1.00 19.81           C
+ATOM   1708  CD1 ILE A 208      43.845  96.977 110.043  1.00 17.72           C
+ATOM   1709  N   PRO A 209      43.387 100.783 114.579  1.00 23.59           N
+ATOM   1710  CA  PRO A 209      43.996 101.485 115.721  1.00 24.75           C
+ATOM   1711  C   PRO A 209      45.318 100.894 116.172  1.00 19.07           C
+ATOM   1712  O   PRO A 209      45.633  99.739 115.881  1.00 18.12           O
+ATOM   1713  CB  PRO A 209      42.946 101.339 116.844  1.00 27.79           C
+ATOM   1714  CG  PRO A 209      42.066 100.239 116.412  1.00 33.46           C
+ATOM   1715  CD  PRO A 209      42.051 100.257 114.908  1.00 20.50           C
+ATOM   1716  N   ASP A 210      46.092 101.718 116.872  1.00 21.58           N
+ATOM   1717  CA  ASP A 210      47.279 101.274 117.593  1.00 22.85           C
+ATOM   1718  C   ASP A 210      48.451 100.866 116.692  1.00 22.74           C
+ATOM   1719  O   ASP A 210      49.201  99.954 117.023  1.00 22.79           O
+ATOM   1720  CB  ASP A 210      46.942 100.150 118.578  1.00 22.84           C
+ATOM   1721  CG  ASP A 210      45.899 100.573 119.618  1.00 36.59           C
+ATOM   1722  OD1 ASP A 210      45.893 101.752 120.031  1.00 31.85           O
+ATOM   1723  OD2 ASP A 210      45.074  99.727 120.019  1.00 37.60           O
+ATOM   1724  N   LYS A 211      48.597 101.547 115.561  1.00 21.88           N
+ATOM   1725  CA  LYS A 211      49.717 101.264 114.668  1.00 15.55           C
+ATOM   1726  C   LYS A 211      51.000 101.499 115.454  1.00 28.41           C
+ATOM   1727  O   LYS A 211      50.997 102.243 116.429  1.00 23.82           O
+ATOM   1728  CB  LYS A 211      49.677 102.167 113.442  1.00 21.04           C
+ATOM   1729  CG  LYS A 211      49.842 103.649 113.759  1.00 25.63           C
+ATOM   1730  CD  LYS A 211      50.488 104.401 112.604  1.00 26.49           C
+ATOM   1731  CE  LYS A 211      50.912 105.806 113.052  1.00 30.46           C
+ATOM   1732  NZ  LYS A 211      49.793 106.512 113.768  1.00 37.30           N
+ATOM   1733  N   PRO A 212      52.093 100.843 115.053  1.00 24.17           N
+ATOM   1734  CA  PRO A 212      52.124  99.859 113.963  1.00 22.81           C
+ATOM   1735  C   PRO A 212      51.421  98.581 114.391  1.00 22.56           C
+ATOM   1736  O   PRO A 212      51.377  98.253 115.581  1.00 23.70           O
+ATOM   1737  CB  PRO A 212      53.630  99.600 113.748  1.00 21.39           C
+ATOM   1738  CG  PRO A 212      54.275 100.004 115.018  1.00 32.66           C
+ATOM   1739  CD  PRO A 212      53.433 101.105 115.612  1.00 25.39           C
+ATOM   1740  N   ASN A 213      50.881  97.852 113.422  1.00 19.81           N
+ATOM   1741  CA  ASN A 213      50.013  96.727 113.743  1.00 19.04           C
+ATOM   1742  C   ASN A 213      50.679  95.389 113.558  1.00 20.98           C
+ATOM   1743  O   ASN A 213      51.300  95.112 112.520  1.00 21.37           O
+ATOM   1744  CB  ASN A 213      48.761  96.767 112.878  1.00 17.59           C
+ATOM   1745  CG  ASN A 213      47.947  98.028 113.088  1.00 20.03           C
+ATOM   1746  OD1 ASN A 213      47.700  98.779 112.149  1.00 19.01           O
+ATOM   1747  ND2 ASN A 213      47.537  98.268 114.322  1.00 19.16           N
+ATOM   1748  N   SER A 214      50.514  94.532 114.557  1.00 17.95           N
+ATOM   1749  CA  SER A 214      50.982  93.171 114.442  1.00 20.59           C
+ATOM   1750  C   SER A 214      50.085  92.433 113.459  1.00 19.86           C
+ATOM   1751  O   SER A 214      48.978  92.895 113.126  1.00 17.86           O
+ATOM   1752  CB  SER A 214      50.920  92.485 115.806  1.00 20.90           C
+ATOM   1753  OG  SER A 214      49.564  92.393 116.221  1.00 24.20           O
+ATOM   1754  N   GLU A 215      50.577  91.302 112.979  1.00 16.76           N
+ATOM   1755  CA  GLU A 215      49.772  90.415 112.152  1.00 22.47           C
+ATOM   1756  C   GLU A 215      48.447  90.097 112.846  1.00 21.37           C
+ATOM   1757  O   GLU A 215      47.399  90.146 112.226  1.00 16.99           O
+ATOM   1758  CB  GLU A 215      50.566  89.138 111.859  1.00 22.44           C
+ATOM   1759  CG  GLU A 215      49.760  87.978 111.362  1.00 27.15           C
+ATOM   1760  CD  GLU A 215      50.586  86.708 111.312  1.00 38.15           C
+ATOM   1761  OE1 GLU A 215      51.834  86.792 111.438  1.00 34.07           O
+ATOM   1762  OE2 GLU A 215      49.986  85.629 111.149  1.00 36.07           O
+ATOM   1763  N   GLU A 216      48.496  89.780 114.138  1.00 18.92           N
+ATOM   1764  CA  GLU A 216      47.270  89.448 114.871  1.00 22.74           C
+ATOM   1765  C   GLU A 216      46.285  90.626 114.984  1.00 19.03           C
+ATOM   1766  O   GLU A 216      45.066  90.430 114.891  1.00 18.52           O
+ATOM   1767  CB  GLU A 216      47.607  88.913 116.266  1.00 25.08           C
+ATOM   1768  CG  GLU A 216      48.329  87.578 116.254  1.00 24.66           C
+ATOM   1769  CD  GLU A 216      49.828  87.705 116.056  1.00 32.74           C
+ATOM   1770  OE1 GLU A 216      50.337  88.844 115.919  1.00 26.62           O
+ATOM   1771  OE2 GLU A 216      50.500  86.657 116.037  1.00 35.96           O
+ATOM   1772  N   GLU A 217      46.801  91.838 115.194  1.00 17.78           N
+ATOM   1773  CA  GLU A 217      45.938  93.013 115.273  1.00 18.81           C
+ATOM   1774  C   GLU A 217      45.168  93.201 113.967  1.00 18.56           C
+ATOM   1775  O   GLU A 217      43.987  93.539 113.971  1.00 15.86           O
+ATOM   1776  CB  GLU A 217      46.748  94.276 115.585  1.00 17.75           C
+ATOM   1777  CG  GLU A 217      46.995  94.507 117.059  1.00 23.90           C
+ATOM   1778  CD  GLU A 217      48.030  95.590 117.321  1.00 30.53           C
+ATOM   1779  OE1 GLU A 217      48.692  96.033 116.370  1.00 25.28           O
+ATOM   1780  OE2 GLU A 217      48.199  95.998 118.483  1.00 40.23           O
+ATOM   1781  N   ILE A 218      45.841  92.967 112.848  1.00 18.65           N
+ATOM   1782  CA  ILE A 218      45.202  93.146 111.545  1.00 16.54           C
+ATOM   1783  C   ILE A 218      44.141  92.086 111.333  1.00 16.66           C
+ATOM   1784  O   ILE A 218      42.990  92.394 110.982  1.00 15.67           O
+ATOM   1785  CB  ILE A 218      46.242  93.095 110.411  1.00 15.87           C
+ATOM   1786  CG1 ILE A 218      47.315  94.164 110.655  1.00 14.98           C
+ATOM   1787  CG2 ILE A 218      45.566  93.291 109.046  1.00 17.76           C
+ATOM   1788  CD1 ILE A 218      48.541  94.032 109.733  1.00 15.20           C
+ATOM   1789  N   VAL A 219      44.528  90.836 111.553  1.00 16.85           N
+ATOM   1790  CA  VAL A 219      43.586  89.718 111.415  1.00 17.05           C
+ATOM   1791  C   VAL A 219      42.377  89.890 112.330  1.00 17.41           C
+ATOM   1792  O   VAL A 219      41.256  89.663 111.889  1.00 17.32           O
+ATOM   1793  CB  VAL A 219      44.270  88.342 111.651  1.00 17.46           C
+ATOM   1794  CG1 VAL A 219      43.236  87.214 111.757  1.00 21.29           C
+ATOM   1795  CG2 VAL A 219      45.304  88.055 110.551  1.00 18.95           C
+ATOM   1796  N   ASN A 220      42.586  90.263 113.597  1.00 20.12           N
+ATOM   1797  CA  ASN A 220      41.456  90.496 114.518  1.00 17.85           C
+ATOM   1798  C   ASN A 220      40.515  91.566 113.978  1.00 20.77           C
+ATOM   1799  O   ASN A 220      39.297  91.427 114.016  1.00 18.66           O
+ATOM   1800  CB  ASN A 220      41.946  90.979 115.888  1.00 20.77           C
+ATOM   1801  CG  ASN A 220      42.570  89.873 116.717  1.00 39.50           C
+ATOM   1802  OD1 ASN A 220      42.276  88.693 116.521  1.00 44.27           O
+ATOM   1803  ND2 ASN A 220      43.437  90.252 117.664  1.00 37.85           N
+ATOM   1804  N   PHE A 221      41.090  92.667 113.507  1.00 18.05           N
+ATOM   1805  CA  PHE A 221      40.297  93.771 112.988  1.00 13.59           C
+ATOM   1806  C   PHE A 221      39.482  93.343 111.773  1.00 16.90           C
+ATOM   1807  O   PHE A 221      38.288  93.663 111.655  1.00 20.18           O
+ATOM   1808  CB  PHE A 221      41.200  94.958 112.617  1.00 15.98           C
+ATOM   1809  CG  PHE A 221      40.438  96.189 112.255  1.00 20.46           C
+ATOM   1810  CD1 PHE A 221      40.191  97.169 113.205  1.00 21.55           C
+ATOM   1811  CD2 PHE A 221      39.930  96.357 110.970  1.00 17.36           C
+ATOM   1812  CE1 PHE A 221      39.477  98.300 112.879  1.00 22.25           C
+ATOM   1813  CE2 PHE A 221      39.217  97.490 110.639  1.00 20.40           C
+ATOM   1814  CZ  PHE A 221      38.990  98.465 111.601  1.00 22.02           C
+ATOM   1815  N   VAL A 222      40.112  92.620 110.857  1.00 16.20           N
+ATOM   1816  CA  VAL A 222      39.396  92.210 109.643  1.00 19.87           C
+ATOM   1817  C   VAL A 222      38.257  91.254 110.010  1.00 19.92           C
+ATOM   1818  O   VAL A 222      37.132  91.387 109.515  1.00 17.46           O
+ATOM   1819  CB  VAL A 222      40.348  91.583 108.604  1.00 20.57           C
+ATOM   1820  CG1 VAL A 222      39.574  90.986 107.419  1.00 17.94           C
+ATOM   1821  CG2 VAL A 222      41.358  92.654 108.124  1.00 18.09           C
+ATOM   1822  N   GLU A 223      38.535  90.317 110.908  1.00 19.34           N
+ATOM   1823  CA  GLU A 223      37.487  89.386 111.341  1.00 21.95           C
+ATOM   1824  C   GLU A 223      36.313  90.111 111.966  1.00 23.26           C
+ATOM   1825  O   GLU A 223      35.159  89.828 111.633  1.00 22.19           O
+ATOM   1826  CB  GLU A 223      38.030  88.308 112.281  1.00 23.06           C
+ATOM   1827  CG  GLU A 223      38.838  87.248 111.553  1.00 32.46           C
+ATOM   1828  CD  GLU A 223      37.977  86.417 110.594  1.00 30.39           C
+ATOM   1829  OE1 GLU A 223      36.736  86.502 110.671  1.00 39.86           O
+ATOM   1830  OE2 GLU A 223      38.547  85.679 109.769  1.00 47.93           O
+ATOM   1831  N   GLU A 224      36.594  91.046 112.862  1.00 20.69           N
+ATOM   1832  CA  GLU A 224      35.527  91.809 113.480  1.00 24.44           C
+ATOM   1833  C   GLU A 224      34.738  92.613 112.454  1.00 31.22           C
+ATOM   1834  O   GLU A 224      33.571  92.917 112.670  1.00 29.28           O
+ATOM   1835  CB  GLU A 224      36.044  92.744 114.575  1.00 26.47           C
+ATOM   1836  CG  GLU A 224      34.968  93.732 114.997  1.00 39.73           C
+ATOM   1837  CD  GLU A 224      35.295  94.480 116.269  1.00 53.05           C
+ATOM   1838  OE1 GLU A 224      36.336  94.175 116.881  1.00 51.54           O
+ATOM   1839  OE2 GLU A 224      34.504  95.370 116.654  1.00 54.03           O
+ATOM   1840  N   HIS A 225      35.364  92.948 111.332  1.00 21.83           N
+ATOM   1841  CA  HIS A 225      34.697  93.772 110.321  1.00 23.22           C
+ATOM   1842  C   HIS A 225      34.391  92.989 109.048  1.00 22.85           C
+ATOM   1843  O   HIS A 225      34.258  93.557 107.968  1.00 23.46           O
+ATOM   1844  CB  HIS A 225      35.554  94.994 109.989  1.00 21.14           C
+ATOM   1845  CG  HIS A 225      35.690  95.955 111.127  1.00 21.27           C
+ATOM   1846  ND1 HIS A 225      36.577  95.760 112.166  1.00 24.39           N
+ATOM   1847  CD2 HIS A 225      35.044  97.115 111.396  1.00 31.63           C
+ATOM   1848  CE1 HIS A 225      36.471  96.759 113.023  1.00 28.56           C
+ATOM   1849  NE2 HIS A 225      35.552  97.597 112.576  1.00 32.97           N
+ATOM   1850  N   ARG A 226      34.261  91.680 109.197  1.00 19.84           N
+ATOM   1851  CA  ARG A 226      34.094  90.781 108.066  1.00 23.64           C
+ATOM   1852  C   ARG A 226      32.786  91.034 107.303  1.00 21.33           C
+ATOM   1853  O   ARG A 226      32.741  90.897 106.088  1.00 23.19           O
+ATOM   1854  CB  ARG A 226      34.146  89.328 108.563  1.00 26.54           C
+ATOM   1855  CG  ARG A 226      34.346  88.306 107.488  1.00 36.03           C
+ATOM   1856  CD  ARG A 226      35.752  88.408 106.934  1.00 37.91           C
+ATOM   1857  NE  ARG A 226      35.978  87.447 105.862  1.00 45.53           N
+ATOM   1858  CZ  ARG A 226      36.460  86.221 106.051  1.00 54.64           C
+ATOM   1859  NH1 ARG A 226      36.773  85.807 107.275  1.00 43.86           N
+ATOM   1860  NH2 ARG A 226      36.638  85.412 105.013  1.00 58.74           N
+ATOM   1861  N   ARG A 227      31.726  91.409 108.017  1.00 21.39           N
+ATOM   1862  CA  ARG A 227      30.412  91.573 107.385  1.00 20.08           C
+ATOM   1863  C   ARG A 227      30.091  93.025 107.061  1.00 21.58           C
+ATOM   1864  O   ARG A 227      29.833  93.817 107.968  1.00 18.07           O
+ATOM   1865  CB  ARG A 227      29.308  90.993 108.293  1.00 23.07           C
+ATOM   1866  CG  ARG A 227      27.922  90.974 107.647  1.00 20.34           C
+ATOM   1867  CD  ARG A 227      26.824  90.624 108.649  1.00 22.85           C
+ATOM   1868  NE  ARG A 227      26.996  89.286 109.206  1.00 26.57           N
+ATOM   1869  CZ  ARG A 227      27.141  89.026 110.505  1.00 46.00           C
+ATOM   1870  NH1 ARG A 227      27.140  90.015 111.395  1.00 42.21           N
+ATOM   1871  NH2 ARG A 227      27.283  87.775 110.921  1.00 41.86           N
+ATOM   1872  N   SER A 228      30.084  93.374 105.776  1.00 18.34           N
+ATOM   1873  CA  SER A 228      29.736  94.734 105.367  1.00 18.58           C
+ATOM   1874  C   SER A 228      28.222  94.929 105.462  1.00 23.25           C
+ATOM   1875  O   SER A 228      27.438  93.982 105.307  1.00 18.49           O
+ATOM   1876  CB  SER A 228      30.193  95.019 103.931  1.00 15.94           C
+ATOM   1877  OG  SER A 228      31.605  94.878 103.803  1.00 21.84           O
+ATOM   1878  N   THR A 229      27.824  96.167 105.714  1.00 19.72           N
+ATOM   1879  CA  THR A 229      26.415  96.524 105.814  1.00 18.48           C
+ATOM   1880  C   THR A 229      25.697  96.217 104.504  1.00 16.67           C
+ATOM   1881  O   THR A 229      24.581  95.728 104.513  1.00 19.82           O
+ATOM   1882  CB  THR A 229      26.264  98.010 106.173  1.00 20.81           C
+ATOM   1883  OG1 THR A 229      26.919  98.243 107.423  1.00 20.11           O
+ATOM   1884  CG2 THR A 229      24.781  98.399 106.295  1.00 18.01           C
+ATOM   1885  N   LEU A 230      26.354  96.498 103.378  1.00 17.26           N
+ATOM   1886  CA  LEU A 230      25.870  96.056 102.076  1.00 14.90           C
+ATOM   1887  C   LEU A 230      26.938  95.131 101.504  1.00 16.43           C
+ATOM   1888  O   LEU A 230      28.099  95.526 101.395  1.00 15.75           O
+ATOM   1889  CB  LEU A 230      25.696  97.259 101.147  1.00 13.66           C
+ATOM   1890  CG  LEU A 230      25.222  97.007  99.711  1.00 18.39           C
+ATOM   1891  CD1 LEU A 230      23.902  96.229  99.727  1.00 20.73           C
+ATOM   1892  CD2 LEU A 230      25.060  98.294  98.921  1.00 19.43           C
+ATOM   1893  N   ARG A 231      26.571  93.900 101.176  1.00 16.72           N
+ATOM   1894  CA  ARG A 231      27.557  92.994 100.583  1.00 19.12           C
+ATOM   1895  C   ARG A 231      27.003  92.350  99.324  1.00 19.90           C
+ATOM   1896  O   ARG A 231      25.810  92.081  99.236  1.00 16.84           O
+ATOM   1897  CB  ARG A 231      28.003  91.935 101.592  1.00 18.00           C
+ATOM   1898  CG  ARG A 231      26.867  91.212 102.259  1.00 20.61           C
+ATOM   1899  CD  ARG A 231      27.400  90.300 103.385  1.00 23.11           C
+ATOM   1900  NE  ARG A 231      26.295  89.790 104.192  1.00 25.92           N
+ATOM   1901  CZ  ARG A 231      26.381  88.764 105.025  1.00 25.06           C
+ATOM   1902  NH1 ARG A 231      27.517  88.106 105.150  1.00 20.53           N
+ATOM   1903  NH2 ARG A 231      25.318  88.392 105.720  1.00 26.93           N
+ATOM   1904  N   LYS A 232      27.862  92.140  98.330  1.00 14.80           N
+ATOM   1905  CA  LYS A 232      27.402  91.540  97.083  1.00 16.25           C
+ATOM   1906  C   LYS A 232      27.493  90.014  97.115  1.00 18.31           C
+ATOM   1907  O   LYS A 232      28.492  89.465  97.563  1.00 19.50           O
+ATOM   1908  CB  LYS A 232      28.226  92.070  95.917  1.00 16.34           C
+ATOM   1909  CG  LYS A 232      27.654  91.703  94.544  1.00 15.06           C
+ATOM   1910  CD  LYS A 232      28.474  92.406  93.442  1.00 18.72           C
+ATOM   1911  CE  LYS A 232      27.831  92.151  92.084  1.00 18.53           C
+ATOM   1912  NZ  LYS A 232      28.496  92.901  90.989  1.00 21.62           N
+ATOM   1913  N   LEU A 233      26.458  89.327  96.637  1.00 14.01           N
+ATOM   1914  CA  LEU A 233      26.540  87.878  96.472  1.00 14.78           C
+ATOM   1915  C   LEU A 233      27.421  87.631  95.264  1.00 17.99           C
+ATOM   1916  O   LEU A 233      27.104  88.080  94.156  1.00 18.68           O
+ATOM   1917  CB  LEU A 233      25.176  87.263  96.193  1.00 15.59           C
+ATOM   1918  CG  LEU A 233      25.128  85.740  96.390  1.00 16.69           C
+ATOM   1919  CD1 LEU A 233      25.254  85.402  97.866  1.00 21.18           C
+ATOM   1920  CD2 LEU A 233      23.851  85.167  95.826  1.00 17.39           C
+ATOM   1921  N   LYS A 234      28.528  86.930  95.475  1.00 18.16           N
+ATOM   1922  CA  LYS A 234      29.465  86.643  94.392  1.00 17.04           C
+ATOM   1923  C   LYS A 234      29.610  85.134  94.245  1.00 14.44           C
+ATOM   1924  O   LYS A 234      29.656  84.423  95.244  1.00 16.95           O
+ATOM   1925  CB  LYS A 234      30.845  87.242  94.725  1.00 15.64           C
+ATOM   1926  CG  LYS A 234      30.803  88.770  94.871  1.00 23.31           C
+ATOM   1927  CD  LYS A 234      32.202  89.344  94.967  1.00 28.90           C
+ATOM   1928  CE  LYS A 234      32.163  90.872  95.047  1.00 23.25           C
+ATOM   1929  NZ  LYS A 234      33.546  91.406  95.275  1.00 27.42           N
+ATOM   1930  N   PRO A 235      29.679  84.643  92.997  1.00 18.15           N
+ATOM   1931  CA  PRO A 235      29.787  83.192  92.762  1.00 16.78           C
+ATOM   1932  C   PRO A 235      30.883  82.529  93.617  1.00 18.46           C
+ATOM   1933  O   PRO A 235      30.673  81.466  94.190  1.00 21.05           O
+ATOM   1934  CB  PRO A 235      30.127  83.120  91.269  1.00 20.53           C
+ATOM   1935  CG  PRO A 235      29.330  84.293  90.691  1.00 21.03           C
+ATOM   1936  CD  PRO A 235      29.590  85.396  91.735  1.00 20.42           C
+ATOM   1937  N   GLU A 236      32.029  83.182  93.737  1.00 20.23           N
+ATOM   1938  CA  GLU A 236      33.168  82.592  94.449  1.00 21.17           C
+ATOM   1939  C   GLU A 236      32.920  82.418  95.954  1.00 21.79           C
+ATOM   1940  O   GLU A 236      33.632  81.657  96.629  1.00 21.49           O
+ATOM   1941  CB  GLU A 236      34.409  83.463  94.219  1.00 19.12           C
+ATOM   1942  CG  GLU A 236      34.285  84.847  94.868  1.00 26.54           C
+ATOM   1943  CD  GLU A 236      35.586  85.647  94.888  1.00 40.96           C
+ATOM   1944  OE1 GLU A 236      35.612  86.743  95.512  1.00 34.99           O
+ATOM   1945  OE2 GLU A 236      36.580  85.185  94.287  1.00 42.04           O
+ATOM   1946  N   SER A 237      31.917  83.114  96.488  1.00 20.67           N
+ATOM   1947  CA  SER A 237      31.700  83.134  97.937  1.00 20.47           C
+ATOM   1948  C   SER A 237      30.237  82.995  98.333  1.00 19.75           C
+ATOM   1949  O   SER A 237      29.900  83.192  99.497  1.00 19.88           O
+ATOM   1950  CB  SER A 237      32.284  84.417  98.570  1.00 16.36           C
+ATOM   1951  OG  SER A 237      31.806  85.591  97.932  1.00 17.84           O
+ATOM   1952  N   MET A 238      29.375  82.634  97.385  1.00 16.53           N
+ATOM   1953  CA  MET A 238      27.939  82.726  97.627  1.00 19.22           C
+ATOM   1954  C   MET A 238      27.453  81.944  98.845  1.00 21.09           C
+ATOM   1955  O   MET A 238      26.555  82.403  99.555  1.00 17.95           O
+ATOM   1956  CB  MET A 238      27.139  82.318  96.386  1.00 18.47           C
+ATOM   1957  CG  MET A 238      27.368  80.876  95.972  1.00 20.05           C
+ATOM   1958  SD  MET A 238      26.740  80.540  94.332  1.00 20.00           S
+ATOM   1959  CE  MET A 238      25.009  80.955  94.550  1.00 19.24           C
+ATOM   1960  N   TYR A 239      28.029  80.773  99.100  1.00 19.34           N
+ATOM   1961  CA  TYR A 239      27.503  79.933 100.179  1.00 22.60           C
+ATOM   1962  C   TYR A 239      27.863  80.481 101.561  1.00 22.92           C
+ATOM   1963  O   TYR A 239      27.054  80.430 102.493  1.00 21.56           O
+ATOM   1964  CB  TYR A 239      27.931  78.464 100.003  1.00 23.11           C
+ATOM   1965  CG  TYR A 239      27.412  77.851  98.721  1.00 22.90           C
+ATOM   1966  CD1 TYR A 239      26.060  77.600  98.549  1.00 29.22           C
+ATOM   1967  CD2 TYR A 239      28.271  77.544  97.672  1.00 26.79           C
+ATOM   1968  CE1 TYR A 239      25.574  77.059  97.377  1.00 33.57           C
+ATOM   1969  CE2 TYR A 239      27.790  76.992  96.491  1.00 21.35           C
+ATOM   1970  CZ  TYR A 239      26.442  76.759  96.352  1.00 30.70           C
+ATOM   1971  OH  TYR A 239      25.949  76.220  95.189  1.00 28.79           O
+ATOM   1972  N   GLU A 240      29.068  81.023 101.680  1.00 23.93           N
+ATOM   1973  CA  GLU A 240      29.512  81.653 102.919  1.00 22.25           C
+ATOM   1974  C   GLU A 240      28.639  82.860 103.223  1.00 24.23           C
+ATOM   1975  O   GLU A 240      28.191  83.027 104.349  1.00 24.51           O
+ATOM   1976  CB  GLU A 240      30.962  82.117 102.833  1.00 25.94           C
+ATOM   1977  CG  GLU A 240      31.384  82.952 104.064  1.00 29.25           C
+ATOM   1978  CD  GLU A 240      32.669  83.729 103.856  1.00 43.29           C
+ATOM   1979  OE1 GLU A 240      32.612  84.830 103.272  1.00 39.55           O
+ATOM   1980  OE2 GLU A 240      33.740  83.241 104.278  1.00 53.35           O
+ATOM   1981  N   THR A 241      28.403  83.700 102.216  1.00 21.10           N
+ATOM   1982  CA  THR A 241      27.514  84.842 102.397  1.00 20.68           C
+ATOM   1983  C   THR A 241      26.104  84.415 102.805  1.00 16.25           C
+ATOM   1984  O   THR A 241      25.572  84.916 103.786  1.00 23.63           O
+ATOM   1985  CB  THR A 241      27.457  85.721 101.130  1.00 23.40           C
+ATOM   1986  OG1 THR A 241      28.783  86.153 100.817  1.00 21.14           O
+ATOM   1987  CG2 THR A 241      26.576  86.951 101.353  1.00 19.27           C
+ATOM   1988  N   TRP A 242      25.486  83.509 102.050  1.00 16.90           N
+ATOM   1989  CA  TRP A 242      24.126  83.091 102.378  1.00 20.04           C
+ATOM   1990  C   TRP A 242      24.024  82.406 103.744  1.00 24.02           C
+ATOM   1991  O   TRP A 242      23.046  82.587 104.471  1.00 22.37           O
+ATOM   1992  CB  TRP A 242      23.512  82.199 101.292  1.00 22.41           C
+ATOM   1993  CG  TRP A 242      22.041  82.041 101.515  1.00 24.39           C
+ATOM   1994  CD1 TRP A 242      21.400  80.958 102.044  1.00 24.00           C
+ATOM   1995  CD2 TRP A 242      21.033  83.030 101.272  1.00 19.12           C
+ATOM   1996  NE1 TRP A 242      20.037  81.213 102.132  1.00 25.71           N
+ATOM   1997  CE2 TRP A 242      19.795  82.478 101.661  1.00 21.39           C
+ATOM   1998  CE3 TRP A 242      21.059  84.329 100.754  1.00 22.46           C
+ATOM   1999  CZ2 TRP A 242      18.587  83.182 101.548  1.00 21.31           C
+ATOM   2000  CZ3 TRP A 242      19.851  85.031 100.639  1.00 23.01           C
+ATOM   2001  CH2 TRP A 242      18.638  84.452 101.034  1.00 23.22           C
+ATOM   2002  N   GLU A 243      25.034  81.627 104.106  1.00 27.16           N
+ATOM   2003  CA  GLU A 243      24.961  80.911 105.377  1.00 31.47           C
+ATOM   2004  C   GLU A 243      25.161  81.845 106.577  1.00 28.14           C
+ATOM   2005  O   GLU A 243      24.821  81.490 107.699  1.00 29.21           O
+ATOM   2006  CB  GLU A 243      25.907  79.697 105.377  1.00 32.35           C
+ATOM   2007  CG  GLU A 243      25.421  78.607 104.403  1.00 36.81           C
+ATOM   2008  CD  GLU A 243      26.460  77.521 104.107  1.00 48.36           C
+ATOM   2009  OE1 GLU A 243      26.246  76.732 103.160  1.00 40.91           O
+ATOM   2010  OE2 GLU A 243      27.482  77.448 104.815  1.00 49.09           O
+ATOM   2011  N   ASP A 244      25.654  83.058 106.320  1.00 23.46           N
+ATOM   2012  CA  ASP A 244      25.863  84.069 107.362  1.00 20.85           C
+ATOM   2013  C   ASP A 244      24.588  84.905 107.584  1.00 27.96           C
+ATOM   2014  O   ASP A 244      24.598  86.134 107.439  1.00 27.57           O
+ATOM   2015  CB  ASP A 244      27.028  84.989 106.980  1.00 26.23           C
+ATOM   2016  CG  ASP A 244      27.415  85.955 108.097  1.00 32.46           C
+ATOM   2017  OD1 ASP A 244      27.858  87.082 107.782  1.00 25.11           O
+ATOM   2018  OD2 ASP A 244      27.291  85.593 109.288  1.00 27.11           O
+ATOM   2019  N   ASP A 245      23.496  84.234 107.935  1.00 28.23           N
+ATOM   2020  CA  ASP A 245      22.207  84.913 108.089  1.00 30.37           C
+ATOM   2021  C   ASP A 245      22.164  85.787 109.338  1.00 33.61           C
+ATOM   2022  O   ASP A 245      22.941  85.601 110.273  1.00 28.87           O
+ATOM   2023  CB  ASP A 245      21.064  83.895 108.134  1.00 26.17           C
+ATOM   2024  CG  ASP A 245      21.179  82.953 109.312  1.00 35.21           C
+ATOM   2025  OD1 ASP A 245      20.570  83.234 110.364  1.00 32.47           O
+ATOM   2026  OD2 ASP A 245      21.902  81.946 109.195  1.00 37.48           O
+ATOM   2027  N   MET A 246      21.227  86.728 109.353  1.00 28.95           N
+ATOM   2028  CA  MET A 246      21.048  87.614 110.486  1.00 28.81           C
+ATOM   2029  C   MET A 246      19.826  87.146 111.259  1.00 32.26           C
+ATOM   2030  O   MET A 246      18.723  87.555 110.952  1.00 28.54           O
+ATOM   2031  CB  MET A 246      20.832  89.043 109.987  1.00 27.49           C
+ATOM   2032  CG  MET A 246      21.863  89.480 108.963  0.49 30.57           C
+ATOM   2033  SD  MET A 246      23.515  89.475 109.690  0.45 29.05           S
+ATOM   2034  CE  MET A 246      23.335  90.800 110.883  1.00 33.08           C
+ATOM   2035  N   ASP A 247      20.026  86.267 112.236  1.00 28.93           N
+ATOM   2036  CA  ASP A 247      18.922  85.727 113.022  1.00 33.78           C
+ATOM   2037  C   ASP A 247      17.860  85.068 112.165  1.00 34.19           C
+ATOM   2038  O   ASP A 247      16.676  85.240 112.433  1.00 33.80           O
+ATOM   2039  CB  ASP A 247      18.236  86.823 113.839  1.00 41.23           C
+ATOM   2040  CG  ASP A 247      19.067  87.292 115.009  1.00 51.60           C
+ATOM   2041  OD1 ASP A 247      19.907  86.508 115.503  1.00 52.11           O
+ATOM   2042  OD2 ASP A 247      18.867  88.450 115.439  1.00 56.30           O
+ATOM   2043  N   GLY A 248      18.270  84.348 111.123  1.00 25.13           N
+ATOM   2044  CA  GLY A 248      17.347  83.507 110.379  1.00 23.66           C
+ATOM   2045  C   GLY A 248      16.730  84.133 109.137  1.00 23.13           C
+ATOM   2046  O   GLY A 248      15.927  83.494 108.454  1.00 23.55           O
+ATOM   2047  N   ILE A 249      17.089  85.379 108.855  1.00 23.92           N
+ATOM   2048  CA  ILE A 249      16.623  86.054 107.638  1.00 24.80           C
+ATOM   2049  C   ILE A 249      17.766  86.795 106.968  1.00 23.45           C
+ATOM   2050  O   ILE A 249      18.801  87.028 107.581  1.00 20.26           O
+ATOM   2051  CB  ILE A 249      15.552  87.121 107.931  1.00 26.13           C
+ATOM   2052  CG1 ILE A 249      16.125  88.185 108.865  1.00 27.16           C
+ATOM   2053  CG2 ILE A 249      14.262  86.487 108.478  1.00 30.36           C
+ATOM   2054  CD1 ILE A 249      15.178  89.309 109.152  1.00 36.67           C
+ATOM   2055  N   HIS A 250      17.549  87.181 105.711  1.00 20.04           N
+ATOM   2056  CA  HIS A 250      18.427  88.088 105.003  1.00 20.60           C
+ATOM   2057  C   HIS A 250      17.529  89.137 104.387  1.00 20.75           C
+ATOM   2058  O   HIS A 250      16.474  88.810 103.852  1.00 20.15           O
+ATOM   2059  CB  HIS A 250      19.126  87.393 103.823  1.00 17.84           C
+ATOM   2060  CG  HIS A 250      20.315  86.565 104.200  1.00 19.98           C
+ATOM   2061  ND1 HIS A 250      21.454  87.107 104.760  1.00 19.42           N
+ATOM   2062  CD2 HIS A 250      20.558  85.240 104.061  1.00 20.27           C
+ATOM   2063  CE1 HIS A 250      22.340  86.149 104.965  1.00 19.62           C
+ATOM   2064  NE2 HIS A 250      21.821  85.006 104.552  1.00 20.82           N
+ATOM   2065  N   ILE A 251      17.967  90.383 104.417  1.00 18.23           N
+ATOM   2066  CA  ILE A 251      17.401  91.367 103.523  1.00 17.33           C
+ATOM   2067  C   ILE A 251      18.121  91.200 102.190  1.00 22.86           C
+ATOM   2068  O   ILE A 251      19.353  91.231 102.146  1.00 19.25           O
+ATOM   2069  CB  ILE A 251      17.607  92.774 104.069  1.00 17.49           C
+ATOM   2070  CG1 ILE A 251      16.956  92.879 105.456  1.00 23.58           C
+ATOM   2071  CG2 ILE A 251      17.032  93.809 103.112  1.00 18.11           C
+ATOM   2072  CD1 ILE A 251      17.390  94.120 106.221  1.00 23.73           C
+ATOM   2073  N   VAL A 252      17.353  91.000 101.118  1.00 17.74           N
+ATOM   2074  CA  VAL A 252      17.921  90.737  99.795  1.00 18.24           C
+ATOM   2075  C   VAL A 252      17.471  91.808  98.813  1.00 21.03           C
+ATOM   2076  O   VAL A 252      16.283  92.118  98.719  1.00 17.23           O
+ATOM   2077  CB  VAL A 252      17.471  89.370  99.240  1.00 16.55           C
+ATOM   2078  CG1 VAL A 252      18.048  89.157  97.825  1.00 20.60           C
+ATOM   2079  CG2 VAL A 252      17.899  88.257 100.160  1.00 18.06           C
+ATOM   2080  N   ALA A 253      18.420  92.394  98.099  1.00 13.61           N
+ATOM   2081  CA  ALA A 253      18.080  93.340  97.046  1.00 12.20           C
+ATOM   2082  C   ALA A 253      18.587  92.861  95.687  1.00 18.56           C
+ATOM   2083  O   ALA A 253      19.765  92.526  95.550  1.00 18.73           O
+ATOM   2084  CB  ALA A 253      18.656  94.691  97.352  1.00 18.05           C
+ATOM   2085  N   PHE A 254      17.702  92.835  94.689  1.00 16.81           N
+ATOM   2086  CA  PHE A 254      18.078  92.494  93.316  1.00 15.58           C
+ATOM   2087  C   PHE A 254      18.211  93.773  92.516  1.00 18.17           C
+ATOM   2088  O   PHE A 254      17.292  94.616  92.479  1.00 18.42           O
+ATOM   2089  CB  PHE A 254      17.007  91.616  92.625  1.00 15.22           C
+ATOM   2090  CG  PHE A 254      16.964  90.198  93.111  1.00 14.55           C
+ATOM   2091  CD1 PHE A 254      17.841  89.239  92.599  1.00 14.61           C
+ATOM   2092  CD2 PHE A 254      16.032  89.811  94.062  1.00 16.69           C
+ATOM   2093  CE1 PHE A 254      17.802  87.938  93.020  1.00 15.75           C
+ATOM   2094  CE2 PHE A 254      15.985  88.498  94.509  1.00 16.32           C
+ATOM   2095  CZ  PHE A 254      16.859  87.553  93.984  1.00 15.19           C
+ATOM   2096  N   ALA A 255      19.342  93.913  91.842  1.00 16.46           N
+ATOM   2097  CA  ALA A 255      19.586  95.098  91.039  1.00 19.24           C
+ATOM   2098  C   ALA A 255      20.591  94.768  89.947  1.00 18.57           C
+ATOM   2099  O   ALA A 255      21.712  94.325  90.229  1.00 18.08           O
+ATOM   2100  CB  ALA A 255      20.114  96.238  91.915  1.00 18.98           C
+ATOM   2101  N   GLU A 256      20.182  94.981  88.703  1.00 16.59           N
+ATOM   2102  CA  GLU A 256      21.066  94.749  87.564  1.00 15.23           C
+ATOM   2103  C   GLU A 256      21.874  96.013  87.303  1.00 17.97           C
+ATOM   2104  O   GLU A 256      21.362  97.019  86.822  1.00 19.84           O
+ATOM   2105  CB  GLU A 256      20.257  94.339  86.327  1.00 19.09           C
+ATOM   2106  CG  GLU A 256      21.139  93.928  85.169  1.00 30.87           C
+ATOM   2107  CD  GLU A 256      20.347  93.489  83.960  1.00 50.56           C
+ATOM   2108  OE1 GLU A 256      19.113  93.266  84.103  1.00 30.15           O
+ATOM   2109  OE2 GLU A 256      20.971  93.377  82.875  1.00 39.08           O
+ATOM   2110  N   GLU A 257      23.153  95.957  87.632  1.00 20.66           N
+ATOM   2111  CA  GLU A 257      23.967  97.160  87.658  1.00 21.15           C
+ATOM   2112  C   GLU A 257      24.012  97.805  86.270  1.00 19.92           C
+ATOM   2113  O   GLU A 257      24.110  99.022  86.147  1.00 23.33           O
+ATOM   2114  CB  GLU A 257      25.376  96.795  88.126  1.00 20.52           C
+ATOM   2115  CG  GLU A 257      26.337  97.945  88.216  1.00 22.87           C
+ATOM   2116  CD  GLU A 257      27.698  97.482  88.688  1.00 24.04           C
+ATOM   2117  OE1 GLU A 257      28.066  96.313  88.421  1.00 23.54           O
+ATOM   2118  OE2 GLU A 257      28.382  98.273  89.352  1.00 26.34           O
+ATOM   2119  N   ALA A 258      23.927  96.978  85.237  1.00 20.07           N
+ATOM   2120  CA  ALA A 258      24.099  97.445  83.860  1.00 25.31           C
+ATOM   2121  C   ALA A 258      22.839  98.102  83.320  1.00 27.00           C
+ATOM   2122  O   ALA A 258      22.836  98.648  82.227  1.00 30.46           O
+ATOM   2123  CB  ALA A 258      24.545  96.290  82.947  1.00 24.35           C
+ATOM   2124  N   ASP A 259      21.778  98.064  84.119  1.00 22.54           N
+ATOM   2125  CA  ASP A 259      20.471  98.560  83.726  1.00 24.80           C
+ATOM   2126  C   ASP A 259      20.252  99.882  84.445  1.00 28.31           C
+ATOM   2127  O   ASP A 259      20.702 100.043  85.575  1.00 27.24           O
+ATOM   2128  CB  ASP A 259      19.423  97.515  84.124  1.00 22.48           C
+ATOM   2129  CG  ASP A 259      18.014  98.012  83.977  1.00 31.75           C
+ATOM   2130  OD1 ASP A 259      17.398  97.727  82.927  1.00 29.70           O
+ATOM   2131  OD2 ASP A 259      17.524  98.674  84.918  1.00 24.22           O
+ATOM   2132  N   PRO A 260      19.596 100.851  83.781  1.00 25.14           N
+ATOM   2133  CA  PRO A 260      19.475 102.198  84.353  1.00 27.88           C
+ATOM   2134  C   PRO A 260      18.762 102.183  85.688  1.00 18.39           C
+ATOM   2135  O   PRO A 260      19.186 102.861  86.623  1.00 24.82           O
+ATOM   2136  CB  PRO A 260      18.604 102.945  83.331  1.00 31.88           C
+ATOM   2137  CG  PRO A 260      18.747 102.192  82.076  1.00 33.87           C
+ATOM   2138  CD  PRO A 260      18.993 100.757  82.443  1.00 33.37           C
+ATOM   2139  N   ASP A 261      17.675 101.430  85.776  1.00 21.82           N
+ATOM   2140  CA  ASP A 261      16.921 101.379  87.024  1.00 25.09           C
+ATOM   2141  C   ASP A 261      17.718 100.602  88.074  1.00 23.26           C
+ATOM   2142  O   ASP A 261      17.745 100.976  89.246  1.00 23.24           O
+ATOM   2143  CB  ASP A 261      15.563 100.721  86.803  1.00 22.43           C
+ATOM   2144  CG  ASP A 261      14.707 101.491  85.816  1.00 31.40           C
+ATOM   2145  OD1 ASP A 261      14.609 102.720  85.968  1.00 33.02           O
+ATOM   2146  OD2 ASP A 261      14.182 100.873  84.874  1.00 35.52           O
+ATOM   2147  N   GLY A 262      18.357  99.519  87.642  1.00 21.80           N
+ATOM   2148  CA  GLY A 262      19.140  98.695  88.558  1.00 20.96           C
+ATOM   2149  C   GLY A 262      20.268  99.516  89.153  1.00 20.52           C
+ATOM   2150  O   GLY A 262      20.546  99.456  90.354  1.00 18.97           O
+ATOM   2151  N   TYR A 263      20.906 100.308  88.298  1.00 18.92           N
+ATOM   2152  CA  TYR A 263      21.983 101.200  88.724  1.00 19.64           C
+ATOM   2153  C   TYR A 263      21.485 102.249  89.722  1.00 19.61           C
+ATOM   2154  O   TYR A 263      22.107 102.478  90.768  1.00 21.74           O
+ATOM   2155  CB  TYR A 263      22.637 101.895  87.522  1.00 26.31           C
+ATOM   2156  CG  TYR A 263      23.677 102.916  87.949  1.00 25.43           C
+ATOM   2157  CD1 TYR A 263      24.988 102.534  88.203  1.00 35.93           C
+ATOM   2158  CD2 TYR A 263      23.334 104.251  88.135  1.00 29.64           C
+ATOM   2159  CE1 TYR A 263      25.944 103.463  88.605  1.00 38.52           C
+ATOM   2160  CE2 TYR A 263      24.285 105.190  88.542  1.00 34.08           C
+ATOM   2161  CZ  TYR A 263      25.587 104.782  88.774  1.00 37.51           C
+ATOM   2162  OH  TYR A 263      26.538 105.697  89.178  1.00 45.84           O
+ATOM   2163  N   GLU A 264      20.366 102.890  89.408  1.00 20.63           N
+ATOM   2164  CA  GLU A 264      19.807 103.889  90.322  1.00 19.49           C
+ATOM   2165  C   GLU A 264      19.474 103.249  91.671  1.00 23.73           C
+ATOM   2166  O   GLU A 264      19.713 103.842  92.726  1.00 22.43           O
+ATOM   2167  CB  GLU A 264      18.548 104.538  89.730  1.00 21.20           C
+ATOM   2168  CG  GLU A 264      17.869 105.537  90.687  0.71 26.51           C
+ATOM   2169  CD  GLU A 264      16.626 106.207  90.104  0.61 32.92           C
+ATOM   2170  OE1 GLU A 264      16.107 107.140  90.753  0.71 48.09           O
+ATOM   2171  OE2 GLU A 264      16.163 105.809  89.011  1.00 35.76           O
+ATOM   2172  N   PHE A 265      18.931 102.032  91.631  1.00 20.41           N
+ATOM   2173  CA  PHE A 265      18.538 101.345  92.862  1.00 19.73           C
+ATOM   2174  C   PHE A 265      19.768 101.011  93.692  1.00 17.24           C
+ATOM   2175  O   PHE A 265      19.755 101.158  94.910  1.00 18.76           O
+ATOM   2176  CB  PHE A 265      17.711 100.077  92.566  1.00 17.08           C
+ATOM   2177  CG  PHE A 265      16.923  99.570  93.755  1.00 19.38           C
+ATOM   2178  CD1 PHE A 265      15.996 100.387  94.395  1.00 20.37           C
+ATOM   2179  CD2 PHE A 265      17.101  98.277  94.227  1.00 18.43           C
+ATOM   2180  CE1 PHE A 265      15.259  99.929  95.479  1.00 20.75           C
+ATOM   2181  CE2 PHE A 265      16.362  97.804  95.307  1.00 19.39           C
+ATOM   2182  CZ  PHE A 265      15.438  98.633  95.935  1.00 20.86           C
+ATOM   2183  N   LEU A 266      20.831 100.565  93.025  1.00 17.81           N
+ATOM   2184  CA  LEU A 266      22.092 100.292  93.699  1.00 18.21           C
+ATOM   2185  C   LEU A 266      22.606 101.548  94.413  1.00 17.99           C
+ATOM   2186  O   LEU A 266      23.087 101.476  95.538  1.00 16.90           O
+ATOM   2187  CB  LEU A 266      23.133  99.784  92.699  1.00 18.57           C
+ATOM   2188  CG  LEU A 266      24.527  99.545  93.263  1.00 19.24           C
+ATOM   2189  CD1 LEU A 266      24.473  98.553  94.421  1.00 21.26           C
+ATOM   2190  CD2 LEU A 266      25.452  99.033  92.145  1.00 23.73           C
+ATOM   2191  N   GLU A 267      22.498 102.705  93.770  1.00 17.98           N
+ATOM   2192  CA  GLU A 267      22.957 103.932  94.433  1.00 21.34           C
+ATOM   2193  C   GLU A 267      22.134 104.232  95.693  1.00 18.92           C
+ATOM   2194  O   GLU A 267      22.666 104.692  96.708  1.00 18.75           O
+ATOM   2195  CB  GLU A 267      22.956 105.121  93.467  1.00 23.81           C
+ATOM   2196  CG  GLU A 267      24.024 105.000  92.376  1.00 28.21           C
+ATOM   2197  CD  GLU A 267      25.442 104.974  92.942  1.00 30.62           C
+ATOM   2198  OE1 GLU A 267      25.831 105.951  93.619  1.00 37.23           O
+ATOM   2199  OE2 GLU A 267      26.162 103.974  92.728  1.00 34.52           O
+ATOM   2200  N   ILE A 268      20.842 103.938  95.632  1.00 19.65           N
+ATOM   2201  CA  ILE A 268      19.974 104.095  96.788  1.00 18.91           C
+ATOM   2202  C   ILE A 268      20.370 103.136  97.902  1.00 23.02           C
+ATOM   2203  O   ILE A 268      20.488 103.545  99.059  1.00 18.90           O
+ATOM   2204  CB  ILE A 268      18.479 103.911  96.415  1.00 21.10           C
+ATOM   2205  CG1 ILE A 268      18.048 105.002  95.433  1.00 24.16           C
+ATOM   2206  CG2 ILE A 268      17.585 103.991  97.680  1.00 16.56           C
+ATOM   2207  CD1 ILE A 268      16.735 104.696  94.716  1.00 24.26           C
+ATOM   2208  N   LEU A 269      20.578 101.862  97.557  1.00 17.50           N
+ATOM   2209  CA  LEU A 269      21.032 100.870  98.542  1.00 16.10           C
+ATOM   2210  C   LEU A 269      22.337 101.311  99.200  1.00 15.39           C
+ATOM   2211  O   LEU A 269      22.521 101.133 100.398  1.00 15.63           O
+ATOM   2212  CB  LEU A 269      21.246  99.501  97.888  1.00 18.95           C
+ATOM   2213  CG  LEU A 269      20.018  98.848  97.258  1.00 20.50           C
+ATOM   2214  CD1 LEU A 269      20.449  97.600  96.462  1.00 19.12           C
+ATOM   2215  CD2 LEU A 269      18.990  98.494  98.348  1.00 20.14           C
+ATOM   2216  N   LYS A 270      23.253 101.865  98.418  1.00 16.36           N
+ATOM   2217  CA  LYS A 270      24.513 102.363  98.996  1.00 17.50           C
+ATOM   2218  C   LYS A 270      24.278 103.494  99.998  1.00 20.65           C
+ATOM   2219  O   LYS A 270      24.935 103.554 101.036  1.00 18.51           O
+ATOM   2220  CB  LYS A 270      25.483 102.811  97.898  1.00 17.28           C
+ATOM   2221  CG  LYS A 270      26.042 101.620  97.074  1.00 19.65           C
+ATOM   2222  CD  LYS A 270      26.591 102.075  95.719  1.00 26.46           C
+ATOM   2223  CE  LYS A 270      27.698 103.072  95.897  1.00 28.51           C
+ATOM   2224  NZ  LYS A 270      28.260 103.590  94.612  1.00 33.36           N
+ATOM   2225  N   SER A 271      23.354 104.393  99.680  1.00 21.76           N
+ATOM   2226  CA  SER A 271      22.949 105.438 100.635  1.00 21.89           C
+ATOM   2227  C   SER A 271      22.362 104.844 101.924  1.00 19.96           C
+ATOM   2228  O   SER A 271      22.676 105.290 103.028  1.00 22.82           O
+ATOM   2229  CB  SER A 271      21.919 106.370  99.997  1.00 26.62           C
+ATOM   2230  OG  SER A 271      22.475 107.055  98.891  1.00 34.70           O
+ATOM   2231  N   VAL A 272      21.482 103.854 101.786  1.00 20.16           N
+ATOM   2232  CA  VAL A 272      20.896 103.194 102.954  1.00 18.42           C
+ATOM   2233  C   VAL A 272      22.000 102.589 103.798  1.00 21.42           C
+ATOM   2234  O   VAL A 272      22.003 102.726 105.031  1.00 21.87           O
+ATOM   2235  CB  VAL A 272      19.907 102.076 102.564  1.00 24.03           C
+ATOM   2236  CG1 VAL A 272      19.515 101.250 103.799  1.00 24.50           C
+ATOM   2237  CG2 VAL A 272      18.658 102.668 101.884  1.00 23.42           C
+ATOM   2238  N   ALA A 273      22.947 101.930 103.127  1.00 17.81           N
+ATOM   2239  CA  ALA A 273      24.068 101.296 103.819  1.00 18.93           C
+ATOM   2240  C   ALA A 273      24.870 102.335 104.580  1.00 19.13           C
+ATOM   2241  O   ALA A 273      25.178 102.168 105.763  1.00 22.21           O
+ATOM   2242  CB  ALA A 273      24.974 100.544 102.801  1.00 21.05           C
+ATOM   2243  N   GLN A 274      25.213 103.410 103.885  1.00 18.62           N
+ATOM   2244  CA  GLN A 274      26.061 104.445 104.470  1.00 22.30           C
+ATOM   2245  C   GLN A 274      25.398 105.069 105.693  1.00 27.86           C
+ATOM   2246  O   GLN A 274      26.059 105.359 106.696  1.00 25.52           O
+ATOM   2247  CB  GLN A 274      26.414 105.504 103.428  1.00 20.39           C
+ATOM   2248  CG  GLN A 274      27.669 105.139 102.626  1.00 48.58           C
+ATOM   2249  CD  GLN A 274      27.588 105.491 101.146  1.00 47.98           C
+ATOM   2250  OE1 GLN A 274      27.046 106.536 100.762  1.00 47.20           O
+ATOM   2251  NE2 GLN A 274      28.135 104.612 100.302  1.00 29.66           N
+ATOM   2252  N   ASP A 275      24.080 105.217 105.637  1.00 23.23           N
+ATOM   2253  CA  ASP A 275      23.363 105.870 106.727  1.00 22.26           C
+ATOM   2254  C   ASP A 275      23.170 104.939 107.920  1.00 30.92           C
+ATOM   2255  O   ASP A 275      22.789 105.373 109.001  1.00 25.86           O
+ATOM   2256  CB  ASP A 275      22.013 106.394 106.237  1.00 27.19           C
+ATOM   2257  CG  ASP A 275      21.424 107.432 107.182  1.00 35.30           C
+ATOM   2258  OD1 ASP A 275      22.209 108.210 107.779  1.00 30.02           O
+ATOM   2259  OD2 ASP A 275      20.187 107.444 107.353  1.00 44.26           O
+ATOM   2260  N   ASN A 276      23.416 103.649 107.718  1.00 20.08           N
+ATOM   2261  CA  ASN A 276      23.234 102.678 108.791  1.00 25.70           C
+ATOM   2262  C   ASN A 276      24.480 101.861 109.073  1.00 26.92           C
+ATOM   2263  O   ASN A 276      24.403 100.763 109.614  1.00 26.85           O
+ATOM   2264  CB  ASN A 276      22.089 101.725 108.450  1.00 25.11           C
+ATOM   2265  CG  ASN A 276      20.748 102.415 108.438  1.00 30.18           C
+ATOM   2266  OD1 ASN A 276      20.139 102.624 109.486  1.00 31.14           O
+ATOM   2267  ND2 ASN A 276      20.281 102.783 107.249  1.00 25.72           N
+ATOM   2268  N   THR A 277      25.636 102.395 108.710  1.00 27.35           N
+ATOM   2269  CA  THR A 277      26.825 101.565 108.682  1.00 29.57           C
+ATOM   2270  C   THR A 277      27.228 101.050 110.061  1.00 36.34           C
+ATOM   2271  O   THR A 277      27.803  99.967 110.168  1.00 29.56           O
+ATOM   2272  CB  THR A 277      28.003 102.261 107.980  1.00 34.20           C
+ATOM   2273  OG1 THR A 277      29.043 101.299 107.751  1.00 33.29           O
+ATOM   2274  CG2 THR A 277      28.518 103.448 108.813  1.00 28.81           C
+ATOM   2275  N   ASP A 278      26.895 101.794 111.116  1.00 29.50           N
+ATOM   2276  CA  ASP A 278      27.295 101.379 112.462  1.00 39.70           C
+ATOM   2277  C   ASP A 278      26.293 100.443 113.132  1.00 41.42           C
+ATOM   2278  O   ASP A 278      26.521  99.956 114.247  1.00 36.05           O
+ATOM   2279  CB  ASP A 278      27.594 102.601 113.334  0.61 41.44           C
+ATOM   2280  CG  ASP A 278      28.848 103.334 112.883  0.76 38.30           C
+ATOM   2281  OD1 ASP A 278      29.840 102.653 112.545  1.00 49.75           O
+ATOM   2282  OD2 ASP A 278      28.830 104.581 112.846  0.81 48.87           O
+ATOM   2283  N   ASN A 279      25.193 100.174 112.440  1.00 30.79           N
+ATOM   2284  CA  ASN A 279      24.184  99.254 112.946  1.00 32.68           C
+ATOM   2285  C   ASN A 279      24.571  97.802 112.672  1.00 37.53           C
+ATOM   2286  O   ASN A 279      24.425  97.322 111.550  1.00 39.15           O
+ATOM   2287  CB  ASN A 279      22.829  99.567 112.293  1.00 29.39           C
+ATOM   2288  CG  ASN A 279      21.713  98.683 112.816  1.00 43.16           C
+ATOM   2289  OD1 ASN A 279      21.961  97.650 113.444  1.00 39.86           O
+ATOM   2290  ND2 ASN A 279      20.472  99.079 112.546  1.00 43.80           N
+ATOM   2291  N   PRO A 280      25.034  97.081 113.701  1.00 34.77           N
+ATOM   2292  CA  PRO A 280      25.574  95.740 113.464  1.00 38.37           C
+ATOM   2293  C   PRO A 280      24.480  94.728 113.116  1.00 39.09           C
+ATOM   2294  O   PRO A 280      24.781  93.609 112.691  1.00 41.04           O
+ATOM   2295  CB  PRO A 280      26.189  95.386 114.815  1.00 47.00           C
+ATOM   2296  CG  PRO A 280      25.296  96.076 115.796  1.00 42.37           C
+ATOM   2297  CD  PRO A 280      24.895  97.373 115.138  1.00 39.53           C
+ATOM   2298  N   ASP A 281      23.224  95.114 113.300  1.00 38.26           N
+ATOM   2299  CA  ASP A 281      22.111  94.204 113.037  1.00 38.30           C
+ATOM   2300  C   ASP A 281      21.654  94.263 111.581  1.00 42.74           C
+ATOM   2301  O   ASP A 281      20.798  93.486 111.163  1.00 35.86           O
+ATOM   2302  CB  ASP A 281      20.932  94.503 113.967  1.00 46.52           C
+ATOM   2303  CG  ASP A 281      21.234  94.185 115.429  1.00 48.87           C
+ATOM   2304  OD1 ASP A 281      22.097  93.317 115.702  1.00 49.31           O
+ATOM   2305  OD2 ASP A 281      20.592  94.806 116.306  1.00 47.86           O
+ATOM   2306  N   LEU A 282      22.227  95.180 110.809  1.00 36.00           N
+ATOM   2307  CA  LEU A 282      21.846  95.339 109.412  1.00 25.39           C
+ATOM   2308  C   LEU A 282      22.884  94.803 108.433  1.00 28.23           C
+ATOM   2309  O   LEU A 282      24.028  95.260 108.409  1.00 29.20           O
+ATOM   2310  CB  LEU A 282      21.577  96.808 109.096  1.00 26.58           C
+ATOM   2311  CG  LEU A 282      21.195  97.069 107.642  1.00 25.50           C
+ATOM   2312  CD1 LEU A 282      19.853  96.389 107.300  1.00 28.26           C
+ATOM   2313  CD2 LEU A 282      21.117  98.561 107.377  1.00 27.73           C
+ATOM   2314  N   SER A 283      22.486  93.836 107.618  1.00 27.59           N
+ATOM   2315  CA  SER A 283      23.269  93.500 106.435  1.00 23.73           C
+ATOM   2316  C   SER A 283      22.313  93.206 105.274  1.00 21.40           C
+ATOM   2317  O   SER A 283      21.322  92.490 105.427  1.00 29.65           O
+ATOM   2318  CB  SER A 283      24.231  92.322 106.680  1.00 30.45           C
+ATOM   2319  OG  SER A 283      25.138  92.153 105.569  1.00 27.30           O
+ATOM   2320  N   ILE A 284      22.585  93.817 104.137  1.00 13.80           N
+ATOM   2321  CA  ILE A 284      21.762  93.640 102.981  1.00 15.54           C
+ATOM   2322  C   ILE A 284      22.621  92.912 101.972  1.00 19.23           C
+ATOM   2323  O   ILE A 284      23.777  93.273 101.767  1.00 16.69           O
+ATOM   2324  CB  ILE A 284      21.359  94.989 102.404  1.00 19.32           C
+ATOM   2325  CG1 ILE A 284      20.508  95.766 103.423  1.00 22.57           C
+ATOM   2326  CG2 ILE A 284      20.611  94.804 101.076  1.00 16.78           C
+ATOM   2327  CD1 ILE A 284      20.281  97.211 103.004  1.00 23.66           C
+ATOM   2328  N   ILE A 285      22.063  91.883 101.355  1.00 15.66           N
+ATOM   2329  CA  ILE A 285      22.761  91.188 100.281  1.00 12.36           C
+ATOM   2330  C   ILE A 285      22.284  91.722  98.943  1.00 16.48           C
+ATOM   2331  O   ILE A 285      21.090  91.653  98.634  1.00 15.97           O
+ATOM   2332  CB  ILE A 285      22.519  89.684 100.319  1.00 16.56           C
+ATOM   2333  CG1 ILE A 285      23.128  89.079 101.596  1.00 20.75           C
+ATOM   2334  CG2 ILE A 285      23.117  89.030  99.054  1.00 17.18           C
+ATOM   2335  CD1 ILE A 285      22.837  87.580 101.749  1.00 21.99           C
+ATOM   2336  N   TRP A 286      23.211  92.267  98.161  1.00 13.77           N
+ATOM   2337  CA  TRP A 286      22.888  92.699  96.821  1.00 14.68           C
+ATOM   2338  C   TRP A 286      23.149  91.560  95.864  1.00 16.12           C
+ATOM   2339  O   TRP A 286      24.261  91.059  95.799  1.00 13.47           O
+ATOM   2340  CB  TRP A 286      23.762  93.879  96.408  1.00 14.49           C
+ATOM   2341  CG  TRP A 286      23.713  94.146  94.924  1.00 16.24           C
+ATOM   2342  CD1 TRP A 286      22.644  93.920  94.064  1.00 16.16           C
+ATOM   2343  CD2 TRP A 286      24.772  94.657  94.117  1.00 16.30           C
+ATOM   2344  NE1 TRP A 286      22.995  94.274  92.790  1.00 15.65           N
+ATOM   2345  CE2 TRP A 286      24.296  94.726  92.794  1.00 17.67           C
+ATOM   2346  CE3 TRP A 286      26.092  95.056  94.384  1.00 15.50           C
+ATOM   2347  CZ2 TRP A 286      25.087  95.185  91.742  1.00 16.26           C
+ATOM   2348  CZ3 TRP A 286      26.875  95.529  93.338  1.00 16.68           C
+ATOM   2349  CH2 TRP A 286      26.365  95.589  92.031  1.00 17.04           C
+ATOM   2350  N   ILE A 287      22.127  91.152  95.120  1.00 13.81           N
+ATOM   2351  CA  ILE A 287      22.319  90.176  94.063  1.00 14.83           C
+ATOM   2352  C   ILE A 287      22.097  90.826  92.720  1.00 19.27           C
+ATOM   2353  O   ILE A 287      21.030  91.413  92.481  1.00 15.53           O
+ATOM   2354  CB  ILE A 287      21.323  89.000  94.184  1.00 12.55           C
+ATOM   2355  CG1 ILE A 287      21.533  88.299  95.529  1.00 15.77           C
+ATOM   2356  CG2 ILE A 287      21.495  88.023  92.989  1.00 16.16           C
+ATOM   2357  CD1 ILE A 287      20.512  87.182  95.806  1.00 20.08           C
+ATOM   2358  N   ASP A 288      23.091  90.738  91.835  1.00 16.35           N
+ATOM   2359  CA  ASP A 288      22.871  91.164  90.454  1.00 13.14           C
+ATOM   2360  C   ASP A 288      22.458  89.935  89.663  1.00 16.29           C
+ATOM   2361  O   ASP A 288      23.233  88.999  89.521  1.00 19.99           O
+ATOM   2362  CB  ASP A 288      24.134  91.788  89.849  1.00 16.34           C
+ATOM   2363  CG  ASP A 288      23.880  92.426  88.486  1.00 19.38           C
+ATOM   2364  OD1 ASP A 288      23.026  91.913  87.730  1.00 18.11           O
+ATOM   2365  OD2 ASP A 288      24.540  93.441  88.163  1.00 18.04           O
+ATOM   2366  N   PRO A 289      21.215  89.916  89.163  1.00 16.55           N
+ATOM   2367  CA  PRO A 289      20.738  88.710  88.462  1.00 15.27           C
+ATOM   2368  C   PRO A 289      21.618  88.302  87.278  1.00 17.85           C
+ATOM   2369  O   PRO A 289      21.654  87.132  86.910  1.00 17.90           O
+ATOM   2370  CB  PRO A 289      19.353  89.123  87.926  1.00 22.11           C
+ATOM   2371  CG  PRO A 289      18.977  90.366  88.629  1.00 26.18           C
+ATOM   2372  CD  PRO A 289      20.258  91.034  89.096  1.00 15.61           C
+ATOM   2373  N   ASP A 290      22.278  89.266  86.658  1.00 19.88           N
+ATOM   2374  CA AASP A 290      23.123  88.952  85.514  0.49 21.72           C
+ATOM   2375  CA BASP A 290      23.171  89.018  85.530  0.51 21.76           C
+ATOM   2376  C   ASP A 290      24.273  88.023  85.907  1.00 21.58           C
+ATOM   2377  O   ASP A 290      24.808  87.306  85.065  1.00 19.52           O
+ATOM   2378  CB AASP A 290      23.659  90.226  84.851  0.49 21.34           C
+ATOM   2379  CB BASP A 290      23.817  90.338  85.070  0.51 20.78           C
+ATOM   2380  CG AASP A 290      24.338  89.944  83.512  0.49 25.57           C
+ATOM   2381  CG BASP A 290      22.894  91.183  84.198  0.51 25.81           C
+ATOM   2382  OD1AASP A 290      25.562  90.149  83.402  0.49 26.64           O
+ATOM   2383  OD1BASP A 290      21.857  90.654  83.737  0.51 32.90           O
+ATOM   2384  OD2AASP A 290      23.644  89.492  82.577  0.49 27.45           O
+ATOM   2385  OD2BASP A 290      23.223  92.373  83.953  0.51 26.75           O
+ATOM   2386  N   ASP A 291      24.633  88.009  87.185  1.00 17.98           N
+ATOM   2387  CA  ASP A 291      25.722  87.155  87.669  1.00 20.76           C
+ATOM   2388  C   ASP A 291      25.322  85.691  87.843  1.00 20.30           C
+ATOM   2389  O   ASP A 291      26.200  84.817  87.999  1.00 16.55           O
+ATOM   2390  CB  ASP A 291      26.281  87.667  89.011  1.00 17.35           C
+ATOM   2391  CG  ASP A 291      27.050  88.979  88.875  1.00 25.85           C
+ATOM   2392  OD1 ASP A 291      27.508  89.298  87.766  1.00 22.28           O
+ATOM   2393  OD2 ASP A 291      27.183  89.700  89.884  1.00 20.94           O
+ATOM   2394  N   PHE A 292      24.011  85.432  87.864  1.00 19.08           N
+ATOM   2395  CA  PHE A 292      23.504  84.098  88.190  1.00 16.42           C
+ATOM   2396  C   PHE A 292      22.386  83.674  87.241  1.00 20.17           C
+ATOM   2397  O   PHE A 292      21.260  83.440  87.678  1.00 16.31           O
+ATOM   2398  CB  PHE A 292      22.983  84.059  89.634  1.00 17.13           C
+ATOM   2399  CG  PHE A 292      24.039  84.319  90.676  1.00 17.42           C
+ATOM   2400  CD1 PHE A 292      24.785  83.270  91.194  1.00 15.26           C
+ATOM   2401  CD2 PHE A 292      24.265  85.611  91.159  1.00 17.64           C
+ATOM   2402  CE1 PHE A 292      25.759  83.500  92.178  1.00 22.13           C
+ATOM   2403  CE2 PHE A 292      25.229  85.845  92.137  1.00 19.59           C
+ATOM   2404  CZ  PHE A 292      25.979  84.776  92.640  1.00 18.04           C
+ATOM   2405  N   PRO A 293      22.699  83.562  85.936  1.00 20.46           N
+ATOM   2406  CA  PRO A 293      21.673  83.285  84.929  1.00 22.01           C
+ATOM   2407  C   PRO A 293      20.906  82.001  85.193  1.00 23.34           C
+ATOM   2408  O   PRO A 293      19.723  81.958  84.862  1.00 21.76           O
+ATOM   2409  CB  PRO A 293      22.470  83.170  83.619  1.00 23.20           C
+ATOM   2410  CG  PRO A 293      23.891  82.893  84.039  1.00 24.22           C
+ATOM   2411  CD  PRO A 293      24.054  83.609  85.356  1.00 21.97           C
+ATOM   2412  N   LEU A 294      21.554  81.001  85.782  1.00 19.53           N
+ATOM   2413  CA  LEU A 294      20.929  79.701  86.038  1.00 19.89           C
+ATOM   2414  C   LEU A 294      19.953  79.690  87.218  1.00 22.09           C
+ATOM   2415  O   LEU A 294      19.169  78.752  87.362  1.00 24.07           O
+ATOM   2416  CB  LEU A 294      21.985  78.607  86.210  1.00 19.88           C
+ATOM   2417  CG  LEU A 294      22.908  78.419  84.997  1.00 22.19           C
+ATOM   2418  CD1 LEU A 294      23.878  77.275  85.253  1.00 24.47           C
+ATOM   2419  CD2 LEU A 294      22.079  78.153  83.746  1.00 18.43           C
+ATOM   2420  N   LEU A 295      19.973  80.745  88.030  1.00 16.27           N
+ATOM   2421  CA  LEU A 295      19.078  80.848  89.185  1.00 16.02           C
+ATOM   2422  C   LEU A 295      17.908  81.807  88.967  1.00 18.04           C
+ATOM   2423  O   LEU A 295      16.977  81.870  89.768  1.00 17.41           O
+ATOM   2424  CB  LEU A 295      19.865  81.287  90.441  1.00 15.90           C
+ATOM   2425  CG  LEU A 295      20.770  80.205  91.041  1.00 20.33           C
+ATOM   2426  CD1 LEU A 295      21.674  80.735  92.170  1.00 18.35           C
+ATOM   2427  CD2 LEU A 295      19.928  79.058  91.550  1.00 18.44           C
+ATOM   2428  N   VAL A 296      17.945  82.582  87.899  1.00 15.64           N
+ATOM   2429  CA  VAL A 296      16.883  83.568  87.707  1.00 15.90           C
+ATOM   2430  C   VAL A 296      15.488  82.928  87.605  1.00 19.17           C
+ATOM   2431  O   VAL A 296      14.554  83.397  88.240  1.00 18.09           O
+ATOM   2432  CB  VAL A 296      17.183  84.529  86.524  1.00 18.16           C
+ATOM   2433  CG1 VAL A 296      15.959  85.368  86.183  1.00 17.51           C
+ATOM   2434  CG2 VAL A 296      18.361  85.442  86.877  1.00 17.76           C
+ATOM   2435  N   PRO A 297      15.332  81.845  86.823  1.00 21.99           N
+ATOM   2436  CA  PRO A 297      13.978  81.254  86.795  1.00 21.23           C
+ATOM   2437  C   PRO A 297      13.526  80.802  88.183  1.00 17.84           C
+ATOM   2438  O   PRO A 297      12.399  81.047  88.592  1.00 19.55           O
+ATOM   2439  CB  PRO A 297      14.144  80.050  85.848  1.00 20.42           C
+ATOM   2440  CG  PRO A 297      15.207  80.528  84.876  1.00 21.62           C
+ATOM   2441  CD  PRO A 297      16.210  81.265  85.792  1.00 18.80           C
+ATOM   2442  N   TYR A 298      14.412  80.141  88.913  1.00 16.69           N
+ATOM   2443  CA  TYR A 298      14.100  79.728  90.265  1.00 17.11           C
+ATOM   2444  C   TYR A 298      13.690  80.912  91.168  1.00 22.04           C
+ATOM   2445  O   TYR A 298      12.697  80.834  91.907  1.00 19.65           O
+ATOM   2446  CB  TYR A 298      15.295  78.996  90.857  1.00 20.74           C
+ATOM   2447  CG  TYR A 298      15.196  78.794  92.346  1.00 25.04           C
+ATOM   2448  CD1 TYR A 298      14.479  77.726  92.881  1.00 27.19           C
+ATOM   2449  CD2 TYR A 298      15.829  79.672  93.225  1.00 24.61           C
+ATOM   2450  CE1 TYR A 298      14.392  77.544  94.246  1.00 27.70           C
+ATOM   2451  CE2 TYR A 298      15.750  79.493  94.578  1.00 25.24           C
+ATOM   2452  CZ  TYR A 298      15.033  78.433  95.086  1.00 29.82           C
+ATOM   2453  OH  TYR A 298      14.969  78.270  96.447  1.00 39.70           O
+ATOM   2454  N   TRP A 299      14.447  82.007  91.113  1.00 21.40           N
+ATOM   2455  CA  TRP A 299      14.139  83.175  91.948  1.00 16.88           C
+ATOM   2456  C   TRP A 299      12.789  83.783  91.580  1.00 21.14           C
+ATOM   2457  O   TRP A 299      11.956  84.099  92.447  1.00 19.43           O
+ATOM   2458  CB  TRP A 299      15.239  84.229  91.811  1.00 16.51           C
+ATOM   2459  CG  TRP A 299      16.494  83.875  92.571  1.00 19.69           C
+ATOM   2460  CD1 TRP A 299      16.588  83.141  93.731  1.00 16.70           C
+ATOM   2461  CD2 TRP A 299      17.827  84.232  92.209  1.00 15.78           C
+ATOM   2462  NE1 TRP A 299      17.917  83.033  94.109  1.00 20.88           N
+ATOM   2463  CE2 TRP A 299      18.690  83.699  93.190  1.00 22.75           C
+ATOM   2464  CE3 TRP A 299      18.375  84.955  91.148  1.00 17.32           C
+ATOM   2465  CZ2 TRP A 299      20.084  83.872  93.133  1.00 15.94           C
+ATOM   2466  CZ3 TRP A 299      19.749  85.119  91.093  1.00 17.62           C
+ATOM   2467  CH2 TRP A 299      20.582  84.590  92.081  1.00 13.04           C
+ATOM   2468  N   GLU A 300      12.571  83.940  90.286  1.00 19.18           N
+ATOM   2469  CA  GLU A 300      11.319  84.528  89.832  1.00 19.77           C
+ATOM   2470  C   GLU A 300      10.120  83.662  90.258  1.00 20.72           C
+ATOM   2471  O   GLU A 300       9.111  84.186  90.726  1.00 21.72           O
+ATOM   2472  CB  GLU A 300      11.368  84.800  88.324  1.00 19.13           C
+ATOM   2473  CG  GLU A 300      12.231  86.014  87.990  1.00 20.09           C
+ATOM   2474  CD  GLU A 300      12.224  86.386  86.523  1.00 22.83           C
+ATOM   2475  OE1 GLU A 300      11.951  85.504  85.680  1.00 27.78           O
+ATOM   2476  OE2 GLU A 300      12.514  87.556  86.206  1.00 24.51           O
+ATOM   2477  N   LYS A 301      10.252  82.347  90.140  1.00 21.86           N
+ATOM   2478  CA  LYS A 301       9.188  81.435  90.559  1.00 27.21           C
+ATOM   2479  C   LYS A 301       9.009  81.416  92.073  1.00 24.04           C
+ATOM   2480  O   LYS A 301       7.899  81.534  92.580  1.00 24.91           O
+ATOM   2481  CB  LYS A 301       9.471  80.016  90.059  1.00 28.88           C
+ATOM   2482  CG  LYS A 301       8.458  78.965  90.521  1.00 35.83           C
+ATOM   2483  CD  LYS A 301       8.807  77.586  89.964  1.00 40.78           C
+ATOM   2484  CE  LYS A 301       7.874  76.495  90.492  1.00 42.50           C
+ATOM   2485  NZ  LYS A 301       8.284  75.143  90.011  1.00 44.05           N
+ATOM   2486  N   THR A 302      10.112  81.288  92.797  1.00 21.06           N
+ATOM   2487  CA  THR A 302      10.077  81.133  94.243  1.00 22.37           C
+ATOM   2488  C   THR A 302       9.614  82.394  94.979  1.00 27.92           C
+ATOM   2489  O   THR A 302       8.831  82.324  95.931  1.00 24.12           O
+ATOM   2490  CB  THR A 302      11.474  80.725  94.768  1.00 24.71           C
+ATOM   2491  OG1 THR A 302      11.888  79.524  94.113  1.00 27.25           O
+ATOM   2492  CG2 THR A 302      11.449  80.487  96.263  1.00 26.01           C
+ATOM   2493  N   PHE A 303      10.100  83.545  94.530  1.00 21.62           N
+ATOM   2494  CA  PHE A 303       9.800  84.818  95.178  1.00 22.90           C
+ATOM   2495  C   PHE A 303       8.624  85.533  94.510  1.00 22.64           C
+ATOM   2496  O   PHE A 303       8.143  86.538  95.016  1.00 23.29           O
+ATOM   2497  CB  PHE A 303      11.041  85.734  95.149  1.00 21.18           C
+ATOM   2498  CG  PHE A 303      12.225  85.181  95.895  1.00 18.93           C
+ATOM   2499  CD1 PHE A 303      12.050  84.425  97.046  1.00 24.11           C
+ATOM   2500  CD2 PHE A 303      13.517  85.403  95.439  1.00 19.98           C
+ATOM   2501  CE1 PHE A 303      13.149  83.909  97.734  1.00 26.48           C
+ATOM   2502  CE2 PHE A 303      14.614  84.894  96.118  1.00 20.32           C
+ATOM   2503  CZ  PHE A 303      14.435  84.143  97.265  1.00 21.39           C
+ATOM   2504  N   ASP A 304       8.198  85.030  93.354  1.00 23.99           N
+ATOM   2505  CA  ASP A 304       7.111  85.651  92.600  1.00 22.96           C
+ATOM   2506  C   ASP A 304       7.424  87.118  92.278  1.00 29.26           C
+ATOM   2507  O   ASP A 304       6.637  88.016  92.569  1.00 27.88           O
+ATOM   2508  CB  ASP A 304       5.790  85.528  93.383  1.00 27.94           C
+ATOM   2509  CG  ASP A 304       4.568  85.847  92.538  1.00 38.67           C
+ATOM   2510  OD1 ASP A 304       3.535  86.251  93.121  1.00 43.06           O
+ATOM   2511  OD2 ASP A 304       4.633  85.701  91.297  1.00 36.36           O
+ATOM   2512  N   ILE A 305       8.577  87.358  91.666  1.00 19.43           N
+ATOM   2513  CA  ILE A 305       8.968  88.708  91.296  1.00 18.75           C
+ATOM   2514  C   ILE A 305       9.519  88.723  89.879  1.00 19.99           C
+ATOM   2515  O   ILE A 305       9.874  87.684  89.339  1.00 23.09           O
+ATOM   2516  CB  ILE A 305      10.035  89.278  92.288  1.00 21.58           C
+ATOM   2517  CG1 ILE A 305      11.225  88.325  92.407  1.00 22.57           C
+ATOM   2518  CG2 ILE A 305       9.409  89.507  93.658  1.00 23.54           C
+ATOM   2519  CD1 ILE A 305      12.285  88.787  93.449  1.00 20.18           C
+ATOM   2520  N   ASP A 306       9.562  89.903  89.274  1.00 21.26           N
+ATOM   2521  CA  ASP A 306      10.112  90.068  87.938  1.00 23.19           C
+ATOM   2522  C   ASP A 306      11.514  90.638  88.083  1.00 21.34           C
+ATOM   2523  O   ASP A 306      11.665  91.787  88.459  1.00 19.83           O
+ATOM   2524  CB  ASP A 306       9.237  91.040  87.158  1.00 28.14           C
+ATOM   2525  CG  ASP A 306       9.736  91.291  85.754  1.00 35.76           C
+ATOM   2526  OD1 ASP A 306      10.882  90.893  85.418  1.00 23.85           O
+ATOM   2527  OD2 ASP A 306       8.963  91.911  84.986  1.00 36.99           O
+ATOM   2528  N   LEU A 307      12.533  89.834  87.790  1.00 20.27           N
+ATOM   2529  CA  LEU A 307      13.912  90.263  88.004  1.00 20.91           C
+ATOM   2530  C   LEU A 307      14.422  91.190  86.908  1.00 22.36           C
+ATOM   2531  O   LEU A 307      15.575  91.596  86.918  1.00 24.25           O
+ATOM   2532  CB  LEU A 307      14.865  89.068  88.209  1.00 19.43           C
+ATOM   2533  CG  LEU A 307      14.693  88.344  89.551  1.00 19.02           C
+ATOM   2534  CD1 LEU A 307      15.851  87.382  89.848  1.00 21.89           C
+ATOM   2535  CD2 LEU A 307      14.558  89.342  90.667  1.00 21.65           C
+ATOM   2536  N   SER A 308      13.571  91.555  85.965  1.00 21.69           N
+ATOM   2537  CA  SER A 308      13.971  92.635  85.080  1.00 27.65           C
+ATOM   2538  C   SER A 308      13.746  94.001  85.754  1.00 23.77           C
+ATOM   2539  O   SER A 308      14.090  95.042  85.186  1.00 25.48           O
+ATOM   2540  CB  SER A 308      13.252  92.538  83.732  1.00 34.49           C
+ATOM   2541  OG  SER A 308      11.902  92.914  83.879  1.00 33.57           O
+ATOM   2542  N   ALA A 309      13.186  94.000  86.968  1.00 18.02           N
+ATOM   2543  CA  ALA A 309      13.050  95.236  87.752  1.00 18.85           C
+ATOM   2544  C   ALA A 309      13.812  95.088  89.062  1.00 18.16           C
+ATOM   2545  O   ALA A 309      13.929  93.993  89.559  1.00 19.06           O
+ATOM   2546  CB  ALA A 309      11.580  95.518  88.069  1.00 19.19           C
+ATOM   2547  N   PRO A 310      14.290  96.205  89.635  1.00 19.12           N
+ATOM   2548  CA  PRO A 310      14.915  96.160  90.965  1.00 22.44           C
+ATOM   2549  C   PRO A 310      13.912  95.620  91.979  1.00 20.34           C
+ATOM   2550  O   PRO A 310      12.703  95.826  91.803  1.00 19.26           O
+ATOM   2551  CB  PRO A 310      15.202  97.639  91.266  1.00 23.47           C
+ATOM   2552  CG  PRO A 310      15.261  98.299  89.911  1.00 24.62           C
+ATOM   2553  CD  PRO A 310      14.216  97.576  89.106  1.00 23.39           C
+ATOM   2554  N   GLN A 311      14.387  94.940  93.014  1.00 16.04           N
+ATOM   2555  CA  GLN A 311      13.495  94.405  94.030  1.00 16.48           C
+ATOM   2556  C   GLN A 311      14.205  94.495  95.367  1.00 21.99           C
+ATOM   2557  O   GLN A 311      15.430  94.466  95.417  1.00 18.55           O
+ATOM   2558  CB  GLN A 311      13.175  92.929  93.744  1.00 19.81           C
+ATOM   2559  CG  GLN A 311      12.676  92.632  92.338  1.00 16.51           C
+ATOM   2560  CD  GLN A 311      11.224  93.018  92.151  1.00 22.73           C
+ATOM   2561  OE1 GLN A 311      10.528  93.332  93.119  1.00 23.10           O
+ATOM   2562  NE2 GLN A 311      10.759  93.002  90.902  1.00 18.51           N
+ATOM   2563  N   ILE A 312      13.454  94.598  96.460  1.00 17.04           N
+ATOM   2564  CA  ILE A 312      14.070  94.428  97.767  1.00 12.78           C
+ATOM   2565  C   ILE A 312      13.086  93.692  98.647  1.00 20.08           C
+ATOM   2566  O   ILE A 312      11.866  93.917  98.572  1.00 17.47           O
+ATOM   2567  CB  ILE A 312      14.519  95.762  98.402  1.00 12.72           C
+ATOM   2568  CG1 ILE A 312      15.325  95.480  99.674  1.00 18.68           C
+ATOM   2569  CG2 ILE A 312      13.302  96.666  98.693  1.00 17.90           C
+ATOM   2570  CD1 ILE A 312      15.988  96.680 100.279  1.00 18.57           C
+ATOM   2571  N   GLY A 313      13.598  92.773  99.448  1.00 16.26           N
+ATOM   2572  CA  GLY A 313      12.716  91.926 100.216  1.00 18.12           C
+ATOM   2573  C   GLY A 313      13.410  91.345 101.416  1.00 17.98           C
+ATOM   2574  O   GLY A 313      14.591  91.601 101.656  1.00 17.75           O
+ATOM   2575  N   VAL A 314      12.660  90.545 102.161  1.00 18.51           N
+ATOM   2576  CA  VAL A 314      13.193  89.834 103.298  1.00 19.17           C
+ATOM   2577  C   VAL A 314      12.900  88.360 103.090  1.00 22.22           C
+ATOM   2578  O   VAL A 314      11.773  87.993 102.769  1.00 20.46           O
+ATOM   2579  CB  VAL A 314      12.569  90.337 104.605  1.00 23.72           C
+ATOM   2580  CG1 VAL A 314      13.117  89.549 105.768  1.00 21.59           C
+ATOM   2581  CG2 VAL A 314      12.863  91.820 104.782  1.00 20.28           C
+ATOM   2582  N   VAL A 315      13.923  87.525 103.252  1.00 18.62           N
+ATOM   2583  CA  VAL A 315      13.827  86.100 102.959  1.00 18.25           C
+ATOM   2584  C   VAL A 315      14.111  85.267 104.206  1.00 29.62           C
+ATOM   2585  O   VAL A 315      15.112  85.480 104.878  1.00 21.90           O
+ATOM   2586  CB  VAL A 315      14.849  85.702 101.840  1.00 22.19           C
+ATOM   2587  CG1 VAL A 315      14.773  84.211 101.545  1.00 21.68           C
+ATOM   2588  CG2 VAL A 315      14.600  86.528 100.565  1.00 21.75           C
+ATOM   2589  N   ASN A 316      13.220  84.324 104.510  1.00 24.18           N
+ATOM   2590  CA  ASN A 316      13.421  83.357 105.587  1.00 26.51           C
+ATOM   2591  C   ASN A 316      14.335  82.218 105.105  1.00 22.19           C
+ATOM   2592  O   ASN A 316      13.990  81.491 104.172  1.00 25.02           O
+ATOM   2593  CB  ASN A 316      12.041  82.812 106.009  1.00 26.43           C
+ATOM   2594  CG  ASN A 316      12.102  81.877 107.208  1.00 36.30           C
+ATOM   2595  OD1 ASN A 316      13.088  81.168 107.409  1.00 31.07           O
+ATOM   2596  ND2 ASN A 316      11.019  81.863 108.008  1.00 32.33           N
+ATOM   2597  N   VAL A 317      15.511  82.074 105.718  1.00 26.48           N
+ATOM   2598  CA  VAL A 317      16.482  81.098 105.225  1.00 27.56           C
+ATOM   2599  C   VAL A 317      16.068  79.648 105.453  1.00 30.58           C
+ATOM   2600  O   VAL A 317      16.578  78.743 104.790  1.00 29.84           O
+ATOM   2601  CB  VAL A 317      17.903  81.316 105.803  1.00 26.11           C
+ATOM   2602  CG1 VAL A 317      18.383  82.724 105.506  1.00 21.84           C
+ATOM   2603  CG2 VAL A 317      17.930  81.020 107.295  1.00 31.78           C
+ATOM   2604  N   THR A 318      15.145  79.416 106.380  1.00 27.50           N
+ATOM   2605  CA  THR A 318      14.706  78.040 106.637  1.00 29.06           C
+ATOM   2606  C   THR A 318      13.903  77.439 105.484  1.00 32.51           C
+ATOM   2607  O   THR A 318      14.128  76.287 105.108  1.00 31.24           O
+ATOM   2608  CB  THR A 318      13.870  77.938 107.924  1.00 34.90           C
+ATOM   2609  OG1 THR A 318      14.574  78.568 108.999  1.00 29.65           O
+ATOM   2610  CG2 THR A 318      13.595  76.472 108.262  1.00 33.92           C
+ATOM   2611  N   ASP A 319      12.984  78.225 104.920  1.00 29.19           N
+ATOM   2612  CA  ASP A 319      12.024  77.730 103.930  1.00 31.93           C
+ATOM   2613  C   ASP A 319      11.893  78.606 102.682  1.00 31.00           C
+ATOM   2614  O   ASP A 319      11.068  78.337 101.811  1.00 30.31           O
+ATOM   2615  CB  ASP A 319      10.642  77.580 104.577  1.00 37.00           C
+ATOM   2616  CG  ASP A 319      10.085  78.903 105.096  1.00 42.74           C
+ATOM   2617  OD1 ASP A 319      10.772  79.946 105.002  1.00 34.33           O
+ATOM   2618  OD2 ASP A 319       8.956  78.891 105.624  1.00 36.80           O
+ATOM   2619  N   ALA A 320      12.693  79.661 102.605  1.00 28.10           N
+ATOM   2620  CA  ALA A 320      12.663  80.550 101.444  1.00 26.05           C
+ATOM   2621  C   ALA A 320      11.384  81.371 101.357  1.00 23.78           C
+ATOM   2622  O   ALA A 320      11.107  81.963 100.317  1.00 26.05           O
+ATOM   2623  CB  ALA A 320      12.871  79.763 100.146  1.00 24.28           C
+ATOM   2624  N   ASP A 321      10.591  81.381 102.425  1.00 25.29           N
+ATOM   2625  CA  ASP A 321       9.438  82.276 102.494  1.00 27.76           C
+ATOM   2626  C   ASP A 321       9.989  83.696 102.435  1.00 29.70           C
+ATOM   2627  O   ASP A 321      11.113  83.934 102.866  1.00 25.23           O
+ATOM   2628  CB  ASP A 321       8.668  82.083 103.800  1.00 28.40           C
+ATOM   2629  CG  ASP A 321       7.289  82.743 103.770  1.00 33.63           C
+ATOM   2630  OD1 ASP A 321       6.786  83.050 102.664  1.00 32.53           O
+ATOM   2631  OD2 ASP A 321       6.715  82.961 104.854  1.00 40.79           O
+ATOM   2632  N   SER A 322       9.214  84.635 101.906  1.00 27.17           N
+ATOM   2633  CA  SER A 322       9.748  85.973 101.656  1.00 23.66           C
+ATOM   2634  C   SER A 322       8.646  86.997 101.481  1.00 26.56           C
+ATOM   2635  O   SER A 322       7.505  86.653 101.190  1.00 24.72           O
+ATOM   2636  CB  SER A 322      10.606  85.978 100.384  1.00 22.04           C
+ATOM   2637  OG  SER A 322       9.820  85.748  99.220  1.00 21.19           O
+ATOM   2638  N   VAL A 323       9.006  88.264 101.628  1.00 19.45           N
+ATOM   2639  CA  VAL A 323       8.087  89.354 101.318  1.00 20.26           C
+ATOM   2640  C   VAL A 323       8.887  90.405 100.569  1.00 23.00           C
+ATOM   2641  O   VAL A 323      10.065  90.646 100.895  1.00 20.07           O
+ATOM   2642  CB  VAL A 323       7.454  89.958 102.591  1.00 21.37           C
+ATOM   2643  CG1 VAL A 323       8.529  90.440 103.537  1.00 22.64           C
+ATOM   2644  CG2 VAL A 323       6.534  91.108 102.234  1.00 26.00           C
+ATOM   2645  N   TRP A 324       8.259  91.013  99.567  1.00 16.06           N
+ATOM   2646  CA  TRP A 324       8.945  91.931  98.664  1.00 20.78           C
+ATOM   2647  C   TRP A 324       8.226  93.255  98.595  1.00 19.24           C
+ATOM   2648  O   TRP A 324       6.997  93.301  98.583  1.00 21.39           O
+ATOM   2649  CB  TRP A 324       9.099  91.310  97.262  1.00 19.33           C
+ATOM   2650  CG  TRP A 324       9.910  90.092  97.359  1.00 23.10           C
+ATOM   2651  CD1 TRP A 324       9.467  88.832  97.629  1.00 21.89           C
+ATOM   2652  CD2 TRP A 324      11.338  90.011  97.277  1.00 18.10           C
+ATOM   2653  NE1 TRP A 324      10.527  87.968  97.697  1.00 20.89           N
+ATOM   2654  CE2 TRP A 324      11.688  88.668  97.495  1.00 20.02           C
+ATOM   2655  CE3 TRP A 324      12.350  90.943  97.037  1.00 16.83           C
+ATOM   2656  CZ2 TRP A 324      13.008  88.232  97.479  1.00 20.16           C
+ATOM   2657  CZ3 TRP A 324      13.666  90.502  97.013  1.00 19.68           C
+ATOM   2658  CH2 TRP A 324      13.984  89.164  97.246  1.00 17.54           C
+ATOM   2659  N   MET A 325       9.000  94.331  98.541  1.00 16.05           N
+ATOM   2660  CA  MET A 325       8.449  95.678  98.542  1.00 19.05           C
+ATOM   2661  C   MET A 325       7.783  96.003  97.207  1.00 25.17           C
+ATOM   2662  O   MET A 325       8.380  95.836  96.138  1.00 21.34           O
+ATOM   2663  CB  MET A 325       9.548  96.695  98.829  1.00 18.34           C
+ATOM   2664  CG  MET A 325       9.035  98.104  99.033  1.00 22.26           C
+ATOM   2665  SD  MET A 325      10.388  99.262  99.277  1.00 24.74           S
+ATOM   2666  CE  MET A 325       9.443 100.761  99.570  1.00 24.90           C
+ATOM   2667  N   GLU A 326       6.540  96.468  97.270  1.00 19.08           N
+ATOM   2668  CA  GLU A 326       5.855  96.903  96.059  1.00 21.93           C
+ATOM   2669  C   GLU A 326       6.440  98.220  95.561  1.00 24.05           C
+ATOM   2670  O   GLU A 326       6.484  99.212  96.288  1.00 25.48           O
+ATOM   2671  CB  GLU A 326       4.357  97.070  96.329  1.00 29.84           C
+ATOM   2672  CG  GLU A 326       3.616  97.738  95.187  1.00 31.63           C
+ATOM   2673  CD  GLU A 326       3.663  96.918  93.911  1.00 39.36           C
+ATOM   2674  OE1 GLU A 326       3.776  95.675  94.004  1.00 44.61           O
+ATOM   2675  OE2 GLU A 326       3.596  97.522  92.817  1.00 50.57           O
+ATOM   2676  N   MET A 327       6.906  98.215  94.321  1.00 23.67           N
+ATOM   2677  CA  MET A 327       7.396  99.423  93.674  1.00 30.43           C
+ATOM   2678  C   MET A 327       6.759  99.572  92.292  1.00 38.53           C
+ATOM   2679  O   MET A 327       6.841  98.678  91.447  1.00 46.30           O
+ATOM   2680  CB  MET A 327       8.919  99.393  93.558  1.00 34.21           C
+ATOM   2681  CG  MET A 327       9.641  99.355  94.892  1.00 28.10           C
+ATOM   2682  SD  MET A 327      11.451  99.403  94.714  1.00 36.88           S
+ATOM   2683  CE  MET A 327      11.860  97.686  94.468  1.00 30.23           C
+ATOM   2684  N   ASP A 328       6.113 100.708  92.081  1.00 37.86           N
+ATOM   2685  CA  ASP A 328       5.442 101.016  90.830  1.00 34.80           C
+ATOM   2686  C   ASP A 328       6.460 101.531  89.824  1.00 35.06           C
+ATOM   2687  O   ASP A 328       7.059 102.580  90.034  1.00 35.99           O
+ATOM   2688  CB  ASP A 328       4.391 102.092  91.097  1.00 44.31           C
+ATOM   2689  CG  ASP A 328       3.643 102.504  89.851  1.00 58.16           C
+ATOM   2690  OD1 ASP A 328       2.880 103.492  89.931  1.00 61.91           O
+ATOM   2691  OD2 ASP A 328       3.824 101.850  88.799  1.00 55.56           O
+ATOM   2692  N   ASP A 329       6.656 100.806  88.727  1.00 38.54           N
+ATOM   2693  CA  ASP A 329       7.718 101.174  87.790  1.00 50.11           C
+ATOM   2694  C   ASP A 329       7.353 102.355  86.894  1.00 57.16           C
+ATOM   2695  O   ASP A 329       8.152 102.761  86.048  1.00 51.24           O
+ATOM   2696  CB  ASP A 329       8.174  99.977  86.952  1.00 55.60           C
+ATOM   2697  CG  ASP A 329       7.073  99.421  86.090  1.00 67.53           C
+ATOM   2698  OD1 ASP A 329       6.342  98.524  86.568  1.00 76.67           O
+ATOM   2699  OD2 ASP A 329       6.938  99.883  84.938  1.00 66.81           O
+ATOM   2700  N   GLU A 330       6.152 102.904  87.083  1.00 39.16           N
+ATOM   2701  CA  GLU A 330       5.765 104.130  86.389  1.00 48.62           C
+ATOM   2702  C   GLU A 330       6.063 105.358  87.238  1.00 54.74           C
+ATOM   2703  O   GLU A 330       5.796 106.487  86.828  1.00 56.31           O
+ATOM   2704  CB  GLU A 330       4.287 104.109  86.000  1.00 50.03           C
+ATOM   2705  CG  GLU A 330       3.950 103.124  84.887  1.00 52.01           C
+ATOM   2706  CD  GLU A 330       2.488 103.186  84.477  1.00 70.81           C
+ATOM   2707  OE1 GLU A 330       1.679 103.774  85.230  1.00 70.48           O
+ATOM   2708  OE2 GLU A 330       2.150 102.652  83.400  1.00 67.56           O
+ATOM   2709  N   GLU A 331       6.610 105.139  88.429  1.00 47.08           N
+ATOM   2710  CA  GLU A 331       7.074 106.255  89.242  1.00 46.92           C
+ATOM   2711  C   GLU A 331       8.537 106.078  89.660  1.00 48.77           C
+ATOM   2712  O   GLU A 331       9.146 105.039  89.390  1.00 43.74           O
+ATOM   2713  CB  GLU A 331       6.153 106.502  90.441  1.00 48.36           C
+ATOM   2714  CG  GLU A 331       5.997 105.343  91.414  1.00 55.20           C
+ATOM   2715  CD  GLU A 331       5.040 105.682  92.556  1.00 69.93           C
+ATOM   2716  OE1 GLU A 331       5.103 105.025  93.623  1.00 63.33           O
+ATOM   2717  OE2 GLU A 331       4.224 106.617  92.383  1.00 71.61           O
+ATOM   2718  N   ASP A 332       9.104 107.102  90.293  1.00 39.37           N
+ATOM   2719  CA  ASP A 332      10.503 107.047  90.701  1.00 45.61           C
+ATOM   2720  C   ASP A 332      10.706 105.922  91.702  1.00 38.14           C
+ATOM   2721  O   ASP A 332       9.780 105.551  92.412  1.00 30.67           O
+ATOM   2722  CB  ASP A 332      10.936 108.376  91.322  1.00 45.05           C
+ATOM   2723  CG  ASP A 332      10.774 109.544  90.367  1.00 59.30           C
+ATOM   2724  OD1 ASP A 332      10.603 109.298  89.153  1.00 58.76           O
+ATOM   2725  OD2 ASP A 332      10.824 110.704  90.830  1.00 55.07           O
+ATOM   2726  N   LEU A 333      11.922 105.389  91.769  1.00 30.40           N
+ATOM   2727  CA  LEU A 333      12.240 104.385  92.770  1.00 27.08           C
+ATOM   2728  C   LEU A 333      12.108 104.983  94.174  1.00 25.49           C
+ATOM   2729  O   LEU A 333      12.298 106.182  94.359  1.00 29.35           O
+ATOM   2730  CB  LEU A 333      13.662 103.860  92.531  1.00 25.95           C
+ATOM   2731  CG  LEU A 333      13.771 102.983  91.278  1.00 29.36           C
+ATOM   2732  CD1 LEU A 333      15.226 102.717  90.885  1.00 32.06           C
+ATOM   2733  CD2 LEU A 333      13.029 101.675  91.513  1.00 28.53           C
+ATOM   2734  N   PRO A 334      11.788 104.147  95.172  1.00 23.33           N
+ATOM   2735  CA  PRO A 334      11.682 104.657  96.543  1.00 27.03           C
+ATOM   2736  C   PRO A 334      12.997 105.302  96.972  1.00 28.14           C
+ATOM   2737  O   PRO A 334      14.059 104.861  96.540  1.00 25.71           O
+ATOM   2738  CB  PRO A 334      11.413 103.397  97.371  1.00 33.92           C
+ATOM   2739  CG  PRO A 334      10.867 102.404  96.404  1.00 38.93           C
+ATOM   2740  CD  PRO A 334      11.534 102.701  95.091  1.00 29.43           C
+ATOM   2741  N   SER A 335      12.918 106.336  97.799  1.00 29.63           N
+ATOM   2742  CA  SER A 335      14.105 106.997  98.314  1.00 28.84           C
+ATOM   2743  C   SER A 335      14.691 106.097  99.382  1.00 25.99           C
+ATOM   2744  O   SER A 335      14.049 105.134  99.805  1.00 22.35           O
+ATOM   2745  CB  SER A 335      13.738 108.356  98.920  1.00 30.80           C
+ATOM   2746  OG  SER A 335      13.000 108.173 100.113  1.00 28.76           O
+ATOM   2747  N   ALA A 336      15.915 106.392  99.811  1.00 27.73           N
+ATOM   2748  CA  ALA A 336      16.544 105.620 100.867  1.00 22.14           C
+ATOM   2749  C   ALA A 336      15.690 105.619 102.132  1.00 23.28           C
+ATOM   2750  O   ALA A 336      15.579 104.605 102.825  1.00 20.96           O
+ATOM   2751  CB  ALA A 336      17.946 106.180 101.172  1.00 23.89           C
+ATOM   2752  N   GLU A 337      15.089 106.762 102.438  1.00 26.90           N
+ATOM   2753  CA  GLU A 337      14.220 106.868 103.612  1.00 28.42           C
+ATOM   2754  C   GLU A 337      12.990 105.946 103.522  1.00 25.76           C
+ATOM   2755  O   GLU A 337      12.564 105.331 104.508  1.00 22.98           O
+ATOM   2756  CB  GLU A 337      13.798 108.328 103.812  1.00 31.62           C
+ATOM   2757  CG  GLU A 337      14.945 109.267 104.216  1.00 37.30           C
+ATOM   2758  CD  GLU A 337      15.845 109.737 103.050  1.00 36.70           C
+ATOM   2759  OE1 GLU A 337      15.610 109.370 101.874  1.00 31.38           O
+ATOM   2760  OE2 GLU A 337      16.798 110.506 103.324  1.00 48.03           O
+ATOM   2761  N   GLU A 338      12.425 105.844 102.332  1.00 22.13           N
+ATOM   2762  CA  GLU A 338      11.297 104.941 102.120  1.00 25.24           C
+ATOM   2763  C   GLU A 338      11.687 103.465 102.257  1.00 21.98           C
+ATOM   2764  O   GLU A 338      10.945 102.660 102.856  1.00 20.33           O
+ATOM   2765  CB  GLU A 338      10.714 105.172 100.739  1.00 25.17           C
+ATOM   2766  CG  GLU A 338      10.157 106.554 100.494  1.00 36.25           C
+ATOM   2767  CD  GLU A 338       9.855 106.745  99.023  1.00 34.74           C
+ATOM   2768  OE1 GLU A 338      10.455 107.637  98.391  1.00 42.16           O
+ATOM   2769  OE2 GLU A 338       9.045 105.963  98.490  1.00 43.70           O
+ATOM   2770  N   LEU A 339      12.844 103.099 101.692  1.00 18.84           N
+ATOM   2771  CA  LEU A 339      13.365 101.737 101.870  1.00 22.54           C
+ATOM   2772  C   LEU A 339      13.562 101.418 103.345  1.00 19.80           C
+ATOM   2773  O   LEU A 339      13.170 100.354 103.821  1.00 18.99           O
+ATOM   2774  CB  LEU A 339      14.699 101.522 101.123  1.00 20.29           C
+ATOM   2775  CG  LEU A 339      14.696 101.636  99.599  1.00 27.18           C
+ATOM   2776  CD1 LEU A 339      15.948 100.956  99.042  1.00 24.20           C
+ATOM   2777  CD2 LEU A 339      13.441 101.006  99.006  1.00 25.10           C
+ATOM   2778  N   GLU A 340      14.173 102.339 104.080  1.00 22.37           N
+ATOM   2779  CA  GLU A 340      14.417 102.079 105.490  1.00 22.14           C
+ATOM   2780  C   GLU A 340      13.096 101.932 106.244  1.00 20.17           C
+ATOM   2781  O   GLU A 340      12.946 101.047 107.074  1.00 21.39           O
+ATOM   2782  CB  GLU A 340      15.268 103.180 106.101  1.00 22.51           C
+ATOM   2783  CG  GLU A 340      16.649 103.253 105.464  1.00 25.17           C
+ATOM   2784  CD  GLU A 340      17.538 104.309 106.083  1.00 42.41           C
+ATOM   2785  OE1 GLU A 340      18.189 105.036 105.304  1.00 34.80           O
+ATOM   2786  OE2 GLU A 340      17.604 104.385 107.335  1.00 41.26           O
+ATOM   2787  N   ASP A 341      12.155 102.811 105.928  1.00 25.93           N
+ATOM   2788  CA  ASP A 341      10.814 102.793 106.514  1.00 20.19           C
+ATOM   2789  C   ASP A 341      10.136 101.450 106.245  1.00 21.56           C
+ATOM   2790  O   ASP A 341       9.507 100.860 107.127  1.00 25.19           O
+ATOM   2791  CB  ASP A 341      10.026 103.916 105.851  1.00 22.87           C
+ATOM   2792  CG  ASP A 341       8.773 104.288 106.605  1.00 46.56           C
+ATOM   2793  OD1 ASP A 341       8.865 104.600 107.815  1.00 43.47           O
+ATOM   2794  OD2 ASP A 341       7.693 104.281 105.967  1.00 40.22           O
+ATOM   2795  N   TRP A 342      10.240 100.977 105.006  1.00 21.59           N
+ATOM   2796  CA  TRP A 342       9.646  99.697 104.648  1.00 22.64           C
+ATOM   2797  C   TRP A 342      10.306  98.561 105.415  1.00 25.81           C
+ATOM   2798  O   TRP A 342       9.631  97.687 105.956  1.00 20.09           O
+ATOM   2799  CB  TRP A 342       9.708  99.455 103.130  1.00 21.00           C
+ATOM   2800  CG  TRP A 342       8.962  98.221 102.736  1.00 20.53           C
+ATOM   2801  CD1 TRP A 342       7.610  98.110 102.554  1.00 23.71           C
+ATOM   2802  CD2 TRP A 342       9.509  96.913 102.490  1.00 17.73           C
+ATOM   2803  NE1 TRP A 342       7.284  96.818 102.211  1.00 22.96           N
+ATOM   2804  CE2 TRP A 342       8.428  96.063 102.164  1.00 17.52           C
+ATOM   2805  CE3 TRP A 342      10.806  96.379 102.513  1.00 18.49           C
+ATOM   2806  CZ2 TRP A 342       8.601  94.708 101.869  1.00 24.22           C
+ATOM   2807  CZ3 TRP A 342      10.975  95.041 102.216  1.00 20.71           C
+ATOM   2808  CH2 TRP A 342       9.880  94.215 101.902  1.00 24.03           C
+ATOM   2809  N   LEU A 343      11.637  98.566 105.474  1.00 20.45           N
+ATOM   2810  CA  LEU A 343      12.329  97.529 106.209  1.00 20.56           C
+ATOM   2811  C   LEU A 343      11.887  97.526 107.679  1.00 21.28           C
+ATOM   2812  O   LEU A 343      11.636  96.471 108.253  1.00 24.40           O
+ATOM   2813  CB  LEU A 343      13.852  97.696 106.078  1.00 16.65           C
+ATOM   2814  CG  LEU A 343      14.406  97.381 104.674  1.00 24.57           C
+ATOM   2815  CD1 LEU A 343      15.911  97.715 104.582  1.00 23.20           C
+ATOM   2816  CD2 LEU A 343      14.161  95.908 104.280  1.00 18.10           C
+ATOM   2817  N   GLU A 344      11.780  98.712 108.273  1.00 23.42           N
+ATOM   2818  CA  GLU A 344      11.309  98.825 109.654  1.00 24.53           C
+ATOM   2819  C   GLU A 344       9.933  98.189 109.827  1.00 23.22           C
+ATOM   2820  O   GLU A 344       9.710  97.391 110.749  1.00 28.68           O
+ATOM   2821  CB  GLU A 344      11.282 100.296 110.102  1.00 26.83           C
+ATOM   2822  CG  GLU A 344      12.661 100.900 110.342  1.00 29.39           C
+ATOM   2823  CD  GLU A 344      12.609 102.375 110.746  1.00 49.20           C
+ATOM   2824  OE1 GLU A 344      11.534 102.848 111.176  1.00 50.78           O
+ATOM   2825  OE2 GLU A 344      13.652 103.059 110.630  1.00 60.26           O
+ATOM   2826  N   ASP A 345       9.018  98.541 108.931  1.00 27.96           N
+ATOM   2827  CA  ASP A 345       7.655  98.009 108.964  1.00 24.00           C
+ATOM   2828  C   ASP A 345       7.651  96.498 108.919  1.00 27.12           C
+ATOM   2829  O   ASP A 345       6.934  95.840 109.668  1.00 27.03           O
+ATOM   2830  CB  ASP A 345       6.866  98.507 107.755  1.00 24.57           C
+ATOM   2831  CG  ASP A 345       6.460  99.960 107.877  1.00 32.79           C
+ATOM   2832  OD1 ASP A 345       6.626 100.534 108.980  1.00 26.96           O
+ATOM   2833  OD2 ASP A 345       5.974 100.511 106.861  1.00 29.21           O
+ATOM   2834  N   VAL A 346       8.422  95.934 108.001  1.00 21.87           N
+ATOM   2835  CA  VAL A 346       8.410  94.489 107.832  1.00 19.26           C
+ATOM   2836  C   VAL A 346       9.093  93.780 109.005  1.00 26.21           C
+ATOM   2837  O   VAL A 346       8.608  92.762 109.495  1.00 26.81           O
+ATOM   2838  CB  VAL A 346       9.117  94.072 106.516  1.00 28.32           C
+ATOM   2839  CG1 VAL A 346       9.430  92.572 106.522  1.00 29.87           C
+ATOM   2840  CG2 VAL A 346       8.255  94.448 105.327  1.00 31.03           C
+ATOM   2841  N   LEU A 347      10.224  94.312 109.452  1.00 26.54           N
+ATOM   2842  CA  LEU A 347      11.022  93.597 110.448  1.00 30.00           C
+ATOM   2843  C   LEU A 347      10.518  93.762 111.887  1.00 42.74           C
+ATOM   2844  O   LEU A 347      10.876  92.972 112.764  1.00 43.13           O
+ATOM   2845  CB  LEU A 347      12.500  93.980 110.343  1.00 30.64           C
+ATOM   2846  CG  LEU A 347      13.151  93.584 109.012  1.00 35.29           C
+ATOM   2847  CD1 LEU A 347      14.628  93.867 109.021  1.00 42.88           C
+ATOM   2848  CD2 LEU A 347      12.890  92.120 108.734  1.00 40.37           C
+ATOM   2849  N   GLU A 348       9.691  94.778 112.128  1.00 41.22           N
+ATOM   2850  CA  GLU A 348       9.082  94.962 113.446  1.00 53.49           C
+ATOM   2851  C   GLU A 348       7.914  93.994 113.660  1.00 56.15           C
+ATOM   2852  O   GLU A 348       7.765  93.418 114.742  1.00 60.80           O
+ATOM   2853  CB  GLU A 348       8.609  96.406 113.646  1.00 49.50           C
+ATOM   2854  CG  GLU A 348       7.244  96.710 113.042  0.77 45.95           C
+ATOM   2855  CD  GLU A 348       6.668  98.024 113.532  0.00 48.81           C
+ATOM   2856  OE1 GLU A 348       7.288  98.648 114.419  1.00 64.90           O
+ATOM   2857  OE2 GLU A 348       5.596  98.430 113.033  1.00 45.80           O
+ATOM   2858  N   GLY A 349       7.099  93.817 112.620  0.77 52.21           N
+ATOM   2859  CA  GLY A 349       5.922  92.966 112.685  0.77 56.23           C
+ATOM   2860  C   GLY A 349       6.255  91.498 112.874  0.77 65.30           C
+ATOM   2861  O   GLY A 349       5.722  90.840 113.772  0.77 68.03           O
+ATOM   2862  N   GLU A 350       7.137  90.981 112.023  0.40 58.26           N
+ATOM   2863  CA  GLU A 350       7.573  89.592 112.119  0.85 60.72           C
+ATOM   2864  C   GLU A 350       8.880  89.487 112.898  0.49 60.99           C
+ATOM   2865  O   GLU A 350       9.210  90.364 113.699  0.83 61.21           O
+ATOM   2866  CB  GLU A 350       7.736  88.979 110.726  1.00 69.58           C
+TER    2867      GLU A 350
+HETATM 2868  C1  NAG B   1      11.023  80.768 108.893  1.00 35.29           C
+HETATM 2869  C2  NAG B   1      10.445  81.296 110.205  1.00 46.42           C
+HETATM 2870  C3  NAG B   1      10.288  80.207 111.260  1.00 54.67           C
+HETATM 2871  C4  NAG B   1       9.588  78.984 110.690  1.00 56.99           C
+HETATM 2872  C5  NAG B   1      10.074  78.590 109.296  1.00 49.18           C
+HETATM 2873  C6  NAG B   1       9.056  77.616 108.699  1.00 53.03           C
+HETATM 2874  C7  NAG B   1      10.737  83.585 110.865  1.00 43.85           C
+HETATM 2875  C8  NAG B   1       9.285  83.744 110.513  1.00 49.30           C
+HETATM 2876  N2  NAG B   1      11.255  82.366 110.745  1.00 40.98           N
+HETATM 2877  O3  NAG B   1       9.526  80.716 112.333  1.00 50.80           O
+HETATM 2878  O4  NAG B   1       9.824  77.899 111.564  1.00 74.11           O
+HETATM 2879  O5  NAG B   1      10.217  79.699 108.422  1.00 42.36           O
+HETATM 2880  O6  NAG B   1       9.620  76.866 107.647  1.00 54.21           O
+HETATM 2881  O7  NAG B   1      11.394  84.550 111.246  1.00 48.61           O
+HETATM 2882  C1  NAG B   2       8.594  77.396 112.126  1.00 71.83           C
+HETATM 2883  C2  NAG B   2       8.906  76.085 112.848  1.00 70.27           C
+HETATM 2884  C3  NAG B   2       7.685  75.525 113.567  1.00 87.29           C
+HETATM 2885  C4  NAG B   2       7.025  76.612 114.405  1.00 91.87           C
+HETATM 2886  C5  NAG B   2       6.757  77.841 113.539  1.00 83.99           C
+HETATM 2887  C6  NAG B   2       6.095  78.960 114.334  1.00 86.69           C
+HETATM 2888  C7  NAG B   2      10.728  74.901 111.749  1.00 71.74           C
+HETATM 2889  C8  NAG B   2      11.659  75.665 112.648  1.00 72.16           C
+HETATM 2890  N2  NAG B   2       9.420  75.111 111.906  1.00 68.13           N
+HETATM 2891  O3  NAG B   2       8.064  74.443 114.394  1.00 92.07           O
+HETATM 2892  O4  NAG B   2       5.821  76.121 114.957  1.00 94.37           O
+HETATM 2893  O5  NAG B   2       7.968  78.320 112.991  1.00 73.71           O
+HETATM 2894  O6  NAG B   2       5.854  80.056 113.478  1.00 87.62           O
+HETATM 2895  O7  NAG B   2      11.181  74.124 110.907  1.00 68.26           O
+HETATM 2896  C1  MPD A 403      19.206  79.453  99.259  1.00 28.29           C
+HETATM 2897  C2  MPD A 403      17.903  79.909  98.613  1.00 31.08           C
+HETATM 2898  O2  MPD A 403      17.777  79.337  97.289  1.00 28.09           O
+HETATM 2899  CM  MPD A 403      16.742  79.400  99.462  1.00 37.07           C
+HETATM 2900  C3  MPD A 403      17.826  81.422  98.476  1.00 30.99           C
+HETATM 2901  C4  MPD A 403      18.914  81.991  97.564  1.00 29.40           C
+HETATM 2902  O4  MPD A 403      18.836  81.451  96.261  1.00 27.74           O
+HETATM 2903  C5  MPD A 403      18.782  83.499  97.473  1.00 33.12           C
+HETATM 2904  C1  MPD A 404      16.177 100.622 110.957  1.00 39.73           C
+HETATM 2905  C2  MPD A 404      16.621  99.633 109.885  1.00 47.56           C
+HETATM 2906  O2  MPD A 404      15.518  98.756 109.554  1.00 54.65           O
+HETATM 2907  CM  MPD A 404      17.018 100.381 108.616  1.00 46.62           C
+HETATM 2908  C3  MPD A 404      17.789  98.789 110.385  1.00 54.82           C
+HETATM 2909  C4  MPD A 404      17.348  97.625 111.271  1.00 59.81           C
+HETATM 2910  O4  MPD A 404      16.005  97.784 111.668  1.00 65.08           O
+HETATM 2911  C5  MPD A 404      17.497  96.286 110.558  1.00 48.49           C
+HETATM 2912  C1  MRD A 405      23.210  75.558  88.295  1.00 28.06           C
+HETATM 2913  C2  MRD A 405      22.770  75.360  89.735  1.00 30.35           C
+HETATM 2914  O2  MRD A 405      22.288  76.635  90.222  1.00 30.56           O
+HETATM 2915  CM  MRD A 405      23.962  74.922  90.573  1.00 30.81           C
+HETATM 2916  C3  MRD A 405      21.661  74.321  89.893  1.00 26.27           C
+HETATM 2917  C4  MRD A 405      20.444  74.503  88.989  1.00 34.87           C
+HETATM 2918  O4  MRD A 405      19.753  75.704  89.260  1.00 26.04           O
+HETATM 2919  C5  MRD A 405      19.481  73.336  89.207  1.00 31.79           C
 HETATM 2920 CA    CA A 406      41.108  59.590  96.329  0.63 35.80          CA2+
 HETATM 2921 CA    CA A 407      29.052  98.991 108.247  0.52 23.76          CA2+
 HETATM 2922 CA    CA A 408      44.162 109.024 106.784  0.57 36.83          CA2+
 HETATM 2923 CA    CA A 409      49.982  97.775 117.479  0.55 29.96          CA2+
 HETATM 2924 NA    NA A 410      39.774  88.282  95.308  1.00 32.90          NA1+
 HETATM 2925 NA    NA A 411      14.880  80.847 109.829  1.00 43.66          NA1+
-HETATM 2926  O   HOH A 501      38.726  59.371  95.416  1.00 35.12           O  
-HETATM 2927  O   HOH A 502      28.591  98.260 103.454  1.00 17.86           O  
-HETATM 2928  O   HOH A 503      27.052  93.759  88.751  1.00 18.06           O  
-HETATM 2929  O   HOH A 504      10.687  94.482  95.572  1.00 16.87           O  
-HETATM 2930  O   HOH A 505      57.481 100.675 107.743  1.00 19.86           O  
-HETATM 2931  O   HOH A 506      46.855 101.306 111.313  1.00 18.92           O  
-HETATM 2932  O   HOH A 507      24.563  94.172  85.564  1.00 21.92           O  
-HETATM 2933  O   HOH A 508      29.285  86.567  98.153  1.00 17.11           O  
-HETATM 2934  O   HOH A 509      63.837  96.921  99.628  1.00 19.73           O  
-HETATM 2935  O   HOH A 510      51.481  96.140 109.799  1.00 17.31           O  
-HETATM 2936  O   HOH A 511      40.765  67.068  82.248  1.00 20.81           O  
-HETATM 2937  O   HOH A 512      16.496  92.976  89.189  1.00 19.59           O  
-HETATM 2938  O   HOH A 513      23.916  80.910  87.552  1.00 21.18           O  
-HETATM 2939  O   HOH A 514      43.054  94.990 115.990  1.00 21.84           O  
-HETATM 2940  O   HOH A 515      44.145  76.660  79.090  1.00 21.64           O  
-HETATM 2941  O   HOH A 516      51.572  98.697 110.942  1.00 19.33           O  
-HETATM 2942  O   HOH A 517      25.601  89.471  92.322  1.00 16.23           O  
-HETATM 2943  O   HOH A 518      30.822  74.454  84.925  1.00 16.41           O  
-HETATM 2944  O   HOH A 519       5.747  89.804  98.482  1.00 21.34           O  
-HETATM 2945  O   HOH A 520      44.761 106.898 107.622  1.00 26.15           O  
-HETATM 2946  O   HOH A 521      17.410  95.615  88.383  1.00 19.46           O  
-HETATM 2947  O   HOH A 522      46.513 103.478 114.230  1.00 21.77           O  
-HETATM 2948  O   HOH A 523      60.957  97.418  98.919  1.00 19.39           O  
-HETATM 2949  O   HOH A 524      38.515  64.166  81.688  1.00 22.32           O  
-HETATM 2950  O   HOH A 525      33.088  95.266 106.136  1.00 23.43           O  
-HETATM 2951  O   HOH A 526      16.692  78.730  87.975  1.00 21.57           O  
-HETATM 2952  O   HOH A 527      34.138  97.221  92.919  1.00 21.33           O  
-HETATM 2953  O   HOH A 528      53.182  90.422 113.631  1.00 19.84           O  
-HETATM 2954  O   HOH A 529      40.920  85.351  87.981  1.00 26.56           O  
-HETATM 2955  O   HOH A 530      36.988  60.728 105.951  1.00 33.33           O  
-HETATM 2956  O   HOH A 531      31.559  76.914  83.916  1.00 24.69           O  
-HETATM 2957  O   HOH A 532      54.000  95.122 113.241  1.00 21.98           O  
-HETATM 2958  O   HOH A 533      24.722 106.383  96.855  1.00 26.15           O  
-HETATM 2959  O   HOH A 534      43.358 105.458 102.606  1.00 25.66           O  
-HETATM 2960  O   HOH A 535      46.180  89.242  95.715  1.00 26.01           O  
-HETATM 2961  O   HOH A 536      59.768  95.894  96.832  1.00 31.86           O  
-HETATM 2962  O   HOH A 537      16.068  96.849  86.459  1.00 24.33           O  
-HETATM 2963  O   HOH A 538      46.898  76.822  82.209  1.00 26.42           O  
-HETATM 2964  O   HOH A 539      33.358  73.547  98.473  1.00 26.76           O  
-HETATM 2965  O   HOH A 540      20.643  86.513  84.255  1.00 25.83           O  
-HETATM 2966  O   HOH A 541      34.756 101.195  99.093  1.00 27.96           O  
-HETATM 2967  O   HOH A 542      61.235  97.380 110.153  1.00 26.56           O  
-HETATM 2968  O   HOH A 543      44.577  97.203 116.517  1.00 31.40           O  
-HETATM 2969  O   HOH A 544      32.218  98.233  91.064  1.00 27.37           O  
-HETATM 2970  O   HOH A 545      39.452 105.773 111.533  1.00 25.92           O  
-HETATM 2971  O   HOH A 546      25.934  96.682 109.378  1.00 25.98           O  
-HETATM 2972  O   HOH A 547      38.485 104.148  97.718  1.00 29.69           O  
-HETATM 2973  O   HOH A 548      35.968  98.852  99.723  1.00 20.81           O  
-HETATM 2974  O   HOH A 549       9.116  83.061  98.922  1.00 23.47           O  
-HETATM 2975  O   HOH A 550      29.960  95.104  91.597  1.00 18.04           O  
-HETATM 2976  O   HOH A 551      26.912  62.430  94.807  1.00 26.24           O  
-HETATM 2977  O   HOH A 552      32.857  97.000 108.528  1.00 26.25           O  
-HETATM 2978  O   HOH A 553      34.611  80.521  99.003  1.00 28.25           O  
-HETATM 2979  O   HOH A 554      29.568  97.766  91.707  1.00 26.61           O  
-HETATM 2980  O   HOH A 555      26.496  67.711  90.553  1.00 24.64           O  
-HETATM 2981  O   HOH A 556      55.093 101.592  96.417  1.00 28.78           O  
-HETATM 2982  O   HOH A 557       7.733  91.941  90.321  1.00 25.57           O  
-HETATM 2983  O   HOH A 558      24.040  78.829  89.395  1.00 29.85           O  
-HETATM 2984  O   HOH A 559      20.023 107.769  97.490  1.00 33.24           O  
-HETATM 2985  O   HOH A 560      10.424  81.184  86.690  1.00 25.15           O  
-HETATM 2986  O   HOH A 561      36.511  76.934  73.571  1.00 32.01           O  
-HETATM 2987  O   HOH A 562      25.367  84.417 110.905  1.00 37.42           O  
-HETATM 2988  O   HOH A 563      54.234 106.360 111.744  1.00 33.77           O  
-HETATM 2989  O   HOH A 564      46.949  84.063  88.165  1.00 24.82           O  
-HETATM 2990  O   HOH A 565      30.820  89.748  98.770  1.00 26.04           O  
-HETATM 2991  O   HOH A 566      61.465  99.886 108.579  1.00 27.81           O  
-HETATM 2992  O   HOH A 567      28.034  70.467  92.961  1.00 30.89           O  
-HETATM 2993  O   HOH A 568      62.650  98.731 106.378  1.00 25.50           O  
-HETATM 2994  O   HOH A 569      49.445 103.849 117.775  1.00 31.12           O  
-HETATM 2995  O   HOH A 570      34.498  71.651  75.217  1.00 31.37           O  
-HETATM 2996  O   HOH A 571      29.974  75.236  99.920  1.00 29.80           O  
-HETATM 2997  O   HOH A 572      30.223  88.380 104.266  1.00 31.17           O  
-HETATM 2998  O   HOH A 573      39.241  98.912  90.145  1.00 29.40           O  
-HETATM 2999  O   HOH A 574      30.608  95.481  88.972  1.00 23.89           O  
-HETATM 3000  O   HOH A 575      34.456  68.453  73.923  1.00 25.81           O  
-HETATM 3001  O   HOH A 576      32.615  96.932  88.942  1.00 33.04           O  
-HETATM 3002  O   HOH A 577      35.125  74.341  71.198  1.00 35.23           O  
-HETATM 3003  O   HOH A 578      43.556 108.082 110.017  1.00 32.25           O  
-HETATM 3004  O   HOH A 579      30.913  91.216 103.947  1.00 28.72           O  
-HETATM 3005  O   HOH A 580      41.922  68.940  72.412  1.00 36.49           O  
-HETATM 3006  O   HOH A 581      42.151 107.836 106.231  1.00 32.49           O  
-HETATM 3007  O   HOH A 582      45.021  67.657  88.066  1.00 26.27           O  
-HETATM 3008  O   HOH A 583      44.272  87.397  93.946  1.00 28.41           O  
-HETATM 3009  O   HOH A 584      25.196  77.568  93.111  1.00 34.24           O  
-HETATM 3010  O   HOH A 585      31.185  75.052  97.414  1.00 27.98           O  
-HETATM 3011  O   HOH A 586      58.293  90.744  99.746  1.00 37.02           O  
-HETATM 3012  O   HOH A 587      38.791  61.193 107.791  1.00 34.87           O  
-HETATM 3013  O   HOH A 588      28.972  81.630 106.462  1.00 29.32           O  
-HETATM 3014  O   HOH A 589      45.470  70.450  85.941  1.00 25.06           O  
-HETATM 3015  O   HOH A 590      18.182  57.824  92.071  1.00 34.91           O  
-HETATM 3016  O   HOH A 591      35.778  75.353  66.787  1.00 34.92           O  
-HETATM 3017  O   HOH A 592       7.868  93.169  93.516  1.00 27.54           O  
-HETATM 3018  O   HOH A 593      21.485  80.970 106.143  1.00 31.52           O  
-HETATM 3019  O   HOH A 594      25.386  79.559  91.392  1.00 28.01           O  
-HETATM 3020  O   HOH A 595      10.864 103.104  88.351  1.00 41.39           O  
-HETATM 3021  O   HOH A 596      18.293  79.089 102.851  1.00 31.66           O  
-HETATM 3022  O   HOH A 597      27.600  73.562  88.185  1.00 25.32           O  
-HETATM 3023  O   HOH A 598      19.703 106.593  92.832  1.00 33.35           O  
-HETATM 3024  O   HOH A 599      49.261  64.625  88.025  1.00 37.11           O  
-HETATM 3025  O   HOH A 600      54.609 104.067 113.464  1.00 30.99           O  
-HETATM 3026  O   HOH A 601      48.332  78.538  80.456  1.00 28.14           O  
-HETATM 3027  O   HOH A 602      37.466  84.620  92.075  1.00 32.71           O  
-HETATM 3028  O   HOH A 603      55.703  88.436 105.552  1.00 30.07           O  
-HETATM 3029  O   HOH A 604      27.110  82.412  88.240  1.00 27.87           O  
-HETATM 3030  O   HOH A 605      34.976 101.728 105.869  1.00 28.13           O  
-HETATM 3031  O   HOH A 606      33.687  95.038  90.237  1.00 32.90           O  
-HETATM 3032  O   HOH A 607       8.904 103.138  92.499  1.00 37.95           O  
-HETATM 3033  O   HOH A 608      27.221  75.827  89.341  1.00 31.37           O  
-HETATM 3034  O   HOH A 609      46.486  74.209  80.067  1.00 31.26           O  
-HETATM 3035  O   HOH A 610      30.000  63.352  98.011  1.00 32.15           O  
-HETATM 3036  O   HOH A 611      23.502 107.998 103.291  1.00 33.00           O  
-HETATM 3037  O   HOH A 612      58.589 102.161 111.318  1.00 28.77           O  
-HETATM 3038  O   HOH A 613       5.503  99.401  98.990  1.00 30.72           O  
-HETATM 3039  O   HOH A 614      43.430  93.292 118.308  1.00 25.25           O  
-HETATM 3040  O   HOH A 615      53.901  95.556 115.952  1.00 31.20           O  
-HETATM 3041  O   HOH A 616      53.589  60.216  97.842  1.00 35.97           O  
-HETATM 3042  O   HOH A 617      59.154  91.238 102.453  1.00 32.35           O  
-HETATM 3043  O   HOH A 618      29.098  89.023  91.510  1.00 34.53           O  
-HETATM 3044  O   HOH A 619      44.584  59.015  89.823  1.00 29.54           O  
-HETATM 3045  O   HOH A 620      19.642  90.715 106.854  1.00 30.04           O  
-HETATM 3046  O   HOH A 621      46.429 109.711 108.510  1.00 35.28           O  
-HETATM 3047  O   HOH A 622      27.982  59.233  96.976  1.00 44.26           O  
-HETATM 3048  O   HOH A 623      59.684 101.802 109.008  1.00 32.99           O  
-HETATM 3049  O   HOH A 624      52.199  83.927  95.414  1.00 32.84           O  
-HETATM 3050  O   HOH A 625      43.284 102.478  86.526  1.00 35.84           O  
-HETATM 3051  O   HOH A 626      49.347  83.746  98.790  1.00 28.79           O  
-HETATM 3052  O   HOH A 627      32.915  77.776  78.275  1.00 31.80           O  
-HETATM 3053  O   HOH A 628      27.971 100.883  89.477  1.00 41.79           O  
-HETATM 3054  O   HOH A 629       5.957  93.206  95.889  1.00 30.49           O  
-HETATM 3055  O   HOH A 630      43.518  99.882  85.870  1.00 42.16           O  
-HETATM 3056  O   HOH A 631      46.956 105.859 113.344  1.00 30.05           O  
-HETATM 3057  O   HOH A 632      40.917  96.768  90.218  1.00 40.50           O  
-HETATM 3058  O   HOH A 633      28.757  85.204  86.991  1.00 31.19           O  
-HETATM 3059  O   HOH A 634      31.908  88.606 101.022  1.00 40.60           O  
-HETATM 3060  O   HOH A 635      31.310  92.128 110.816  1.00 26.27           O  
-HETATM 3061  O   HOH A 636      29.579  70.098  96.304  1.00 34.77           O  
-HETATM 3062  O   HOH A 637      44.106  56.195 100.640  1.00 35.24           O  
-HETATM 3063  O   HOH A 638      45.562  98.562  91.821  1.00 35.66           O  
-HETATM 3064  O   HOH A 639      27.787  65.219  94.467  1.00 37.21           O  
-HETATM 3065  O   HOH A 640      37.970 100.549 115.302  1.00 37.44           O  
-HETATM 3066  O   HOH A 641      60.737 104.531 108.844  1.00 35.61           O  
-HETATM 3067  O   HOH A 642      20.531 105.328  86.123  1.00 34.45           O  
-HETATM 3068  O   HOH A 643      40.672 105.740  98.457  1.00 39.03           O  
-HETATM 3069  O   HOH A 644      35.627  83.079  91.035  1.00 28.70           O  
-HETATM 3070  O   HOH A 645      18.910  84.104  83.329  1.00 25.63           O  
-HETATM 3071  O   HOH A 646      44.759  82.068 102.063  1.00 34.34           O  
-HETATM 3072  O   HOH A 647      27.597  72.577  94.800  1.00 39.33           O  
-HETATM 3073  O   HOH A 648      26.703  85.617  84.301  1.00 32.20           O  
-HETATM 3074  O   HOH A 649      40.354  72.019  69.878  1.00 39.34           O  
-HETATM 3075  O   HOH A 650      37.609  90.054 115.498  1.00 32.01           O  
-HETATM 3076  O   HOH A 651      13.483 106.128 107.326  1.00 38.46           O  
-HETATM 3077  O   HOH A 652      46.347  63.449  82.068  1.00 31.70           O  
-HETATM 3078  O   HOH A 653      51.809  83.746  99.898  1.00 32.76           O  
-HETATM 3079  O   HOH A 654      32.772  74.430 102.167  1.00 42.73           O  
-HETATM 3080  O   HOH A 655      52.205  94.140  93.307  1.00 35.82           O  
-HETATM 3081  O   HOH A 656      55.937  89.140 110.267  1.00 39.80           O  
-HETATM 3082  O   HOH A 657      14.419  88.003  84.051  1.00 38.21           O  
-HETATM 3083  O   HOH A 658      50.985  88.151  91.542  1.00 33.26           O  
-HETATM 3084  O   HOH A 659      40.026  67.356  71.955  1.00 37.15           O  
-HETATM 3085  O   HOH A 660      51.537  95.946 117.644  1.00 35.36           O  
-HETATM 3086  O   HOH A 661       8.729  83.215 107.542  1.00 36.45           O  
-HETATM 3087  O   HOH A 662      30.837  98.722  87.942  1.00 30.47           O  
-HETATM 3088  O   HOH A 663      28.116  88.725  85.230  1.00 36.11           O  
-HETATM 3089  O   HOH A 664      52.282  59.745 100.195  1.00 38.83           O  
-HETATM 3090  O   HOH A 665      30.896  86.488 102.267  1.00 35.52           O  
-HETATM 3091  O   HOH A 666      53.532 110.879 102.691  1.00 31.59           O  
-HETATM 3092  O   HOH A 667      56.533 103.238 115.067  1.00 42.00           O  
-HETATM 3093  O   HOH A 668      30.478  86.982  88.590  1.00 35.90           O  
-HETATM 3094  O   HOH A 669      16.219 108.778  95.909  1.00 38.88           O  
-HETATM 3095  O   HOH A 670      24.949  63.558  96.134  1.00 39.35           O  
-HETATM 3096  O   HOH A 671      22.157 100.306  79.854  1.00 42.48           O  
-HETATM 3097  O   HOH A 672      50.783 105.974 116.477  1.00 34.81           O  
-HETATM 3098  O   HOH A 673      49.863  72.993  97.727  1.00 31.10           O  
-HETATM 3099  O   HOH A 674      29.128  80.437  86.568  1.00 33.58           O  
-HETATM 3100  O   HOH A 675      31.790  91.945 114.681  1.00 41.63           O  
-HETATM 3101  O   HOH A 676      45.648  71.361  78.921  1.00 36.85           O  
-HETATM 3102  O   HOH A 677      24.113 107.916 109.967  1.00 32.07           O  
-HETATM 3103  O   HOH A 678      46.965  64.336  86.269  1.00 34.40           O  
-HETATM 3104  O   HOH A 679      53.393 104.935 115.743  1.00 38.63           O  
-HETATM 3105  O   HOH A 680      17.480 108.281  98.092  1.00 34.04           O  
-HETATM 3106  O   HOH A 681      60.943 102.467  99.444  1.00 32.96           O  
-HETATM 3107  O   HOH A 682      31.505  95.306 109.811  1.00 35.06           O  
-HETATM 3108  O   HOH A 683      29.277  72.904  96.624  1.00 40.80           O  
-HETATM 3109  O   HOH A 684      37.981  95.708 115.557  1.00 37.30           O  
-HETATM 3110  O   HOH A 685      13.663 106.350  89.600  1.00 41.38           O  
-HETATM 3111  O   HOH A 686      25.808  73.233  93.118  1.00 37.50           O  
-HETATM 3112  O   HOH A 687      28.217  92.015  87.307  1.00 30.37           O  
-HETATM 3113  O   HOH A 688      10.128  83.590  85.053  1.00 31.13           O  
-HETATM 3114  O   HOH A 689      60.580 106.021 106.540  1.00 41.27           O  
-HETATM 3115  O   HOH A 690      31.855  83.199  87.990  1.00 34.71           O  
-HETATM 3116  O   HOH A 691      34.871  84.995 101.841  1.00 42.54           O  
-HETATM 3117  O   HOH A 692      15.102  99.142  83.046  1.00 41.00           O  
-HETATM 3118  O   HOH A 693      20.961  78.629 105.291  1.00 38.74           O  
-HETATM 3119  O   HOH A 694      27.909  97.538 111.818  1.00 41.29           O  
-HETATM 3120  O   HOH A 695      44.985  97.207 119.077  1.00 35.70           O  
-HETATM 3121  O   HOH A 696      41.405  71.630  72.276  1.00 37.19           O  
-HETATM 3122  O   HOH A 697      29.253  58.263  93.106  1.00 42.21           O  
-HETATM 3123  O   HOH A 698      25.974  71.576  88.636  1.00 35.57           O  
-HETATM 3124  O   HOH A 699      47.712  64.541  83.829  1.00 38.22           O  
-HETATM 3125  O   HOH A 700      43.391  73.650  72.445  1.00 44.05           O  
-HETATM 3126  O   HOH A 701      35.073  77.516  65.119  1.00 38.44           O  
-HETATM 3127  O   HOH A 702      40.854 107.376 108.508  1.00 40.10           O  
-HETATM 3128  O   HOH A 703      47.940  82.323 100.495  1.00 35.17           O  
-HETATM 3129  O   HOH A 704      40.527 103.991 113.943  1.00 36.20           O  
-HETATM 3130  O   HOH A 705      50.020  70.771  85.717  1.00 42.76           O  
-HETATM 3131  O   HOH A 706      40.281 108.133 102.142  1.00 42.68           O  
-HETATM 3132  O   HOH A 707      53.898  88.654 111.866  1.00 36.54           O  
-HETATM 3133  O   HOH A 708      20.551 107.931  94.991  1.00 39.90           O  
-HETATM 3134  O   HOH A 709      19.437  91.496 112.811  1.00 39.29           O  
-HETATM 3135  O   HOH A 710      14.357 104.153  83.659  1.00 37.00           O  
-HETATM 3136  O   HOH A 711      50.841 113.396  96.613  1.00 43.98           O  
-HETATM 3137  O   HOH A 712      26.941  58.415  94.741  1.00 40.54           O  
-HETATM 3138  O   HOH A 713       8.172  94.516  89.727  1.00 39.10           O  
-HETATM 3139  O   HOH A 714      11.878 110.329 101.478  1.00 38.99           O  
-HETATM 3140  O   HOH A 715      38.226  60.183  88.189  1.00 43.57           O  
-HETATM 3141  O   HOH A 716      53.763 107.619 115.855  1.00 42.96           O  
-HETATM 3142  O   HOH A 717      54.375  66.562 100.245  1.00 40.87           O  
-HETATM 3143  O   HOH A 718      17.713 108.057  93.127  1.00 38.33           O  
-HETATM 3144  O   HOH A 719      31.195  72.549  83.056  1.00 22.08           O  
-HETATM 3145  O   HOH A 720      28.205  74.142  85.730  1.00 22.91           O  
-HETATM 3146  O   HOH A 721      51.206  81.164  82.754  1.00 36.60           O  
-HETATM 3147  O   HOH A 722      43.454  97.019  91.623  1.00 41.25           O  
-HETATM 3148  O   HOH A 723      58.067  88.955 103.474  1.00 39.66           O  
-HETATM 3149  O   HOH A 724      47.621 111.970 107.172  1.00 41.55           O  
-HETATM 3150  O   HOH A 725      56.046  65.118  93.070  1.00 43.18           O  
-HETATM 3151  O   HOH A 726      32.783  64.138 101.543  1.00 31.17           O  
-HETATM 3152  O   HOH A 727      31.427 106.255 104.097  1.00 31.04           O  
-HETATM 3153  O   HOH A 728      34.100  81.763 101.258  1.00 39.01           O  
-HETATM 3154  O   HOH A 729      63.543 102.235 100.680  1.00 40.67           O  
-HETATM 3155  O   HOH A 730      52.039  72.238  96.910  1.00 40.03           O  
-HETATM 3156  O   HOH A 731      30.751  99.244 110.851  1.00 38.39           O  
-HETATM 3157  O   HOH A 732      42.377  59.580  80.339  1.00 43.96           O  
-HETATM 3158  O   HOH A 733      49.109  90.446  93.489  1.00 36.28           O  
-HETATM 3159  O   HOH A 734      40.260  61.509  86.545  1.00 39.14           O  
-HETATM 3160  O   HOH A 735      30.668  92.804  98.965  1.00 20.56           O  
-HETATM 3161  O   HOH A 736      31.882  92.673 101.734  1.00 17.73           O  
-HETATM 3162  O   HOH A 737      33.935  87.287  97.829  1.00 27.25           O  
-HETATM 3163  O   HOH A 738      33.675  90.246  98.018  1.00 29.97           O  
-HETATM 3164  O   HOH A 739      34.423  87.086 100.274  1.00 41.31           O  
-HETATM 3165  O   HOH A 740      33.900  92.541  88.741  1.00 47.48           O  
-HETATM 3166  O   HOH A 741      44.347  88.733 100.642  1.00 25.80           O  
-HETATM 3167  O   HOH A 742      33.562  67.175  71.633  1.00 42.52           O  
-HETATM 3168  O   HOH A 743      17.641  90.042 111.371  1.00 34.33           O  
-HETATM 3169  O   HOH A 744      45.239  88.863  98.272  1.00 26.82           O  
-HETATM 3170  O   HOH A 745      45.353  91.443  97.653  1.00 29.40           O  
-HETATM 3171  O   HOH A 746      47.142  94.392 120.606  1.00 40.31           O  
-HETATM 3172  O   HOH A 747      50.475  73.414 100.247  1.00 38.98           O  
-HETATM 3173  O   HOH A 748       6.849 101.946  96.418  1.00 40.63           O  
-HETATM 3174  O   HOH A 749      59.983 104.204  97.931  1.00 39.56           O  
-HETATM 3175  O   HOH A 750      26.774  60.737  98.679  1.00 43.82           O  
-HETATM 3176  O   HOH A 751      32.921  85.295  92.036  1.00 29.81           O  
-HETATM 3177  O   HOH A 752      44.307  95.051 120.476  1.00 48.94           O  
-HETATM 3178  O   HOH A 753      40.641 102.081  87.442  1.00 31.82           O  
-HETATM 3179  O   HOH A 754      26.589  65.166  97.748  1.00 41.24           O  
-HETATM 3180  O   HOH A 755      43.537  74.574  75.021  1.00 39.83           O  
-HETATM 3181  O   HOH A 756      31.652  86.982  85.233  1.00 44.88           O  
-HETATM 3182  O   HOH A 757      48.852  82.794  86.479  1.00 41.39           O  
-HETATM 3183  O   HOH A 758      41.209 106.170  84.955  1.00 46.97           O  
-HETATM 3184  O   HOH A 759      58.500 100.876 114.117  1.00 39.51           O  
-HETATM 3185  O   HOH A 760      39.171 104.951  86.336  1.00 44.28           O  
-HETATM 3186  O   HOH A 761      19.615 106.994 104.745  1.00 38.14           O  
-HETATM 3187  O   HOH A 762      49.560  91.684 118.861  1.00 30.39           O  
-HETATM 3188  O   HOH A 763      44.873 104.221 117.399  1.00 34.45           O  
-HETATM 3189  O   HOH A 764      33.088 100.877 107.863  1.00 29.28           O  
-HETATM 3190  O   HOH A 765      56.278 109.653 104.660  1.00 42.76           O  
-HETATM 3191  O   HOH A 766      51.182  93.975 119.347  1.00 43.55           O  
-HETATM 3192  O   HOH A 767      30.484  87.454 108.080  1.00 34.62           O  
-HETATM 3193  O   HOH A 768      43.907  87.796 118.573  1.00 35.33           O  
-HETATM 3194  O   HOH A 769      39.631  99.657  87.574  1.00 32.32           O  
-HETATM 3195  O   HOH A 770      36.121  96.031  91.410  1.00 33.30           O  
-HETATM 3196  O   HOH A 771      28.328 101.837  86.779  1.00 47.03           O  
-HETATM 3197  O   HOH A 772      54.876  86.233 103.846  1.00 41.15           O  
-HETATM 3198  O   HOH A 773      59.347 104.717 101.626  1.00 32.08           O  
-HETATM 3199  O   HOH A 774      58.778 106.180 103.719  1.00 38.29           O  
-HETATM 3200  O   HOH A 775      26.850  79.481  86.259  1.00 41.02           O  
-HETATM 3201  O   HOH A 776      34.886  54.163  98.167  1.00 39.07           O  
-HETATM 3202  O   HOH A 777      49.771  84.136 107.280  1.00 31.40           O  
-HETATM 3203  O   HOH A 778      13.340 104.309  87.661  1.00 41.49           O  
-HETATM 3204  O   HOH A 779      44.039  68.580  74.664  1.00 41.94           O  
-HETATM 3205  O   HOH A 780      55.064  92.499 113.756  1.00 34.14           O  
-HETATM 3206  O   HOH A 781      26.869  92.934 110.984  1.00 33.05           O  
-HETATM 3207  O   HOH A 782      45.503  56.875  92.146  1.00 48.06           O  
-HETATM 3208  O   HOH A 783      53.521  83.896  97.630  1.00 43.11           O  
-HETATM 3209  O   HOH A 784      31.868  70.152  83.028  1.00 34.42           O  
-HETATM 3210  O   HOH A 785      27.659  69.963  89.982  1.00 37.38           O  
-HETATM 3211  O   HOH A 786      36.175  94.094  92.997  1.00 34.62           O  
-HETATM 3212  O   HOH A 787      35.055 105.993 109.154  1.00 37.49           O  
-HETATM 3213  O   HOH A 788      33.248  92.048  91.712  1.00 43.62           O  
-HETATM 3214  O   HOH A 789      27.146  75.401  92.497  1.00 29.36           O  
-HETATM 3215  O   HOH A 790      40.223  59.609  78.972  1.00 38.86           O  
-HETATM 3216  O   HOH A 791      48.762  74.697 102.709  1.00 43.66           O  
-HETATM 3217  O   HOH A 792      34.424  89.202 104.437  1.00 29.65           O  
-HETATM 3218  O   HOH A 793      60.962 100.116  97.972  1.00 32.06           O  
-HETATM 3219  O   HOH A 794      11.270  88.893  83.731  1.00 42.49           O  
-HETATM 3220  O   HOH A 795      29.347  86.371  84.614  1.00 46.88           O  
-HETATM 3221  O   HOH A 796      13.441  83.931  83.540  1.00 42.36           O  
-HETATM 3222  O   HOH A 797      40.143  92.923  93.626  1.00 36.86           O  
-HETATM 3223  O   HOH A 798      33.052  79.888 104.669  1.00 41.36           O  
-HETATM 3224  O   HOH A 799      40.187  94.544 116.463  1.00 35.99           O  
-HETATM 3225  O   HOH A 800      20.776 107.273  88.314  1.00 39.86           O  
-HETATM 3226  O   HOH A 801      41.889  76.267  76.295  1.00 41.23           O  
-HETATM 3227  O   HOH A 802      21.311 107.217  90.688  1.00 41.07           O  
-HETATM 3228  O   HOH A 803       8.205 107.094  94.136  1.00 47.65           O  
-HETATM 3229  O   HOH A 804      35.155  78.603 104.435  1.00 44.55           O  
-HETATM 3230  O   HOH A 805       7.512  95.833  92.904  1.00 42.30           O  
-HETATM 3231  O   HOH A 806      37.683  92.323 117.921  1.00 46.12           O  
-HETATM 3232  O   HOH A 807      32.865  62.144  85.919  1.00 23.55           O  
-HETATM 3233  O   HOH A 808      30.875  73.004 100.945  1.00 34.87           O  
-HETATM 3234  O   HOH A 809      29.228  73.215 102.974  1.00 37.07           O  
-HETATM 3235  O   HOH A 810      27.151  58.314  82.183  1.00 37.21           O  
-HETATM 3236  O   HOH A 811      29.233  78.779 105.528  1.00 39.50           O  
-HETATM 3237  O   HOH A 812      26.857  58.380  86.487  1.00 37.88           O  
-HETATM 3238  O   HOH A 813      20.772  63.070  95.517  1.00 40.99           O  
-HETATM 3239  O   HOH A 814      48.858  73.621 104.902  1.00 50.12           O  
-HETATM 3240  O   HOH A 815      28.834  98.043 114.590  1.00 44.74           O  
-HETATM 3241  O   HOH A 816      36.935  79.306 106.022  1.00 48.87           O  
-HETATM 3242  O   HOH A 817      25.231  99.370  80.983  1.00 36.56           O  
-HETATM 3243  O   HOH A 818      35.566  90.231  93.997  1.00 42.93           O  
-HETATM 3244  O   HOH A 819      31.692  82.549  81.301  1.00 31.76           O  
-HETATM 3245  O   HOH A 820      57.066 108.740 109.350  1.00 35.46           O  
-HETATM 3246  O   HOH A 821      30.442  91.626  85.892  1.00 43.17           O  
-HETATM 3247  O   HOH A 822      32.683  73.761 107.292  1.00 49.14           O  
-HETATM 3248  O   HOH A 823      52.326 107.052  87.334  1.00 44.14           O  
-HETATM 3249  O   HOH A 824      63.209  91.606 104.774  1.00 39.77           O  
-HETATM 3250  O   HOH A 825      30.163  78.688  82.045  1.00 40.19           O  
-HETATM 3251  O   HOH A 826      38.405 107.674 107.936  1.00 40.44           O  
-HETATM 3252  O   HOH A 827      39.910 111.544 108.260  1.00 53.26           O  
-HETATM 3253  O   HOH A 828      43.053  89.396  97.139  1.00 31.50           O  
-HETATM 3254  O   HOH A 829       6.398 100.499 104.423  1.00 30.46           O  
-HETATM 3255  O   HOH A 830      41.490  82.678 102.679  1.00 31.53           O  
-HETATM 3256  O   HOH A 831      39.102  98.443 116.546  1.00 37.32           O  
-HETATM 3257  O   HOH A 832       4.200 101.129 110.167  1.00 40.25           O  
-HETATM 3258  O   HOH A 833      41.900 109.818 100.316  1.00 48.68           O  
-HETATM 3259  O   HOH A 834      57.061  91.234 111.242  1.00 26.68           O  
-HETATM 3260  O   HOH A 835      54.075 109.162 108.858  1.00 33.98           O  
-HETATM 3261  O   HOH A 836       7.826  86.298  88.013  1.00 33.99           O  
-HETATM 3262  O   HOH A 837      58.299  93.606  96.712  1.00 42.76           O  
-HETATM 3263  O   HOH A 838      64.892  90.036 106.019  1.00 43.93           O  
-HETATM 3264  O   HOH A 839      41.425  52.487 101.980  1.00 43.04           O  
-HETATM 3265  O   HOH A 840      45.819  60.126 109.468  1.00 39.44           O  
-HETATM 3266  O   HOH A 841      36.221  86.672  89.723  1.00 46.47           O  
-HETATM 3267  O   HOH A 842       4.893  86.747 102.504  1.00 43.58           O  
-HETATM 3268  O   HOH A 843      54.061 110.309 106.734  1.00 48.81           O  
-HETATM 3269  O   HOH A 844      10.174  99.654  89.525  1.00 43.94           O  
-HETATM 3270  O   HOH A 845      43.767  69.274  70.339  1.00 54.74           O  
-HETATM 3271  O   HOH A 846      27.862 102.029  92.183  1.00 38.03           O  
-HETATM 3272  O   HOH A 847      56.922  87.373 108.115  1.00 44.13           O  
-HETATM 3273  O   HOH A 848      24.785  81.946 110.812  1.00 46.30           O  
-HETATM 3274  O   HOH A 849      29.806  82.915  86.733  1.00 38.46           O  
-HETATM 3275  O   HOH A 850      46.181 109.335 111.930  1.00 37.66           O  
-HETATM 3276  O   HOH A 851      28.925  83.508  82.073  1.00 40.99           O  
-HETATM 3277  O   HOH A 852      30.634  89.741  87.761  1.00 45.40           O  
-HETATM 3278  O   HOH A 853      32.533  84.409  84.846  1.00 41.59           O  
-HETATM 3279  O   HOH A 854      60.515  99.240 112.562  1.00 46.48           O  
-HETATM 3280  O   HOH A 855      39.669  58.968  86.183  1.00 47.05           O  
-HETATM 3281  O   HOH A 856      39.002  85.963  94.951  1.00 33.12           O  
-HETATM 3282  O   HOH A 857       7.799  81.604  87.132  1.00 39.33           O  
-HETATM 3283  O   HOH A 858       6.196  91.727 108.933  1.00 37.63           O  
-HETATM 3284  O   HOH A 859      53.232  71.942  99.254  1.00 49.37           O  
-HETATM 3285  O   HOH A 860      41.164  71.942  64.378  1.00 43.82           O  
-HETATM 3286  O   HOH A 861       5.557  82.175  91.250  1.00 40.36           O  
-HETATM 3287  O   HOH A 862      51.414  79.448  87.478  1.00 35.79           O  
-HETATM 3288  O   HOH A 863      51.742 101.265 119.096  1.00 39.59           O  
-HETATM 3289  O   HOH A 864      43.655 110.420  94.543  1.00 49.28           O  
-HETATM 3290  O   HOH A 865      41.797  88.350  94.006  1.00 29.99           O  
-HETATM 3291  O   HOH A 866       8.412  97.109  89.215  1.00 50.04           O  
-HETATM 3292  O   HOH A 867      60.540  89.756  98.620  1.00 47.98           O  
-HETATM 3293  O   HOH A 868      62.384  89.957 100.654  1.00 44.98           O  
-HETATM 3294  O   HOH A 869      25.610 104.013 111.434  1.00 39.78           O  
-HETATM 3295  O   HOH A 870      47.220  67.891  84.506  1.00 47.59           O  
-HETATM 3296  O   HOH A 871      24.348  61.676  97.987  1.00 47.23           O  
-HETATM 3297  O   HOH A 872      15.017  85.664  82.291  1.00 44.63           O  
-HETATM 3298  O   HOH A 873       6.213  88.785  95.672  1.00 38.52           O  
-HETATM 3299  O   HOH A 874      38.742  88.432  93.073  1.00 41.79           O  
-HETATM 3300  O   HOH A 875      29.471  97.148 109.649  1.00 40.62           O  
-HETATM 3301  O   HOH A 876      43.412 110.951 107.892  1.00 37.79           O  
-HETATM 3302  O   HOH A 877      17.856  91.482  85.200  1.00 34.48           O  
-HETATM 3303  O   HOH A 878      41.811 110.074 110.032  1.00 49.36           O  
-HETATM 3304  O   HOH A 879      31.164  93.070  87.938  1.00 42.92           O  
-HETATM 3305  O   HOH A 880      35.257 102.897  96.503  1.00 42.01           O  
-HETATM 3306  O   HOH A 881      21.924  83.032 112.631  1.00 44.51           O  
-HETATM 3307  O   HOH A 882      55.787  91.017  98.984  1.00 49.63           O  
-HETATM 3308  O   HOH A 883      53.114  84.502 110.794  1.00 50.70           O  
-HETATM 3309  O   HOH A 884      29.056  99.908  93.252  1.00 31.06           O  
-HETATM 3310  O   HOH A 885      22.658  79.601 108.444  1.00 45.80           O  
-HETATM 3311  O   HOH A 886      32.755  59.526  86.600  1.00 38.01           O  
-HETATM 3312  O   HOH A 887      46.544  75.729  76.179  1.00 51.12           O  
-HETATM 3313  O   HOH A 888      43.497 103.172 120.323  1.00 42.26           O  
-HETATM 3314  O   HOH A 889      13.708  86.035  79.759  1.00 48.21           O  
-HETATM 3315  O   HOH A 890      10.567 107.998  95.911  1.00 48.73           O  
-HETATM 3316  O   HOH A 891      36.493  58.718  91.879  1.00 48.07           O  
-HETATM 3317  O   HOH A 892      47.733  75.248  73.563  1.00 45.79           O  
-HETATM 3318  O   HOH A 893      55.433  87.182 113.993  1.00 50.67           O  
-HETATM 3319  O   HOH A 894      35.886  59.716  89.438  1.00 44.97           O  
-HETATM 3320  O   HOH A 895      23.956 108.399  91.429  1.00 51.46           O  
-HETATM 3321  O   HOH A 896      47.028  77.139  78.507  1.00 32.80           O  
-HETATM 3322  O   HOH A 897      30.511  91.209  90.154  1.00 43.39           O  
-HETATM 3323  O   HOH A 898      34.114  89.576 101.780  1.00 38.06           O  
-HETATM 3324  O   HOH A 899      33.886  86.930  87.103  1.00 46.94           O  
-HETATM 3325  O   HOH A 900       8.170 102.932 102.718  1.00 30.33           O  
-HETATM 3326  O   HOH A 901      27.580  80.909 109.125  1.00 39.59           O  
-HETATM 3327  O   HOH A 902      51.833  86.916 118.614  1.00 41.00           O  
-HETATM 3328  O   HOH A 903      48.202  77.078  71.712  1.00 44.15           O  
-HETATM 3329  O   HOH A 904      55.257 102.803 117.916  1.00 48.21           O  
-HETATM 3330  O   HOH A 905      10.040  96.398  91.333  1.00 30.62           O  
-HETATM 3331  O   HOH A 906      37.308  77.217  63.549  1.00 44.36           O  
-HETATM 3332  O   HOH A 907      29.395  71.616  99.367  1.00 42.91           O  
-HETATM 3333  O   HOH A 908      17.068  58.450  89.912  1.00 50.53           O  
-HETATM 3334  O   HOH A 909      28.650  75.662 102.800  1.00 43.13           O  
-HETATM 3335  O   HOH A 910      15.233  90.042 112.512  1.00 47.48           O  
-HETATM 3336  O   HOH A 911      11.482  98.240  91.323  1.00 38.52           O  
-HETATM 3337  O   HOH A 912      29.559  58.415  89.304  1.00 39.79           O  
-HETATM 3338  O   HOH A 913       7.598 103.742  98.214  1.00 37.66           O  
-HETATM 3339  O   HOH A 914      23.658  66.074  97.020  1.00 50.31           O  
-HETATM 3340  O   HOH A 915      30.766  59.322  95.117  1.00 44.51           O  
-HETATM 3341  O   HOH A 916      52.719  50.026  97.434  1.00 53.00           O  
-HETATM 3342  O   HOH A 917      39.473  94.490  90.872  1.00 45.36           O  
-HETATM 3343  O   HOH A 918      42.910  71.940  62.093  1.00 46.55           O  
-HETATM 3344  O   HOH A 919      19.708  92.587 108.772  1.00 30.75           O  
-HETATM 3345  O   HOH A 920      51.668  83.307 105.977  1.00 44.05           O  
-HETATM 3346  O   HOH A 921      15.568  74.176 106.116  1.00 39.57           O  
-HETATM 3347  O   HOH A 922       5.848  96.459  90.871  1.00 52.22           O  
-HETATM 3348  O   HOH A 923      52.837  86.017 114.528  1.00 46.43           O  
-HETATM 3349  O   HOH A 924      37.537  88.340  96.096  1.00 34.87           O  
-HETATM 3350  O   HOH A 925      53.170  89.149 115.898  1.00 32.21           O  
-HETATM 3351  O   HOH A 926      52.827  89.760  98.070  1.00 29.05           O  
-HETATM 3352  O   HOH A 927       7.477 102.966 109.505  1.00 42.50           O  
-HETATM 3353  O   HOH A 928      11.989  98.867  86.366  1.00 46.47           O  
-HETATM 3354  O   HOH A 929      58.690 107.593  99.181  1.00 42.14           O  
-HETATM 3355  O   HOH A 930      32.611 104.596 106.690  1.00 34.51           O  
-HETATM 3356  O   HOH A 931      27.083  94.384  84.569  1.00 40.64           O  
-HETATM 3357  O   HOH A 932      16.849  89.212  84.847  1.00 44.31           O  
-HETATM 3358  O   HOH A 933      28.131  96.210  85.911  1.00 43.80           O  
-HETATM 3359  O   HOH A 934      31.398  76.713  81.264  1.00 34.37           O  
-HETATM 3360  O   HOH A 935      36.652  58.446  84.191  1.00 39.37           O  
-HETATM 3361  O   HOH A 936      53.163  58.843  93.875  1.00 51.10           O  
-HETATM 3362  O   HOH A 937      35.700  87.357 103.172  1.00 46.20           O  
-HETATM 3363  O   HOH A 938      27.793  98.027  84.206  1.00 45.52           O  
-HETATM 3364  O   HOH A 939      58.277 108.690 106.784  1.00 49.17           O  
-HETATM 3365  O   HOH A 940      24.479  56.668  87.254  1.00 50.52           O  
-HETATM 3366  O   HOH A 941       6.795  86.137  97.959  1.00 45.08           O  
-HETATM 3367  O   HOH A 942      22.442 103.548 113.262  1.00 48.32           O  
-HETATM 3368  O   HOH A 943      49.520  97.608 119.687  1.00 38.98           O  
-HETATM 3369  O   HOH A 944      38.234  63.682 108.056  1.00 43.39           O  
-HETATM 3370  O   HOH A 945      23.660 105.410 111.598  1.00 45.74           O  
-HETATM 3371  O   HOH A 946      39.191  69.848  67.697  1.00 52.09           O  
-HETATM 3372  O   HOH A 947      47.931  97.420  92.281  1.00 43.66           O  
-HETATM 3373  O   HOH A 948      50.156 104.627  85.326  1.00 44.54           O  
-HETATM 3374  O   HOH A 949      57.857 102.424  95.897  1.00 46.39           O  
-HETATM 3375  O   HOH A 950      56.063  65.957 102.433  1.00 54.47           O  
-HETATM 3376  O   HOH A 951      58.033  99.311 116.467  1.00 55.34           O  
-HETATM 3377  O   HOH A 952      36.287 105.973 112.007  1.00 45.80           O  
-HETATM 3378  O   HOH A 953      43.666  72.270  76.305  1.00 40.47           O  
-HETATM 3379  O   HOH A 954      36.587  98.336  90.451  1.00 46.51           O  
-HETATM 3380  O   HOH A 955      38.822 109.716 106.084  1.00 52.41           O  
-HETATM 3381  O   HOH A 956      49.529 102.023 120.505  1.00 42.79           O  
-HETATM 3382  O   HOH A 957       7.981 105.748  96.261  1.00 49.62           O  
-HETATM 3383  O   HOH A 958      12.659 107.964  87.736  1.00 47.22           O  
-HETATM 3384  O   HOH A 959      52.545  81.889 111.027  1.00 49.62           O  
-HETATM 3385  O   HOH A 960      33.013  89.479 116.190  1.00 50.39           O  
-HETATM 3386  O   HOH A 961      33.931 102.489  91.290  1.00 46.53           O  
-HETATM 3387  O   HOH A 962      53.864  82.118  93.650  1.00 43.56           O  
-HETATM 3388  O   HOH A 963      39.644 103.198 122.090  1.00 55.93           O  
-HETATM 3389  O   HOH A 964      26.169  59.775 101.622  1.00 52.30           O  
-HETATM 3390  O   HOH A 965      17.182  77.366 109.184  1.00 51.13           O  
-HETATM 3391  O   HOH A 966      53.271  78.879  85.605  1.00 49.55           O  
-HETATM 3392  O   HOH A 967      21.803  90.048 113.847  1.00 50.48           O  
-HETATM 3393  O   HOH A 968      22.717  89.366 105.380  1.00 30.42           O  
-HETATM 3394  O   HOH A 969      25.289 102.160  91.142  1.00 39.24           O  
-HETATM 3395  O   HOH A 970      31.406  86.952 105.966  1.00 44.58           O  
-HETATM 3396  O   HOH A 971      25.115 103.580  84.325  1.00 54.66           O  
-HETATM 3397  O   HOH A 972      38.863  78.446  57.159  1.00 50.18           O  
-HETATM 3398  O   HOH A 973      41.489  64.466 113.655  1.00 49.11           O  
-HETATM 3399  O   HOH A 974      36.267  92.520  90.451  1.00 50.12           O  
-HETATM 3400  O   HOH A 975      22.821 104.372  84.187  1.00 44.91           O  
-HETATM 3401  O   HOH A 976      29.277  61.645  95.827  1.00 45.66           O  
-HETATM 3402  O   HOH A 977      17.631  57.932  82.648  1.00 50.32           O  
-HETATM 3403  O   HOH A 978      51.930  56.239  94.358  1.00 49.82           O  
-HETATM 3404  O   HOH A 979      37.032  96.195  87.885  1.00 51.98           O  
-HETATM 3405  O   HOH A 980       6.070  80.375  94.914  1.00 49.49           O  
-HETATM 3406  O   HOH A 981      55.273  87.350  97.806  1.00 53.45           O  
-HETATM 3407  O   HOH A 982       3.838  81.857  94.379  1.00 48.15           O  
-HETATM 3408  O   HOH A 983      40.298  59.807  89.551  1.00 49.99           O  
-HETATM 3409  O   HOH A 984      42.773  81.263 104.741  1.00 58.94           O  
-HETATM 3410  O   HOH A 985      28.295  97.168  81.671  1.00 49.54           O  
-HETATM 3411  O   HOH A 986       5.717  87.451  89.055  1.00 44.59           O  
-HETATM 3412  O   HOH A 987      40.249  65.591 110.683  1.00 44.91           O  
-HETATM 3413  O   HOH A 988      34.121  91.700 100.711  1.00 30.44           O  
-HETATM 3414  O   HOH A 989      30.309 106.849 109.117  1.00 46.76           O  
-HETATM 3415  O   HOH A 990      62.407  93.198 109.853  1.00 52.42           O  
-HETATM 3416  O   HOH A 991      40.797  63.784  72.950  1.00 38.27           O  
-HETATM 3417  O   HOH A 992      25.901 106.152 109.160  1.00 38.41           O  
-HETATM 3418  O   HOH A 993      43.701  60.462  86.889  1.00 46.37           O  
-HETATM 3419  O   HOH A 994      31.817  88.759  91.175  1.00 43.43           O  
-HETATM 3420  O   HOH A 995      15.615  86.731  78.149  1.00 44.40           O  
-HETATM 3421  O   HOH A 996      46.927  65.146  80.073  1.00 46.03           O  
-HETATM 3422  O   HOH A 997      35.225  88.508 114.906  1.00 38.62           O  
-HETATM 3423  O   HOH A 998      35.565 100.020 113.979  1.00 47.40           O  
-HETATM 3424  O   HOH A 999      52.403  77.018  90.074  1.00 46.27           O  
-HETATM 3425  O   HOH A1000      27.962 106.066 110.903  1.00 49.32           O  
-HETATM 3426  O   HOH A1001      39.019  87.791  89.571  1.00 44.66           O  
-HETATM 3427  O   HOH A1002      26.738  53.458  98.753  1.00 56.67           O  
-HETATM 3428  O   HOH A1003      53.539  72.929  89.203  1.00 46.97           O  
-HETATM 3429  O   HOH A1004      33.282 108.211 108.431  1.00 54.15           O  
-HETATM 3430  O   HOH A1005      39.690  80.036  55.355  1.00 46.29           O  
-HETATM 3431  O   HOH A1006      15.440  92.837 112.711  1.00 51.27           O  
-HETATM 3432  O   HOH A1007      39.801  90.604  95.229  1.00 41.04           O  
-HETATM 3433  O   HOH A1008      51.668  98.904 118.634  1.00 49.40           O  
-HETATM 3434  O   HOH A1009      13.819  80.922 111.954  1.00 55.86           O  
-HETATM 3435  O   HOH A1010       9.001  85.622 106.407  1.00 53.97           O  
-HETATM 3436  O   HOH A1011       9.352  87.826 106.552  1.00 41.81           O  
-HETATM 3437  O   HOH A1012      10.299  87.074 109.045  1.00 52.39           O  
-HETATM 3438  O   HOH A1013       7.613  80.946 106.603  1.00 42.92           O  
-HETATM 3439  O   HOH A1014       9.666  89.324 108.392  1.00 53.90           O  
-CONECT  124 2920                                                                
-CONECT  129 2920                                                                
-CONECT  594 2920                                                                
-CONECT  645 2920                                                                
-CONECT 1404 2924                                                                
-CONECT 1544 2922                                                                
-CONECT 1546 2922                                                                
-CONECT 1636 2921                                                                
-CONECT 1637 2921                                                                
-CONECT 1719 2923                                                                
-CONECT 1736 2923                                                                
-CONECT 1779 2923                                                                
-CONECT 1780 2923                                                                
-CONECT 1883 2921                                                                
-CONECT 2046 2925                                                                
-CONECT 2271 2921                                                                
-CONECT 2273 2921                                                                
-CONECT 2595 2925                                                                
-CONECT 2596 2868                                                                
-CONECT 2609 2925                                                                
-CONECT 2868 2596 2869 2879                                                      
-CONECT 2869 2868 2870 2876                                                      
-CONECT 2870 2869 2871 2877                                                      
-CONECT 2871 2870 2872 2878                                                      
-CONECT 2872 2871 2873 2879                                                      
-CONECT 2873 2872 2880                                                           
-CONECT 2874 2875 2876 2881                                                      
-CONECT 2875 2874                                                                
-CONECT 2876 2869 2874                                                           
-CONECT 2877 2870                                                                
-CONECT 2878 2871 2882                                                           
-CONECT 2879 2868 2872                                                           
-CONECT 2880 2873                                                                
-CONECT 2881 2874                                                                
-CONECT 2882 2878 2883 2893                                                      
-CONECT 2883 2882 2884 2890                                                      
-CONECT 2884 2883 2885 2891                                                      
-CONECT 2885 2884 2886 2892                                                      
-CONECT 2886 2885 2887 2893                                                      
-CONECT 2887 2886 2894                                                           
-CONECT 2888 2889 2890 2895                                                      
-CONECT 2889 2888                                                                
-CONECT 2890 2883 2888                                                           
-CONECT 2891 2884                                                                
-CONECT 2892 2885                                                                
-CONECT 2893 2882 2886                                                           
-CONECT 2894 2887                                                                
-CONECT 2895 2888                                                                
-CONECT 2896 2897                                                                
-CONECT 2897 2896 2898 2899 2900                                                 
-CONECT 2898 2897                                                                
-CONECT 2899 2897                                                                
-CONECT 2900 2897 2901                                                           
-CONECT 2901 2900 2902 2903                                                      
-CONECT 2902 2901                                                                
-CONECT 2903 2901                                                                
-CONECT 2904 2905                                                                
-CONECT 2905 2904 2906 2907 2908                                                 
-CONECT 2906 2905                                                                
-CONECT 2907 2905                                                                
-CONECT 2908 2905 2909                                                           
-CONECT 2909 2908 2910 2911                                                      
-CONECT 2910 2909                                                                
-CONECT 2911 2909                                                                
-CONECT 2912 2913                                                                
-CONECT 2913 2912 2914 2915 2916                                                 
-CONECT 2914 2913                                                                
-CONECT 2915 2913                                                                
-CONECT 2916 2913 2917                                                           
-CONECT 2917 2916 2918 2919                                                      
-CONECT 2918 2917                                                                
-CONECT 2919 2917                                                                
-CONECT 2920  124  129  594  645                                                 
-CONECT 2920 2926                                                                
-CONECT 2921 1636 1637 1883 2271                                                 
-CONECT 2921 2273 3156 3300                                                      
-CONECT 2922 1544 1546 2945 3006                                                 
-CONECT 2922 3046 3301                                                           
-CONECT 2923 1719 1736 1779 1780                                                 
-CONECT 2923 3085 3368 3433                                                      
-CONECT 2924 1404 3281 3290 3299                                                 
-CONECT 2924 3349 3432                                                           
-CONECT 2925 2046 2595 2609 3434                                                 
-CONECT 2926 2920                                                                
-CONECT 2945 2922                                                                
-CONECT 3006 2922                                                                
-CONECT 3046 2922                                                                
-CONECT 3085 2923                                                                
-CONECT 3156 2921                                                                
-CONECT 3281 2924                                                                
-CONECT 3290 2924                                                                
-CONECT 3299 2924                                                                
-CONECT 3300 2921                                                                
-CONECT 3301 2922                                                                
-CONECT 3349 2924                                                                
-CONECT 3368 2923                                                                
-CONECT 3432 2924                                                                
-CONECT 3433 2923                                                                
-CONECT 3434 2925                                                                
-MASTER      378    0   11   14   15    0    0    6 3413    1   99   29          
-END                                                                             
+HETATM 2926  O   HOH A 501      38.726  59.371  95.416  1.00 35.12           O
+HETATM 2927  O   HOH A 502      28.591  98.260 103.454  1.00 17.86           O
+HETATM 2928  O   HOH A 503      27.052  93.759  88.751  1.00 18.06           O
+HETATM 2929  O   HOH A 504      10.687  94.482  95.572  1.00 16.87           O
+HETATM 2930  O   HOH A 505      57.481 100.675 107.743  1.00 19.86           O
+HETATM 2931  O   HOH A 506      46.855 101.306 111.313  1.00 18.92           O
+HETATM 2932  O   HOH A 507      24.563  94.172  85.564  1.00 21.92           O
+HETATM 2933  O   HOH A 508      29.285  86.567  98.153  1.00 17.11           O
+HETATM 2934  O   HOH A 509      63.837  96.921  99.628  1.00 19.73           O
+HETATM 2935  O   HOH A 510      51.481  96.140 109.799  1.00 17.31           O
+HETATM 2936  O   HOH A 511      40.765  67.068  82.248  1.00 20.81           O
+HETATM 2937  O   HOH A 512      16.496  92.976  89.189  1.00 19.59           O
+HETATM 2938  O   HOH A 513      23.916  80.910  87.552  1.00 21.18           O
+HETATM 2939  O   HOH A 514      43.054  94.990 115.990  1.00 21.84           O
+HETATM 2940  O   HOH A 515      44.145  76.660  79.090  1.00 21.64           O
+HETATM 2941  O   HOH A 516      51.572  98.697 110.942  1.00 19.33           O
+HETATM 2942  O   HOH A 517      25.601  89.471  92.322  1.00 16.23           O
+HETATM 2943  O   HOH A 518      30.822  74.454  84.925  1.00 16.41           O
+HETATM 2944  O   HOH A 519       5.747  89.804  98.482  1.00 21.34           O
+HETATM 2945  O   HOH A 520      44.761 106.898 107.622  1.00 26.15           O
+HETATM 2946  O   HOH A 521      17.410  95.615  88.383  1.00 19.46           O
+HETATM 2947  O   HOH A 522      46.513 103.478 114.230  1.00 21.77           O
+HETATM 2948  O   HOH A 523      60.957  97.418  98.919  1.00 19.39           O
+HETATM 2949  O   HOH A 524      38.515  64.166  81.688  1.00 22.32           O
+HETATM 2950  O   HOH A 525      33.088  95.266 106.136  1.00 23.43           O
+HETATM 2951  O   HOH A 526      16.692  78.730  87.975  1.00 21.57           O
+HETATM 2952  O   HOH A 527      34.138  97.221  92.919  1.00 21.33           O
+HETATM 2953  O   HOH A 528      53.182  90.422 113.631  1.00 19.84           O
+HETATM 2954  O   HOH A 529      40.920  85.351  87.981  1.00 26.56           O
+HETATM 2955  O   HOH A 530      36.988  60.728 105.951  1.00 33.33           O
+HETATM 2956  O   HOH A 531      31.559  76.914  83.916  1.00 24.69           O
+HETATM 2957  O   HOH A 532      54.000  95.122 113.241  1.00 21.98           O
+HETATM 2958  O   HOH A 533      24.722 106.383  96.855  1.00 26.15           O
+HETATM 2959  O   HOH A 534      43.358 105.458 102.606  1.00 25.66           O
+HETATM 2960  O   HOH A 535      46.180  89.242  95.715  1.00 26.01           O
+HETATM 2961  O   HOH A 536      59.768  95.894  96.832  1.00 31.86           O
+HETATM 2962  O   HOH A 537      16.068  96.849  86.459  1.00 24.33           O
+HETATM 2963  O   HOH A 538      46.898  76.822  82.209  1.00 26.42           O
+HETATM 2964  O   HOH A 539      33.358  73.547  98.473  1.00 26.76           O
+HETATM 2965  O   HOH A 540      20.643  86.513  84.255  1.00 25.83           O
+HETATM 2966  O   HOH A 541      34.756 101.195  99.093  1.00 27.96           O
+HETATM 2967  O   HOH A 542      61.235  97.380 110.153  1.00 26.56           O
+HETATM 2968  O   HOH A 543      44.577  97.203 116.517  1.00 31.40           O
+HETATM 2969  O   HOH A 544      32.218  98.233  91.064  1.00 27.37           O
+HETATM 2970  O   HOH A 545      39.452 105.773 111.533  1.00 25.92           O
+HETATM 2971  O   HOH A 546      25.934  96.682 109.378  1.00 25.98           O
+HETATM 2972  O   HOH A 547      38.485 104.148  97.718  1.00 29.69           O
+HETATM 2973  O   HOH A 548      35.968  98.852  99.723  1.00 20.81           O
+HETATM 2974  O   HOH A 549       9.116  83.061  98.922  1.00 23.47           O
+HETATM 2975  O   HOH A 550      29.960  95.104  91.597  1.00 18.04           O
+HETATM 2976  O   HOH A 551      26.912  62.430  94.807  1.00 26.24           O
+HETATM 2977  O   HOH A 552      32.857  97.000 108.528  1.00 26.25           O
+HETATM 2978  O   HOH A 553      34.611  80.521  99.003  1.00 28.25           O
+HETATM 2979  O   HOH A 554      29.568  97.766  91.707  1.00 26.61           O
+HETATM 2980  O   HOH A 555      26.496  67.711  90.553  1.00 24.64           O
+HETATM 2981  O   HOH A 556      55.093 101.592  96.417  1.00 28.78           O
+HETATM 2982  O   HOH A 557       7.733  91.941  90.321  1.00 25.57           O
+HETATM 2983  O   HOH A 558      24.040  78.829  89.395  1.00 29.85           O
+HETATM 2984  O   HOH A 559      20.023 107.769  97.490  1.00 33.24           O
+HETATM 2985  O   HOH A 560      10.424  81.184  86.690  1.00 25.15           O
+HETATM 2986  O   HOH A 561      36.511  76.934  73.571  1.00 32.01           O
+HETATM 2987  O   HOH A 562      25.367  84.417 110.905  1.00 37.42           O
+HETATM 2988  O   HOH A 563      54.234 106.360 111.744  1.00 33.77           O
+HETATM 2989  O   HOH A 564      46.949  84.063  88.165  1.00 24.82           O
+HETATM 2990  O   HOH A 565      30.820  89.748  98.770  1.00 26.04           O
+HETATM 2991  O   HOH A 566      61.465  99.886 108.579  1.00 27.81           O
+HETATM 2992  O   HOH A 567      28.034  70.467  92.961  1.00 30.89           O
+HETATM 2993  O   HOH A 568      62.650  98.731 106.378  1.00 25.50           O
+HETATM 2994  O   HOH A 569      49.445 103.849 117.775  1.00 31.12           O
+HETATM 2995  O   HOH A 570      34.498  71.651  75.217  1.00 31.37           O
+HETATM 2996  O   HOH A 571      29.974  75.236  99.920  1.00 29.80           O
+HETATM 2997  O   HOH A 572      30.223  88.380 104.266  1.00 31.17           O
+HETATM 2998  O   HOH A 573      39.241  98.912  90.145  1.00 29.40           O
+HETATM 2999  O   HOH A 574      30.608  95.481  88.972  1.00 23.89           O
+HETATM 3000  O   HOH A 575      34.456  68.453  73.923  1.00 25.81           O
+HETATM 3001  O   HOH A 576      32.615  96.932  88.942  1.00 33.04           O
+HETATM 3002  O   HOH A 577      35.125  74.341  71.198  1.00 35.23           O
+HETATM 3003  O   HOH A 578      43.556 108.082 110.017  1.00 32.25           O
+HETATM 3004  O   HOH A 579      30.913  91.216 103.947  1.00 28.72           O
+HETATM 3005  O   HOH A 580      41.922  68.940  72.412  1.00 36.49           O
+HETATM 3006  O   HOH A 581      42.151 107.836 106.231  1.00 32.49           O
+HETATM 3007  O   HOH A 582      45.021  67.657  88.066  1.00 26.27           O
+HETATM 3008  O   HOH A 583      44.272  87.397  93.946  1.00 28.41           O
+HETATM 3009  O   HOH A 584      25.196  77.568  93.111  1.00 34.24           O
+HETATM 3010  O   HOH A 585      31.185  75.052  97.414  1.00 27.98           O
+HETATM 3011  O   HOH A 586      58.293  90.744  99.746  1.00 37.02           O
+HETATM 3012  O   HOH A 587      38.791  61.193 107.791  1.00 34.87           O
+HETATM 3013  O   HOH A 588      28.972  81.630 106.462  1.00 29.32           O
+HETATM 3014  O   HOH A 589      45.470  70.450  85.941  1.00 25.06           O
+HETATM 3015  O   HOH A 590      18.182  57.824  92.071  1.00 34.91           O
+HETATM 3016  O   HOH A 591      35.778  75.353  66.787  1.00 34.92           O
+HETATM 3017  O   HOH A 592       7.868  93.169  93.516  1.00 27.54           O
+HETATM 3018  O   HOH A 593      21.485  80.970 106.143  1.00 31.52           O
+HETATM 3019  O   HOH A 594      25.386  79.559  91.392  1.00 28.01           O
+HETATM 3020  O   HOH A 595      10.864 103.104  88.351  1.00 41.39           O
+HETATM 3021  O   HOH A 596      18.293  79.089 102.851  1.00 31.66           O
+HETATM 3022  O   HOH A 597      27.600  73.562  88.185  1.00 25.32           O
+HETATM 3023  O   HOH A 598      19.703 106.593  92.832  1.00 33.35           O
+HETATM 3024  O   HOH A 599      49.261  64.625  88.025  1.00 37.11           O
+HETATM 3025  O   HOH A 600      54.609 104.067 113.464  1.00 30.99           O
+HETATM 3026  O   HOH A 601      48.332  78.538  80.456  1.00 28.14           O
+HETATM 3027  O   HOH A 602      37.466  84.620  92.075  1.00 32.71           O
+HETATM 3028  O   HOH A 603      55.703  88.436 105.552  1.00 30.07           O
+HETATM 3029  O   HOH A 604      27.110  82.412  88.240  1.00 27.87           O
+HETATM 3030  O   HOH A 605      34.976 101.728 105.869  1.00 28.13           O
+HETATM 3031  O   HOH A 606      33.687  95.038  90.237  1.00 32.90           O
+HETATM 3032  O   HOH A 607       8.904 103.138  92.499  1.00 37.95           O
+HETATM 3033  O   HOH A 608      27.221  75.827  89.341  1.00 31.37           O
+HETATM 3034  O   HOH A 609      46.486  74.209  80.067  1.00 31.26           O
+HETATM 3035  O   HOH A 610      30.000  63.352  98.011  1.00 32.15           O
+HETATM 3036  O   HOH A 611      23.502 107.998 103.291  1.00 33.00           O
+HETATM 3037  O   HOH A 612      58.589 102.161 111.318  1.00 28.77           O
+HETATM 3038  O   HOH A 613       5.503  99.401  98.990  1.00 30.72           O
+HETATM 3039  O   HOH A 614      43.430  93.292 118.308  1.00 25.25           O
+HETATM 3040  O   HOH A 615      53.901  95.556 115.952  1.00 31.20           O
+HETATM 3041  O   HOH A 616      53.589  60.216  97.842  1.00 35.97           O
+HETATM 3042  O   HOH A 617      59.154  91.238 102.453  1.00 32.35           O
+HETATM 3043  O   HOH A 618      29.098  89.023  91.510  1.00 34.53           O
+HETATM 3044  O   HOH A 619      44.584  59.015  89.823  1.00 29.54           O
+HETATM 3045  O   HOH A 620      19.642  90.715 106.854  1.00 30.04           O
+HETATM 3046  O   HOH A 621      46.429 109.711 108.510  1.00 35.28           O
+HETATM 3047  O   HOH A 622      27.982  59.233  96.976  1.00 44.26           O
+HETATM 3048  O   HOH A 623      59.684 101.802 109.008  1.00 32.99           O
+HETATM 3049  O   HOH A 624      52.199  83.927  95.414  1.00 32.84           O
+HETATM 3050  O   HOH A 625      43.284 102.478  86.526  1.00 35.84           O
+HETATM 3051  O   HOH A 626      49.347  83.746  98.790  1.00 28.79           O
+HETATM 3052  O   HOH A 627      32.915  77.776  78.275  1.00 31.80           O
+HETATM 3053  O   HOH A 628      27.971 100.883  89.477  1.00 41.79           O
+HETATM 3054  O   HOH A 629       5.957  93.206  95.889  1.00 30.49           O
+HETATM 3055  O   HOH A 630      43.518  99.882  85.870  1.00 42.16           O
+HETATM 3056  O   HOH A 631      46.956 105.859 113.344  1.00 30.05           O
+HETATM 3057  O   HOH A 632      40.917  96.768  90.218  1.00 40.50           O
+HETATM 3058  O   HOH A 633      28.757  85.204  86.991  1.00 31.19           O
+HETATM 3059  O   HOH A 634      31.908  88.606 101.022  1.00 40.60           O
+HETATM 3060  O   HOH A 635      31.310  92.128 110.816  1.00 26.27           O
+HETATM 3061  O   HOH A 636      29.579  70.098  96.304  1.00 34.77           O
+HETATM 3062  O   HOH A 637      44.106  56.195 100.640  1.00 35.24           O
+HETATM 3063  O   HOH A 638      45.562  98.562  91.821  1.00 35.66           O
+HETATM 3064  O   HOH A 639      27.787  65.219  94.467  1.00 37.21           O
+HETATM 3065  O   HOH A 640      37.970 100.549 115.302  1.00 37.44           O
+HETATM 3066  O   HOH A 641      60.737 104.531 108.844  1.00 35.61           O
+HETATM 3067  O   HOH A 642      20.531 105.328  86.123  1.00 34.45           O
+HETATM 3068  O   HOH A 643      40.672 105.740  98.457  1.00 39.03           O
+HETATM 3069  O   HOH A 644      35.627  83.079  91.035  1.00 28.70           O
+HETATM 3070  O   HOH A 645      18.910  84.104  83.329  1.00 25.63           O
+HETATM 3071  O   HOH A 646      44.759  82.068 102.063  1.00 34.34           O
+HETATM 3072  O   HOH A 647      27.597  72.577  94.800  1.00 39.33           O
+HETATM 3073  O   HOH A 648      26.703  85.617  84.301  1.00 32.20           O
+HETATM 3074  O   HOH A 649      40.354  72.019  69.878  1.00 39.34           O
+HETATM 3075  O   HOH A 650      37.609  90.054 115.498  1.00 32.01           O
+HETATM 3076  O   HOH A 651      13.483 106.128 107.326  1.00 38.46           O
+HETATM 3077  O   HOH A 652      46.347  63.449  82.068  1.00 31.70           O
+HETATM 3078  O   HOH A 653      51.809  83.746  99.898  1.00 32.76           O
+HETATM 3079  O   HOH A 654      32.772  74.430 102.167  1.00 42.73           O
+HETATM 3080  O   HOH A 655      52.205  94.140  93.307  1.00 35.82           O
+HETATM 3081  O   HOH A 656      55.937  89.140 110.267  1.00 39.80           O
+HETATM 3082  O   HOH A 657      14.419  88.003  84.051  1.00 38.21           O
+HETATM 3083  O   HOH A 658      50.985  88.151  91.542  1.00 33.26           O
+HETATM 3084  O   HOH A 659      40.026  67.356  71.955  1.00 37.15           O
+HETATM 3085  O   HOH A 660      51.537  95.946 117.644  1.00 35.36           O
+HETATM 3086  O   HOH A 661       8.729  83.215 107.542  1.00 36.45           O
+HETATM 3087  O   HOH A 662      30.837  98.722  87.942  1.00 30.47           O
+HETATM 3088  O   HOH A 663      28.116  88.725  85.230  1.00 36.11           O
+HETATM 3089  O   HOH A 664      52.282  59.745 100.195  1.00 38.83           O
+HETATM 3090  O   HOH A 665      30.896  86.488 102.267  1.00 35.52           O
+HETATM 3091  O   HOH A 666      53.532 110.879 102.691  1.00 31.59           O
+HETATM 3092  O   HOH A 667      56.533 103.238 115.067  1.00 42.00           O
+HETATM 3093  O   HOH A 668      30.478  86.982  88.590  1.00 35.90           O
+HETATM 3094  O   HOH A 669      16.219 108.778  95.909  1.00 38.88           O
+HETATM 3095  O   HOH A 670      24.949  63.558  96.134  1.00 39.35           O
+HETATM 3096  O   HOH A 671      22.157 100.306  79.854  1.00 42.48           O
+HETATM 3097  O   HOH A 672      50.783 105.974 116.477  1.00 34.81           O
+HETATM 3098  O   HOH A 673      49.863  72.993  97.727  1.00 31.10           O
+HETATM 3099  O   HOH A 674      29.128  80.437  86.568  1.00 33.58           O
+HETATM 3100  O   HOH A 675      31.790  91.945 114.681  1.00 41.63           O
+HETATM 3101  O   HOH A 676      45.648  71.361  78.921  1.00 36.85           O
+HETATM 3102  O   HOH A 677      24.113 107.916 109.967  1.00 32.07           O
+HETATM 3103  O   HOH A 678      46.965  64.336  86.269  1.00 34.40           O
+HETATM 3104  O   HOH A 679      53.393 104.935 115.743  1.00 38.63           O
+HETATM 3105  O   HOH A 680      17.480 108.281  98.092  1.00 34.04           O
+HETATM 3106  O   HOH A 681      60.943 102.467  99.444  1.00 32.96           O
+HETATM 3107  O   HOH A 682      31.505  95.306 109.811  1.00 35.06           O
+HETATM 3108  O   HOH A 683      29.277  72.904  96.624  1.00 40.80           O
+HETATM 3109  O   HOH A 684      37.981  95.708 115.557  1.00 37.30           O
+HETATM 3110  O   HOH A 685      13.663 106.350  89.600  1.00 41.38           O
+HETATM 3111  O   HOH A 686      25.808  73.233  93.118  1.00 37.50           O
+HETATM 3112  O   HOH A 687      28.217  92.015  87.307  1.00 30.37           O
+HETATM 3113  O   HOH A 688      10.128  83.590  85.053  1.00 31.13           O
+HETATM 3114  O   HOH A 689      60.580 106.021 106.540  1.00 41.27           O
+HETATM 3115  O   HOH A 690      31.855  83.199  87.990  1.00 34.71           O
+HETATM 3116  O   HOH A 691      34.871  84.995 101.841  1.00 42.54           O
+HETATM 3117  O   HOH A 692      15.102  99.142  83.046  1.00 41.00           O
+HETATM 3118  O   HOH A 693      20.961  78.629 105.291  1.00 38.74           O
+HETATM 3119  O   HOH A 694      27.909  97.538 111.818  1.00 41.29           O
+HETATM 3120  O   HOH A 695      44.985  97.207 119.077  1.00 35.70           O
+HETATM 3121  O   HOH A 696      41.405  71.630  72.276  1.00 37.19           O
+HETATM 3122  O   HOH A 697      29.253  58.263  93.106  1.00 42.21           O
+HETATM 3123  O   HOH A 698      25.974  71.576  88.636  1.00 35.57           O
+HETATM 3124  O   HOH A 699      47.712  64.541  83.829  1.00 38.22           O
+HETATM 3125  O   HOH A 700      43.391  73.650  72.445  1.00 44.05           O
+HETATM 3126  O   HOH A 701      35.073  77.516  65.119  1.00 38.44           O
+HETATM 3127  O   HOH A 702      40.854 107.376 108.508  1.00 40.10           O
+HETATM 3128  O   HOH A 703      47.940  82.323 100.495  1.00 35.17           O
+HETATM 3129  O   HOH A 704      40.527 103.991 113.943  1.00 36.20           O
+HETATM 3130  O   HOH A 705      50.020  70.771  85.717  1.00 42.76           O
+HETATM 3131  O   HOH A 706      40.281 108.133 102.142  1.00 42.68           O
+HETATM 3132  O   HOH A 707      53.898  88.654 111.866  1.00 36.54           O
+HETATM 3133  O   HOH A 708      20.551 107.931  94.991  1.00 39.90           O
+HETATM 3134  O   HOH A 709      19.437  91.496 112.811  1.00 39.29           O
+HETATM 3135  O   HOH A 710      14.357 104.153  83.659  1.00 37.00           O
+HETATM 3136  O   HOH A 711      50.841 113.396  96.613  1.00 43.98           O
+HETATM 3137  O   HOH A 712      26.941  58.415  94.741  1.00 40.54           O
+HETATM 3138  O   HOH A 713       8.172  94.516  89.727  1.00 39.10           O
+HETATM 3139  O   HOH A 714      11.878 110.329 101.478  1.00 38.99           O
+HETATM 3140  O   HOH A 715      38.226  60.183  88.189  1.00 43.57           O
+HETATM 3141  O   HOH A 716      53.763 107.619 115.855  1.00 42.96           O
+HETATM 3142  O   HOH A 717      54.375  66.562 100.245  1.00 40.87           O
+HETATM 3143  O   HOH A 718      17.713 108.057  93.127  1.00 38.33           O
+HETATM 3144  O   HOH A 719      31.195  72.549  83.056  1.00 22.08           O
+HETATM 3145  O   HOH A 720      28.205  74.142  85.730  1.00 22.91           O
+HETATM 3146  O   HOH A 721      51.206  81.164  82.754  1.00 36.60           O
+HETATM 3147  O   HOH A 722      43.454  97.019  91.623  1.00 41.25           O
+HETATM 3148  O   HOH A 723      58.067  88.955 103.474  1.00 39.66           O
+HETATM 3149  O   HOH A 724      47.621 111.970 107.172  1.00 41.55           O
+HETATM 3150  O   HOH A 725      56.046  65.118  93.070  1.00 43.18           O
+HETATM 3151  O   HOH A 726      32.783  64.138 101.543  1.00 31.17           O
+HETATM 3152  O   HOH A 727      31.427 106.255 104.097  1.00 31.04           O
+HETATM 3153  O   HOH A 728      34.100  81.763 101.258  1.00 39.01           O
+HETATM 3154  O   HOH A 729      63.543 102.235 100.680  1.00 40.67           O
+HETATM 3155  O   HOH A 730      52.039  72.238  96.910  1.00 40.03           O
+HETATM 3156  O   HOH A 731      30.751  99.244 110.851  1.00 38.39           O
+HETATM 3157  O   HOH A 732      42.377  59.580  80.339  1.00 43.96           O
+HETATM 3158  O   HOH A 733      49.109  90.446  93.489  1.00 36.28           O
+HETATM 3159  O   HOH A 734      40.260  61.509  86.545  1.00 39.14           O
+HETATM 3160  O   HOH A 735      30.668  92.804  98.965  1.00 20.56           O
+HETATM 3161  O   HOH A 736      31.882  92.673 101.734  1.00 17.73           O
+HETATM 3162  O   HOH A 737      33.935  87.287  97.829  1.00 27.25           O
+HETATM 3163  O   HOH A 738      33.675  90.246  98.018  1.00 29.97           O
+HETATM 3164  O   HOH A 739      34.423  87.086 100.274  1.00 41.31           O
+HETATM 3165  O   HOH A 740      33.900  92.541  88.741  1.00 47.48           O
+HETATM 3166  O   HOH A 741      44.347  88.733 100.642  1.00 25.80           O
+HETATM 3167  O   HOH A 742      33.562  67.175  71.633  1.00 42.52           O
+HETATM 3168  O   HOH A 743      17.641  90.042 111.371  1.00 34.33           O
+HETATM 3169  O   HOH A 744      45.239  88.863  98.272  1.00 26.82           O
+HETATM 3170  O   HOH A 745      45.353  91.443  97.653  1.00 29.40           O
+HETATM 3171  O   HOH A 746      47.142  94.392 120.606  1.00 40.31           O
+HETATM 3172  O   HOH A 747      50.475  73.414 100.247  1.00 38.98           O
+HETATM 3173  O   HOH A 748       6.849 101.946  96.418  1.00 40.63           O
+HETATM 3174  O   HOH A 749      59.983 104.204  97.931  1.00 39.56           O
+HETATM 3175  O   HOH A 750      26.774  60.737  98.679  1.00 43.82           O
+HETATM 3176  O   HOH A 751      32.921  85.295  92.036  1.00 29.81           O
+HETATM 3177  O   HOH A 752      44.307  95.051 120.476  1.00 48.94           O
+HETATM 3178  O   HOH A 753      40.641 102.081  87.442  1.00 31.82           O
+HETATM 3179  O   HOH A 754      26.589  65.166  97.748  1.00 41.24           O
+HETATM 3180  O   HOH A 755      43.537  74.574  75.021  1.00 39.83           O
+HETATM 3181  O   HOH A 756      31.652  86.982  85.233  1.00 44.88           O
+HETATM 3182  O   HOH A 757      48.852  82.794  86.479  1.00 41.39           O
+HETATM 3183  O   HOH A 758      41.209 106.170  84.955  1.00 46.97           O
+HETATM 3184  O   HOH A 759      58.500 100.876 114.117  1.00 39.51           O
+HETATM 3185  O   HOH A 760      39.171 104.951  86.336  1.00 44.28           O
+HETATM 3186  O   HOH A 761      19.615 106.994 104.745  1.00 38.14           O
+HETATM 3187  O   HOH A 762      49.560  91.684 118.861  1.00 30.39           O
+HETATM 3188  O   HOH A 763      44.873 104.221 117.399  1.00 34.45           O
+HETATM 3189  O   HOH A 764      33.088 100.877 107.863  1.00 29.28           O
+HETATM 3190  O   HOH A 765      56.278 109.653 104.660  1.00 42.76           O
+HETATM 3191  O   HOH A 766      51.182  93.975 119.347  1.00 43.55           O
+HETATM 3192  O   HOH A 767      30.484  87.454 108.080  1.00 34.62           O
+HETATM 3193  O   HOH A 768      43.907  87.796 118.573  1.00 35.33           O
+HETATM 3194  O   HOH A 769      39.631  99.657  87.574  1.00 32.32           O
+HETATM 3195  O   HOH A 770      36.121  96.031  91.410  1.00 33.30           O
+HETATM 3196  O   HOH A 771      28.328 101.837  86.779  1.00 47.03           O
+HETATM 3197  O   HOH A 772      54.876  86.233 103.846  1.00 41.15           O
+HETATM 3198  O   HOH A 773      59.347 104.717 101.626  1.00 32.08           O
+HETATM 3199  O   HOH A 774      58.778 106.180 103.719  1.00 38.29           O
+HETATM 3200  O   HOH A 775      26.850  79.481  86.259  1.00 41.02           O
+HETATM 3201  O   HOH A 776      34.886  54.163  98.167  1.00 39.07           O
+HETATM 3202  O   HOH A 777      49.771  84.136 107.280  1.00 31.40           O
+HETATM 3203  O   HOH A 778      13.340 104.309  87.661  1.00 41.49           O
+HETATM 3204  O   HOH A 779      44.039  68.580  74.664  1.00 41.94           O
+HETATM 3205  O   HOH A 780      55.064  92.499 113.756  1.00 34.14           O
+HETATM 3206  O   HOH A 781      26.869  92.934 110.984  1.00 33.05           O
+HETATM 3207  O   HOH A 782      45.503  56.875  92.146  1.00 48.06           O
+HETATM 3208  O   HOH A 783      53.521  83.896  97.630  1.00 43.11           O
+HETATM 3209  O   HOH A 784      31.868  70.152  83.028  1.00 34.42           O
+HETATM 3210  O   HOH A 785      27.659  69.963  89.982  1.00 37.38           O
+HETATM 3211  O   HOH A 786      36.175  94.094  92.997  1.00 34.62           O
+HETATM 3212  O   HOH A 787      35.055 105.993 109.154  1.00 37.49           O
+HETATM 3213  O   HOH A 788      33.248  92.048  91.712  1.00 43.62           O
+HETATM 3214  O   HOH A 789      27.146  75.401  92.497  1.00 29.36           O
+HETATM 3215  O   HOH A 790      40.223  59.609  78.972  1.00 38.86           O
+HETATM 3216  O   HOH A 791      48.762  74.697 102.709  1.00 43.66           O
+HETATM 3217  O   HOH A 792      34.424  89.202 104.437  1.00 29.65           O
+HETATM 3218  O   HOH A 793      60.962 100.116  97.972  1.00 32.06           O
+HETATM 3219  O   HOH A 794      11.270  88.893  83.731  1.00 42.49           O
+HETATM 3220  O   HOH A 795      29.347  86.371  84.614  1.00 46.88           O
+HETATM 3221  O   HOH A 796      13.441  83.931  83.540  1.00 42.36           O
+HETATM 3222  O   HOH A 797      40.143  92.923  93.626  1.00 36.86           O
+HETATM 3223  O   HOH A 798      33.052  79.888 104.669  1.00 41.36           O
+HETATM 3224  O   HOH A 799      40.187  94.544 116.463  1.00 35.99           O
+HETATM 3225  O   HOH A 800      20.776 107.273  88.314  1.00 39.86           O
+HETATM 3226  O   HOH A 801      41.889  76.267  76.295  1.00 41.23           O
+HETATM 3227  O   HOH A 802      21.311 107.217  90.688  1.00 41.07           O
+HETATM 3228  O   HOH A 803       8.205 107.094  94.136  1.00 47.65           O
+HETATM 3229  O   HOH A 804      35.155  78.603 104.435  1.00 44.55           O
+HETATM 3230  O   HOH A 805       7.512  95.833  92.904  1.00 42.30           O
+HETATM 3231  O   HOH A 806      37.683  92.323 117.921  1.00 46.12           O
+HETATM 3232  O   HOH A 807      32.865  62.144  85.919  1.00 23.55           O
+HETATM 3233  O   HOH A 808      30.875  73.004 100.945  1.00 34.87           O
+HETATM 3234  O   HOH A 809      29.228  73.215 102.974  1.00 37.07           O
+HETATM 3235  O   HOH A 810      27.151  58.314  82.183  1.00 37.21           O
+HETATM 3236  O   HOH A 811      29.233  78.779 105.528  1.00 39.50           O
+HETATM 3237  O   HOH A 812      26.857  58.380  86.487  1.00 37.88           O
+HETATM 3238  O   HOH A 813      20.772  63.070  95.517  1.00 40.99           O
+HETATM 3239  O   HOH A 814      48.858  73.621 104.902  1.00 50.12           O
+HETATM 3240  O   HOH A 815      28.834  98.043 114.590  1.00 44.74           O
+HETATM 3241  O   HOH A 816      36.935  79.306 106.022  1.00 48.87           O
+HETATM 3242  O   HOH A 817      25.231  99.370  80.983  1.00 36.56           O
+HETATM 3243  O   HOH A 818      35.566  90.231  93.997  1.00 42.93           O
+HETATM 3244  O   HOH A 819      31.692  82.549  81.301  1.00 31.76           O
+HETATM 3245  O   HOH A 820      57.066 108.740 109.350  1.00 35.46           O
+HETATM 3246  O   HOH A 821      30.442  91.626  85.892  1.00 43.17           O
+HETATM 3247  O   HOH A 822      32.683  73.761 107.292  1.00 49.14           O
+HETATM 3248  O   HOH A 823      52.326 107.052  87.334  1.00 44.14           O
+HETATM 3249  O   HOH A 824      63.209  91.606 104.774  1.00 39.77           O
+HETATM 3250  O   HOH A 825      30.163  78.688  82.045  1.00 40.19           O
+HETATM 3251  O   HOH A 826      38.405 107.674 107.936  1.00 40.44           O
+HETATM 3252  O   HOH A 827      39.910 111.544 108.260  1.00 53.26           O
+HETATM 3253  O   HOH A 828      43.053  89.396  97.139  1.00 31.50           O
+HETATM 3254  O   HOH A 829       6.398 100.499 104.423  1.00 30.46           O
+HETATM 3255  O   HOH A 830      41.490  82.678 102.679  1.00 31.53           O
+HETATM 3256  O   HOH A 831      39.102  98.443 116.546  1.00 37.32           O
+HETATM 3257  O   HOH A 832       4.200 101.129 110.167  1.00 40.25           O
+HETATM 3258  O   HOH A 833      41.900 109.818 100.316  1.00 48.68           O
+HETATM 3259  O   HOH A 834      57.061  91.234 111.242  1.00 26.68           O
+HETATM 3260  O   HOH A 835      54.075 109.162 108.858  1.00 33.98           O
+HETATM 3261  O   HOH A 836       7.826  86.298  88.013  1.00 33.99           O
+HETATM 3262  O   HOH A 837      58.299  93.606  96.712  1.00 42.76           O
+HETATM 3263  O   HOH A 838      64.892  90.036 106.019  1.00 43.93           O
+HETATM 3264  O   HOH A 839      41.425  52.487 101.980  1.00 43.04           O
+HETATM 3265  O   HOH A 840      45.819  60.126 109.468  1.00 39.44           O
+HETATM 3266  O   HOH A 841      36.221  86.672  89.723  1.00 46.47           O
+HETATM 3267  O   HOH A 842       4.893  86.747 102.504  1.00 43.58           O
+HETATM 3268  O   HOH A 843      54.061 110.309 106.734  1.00 48.81           O
+HETATM 3269  O   HOH A 844      10.174  99.654  89.525  1.00 43.94           O
+HETATM 3270  O   HOH A 845      43.767  69.274  70.339  1.00 54.74           O
+HETATM 3271  O   HOH A 846      27.862 102.029  92.183  1.00 38.03           O
+HETATM 3272  O   HOH A 847      56.922  87.373 108.115  1.00 44.13           O
+HETATM 3273  O   HOH A 848      24.785  81.946 110.812  1.00 46.30           O
+HETATM 3274  O   HOH A 849      29.806  82.915  86.733  1.00 38.46           O
+HETATM 3275  O   HOH A 850      46.181 109.335 111.930  1.00 37.66           O
+HETATM 3276  O   HOH A 851      28.925  83.508  82.073  1.00 40.99           O
+HETATM 3277  O   HOH A 852      30.634  89.741  87.761  1.00 45.40           O
+HETATM 3278  O   HOH A 853      32.533  84.409  84.846  1.00 41.59           O
+HETATM 3279  O   HOH A 854      60.515  99.240 112.562  1.00 46.48           O
+HETATM 3280  O   HOH A 855      39.669  58.968  86.183  1.00 47.05           O
+HETATM 3281  O   HOH A 856      39.002  85.963  94.951  1.00 33.12           O
+HETATM 3282  O   HOH A 857       7.799  81.604  87.132  1.00 39.33           O
+HETATM 3283  O   HOH A 858       6.196  91.727 108.933  1.00 37.63           O
+HETATM 3284  O   HOH A 859      53.232  71.942  99.254  1.00 49.37           O
+HETATM 3285  O   HOH A 860      41.164  71.942  64.378  1.00 43.82           O
+HETATM 3286  O   HOH A 861       5.557  82.175  91.250  1.00 40.36           O
+HETATM 3287  O   HOH A 862      51.414  79.448  87.478  1.00 35.79           O
+HETATM 3288  O   HOH A 863      51.742 101.265 119.096  1.00 39.59           O
+HETATM 3289  O   HOH A 864      43.655 110.420  94.543  1.00 49.28           O
+HETATM 3290  O   HOH A 865      41.797  88.350  94.006  1.00 29.99           O
+HETATM 3291  O   HOH A 866       8.412  97.109  89.215  1.00 50.04           O
+HETATM 3292  O   HOH A 867      60.540  89.756  98.620  1.00 47.98           O
+HETATM 3293  O   HOH A 868      62.384  89.957 100.654  1.00 44.98           O
+HETATM 3294  O   HOH A 869      25.610 104.013 111.434  1.00 39.78           O
+HETATM 3295  O   HOH A 870      47.220  67.891  84.506  1.00 47.59           O
+HETATM 3296  O   HOH A 871      24.348  61.676  97.987  1.00 47.23           O
+HETATM 3297  O   HOH A 872      15.017  85.664  82.291  1.00 44.63           O
+HETATM 3298  O   HOH A 873       6.213  88.785  95.672  1.00 38.52           O
+HETATM 3299  O   HOH A 874      38.742  88.432  93.073  1.00 41.79           O
+HETATM 3300  O   HOH A 875      29.471  97.148 109.649  1.00 40.62           O
+HETATM 3301  O   HOH A 876      43.412 110.951 107.892  1.00 37.79           O
+HETATM 3302  O   HOH A 877      17.856  91.482  85.200  1.00 34.48           O
+HETATM 3303  O   HOH A 878      41.811 110.074 110.032  1.00 49.36           O
+HETATM 3304  O   HOH A 879      31.164  93.070  87.938  1.00 42.92           O
+HETATM 3305  O   HOH A 880      35.257 102.897  96.503  1.00 42.01           O
+HETATM 3306  O   HOH A 881      21.924  83.032 112.631  1.00 44.51           O
+HETATM 3307  O   HOH A 882      55.787  91.017  98.984  1.00 49.63           O
+HETATM 3308  O   HOH A 883      53.114  84.502 110.794  1.00 50.70           O
+HETATM 3309  O   HOH A 884      29.056  99.908  93.252  1.00 31.06           O
+HETATM 3310  O   HOH A 885      22.658  79.601 108.444  1.00 45.80           O
+HETATM 3311  O   HOH A 886      32.755  59.526  86.600  1.00 38.01           O
+HETATM 3312  O   HOH A 887      46.544  75.729  76.179  1.00 51.12           O
+HETATM 3313  O   HOH A 888      43.497 103.172 120.323  1.00 42.26           O
+HETATM 3314  O   HOH A 889      13.708  86.035  79.759  1.00 48.21           O
+HETATM 3315  O   HOH A 890      10.567 107.998  95.911  1.00 48.73           O
+HETATM 3316  O   HOH A 891      36.493  58.718  91.879  1.00 48.07           O
+HETATM 3317  O   HOH A 892      47.733  75.248  73.563  1.00 45.79           O
+HETATM 3318  O   HOH A 893      55.433  87.182 113.993  1.00 50.67           O
+HETATM 3319  O   HOH A 894      35.886  59.716  89.438  1.00 44.97           O
+HETATM 3320  O   HOH A 895      23.956 108.399  91.429  1.00 51.46           O
+HETATM 3321  O   HOH A 896      47.028  77.139  78.507  1.00 32.80           O
+HETATM 3322  O   HOH A 897      30.511  91.209  90.154  1.00 43.39           O
+HETATM 3323  O   HOH A 898      34.114  89.576 101.780  1.00 38.06           O
+HETATM 3324  O   HOH A 899      33.886  86.930  87.103  1.00 46.94           O
+HETATM 3325  O   HOH A 900       8.170 102.932 102.718  1.00 30.33           O
+HETATM 3326  O   HOH A 901      27.580  80.909 109.125  1.00 39.59           O
+HETATM 3327  O   HOH A 902      51.833  86.916 118.614  1.00 41.00           O
+HETATM 3328  O   HOH A 903      48.202  77.078  71.712  1.00 44.15           O
+HETATM 3329  O   HOH A 904      55.257 102.803 117.916  1.00 48.21           O
+HETATM 3330  O   HOH A 905      10.040  96.398  91.333  1.00 30.62           O
+HETATM 3331  O   HOH A 906      37.308  77.217  63.549  1.00 44.36           O
+HETATM 3332  O   HOH A 907      29.395  71.616  99.367  1.00 42.91           O
+HETATM 3333  O   HOH A 908      17.068  58.450  89.912  1.00 50.53           O
+HETATM 3334  O   HOH A 909      28.650  75.662 102.800  1.00 43.13           O
+HETATM 3335  O   HOH A 910      15.233  90.042 112.512  1.00 47.48           O
+HETATM 3336  O   HOH A 911      11.482  98.240  91.323  1.00 38.52           O
+HETATM 3337  O   HOH A 912      29.559  58.415  89.304  1.00 39.79           O
+HETATM 3338  O   HOH A 913       7.598 103.742  98.214  1.00 37.66           O
+HETATM 3339  O   HOH A 914      23.658  66.074  97.020  1.00 50.31           O
+HETATM 3340  O   HOH A 915      30.766  59.322  95.117  1.00 44.51           O
+HETATM 3341  O   HOH A 916      52.719  50.026  97.434  1.00 53.00           O
+HETATM 3342  O   HOH A 917      39.473  94.490  90.872  1.00 45.36           O
+HETATM 3343  O   HOH A 918      42.910  71.940  62.093  1.00 46.55           O
+HETATM 3344  O   HOH A 919      19.708  92.587 108.772  1.00 30.75           O
+HETATM 3345  O   HOH A 920      51.668  83.307 105.977  1.00 44.05           O
+HETATM 3346  O   HOH A 921      15.568  74.176 106.116  1.00 39.57           O
+HETATM 3347  O   HOH A 922       5.848  96.459  90.871  1.00 52.22           O
+HETATM 3348  O   HOH A 923      52.837  86.017 114.528  1.00 46.43           O
+HETATM 3349  O   HOH A 924      37.537  88.340  96.096  1.00 34.87           O
+HETATM 3350  O   HOH A 925      53.170  89.149 115.898  1.00 32.21           O
+HETATM 3351  O   HOH A 926      52.827  89.760  98.070  1.00 29.05           O
+HETATM 3352  O   HOH A 927       7.477 102.966 109.505  1.00 42.50           O
+HETATM 3353  O   HOH A 928      11.989  98.867  86.366  1.00 46.47           O
+HETATM 3354  O   HOH A 929      58.690 107.593  99.181  1.00 42.14           O
+HETATM 3355  O   HOH A 930      32.611 104.596 106.690  1.00 34.51           O
+HETATM 3356  O   HOH A 931      27.083  94.384  84.569  1.00 40.64           O
+HETATM 3357  O   HOH A 932      16.849  89.212  84.847  1.00 44.31           O
+HETATM 3358  O   HOH A 933      28.131  96.210  85.911  1.00 43.80           O
+HETATM 3359  O   HOH A 934      31.398  76.713  81.264  1.00 34.37           O
+HETATM 3360  O   HOH A 935      36.652  58.446  84.191  1.00 39.37           O
+HETATM 3361  O   HOH A 936      53.163  58.843  93.875  1.00 51.10           O
+HETATM 3362  O   HOH A 937      35.700  87.357 103.172  1.00 46.20           O
+HETATM 3363  O   HOH A 938      27.793  98.027  84.206  1.00 45.52           O
+HETATM 3364  O   HOH A 939      58.277 108.690 106.784  1.00 49.17           O
+HETATM 3365  O   HOH A 940      24.479  56.668  87.254  1.00 50.52           O
+HETATM 3366  O   HOH A 941       6.795  86.137  97.959  1.00 45.08           O
+HETATM 3367  O   HOH A 942      22.442 103.548 113.262  1.00 48.32           O
+HETATM 3368  O   HOH A 943      49.520  97.608 119.687  1.00 38.98           O
+HETATM 3369  O   HOH A 944      38.234  63.682 108.056  1.00 43.39           O
+HETATM 3370  O   HOH A 945      23.660 105.410 111.598  1.00 45.74           O
+HETATM 3371  O   HOH A 946      39.191  69.848  67.697  1.00 52.09           O
+HETATM 3372  O   HOH A 947      47.931  97.420  92.281  1.00 43.66           O
+HETATM 3373  O   HOH A 948      50.156 104.627  85.326  1.00 44.54           O
+HETATM 3374  O   HOH A 949      57.857 102.424  95.897  1.00 46.39           O
+HETATM 3375  O   HOH A 950      56.063  65.957 102.433  1.00 54.47           O
+HETATM 3376  O   HOH A 951      58.033  99.311 116.467  1.00 55.34           O
+HETATM 3377  O   HOH A 952      36.287 105.973 112.007  1.00 45.80           O
+HETATM 3378  O   HOH A 953      43.666  72.270  76.305  1.00 40.47           O
+HETATM 3379  O   HOH A 954      36.587  98.336  90.451  1.00 46.51           O
+HETATM 3380  O   HOH A 955      38.822 109.716 106.084  1.00 52.41           O
+HETATM 3381  O   HOH A 956      49.529 102.023 120.505  1.00 42.79           O
+HETATM 3382  O   HOH A 957       7.981 105.748  96.261  1.00 49.62           O
+HETATM 3383  O   HOH A 958      12.659 107.964  87.736  1.00 47.22           O
+HETATM 3384  O   HOH A 959      52.545  81.889 111.027  1.00 49.62           O
+HETATM 3385  O   HOH A 960      33.013  89.479 116.190  1.00 50.39           O
+HETATM 3386  O   HOH A 961      33.931 102.489  91.290  1.00 46.53           O
+HETATM 3387  O   HOH A 962      53.864  82.118  93.650  1.00 43.56           O
+HETATM 3388  O   HOH A 963      39.644 103.198 122.090  1.00 55.93           O
+HETATM 3389  O   HOH A 964      26.169  59.775 101.622  1.00 52.30           O
+HETATM 3390  O   HOH A 965      17.182  77.366 109.184  1.00 51.13           O
+HETATM 3391  O   HOH A 966      53.271  78.879  85.605  1.00 49.55           O
+HETATM 3392  O   HOH A 967      21.803  90.048 113.847  1.00 50.48           O
+HETATM 3393  O   HOH A 968      22.717  89.366 105.380  1.00 30.42           O
+HETATM 3394  O   HOH A 969      25.289 102.160  91.142  1.00 39.24           O
+HETATM 3395  O   HOH A 970      31.406  86.952 105.966  1.00 44.58           O
+HETATM 3396  O   HOH A 971      25.115 103.580  84.325  1.00 54.66           O
+HETATM 3397  O   HOH A 972      38.863  78.446  57.159  1.00 50.18           O
+HETATM 3398  O   HOH A 973      41.489  64.466 113.655  1.00 49.11           O
+HETATM 3399  O   HOH A 974      36.267  92.520  90.451  1.00 50.12           O
+HETATM 3400  O   HOH A 975      22.821 104.372  84.187  1.00 44.91           O
+HETATM 3401  O   HOH A 976      29.277  61.645  95.827  1.00 45.66           O
+HETATM 3402  O   HOH A 977      17.631  57.932  82.648  1.00 50.32           O
+HETATM 3403  O   HOH A 978      51.930  56.239  94.358  1.00 49.82           O
+HETATM 3404  O   HOH A 979      37.032  96.195  87.885  1.00 51.98           O
+HETATM 3405  O   HOH A 980       6.070  80.375  94.914  1.00 49.49           O
+HETATM 3406  O   HOH A 981      55.273  87.350  97.806  1.00 53.45           O
+HETATM 3407  O   HOH A 982       3.838  81.857  94.379  1.00 48.15           O
+HETATM 3408  O   HOH A 983      40.298  59.807  89.551  1.00 49.99           O
+HETATM 3409  O   HOH A 984      42.773  81.263 104.741  1.00 58.94           O
+HETATM 3410  O   HOH A 985      28.295  97.168  81.671  1.00 49.54           O
+HETATM 3411  O   HOH A 986       5.717  87.451  89.055  1.00 44.59           O
+HETATM 3412  O   HOH A 987      40.249  65.591 110.683  1.00 44.91           O
+HETATM 3413  O   HOH A 988      34.121  91.700 100.711  1.00 30.44           O
+HETATM 3414  O   HOH A 989      30.309 106.849 109.117  1.00 46.76           O
+HETATM 3415  O   HOH A 990      62.407  93.198 109.853  1.00 52.42           O
+HETATM 3416  O   HOH A 991      40.797  63.784  72.950  1.00 38.27           O
+HETATM 3417  O   HOH A 992      25.901 106.152 109.160  1.00 38.41           O
+HETATM 3418  O   HOH A 993      43.701  60.462  86.889  1.00 46.37           O
+HETATM 3419  O   HOH A 994      31.817  88.759  91.175  1.00 43.43           O
+HETATM 3420  O   HOH A 995      15.615  86.731  78.149  1.00 44.40           O
+HETATM 3421  O   HOH A 996      46.927  65.146  80.073  1.00 46.03           O
+HETATM 3422  O   HOH A 997      35.225  88.508 114.906  1.00 38.62           O
+HETATM 3423  O   HOH A 998      35.565 100.020 113.979  1.00 47.40           O
+HETATM 3424  O   HOH A 999      52.403  77.018  90.074  1.00 46.27           O
+HETATM 3425  O   HOH A1000      27.962 106.066 110.903  1.00 49.32           O
+HETATM 3426  O   HOH A1001      39.019  87.791  89.571  1.00 44.66           O
+HETATM 3427  O   HOH A1002      26.738  53.458  98.753  1.00 56.67           O
+HETATM 3428  O   HOH A1003      53.539  72.929  89.203  1.00 46.97           O
+HETATM 3429  O   HOH A1004      33.282 108.211 108.431  1.00 54.15           O
+HETATM 3430  O   HOH A1005      39.690  80.036  55.355  1.00 46.29           O
+HETATM 3431  O   HOH A1006      15.440  92.837 112.711  1.00 51.27           O
+HETATM 3432  O   HOH A1007      39.801  90.604  95.229  1.00 41.04           O
+HETATM 3433  O   HOH A1008      51.668  98.904 118.634  1.00 49.40           O
+HETATM 3434  O   HOH A1009      13.819  80.922 111.954  1.00 55.86           O
+HETATM 3435  O   HOH A1010       9.001  85.622 106.407  1.00 53.97           O
+HETATM 3436  O   HOH A1011       9.352  87.826 106.552  1.00 41.81           O
+HETATM 3437  O   HOH A1012      10.299  87.074 109.045  1.00 52.39           O
+HETATM 3438  O   HOH A1013       7.613  80.946 106.603  1.00 42.92           O
+HETATM 3439  O   HOH A1014       9.666  89.324 108.392  1.00 53.90           O
+CONECT  124 2920
+CONECT  129 2920
+CONECT  594 2920
+CONECT  645 2920
+CONECT 1404 2924
+CONECT 1544 2922
+CONECT 1546 2922
+CONECT 1636 2921
+CONECT 1637 2921
+CONECT 1719 2923
+CONECT 1736 2923
+CONECT 1779 2923
+CONECT 1780 2923
+CONECT 1883 2921
+CONECT 2046 2925
+CONECT 2271 2921
+CONECT 2273 2921
+CONECT 2595 2925
+CONECT 2596 2868
+CONECT 2609 2925
+CONECT 2868 2596 2869 2879
+CONECT 2869 2868 2870 2876
+CONECT 2870 2869 2871 2877
+CONECT 2871 2870 2872 2878
+CONECT 2872 2871 2873 2879
+CONECT 2873 2872 2880
+CONECT 2874 2875 2876 2881
+CONECT 2875 2874
+CONECT 2876 2869 2874
+CONECT 2877 2870
+CONECT 2878 2871 2882
+CONECT 2879 2868 2872
+CONECT 2880 2873
+CONECT 2881 2874
+CONECT 2882 2878 2883 2893
+CONECT 2883 2882 2884 2890
+CONECT 2884 2883 2885 2891
+CONECT 2885 2884 2886 2892
+CONECT 2886 2885 2887 2893
+CONECT 2887 2886 2894
+CONECT 2888 2889 2890 2895
+CONECT 2889 2888
+CONECT 2890 2883 2888
+CONECT 2891 2884
+CONECT 2892 2885
+CONECT 2893 2882 2886
+CONECT 2894 2887
+CONECT 2895 2888
+CONECT 2896 2897
+CONECT 2897 2896 2898 2899 2900
+CONECT 2898 2897
+CONECT 2899 2897
+CONECT 2900 2897 2901
+CONECT 2901 2900 2902 2903
+CONECT 2902 2901
+CONECT 2903 2901
+CONECT 2904 2905
+CONECT 2905 2904 2906 2907 2908
+CONECT 2906 2905
+CONECT 2907 2905
+CONECT 2908 2905 2909
+CONECT 2909 2908 2910 2911
+CONECT 2910 2909
+CONECT 2911 2909
+CONECT 2912 2913
+CONECT 2913 2912 2914 2915 2916
+CONECT 2914 2913
+CONECT 2915 2913
+CONECT 2916 2913 2917
+CONECT 2917 2916 2918 2919
+CONECT 2918 2917
+CONECT 2919 2917
+CONECT 2920  124  129  594  645
+CONECT 2920 2926
+CONECT 2921 1636 1637 1883 2271
+CONECT 2921 2273 3156 3300
+CONECT 2922 1544 1546 2945 3006
+CONECT 2922 3046 3301
+CONECT 2923 1719 1736 1779 1780
+CONECT 2923 3085 3368 3433
+CONECT 2924 1404 3281 3290 3299
+CONECT 2924 3349 3432
+CONECT 2925 2046 2595 2609 3434
+CONECT 2926 2920
+CONECT 2945 2922
+CONECT 3006 2922
+CONECT 3046 2922
+CONECT 3085 2923
+CONECT 3156 2921
+CONECT 3281 2924
+CONECT 3290 2924
+CONECT 3299 2924
+CONECT 3300 2921
+CONECT 3301 2922
+CONECT 3349 2924
+CONECT 3368 2923
+CONECT 3432 2924
+CONECT 3433 2923
+CONECT 3434 2925
+MASTER      378    0   11   14   15    0    0    6 3413    1   99   29
+END
diff --git a/tests/protein_ligand/test_data/4hhb.pdb b/tests/protein_ligand/test_data/4hhb.pdb
index 74781d476..0803c47fb 100644
--- a/tests/protein_ligand/test_data/4hhb.pdb
+++ b/tests/protein_ligand/test_data/4hhb.pdb
@@ -1,5848 +1,5848 @@
-HEADER    OXYGEN TRANSPORT                        07-MAR-84   4HHB              
-TITLE     THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS     
-TITLE    2 RESOLUTION                                                           
-CAVEAT     4HHB    THR A 137 HAS WRONG CHIRALITY AT ATOM CB THR B 12 HAS WRONG  
-CAVEAT   2 4HHB    CHIRALITY AT ATOM CB THR B 50 HAS WRONG CHIRALITY AT ATOM    
-CAVEAT   3 4HHB    CB ASN C 78 HAS WRONG CHIRALITY AT ATOM CA THR C 118 HAS     
-CAVEAT   4 4HHB    WRONG CHIRALITY AT ATOM CB HIS D 2 HAS WRONG CHIRALITY AT    
-CAVEAT   5 4HHB    ATOM CA SER D 72 HAS WRONG CHIRALITY AT ATOM CA ASP D 73     
-CAVEAT   6 4HHB    HAS WRONG CHIRALITY AT ATOM CA LEU D 78 HAS WRONG CHIRALITY  
-CAVEAT   7 4HHB    AT ATOM CA LYS D 144 HAS WRONG CHIRALITY AT ATOM CA          
-COMPND    MOL_ID: 1;                                                            
-COMPND   2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA;                                  
-COMPND   3 CHAIN: A, C;                                                         
-COMPND   4 SYNONYM: ALPHA-GLOBIN,HEMOGLOBIN ALPHA CHAIN;                        
-COMPND   5 ENGINEERED: YES;                                                     
-COMPND   6 MOL_ID: 2;                                                           
-COMPND   7 MOLECULE: HEMOGLOBIN SUBUNIT BETA;                                   
-COMPND   8 CHAIN: B, D;                                                         
-COMPND   9 SYNONYM: BETA-GLOBIN,HEMOGLOBIN BETA CHAIN;                          
-COMPND  10 ENGINEERED: YES                                                      
-SOURCE    MOL_ID: 1;                                                            
-SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
-SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
-SOURCE   4 ORGANISM_TAXID: 9606;                                                
-SOURCE   5 GENE: HBA1, HBA2;                                                    
-SOURCE   6 MOL_ID: 2;                                                           
-SOURCE   7 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
-SOURCE   8 ORGANISM_COMMON: HUMAN;                                              
-SOURCE   9 ORGANISM_TAXID: 9606;                                                
-SOURCE  10 GENE: HBB                                                            
-KEYWDS    OXYGEN TRANSPORT                                                      
-EXPDTA    X-RAY DIFFRACTION                                                     
-AUTHOR    G.FERMI,M.F.PERUTZ                                                    
-REVDAT   6   17-JUN-20 4HHB    1       CAVEAT COMPND SOURCE DBREF               
-REVDAT   6 2                   1       ATOM                                     
-REVDAT   5   13-JUL-11 4HHB    1       VERSN                                    
-REVDAT   4   24-FEB-09 4HHB    1       VERSN                                    
-REVDAT   3   01-APR-03 4HHB    1       JRNL                                     
-REVDAT   2   15-OCT-89 4HHB    3       MTRIX                                    
-REVDAT   1   17-JUL-84 4HHB    0                                                
-SPRSDE     17-JUL-84 4HHB      1HHB                                             
-JRNL        AUTH   G.FERMI,M.F.PERUTZ,B.SHAANAN,R.FOURME                        
-JRNL        TITL   THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 A    
-JRNL        TITL 2 RESOLUTION                                                   
-JRNL        REF    J.MOL.BIOL.                   V. 175   159 1984              
-JRNL        REFN                   ISSN 0022-2836                               
-JRNL        PMID   6726807                                                      
-JRNL        DOI    10.1016/0022-2836(84)90472-8                                 
-REMARK   1                                                                      
-REMARK   1 REFERENCE 1                                                          
-REMARK   1  AUTH   M.F.PERUTZ,S.S.HASNAIN,P.J.DUKE,J.L.SESSLER,J.E.HAHN         
-REMARK   1  TITL   STEREOCHEMISTRY OF IRON IN DEOXYHAEMOGLOBIN                  
-REMARK   1  REF    NATURE                        V. 295   535 1982              
-REMARK   1  REFN                   ISSN 0028-0836                               
-REMARK   1 REFERENCE 2                                                          
-REMARK   1  AUTH   G.FERMI,M.F.PERUTZ                                           
-REMARK   1  REF    HAEMOGLOBIN AND MYOGLOBIN.    V.   2       1981              
-REMARK   1  REF  2 ATLAS OF MOLECULAR                                           
-REMARK   1  REF  3 STRUCTURES IN BIOLOGY                                        
-REMARK   1  PUBL   OXFORD UNIVERSITY PRESS                                      
-REMARK   1  REFN                                                                
-REMARK   1 REFERENCE 3                                                          
-REMARK   1  AUTH   M.F.PERUTZ                                                   
-REMARK   1  TITL   REGULATION OF OXYGEN AFFINITY OF HEMOGLOBIN. INFLUENCE OF    
-REMARK   1  TITL 2 STRUCTURE OF THE GLOBIN ON THE HEME IRON                     
-REMARK   1  REF    ANNU.REV.BIOCHEM.             V.  48   327 1979              
-REMARK   1  REFN                   ISSN 0066-4154                               
-REMARK   1 REFERENCE 4                                                          
-REMARK   1  AUTH   L.F.TENEYCK,A.ARNONE                                         
-REMARK   1  TITL   THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN DEOXYHEMOGLOBIN 
-REMARK   1  TITL 2 AT 2.5 ANGSTROMS RESOLUTION, I.X-RAY ANALYSIS                
-REMARK   1  REF    J.MOL.BIOL.                   V. 100     3 1976              
-REMARK   1  REFN                   ISSN 0022-2836                               
-REMARK   1 REFERENCE 5                                                          
-REMARK   1  AUTH   G.FERMI                                                      
-REMARK   1  TITL   THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN                 
-REMARK   1  TITL 2 DEOXYHAEMOGLOBIN AT 2.5 ANGSTROMS RESOLUTION, REFINEMENT OF  
-REMARK   1  TITL 3 THE ATOMIC MODEL                                             
-REMARK   1  REF    J.MOL.BIOL.                   V.  97   237 1975              
-REMARK   1  REFN                   ISSN 0022-2836                               
-REMARK   1 REFERENCE 6                                                          
-REMARK   1  AUTH   H.MUIRHEAD,J.GREER                                           
-REMARK   1  TITL   THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN                 
-REMARK   1  TITL 2 DEOXYHAEMOGLOBIN AT 3.5 ANGSTROMS RESOLUTION                 
-REMARK   1  REF    NATURE                        V. 228   516 1970              
-REMARK   1  REFN                   ISSN 0028-0836                               
-REMARK   1 REFERENCE 7                                                          
-REMARK   1  EDIT   M.O.DAYHOFF                                                  
-REMARK   1  REF    ATLAS OF PROTEIN SEQUENCE     V.   5    56 1972              
-REMARK   1  REF  2 AND STRUCTURE (DATA SECTION)                                 
-REMARK   1  PUBL   NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD.   
-REMARK   1  REFN                                                                
-REMARK   1 REFERENCE 8                                                          
-REMARK   1  EDIT   M.O.DAYHOFF                                                  
-REMARK   1  REF    ATLAS OF PROTEIN SEQUENCE     V.   5    64 1972              
-REMARK   1  REF  2 AND STRUCTURE (DATA SECTION)                                 
-REMARK   1  PUBL   NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD.   
-REMARK   1  REFN                                                                
-REMARK   2                                                                      
-REMARK   2 RESOLUTION.    1.74 ANGSTROMS.                                       
-REMARK   3                                                                      
-REMARK   3 REFINEMENT.                                                          
-REMARK   3   PROGRAM     : NULL                                                 
-REMARK   3   AUTHORS     : NULL                                                 
-REMARK   3                                                                      
-REMARK   3  DATA USED IN REFINEMENT.                                            
-REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.74                           
-REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : NULL                           
-REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
-REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
-REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
-REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : NULL                           
-REMARK   3   NUMBER OF REFLECTIONS             : NULL                           
-REMARK   3                                                                      
-REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
-REMARK   3   CROSS-VALIDATION METHOD          : NULL                            
-REMARK   3   FREE R VALUE TEST SET SELECTION  : NULL                            
-REMARK   3   R VALUE            (WORKING SET) : 0.135                           
-REMARK   3   FREE R VALUE                     : NULL                            
-REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
-REMARK   3   FREE R VALUE TEST SET COUNT      : NULL                            
-REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
-REMARK   3                                                                      
-REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
-REMARK   3   TOTAL NUMBER OF BINS USED           : NULL                         
-REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : NULL                         
-REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL                         
-REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
-REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
-REMARK   3   BIN R VALUE           (WORKING SET) : NULL                         
-REMARK   3   BIN FREE R VALUE                    : NULL                         
-REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
-REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
-REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
-REMARK   3                                                                      
-REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
-REMARK   3   PROTEIN ATOMS            : 4384                                    
-REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
-REMARK   3   HETEROGEN ATOMS          : 174                                     
-REMARK   3   SOLVENT ATOMS            : 221                                     
-REMARK   3                                                                      
-REMARK   3  B VALUES.                                                           
-REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
-REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
-REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
-REMARK   3    B11 (A**2) : NULL                                                 
-REMARK   3    B22 (A**2) : NULL                                                 
-REMARK   3    B33 (A**2) : NULL                                                 
-REMARK   3    B12 (A**2) : NULL                                                 
-REMARK   3    B13 (A**2) : NULL                                                 
-REMARK   3    B23 (A**2) : NULL                                                 
-REMARK   3                                                                      
-REMARK   3  ESTIMATED COORDINATE ERROR.                                         
-REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL                            
-REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
-REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
-REMARK   3                                                                      
-REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
-REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
-REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
-REMARK   3                                                                      
-REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
-REMARK   3   BOND LENGTHS                 (A) : NULL                            
-REMARK   3   BOND ANGLES            (DEGREES) : NULL                            
-REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL                            
-REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL                            
-REMARK   3                                                                      
-REMARK   3  ISOTROPIC THERMAL MODEL : NULL                                      
-REMARK   3                                                                      
-REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
-REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
-REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
-REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
-REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
-REMARK   3                                                                      
-REMARK   3  NCS MODEL : NULL                                                    
-REMARK   3                                                                      
-REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
-REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
-REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
-REMARK   3                                                                      
-REMARK   3  PARAMETER FILE  1  : NULL                                           
-REMARK   3  TOPOLOGY FILE  1   : NULL                                           
-REMARK   3                                                                      
-REMARK   3  OTHER REFINEMENT REMARKS:                                           
-REMARK   3  THE COORDINATES GIVEN HERE ARE IN THE ORTHOGONAL ANGSTROM           
-REMARK   3  SYSTEM STANDARD FOR HEMOGLOBINS. THE Y AXIS IS THE                  
-REMARK   3  (NON CRYSTALLOGRAPHIC) MOLECULAR DIAD AND THE X AXIS IS THE         
-REMARK   3  PSEUDO DIAD WHICH RELATES THE ALPHA-1 AND BETA-1 CHAINS.            
-REMARK   3  THE TRANSFORMATION GIVEN IN THE *MTRIX* RECORDS BELOW               
-REMARK   3  WILL GENERATE COORDINATES FOR THE *C* AND *D* CHAINS FROM           
-REMARK   3  THE *A* AND *B* CHAINS RESPECTIVELY.                                
-REMARK   4                                                                      
-REMARK   4 4HHB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
-REMARK 100                                                                      
-REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
-REMARK 100 THE DEPOSITION ID IS D_1000179340.                                   
-REMARK 200                                                                      
-REMARK 200 EXPERIMENTAL DETAILS                                                 
-REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
-REMARK 200  DATE OF DATA COLLECTION        : NULL                               
-REMARK 200  TEMPERATURE           (KELVIN) : NULL                               
-REMARK 200  PH                             : NULL                               
-REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
-REMARK 200                                                                      
-REMARK 200  SYNCHROTRON              (Y/N) : NULL                               
-REMARK 200  RADIATION SOURCE               : NULL                               
-REMARK 200  BEAMLINE                       : NULL                               
-REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
-REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : NULL                               
-REMARK 200  WAVELENGTH OR RANGE        (A) : NULL                               
-REMARK 200  MONOCHROMATOR                  : NULL                               
-REMARK 200  OPTICS                         : NULL                               
-REMARK 200                                                                      
-REMARK 200  DETECTOR TYPE                  : NULL                               
-REMARK 200  DETECTOR MANUFACTURER          : NULL                               
-REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
-REMARK 200  DATA SCALING SOFTWARE          : NULL                               
-REMARK 200                                                                      
-REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : NULL                               
-REMARK 200  RESOLUTION RANGE HIGH      (A) : NULL                               
-REMARK 200  RESOLUTION RANGE LOW       (A) : NULL                               
-REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
-REMARK 200                                                                      
-REMARK 200 OVERALL.                                                             
-REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
-REMARK 200  DATA REDUNDANCY                : NULL                               
-REMARK 200  R MERGE                    (I) : NULL                               
-REMARK 200  R SYM                      (I) : NULL                               
-REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
-REMARK 200                                                                      
-REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
-REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
-REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
-REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
-REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
-REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
-REMARK 200  R SYM FOR SHELL            (I) : NULL                               
-REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
-REMARK 200                                                                      
-REMARK 200 DIFFRACTION PROTOCOL: NULL                                           
-REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
-REMARK 200 SOFTWARE USED: NULL                                                  
-REMARK 200 STARTING MODEL: NULL                                                 
-REMARK 200                                                                      
-REMARK 200 REMARK: NULL                                                         
-REMARK 280                                                                      
-REMARK 280 CRYSTAL                                                              
-REMARK 280 SOLVENT CONTENT, VS   (%): 45.48                                     
-REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.26                     
-REMARK 280                                                                      
-REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
-REMARK 285                                                                      
-REMARK 285 THE ENTRY COORDINATES                                                
-REMARK 285 ARE NOT PRESENTED IN THE STANDARD CRYSTAL FRAME.                     
-REMARK 290                                                                      
-REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
-REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
-REMARK 290                                                                      
-REMARK 290      SYMOP   SYMMETRY                                                
-REMARK 290     NNNMMM   OPERATOR                                                
-REMARK 290       1555   X,Y,Z                                                   
-REMARK 290       2555   -X,Y+1/2,-Z                                             
-REMARK 290                                                                      
-REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
-REMARK 290           MMM -> TRANSLATION VECTOR                                  
-REMARK 290                                                                      
-REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
-REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
-REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
-REMARK 290 RELATED MOLECULES.                                                   
-REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 290   SMTRY1   2 -0.949456 -0.312801 -0.025883       -6.64347            
-REMARK 290   SMTRY2   2 -0.312858  0.936202  0.160212       41.12228            
-REMARK 290   SMTRY3   2 -0.025884  0.160188 -0.986745        3.40218            
-REMARK 290                                                                      
-REMARK 290 REMARK: NULL                                                         
-REMARK 300                                                                      
-REMARK 300 BIOMOLECULE: 1                                                       
-REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
-REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
-REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
-REMARK 300 BURIED SURFACE AREA.                                                 
-REMARK 350                                                                      
-REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
-REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
-REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
-REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
-REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
-REMARK 350                                                                      
-REMARK 350 BIOMOLECULE: 1                                                       
-REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
-REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
-REMARK 350 SOFTWARE USED: PISA                                                  
-REMARK 350 TOTAL BURIED SURFACE AREA: 11630 ANGSTROM**2                         
-REMARK 350 SURFACE AREA OF THE COMPLEX: 24010 ANGSTROM**2                       
-REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -98.0 KCAL/MOL                        
-REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D                            
-REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
-REMARK 500                                                                      
-REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
-REMARK 500                                                                      
-REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
-REMARK 500   C    VAL B     1     CA   HIS B     2              1.63            
-REMARK 500   C    PHE D    45     CA   GLY D    46              1.78            
-REMARK 500   CB   THR D     4     OE2  GLU D     6              2.00            
-REMARK 500   NZ   LYS D    66     O1A  HEM D   148              2.06            
-REMARK 500   OD2  ASP D    73     O    HOH D   174              2.10            
-REMARK 500   OG1  THR D     4     OE2  GLU D     6              2.19            
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
-REMARK 500                                                                      
-REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
-REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
-REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
-REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
-REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
-REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
-REMARK 500                                                                      
-REMARK 500 DISTANCE CUTOFF:                                                     
-REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
-REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
-REMARK 500                                                                      
-REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
-REMARK 500   OD2  ASP C    85     O    HOH B   204     2657     1.41            
-REMARK 500   O    HOH B   204     O    HOH C   161     2647     2.02            
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
-REMARK 500                                                                      
-REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
-REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
-REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
-REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
-REMARK 500                                                                      
-REMARK 500 STANDARD TABLE:                                                      
-REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
-REMARK 500                                                                      
-REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
-REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
-REMARK 500    VAL A   1   N     VAL A   1   CA     -0.295                       
-REMARK 500    VAL A   1   CA    VAL A   1   CB      0.299                       
-REMARK 500    VAL A   1   CB    VAL A   1   CG1    -0.206                       
-REMARK 500    VAL A   1   CB    VAL A   1   CG2    -0.283                       
-REMARK 500    LEU A   2   CA    LEU A   2   C       0.249                       
-REMARK 500    LEU A   2   C     SER A   3   N      -0.320                       
-REMARK 500    SER A   3   N     SER A   3   CA      0.167                       
-REMARK 500    SER A   3   CB    SER A   3   OG     -0.132                       
-REMARK 500    SER A   3   C     PRO A   4   N       0.282                       
-REMARK 500    PRO A   4   N     PRO A   4   CA     -0.149                       
-REMARK 500    PRO A   4   CA    PRO A   4   CB      0.202                       
-REMARK 500    PRO A   4   C     ALA A   5   N       0.257                       
-REMARK 500    ALA A   5   N     ALA A   5   CA     -0.130                       
-REMARK 500    ALA A   5   CA    ALA A   5   CB      0.247                       
-REMARK 500    LYS A   7   N     LYS A   7   CA      0.157                       
-REMARK 500    LYS A   7   C     THR A   8   N       0.258                       
-REMARK 500    THR A   8   CA    THR A   8   CB      0.178                       
-REMARK 500    THR A   8   CB    THR A   8   OG1    -0.173                       
-REMARK 500    THR A   8   CB    THR A   8   CG2    -0.245                       
-REMARK 500    THR A   8   CA    THR A   8   C      -0.174                       
-REMARK 500    THR A   8   C     ASN A   9   N       0.179                       
-REMARK 500    VAL A  10   CB    VAL A  10   CG2    -0.179                       
-REMARK 500    VAL A  10   CA    VAL A  10   C       0.160                       
-REMARK 500    LYS A  11   N     LYS A  11   CA      0.131                       
-REMARK 500    LYS A  11   CA    LYS A  11   CB     -0.137                       
-REMARK 500    LYS A  11   CB    LYS A  11   CG     -0.196                       
-REMARK 500    LYS A  11   CG    LYS A  11   CD     -0.206                       
-REMARK 500    LYS A  11   CD    LYS A  11   CE      0.454                       
-REMARK 500    ALA A  12   N     ALA A  12   CA     -0.133                       
-REMARK 500    ALA A  12   C     ALA A  12   O       0.225                       
-REMARK 500    ALA A  13   CA    ALA A  13   C       0.201                       
-REMARK 500    TRP A  14   CA    TRP A  14   CB      0.291                       
-REMARK 500    TRP A  14   CB    TRP A  14   CG     -0.274                       
-REMARK 500    TRP A  14   CG    TRP A  14   CD1     0.306                       
-REMARK 500    TRP A  14   CD1   TRP A  14   NE1     0.158                       
-REMARK 500    TRP A  14   NE1   TRP A  14   CE2    -0.234                       
-REMARK 500    TRP A  14   CE2   TRP A  14   CZ2    -0.243                       
-REMARK 500    TRP A  14   CE2   TRP A  14   CD2     0.221                       
-REMARK 500    TRP A  14   CH2   TRP A  14   CZ2    -0.217                       
-REMARK 500    GLY A  15   CA    GLY A  15   C       0.182                       
-REMARK 500    GLY A  15   C     GLY A  15   O       0.437                       
-REMARK 500    GLY A  15   C     LYS A  16   N      -0.418                       
-REMARK 500    LYS A  16   CB    LYS A  16   CG      0.164                       
-REMARK 500    LYS A  16   CG    LYS A  16   CD      0.488                       
-REMARK 500    LYS A  16   CD    LYS A  16   CE      0.410                       
-REMARK 500    LYS A  16   C     LYS A  16   O      -0.149                       
-REMARK 500    LYS A  16   C     VAL A  17   N       0.180                       
-REMARK 500    VAL A  17   N     VAL A  17   CA     -0.191                       
-REMARK 500    VAL A  17   CA    VAL A  17   CB     -0.168                       
-REMARK 500    VAL A  17   CA    VAL A  17   C       0.432                       
-REMARK 500                                                                      
-REMARK 500 THIS ENTRY HAS    1271 BOND DEVIATIONS.                              
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
-REMARK 500                                                                      
-REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
-REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
-REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
-REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
-REMARK 500                                                                      
-REMARK 500 STANDARD TABLE:                                                      
-REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
-REMARK 500                                                                      
-REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
-REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
-REMARK 500    VAL A   1   CG1 -  CB  -  CG2 ANGL. DEV. =  27.5 DEGREES          
-REMARK 500    VAL A   1   CA  -  CB  -  CG2 ANGL. DEV. = -25.9 DEGREES          
-REMARK 500    VAL A   1   CA  -  C   -  N   ANGL. DEV. = -13.3 DEGREES          
-REMARK 500    VAL A   1   O   -  C   -  N   ANGL. DEV. =  12.7 DEGREES          
-REMARK 500    LEU A   2   C   -  N   -  CA  ANGL. DEV. = -20.6 DEGREES          
-REMARK 500    LEU A   2   N   -  CA  -  CB  ANGL. DEV. = -17.9 DEGREES          
-REMARK 500    LEU A   2   CB  -  CG  -  CD1 ANGL. DEV. =  13.0 DEGREES          
-REMARK 500    LEU A   2   CA  -  C   -  O   ANGL. DEV. = -21.8 DEGREES          
-REMARK 500    LEU A   2   O   -  C   -  N   ANGL. DEV. =  30.2 DEGREES          
-REMARK 500    SER A   3   N   -  CA  -  CB  ANGL. DEV. =  -9.7 DEGREES          
-REMARK 500    SER A   3   CA  -  C   -  O   ANGL. DEV. =  15.9 DEGREES          
-REMARK 500    SER A   3   O   -  C   -  N   ANGL. DEV. = -14.6 DEGREES          
-REMARK 500    PRO A   4   C   -  N   -  CA  ANGL. DEV. = -14.1 DEGREES          
-REMARK 500    PRO A   4   C   -  N   -  CD  ANGL. DEV. = -18.4 DEGREES          
-REMARK 500    PRO A   4   CB  -  CA  -  C   ANGL. DEV. = -30.7 DEGREES          
-REMARK 500    PRO A   4   CA  -  CB  -  CG  ANGL. DEV. = -15.7 DEGREES          
-REMARK 500    PRO A   4   N   -  CD  -  CG  ANGL. DEV. = -12.4 DEGREES          
-REMARK 500    PRO A   4   O   -  C   -  N   ANGL. DEV. =  -9.9 DEGREES          
-REMARK 500    ALA A   5   CB  -  CA  -  C   ANGL. DEV. = -10.8 DEGREES          
-REMARK 500    ASP A   6   CB  -  CG  -  OD1 ANGL. DEV. =   6.5 DEGREES          
-REMARK 500    ASP A   6   CB  -  CG  -  OD2 ANGL. DEV. =  -8.8 DEGREES          
-REMARK 500    ASP A   6   O   -  C   -  N   ANGL. DEV. =  14.8 DEGREES          
-REMARK 500    LYS A   7   C   -  N   -  CA  ANGL. DEV. = -20.2 DEGREES          
-REMARK 500    LYS A   7   N   -  CA  -  CB  ANGL. DEV. = -13.5 DEGREES          
-REMARK 500    LYS A   7   CD  -  CE  -  NZ  ANGL. DEV. = -27.4 DEGREES          
-REMARK 500    LYS A   7   N   -  CA  -  C   ANGL. DEV. =  22.1 DEGREES          
-REMARK 500    LYS A   7   CA  -  C   -  N   ANGL. DEV. = -20.1 DEGREES          
-REMARK 500    THR A   8   C   -  N   -  CA  ANGL. DEV. = -15.7 DEGREES          
-REMARK 500    THR A   8   CA  -  CB  -  CG2 ANGL. DEV. = -10.7 DEGREES          
-REMARK 500    THR A   8   CA  -  C   -  O   ANGL. DEV. =  21.3 DEGREES          
-REMARK 500    VAL A  10   O   -  C   -  N   ANGL. DEV. =  11.4 DEGREES          
-REMARK 500    ALA A  12   C   -  N   -  CA  ANGL. DEV. = -22.9 DEGREES          
-REMARK 500    ALA A  12   CB  -  CA  -  C   ANGL. DEV. = -29.5 DEGREES          
-REMARK 500    ALA A  12   N   -  CA  -  CB  ANGL. DEV. = -14.5 DEGREES          
-REMARK 500    ALA A  12   O   -  C   -  N   ANGL. DEV. = -25.9 DEGREES          
-REMARK 500    ALA A  13   O   -  C   -  N   ANGL. DEV. =  13.6 DEGREES          
-REMARK 500    TRP A  14   CA  -  CB  -  CG  ANGL. DEV. = -22.4 DEGREES          
-REMARK 500    TRP A  14   CG  -  CD1 -  NE1 ANGL. DEV. = -13.5 DEGREES          
-REMARK 500    TRP A  14   CD1 -  NE1 -  CE2 ANGL. DEV. =  19.8 DEGREES          
-REMARK 500    TRP A  14   NE1 -  CE2 -  CZ2 ANGL. DEV. =  11.2 DEGREES          
-REMARK 500    TRP A  14   CH2 -  CZ2 -  CE2 ANGL. DEV. =  13.2 DEGREES          
-REMARK 500    GLY A  15   C   -  N   -  CA  ANGL. DEV. = -19.0 DEGREES          
-REMARK 500    GLY A  15   N   -  CA  -  C   ANGL. DEV. = -24.3 DEGREES          
-REMARK 500    GLY A  15   CA  -  C   -  O   ANGL. DEV. = -21.6 DEGREES          
-REMARK 500    GLY A  15   CA  -  C   -  N   ANGL. DEV. =  25.6 DEGREES          
-REMARK 500    GLY A  15   O   -  C   -  N   ANGL. DEV. =  -9.9 DEGREES          
-REMARK 500    LYS A  16   C   -  N   -  CA  ANGL. DEV. =  15.1 DEGREES          
-REMARK 500    LYS A  16   N   -  CA  -  CB  ANGL. DEV. =  14.8 DEGREES          
-REMARK 500    LYS A  16   CG  -  CD  -  CE  ANGL. DEV. = -48.6 DEGREES          
-REMARK 500    LYS A  16   CD  -  CE  -  NZ  ANGL. DEV. =  17.9 DEGREES          
-REMARK 500                                                                      
-REMARK 500 THIS ENTRY HAS    1481 ANGLE DEVIATIONS.                             
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: TORSION ANGLES                                             
-REMARK 500                                                                      
-REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
-REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
-REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
-REMARK 500                                                                      
-REMARK 500 STANDARD TABLE:                                                      
-REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
-REMARK 500                                                                      
-REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
-REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI        PSI       PHI                                   
-REMARK 500    SER A   3     -176.01    -60.80                                   
-REMARK 500    LYS A  16      -55.41     -1.55                                   
-REMARK 500    ALA A  21      -76.55    -47.40                                   
-REMARK 500    LEU A  48       40.81   -103.90                                   
-REMARK 500    SER A  52      150.87    -47.80                                   
-REMARK 500    HIS A 122      -70.12    -41.02                                   
-REMARK 500    THR B   4     -176.32    -55.07                                   
-REMARK 500    GLU B   7      -71.39    -64.26                                   
-REMARK 500    PHE B  45       -9.16    -52.07                                   
-REMARK 500    ASN B  80       59.72   -142.35                                   
-REMARK 500    TYR B 145      130.62    -35.71                                   
-REMARK 500    SER C   3      172.94    -57.29                                   
-REMARK 500    VAL C  17      -70.34    -65.44                                   
-REMARK 500    LEU C  48       32.06    -92.63                                   
-REMARK 500    ASP C  75       72.45   -151.27                                   
-REMARK 500    LYS C  90      -77.18   -122.52                                   
-REMARK 500    LEU C 113       71.25   -107.78                                   
-REMARK 500    LEU D   3     -163.80   -100.24                                   
-REMARK 500    ASN D  19       94.43    -63.05                                   
-REMARK 500    GLN D  39        0.49    -67.48                                   
-REMARK 500    SER D  72      -71.73    -40.75                                   
-REMARK 500    ASP D  73      -43.09    -22.67                                   
-REMARK 500    ALA D  76        7.73    -63.28                                   
-REMARK 500    HIS D  77       62.58   -172.71                                   
-REMARK 500    LEU D  78      -50.86    -25.69                                   
-REMARK 500    ASN D  80       85.05   -167.04                                   
-REMARK 500    HIS D  97       35.26     76.08                                   
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
-REMARK 500                                                                      
-REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
-REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
-REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
-REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
-REMARK 500                                 MODEL     OMEGA                      
-REMARK 500 GLY A   18     ALA A   19                 -145.49                    
-REMARK 500 SER B   49     THR B   50                  113.74                    
-REMARK 500 LEU D    3     THR D    4                  148.65                    
-REMARK 500 VAL D   18     ASN D   19                  148.41                    
-REMARK 500 LEU D   48     SER D   49                 -144.37                    
-REMARK 500 SER D   49     THR D   50                  143.57                    
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
-REMARK 500                                                                      
-REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
-REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
-REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
-REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
-REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
-REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
-REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI        RMS     TYPE                                    
-REMARK 500    HIS A  20         0.17    SIDE CHAIN                              
-REMARK 500    GLU A  23         0.25    SIDE CHAIN                              
-REMARK 500    TYR A  24         0.10    SIDE CHAIN                              
-REMARK 500    PHE A  36         0.09    SIDE CHAIN                              
-REMARK 500    HIS A  45         0.11    SIDE CHAIN                              
-REMARK 500    HIS A  50         0.20    SIDE CHAIN                              
-REMARK 500    GLN A  54         0.10    SIDE CHAIN                              
-REMARK 500    ASP A  64         0.14    SIDE CHAIN                              
-REMARK 500    HIS A  72         0.24    SIDE CHAIN                              
-REMARK 500    ASN A  78         0.08    SIDE CHAIN                              
-REMARK 500    ASP A  85         0.09    SIDE CHAIN                              
-REMARK 500    ARG A  92         0.08    SIDE CHAIN                              
-REMARK 500    ASP A 126         0.10    SIDE CHAIN                              
-REMARK 500    ARG A 141         0.08    SIDE CHAIN                              
-REMARK 500    HIS B   2         0.16    SIDE CHAIN                              
-REMARK 500    GLU B   6         0.16    SIDE CHAIN                              
-REMARK 500    ASN B  19         0.08    SIDE CHAIN                              
-REMARK 500    ASP B  21         0.15    SIDE CHAIN                              
-REMARK 500    GLU B  22         0.51    SIDE CHAIN                              
-REMARK 500    GLU B  26         0.38    SIDE CHAIN                              
-REMARK 500    ASP B  47         0.14    SIDE CHAIN                              
-REMARK 500    ASP B  52         0.19    SIDE CHAIN                              
-REMARK 500    HIS B  63         0.11    SIDE CHAIN                              
-REMARK 500    ASP B  79         0.11    SIDE CHAIN                              
-REMARK 500    ASN B  80         0.20    SIDE CHAIN                              
-REMARK 500    GLU B  90         0.15    SIDE CHAIN                              
-REMARK 500    ARG B 104         0.39    SIDE CHAIN                              
-REMARK 500    HIS B 117         0.22    SIDE CHAIN                              
-REMARK 500    PHE B 118         0.13    SIDE CHAIN                              
-REMARK 500    GLU B 121         0.26    SIDE CHAIN                              
-REMARK 500    HIS B 143         0.10    SIDE CHAIN                              
-REMARK 500    HIS B 146         0.31    SIDE CHAIN                              
-REMARK 500    ASN C   9         0.08    SIDE CHAIN                              
-REMARK 500    HIS C  20         0.14    SIDE CHAIN                              
-REMARK 500    GLU C  23         0.30    SIDE CHAIN                              
-REMARK 500    HIS C  45         0.10    SIDE CHAIN                              
-REMARK 500    PHE C  46         0.10    SIDE CHAIN                              
-REMARK 500    ASP C  47         0.15    SIDE CHAIN                              
-REMARK 500    ASP C  64         0.08    SIDE CHAIN                              
-REMARK 500    ASP C  75         0.07    SIDE CHAIN                              
-REMARK 500    ASN C  78         0.11    SIDE CHAIN                              
-REMARK 500    ARG C  92         0.20    SIDE CHAIN                              
-REMARK 500    GLU C 116         0.09    SIDE CHAIN                              
-REMARK 500    ASP C 126         0.11    SIDE CHAIN                              
-REMARK 500    ARG C 141         0.08    SIDE CHAIN                              
-REMARK 500    HIS D   2         0.10    SIDE CHAIN                              
-REMARK 500    GLU D   6         0.17    SIDE CHAIN                              
-REMARK 500    GLU D   7         0.10    SIDE CHAIN                              
-REMARK 500    ASN D  19         0.38    SIDE CHAIN                              
-REMARK 500    ASP D  21         0.18    SIDE CHAIN                              
-REMARK 500                                                                      
-REMARK 500 THIS ENTRY HAS      71 PLANE DEVIATIONS.                             
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
-REMARK 500                                                                      
-REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
-REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
-REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
-REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
-REMARK 500 I=INSERTION CODE).                                                   
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI        ANGLE                                           
-REMARK 500    VAL A   1        -12.66                                           
-REMARK 500    SER A   3        -13.96                                           
-REMARK 500    PRO A   4        -17.06                                           
-REMARK 500    ASN A   9         10.02                                           
-REMARK 500    LYS A  11        -14.58                                           
-REMARK 500    ALA A  12        -29.94                                           
-REMARK 500    GLY A  15         25.08                                           
-REMARK 500    ALA A  19        -16.87                                           
-REMARK 500    ALA A  21         26.61                                           
-REMARK 500    GLY A  22         15.67                                           
-REMARK 500    THR A  41         10.65                                           
-REMARK 500    PHE A  46        -10.97                                           
-REMARK 500    LEU A  48        -25.01                                           
-REMARK 500    SER A  52        -10.23                                           
-REMARK 500    LYS A  56         14.67                                           
-REMARK 500    GLY A  59        -10.71                                           
-REMARK 500    LYS A  61        -11.09                                           
-REMARK 500    ALA A  63        -17.65                                           
-REMARK 500    ASP A  74         18.25                                           
-REMARK 500    ASP A  75        -17.03                                           
-REMARK 500    MET A  76        -10.23                                           
-REMARK 500    ASN A  78        -10.93                                           
-REMARK 500    SER A  81        -10.91                                           
-REMARK 500    ALA A  82         11.29                                           
-REMARK 500    LEU A  83        -10.53                                           
-REMARK 500    ASP A  85        -12.19                                           
-REMARK 500    ALA A  88         11.87                                           
-REMARK 500    LYS A  90        -14.75                                           
-REMARK 500    ASN A  97        -10.48                                           
-REMARK 500    LYS A  99        -15.40                                           
-REMARK 500    LEU A 101        -10.99                                           
-REMARK 500    LEU A 106        -10.02                                           
-REMARK 500    ALA A 111         10.63                                           
-REMARK 500    PRO A 114        -12.36                                           
-REMARK 500    THR A 118        -18.84                                           
-REMARK 500    HIS A 122         17.52                                           
-REMARK 500    VAL B   1         34.93                                           
-REMARK 500    LEU B   3         14.19                                           
-REMARK 500    THR B   4        -16.98                                           
-REMARK 500    GLU B   7         12.85                                           
-REMARK 500    LEU B  14         12.16                                           
-REMARK 500    ASP B  21        -10.62                                           
-REMARK 500    THR B  38         14.87                                           
-REMARK 500    GLU B  43        -24.15                                           
-REMARK 500    SER B  44         54.71                                           
-REMARK 500    ASP B  47         16.37                                           
-REMARK 500    SER B  49        -74.55                                           
-REMARK 500    GLY B  56        -31.39                                           
-REMARK 500    LYS B  59        -12.59                                           
-REMARK 500    VAL B  60         10.98                                           
-REMARK 500                                                                      
-REMARK 500 THIS ENTRY HAS     130 MAIN CHAIN PLANARITY DEVIATIONS.              
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 610                                                                      
-REMARK 610 MISSING HETEROATOM                                                   
-REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
-REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
-REMARK 610 I=INSERTION CODE):                                                   
-REMARK 610   M RES C SSEQI                                                      
-REMARK 610     PO4 B  147                                                       
-REMARK 610     PO4 D  147                                                       
-REMARK 620                                                                      
-REMARK 620 METAL COORDINATION                                                   
-REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
-REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                             HEM A 142  FE                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 HIS A  87   NE2                                                    
-REMARK 620 2 HEM A 142   NA  100.9                                              
-REMARK 620 3 HEM A 142   NB  100.3  86.2                                        
-REMARK 620 4 HEM A 142   NC  104.6 154.5  88.3                                  
-REMARK 620 5 HEM A 142   ND  106.5  90.3 153.2  83.5                            
-REMARK 620 N                    1     2     3     4                             
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                             HEM B 148  FE                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 HIS B  92   NE2                                                    
-REMARK 620 2 HEM B 148   NA   97.7                                              
-REMARK 620 3 HEM B 148   NB   97.1  88.7                                        
-REMARK 620 4 HEM B 148   NC  104.0 158.3  90.0                                  
-REMARK 620 5 HEM B 148   ND  103.6  91.0 159.1  82.6                            
-REMARK 620 N                    1     2     3     4                             
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                             HEM C 142  FE                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 HIS C  87   NE2                                                    
-REMARK 620 2 HEM C 142   NA   92.2                                              
-REMARK 620 3 HEM C 142   NB   93.3  83.8                                        
-REMARK 620 4 HEM C 142   NC  105.8 162.0  94.8                                  
-REMARK 620 5 HEM C 142   ND  103.5  88.9 161.9  87.1                            
-REMARK 620 N                    1     2     3     4                             
-REMARK 620                                                                      
-REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
-REMARK 620                             HEM D 148  FE                            
-REMARK 620 N RES CSSEQI ATOM                                                    
-REMARK 620 1 HIS D  92   NE2                                                    
-REMARK 620 2 HEM D 148   NA   90.2                                              
-REMARK 620 3 HEM D 148   NB  102.2  88.3                                        
-REMARK 620 4 HEM D 148   NC  109.1 160.5  84.5                                  
-REMARK 620 5 HEM D 148   ND   97.7  89.1 159.9  91.4                            
-REMARK 620 N                    1     2     3     4                             
-REMARK 800                                                                      
-REMARK 800 SITE                                                                 
-REMARK 800 SITE_IDENTIFIER: AC1                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 D 147                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC2                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 B 147                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC3                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 142                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC4                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM B 148                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC5                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM C 142                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC6                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM D 148                 
-REMARK 900                                                                      
-REMARK 900 RELATED ENTRIES                                                      
-REMARK 900 RELATED ID: 2HHB   RELATED DB: PDB                                   
-REMARK 900 REFINED BY THE METHOD OF JACK AND LEVITT. THIS ENTRY PRESENTS THE    
-REMARK 900 BEST ESTIMATE OF THE COORDINATES.                                    
-REMARK 900 RELATED ID: 3HHB   RELATED DB: PDB                                   
-REMARK 900 SYMMETRY AVERAGED ABOUT THE (NON-CRYSTALLOGRAPHIC) MOLECULAR AXIS    
-REMARK 900 AND THEN RE-REGULARIZED BY THE ENERGY REFINEMENT METHOD OF LEVITT.   
-REMARK 900 THIS ENTRY PRESENTS COORDINATES THAT ARE ADEQUATE FOR MOST PURPOSES, 
-REMARK 900 SUCH AS COMPARISON WITH OTHER STRUCTURES.                            
-REMARK 900 RELATED ID: 1GLI   RELATED DB: PDB                                   
-DBREF  4HHB A    1   141  UNP    P69905   HBA_HUMAN        2    142             
-DBREF  4HHB B    1   146  UNP    P68871   HBB_HUMAN        2    147             
-DBREF  4HHB C    1   141  UNP    P69905   HBA_HUMAN        2    142             
-DBREF  4HHB D    1   146  UNP    P68871   HBB_HUMAN        2    147             
-SEQRES   1 A  141  VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA          
-SEQRES   2 A  141  TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA          
-SEQRES   3 A  141  GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR          
-SEQRES   4 A  141  LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER          
-SEQRES   5 A  141  ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA          
-SEQRES   6 A  141  LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN          
-SEQRES   7 A  141  ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU          
-SEQRES   8 A  141  ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS          
-SEQRES   9 A  141  LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE          
-SEQRES  10 A  141  THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA          
-SEQRES  11 A  141  SER VAL SER THR VAL LEU THR SER LYS TYR ARG                  
-SEQRES   1 B  146  VAL HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA          
-SEQRES   2 B  146  LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU          
-SEQRES   3 B  146  ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TRP THR GLN          
-SEQRES   4 B  146  ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP          
-SEQRES   5 B  146  ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS          
-SEQRES   6 B  146  LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU          
-SEQRES   7 B  146  ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU          
-SEQRES   8 B  146  HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG          
-SEQRES   9 B  146  LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS          
-SEQRES  10 B  146  PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR          
-SEQRES  11 B  146  GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS          
-SEQRES  12 B  146  LYS TYR HIS                                                  
-SEQRES   1 C  141  VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA          
-SEQRES   2 C  141  TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA          
-SEQRES   3 C  141  GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR          
-SEQRES   4 C  141  LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER          
-SEQRES   5 C  141  ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA          
-SEQRES   6 C  141  LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN          
-SEQRES   7 C  141  ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU          
-SEQRES   8 C  141  ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS          
-SEQRES   9 C  141  LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE          
-SEQRES  10 C  141  THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA          
-SEQRES  11 C  141  SER VAL SER THR VAL LEU THR SER LYS TYR ARG                  
-SEQRES   1 D  146  VAL HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA          
-SEQRES   2 D  146  LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU          
-SEQRES   3 D  146  ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TRP THR GLN          
-SEQRES   4 D  146  ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP          
-SEQRES   5 D  146  ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS          
-SEQRES   6 D  146  LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU          
-SEQRES   7 D  146  ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU          
-SEQRES   8 D  146  HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG          
-SEQRES   9 D  146  LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS          
-SEQRES  10 D  146  PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR          
-SEQRES  11 D  146  GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS          
-SEQRES  12 D  146  LYS TYR HIS                                                  
-HET    HEM  A 142      43                                                       
-HET    PO4  B 147       1                                                       
-HET    HEM  B 148      43                                                       
-HET    HEM  C 142      43                                                       
-HET    PO4  D 147       1                                                       
-HET    HEM  D 148      43                                                       
-HETNAM     HEM PROTOPORPHYRIN IX CONTAINING FE                                  
-HETNAM     PO4 PHOSPHATE ION                                                    
-HETSYN     HEM HEME                                                             
-FORMUL   5  HEM    4(C34 H32 FE N4 O4)                                          
-FORMUL   6  PO4    2(O4 P 3-)                                                   
-FORMUL  11  HOH   *221(H2 O)                                                    
-HELIX    1  AA SER A    3  GLY A   18  1                                  16    
-HELIX    2  AB HIS A   20  SER A   35  1                                  16    
-HELIX    3  AC PHE A   36  TYR A   42  1                                   7    
-HELIX    4  AD HIS A   50  GLY A   51  1DEGEN 2 RES HLX RETAIN HOMOL       2    
-HELIX    5  AE SER A   52  ALA A   71  1                                  20    
-HELIX    6  AF LEU A   80  ALA A   88  1                                   9    
-HELIX    7  AG ASP A   94  HIS A  112  1                                  19    
-HELIX    8  AH THR A  118  SER A  138  1                                  21    
-HELIX    9  BA THR B    4  VAL B   18  1                                  15    
-HELIX   10  BB ASN B   19  VAL B   34  1                                  16    
-HELIX   11  BC TYR B   35  PHE B   41  1                                   7    
-HELIX   12  BD THR B   50  GLY B   56  1                                   7    
-HELIX   13  BE ASN B   57  ALA B   76  1                                  20    
-HELIX   14  BF PHE B   85  CYS B   93  1                                   9    
-HELIX   15  BG ASP B   99  HIS B  117  1                                  19    
-HELIX   16  BH THR B  123  HIS B  143  1                                  21    
-HELIX   17  CA SER C    3  GLY C   18  1                                  16    
-HELIX   18  CB HIS C   20  SER C   35  1                                  16    
-HELIX   19  CC PHE C   36  TYR C   42  1                                   7    
-HELIX   20  CD HIS C   50  GLY C   51  1DEGEN 2 RES HLX RETAIN HOMOL       2    
-HELIX   21  CE SER C   52  ALA C   71  1                                  20    
-HELIX   22  CF LEU C   80  ALA C   88  1                                   9    
-HELIX   23  CG ASP C   94  HIS C  112  1                                  19    
-HELIX   24  CH THR C  118  SER C  138  1                                  21    
-HELIX   25  DA THR D    4  VAL D   18  1                                  15    
-HELIX   26  DB ASN D   19  VAL D   34  1                                  16    
-HELIX   27  DC TYR D   35  PHE D   41  1                                   7    
-HELIX   28  DD THR D   50  GLY D   56  1                                   7    
-HELIX   29  DE ASN D   57  ALA D   76  1                                  20    
-HELIX   30  DF PHE D   85  CYS D   93  1                                   9    
-HELIX   31  DG ASP D   99  HIS D  117  1                                  19    
-HELIX   32  DH THR D  123  HIS D  143  1                                  21    
-LINK         NE2 HIS A  87                FE   HEM A 142     1555   1555  2.14  
-LINK         NE2 HIS B  92                FE   HEM B 148     1555   1555  2.22  
-LINK         NE2 HIS C  87                FE   HEM C 142     1555   1555  2.26  
-LINK         NE2 HIS D  92                FE   HEM D 148     1555   1555  1.98  
-SITE     1 AC1  1 VAL D   1                                                     
-SITE     1 AC2  1 HOH B 197                                                     
-SITE     1 AC3 16 TYR A  42  PHE A  43  HIS A  45  PHE A  46                    
-SITE     2 AC3 16 HIS A  58  LYS A  61  LEU A  86  HIS A  87                    
-SITE     3 AC3 16 LEU A  91  VAL A  93  ASN A  97  PHE A  98                    
-SITE     4 AC3 16 LEU A 101  LEU A 136  HOH A 144  HOH A 159                    
-SITE     1 AC4 13 ALA A  53  HOH A 145  PHE B  41  HIS B  63                    
-SITE     2 AC4 13 LYS B  66  VAL B  67  HIS B  92  LEU B  96                    
-SITE     3 AC4 13 ASN B 102  PHE B 103  LEU B 141  HOH B 175                    
-SITE     4 AC4 13 HOH B 193                                                     
-SITE     1 AC5 15 TYR C  42  PHE C  43  HIS C  45  HIS C  58                    
-SITE     2 AC5 15 LYS C  61  LEU C  83  LEU C  86  HIS C  87                    
-SITE     3 AC5 15 LEU C  91  VAL C  93  ASN C  97  PHE C  98                    
-SITE     4 AC5 15 LEU C 136  HOH C 149  HOH C 164                               
-SITE     1 AC6  7 HIS D  63  LYS D  66  VAL D  67  HIS D  92                    
-SITE     2 AC6  7 LEU D  96  ASN D 102  LEU D 141                               
-CRYST1   63.150   83.590   53.800  90.00  99.34  90.00 P 1 21 1      4          
-ORIGX1      0.963457  0.136613  0.230424       16.61000                         
-ORIGX2     -0.158977  0.983924  0.081383       13.72000                         
-ORIGX3     -0.215598 -0.115048  0.969683       37.65000                         
-SCALE1      0.015462  0.002192  0.003698        0.26656                         
-SCALE2     -0.001902  0.011771  0.000974        0.16413                         
-SCALE3     -0.001062 -0.001721  0.018728        0.75059                         
-MTRIX1   1 -1.000000  0.000000  0.000000        0.00001    1                    
-MTRIX2   1  0.000000  1.000000  0.000000        0.00002    1                    
-MTRIX3   1  0.000000  0.000000 -1.000000        0.00002    1                    
-ATOM      1  N   VAL A   1       6.204  16.869   4.854  1.00 49.05           N  
-ATOM      2  CA  VAL A   1       6.913  17.759   4.607  1.00 43.14           C  
-ATOM      3  C   VAL A   1       8.504  17.378   4.797  1.00 24.80           C  
-ATOM      4  O   VAL A   1       8.805  17.011   5.943  1.00 37.68           O  
-ATOM      5  CB  VAL A   1       6.369  19.044   5.810  1.00 72.12           C  
-ATOM      6  CG1 VAL A   1       7.009  20.127   5.418  1.00 61.79           C  
-ATOM      7  CG2 VAL A   1       5.246  18.533   5.681  1.00 80.12           C  
-ATOM      8  N   LEU A   2       9.096  18.040   3.857  1.00 26.44           N  
-ATOM      9  CA  LEU A   2      10.600  17.889   4.283  1.00 26.32           C  
-ATOM     10  C   LEU A   2      11.265  19.184   5.297  1.00 32.96           C  
-ATOM     11  O   LEU A   2      10.813  20.177   4.647  1.00 31.90           O  
-ATOM     12  CB  LEU A   2      11.099  18.007   2.815  1.00 29.23           C  
-ATOM     13  CG  LEU A   2      11.322  16.956   1.934  1.00 37.71           C  
-ATOM     14  CD1 LEU A   2      11.468  15.596   2.337  1.00 39.10           C  
-ATOM     15  CD2 LEU A   2      11.423  17.268   0.300  1.00 37.47           C  
-ATOM     16  N   SER A   3      11.584  18.730   6.148  1.00 28.01           N  
-ATOM     17  CA  SER A   3      12.263  19.871   7.087  1.00 26.03           C  
-ATOM     18  C   SER A   3      13.304  20.329   6.300  1.00 25.99           C  
-ATOM     19  O   SER A   3      14.085  19.818   5.364  1.00 25.98           O  
-ATOM     20  CB  SER A   3      12.744  19.045   8.223  1.00 23.41           C  
-ATOM     21  OG  SER A   3      13.781  18.286   8.179  1.00 30.00           O  
-ATOM     22  N   PRO A   4      14.196  21.422   7.097  1.00 37.49           N  
-ATOM     23  CA  PRO A   4      15.048  21.890   6.206  1.00 38.81           C  
-ATOM     24  C   PRO A   4      16.464  21.282   6.288  1.00 25.63           C  
-ATOM     25  O   PRO A   4      17.212  20.899   5.409  1.00 34.38           O  
-ATOM     26  CB  PRO A   4      15.814  23.113   7.166  1.00 50.44           C  
-ATOM     27  CG  PRO A   4      14.493  23.536   7.638  1.00 43.42           C  
-ATOM     28  CD  PRO A   4      13.298  22.523   7.651  1.00 42.77           C  
-ATOM     29  N   ALA A   5      16.399  20.279   7.524  1.00 24.33           N  
-ATOM     30  CA  ALA A   5      17.552  19.622   7.588  1.00 24.06           C  
-ATOM     31  C   ALA A   5      17.376  18.283   6.601  1.00 20.01           C  
-ATOM     32  O   ALA A   5      18.422  17.849   6.010  1.00 24.46           O  
-ATOM     33  CB  ALA A   5      17.454  18.830   9.164  1.00 28.15           C  
-ATOM     34  N   ASP A   6      16.050  17.799   6.298  1.00 21.19           N  
-ATOM     35  CA  ASP A   6      15.881  16.887   5.120  1.00 23.14           C  
-ATOM     36  C   ASP A   6      16.573  17.497   3.915  1.00 15.75           C  
-ATOM     37  O   ASP A   6      17.240  16.611   3.235  1.00 18.92           O  
-ATOM     38  CB  ASP A   6      14.530  16.515   4.983  1.00 18.68           C  
-ATOM     39  CG  ASP A   6      13.966  15.638   6.125  1.00 21.70           C  
-ATOM     40  OD1 ASP A   6      14.573  14.751   6.678  1.00 19.76           O  
-ATOM     41  OD2 ASP A   6      12.734  15.931   6.321  1.00 21.26           O  
-ATOM     42  N   LYS A   7      16.082  18.800   3.719  1.00 15.62           N  
-ATOM     43  CA  LYS A   7      16.897  19.255   2.400  1.00 26.74           C  
-ATOM     44  C   LYS A   7      18.354  19.319   2.072  1.00 24.82           C  
-ATOM     45  O   LYS A   7      18.858  18.855   1.145  1.00 21.36           O  
-ATOM     46  CB  LYS A   7      16.022  20.503   2.054  1.00 28.73           C  
-ATOM     47  CG  LYS A   7      14.518  20.443   2.287  1.00 34.11           C  
-ATOM     48  CD  LYS A   7      13.833  21.967   2.124  1.00 46.50           C  
-ATOM     49  CE  LYS A   7      12.524  21.830   2.733  1.00 40.75           C  
-ATOM     50  NZ  LYS A   7      12.310  23.286   2.231  1.00 50.05           N  
-ATOM     51  N   THR A   8      18.879  19.583   3.554  1.00 20.80           N  
-ATOM     52  CA  THR A   8      20.359  19.452   3.495  1.00 23.21           C  
-ATOM     53  C   THR A   8      21.000  18.322   3.125  1.00 17.85           C  
-ATOM     54  O   THR A   8      21.907  17.957   2.500  1.00 20.04           O  
-ATOM     55  CB  THR A   8      20.762  20.269   4.939  1.00 31.90           C  
-ATOM     56  OG1 THR A   8      20.363  21.458   4.886  1.00 31.01           O  
-ATOM     57  CG2 THR A   8      22.026  20.115   4.978  1.00 43.78           C  
-ATOM     58  N   ASN A   9      20.249  17.203   3.818  1.00 16.13           N  
-ATOM     59  CA  ASN A   9      20.591  15.889   3.728  1.00 17.84           C  
-ATOM     60  C   ASN A   9      20.630  15.286   2.184  1.00 14.45           C  
-ATOM     61  O   ASN A   9      21.319  14.475   1.822  1.00 21.78           O  
-ATOM     62  CB  ASN A   9      19.836  14.946   4.644  1.00 20.10           C  
-ATOM     63  CG  ASN A   9      20.193  15.272   6.089  1.00 34.82           C  
-ATOM     64  OD1 ASN A   9      21.294  15.680   6.444  1.00 26.93           O  
-ATOM     65  ND2 ASN A   9      19.527  14.719   6.950  1.00 28.08           N  
-ATOM     66  N   VAL A  10      19.435  15.546   1.583  1.00 19.64           N  
-ATOM     67  CA  VAL A  10      19.157  15.110   0.179  1.00 13.04           C  
-ATOM     68  C   VAL A  10      20.341  15.904  -0.719  1.00 18.71           C  
-ATOM     69  O   VAL A  10      20.832  15.221  -1.618  1.00 22.34           O  
-ATOM     70  CB  VAL A  10      17.776  15.394  -0.119  1.00 19.07           C  
-ATOM     71  CG1 VAL A  10      17.623  15.138  -1.549  1.00 21.59           C  
-ATOM     72  CG2 VAL A  10      16.816  14.756   0.575  1.00 22.75           C  
-ATOM     73  N   LYS A  11      20.392  17.201  -0.404  1.00 18.31           N  
-ATOM     74  CA  LYS A  11      21.297  18.030  -1.415  1.00 24.80           C  
-ATOM     75  C   LYS A  11      22.762  17.451  -1.066  1.00 19.51           C  
-ATOM     76  O   LYS A  11      23.584  17.190  -2.069  1.00 22.33           O  
-ATOM     77  CB  LYS A  11      21.334  19.381  -1.059  1.00 39.77           C  
-ATOM     78  CG  LYS A  11      20.229  20.052  -1.350  1.00 34.41           C  
-ATOM     79  CD  LYS A  11      20.256  21.365  -1.389  1.00 46.95           C  
-ATOM     80  CE  LYS A  11      18.633  21.891  -2.358  1.00 49.55           C  
-ATOM     81  NZ  LYS A  11      18.398  23.088  -1.720  1.00 78.67           N  
-ATOM     82  N   ALA A  12      23.031  16.766   0.069  1.00 20.60           N  
-ATOM     83  CA  ALA A  12      24.347  16.671  -0.059  1.00 25.98           C  
-ATOM     84  C   ALA A  12      24.529  15.278  -0.129  1.00 38.04           C  
-ATOM     85  O   ALA A  12      25.505  14.711  -1.045  1.00 31.19           O  
-ATOM     86  CB  ALA A  12      24.641  16.359   1.529  1.00 28.13           C  
-ATOM     87  N   ALA A  13      23.581  14.281  -0.261  1.00 21.69           N  
-ATOM     88  CA  ALA A  13      23.822  13.010  -0.701  1.00 19.11           C  
-ATOM     89  C   ALA A  13      23.807  12.890  -2.423  1.00 22.93           C  
-ATOM     90  O   ALA A  13      24.517  12.116  -2.938  1.00 24.98           O  
-ATOM     91  CB  ALA A  13      22.612  12.109  -0.160  1.00 23.17           C  
-ATOM     92  N   TRP A  14      22.807  13.763  -2.832  1.00 22.14           N  
-ATOM     93  CA  TRP A  14      22.715  13.681  -4.311  1.00 21.27           C  
-ATOM     94  C   TRP A  14      24.007  14.453  -5.015  1.00 28.97           C  
-ATOM     95  O   TRP A  14      24.452  13.999  -6.086  1.00 27.61           O  
-ATOM     96  CB  TRP A  14      21.129  14.484  -4.728  1.00 29.00           C  
-ATOM     97  CG  TRP A  14      21.116  13.951  -5.830  1.00 25.79           C  
-ATOM     98  CD1 TRP A  14      21.182  14.904  -7.199  1.00 22.38           C  
-ATOM     99  CD2 TRP A  14      20.358  12.768  -6.306  1.00 20.46           C  
-ATOM    100  NE1 TRP A  14      20.545  13.886  -8.152  1.00 29.74           N  
-ATOM    101  CE2 TRP A  14      20.127  12.855  -7.917  1.00 27.75           C  
-ATOM    102  CE3 TRP A  14      19.993  11.556  -5.760  1.00 34.00           C  
-ATOM    103  CZ2 TRP A  14      19.685  11.924  -8.428  1.00 34.81           C  
-ATOM    104  CZ3 TRP A  14      19.443  10.605  -6.677  1.00 42.11           C  
-ATOM    105  CH2 TRP A  14      19.361  10.910  -7.988  1.00 47.54           C  
-ATOM    106  N   GLY A  15      24.563  15.294  -4.064  1.00 40.92           N  
-ATOM    107  CA  GLY A  15      25.545  16.032  -4.810  1.00 38.97           C  
-ATOM    108  C   GLY A  15      26.606  14.720  -4.643  1.00 34.61           C  
-ATOM    109  O   GLY A  15      27.532  14.956  -6.011  1.00 36.24           O  
-ATOM    110  N   LYS A  16      27.023  14.192  -4.019  1.00 35.37           N  
-ATOM    111  CA  LYS A  16      27.691  12.809  -3.990  1.00 29.09           C  
-ATOM    112  C   LYS A  16      27.692  11.980  -5.322  1.00 27.28           C  
-ATOM    113  O   LYS A  16      28.444  11.335  -5.752  1.00 36.62           O  
-ATOM    114  CB  LYS A  16      27.773  11.881  -2.758  1.00 30.47           C  
-ATOM    115  CG  LYS A  16      29.128  10.897  -2.949  1.00 47.02           C  
-ATOM    116  CD  LYS A  16      30.512  12.265  -2.454  1.00 66.41           C  
-ATOM    117  CE  LYS A  16      31.160  10.590  -3.127  1.00 65.00           C  
-ATOM    118  NZ  LYS A  16      31.293   9.343  -2.468  1.00 69.28           N  
-ATOM    119  N   VAL A  17      26.231  11.894  -5.716  1.00 40.63           N  
-ATOM    120  CA  VAL A  17      25.763  11.093  -6.580  1.00 32.19           C  
-ATOM    121  C   VAL A  17      26.644  11.417  -8.297  1.00 51.53           C  
-ATOM    122  O   VAL A  17      27.090  10.850  -8.486  1.00 36.95           O  
-ATOM    123  CB  VAL A  17      24.455  10.688  -6.704  1.00 24.77           C  
-ATOM    124  CG1 VAL A  17      24.024  10.418  -8.088  1.00 21.73           C  
-ATOM    125  CG2 VAL A  17      23.718   9.922  -5.546  1.00 23.90           C  
-ATOM    126  N   GLY A  18      26.340  12.947  -7.963  1.00 36.07           N  
-ATOM    127  CA  GLY A  18      27.063  13.723  -8.931  1.00 37.64           C  
-ATOM    128  C   GLY A  18      26.574  12.969 -10.560  1.00 27.84           C  
-ATOM    129  O   GLY A  18      25.253  13.110 -10.707  1.00 34.16           O  
-ATOM    130  N   ALA A  19      27.657  12.515 -11.022  1.00 35.70           N  
-ATOM    131  CA  ALA A  19      27.728  12.613 -12.429  1.00 37.59           C  
-ATOM    132  C   ALA A  19      27.500  10.976 -12.552  1.00 34.69           C  
-ATOM    133  O   ALA A  19      27.084  10.420 -13.842  1.00 48.59           O  
-ATOM    134  CB  ALA A  19      29.012  12.664 -13.280  1.00 46.19           C  
-ATOM    135  N   HIS A  20      27.156  10.119 -11.606  1.00 20.24           N  
-ATOM    136  CA  HIS A  20      26.883   8.665 -11.713  1.00 19.03           C  
-ATOM    137  C   HIS A  20      25.297   8.749 -11.742  1.00 17.82           C  
-ATOM    138  O   HIS A  20      24.744   7.547 -11.745  1.00 20.59           O  
-ATOM    139  CB  HIS A  20      27.211   8.007 -10.561  1.00 31.92           C  
-ATOM    140  CG  HIS A  20      28.495   7.629 -10.284  1.00 45.35           C  
-ATOM    141  ND1 HIS A  20      29.488   7.023 -11.531  1.00 52.86           N  
-ATOM    142  CD2 HIS A  20      29.445   8.698  -9.743  1.00 43.12           C  
-ATOM    143  CE1 HIS A  20      30.546   7.246 -10.801  1.00 68.75           C  
-ATOM    144  NE2 HIS A  20      30.729   7.865 -10.003  1.00 55.89           N  
-ATOM    145  N   ALA A  21      24.687   9.784 -11.799  1.00 29.55           N  
-ATOM    146  CA  ALA A  21      23.159   9.917 -11.488  1.00 29.36           C  
-ATOM    147  C   ALA A  21      22.579   8.284 -12.650  1.00 46.23           C  
-ATOM    148  O   ALA A  21      21.659   8.109 -12.129  1.00 27.88           O  
-ATOM    149  CB  ALA A  21      22.561  11.174 -11.335  1.00 28.64           C  
-ATOM    150  N   GLY A  22      22.741   9.029 -13.713  1.00 27.74           N  
-ATOM    151  CA  GLY A  22      22.302   7.955 -14.644  1.00 29.10           C  
-ATOM    152  C   GLY A  22      22.405   6.768 -14.523  1.00 40.30           C  
-ATOM    153  O   GLY A  22      21.884   5.714 -14.971  1.00 33.08           O  
-ATOM    154  N   GLU A  23      23.751   6.163 -14.331  1.00 22.76           N  
-ATOM    155  CA  GLU A  23      24.084   4.748 -14.144  1.00 14.60           C  
-ATOM    156  C   GLU A  23      23.211   4.210 -12.893  1.00 13.41           C  
-ATOM    157  O   GLU A  23      22.937   3.039 -12.842  1.00 16.24           O  
-ATOM    158  CB  GLU A  23      25.664   4.939 -13.797  1.00 20.16           C  
-ATOM    159  CG  GLU A  23      26.201   3.519 -13.776  1.00 40.65           C  
-ATOM    160  CD  GLU A  23      28.243   3.900 -13.483  1.00 70.75           C  
-ATOM    161  OE1 GLU A  23      27.931   3.380 -11.875  1.00 57.57           O  
-ATOM    162  OE2 GLU A  23      28.452   5.212 -13.971  1.00 57.46           O  
-ATOM    163  N   TYR A  24      23.179   5.044 -11.863  1.00 18.60           N  
-ATOM    164  CA  TYR A  24      22.505   4.593 -10.679  1.00 26.35           C  
-ATOM    165  C   TYR A  24      21.016   4.562 -11.095  1.00 17.67           C  
-ATOM    166  O   TYR A  24      20.360   3.603 -10.478  1.00 17.15           O  
-ATOM    167  CB  TYR A  24      22.464   5.807  -9.581  1.00 21.47           C  
-ATOM    168  CG  TYR A  24      23.992   5.643  -8.868  1.00 17.94           C  
-ATOM    169  CD1 TYR A  24      24.282   6.445  -7.897  1.00 25.54           C  
-ATOM    170  CD2 TYR A  24      24.950   4.858  -9.353  1.00 18.41           C  
-ATOM    171  CE1 TYR A  24      25.677   6.369  -7.422  1.00 27.77           C  
-ATOM    172  CE2 TYR A  24      26.305   4.768  -8.960  1.00 24.84           C  
-ATOM    173  CZ  TYR A  24      26.528   5.702  -7.748  1.00 28.92           C  
-ATOM    174  OH  TYR A  24      27.827   5.849  -7.564  1.00 33.79           O  
-ATOM    175  N   GLY A  25      20.378   5.478 -11.759  1.00 17.58           N  
-ATOM    176  CA  GLY A  25      19.016   5.420 -12.390  1.00 16.95           C  
-ATOM    177  C   GLY A  25      18.833   4.130 -12.941  1.00 12.93           C  
-ATOM    178  O   GLY A  25      17.819   3.343 -12.872  1.00 14.53           O  
-ATOM    179  N   ALA A  26      19.615   3.604 -13.915  1.00 15.78           N  
-ATOM    180  CA  ALA A  26      19.582   2.579 -14.539  1.00 18.05           C  
-ATOM    181  C   ALA A  26      19.480   1.089 -13.772  1.00 13.38           C  
-ATOM    182  O   ALA A  26      18.901   0.084 -13.805  1.00 13.68           O  
-ATOM    183  CB  ALA A  26      20.556   2.124 -15.501  1.00 21.17           C  
-ATOM    184  N   GLU A  27      20.535   1.124 -12.715  1.00 13.26           N  
-ATOM    185  CA  GLU A  27      20.575   0.021 -11.753  1.00 15.73           C  
-ATOM    186  C   GLU A  27      19.308  -0.043 -10.886  1.00  9.69           C  
-ATOM    187  O   GLU A  27      18.918  -1.164 -10.735  1.00 13.70           O  
-ATOM    188  CB  GLU A  27      21.903   0.397 -10.962  1.00 17.47           C  
-ATOM    189  CG  GLU A  27      21.998  -0.702  -9.888  1.00 16.72           C  
-ATOM    190  CD  GLU A  27      23.378  -0.554  -8.914  1.00 28.34           C  
-ATOM    191  OE1 GLU A  27      23.164  -0.938  -7.844  1.00 20.53           O  
-ATOM    192  OE2 GLU A  27      24.282   0.068  -9.385  1.00 20.32           O  
-ATOM    193  N   ALA A  28      18.802   1.101 -10.459  1.00 11.71           N  
-ATOM    194  CA  ALA A  28      17.589   1.092  -9.707  1.00 14.08           C  
-ATOM    195  C   ALA A  28      16.437   0.281 -10.410  1.00 18.50           C  
-ATOM    196  O   ALA A  28      15.609  -0.358 -10.010  1.00 12.43           O  
-ATOM    197  CB  ALA A  28      17.166   2.432  -9.252  1.00 19.09           C  
-ATOM    198  N   LEU A  29      16.400   0.918 -11.698  1.00 12.19           N  
-ATOM    199  CA  LEU A  29      15.328   0.075 -12.594  1.00 17.48           C  
-ATOM    200  C   LEU A  29      15.559  -1.439 -12.734  1.00  9.74           C  
-ATOM    201  O   LEU A  29      14.606  -2.189 -12.644  1.00 10.80           O  
-ATOM    202  CB  LEU A  29      15.302   0.859 -14.203  1.00 12.13           C  
-ATOM    203  CG  LEU A  29      14.894   2.291 -14.067  1.00 14.66           C  
-ATOM    204  CD1 LEU A  29      15.261   2.690 -15.515  1.00 16.80           C  
-ATOM    205  CD2 LEU A  29      13.402   2.225 -13.944  1.00 18.58           C  
-ATOM    206  N   GLU A  30      16.843  -1.859 -13.083  1.00  9.20           N  
-ATOM    207  CA  GLU A  30      17.065  -3.260 -13.067  1.00 11.66           C  
-ATOM    208  C   GLU A  30      16.682  -4.043 -11.806  1.00 13.48           C  
-ATOM    209  O   GLU A  30      16.222  -5.112 -11.842  1.00 17.00           O  
-ATOM    210  CB  GLU A  30      18.445  -3.450 -13.556  1.00 19.11           C  
-ATOM    211  CG  GLU A  30      18.613  -4.789 -13.421  1.00 27.23           C  
-ATOM    212  CD  GLU A  30      20.397  -5.050 -14.290  1.00 43.77           C  
-ATOM    213  OE1 GLU A  30      21.034  -4.018 -14.191  1.00 45.21           O  
-ATOM    214  OE2 GLU A  30      20.320  -6.204 -14.925  1.00 45.13           O  
-ATOM    215  N   ARG A  31      17.074  -3.325 -10.709  1.00 11.70           N  
-ATOM    216  CA  ARG A  31      16.706  -3.885  -9.384  1.00 13.69           C  
-ATOM    217  C   ARG A  31      15.116  -4.077  -9.266  1.00 13.95           C  
-ATOM    218  O   ARG A  31      14.772  -5.201  -8.729  1.00 16.42           O  
-ATOM    219  CB  ARG A  31      17.207  -3.143  -8.212  1.00  9.32           C  
-ATOM    220  CG  ARG A  31      18.786  -3.298  -8.162  1.00 14.85           C  
-ATOM    221  CD  ARG A  31      19.223  -2.383  -7.101  1.00 20.12           C  
-ATOM    222  NE  ARG A  31      20.863  -2.372  -6.759  1.00 14.83           N  
-ATOM    223  CZ  ARG A  31      21.361  -3.431  -6.210  1.00 13.22           C  
-ATOM    224  NH1 ARG A  31      20.746  -4.460  -5.716  1.00 11.40           N  
-ATOM    225  NH2 ARG A  31      22.719  -3.344  -6.301  1.00 17.34           N  
-ATOM    226  N   MET A  32      14.439  -3.020  -9.681  1.00 11.37           N  
-ATOM    227  CA  MET A  32      13.032  -3.139  -9.600  1.00 10.16           C  
-ATOM    228  C   MET A  32      12.471  -4.206 -10.484  1.00 12.10           C  
-ATOM    229  O   MET A  32      11.562  -5.027 -10.075  1.00 12.78           O  
-ATOM    230  CB  MET A  32      12.387  -1.842  -9.978  1.00 12.48           C  
-ATOM    231  CG  MET A  32      10.889  -1.620  -9.930  1.00 17.73           C  
-ATOM    232  SD  MET A  32      10.285  -0.089 -10.543  1.00 15.12           S  
-ATOM    233  CE  MET A  32      10.633  -0.449 -12.284  1.00 11.32           C  
-ATOM    234  N   PHE A  33      12.859  -4.341 -11.658  1.00 13.98           N  
-ATOM    235  CA  PHE A  33      12.423  -5.476 -12.584  1.00 16.07           C  
-ATOM    236  C   PHE A  33      12.551  -6.737 -12.305  1.00 12.29           C  
-ATOM    237  O   PHE A  33      11.788  -7.686 -12.349  1.00 14.84           O  
-ATOM    238  CB  PHE A  33      12.947  -5.237 -13.990  1.00 11.16           C  
-ATOM    239  CG  PHE A  33      12.536  -3.998 -14.641  1.00 10.01           C  
-ATOM    240  CD1 PHE A  33      11.466  -3.383 -14.673  1.00 13.62           C  
-ATOM    241  CD2 PHE A  33      13.679  -3.464 -15.536  1.00 19.46           C  
-ATOM    242  CE1 PHE A  33      11.074  -2.180 -15.483  1.00 17.65           C  
-ATOM    243  CE2 PHE A  33      13.177  -2.070 -16.087  1.00 14.83           C  
-ATOM    244  CZ  PHE A  33      12.158  -1.591 -16.095  1.00 12.93           C  
-ATOM    245  N   LEU A  34      13.735  -6.963 -11.432  1.00 16.04           N  
-ATOM    246  CA  LEU A  34      14.079  -8.337 -11.022  1.00 14.57           C  
-ATOM    247  C   LEU A  34      13.293  -8.578  -9.676  1.00 17.64           C  
-ATOM    248  O   LEU A  34      12.997  -9.724  -9.442  1.00 18.98           O  
-ATOM    249  CB  LEU A  34      15.453  -8.526 -10.814  1.00 18.08           C  
-ATOM    250  CG  LEU A  34      16.401  -8.680 -11.761  1.00 28.60           C  
-ATOM    251  CD1 LEU A  34      17.957  -8.573 -11.703  1.00 25.37           C  
-ATOM    252  CD2 LEU A  34      15.936  -9.330 -12.871  1.00 34.83           C  
-ATOM    253  N   SER A  35      13.220  -7.510  -8.706  1.00 15.41           N  
-ATOM    254  CA  SER A  35      12.815  -7.908  -7.502  1.00 14.95           C  
-ATOM    255  C   SER A  35      11.238  -7.909  -7.418  1.00 15.69           C  
-ATOM    256  O   SER A  35      10.517  -8.531  -6.585  1.00 14.29           O  
-ATOM    257  CB  SER A  35      13.131  -6.749  -6.442  1.00 13.14           C  
-ATOM    258  OG  SER A  35      14.485  -7.014  -6.085  1.00 17.78           O  
-ATOM    259  N   PHE A  36      10.680  -7.033  -8.262  1.00 13.54           N  
-ATOM    260  CA  PHE A  36       9.195  -6.850  -8.454  1.00 13.46           C  
-ATOM    261  C   PHE A  36       8.843  -6.910  -9.927  1.00  8.62           C  
-ATOM    262  O   PHE A  36       8.478  -5.788 -10.556  1.00 14.12           O  
-ATOM    263  CB  PHE A  36       8.936  -5.457  -7.919  1.00 16.50           C  
-ATOM    264  CG  PHE A  36       9.418  -4.974  -6.493  1.00 13.63           C  
-ATOM    265  CD1 PHE A  36      10.591  -4.292  -6.329  1.00 11.92           C  
-ATOM    266  CD2 PHE A  36       8.828  -5.831  -5.362  1.00 19.28           C  
-ATOM    267  CE1 PHE A  36      11.048  -4.090  -5.054  1.00 15.75           C  
-ATOM    268  CE2 PHE A  36       9.372  -5.629  -4.112  1.00 13.78           C  
-ATOM    269  CZ  PHE A  36      10.535  -4.872  -4.007  1.00 15.33           C  
-ATOM    270  N   PRO A  37       8.621  -8.156 -10.145  1.00 14.18           N  
-ATOM    271  CA  PRO A  37       8.292  -8.333 -11.715  1.00 17.12           C  
-ATOM    272  C   PRO A  37       7.088  -7.804 -12.224  1.00 17.85           C  
-ATOM    273  O   PRO A  37       6.976  -7.542 -13.453  1.00 18.50           O  
-ATOM    274  CB  PRO A  37       8.433  -9.844 -11.897  1.00 23.37           C  
-ATOM    275  CG  PRO A  37       8.573 -10.410 -10.572  1.00 28.27           C  
-ATOM    276  CD  PRO A  37       8.857  -9.204  -9.532  1.00 20.43           C  
-ATOM    277  N   THR A  38       6.105  -7.481 -11.322  1.00 18.86           N  
-ATOM    278  CA  THR A  38       4.849  -6.949 -11.938  1.00 14.66           C  
-ATOM    279  C   THR A  38       5.134  -5.609 -12.568  1.00 12.72           C  
-ATOM    280  O   THR A  38       4.433  -5.064 -13.326  1.00 15.75           O  
-ATOM    281  CB  THR A  38       3.879  -6.749 -10.732  1.00 19.10           C  
-ATOM    282  OG1 THR A  38       4.340  -6.112  -9.661  1.00 18.82           O  
-ATOM    283  CG2 THR A  38       3.543  -8.224 -10.416  1.00 22.69           C  
-ATOM    284  N   THR A  39       6.269  -4.882 -12.154  1.00 14.27           N  
-ATOM    285  CA  THR A  39       6.491  -3.556 -12.776  1.00 10.19           C  
-ATOM    286  C   THR A  39       6.886  -3.690 -14.302  1.00 10.17           C  
-ATOM    287  O   THR A  39       6.836  -2.719 -14.886  1.00 14.01           O  
-ATOM    288  CB  THR A  39       7.510  -2.917 -11.996  1.00 15.56           C  
-ATOM    289  OG1 THR A  39       8.881  -3.562 -11.937  1.00 14.68           O  
-ATOM    290  CG2 THR A  39       7.258  -2.652 -10.511  1.00 20.52           C  
-ATOM    291  N   LYS A  40       7.174  -4.831 -14.593  1.00 14.72           N  
-ATOM    292  CA  LYS A  40       7.574  -4.871 -15.954  1.00 15.89           C  
-ATOM    293  C   LYS A  40       6.392  -4.785 -17.012  1.00 21.37           C  
-ATOM    294  O   LYS A  40       6.437  -4.614 -18.103  1.00 15.72           O  
-ATOM    295  CB  LYS A  40       8.145  -6.482 -16.338  1.00 11.64           C  
-ATOM    296  CG  LYS A  40       9.529  -6.584 -15.725  1.00 16.19           C  
-ATOM    297  CD  LYS A  40      10.167  -7.889 -16.138  1.00 23.35           C  
-ATOM    298  CE  LYS A  40       9.677  -9.033 -15.597  1.00 24.42           C  
-ATOM    299  NZ  LYS A  40      10.352 -10.362 -15.922  1.00 19.04           N  
-ATOM    300  N   THR A  41       5.127  -4.865 -16.397  1.00 13.16           N  
-ATOM    301  CA  THR A  41       3.875  -4.707 -17.174  1.00 14.78           C  
-ATOM    302  C   THR A  41       3.932  -3.487 -17.746  1.00 15.32           C  
-ATOM    303  O   THR A  41       3.044  -3.054 -18.672  1.00 15.67           O  
-ATOM    304  CB  THR A  41       2.612  -5.037 -16.228  1.00 15.38           C  
-ATOM    305  OG1 THR A  41       2.526  -4.071 -15.248  1.00 14.93           O  
-ATOM    306  CG2 THR A  41       2.578  -6.405 -15.884  1.00 16.57           C  
-ATOM    307  N   TYR A  42       4.610  -2.356 -17.311  1.00 10.46           N  
-ATOM    308  CA  TYR A  42       4.398  -1.015 -17.861  1.00 12.73           C  
-ATOM    309  C   TYR A  42       5.571  -0.792 -19.101  1.00  7.07           C  
-ATOM    310  O   TYR A  42       5.611   0.312 -19.642  1.00 12.11           O  
-ATOM    311  CB  TYR A  42       4.898  -0.049 -16.794  1.00 14.67           C  
-ATOM    312  CG  TYR A  42       3.618   0.026 -15.875  1.00 13.54           C  
-ATOM    313  CD1 TYR A  42       2.437   0.794 -16.095  1.00 19.68           C  
-ATOM    314  CD2 TYR A  42       3.661  -0.765 -14.634  1.00 18.38           C  
-ATOM    315  CE1 TYR A  42       1.433   0.570 -15.142  1.00 23.98           C  
-ATOM    316  CE2 TYR A  42       2.601  -0.739 -13.758  1.00 13.41           C  
-ATOM    317  CZ  TYR A  42       1.469  -0.048 -14.033  1.00 18.96           C  
-ATOM    318  OH  TYR A  42       0.436  -0.054 -13.115  1.00 19.81           O  
-ATOM    319  N   PHE A  43       6.476  -1.826 -19.154  1.00 17.11           N  
-ATOM    320  CA  PHE A  43       7.621  -1.843 -20.115  1.00 18.18           C  
-ATOM    321  C   PHE A  43       7.472  -2.895 -21.133  1.00 24.86           C  
-ATOM    322  O   PHE A  43       8.506  -3.413 -21.456  1.00 22.13           O  
-ATOM    323  CB  PHE A  43       8.883  -1.731 -19.445  1.00 15.44           C  
-ATOM    324  CG  PHE A  43       9.117  -0.406 -18.576  1.00 14.36           C  
-ATOM    325  CD1 PHE A  43       8.554  -0.479 -17.198  1.00 14.47           C  
-ATOM    326  CD2 PHE A  43       9.564   0.739 -18.886  1.00 16.54           C  
-ATOM    327  CE1 PHE A  43       8.777   0.624 -16.478  1.00 20.56           C  
-ATOM    328  CE2 PHE A  43       9.747   1.973 -18.107  1.00 17.61           C  
-ATOM    329  CZ  PHE A  43       9.344   1.707 -16.778  1.00 18.88           C  
-ATOM    330  N   PRO A  44       6.315  -3.239 -21.641  1.00 18.09           N  
-ATOM    331  CA  PRO A  44       6.381  -4.414 -22.439  1.00 22.24           C  
-ATOM    332  C   PRO A  44       7.028  -3.933 -24.077  1.00 24.15           C  
-ATOM    333  O   PRO A  44       7.495  -4.754 -24.733  1.00 24.01           O  
-ATOM    334  CB  PRO A  44       5.048  -4.531 -22.752  1.00 28.44           C  
-ATOM    335  CG  PRO A  44       4.370  -3.210 -22.675  1.00 24.77           C  
-ATOM    336  CD  PRO A  44       5.151  -2.594 -21.501  1.00 21.37           C  
-ATOM    337  N   HIS A  45       7.181  -2.759 -24.200  1.00 22.61           N  
-ATOM    338  CA  HIS A  45       7.861  -2.190 -25.416  1.00 32.33           C  
-ATOM    339  C   HIS A  45       9.330  -2.042 -25.421  1.00 27.50           C  
-ATOM    340  O   HIS A  45       9.974  -1.539 -26.257  1.00 22.34           O  
-ATOM    341  CB  HIS A  45       7.358  -0.919 -25.693  1.00 28.91           C  
-ATOM    342  CG  HIS A  45       7.192   0.375 -24.801  1.00 24.48           C  
-ATOM    343  ND1 HIS A  45       6.886  -0.058 -23.407  1.00 28.61           N  
-ATOM    344  CD2 HIS A  45       7.956   1.463 -24.795  1.00 25.11           C  
-ATOM    345  CE1 HIS A  45       7.011   1.085 -22.716  1.00 26.97           C  
-ATOM    346  NE2 HIS A  45       7.765   2.042 -23.628  1.00 30.40           N  
-ATOM    347  N   PHE A  46      10.122  -2.386 -24.054  1.00 17.28           N  
-ATOM    348  CA  PHE A  46      11.455  -2.262 -23.909  1.00 16.89           C  
-ATOM    349  C   PHE A  46      12.005  -3.636 -24.127  1.00 16.17           C  
-ATOM    350  O   PHE A  46      11.604  -4.686 -23.635  1.00 18.14           O  
-ATOM    351  CB  PHE A  46      11.684  -1.700 -22.434  1.00 19.02           C  
-ATOM    352  CG  PHE A  46      11.699  -0.399 -22.451  1.00 24.73           C  
-ATOM    353  CD1 PHE A  46      12.430   0.377 -21.434  1.00 19.60           C  
-ATOM    354  CD2 PHE A  46      11.298   0.412 -23.118  1.00 32.07           C  
-ATOM    355  CE1 PHE A  46      12.410   1.666 -21.260  1.00 16.62           C  
-ATOM    356  CE2 PHE A  46      11.265   1.969 -23.113  1.00 32.95           C  
-ATOM    357  CZ  PHE A  46      11.777   2.738 -22.175  1.00 26.82           C  
-ATOM    358  N   ASP A  47      13.392  -3.464 -24.534  1.00 19.28           N  
-ATOM    359  CA  ASP A  47      14.201  -4.676 -24.267  1.00 21.11           C  
-ATOM    360  C   ASP A  47      14.839  -4.498 -22.659  1.00 19.86           C  
-ATOM    361  O   ASP A  47      15.431  -3.489 -22.547  1.00 21.26           O  
-ATOM    362  CB  ASP A  47      15.523  -4.420 -25.240  1.00 18.49           C  
-ATOM    363  CG  ASP A  47      16.401  -5.761 -25.037  1.00 31.25           C  
-ATOM    364  OD1 ASP A  47      16.311  -6.607 -24.275  1.00 29.75           O  
-ATOM    365  OD2 ASP A  47      17.439  -5.328 -25.588  1.00 43.41           O  
-ATOM    366  N   LEU A  48      14.368  -5.324 -22.041  1.00 24.03           N  
-ATOM    367  CA  LEU A  48      14.753  -5.341 -20.734  1.00 18.27           C  
-ATOM    368  C   LEU A  48      15.791  -6.404 -20.198  1.00 36.02           C  
-ATOM    369  O   LEU A  48      16.171  -6.209 -19.141  1.00 39.74           O  
-ATOM    370  CB  LEU A  48      13.415  -5.610 -19.721  1.00 19.69           C  
-ATOM    371  CG  LEU A  48      12.489  -4.486 -19.789  1.00 21.82           C  
-ATOM    372  CD1 LEU A  48      11.174  -5.208 -18.951  1.00 33.27           C  
-ATOM    373  CD2 LEU A  48      12.620  -3.262 -19.549  1.00 24.10           C  
-ATOM    374  N   SER A  49      16.783  -6.499 -21.225  1.00 29.95           N  
-ATOM    375  CA  SER A  49      18.122  -7.384 -21.060  1.00 36.57           C  
-ATOM    376  C   SER A  49      18.846  -6.374 -20.277  1.00 27.84           C  
-ATOM    377  O   SER A  49      19.000  -5.086 -20.358  1.00 22.88           O  
-ATOM    378  CB  SER A  49      18.154  -8.122 -22.211  1.00 37.22           C  
-ATOM    379  OG  SER A  49      18.651  -7.428 -22.904  1.00 43.53           O  
-ATOM    380  N   HIS A  50      19.910  -7.126 -19.381  1.00 28.70           N  
-ATOM    381  CA  HIS A  50      20.458  -5.929 -18.816  1.00 33.73           C  
-ATOM    382  C   HIS A  50      21.497  -5.179 -19.493  1.00 26.32           C  
-ATOM    383  O   HIS A  50      22.162  -5.918 -20.594  1.00 31.00           O  
-ATOM    384  CB  HIS A  50      21.839  -7.147 -17.996  1.00 52.72           C  
-ATOM    385  CG  HIS A  50      22.748  -6.326 -17.477  1.00 44.40           C  
-ATOM    386  ND1 HIS A  50      22.626  -5.701 -16.215  1.00 33.80           N  
-ATOM    387  CD2 HIS A  50      24.218  -6.937 -17.247  1.00 47.43           C  
-ATOM    388  CE1 HIS A  50      23.812  -5.042 -15.891  1.00 41.56           C  
-ATOM    389  NE2 HIS A  50      24.721  -5.696 -16.698  1.00 46.05           N  
-ATOM    390  N   GLY A  51      21.750  -4.254 -19.494  1.00 24.77           N  
-ATOM    391  CA  GLY A  51      22.455  -3.151 -20.084  1.00 47.57           C  
-ATOM    392  C   GLY A  51      21.857  -2.536 -21.373  1.00 38.90           C  
-ATOM    393  O   GLY A  51      22.594  -2.038 -22.085  1.00 36.29           O  
-ATOM    394  N   SER A  52      20.675  -3.017 -21.484  1.00 31.32           N  
-ATOM    395  CA  SER A  52      19.963  -2.196 -22.851  1.00 26.23           C  
-ATOM    396  C   SER A  52      20.134  -0.997 -22.782  1.00 16.57           C  
-ATOM    397  O   SER A  52      19.933  -0.129 -21.983  1.00 20.02           O  
-ATOM    398  CB  SER A  52      18.619  -2.881 -22.964  1.00 27.24           C  
-ATOM    399  OG  SER A  52      17.746  -2.046 -22.388  1.00 23.82           O  
-ATOM    400  N   ALA A  53      20.194  -0.382 -24.103  1.00 17.74           N  
-ATOM    401  CA  ALA A  53      20.270   0.998 -24.154  1.00 23.86           C  
-ATOM    402  C   ALA A  53      18.923   1.773 -23.848  1.00 16.18           C  
-ATOM    403  O   ALA A  53      18.953   2.849 -23.330  1.00 19.42           O  
-ATOM    404  CB  ALA A  53      20.303   1.395 -25.787  1.00 25.47           C  
-ATOM    405  N   GLN A  54      17.736   0.981 -23.874  1.00 20.85           N  
-ATOM    406  CA  GLN A  54      16.512   1.657 -23.573  1.00 13.59           C  
-ATOM    407  C   GLN A  54      16.574   1.828 -21.914  1.00 19.26           C  
-ATOM    408  O   GLN A  54      15.942   2.867 -21.609  1.00 20.48           O  
-ATOM    409  CB  GLN A  54      15.353   0.611 -23.904  1.00 15.39           C  
-ATOM    410  CG  GLN A  54      14.983   0.803 -25.364  1.00 20.40           C  
-ATOM    411  CD  GLN A  54      14.209  -0.311 -25.782  1.00 15.48           C  
-ATOM    412  OE1 GLN A  54      14.579  -1.521 -25.849  1.00 23.45           O  
-ATOM    413  NE2 GLN A  54      13.268  -0.063 -26.856  1.00 19.86           N  
-ATOM    414  N   VAL A  55      16.964   0.770 -21.300  1.00 16.87           N  
-ATOM    415  CA  VAL A  55      17.057   0.967 -19.825  1.00 16.48           C  
-ATOM    416  C   VAL A  55      17.956   2.003 -19.318  1.00 17.36           C  
-ATOM    417  O   VAL A  55      17.791   2.873 -18.570  1.00 18.40           O  
-ATOM    418  CB  VAL A  55      17.306  -0.514 -19.268  1.00 14.78           C  
-ATOM    419  CG1 VAL A  55      17.609  -0.401 -17.796  1.00 21.77           C  
-ATOM    420  CG2 VAL A  55      16.107  -1.297 -19.446  1.00 16.83           C  
-ATOM    421  N   LYS A  56      19.228   1.986 -19.953  1.00 16.43           N  
-ATOM    422  CA  LYS A  56      20.094   3.039 -19.797  1.00 16.52           C  
-ATOM    423  C   LYS A  56      19.566   4.272 -19.699  1.00 21.58           C  
-ATOM    424  O   LYS A  56      19.825   5.350 -19.163  1.00 20.11           O  
-ATOM    425  CB  LYS A  56      21.563   2.786 -20.316  1.00 18.35           C  
-ATOM    426  CG  LYS A  56      21.968   1.412 -19.848  1.00 28.49           C  
-ATOM    427  CD  LYS A  56      23.832   1.798 -20.631  1.00 44.71           C  
-ATOM    428  CE  LYS A  56      24.647   0.185 -20.276  1.00 47.65           C  
-ATOM    429  NZ  LYS A  56      26.042   0.618 -20.926  1.00 52.31           N  
-ATOM    430  N   GLY A  57      19.018   4.549 -21.123  1.00 17.21           N  
-ATOM    431  CA  GLY A  57      18.386   5.829 -21.439  1.00 25.10           C  
-ATOM    432  C   GLY A  57      17.163   6.322 -20.441  1.00 19.44           C  
-ATOM    433  O   GLY A  57      17.339   7.478 -20.078  1.00 20.54           O  
-ATOM    434  N   HIS A  58      16.465   5.322 -20.170  1.00 18.79           N  
-ATOM    435  CA  HIS A  58      15.350   5.701 -19.218  1.00 20.27           C  
-ATOM    436  C   HIS A  58      15.995   6.080 -17.623  1.00 13.51           C  
-ATOM    437  O   HIS A  58      15.432   7.056 -17.182  1.00 17.47           O  
-ATOM    438  CB  HIS A  58      14.449   4.447 -19.262  1.00 17.90           C  
-ATOM    439  CG  HIS A  58      13.058   4.996 -18.478  1.00 15.76           C  
-ATOM    440  ND1 HIS A  58      12.287   6.114 -18.800  1.00 20.40           N  
-ATOM    441  CD2 HIS A  58      12.522   4.394 -17.450  1.00 20.31           C  
-ATOM    442  CE1 HIS A  58      11.473   6.092 -17.719  1.00 20.13           C  
-ATOM    443  NE2 HIS A  58      11.497   5.103 -17.065  1.00 21.08           N  
-ATOM    444  N   GLY A  59      16.881   5.222 -17.443  1.00 14.95           N  
-ATOM    445  CA  GLY A  59      17.562   5.623 -16.096  1.00 18.11           C  
-ATOM    446  C   GLY A  59      18.124   6.806 -15.942  1.00 19.85           C  
-ATOM    447  O   GLY A  59      17.932   7.718 -15.003  1.00 15.36           O  
-ATOM    448  N   LYS A  60      18.701   7.399 -17.074  1.00 17.17           N  
-ATOM    449  CA  LYS A  60      19.105   8.846 -17.109  1.00 18.34           C  
-ATOM    450  C   LYS A  60      18.266   9.905 -16.940  1.00 18.03           C  
-ATOM    451  O   LYS A  60      18.249  10.847 -16.377  1.00 18.72           O  
-ATOM    452  CB  LYS A  60      20.142   9.096 -18.402  1.00 30.65           C  
-ATOM    453  CG  LYS A  60      20.617  10.355 -18.546  1.00 41.57           C  
-ATOM    454  CD  LYS A  60      21.486  10.272 -19.721  1.00 63.44           C  
-ATOM    455  CE  LYS A  60      22.042  12.123 -19.760  1.00 44.10           C  
-ATOM    456  NZ  LYS A  60      23.253  10.931 -21.838  1.00 49.08           N  
-ATOM    457  N   LYS A  61      17.057   9.480 -17.740  1.00 16.33           N  
-ATOM    458  CA  LYS A  61      15.986  10.442 -17.612  1.00 17.87           C  
-ATOM    459  C   LYS A  61      15.127  10.479 -16.158  1.00 14.89           C  
-ATOM    460  O   LYS A  61      14.981  11.608 -15.829  1.00 19.71           O  
-ATOM    461  CB  LYS A  61      14.717  10.033 -18.529  1.00 25.67           C  
-ATOM    462  CG  LYS A  61      14.971  10.361 -20.143  1.00 41.04           C  
-ATOM    463  CD  LYS A  61      13.959   9.646 -21.043  1.00 54.25           C  
-ATOM    464  CE  LYS A  61      14.061   9.666 -21.851  1.00 78.95           C  
-ATOM    465  NZ  LYS A  61      13.029   9.011 -23.092  1.00 43.58           N  
-ATOM    466  N   VAL A  62      15.316   9.304 -15.709  1.00 15.10           N  
-ATOM    467  CA  VAL A  62      14.699   9.322 -14.234  1.00 16.18           C  
-ATOM    468  C   VAL A  62      15.686  10.200 -13.093  1.00 18.93           C  
-ATOM    469  O   VAL A  62      15.095  11.051 -12.555  1.00 16.64           O  
-ATOM    470  CB  VAL A  62      14.660   7.890 -13.835  1.00 13.59           C  
-ATOM    471  CG1 VAL A  62      14.141   7.704 -12.419  1.00 20.28           C  
-ATOM    472  CG2 VAL A  62      13.407   7.365 -14.552  1.00 17.24           C  
-ATOM    473  N   ALA A  63      16.863   9.822 -13.546  1.00 18.60           N  
-ATOM    474  CA  ALA A  63      17.806  10.661 -12.634  1.00 14.91           C  
-ATOM    475  C   ALA A  63      18.050  11.967 -12.922  1.00 18.47           C  
-ATOM    476  O   ALA A  63      17.940  12.889 -11.976  1.00 18.58           O  
-ATOM    477  CB  ALA A  63      19.170   9.768 -12.782  1.00 37.76           C  
-ATOM    478  N   ASP A  64      17.821  12.573 -14.198  1.00 16.80           N  
-ATOM    479  CA  ASP A  64      17.733  13.912 -14.174  1.00 24.74           C  
-ATOM    480  C   ASP A  64      16.549  14.773 -13.697  1.00 17.12           C  
-ATOM    481  O   ASP A  64      16.672  15.717 -13.116  1.00 22.08           O  
-ATOM    482  CB  ASP A  64      17.603  14.212 -15.737  1.00 35.97           C  
-ATOM    483  CG  ASP A  64      19.349  14.293 -16.612  1.00 31.06           C  
-ATOM    484  OD1 ASP A  64      20.156  13.672 -15.497  1.00 35.72           O  
-ATOM    485  OD2 ASP A  64      18.977  14.172 -17.839  1.00 43.58           O  
-ATOM    486  N   ALA A  65      15.332  13.912 -13.869  1.00 13.28           N  
-ATOM    487  CA  ALA A  65      14.329  14.415 -13.017  1.00 17.27           C  
-ATOM    488  C   ALA A  65      14.445  14.482 -11.415  1.00 13.03           C  
-ATOM    489  O   ALA A  65      13.989  15.536 -11.013  1.00 17.77           O  
-ATOM    490  CB  ALA A  65      12.982  13.578 -13.361  1.00 23.35           C  
-ATOM    491  N   LEU A  66      15.162  13.498 -11.063  1.00 15.51           N  
-ATOM    492  CA  LEU A  66      15.339  13.706  -9.605  1.00 11.63           C  
-ATOM    493  C   LEU A  66      16.337  14.754  -9.333  1.00 19.15           C  
-ATOM    494  O   LEU A  66      16.146  15.585  -8.334  1.00 19.52           O  
-ATOM    495  CB  LEU A  66      15.829  12.371  -9.144  1.00 13.76           C  
-ATOM    496  CG  LEU A  66      14.823  11.115  -8.963  1.00 19.82           C  
-ATOM    497  CD1 LEU A  66      15.489   9.880  -8.746  1.00 18.79           C  
-ATOM    498  CD2 LEU A  66      13.658  11.434  -8.143  1.00 21.54           C  
-ATOM    499  N   THR A  67      17.286  14.890 -10.137  1.00 15.35           N  
-ATOM    500  CA  THR A  67      18.223  15.978 -10.096  1.00 19.22           C  
-ATOM    501  C   THR A  67      17.538  17.420 -10.103  1.00 19.35           C  
-ATOM    502  O   THR A  67      17.647  18.426  -9.135  1.00 25.50           O  
-ATOM    503  CB  THR A  67      19.391  15.815 -10.975  1.00 27.92           C  
-ATOM    504  OG1 THR A  67      20.048  14.951 -10.890  1.00 31.77           O  
-ATOM    505  CG2 THR A  67      20.007  17.263 -11.105  1.00 31.55           C  
-ATOM    506  N   ASN A  68      16.575  17.470 -11.016  1.00 18.73           N  
-ATOM    507  CA  ASN A  68      15.744  18.747 -11.028  1.00 18.68           C  
-ATOM    508  C   ASN A  68      14.923  18.912  -9.894  1.00 24.52           C  
-ATOM    509  O   ASN A  68      14.765  20.137  -9.247  1.00 25.75           O  
-ATOM    510  CB  ASN A  68      14.756  18.608 -12.121  1.00 25.79           C  
-ATOM    511  CG  ASN A  68      13.735  19.831 -12.299  1.00 36.65           C  
-ATOM    512  OD1 ASN A  68      14.126  20.875 -12.151  1.00 38.63           O  
-ATOM    513  ND2 ASN A  68      12.596  19.698 -13.037  1.00 39.67           N  
-ATOM    514  N   ALA A  69      14.365  17.791  -9.099  1.00 17.85           N  
-ATOM    515  CA  ALA A  69      13.480  18.120  -7.964  1.00 16.12           C  
-ATOM    516  C   ALA A  69      14.454  18.477  -6.733  1.00 15.28           C  
-ATOM    517  O   ALA A  69      14.055  19.178  -5.996  1.00 20.90           O  
-ATOM    518  CB  ALA A  69      13.019  16.796  -7.635  1.00 21.91           C  
-ATOM    519  N   VAL A  70      15.742  17.807  -6.739  1.00 18.42           N  
-ATOM    520  CA  VAL A  70      16.670  18.320  -5.560  1.00 18.79           C  
-ATOM    521  C   VAL A  70      17.052  19.774  -5.743  1.00 21.40           C  
-ATOM    522  O   VAL A  70      16.986  20.472  -4.749  1.00 22.44           O  
-ATOM    523  CB  VAL A  70      17.782  17.521  -5.616  1.00 19.75           C  
-ATOM    524  CG1 VAL A  70      19.021  17.739  -4.714  1.00 24.49           C  
-ATOM    525  CG2 VAL A  70      17.476  16.043  -5.206  1.00 30.23           C  
-ATOM    526  N   ALA A  71      17.156  20.293  -6.971  1.00 20.17           N  
-ATOM    527  CA  ALA A  71      17.389  21.815  -7.308  1.00 23.56           C  
-ATOM    528  C   ALA A  71      16.370  22.294  -6.912  1.00 25.98           C  
-ATOM    529  O   ALA A  71      16.635  23.655  -6.511  1.00 33.09           O  
-ATOM    530  CB  ALA A  71      17.654  21.789  -8.655  1.00 32.78           C  
-ATOM    531  N   HIS A  72      15.081  22.080  -6.888  1.00 23.78           N  
-ATOM    532  CA  HIS A  72      13.997  22.837  -6.617  1.00 21.95           C  
-ATOM    533  C   HIS A  72      13.181  22.411  -5.617  1.00 20.17           C  
-ATOM    534  O   HIS A  72      11.897  22.212  -5.613  1.00 23.99           O  
-ATOM    535  CB  HIS A  72      12.821  22.953  -7.947  1.00 35.07           C  
-ATOM    536  CG  HIS A  72      13.866  23.277  -8.689  1.00 34.89           C  
-ATOM    537  ND1 HIS A  72      13.873  24.932  -9.510  1.00 43.74           N  
-ATOM    538  CD2 HIS A  72      14.464  23.117 -10.031  1.00 29.96           C  
-ATOM    539  CE1 HIS A  72      15.153  25.255  -9.959  1.00 41.69           C  
-ATOM    540  NE2 HIS A  72      15.223  24.225 -10.948  1.00 44.85           N  
-ATOM    541  N   VAL A  73      13.752  21.857  -4.446  1.00 23.31           N  
-ATOM    542  CA  VAL A  73      13.057  21.077  -3.315  1.00 23.32           C  
-ATOM    543  C   VAL A  73      12.075  21.651  -2.904  1.00 32.07           C  
-ATOM    544  O   VAL A  73      10.955  21.485  -2.533  1.00 42.18           O  
-ATOM    545  CB  VAL A  73      13.998  20.556  -2.485  1.00 41.19           C  
-ATOM    546  CG1 VAL A  73      14.923  21.399  -1.795  1.00 52.76           C  
-ATOM    547  CG2 VAL A  73      13.799  19.262  -2.036  1.00 47.91           C  
-ATOM    548  N   ASP A  74      12.275  23.065  -2.789  1.00 30.40           N  
-ATOM    549  CA  ASP A  74      11.145  24.002  -2.142  1.00 34.95           C  
-ATOM    550  C   ASP A  74      10.049  24.015  -3.350  1.00 50.97           C  
-ATOM    551  O   ASP A  74       9.132  24.778  -2.717  1.00 49.62           O  
-ATOM    552  CB  ASP A  74      11.678  25.422  -2.020  1.00 42.77           C  
-ATOM    553  CG  ASP A  74      12.830  25.304  -0.645  1.00 52.01           C  
-ATOM    554  OD1 ASP A  74      12.752  24.865   0.015  1.00 49.67           O  
-ATOM    555  OD2 ASP A  74      14.337  25.661  -0.918  1.00 51.46           O  
-ATOM    556  N   ASP A  75       9.922  23.915  -4.261  1.00 36.55           N  
-ATOM    557  CA  ASP A  75       8.668  23.936  -5.208  1.00 36.46           C  
-ATOM    558  C   ASP A  75       8.874  22.788  -6.315  1.00 19.07           C  
-ATOM    559  O   ASP A  75       8.567  23.036  -7.581  1.00 22.77           O  
-ATOM    560  CB  ASP A  75       9.451  25.163  -6.540  1.00 64.13           C  
-ATOM    561  CG  ASP A  75       8.868  25.436  -6.330  1.00 74.46           C  
-ATOM    562  OD1 ASP A  75       7.314  26.337  -6.605  1.00 47.43           O  
-ATOM    563  OD2 ASP A  75       8.881  25.994  -8.289  1.00 60.83           O  
-ATOM    564  N   MET A  76       8.625  21.775  -5.634  1.00 28.83           N  
-ATOM    565  CA  MET A  76       8.674  20.530  -6.647  1.00 25.75           C  
-ATOM    566  C   MET A  76       7.271  20.288  -7.401  1.00 26.47           C  
-ATOM    567  O   MET A  76       7.358  19.996  -8.579  1.00 25.06           O  
-ATOM    568  CB  MET A  76       8.643  19.305  -5.552  1.00 26.87           C  
-ATOM    569  CG  MET A  76       9.740  19.092  -5.553  1.00 44.91           C  
-ATOM    570  SD  MET A  76      10.207  17.317  -4.716  1.00 43.69           S  
-ATOM    571  CE  MET A  76      10.186  17.272  -3.278  1.00 47.45           C  
-ATOM    572  N   PRO A  77       6.289  20.734  -6.858  1.00 24.72           N  
-ATOM    573  CA  PRO A  77       5.288  21.011  -7.720  1.00 32.25           C  
-ATOM    574  C   PRO A  77       5.404  21.500  -8.895  1.00 33.71           C  
-ATOM    575  O   PRO A  77       4.843  20.983 -10.107  1.00 27.50           O  
-ATOM    576  CB  PRO A  77       3.868  21.504  -6.885  1.00 35.42           C  
-ATOM    577  CG  PRO A  77       4.538  21.027  -5.570  1.00 42.65           C  
-ATOM    578  CD  PRO A  77       5.873  20.979  -5.490  1.00 26.77           C  
-ATOM    579  N   ASN A  78       5.832  22.745  -9.066  1.00 28.71           N  
-ATOM    580  CA  ASN A  78       5.931  23.542 -10.146  1.00 29.25           C  
-ATOM    581  C   ASN A  78       7.105  22.960 -10.923  1.00 25.30           C  
-ATOM    582  O   ASN A  78       7.043  22.562 -12.258  1.00 31.49           O  
-ATOM    583  CB  ASN A  78       6.292  25.075 -10.189  1.00 52.85           C  
-ATOM    584  CG  ASN A  78       5.615  25.627 -10.060  1.00 62.76           C  
-ATOM    585  OD1 ASN A  78       4.765  26.184  -8.258  1.00 71.55           O  
-ATOM    586  ND2 ASN A  78       4.594  25.811 -10.486  1.00 72.60           N  
-ATOM    587  N   ALA A  79       8.114  22.456 -10.315  1.00 21.06           N  
-ATOM    588  CA  ALA A  79       9.264  21.897 -10.989  1.00 28.88           C  
-ATOM    589  C   ALA A  79       8.963  20.522 -11.944  1.00 27.69           C  
-ATOM    590  O   ALA A  79       9.465  20.431 -13.022  1.00 25.51           O  
-ATOM    591  CB  ALA A  79      10.294  21.701 -10.105  1.00 35.64           C  
-ATOM    592  N   LEU A  80       8.232  19.781 -11.312  1.00 22.21           N  
-ATOM    593  CA  LEU A  80       7.767  18.341 -11.815  1.00 24.91           C  
-ATOM    594  C   LEU A  80       6.510  18.562 -12.698  1.00 29.49           C  
-ATOM    595  O   LEU A  80       5.875  17.479 -12.950  1.00 21.47           O  
-ATOM    596  CB  LEU A  80       7.734  17.285 -10.765  1.00 17.03           C  
-ATOM    597  CG  LEU A  80       9.126  17.077 -10.078  1.00 26.04           C  
-ATOM    598  CD1 LEU A  80       8.930  16.109  -9.016  1.00 30.97           C  
-ATOM    599  CD2 LEU A  80      10.040  16.545 -11.282  1.00 40.31           C  
-ATOM    600  N   SER A  81       5.857  19.827 -12.942  1.00 21.07           N  
-ATOM    601  CA  SER A  81       4.431  19.687 -13.335  1.00 18.09           C  
-ATOM    602  C   SER A  81       4.363  19.087 -14.671  1.00 20.48           C  
-ATOM    603  O   SER A  81       3.314  18.257 -14.890  1.00 25.77           O  
-ATOM    604  CB  SER A  81       4.467  21.619 -13.861  1.00 32.64           C  
-ATOM    605  OG  SER A  81       2.994  21.456 -13.913  1.00 44.30           O  
-ATOM    606  N   ALA A  82       5.219  18.957 -15.594  1.00 23.80           N  
-ATOM    607  CA  ALA A  82       5.295  18.397 -16.849  1.00 21.23           C  
-ATOM    608  C   ALA A  82       5.047  16.984 -16.596  1.00 19.91           C  
-ATOM    609  O   ALA A  82       4.419  16.133 -17.266  1.00 24.36           O  
-ATOM    610  CB  ALA A  82       6.433  18.664 -17.830  1.00 22.94           C  
-ATOM    611  N   LEU A  83       6.039  16.444 -15.755  1.00 18.35           N  
-ATOM    612  CA  LEU A  83       5.983  14.900 -15.664  1.00 19.01           C  
-ATOM    613  C   LEU A  83       4.967  14.491 -14.735  1.00 18.91           C  
-ATOM    614  O   LEU A  83       4.393  13.347 -14.967  1.00 18.17           O  
-ATOM    615  CB  LEU A  83       7.250  14.624 -14.735  1.00 22.27           C  
-ATOM    616  CG  LEU A  83       8.130  13.821 -15.009  1.00 34.66           C  
-ATOM    617  CD1 LEU A  83       8.449  13.918 -16.558  1.00 28.24           C  
-ATOM    618  CD2 LEU A  83       9.756  14.153 -14.680  1.00 38.79           C  
-ATOM    619  N   SER A  84       4.321  15.210 -13.869  1.00 13.22           N  
-ATOM    620  CA  SER A  84       3.091  14.769 -13.309  1.00 14.54           C  
-ATOM    621  C   SER A  84       1.806  14.643 -14.240  1.00 13.50           C  
-ATOM    622  O   SER A  84       1.081  13.802 -14.037  1.00 20.19           O  
-ATOM    623  CB  SER A  84       2.316  15.701 -11.953  1.00 25.45           C  
-ATOM    624  OG  SER A  84       3.028  16.684 -12.075  1.00 36.19           O  
-ATOM    625  N   ASP A  85       1.894  15.645 -15.194  1.00 15.99           N  
-ATOM    626  CA  ASP A  85       0.657  15.457 -16.246  1.00 18.10           C  
-ATOM    627  C   ASP A  85       0.872  14.320 -17.117  1.00 20.71           C  
-ATOM    628  O   ASP A  85       0.085  13.524 -17.249  1.00 20.01           O  
-ATOM    629  CB  ASP A  85       0.847  16.636 -17.207  1.00 30.89           C  
-ATOM    630  CG  ASP A  85       0.240  17.791 -16.350  1.00 57.00           C  
-ATOM    631  OD1 ASP A  85      -0.408  17.890 -15.984  1.00 51.34           O  
-ATOM    632  OD2 ASP A  85       0.645  19.250 -17.189  1.00 50.68           O  
-ATOM    633  N   LEU A  86       2.217  13.883 -17.444  1.00 20.13           N  
-ATOM    634  CA  LEU A  86       2.516  12.802 -18.225  1.00 17.03           C  
-ATOM    635  C   LEU A  86       2.094  11.499 -17.604  1.00 14.48           C  
-ATOM    636  O   LEU A  86       1.613  10.536 -18.155  1.00 18.46           O  
-ATOM    637  CB  LEU A  86       4.085  12.859 -18.555  1.00 16.01           C  
-ATOM    638  CG  LEU A  86       4.479  11.856 -19.204  1.00 23.66           C  
-ATOM    639  CD1 LEU A  86       4.217  11.927 -20.682  1.00 40.43           C  
-ATOM    640  CD2 LEU A  86       6.063  11.399 -19.455  1.00 33.72           C  
-ATOM    641  N   HIS A  87       2.488  11.534 -16.185  1.00 12.17           N  
-ATOM    642  CA  HIS A  87       2.237  10.125 -15.649  1.00 12.85           C  
-ATOM    643  C   HIS A  87       0.524  10.055 -15.280  1.00 15.39           C  
-ATOM    644  O   HIS A  87       0.114   8.957 -15.394  1.00 15.03           O  
-ATOM    645  CB  HIS A  87       2.873  10.043 -14.177  1.00 13.63           C  
-ATOM    646  CG  HIS A  87       4.357   9.531 -14.510  1.00 14.91           C  
-ATOM    647  ND1 HIS A  87       5.315  10.638 -14.847  1.00 15.35           N  
-ATOM    648  CD2 HIS A  87       5.128   8.461 -14.450  1.00 17.85           C  
-ATOM    649  CE1 HIS A  87       6.425   9.938 -15.110  1.00 15.29           C  
-ATOM    650  NE2 HIS A  87       6.410   8.672 -14.776  1.00 15.64           N  
-ATOM    651  N   ALA A  88       0.070  11.240 -15.092  1.00 19.56           N  
-ATOM    652  CA  ALA A  88      -1.450  11.245 -14.731  1.00 16.45           C  
-ATOM    653  C   ALA A  88      -2.307  10.782 -16.164  1.00 28.29           C  
-ATOM    654  O   ALA A  88      -3.217  10.321 -15.884  1.00 25.27           O  
-ATOM    655  CB  ALA A  88      -1.985  12.408 -13.954  1.00 17.34           C  
-ATOM    656  N   HIS A  89      -1.856  11.542 -17.115  1.00 21.56           N  
-ATOM    657  CA  HIS A  89      -2.652  11.471 -18.284  1.00 29.42           C  
-ATOM    658  C   HIS A  89      -2.430  10.590 -19.375  1.00 27.17           C  
-ATOM    659  O   HIS A  89      -3.237   9.974 -20.183  1.00 22.35           O  
-ATOM    660  CB  HIS A  89      -2.855  12.836 -18.839  1.00 26.26           C  
-ATOM    661  CG  HIS A  89      -3.474  13.775 -17.933  1.00 44.45           C  
-ATOM    662  ND1 HIS A  89      -4.582  13.545 -17.082  1.00 45.59           N  
-ATOM    663  CD2 HIS A  89      -3.036  15.133 -17.376  1.00 45.61           C  
-ATOM    664  CE1 HIS A  89      -4.931  14.373 -15.965  1.00 42.72           C  
-ATOM    665  NE2 HIS A  89      -3.969  15.212 -16.507  1.00 43.49           N  
-ATOM    666  N   LYS A  90      -1.237  10.085 -19.553  1.00 18.65           N  
-ATOM    667  CA  LYS A  90      -0.701   9.212 -20.311  1.00 28.92           C  
-ATOM    668  C   LYS A  90      -0.235   7.836 -20.094  1.00 28.09           C  
-ATOM    669  O   LYS A  90      -0.814   6.865 -20.213  1.00 25.04           O  
-ATOM    670  CB  LYS A  90       0.483   9.973 -21.248  1.00 32.47           C  
-ATOM    671  CG  LYS A  90      -0.258  11.271 -22.102  1.00 49.97           C  
-ATOM    672  CD  LYS A  90      -1.161  11.150 -22.865  1.00 58.54           C  
-ATOM    673  CE  LYS A  90      -0.717  12.584 -23.928  1.00 66.22           C  
-ATOM    674  NZ  LYS A  90      -3.148  11.648 -24.501  1.00 63.54           N  
-ATOM    675  N   LEU A  91       0.684   7.834 -19.083  1.00 17.50           N  
-ATOM    676  CA  LEU A  91       1.357   6.678 -18.728  1.00 15.47           C  
-ATOM    677  C   LEU A  91       0.469   5.814 -17.729  1.00 18.54           C  
-ATOM    678  O   LEU A  91       0.360   4.623 -17.933  1.00 17.03           O  
-ATOM    679  CB  LEU A  91       2.810   6.867 -17.956  1.00 13.84           C  
-ATOM    680  CG  LEU A  91       3.828   7.564 -18.848  1.00 16.01           C  
-ATOM    681  CD1 LEU A  91       4.943   7.934 -18.256  1.00 18.27           C  
-ATOM    682  CD2 LEU A  91       3.998   6.811 -20.081  1.00 22.12           C  
-ATOM    683  N   ARG A  92      -0.013   6.544 -16.785  1.00 18.03           N  
-ATOM    684  CA  ARG A  92      -1.120   5.962 -15.831  1.00 14.41           C  
-ATOM    685  C   ARG A  92      -0.663   4.876 -15.136  1.00 15.84           C  
-ATOM    686  O   ARG A  92      -1.280   3.746 -14.964  1.00 17.92           O  
-ATOM    687  CB  ARG A  92      -2.457   5.762 -16.768  1.00 18.61           C  
-ATOM    688  CG  ARG A  92      -3.108   6.901 -17.068  1.00 25.14           C  
-ATOM    689  CD  ARG A  92      -3.735   6.578 -19.206  1.00 53.25           C  
-ATOM    690  NE  ARG A  92      -4.375   7.010 -18.108  1.00 51.61           N  
-ATOM    691  CZ  ARG A  92      -5.273   6.721 -20.498  1.00 59.18           C  
-ATOM    692  NH1 ARG A  92      -4.092   6.059 -21.138  1.00 31.30           N  
-ATOM    693  NH2 ARG A  92      -6.080   6.715 -20.222  1.00 36.70           N  
-ATOM    694  N   VAL A  93       0.444   4.876 -14.510  1.00 14.32           N  
-ATOM    695  CA  VAL A  93       1.119   3.933 -13.665  1.00 16.19           C  
-ATOM    696  C   VAL A  93       0.472   3.844 -12.448  1.00 13.83           C  
-ATOM    697  O   VAL A  93       0.272   4.879 -11.643  1.00 14.88           O  
-ATOM    698  CB  VAL A  93       2.564   4.273 -13.453  1.00 12.60           C  
-ATOM    699  CG1 VAL A  93       3.153   3.301 -12.513  1.00 15.68           C  
-ATOM    700  CG2 VAL A  93       3.314   4.342 -14.815  1.00 15.91           C  
-ATOM    701  N   ASP A  94       0.015   2.696 -11.867  1.00 14.66           N  
-ATOM    702  CA  ASP A  94      -0.813   2.633 -10.611  1.00 11.73           C  
-ATOM    703  C   ASP A  94       0.271   3.244  -9.468  1.00 12.54           C  
-ATOM    704  O   ASP A  94       1.339   2.859  -9.516  1.00 16.42           O  
-ATOM    705  CB  ASP A  94      -1.010   1.197 -10.262  1.00 12.92           C  
-ATOM    706  CG  ASP A  94      -1.972   1.228  -9.080  1.00 22.91           C  
-ATOM    707  OD1 ASP A  94      -3.187   1.146  -9.201  1.00 22.17           O  
-ATOM    708  OD2 ASP A  94      -1.457   1.316  -7.935  1.00 19.01           O  
-ATOM    709  N   PRO A  95      -0.249   3.901  -8.527  1.00 16.46           N  
-ATOM    710  CA  PRO A  95       0.567   4.636  -7.596  1.00 14.67           C  
-ATOM    711  C   PRO A  95       1.260   3.622  -6.816  1.00 17.74           C  
-ATOM    712  O   PRO A  95       2.400   4.046  -6.219  1.00 22.38           O  
-ATOM    713  CB  PRO A  95      -0.368   5.238  -6.654  1.00 22.16           C  
-ATOM    714  CG  PRO A  95      -1.377   5.777  -7.565  1.00 21.38           C  
-ATOM    715  CD  PRO A  95      -1.576   4.623  -8.536  1.00 20.78           C  
-ATOM    716  N   VAL A  96       0.927   2.374  -6.618  1.00 13.01           N  
-ATOM    717  CA  VAL A  96       1.730   1.539  -5.762  1.00 11.93           C  
-ATOM    718  C   VAL A  96       3.098   1.350  -6.142  1.00 21.27           C  
-ATOM    719  O   VAL A  96       4.069   1.031  -5.537  1.00 16.07           O  
-ATOM    720  CB  VAL A  96       0.857   0.099  -5.620  1.00 29.83           C  
-ATOM    721  CG1 VAL A  96       0.923  -0.687  -6.401  1.00 48.43           C  
-ATOM    722  CG2 VAL A  96       1.322  -0.240  -4.779  1.00 70.91           C  
-ATOM    723  N   ASN A  97       3.269   1.470  -7.559  1.00 15.63           N  
-ATOM    724  CA  ASN A  97       4.615   1.047  -8.098  1.00 10.10           C  
-ATOM    725  C   ASN A  97       5.675   2.262  -7.895  1.00  4.91           C  
-ATOM    726  O   ASN A  97       6.828   1.839  -7.860  1.00  9.67           O  
-ATOM    727  CB  ASN A  97       4.581   0.892  -9.670  1.00 13.43           C  
-ATOM    728  CG  ASN A  97       3.716  -0.282  -9.938  1.00 17.91           C  
-ATOM    729  OD1 ASN A  97       4.086  -1.378  -9.937  1.00 10.92           O  
-ATOM    730  ND2 ASN A  97       2.339   0.119 -10.294  1.00 21.96           N  
-ATOM    731  N   PHE A  98       5.251   3.390  -7.458  1.00  9.20           N  
-ATOM    732  CA  PHE A  98       6.132   4.482  -7.110  1.00 12.10           C  
-ATOM    733  C   PHE A  98       6.958   4.075  -5.773  1.00 12.02           C  
-ATOM    734  O   PHE A  98       8.240   4.323  -5.676  1.00 11.50           O  
-ATOM    735  CB  PHE A  98       5.590   5.923  -6.936  1.00 16.66           C  
-ATOM    736  CG  PHE A  98       5.051   6.336  -8.208  1.00 14.23           C  
-ATOM    737  CD1 PHE A  98       5.894   7.220  -8.806  1.00 16.70           C  
-ATOM    738  CD2 PHE A  98       3.842   5.962  -8.759  1.00 12.76           C  
-ATOM    739  CE1 PHE A  98       5.529   7.688  -9.904  1.00 23.57           C  
-ATOM    740  CE2 PHE A  98       3.513   6.440 -10.107  1.00 15.74           C  
-ATOM    741  CZ  PHE A  98       4.374   7.231 -10.516  1.00 17.50           C  
-ATOM    742  N   LYS A  99       6.362   3.356  -4.846  1.00 13.69           N  
-ATOM    743  CA  LYS A  99       7.109   2.770  -3.687  1.00 13.57           C  
-ATOM    744  C   LYS A  99       7.912   1.744  -3.941  1.00 14.35           C  
-ATOM    745  O   LYS A  99       9.044   1.864  -3.350  1.00 13.29           O  
-ATOM    746  CB  LYS A  99       5.909   2.378  -2.665  1.00 22.01           C  
-ATOM    747  CG  LYS A  99       5.016   2.967  -2.454  1.00 54.35           C  
-ATOM    748  CD  LYS A  99       4.488   3.000  -1.609  1.00 72.56           C  
-ATOM    749  CE  LYS A  99       2.959   1.795  -1.600  1.00 73.99           C  
-ATOM    750  NZ  LYS A  99       1.741   2.896  -0.134  1.00 80.12           N  
-ATOM    751  N   LEU A 100       7.785   1.013  -5.037  1.00  9.89           N  
-ATOM    752  CA  LEU A 100       8.665  -0.028  -5.354  1.00  8.80           C  
-ATOM    753  C   LEU A 100       9.884   0.546  -6.019  1.00  9.28           C  
-ATOM    754  O   LEU A 100      11.014   0.165  -5.616  1.00 12.09           O  
-ATOM    755  CB  LEU A 100       8.009  -1.084  -6.185  1.00 11.00           C  
-ATOM    756  CG  LEU A 100       6.724  -1.520  -5.691  1.00 16.83           C  
-ATOM    757  CD1 LEU A 100       6.069  -2.688  -6.703  1.00 20.94           C  
-ATOM    758  CD2 LEU A 100       7.065  -2.491  -4.548  1.00 18.49           C  
-ATOM    759  N   LEU A 101       9.812   1.484  -6.927  1.00  8.39           N  
-ATOM    760  CA  LEU A 101      10.986   2.076  -7.511  1.00 10.30           C  
-ATOM    761  C   LEU A 101      11.701   2.979  -6.551  1.00 14.49           C  
-ATOM    762  O   LEU A 101      12.986   2.948  -6.333  1.00 16.14           O  
-ATOM    763  CB  LEU A 101      10.485   2.971  -8.570  1.00 11.44           C  
-ATOM    764  CG  LEU A 101      11.708   3.704  -9.282  1.00 15.06           C  
-ATOM    765  CD1 LEU A 101      12.805   2.937  -9.771  1.00 17.72           C  
-ATOM    766  CD2 LEU A 101      11.060   4.651 -10.427  1.00 19.38           C  
-ATOM    767  N   SER A 102      11.019   3.662  -5.475  1.00 15.17           N  
-ATOM    768  CA  SER A 102      11.653   4.426  -4.454  1.00  9.19           C  
-ATOM    769  C   SER A 102      12.577   3.423  -3.620  1.00  9.91           C  
-ATOM    770  O   SER A 102      13.768   3.831  -3.267  1.00 14.07           O  
-ATOM    771  CB  SER A 102      10.597   5.003  -3.570  1.00 12.36           C  
-ATOM    772  OG  SER A 102       9.919   6.079  -4.248  1.00 16.52           O  
-ATOM    773  N   HIS A 103      12.034   2.275  -3.168  1.00 12.27           N  
-ATOM    774  CA  HIS A 103      12.685   1.217  -2.471  1.00 10.16           C  
-ATOM    775  C   HIS A 103      14.063   1.009  -3.068  1.00 13.13           C  
-ATOM    776  O   HIS A 103      15.226   0.862  -2.602  1.00 13.37           O  
-ATOM    777  CB  HIS A 103      11.949   0.073  -2.013  1.00 12.31           C  
-ATOM    778  CG  HIS A 103      12.674  -1.002  -1.380  1.00 10.33           C  
-ATOM    779  ND1 HIS A 103      12.899  -2.229  -2.007  1.00 10.01           N  
-ATOM    780  CD2 HIS A 103      13.318  -0.937  -0.179  1.00  9.56           C  
-ATOM    781  CE1 HIS A 103      13.687  -2.798  -1.043  1.00 12.63           C  
-ATOM    782  NE2 HIS A 103      14.053  -2.093   0.083  1.00 10.77           N  
-ATOM    783  N   CYS A 104      13.914   0.657  -4.439  1.00 11.06           N  
-ATOM    784  CA  CYS A 104      15.233   0.205  -5.307  1.00 11.72           C  
-ATOM    785  C   CYS A 104      16.049   1.418  -5.518  1.00  9.58           C  
-ATOM    786  O   CYS A 104      17.228   1.081  -5.567  1.00 14.10           O  
-ATOM    787  CB  CYS A 104      14.671  -0.439  -6.552  1.00 16.81           C  
-ATOM    788  SG  CYS A 104      13.797  -1.958  -6.414  1.00 14.76           S  
-ATOM    789  N   LEU A 105      15.618   2.594  -5.516  1.00  7.99           N  
-ATOM    790  CA  LEU A 105      16.723   3.634  -5.593  1.00 10.43           C  
-ATOM    791  C   LEU A 105      17.448   3.890  -4.202  1.00 11.96           C  
-ATOM    792  O   LEU A 105      18.594   3.985  -4.326  1.00 15.19           O  
-ATOM    793  CB  LEU A 105      15.765   4.895  -6.092  1.00 16.93           C  
-ATOM    794  CG  LEU A 105      15.765   5.438  -7.260  1.00 44.57           C  
-ATOM    795  CD1 LEU A 105      14.641   6.498  -7.442  1.00 40.98           C  
-ATOM    796  CD2 LEU A 105      16.687   5.564  -8.008  1.00 33.21           C  
-ATOM    797  N   LEU A 106      16.617   3.676  -3.143  1.00 10.40           N  
-ATOM    798  CA  LEU A 106      17.322   3.635  -1.869  1.00 15.02           C  
-ATOM    799  C   LEU A 106      18.190   2.641  -1.668  1.00 13.79           C  
-ATOM    800  O   LEU A 106      19.481   2.857  -1.263  1.00 13.12           O  
-ATOM    801  CB  LEU A 106      16.241   3.634  -0.757  1.00 16.59           C  
-ATOM    802  CG  LEU A 106      15.821   4.348   0.036  1.00 26.87           C  
-ATOM    803  CD1 LEU A 106      14.832   4.036   0.973  1.00 28.01           C  
-ATOM    804  CD2 LEU A 106      16.399   5.824   0.153  1.00 18.73           C  
-ATOM    805  N   VAL A 107      18.054   1.391  -2.126  1.00  9.58           N  
-ATOM    806  CA  VAL A 107      18.953   0.372  -2.172  1.00 10.69           C  
-ATOM    807  C   VAL A 107      20.116   0.640  -3.008  1.00 12.39           C  
-ATOM    808  O   VAL A 107      21.316   0.322  -2.651  1.00 13.09           O  
-ATOM    809  CB  VAL A 107      18.301  -0.968  -2.671  1.00 14.48           C  
-ATOM    810  CG1 VAL A 107      19.286  -1.955  -2.913  1.00 19.64           C  
-ATOM    811  CG2 VAL A 107      17.236  -1.532  -1.566  1.00 13.81           C  
-ATOM    812  N   THR A 108      19.963   1.288  -4.127  1.00 12.66           N  
-ATOM    813  CA  THR A 108      21.110   1.595  -5.027  1.00 11.04           C  
-ATOM    814  C   THR A 108      21.986   2.516  -4.350  1.00 11.25           C  
-ATOM    815  O   THR A 108      23.209   2.402  -4.407  1.00 13.68           O  
-ATOM    816  CB  THR A 108      20.373   2.089  -6.467  1.00  8.55           C  
-ATOM    817  OG1 THR A 108      19.740   1.009  -7.110  1.00  9.51           O  
-ATOM    818  CG2 THR A 108      21.547   2.322  -7.342  1.00 15.85           C  
-ATOM    819  N   LEU A 109      21.371   3.638  -3.771  1.00 11.20           N  
-ATOM    820  CA  LEU A 109      22.189   4.682  -3.080  1.00 12.61           C  
-ATOM    821  C   LEU A 109      23.015   3.976  -1.882  1.00 16.09           C  
-ATOM    822  O   LEU A 109      24.210   4.291  -1.739  1.00 14.60           O  
-ATOM    823  CB  LEU A 109      21.280   5.707  -2.657  1.00 17.08           C  
-ATOM    824  CG  LEU A 109      20.748   6.795  -3.713  1.00 24.50           C  
-ATOM    825  CD1 LEU A 109      19.679   7.424  -3.306  1.00 22.52           C  
-ATOM    826  CD2 LEU A 109      21.379   6.943  -4.782  1.00 32.08           C  
-ATOM    827  N   ALA A 110      22.243   3.090  -1.228  1.00 13.55           N  
-ATOM    828  CA  ALA A 110      22.985   2.551  -0.107  1.00 19.86           C  
-ATOM    829  C   ALA A 110      24.128   1.797  -0.396  1.00 18.59           C  
-ATOM    830  O   ALA A 110      25.285   1.654   0.094  1.00 14.76           O  
-ATOM    831  CB  ALA A 110      21.957   1.572   0.573  1.00 17.34           C  
-ATOM    832  N   ALA A 111      24.211   0.998  -1.558  1.00 15.15           N  
-ATOM    833  CA  ALA A 111      25.062   0.161  -2.216  1.00 13.42           C  
-ATOM    834  C   ALA A 111      26.376   1.017  -2.643  1.00 16.84           C  
-ATOM    835  O   ALA A 111      27.331   0.420  -2.883  1.00 21.50           O  
-ATOM    836  CB  ALA A 111      24.726  -0.813  -3.252  1.00 16.85           C  
-ATOM    837  N   HIS A 112      26.089   2.220  -3.063  1.00 17.71           N  
-ATOM    838  CA  HIS A 112      27.174   3.032  -3.686  1.00 25.83           C  
-ATOM    839  C   HIS A 112      27.556   4.174  -2.656  1.00 21.86           C  
-ATOM    840  O   HIS A 112      28.710   4.609  -3.162  1.00 23.07           O  
-ATOM    841  CB  HIS A 112      26.642   3.736  -5.093  1.00 17.12           C  
-ATOM    842  CG  HIS A 112      26.500   2.730  -6.083  1.00 18.91           C  
-ATOM    843  ND1 HIS A 112      27.696   2.669  -6.792  1.00 20.25           N  
-ATOM    844  CD2 HIS A 112      25.457   2.082  -6.643  1.00 13.97           C  
-ATOM    845  CE1 HIS A 112      27.065   1.572  -7.791  1.00 16.16           C  
-ATOM    846  NE2 HIS A 112      25.728   1.142  -7.624  1.00 16.17           N  
-ATOM    847  N   LEU A 113      26.962   4.473  -1.633  1.00 16.18           N  
-ATOM    848  CA  LEU A 113      27.430   5.708  -0.856  1.00 18.52           C  
-ATOM    849  C   LEU A 113      27.676   5.161   0.490  1.00 15.09           C  
-ATOM    850  O   LEU A 113      26.991   5.652   1.418  1.00 22.00           O  
-ATOM    851  CB  LEU A 113      26.385   6.569  -0.567  1.00 26.60           C  
-ATOM    852  CG  LEU A 113      25.991   7.546  -1.915  1.00 26.91           C  
-ATOM    853  CD1 LEU A 113      25.025   8.844  -1.799  1.00 38.78           C  
-ATOM    854  CD2 LEU A 113      27.117   7.882  -2.870  1.00 35.29           C  
-ATOM    855  N   PRO A 114      28.523   4.242   0.795  1.00 18.92           N  
-ATOM    856  CA  PRO A 114      28.714   3.528   2.218  1.00 24.61           C  
-ATOM    857  C   PRO A 114      29.102   4.799   3.218  1.00 23.92           C  
-ATOM    858  O   PRO A 114      28.415   4.826   4.106  1.00 21.99           O  
-ATOM    859  CB  PRO A 114      30.033   2.940   1.849  1.00 23.94           C  
-ATOM    860  CG  PRO A 114      30.698   3.344   0.612  1.00 18.92           C  
-ATOM    861  CD  PRO A 114      29.469   3.904  -0.168  1.00 16.59           C  
-ATOM    862  N   ALA A 115      29.794   5.877   2.767  1.00 18.42           N  
-ATOM    863  CA  ALA A 115      30.159   6.863   3.921  1.00 21.98           C  
-ATOM    864  C   ALA A 115      28.895   7.716   4.285  1.00 22.41           C  
-ATOM    865  O   ALA A 115      28.703   8.192   5.284  1.00 22.94           O  
-ATOM    866  CB  ALA A 115      31.247   7.657   3.369  1.00 30.20           C  
-ATOM    867  N   GLU A 116      28.136   8.035   3.290  1.00 15.58           N  
-ATOM    868  CA  GLU A 116      27.073   9.160   3.429  1.00 17.43           C  
-ATOM    869  C   GLU A 116      25.648   8.548   3.788  1.00 15.97           C  
-ATOM    870  O   GLU A 116      24.768   9.367   4.171  1.00 23.49           O  
-ATOM    871  CB  GLU A 116      26.875   9.750   1.910  1.00 21.21           C  
-ATOM    872  CG  GLU A 116      27.948  10.674   1.482  1.00 24.18           C  
-ATOM    873  CD  GLU A 116      28.950   9.665   0.967  1.00 26.12           C  
-ATOM    874  OE1 GLU A 116      28.992   8.438   0.543  1.00 28.16           O  
-ATOM    875  OE2 GLU A 116      30.132  10.301   0.462  1.00 33.82           O  
-ATOM    876  N   PHE A 117      25.414   7.310   3.661  1.00 16.62           N  
-ATOM    877  CA  PHE A 117      24.245   6.614   3.985  1.00 14.17           C  
-ATOM    878  C   PHE A 117      23.918   6.335   5.559  1.00 17.74           C  
-ATOM    879  O   PHE A 117      23.649   5.222   5.819  1.00 19.92           O  
-ATOM    880  CB  PHE A 117      23.936   5.421   3.086  1.00 12.47           C  
-ATOM    881  CG  PHE A 117      22.448   4.906   2.825  1.00  9.61           C  
-ATOM    882  CD1 PHE A 117      21.681   5.713   2.037  1.00 15.09           C  
-ATOM    883  CD2 PHE A 117      22.071   3.807   3.568  1.00 15.73           C  
-ATOM    884  CE1 PHE A 117      20.396   5.197   1.858  1.00 17.90           C  
-ATOM    885  CE2 PHE A 117      20.593   3.448   3.517  1.00 23.05           C  
-ATOM    886  CZ  PHE A 117      19.914   4.171   2.606  1.00 14.00           C  
-ATOM    887  N   THR A 118      23.856   7.434   6.252  1.00 11.56           N  
-ATOM    888  CA  THR A 118      23.660   7.280   7.655  1.00 10.93           C  
-ATOM    889  C   THR A 118      22.259   6.982   7.820  1.00 15.34           C  
-ATOM    890  O   THR A 118      21.447   7.435   7.051  1.00 14.33           O  
-ATOM    891  CB  THR A 118      23.982   8.621   8.138  1.00 22.78           C  
-ATOM    892  OG1 THR A 118      23.375   9.780   7.827  1.00 25.00           O  
-ATOM    893  CG2 THR A 118      25.586   8.842   8.226  1.00 25.00           C  
-ATOM    894  N   PRO A 119      21.833   6.884   9.086  1.00 16.93           N  
-ATOM    895  CA  PRO A 119      20.398   6.708   9.436  1.00  7.97           C  
-ATOM    896  C   PRO A 119      19.633   7.821   9.121  1.00  9.71           C  
-ATOM    897  O   PRO A 119      18.484   7.899   8.632  1.00 13.14           O  
-ATOM    898  CB  PRO A 119      20.352   6.336  10.909  1.00 15.02           C  
-ATOM    899  CG  PRO A 119      21.556   5.500  11.105  1.00 20.08           C  
-ATOM    900  CD  PRO A 119      22.686   6.188  10.125  1.00 23.85           C  
-ATOM    901  N   ALA A 120      20.184   9.026   9.484  1.00 18.30           N  
-ATOM    902  CA  ALA A 120      19.624  10.215   9.304  1.00 20.48           C  
-ATOM    903  C   ALA A 120      19.441  10.650   7.769  1.00 11.11           C  
-ATOM    904  O   ALA A 120      18.342  11.025   7.255  1.00 14.90           O  
-ATOM    905  CB  ALA A 120      20.042  11.527  10.014  1.00 21.25           C  
-ATOM    906  N   VAL A 121      20.278  10.312   7.027  1.00 15.02           N  
-ATOM    907  CA  VAL A 121      20.243  10.488   5.614  1.00 11.64           C  
-ATOM    908  C   VAL A 121      19.214   9.526   4.899  1.00 13.80           C  
-ATOM    909  O   VAL A 121      18.469   9.919   4.066  1.00 15.60           O  
-ATOM    910  CB  VAL A 121      21.606  10.473   4.939  1.00 16.28           C  
-ATOM    911  CG1 VAL A 121      21.595  10.524   3.309  1.00 17.80           C  
-ATOM    912  CG2 VAL A 121      22.496  11.659   5.330  1.00 19.30           C  
-ATOM    913  N   HIS A 122      19.312   8.350   5.306  1.00 15.45           N  
-ATOM    914  CA  HIS A 122      18.254   7.136   4.913  1.00 11.57           C  
-ATOM    915  C   HIS A 122      16.950   7.952   5.022  1.00 13.88           C  
-ATOM    916  O   HIS A 122      16.085   7.716   4.230  1.00 13.87           O  
-ATOM    917  CB  HIS A 122      18.754   5.950   5.667  1.00 12.36           C  
-ATOM    918  CG  HIS A 122      17.848   4.887   5.471  1.00 15.49           C  
-ATOM    919  ND1 HIS A 122      18.318   3.588   6.013  1.00 14.41           N  
-ATOM    920  CD2 HIS A 122      16.770   4.643   4.716  1.00 16.00           C  
-ATOM    921  CE1 HIS A 122      17.238   2.617   5.530  1.00 20.76           C  
-ATOM    922  NE2 HIS A 122      16.304   3.230   4.756  1.00 17.17           N  
-ATOM    923  N   ALA A 123      16.659   8.268   6.248  1.00 12.31           N  
-ATOM    924  CA  ALA A 123      15.409   8.791   6.637  1.00 12.34           C  
-ATOM    925  C   ALA A 123      14.961   9.969   5.694  1.00 12.36           C  
-ATOM    926  O   ALA A 123      13.756  10.012   5.125  1.00 16.22           O  
-ATOM    927  CB  ALA A 123      15.295   9.229   8.074  1.00 18.20           C  
-ATOM    928  N   SER A 124      15.970  10.909   5.411  1.00 11.72           N  
-ATOM    929  CA  SER A 124      15.641  12.024   4.678  1.00 15.71           C  
-ATOM    930  C   SER A 124      15.409  11.594   3.146  1.00 11.97           C  
-ATOM    931  O   SER A 124      14.491  12.176   2.530  1.00 13.78           O  
-ATOM    932  CB  SER A 124      16.719  13.075   4.649  1.00 17.31           C  
-ATOM    933  OG  SER A 124      16.856  13.618   5.975  1.00 19.36           O  
-ATOM    934  N   LEU A 125      16.244  10.663   2.745  1.00 11.45           N  
-ATOM    935  CA  LEU A 125      16.012  10.336   1.348  1.00  9.77           C  
-ATOM    936  C   LEU A 125      14.814   9.607   1.165  1.00 13.87           C  
-ATOM    937  O   LEU A 125      14.134   9.697   0.072  1.00 12.03           O  
-ATOM    938  CB  LEU A 125      17.131   9.446   0.945  1.00 14.61           C  
-ATOM    939  CG  LEU A 125      18.555   9.965   0.565  1.00 15.39           C  
-ATOM    940  CD1 LEU A 125      19.590   8.976   0.528  1.00 26.84           C  
-ATOM    941  CD2 LEU A 125      18.455  10.851  -0.577  1.00 19.46           C  
-ATOM    942  N   ASP A 126      14.277   8.735   2.034  1.00 13.89           N  
-ATOM    943  CA  ASP A 126      13.042   7.997   2.040  1.00 14.28           C  
-ATOM    944  C   ASP A 126      11.977   8.930   1.898  1.00 13.60           C  
-ATOM    945  O   ASP A 126      10.911   8.959   1.188  1.00 12.25           O  
-ATOM    946  CB  ASP A 126      12.901   7.025   3.127  1.00  9.77           C  
-ATOM    947  CG  ASP A 126      11.751   5.958   3.086  1.00 17.51           C  
-ATOM    948  OD1 ASP A 126      11.597   5.517   1.933  1.00 22.67           O  
-ATOM    949  OD2 ASP A 126      10.812   6.013   3.738  1.00 20.83           O  
-ATOM    950  N   LYS A 127      11.945  10.077   2.732  1.00 11.87           N  
-ATOM    951  CA  LYS A 127      11.051  11.143   2.756  1.00 11.94           C  
-ATOM    952  C   LYS A 127      11.080  11.794   1.382  1.00 16.34           C  
-ATOM    953  O   LYS A 127       9.925  12.173   0.922  1.00 15.26           O  
-ATOM    954  CB  LYS A 127      11.131  11.830   4.210  1.00 27.23           C  
-ATOM    955  CG  LYS A 127      10.719  12.405   4.298  1.00 41.38           C  
-ATOM    956  CD  LYS A 127      10.893  12.716   6.240  1.00 22.35           C  
-ATOM    957  CE  LYS A 127      10.245  13.990   6.093  1.00 24.85           C  
-ATOM    958  NZ  LYS A 127      10.431  14.893   7.319  1.00 27.43           N  
-ATOM    959  N   PHE A 128      12.109  12.155   0.978  1.00  9.60           N  
-ATOM    960  CA  PHE A 128      12.219  12.896  -0.315  1.00  9.45           C  
-ATOM    961  C   PHE A 128      11.648  12.055  -1.437  1.00 11.35           C  
-ATOM    962  O   PHE A 128      10.825  12.624  -2.222  1.00 13.72           O  
-ATOM    963  CB  PHE A 128      13.691  13.118  -0.597  1.00 10.04           C  
-ATOM    964  CG  PHE A 128      13.845  13.645  -2.016  1.00 12.71           C  
-ATOM    965  CD1 PHE A 128      13.433  15.022  -2.350  1.00 22.47           C  
-ATOM    966  CD2 PHE A 128      14.442  12.953  -2.821  1.00 15.10           C  
-ATOM    967  CE1 PHE A 128      13.646  15.369  -3.684  1.00 21.90           C  
-ATOM    968  CE2 PHE A 128      15.006  13.229  -4.197  1.00 24.41           C  
-ATOM    969  CZ  PHE A 128      14.491  14.511  -4.397  1.00 19.00           C  
-ATOM    970  N   LEU A 129      11.863  10.701  -1.438  1.00 10.92           N  
-ATOM    971  CA  LEU A 129      11.247   9.983  -2.588  1.00  8.59           C  
-ATOM    972  C   LEU A 129       9.888   9.762  -2.445  1.00 15.58           C  
-ATOM    973  O   LEU A 129       9.123   9.780  -3.420  1.00 12.33           O  
-ATOM    974  CB  LEU A 129      11.971   8.639  -2.709  1.00 11.08           C  
-ATOM    975  CG  LEU A 129      13.553   8.574  -3.067  1.00 16.43           C  
-ATOM    976  CD1 LEU A 129      14.162   7.385  -2.920  1.00 21.21           C  
-ATOM    977  CD2 LEU A 129      13.509   9.197  -4.648  1.00 24.11           C  
-ATOM    978  N   ALA A 130       9.315   9.777  -1.285  1.00 13.59           N  
-ATOM    979  CA  ALA A 130       7.861   9.751  -0.992  1.00 12.80           C  
-ATOM    980  C   ALA A 130       7.198  11.000  -1.487  1.00 13.10           C  
-ATOM    981  O   ALA A 130       6.124  11.123  -2.087  1.00 16.72           O  
-ATOM    982  CB  ALA A 130       7.566   9.549   0.507  1.00 11.70           C  
-ATOM    983  N   SER A 131       7.929  12.205  -1.316  1.00 12.15           N  
-ATOM    984  CA  SER A 131       7.318  13.421  -1.788  1.00 17.97           C  
-ATOM    985  C   SER A 131       7.403  13.484  -3.383  1.00 14.23           C  
-ATOM    986  O   SER A 131       6.313  14.078  -3.819  1.00 17.89           O  
-ATOM    987  CB  SER A 131       8.230  14.652  -1.217  1.00 19.09           C  
-ATOM    988  OG  SER A 131       7.985  14.599  -0.027  1.00 34.89           O  
-ATOM    989  N   VAL A 132       8.509  13.092  -3.817  1.00 11.02           N  
-ATOM    990  CA  VAL A 132       8.474  13.187  -5.332  1.00 13.44           C  
-ATOM    991  C   VAL A 132       7.379  12.239  -5.739  1.00 13.26           C  
-ATOM    992  O   VAL A 132       6.574  12.766  -6.727  1.00 14.28           O  
-ATOM    993  CB  VAL A 132       9.676  12.669  -5.775  1.00 17.47           C  
-ATOM    994  CG1 VAL A 132       9.886  12.366  -7.268  1.00 23.96           C  
-ATOM    995  CG2 VAL A 132      10.893  13.605  -5.556  1.00 15.24           C  
-ATOM    996  N   SER A 133       7.084  11.034  -5.279  1.00 11.44           N  
-ATOM    997  CA  SER A 133       6.003  10.145  -5.616  1.00 14.28           C  
-ATOM    998  C   SER A 133       4.653  10.824  -5.346  1.00 22.70           C  
-ATOM    999  O   SER A 133       3.857  10.661  -6.312  1.00 18.73           O  
-ATOM   1000  CB  SER A 133       6.206   8.913  -4.797  1.00 14.07           C  
-ATOM   1001  OG  SER A 133       7.326   8.157  -5.136  1.00 16.41           O  
-ATOM   1002  N   THR A 134       4.415  11.603  -4.390  1.00 14.75           N  
-ATOM   1003  CA  THR A 134       3.185  12.188  -4.293  1.00 11.93           C  
-ATOM   1004  C   THR A 134       3.018  13.180  -5.135  1.00 12.33           C  
-ATOM   1005  O   THR A 134       1.906  13.411  -5.657  1.00 15.87           O  
-ATOM   1006  CB  THR A 134       3.337  12.691  -2.840  1.00 23.98           C  
-ATOM   1007  OG1 THR A 134       3.226  11.963  -1.926  1.00 24.65           O  
-ATOM   1008  CG2 THR A 134       2.127  13.740  -2.527  1.00 35.48           C  
-ATOM   1009  N   VAL A 135       3.914  14.063  -5.633  1.00 16.85           N  
-ATOM   1010  CA  VAL A 135       3.773  15.122  -6.561  1.00 15.02           C  
-ATOM   1011  C   VAL A 135       3.692  14.401  -7.901  1.00 18.49           C  
-ATOM   1012  O   VAL A 135       2.676  14.854  -8.623  1.00 17.84           O  
-ATOM   1013  CB  VAL A 135       5.097  16.044  -6.643  1.00 21.41           C  
-ATOM   1014  CG1 VAL A 135       5.125  16.829  -7.908  1.00 28.88           C  
-ATOM   1015  CG2 VAL A 135       5.265  16.767  -5.381  1.00 18.54           C  
-ATOM   1016  N   LEU A 136       4.254  13.322  -8.291  1.00 15.13           N  
-ATOM   1017  CA  LEU A 136       3.951  12.616  -9.538  1.00 14.14           C  
-ATOM   1018  C   LEU A 136       2.480  12.083  -9.717  1.00 16.82           C  
-ATOM   1019  O   LEU A 136       2.071  11.725 -10.914  1.00 16.56           O  
-ATOM   1020  CB  LEU A 136       5.082  11.671  -9.878  1.00 19.05           C  
-ATOM   1021  CG  LEU A 136       6.468  12.174 -10.486  1.00 19.99           C  
-ATOM   1022  CD1 LEU A 136       7.357  11.046 -10.401  1.00 23.33           C  
-ATOM   1023  CD2 LEU A 136       6.502  13.371 -11.272  1.00 20.84           C  
-ATOM   1024  N   THR A 137       1.951  11.790  -8.618  1.00 14.14           N  
-ATOM   1025  CA  THR A 137       0.509  10.996  -8.584  1.00 17.11           C  
-ATOM   1026  C   THR A 137      -0.385  12.070  -8.267  1.00 15.43           C  
-ATOM   1027  O   THR A 137      -1.637  11.700  -8.230  1.00 15.99           O  
-ATOM   1028  CB  THR A 137       0.560   9.964  -6.978  1.00 17.27           C  
-ATOM   1029  OG1 THR A 137       1.278   8.939  -8.074  1.00 28.37           O  
-ATOM   1030  CG2 THR A 137       1.320  10.263  -6.388  1.00 47.04           C  
-ATOM   1031  N   SER A 138      -0.164  13.266  -8.168  1.00 16.91           N  
-ATOM   1032  CA  SER A 138      -0.947  14.363  -7.753  1.00 23.51           C  
-ATOM   1033  C   SER A 138      -2.266  14.743  -8.597  1.00 23.60           C  
-ATOM   1034  O   SER A 138      -3.250  14.937  -8.017  1.00 27.80           O  
-ATOM   1035  CB  SER A 138       0.046  16.222  -7.976  1.00 22.76           C  
-ATOM   1036  OG  SER A 138      -0.261  15.617  -6.862  1.00 45.85           O  
-ATOM   1037  N   LYS A 139      -2.026  14.453  -9.807  1.00 19.13           N  
-ATOM   1038  CA  LYS A 139      -3.058  14.995 -10.892  1.00 21.43           C  
-ATOM   1039  C   LYS A 139      -3.804  13.721 -11.284  1.00 18.35           C  
-ATOM   1040  O   LYS A 139      -4.384  13.814 -12.266  1.00 22.16           O  
-ATOM   1041  CB  LYS A 139      -2.474  15.794 -11.975  1.00 24.13           C  
-ATOM   1042  CG  LYS A 139      -1.839  16.973 -11.481  1.00 28.98           C  
-ATOM   1043  CD  LYS A 139      -0.886  17.619 -12.549  1.00 33.18           C  
-ATOM   1044  CE  LYS A 139      -0.495  18.885 -12.192  1.00 52.82           C  
-ATOM   1045  NZ  LYS A 139       0.788  19.253 -13.621  1.00 55.02           N  
-ATOM   1046  N   TYR A 140      -3.715  12.530 -10.777  1.00 17.12           N  
-ATOM   1047  CA  TYR A 140      -4.275  11.374 -11.162  1.00 22.48           C  
-ATOM   1048  C   TYR A 140      -5.830  11.291 -11.160  1.00 18.75           C  
-ATOM   1049  O   TYR A 140      -6.423  10.704 -12.162  1.00 22.47           O  
-ATOM   1050  CB  TYR A 140      -3.896  10.028 -10.426  1.00 23.15           C  
-ATOM   1051  CG  TYR A 140      -2.655   9.444 -11.006  1.00 15.57           C  
-ATOM   1052  CD1 TYR A 140      -2.495   7.940 -11.096  1.00 16.98           C  
-ATOM   1053  CD2 TYR A 140      -1.471  10.093 -11.392  1.00 18.11           C  
-ATOM   1054  CE1 TYR A 140      -1.296   7.400 -11.625  1.00 19.97           C  
-ATOM   1055  CE2 TYR A 140      -0.267   9.379 -11.806  1.00 14.94           C  
-ATOM   1056  CZ  TYR A 140      -0.246   7.948 -11.911  1.00 17.89           C  
-ATOM   1057  OH  TYR A 140       0.808   7.493 -12.283  1.00 18.05           O  
-ATOM   1058  N   ARG A 141      -6.399  12.034 -10.391  1.00 17.59           N  
-ATOM   1059  CA  ARG A 141      -8.000  12.137 -10.191  1.00 24.58           C  
-ATOM   1060  C   ARG A 141      -8.327  13.610  -9.572  1.00 44.44           C  
-ATOM   1061  O   ARG A 141      -7.492  14.016  -8.882  1.00 21.81           O  
-ATOM   1062  CB  ARG A 141      -8.478  10.914  -9.869  1.00 33.40           C  
-ATOM   1063  CG  ARG A 141      -8.068  10.650  -8.145  1.00 17.28           C  
-ATOM   1064  CD  ARG A 141      -9.053   9.446  -7.867  1.00 14.66           C  
-ATOM   1065  NE  ARG A 141      -8.372   9.269  -6.610  1.00 22.73           N  
-ATOM   1066  CZ  ARG A 141      -9.233   8.420  -5.781  1.00 26.88           C  
-ATOM   1067  NH1 ARG A 141     -10.147   7.455  -6.079  1.00 23.24           N  
-ATOM   1068  NH2 ARG A 141      -8.672   8.328  -4.506  1.00 33.34           N  
-ATOM   1069  OXT ARG A 141      -9.474  13.682  -9.742  1.00 31.52           O  
-TER    1070      ARG A 141                                                      
-ATOM   1071  N   VAL B   1       9.223 -20.614   1.365  1.00 46.08           N  
-ATOM   1072  CA  VAL B   1       8.694 -20.026  -0.123  1.00 70.96           C  
-ATOM   1073  C   VAL B   1       9.668 -21.068  -1.645  1.00 69.74           C  
-ATOM   1074  O   VAL B   1       9.370 -22.612  -0.994  1.00 71.82           O  
-ATOM   1075  CB  VAL B   1       9.283 -18.281  -0.381  1.00 59.18           C  
-ATOM   1076  CG1 VAL B   1       7.449 -17.518  -0.791  1.00 57.89           C  
-ATOM   1077  CG2 VAL B   1      10.416 -18.038   0.066  1.00 44.20           C  
-ATOM   1078  N   HIS B   2       9.270 -20.650  -2.180  1.00 53.55           N  
-ATOM   1079  CA  HIS B   2      10.245 -21.378  -3.143  1.00 62.62           C  
-ATOM   1080  C   HIS B   2      11.419 -20.331  -4.099  1.00 51.71           C  
-ATOM   1081  O   HIS B   2      11.252 -19.250  -5.024  1.00 48.42           O  
-ATOM   1082  CB  HIS B   2       9.225 -20.955  -4.825  1.00 62.58           C  
-ATOM   1083  CG  HIS B   2       9.378 -21.082  -5.634  1.00 73.96           C  
-ATOM   1084  ND1 HIS B   2       9.645 -19.683  -6.869  1.00 80.12           N  
-ATOM   1085  CD2 HIS B   2      10.077 -22.950  -6.116  1.00 63.02           C  
-ATOM   1086  CE1 HIS B   2      10.672 -21.165  -8.087  1.00 76.40           C  
-ATOM   1087  NE2 HIS B   2      11.344 -22.584  -7.734  1.00 62.86           N  
-ATOM   1088  N   LEU B   3      12.365 -20.722  -3.649  1.00 43.89           N  
-ATOM   1089  CA  LEU B   3      13.611 -20.183  -4.477  1.00 43.79           C  
-ATOM   1090  C   LEU B   3      14.557 -21.356  -5.125  1.00 32.77           C  
-ATOM   1091  O   LEU B   3      14.340 -22.536  -4.780  1.00 41.84           O  
-ATOM   1092  CB  LEU B   3      14.522 -19.852  -2.996  1.00 28.80           C  
-ATOM   1093  CG  LEU B   3      13.980 -18.598  -2.183  1.00 28.70           C  
-ATOM   1094  CD1 LEU B   3      14.846 -18.445  -1.199  1.00 63.39           C  
-ATOM   1095  CD2 LEU B   3      14.509 -17.517  -3.001  1.00 32.10           C  
-ATOM   1096  N   THR B   4      14.840 -20.756  -6.280  1.00 42.35           N  
-ATOM   1097  CA  THR B   4      15.864 -21.825  -6.744  1.00 41.74           C  
-ATOM   1098  C   THR B   4      16.873 -22.187  -6.071  1.00 36.91           C  
-ATOM   1099  O   THR B   4      17.370 -21.395  -5.237  1.00 31.57           O  
-ATOM   1100  CB  THR B   4      15.949 -21.050  -8.090  1.00 38.91           C  
-ATOM   1101  OG1 THR B   4      16.952 -20.015  -8.082  1.00 52.85           O  
-ATOM   1102  CG2 THR B   4      14.967 -20.467  -9.056  1.00 56.94           C  
-ATOM   1103  N   PRO B   5      17.854 -23.111  -6.524  1.00 45.56           N  
-ATOM   1104  CA  PRO B   5      18.731 -23.731  -6.023  1.00 47.54           C  
-ATOM   1105  C   PRO B   5      19.935 -22.444  -5.760  1.00 37.80           C  
-ATOM   1106  O   PRO B   5      20.658 -22.372  -4.793  1.00 33.06           O  
-ATOM   1107  CB  PRO B   5      19.534 -24.900  -6.291  1.00 62.12           C  
-ATOM   1108  CG  PRO B   5      18.296 -25.318  -7.157  1.00 42.55           C  
-ATOM   1109  CD  PRO B   5      17.186 -24.560  -7.385  1.00 48.08           C  
-ATOM   1110  N   GLU B   6      19.819 -21.815  -6.978  1.00 27.00           N  
-ATOM   1111  CA  GLU B   6      20.898 -20.991  -7.230  1.00 34.37           C  
-ATOM   1112  C   GLU B   6      20.521 -19.635  -6.155  1.00 23.02           C  
-ATOM   1113  O   GLU B   6      21.687 -18.920  -5.617  1.00 28.54           O  
-ATOM   1114  CB  GLU B   6      20.842 -20.165  -8.661  1.00 37.20           C  
-ATOM   1115  CG  GLU B   6      20.141 -19.957  -9.396  1.00 66.65           C  
-ATOM   1116  CD  GLU B   6      19.153 -21.597 -10.181  1.00 60.44           C  
-ATOM   1117  OE1 GLU B   6      20.183 -22.830  -9.731  1.00 63.16           O  
-ATOM   1118  OE2 GLU B   6      18.299 -21.975 -10.007  1.00 70.62           O  
-ATOM   1119  N   GLU B   7      19.362 -19.413  -5.964  1.00 31.47           N  
-ATOM   1120  CA  GLU B   7      18.560 -18.284  -5.124  1.00 34.08           C  
-ATOM   1121  C   GLU B   7      19.160 -18.789  -3.682  1.00 21.49           C  
-ATOM   1122  O   GLU B   7      19.620 -17.847  -3.008  1.00 27.04           O  
-ATOM   1123  CB  GLU B   7      17.625 -18.097  -5.359  1.00 35.55           C  
-ATOM   1124  CG  GLU B   7      17.103 -17.196  -6.791  1.00 33.74           C  
-ATOM   1125  CD  GLU B   7      15.759 -16.911  -6.659  1.00 31.89           C  
-ATOM   1126  OE1 GLU B   7      15.476 -15.756  -7.225  1.00 52.51           O  
-ATOM   1127  OE2 GLU B   7      14.748 -17.803  -6.419  1.00 32.56           O  
-ATOM   1128  N   LYS B   8      18.747 -19.865  -3.237  1.00 26.08           N  
-ATOM   1129  CA  LYS B   8      19.026 -20.305  -2.016  1.00 32.23           C  
-ATOM   1130  C   LYS B   8      20.466 -20.216  -1.796  1.00 26.59           C  
-ATOM   1131  O   LYS B   8      21.162 -19.731  -0.601  1.00 26.11           O  
-ATOM   1132  CB  LYS B   8      18.395 -21.925  -1.875  1.00 36.34           C  
-ATOM   1133  CG  LYS B   8      18.802 -22.252  -1.182  1.00 64.20           C  
-ATOM   1134  CD  LYS B   8      18.769 -23.771  -0.248  1.00 73.64           C  
-ATOM   1135  CE  LYS B   8      19.461 -24.137   0.849  1.00 79.30           C  
-ATOM   1136  NZ  LYS B   8      19.874 -26.365   1.034  1.00 66.73           N  
-ATOM   1137  N   SER B   9      21.467 -20.675  -2.533  1.00 23.88           N  
-ATOM   1138  CA  SER B   9      22.559 -20.677  -2.426  1.00 36.76           C  
-ATOM   1139  C   SER B   9      23.490 -19.070  -2.230  1.00 37.61           C  
-ATOM   1140  O   SER B   9      24.284 -18.831  -1.430  1.00 28.84           O  
-ATOM   1141  CB  SER B   9      23.619 -21.853  -3.256  1.00 36.63           C  
-ATOM   1142  OG  SER B   9      23.958 -20.627  -4.033  1.00 64.02           O  
-ATOM   1143  N   ALA B  10      22.719 -18.196  -3.034  1.00 21.54           N  
-ATOM   1144  CA  ALA B  10      23.262 -17.029  -2.963  1.00 32.77           C  
-ATOM   1145  C   ALA B  10      22.792 -16.202  -1.459  1.00 23.64           C  
-ATOM   1146  O   ALA B  10      23.628 -15.408  -0.898  1.00 26.26           O  
-ATOM   1147  CB  ALA B  10      22.504 -16.176  -3.856  1.00 30.88           C  
-ATOM   1148  N   VAL B  11      21.589 -16.575  -0.940  1.00 22.75           N  
-ATOM   1149  CA  VAL B  11      21.174 -16.108   0.417  1.00 18.12           C  
-ATOM   1150  C   VAL B  11      22.242 -16.512   1.434  1.00 18.13           C  
-ATOM   1151  O   VAL B  11      22.655 -15.680   2.245  1.00 19.40           O  
-ATOM   1152  CB  VAL B  11      19.853 -16.542   0.518  1.00 19.48           C  
-ATOM   1153  CG1 VAL B  11      19.403 -16.415   1.946  1.00 26.15           C  
-ATOM   1154  CG2 VAL B  11      18.815 -15.702  -0.276  1.00 23.37           C  
-ATOM   1155  N   THR B  12      22.386 -17.775   1.358  1.00 19.01           N  
-ATOM   1156  CA  THR B  12      23.153 -18.592   2.377  1.00 25.04           C  
-ATOM   1157  C   THR B  12      24.569 -18.098   2.437  1.00 20.68           C  
-ATOM   1158  O   THR B  12      25.254 -17.692   3.335  1.00 23.87           O  
-ATOM   1159  CB  THR B  12      23.196 -20.284   2.185  1.00 42.63           C  
-ATOM   1160  OG1 THR B  12      22.010 -20.433   2.444  1.00 42.78           O  
-ATOM   1161  CG2 THR B  12      23.729 -20.348   1.974  1.00 67.38           C  
-ATOM   1162  N   ALA B  13      25.190 -17.913   1.267  1.00 22.79           N  
-ATOM   1163  CA  ALA B  13      26.401 -17.387   1.166  1.00 26.66           C  
-ATOM   1164  C   ALA B  13      26.828 -16.135   1.582  1.00 26.26           C  
-ATOM   1165  O   ALA B  13      27.614 -15.809   2.378  1.00 27.07           O  
-ATOM   1166  CB  ALA B  13      26.857 -17.378  -0.445  1.00 26.35           C  
-ATOM   1167  N   LEU B  14      25.928 -14.999   1.236  1.00 15.70           N  
-ATOM   1168  CA  LEU B  14      26.092 -13.737   1.994  1.00 15.10           C  
-ATOM   1169  C   LEU B  14      25.996 -13.791   3.419  1.00 17.25           C  
-ATOM   1170  O   LEU B  14      26.440 -13.013   4.127  1.00 15.43           O  
-ATOM   1171  CB  LEU B  14      25.023 -12.816   1.145  1.00 16.82           C  
-ATOM   1172  CG  LEU B  14      25.284 -11.388   1.257  1.00 27.27           C  
-ATOM   1173  CD1 LEU B  14      26.470 -10.984   0.911  1.00 40.43           C  
-ATOM   1174  CD2 LEU B  14      23.923 -10.655   1.151  1.00 24.81           C  
-ATOM   1175  N   TRP B  15      24.847 -14.542   3.847  1.00 17.75           N  
-ATOM   1176  CA  TRP B  15      24.543 -14.533   5.293  1.00 20.73           C  
-ATOM   1177  C   TRP B  15      25.779 -15.040   6.144  1.00 17.66           C  
-ATOM   1178  O   TRP B  15      25.791 -14.500   7.295  1.00 18.75           O  
-ATOM   1179  CB  TRP B  15      23.337 -15.255   5.477  1.00 17.11           C  
-ATOM   1180  CG  TRP B  15      22.785 -14.972   6.964  1.00 17.91           C  
-ATOM   1181  CD1 TRP B  15      22.809 -15.647   8.020  1.00 21.87           C  
-ATOM   1182  CD2 TRP B  15      21.992 -13.854   7.213  1.00 17.58           C  
-ATOM   1183  NE1 TRP B  15      22.135 -15.153   9.079  1.00 18.04           N  
-ATOM   1184  CE2 TRP B  15      21.659 -13.824   8.669  1.00 16.29           C  
-ATOM   1185  CE3 TRP B  15      21.610 -12.684   6.475  1.00 16.29           C  
-ATOM   1186  CZ2 TRP B  15      20.847 -12.810   9.252  1.00 25.87           C  
-ATOM   1187  CZ3 TRP B  15      20.839 -11.689   7.176  1.00 17.96           C  
-ATOM   1188  CH2 TRP B  15      20.450 -11.898   8.453  1.00 24.12           C  
-ATOM   1189  N   GLY B  16      26.491 -15.885   5.456  1.00 18.59           N  
-ATOM   1190  CA  GLY B  16      27.793 -16.367   6.203  1.00 18.72           C  
-ATOM   1191  C   GLY B  16      28.640 -15.293   6.479  1.00 24.14           C  
-ATOM   1192  O   GLY B  16      29.526 -15.462   7.418  1.00 24.08           O  
-ATOM   1193  N   LYS B  17      28.533 -14.214   5.902  1.00 16.20           N  
-ATOM   1194  CA  LYS B  17      29.341 -13.100   6.055  1.00 17.17           C  
-ATOM   1195  C   LYS B  17      28.732 -12.165   6.877  1.00 17.84           C  
-ATOM   1196  O   LYS B  17      29.459 -11.044   7.345  1.00 23.03           O  
-ATOM   1197  CB  LYS B  17      29.636 -12.212   4.866  1.00 27.63           C  
-ATOM   1198  CG  LYS B  17      30.260 -13.332   3.793  1.00 26.84           C  
-ATOM   1199  CD  LYS B  17      30.681 -12.758   2.663  1.00 36.92           C  
-ATOM   1200  CE  LYS B  17      31.201 -13.748   1.394  1.00 48.09           C  
-ATOM   1201  NZ  LYS B  17      31.749 -12.471   0.760  1.00 51.60           N  
-ATOM   1202  N   VAL B  18      27.632 -12.163   7.561  1.00 19.79           N  
-ATOM   1203  CA  VAL B  18      26.839 -11.228   8.296  1.00 15.59           C  
-ATOM   1204  C   VAL B  18      27.221 -11.355   9.806  1.00 24.20           C  
-ATOM   1205  O   VAL B  18      27.181 -12.396  10.461  1.00 22.49           O  
-ATOM   1206  CB  VAL B  18      25.375 -11.611   8.249  1.00 13.43           C  
-ATOM   1207  CG1 VAL B  18      24.680 -10.797   9.203  1.00 20.38           C  
-ATOM   1208  CG2 VAL B  18      25.124 -10.816   6.753  1.00 25.54           C  
-ATOM   1209  N   ASN B  19      27.508 -10.243  10.525  1.00 20.52           N  
-ATOM   1210  CA  ASN B  19      27.647 -10.334  12.056  1.00 15.58           C  
-ATOM   1211  C   ASN B  19      26.161 -10.008  12.553  1.00 13.56           C  
-ATOM   1212  O   ASN B  19      25.706  -8.798  12.411  1.00 14.77           O  
-ATOM   1213  CB  ASN B  19      28.532  -9.065  12.579  1.00 26.08           C  
-ATOM   1214  CG  ASN B  19      28.340  -8.916  14.065  1.00 29.11           C  
-ATOM   1215  OD1 ASN B  19      27.732  -9.412  14.784  1.00 27.77           O  
-ATOM   1216  ND2 ASN B  19      29.702  -8.401  14.383  1.00 33.88           N  
-ATOM   1217  N   VAL B  20      25.621 -11.024  13.009  1.00 18.83           N  
-ATOM   1218  CA  VAL B  20      24.087 -11.031  13.284  1.00 19.05           C  
-ATOM   1219  C   VAL B  20      23.851 -10.149  14.214  1.00 20.02           C  
-ATOM   1220  O   VAL B  20      22.901  -9.142  14.245  1.00 17.50           O  
-ATOM   1221  CB  VAL B  20      23.694 -12.517  13.598  1.00 25.16           C  
-ATOM   1222  CG1 VAL B  20      22.215 -12.356  13.912  1.00 29.32           C  
-ATOM   1223  CG2 VAL B  20      23.748 -13.338  12.333  1.00 21.26           C  
-ATOM   1224  N   ASP B  21      24.547  -9.725  15.239  1.00 19.64           N  
-ATOM   1225  CA  ASP B  21      24.274  -8.816  16.395  1.00 20.67           C  
-ATOM   1226  C   ASP B  21      24.562  -7.492  15.870  1.00 18.97           C  
-ATOM   1227  O   ASP B  21      23.606  -6.622  16.080  1.00 21.29           O  
-ATOM   1228  CB  ASP B  21      25.312  -9.108  17.415  1.00 34.10           C  
-ATOM   1229  CG  ASP B  21      25.029 -10.570  18.492  1.00 53.28           C  
-ATOM   1230  OD1 ASP B  21      23.848 -10.805  18.323  1.00 40.86           O  
-ATOM   1231  OD2 ASP B  21      25.861 -10.240  19.644  1.00 50.69           O  
-ATOM   1232  N   GLU B  22      25.464  -7.225  14.999  1.00 17.77           N  
-ATOM   1233  CA  GLU B  22      25.739  -5.702  14.538  1.00 21.32           C  
-ATOM   1234  C   GLU B  22      24.523  -5.287  13.546  1.00 17.53           C  
-ATOM   1235  O   GLU B  22      23.957  -4.290  13.703  1.00 21.51           O  
-ATOM   1236  CB  GLU B  22      27.018  -5.846  13.812  1.00 24.38           C  
-ATOM   1237  CG  GLU B  22      27.214  -4.730  13.144  1.00 38.60           C  
-ATOM   1238  CD  GLU B  22      28.169  -3.862  11.812  1.00 75.75           C  
-ATOM   1239  OE1 GLU B  22      28.555  -5.400  11.034  1.00 53.89           O  
-ATOM   1240  OE2 GLU B  22      29.808  -4.745  12.821  1.00 65.14           O  
-ATOM   1241  N   VAL B  23      24.347  -6.274  12.578  1.00 19.15           N  
-ATOM   1242  CA  VAL B  23      23.303  -6.039  11.518  1.00 16.52           C  
-ATOM   1243  C   VAL B  23      21.857  -5.985  12.342  1.00 19.25           C  
-ATOM   1244  O   VAL B  23      20.964  -5.128  11.822  1.00 16.10           O  
-ATOM   1245  CB  VAL B  23      23.294  -7.123  10.403  1.00 21.83           C  
-ATOM   1246  CG1 VAL B  23      22.065  -7.019   9.672  1.00 26.98           C  
-ATOM   1247  CG2 VAL B  23      24.689  -6.722   9.825  1.00 24.14           C  
-ATOM   1248  N   GLY B  24      21.684  -6.753  13.284  1.00 11.83           N  
-ATOM   1249  CA  GLY B  24      20.512  -6.666  14.003  1.00 15.96           C  
-ATOM   1250  C   GLY B  24      20.131  -5.391  14.689  1.00 15.32           C  
-ATOM   1251  O   GLY B  24      19.133  -4.694  14.628  1.00 13.59           O  
-ATOM   1252  N   GLY B  25      21.093  -4.853  15.395  1.00 19.52           N  
-ATOM   1253  CA  GLY B  25      21.202  -3.549  15.972  1.00 15.79           C  
-ATOM   1254  C   GLY B  25      20.921  -2.401  14.917  1.00 12.82           C  
-ATOM   1255  O   GLY B  25      20.200  -1.481  15.135  1.00 18.05           O  
-ATOM   1256  N   GLU B  26      21.598  -2.510  13.849  1.00 12.16           N  
-ATOM   1257  CA  GLU B  26      21.567  -1.493  12.736  1.00 11.32           C  
-ATOM   1258  C   GLU B  26      20.042  -1.534  12.176  1.00 13.79           C  
-ATOM   1259  O   GLU B  26      19.605  -0.362  11.944  1.00 14.59           O  
-ATOM   1260  CB  GLU B  26      22.564  -1.757  11.778  1.00 13.18           C  
-ATOM   1261  CG  GLU B  26      23.022  -0.301  10.974  1.00 29.90           C  
-ATOM   1262  CD  GLU B  26      23.535   0.894  10.508  1.00 51.34           C  
-ATOM   1263  OE1 GLU B  26      23.767  -0.209   7.916  1.00 54.93           O  
-ATOM   1264  OE2 GLU B  26      24.549  -1.302  10.298  1.00 37.93           O  
-ATOM   1265  N   ALA B  27      19.659  -2.698  11.904  1.00 13.14           N  
-ATOM   1266  CA  ALA B  27      18.339  -2.622  11.197  1.00  9.05           C  
-ATOM   1267  C   ALA B  27      17.188  -2.188  12.064  1.00 10.83           C  
-ATOM   1268  O   ALA B  27      16.247  -1.538  11.698  1.00 11.12           O  
-ATOM   1269  CB  ALA B  27      18.124  -4.039  10.850  1.00 14.07           C  
-ATOM   1270  N   LEU B  28      17.097  -2.654  13.364  1.00 11.19           N  
-ATOM   1271  CA  LEU B  28      16.289  -2.225  14.403  1.00 14.47           C  
-ATOM   1272  C   LEU B  28      16.216  -0.842  14.498  1.00 12.13           C  
-ATOM   1273  O   LEU B  28      15.292  -0.024  14.599  1.00 12.32           O  
-ATOM   1274  CB  LEU B  28      16.089  -3.101  15.599  1.00  9.21           C  
-ATOM   1275  CG  LEU B  28      14.602  -2.613  16.344  1.00 20.67           C  
-ATOM   1276  CD1 LEU B  28      13.558  -3.287  15.723  1.00 17.60           C  
-ATOM   1277  CD2 LEU B  28      15.036  -3.349  17.556  1.00 34.99           C  
-ATOM   1278  N   GLY B  29      17.488  -0.244  14.733  1.00 10.00           N  
-ATOM   1279  CA  GLY B  29      17.555   1.107  14.942  1.00 15.27           C  
-ATOM   1280  C   GLY B  29      17.147   1.979  13.686  1.00 10.88           C  
-ATOM   1281  O   GLY B  29      16.406   2.945  13.855  1.00 14.42           O  
-ATOM   1282  N   ARG B  30      17.503   1.503  12.514  1.00 11.39           N  
-ATOM   1283  CA  ARG B  30      17.138   2.392  11.410  1.00 14.49           C  
-ATOM   1284  C   ARG B  30      15.517   2.168  11.180  1.00 10.79           C  
-ATOM   1285  O   ARG B  30      14.997   3.218  10.749  1.00 13.81           O  
-ATOM   1286  CB  ARG B  30      17.883   1.854  10.134  1.00 19.88           C  
-ATOM   1287  CG  ARG B  30      19.264   2.550   9.848  1.00 16.11           C  
-ATOM   1288  CD  ARG B  30      19.816   1.919   8.615  1.00 14.71           C  
-ATOM   1289  NE  ARG B  30      21.229   2.190   8.567  1.00 21.05           N  
-ATOM   1290  CZ  ARG B  30      21.899   3.048   7.943  1.00 18.56           C  
-ATOM   1291  NH1 ARG B  30      21.169   3.859   7.078  1.00 19.13           N  
-ATOM   1292  NH2 ARG B  30      23.126   3.441   7.930  1.00 19.91           N  
-ATOM   1293  N   LEU B  31      14.954   1.034  11.546  1.00 12.04           N  
-ATOM   1294  CA  LEU B  31      13.557   0.954  11.581  1.00 10.54           C  
-ATOM   1295  C   LEU B  31      13.079   2.129  12.312  1.00 13.93           C  
-ATOM   1296  O   LEU B  31      12.053   2.837  11.993  1.00 14.67           O  
-ATOM   1297  CB  LEU B  31      12.999  -0.394  11.933  1.00 12.99           C  
-ATOM   1298  CG  LEU B  31      11.476  -0.524  12.150  1.00 10.97           C  
-ATOM   1299  CD1 LEU B  31      11.036  -0.535  10.722  1.00 19.46           C  
-ATOM   1300  CD2 LEU B  31      11.106  -1.700  13.040  1.00 13.98           C  
-ATOM   1301  N   LEU B  32      13.531   2.329  13.530  1.00 10.13           N  
-ATOM   1302  CA  LEU B  32      12.882   3.156  14.401  1.00 11.52           C  
-ATOM   1303  C   LEU B  32      13.149   4.616  14.057  1.00 12.11           C  
-ATOM   1304  O   LEU B  32      12.467   5.633  14.438  1.00 15.31           O  
-ATOM   1305  CB  LEU B  32      13.453   3.038  15.919  1.00 11.75           C  
-ATOM   1306  CG  LEU B  32      12.805   1.940  16.581  1.00 16.68           C  
-ATOM   1307  CD1 LEU B  32      12.104   0.941  16.260  1.00 22.26           C  
-ATOM   1308  CD2 LEU B  32      13.566   1.603  17.835  1.00 28.90           C  
-ATOM   1309  N   VAL B  33      14.250   4.899  13.351  1.00 10.32           N  
-ATOM   1310  CA  VAL B  33      14.628   6.174  12.868  1.00 11.98           C  
-ATOM   1311  C   VAL B  33      13.704   6.548  11.535  1.00 12.10           C  
-ATOM   1312  O   VAL B  33      13.345   7.771  11.481  1.00 13.28           O  
-ATOM   1313  CB  VAL B  33      16.139   6.304  12.522  1.00 14.87           C  
-ATOM   1314  CG1 VAL B  33      16.518   7.591  11.880  1.00 11.54           C  
-ATOM   1315  CG2 VAL B  33      16.745   6.275  13.788  1.00 16.57           C  
-ATOM   1316  N   VAL B  34      13.820   5.650  10.638  1.00 13.66           N  
-ATOM   1317  CA  VAL B  34      13.156   6.096   9.258  1.00  9.59           C  
-ATOM   1318  C   VAL B  34      11.591   6.042   9.368  1.00  8.72           C  
-ATOM   1319  O   VAL B  34      11.052   6.910   8.763  1.00  9.42           O  
-ATOM   1320  CB  VAL B  34      13.681   5.042   8.326  1.00  9.09           C  
-ATOM   1321  CG1 VAL B  34      13.079   5.328   6.958  1.00  9.82           C  
-ATOM   1322  CG2 VAL B  34      15.076   5.133   8.253  1.00 17.00           C  
-ATOM   1323  N   TYR B  35      11.088   5.155  10.260  1.00 10.80           N  
-ATOM   1324  CA  TYR B  35       9.613   5.019  10.405  1.00 13.73           C  
-ATOM   1325  C   TYR B  35       9.249   5.241  11.959  1.00 14.87           C  
-ATOM   1326  O   TYR B  35       9.056   4.156  12.514  1.00 16.30           O  
-ATOM   1327  CB  TYR B  35       9.162   3.628   9.962  1.00 14.97           C  
-ATOM   1328  CG  TYR B  35       9.590   3.397   8.554  1.00 16.57           C  
-ATOM   1329  CD1 TYR B  35       9.059   4.138   7.400  1.00 17.11           C  
-ATOM   1330  CD2 TYR B  35      10.495   2.446   8.096  1.00 21.02           C  
-ATOM   1331  CE1 TYR B  35       9.473   3.862   6.085  1.00 16.53           C  
-ATOM   1332  CE2 TYR B  35      10.987   2.455   6.905  1.00 21.07           C  
-ATOM   1333  CZ  TYR B  35      10.434   2.948   5.860  1.00 16.91           C  
-ATOM   1334  OH  TYR B  35      11.073   2.851   4.537  1.00 21.07           O  
-ATOM   1335  N   PRO B  36       9.337   6.384  12.381  1.00 18.32           N  
-ATOM   1336  CA  PRO B  36       9.299   6.665  13.797  1.00 15.72           C  
-ATOM   1337  C   PRO B  36       8.010   6.232  14.403  1.00 27.07           C  
-ATOM   1338  O   PRO B  36       8.028   5.977  15.694  1.00 15.67           O  
-ATOM   1339  CB  PRO B  36       9.448   8.143  14.056  1.00 16.26           C  
-ATOM   1340  CG  PRO B  36       9.504   8.813  12.839  1.00 21.27           C  
-ATOM   1341  CD  PRO B  36       9.498   7.681  11.841  1.00 25.93           C  
-ATOM   1342  N   TRP B  37       6.917   5.884  13.840  1.00 14.10           N  
-ATOM   1343  CA  TRP B  37       5.821   5.395  14.601  1.00 12.74           C  
-ATOM   1344  C   TRP B  37       5.965   3.976  15.036  1.00 15.06           C  
-ATOM   1345  O   TRP B  37       5.268   3.465  15.926  1.00 15.27           O  
-ATOM   1346  CB  TRP B  37       4.670   5.475  13.490  1.00 19.41           C  
-ATOM   1347  CG  TRP B  37       4.766   4.831  12.253  1.00 14.79           C  
-ATOM   1348  CD1 TRP B  37       4.298   3.513  11.774  1.00 18.82           C  
-ATOM   1349  CD2 TRP B  37       5.265   5.442  10.984  1.00 18.23           C  
-ATOM   1350  NE1 TRP B  37       4.669   3.435  10.535  1.00 23.72           N  
-ATOM   1351  CE2 TRP B  37       5.184   4.400   9.923  1.00 22.13           C  
-ATOM   1352  CE3 TRP B  37       5.947   6.691  10.672  1.00 21.52           C  
-ATOM   1353  CZ2 TRP B  37       5.584   4.556   8.589  1.00 18.19           C  
-ATOM   1354  CZ3 TRP B  37       6.183   6.773   9.398  1.00 31.71           C  
-ATOM   1355  CH2 TRP B  37       6.069   5.844   8.520  1.00 14.12           C  
-ATOM   1356  N   THR B  38       7.039   3.221  14.646  1.00 14.17           N  
-ATOM   1357  CA  THR B  38       7.466   1.912  14.979  1.00 13.46           C  
-ATOM   1358  C   THR B  38       7.760   1.960  16.519  1.00 16.65           C  
-ATOM   1359  O   THR B  38       8.073   0.918  17.118  1.00 18.86           O  
-ATOM   1360  CB  THR B  38       8.456   1.107  14.212  1.00 12.74           C  
-ATOM   1361  OG1 THR B  38       9.507   1.962  14.105  1.00 14.09           O  
-ATOM   1362  CG2 THR B  38       7.863   1.128  12.798  1.00 15.42           C  
-ATOM   1363  N   GLN B  39       8.203   3.108  16.922  1.00 19.91           N  
-ATOM   1364  CA  GLN B  39       8.656   3.567  18.379  1.00 23.22           C  
-ATOM   1365  C   GLN B  39       7.604   3.201  19.358  1.00 19.19           C  
-ATOM   1366  O   GLN B  39       7.968   2.987  20.495  1.00 19.29           O  
-ATOM   1367  CB  GLN B  39       9.277   4.878  18.529  1.00 24.35           C  
-ATOM   1368  CG  GLN B  39      10.405   5.137  17.759  1.00 25.27           C  
-ATOM   1369  CD  GLN B  39      10.983   6.633  17.918  1.00 24.35           C  
-ATOM   1370  OE1 GLN B  39      10.480   7.189  18.922  1.00 26.75           O  
-ATOM   1371  NE2 GLN B  39      11.852   7.006  16.956  1.00 30.18           N  
-ATOM   1372  N   ARG B  40       6.347   3.079  18.900  1.00 20.02           N  
-ATOM   1373  CA  ARG B  40       5.184   2.850  19.816  1.00 21.80           C  
-ATOM   1374  C   ARG B  40       5.511   1.455  20.630  1.00 29.36           C  
-ATOM   1375  O   ARG B  40       4.888   1.619  21.749  1.00 24.42           O  
-ATOM   1376  CB  ARG B  40       3.944   2.700  18.938  1.00 16.52           C  
-ATOM   1377  CG  ARG B  40       3.694   1.420  18.404  1.00 20.34           C  
-ATOM   1378  CD  ARG B  40       2.451   1.519  17.302  1.00 25.31           C  
-ATOM   1379  NE  ARG B  40       1.370   1.856  17.810  1.00 29.70           N  
-ATOM   1380  CZ  ARG B  40       0.400   1.022  18.648  1.00 34.46           C  
-ATOM   1381  NH1 ARG B  40       0.678  -0.097  18.556  1.00 31.34           N  
-ATOM   1382  NH2 ARG B  40      -0.783   2.010  18.877  1.00 39.12           N  
-ATOM   1383  N   PHE B  41       6.149   0.541  20.453  1.00 19.21           N  
-ATOM   1384  CA  PHE B  41       6.133  -0.730  21.151  1.00 16.53           C  
-ATOM   1385  C   PHE B  41       7.442  -0.621  22.343  1.00 21.34           C  
-ATOM   1386  O   PHE B  41       7.412  -1.538  22.897  1.00 23.45           O  
-ATOM   1387  CB  PHE B  41       6.675  -1.804  20.080  1.00 10.39           C  
-ATOM   1388  CG  PHE B  41       5.553  -1.984  19.152  1.00 13.84           C  
-ATOM   1389  CD1 PHE B  41       5.763  -1.448  17.828  1.00 17.38           C  
-ATOM   1390  CD2 PHE B  41       4.239  -2.655  19.578  1.00 25.55           C  
-ATOM   1391  CE1 PHE B  41       4.713  -1.720  16.922  1.00 15.72           C  
-ATOM   1392  CE2 PHE B  41       3.272  -2.680  18.459  1.00 21.40           C  
-ATOM   1393  CZ  PHE B  41       3.586  -2.146  17.207  1.00 13.46           C  
-ATOM   1394  N   PHE B  42       8.072   0.397  22.159  1.00 18.41           N  
-ATOM   1395  CA  PHE B  42       9.433   0.476  22.639  1.00 17.88           C  
-ATOM   1396  C   PHE B  42       9.683   1.552  23.631  1.00 26.28           C  
-ATOM   1397  O   PHE B  42      10.712   1.963  24.025  1.00 30.16           O  
-ATOM   1398  CB  PHE B  42      10.561   0.553  21.602  1.00 16.57           C  
-ATOM   1399  CG  PHE B  42      10.524  -0.621  20.906  1.00 18.87           C  
-ATOM   1400  CD1 PHE B  42      10.208  -0.431  19.261  1.00 17.08           C  
-ATOM   1401  CD2 PHE B  42      10.804  -1.937  21.065  1.00 17.75           C  
-ATOM   1402  CE1 PHE B  42      10.137  -1.716  18.672  1.00 12.34           C  
-ATOM   1403  CE2 PHE B  42      10.625  -2.998  20.314  1.00 16.32           C  
-ATOM   1404  CZ  PHE B  42      10.370  -2.870  18.826  1.00 14.29           C  
-ATOM   1405  N   GLU B  43       8.703   2.022  24.176  1.00 32.94           N  
-ATOM   1406  CA  GLU B  43       9.021   3.274  25.060  1.00 42.17           C  
-ATOM   1407  C   GLU B  43       9.315   2.924  26.617  1.00 21.09           C  
-ATOM   1408  O   GLU B  43      10.204   3.362  27.291  1.00 37.55           O  
-ATOM   1409  CB  GLU B  43       7.798   3.586  25.059  1.00 73.91           C  
-ATOM   1410  CG  GLU B  43       6.528   3.291  25.915  1.00 61.81           C  
-ATOM   1411  CD  GLU B  43       4.777   4.930  25.558  1.00 78.77           C  
-ATOM   1412  OE1 GLU B  43       5.276   5.543  25.252  1.00 63.33           O  
-ATOM   1413  OE2 GLU B  43       4.274   3.783  26.403  1.00 59.41           O  
-ATOM   1414  N   SER B  44       9.424   1.477  26.805  1.00 22.68           N  
-ATOM   1415  CA  SER B  44      10.261   0.951  28.039  1.00 28.45           C  
-ATOM   1416  C   SER B  44      11.527   1.680  27.935  1.00 36.10           C  
-ATOM   1417  O   SER B  44      12.578   0.776  28.511  1.00 25.24           O  
-ATOM   1418  CB  SER B  44       9.957  -0.409  28.119  1.00 27.61           C  
-ATOM   1419  OG  SER B  44      10.204  -1.503  27.766  1.00 37.26           O  
-ATOM   1420  N   PHE B  45      12.292   1.349  26.626  1.00 28.36           N  
-ATOM   1421  CA  PHE B  45      13.648   1.329  26.186  1.00 25.47           C  
-ATOM   1422  C   PHE B  45      14.197   2.590  26.508  1.00 26.28           C  
-ATOM   1423  O   PHE B  45      15.451   2.670  26.190  1.00 31.39           O  
-ATOM   1424  CB  PHE B  45      13.618   0.947  24.623  1.00 22.10           C  
-ATOM   1425  CG  PHE B  45      13.541  -0.652  24.249  1.00 18.85           C  
-ATOM   1426  CD1 PHE B  45      13.939  -0.880  22.983  1.00 29.27           C  
-ATOM   1427  CD2 PHE B  45      12.982  -1.450  24.626  1.00 31.57           C  
-ATOM   1428  CE1 PHE B  45      13.682  -2.441  22.618  1.00 29.02           C  
-ATOM   1429  CE2 PHE B  45      12.642  -2.810  24.625  1.00 30.34           C  
-ATOM   1430  CZ  PHE B  45      13.202  -2.999  23.312  1.00 36.33           C  
-ATOM   1431  N   GLY B  46      13.772   3.730  26.937  1.00 39.28           N  
-ATOM   1432  CA  GLY B  46      14.529   4.785  27.301  1.00 46.90           C  
-ATOM   1433  C   GLY B  46      14.720   5.977  26.137  1.00 45.06           C  
-ATOM   1434  O   GLY B  46      13.492   6.152  25.410  1.00 36.42           O  
-ATOM   1435  N   ASP B  47      15.717   6.365  26.037  1.00 38.00           N  
-ATOM   1436  CA  ASP B  47      15.729   7.801  25.184  1.00 38.15           C  
-ATOM   1437  C   ASP B  47      16.096   7.362  23.534  1.00 25.86           C  
-ATOM   1438  O   ASP B  47      16.860   6.380  23.281  1.00 25.46           O  
-ATOM   1439  CB  ASP B  47      17.237   8.136  25.516  1.00 44.07           C  
-ATOM   1440  CG  ASP B  47      17.345   9.494  25.209  1.00 52.06           C  
-ATOM   1441  OD1 ASP B  47      18.506  10.069  24.917  1.00 44.54           O  
-ATOM   1442  OD2 ASP B  47      16.192  10.248  24.076  1.00 35.33           O  
-ATOM   1443  N   LEU B  48      14.758   7.696  22.981  1.00 25.27           N  
-ATOM   1444  CA  LEU B  48      14.475   7.473  21.435  1.00 28.75           C  
-ATOM   1445  C   LEU B  48      14.468   8.903  20.740  1.00 27.19           C  
-ATOM   1446  O   LEU B  48      13.953   8.921  19.724  1.00 27.20           O  
-ATOM   1447  CB  LEU B  48      13.484   6.505  21.317  1.00 23.96           C  
-ATOM   1448  CG  LEU B  48      13.754   5.148  21.718  1.00 24.35           C  
-ATOM   1449  CD1 LEU B  48      12.414   4.237  21.541  1.00 34.74           C  
-ATOM   1450  CD2 LEU B  48      14.775   4.377  21.408  1.00 34.58           C  
-ATOM   1451  N   SER B  49      15.103   9.812  21.342  1.00 41.94           N  
-ATOM   1452  CA  SER B  49      14.421  11.168  20.634  1.00 46.28           C  
-ATOM   1453  C   SER B  49      15.582  11.613  20.219  1.00 38.86           C  
-ATOM   1454  O   SER B  49      14.817  12.605  18.942  1.00 41.94           O  
-ATOM   1455  CB  SER B  49      14.717  12.244  22.089  1.00 37.98           C  
-ATOM   1456  OG  SER B  49      16.403  12.088  22.302  1.00 37.71           O  
-ATOM   1457  N   THR B  50      16.507  11.264  19.343  1.00 28.29           N  
-ATOM   1458  CA  THR B  50      17.236  11.360  18.289  1.00 30.77           C  
-ATOM   1459  C   THR B  50      17.885  10.175  17.455  1.00 28.12           C  
-ATOM   1460  O   THR B  50      17.899   9.107  18.221  1.00 25.38           O  
-ATOM   1461  CB  THR B  50      18.076  12.160  18.824  1.00 33.39           C  
-ATOM   1462  OG1 THR B  50      19.415  11.795  19.160  1.00 37.96           O  
-ATOM   1463  CG2 THR B  50      18.083  13.812  19.397  1.00 29.64           C  
-ATOM   1464  N   PRO B  51      18.477  10.443  16.283  1.00 28.96           N  
-ATOM   1465  CA  PRO B  51      18.840   9.268  15.580  1.00 22.25           C  
-ATOM   1466  C   PRO B  51      20.003   8.659  16.259  1.00 19.80           C  
-ATOM   1467  O   PRO B  51      20.229   7.322  16.651  1.00 21.55           O  
-ATOM   1468  CB  PRO B  51      19.279   9.752  14.257  1.00 27.29           C  
-ATOM   1469  CG  PRO B  51      18.236  10.849  14.019  1.00 23.54           C  
-ATOM   1470  CD  PRO B  51      18.120  11.592  15.204  1.00 26.04           C  
-ATOM   1471  N   ASP B  52      20.955   9.490  16.887  1.00 21.99           N  
-ATOM   1472  CA  ASP B  52      22.107   9.063  17.596  1.00 20.50           C  
-ATOM   1473  C   ASP B  52      21.711   8.282  18.816  1.00 16.32           C  
-ATOM   1474  O   ASP B  52      22.264   7.261  19.307  1.00 25.55           O  
-ATOM   1475  CB  ASP B  52      22.971  10.246  17.966  1.00 32.17           C  
-ATOM   1476  CG  ASP B  52      24.234  10.367  16.728  1.00 47.24           C  
-ATOM   1477  OD1 ASP B  52      24.140   9.731  15.886  1.00 41.78           O  
-ATOM   1478  OD2 ASP B  52      24.041  11.689  16.359  1.00 62.08           O  
-ATOM   1479  N   ALA B  53      20.654   8.843  19.515  1.00 23.18           N  
-ATOM   1480  CA  ALA B  53      20.143   8.181  20.776  1.00 24.60           C  
-ATOM   1481  C   ALA B  53      19.728   6.737  20.669  1.00 20.91           C  
-ATOM   1482  O   ALA B  53      19.736   5.693  21.187  1.00 20.19           O  
-ATOM   1483  CB  ALA B  53      19.176   8.937  21.371  1.00 23.45           C  
-ATOM   1484  N   VAL B  54      18.925   6.610  19.428  1.00 19.02           N  
-ATOM   1485  CA  VAL B  54      18.396   5.367  18.970  1.00 17.30           C  
-ATOM   1486  C   VAL B  54      19.363   4.542  18.660  1.00 15.03           C  
-ATOM   1487  O   VAL B  54      19.429   3.266  19.120  1.00 19.06           O  
-ATOM   1488  CB  VAL B  54      17.268   5.613  17.733  1.00 27.63           C  
-ATOM   1489  CG1 VAL B  54      17.019   4.214  17.213  1.00 22.46           C  
-ATOM   1490  CG2 VAL B  54      16.224   6.564  17.992  1.00 27.27           C  
-ATOM   1491  N   MET B  55      20.370   4.888  17.834  1.00 21.73           N  
-ATOM   1492  CA  MET B  55      21.262   3.920  17.351  1.00 17.86           C  
-ATOM   1493  C   MET B  55      22.215   3.437  18.454  1.00 32.16           C  
-ATOM   1494  O   MET B  55      22.701   2.355  18.174  1.00 26.15           O  
-ATOM   1495  CB  MET B  55      22.167   4.509  16.152  1.00 19.12           C  
-ATOM   1496  CG  MET B  55      21.367   4.924  14.914  1.00 18.10           C  
-ATOM   1497  SD  MET B  55      20.328   3.573  14.221  1.00 21.28           S  
-ATOM   1498  CE  MET B  55      21.373   2.471  13.659  1.00 20.66           C  
-ATOM   1499  N   GLY B  56      22.406   4.339  19.361  1.00 24.42           N  
-ATOM   1500  CA  GLY B  56      23.329   3.841  20.456  1.00 36.79           C  
-ATOM   1501  C   GLY B  56      22.514   3.565  21.746  1.00 33.28           C  
-ATOM   1502  O   GLY B  56      23.093   2.903  22.699  1.00 24.94           O  
-ATOM   1503  N   ASN B  57      21.348   2.997  21.778  1.00 22.01           N  
-ATOM   1504  CA  ASN B  57      20.559   2.685  22.827  1.00 15.71           C  
-ATOM   1505  C   ASN B  57      20.755   1.267  22.976  1.00 17.88           C  
-ATOM   1506  O   ASN B  57      20.502   0.300  22.098  1.00 18.04           O  
-ATOM   1507  CB  ASN B  57      19.144   2.920  22.701  1.00 21.80           C  
-ATOM   1508  CG  ASN B  57      18.247   2.358  23.776  1.00 18.78           C  
-ATOM   1509  OD1 ASN B  57      18.261   1.376  24.212  1.00 23.41           O  
-ATOM   1510  ND2 ASN B  57      17.583   3.338  24.270  1.00 26.53           N  
-ATOM   1511  N   PRO B  58      21.174   0.662  24.086  1.00 24.81           N  
-ATOM   1512  CA  PRO B  58      21.379  -0.699  24.384  1.00 24.38           C  
-ATOM   1513  C   PRO B  58      20.320  -1.707  24.238  1.00 16.45           C  
-ATOM   1514  O   PRO B  58      20.621  -2.865  23.942  1.00 22.03           O  
-ATOM   1515  CB  PRO B  58      22.199  -0.585  25.810  1.00 41.00           C  
-ATOM   1516  CG  PRO B  58      21.985   0.546  26.007  1.00 36.46           C  
-ATOM   1517  CD  PRO B  58      21.572   1.751  25.438  1.00 41.75           C  
-ATOM   1518  N   LYS B  59      19.129  -1.092  24.601  1.00 16.03           N  
-ATOM   1519  CA  LYS B  59      17.877  -2.002  24.599  1.00 22.04           C  
-ATOM   1520  C   LYS B  59      17.389  -2.185  23.113  1.00 13.98           C  
-ATOM   1521  O   LYS B  59      17.132  -3.370  22.712  1.00 15.67           O  
-ATOM   1522  CB  LYS B  59      16.893  -1.439  25.346  1.00 22.22           C  
-ATOM   1523  CG  LYS B  59      17.003  -1.840  26.817  1.00 45.70           C  
-ATOM   1524  CD  LYS B  59      17.133  -0.988  27.329  1.00 44.05           C  
-ATOM   1525  CE  LYS B  59      17.311  -2.126  29.392  1.00 71.22           C  
-ATOM   1526  NZ  LYS B  59      16.304  -0.516  29.672  1.00 61.54           N  
-ATOM   1527  N   VAL B  60      17.762  -1.228  22.435  1.00 17.28           N  
-ATOM   1528  CA  VAL B  60      17.489  -1.267  20.987  1.00 18.21           C  
-ATOM   1529  C   VAL B  60      18.198  -2.383  20.467  1.00 17.60           C  
-ATOM   1530  O   VAL B  60      18.065  -3.331  19.597  1.00 19.11           O  
-ATOM   1531  CB  VAL B  60      17.415   0.000  20.196  1.00 19.15           C  
-ATOM   1532  CG1 VAL B  60      17.700  -0.242  18.743  1.00 20.44           C  
-ATOM   1533  CG2 VAL B  60      16.452   0.957  20.699  1.00 20.64           C  
-ATOM   1534  N   LYS B  61      19.612  -2.162  20.575  1.00 16.19           N  
-ATOM   1535  CA  LYS B  61      20.529  -3.146  20.062  1.00 15.00           C  
-ATOM   1536  C   LYS B  61      20.399  -4.610  20.622  1.00 17.90           C  
-ATOM   1537  O   LYS B  61      20.213  -5.649  19.890  1.00 20.52           O  
-ATOM   1538  CB  LYS B  61      21.934  -2.794  20.686  1.00 23.50           C  
-ATOM   1539  CG  LYS B  61      22.389  -1.790  20.123  1.00 34.21           C  
-ATOM   1540  CD  LYS B  61      23.914  -1.121  21.095  1.00 48.05           C  
-ATOM   1541  CE  LYS B  61      24.659  -0.514  19.697  1.00 65.12           C  
-ATOM   1542  NZ  LYS B  61      25.928   0.153  20.694  1.00 66.26           N  
-ATOM   1543  N   ALA B  62      19.935  -4.789  21.817  1.00 18.99           N  
-ATOM   1544  CA  ALA B  62      19.613  -6.179  22.281  1.00 20.11           C  
-ATOM   1545  C   ALA B  62      18.327  -6.740  21.532  1.00 23.44           C  
-ATOM   1546  O   ALA B  62      18.260  -7.852  21.400  1.00 21.26           O  
-ATOM   1547  CB  ALA B  62      19.287  -6.023  23.792  1.00 28.90           C  
-ATOM   1548  N   HIS B  63      17.361  -5.800  21.608  1.00 20.40           N  
-ATOM   1549  CA  HIS B  63      16.190  -6.291  20.805  1.00 18.39           C  
-ATOM   1550  C   HIS B  63      16.516  -6.639  19.256  1.00 14.88           C  
-ATOM   1551  O   HIS B  63      16.111  -7.828  18.863  1.00 18.29           O  
-ATOM   1552  CB  HIS B  63      15.116  -5.410  20.859  1.00 22.46           C  
-ATOM   1553  CG  HIS B  63      13.751  -5.776  20.554  1.00 25.19           C  
-ATOM   1554  ND1 HIS B  63      13.281  -7.248  21.117  1.00 24.68           N  
-ATOM   1555  CD2 HIS B  63      13.005  -5.716  19.310  1.00 20.46           C  
-ATOM   1556  CE1 HIS B  63      11.969  -7.447  20.274  1.00 21.48           C  
-ATOM   1557  NE2 HIS B  63      11.891  -6.627  19.400  1.00 20.00           N  
-ATOM   1558  N   GLY B  64      17.369  -5.912  18.807  1.00 15.81           N  
-ATOM   1559  CA  GLY B  64      17.753  -6.266  17.372  1.00 16.57           C  
-ATOM   1560  C   GLY B  64      18.356  -7.523  17.041  1.00 14.05           C  
-ATOM   1561  O   GLY B  64      18.321  -8.353  16.306  1.00 17.38           O  
-ATOM   1562  N   LYS B  65      19.222  -7.845  18.080  1.00 15.77           N  
-ATOM   1563  CA  LYS B  65      19.749  -9.096  18.187  1.00 17.79           C  
-ATOM   1564  C   LYS B  65      18.945 -10.321  18.319  1.00 18.32           C  
-ATOM   1565  O   LYS B  65      19.205 -11.332  17.796  1.00 19.33           O  
-ATOM   1566  CB  LYS B  65      21.117  -9.195  19.352  1.00 34.65           C  
-ATOM   1567  CG  LYS B  65      20.823  -9.337  19.828  1.00 64.04           C  
-ATOM   1568  CD  LYS B  65      22.866  -9.404  21.254  1.00 58.77           C  
-ATOM   1569  CE  LYS B  65      21.591 -11.376  21.213  1.00 64.47           C  
-ATOM   1570  NZ  LYS B  65      22.762 -11.190  23.512  1.00 67.19           N  
-ATOM   1571  N   LYS B  66      17.979 -10.126  19.094  1.00 17.45           N  
-ATOM   1572  CA  LYS B  66      17.297 -11.071  19.293  1.00 20.10           C  
-ATOM   1573  C   LYS B  66      16.171 -11.403  18.033  1.00 21.06           C  
-ATOM   1574  O   LYS B  66      15.915 -12.596  17.725  1.00 17.84           O  
-ATOM   1575  CB  LYS B  66      16.183 -10.827  20.504  1.00 22.19           C  
-ATOM   1576  CG  LYS B  66      15.115 -11.668  20.860  1.00 40.97           C  
-ATOM   1577  CD  LYS B  66      14.348 -11.289  22.165  1.00 49.22           C  
-ATOM   1578  CE  LYS B  66      14.883 -13.426  23.031  1.00 72.58           C  
-ATOM   1579  NZ  LYS B  66      13.505 -13.329  24.195  1.00 70.66           N  
-ATOM   1580  N   VAL B  67      15.722 -10.213  17.591  1.00 16.93           N  
-ATOM   1581  CA  VAL B  67      14.967 -10.430  16.204  1.00 19.22           C  
-ATOM   1582  C   VAL B  67      15.793 -10.926  15.110  1.00 11.08           C  
-ATOM   1583  O   VAL B  67      15.419 -12.032  14.481  1.00 14.57           O  
-ATOM   1584  CB  VAL B  67      14.239  -9.056  15.913  1.00 21.56           C  
-ATOM   1585  CG1 VAL B  67      13.929  -8.835  14.427  1.00 18.58           C  
-ATOM   1586  CG2 VAL B  67      13.400  -8.550  17.010  1.00 21.34           C  
-ATOM   1587  N   LEU B  68      16.954 -10.461  14.916  1.00 11.62           N  
-ATOM   1588  CA  LEU B  68      17.765 -11.045  13.835  1.00 15.23           C  
-ATOM   1589  C   LEU B  68      18.198 -12.546  14.030  1.00 13.22           C  
-ATOM   1590  O   LEU B  68      18.576 -13.320  13.014  1.00 14.49           O  
-ATOM   1591  CB  LEU B  68      18.788 -10.157  13.424  1.00 22.80           C  
-ATOM   1592  CG  LEU B  68      18.947  -9.620  11.990  1.00 26.57           C  
-ATOM   1593  CD1 LEU B  68      20.192 -10.323  11.868  1.00 62.38           C  
-ATOM   1594  CD2 LEU B  68      17.922  -9.301  11.306  1.00 35.30           C  
-ATOM   1595  N   GLY B  69      18.512 -12.954  15.230  1.00 14.77           N  
-ATOM   1596  CA  GLY B  69      18.843 -14.169  15.499  1.00 20.29           C  
-ATOM   1597  C   GLY B  69      17.847 -15.440  15.178  1.00 17.59           C  
-ATOM   1598  O   GLY B  69      17.982 -16.324  14.534  1.00 19.02           O  
-ATOM   1599  N   ALA B  70      16.471 -14.870  15.541  1.00 19.76           N  
-ATOM   1600  CA  ALA B  70      15.432 -15.582  15.055  1.00 20.35           C  
-ATOM   1601  C   ALA B  70      15.296 -15.691  13.506  1.00 16.36           C  
-ATOM   1602  O   ALA B  70      14.996 -16.706  12.805  1.00 18.12           O  
-ATOM   1603  CB  ALA B  70      14.137 -15.174  15.556  1.00 18.92           C  
-ATOM   1604  N   PHE B  71      15.441 -14.520  12.868  1.00 14.47           N  
-ATOM   1605  CA  PHE B  71      15.473 -14.523  11.393  1.00 18.37           C  
-ATOM   1606  C   PHE B  71      16.681 -15.484  10.885  1.00 23.80           C  
-ATOM   1607  O   PHE B  71      16.324 -16.238  10.064  1.00 20.23           O  
-ATOM   1608  CB  PHE B  71      15.760 -13.050  11.104  1.00 13.73           C  
-ATOM   1609  CG  PHE B  71      15.796 -12.885   9.606  1.00 18.08           C  
-ATOM   1610  CD1 PHE B  71      14.729 -12.558   8.930  1.00 25.10           C  
-ATOM   1611  CD2 PHE B  71      17.072 -12.967   8.830  1.00 17.17           C  
-ATOM   1612  CE1 PHE B  71      14.623 -12.282   7.460  1.00 19.10           C  
-ATOM   1613  CE2 PHE B  71      16.901 -12.741   7.550  1.00 22.20           C  
-ATOM   1614  CZ  PHE B  71      15.701 -12.364   6.812  1.00 12.94           C  
-ATOM   1615  N   SER B  72      17.595 -15.502  11.393  1.00 20.10           N  
-ATOM   1616  CA  SER B  72      18.969 -16.288  11.125  1.00 20.52           C  
-ATOM   1617  C   SER B  72      18.446 -17.702  11.027  1.00 24.58           C  
-ATOM   1618  O   SER B  72      18.709 -18.593  10.064  1.00 22.06           O  
-ATOM   1619  CB  SER B  72      20.232 -15.732  11.864  1.00 15.28           C  
-ATOM   1620  OG  SER B  72      21.400 -16.267  11.544  1.00 25.10           O  
-ATOM   1621  N   ASP B  73      17.933 -17.999  12.102  1.00 27.59           N  
-ATOM   1622  CA  ASP B  73      17.456 -19.508  12.282  1.00 37.45           C  
-ATOM   1623  C   ASP B  73      16.631 -19.746  11.447  1.00 25.08           C  
-ATOM   1624  O   ASP B  73      16.306 -20.962  10.848  1.00 31.64           O  
-ATOM   1625  CB  ASP B  73      17.022 -19.613  13.914  1.00 36.32           C  
-ATOM   1626  CG  ASP B  73      18.407 -19.595  14.926  1.00 45.09           C  
-ATOM   1627  OD1 ASP B  73      19.800 -19.407  14.506  1.00 37.33           O  
-ATOM   1628  OD2 ASP B  73      18.096 -19.496  15.880  1.00 52.94           O  
-ATOM   1629  N   GLY B  74      15.535 -19.019  10.954  1.00 21.04           N  
-ATOM   1630  CA  GLY B  74      14.735 -19.149   9.973  1.00 15.14           C  
-ATOM   1631  C   GLY B  74      14.988 -19.490   8.722  1.00 22.81           C  
-ATOM   1632  O   GLY B  74      14.637 -20.071   7.621  1.00 25.94           O  
-ATOM   1633  N   LEU B  75      16.509 -18.919   8.215  1.00 20.94           N  
-ATOM   1634  CA  LEU B  75      17.037 -19.090   6.965  1.00 15.84           C  
-ATOM   1635  C   LEU B  75      17.465 -20.570   6.842  1.00 26.11           C  
-ATOM   1636  O   LEU B  75      17.646 -20.979   5.741  1.00 28.14           O  
-ATOM   1637  CB  LEU B  75      18.377 -18.389   6.691  1.00 21.09           C  
-ATOM   1638  CG  LEU B  75      18.160 -17.146   6.885  1.00 27.76           C  
-ATOM   1639  CD1 LEU B  75      19.415 -16.065   6.621  1.00 33.03           C  
-ATOM   1640  CD2 LEU B  75      17.192 -16.405   5.891  1.00 30.01           C  
-ATOM   1641  N   ALA B  76      17.528 -21.312   7.923  1.00 21.21           N  
-ATOM   1642  CA  ALA B  76      17.717 -22.609   7.710  1.00 22.79           C  
-ATOM   1643  C   ALA B  76      16.647 -23.681   7.464  1.00 40.88           C  
-ATOM   1644  O   ALA B  76      16.656 -24.527   7.123  1.00 38.44           O  
-ATOM   1645  CB  ALA B  76      18.164 -23.328   9.061  1.00 29.05           C  
-ATOM   1646  N   HIS B  77      15.219 -22.886   7.385  1.00 23.87           N  
-ATOM   1647  CA  HIS B  77      13.929 -23.700   7.284  1.00 21.57           C  
-ATOM   1648  C   HIS B  77      13.284 -22.870   6.150  1.00 18.37           C  
-ATOM   1649  O   HIS B  77      12.059 -22.798   6.220  1.00 23.13           O  
-ATOM   1650  CB  HIS B  77      13.250 -23.395   8.460  1.00 29.02           C  
-ATOM   1651  CG  HIS B  77      14.079 -24.146   9.683  1.00 36.16           C  
-ATOM   1652  ND1 HIS B  77      14.936 -23.842  10.757  1.00 45.10           N  
-ATOM   1653  CD2 HIS B  77      14.095 -25.953   9.360  1.00 41.12           C  
-ATOM   1654  CE1 HIS B  77      15.178 -24.891  11.130  1.00 37.52           C  
-ATOM   1655  NE2 HIS B  77      14.852 -25.983  10.561  1.00 42.04           N  
-ATOM   1656  N   LEU B  78      13.874 -22.553   5.099  1.00 22.31           N  
-ATOM   1657  CA  LEU B  78      13.302 -21.614   4.148  1.00 20.28           C  
-ATOM   1658  C   LEU B  78      12.283 -22.522   3.216  1.00 31.20           C  
-ATOM   1659  O   LEU B  78      11.288 -21.899   3.087  1.00 34.80           O  
-ATOM   1660  CB  LEU B  78      14.257 -21.383   2.881  1.00 19.92           C  
-ATOM   1661  CG  LEU B  78      14.986 -19.978   3.420  1.00 39.49           C  
-ATOM   1662  CD1 LEU B  78      16.407 -19.926   2.680  1.00 34.16           C  
-ATOM   1663  CD2 LEU B  78      14.406 -18.731   3.892  1.00 31.09           C  
-ATOM   1664  N   ASP B  79      12.097 -23.916   3.393  1.00 31.59           N  
-ATOM   1665  CA  ASP B  79      11.104 -24.882   2.602  1.00 37.85           C  
-ATOM   1666  C   ASP B  79       9.843 -24.653   3.569  1.00 38.72           C  
-ATOM   1667  O   ASP B  79       9.096 -25.342   3.631  1.00 37.62           O  
-ATOM   1668  CB  ASP B  79      11.737 -26.234   3.104  1.00 48.10           C  
-ATOM   1669  CG  ASP B  79      12.662 -26.319   2.384  1.00 61.60           C  
-ATOM   1670  OD1 ASP B  79      13.286 -27.317   2.464  1.00 57.05           O  
-ATOM   1671  OD2 ASP B  79      12.655 -25.818   0.790  1.00 50.26           O  
-ATOM   1672  N   ASN B  80      10.028 -24.212   4.945  1.00 35.73           N  
-ATOM   1673  CA  ASN B  80       8.836 -24.555   6.146  1.00 42.30           C  
-ATOM   1674  C   ASN B  80       9.062 -22.961   6.944  1.00 30.43           C  
-ATOM   1675  O   ASN B  80       8.998 -23.185   7.997  1.00 27.17           O  
-ATOM   1676  CB  ASN B  80       9.098 -25.723   6.800  1.00 45.64           C  
-ATOM   1677  CG  ASN B  80       7.793 -26.259   7.837  1.00 49.79           C  
-ATOM   1678  OD1 ASN B  80       6.751 -25.228   7.493  1.00 49.18           O  
-ATOM   1679  ND2 ASN B  80       8.556 -26.466   8.946  1.00 48.18           N  
-ATOM   1680  N   LEU B  81       8.851 -21.845   6.271  1.00 31.23           N  
-ATOM   1681  CA  LEU B  81       8.683 -20.637   7.429  1.00 24.59           C  
-ATOM   1682  C   LEU B  81       7.679 -20.724   8.281  1.00 25.32           C  
-ATOM   1683  O   LEU B  81       7.523 -20.208   9.309  1.00 23.54           O  
-ATOM   1684  CB  LEU B  81       8.987 -19.631   6.449  1.00 29.09           C  
-ATOM   1685  CG  LEU B  81      10.160 -19.226   5.665  1.00 21.46           C  
-ATOM   1686  CD1 LEU B  81      10.084 -18.185   4.643  1.00 28.62           C  
-ATOM   1687  CD2 LEU B  81      11.341 -18.875   6.546  1.00 30.82           C  
-ATOM   1688  N   LYS B  82       6.283 -21.136   7.490  1.00 26.15           N  
-ATOM   1689  CA  LYS B  82       5.156 -20.862   8.452  1.00 24.25           C  
-ATOM   1690  C   LYS B  82       5.202 -21.643   9.461  1.00 23.08           C  
-ATOM   1691  O   LYS B  82       4.869 -21.389  10.597  1.00 24.88           O  
-ATOM   1692  CB  LYS B  82       4.142 -21.433   7.392  1.00 40.41           C  
-ATOM   1693  CG  LYS B  82       3.479 -20.229   6.738  1.00 39.73           C  
-ATOM   1694  CD  LYS B  82       2.160 -20.747   5.755  1.00 66.91           C  
-ATOM   1695  CE  LYS B  82       1.685 -20.767   6.266  1.00 59.33           C  
-ATOM   1696  NZ  LYS B  82      -0.023 -22.087   5.346  1.00 80.12           N  
-ATOM   1697  N   GLY B  83       5.725 -22.942   9.358  1.00 26.18           N  
-ATOM   1698  CA  GLY B  83       5.798 -23.724  10.746  1.00 41.64           C  
-ATOM   1699  C   GLY B  83       6.819 -23.249  11.591  1.00 31.59           C  
-ATOM   1700  O   GLY B  83       6.621 -23.464  12.858  1.00 36.40           O  
-ATOM   1701  N   THR B  84       7.985 -22.864  11.019  1.00 26.72           N  
-ATOM   1702  CA  THR B  84       9.150 -22.242  11.744  1.00 25.47           C  
-ATOM   1703  C   THR B  84       8.609 -21.278  12.796  1.00 33.72           C  
-ATOM   1704  O   THR B  84       8.964 -20.907  13.790  1.00 27.43           O  
-ATOM   1705  CB  THR B  84      10.394 -21.742  11.042  1.00 25.58           C  
-ATOM   1706  OG1 THR B  84      10.806 -23.108  10.337  1.00 39.04           O  
-ATOM   1707  CG2 THR B  84      11.362 -21.482  11.789  1.00 30.76           C  
-ATOM   1708  N   PHE B  85       7.740 -20.301  12.125  1.00 23.61           N  
-ATOM   1709  CA  PHE B  85       7.236 -18.963  12.749  1.00 21.59           C  
-ATOM   1710  C   PHE B  85       5.980 -19.056  13.414  1.00 28.51           C  
-ATOM   1711  O   PHE B  85       5.496 -18.006  13.809  1.00 18.85           O  
-ATOM   1712  CB  PHE B  85       7.575 -17.733  11.855  1.00 18.34           C  
-ATOM   1713  CG  PHE B  85       8.914 -17.486  11.587  1.00 13.87           C  
-ATOM   1714  CD1 PHE B  85       9.583 -17.701  10.358  1.00 16.61           C  
-ATOM   1715  CD2 PHE B  85       9.616 -17.039  12.693  1.00 18.32           C  
-ATOM   1716  CE1 PHE B  85      11.009 -17.444  10.305  1.00 27.99           C  
-ATOM   1717  CE2 PHE B  85      11.013 -16.752  12.253  1.00 21.68           C  
-ATOM   1718  CZ  PHE B  85      11.837 -16.973  11.161  1.00 21.59           C  
-ATOM   1719  N   ALA B  86       5.328 -20.141  13.373  1.00 22.16           N  
-ATOM   1720  CA  ALA B  86       3.899 -20.242  13.948  1.00 23.14           C  
-ATOM   1721  C   ALA B  86       3.715 -19.788  15.246  1.00 20.99           C  
-ATOM   1722  O   ALA B  86       2.881 -18.975  15.595  1.00 20.07           O  
-ATOM   1723  CB  ALA B  86       3.272 -21.660  13.783  1.00 23.69           C  
-ATOM   1724  N   THR B  87       4.501 -20.280  16.157  1.00 14.82           N  
-ATOM   1725  CA  THR B  87       4.271 -19.764  17.443  1.00 18.61           C  
-ATOM   1726  C   THR B  87       4.737 -18.271  17.729  1.00 25.42           C  
-ATOM   1727  O   THR B  87       4.013 -17.569  18.383  1.00 23.63           O  
-ATOM   1728  CB  THR B  87       5.631 -20.439  18.664  1.00 36.27           C  
-ATOM   1729  OG1 THR B  87       5.010 -21.597  18.659  1.00 56.82           O  
-ATOM   1730  CG2 THR B  87       4.455 -20.311  20.305  1.00 60.80           C  
-ATOM   1731  N   LEU B  88       5.836 -17.770  16.978  1.00 19.44           N  
-ATOM   1732  CA  LEU B  88       5.984 -16.362  17.087  1.00 17.97           C  
-ATOM   1733  C   LEU B  88       4.882 -15.510  16.526  1.00 11.34           C  
-ATOM   1734  O   LEU B  88       4.682 -14.416  16.964  1.00 17.71           O  
-ATOM   1735  CB  LEU B  88       7.361 -16.058  16.476  1.00 20.20           C  
-ATOM   1736  CG  LEU B  88       8.654 -16.553  17.229  1.00 27.17           C  
-ATOM   1737  CD1 LEU B  88       9.614 -15.962  16.454  1.00 32.32           C  
-ATOM   1738  CD2 LEU B  88       8.631 -15.491  18.343  1.00 27.72           C  
-ATOM   1739  N   SER B  89       4.254 -16.087  15.451  1.00 12.58           N  
-ATOM   1740  CA  SER B  89       3.084 -15.313  14.877  1.00 15.21           C  
-ATOM   1741  C   SER B  89       1.999 -14.995  15.898  1.00 14.13           C  
-ATOM   1742  O   SER B  89       1.472 -13.894  16.189  1.00 14.29           O  
-ATOM   1743  CB  SER B  89       2.771 -16.248  13.670  1.00 18.34           C  
-ATOM   1744  OG  SER B  89       1.531 -15.441  13.107  1.00 17.85           O  
-ATOM   1745  N   GLU B  90       1.628 -16.201  16.484  1.00 14.25           N  
-ATOM   1746  CA  GLU B  90       0.931 -16.070  17.617  1.00 20.50           C  
-ATOM   1747  C   GLU B  90       0.876 -15.142  18.820  1.00 13.47           C  
-ATOM   1748  O   GLU B  90       0.179 -14.243  19.122  1.00 16.05           O  
-ATOM   1749  CB  GLU B  90       0.387 -17.706  18.270  1.00 21.76           C  
-ATOM   1750  CG  GLU B  90       0.049 -18.266  17.145  1.00 48.13           C  
-ATOM   1751  CD  GLU B  90      -0.726 -20.095  17.710  1.00 78.64           C  
-ATOM   1752  OE1 GLU B  90      -1.132 -19.837  18.495  1.00 55.55           O  
-ATOM   1753  OE2 GLU B  90       0.235 -20.950  17.492  1.00 74.37           O  
-ATOM   1754  N   LEU B  91       2.312 -15.215  19.185  1.00 13.36           N  
-ATOM   1755  CA  LEU B  91       2.718 -14.253  20.128  1.00 14.20           C  
-ATOM   1756  C   LEU B  91       2.527 -12.831  19.767  1.00  8.80           C  
-ATOM   1757  O   LEU B  91       2.160 -11.906  20.481  1.00 10.74           O  
-ATOM   1758  CB  LEU B  91       4.110 -14.807  20.432  1.00 12.00           C  
-ATOM   1759  CG  LEU B  91       4.669 -13.801  21.348  1.00 18.50           C  
-ATOM   1760  CD1 LEU B  91       4.127 -14.212  22.834  1.00 20.79           C  
-ATOM   1761  CD2 LEU B  91       5.943 -13.652  21.455  1.00 37.40           C  
-ATOM   1762  N   HIS B  92       3.059 -12.662  18.493  1.00 10.78           N  
-ATOM   1763  CA  HIS B  92       3.032 -11.268  18.253  1.00 11.85           C  
-ATOM   1764  C   HIS B  92       1.536 -10.600  17.895  1.00 11.06           C  
-ATOM   1765  O   HIS B  92       1.291  -9.431  18.158  1.00 13.45           O  
-ATOM   1766  CB  HIS B  92       3.754 -11.078  16.807  1.00  9.95           C  
-ATOM   1767  CG  HIS B  92       5.289 -10.900  17.051  1.00 15.50           C  
-ATOM   1768  ND1 HIS B  92       6.099 -12.172  17.134  1.00 15.27           N  
-ATOM   1769  CD2 HIS B  92       6.215  -9.905  16.994  1.00 23.76           C  
-ATOM   1770  CE1 HIS B  92       7.432 -11.572  17.375  1.00 16.99           C  
-ATOM   1771  NE2 HIS B  92       7.367 -10.337  17.129  1.00 14.76           N  
-ATOM   1772  N   CYS B  93       0.636 -11.512  17.534  1.00 14.83           N  
-ATOM   1773  CA  CYS B  93      -0.706 -11.057  17.499  1.00 12.23           C  
-ATOM   1774  C   CYS B  93      -1.360 -10.953  18.986  1.00 10.49           C  
-ATOM   1775  O   CYS B  93      -1.843  -9.987  19.222  1.00 18.01           O  
-ATOM   1776  CB  CYS B  93      -1.330 -12.054  16.605  1.00 15.43           C  
-ATOM   1777  SG  CYS B  93      -3.259 -11.741  16.494  1.00 18.37           S  
-ATOM   1778  N   ASP B  94      -1.338 -12.094  19.598  1.00 13.11           N  
-ATOM   1779  CA  ASP B  94      -2.308 -12.076  20.721  1.00 15.32           C  
-ATOM   1780  C   ASP B  94      -1.586 -11.449  21.803  1.00 25.71           C  
-ATOM   1781  O   ASP B  94      -2.319 -10.827  22.800  1.00 21.65           O  
-ATOM   1782  CB  ASP B  94      -2.522 -13.477  21.183  1.00 21.65           C  
-ATOM   1783  CG  ASP B  94      -3.443 -14.553  20.246  1.00 42.42           C  
-ATOM   1784  OD1 ASP B  94      -3.967 -13.792  19.626  1.00 30.02           O  
-ATOM   1785  OD2 ASP B  94      -3.094 -15.441  20.443  1.00 43.30           O  
-ATOM   1786  N   LYS B  95      -0.348 -11.361  22.144  1.00 18.55           N  
-ATOM   1787  CA  LYS B  95       0.080 -10.591  23.184  1.00 19.10           C  
-ATOM   1788  C   LYS B  95       0.803  -9.499  23.130  1.00 19.57           C  
-ATOM   1789  O   LYS B  95       0.736  -8.565  23.699  1.00 21.87           O  
-ATOM   1790  CB  LYS B  95       1.151 -11.737  23.890  1.00 25.95           C  
-ATOM   1791  CG  LYS B  95       0.477 -13.054  24.377  1.00 24.86           C  
-ATOM   1792  CD  LYS B  95      -0.659 -12.473  25.407  1.00 36.14           C  
-ATOM   1793  CE  LYS B  95      -1.063 -13.745  26.122  1.00 47.76           C  
-ATOM   1794  NZ  LYS B  95      -2.126 -13.501  26.952  1.00 55.91           N  
-ATOM   1795  N   LEU B  96       1.669  -9.358  21.897  1.00 12.40           N  
-ATOM   1796  CA  LEU B  96       2.264  -8.159  21.581  1.00 11.86           C  
-ATOM   1797  C   LEU B  96       1.626  -7.005  20.824  1.00 15.10           C  
-ATOM   1798  O   LEU B  96       2.002  -5.926  20.849  1.00 17.50           O  
-ATOM   1799  CB  LEU B  96       3.645  -8.491  21.134  1.00 14.08           C  
-ATOM   1800  CG  LEU B  96       4.528  -9.722  21.739  1.00 12.34           C  
-ATOM   1801  CD1 LEU B  96       5.778  -9.939  20.848  1.00 13.78           C  
-ATOM   1802  CD2 LEU B  96       4.863  -8.876  23.113  1.00 22.81           C  
-ATOM   1803  N   HIS B  97       0.616  -7.508  20.069  1.00 15.44           N  
-ATOM   1804  CA  HIS B  97      -0.223  -6.510  19.374  1.00 18.15           C  
-ATOM   1805  C   HIS B  97       0.581  -5.736  18.319  1.00 12.24           C  
-ATOM   1806  O   HIS B  97       0.337  -4.532  18.056  1.00 15.82           O  
-ATOM   1807  CB  HIS B  97      -1.053  -5.508  20.203  1.00 17.74           C  
-ATOM   1808  CG  HIS B  97      -1.716  -6.273  21.483  1.00 16.77           C  
-ATOM   1809  ND1 HIS B  97      -2.602  -7.310  21.250  1.00 19.56           N  
-ATOM   1810  CD2 HIS B  97      -1.189  -6.197  22.703  1.00 23.33           C  
-ATOM   1811  CE1 HIS B  97      -2.759  -7.812  22.476  1.00 19.82           C  
-ATOM   1812  NE2 HIS B  97      -2.056  -7.104  23.341  1.00 20.39           N  
-ATOM   1813  N   VAL B  98       1.359  -6.524  17.506  1.00 13.81           N  
-ATOM   1814  CA  VAL B  98       2.284  -5.763  16.567  1.00  9.22           C  
-ATOM   1815  C   VAL B  98       1.443  -5.905  15.109  1.00  9.86           C  
-ATOM   1816  O   VAL B  98       1.420  -7.012  14.615  1.00 12.90           O  
-ATOM   1817  CB  VAL B  98       3.592  -6.460  16.393  1.00  9.87           C  
-ATOM   1818  CG1 VAL B  98       4.438  -5.824  15.405  1.00 14.91           C  
-ATOM   1819  CG2 VAL B  98       4.444  -6.258  17.798  1.00 11.36           C  
-ATOM   1820  N   ASP B  99       1.147  -4.763  14.513  1.00 11.46           N  
-ATOM   1821  CA  ASP B  99       0.360  -4.723  13.272  1.00  9.02           C  
-ATOM   1822  C   ASP B  99       1.555  -5.328  12.375  1.00 15.41           C  
-ATOM   1823  O   ASP B  99       2.744  -4.931  12.235  1.00 10.63           O  
-ATOM   1824  CB  ASP B  99       0.336  -3.327  12.907  1.00  9.79           C  
-ATOM   1825  CG  ASP B  99      -0.231  -3.002  11.431  1.00 10.69           C  
-ATOM   1826  OD1 ASP B  99      -0.535  -1.748  11.309  1.00 15.04           O  
-ATOM   1827  OD2 ASP B  99      -0.299  -4.052  10.734  1.00 11.07           O  
-ATOM   1828  N   PRO B 100       1.274  -6.350  11.556  1.00 10.46           N  
-ATOM   1829  CA  PRO B 100       2.264  -7.099  10.669  1.00 11.87           C  
-ATOM   1830  C   PRO B 100       2.744  -6.170   9.522  1.00 13.04           C  
-ATOM   1831  O   PRO B 100       3.883  -6.627   8.995  1.00 13.79           O  
-ATOM   1832  CB  PRO B 100       1.545  -8.233  10.081  1.00 17.03           C  
-ATOM   1833  CG  PRO B 100       0.234  -8.243  10.793  1.00 17.33           C  
-ATOM   1834  CD  PRO B 100      -0.030  -7.028  11.592  1.00  9.97           C  
-ATOM   1835  N   GLU B 101       2.300  -4.973   9.393  1.00  9.66           N  
-ATOM   1836  CA  GLU B 101       2.927  -3.983   8.469  1.00 11.29           C  
-ATOM   1837  C   GLU B 101       4.322  -3.633   8.825  1.00 17.59           C  
-ATOM   1838  O   GLU B 101       5.293  -3.640   8.196  1.00 16.98           O  
-ATOM   1839  CB  GLU B 101       2.178  -2.819   8.156  1.00 18.71           C  
-ATOM   1840  CG  GLU B 101       2.755  -1.760   7.270  1.00 30.25           C  
-ATOM   1841  CD  GLU B 101       2.569  -2.612   5.445  1.00 26.27           C  
-ATOM   1842  OE1 GLU B 101       1.725  -3.411   5.564  1.00 25.29           O  
-ATOM   1843  OE2 GLU B 101       3.441  -1.765   5.293  1.00 34.30           O  
-ATOM   1844  N   ASN B 102       4.601  -3.752  10.314  1.00 12.60           N  
-ATOM   1845  CA  ASN B 102       5.969  -3.548  10.721  1.00  9.48           C  
-ATOM   1846  C   ASN B 102       6.861  -4.572  10.309  1.00  8.44           C  
-ATOM   1847  O   ASN B 102       8.118  -4.224  10.106  1.00 13.92           O  
-ATOM   1848  CB  ASN B 102       5.901  -3.665  12.265  1.00 18.27           C  
-ATOM   1849  CG  ASN B 102       5.284  -2.285  12.825  1.00 26.18           C  
-ATOM   1850  OD1 ASN B 102       5.641  -1.422  12.815  1.00 20.87           O  
-ATOM   1851  ND2 ASN B 102       4.003  -2.618  13.502  1.00 25.76           N  
-ATOM   1852  N   PHE B 103       6.584  -5.846  10.057  1.00 11.66           N  
-ATOM   1853  CA  PHE B 103       7.332  -6.920   9.605  1.00 11.79           C  
-ATOM   1854  C   PHE B 103       7.931  -6.435   8.177  1.00 19.35           C  
-ATOM   1855  O   PHE B 103       8.997  -6.751   7.762  1.00 16.06           O  
-ATOM   1856  CB  PHE B 103       6.816  -8.253   9.574  1.00 12.75           C  
-ATOM   1857  CG  PHE B 103       6.173  -8.727  10.951  1.00 17.48           C  
-ATOM   1858  CD1 PHE B 103       6.884  -8.372  12.079  1.00 13.65           C  
-ATOM   1859  CD2 PHE B 103       5.035  -9.335  10.925  1.00 13.36           C  
-ATOM   1860  CE1 PHE B 103       6.240  -8.652  13.315  1.00 14.94           C  
-ATOM   1861  CE2 PHE B 103       4.498  -9.665  12.273  1.00 14.24           C  
-ATOM   1862  CZ  PHE B 103       5.298  -9.364  13.368  1.00 19.61           C  
-ATOM   1863  N   ARG B 104       6.970  -5.873   7.380  1.00 13.60           N  
-ATOM   1864  CA  ARG B 104       7.430  -5.624   6.005  1.00 17.00           C  
-ATOM   1865  C   ARG B 104       8.326  -4.499   5.935  1.00 13.66           C  
-ATOM   1866  O   ARG B 104       9.337  -4.368   5.141  1.00 13.41           O  
-ATOM   1867  CB  ARG B 104       6.018  -5.177   5.223  1.00 18.62           C  
-ATOM   1868  CG  ARG B 104       5.137  -6.280   4.965  1.00 31.60           C  
-ATOM   1869  CD  ARG B 104       3.494  -6.093   4.370  1.00 44.99           C  
-ATOM   1870  NE  ARG B 104       2.810  -7.429   5.065  1.00 53.69           N  
-ATOM   1871  CZ  ARG B 104       1.600  -6.829   3.420  1.00 80.12           C  
-ATOM   1872  NH1 ARG B 104       0.761  -5.157   3.344  1.00 72.76           N  
-ATOM   1873  NH2 ARG B 104       1.186  -8.540   2.528  1.00 80.07           N  
-ATOM   1874  N   LEU B 105       8.064  -3.438   6.831  1.00 12.29           N  
-ATOM   1875  CA  LEU B 105       8.899  -2.275   6.982  1.00 11.07           C  
-ATOM   1876  C   LEU B 105      10.327  -2.808   7.482  1.00 13.91           C  
-ATOM   1877  O   LEU B 105      11.317  -2.347   6.887  1.00 14.94           O  
-ATOM   1878  CB  LEU B 105       8.443  -1.409   8.005  1.00 12.50           C  
-ATOM   1879  CG  LEU B 105       7.121  -0.514   7.549  1.00 17.21           C  
-ATOM   1880  CD1 LEU B 105       6.747   0.236   8.813  1.00 19.52           C  
-ATOM   1881  CD2 LEU B 105       7.420   0.384   6.353  1.00 25.82           C  
-ATOM   1882  N   LEU B 106      10.302  -3.738   8.415  1.00 16.16           N  
-ATOM   1883  CA  LEU B 106      11.679  -4.227   8.855  1.00 11.19           C  
-ATOM   1884  C   LEU B 106      12.325  -4.914   7.713  1.00 11.49           C  
-ATOM   1885  O   LEU B 106      13.544  -4.734   7.492  1.00 14.59           O  
-ATOM   1886  CB  LEU B 106      11.615  -5.043  10.074  1.00  9.57           C  
-ATOM   1887  CG  LEU B 106      12.904  -5.567  10.740  1.00 14.52           C  
-ATOM   1888  CD1 LEU B 106      13.738  -4.483  11.015  1.00 20.21           C  
-ATOM   1889  CD2 LEU B 106      12.609  -6.504  11.567  1.00 25.23           C  
-ATOM   1890  N   GLY B 107      11.728  -5.699   6.854  1.00  8.80           N  
-ATOM   1891  CA  GLY B 107      12.297  -6.476   5.851  1.00 11.35           C  
-ATOM   1892  C   GLY B 107      12.781  -5.426   4.844  1.00 11.83           C  
-ATOM   1893  O   GLY B 107      13.958  -5.700   4.332  1.00 14.42           O  
-ATOM   1894  N   ASN B 108      12.187  -4.243   4.553  1.00 11.55           N  
-ATOM   1895  CA  ASN B 108      12.802  -3.506   3.538  1.00  9.47           C  
-ATOM   1896  C   ASN B 108      14.026  -2.647   4.184  1.00  9.85           C  
-ATOM   1897  O   ASN B 108      14.983  -2.466   3.460  1.00 13.16           O  
-ATOM   1898  CB  ASN B 108      11.824  -2.458   3.182  1.00 16.47           C  
-ATOM   1899  CG  ASN B 108      10.727  -3.234   1.924  1.00 25.36           C  
-ATOM   1900  OD1 ASN B 108      11.335  -4.320   1.398  1.00 28.00           O  
-ATOM   1901  ND2 ASN B 108      10.036  -2.270   2.100  1.00 42.45           N  
-ATOM   1902  N   VAL B 109      14.008  -2.327   5.491  1.00 11.97           N  
-ATOM   1903  CA  VAL B 109      15.193  -1.717   6.001  1.00  8.99           C  
-ATOM   1904  C   VAL B 109      16.259  -2.676   6.124  1.00 12.55           C  
-ATOM   1905  O   VAL B 109      17.518  -2.304   5.902  1.00 13.71           O  
-ATOM   1906  CB  VAL B 109      14.853  -1.250   7.488  1.00 15.07           C  
-ATOM   1907  CG1 VAL B 109      16.100  -0.810   8.069  1.00 19.91           C  
-ATOM   1908  CG2 VAL B 109      13.852   0.066   7.393  1.00 15.78           C  
-ATOM   1909  N   LEU B 110      16.030  -4.023   6.388  1.00  9.97           N  
-ATOM   1910  CA  LEU B 110      17.059  -5.101   6.357  1.00  9.78           C  
-ATOM   1911  C   LEU B 110      17.764  -5.056   5.040  1.00 13.14           C  
-ATOM   1912  O   LEU B 110      18.980  -5.187   4.895  1.00 11.97           O  
-ATOM   1913  CB  LEU B 110      16.410  -6.369   6.847  1.00 11.11           C  
-ATOM   1914  CG  LEU B 110      17.490  -7.596   6.862  1.00 18.59           C  
-ATOM   1915  CD1 LEU B 110      18.696  -7.290   7.723  1.00 24.07           C  
-ATOM   1916  CD2 LEU B 110      17.031  -8.897   7.193  1.00 21.67           C  
-ATOM   1917  N   VAL B 111      17.015  -5.083   3.938  1.00 10.25           N  
-ATOM   1918  CA  VAL B 111      17.517  -5.121   2.535  1.00  8.08           C  
-ATOM   1919  C   VAL B 111      18.459  -3.959   2.465  1.00 10.10           C  
-ATOM   1920  O   VAL B 111      19.605  -3.960   1.822  1.00 14.18           O  
-ATOM   1921  CB  VAL B 111      16.320  -5.216   1.576  1.00 11.95           C  
-ATOM   1922  CG1 VAL B 111      16.949  -4.942   0.196  1.00 16.64           C  
-ATOM   1923  CG2 VAL B 111      15.888  -6.643   1.659  1.00 12.92           C  
-ATOM   1924  N   CYS B 112      18.155  -2.685   2.811  1.00 10.01           N  
-ATOM   1925  CA  CYS B 112      18.863  -1.400   2.699  1.00  9.19           C  
-ATOM   1926  C   CYS B 112      20.143  -1.657   3.581  1.00 14.92           C  
-ATOM   1927  O   CYS B 112      21.199  -1.284   3.015  1.00 13.93           O  
-ATOM   1928  CB  CYS B 112      18.369  -0.230   3.207  1.00 15.04           C  
-ATOM   1929  SG  CYS B 112      16.911   0.308   2.042  1.00 18.10           S  
-ATOM   1930  N   VAL B 113      19.969  -2.202   4.651  1.00  9.52           N  
-ATOM   1931  CA  VAL B 113      21.202  -2.512   5.398  1.00 11.92           C  
-ATOM   1932  C   VAL B 113      22.035  -3.532   4.865  1.00 15.57           C  
-ATOM   1933  O   VAL B 113      23.397  -3.138   4.862  1.00 13.38           O  
-ATOM   1934  CB  VAL B 113      20.888  -2.948   6.932  1.00 12.70           C  
-ATOM   1935  CG1 VAL B 113      22.031  -3.383   7.663  1.00 17.23           C  
-ATOM   1936  CG2 VAL B 113      20.282  -1.893   7.694  1.00 17.43           C  
-ATOM   1937  N   LEU B 114      21.768  -4.615   4.224  1.00 10.74           N  
-ATOM   1938  CA  LEU B 114      22.632  -5.454   3.485  1.00 10.20           C  
-ATOM   1939  C   LEU B 114      23.346  -4.641   2.455  1.00 10.87           C  
-ATOM   1940  O   LEU B 114      24.522  -5.071   2.156  1.00 12.76           O  
-ATOM   1941  CB  LEU B 114      21.856  -6.600   3.242  1.00  6.84           C  
-ATOM   1942  CG  LEU B 114      21.362  -7.530   4.328  1.00 10.74           C  
-ATOM   1943  CD1 LEU B 114      20.435  -8.554   3.798  1.00 15.38           C  
-ATOM   1944  CD2 LEU B 114      22.500  -8.141   5.077  1.00 21.35           C  
-ATOM   1945  N   ALA B 115      22.472  -3.897   1.677  1.00  9.28           N  
-ATOM   1946  CA  ALA B 115      23.134  -3.206   0.546  1.00  9.22           C  
-ATOM   1947  C   ALA B 115      24.284  -2.278   1.091  1.00  9.44           C  
-ATOM   1948  O   ALA B 115      25.320  -2.142   0.446  1.00 12.10           O  
-ATOM   1949  CB  ALA B 115      21.930  -2.539  -0.036  1.00 12.15           C  
-ATOM   1950  N   HIS B 116      23.975  -1.612   2.171  1.00 13.11           N  
-ATOM   1951  CA  HIS B 116      25.023  -0.593   2.641  1.00 12.81           C  
-ATOM   1952  C   HIS B 116      26.176  -1.395   3.061  1.00 18.85           C  
-ATOM   1953  O   HIS B 116      27.357  -0.986   2.878  1.00 16.05           O  
-ATOM   1954  CB  HIS B 116      24.442   0.070   3.767  1.00 17.43           C  
-ATOM   1955  CG  HIS B 116      25.164   1.158   4.279  1.00 27.80           C  
-ATOM   1956  ND1 HIS B 116      25.567   1.157   5.736  1.00 27.30           N  
-ATOM   1957  CD2 HIS B 116      25.793   2.195   3.793  1.00 25.62           C  
-ATOM   1958  CE1 HIS B 116      26.226   2.480   5.818  1.00 29.22           C  
-ATOM   1959  NE2 HIS B 116      26.570   2.986   4.660  1.00 26.05           N  
-ATOM   1960  N   HIS B 117      26.066  -2.490   3.850  1.00 11.35           N  
-ATOM   1961  CA  HIS B 117      27.064  -3.366   4.194  1.00 18.75           C  
-ATOM   1962  C   HIS B 117      27.881  -3.985   3.242  1.00 20.53           C  
-ATOM   1963  O   HIS B 117      29.104  -4.114   3.403  1.00 17.07           O  
-ATOM   1964  CB  HIS B 117      26.621  -4.637   5.175  1.00 19.57           C  
-ATOM   1965  CG  HIS B 117      27.096  -4.621   6.444  1.00 39.90           C  
-ATOM   1966  ND1 HIS B 117      26.039  -3.036   6.824  1.00 47.73           N  
-ATOM   1967  CD2 HIS B 117      28.146  -5.329   7.512  1.00 38.82           C  
-ATOM   1968  CE1 HIS B 117      26.295  -2.928   8.550  1.00 27.38           C  
-ATOM   1969  NE2 HIS B 117      26.763  -4.335   8.924  1.00 51.83           N  
-ATOM   1970  N   PHE B 118      27.367  -4.628   2.104  1.00 13.44           N  
-ATOM   1971  CA  PHE B 118      27.888  -5.419   1.096  1.00 13.47           C  
-ATOM   1972  C   PHE B 118      28.280  -4.574  -0.126  1.00 14.52           C  
-ATOM   1973  O   PHE B 118      29.082  -5.219  -0.874  1.00 15.85           O  
-ATOM   1974  CB  PHE B 118      27.174  -6.618   0.947  1.00 14.99           C  
-ATOM   1975  CG  PHE B 118      27.310  -7.470   1.980  1.00 22.65           C  
-ATOM   1976  CD1 PHE B 118      26.224  -7.666   2.855  1.00 28.61           C  
-ATOM   1977  CD2 PHE B 118      28.549  -8.159   2.601  1.00 34.26           C  
-ATOM   1978  CE1 PHE B 118      26.242  -8.675   3.981  1.00 29.50           C  
-ATOM   1979  CE2 PHE B 118      28.351  -9.080   3.277  1.00 36.60           C  
-ATOM   1980  CZ  PHE B 118      27.627  -9.130   4.417  1.00 30.15           C  
-ATOM   1981  N   GLY B 119      27.701  -3.412  -0.335  1.00 13.81           N  
-ATOM   1982  CA  GLY B 119      28.107  -2.567  -1.533  1.00 14.28           C  
-ATOM   1983  C   GLY B 119      27.814  -3.353  -2.686  1.00 17.07           C  
-ATOM   1984  O   GLY B 119      26.808  -4.212  -2.888  1.00 16.48           O  
-ATOM   1985  N   LYS B 120      28.740  -3.472  -3.465  1.00 19.17           N  
-ATOM   1986  CA  LYS B 120      28.535  -4.059  -4.848  1.00 27.00           C  
-ATOM   1987  C   LYS B 120      28.486  -5.640  -4.886  1.00 25.94           C  
-ATOM   1988  O   LYS B 120      27.868  -6.039  -5.935  1.00 20.66           O  
-ATOM   1989  CB  LYS B 120      29.863  -3.838  -5.852  1.00 31.85           C  
-ATOM   1990  CG  LYS B 120      30.960  -4.510  -5.562  1.00 36.58           C  
-ATOM   1991  CD  LYS B 120      32.161  -4.170  -6.625  1.00 49.76           C  
-ATOM   1992  CE  LYS B 120      33.201  -5.292  -5.966  1.00 55.47           C  
-ATOM   1993  NZ  LYS B 120      34.292  -5.686  -6.589  1.00 71.03           N  
-ATOM   1994  N   GLU B 121      28.720  -6.302  -3.902  1.00 20.26           N  
-ATOM   1995  CA  GLU B 121      28.393  -7.556  -3.778  1.00 15.17           C  
-ATOM   1996  C   GLU B 121      26.786  -7.871  -3.622  1.00 13.63           C  
-ATOM   1997  O   GLU B 121      26.362  -9.055  -3.923  1.00 17.16           O  
-ATOM   1998  CB  GLU B 121      29.233  -8.318  -2.533  1.00 29.40           C  
-ATOM   1999  CG  GLU B 121      29.541  -9.342  -2.700  1.00 50.25           C  
-ATOM   2000  CD  GLU B 121      30.241  -9.882  -0.830  1.00 42.74           C  
-ATOM   2001  OE1 GLU B 121      29.786 -11.667  -1.141  1.00 47.83           O  
-ATOM   2002  OE2 GLU B 121      31.217  -9.425  -1.168  1.00 34.52           O  
-ATOM   2003  N   PHE B 122      26.054  -6.831  -3.241  1.00 14.63           N  
-ATOM   2004  CA  PHE B 122      24.581  -7.077  -3.075  1.00 15.34           C  
-ATOM   2005  C   PHE B 122      24.015  -6.737  -4.532  1.00 13.61           C  
-ATOM   2006  O   PHE B 122      23.478  -5.701  -4.760  1.00 14.29           O  
-ATOM   2007  CB  PHE B 122      24.133  -6.005  -1.987  1.00 12.07           C  
-ATOM   2008  CG  PHE B 122      22.750  -6.466  -1.525  1.00 11.02           C  
-ATOM   2009  CD1 PHE B 122      22.540  -7.652  -0.894  1.00 16.65           C  
-ATOM   2010  CD2 PHE B 122      21.790  -5.593  -1.747  1.00 10.83           C  
-ATOM   2011  CE1 PHE B 122      21.288  -8.069  -0.329  1.00 13.73           C  
-ATOM   2012  CE2 PHE B 122      20.427  -5.937  -1.325  1.00 12.97           C  
-ATOM   2013  CZ  PHE B 122      20.322  -7.247  -0.672  1.00 16.05           C  
-ATOM   2014  N   THR B 123      24.216  -7.664  -5.332  1.00 18.07           N  
-ATOM   2015  CA  THR B 123      23.866  -7.444  -6.796  1.00 21.03           C  
-ATOM   2016  C   THR B 123      22.176  -7.347  -6.888  1.00 27.18           C  
-ATOM   2017  O   THR B 123      21.678  -7.911  -6.078  1.00 14.31           O  
-ATOM   2018  CB  THR B 123      24.352  -8.535  -7.622  1.00 19.82           C  
-ATOM   2019  OG1 THR B 123      24.030  -9.746  -7.305  1.00 17.47           O  
-ATOM   2020  CG2 THR B 123      25.945  -8.568  -7.681  1.00 22.67           C  
-ATOM   2021  N   PRO B 124      21.821  -7.033  -7.981  1.00 19.47           N  
-ATOM   2022  CA  PRO B 124      20.309  -7.060  -8.306  1.00 20.19           C  
-ATOM   2023  C   PRO B 124      19.874  -8.457  -8.199  1.00 20.69           C  
-ATOM   2024  O   PRO B 124      18.738  -8.543  -7.455  1.00 13.34           O  
-ATOM   2025  CB  PRO B 124      20.074  -6.480  -9.678  1.00 17.09           C  
-ATOM   2026  CG  PRO B 124      21.308  -5.510  -9.842  1.00 18.87           C  
-ATOM   2027  CD  PRO B 124      22.649  -6.190  -9.202  1.00 24.42           C  
-ATOM   2028  N   PRO B 125      20.354  -9.489  -8.576  1.00 16.20           N  
-ATOM   2029  CA  PRO B 125      19.952 -10.892  -8.433  1.00 16.84           C  
-ATOM   2030  C   PRO B 125      19.925 -11.341  -6.992  1.00 14.92           C  
-ATOM   2031  O   PRO B 125      18.950 -11.983  -6.530  1.00 16.05           O  
-ATOM   2032  CB  PRO B 125      20.675 -11.924  -9.198  1.00 19.48           C  
-ATOM   2033  CG  PRO B 125      21.240 -11.056 -10.143  1.00 21.56           C  
-ATOM   2034  CD  PRO B 125      21.611  -9.723  -9.654  1.00 25.73           C  
-ATOM   2035  N   VAL B 126      20.904 -10.923  -6.329  1.00 13.83           N  
-ATOM   2036  CA  VAL B 126      20.919 -11.183  -4.904  1.00 19.80           C  
-ATOM   2037  C   VAL B 126      20.061 -10.295  -4.143  1.00 14.89           C  
-ATOM   2038  O   VAL B 126      19.229 -10.946  -3.203  1.00 13.92           O  
-ATOM   2039  CB  VAL B 126      22.424 -10.769  -4.382  1.00 19.55           C  
-ATOM   2040  CG1 VAL B 126      22.408 -11.156  -2.912  1.00 21.55           C  
-ATOM   2041  CG2 VAL B 126      23.366 -11.841  -4.809  1.00 27.82           C  
-ATOM   2042  N   GLN B 127      19.711  -9.155  -4.321  1.00 13.64           N  
-ATOM   2043  CA  GLN B 127      18.607  -8.382  -3.880  1.00  9.72           C  
-ATOM   2044  C   GLN B 127      17.397  -9.130  -3.899  1.00 16.14           C  
-ATOM   2045  O   GLN B 127      16.431  -9.272  -3.189  1.00 12.24           O  
-ATOM   2046  CB  GLN B 127      18.574  -6.951  -4.292  1.00 13.15           C  
-ATOM   2047  CG  GLN B 127      17.258  -6.340  -3.818  1.00 13.42           C  
-ATOM   2048  CD  GLN B 127      17.180  -5.056  -4.465  1.00 16.28           C  
-ATOM   2049  OE1 GLN B 127      17.979  -4.488  -5.247  1.00 16.20           O  
-ATOM   2050  NE2 GLN B 127      16.107  -4.400  -4.118  1.00 19.47           N  
-ATOM   2051  N   ALA B 128      17.014  -9.478  -5.230  1.00 15.15           N  
-ATOM   2052  CA  ALA B 128      15.847 -10.225  -5.543  1.00 15.02           C  
-ATOM   2053  C   ALA B 128      15.496 -11.450  -4.737  1.00 11.97           C  
-ATOM   2054  O   ALA B 128      14.413 -11.642  -4.228  1.00 16.35           O  
-ATOM   2055  CB  ALA B 128      15.759 -10.403  -7.092  1.00 17.08           C  
-ATOM   2056  N   ALA B 129      16.462 -12.287  -4.461  1.00 13.66           N  
-ATOM   2057  CA  ALA B 129      16.408 -13.427  -3.647  1.00 13.76           C  
-ATOM   2058  C   ALA B 129      16.208 -12.966  -2.160  1.00 10.22           C  
-ATOM   2059  O   ALA B 129      15.192 -13.627  -1.584  1.00 10.46           O  
-ATOM   2060  CB  ALA B 129      17.632 -14.165  -3.702  1.00 13.23           C  
-ATOM   2061  N   TYR B 130      16.867 -11.953  -1.693  1.00 10.66           N  
-ATOM   2062  CA  TYR B 130      16.462 -11.629  -0.331  1.00 13.05           C  
-ATOM   2063  C   TYR B 130      15.102 -10.929  -0.163  1.00 11.70           C  
-ATOM   2064  O   TYR B 130      14.473 -11.012   0.813  1.00 11.83           O  
-ATOM   2065  CB  TYR B 130      17.543 -10.575   0.161  1.00 11.97           C  
-ATOM   2066  CG  TYR B 130      18.623 -11.287   0.924  1.00 13.90           C  
-ATOM   2067  CD1 TYR B 130      18.650 -11.526   2.272  1.00 15.61           C  
-ATOM   2068  CD2 TYR B 130      19.782 -11.574   0.237  1.00 14.18           C  
-ATOM   2069  CE1 TYR B 130      19.630 -12.272   2.811  1.00 19.97           C  
-ATOM   2070  CE2 TYR B 130      20.865 -12.543   0.889  1.00 19.65           C  
-ATOM   2071  CZ  TYR B 130      20.770 -12.571   2.260  1.00 22.28           C  
-ATOM   2072  OH  TYR B 130      21.731 -13.339   2.902  1.00 21.52           O  
-ATOM   2073  N   GLN B 131      14.606 -10.236  -1.202  1.00 12.03           N  
-ATOM   2074  CA  GLN B 131      13.282  -9.830  -1.214  1.00 12.03           C  
-ATOM   2075  C   GLN B 131      12.216 -10.851  -1.125  1.00 12.76           C  
-ATOM   2076  O   GLN B 131      11.369 -10.664  -0.189  1.00 15.09           O  
-ATOM   2077  CB  GLN B 131      12.944  -9.078  -2.464  1.00 14.85           C  
-ATOM   2078  CG  GLN B 131      13.735  -7.716  -2.449  1.00 19.57           C  
-ATOM   2079  CD  GLN B 131      13.251  -6.548  -1.638  1.00 22.82           C  
-ATOM   2080  OE1 GLN B 131      13.981  -5.553  -1.833  1.00 18.44           O  
-ATOM   2081  NE2 GLN B 131      12.251  -6.415  -0.990  1.00 16.43           N  
-ATOM   2082  N   LYS B 132      12.503 -11.991  -1.746  1.00 12.50           N  
-ATOM   2083  CA  LYS B 132      11.644 -13.098  -1.708  1.00 14.23           C  
-ATOM   2084  C   LYS B 132      11.592 -13.603  -0.224  1.00 17.46           C  
-ATOM   2085  O   LYS B 132      10.599 -13.851   0.497  1.00 14.87           O  
-ATOM   2086  CB  LYS B 132      11.937 -14.147  -2.452  1.00 19.74           C  
-ATOM   2087  CG  LYS B 132      11.561 -13.879  -3.966  1.00 26.28           C  
-ATOM   2088  CD  LYS B 132      11.989 -15.031  -4.739  1.00 31.58           C  
-ATOM   2089  CE  LYS B 132      11.660 -14.274  -6.180  1.00 32.98           C  
-ATOM   2090  NZ  LYS B 132      12.119 -15.998  -6.779  1.00 37.48           N  
-ATOM   2091  N   VAL B 133      12.856 -13.702   0.483  1.00 17.22           N  
-ATOM   2092  CA  VAL B 133      13.038 -14.205   1.805  1.00 11.45           C  
-ATOM   2093  C   VAL B 133      12.401 -13.319   2.840  1.00 11.90           C  
-ATOM   2094  O   VAL B 133      11.556 -13.799   3.731  1.00 13.71           O  
-ATOM   2095  CB  VAL B 133      14.459 -14.401   2.160  1.00 16.41           C  
-ATOM   2096  CG1 VAL B 133      14.632 -14.683   3.511  1.00 36.18           C  
-ATOM   2097  CG2 VAL B 133      15.014 -15.541   1.250  1.00 15.51           C  
-ATOM   2098  N   VAL B 134      12.512 -11.981   2.749  1.00 13.21           N  
-ATOM   2099  CA  VAL B 134      12.091 -11.081   3.574  1.00 12.26           C  
-ATOM   2100  C   VAL B 134      10.632 -11.128   3.483  1.00 16.19           C  
-ATOM   2101  O   VAL B 134       9.763 -10.888   4.517  1.00 17.40           O  
-ATOM   2102  CB  VAL B 134      12.356  -9.643   3.780  1.00 11.96           C  
-ATOM   2103  CG1 VAL B 134      13.841  -9.777   4.082  1.00 18.38           C  
-ATOM   2104  CG2 VAL B 134      12.314  -8.873   2.475  1.00 14.78           C  
-ATOM   2105  N   ALA B 135       9.938 -11.113   2.262  1.00 13.32           N  
-ATOM   2106  CA  ALA B 135       8.505 -11.237   2.119  1.00 21.37           C  
-ATOM   2107  C   ALA B 135       7.942 -12.494   2.777  1.00 17.09           C  
-ATOM   2108  O   ALA B 135       6.829 -12.512   3.348  1.00 17.43           O  
-ATOM   2109  CB  ALA B 135       8.135 -10.953   0.769  1.00 28.77           C  
-ATOM   2110  N   GLY B 136       8.572 -13.635   2.636  1.00 18.26           N  
-ATOM   2111  CA  GLY B 136       8.219 -15.058   3.189  1.00 19.82           C  
-ATOM   2112  C   GLY B 136       8.146 -14.912   4.633  1.00 16.67           C  
-ATOM   2113  O   GLY B 136       7.260 -15.405   5.231  1.00 15.34           O  
-ATOM   2114  N   VAL B 137       9.300 -14.354   5.275  1.00 19.06           N  
-ATOM   2115  CA  VAL B 137       9.275 -14.229   6.676  1.00 13.40           C  
-ATOM   2116  C   VAL B 137       8.222 -13.320   7.172  1.00 14.98           C  
-ATOM   2117  O   VAL B 137       7.448 -13.726   8.127  1.00 15.32           O  
-ATOM   2118  CB  VAL B 137      10.681 -13.683   7.141  1.00 12.05           C  
-ATOM   2119  CG1 VAL B 137      10.587 -13.517   8.589  1.00 24.37           C  
-ATOM   2120  CG2 VAL B 137      11.663 -14.723   6.701  1.00 11.44           C  
-ATOM   2121  N   ALA B 138       7.830 -12.223   6.567  1.00 14.63           N  
-ATOM   2122  CA  ALA B 138       6.739 -11.343   6.960  1.00 14.97           C  
-ATOM   2123  C   ALA B 138       5.477 -12.035   7.025  1.00 14.00           C  
-ATOM   2124  O   ALA B 138       4.520 -11.965   7.766  1.00 15.18           O  
-ATOM   2125  CB  ALA B 138       6.733 -10.129   6.135  1.00 21.60           C  
-ATOM   2126  N   ASN B 139       5.257 -12.632   5.801  1.00 14.76           N  
-ATOM   2127  CA  ASN B 139       3.965 -13.443   5.693  1.00 19.56           C  
-ATOM   2128  C   ASN B 139       3.788 -14.741   6.508  1.00 16.64           C  
-ATOM   2129  O   ASN B 139       2.773 -14.813   7.122  1.00 15.66           O  
-ATOM   2130  CB  ASN B 139       3.915 -14.281   4.273  1.00 32.30           C  
-ATOM   2131  CG  ASN B 139       3.642 -13.817   3.893  1.00 58.46           C  
-ATOM   2132  OD1 ASN B 139       3.350 -12.337   3.410  1.00 49.38           O  
-ATOM   2133  ND2 ASN B 139       4.138 -13.358   1.997  1.00 59.02           N  
-ATOM   2134  N   ALA B 140       4.975 -15.279   6.996  1.00 12.53           N  
-ATOM   2135  CA  ALA B 140       4.880 -16.341   7.880  1.00 19.39           C  
-ATOM   2136  C   ALA B 140       4.686 -15.725   9.225  1.00 15.37           C  
-ATOM   2137  O   ALA B 140       3.890 -16.337  10.107  1.00 15.92           O  
-ATOM   2138  CB  ALA B 140       6.298 -17.186   7.962  1.00 22.20           C  
-ATOM   2139  N   LEU B 141       5.135 -14.663   9.697  1.00 12.47           N  
-ATOM   2140  CA  LEU B 141       4.897 -13.957  10.913  1.00 15.63           C  
-ATOM   2141  C   LEU B 141       3.480 -13.697  11.034  1.00 21.66           C  
-ATOM   2142  O   LEU B 141       2.905 -13.294  12.092  1.00 17.40           O  
-ATOM   2143  CB  LEU B 141       5.926 -12.962  11.275  1.00 15.12           C  
-ATOM   2144  CG  LEU B 141       7.158 -13.407  11.868  1.00 17.02           C  
-ATOM   2145  CD1 LEU B 141       8.083 -12.226  12.076  1.00 19.94           C  
-ATOM   2146  CD2 LEU B 141       7.122 -13.935  13.238  1.00 21.74           C  
-ATOM   2147  N   ALA B 142       2.836 -13.244   9.876  1.00 12.86           N  
-ATOM   2148  CA  ALA B 142       1.608 -12.628   9.849  1.00 14.61           C  
-ATOM   2149  C   ALA B 142       0.405 -13.995   9.823  1.00 20.31           C  
-ATOM   2150  O   ALA B 142      -0.813 -13.424  10.022  1.00 18.06           O  
-ATOM   2151  CB  ALA B 142       1.282 -11.676   8.702  1.00 21.40           C  
-ATOM   2152  N   HIS B 143       0.842 -15.030   9.582  1.00 17.95           N  
-ATOM   2153  CA  HIS B 143       0.024 -16.256   9.074  1.00 26.37           C  
-ATOM   2154  C   HIS B 143      -1.200 -16.456  10.329  1.00 19.76           C  
-ATOM   2155  O   HIS B 143      -2.306 -16.886   9.956  1.00 21.59           O  
-ATOM   2156  CB  HIS B 143       0.773 -17.382   8.911  1.00 35.96           C  
-ATOM   2157  CG  HIS B 143      -0.236 -18.629   8.237  1.00 57.59           C  
-ATOM   2158  ND1 HIS B 143       0.057 -19.594   9.608  1.00 48.44           N  
-ATOM   2159  CD2 HIS B 143      -0.841 -18.281   7.293  1.00 54.87           C  
-ATOM   2160  CE1 HIS B 143      -0.983 -20.316   8.077  1.00 74.03           C  
-ATOM   2161  NE2 HIS B 143      -1.640 -19.381   7.013  1.00 57.99           N  
-ATOM   2162  N   LYS B 144      -0.804 -16.302  11.559  1.00 18.69           N  
-ATOM   2163  CA  LYS B 144      -1.735 -16.737  12.588  1.00 14.86           C  
-ATOM   2164  C   LYS B 144      -2.396 -15.617  12.962  1.00 16.55           C  
-ATOM   2165  O   LYS B 144      -3.129 -15.705  14.113  1.00 18.03           O  
-ATOM   2166  CB  LYS B 144      -0.819 -17.365  13.621  1.00 17.13           C  
-ATOM   2167  CG  LYS B 144      -0.392 -18.897  13.123  1.00 20.99           C  
-ATOM   2168  CD  LYS B 144      -1.238 -19.970  13.316  1.00 34.56           C  
-ATOM   2169  CE  LYS B 144      -2.035 -21.775  13.683  1.00 62.41           C  
-ATOM   2170  NZ  LYS B 144      -0.955 -22.424  15.226  1.00 62.40           N  
-ATOM   2171  N   TYR B 145      -2.408 -14.424  12.668  1.00 19.33           N  
-ATOM   2172  CA  TYR B 145      -3.111 -13.193  12.851  1.00 25.80           C  
-ATOM   2173  C   TYR B 145      -4.833 -13.485  12.942  1.00 37.10           C  
-ATOM   2174  O   TYR B 145      -4.989 -14.273  11.858  1.00 25.59           O  
-ATOM   2175  CB  TYR B 145      -2.815 -11.990  12.502  1.00 20.19           C  
-ATOM   2176  CG  TYR B 145      -1.513 -11.202  13.062  1.00 16.11           C  
-ATOM   2177  CD1 TYR B 145      -1.713 -10.043  13.732  1.00 13.84           C  
-ATOM   2178  CD2 TYR B 145      -0.444 -12.052  12.964  1.00 19.35           C  
-ATOM   2179  CE1 TYR B 145      -0.716  -9.470  14.306  1.00 14.00           C  
-ATOM   2180  CE2 TYR B 145       0.824 -11.431  13.760  1.00 16.15           C  
-ATOM   2181  CZ  TYR B 145       0.705 -10.123  14.396  1.00 11.23           C  
-ATOM   2182  OH  TYR B 145       1.824  -9.505  14.779  1.00 11.07           O  
-ATOM   2183  N   HIS B 146      -5.455 -13.156  13.610  1.00 22.40           N  
-ATOM   2184  CA  HIS B 146      -7.082 -13.260  13.817  1.00 24.36           C  
-ATOM   2185  C   HIS B 146      -7.642 -12.243  14.547  1.00 19.29           C  
-ATOM   2186  O   HIS B 146      -6.896 -11.423  15.229  1.00 20.20           O  
-ATOM   2187  CB  HIS B 146      -7.319 -14.676  14.251  1.00 17.91           C  
-ATOM   2188  CG  HIS B 146      -7.349 -14.408  16.278  1.00 30.29           C  
-ATOM   2189  ND1 HIS B 146      -7.504 -15.329  16.577  1.00 56.02           N  
-ATOM   2190  CD2 HIS B 146      -5.754 -14.700  16.400  1.00 32.02           C  
-ATOM   2191  CE1 HIS B 146      -6.763 -15.571  18.243  1.00 45.40           C  
-ATOM   2192  NE2 HIS B 146      -6.023 -14.569  17.782  1.00 35.25           N  
-ATOM   2193  OXT HIS B 146      -8.867 -12.118  14.478  1.00 28.98           O  
-TER    2194      HIS B 146                                                      
-ATOM   2195  N   VAL C   1      -6.932  15.801  -4.736  1.00 53.78           N  
-ATOM   2196  CA  VAL C   1      -6.986  18.132  -4.726  1.00 39.83           C  
-ATOM   2197  C   VAL C   1      -8.725  18.013  -5.289  1.00 29.73           C  
-ATOM   2198  O   VAL C   1      -9.322  17.317  -6.202  1.00 31.20           O  
-ATOM   2199  CB  VAL C   1      -6.406  17.702  -5.747  1.00 52.94           C  
-ATOM   2200  CG1 VAL C   1      -7.045  19.788  -6.149  1.00 47.73           C  
-ATOM   2201  CG2 VAL C   1      -5.138  19.765  -5.197  1.00 67.01           C  
-ATOM   2202  N   LEU C   2      -9.481  18.489  -4.357  1.00 33.50           N  
-ATOM   2203  CA  LEU C   2     -10.829  18.318  -4.244  1.00 35.54           C  
-ATOM   2204  C   LEU C   2     -11.593  19.461  -5.392  1.00 25.83           C  
-ATOM   2205  O   LEU C   2     -11.224  20.587  -4.763  1.00 37.30           O  
-ATOM   2206  CB  LEU C   2     -11.320  18.570  -2.993  1.00 38.49           C  
-ATOM   2207  CG  LEU C   2     -11.368  17.191  -2.068  1.00 34.89           C  
-ATOM   2208  CD1 LEU C   2     -11.559  17.406  -0.855  1.00 40.00           C  
-ATOM   2209  CD2 LEU C   2     -11.556  16.072  -2.571  1.00 36.30           C  
-ATOM   2210  N   SER C   3     -12.051  19.126  -6.445  1.00 20.82           N  
-ATOM   2211  CA  SER C   3     -12.764  20.102  -7.265  1.00 16.99           C  
-ATOM   2212  C   SER C   3     -13.851  20.641  -6.492  1.00 19.86           C  
-ATOM   2213  O   SER C   3     -14.562  20.118  -5.605  1.00 23.30           O  
-ATOM   2214  CB  SER C   3     -12.915  19.412  -8.479  1.00 21.69           C  
-ATOM   2215  OG  SER C   3     -14.045  18.617  -8.438  1.00 24.96           O  
-ATOM   2216  N   PRO C   4     -14.614  21.747  -7.040  1.00 27.73           N  
-ATOM   2217  CA  PRO C   4     -15.686  22.248  -6.606  1.00 18.30           C  
-ATOM   2218  C   PRO C   4     -16.940  21.185  -6.683  1.00 21.79           C  
-ATOM   2219  O   PRO C   4     -17.669  21.118  -5.776  1.00 30.78           O  
-ATOM   2220  CB  PRO C   4     -16.024  23.555  -7.534  1.00 35.17           C  
-ATOM   2221  CG  PRO C   4     -14.548  23.940  -7.997  1.00 39.10           C  
-ATOM   2222  CD  PRO C   4     -13.753  22.599  -7.931  1.00 33.69           C  
-ATOM   2223  N   ALA C   5     -16.700  20.569  -7.707  1.00 20.53           N  
-ATOM   2224  CA  ALA C   5     -17.694  19.448  -7.877  1.00 15.17           C  
-ATOM   2225  C   ALA C   5     -17.668  18.427  -6.566  1.00 17.36           C  
-ATOM   2226  O   ALA C   5     -18.567  17.818  -6.161  1.00 18.86           O  
-ATOM   2227  CB  ALA C   5     -17.845  18.678  -9.144  1.00 14.70           C  
-ATOM   2228  N   ASP C   6     -16.408  17.997  -6.530  1.00 17.28           N  
-ATOM   2229  CA  ASP C   6     -16.090  17.056  -5.440  1.00 13.65           C  
-ATOM   2230  C   ASP C   6     -16.737  17.558  -4.126  1.00 16.19           C  
-ATOM   2231  O   ASP C   6     -17.234  16.746  -3.292  1.00 18.77           O  
-ATOM   2232  CB  ASP C   6     -14.589  16.808  -5.234  1.00 14.90           C  
-ATOM   2233  CG  ASP C   6     -14.039  15.955  -6.391  1.00 15.46           C  
-ATOM   2234  OD1 ASP C   6     -14.772  14.926  -6.958  1.00 20.59           O  
-ATOM   2235  OD2 ASP C   6     -12.866  16.168  -6.605  1.00 19.80           O  
-ATOM   2236  N   LYS C   7     -16.400  18.816  -3.902  1.00 17.95           N  
-ATOM   2237  CA  LYS C   7     -17.103  19.561  -2.483  1.00 25.53           C  
-ATOM   2238  C   LYS C   7     -18.248  19.426  -2.208  1.00 19.12           C  
-ATOM   2239  O   LYS C   7     -18.931  19.046  -1.371  1.00 19.71           O  
-ATOM   2240  CB  LYS C   7     -16.318  20.793  -2.391  1.00 27.50           C  
-ATOM   2241  CG  LYS C   7     -14.901  20.741  -2.614  1.00 53.71           C  
-ATOM   2242  CD  LYS C   7     -13.993  22.186  -1.677  1.00 60.72           C  
-ATOM   2243  CE  LYS C   7     -13.186  22.490  -2.528  1.00 63.74           C  
-ATOM   2244  NZ  LYS C   7     -12.305  23.225  -2.858  1.00 80.12           N  
-ATOM   2245  N   THR C   8     -18.940  19.776  -3.501  1.00 18.59           N  
-ATOM   2246  CA  THR C   8     -20.439  19.567  -3.523  1.00 17.68           C  
-ATOM   2247  C   THR C   8     -21.010  18.410  -3.219  1.00 15.92           C  
-ATOM   2248  O   THR C   8     -21.956  18.189  -2.497  1.00 18.11           O  
-ATOM   2249  CB  THR C   8     -21.005  20.281  -5.121  1.00 18.41           C  
-ATOM   2250  OG1 THR C   8     -20.596  21.570  -4.936  1.00 22.00           O  
-ATOM   2251  CG2 THR C   8     -22.332  20.382  -5.020  1.00 19.72           C  
-ATOM   2252  N   ASN C   9     -20.389  17.337  -3.881  1.00 14.52           N  
-ATOM   2253  CA  ASN C   9     -20.679  15.854  -3.720  1.00 11.76           C  
-ATOM   2254  C   ASN C   9     -20.524  15.368  -2.372  1.00 13.43           C  
-ATOM   2255  O   ASN C   9     -21.452  14.760  -1.788  1.00 14.77           O  
-ATOM   2256  CB  ASN C   9     -19.952  14.978  -4.802  1.00 15.52           C  
-ATOM   2257  CG  ASN C   9     -20.502  14.902  -6.224  1.00 21.23           C  
-ATOM   2258  OD1 ASN C   9     -21.551  15.460  -6.366  1.00 17.78           O  
-ATOM   2259  ND2 ASN C   9     -19.655  14.764  -7.036  1.00 16.93           N  
-ATOM   2260  N   VAL C  10     -19.456  15.819  -1.845  1.00 15.37           N  
-ATOM   2261  CA  VAL C  10     -19.214  15.430  -0.511  1.00 15.09           C  
-ATOM   2262  C   VAL C  10     -20.248  16.151   0.791  1.00 19.82           C  
-ATOM   2263  O   VAL C  10     -20.653  15.344   1.499  1.00 21.55           O  
-ATOM   2264  CB  VAL C  10     -17.776  15.740  -0.056  1.00 23.83           C  
-ATOM   2265  CG1 VAL C  10     -17.369  15.319   1.491  1.00 26.38           C  
-ATOM   2266  CG2 VAL C  10     -16.835  14.843  -0.837  1.00 22.96           C  
-ATOM   2267  N   LYS C  11     -20.423  17.395   0.515  1.00 19.06           N  
-ATOM   2268  CA  LYS C  11     -21.545  18.040   1.267  1.00 21.27           C  
-ATOM   2269  C   LYS C  11     -22.705  17.621   1.194  1.00 24.36           C  
-ATOM   2270  O   LYS C  11     -23.497  17.219   2.050  1.00 26.88           O  
-ATOM   2271  CB  LYS C  11     -21.200  19.455   1.180  1.00 24.11           C  
-ATOM   2272  CG  LYS C  11     -19.982  20.187   1.471  1.00 39.96           C  
-ATOM   2273  CD  LYS C  11     -20.184  21.708   1.326  1.00 36.60           C  
-ATOM   2274  CE  LYS C  11     -19.119  22.424   1.599  1.00 40.99           C  
-ATOM   2275  NZ  LYS C  11     -18.303  23.379   0.156  1.00 57.68           N  
-ATOM   2276  N   ALA C  12     -23.071  17.255  -0.098  1.00 26.89           N  
-ATOM   2277  CA  ALA C  12     -24.190  16.574  -0.166  1.00 22.80           C  
-ATOM   2278  C   ALA C  12     -24.709  15.466   0.479  1.00 22.96           C  
-ATOM   2279  O   ALA C  12     -25.641  14.894   1.303  1.00 25.17           O  
-ATOM   2280  CB  ALA C  12     -24.758  16.354  -1.436  1.00 30.68           C  
-ATOM   2281  N   ALA C  13     -23.698  14.326   0.213  1.00 19.81           N  
-ATOM   2282  CA  ALA C  13     -23.581  12.980   0.775  1.00 20.52           C  
-ATOM   2283  C   ALA C  13     -23.620  13.074   2.219  1.00 17.10           C  
-ATOM   2284  O   ALA C  13     -24.459  12.346   2.958  1.00 22.70           O  
-ATOM   2285  CB  ALA C  13     -22.559  12.176   0.137  1.00 20.00           C  
-ATOM   2286  N   TRP C  14     -22.646  13.784   2.878  1.00 18.93           N  
-ATOM   2287  CA  TRP C  14     -22.430  13.732   4.346  1.00 19.61           C  
-ATOM   2288  C   TRP C  14     -23.567  14.473   4.894  1.00 29.50           C  
-ATOM   2289  O   TRP C  14     -24.277  14.100   6.022  1.00 22.89           O  
-ATOM   2290  CB  TRP C  14     -21.334  14.670   4.695  1.00 20.94           C  
-ATOM   2291  CG  TRP C  14     -20.803  14.092   5.924  1.00 20.44           C  
-ATOM   2292  CD1 TRP C  14     -21.097  15.028   7.151  1.00 25.06           C  
-ATOM   2293  CD2 TRP C  14     -20.135  12.848   6.216  1.00 19.23           C  
-ATOM   2294  NE1 TRP C  14     -20.337  14.117   8.027  1.00 26.03           N  
-ATOM   2295  CE2 TRP C  14     -19.941  12.969   7.773  1.00 27.20           C  
-ATOM   2296  CE3 TRP C  14     -19.861  11.878   5.555  1.00 24.26           C  
-ATOM   2297  CZ2 TRP C  14     -19.510  11.822   8.284  1.00 29.42           C  
-ATOM   2298  CZ3 TRP C  14     -19.277  10.605   6.015  1.00 27.47           C  
-ATOM   2299  CH2 TRP C  14     -19.230  10.798   7.728  1.00 31.11           C  
-ATOM   2300  N   GLY C  15     -24.359  15.298   4.516  1.00 39.26           N  
-ATOM   2301  CA  GLY C  15     -25.631  16.086   4.525  1.00 27.60           C  
-ATOM   2302  C   GLY C  15     -26.650  15.043   4.748  1.00 35.88           C  
-ATOM   2303  O   GLY C  15     -27.292  14.929   6.180  1.00 44.35           O  
-ATOM   2304  N   LYS C  16     -26.927  14.192   4.125  1.00 34.61           N  
-ATOM   2305  CA  LYS C  16     -27.870  13.141   3.632  1.00 36.98           C  
-ATOM   2306  C   LYS C  16     -27.538  12.020   5.023  1.00 26.09           C  
-ATOM   2307  O   LYS C  16     -28.345  11.313   5.635  1.00 33.01           O  
-ATOM   2308  CB  LYS C  16     -28.251  12.406   2.440  1.00 27.30           C  
-ATOM   2309  CG  LYS C  16     -30.036  12.836   1.831  1.00 50.84           C  
-ATOM   2310  CD  LYS C  16     -30.158  11.081   2.262  1.00 68.28           C  
-ATOM   2311  CE  LYS C  16     -32.371  10.866   2.370  1.00 73.16           C  
-ATOM   2312  NZ  LYS C  16     -32.038   9.453   3.272  1.00 69.52           N  
-ATOM   2313  N   VAL C  17     -26.252  12.133   5.573  1.00 35.88           N  
-ATOM   2314  CA  VAL C  17     -25.770  11.297   6.645  1.00 27.62           C  
-ATOM   2315  C   VAL C  17     -26.612  11.695   7.685  1.00 30.67           C  
-ATOM   2316  O   VAL C  17     -27.281  11.042   8.701  1.00 29.27           O  
-ATOM   2317  CB  VAL C  17     -24.169  10.853   6.795  1.00 24.84           C  
-ATOM   2318  CG1 VAL C  17     -23.946  10.589   8.064  1.00 24.66           C  
-ATOM   2319  CG2 VAL C  17     -23.794   9.916   5.483  1.00 36.95           C  
-ATOM   2320  N   GLY C  18     -26.104  13.085   7.958  1.00 37.42           N  
-ATOM   2321  CA  GLY C  18     -26.962  13.614   9.161  1.00 36.79           C  
-ATOM   2322  C   GLY C  18     -26.609  13.344  10.447  1.00 35.54           C  
-ATOM   2323  O   GLY C  18     -25.379  12.833  10.941  1.00 34.05           O  
-ATOM   2324  N   ALA C  19     -27.875  13.044  10.943  1.00 30.07           N  
-ATOM   2325  CA  ALA C  19     -27.686  12.652  12.207  1.00 42.34           C  
-ATOM   2326  C   ALA C  19     -27.441  11.246  12.497  1.00 38.75           C  
-ATOM   2327  O   ALA C  19     -27.016  10.579  13.697  1.00 34.11           O  
-ATOM   2328  CB  ALA C  19     -28.889  12.929  12.875  1.00 49.98           C  
-ATOM   2329  N   HIS C  20     -27.337  10.243  11.555  1.00 27.23           N  
-ATOM   2330  CA  HIS C  20     -26.912   8.767  11.705  1.00 31.96           C  
-ATOM   2331  C   HIS C  20     -25.296   8.716  11.689  1.00 24.34           C  
-ATOM   2332  O   HIS C  20     -24.833   7.499  11.716  1.00 23.07           O  
-ATOM   2333  CB  HIS C  20     -27.281   8.149  10.528  1.00 47.99           C  
-ATOM   2334  CG  HIS C  20     -28.926   8.104  10.076  1.00 49.70           C  
-ATOM   2335  ND1 HIS C  20     -29.432   7.280  11.405  1.00 46.00           N  
-ATOM   2336  CD2 HIS C  20     -29.730   9.020   9.630  1.00 46.72           C  
-ATOM   2337  CE1 HIS C  20     -31.098   7.852  11.111  1.00 49.28           C  
-ATOM   2338  NE2 HIS C  20     -30.830   8.671   9.800  1.00 51.94           N  
-ATOM   2339  N   ALA C  21     -24.619   9.813  11.399  1.00 28.71           N  
-ATOM   2340  CA  ALA C  21     -23.098   9.802  11.331  1.00 32.59           C  
-ATOM   2341  C   ALA C  21     -22.391   9.015  12.473  1.00 33.22           C  
-ATOM   2342  O   ALA C  21     -21.700   8.030  11.964  1.00 25.05           O  
-ATOM   2343  CB  ALA C  21     -22.805  11.312  11.238  1.00 28.99           C  
-ATOM   2344  N   GLY C  22     -22.670   8.973  13.605  1.00 30.50           N  
-ATOM   2345  CA  GLY C  22     -22.269   8.117  14.625  1.00 25.20           C  
-ATOM   2346  C   GLY C  22     -22.605   6.970  14.498  1.00 28.87           C  
-ATOM   2347  O   GLY C  22     -21.738   5.901  14.583  1.00 21.09           O  
-ATOM   2348  N   GLU C  23     -23.752   6.203  14.168  1.00 19.95           N  
-ATOM   2349  CA  GLU C  23     -24.151   4.976  13.969  1.00 21.38           C  
-ATOM   2350  C   GLU C  23     -23.181   4.329  12.723  1.00 15.02           C  
-ATOM   2351  O   GLU C  23     -22.815   3.097  12.742  1.00 16.54           O  
-ATOM   2352  CB  GLU C  23     -25.689   4.819  13.452  1.00 29.82           C  
-ATOM   2353  CG  GLU C  23     -26.106   3.452  13.736  1.00 36.93           C  
-ATOM   2354  CD  GLU C  23     -28.202   3.924  13.602  1.00 80.12           C  
-ATOM   2355  OE1 GLU C  23     -27.795   2.922  11.489  1.00 66.02           O  
-ATOM   2356  OE2 GLU C  23     -27.964   4.694  13.267  1.00 59.79           O  
-ATOM   2357  N   TYR C  24     -23.207   5.173  11.697  1.00 21.28           N  
-ATOM   2358  CA  TYR C  24     -22.418   4.812  10.585  1.00 19.46           C  
-ATOM   2359  C   TYR C  24     -20.849   4.466  10.860  1.00 15.33           C  
-ATOM   2360  O   TYR C  24     -20.148   3.754  10.360  1.00 13.77           O  
-ATOM   2361  CB  TYR C  24     -22.651   5.606   9.406  1.00 16.14           C  
-ATOM   2362  CG  TYR C  24     -24.080   5.727   8.793  1.00 13.71           C  
-ATOM   2363  CD1 TYR C  24     -24.170   6.732   7.640  1.00 24.76           C  
-ATOM   2364  CD2 TYR C  24     -25.002   4.824   9.337  1.00 21.84           C  
-ATOM   2365  CE1 TYR C  24     -25.645   6.832   7.377  1.00 25.66           C  
-ATOM   2366  CE2 TYR C  24     -26.453   4.934   8.784  1.00 17.49           C  
-ATOM   2367  CZ  TYR C  24     -26.325   5.877   7.791  1.00 27.32           C  
-ATOM   2368  OH  TYR C  24     -27.810   6.069   7.401  1.00 31.23           O  
-ATOM   2369  N   GLY C  25     -20.290   5.421  11.638  1.00 18.29           N  
-ATOM   2370  CA  GLY C  25     -19.027   5.388  12.069  1.00 15.33           C  
-ATOM   2371  C   GLY C  25     -18.807   4.272  12.918  1.00 12.64           C  
-ATOM   2372  O   GLY C  25     -17.733   3.304  12.661  1.00 15.23           O  
-ATOM   2373  N   ALA C  26     -19.542   3.599  13.820  1.00 16.00           N  
-ATOM   2374  CA  ALA C  26     -19.471   2.386  14.471  1.00 11.42           C  
-ATOM   2375  C   ALA C  26     -19.307   1.193  13.564  1.00 10.94           C  
-ATOM   2376  O   ALA C  26     -18.739   0.230  13.578  1.00 13.65           O  
-ATOM   2377  CB  ALA C  26     -20.512   2.232  15.656  1.00 11.99           C  
-ATOM   2378  N   GLU C  27     -20.425   1.260  12.521  1.00 12.87           N  
-ATOM   2379  CA  GLU C  27     -20.638   0.028  11.636  1.00 15.51           C  
-ATOM   2380  C   GLU C  27     -19.412   0.022  10.785  1.00 12.84           C  
-ATOM   2381  O   GLU C  27     -18.849  -1.119  10.534  1.00 15.95           O  
-ATOM   2382  CB  GLU C  27     -21.715   0.427  10.623  1.00 15.50           C  
-ATOM   2383  CG  GLU C  27     -21.926  -0.710   9.772  1.00 17.08           C  
-ATOM   2384  CD  GLU C  27     -23.164  -0.586   8.872  1.00 30.48           C  
-ATOM   2385  OE1 GLU C  27     -23.095  -0.770   7.588  1.00 18.71           O  
-ATOM   2386  OE2 GLU C  27     -24.194   0.119   9.312  1.00 24.16           O  
-ATOM   2387  N   ALA C  28     -18.789   1.258  10.332  1.00 11.36           N  
-ATOM   2388  CA  ALA C  28     -17.460   1.158   9.500  1.00  9.58           C  
-ATOM   2389  C   ALA C  28     -16.340   0.418  10.332  1.00  9.29           C  
-ATOM   2390  O   ALA C  28     -15.677  -0.370   9.760  1.00 12.64           O  
-ATOM   2391  CB  ALA C  28     -17.171   2.523   9.159  1.00 13.35           C  
-ATOM   2392  N   LEU C  29     -16.325   0.834  11.666  1.00 12.01           N  
-ATOM   2393  CA  LEU C  29     -15.240   0.036  12.460  1.00  9.42           C  
-ATOM   2394  C   LEU C  29     -15.351  -1.296  12.531  1.00  8.04           C  
-ATOM   2395  O   LEU C  29     -14.557  -2.221  12.462  1.00 11.27           O  
-ATOM   2396  CB  LEU C  29     -15.253   0.792  13.944  1.00 13.39           C  
-ATOM   2397  CG  LEU C  29     -14.671   2.120  14.000  1.00 14.28           C  
-ATOM   2398  CD1 LEU C  29     -15.060   2.641  15.229  1.00 21.17           C  
-ATOM   2399  CD2 LEU C  29     -13.328   2.186  13.586  1.00 17.52           C  
-ATOM   2400  N   GLU C  30     -16.582  -1.891  12.768  1.00 12.13           N  
-ATOM   2401  CA  GLU C  30     -17.039  -3.158  12.830  1.00 15.15           C  
-ATOM   2402  C   GLU C  30     -16.575  -3.834  11.597  1.00 15.74           C  
-ATOM   2403  O   GLU C  30     -16.144  -4.973  11.643  1.00 15.15           O  
-ATOM   2404  CB  GLU C  30     -18.512  -3.390  13.241  1.00 16.95           C  
-ATOM   2405  CG  GLU C  30     -18.749  -4.796  13.397  1.00 22.01           C  
-ATOM   2406  CD  GLU C  30     -20.492  -5.310  14.125  1.00 33.25           C  
-ATOM   2407  OE1 GLU C  30     -20.859  -4.170  14.215  1.00 33.78           O  
-ATOM   2408  OE2 GLU C  30     -20.298  -6.063  14.309  1.00 40.59           O  
-ATOM   2409  N   ARG C  31     -17.016  -3.172  10.500  1.00  9.68           N  
-ATOM   2410  CA  ARG C  31     -16.706  -3.791   9.173  1.00  8.70           C  
-ATOM   2411  C   ARG C  31     -15.092  -4.029   9.070  1.00 13.62           C  
-ATOM   2412  O   ARG C  31     -14.706  -5.080   8.618  1.00 13.67           O  
-ATOM   2413  CB  ARG C  31     -17.211  -2.898   8.144  1.00 12.42           C  
-ATOM   2414  CG  ARG C  31     -18.743  -3.121   7.942  1.00 11.84           C  
-ATOM   2415  CD  ARG C  31     -19.136  -2.201   6.911  1.00 15.20           C  
-ATOM   2416  NE  ARG C  31     -20.701  -2.256   6.631  1.00 14.19           N  
-ATOM   2417  CZ  ARG C  31     -21.363  -3.224   5.977  1.00 11.42           C  
-ATOM   2418  NH1 ARG C  31     -20.645  -4.259   5.462  1.00 11.92           N  
-ATOM   2419  NH2 ARG C  31     -22.607  -3.167   6.110  1.00 15.15           N  
-ATOM   2420  N   MET C  32     -14.391  -2.999   9.390  1.00 10.57           N  
-ATOM   2421  CA  MET C  32     -12.880  -2.985   9.431  1.00  8.16           C  
-ATOM   2422  C   MET C  32     -12.304  -4.106  10.303  1.00  7.80           C  
-ATOM   2423  O   MET C  32     -11.482  -4.880   9.804  1.00 11.64           O  
-ATOM   2424  CB  MET C  32     -12.387  -1.587   9.793  1.00  8.09           C  
-ATOM   2425  CG  MET C  32     -10.949  -1.623   9.744  1.00 11.10           C  
-ATOM   2426  SD  MET C  32     -10.226  -0.081  10.328  1.00 18.02           S  
-ATOM   2427  CE  MET C  32     -10.638  -0.209  12.043  1.00 20.04           C  
-ATOM   2428  N   PHE C  33     -12.802  -4.206  11.603  1.00 13.50           N  
-ATOM   2429  CA  PHE C  33     -12.271  -5.320  12.432  1.00 12.85           C  
-ATOM   2430  C   PHE C  33     -12.547  -6.578  11.951  1.00 15.05           C  
-ATOM   2431  O   PHE C  33     -11.717  -7.551  12.143  1.00 13.38           O  
-ATOM   2432  CB  PHE C  33     -12.756  -5.046  13.817  1.00 12.45           C  
-ATOM   2433  CG  PHE C  33     -12.568  -3.710  14.467  1.00 10.81           C  
-ATOM   2434  CD1 PHE C  33     -11.266  -3.320  14.428  1.00 14.60           C  
-ATOM   2435  CD2 PHE C  33     -13.526  -3.151  15.305  1.00 15.15           C  
-ATOM   2436  CE1 PHE C  33     -10.894  -2.155  15.062  1.00 15.80           C  
-ATOM   2437  CE2 PHE C  33     -13.010  -1.947  15.768  1.00 13.43           C  
-ATOM   2438  CZ  PHE C  33     -11.786  -1.494  15.661  1.00 22.23           C  
-ATOM   2439  N   LEU C  34     -13.672  -6.909  11.292  1.00 11.85           N  
-ATOM   2440  CA  LEU C  34     -14.025  -8.262  10.744  1.00 12.31           C  
-ATOM   2441  C   LEU C  34     -13.308  -8.546   9.433  1.00 15.72           C  
-ATOM   2442  O   LEU C  34     -12.814  -9.634   9.197  1.00 19.67           O  
-ATOM   2443  CB  LEU C  34     -15.490  -8.519  10.506  1.00 16.89           C  
-ATOM   2444  CG  LEU C  34     -16.308  -8.523  11.809  1.00 26.21           C  
-ATOM   2445  CD1 LEU C  34     -17.801  -8.703  11.585  1.00 26.59           C  
-ATOM   2446  CD2 LEU C  34     -15.886  -9.544  12.837  1.00 38.34           C  
-ATOM   2447  N   SER C  35     -13.287  -7.520   8.527  1.00 12.82           N  
-ATOM   2448  CA  SER C  35     -12.594  -7.794   7.329  1.00 10.93           C  
-ATOM   2449  C   SER C  35     -11.162  -7.828   7.166  1.00 14.27           C  
-ATOM   2450  O   SER C  35     -10.505  -8.327   6.376  1.00 16.71           O  
-ATOM   2451  CB  SER C  35     -13.015  -6.732   6.237  1.00 13.98           C  
-ATOM   2452  OG  SER C  35     -14.406  -6.851   5.967  1.00 18.75           O  
-ATOM   2453  N   PHE C  36     -10.441  -6.974   8.104  1.00 11.09           N  
-ATOM   2454  CA  PHE C  36      -9.024  -6.696   8.153  1.00 10.70           C  
-ATOM   2455  C   PHE C  36      -8.606  -6.742   9.707  1.00 13.97           C  
-ATOM   2456  O   PHE C  36      -8.344  -5.778  10.402  1.00 16.32           O  
-ATOM   2457  CB  PHE C  36      -8.759  -5.327   7.682  1.00 12.71           C  
-ATOM   2458  CG  PHE C  36      -9.244  -5.034   6.227  1.00 14.13           C  
-ATOM   2459  CD1 PHE C  36     -10.405  -4.227   6.071  1.00 14.98           C  
-ATOM   2460  CD2 PHE C  36      -8.716  -5.826   5.029  1.00 21.47           C  
-ATOM   2461  CE1 PHE C  36     -10.962  -3.950   4.805  1.00 23.41           C  
-ATOM   2462  CE2 PHE C  36      -9.304  -5.498   3.966  1.00 24.62           C  
-ATOM   2463  CZ  PHE C  36     -10.428  -4.612   3.839  1.00 15.55           C  
-ATOM   2464  N   PRO C  37      -8.487  -8.050   9.947  1.00 18.65           N  
-ATOM   2465  CA  PRO C  37      -8.320  -8.334  11.359  1.00 17.35           C  
-ATOM   2466  C   PRO C  37      -6.962  -7.708  12.012  1.00 18.35           C  
-ATOM   2467  O   PRO C  37      -6.854  -7.465  13.248  1.00 14.04           O  
-ATOM   2468  CB  PRO C  37      -8.349  -9.870  11.562  1.00 27.87           C  
-ATOM   2469  CG  PRO C  37      -8.429 -10.372  10.373  1.00 37.42           C  
-ATOM   2470  CD  PRO C  37      -8.767  -9.192   9.450  1.00 22.48           C  
-ATOM   2471  N   THR C  38      -6.066  -7.410  11.173  1.00 12.63           N  
-ATOM   2472  CA  THR C  38      -4.834  -6.636  11.753  1.00 17.25           C  
-ATOM   2473  C   THR C  38      -5.049  -5.478  12.414  1.00 15.32           C  
-ATOM   2474  O   THR C  38      -4.264  -5.001  13.219  1.00 11.09           O  
-ATOM   2475  CB  THR C  38      -3.639  -7.011  10.452  1.00 12.40           C  
-ATOM   2476  OG1 THR C  38      -4.178  -5.757   9.596  1.00 15.33           O  
-ATOM   2477  CG2 THR C  38      -4.507  -7.126   9.385  1.00 80.12           C  
-ATOM   2478  N   THR C  39      -6.072  -4.797  11.866  1.00 10.35           N  
-ATOM   2479  CA  THR C  39      -6.458  -3.530  12.499  1.00 11.60           C  
-ATOM   2480  C   THR C  39      -6.867  -3.675  13.987  1.00 11.25           C  
-ATOM   2481  O   THR C  39      -6.719  -2.683  14.751  1.00 15.31           O  
-ATOM   2482  CB  THR C  39      -7.618  -2.839  11.782  1.00 10.41           C  
-ATOM   2483  OG1 THR C  39      -8.902  -3.535  11.780  1.00  8.43           O  
-ATOM   2484  CG2 THR C  39      -7.110  -2.694  10.278  1.00  7.27           C  
-ATOM   2485  N   LYS C  40      -7.142  -4.800  14.416  1.00 12.10           N  
-ATOM   2486  CA  LYS C  40      -7.571  -4.948  15.946  1.00 12.37           C  
-ATOM   2487  C   LYS C  40      -6.340  -4.815  16.822  1.00 12.69           C  
-ATOM   2488  O   LYS C  40      -6.554  -4.646  17.995  1.00 13.50           O  
-ATOM   2489  CB  LYS C  40      -8.135  -6.441  16.142  1.00 13.01           C  
-ATOM   2490  CG  LYS C  40      -9.508  -6.644  15.446  1.00 16.35           C  
-ATOM   2491  CD  LYS C  40      -9.585  -8.284  15.551  1.00 21.60           C  
-ATOM   2492  CE  LYS C  40     -10.395  -8.518  15.432  1.00 41.58           C  
-ATOM   2493  NZ  LYS C  40     -10.104 -10.161  15.709  1.00 24.62           N  
-ATOM   2494  N   THR C  41      -5.213  -4.883  16.231  1.00 15.39           N  
-ATOM   2495  CA  THR C  41      -3.858  -4.878  17.048  1.00 15.24           C  
-ATOM   2496  C   THR C  41      -3.895  -3.538  17.513  1.00 24.53           C  
-ATOM   2497  O   THR C  41      -3.052  -3.276  18.625  1.00 20.94           O  
-ATOM   2498  CB  THR C  41      -2.611  -5.058  16.204  1.00 10.27           C  
-ATOM   2499  OG1 THR C  41      -2.473  -4.084  15.265  1.00 10.56           O  
-ATOM   2500  CG2 THR C  41      -2.649  -6.370  15.637  1.00 13.16           C  
-ATOM   2501  N   TYR C  42      -4.559  -2.347  17.313  1.00 15.74           N  
-ATOM   2502  CA  TYR C  42      -4.420  -1.045  17.757  1.00 10.60           C  
-ATOM   2503  C   TYR C  42      -5.479  -0.829  18.921  1.00 12.75           C  
-ATOM   2504  O   TYR C  42      -5.553   0.201  19.530  1.00 15.68           O  
-ATOM   2505  CB  TYR C  42      -4.800   0.068  16.774  1.00 16.68           C  
-ATOM   2506  CG  TYR C  42      -3.607  -0.087  15.746  1.00 10.99           C  
-ATOM   2507  CD1 TYR C  42      -2.328   0.661  16.011  1.00 17.16           C  
-ATOM   2508  CD2 TYR C  42      -3.699  -0.743  14.478  1.00 12.51           C  
-ATOM   2509  CE1 TYR C  42      -1.337   0.521  15.154  1.00 15.83           C  
-ATOM   2510  CE2 TYR C  42      -2.696  -0.758  13.617  1.00 12.91           C  
-ATOM   2511  CZ  TYR C  42      -1.386  -0.114  13.943  1.00 12.97           C  
-ATOM   2512  OH  TYR C  42      -0.401  -0.078  12.976  1.00 13.25           O  
-ATOM   2513  N   PHE C  43      -6.271  -1.850  19.113  1.00 15.49           N  
-ATOM   2514  CA  PHE C  43      -7.459  -1.760  20.167  1.00 17.75           C  
-ATOM   2515  C   PHE C  43      -7.514  -3.016  21.053  1.00 20.04           C  
-ATOM   2516  O   PHE C  43      -8.605  -3.535  21.334  1.00 17.05           O  
-ATOM   2517  CB  PHE C  43      -8.817  -1.519  19.333  1.00 26.70           C  
-ATOM   2518  CG  PHE C  43      -8.906  -0.392  18.437  1.00 14.42           C  
-ATOM   2519  CD1 PHE C  43      -8.473  -0.554  17.054  1.00 15.73           C  
-ATOM   2520  CD2 PHE C  43      -9.700   0.777  18.998  1.00 15.90           C  
-ATOM   2521  CE1 PHE C  43      -8.663   0.579  16.317  1.00 16.99           C  
-ATOM   2522  CE2 PHE C  43      -9.585   1.781  18.059  1.00 19.76           C  
-ATOM   2523  CZ  PHE C  43      -9.193   1.883  16.726  1.00 10.96           C  
-ATOM   2524  N   PRO C  44      -6.303  -3.266  21.758  1.00 17.51           N  
-ATOM   2525  CA  PRO C  44      -6.430  -4.575  22.577  1.00 22.01           C  
-ATOM   2526  C   PRO C  44      -7.021  -4.034  23.952  1.00 23.34           C  
-ATOM   2527  O   PRO C  44      -7.479  -5.004  24.549  1.00 23.67           O  
-ATOM   2528  CB  PRO C  44      -4.725  -4.600  22.823  1.00 28.76           C  
-ATOM   2529  CG  PRO C  44      -4.302  -3.265  22.722  1.00 30.00           C  
-ATOM   2530  CD  PRO C  44      -5.000  -2.496  21.564  1.00 18.17           C  
-ATOM   2531  N   HIS C  45      -7.313  -2.986  24.170  1.00 23.82           N  
-ATOM   2532  CA  HIS C  45      -8.129  -2.454  25.363  1.00 24.33           C  
-ATOM   2533  C   HIS C  45      -9.774  -2.425  25.223  1.00 36.67           C  
-ATOM   2534  O   HIS C  45     -10.201  -1.856  26.159  1.00 32.61           O  
-ATOM   2535  CB  HIS C  45      -7.724  -1.122  25.714  1.00 29.73           C  
-ATOM   2536  CG  HIS C  45      -7.512   0.207  24.830  1.00 29.43           C  
-ATOM   2537  ND1 HIS C  45      -6.904  -0.240  23.536  1.00 26.84           N  
-ATOM   2538  CD2 HIS C  45      -8.212   1.313  24.765  1.00 33.54           C  
-ATOM   2539  CE1 HIS C  45      -7.241   0.770  23.119  1.00 37.75           C  
-ATOM   2540  NE2 HIS C  45      -7.901   1.880  23.651  1.00 39.11           N  
-ATOM   2541  N   PHE C  46     -10.097  -2.588  23.981  1.00 19.71           N  
-ATOM   2542  CA  PHE C  46     -11.427  -2.447  23.784  1.00 16.71           C  
-ATOM   2543  C   PHE C  46     -11.984  -3.704  23.878  1.00 21.27           C  
-ATOM   2544  O   PHE C  46     -11.601  -4.890  23.408  1.00 23.84           O  
-ATOM   2545  CB  PHE C  46     -11.721  -1.909  22.223  1.00 21.57           C  
-ATOM   2546  CG  PHE C  46     -11.812  -0.571  22.355  1.00 17.89           C  
-ATOM   2547  CD1 PHE C  46     -12.584   0.134  21.407  1.00 29.22           C  
-ATOM   2548  CD2 PHE C  46     -11.092   0.466  22.932  1.00 29.35           C  
-ATOM   2549  CE1 PHE C  46     -12.539   1.579  21.231  1.00 23.51           C  
-ATOM   2550  CE2 PHE C  46     -11.283   1.342  22.737  1.00 34.19           C  
-ATOM   2551  CZ  PHE C  46     -11.794   2.381  21.680  1.00 30.38           C  
-ATOM   2552  N   ASP C  47     -13.484  -3.924  24.123  1.00 21.22           N  
-ATOM   2553  CA  ASP C  47     -14.200  -5.093  23.710  1.00 21.17           C  
-ATOM   2554  C   ASP C  47     -14.972  -4.945  22.231  1.00 15.44           C  
-ATOM   2555  O   ASP C  47     -15.394  -3.747  22.085  1.00 19.22           O  
-ATOM   2556  CB  ASP C  47     -15.564  -4.912  24.743  1.00 26.87           C  
-ATOM   2557  CG  ASP C  47     -16.291  -6.456  24.524  1.00 44.60           C  
-ATOM   2558  OD1 ASP C  47     -16.314  -6.539  23.491  1.00 38.14           O  
-ATOM   2559  OD2 ASP C  47     -17.247  -6.397  25.386  1.00 35.16           O  
-ATOM   2560  N   LEU C  48     -14.283  -5.744  21.445  1.00 20.23           N  
-ATOM   2561  CA  LEU C  48     -14.738  -5.455  19.945  1.00 22.13           C  
-ATOM   2562  C   LEU C  48     -15.716  -6.250  19.550  1.00 26.79           C  
-ATOM   2563  O   LEU C  48     -16.269  -6.380  18.272  1.00 28.79           O  
-ATOM   2564  CB  LEU C  48     -13.468  -5.863  19.207  1.00 20.10           C  
-ATOM   2565  CG  LEU C  48     -12.283  -5.143  19.138  1.00 22.13           C  
-ATOM   2566  CD1 LEU C  48     -10.976  -5.443  18.455  1.00 30.66           C  
-ATOM   2567  CD2 LEU C  48     -12.440  -3.412  19.024  1.00 21.27           C  
-ATOM   2568  N   SER C  49     -16.750  -6.795  20.348  1.00 29.67           N  
-ATOM   2569  CA  SER C  49     -17.996  -7.682  20.348  1.00 26.45           C  
-ATOM   2570  C   SER C  49     -18.688  -6.784  19.661  1.00 19.97           C  
-ATOM   2571  O   SER C  49     -18.950  -5.536  19.662  1.00 20.96           O  
-ATOM   2572  CB  SER C  49     -18.391  -8.577  21.574  1.00 26.72           C  
-ATOM   2573  OG  SER C  49     -18.238  -7.994  22.499  1.00 34.29           O  
-ATOM   2574  N   HIS C  50     -19.776  -7.581  18.833  1.00 28.23           N  
-ATOM   2575  CA  HIS C  50     -20.784  -6.859  18.155  1.00 26.06           C  
-ATOM   2576  C   HIS C  50     -21.742  -6.003  19.283  1.00 24.81           C  
-ATOM   2577  O   HIS C  50     -21.976  -6.730  20.143  1.00 27.33           O  
-ATOM   2578  CB  HIS C  50     -21.772  -7.860  17.171  1.00 33.58           C  
-ATOM   2579  CG  HIS C  50     -22.495  -6.997  16.501  1.00 21.75           C  
-ATOM   2580  ND1 HIS C  50     -24.098  -7.224  16.903  1.00 37.61           N  
-ATOM   2581  CD2 HIS C  50     -22.721  -6.030  15.749  1.00 24.11           C  
-ATOM   2582  CE1 HIS C  50     -24.713  -6.289  16.301  1.00 35.12           C  
-ATOM   2583  NE2 HIS C  50     -23.972  -5.305  15.362  1.00 42.35           N  
-ATOM   2584  N   GLY C  51     -21.911  -4.827  19.019  1.00 24.42           N  
-ATOM   2585  CA  GLY C  51     -22.633  -4.098  19.831  1.00 26.56           C  
-ATOM   2586  C   GLY C  51     -22.082  -3.387  20.930  1.00 23.39           C  
-ATOM   2587  O   GLY C  51     -22.536  -2.501  21.731  1.00 25.53           O  
-ATOM   2588  N   SER C  52     -20.724  -3.498  20.885  1.00 22.06           N  
-ATOM   2589  CA  SER C  52     -19.739  -2.846  21.982  1.00 25.03           C  
-ATOM   2590  C   SER C  52     -19.903  -1.593  22.193  1.00 31.37           C  
-ATOM   2591  O   SER C  52     -19.945  -0.663  21.200  1.00 22.94           O  
-ATOM   2592  CB  SER C  52     -18.376  -3.162  21.704  1.00 30.26           C  
-ATOM   2593  OG  SER C  52     -17.567  -2.497  22.631  1.00 21.66           O  
-ATOM   2594  N   ALA C  53     -20.311  -0.885  23.302  1.00 22.15           N  
-ATOM   2595  CA  ALA C  53     -20.223   0.561  23.639  1.00 29.32           C  
-ATOM   2596  C   ALA C  53     -19.008   1.341  23.195  1.00 23.50           C  
-ATOM   2597  O   ALA C  53     -19.144   2.489  22.964  1.00 19.56           O  
-ATOM   2598  CB  ALA C  53     -21.016   0.770  24.778  1.00 46.37           C  
-ATOM   2599  N   GLN C  54     -18.075   0.456  23.565  1.00 20.69           N  
-ATOM   2600  CA  GLN C  54     -16.671   1.124  23.388  1.00 22.13           C  
-ATOM   2601  C   GLN C  54     -16.498   1.625  21.724  1.00 21.00           C  
-ATOM   2602  O   GLN C  54     -15.986   2.677  21.452  1.00 19.66           O  
-ATOM   2603  CB  GLN C  54     -15.533   0.388  23.780  1.00 23.01           C  
-ATOM   2604  CG  GLN C  54     -15.387   0.264  25.146  1.00 26.98           C  
-ATOM   2605  CD  GLN C  54     -14.244  -0.704  25.751  1.00 17.64           C  
-ATOM   2606  OE1 GLN C  54     -14.213  -1.867  25.317  1.00 23.97           O  
-ATOM   2607  NE2 GLN C  54     -13.269  -0.029  26.343  1.00 35.16           N  
-ATOM   2608  N   VAL C  55     -16.998   0.495  20.976  1.00 18.58           N  
-ATOM   2609  CA  VAL C  55     -16.782   0.728  19.397  1.00 18.23           C  
-ATOM   2610  C   VAL C  55     -17.788   1.835  19.121  1.00 15.73           C  
-ATOM   2611  O   VAL C  55     -17.557   2.638  18.250  1.00 16.15           O  
-ATOM   2612  CB  VAL C  55     -17.023  -0.655  18.769  1.00 16.13           C  
-ATOM   2613  CG1 VAL C  55     -17.141  -0.282  17.289  1.00 22.56           C  
-ATOM   2614  CG2 VAL C  55     -15.953  -1.526  19.088  1.00 16.34           C  
-ATOM   2615  N   LYS C  56     -19.064   1.844  19.638  1.00 17.00           N  
-ATOM   2616  CA  LYS C  56     -20.011   2.798  19.335  1.00 18.57           C  
-ATOM   2617  C   LYS C  56     -19.657   4.015  19.595  1.00 20.36           C  
-ATOM   2618  O   LYS C  56     -19.638   5.117  18.950  1.00 20.10           O  
-ATOM   2619  CB  LYS C  56     -21.306   2.565  20.099  1.00 27.04           C  
-ATOM   2620  CG  LYS C  56     -22.017   1.239  19.517  1.00 42.35           C  
-ATOM   2621  CD  LYS C  56     -23.983   2.334  19.796  1.00 43.36           C  
-ATOM   2622  CE  LYS C  56     -24.238  -0.016  19.420  1.00 48.38           C  
-ATOM   2623  NZ  LYS C  56     -25.547   0.420  20.454  1.00 67.70           N  
-ATOM   2624  N   GLY C  57     -18.873   4.239  20.758  1.00 16.00           N  
-ATOM   2625  CA  GLY C  57     -18.397   5.432  21.231  1.00 21.54           C  
-ATOM   2626  C   GLY C  57     -17.299   6.086  20.387  1.00 18.61           C  
-ATOM   2627  O   GLY C  57     -17.174   7.416  20.069  1.00 24.59           O  
-ATOM   2628  N   HIS C  58     -16.421   5.133  20.063  1.00 15.81           N  
-ATOM   2629  CA  HIS C  58     -15.259   5.492  19.163  1.00 16.10           C  
-ATOM   2630  C   HIS C  58     -15.968   5.977  17.705  1.00 21.16           C  
-ATOM   2631  O   HIS C  58     -15.334   6.873  17.165  1.00 17.74           O  
-ATOM   2632  CB  HIS C  58     -14.298   4.450  19.037  1.00 15.43           C  
-ATOM   2633  CG  HIS C  58     -13.084   4.816  18.336  1.00 18.98           C  
-ATOM   2634  ND1 HIS C  58     -12.377   5.886  18.887  1.00 21.14           N  
-ATOM   2635  CD2 HIS C  58     -12.537   4.339  17.359  1.00 16.95           C  
-ATOM   2636  CE1 HIS C  58     -11.397   5.896  17.811  1.00 21.77           C  
-ATOM   2637  NE2 HIS C  58     -11.418   4.951  16.789  1.00 17.45           N  
-ATOM   2638  N   GLY C  59     -16.820   5.155  17.321  1.00 20.04           N  
-ATOM   2639  CA  GLY C  59     -17.341   5.505  16.148  1.00 24.32           C  
-ATOM   2640  C   GLY C  59     -18.005   6.810  15.949  1.00 16.44           C  
-ATOM   2641  O   GLY C  59     -17.768   7.655  14.926  1.00 16.63           O  
-ATOM   2642  N   LYS C  60     -18.641   7.304  17.045  1.00 14.40           N  
-ATOM   2643  CA  LYS C  60     -19.047   8.674  17.195  1.00 14.87           C  
-ATOM   2644  C   LYS C  60     -18.066   9.704  17.103  1.00 17.20           C  
-ATOM   2645  O   LYS C  60     -18.083  10.725  16.452  1.00 19.10           O  
-ATOM   2646  CB  LYS C  60     -20.090   8.722  18.417  1.00 20.14           C  
-ATOM   2647  CG  LYS C  60     -20.474  10.102  18.286  1.00 36.22           C  
-ATOM   2648  CD  LYS C  60     -21.736  10.498  19.120  1.00 67.45           C  
-ATOM   2649  CE  LYS C  60     -22.281  11.583  18.549  1.00 61.41           C  
-ATOM   2650  NZ  LYS C  60     -21.104  12.754  19.691  1.00 67.02           N  
-ATOM   2651  N   LYS C  61     -16.927   9.423  17.774  1.00 17.79           N  
-ATOM   2652  CA  LYS C  61     -15.858  10.357  17.767  1.00 21.13           C  
-ATOM   2653  C   LYS C  61     -15.164  10.595  16.162  1.00 16.24           C  
-ATOM   2654  O   LYS C  61     -14.881  11.695  15.808  1.00 15.80           O  
-ATOM   2655  CB  LYS C  61     -14.696   9.830  18.603  1.00 23.05           C  
-ATOM   2656  CG  LYS C  61     -15.062  10.074  19.860  1.00 29.48           C  
-ATOM   2657  CD  LYS C  61     -14.168   9.693  20.841  1.00 35.76           C  
-ATOM   2658  CE  LYS C  61     -14.859  10.184  22.437  1.00 58.26           C  
-ATOM   2659  NZ  LYS C  61     -13.290   9.055  22.853  1.00 59.87           N  
-ATOM   2660  N   VAL C  62     -15.053   9.278  15.522  1.00 15.31           N  
-ATOM   2661  CA  VAL C  62     -14.623   9.355  14.153  1.00 17.56           C  
-ATOM   2662  C   VAL C  62     -15.371  10.194  13.113  1.00 16.25           C  
-ATOM   2663  O   VAL C  62     -15.014  11.087  12.455  1.00 13.61           O  
-ATOM   2664  CB  VAL C  62     -14.380   7.809  13.720  1.00 18.84           C  
-ATOM   2665  CG1 VAL C  62     -14.183   7.763  12.290  1.00 17.19           C  
-ATOM   2666  CG2 VAL C  62     -13.252   7.305  14.521  1.00 18.33           C  
-ATOM   2667  N   ALA C  63     -16.701   9.866  13.495  1.00 13.67           N  
-ATOM   2668  CA  ALA C  63     -17.818  10.501  12.645  1.00 21.56           C  
-ATOM   2669  C   ALA C  63     -17.715  11.855  12.728  1.00 19.04           C  
-ATOM   2670  O   ALA C  63     -17.832  12.775  11.974  1.00 17.01           O  
-ATOM   2671  CB  ALA C  63     -19.206   9.890  12.827  1.00 17.02           C  
-ATOM   2672  N   ASP C  64     -17.653  12.417  13.991  1.00 16.51           N  
-ATOM   2673  CA  ASP C  64     -17.709  13.830  14.243  1.00 19.49           C  
-ATOM   2674  C   ASP C  64     -16.540  14.535  13.748  1.00 14.91           C  
-ATOM   2675  O   ASP C  64     -16.584  15.604  13.224  1.00 19.95           O  
-ATOM   2676  CB  ASP C  64     -17.991  14.096  15.799  1.00 24.76           C  
-ATOM   2677  CG  ASP C  64     -19.393  13.818  16.643  1.00 34.25           C  
-ATOM   2678  OD1 ASP C  64     -20.152  13.414  15.899  1.00 28.85           O  
-ATOM   2679  OD2 ASP C  64     -19.056  13.688  17.650  1.00 27.13           O  
-ATOM   2680  N   ALA C  65     -15.369  13.857  13.860  1.00 16.65           N  
-ATOM   2681  CA  ALA C  65     -14.163  14.481  13.291  1.00 16.32           C  
-ATOM   2682  C   ALA C  65     -14.252  14.735  11.694  1.00 13.95           C  
-ATOM   2683  O   ALA C  65     -13.994  15.689  11.048  1.00 16.33           O  
-ATOM   2684  CB  ALA C  65     -13.017  13.593  13.359  1.00 16.15           C  
-ATOM   2685  N   LEU C  66     -15.064  13.712  10.969  1.00 17.13           N  
-ATOM   2686  CA  LEU C  66     -15.337  13.726   9.525  1.00 13.55           C  
-ATOM   2687  C   LEU C  66     -16.272  14.810   9.233  1.00 14.32           C  
-ATOM   2688  O   LEU C  66     -16.159  15.647   8.296  1.00 15.99           O  
-ATOM   2689  CB  LEU C  66     -15.780  12.400   8.970  1.00 12.37           C  
-ATOM   2690  CG  LEU C  66     -14.557  11.353   8.900  1.00 14.22           C  
-ATOM   2691  CD1 LEU C  66     -15.162  10.177   8.798  1.00 25.53           C  
-ATOM   2692  CD2 LEU C  66     -13.636  11.641   7.894  1.00 14.43           C  
-ATOM   2693  N   THR C  67     -17.292  14.977  10.145  1.00 14.80           N  
-ATOM   2694  CA  THR C  67     -18.300  16.119   9.983  1.00 15.27           C  
-ATOM   2695  C   THR C  67     -17.479  17.374  10.100  1.00 19.15           C  
-ATOM   2696  O   THR C  67     -17.741  18.262   9.274  1.00 21.53           O  
-ATOM   2697  CB  THR C  67     -19.282  15.886  11.189  1.00 13.22           C  
-ATOM   2698  OG1 THR C  67     -20.066  14.785  10.961  1.00 17.30           O  
-ATOM   2699  CG2 THR C  67     -20.207  17.226  11.132  1.00 30.44           C  
-ATOM   2700  N   ASN C  68     -16.541  17.536  11.125  1.00 19.52           N  
-ATOM   2701  CA  ASN C  68     -15.765  18.613  11.088  1.00 21.49           C  
-ATOM   2702  C   ASN C  68     -14.901  18.833   9.858  1.00 19.25           C  
-ATOM   2703  O   ASN C  68     -14.653  20.197   9.353  1.00 22.73           O  
-ATOM   2704  CB  ASN C  68     -14.964  18.621  12.362  1.00 16.47           C  
-ATOM   2705  CG  ASN C  68     -13.974  19.880  12.584  1.00 43.34           C  
-ATOM   2706  OD1 ASN C  68     -14.128  20.746  12.326  1.00 49.22           O  
-ATOM   2707  ND2 ASN C  68     -12.524  19.654  13.058  1.00 50.67           N  
-ATOM   2708  N   ALA C  69     -14.378  17.793   9.402  1.00 16.22           N  
-ATOM   2709  CA  ALA C  69     -13.526  17.929   8.006  1.00 15.27           C  
-ATOM   2710  C   ALA C  69     -14.531  18.551   6.897  1.00 20.32           C  
-ATOM   2711  O   ALA C  69     -13.858  19.250   6.103  1.00 22.38           O  
-ATOM   2712  CB  ALA C  69     -12.891  16.615   7.759  1.00 15.52           C  
-ATOM   2713  N   VAL C  70     -15.649  17.853   6.837  1.00 18.62           N  
-ATOM   2714  CA  VAL C  70     -16.708  18.432   5.673  1.00 21.72           C  
-ATOM   2715  C   VAL C  70     -16.947  20.121   6.025  1.00 33.94           C  
-ATOM   2716  O   VAL C  70     -16.795  20.608   4.872  1.00 26.93           O  
-ATOM   2717  CB  VAL C  70     -17.884  17.598   5.765  1.00 16.50           C  
-ATOM   2718  CG1 VAL C  70     -18.759  18.120   4.709  1.00 19.06           C  
-ATOM   2719  CG2 VAL C  70     -17.623  16.139   5.358  1.00 16.14           C  
-ATOM   2720  N   ALA C  71     -17.135  20.362   6.965  1.00 27.30           N  
-ATOM   2721  CA  ALA C  71     -17.392  21.922   7.494  1.00 22.92           C  
-ATOM   2722  C   ALA C  71     -16.435  22.534   6.896  1.00 25.79           C  
-ATOM   2723  O   ALA C  71     -16.374  23.836   6.718  1.00 24.88           O  
-ATOM   2724  CB  ALA C  71     -17.865  21.980   8.684  1.00 26.73           C  
-ATOM   2725  N   HIS C  72     -15.134  22.254   6.980  1.00 25.11           N  
-ATOM   2726  CA  HIS C  72     -13.948  22.613   6.662  1.00 31.54           C  
-ATOM   2727  C   HIS C  72     -13.174  22.493   5.762  1.00 23.73           C  
-ATOM   2728  O   HIS C  72     -11.739  22.306   5.638  1.00 26.60           O  
-ATOM   2729  CB  HIS C  72     -12.834  22.798   8.133  1.00 34.18           C  
-ATOM   2730  CG  HIS C  72     -13.458  23.235   9.080  1.00 46.84           C  
-ATOM   2731  ND1 HIS C  72     -13.546  24.937   9.646  1.00 41.84           N  
-ATOM   2732  CD2 HIS C  72     -14.636  22.949  10.155  1.00 36.64           C  
-ATOM   2733  CE1 HIS C  72     -14.088  24.896  10.559  1.00 46.81           C  
-ATOM   2734  NE2 HIS C  72     -14.920  23.926  11.193  1.00 49.65           N  
-ATOM   2735  N   VAL C  73     -13.783  21.917   4.647  1.00 19.28           N  
-ATOM   2736  CA  VAL C  73     -13.123  21.287   3.673  1.00 19.45           C  
-ATOM   2737  C   VAL C  73     -11.827  22.122   2.987  1.00 29.84           C  
-ATOM   2738  O   VAL C  73     -10.987  21.361   2.509  1.00 35.51           O  
-ATOM   2739  CB  VAL C  73     -14.122  20.427   2.448  1.00 30.11           C  
-ATOM   2740  CG1 VAL C  73     -14.780  21.629   2.180  1.00 33.72           C  
-ATOM   2741  CG2 VAL C  73     -13.307  19.397   1.916  1.00 28.74           C  
-ATOM   2742  N   ASP C  74     -12.046  23.454   3.145  1.00 28.51           N  
-ATOM   2743  CA  ASP C  74     -10.850  24.295   2.500  1.00 28.33           C  
-ATOM   2744  C   ASP C  74      -9.537  24.483   3.294  1.00 41.00           C  
-ATOM   2745  O   ASP C  74      -8.999  25.130   2.953  1.00 39.68           O  
-ATOM   2746  CB  ASP C  74     -11.641  25.551   2.038  1.00 34.16           C  
-ATOM   2747  CG  ASP C  74     -12.636  25.691   1.138  1.00 52.11           C  
-ATOM   2748  OD1 ASP C  74     -12.809  24.845  -0.109  1.00 41.95           O  
-ATOM   2749  OD2 ASP C  74     -13.725  26.027   1.050  1.00 57.27           O  
-ATOM   2750  N   ASP C  75      -9.900  24.071   4.497  1.00 29.36           N  
-ATOM   2751  CA  ASP C  75      -8.638  24.283   5.628  1.00 35.73           C  
-ATOM   2752  C   ASP C  75      -9.022  23.128   6.558  1.00 33.10           C  
-ATOM   2753  O   ASP C  75      -8.649  23.257   7.697  1.00 33.04           O  
-ATOM   2754  CB  ASP C  75      -9.160  25.604   6.376  1.00 60.97           C  
-ATOM   2755  CG  ASP C  75      -8.310  26.492   7.214  1.00 66.84           C  
-ATOM   2756  OD1 ASP C  75      -7.090  26.471   6.833  1.00 48.92           O  
-ATOM   2757  OD2 ASP C  75      -9.269  26.482   8.164  1.00 62.98           O  
-ATOM   2758  N   MET C  76      -8.644  21.799   5.775  1.00 27.58           N  
-ATOM   2759  CA  MET C  76      -8.452  20.656   6.738  1.00 27.89           C  
-ATOM   2760  C   MET C  76      -7.374  20.534   7.506  1.00 27.58           C  
-ATOM   2761  O   MET C  76      -7.529  20.166   8.646  1.00 20.50           O  
-ATOM   2762  CB  MET C  76      -8.792  19.438   5.724  1.00 26.12           C  
-ATOM   2763  CG  MET C  76     -10.257  19.383   5.400  1.00 43.36           C  
-ATOM   2764  SD  MET C  76     -10.271  17.473   4.652  1.00 37.03           S  
-ATOM   2765  CE  MET C  76      -9.415  17.721   3.291  1.00 44.39           C  
-ATOM   2766  N   PRO C  77      -6.212  20.856   6.950  1.00 20.45           N  
-ATOM   2767  CA  PRO C  77      -5.120  20.876   8.013  1.00 25.45           C  
-ATOM   2768  C   PRO C  77      -5.008  21.386   9.255  1.00 36.43           C  
-ATOM   2769  O   PRO C  77      -4.686  20.931  10.357  1.00 30.57           O  
-ATOM   2770  CB  PRO C  77      -3.910  21.274   7.011  1.00 26.13           C  
-ATOM   2771  CG  PRO C  77      -4.232  21.298   5.608  1.00 24.41           C  
-ATOM   2772  CD  PRO C  77      -5.794  21.507   5.765  1.00 18.39           C  
-ATOM   2773  N   ASN C  78      -5.556  22.597   9.438  1.00 27.78           N  
-ATOM   2774  CA  ASN C  78      -6.067  23.245  10.604  1.00 53.47           C  
-ATOM   2775  C   ASN C  78      -6.714  22.831  11.450  1.00 25.06           C  
-ATOM   2776  O   ASN C  78      -6.836  22.551  12.629  1.00 27.11           O  
-ATOM   2777  CB  ASN C  78      -5.848  24.913  10.378  1.00 49.62           C  
-ATOM   2778  CG  ASN C  78      -5.937  25.817  11.891  1.00 27.09           C  
-ATOM   2779  OD1 ASN C  78      -5.094  25.489  12.673  1.00 25.78           O  
-ATOM   2780  ND2 ASN C  78      -7.164  26.163  12.327  1.00 30.98           N  
-ATOM   2781  N   ALA C  79      -8.038  22.510  10.822  1.00 21.32           N  
-ATOM   2782  CA  ALA C  79      -9.063  21.943  11.591  1.00 21.47           C  
-ATOM   2783  C   ALA C  79      -8.803  20.510  12.317  1.00 24.81           C  
-ATOM   2784  O   ALA C  79      -9.440  20.242  13.323  1.00 25.13           O  
-ATOM   2785  CB  ALA C  79     -10.333  21.459  10.764  1.00 25.42           C  
-ATOM   2786  N   LEU C  80      -8.034  19.757  11.542  1.00 14.71           N  
-ATOM   2787  CA  LEU C  80      -7.693  18.364  12.080  1.00 14.80           C  
-ATOM   2788  C   LEU C  80      -6.147  18.320  12.632  1.00 13.69           C  
-ATOM   2789  O   LEU C  80      -5.765  17.251  13.012  1.00 17.02           O  
-ATOM   2790  CB  LEU C  80      -7.618  17.425  10.975  1.00 23.31           C  
-ATOM   2791  CG  LEU C  80      -9.017  17.241  10.096  1.00 28.90           C  
-ATOM   2792  CD1 LEU C  80      -8.888  16.179   9.066  1.00 22.59           C  
-ATOM   2793  CD2 LEU C  80      -9.912  16.862  11.126  1.00 28.24           C  
-ATOM   2794  N   SER C  81      -5.642  19.595  13.022  1.00 15.20           N  
-ATOM   2795  CA  SER C  81      -4.176  19.598  13.532  1.00 16.69           C  
-ATOM   2796  C   SER C  81      -4.082  18.751  14.821  1.00 15.66           C  
-ATOM   2797  O   SER C  81      -3.121  18.036  14.913  1.00 18.30           O  
-ATOM   2798  CB  SER C  81      -4.200  21.212  13.927  1.00 20.04           C  
-ATOM   2799  OG  SER C  81      -2.662  21.194  13.956  1.00 27.86           O  
-ATOM   2800  N   ALA C  82      -4.975  18.951  15.740  1.00 16.14           N  
-ATOM   2801  CA  ALA C  82      -4.666  18.152  16.940  1.00 27.63           C  
-ATOM   2802  C   ALA C  82      -4.666  16.766  16.844  1.00 26.48           C  
-ATOM   2803  O   ALA C  82      -4.201  15.804  17.443  1.00 22.53           O  
-ATOM   2804  CB  ALA C  82      -5.631  18.625  18.033  1.00 26.01           C  
-ATOM   2805  N   LEU C  83      -5.794  16.171  15.738  1.00 16.69           N  
-ATOM   2806  CA  LEU C  83      -5.833  14.767  15.713  1.00 11.24           C  
-ATOM   2807  C   LEU C  83      -4.721  14.342  14.699  1.00 14.18           C  
-ATOM   2808  O   LEU C  83      -4.218  13.107  15.018  1.00 18.82           O  
-ATOM   2809  CB  LEU C  83      -7.049  14.621  14.641  1.00 19.57           C  
-ATOM   2810  CG  LEU C  83      -8.323  14.343  15.598  1.00 31.08           C  
-ATOM   2811  CD1 LEU C  83      -9.453  13.945  14.510  1.00 37.56           C  
-ATOM   2812  CD2 LEU C  83      -8.174  13.408  16.783  1.00 31.25           C  
-ATOM   2813  N   SER C  84      -4.154  15.133  13.918  1.00 17.80           N  
-ATOM   2814  CA  SER C  84      -2.888  14.776  13.267  1.00 16.31           C  
-ATOM   2815  C   SER C  84      -1.740  14.590  14.181  1.00 16.72           C  
-ATOM   2816  O   SER C  84      -0.882  13.728  14.196  1.00 20.08           O  
-ATOM   2817  CB  SER C  84      -1.928  15.701  12.069  1.00 25.74           C  
-ATOM   2818  OG  SER C  84      -2.988  16.059  11.690  1.00 36.74           O  
-ATOM   2819  N   ASP C  85      -1.671  15.596  15.245  1.00 14.56           N  
-ATOM   2820  CA  ASP C  85      -0.682  15.299  16.354  1.00 16.51           C  
-ATOM   2821  C   ASP C  85      -0.794  14.103  17.109  1.00 12.46           C  
-ATOM   2822  O   ASP C  85       0.064  13.405  17.411  1.00 15.88           O  
-ATOM   2823  CB  ASP C  85      -0.758  16.459  17.195  1.00 24.70           C  
-ATOM   2824  CG  ASP C  85      -0.167  17.721  16.629  1.00 34.11           C  
-ATOM   2825  OD1 ASP C  85       0.446  17.900  15.796  1.00 25.15           O  
-ATOM   2826  OD2 ASP C  85      -0.625  18.754  17.406  1.00 33.76           O  
-ATOM   2827  N   LEU C  86      -2.190  13.771  17.337  1.00 12.70           N  
-ATOM   2828  CA  LEU C  86      -2.467  12.693  18.111  1.00 16.53           C  
-ATOM   2829  C   LEU C  86      -2.015  11.303  17.695  1.00 14.13           C  
-ATOM   2830  O   LEU C  86      -1.425  10.432  18.116  1.00 17.79           O  
-ATOM   2831  CB  LEU C  86      -3.980  12.638  18.447  1.00 18.93           C  
-ATOM   2832  CG  LEU C  86      -4.506  11.657  19.521  1.00 29.36           C  
-ATOM   2833  CD1 LEU C  86      -3.802  11.791  20.879  1.00 25.18           C  
-ATOM   2834  CD2 LEU C  86      -5.938  11.585  19.602  1.00 37.62           C  
-ATOM   2835  N   HIS C  87      -2.350  11.290  16.308  1.00 15.64           N  
-ATOM   2836  CA  HIS C  87      -2.196   9.988  15.684  1.00 15.27           C  
-ATOM   2837  C   HIS C  87      -0.432   9.776  15.294  1.00 11.96           C  
-ATOM   2838  O   HIS C  87      -0.010   8.655  15.509  1.00 15.54           O  
-ATOM   2839  CB  HIS C  87      -2.877   9.761  14.248  1.00 15.31           C  
-ATOM   2840  CG  HIS C  87      -4.370   9.569  14.496  1.00 12.16           C  
-ATOM   2841  ND1 HIS C  87      -5.204  10.514  14.931  1.00 15.96           N  
-ATOM   2842  CD2 HIS C  87      -5.162   8.339  14.571  1.00 14.58           C  
-ATOM   2843  CE1 HIS C  87      -6.508   9.921  15.132  1.00 13.46           C  
-ATOM   2844  NE2 HIS C  87      -6.403   8.796  14.850  1.00 17.27           N  
-ATOM   2845  N   ALA C  88       0.106  11.030  15.024  1.00 14.25           N  
-ATOM   2846  CA  ALA C  88       1.440  11.027  14.747  1.00 15.37           C  
-ATOM   2847  C   ALA C  88       2.402  10.439  15.994  1.00 19.72           C  
-ATOM   2848  O   ALA C  88       3.419   9.888  15.742  1.00 18.60           O  
-ATOM   2849  CB  ALA C  88       2.009  12.263  14.095  1.00 17.41           C  
-ATOM   2850  N   HIS C  89       2.139  11.270  17.065  1.00 17.52           N  
-ATOM   2851  CA  HIS C  89       2.856  11.246  18.393  1.00 20.01           C  
-ATOM   2852  C   HIS C  89       2.445  10.295  19.376  1.00 19.52           C  
-ATOM   2853  O   HIS C  89       3.400   9.856  20.127  1.00 22.69           O  
-ATOM   2854  CB  HIS C  89       3.204  12.750  18.766  1.00 26.82           C  
-ATOM   2855  CG  HIS C  89       3.898  13.462  17.550  1.00 23.76           C  
-ATOM   2856  ND1 HIS C  89       5.028  13.110  16.879  1.00 28.14           N  
-ATOM   2857  CD2 HIS C  89       3.344  14.574  17.213  1.00 25.55           C  
-ATOM   2858  CE1 HIS C  89       4.845  14.030  16.064  1.00 32.36           C  
-ATOM   2859  NE2 HIS C  89       4.173  15.010  16.064  1.00 29.26           N  
-ATOM   2860  N   LYS C  90       1.340   9.800  19.443  1.00 16.72           N  
-ATOM   2861  CA  LYS C  90       0.718   9.223  20.440  1.00 20.32           C  
-ATOM   2862  C   LYS C  90       0.299   7.707  20.002  1.00 20.91           C  
-ATOM   2863  O   LYS C  90       0.862   6.631  20.320  1.00 23.22           O  
-ATOM   2864  CB  LYS C  90      -0.138   9.844  21.447  1.00 20.81           C  
-ATOM   2865  CG  LYS C  90      -0.560   8.580  22.285  1.00 29.14           C  
-ATOM   2866  CD  LYS C  90      -1.751   9.734  23.205  1.00 67.74           C  
-ATOM   2867  CE  LYS C  90      -1.793   8.441  24.607  1.00 66.29           C  
-ATOM   2868  NZ  LYS C  90      -1.676  10.047  25.898  1.00 56.99           N  
-ATOM   2869  N   LEU C  91      -0.852   7.689  19.140  1.00 13.37           N  
-ATOM   2870  CA  LEU C  91      -1.388   6.384  18.683  1.00 10.47           C  
-ATOM   2871  C   LEU C  91      -0.395   5.670  17.757  1.00 15.87           C  
-ATOM   2872  O   LEU C  91      -0.337   4.504  17.810  1.00 17.45           O  
-ATOM   2873  CB  LEU C  91      -2.734   6.916  18.060  1.00 11.80           C  
-ATOM   2874  CG  LEU C  91      -3.503   7.677  18.936  1.00 14.59           C  
-ATOM   2875  CD1 LEU C  91      -4.817   8.063  18.135  1.00 18.31           C  
-ATOM   2876  CD2 LEU C  91      -3.927   6.656  20.006  1.00 19.42           C  
-ATOM   2877  N   ARG C  92       0.163   6.386  16.757  1.00 17.30           N  
-ATOM   2878  CA  ARG C  92       1.225   5.888  15.973  1.00 16.69           C  
-ATOM   2879  C   ARG C  92       0.801   4.590  15.144  1.00 18.80           C  
-ATOM   2880  O   ARG C  92       1.289   3.690  14.985  1.00 19.26           O  
-ATOM   2881  CB  ARG C  92       2.462   5.556  16.835  1.00 13.64           C  
-ATOM   2882  CG  ARG C  92       3.207   6.871  17.042  1.00 14.42           C  
-ATOM   2883  CD  ARG C  92       4.320   6.680  18.089  1.00 27.16           C  
-ATOM   2884  NE  ARG C  92       4.955   7.507  17.826  1.00 44.94           N  
-ATOM   2885  CZ  ARG C  92       5.808   6.749  20.563  1.00 38.22           C  
-ATOM   2886  NH1 ARG C  92       4.053   6.376  21.084  1.00 33.94           N  
-ATOM   2887  NH2 ARG C  92       6.026   7.349  19.817  1.00 48.21           N  
-ATOM   2888  N   VAL C  93      -0.511   4.844  14.546  1.00 13.36           N  
-ATOM   2889  CA  VAL C  93      -1.122   3.790  13.672  1.00 14.31           C  
-ATOM   2890  C   VAL C  93      -0.425   3.861  12.310  1.00 12.63           C  
-ATOM   2891  O   VAL C  93      -0.266   4.875  11.618  1.00 14.78           O  
-ATOM   2892  CB  VAL C  93      -2.622   4.322  13.422  1.00  8.72           C  
-ATOM   2893  CG1 VAL C  93      -3.298   3.413  12.409  1.00 14.83           C  
-ATOM   2894  CG2 VAL C  93      -3.256   4.402  14.761  1.00 15.34           C  
-ATOM   2895  N   ASP C  94      -0.069   2.672  11.865  1.00 14.84           N  
-ATOM   2896  CA  ASP C  94       0.516   2.634  10.645  1.00 17.19           C  
-ATOM   2897  C   ASP C  94      -0.337   3.187   9.492  1.00 13.94           C  
-ATOM   2898  O   ASP C  94      -1.496   2.844   9.436  1.00 13.55           O  
-ATOM   2899  CB  ASP C  94       1.001   1.175  10.166  1.00 19.19           C  
-ATOM   2900  CG  ASP C  94       2.066   1.114   9.015  1.00 25.98           C  
-ATOM   2901  OD1 ASP C  94       3.132   1.101   9.167  1.00 23.44           O  
-ATOM   2902  OD2 ASP C  94       1.457   1.246   7.818  1.00 20.10           O  
-ATOM   2903  N   PRO C  95       0.336   3.997   8.656  1.00 13.43           N  
-ATOM   2904  CA  PRO C  95      -0.533   4.680   7.482  1.00 16.10           C  
-ATOM   2905  C   PRO C  95      -1.120   3.788   6.667  1.00 11.12           C  
-ATOM   2906  O   PRO C  95      -2.331   4.229   6.243  1.00 14.55           O  
-ATOM   2907  CB  PRO C  95       0.512   5.399   6.750  1.00 19.09           C  
-ATOM   2908  CG  PRO C  95       1.437   5.610   7.677  1.00 18.28           C  
-ATOM   2909  CD  PRO C  95       1.704   4.489   8.616  1.00 15.64           C  
-ATOM   2910  N   VAL C  96      -0.975   2.426   6.418  1.00 15.60           N  
-ATOM   2911  CA  VAL C  96      -1.688   1.553   5.597  1.00 13.24           C  
-ATOM   2912  C   VAL C  96      -3.093   1.373   6.108  1.00 11.50           C  
-ATOM   2913  O   VAL C  96      -4.125   1.168   5.337  1.00 13.19           O  
-ATOM   2914  CB  VAL C  96      -0.963   0.166   5.595  1.00 20.64           C  
-ATOM   2915  CG1 VAL C  96       0.380   0.545   5.130  1.00 37.75           C  
-ATOM   2916  CG2 VAL C  96      -0.986  -0.723   6.614  1.00 28.85           C  
-ATOM   2917  N   ASN C  97      -3.362   1.525   7.446  1.00  9.54           N  
-ATOM   2918  CA  ASN C  97      -4.626   1.297   7.971  1.00 11.68           C  
-ATOM   2919  C   ASN C  97      -5.641   2.261   7.562  1.00  9.63           C  
-ATOM   2920  O   ASN C  97      -6.898   1.950   7.745  1.00  9.95           O  
-ATOM   2921  CB  ASN C  97      -4.431   1.174   9.336  1.00 13.42           C  
-ATOM   2922  CG  ASN C  97      -3.599  -0.084   9.836  1.00 14.06           C  
-ATOM   2923  OD1 ASN C  97      -3.997  -1.327   9.652  1.00  8.45           O  
-ATOM   2924  ND2 ASN C  97      -2.374   0.157  10.197  1.00 18.92           N  
-ATOM   2925  N   PHE C  98      -5.236   3.438   7.306  1.00 11.20           N  
-ATOM   2926  CA  PHE C  98      -6.082   4.528   6.931  1.00 10.00           C  
-ATOM   2927  C   PHE C  98      -6.998   4.116   5.628  1.00 12.29           C  
-ATOM   2928  O   PHE C  98      -8.203   4.405   5.580  1.00 11.85           O  
-ATOM   2929  CB  PHE C  98      -5.520   5.917   6.784  1.00 11.84           C  
-ATOM   2930  CG  PHE C  98      -4.966   6.392   8.161  1.00 10.85           C  
-ATOM   2931  CD1 PHE C  98      -5.796   7.234   8.908  1.00 20.50           C  
-ATOM   2932  CD2 PHE C  98      -3.900   5.913   8.688  1.00 15.66           C  
-ATOM   2933  CE1 PHE C  98      -5.555   7.714  10.141  1.00 25.62           C  
-ATOM   2934  CE2 PHE C  98      -3.735   6.528  10.021  1.00 23.17           C  
-ATOM   2935  CZ  PHE C  98      -4.378   7.442  10.790  1.00 16.17           C  
-ATOM   2936  N   LYS C  99      -6.268   3.417   4.783  1.00 12.40           N  
-ATOM   2937  CA  LYS C  99      -6.999   2.958   3.593  1.00 16.89           C  
-ATOM   2938  C   LYS C  99      -8.208   2.150   3.790  1.00 16.36           C  
-ATOM   2939  O   LYS C  99      -9.081   1.954   3.131  1.00 12.00           O  
-ATOM   2940  CB  LYS C  99      -5.965   2.519   2.404  1.00 37.75           C  
-ATOM   2941  CG  LYS C  99      -5.634   1.867   2.299  1.00 60.42           C  
-ATOM   2942  CD  LYS C  99      -4.523   1.328   0.960  1.00 80.12           C  
-ATOM   2943  CE  LYS C  99      -5.145  -0.811   1.345  1.00 54.41           C  
-ATOM   2944  NZ  LYS C  99      -4.072  -1.896   0.975  1.00 73.17           N  
-ATOM   2945  N   LEU C 100      -7.771   1.248   4.812  1.00 11.58           N  
-ATOM   2946  CA  LEU C 100      -8.668   0.083   5.298  1.00 10.08           C  
-ATOM   2947  C   LEU C 100      -9.923   0.739   5.824  1.00 15.81           C  
-ATOM   2948  O   LEU C 100     -11.033   0.328   5.495  1.00 12.64           O  
-ATOM   2949  CB  LEU C 100      -7.919  -0.962   6.095  1.00 11.52           C  
-ATOM   2950  CG  LEU C 100      -6.700  -1.456   5.659  1.00 12.29           C  
-ATOM   2951  CD1 LEU C 100      -6.140  -2.487   6.602  1.00 13.43           C  
-ATOM   2952  CD2 LEU C 100      -6.937  -2.037   4.366  1.00 20.82           C  
-ATOM   2953  N   LEU C 101      -9.764   1.698   6.763  1.00  9.97           N  
-ATOM   2954  CA  LEU C 101     -10.983   2.177   7.355  1.00 11.48           C  
-ATOM   2955  C   LEU C 101     -11.756   3.062   6.216  1.00 15.63           C  
-ATOM   2956  O   LEU C 101     -12.976   2.978   6.299  1.00 14.14           O  
-ATOM   2957  CB  LEU C 101     -10.599   3.208   8.498  1.00 14.89           C  
-ATOM   2958  CG  LEU C 101     -11.670   3.902   9.072  1.00 22.22           C  
-ATOM   2959  CD1 LEU C 101     -12.818   2.883   9.487  1.00 22.49           C  
-ATOM   2960  CD2 LEU C 101     -11.241   4.642  10.285  1.00 23.89           C  
-ATOM   2961  N   SER C 102     -11.033   3.737   5.313  1.00 13.80           N  
-ATOM   2962  CA  SER C 102     -11.714   4.605   4.376  1.00  7.27           C  
-ATOM   2963  C   SER C 102     -12.532   3.565   3.508  1.00  8.13           C  
-ATOM   2964  O   SER C 102     -13.716   4.048   3.196  1.00 14.48           O  
-ATOM   2965  CB  SER C 102     -10.627   5.223   3.513  1.00 12.53           C  
-ATOM   2966  OG  SER C 102      -9.908   6.246   4.205  1.00 16.99           O  
-ATOM   2967  N   HIS C 103     -12.013   2.448   3.076  1.00  9.47           N  
-ATOM   2968  CA  HIS C 103     -12.856   1.553   2.231  1.00  7.87           C  
-ATOM   2969  C   HIS C 103     -13.969   1.179   3.005  1.00  9.96           C  
-ATOM   2970  O   HIS C 103     -15.145   1.064   2.463  1.00 11.06           O  
-ATOM   2971  CB  HIS C 103     -12.045   0.334   2.007  1.00 13.28           C  
-ATOM   2972  CG  HIS C 103     -12.687  -0.723   1.251  1.00 12.69           C  
-ATOM   2973  ND1 HIS C 103     -12.940  -2.084   2.021  1.00 13.59           N  
-ATOM   2974  CD2 HIS C 103     -13.286  -0.768   0.111  1.00 11.80           C  
-ATOM   2975  CE1 HIS C 103     -13.607  -2.702   0.895  1.00 18.03           C  
-ATOM   2976  NE2 HIS C 103     -13.846  -2.052  -0.281  1.00 12.75           N  
-ATOM   2977  N   CYS C 104     -13.956   0.809   4.281  1.00 11.32           N  
-ATOM   2978  CA  CYS C 104     -15.102   0.402   5.220  1.00 10.36           C  
-ATOM   2979  C   CYS C 104     -16.128   1.576   5.312  1.00 10.40           C  
-ATOM   2980  O   CYS C 104     -17.326   1.230   5.408  1.00 13.45           O  
-ATOM   2981  CB  CYS C 104     -14.679  -0.210   6.511  1.00 10.60           C  
-ATOM   2982  SG  CYS C 104     -13.758  -1.766   6.256  1.00 14.84           S  
-ATOM   2983  N   LEU C 105     -15.610   2.759   5.400  1.00  7.19           N  
-ATOM   2984  CA  LEU C 105     -16.550   3.718   5.401  1.00  7.94           C  
-ATOM   2985  C   LEU C 105     -17.308   3.811   4.064  1.00 12.20           C  
-ATOM   2986  O   LEU C 105     -18.557   4.127   4.121  1.00 10.34           O  
-ATOM   2987  CB  LEU C 105     -15.878   5.040   5.656  1.00 21.49           C  
-ATOM   2988  CG  LEU C 105     -16.527   6.202   6.207  1.00 44.61           C  
-ATOM   2989  CD1 LEU C 105     -16.548   5.934   7.976  1.00 29.90           C  
-ATOM   2990  CD2 LEU C 105     -14.638   7.055   6.645  1.00 67.41           C  
-ATOM   2991  N   LEU C 106     -16.563   3.801   3.055  1.00 12.01           N  
-ATOM   2992  CA  LEU C 106     -17.399   3.653   1.720  1.00 11.59           C  
-ATOM   2993  C   LEU C 106     -18.331   2.701   1.716  1.00 13.18           C  
-ATOM   2994  O   LEU C 106     -19.445   3.007   1.174  1.00 13.67           O  
-ATOM   2995  CB  LEU C 106     -16.393   3.784   0.463  1.00 15.01           C  
-ATOM   2996  CG  LEU C 106     -15.665   4.920   0.043  1.00 26.98           C  
-ATOM   2997  CD1 LEU C 106     -14.786   4.477  -0.938  1.00 27.15           C  
-ATOM   2998  CD2 LEU C 106     -16.427   6.222  -0.197  1.00 28.82           C  
-ATOM   2999  N   VAL C 107     -18.135   1.497   2.015  1.00  9.69           N  
-ATOM   3000  CA  VAL C 107     -18.836   0.268   2.127  1.00 13.59           C  
-ATOM   3001  C   VAL C 107     -20.197   0.605   2.883  1.00 17.84           C  
-ATOM   3002  O   VAL C 107     -21.451   0.519   2.577  1.00 16.17           O  
-ATOM   3003  CB  VAL C 107     -18.247  -1.024   2.534  1.00  6.66           C  
-ATOM   3004  CG1 VAL C 107     -19.313  -1.975   2.757  1.00 10.41           C  
-ATOM   3005  CG2 VAL C 107     -17.243  -1.377   1.493  1.00  9.95           C  
-ATOM   3006  N   THR C 108     -20.022   1.317   4.069  1.00 12.50           N  
-ATOM   3007  CA  THR C 108     -21.156   1.586   4.961  1.00 12.00           C  
-ATOM   3008  C   THR C 108     -22.004   2.672   4.235  1.00  8.53           C  
-ATOM   3009  O   THR C 108     -23.266   2.600   4.430  1.00 13.95           O  
-ATOM   3010  CB  THR C 108     -20.489   2.175   6.313  1.00 10.15           C  
-ATOM   3011  OG1 THR C 108     -19.618   1.211   6.782  1.00 10.65           O  
-ATOM   3012  CG2 THR C 108     -21.574   2.581   7.303  1.00  9.30           C  
-ATOM   3013  N   LEU C 109     -21.432   3.696   3.675  1.00  9.01           N  
-ATOM   3014  CA  LEU C 109     -22.256   4.765   2.941  1.00  9.31           C  
-ATOM   3015  C   LEU C 109     -23.120   4.001   2.078  1.00 15.85           C  
-ATOM   3016  O   LEU C 109     -24.157   4.405   1.752  1.00 14.26           O  
-ATOM   3017  CB  LEU C 109     -21.296   5.848   2.566  1.00 11.02           C  
-ATOM   3018  CG  LEU C 109     -20.716   6.843   3.619  1.00 19.91           C  
-ATOM   3019  CD1 LEU C 109     -19.558   7.677   2.954  1.00 29.96           C  
-ATOM   3020  CD2 LEU C 109     -21.630   7.225   4.484  1.00 27.29           C  
-ATOM   3021  N   ALA C 110     -22.355   3.185   1.097  1.00 14.51           N  
-ATOM   3022  CA  ALA C 110     -22.975   2.438  -0.100  1.00 13.69           C  
-ATOM   3023  C   ALA C 110     -24.179   1.916   0.467  1.00 24.66           C  
-ATOM   3024  O   ALA C 110     -25.339   1.691  -0.205  1.00 18.31           O  
-ATOM   3025  CB  ALA C 110     -21.958   1.541  -0.721  1.00 13.14           C  
-ATOM   3026  N   ALA C 111     -24.108   1.069   1.636  1.00 17.30           N  
-ATOM   3027  CA  ALA C 111     -25.131   0.205   2.227  1.00 14.98           C  
-ATOM   3028  C   ALA C 111     -26.406   1.141   2.649  1.00 17.59           C  
-ATOM   3029  O   ALA C 111     -27.374   0.392   2.964  1.00 18.70           O  
-ATOM   3030  CB  ALA C 111     -24.528  -0.603   3.334  1.00 14.01           C  
-ATOM   3031  N   HIS C 112     -26.145   2.311   3.092  1.00 17.57           N  
-ATOM   3032  CA  HIS C 112     -27.157   3.218   3.684  1.00 17.81           C  
-ATOM   3033  C   HIS C 112     -27.592   4.143   2.662  1.00 23.35           C  
-ATOM   3034  O   HIS C 112     -28.643   4.846   3.027  1.00 25.70           O  
-ATOM   3035  CB  HIS C 112     -26.632   3.907   4.985  1.00 19.09           C  
-ATOM   3036  CG  HIS C 112     -26.731   2.953   5.878  1.00 25.33           C  
-ATOM   3037  ND1 HIS C 112     -25.315   2.095   6.535  1.00 35.05           N  
-ATOM   3038  CD2 HIS C 112     -27.507   2.446   6.914  1.00 26.57           C  
-ATOM   3039  CE1 HIS C 112     -25.696   1.397   7.484  1.00 18.65           C  
-ATOM   3040  NE2 HIS C 112     -27.041   1.550   7.786  1.00 32.92           N  
-ATOM   3041  N   LEU C 113     -27.112   4.669   1.736  1.00 23.20           N  
-ATOM   3042  CA  LEU C 113     -27.336   5.646   0.694  1.00 19.73           C  
-ATOM   3043  C   LEU C 113     -27.527   4.917  -0.780  1.00 24.44           C  
-ATOM   3044  O   LEU C 113     -26.931   5.709  -1.436  1.00 27.49           O  
-ATOM   3045  CB  LEU C 113     -26.346   6.534   0.722  1.00 30.36           C  
-ATOM   3046  CG  LEU C 113     -26.291   7.305   1.871  1.00 29.78           C  
-ATOM   3047  CD1 LEU C 113     -24.949   8.197   1.187  1.00 35.69           C  
-ATOM   3048  CD2 LEU C 113     -27.165   7.743   2.593  1.00 47.79           C  
-ATOM   3049  N   PRO C 114     -28.533   4.269  -1.071  1.00 23.63           N  
-ATOM   3050  CA  PRO C 114     -28.972   3.222  -2.364  1.00 26.62           C  
-ATOM   3051  C   PRO C 114     -29.185   4.694  -3.555  1.00 35.32           C  
-ATOM   3052  O   PRO C 114     -28.033   5.030  -4.238  1.00 38.93           O  
-ATOM   3053  CB  PRO C 114     -29.692   2.344  -1.692  1.00 32.82           C  
-ATOM   3054  CG  PRO C 114     -30.705   3.466  -1.031  1.00 48.45           C  
-ATOM   3055  CD  PRO C 114     -29.572   3.964   0.093  1.00 44.41           C  
-ATOM   3056  N   ALA C 115     -29.614   5.816  -3.110  1.00 34.13           N  
-ATOM   3057  CA  ALA C 115     -29.733   6.788  -3.943  1.00 25.13           C  
-ATOM   3058  C   ALA C 115     -28.814   7.547  -4.176  1.00 23.70           C  
-ATOM   3059  O   ALA C 115     -28.484   8.189  -5.293  1.00 28.59           O  
-ATOM   3060  CB  ALA C 115     -31.178   7.688  -4.040  1.00 49.66           C  
-ATOM   3061  N   GLU C 116     -27.955   7.979  -3.256  1.00 19.87           N  
-ATOM   3062  CA  GLU C 116     -26.996   9.192  -3.337  1.00 15.46           C  
-ATOM   3063  C   GLU C 116     -25.546   8.615  -3.591  1.00 17.63           C  
-ATOM   3064  O   GLU C 116     -24.903   9.456  -4.305  1.00 21.65           O  
-ATOM   3065  CB  GLU C 116     -26.603   9.453  -1.769  1.00 24.21           C  
-ATOM   3066  CG  GLU C 116     -28.465   8.862  -0.493  1.00 64.07           C  
-ATOM   3067  CD  GLU C 116     -28.940  10.160  -0.964  1.00 64.09           C  
-ATOM   3068  OE1 GLU C 116     -28.783  10.922  -1.780  1.00 59.54           O  
-ATOM   3069  OE2 GLU C 116     -30.228   9.634  -0.550  1.00 58.51           O  
-ATOM   3070  N   PHE C 117     -25.343   7.424  -3.452  1.00 18.06           N  
-ATOM   3071  CA  PHE C 117     -24.055   6.750  -3.919  1.00 15.96           C  
-ATOM   3072  C   PHE C 117     -23.837   6.451  -5.366  1.00 17.62           C  
-ATOM   3073  O   PHE C 117     -23.697   5.333  -5.682  1.00 20.40           O  
-ATOM   3074  CB  PHE C 117     -23.795   5.597  -3.019  1.00 11.69           C  
-ATOM   3075  CG  PHE C 117     -22.482   5.073  -2.755  1.00 15.94           C  
-ATOM   3076  CD1 PHE C 117     -21.516   5.939  -2.024  1.00 20.23           C  
-ATOM   3077  CD2 PHE C 117     -21.879   3.939  -3.352  1.00 18.29           C  
-ATOM   3078  CE1 PHE C 117     -20.010   5.429  -1.856  1.00 21.74           C  
-ATOM   3079  CE2 PHE C 117     -20.499   3.543  -3.388  1.00 15.69           C  
-ATOM   3080  CZ  PHE C 117     -19.734   4.357  -2.542  1.00 19.08           C  
-ATOM   3081  N   THR C 118     -23.888   7.554  -6.187  1.00 16.36           N  
-ATOM   3082  CA  THR C 118     -23.750   7.200  -7.579  1.00 24.73           C  
-ATOM   3083  C   THR C 118     -22.162   7.085  -7.979  1.00 20.24           C  
-ATOM   3084  O   THR C 118     -21.404   7.258  -6.938  1.00 17.57           O  
-ATOM   3085  CB  THR C 118     -23.989   8.809  -8.229  1.00 24.50           C  
-ATOM   3086  OG1 THR C 118     -25.423   9.053  -8.024  1.00 43.24           O  
-ATOM   3087  CG2 THR C 118     -23.399   9.727  -8.021  1.00 20.86           C  
-ATOM   3088  N   PRO C 119     -21.965   6.771  -8.980  1.00 16.01           N  
-ATOM   3089  CA  PRO C 119     -20.523   6.700  -9.434  1.00 19.05           C  
-ATOM   3090  C   PRO C 119     -19.780   7.932  -9.012  1.00 19.72           C  
-ATOM   3091  O   PRO C 119     -18.600   7.893  -8.606  1.00 14.74           O  
-ATOM   3092  CB  PRO C 119     -20.464   6.235 -10.815  1.00 21.12           C  
-ATOM   3093  CG  PRO C 119     -21.872   5.425 -11.078  1.00 19.58           C  
-ATOM   3094  CD  PRO C 119     -22.940   6.131 -10.122  1.00 19.86           C  
-ATOM   3095  N   ALA C 120     -20.252   9.094  -9.502  1.00 19.86           N  
-ATOM   3096  CA  ALA C 120     -19.548  10.276  -9.334  1.00 18.74           C  
-ATOM   3097  C   ALA C 120     -19.388  10.637  -7.832  1.00 10.87           C  
-ATOM   3098  O   ALA C 120     -18.248  11.251  -7.450  1.00 14.38           O  
-ATOM   3099  CB  ALA C 120     -20.260  11.491  -9.979  1.00 23.51           C  
-ATOM   3100  N   VAL C 121     -20.385  10.350  -7.040  1.00 15.38           N  
-ATOM   3101  CA  VAL C 121     -20.425  10.526  -5.562  1.00 17.86           C  
-ATOM   3102  C   VAL C 121     -19.282   9.640  -4.960  1.00 13.56           C  
-ATOM   3103  O   VAL C 121     -18.551  10.181  -4.182  1.00 14.98           O  
-ATOM   3104  CB  VAL C 121     -21.712  10.598  -4.961  1.00 16.82           C  
-ATOM   3105  CG1 VAL C 121     -21.586  10.574  -3.474  1.00 15.23           C  
-ATOM   3106  CG2 VAL C 121     -22.399  11.837  -5.508  1.00 18.21           C  
-ATOM   3107  N   HIS C 122     -19.274   8.429  -5.423  1.00 13.62           N  
-ATOM   3108  CA  HIS C 122     -18.258   7.352  -4.974  1.00 13.41           C  
-ATOM   3109  C   HIS C 122     -16.927   7.953  -5.183  1.00 19.70           C  
-ATOM   3110  O   HIS C 122     -16.069   7.929  -4.270  1.00 15.94           O  
-ATOM   3111  CB  HIS C 122     -18.661   6.175  -5.608  1.00 13.44           C  
-ATOM   3112  CG  HIS C 122     -17.896   4.996  -5.506  1.00 11.42           C  
-ATOM   3113  ND1 HIS C 122     -18.152   3.694  -5.975  1.00 16.43           N  
-ATOM   3114  CD2 HIS C 122     -16.677   4.952  -4.678  1.00 17.04           C  
-ATOM   3115  CE1 HIS C 122     -17.175   2.906  -5.621  1.00 20.17           C  
-ATOM   3116  NE2 HIS C 122     -16.333   3.490  -4.734  1.00 16.87           N  
-ATOM   3117  N   ALA C 123     -16.663   8.527  -6.359  1.00 13.94           N  
-ATOM   3118  CA  ALA C 123     -15.263   8.979  -6.644  1.00 17.63           C  
-ATOM   3119  C   ALA C 123     -14.878  10.124  -5.801  1.00 15.63           C  
-ATOM   3120  O   ALA C 123     -13.855  10.169  -5.195  1.00 16.32           O  
-ATOM   3121  CB  ALA C 123     -15.304   9.355  -8.200  1.00 21.15           C  
-ATOM   3122  N   SER C 124     -15.845  11.044  -5.588  1.00 11.75           N  
-ATOM   3123  CA  SER C 124     -15.443  12.245  -4.719  1.00 15.01           C  
-ATOM   3124  C   SER C 124     -15.332  11.744  -3.177  1.00 15.67           C  
-ATOM   3125  O   SER C 124     -14.471  12.374  -2.655  1.00 13.45           O  
-ATOM   3126  CB  SER C 124     -16.754  13.206  -4.754  1.00 14.78           C  
-ATOM   3127  OG  SER C 124     -17.033  13.770  -6.107  1.00 17.64           O  
-ATOM   3128  N   LEU C 125     -16.158  10.923  -2.823  1.00 10.43           N  
-ATOM   3129  CA  LEU C 125     -15.983  10.431  -1.427  1.00 12.66           C  
-ATOM   3130  C   LEU C 125     -14.705   9.708  -1.135  1.00 12.01           C  
-ATOM   3131  O   LEU C 125     -13.873   9.973  -0.196  1.00 10.58           O  
-ATOM   3132  CB  LEU C 125     -17.093   9.515  -1.060  1.00 10.32           C  
-ATOM   3133  CG  LEU C 125     -18.393  10.264  -0.600  1.00 16.01           C  
-ATOM   3134  CD1 LEU C 125     -19.493   9.231  -0.642  1.00 21.31           C  
-ATOM   3135  CD2 LEU C 125     -18.244  11.194   0.645  1.00 19.17           C  
-ATOM   3136  N   ASP C 126     -14.179   8.973  -2.132  1.00 15.23           N  
-ATOM   3137  CA  ASP C 126     -12.896   8.220  -2.060  1.00 15.01           C  
-ATOM   3138  C   ASP C 126     -11.877   9.262  -2.029  1.00 17.34           C  
-ATOM   3139  O   ASP C 126     -10.873   9.161  -1.311  1.00 17.16           O  
-ATOM   3140  CB  ASP C 126     -12.829   7.258  -3.164  1.00 14.23           C  
-ATOM   3141  CG  ASP C 126     -11.630   6.072  -2.962  1.00 15.33           C  
-ATOM   3142  OD1 ASP C 126     -11.594   5.816  -1.849  1.00 21.18           O  
-ATOM   3143  OD2 ASP C 126     -10.723   6.195  -3.670  1.00 18.49           O  
-ATOM   3144  N   LYS C 127     -11.889  10.369  -2.865  1.00 10.51           N  
-ATOM   3145  CA  LYS C 127     -10.843  11.346  -2.937  1.00  9.26           C  
-ATOM   3146  C   LYS C 127     -10.985  12.090  -1.550  1.00 10.60           C  
-ATOM   3147  O   LYS C 127      -9.736  12.501  -1.011  1.00 13.38           O  
-ATOM   3148  CB  LYS C 127     -11.128  12.473  -4.012  1.00 12.57           C  
-ATOM   3149  CG  LYS C 127     -10.837  11.844  -5.259  1.00 21.03           C  
-ATOM   3150  CD  LYS C 127     -11.084  12.905  -6.433  1.00 27.03           C  
-ATOM   3151  CE  LYS C 127     -10.200  14.180  -6.287  1.00 36.89           C  
-ATOM   3152  NZ  LYS C 127     -10.401  15.128  -7.495  1.00 25.75           N  
-ATOM   3153  N   PHE C 128     -12.089  12.351  -1.096  1.00 12.44           N  
-ATOM   3154  CA  PHE C 128     -12.150  13.112   0.060  1.00 14.73           C  
-ATOM   3155  C   PHE C 128     -11.573  12.159   1.379  1.00 19.70           C  
-ATOM   3156  O   PHE C 128     -10.742  12.890   2.141  1.00 15.58           O  
-ATOM   3157  CB  PHE C 128     -13.559  13.504   0.502  1.00 11.17           C  
-ATOM   3158  CG  PHE C 128     -13.873  13.981   2.080  1.00 11.86           C  
-ATOM   3159  CD1 PHE C 128     -13.416  15.303   2.300  1.00 15.77           C  
-ATOM   3160  CD2 PHE C 128     -14.468  13.060   2.611  1.00 23.89           C  
-ATOM   3161  CE1 PHE C 128     -13.803  15.496   3.630  1.00 14.00           C  
-ATOM   3162  CE2 PHE C 128     -14.618  13.544   4.103  1.00 26.48           C  
-ATOM   3163  CZ  PHE C 128     -14.347  14.715   4.443  1.00 15.47           C  
-ATOM   3164  N   LEU C 129     -11.958  10.929   1.410  1.00 14.00           N  
-ATOM   3165  CA  LEU C 129     -11.373  10.116   2.580  1.00 13.04           C  
-ATOM   3166  C   LEU C 129      -9.834   9.957   2.377  1.00 17.30           C  
-ATOM   3167  O   LEU C 129      -8.955  10.001   3.360  1.00 14.75           O  
-ATOM   3168  CB  LEU C 129     -11.850   8.796   2.608  1.00 12.12           C  
-ATOM   3169  CG  LEU C 129     -13.240   8.898   3.000  1.00 20.92           C  
-ATOM   3170  CD1 LEU C 129     -14.044   7.674   2.880  1.00 26.64           C  
-ATOM   3171  CD2 LEU C 129     -13.522   9.300   4.355  1.00 35.02           C  
-ATOM   3172  N   ALA C 130      -9.238   9.941   1.192  1.00 16.20           N  
-ATOM   3173  CA  ALA C 130      -7.860  10.006   0.893  1.00 14.56           C  
-ATOM   3174  C   ALA C 130      -7.216  11.214   1.438  1.00 19.27           C  
-ATOM   3175  O   ALA C 130      -5.982  11.322   1.999  1.00 14.14           O  
-ATOM   3176  CB  ALA C 130      -7.442   9.870  -0.423  1.00 17.10           C  
-ATOM   3177  N   SER C 131      -7.839  12.284   1.109  1.00 18.74           N  
-ATOM   3178  CA  SER C 131      -7.158  13.685   1.577  1.00 19.45           C  
-ATOM   3179  C   SER C 131      -7.424  13.831   3.307  1.00 14.53           C  
-ATOM   3180  O   SER C 131      -6.317  14.261   3.681  1.00 12.58           O  
-ATOM   3181  CB  SER C 131      -8.220  14.954   1.086  1.00 22.90           C  
-ATOM   3182  OG  SER C 131      -8.002  14.782  -0.395  1.00 37.64           O  
-ATOM   3183  N   VAL C 132      -8.436  13.257   3.800  1.00 12.03           N  
-ATOM   3184  CA  VAL C 132      -8.508  13.199   5.238  1.00 13.41           C  
-ATOM   3185  C   VAL C 132      -7.272  12.425   5.809  1.00 19.42           C  
-ATOM   3186  O   VAL C 132      -6.491  12.809   6.794  1.00 14.00           O  
-ATOM   3187  CB  VAL C 132      -9.726  12.697   5.713  1.00 15.91           C  
-ATOM   3188  CG1 VAL C 132      -9.619  12.379   7.255  1.00 17.14           C  
-ATOM   3189  CG2 VAL C 132     -11.022  13.817   5.553  1.00 19.41           C  
-ATOM   3190  N   SER C 133      -7.133  11.157   5.180  1.00 14.01           N  
-ATOM   3191  CA  SER C 133      -6.066  10.266   5.421  1.00 13.12           C  
-ATOM   3192  C   SER C 133      -4.733  10.965   5.281  1.00 21.83           C  
-ATOM   3193  O   SER C 133      -3.772  10.686   6.325  1.00 18.12           O  
-ATOM   3194  CB  SER C 133      -5.938   8.996   4.603  1.00 13.61           C  
-ATOM   3195  OG  SER C 133      -7.161   8.346   5.111  1.00 18.98           O  
-ATOM   3196  N   THR C 134      -4.427  11.617   4.350  1.00 17.53           N  
-ATOM   3197  CA  THR C 134      -3.144  12.409   4.136  1.00 15.95           C  
-ATOM   3198  C   THR C 134      -2.914  13.473   5.177  1.00 16.97           C  
-ATOM   3199  O   THR C 134      -1.750  13.477   5.831  1.00 20.39           O  
-ATOM   3200  CB  THR C 134      -3.269  13.086   2.683  1.00 18.28           C  
-ATOM   3201  OG1 THR C 134      -3.148  12.134   1.784  1.00 22.72           O  
-ATOM   3202  CG2 THR C 134      -2.059  13.978   2.401  1.00 22.70           C  
-ATOM   3203  N   VAL C 135      -3.965  14.094   5.504  1.00 15.13           N  
-ATOM   3204  CA  VAL C 135      -3.754  15.191   6.579  1.00 16.51           C  
-ATOM   3205  C   VAL C 135      -3.260  14.323   7.873  1.00 16.40           C  
-ATOM   3206  O   VAL C 135      -2.487  14.902   8.617  1.00 15.94           O  
-ATOM   3207  CB  VAL C 135      -5.059  16.100   6.780  1.00 18.21           C  
-ATOM   3208  CG1 VAL C 135      -5.021  16.981   8.022  1.00 17.40           C  
-ATOM   3209  CG2 VAL C 135      -5.230  16.888   5.569  1.00 19.71           C  
-ATOM   3210  N   LEU C 136      -4.222  13.312   8.307  1.00 12.10           N  
-ATOM   3211  CA  LEU C 136      -4.023  12.675   9.630  1.00 15.98           C  
-ATOM   3212  C   LEU C 136      -2.564  12.099   9.666  1.00 16.04           C  
-ATOM   3213  O   LEU C 136      -2.112  11.725  10.867  1.00 16.42           O  
-ATOM   3214  CB  LEU C 136      -5.060  11.690   9.725  1.00 16.86           C  
-ATOM   3215  CG  LEU C 136      -6.464  12.340   9.949  1.00 24.99           C  
-ATOM   3216  CD1 LEU C 136      -7.273  11.133  10.442  1.00 18.69           C  
-ATOM   3217  CD2 LEU C 136      -6.479  13.221  11.104  1.00 43.05           C  
-ATOM   3218  N   THR C 137      -1.948  11.875   8.493  1.00 14.30           N  
-ATOM   3219  CA  THR C 137      -0.644  11.078   8.570  1.00 16.72           C  
-ATOM   3220  C   THR C 137       0.600  12.250   8.229  1.00 20.27           C  
-ATOM   3221  O   THR C 137       1.641  11.779   8.219  1.00 19.99           O  
-ATOM   3222  CB  THR C 137      -0.616   9.898   7.452  1.00 21.82           C  
-ATOM   3223  OG1 THR C 137      -0.747  10.397   6.348  1.00 20.00           O  
-ATOM   3224  CG2 THR C 137      -1.429   8.802   8.131  1.00 20.00           C  
-ATOM   3225  N   SER C 138       0.217  13.432   7.965  1.00 21.45           N  
-ATOM   3226  CA  SER C 138       1.195  14.450   7.576  1.00 24.00           C  
-ATOM   3227  C   SER C 138       2.427  14.664   8.641  1.00 26.98           C  
-ATOM   3228  O   SER C 138       3.195  15.345   8.032  1.00 21.99           O  
-ATOM   3229  CB  SER C 138       0.001  16.139   8.122  1.00 21.69           C  
-ATOM   3230  OG  SER C 138       0.377  15.823   6.927  1.00 42.20           O  
-ATOM   3231  N   LYS C 139       2.133  14.403   9.912  1.00 22.73           N  
-ATOM   3232  CA  LYS C 139       3.191  14.934  10.883  1.00 27.59           C  
-ATOM   3233  C   LYS C 139       3.975  13.581  11.372  1.00 19.22           C  
-ATOM   3234  O   LYS C 139       4.646  13.643  12.389  1.00 14.35           O  
-ATOM   3235  CB  LYS C 139       2.358  15.487  11.974  1.00 19.55           C  
-ATOM   3236  CG  LYS C 139       2.071  17.001  11.340  1.00 22.79           C  
-ATOM   3237  CD  LYS C 139       1.307  17.445  12.283  1.00 42.21           C  
-ATOM   3238  CE  LYS C 139       1.086  19.324  11.798  1.00 36.26           C  
-ATOM   3239  NZ  LYS C 139      -0.244  18.940  13.010  1.00 30.87           N  
-ATOM   3240  N   TYR C 140       3.750  12.465  10.738  1.00 18.17           N  
-ATOM   3241  CA  TYR C 140       4.409  11.291  11.242  1.00 17.49           C  
-ATOM   3242  C   TYR C 140       5.879  11.300  11.241  1.00 19.10           C  
-ATOM   3243  O   TYR C 140       6.366  10.507  12.197  1.00 22.35           O  
-ATOM   3244  CB  TYR C 140       3.865  10.055  10.357  1.00 16.87           C  
-ATOM   3245  CG  TYR C 140       2.674   9.300  10.891  1.00 12.61           C  
-ATOM   3246  CD1 TYR C 140       2.521   8.093  11.003  1.00 19.13           C  
-ATOM   3247  CD2 TYR C 140       1.410  10.025  11.225  1.00 16.63           C  
-ATOM   3248  CE1 TYR C 140       1.365   7.496  11.459  1.00 21.26           C  
-ATOM   3249  CE2 TYR C 140       0.269   9.420  11.748  1.00 17.45           C  
-ATOM   3250  CZ  TYR C 140       0.153   8.203  11.775  1.00 14.84           C  
-ATOM   3251  OH  TYR C 140      -0.838   7.429  12.277  1.00 15.53           O  
-ATOM   3252  N   ARG C 141       6.450  11.994  10.246  1.00 20.34           N  
-ATOM   3253  CA  ARG C 141       7.886  11.986  10.168  1.00 25.59           C  
-ATOM   3254  C   ARG C 141       8.484  13.451   9.626  1.00 21.46           C  
-ATOM   3255  O   ARG C 141       7.587  13.891   9.012  1.00 24.60           O  
-ATOM   3256  CB  ARG C 141       8.511  10.698   9.627  1.00 27.67           C  
-ATOM   3257  CG  ARG C 141       8.124  10.586   8.132  1.00 20.44           C  
-ATOM   3258  CD  ARG C 141       8.972   9.192   7.851  1.00 27.35           C  
-ATOM   3259  NE  ARG C 141       8.521   8.970   6.409  1.00 21.57           N  
-ATOM   3260  CZ  ARG C 141       9.349   8.234   5.557  1.00 17.72           C  
-ATOM   3261  NH1 ARG C 141      10.182   7.400   5.980  1.00 16.11           N  
-ATOM   3262  NH2 ARG C 141       8.583   8.168   4.338  1.00 19.55           N  
-ATOM   3263  OXT ARG C 141       9.695  13.488   9.645  1.00 22.97           O  
-TER    3264      ARG C 141                                                      
-ATOM   3265  N   VAL D   1      -8.916 -20.986  -1.208  1.00 44.53           N  
-ATOM   3266  CA  VAL D   1      -8.728 -19.973   0.230  1.00 40.54           C  
-ATOM   3267  C   VAL D   1      -9.597 -21.119   1.649  1.00 54.57           C  
-ATOM   3268  O   VAL D   1     -10.511 -21.747   0.927  1.00 46.03           O  
-ATOM   3269  CB  VAL D   1      -9.741 -18.620   0.365  1.00 59.62           C  
-ATOM   3270  CG1 VAL D   1      -8.976 -17.356  -0.533  1.00 56.25           C  
-ATOM   3271  CG2 VAL D   1     -10.766 -18.689  -0.199  1.00 44.49           C  
-ATOM   3272  N   HIS D   2      -9.359 -20.204   2.359  1.00 54.55           N  
-ATOM   3273  CA  HIS D   2     -10.028 -20.478   3.617  1.00 76.16           C  
-ATOM   3274  C   HIS D   2     -11.503 -19.997   4.189  1.00 40.79           C  
-ATOM   3275  O   HIS D   2     -10.949 -18.900   5.117  1.00 42.23           O  
-ATOM   3276  CB  HIS D   2      -8.550 -21.746   4.671  1.00 61.25           C  
-ATOM   3277  CG  HIS D   2      -9.111 -22.384   5.289  1.00 73.35           C  
-ATOM   3278  ND1 HIS D   2      -9.292 -20.744   7.139  1.00 63.32           N  
-ATOM   3279  CD2 HIS D   2     -10.298 -23.586   6.052  1.00 68.03           C  
-ATOM   3280  CE1 HIS D   2     -10.663 -21.227   8.362  1.00 55.48           C  
-ATOM   3281  NE2 HIS D   2     -10.906 -22.743   7.235  1.00 54.14           N  
-ATOM   3282  N   LEU D   3     -12.538 -20.903   4.013  1.00 31.51           N  
-ATOM   3283  CA  LEU D   3     -13.638 -20.047   4.223  1.00 32.74           C  
-ATOM   3284  C   LEU D   3     -13.624 -20.741   5.723  1.00 43.55           C  
-ATOM   3285  O   LEU D   3     -14.592 -22.168   5.344  1.00 38.09           O  
-ATOM   3286  CB  LEU D   3     -14.958 -19.886   3.451  1.00 39.97           C  
-ATOM   3287  CG  LEU D   3     -14.306 -18.748   2.457  1.00 33.25           C  
-ATOM   3288  CD1 LEU D   3     -15.545 -18.399   1.653  1.00 35.36           C  
-ATOM   3289  CD2 LEU D   3     -14.311 -17.477   2.906  1.00 43.98           C  
-ATOM   3290  N   THR D   4     -14.873 -20.575   6.573  1.00 40.52           N  
-ATOM   3291  CA  THR D   4     -15.571 -21.118   7.446  1.00 35.01           C  
-ATOM   3292  C   THR D   4     -16.965 -21.835   7.057  1.00 36.50           C  
-ATOM   3293  O   THR D   4     -17.217 -21.032   5.924  1.00 26.93           O  
-ATOM   3294  CB  THR D   4     -15.866 -20.187   8.979  1.00 42.32           C  
-ATOM   3295  OG1 THR D   4     -16.874 -19.360   8.569  1.00 35.61           O  
-ATOM   3296  CG2 THR D   4     -14.805 -19.826   9.491  1.00 41.74           C  
-ATOM   3297  N   PRO D   5     -17.421 -22.638   7.348  1.00 38.01           N  
-ATOM   3298  CA  PRO D   5     -18.819 -22.801   6.165  1.00 45.26           C  
-ATOM   3299  C   PRO D   5     -19.967 -21.905   6.477  1.00 40.88           C  
-ATOM   3300  O   PRO D   5     -20.833 -21.591   5.783  1.00 35.71           O  
-ATOM   3301  CB  PRO D   5     -19.489 -24.074   7.971  1.00 80.12           C  
-ATOM   3302  CG  PRO D   5     -18.622 -24.429   8.450  1.00 36.53           C  
-ATOM   3303  CD  PRO D   5     -17.099 -23.867   8.283  1.00 38.83           C  
-ATOM   3304  N   GLU D   6     -19.807 -20.993   7.524  1.00 38.95           N  
-ATOM   3305  CA  GLU D   6     -20.826 -20.251   7.892  1.00 54.36           C  
-ATOM   3306  C   GLU D   6     -20.257 -18.491   6.516  1.00 29.53           C  
-ATOM   3307  O   GLU D   6     -21.186 -18.231   6.189  1.00 34.33           O  
-ATOM   3308  CB  GLU D   6     -20.808 -19.128   9.200  1.00 67.37           C  
-ATOM   3309  CG  GLU D   6     -20.143 -19.295   9.841  1.00 68.32           C  
-ATOM   3310  CD  GLU D   6     -19.833 -20.908  10.929  1.00 80.07           C  
-ATOM   3311  OE1 GLU D   6     -19.263 -21.552  10.554  1.00 62.33           O  
-ATOM   3312  OE2 GLU D   6     -17.422 -20.947   9.979  1.00 75.27           O  
-ATOM   3313  N   GLU D   7     -19.046 -18.647   6.494  1.00 32.30           N  
-ATOM   3314  CA  GLU D   7     -18.571 -17.615   5.450  1.00 26.92           C  
-ATOM   3315  C   GLU D   7     -19.016 -18.399   3.955  1.00 36.61           C  
-ATOM   3316  O   GLU D   7     -19.572 -17.530   3.297  1.00 31.61           O  
-ATOM   3317  CB  GLU D   7     -17.035 -17.606   5.380  1.00 22.74           C  
-ATOM   3318  CG  GLU D   7     -16.644 -16.558   6.886  1.00 25.68           C  
-ATOM   3319  CD  GLU D   7     -15.325 -16.832   6.956  1.00 21.07           C  
-ATOM   3320  OE1 GLU D   7     -14.977 -15.445   7.269  1.00 41.17           O  
-ATOM   3321  OE2 GLU D   7     -14.302 -17.526   6.337  1.00 26.19           O  
-ATOM   3322  N   LYS D   8     -18.754 -19.547   3.890  1.00 24.35           N  
-ATOM   3323  CA  LYS D   8     -19.098 -20.158   2.364  1.00 27.18           C  
-ATOM   3324  C   LYS D   8     -20.384 -20.203   2.052  1.00 23.43           C  
-ATOM   3325  O   LYS D   8     -21.074 -19.662   1.178  1.00 23.08           O  
-ATOM   3326  CB  LYS D   8     -18.527 -21.857   2.829  1.00 28.41           C  
-ATOM   3327  CG  LYS D   8     -18.698 -21.991   1.053  1.00 48.31           C  
-ATOM   3328  CD  LYS D   8     -18.147 -23.072   0.880  1.00 69.34           C  
-ATOM   3329  CE  LYS D   8     -18.957 -23.705  -0.872  1.00 38.29           C  
-ATOM   3330  NZ  LYS D   8     -17.931 -25.269  -1.374  1.00 72.55           N  
-ATOM   3331  N   SER D   9     -21.307 -20.301   3.110  1.00 21.45           N  
-ATOM   3332  CA  SER D   9     -22.632 -20.010   2.800  1.00 23.49           C  
-ATOM   3333  C   SER D   9     -23.050 -18.608   2.651  1.00 32.73           C  
-ATOM   3334  O   SER D   9     -24.111 -18.558   1.973  1.00 27.24           O  
-ATOM   3335  CB  SER D   9     -23.425 -20.879   3.815  1.00 48.80           C  
-ATOM   3336  OG  SER D   9     -24.248 -20.636   4.597  1.00 54.12           O  
-ATOM   3337  N   ALA D  10     -22.340 -17.847   3.521  1.00 26.97           N  
-ATOM   3338  CA  ALA D  10     -23.067 -16.421   3.397  1.00 27.01           C  
-ATOM   3339  C   ALA D  10     -22.551 -15.974   1.781  1.00 23.29           C  
-ATOM   3340  O   ALA D  10     -23.475 -15.280   1.185  1.00 20.87           O  
-ATOM   3341  CB  ALA D  10     -22.056 -15.660   3.934  1.00 28.42           C  
-ATOM   3342  N   VAL D  11     -21.472 -16.449   1.276  1.00 31.33           N  
-ATOM   3343  CA  VAL D  11     -21.016 -15.993  -0.163  1.00 25.10           C  
-ATOM   3344  C   VAL D  11     -21.923 -16.557  -1.184  1.00 18.64           C  
-ATOM   3345  O   VAL D  11     -22.347 -15.774  -1.949  1.00 19.73           O  
-ATOM   3346  CB  VAL D  11     -19.580 -16.599  -0.312  1.00 18.52           C  
-ATOM   3347  CG1 VAL D  11     -19.332 -16.430  -1.555  1.00 28.45           C  
-ATOM   3348  CG2 VAL D  11     -18.563 -15.544   0.540  1.00 21.05           C  
-ATOM   3349  N   THR D  12     -22.095 -17.881  -0.865  1.00 19.99           N  
-ATOM   3350  CA  THR D  12     -23.012 -18.659  -2.043  1.00 26.25           C  
-ATOM   3351  C   THR D  12     -24.298 -18.196  -1.973  1.00 24.29           C  
-ATOM   3352  O   THR D  12     -25.087 -17.804  -3.054  1.00 26.52           O  
-ATOM   3353  CB  THR D  12     -23.024 -20.432  -1.285  1.00 24.72           C  
-ATOM   3354  OG1 THR D  12     -21.642 -20.629  -1.920  1.00 32.38           O  
-ATOM   3355  CG2 THR D  12     -24.127 -20.769  -2.067  1.00 56.05           C  
-ATOM   3356  N   ALA D  13     -24.939 -17.863  -0.966  1.00 25.46           N  
-ATOM   3357  CA  ALA D  13     -26.249 -17.368  -0.697  1.00 25.21           C  
-ATOM   3358  C   ALA D  13     -26.716 -16.016  -1.505  1.00 24.39           C  
-ATOM   3359  O   ALA D  13     -27.502 -15.783  -2.239  1.00 27.12           O  
-ATOM   3360  CB  ALA D  13     -26.840 -17.284   0.237  1.00 40.91           C  
-ATOM   3361  N   LEU D  14     -25.588 -15.038  -1.202  1.00 21.51           N  
-ATOM   3362  CA  LEU D  14     -25.805 -13.895  -1.844  1.00 19.28           C  
-ATOM   3363  C   LEU D  14     -25.557 -13.900  -3.355  1.00 20.58           C  
-ATOM   3364  O   LEU D  14     -26.325 -13.141  -4.012  1.00 19.87           O  
-ATOM   3365  CB  LEU D  14     -24.748 -12.802  -1.037  1.00 18.39           C  
-ATOM   3366  CG  LEU D  14     -24.944 -11.344  -1.539  1.00 32.12           C  
-ATOM   3367  CD1 LEU D  14     -25.966 -10.962  -0.374  1.00 41.26           C  
-ATOM   3368  CD2 LEU D  14     -23.927 -10.587  -1.223  1.00 34.27           C  
-ATOM   3369  N   TRP D  15     -24.663 -14.787  -3.692  1.00 16.79           N  
-ATOM   3370  CA  TRP D  15     -24.253 -14.609  -5.178  1.00 13.47           C  
-ATOM   3371  C   TRP D  15     -25.414 -15.354  -5.958  1.00 22.23           C  
-ATOM   3372  O   TRP D  15     -25.691 -14.922  -7.051  1.00 22.75           O  
-ATOM   3373  CB  TRP D  15     -23.003 -15.504  -5.278  1.00 17.27           C  
-ATOM   3374  CG  TRP D  15     -22.390 -15.264  -6.607  1.00 18.39           C  
-ATOM   3375  CD1 TRP D  15     -22.417 -16.024  -7.714  1.00 29.85           C  
-ATOM   3376  CD2 TRP D  15     -21.683 -13.937  -6.966  1.00 19.14           C  
-ATOM   3377  NE1 TRP D  15     -21.775 -15.472  -8.770  1.00 25.67           N  
-ATOM   3378  CE2 TRP D  15     -21.205 -14.132  -8.458  1.00 18.90           C  
-ATOM   3379  CE3 TRP D  15     -21.251 -12.883  -6.227  1.00 24.35           C  
-ATOM   3380  CZ2 TRP D  15     -20.568 -13.098  -9.104  1.00 22.83           C  
-ATOM   3381  CZ3 TRP D  15     -20.364 -11.928  -6.894  1.00 24.62           C  
-ATOM   3382  CH2 TRP D  15     -20.127 -12.198  -8.397  1.00 30.44           C  
-ATOM   3383  N   GLY D  16     -26.279 -16.244  -5.358  1.00 23.06           N  
-ATOM   3384  CA  GLY D  16     -27.474 -16.657  -6.225  1.00 23.16           C  
-ATOM   3385  C   GLY D  16     -28.300 -15.570  -6.485  1.00 26.54           C  
-ATOM   3386  O   GLY D  16     -29.203 -15.791  -7.472  1.00 26.11           O  
-ATOM   3387  N   LYS D  17     -28.475 -14.360  -5.980  1.00 18.84           N  
-ATOM   3388  CA  LYS D  17     -29.272 -13.270  -5.974  1.00 24.96           C  
-ATOM   3389  C   LYS D  17     -29.000 -12.271  -6.961  1.00 22.00           C  
-ATOM   3390  O   LYS D  17     -29.037 -11.079  -7.508  1.00 24.63           O  
-ATOM   3391  CB  LYS D  17     -29.587 -12.449  -4.588  1.00 28.33           C  
-ATOM   3392  CG  LYS D  17     -30.108 -13.362  -3.795  1.00 27.71           C  
-ATOM   3393  CD  LYS D  17     -30.415 -12.422  -2.822  1.00 33.37           C  
-ATOM   3394  CE  LYS D  17     -30.390 -12.386  -1.399  1.00 43.68           C  
-ATOM   3395  NZ  LYS D  17     -31.873 -11.072  -1.369  1.00 36.22           N  
-ATOM   3396  N   VAL D  18     -27.474 -12.385  -7.448  1.00 33.39           N  
-ATOM   3397  CA  VAL D  18     -26.489 -11.309  -8.320  1.00 24.51           C  
-ATOM   3398  C   VAL D  18     -27.096 -11.570  -9.917  1.00 27.24           C  
-ATOM   3399  O   VAL D  18     -26.940 -12.785 -10.011  1.00 26.54           O  
-ATOM   3400  CB  VAL D  18     -25.245 -11.428  -8.185  1.00 31.98           C  
-ATOM   3401  CG1 VAL D  18     -24.320 -10.896  -8.917  1.00 31.25           C  
-ATOM   3402  CG2 VAL D  18     -24.647 -11.020  -6.542  1.00 22.12           C  
-ATOM   3403  N   ASN D  19     -27.428 -10.545 -10.401  1.00 25.81           N  
-ATOM   3404  CA  ASN D  19     -27.299 -10.403 -11.802  1.00 27.55           C  
-ATOM   3405  C   ASN D  19     -26.159 -10.452 -12.333  1.00 24.31           C  
-ATOM   3406  O   ASN D  19     -25.632  -9.111 -12.336  1.00 20.67           O  
-ATOM   3407  CB  ASN D  19     -28.399  -9.524 -12.285  1.00 40.49           C  
-ATOM   3408  CG  ASN D  19     -28.856 -10.175 -13.808  1.00 44.62           C  
-ATOM   3409  OD1 ASN D  19     -27.731  -9.601 -14.786  1.00 45.68           O  
-ATOM   3410  ND2 ASN D  19     -29.658  -8.823 -14.484  1.00 50.78           N  
-ATOM   3411  N   VAL D  20     -25.460 -11.215 -12.835  1.00 22.82           N  
-ATOM   3412  CA  VAL D  20     -23.926 -10.940 -13.321  1.00 40.38           C  
-ATOM   3413  C   VAL D  20     -23.628  -9.968 -13.933  1.00 37.93           C  
-ATOM   3414  O   VAL D  20     -22.741  -9.105 -14.256  1.00 32.18           O  
-ATOM   3415  CB  VAL D  20     -22.524 -12.140 -14.217  1.00 63.33           C  
-ATOM   3416  CG1 VAL D  20     -23.373 -13.095 -12.306  1.00 34.72           C  
-ATOM   3417  CG2 VAL D  20     -22.926 -12.781 -13.318  1.00 54.80           C  
-ATOM   3418  N   ASP D  21     -24.469  -9.996 -15.091  1.00 36.66           N  
-ATOM   3419  CA  ASP D  21     -24.588  -8.635 -15.872  1.00 54.12           C  
-ATOM   3420  C   ASP D  21     -24.717  -7.685 -15.749  1.00 46.84           C  
-ATOM   3421  O   ASP D  21     -23.610  -6.686 -15.937  1.00 32.53           O  
-ATOM   3422  CB  ASP D  21     -25.603  -8.934 -17.011  1.00 60.03           C  
-ATOM   3423  CG  ASP D  21     -25.523 -10.565 -17.717  1.00 75.30           C  
-ATOM   3424  OD1 ASP D  21     -24.242 -11.481 -17.893  1.00 51.52           O  
-ATOM   3425  OD2 ASP D  21     -25.948 -10.502 -18.826  1.00 64.70           O  
-ATOM   3426  N   GLU D  22     -25.623  -7.162 -14.906  1.00 27.09           N  
-ATOM   3427  CA  GLU D  22     -25.919  -5.886 -14.386  1.00 23.15           C  
-ATOM   3428  C   GLU D  22     -24.427  -5.530 -13.395  1.00 19.08           C  
-ATOM   3429  O   GLU D  22     -24.197  -4.407 -13.172  1.00 21.80           O  
-ATOM   3430  CB  GLU D  22     -27.280  -5.934 -13.774  1.00 35.52           C  
-ATOM   3431  CG  GLU D  22     -27.211  -5.635 -13.083  1.00 68.74           C  
-ATOM   3432  CD  GLU D  22     -28.960  -4.398 -12.033  1.00 80.12           C  
-ATOM   3433  OE1 GLU D  22     -29.624  -5.184 -11.024  1.00 61.13           O  
-ATOM   3434  OE2 GLU D  22     -29.463  -4.100 -13.136  1.00 73.88           O  
-ATOM   3435  N   VAL D  23     -24.426  -6.315 -12.392  1.00 20.94           N  
-ATOM   3436  CA  VAL D  23     -23.348  -6.099 -11.326  1.00 17.82           C  
-ATOM   3437  C   VAL D  23     -21.966  -6.004 -12.061  1.00 15.07           C  
-ATOM   3438  O   VAL D  23     -21.155  -5.154 -11.664  1.00 21.11           O  
-ATOM   3439  CB  VAL D  23     -23.341  -7.268 -10.216  1.00 18.64           C  
-ATOM   3440  CG1 VAL D  23     -22.169  -7.160  -9.566  1.00 21.45           C  
-ATOM   3441  CG2 VAL D  23     -24.676  -6.892  -9.537  1.00 21.02           C  
-ATOM   3442  N   GLY D  24     -21.629  -6.780 -12.936  1.00 12.96           N  
-ATOM   3443  CA  GLY D  24     -20.442  -6.846 -13.669  1.00 18.39           C  
-ATOM   3444  C   GLY D  24     -20.261  -5.559 -14.312  1.00 16.60           C  
-ATOM   3445  O   GLY D  24     -19.233  -4.768 -14.272  1.00 15.31           O  
-ATOM   3446  N   GLY D  25     -21.132  -4.866 -15.117  1.00 17.32           N  
-ATOM   3447  CA  GLY D  25     -21.127  -3.499 -15.792  1.00 16.45           C  
-ATOM   3448  C   GLY D  25     -21.008  -2.525 -14.804  1.00 12.17           C  
-ATOM   3449  O   GLY D  25     -20.114  -1.633 -15.055  1.00 21.20           O  
-ATOM   3450  N   GLU D  26     -21.690  -2.622 -13.683  1.00 15.97           N  
-ATOM   3451  CA  GLU D  26     -21.600  -1.628 -12.730  1.00 13.66           C  
-ATOM   3452  C   GLU D  26     -20.044  -1.546 -12.031  1.00 11.75           C  
-ATOM   3453  O   GLU D  26     -19.572  -0.450 -11.864  1.00 13.88           O  
-ATOM   3454  CB  GLU D  26     -22.662  -1.686 -11.514  1.00 18.62           C  
-ATOM   3455  CG  GLU D  26     -23.979   0.008 -11.890  1.00 39.81           C  
-ATOM   3456  CD  GLU D  26     -22.700  -0.395 -10.542  1.00 31.77           C  
-ATOM   3457  OE1 GLU D  26     -23.368   1.259 -10.392  1.00 34.99           O  
-ATOM   3458  OE2 GLU D  26     -24.210  -0.810  -9.865  1.00 54.79           O  
-ATOM   3459  N   ALA D  27     -19.673  -2.710 -11.707  1.00 12.60           N  
-ATOM   3460  CA  ALA D  27     -18.269  -2.901 -11.078  1.00 17.85           C  
-ATOM   3461  C   ALA D  27     -17.180  -2.341 -11.937  1.00 15.51           C  
-ATOM   3462  O   ALA D  27     -16.331  -1.489 -11.550  1.00 14.90           O  
-ATOM   3463  CB  ALA D  27     -18.048  -4.225 -10.534  1.00 15.58           C  
-ATOM   3464  N   LEU D  28     -17.183  -2.729 -13.203  1.00 16.04           N  
-ATOM   3465  CA  LEU D  28     -16.186  -2.309 -14.163  1.00 11.08           C  
-ATOM   3466  C   LEU D  28     -16.248  -0.897 -14.292  1.00 13.51           C  
-ATOM   3467  O   LEU D  28     -15.238  -0.124 -14.487  1.00 14.05           O  
-ATOM   3468  CB  LEU D  28     -16.275  -3.066 -15.497  1.00 12.20           C  
-ATOM   3469  CG  LEU D  28     -14.973  -2.764 -16.433  1.00 28.52           C  
-ATOM   3470  CD1 LEU D  28     -13.779  -3.087 -15.679  1.00 36.95           C  
-ATOM   3471  CD2 LEU D  28     -15.242  -3.401 -17.606  1.00 34.25           C  
-ATOM   3472  N   GLY D  29     -17.518  -0.283 -14.622  1.00 12.33           N  
-ATOM   3473  CA  GLY D  29     -17.751   1.088 -14.735  1.00 13.25           C  
-ATOM   3474  C   GLY D  29     -17.136   1.954 -13.603  1.00 12.50           C  
-ATOM   3475  O   GLY D  29     -16.531   3.012 -13.890  1.00 16.69           O  
-ATOM   3476  N   ARG D  30     -17.539   1.491 -12.441  1.00 15.15           N  
-ATOM   3477  CA  ARG D  30     -17.026   2.243 -11.337  1.00 17.77           C  
-ATOM   3478  C   ARG D  30     -15.527   2.171 -11.160  1.00 14.35           C  
-ATOM   3479  O   ARG D  30     -14.968   3.218 -10.798  1.00 14.59           O  
-ATOM   3480  CB  ARG D  30     -17.892   1.792 -10.040  1.00 15.53           C  
-ATOM   3481  CG  ARG D  30     -19.275   2.313  -9.820  1.00 16.65           C  
-ATOM   3482  CD  ARG D  30     -19.931   1.839  -8.709  1.00 28.01           C  
-ATOM   3483  NE  ARG D  30     -21.099   2.164  -8.522  1.00 23.10           N  
-ATOM   3484  CZ  ARG D  30     -21.731   3.109  -7.922  1.00 16.06           C  
-ATOM   3485  NH1 ARG D  30     -22.965   3.397  -7.723  1.00 17.46           N  
-ATOM   3486  NH2 ARG D  30     -21.050   3.807  -6.871  1.00 10.32           N  
-ATOM   3487  N   LEU D  31     -14.961   1.160 -11.442  1.00 15.53           N  
-ATOM   3488  CA  LEU D  31     -13.554   1.103 -11.546  1.00 14.63           C  
-ATOM   3489  C   LEU D  31     -12.894   2.305 -12.254  1.00 16.67           C  
-ATOM   3490  O   LEU D  31     -11.964   2.890 -11.986  1.00 15.33           O  
-ATOM   3491  CB  LEU D  31     -12.961  -0.342 -11.951  1.00 12.02           C  
-ATOM   3492  CG  LEU D  31     -11.524  -0.502 -11.963  1.00 17.81           C  
-ATOM   3493  CD1 LEU D  31     -10.867  -0.718 -10.607  1.00 18.94           C  
-ATOM   3494  CD2 LEU D  31     -11.112  -1.549 -12.889  1.00 18.38           C  
-ATOM   3495  N   LEU D  32     -13.461   2.265 -13.601  1.00  8.95           N  
-ATOM   3496  CA  LEU D  32     -13.016   3.232 -14.475  1.00 13.61           C  
-ATOM   3497  C   LEU D  32     -13.249   4.589 -14.109  1.00 13.07           C  
-ATOM   3498  O   LEU D  32     -12.457   5.593 -14.562  1.00 15.98           O  
-ATOM   3499  CB  LEU D  32     -13.512   2.944 -15.805  1.00 14.00           C  
-ATOM   3500  CG  LEU D  32     -12.943   1.707 -16.403  1.00 23.55           C  
-ATOM   3501  CD1 LEU D  32     -13.857   1.407 -17.761  1.00 25.80           C  
-ATOM   3502  CD2 LEU D  32     -11.759   1.263 -16.551  1.00 26.67           C  
-ATOM   3503  N   VAL D  33     -14.340   4.892 -13.280  1.00 13.83           N  
-ATOM   3504  CA  VAL D  33     -14.717   6.296 -12.776  1.00 13.13           C  
-ATOM   3505  C   VAL D  33     -13.702   6.655 -11.697  1.00 16.82           C  
-ATOM   3506  O   VAL D  33     -13.288   7.735 -11.589  1.00 15.10           O  
-ATOM   3507  CB  VAL D  33     -16.181   6.271 -12.468  1.00 11.59           C  
-ATOM   3508  CG1 VAL D  33     -16.396   7.592 -11.833  1.00 21.42           C  
-ATOM   3509  CG2 VAL D  33     -16.955   6.215 -13.830  1.00 18.60           C  
-ATOM   3510  N   VAL D  34     -13.788   5.741 -10.696  1.00 12.61           N  
-ATOM   3511  CA  VAL D  34     -13.205   6.102  -9.422  1.00 13.03           C  
-ATOM   3512  C   VAL D  34     -11.709   6.268  -9.501  1.00 15.88           C  
-ATOM   3513  O   VAL D  34     -11.074   6.862  -8.702  1.00 16.40           O  
-ATOM   3514  CB  VAL D  34     -13.754   5.224  -8.226  1.00 15.07           C  
-ATOM   3515  CG1 VAL D  34     -13.038   5.375  -6.973  1.00 13.90           C  
-ATOM   3516  CG2 VAL D  34     -15.220   5.422  -8.063  1.00 18.23           C  
-ATOM   3517  N   TYR D  35     -11.136   5.248 -10.266  1.00 11.62           N  
-ATOM   3518  CA  TYR D  35      -9.629   5.095 -10.409  1.00 14.47           C  
-ATOM   3519  C   TYR D  35      -9.420   5.204 -11.973  1.00 16.31           C  
-ATOM   3520  O   TYR D  35      -9.060   4.177 -12.606  1.00 17.14           O  
-ATOM   3521  CB  TYR D  35      -9.241   3.705  -9.961  1.00 14.04           C  
-ATOM   3522  CG  TYR D  35      -9.664   3.371  -8.620  1.00 16.50           C  
-ATOM   3523  CD1 TYR D  35      -9.076   4.102  -7.605  1.00 16.28           C  
-ATOM   3524  CD2 TYR D  35     -10.520   2.540  -8.304  1.00 21.92           C  
-ATOM   3525  CE1 TYR D  35      -9.315   3.966  -6.162  1.00 18.51           C  
-ATOM   3526  CE2 TYR D  35     -10.873   2.362  -6.966  1.00 25.13           C  
-ATOM   3527  CZ  TYR D  35     -10.254   3.015  -5.920  1.00 19.91           C  
-ATOM   3528  OH  TYR D  35     -10.861   2.820  -4.629  1.00 21.91           O  
-ATOM   3529  N   PRO D  36      -9.392   6.463 -12.417  1.00 14.59           N  
-ATOM   3530  CA  PRO D  36      -9.346   6.600 -14.037  1.00 16.73           C  
-ATOM   3531  C   PRO D  36      -8.099   6.185 -14.723  1.00 13.23           C  
-ATOM   3532  O   PRO D  36      -8.183   5.907 -15.944  1.00 15.17           O  
-ATOM   3533  CB  PRO D  36      -9.750   8.096 -14.119  1.00 24.30           C  
-ATOM   3534  CG  PRO D  36      -9.458   8.680 -12.746  1.00 25.67           C  
-ATOM   3535  CD  PRO D  36      -9.575   7.632 -11.872  1.00 17.58           C  
-ATOM   3536  N   TRP D  37      -6.974   5.929 -13.940  1.00 13.75           N  
-ATOM   3537  CA  TRP D  37      -5.897   5.496 -14.615  1.00 15.13           C  
-ATOM   3538  C   TRP D  37      -5.961   4.094 -15.089  1.00 14.32           C  
-ATOM   3539  O   TRP D  37      -5.292   3.617 -16.098  1.00 19.70           O  
-ATOM   3540  CB  TRP D  37      -4.642   5.522 -13.687  1.00 13.13           C  
-ATOM   3541  CG  TRP D  37      -4.793   4.873 -12.298  1.00  8.65           C  
-ATOM   3542  CD1 TRP D  37      -4.494   3.633 -11.929  1.00 13.10           C  
-ATOM   3543  CD2 TRP D  37      -5.201   5.532 -10.999  1.00 14.59           C  
-ATOM   3544  NE1 TRP D  37      -4.604   3.407 -10.644  1.00 17.65           N  
-ATOM   3545  CE2 TRP D  37      -5.232   4.530 -10.117  1.00 16.05           C  
-ATOM   3546  CE3 TRP D  37      -5.786   6.762 -10.728  1.00 11.20           C  
-ATOM   3547  CZ2 TRP D  37      -5.541   4.775  -8.606  1.00 26.88           C  
-ATOM   3548  CZ3 TRP D  37      -6.287   7.021  -9.443  1.00 11.28           C  
-ATOM   3549  CH2 TRP D  37      -5.996   6.001  -8.551  1.00 16.90           C  
-ATOM   3550  N   THR D  38      -6.984   3.333 -14.581  1.00 16.64           N  
-ATOM   3551  CA  THR D  38      -7.362   1.995 -14.995  1.00 14.14           C  
-ATOM   3552  C   THR D  38      -7.792   2.033 -16.539  1.00 18.16           C  
-ATOM   3553  O   THR D  38      -7.920   0.930 -17.161  1.00 16.15           O  
-ATOM   3554  CB  THR D  38      -8.440   1.318 -14.155  1.00 11.09           C  
-ATOM   3555  OG1 THR D  38      -9.618   2.008 -14.130  1.00 14.48           O  
-ATOM   3556  CG2 THR D  38      -7.730   1.043 -12.892  1.00 16.14           C  
-ATOM   3557  N   GLN D  39      -8.345   3.275 -16.962  1.00 12.07           N  
-ATOM   3558  CA  GLN D  39      -8.833   3.256 -18.352  1.00 10.72           C  
-ATOM   3559  C   GLN D  39      -7.732   3.116 -19.349  1.00 16.84           C  
-ATOM   3560  O   GLN D  39      -7.933   2.801 -20.471  1.00 21.52           O  
-ATOM   3561  CB  GLN D  39      -9.205   4.786 -18.517  1.00 13.63           C  
-ATOM   3562  CG  GLN D  39     -10.419   4.929 -17.639  1.00 17.04           C  
-ATOM   3563  CD  GLN D  39     -10.861   6.282 -17.855  1.00 23.47           C  
-ATOM   3564  OE1 GLN D  39     -10.432   7.200 -18.833  1.00 25.04           O  
-ATOM   3565  NE2 GLN D  39     -11.740   6.840 -16.888  1.00 28.38           N  
-ATOM   3566  N   ARG D  40      -6.331   2.999 -19.002  1.00 12.32           N  
-ATOM   3567  CA  ARG D  40      -5.095   2.844 -19.730  1.00 16.79           C  
-ATOM   3568  C   ARG D  40      -5.433   1.605 -20.411  1.00 17.58           C  
-ATOM   3569  O   ARG D  40      -4.682   1.315 -21.633  1.00 20.86           O  
-ATOM   3570  CB  ARG D  40      -3.966   2.461 -18.813  1.00 22.83           C  
-ATOM   3571  CG  ARG D  40      -3.694   1.460 -18.189  1.00 37.26           C  
-ATOM   3572  CD  ARG D  40      -2.418   1.834 -17.304  1.00 23.75           C  
-ATOM   3573  NE  ARG D  40      -1.279   2.091 -17.831  1.00 28.71           N  
-ATOM   3574  CZ  ARG D  40      -0.609   1.176 -18.760  1.00 41.77           C  
-ATOM   3575  NH1 ARG D  40      -0.700   0.067 -18.486  1.00 31.05           N  
-ATOM   3576  NH2 ARG D  40       0.625   1.911 -19.038  1.00 37.79           N  
-ATOM   3577  N   PHE D  41      -6.207   0.540 -20.107  1.00 15.17           N  
-ATOM   3578  CA  PHE D  41      -6.336  -0.770 -20.711  1.00 16.55           C  
-ATOM   3579  C   PHE D  41      -7.612  -0.691 -21.880  1.00 20.00           C  
-ATOM   3580  O   PHE D  41      -7.651  -1.868 -22.265  1.00 23.52           O  
-ATOM   3581  CB  PHE D  41      -6.568  -1.995 -19.811  1.00 13.75           C  
-ATOM   3582  CG  PHE D  41      -5.344  -2.033 -18.714  1.00 12.41           C  
-ATOM   3583  CD1 PHE D  41      -5.592  -1.379 -17.449  1.00 16.97           C  
-ATOM   3584  CD2 PHE D  41      -4.233  -2.496 -19.084  1.00 18.05           C  
-ATOM   3585  CE1 PHE D  41      -4.371  -1.693 -16.818  1.00 23.07           C  
-ATOM   3586  CE2 PHE D  41      -3.008  -2.505 -18.298  1.00 24.82           C  
-ATOM   3587  CZ  PHE D  41      -3.359  -2.006 -17.025  1.00 25.09           C  
-ATOM   3588  N   PHE D  42      -8.192   0.386 -21.832  1.00 15.21           N  
-ATOM   3589  CA  PHE D  42      -9.461   0.148 -22.436  1.00 14.18           C  
-ATOM   3590  C   PHE D  42      -9.645   1.104 -23.586  1.00 19.41           C  
-ATOM   3591  O   PHE D  42     -10.690   1.871 -23.828  1.00 18.71           O  
-ATOM   3592  CB  PHE D  42     -10.613   0.298 -21.592  1.00 21.58           C  
-ATOM   3593  CG  PHE D  42     -10.602  -1.034 -20.710  1.00 17.63           C  
-ATOM   3594  CD1 PHE D  42     -10.145  -0.545 -19.164  1.00 20.37           C  
-ATOM   3595  CD2 PHE D  42     -11.012  -2.318 -21.048  1.00 20.14           C  
-ATOM   3596  CE1 PHE D  42     -10.225  -1.848 -18.434  1.00 27.02           C  
-ATOM   3597  CE2 PHE D  42     -10.887  -3.301 -20.223  1.00 27.08           C  
-ATOM   3598  CZ  PHE D  42     -10.474  -2.972 -18.757  1.00 18.28           C  
-ATOM   3599  N   GLU D  43      -8.375   1.400 -24.058  1.00 32.32           N  
-ATOM   3600  CA  GLU D  43      -8.561   2.747 -24.914  1.00 33.61           C  
-ATOM   3601  C   GLU D  43      -9.574   2.656 -26.563  1.00 12.75           C  
-ATOM   3602  O   GLU D  43      -9.904   3.604 -26.926  1.00 26.94           O  
-ATOM   3603  CB  GLU D  43      -7.590   2.897 -25.572  1.00 65.31           C  
-ATOM   3604  CG  GLU D  43      -6.882   2.859 -25.890  1.00 43.00           C  
-ATOM   3605  CD  GLU D  43      -6.060   4.011 -24.596  1.00 32.00           C  
-ATOM   3606  OE1 GLU D  43      -6.764   5.450 -24.611  1.00 29.89           O  
-ATOM   3607  OE2 GLU D  43      -4.721   4.728 -24.142  1.00 58.55           O  
-ATOM   3608  N   SER D  44      -9.605   1.289 -26.702  1.00 19.02           N  
-ATOM   3609  CA  SER D  44     -10.333   0.707 -27.924  1.00 25.67           C  
-ATOM   3610  C   SER D  44     -11.604   0.898 -27.554  1.00 26.66           C  
-ATOM   3611  O   SER D  44     -12.646   0.619 -28.203  1.00 32.13           O  
-ATOM   3612  CB  SER D  44     -10.139  -0.585 -28.237  1.00 42.87           C  
-ATOM   3613  OG  SER D  44     -10.504  -1.572 -27.556  1.00 44.29           O  
-ATOM   3614  N   PHE D  45     -12.328   1.230 -26.297  1.00 27.34           N  
-ATOM   3615  CA  PHE D  45     -13.753   1.140 -25.852  1.00 24.93           C  
-ATOM   3616  C   PHE D  45     -14.575   2.593 -26.282  1.00 23.30           C  
-ATOM   3617  O   PHE D  45     -15.815   2.187 -25.861  1.00 31.71           O  
-ATOM   3618  CB  PHE D  45     -13.703   0.919 -24.328  1.00 26.07           C  
-ATOM   3619  CG  PHE D  45     -13.645  -0.527 -24.075  1.00 19.10           C  
-ATOM   3620  CD1 PHE D  45     -14.209  -0.901 -22.815  1.00 43.96           C  
-ATOM   3621  CD2 PHE D  45     -13.155  -1.495 -24.645  1.00 26.17           C  
-ATOM   3622  CE1 PHE D  45     -14.066  -2.469 -22.506  1.00 29.49           C  
-ATOM   3623  CE2 PHE D  45     -12.912  -2.782 -24.307  1.00 32.75           C  
-ATOM   3624  CZ  PHE D  45     -13.459  -3.397 -23.316  1.00 28.04           C  
-ATOM   3625  N   GLY D  46     -14.104   3.279 -26.525  1.00 35.08           N  
-ATOM   3626  CA  GLY D  46     -14.935   4.262 -26.788  1.00 34.51           C  
-ATOM   3627  C   GLY D  46     -15.024   5.841 -25.884  1.00 32.00           C  
-ATOM   3628  O   GLY D  46     -13.703   5.710 -25.436  1.00 42.65           O  
-ATOM   3629  N   ASP D  47     -16.270   6.088 -25.501  1.00 33.75           N  
-ATOM   3630  CA  ASP D  47     -15.315   7.928 -25.257  1.00 43.29           C  
-ATOM   3631  C   ASP D  47     -15.918   7.002 -23.097  1.00 24.69           C  
-ATOM   3632  O   ASP D  47     -17.090   6.340 -23.091  1.00 33.08           O  
-ATOM   3633  CB  ASP D  47     -17.246   8.111 -25.348  1.00 48.49           C  
-ATOM   3634  CG  ASP D  47     -17.316   9.636 -24.481  1.00 50.77           C  
-ATOM   3635  OD1 ASP D  47     -18.624   9.821 -24.553  1.00 57.75           O  
-ATOM   3636  OD2 ASP D  47     -16.233  10.163 -24.247  1.00 45.03           O  
-ATOM   3637  N   LEU D  48     -14.887   7.498 -22.782  1.00 25.73           N  
-ATOM   3638  CA  LEU D  48     -14.700   7.013 -21.145  1.00 29.97           C  
-ATOM   3639  C   LEU D  48     -14.723   8.417 -20.213  1.00 32.06           C  
-ATOM   3640  O   LEU D  48     -13.912   8.444 -19.219  1.00 36.43           O  
-ATOM   3641  CB  LEU D  48     -13.472   6.468 -21.109  1.00 41.80           C  
-ATOM   3642  CG  LEU D  48     -13.862   5.004 -21.634  1.00 22.03           C  
-ATOM   3643  CD1 LEU D  48     -12.363   4.146 -21.342  1.00 37.56           C  
-ATOM   3644  CD2 LEU D  48     -15.085   4.189 -21.243  1.00 29.67           C  
-ATOM   3645  N   SER D  49     -15.191   9.523 -21.130  1.00 38.40           N  
-ATOM   3646  CA  SER D  49     -14.387  10.788 -20.677  1.00 43.30           C  
-ATOM   3647  C   SER D  49     -15.473  11.721 -19.486  1.00 46.97           C  
-ATOM   3648  O   SER D  49     -14.763  12.145 -18.356  1.00 46.32           O  
-ATOM   3649  CB  SER D  49     -14.644  11.939 -21.771  1.00 47.25           C  
-ATOM   3650  OG  SER D  49     -16.017  12.123 -22.081  1.00 49.74           O  
-ATOM   3651  N   THR D  50     -16.621  11.041 -19.530  1.00 43.91           N  
-ATOM   3652  CA  THR D  50     -16.855  11.313 -17.860  1.00 36.95           C  
-ATOM   3653  C   THR D  50     -18.023  10.172 -17.341  1.00 36.10           C  
-ATOM   3654  O   THR D  50     -18.171   9.157 -18.076  1.00 28.99           O  
-ATOM   3655  CB  THR D  50     -18.590  12.293 -18.547  1.00 37.26           C  
-ATOM   3656  OG1 THR D  50     -19.750  11.618 -19.297  1.00 36.38           O  
-ATOM   3657  CG2 THR D  50     -18.025  13.508 -19.178  1.00 56.40           C  
-ATOM   3658  N   PRO D  51     -18.501  10.284 -16.193  1.00 37.42           N  
-ATOM   3659  CA  PRO D  51     -19.225   9.303 -15.560  1.00 32.59           C  
-ATOM   3660  C   PRO D  51     -20.269   8.625 -16.174  1.00 29.25           C  
-ATOM   3661  O   PRO D  51     -20.632   7.313 -16.333  1.00 26.15           O  
-ATOM   3662  CB  PRO D  51     -19.687   9.933 -14.153  1.00 37.41           C  
-ATOM   3663  CG  PRO D  51     -18.587  10.776 -13.939  1.00 36.57           C  
-ATOM   3664  CD  PRO D  51     -18.147  11.586 -15.357  1.00 42.54           C  
-ATOM   3665  N   ASP D  52     -21.166   9.545 -16.896  1.00 30.65           N  
-ATOM   3666  CA  ASP D  52     -22.575   8.738 -17.587  1.00 39.40           C  
-ATOM   3667  C   ASP D  52     -21.861   8.056 -18.864  1.00 56.69           C  
-ATOM   3668  O   ASP D  52     -22.611   7.193 -19.113  1.00 40.69           O  
-ATOM   3669  CB  ASP D  52     -23.192  10.048 -17.807  1.00 43.19           C  
-ATOM   3670  CG  ASP D  52     -24.003  11.080 -16.646  1.00 63.04           C  
-ATOM   3671  OD1 ASP D  52     -23.975  10.324 -15.803  1.00 49.71           O  
-ATOM   3672  OD2 ASP D  52     -21.902  12.263 -16.248  1.00 60.40           O  
-ATOM   3673  N   ALA D  53     -21.035   8.713 -19.489  1.00 26.05           N  
-ATOM   3674  CA  ALA D  53     -20.460   8.256 -20.648  1.00 33.75           C  
-ATOM   3675  C   ALA D  53     -19.850   6.612 -20.478  1.00 42.76           C  
-ATOM   3676  O   ALA D  53     -20.052   5.785 -20.744  1.00 38.58           O  
-ATOM   3677  CB  ALA D  53     -19.424   8.739 -21.252  1.00 40.18           C  
-ATOM   3678  N   VAL D  54     -18.829   6.696 -19.306  1.00 27.10           N  
-ATOM   3679  CA  VAL D  54     -18.358   5.224 -18.836  1.00 25.12           C  
-ATOM   3680  C   VAL D  54     -19.446   4.410 -18.467  1.00 26.50           C  
-ATOM   3681  O   VAL D  54     -19.614   3.128 -18.953  1.00 24.76           O  
-ATOM   3682  CB  VAL D  54     -17.388   5.607 -17.705  1.00 26.67           C  
-ATOM   3683  CG1 VAL D  54     -17.066   4.042 -17.246  1.00 25.19           C  
-ATOM   3684  CG2 VAL D  54     -16.359   6.289 -17.975  1.00 31.48           C  
-ATOM   3685  N   MET D  55     -20.628   4.739 -17.700  1.00 25.87           N  
-ATOM   3686  CA  MET D  55     -21.589   3.767 -17.229  1.00 29.84           C  
-ATOM   3687  C   MET D  55     -22.865   3.307 -18.556  1.00 35.52           C  
-ATOM   3688  O   MET D  55     -23.112   2.208 -18.285  1.00 32.07           O  
-ATOM   3689  CB  MET D  55     -22.456   4.472 -15.982  1.00 26.28           C  
-ATOM   3690  CG  MET D  55     -21.631   4.626 -15.056  1.00 36.16           C  
-ATOM   3691  SD  MET D  55     -20.389   3.558 -14.111  1.00 25.36           S  
-ATOM   3692  CE  MET D  55     -21.479   2.431 -13.702  1.00 19.21           C  
-ATOM   3693  N   GLY D  56     -22.639   4.442 -19.311  1.00 30.97           N  
-ATOM   3694  CA  GLY D  56     -23.658   3.737 -20.126  1.00 35.09           C  
-ATOM   3695  C   GLY D  56     -22.967   3.067 -21.283  1.00 44.75           C  
-ATOM   3696  O   GLY D  56     -23.331   2.815 -22.514  1.00 34.49           O  
-ATOM   3697  N   ASN D  57     -21.558   3.094 -21.617  1.00 25.90           N  
-ATOM   3698  CA  ASN D  57     -20.747   2.578 -22.658  1.00 29.86           C  
-ATOM   3699  C   ASN D  57     -21.034   1.130 -22.652  1.00 26.15           C  
-ATOM   3700  O   ASN D  57     -20.989   0.128 -21.968  1.00 26.55           O  
-ATOM   3701  CB  ASN D  57     -19.324   2.902 -22.444  1.00 30.42           C  
-ATOM   3702  CG  ASN D  57     -18.502   2.332 -23.503  1.00 23.49           C  
-ATOM   3703  OD1 ASN D  57     -18.423   1.194 -24.009  1.00 31.02           O  
-ATOM   3704  ND2 ASN D  57     -17.712   3.179 -23.808  1.00 27.30           N  
-ATOM   3705  N   PRO D  58     -21.467   0.671 -23.926  1.00 29.25           N  
-ATOM   3706  CA  PRO D  58     -21.926  -0.726 -24.096  1.00 25.97           C  
-ATOM   3707  C   PRO D  58     -20.503  -1.629 -24.124  1.00 16.05           C  
-ATOM   3708  O   PRO D  58     -20.837  -2.940 -23.655  1.00 24.61           O  
-ATOM   3709  CB  PRO D  58     -22.522  -0.927 -25.620  1.00 33.18           C  
-ATOM   3710  CG  PRO D  58     -21.947   0.977 -25.418  1.00 59.49           C  
-ATOM   3711  CD  PRO D  58     -21.892   1.180 -25.502  1.00 43.36           C  
-ATOM   3712  N   LYS D  59     -19.460  -1.283 -24.501  1.00 21.03           N  
-ATOM   3713  CA  LYS D  59     -18.361  -2.042 -24.450  1.00 25.38           C  
-ATOM   3714  C   LYS D  59     -17.715  -2.407 -22.856  1.00 17.84           C  
-ATOM   3715  O   LYS D  59     -17.308  -3.569 -22.731  1.00 21.39           O  
-ATOM   3716  CB  LYS D  59     -17.227  -1.661 -25.270  1.00 32.15           C  
-ATOM   3717  CG  LYS D  59     -17.383  -1.768 -26.732  1.00 48.59           C  
-ATOM   3718  CD  LYS D  59     -16.823  -1.145 -27.228  1.00 53.12           C  
-ATOM   3719  CE  LYS D  59     -15.877  -1.703 -28.754  1.00 53.54           C  
-ATOM   3720  NZ  LYS D  59     -16.728  -0.847 -29.838  1.00 62.98           N  
-ATOM   3721  N   VAL D  60     -18.099  -1.250 -22.201  1.00 18.98           N  
-ATOM   3722  CA  VAL D  60     -17.893  -1.490 -20.566  1.00 19.06           C  
-ATOM   3723  C   VAL D  60     -18.582  -2.535 -20.118  1.00 17.34           C  
-ATOM   3724  O   VAL D  60     -18.311  -3.436 -19.262  1.00 23.46           O  
-ATOM   3725  CB  VAL D  60     -17.740  -0.068 -19.973  1.00 21.26           C  
-ATOM   3726  CG1 VAL D  60     -17.894  -0.452 -18.381  1.00 33.14           C  
-ATOM   3727  CG2 VAL D  60     -16.838   0.852 -20.547  1.00 22.06           C  
-ATOM   3728  N   LYS D  61     -20.037  -2.374 -20.306  1.00 22.59           N  
-ATOM   3729  CA  LYS D  61     -21.055  -3.383 -19.935  1.00 26.15           C  
-ATOM   3730  C   LYS D  61     -20.810  -4.741 -20.319  1.00 17.30           C  
-ATOM   3731  O   LYS D  61     -20.683  -5.728 -19.595  1.00 21.45           O  
-ATOM   3732  CB  LYS D  61     -22.507  -2.996 -20.257  1.00 26.85           C  
-ATOM   3733  CG  LYS D  61     -22.914  -1.601 -19.668  1.00 38.21           C  
-ATOM   3734  CD  LYS D  61     -23.980  -1.298 -20.293  1.00 63.66           C  
-ATOM   3735  CE  LYS D  61     -25.073  -0.202 -19.530  1.00 68.06           C  
-ATOM   3736  NZ  LYS D  61     -26.116   0.022 -20.150  1.00 60.84           N  
-ATOM   3737  N   ALA D  62     -20.349  -4.906 -21.599  1.00 19.16           N  
-ATOM   3738  CA  ALA D  62     -20.005  -6.284 -22.177  1.00 20.58           C  
-ATOM   3739  C   ALA D  62     -18.862  -7.045 -21.486  1.00 20.27           C  
-ATOM   3740  O   ALA D  62     -18.872  -8.142 -21.107  1.00 20.37           O  
-ATOM   3741  CB  ALA D  62     -19.803  -6.090 -23.619  1.00 22.88           C  
-ATOM   3742  N   HIS D  63     -17.847  -6.087 -21.291  1.00 19.01           N  
-ATOM   3743  CA  HIS D  63     -16.655  -6.703 -20.657  1.00 22.19           C  
-ATOM   3744  C   HIS D  63     -16.866  -6.900 -19.133  1.00 18.77           C  
-ATOM   3745  O   HIS D  63     -16.263  -7.930 -18.702  1.00 19.91           O  
-ATOM   3746  CB  HIS D  63     -15.613  -5.996 -20.822  1.00 33.38           C  
-ATOM   3747  CG  HIS D  63     -13.969  -6.285 -20.598  1.00 22.34           C  
-ATOM   3748  ND1 HIS D  63     -13.645  -7.369 -21.205  1.00 25.81           N  
-ATOM   3749  CD2 HIS D  63     -13.423  -5.898 -19.324  1.00 33.81           C  
-ATOM   3750  CE1 HIS D  63     -12.413  -7.623 -20.166  1.00 24.99           C  
-ATOM   3751  NE2 HIS D  63     -12.303  -6.521 -19.735  1.00 32.42           N  
-ATOM   3752  N   GLY D  64     -17.554  -5.957 -18.637  1.00 15.38           N  
-ATOM   3753  CA  GLY D  64     -17.922  -6.237 -17.300  1.00 18.66           C  
-ATOM   3754  C   GLY D  64     -18.656  -7.558 -16.822  1.00 23.30           C  
-ATOM   3755  O   GLY D  64     -18.361  -8.374 -16.052  1.00 21.27           O  
-ATOM   3756  N   LYS D  65     -19.546  -7.946 -17.963  1.00 22.12           N  
-ATOM   3757  CA  LYS D  65     -20.149  -9.350 -17.810  1.00 26.40           C  
-ATOM   3758  C   LYS D  65     -19.206 -10.475 -18.054  1.00 25.29           C  
-ATOM   3759  O   LYS D  65     -19.376 -11.449 -17.320  1.00 24.58           O  
-ATOM   3760  CB  LYS D  65     -21.237  -9.249 -19.016  1.00 42.10           C  
-ATOM   3761  CG  LYS D  65     -21.741 -10.662 -18.763  1.00 41.04           C  
-ATOM   3762  CD  LYS D  65     -22.779 -10.191 -20.722  1.00 41.66           C  
-ATOM   3763  CE  LYS D  65     -22.954 -12.381 -20.558  1.00 58.61           C  
-ATOM   3764  NZ  LYS D  65     -24.294 -12.168 -21.421  1.00 49.59           N  
-ATOM   3765  N   LYS D  66     -18.192 -10.318 -18.949  1.00 22.59           N  
-ATOM   3766  CA  LYS D  66     -17.187 -11.342 -19.305  1.00 23.91           C  
-ATOM   3767  C   LYS D  66     -16.648 -11.569 -17.853  1.00 25.32           C  
-ATOM   3768  O   LYS D  66     -16.190 -12.713 -17.500  1.00 23.23           O  
-ATOM   3769  CB  LYS D  66     -16.360 -10.927 -20.397  1.00 18.18           C  
-ATOM   3770  CG  LYS D  66     -15.506 -11.226 -21.025  1.00 49.93           C  
-ATOM   3771  CD  LYS D  66     -15.452 -11.136 -23.086  1.00 31.44           C  
-ATOM   3772  CE  LYS D  66     -14.594 -13.236 -23.101  1.00 50.83           C  
-ATOM   3773  NZ  LYS D  66     -13.105 -13.073 -24.350  1.00 53.30           N  
-ATOM   3774  N   VAL D  67     -16.012 -10.379 -17.238  1.00 17.89           N  
-ATOM   3775  CA  VAL D  67     -15.129 -10.761 -16.039  1.00 17.07           C  
-ATOM   3776  C   VAL D  67     -15.858 -11.174 -14.995  1.00 11.37           C  
-ATOM   3777  O   VAL D  67     -15.392 -12.090 -14.267  1.00 18.26           O  
-ATOM   3778  CB  VAL D  67     -14.485  -9.126 -15.950  1.00 18.16           C  
-ATOM   3779  CG1 VAL D  67     -14.204  -9.183 -14.372  1.00 22.61           C  
-ATOM   3780  CG2 VAL D  67     -13.683  -8.637 -17.078  1.00 19.30           C  
-ATOM   3781  N   LEU D  68     -17.081 -10.772 -14.714  1.00 12.24           N  
-ATOM   3782  CA  LEU D  68     -17.709 -11.246 -13.544  1.00 14.83           C  
-ATOM   3783  C   LEU D  68     -18.294 -12.710 -13.662  1.00 13.25           C  
-ATOM   3784  O   LEU D  68     -18.430 -13.575 -12.845  1.00 18.25           O  
-ATOM   3785  CB  LEU D  68     -18.960 -10.522 -12.977  1.00 23.35           C  
-ATOM   3786  CG  LEU D  68     -19.065  -9.950 -11.782  1.00 32.52           C  
-ATOM   3787  CD1 LEU D  68     -18.211 -10.021 -10.888  1.00 40.78           C  
-ATOM   3788  CD2 LEU D  68     -20.119  -9.201 -11.516  1.00 39.22           C  
-ATOM   3789  N   GLY D  69     -18.532 -13.001 -15.044  1.00 22.38           N  
-ATOM   3790  CA  GLY D  69     -18.677 -14.387 -15.364  1.00 27.48           C  
-ATOM   3791  C   GLY D  69     -17.639 -15.482 -15.016  1.00 17.57           C  
-ATOM   3792  O   GLY D  69     -17.849 -16.416 -14.366  1.00 21.01           O  
-ATOM   3793  N   ALA D  70     -16.381 -14.966 -15.333  1.00 17.61           N  
-ATOM   3794  CA  ALA D  70     -15.237 -15.816 -14.969  1.00 17.42           C  
-ATOM   3795  C   ALA D  70     -15.098 -15.818 -13.537  1.00 19.59           C  
-ATOM   3796  O   ALA D  70     -14.642 -16.873 -12.761  1.00 18.72           O  
-ATOM   3797  CB  ALA D  70     -14.109 -15.221 -15.702  1.00 18.83           C  
-ATOM   3798  N   PHE D  71     -15.369 -14.689 -12.922  1.00 18.97           N  
-ATOM   3799  CA  PHE D  71     -15.352 -14.546 -11.295  1.00 24.55           C  
-ATOM   3800  C   PHE D  71     -16.405 -15.564 -10.716  1.00 22.73           C  
-ATOM   3801  O   PHE D  71     -15.988 -16.296  -9.916  1.00 26.00           O  
-ATOM   3802  CB  PHE D  71     -15.526 -13.076 -10.943  1.00 18.78           C  
-ATOM   3803  CG  PHE D  71     -15.587 -12.889  -9.418  1.00 15.63           C  
-ATOM   3804  CD1 PHE D  71     -14.330 -12.356  -8.913  1.00 23.81           C  
-ATOM   3805  CD2 PHE D  71     -16.955 -13.108  -8.941  1.00 34.86           C  
-ATOM   3806  CE1 PHE D  71     -14.431 -12.324  -7.507  1.00 19.91           C  
-ATOM   3807  CE2 PHE D  71     -16.645 -13.000  -7.472  1.00 36.36           C  
-ATOM   3808  CZ  PHE D  71     -15.423 -12.584  -6.796  1.00 26.08           C  
-ATOM   3809  N   SER D  72     -17.526 -15.632 -11.448  1.00 19.94           N  
-ATOM   3810  CA  SER D  72     -18.560 -16.484 -11.205  1.00 23.38           C  
-ATOM   3811  C   SER D  72     -18.098 -17.836 -10.814  1.00 24.72           C  
-ATOM   3812  O   SER D  72     -18.305 -18.802  -9.908  1.00 26.53           O  
-ATOM   3813  CB  SER D  72     -20.212 -16.588 -11.400  1.00 29.23           C  
-ATOM   3814  OG  SER D  72     -20.268 -15.282 -11.624  1.00 41.11           O  
-ATOM   3815  N   ASP D  73     -17.601 -18.307 -12.047  1.00 28.33           N  
-ATOM   3816  CA  ASP D  73     -16.810 -19.464 -12.087  1.00 41.54           C  
-ATOM   3817  C   ASP D  73     -16.106 -20.105 -11.342  1.00 28.94           C  
-ATOM   3818  O   ASP D  73     -15.997 -21.061 -10.645  1.00 34.21           O  
-ATOM   3819  CB  ASP D  73     -16.190 -20.100 -13.720  1.00 46.96           C  
-ATOM   3820  CG  ASP D  73     -17.426 -20.027 -14.053  1.00 54.92           C  
-ATOM   3821  OD1 ASP D  73     -18.701 -19.481 -14.810  1.00 44.49           O  
-ATOM   3822  OD2 ASP D  73     -16.811 -19.333 -16.112  1.00 50.27           O  
-ATOM   3823  N   GLY D  74     -15.211 -19.059 -10.501  1.00 26.75           N  
-ATOM   3824  CA  GLY D  74     -14.376 -19.390  -9.473  1.00 22.69           C  
-ATOM   3825  C   GLY D  74     -14.851 -19.537  -8.039  1.00 23.14           C  
-ATOM   3826  O   GLY D  74     -14.419 -20.191  -7.094  1.00 29.20           O  
-ATOM   3827  N   LEU D  75     -16.177 -18.924  -8.005  1.00 21.18           N  
-ATOM   3828  CA  LEU D  75     -16.870 -19.385  -6.815  1.00 34.17           C  
-ATOM   3829  C   LEU D  75     -17.117 -20.780  -6.565  1.00 37.46           C  
-ATOM   3830  O   LEU D  75     -17.563 -21.063  -5.534  1.00 40.90           O  
-ATOM   3831  CB  LEU D  75     -18.078 -18.207  -6.714  1.00 36.63           C  
-ATOM   3832  CG  LEU D  75     -17.957 -16.908  -6.209  1.00 28.96           C  
-ATOM   3833  CD1 LEU D  75     -16.674 -16.783  -5.652  1.00 54.84           C  
-ATOM   3834  CD2 LEU D  75     -18.450 -15.831  -6.570  1.00 41.72           C  
-ATOM   3835  N   ALA D  76     -17.372 -21.329  -7.689  1.00 36.74           N  
-ATOM   3836  CA  ALA D  76     -17.490 -23.239  -8.009  1.00 46.27           C  
-ATOM   3837  C   ALA D  76     -16.460 -23.394  -7.753  1.00 39.68           C  
-ATOM   3838  O   ALA D  76     -16.371 -24.793  -7.251  1.00 39.55           O  
-ATOM   3839  CB  ALA D  76     -18.034 -22.779  -9.158  1.00 52.59           C  
-ATOM   3840  N   HIS D  77     -15.221 -22.931  -7.252  1.00 34.88           N  
-ATOM   3841  CA  HIS D  77     -14.175 -23.705  -7.014  1.00 37.75           C  
-ATOM   3842  C   HIS D  77     -12.911 -22.947  -6.253  1.00 36.30           C  
-ATOM   3843  O   HIS D  77     -11.715 -22.807  -6.207  1.00 30.91           O  
-ATOM   3844  CB  HIS D  77     -13.016 -23.968  -8.303  1.00 35.95           C  
-ATOM   3845  CG  HIS D  77     -13.662 -24.672  -9.381  1.00 39.15           C  
-ATOM   3846  ND1 HIS D  77     -14.327 -23.756 -10.232  1.00 58.22           N  
-ATOM   3847  CD2 HIS D  77     -13.455 -26.062  -9.566  1.00 48.66           C  
-ATOM   3848  CE1 HIS D  77     -15.214 -25.034 -11.337  1.00 49.77           C  
-ATOM   3849  NE2 HIS D  77     -14.945 -25.798 -10.683  1.00 36.55           N  
-ATOM   3850  N   LEU D  78     -13.652 -22.590  -4.941  1.00 30.38           N  
-ATOM   3851  CA  LEU D  78     -13.049 -22.225  -3.904  1.00 35.53           C  
-ATOM   3852  C   LEU D  78     -11.853 -22.307  -3.241  1.00 31.52           C  
-ATOM   3853  O   LEU D  78     -11.095 -21.930  -2.681  1.00 30.87           O  
-ATOM   3854  CB  LEU D  78     -14.166 -21.218  -2.929  1.00 35.71           C  
-ATOM   3855  CG  LEU D  78     -14.517 -19.696  -3.089  1.00 42.09           C  
-ATOM   3856  CD1 LEU D  78     -16.000 -19.812  -2.269  1.00 40.33           C  
-ATOM   3857  CD2 LEU D  78     -14.206 -18.936  -3.409  1.00 43.79           C  
-ATOM   3858  N   ASP D  79     -11.841 -23.798  -3.366  1.00 27.09           N  
-ATOM   3859  CA  ASP D  79     -10.671 -24.163  -2.603  1.00 39.93           C  
-ATOM   3860  C   ASP D  79      -9.351 -24.818  -3.691  1.00 38.31           C  
-ATOM   3861  O   ASP D  79      -8.220 -24.950  -3.380  1.00 37.24           O  
-ATOM   3862  CB  ASP D  79     -11.204 -25.807  -2.720  1.00 49.19           C  
-ATOM   3863  CG  ASP D  79     -12.348 -25.806  -2.280  1.00 60.14           C  
-ATOM   3864  OD1 ASP D  79     -12.747 -27.563  -1.436  1.00 58.54           O  
-ATOM   3865  OD2 ASP D  79     -11.720 -25.378  -0.450  1.00 49.76           O  
-ATOM   3866  N   ASN D  80      -9.928 -24.165  -4.813  1.00 33.30           N  
-ATOM   3867  CA  ASN D  80      -8.432 -24.074  -5.725  1.00 41.52           C  
-ATOM   3868  C   ASN D  80      -8.757 -22.972  -7.024  1.00 29.72           C  
-ATOM   3869  O   ASN D  80      -8.410 -23.186  -8.009  1.00 26.63           O  
-ATOM   3870  CB  ASN D  80      -8.335 -25.027  -6.387  1.00 65.88           C  
-ATOM   3871  CG  ASN D  80      -8.226 -26.006  -7.178  1.00 79.70           C  
-ATOM   3872  OD1 ASN D  80      -6.646 -26.141  -7.665  1.00 64.12           O  
-ATOM   3873  ND2 ASN D  80      -9.445 -26.052  -7.340  1.00 80.04           N  
-ATOM   3874  N   LEU D  81      -8.454 -21.884  -6.206  1.00 24.36           N  
-ATOM   3875  CA  LEU D  81      -8.539 -20.715  -7.081  1.00 25.83           C  
-ATOM   3876  C   LEU D  81      -7.273 -20.637  -8.041  1.00 31.94           C  
-ATOM   3877  O   LEU D  81      -7.415 -20.270  -9.214  1.00 25.17           O  
-ATOM   3878  CB  LEU D  81      -8.579 -19.629  -6.126  1.00 20.37           C  
-ATOM   3879  CG  LEU D  81      -9.997 -19.259  -5.589  1.00 25.65           C  
-ATOM   3880  CD1 LEU D  81      -9.956 -18.414  -4.674  1.00 40.59           C  
-ATOM   3881  CD2 LEU D  81     -11.103 -19.225  -6.396  1.00 23.30           C  
-ATOM   3882  N   LYS D  82      -6.051 -20.893  -7.415  1.00 30.20           N  
-ATOM   3883  CA  LYS D  82      -4.933 -20.852  -8.394  1.00 28.24           C  
-ATOM   3884  C   LYS D  82      -5.124 -21.707  -9.528  1.00 33.91           C  
-ATOM   3885  O   LYS D  82      -4.821 -21.459 -10.648  1.00 25.48           O  
-ATOM   3886  CB  LYS D  82      -3.611 -21.239  -7.521  1.00 33.73           C  
-ATOM   3887  CG  LYS D  82      -3.123 -20.210  -6.921  1.00 40.61           C  
-ATOM   3888  CD  LYS D  82      -1.453 -20.533  -6.100  1.00 64.29           C  
-ATOM   3889  CE  LYS D  82      -2.245 -18.592  -4.901  1.00 50.61           C  
-ATOM   3890  NZ  LYS D  82      -1.640 -20.210  -4.012  1.00 57.77           N  
-ATOM   3891  N   GLY D  83      -5.684 -23.133  -9.543  1.00 30.21           N  
-ATOM   3892  CA  GLY D  83      -5.556 -24.039 -10.631  1.00 23.41           C  
-ATOM   3893  C   GLY D  83      -6.710 -23.708 -11.373  1.00 31.79           C  
-ATOM   3894  O   GLY D  83      -6.545 -23.384 -12.827  1.00 27.38           O  
-ATOM   3895  N   THR D  84      -7.929 -22.850 -10.943  1.00 27.06           N  
-ATOM   3896  CA  THR D  84      -8.896 -22.475 -11.769  1.00 31.17           C  
-ATOM   3897  C   THR D  84      -8.254 -21.368 -12.862  1.00 35.08           C  
-ATOM   3898  O   THR D  84      -9.023 -21.163 -13.732  1.00 26.93           O  
-ATOM   3899  CB  THR D  84     -10.186 -21.934 -10.990  1.00 26.68           C  
-ATOM   3900  OG1 THR D  84     -10.450 -22.939 -10.341  1.00 41.82           O  
-ATOM   3901  CG2 THR D  84     -11.436 -21.350 -11.615  1.00 32.36           C  
-ATOM   3902  N   PHE D  85      -7.713 -20.405 -12.026  1.00 23.78           N  
-ATOM   3903  CA  PHE D  85      -7.538 -18.984 -12.806  1.00 17.94           C  
-ATOM   3904  C   PHE D  85      -6.138 -19.115 -13.564  1.00 20.32           C  
-ATOM   3905  O   PHE D  85      -5.528 -18.116 -14.137  1.00 18.46           O  
-ATOM   3906  CB  PHE D  85      -7.425 -17.913 -11.819  1.00 16.82           C  
-ATOM   3907  CG  PHE D  85      -8.885 -17.567 -11.680  1.00 15.41           C  
-ATOM   3908  CD1 PHE D  85      -9.422 -17.861 -10.346  1.00 21.43           C  
-ATOM   3909  CD2 PHE D  85      -9.605 -16.833 -12.552  1.00 29.52           C  
-ATOM   3910  CE1 PHE D  85     -10.820 -17.512  -9.993  1.00 27.35           C  
-ATOM   3911  CE2 PHE D  85     -11.060 -16.678 -12.198  1.00 23.38           C  
-ATOM   3912  CZ  PHE D  85     -11.788 -16.979 -10.988  1.00 20.96           C  
-ATOM   3913  N   ALA D  86      -5.306 -20.190 -13.510  1.00 16.78           N  
-ATOM   3914  CA  ALA D  86      -3.786 -20.129 -13.990  1.00 21.66           C  
-ATOM   3915  C   ALA D  86      -3.859 -19.751 -15.592  1.00 13.70           C  
-ATOM   3916  O   ALA D  86      -2.977 -18.900 -15.942  1.00 16.83           O  
-ATOM   3917  CB  ALA D  86      -3.276 -21.717 -14.150  1.00 23.60           C  
-ATOM   3918  N   THR D  87      -4.799 -20.235 -16.291  1.00 17.09           N  
-ATOM   3919  CA  THR D  87      -4.700 -19.770 -17.696  1.00 15.85           C  
-ATOM   3920  C   THR D  87      -4.913 -18.223 -17.934  1.00 17.61           C  
-ATOM   3921  O   THR D  87      -4.226 -17.589 -18.665  1.00 21.97           O  
-ATOM   3922  CB  THR D  87      -5.803 -20.551 -18.552  1.00 23.34           C  
-ATOM   3923  OG1 THR D  87      -5.495 -21.943 -18.388  1.00 26.37           O  
-ATOM   3924  CG2 THR D  87      -5.595 -20.344 -19.930  1.00 26.08           C  
-ATOM   3925  N   LEU D  88      -5.980 -17.807 -17.359  1.00 19.60           N  
-ATOM   3926  CA  LEU D  88      -6.271 -16.457 -17.415  1.00 18.18           C  
-ATOM   3927  C   LEU D  88      -5.187 -15.518 -16.684  1.00 15.66           C  
-ATOM   3928  O   LEU D  88      -4.841 -14.368 -17.168  1.00 16.54           O  
-ATOM   3929  CB  LEU D  88      -7.631 -16.058 -16.725  1.00 24.93           C  
-ATOM   3930  CG  LEU D  88      -8.806 -16.413 -17.604  1.00 29.68           C  
-ATOM   3931  CD1 LEU D  88      -9.913 -16.362 -16.626  1.00 33.11           C  
-ATOM   3932  CD2 LEU D  88      -8.780 -15.785 -18.779  1.00 21.96           C  
-ATOM   3933  N   SER D  89      -4.550 -16.190 -15.577  1.00 21.20           N  
-ATOM   3934  CA  SER D  89      -3.384 -15.545 -14.950  1.00 17.78           C  
-ATOM   3935  C   SER D  89      -2.295 -15.067 -15.986  1.00 16.70           C  
-ATOM   3936  O   SER D  89      -1.619 -14.055 -16.257  1.00 15.86           O  
-ATOM   3937  CB  SER D  89      -2.725 -16.272 -13.880  1.00 19.29           C  
-ATOM   3938  OG  SER D  89      -1.733 -15.529 -13.240  1.00 14.95           O  
-ATOM   3939  N   GLU D  90      -1.806 -16.218 -16.719  1.00 15.58           N  
-ATOM   3940  CA  GLU D  90      -0.961 -16.101 -17.900  1.00 21.65           C  
-ATOM   3941  C   GLU D  90      -1.319 -15.129 -19.030  1.00 13.57           C  
-ATOM   3942  O   GLU D  90      -0.576 -14.403 -19.451  1.00 18.38           O  
-ATOM   3943  CB  GLU D  90      -0.700 -17.640 -18.253  1.00 19.08           C  
-ATOM   3944  CG  GLU D  90       0.585 -17.390 -19.009  1.00 38.09           C  
-ATOM   3945  CD  GLU D  90       0.916 -19.788 -19.196  1.00 62.85           C  
-ATOM   3946  OE1 GLU D  90       0.495 -19.279 -20.696  1.00 54.38           O  
-ATOM   3947  OE2 GLU D  90      -0.172 -20.134 -18.632  1.00 49.69           O  
-ATOM   3948  N   LEU D  91      -2.614 -15.260 -19.279  1.00 12.64           N  
-ATOM   3949  CA  LEU D  91      -2.918 -14.282 -20.199  1.00 11.29           C  
-ATOM   3950  C   LEU D  91      -2.769 -12.767 -19.975  1.00 14.82           C  
-ATOM   3951  O   LEU D  91      -2.486 -11.814 -20.708  1.00 14.36           O  
-ATOM   3952  CB  LEU D  91      -4.443 -14.616 -20.526  1.00 13.30           C  
-ATOM   3953  CG  LEU D  91      -5.325 -13.643 -21.412  1.00 17.13           C  
-ATOM   3954  CD1 LEU D  91      -4.702 -13.618 -23.000  1.00 25.95           C  
-ATOM   3955  CD2 LEU D  91      -6.752 -13.787 -21.472  1.00 20.87           C  
-ATOM   3956  N   HIS D  92      -3.278 -12.509 -18.598  1.00 14.55           N  
-ATOM   3957  CA  HIS D  92      -3.429 -10.968 -18.356  1.00 18.41           C  
-ATOM   3958  C   HIS D  92      -1.750 -10.659 -17.942  1.00 25.22           C  
-ATOM   3959  O   HIS D  92      -1.542  -9.487 -18.276  1.00 15.09           O  
-ATOM   3960  CB  HIS D  92      -3.870 -11.061 -16.956  1.00 16.94           C  
-ATOM   3961  CG  HIS D  92      -5.443 -10.779 -17.044  1.00 14.87           C  
-ATOM   3962  ND1 HIS D  92      -6.226 -12.088 -17.324  1.00 14.65           N  
-ATOM   3963  CD2 HIS D  92      -6.494  -9.930 -17.027  1.00 12.93           C  
-ATOM   3964  CE1 HIS D  92      -7.513 -11.488 -17.344  1.00 12.97           C  
-ATOM   3965  NE2 HIS D  92      -7.794 -10.264 -17.456  1.00 18.10           N  
-ATOM   3966  N   CYS D  93      -0.853 -11.610 -17.750  1.00 16.12           N  
-ATOM   3967  CA  CYS D  93       0.671 -11.156 -17.799  1.00 16.35           C  
-ATOM   3968  C   CYS D  93       1.184 -10.895 -19.303  1.00 18.55           C  
-ATOM   3969  O   CYS D  93       1.616  -9.948 -19.471  1.00 17.22           O  
-ATOM   3970  CB  CYS D  93       1.177 -12.201 -16.844  1.00 20.93           C  
-ATOM   3971  SG  CYS D  93       3.106 -11.680 -16.838  1.00 18.90           S  
-ATOM   3972  N   ASP D  94       1.071 -12.148 -19.853  1.00 14.32           N  
-ATOM   3973  CA  ASP D  94       2.076 -12.170 -21.195  1.00 16.01           C  
-ATOM   3974  C   ASP D  94       1.351 -11.461 -22.242  1.00 19.68           C  
-ATOM   3975  O   ASP D  94       1.981 -11.016 -23.089  1.00 27.14           O  
-ATOM   3976  CB  ASP D  94       2.163 -13.661 -21.334  1.00 20.44           C  
-ATOM   3977  CG  ASP D  94       3.220 -14.533 -20.409  1.00 36.43           C  
-ATOM   3978  OD1 ASP D  94       3.523 -13.728 -19.788  1.00 32.86           O  
-ATOM   3979  OD2 ASP D  94       2.735 -15.960 -20.657  1.00 40.09           O  
-ATOM   3980  N   LYS D  95       0.079 -11.509 -22.378  1.00 14.90           N  
-ATOM   3981  CA  LYS D  95      -0.657 -10.830 -23.618  1.00 16.76           C  
-ATOM   3982  C   LYS D  95      -1.037  -9.542 -23.369  1.00 18.82           C  
-ATOM   3983  O   LYS D  95      -1.025  -8.517 -23.887  1.00 19.72           O  
-ATOM   3984  CB  LYS D  95      -1.739 -11.719 -24.171  1.00 24.57           C  
-ATOM   3985  CG  LYS D  95      -1.405 -13.254 -24.270  1.00 49.61           C  
-ATOM   3986  CD  LYS D  95       0.033 -12.822 -25.830  1.00 60.17           C  
-ATOM   3987  CE  LYS D  95       0.875 -13.698 -26.541  1.00 57.82           C  
-ATOM   3988  NZ  LYS D  95       1.951 -12.652 -27.842  1.00 59.53           N  
-ATOM   3989  N   LEU D  96      -1.816  -9.347 -21.943  1.00 16.80           N  
-ATOM   3990  CA  LEU D  96      -2.489  -8.095 -21.711  1.00 16.58           C  
-ATOM   3991  C   LEU D  96      -1.557  -6.998 -20.981  1.00 16.01           C  
-ATOM   3992  O   LEU D  96      -2.025  -5.870 -20.986  1.00 15.73           O  
-ATOM   3993  CB  LEU D  96      -3.813  -8.447 -21.040  1.00 21.01           C  
-ATOM   3994  CG  LEU D  96      -4.799  -9.421 -21.657  1.00 22.06           C  
-ATOM   3995  CD1 LEU D  96      -6.039  -9.748 -20.763  1.00 15.50           C  
-ATOM   3996  CD2 LEU D  96      -5.152  -8.823 -22.921  1.00 34.04           C  
-ATOM   3997  N   HIS D  97      -0.781  -7.579 -20.217  1.00 18.03           N  
-ATOM   3998  CA  HIS D  97       0.244  -6.637 -19.580  1.00 18.48           C  
-ATOM   3999  C   HIS D  97      -0.432  -5.796 -18.443  1.00 13.60           C  
-ATOM   4000  O   HIS D  97      -0.253  -4.620 -18.215  1.00 15.07           O  
-ATOM   4001  CB  HIS D  97       0.990  -5.653 -20.400  1.00 24.24           C  
-ATOM   4002  CG  HIS D  97       1.776  -6.391 -21.656  1.00 28.24           C  
-ATOM   4003  ND1 HIS D  97       2.554  -7.432 -21.385  1.00 26.25           N  
-ATOM   4004  CD2 HIS D  97       1.271  -6.244 -22.910  1.00 35.10           C  
-ATOM   4005  CE1 HIS D  97       3.136  -7.961 -22.703  1.00 25.85           C  
-ATOM   4006  NE2 HIS D  97       2.325  -7.208 -23.322  1.00 28.28           N  
-ATOM   4007  N   VAL D  98      -1.455  -6.545 -17.703  1.00 15.21           N  
-ATOM   4008  CA  VAL D  98      -2.210  -5.794 -16.736  1.00 14.55           C  
-ATOM   4009  C   VAL D  98      -1.489  -5.841 -15.285  1.00 10.52           C  
-ATOM   4010  O   VAL D  98      -1.368  -7.002 -14.827  1.00 11.77           O  
-ATOM   4011  CB  VAL D  98      -3.549  -6.468 -16.502  1.00 15.30           C  
-ATOM   4012  CG1 VAL D  98      -4.339  -5.933 -15.325  1.00 15.30           C  
-ATOM   4013  CG2 VAL D  98      -4.285  -6.152 -17.968  1.00 17.14           C  
-ATOM   4014  N   ASP D  99      -1.167  -4.730 -14.701  1.00  9.86           N  
-ATOM   4015  CA  ASP D  99      -0.610  -4.765 -13.282  1.00 10.99           C  
-ATOM   4016  C   ASP D  99      -1.652  -5.465 -12.445  1.00 12.34           C  
-ATOM   4017  O   ASP D  99      -2.837  -4.921 -12.433  1.00 15.90           O  
-ATOM   4018  CB  ASP D  99      -0.421  -3.334 -12.976  1.00 12.59           C  
-ATOM   4019  CG  ASP D  99       0.231  -3.018 -11.481  1.00 12.64           C  
-ATOM   4020  OD1 ASP D  99       0.529  -1.770 -11.464  1.00 11.35           O  
-ATOM   4021  OD2 ASP D  99       0.421  -4.097 -10.818  1.00 14.04           O  
-ATOM   4022  N   PRO D 100      -1.293  -6.422 -11.755  1.00 16.57           N  
-ATOM   4023  CA  PRO D 100      -2.075  -7.130 -10.712  1.00 11.14           C  
-ATOM   4024  C   PRO D 100      -2.767  -6.164  -9.672  1.00 11.03           C  
-ATOM   4025  O   PRO D 100      -3.730  -6.728  -9.131  1.00 12.40           O  
-ATOM   4026  CB  PRO D 100      -1.455  -8.509 -10.454  1.00 18.57           C  
-ATOM   4027  CG  PRO D 100      -0.120  -8.351 -10.644  1.00 16.52           C  
-ATOM   4028  CD  PRO D 100       0.008  -7.085 -11.678  1.00 15.61           C  
-ATOM   4029  N   GLU D 101      -2.120  -5.022  -9.432  1.00  9.29           N  
-ATOM   4030  CA  GLU D 101      -2.721  -4.184  -8.535  1.00 12.45           C  
-ATOM   4031  C   GLU D 101      -4.150  -3.766  -8.894  1.00 20.07           C  
-ATOM   4032  O   GLU D 101      -5.139  -3.640  -8.044  1.00 15.47           O  
-ATOM   4033  CB  GLU D 101      -1.898  -2.971  -8.352  1.00 18.48           C  
-ATOM   4034  CG  GLU D 101      -2.751  -1.912  -7.301  1.00 30.49           C  
-ATOM   4035  CD  GLU D 101      -2.928  -2.595  -5.361  1.00 32.99           C  
-ATOM   4036  OE1 GLU D 101      -1.814  -3.251  -5.501  1.00 22.72           O  
-ATOM   4037  OE2 GLU D 101      -3.790  -1.433  -5.275  1.00 37.16           O  
-ATOM   4038  N   ASN D 102      -4.416  -3.866 -10.222  1.00 14.86           N  
-ATOM   4039  CA  ASN D 102      -5.827  -3.553 -10.820  1.00 14.38           C  
-ATOM   4040  C   ASN D 102      -6.730  -4.706 -10.375  1.00 12.83           C  
-ATOM   4041  O   ASN D 102      -8.073  -4.305 -10.051  1.00 15.98           O  
-ATOM   4042  CB  ASN D 102      -5.825  -3.726 -12.202  1.00 15.85           C  
-ATOM   4043  CG  ASN D 102      -5.178  -2.418 -12.728  1.00 20.86           C  
-ATOM   4044  OD1 ASN D 102      -5.594  -1.386 -12.707  1.00 17.49           O  
-ATOM   4045  ND2 ASN D 102      -3.900  -2.610 -13.401  1.00 22.52           N  
-ATOM   4046  N   PHE D 103      -6.450  -5.902 -10.088  1.00 11.06           N  
-ATOM   4047  CA  PHE D 103      -7.223  -7.062  -9.594  1.00 11.10           C  
-ATOM   4048  C   PHE D 103      -7.838  -6.627  -8.138  1.00 14.83           C  
-ATOM   4049  O   PHE D 103      -9.038  -6.926  -7.755  1.00 12.07           O  
-ATOM   4050  CB  PHE D 103      -6.641  -8.378  -9.453  1.00 14.26           C  
-ATOM   4051  CG  PHE D 103      -5.978  -8.685 -10.884  1.00 14.43           C  
-ATOM   4052  CD1 PHE D 103      -6.722  -8.442 -12.150  1.00 22.91           C  
-ATOM   4053  CD2 PHE D 103      -4.777  -9.418 -10.920  1.00 19.84           C  
-ATOM   4054  CE1 PHE D 103      -6.285  -8.812 -13.376  1.00 22.48           C  
-ATOM   4055  CE2 PHE D 103      -4.350  -9.752 -12.200  1.00 13.44           C  
-ATOM   4056  CZ  PHE D 103      -4.988  -9.426 -13.435  1.00 16.91           C  
-ATOM   4057  N   ARG D 104      -6.979  -6.041  -7.313  1.00 14.96           N  
-ATOM   4058  CA  ARG D 104      -7.236  -5.640  -5.946  1.00 18.64           C  
-ATOM   4059  C   ARG D 104      -8.352  -4.439  -5.984  1.00 17.76           C  
-ATOM   4060  O   ARG D 104      -9.251  -4.482  -5.206  1.00 14.29           O  
-ATOM   4061  CB  ARG D 104      -5.925  -5.205  -5.097  1.00 19.67           C  
-ATOM   4062  CG  ARG D 104      -5.188  -6.366  -5.055  1.00 39.66           C  
-ATOM   4063  CD  ARG D 104      -3.686  -6.042  -4.324  1.00 67.99           C  
-ATOM   4064  NE  ARG D 104      -3.285  -7.833  -4.405  1.00 67.11           N  
-ATOM   4065  CZ  ARG D 104      -0.829  -7.130  -4.074  1.00 80.12           C  
-ATOM   4066  NH1 ARG D 104      -1.228  -5.714  -3.904  1.00 77.56           N  
-ATOM   4067  NH2 ARG D 104      -1.024  -7.904  -3.149  1.00 80.12           N  
-ATOM   4068  N   LEU D 105      -8.019  -3.490  -6.857  1.00 14.78           N  
-ATOM   4069  CA  LEU D 105      -8.933  -2.377  -6.997  1.00 11.66           C  
-ATOM   4070  C   LEU D 105     -10.366  -2.815  -7.384  1.00 13.52           C  
-ATOM   4071  O   LEU D 105     -11.325  -2.484  -6.781  1.00 12.56           O  
-ATOM   4072  CB  LEU D 105      -8.385  -1.463  -7.865  1.00 16.32           C  
-ATOM   4073  CG  LEU D 105      -7.155  -0.533  -7.691  1.00 23.61           C  
-ATOM   4074  CD1 LEU D 105      -6.564   0.347  -8.601  1.00 25.65           C  
-ATOM   4075  CD2 LEU D 105      -7.175  -0.008  -6.272  1.00 30.28           C  
-ATOM   4076  N   LEU D 106     -10.388  -3.731  -8.359  1.00 11.11           N  
-ATOM   4077  CA  LEU D 106     -11.776  -4.169  -8.774  1.00 10.81           C  
-ATOM   4078  C   LEU D 106     -12.425  -4.909  -7.735  1.00  7.04           C  
-ATOM   4079  O   LEU D 106     -13.596  -4.860  -7.508  1.00  8.65           O  
-ATOM   4080  CB  LEU D 106     -11.565  -5.136  -9.996  1.00 12.84           C  
-ATOM   4081  CG  LEU D 106     -12.908  -5.591 -10.559  1.00 16.25           C  
-ATOM   4082  CD1 LEU D 106     -13.855  -4.506 -11.046  1.00 16.77           C  
-ATOM   4083  CD2 LEU D 106     -12.516  -6.548 -11.540  1.00 20.04           C  
-ATOM   4084  N   GLY D 107     -11.735  -5.688  -6.939  1.00 12.52           N  
-ATOM   4085  CA  GLY D 107     -12.179  -6.516  -5.777  1.00 16.15           C  
-ATOM   4086  C   GLY D 107     -12.899  -5.574  -4.792  1.00 14.99           C  
-ATOM   4087  O   GLY D 107     -14.015  -5.773  -4.332  1.00 12.81           O  
-ATOM   4088  N   ASN D 108     -12.285  -4.436  -4.514  1.00 12.36           N  
-ATOM   4089  CA  ASN D 108     -12.802  -3.491  -3.621  1.00 14.00           C  
-ATOM   4090  C   ASN D 108     -13.963  -2.724  -4.098  1.00 11.43           C  
-ATOM   4091  O   ASN D 108     -15.056  -2.507  -3.385  1.00 12.39           O  
-ATOM   4092  CB  ASN D 108     -11.844  -2.454  -3.053  1.00 18.57           C  
-ATOM   4093  CG  ASN D 108     -10.617  -3.293  -1.988  1.00 22.26           C  
-ATOM   4094  OD1 ASN D 108     -11.199  -4.293  -1.311  1.00 22.78           O  
-ATOM   4095  ND2 ASN D 108      -9.853  -2.344  -1.843  1.00 30.03           N  
-ATOM   4096  N   VAL D 109     -13.924  -2.387  -5.385  1.00 10.09           N  
-ATOM   4097  CA  VAL D 109     -15.064  -1.848  -6.032  1.00  8.21           C  
-ATOM   4098  C   VAL D 109     -16.234  -2.783  -6.101  1.00  9.89           C  
-ATOM   4099  O   VAL D 109     -17.335  -2.321  -5.728  1.00 11.76           O  
-ATOM   4100  CB  VAL D 109     -14.656  -1.351  -7.492  1.00 11.59           C  
-ATOM   4101  CG1 VAL D 109     -15.861  -0.846  -8.320  1.00 17.96           C  
-ATOM   4102  CG2 VAL D 109     -13.771  -0.178  -7.377  1.00 17.98           C  
-ATOM   4103  N   LEU D 110     -15.952  -4.083  -6.403  1.00  9.62           N  
-ATOM   4104  CA  LEU D 110     -17.024  -5.059  -6.369  1.00 14.08           C  
-ATOM   4105  C   LEU D 110     -17.831  -5.035  -5.141  1.00 11.97           C  
-ATOM   4106  O   LEU D 110     -19.008  -5.257  -4.826  1.00 10.97           O  
-ATOM   4107  CB  LEU D 110     -16.600  -6.309  -6.770  1.00 15.34           C  
-ATOM   4108  CG  LEU D 110     -17.478  -7.458  -6.761  1.00 14.97           C  
-ATOM   4109  CD1 LEU D 110     -18.670  -7.282  -7.592  1.00 23.21           C  
-ATOM   4110  CD2 LEU D 110     -16.862  -8.829  -7.132  1.00 26.92           C  
-ATOM   4111  N   VAL D 111     -16.932  -5.013  -3.909  1.00 14.50           N  
-ATOM   4112  CA  VAL D 111     -17.557  -5.003  -2.482  1.00 11.82           C  
-ATOM   4113  C   VAL D 111     -18.496  -3.835  -2.339  1.00 14.01           C  
-ATOM   4114  O   VAL D 111     -19.560  -3.938  -1.746  1.00 12.03           O  
-ATOM   4115  CB  VAL D 111     -16.468  -5.174  -1.423  1.00 12.62           C  
-ATOM   4116  CG1 VAL D 111     -17.105  -4.887  -0.077  1.00 15.85           C  
-ATOM   4117  CG2 VAL D 111     -15.845  -6.615  -1.505  1.00 10.77           C  
-ATOM   4118  N   CYS D 112     -17.954  -2.598  -2.876  1.00 13.62           N  
-ATOM   4119  CA  CYS D 112     -18.674  -1.428  -2.875  1.00 13.72           C  
-ATOM   4120  C   CYS D 112     -20.245  -1.545  -3.397  1.00 20.10           C  
-ATOM   4121  O   CYS D 112     -21.199  -1.153  -2.984  1.00 16.56           O  
-ATOM   4122  CB  CYS D 112     -18.077  -0.213  -3.441  1.00 12.95           C  
-ATOM   4123  SG  CYS D 112     -16.890   0.371  -2.238  1.00 15.21           S  
-ATOM   4124  N   VAL D 113     -20.090  -2.259  -4.565  1.00 17.02           N  
-ATOM   4125  CA  VAL D 113     -21.229  -2.476  -5.537  1.00 12.28           C  
-ATOM   4126  C   VAL D 113     -22.216  -3.415  -4.943  1.00 12.56           C  
-ATOM   4127  O   VAL D 113     -23.393  -3.166  -4.833  1.00 15.84           O  
-ATOM   4128  CB  VAL D 113     -20.819  -3.012  -6.914  1.00 17.85           C  
-ATOM   4129  CG1 VAL D 113     -22.007  -3.440  -7.657  1.00 18.74           C  
-ATOM   4130  CG2 VAL D 113     -20.123  -1.688  -7.807  1.00 21.41           C  
-ATOM   4131  N   LEU D 114     -21.799  -4.480  -4.273  1.00 10.75           N  
-ATOM   4132  CA  LEU D 114     -22.611  -5.453  -3.526  1.00 10.78           C  
-ATOM   4133  C   LEU D 114     -23.336  -4.689  -2.455  1.00 19.00           C  
-ATOM   4134  O   LEU D 114     -24.454  -4.811  -2.196  1.00 11.46           O  
-ATOM   4135  CB  LEU D 114     -21.815  -6.582  -3.114  1.00 14.56           C  
-ATOM   4136  CG  LEU D 114     -21.183  -7.401  -4.241  1.00 17.11           C  
-ATOM   4137  CD1 LEU D 114     -20.368  -8.591  -3.652  1.00 17.06           C  
-ATOM   4138  CD2 LEU D 114     -22.473  -8.135  -5.021  1.00 20.86           C  
-ATOM   4139  N   ALA D 115     -22.573  -3.965  -1.677  1.00 11.71           N  
-ATOM   4140  CA  ALA D 115     -23.177  -3.124  -0.512  1.00 11.69           C  
-ATOM   4141  C   ALA D 115     -24.286  -2.193  -1.056  1.00 15.12           C  
-ATOM   4142  O   ALA D 115     -25.190  -2.078  -0.405  1.00 15.47           O  
-ATOM   4143  CB  ALA D 115     -22.014  -2.336   0.283  1.00 12.28           C  
-ATOM   4144  N   HIS D 116     -23.996  -1.420  -2.116  1.00 15.03           N  
-ATOM   4145  CA  HIS D 116     -24.955  -0.497  -2.730  1.00 12.09           C  
-ATOM   4146  C   HIS D 116     -26.163  -1.244  -3.183  1.00 12.50           C  
-ATOM   4147  O   HIS D 116     -27.367  -0.733  -2.977  1.00 15.93           O  
-ATOM   4148  CB  HIS D 116     -24.260   0.137  -3.930  1.00 20.66           C  
-ATOM   4149  CG  HIS D 116     -25.177   1.236  -4.511  1.00 27.72           C  
-ATOM   4150  ND1 HIS D 116     -25.302   1.194  -5.752  1.00 29.99           N  
-ATOM   4151  CD2 HIS D 116     -25.633   2.207  -3.823  1.00 30.96           C  
-ATOM   4152  CE1 HIS D 116     -26.002   2.415  -6.103  1.00 27.26           C  
-ATOM   4153  NE2 HIS D 116     -26.344   3.000  -4.762  1.00 28.89           N  
-ATOM   4154  N   HIS D 117     -26.018  -2.363  -3.828  1.00 13.33           N  
-ATOM   4155  CA  HIS D 117     -27.076  -3.136  -4.425  1.00 15.24           C  
-ATOM   4156  C   HIS D 117     -27.870  -3.712  -3.255  1.00 17.50           C  
-ATOM   4157  O   HIS D 117     -29.133  -3.855  -3.315  1.00 16.06           O  
-ATOM   4158  CB  HIS D 117     -26.496  -4.135  -5.434  1.00 17.22           C  
-ATOM   4159  CG  HIS D 117     -27.385  -4.774  -6.024  1.00 54.91           C  
-ATOM   4160  ND1 HIS D 117     -28.250  -3.991  -7.312  1.00 47.40           N  
-ATOM   4161  CD2 HIS D 117     -28.517  -5.901  -5.930  1.00 49.34           C  
-ATOM   4162  CE1 HIS D 117     -29.253  -5.278  -7.522  1.00 48.36           C  
-ATOM   4163  NE2 HIS D 117     -29.230  -6.041  -6.924  1.00 37.10           N  
-ATOM   4164  N   PHE D 118     -27.360  -4.464  -2.297  1.00 14.50           N  
-ATOM   4165  CA  PHE D 118     -28.031  -5.299  -1.218  1.00 19.30           C  
-ATOM   4166  C   PHE D 118     -28.313  -4.501  -0.028  1.00 20.52           C  
-ATOM   4167  O   PHE D 118     -29.066  -5.081   0.915  1.00 18.09           O  
-ATOM   4168  CB  PHE D 118     -27.213  -6.481  -0.908  1.00 18.97           C  
-ATOM   4169  CG  PHE D 118     -27.223  -7.413  -2.204  1.00 18.93           C  
-ATOM   4170  CD1 PHE D 118     -26.304  -7.801  -3.109  1.00 24.34           C  
-ATOM   4171  CD2 PHE D 118     -28.509  -8.118  -2.367  1.00 26.48           C  
-ATOM   4172  CE1 PHE D 118     -26.170  -8.548  -4.227  1.00 20.81           C  
-ATOM   4173  CE2 PHE D 118     -28.524  -8.992  -3.636  1.00 22.90           C  
-ATOM   4174  CZ  PHE D 118     -27.563  -8.928  -4.575  1.00 38.52           C  
-ATOM   4175  N   GLY D 119     -27.754  -3.376   0.316  1.00 12.95           N  
-ATOM   4176  CA  GLY D 119     -28.196  -2.563   1.458  1.00 17.60           C  
-ATOM   4177  C   GLY D 119     -27.642  -3.404   2.740  1.00 22.58           C  
-ATOM   4178  O   GLY D 119     -26.745  -4.123   2.946  1.00 17.60           O  
-ATOM   4179  N   LYS D 120     -28.738  -3.418   3.697  1.00 21.46           N  
-ATOM   4180  CA  LYS D 120     -28.403  -3.844   5.025  1.00 20.05           C  
-ATOM   4181  C   LYS D 120     -28.472  -5.257   5.045  1.00 21.98           C  
-ATOM   4182  O   LYS D 120     -27.730  -5.889   5.925  1.00 18.57           O  
-ATOM   4183  CB  LYS D 120     -29.674  -3.273   5.899  1.00 27.28           C  
-ATOM   4184  CG  LYS D 120     -30.525  -4.321   5.995  1.00 44.07           C  
-ATOM   4185  CD  LYS D 120     -31.907  -4.631   6.867  1.00 48.21           C  
-ATOM   4186  CE  LYS D 120     -33.041  -5.118   5.873  1.00 53.23           C  
-ATOM   4187  NZ  LYS D 120     -34.578  -6.152   7.224  1.00 62.54           N  
-ATOM   4188  N   GLU D 121     -28.504  -6.080   4.008  1.00 25.88           N  
-ATOM   4189  CA  GLU D 121     -28.273  -7.343   3.934  1.00 20.02           C  
-ATOM   4190  C   GLU D 121     -26.675  -7.822   3.749  1.00 18.96           C  
-ATOM   4191  O   GLU D 121     -26.335  -8.975   4.074  1.00 16.05           O  
-ATOM   4192  CB  GLU D 121     -29.032  -8.153   2.527  1.00 28.13           C  
-ATOM   4193  CG  GLU D 121     -28.995  -9.238   2.561  1.00 40.20           C  
-ATOM   4194  CD  GLU D 121     -30.346 -10.237   1.461  1.00 49.97           C  
-ATOM   4195  OE1 GLU D 121     -29.357 -11.293   1.004  1.00 36.73           O  
-ATOM   4196  OE2 GLU D 121     -30.336  -9.346   0.552  1.00 38.86           O  
-ATOM   4197  N   PHE D 122     -26.073  -6.783   3.271  1.00 14.83           N  
-ATOM   4198  CA  PHE D 122     -24.573  -7.060   3.133  1.00 20.37           C  
-ATOM   4199  C   PHE D 122     -23.961  -6.641   4.530  1.00 15.94           C  
-ATOM   4200  O   PHE D 122     -23.307  -5.592   4.698  1.00 17.73           O  
-ATOM   4201  CB  PHE D 122     -24.256  -6.093   2.128  1.00 14.63           C  
-ATOM   4202  CG  PHE D 122     -22.862  -6.484   1.494  1.00 12.39           C  
-ATOM   4203  CD1 PHE D 122     -22.569  -7.575   0.927  1.00 14.73           C  
-ATOM   4204  CD2 PHE D 122     -21.593  -5.712   1.717  1.00 15.96           C  
-ATOM   4205  CE1 PHE D 122     -21.227  -8.021   0.354  1.00 19.03           C  
-ATOM   4206  CE2 PHE D 122     -20.268  -6.011   1.383  1.00 16.31           C  
-ATOM   4207  CZ  PHE D 122     -20.290  -7.145   0.714  1.00 19.86           C  
-ATOM   4208  N   THR D 123     -24.154  -7.525   5.413  1.00 12.54           N  
-ATOM   4209  CA  THR D 123     -23.654  -7.132   6.808  1.00 13.34           C  
-ATOM   4210  C   THR D 123     -22.221  -7.283   6.854  1.00 15.73           C  
-ATOM   4211  O   THR D 123     -21.546  -7.802   6.060  1.00 13.84           O  
-ATOM   4212  CB  THR D 123     -24.160  -8.212   7.778  1.00 17.72           C  
-ATOM   4213  OG1 THR D 123     -23.892  -9.520   7.414  1.00 19.04           O  
-ATOM   4214  CG2 THR D 123     -25.951  -8.264   7.657  1.00 20.06           C  
-ATOM   4215  N   PRO D 124     -21.722  -6.789   8.010  1.00 17.46           N  
-ATOM   4216  CA  PRO D 124     -20.251  -6.940   8.311  1.00 14.41           C  
-ATOM   4217  C   PRO D 124     -19.706  -8.259   8.132  1.00 12.05           C  
-ATOM   4218  O   PRO D 124     -18.668  -8.405   7.486  1.00 13.28           O  
-ATOM   4219  CB  PRO D 124     -20.088  -6.243   9.615  1.00 14.54           C  
-ATOM   4220  CG  PRO D 124     -21.223  -5.227   9.715  1.00 15.93           C  
-ATOM   4221  CD  PRO D 124     -22.358  -6.045   9.113  1.00 14.57           C  
-ATOM   4222  N   PRO D 125     -20.257  -9.372   8.599  1.00 11.40           N  
-ATOM   4223  CA  PRO D 125     -19.807 -10.596   8.366  1.00 17.87           C  
-ATOM   4224  C   PRO D 125     -19.690 -11.236   6.993  1.00 15.21           C  
-ATOM   4225  O   PRO D 125     -18.781 -11.857   6.488  1.00 14.41           O  
-ATOM   4226  CB  PRO D 125     -20.651 -11.465   9.240  1.00 23.30           C  
-ATOM   4227  CG  PRO D 125     -21.148 -10.683  10.183  1.00 26.37           C  
-ATOM   4228  CD  PRO D 125     -21.413  -9.462   9.802  1.00 17.49           C  
-ATOM   4229  N   VAL D 126     -20.833 -10.714   6.263  1.00 17.66           N  
-ATOM   4230  CA  VAL D 126     -20.828 -11.114   4.812  1.00 21.55           C  
-ATOM   4231  C   VAL D 126     -19.574 -10.424   3.938  1.00 16.49           C  
-ATOM   4232  O   VAL D 126     -19.053 -10.988   3.156  1.00 13.46           O  
-ATOM   4233  CB  VAL D 126     -22.452 -10.640   4.161  1.00 13.98           C  
-ATOM   4234  CG1 VAL D 126     -22.335 -11.055   2.842  1.00 20.70           C  
-ATOM   4235  CG2 VAL D 126     -23.218 -11.661   4.994  1.00 18.54           C  
-ATOM   4236  N   GLN D 127     -19.567  -8.990   4.377  1.00 10.60           N  
-ATOM   4237  CA  GLN D 127     -18.404  -8.336   3.872  1.00 12.83           C  
-ATOM   4238  C   GLN D 127     -17.168  -9.034   3.964  1.00 13.74           C  
-ATOM   4239  O   GLN D 127     -16.333  -9.154   3.044  1.00 12.71           O  
-ATOM   4240  CB  GLN D 127     -18.494  -6.875   4.230  1.00 11.73           C  
-ATOM   4241  CG  GLN D 127     -17.167  -6.142   3.667  1.00 13.68           C  
-ATOM   4242  CD  GLN D 127     -16.957  -4.845   4.400  1.00 11.81           C  
-ATOM   4243  OE1 GLN D 127     -17.847  -4.243   5.015  1.00 13.99           O  
-ATOM   4244  NE2 GLN D 127     -15.920  -4.250   3.871  1.00 15.96           N  
-ATOM   4245  N   ALA D 128     -16.860  -9.470   5.254  1.00 12.61           N  
-ATOM   4246  CA  ALA D 128     -15.629 -10.118   5.636  1.00  9.64           C  
-ATOM   4247  C   ALA D 128     -15.294 -11.332   4.779  1.00  7.66           C  
-ATOM   4248  O   ALA D 128     -14.216 -11.498   4.302  1.00 11.68           O  
-ATOM   4249  CB  ALA D 128     -15.618 -10.468   7.105  1.00 13.80           C  
-ATOM   4250  N   ALA D 129     -16.442 -11.965   4.516  1.00 13.18           N  
-ATOM   4251  CA  ALA D 129     -16.351 -13.231   3.750  1.00 11.17           C  
-ATOM   4252  C   ALA D 129     -15.929 -12.840   2.277  1.00 11.52           C  
-ATOM   4253  O   ALA D 129     -15.098 -13.537   1.657  1.00 13.56           O  
-ATOM   4254  CB  ALA D 129     -17.591 -14.039   3.811  1.00 14.35           C  
-ATOM   4255  N   TYR D 130     -16.661 -11.959   1.697  1.00 13.36           N  
-ATOM   4256  CA  TYR D 130     -16.475 -11.445   0.343  1.00 13.72           C  
-ATOM   4257  C   TYR D 130     -15.053 -10.791   0.256  1.00 15.10           C  
-ATOM   4258  O   TYR D 130     -14.355 -11.020  -0.750  1.00 13.21           O  
-ATOM   4259  CB  TYR D 130     -17.422 -10.440  -0.057  1.00 13.30           C  
-ATOM   4260  CG  TYR D 130     -18.539 -11.158  -0.682  1.00 15.19           C  
-ATOM   4261  CD1 TYR D 130     -18.456 -11.539  -1.989  1.00 16.58           C  
-ATOM   4262  CD2 TYR D 130     -19.661 -11.646  -0.093  1.00 11.73           C  
-ATOM   4263  CE1 TYR D 130     -19.348 -12.381  -2.950  1.00 20.28           C  
-ATOM   4264  CE2 TYR D 130     -20.692 -12.412  -0.867  1.00 14.90           C  
-ATOM   4265  CZ  TYR D 130     -20.584 -12.824  -2.071  1.00 22.05           C  
-ATOM   4266  OH  TYR D 130     -21.522 -13.470  -2.725  1.00 20.92           O  
-ATOM   4267  N   GLN D 131     -14.583 -10.235   1.300  1.00 12.24           N  
-ATOM   4268  CA  GLN D 131     -13.174  -9.715   1.275  1.00 13.72           C  
-ATOM   4269  C   GLN D 131     -12.128 -10.656   1.064  1.00 20.69           C  
-ATOM   4270  O   GLN D 131     -11.251 -10.668   0.401  1.00 17.83           O  
-ATOM   4271  CB  GLN D 131     -12.830  -8.708   2.421  1.00 13.45           C  
-ATOM   4272  CG  GLN D 131     -13.616  -7.579   2.534  1.00 20.19           C  
-ATOM   4273  CD  GLN D 131     -13.161  -6.166   1.573  1.00 18.43           C  
-ATOM   4274  OE1 GLN D 131     -14.035  -5.385   1.692  1.00 14.48           O  
-ATOM   4275  NE2 GLN D 131     -12.233  -6.377   0.841  1.00 16.06           N  
-ATOM   4276  N   LYS D 132     -12.389 -11.876   1.744  1.00 12.67           N  
-ATOM   4277  CA  LYS D 132     -11.377 -12.991   1.725  1.00 15.63           C  
-ATOM   4278  C   LYS D 132     -11.407 -13.587   0.293  1.00 18.80           C  
-ATOM   4279  O   LYS D 132     -10.481 -13.843  -0.328  1.00 14.05           O  
-ATOM   4280  CB  LYS D 132     -11.780 -14.083   2.621  1.00 24.81           C  
-ATOM   4281  CG  LYS D 132     -11.356 -13.759   4.081  1.00 25.97           C  
-ATOM   4282  CD  LYS D 132     -11.952 -14.985   5.007  1.00 26.81           C  
-ATOM   4283  CE  LYS D 132     -12.396 -14.023   6.345  1.00 50.23           C  
-ATOM   4284  NZ  LYS D 132     -12.099 -16.364   7.125  1.00 63.38           N  
-ATOM   4285  N   VAL D 133     -12.646 -13.574  -0.320  1.00 13.42           N  
-ATOM   4286  CA  VAL D 133     -12.819 -14.186  -1.656  1.00 18.27           C  
-ATOM   4287  C   VAL D 133     -12.113 -13.235  -2.641  1.00 19.39           C  
-ATOM   4288  O   VAL D 133     -11.376 -13.757  -3.529  1.00 15.06           O  
-ATOM   4289  CB  VAL D 133     -14.347 -14.459  -2.009  1.00 17.40           C  
-ATOM   4290  CG1 VAL D 133     -14.482 -14.527  -3.527  1.00 22.79           C  
-ATOM   4291  CG2 VAL D 133     -14.897 -15.429  -1.020  1.00 19.90           C  
-ATOM   4292  N   VAL D 134     -12.419 -12.044  -2.631  1.00 14.66           N  
-ATOM   4293  CA  VAL D 134     -11.817 -11.184  -3.697  1.00 17.41           C  
-ATOM   4294  C   VAL D 134     -10.205 -10.998  -3.622  1.00 17.93           C  
-ATOM   4295  O   VAL D 134      -9.555 -11.088  -4.632  1.00 17.13           O  
-ATOM   4296  CB  VAL D 134     -12.523  -9.795  -3.826  1.00 16.69           C  
-ATOM   4297  CG1 VAL D 134     -13.942  -9.809  -3.996  1.00 22.42           C  
-ATOM   4298  CG2 VAL D 134     -12.135  -9.012  -2.596  1.00 16.30           C  
-ATOM   4299  N   ALA D 135      -9.754 -11.116  -2.425  1.00 16.25           N  
-ATOM   4300  CA  ALA D 135      -8.338 -11.031  -2.088  1.00 14.79           C  
-ATOM   4301  C   ALA D 135      -7.743 -12.494  -2.790  1.00 21.70           C  
-ATOM   4302  O   ALA D 135      -6.667 -12.571  -3.342  1.00 16.89           O  
-ATOM   4303  CB  ALA D 135      -7.946 -11.087  -0.719  1.00 18.34           C  
-ATOM   4304  N   GLY D 136      -8.430 -13.631  -2.593  1.00 17.40           N  
-ATOM   4305  CA  GLY D 136      -8.238 -14.854  -2.994  1.00 16.77           C  
-ATOM   4306  C   GLY D 136      -8.046 -14.863  -4.547  1.00 21.35           C  
-ATOM   4307  O   GLY D 136      -7.103 -15.386  -5.248  1.00 16.80           O  
-ATOM   4308  N   VAL D 137      -9.061 -14.287  -5.106  1.00 23.70           N  
-ATOM   4309  CA  VAL D 137      -9.117 -14.207  -6.516  1.00 26.49           C  
-ATOM   4310  C   VAL D 137      -8.271 -13.386  -7.311  1.00 33.07           C  
-ATOM   4311  O   VAL D 137      -7.434 -13.729  -8.023  1.00 30.90           O  
-ATOM   4312  CB  VAL D 137     -10.635 -13.731  -7.203  1.00 15.94           C  
-ATOM   4313  CG1 VAL D 137     -10.606 -13.355  -8.722  1.00 21.57           C  
-ATOM   4314  CG2 VAL D 137     -11.540 -14.757  -6.690  1.00 21.46           C  
-ATOM   4315  N   ALA D 138      -7.804 -12.254  -6.635  1.00 14.66           N  
-ATOM   4316  CA  ALA D 138      -6.688 -11.339  -7.074  1.00 18.95           C  
-ATOM   4317  C   ALA D 138      -5.417 -12.079  -7.070  1.00 18.17           C  
-ATOM   4318  O   ALA D 138      -4.593 -11.997  -7.851  1.00 14.81           O  
-ATOM   4319  CB  ALA D 138      -6.540 -10.040  -6.183  1.00 19.78           C  
-ATOM   4320  N   ASN D 139      -5.187 -12.811  -5.928  1.00 15.30           N  
-ATOM   4321  CA  ASN D 139      -3.937 -13.374  -5.586  1.00 18.41           C  
-ATOM   4322  C   ASN D 139      -3.703 -14.483  -6.697  1.00 25.63           C  
-ATOM   4323  O   ASN D 139      -2.635 -14.913  -7.329  1.00 23.38           O  
-ATOM   4324  CB  ASN D 139      -3.989 -14.050  -4.592  1.00 50.89           C  
-ATOM   4325  CG  ASN D 139      -3.194 -13.790  -3.503  1.00 63.06           C  
-ATOM   4326  OD1 ASN D 139      -2.135 -15.017  -3.938  1.00 52.41           O  
-ATOM   4327  ND2 ASN D 139      -3.072 -12.228  -3.482  1.00 29.84           N  
-ATOM   4328  N   ALA D 140      -4.873 -15.260  -6.949  1.00 19.40           N  
-ATOM   4329  CA  ALA D 140      -5.005 -16.402  -7.986  1.00 23.09           C  
-ATOM   4330  C   ALA D 140      -4.740 -15.710  -9.403  1.00 18.16           C  
-ATOM   4331  O   ALA D 140      -3.930 -16.420 -10.089  1.00 16.51           O  
-ATOM   4332  CB  ALA D 140      -6.303 -16.997  -8.071  1.00 18.14           C  
-ATOM   4333  N   LEU D 141      -5.172 -14.659  -9.775  1.00 14.97           N  
-ATOM   4334  CA  LEU D 141      -4.899 -14.068 -11.011  1.00 14.94           C  
-ATOM   4335  C   LEU D 141      -3.434 -13.602 -11.198  1.00 11.73           C  
-ATOM   4336  O   LEU D 141      -2.840 -13.285 -12.242  1.00 15.21           O  
-ATOM   4337  CB  LEU D 141      -6.006 -12.939 -11.311  1.00 15.16           C  
-ATOM   4338  CG  LEU D 141      -7.325 -13.394 -11.757  1.00 17.87           C  
-ATOM   4339  CD1 LEU D 141      -7.836 -12.121 -12.278  1.00 24.86           C  
-ATOM   4340  CD2 LEU D 141      -6.860 -13.940 -13.382  1.00 16.07           C  
-ATOM   4341  N   ALA D 142      -2.826 -13.097 -10.036  1.00 14.26           N  
-ATOM   4342  CA  ALA D 142      -1.439 -12.718 -10.054  1.00 17.21           C  
-ATOM   4343  C   ALA D 142      -0.379 -13.783  -9.991  1.00 18.46           C  
-ATOM   4344  O   ALA D 142       0.751 -13.412 -10.228  1.00 18.92           O  
-ATOM   4345  CB  ALA D 142      -1.279 -11.774  -8.892  1.00 19.11           C  
-ATOM   4346  N   HIS D 143      -0.748 -15.020  -9.767  1.00 19.75           N  
-ATOM   4347  CA  HIS D 143       0.079 -16.200  -9.518  1.00 26.63           C  
-ATOM   4348  C   HIS D 143       1.176 -16.436 -10.670  1.00 23.72           C  
-ATOM   4349  O   HIS D 143       2.224 -16.803 -10.136  1.00 24.41           O  
-ATOM   4350  CB  HIS D 143      -0.669 -17.339  -8.942  1.00 25.89           C  
-ATOM   4351  CG  HIS D 143       0.097 -18.406  -8.683  1.00 56.45           C  
-ATOM   4352  ND1 HIS D 143       0.122 -19.475  -9.292  1.00 44.25           N  
-ATOM   4353  CD2 HIS D 143       1.035 -18.261  -7.098  1.00 48.81           C  
-ATOM   4354  CE1 HIS D 143       1.293 -20.089  -8.356  1.00 56.93           C  
-ATOM   4355  NE2 HIS D 143       1.407 -19.517  -7.123  1.00 49.27           N  
-ATOM   4356  N   LYS D 144       0.773 -16.313 -11.824  1.00 19.26           N  
-ATOM   4357  CA  LYS D 144       1.442 -16.574 -13.172  1.00 33.94           C  
-ATOM   4358  C   LYS D 144       2.421 -15.633 -13.479  1.00 32.28           C  
-ATOM   4359  O   LYS D 144       2.996 -15.637 -14.654  1.00 23.60           O  
-ATOM   4360  CB  LYS D 144       1.055 -17.526 -13.968  1.00 31.20           C  
-ATOM   4361  CG  LYS D 144       0.220 -18.870 -13.388  1.00 40.85           C  
-ATOM   4362  CD  LYS D 144       1.002 -19.972 -13.512  1.00 59.03           C  
-ATOM   4363  CE  LYS D 144       0.888 -21.048 -13.306  1.00 56.19           C  
-ATOM   4364  NZ  LYS D 144       1.510 -22.846 -14.338  1.00 70.96           N  
-ATOM   4365  N   TYR D 145       2.435 -14.424 -12.946  1.00 24.92           N  
-ATOM   4366  CA  TYR D 145       3.207 -13.372 -13.244  1.00 29.13           C  
-ATOM   4367  C   TYR D 145       4.717 -13.524 -13.102  1.00 38.17           C  
-ATOM   4368  O   TYR D 145       5.061 -14.114 -12.139  1.00 27.99           O  
-ATOM   4369  CB  TYR D 145       2.744 -12.016 -12.590  1.00 17.99           C  
-ATOM   4370  CG  TYR D 145       1.621 -11.268 -13.262  1.00 17.42           C  
-ATOM   4371  CD1 TYR D 145       1.523 -10.110 -13.925  1.00 16.93           C  
-ATOM   4372  CD2 TYR D 145       0.375 -12.020 -13.134  1.00 18.60           C  
-ATOM   4373  CE1 TYR D 145       0.498  -9.521 -14.492  1.00 17.99           C  
-ATOM   4374  CE2 TYR D 145      -0.813 -11.356 -13.802  1.00 14.96           C  
-ATOM   4375  CZ  TYR D 145      -0.763 -10.275 -14.381  1.00 12.85           C  
-ATOM   4376  OH  TYR D 145      -1.813  -9.580 -14.987  1.00 13.31           O  
-ATOM   4377  N   HIS D 146       5.428 -13.165 -14.072  1.00 26.11           N  
-ATOM   4378  CA  HIS D 146       7.054 -13.167 -14.050  1.00 31.89           C  
-ATOM   4379  C   HIS D 146       7.429 -12.153 -15.048  1.00 21.33           C  
-ATOM   4380  O   HIS D 146       6.931 -11.249 -15.530  1.00 27.92           O  
-ATOM   4381  CB  HIS D 146       7.223 -14.769 -14.665  1.00 30.13           C  
-ATOM   4382  CG  HIS D 146       6.497 -14.789 -15.882  1.00 40.51           C  
-ATOM   4383  ND1 HIS D 146       7.552 -14.702 -17.398  1.00 47.51           N  
-ATOM   4384  CD2 HIS D 146       5.784 -14.325 -16.776  1.00 45.49           C  
-ATOM   4385  CE1 HIS D 146       7.188 -14.800 -17.949  1.00 56.67           C  
-ATOM   4386  NE2 HIS D 146       5.714 -14.339 -18.353  1.00 37.33           N  
-ATOM   4387  OXT HIS D 146       8.812 -12.134 -14.847  1.00 21.61           O  
-TER    4388      HIS D 146                                                      
-HETATM 4389  CHA HEM A 142       8.585   7.902 -18.282  1.00 16.31           C  
-HETATM 4390  CHB HEM A 142      10.355   9.805 -14.208  1.00 26.27           C  
-HETATM 4391  CHC HEM A 142       8.341   6.363 -11.589  1.00 13.23           C  
-HETATM 4392  CHD HEM A 142       6.988   4.088 -15.744  1.00 14.77           C  
-HETATM 4393  C1A HEM A 142       9.141   8.725 -17.504  1.00 17.40           C  
-HETATM 4394  C2A HEM A 142      10.098   9.952 -17.887  1.00 18.53           C  
-HETATM 4395  C3A HEM A 142      10.636  10.499 -16.796  1.00 18.36           C  
-HETATM 4396  C4A HEM A 142      10.137   9.679 -15.611  1.00 16.88           C  
-HETATM 4397  CMA HEM A 142      11.613  11.590 -16.732  1.00 21.20           C  
-HETATM 4398  CAA HEM A 142      10.403  10.367 -19.312  1.00 25.54           C  
-HETATM 4399  CBA HEM A 142       9.552  11.270 -19.659  1.00 31.38           C  
-HETATM 4400  CGA HEM A 142      10.793  12.286 -21.342  1.00 44.82           C  
-HETATM 4401  O1A HEM A 142       9.887  11.345 -21.943  1.00 39.10           O  
-HETATM 4402  O2A HEM A 142       9.308  12.698 -21.487  1.00 54.71           O  
-HETATM 4403  C1B HEM A 142       9.938   9.271 -13.145  1.00 23.63           C  
-HETATM 4404  C2B HEM A 142      10.318   9.380 -11.838  1.00 11.67           C  
-HETATM 4405  C3B HEM A 142       9.660   8.341 -11.052  1.00 17.41           C  
-HETATM 4406  C4B HEM A 142       9.028   7.467 -11.975  1.00 14.84           C  
-HETATM 4407  CMB HEM A 142      11.048  10.634 -11.389  1.00 12.32           C  
-HETATM 4408  CAB HEM A 142       9.567   8.336  -9.634  1.00 24.30           C  
-HETATM 4409  CBB HEM A 142      10.576   8.441  -8.785  1.00 28.40           C  
-HETATM 4410  C1C HEM A 142       7.680   5.498 -12.499  1.00 13.39           C  
-HETATM 4411  C2C HEM A 142       7.270   4.198 -12.170  1.00 11.20           C  
-HETATM 4412  C3C HEM A 142       6.975   3.441 -13.304  1.00  8.94           C  
-HETATM 4413  C4C HEM A 142       7.207   4.445 -14.517  1.00 10.29           C  
-HETATM 4414  CMC HEM A 142       7.098   3.618 -10.845  1.00 13.77           C  
-HETATM 4415  CAC HEM A 142       6.342   2.184 -13.525  1.00 13.45           C  
-HETATM 4416  CBC HEM A 142       6.722   1.153 -12.766  1.00 11.27           C  
-HETATM 4417  C1D HEM A 142       7.302   4.989 -16.733  1.00 11.32           C  
-HETATM 4418  C2D HEM A 142       7.141   4.644 -18.240  1.00 16.69           C  
-HETATM 4419  C3D HEM A 142       7.540   5.718 -18.887  1.00 20.49           C  
-HETATM 4420  C4D HEM A 142       8.172   6.582 -18.158  1.00 16.46           C  
-HETATM 4421  CMD HEM A 142       6.354   3.385 -18.817  1.00 19.45           C  
-HETATM 4422  CAD HEM A 142       7.621   5.740 -20.408  1.00 21.31           C  
-HETATM 4423  CBD HEM A 142       8.764   5.354 -20.767  1.00 38.22           C  
-HETATM 4424  CGD HEM A 142       9.138   5.049 -22.798  1.00 41.21           C  
-HETATM 4425  O1D HEM A 142       9.998   5.836 -22.703  1.00 42.81           O  
-HETATM 4426  O2D HEM A 142       8.349   4.920 -23.144  1.00 40.12           O  
-HETATM 4427  NA  HEM A 142       9.397   8.686 -16.211  1.00 16.46           N  
-HETATM 4428  NB  HEM A 142       9.343   8.012 -13.298  1.00 12.29           N  
-HETATM 4429  NC  HEM A 142       7.604   5.533 -13.949  1.00 15.07           N  
-HETATM 4430  ND  HEM A 142       7.715   6.202 -16.788  1.00 13.07           N  
-HETATM 4431 FE   HEM A 142       8.116   7.403 -15.045  1.00 18.07          FE  
-HETATM 4432  P   PO4 B 147       5.931 -21.573   3.319  1.00 32.97           P  
-HETATM 4433  CHA HEM B 148       9.659 -10.155  20.773  1.00 21.59           C  
-HETATM 4434  CHB HEM B 148      11.121 -12.190  16.575  1.00 16.50           C  
-HETATM 4435  CHC HEM B 148       9.762  -8.175  14.122  1.00 16.82           C  
-HETATM 4436  CHD HEM B 148       8.223  -6.187  18.294  1.00 16.19           C  
-HETATM 4437  C1A HEM B 148      10.199 -10.977  19.856  1.00 24.57           C  
-HETATM 4438  C2A HEM B 148      10.940 -12.186  20.114  1.00 17.10           C  
-HETATM 4439  C3A HEM B 148      11.529 -12.852  19.028  1.00 13.46           C  
-HETATM 4440  C4A HEM B 148      10.911 -11.942  17.916  1.00 18.78           C  
-HETATM 4441  CMA HEM B 148      12.211 -14.084  18.855  1.00 20.21           C  
-HETATM 4442  CAA HEM B 148      11.171 -12.750  21.554  1.00 21.16           C  
-HETATM 4443  CBA HEM B 148      10.089 -13.674  21.941  1.00 27.78           C  
-HETATM 4444  CGA HEM B 148       9.936 -14.643  23.585  1.00 59.12           C  
-HETATM 4445  O1A HEM B 148      10.040 -13.299  24.151  1.00 44.32           O  
-HETATM 4446  O2A HEM B 148       9.582 -15.171  23.405  1.00 46.16           O  
-HETATM 4447  C1B HEM B 148      10.820 -11.284  15.524  1.00 10.36           C  
-HETATM 4448  C2B HEM B 148      11.247 -11.528  14.048  1.00  7.33           C  
-HETATM 4449  C3B HEM B 148      10.827 -10.448  13.495  1.00 15.63           C  
-HETATM 4450  C4B HEM B 148      10.176  -9.458  14.534  1.00 15.33           C  
-HETATM 4451  CMB HEM B 148      11.793 -12.748  13.802  1.00 14.96           C  
-HETATM 4452  CAB HEM B 148      10.965 -10.083  11.934  1.00 19.63           C  
-HETATM 4453  CBB HEM B 148      12.063 -10.466  11.288  1.00 39.39           C  
-HETATM 4454  C1C HEM B 148       9.223  -7.280  15.193  1.00 14.39           C  
-HETATM 4455  C2C HEM B 148       8.943  -5.947  14.698  1.00 10.78           C  
-HETATM 4456  C3C HEM B 148       8.461  -5.188  15.934  1.00 10.68           C  
-HETATM 4457  C4C HEM B 148       8.575  -6.422  16.809  1.00  8.70           C  
-HETATM 4458  CMC HEM B 148       9.067  -5.306  13.381  1.00 13.95           C  
-HETATM 4459  CAC HEM B 148       7.915  -3.899  16.132  1.00 11.87           C  
-HETATM 4460  CBC HEM B 148       8.359  -2.863  15.599  1.00 12.63           C  
-HETATM 4461  C1D HEM B 148       8.576  -7.046  19.346  1.00 18.32           C  
-HETATM 4462  C2D HEM B 148       8.195  -6.791  20.753  1.00 15.48           C  
-HETATM 4463  C3D HEM B 148       8.512  -8.051  21.256  1.00 14.57           C  
-HETATM 4464  C4D HEM B 148       9.290  -8.905  20.340  1.00 20.76           C  
-HETATM 4465  CMD HEM B 148       7.722  -5.449  21.269  1.00 27.50           C  
-HETATM 4466  CAD HEM B 148       8.696  -7.989  22.865  1.00 13.85           C  
-HETATM 4467  CBD HEM B 148      10.051  -7.739  23.453  1.00 17.11           C  
-HETATM 4468  CGD HEM B 148      10.333  -8.222  25.219  1.00 27.09           C  
-HETATM 4469  O1D HEM B 148      11.372  -7.572  25.386  1.00 27.49           O  
-HETATM 4470  O2D HEM B 148       9.169  -8.132  25.625  1.00 23.65           O  
-HETATM 4471  NA  HEM B 148      10.260 -10.823  18.453  1.00 15.64           N  
-HETATM 4472  NB  HEM B 148      10.199 -10.051  15.722  1.00 12.71           N  
-HETATM 4473  NC  HEM B 148       9.104  -7.643  16.544  1.00 11.22           N  
-HETATM 4474  ND  HEM B 148       9.090  -8.239  19.067  1.00 16.72           N  
-HETATM 4475 FE   HEM B 148       9.333  -9.335  17.389  1.00 15.00          FE  
-HETATM 4476  CHA HEM C 142      -8.630   7.776  18.352  1.00 18.96           C  
-HETATM 4477  CHB HEM C 142     -10.320  10.048  14.384  1.00 20.49           C  
-HETATM 4478  CHC HEM C 142      -8.304   6.446  11.794  1.00 15.25           C  
-HETATM 4479  CHD HEM C 142      -6.900   4.052  15.698  1.00 14.70           C  
-HETATM 4480  C1A HEM C 142      -9.195   8.664  17.417  1.00 16.72           C  
-HETATM 4481  C2A HEM C 142     -10.045   9.791  17.916  1.00 15.73           C  
-HETATM 4482  C3A HEM C 142     -10.613  10.462  16.942  1.00 17.27           C  
-HETATM 4483  C4A HEM C 142     -10.077   9.749  15.710  1.00 12.07           C  
-HETATM 4484  CMA HEM C 142     -11.422  11.658  16.756  1.00 31.88           C  
-HETATM 4485  CAA HEM C 142     -10.321  10.351  19.308  1.00 24.60           C  
-HETATM 4486  CBA HEM C 142      -9.201  11.341  19.696  1.00 36.28           C  
-HETATM 4487  CGA HEM C 142     -10.014  12.024  21.724  1.00 43.70           C  
-HETATM 4488  O1A HEM C 142      -9.511  10.786  22.089  1.00 38.93           O  
-HETATM 4489  O2A HEM C 142      -9.503  12.583  21.415  1.00 46.28           O  
-HETATM 4490  C1B HEM C 142      -9.882   9.419  13.260  1.00 18.45           C  
-HETATM 4491  C2B HEM C 142     -10.342   9.474  11.782  1.00 12.95           C  
-HETATM 4492  C3B HEM C 142      -9.631   8.558  11.160  1.00 12.49           C  
-HETATM 4493  C4B HEM C 142      -8.945   7.665  12.157  1.00  8.33           C  
-HETATM 4494  CMB HEM C 142     -11.015  10.631  11.441  1.00 15.16           C  
-HETATM 4495  CAB HEM C 142      -9.701   8.335   9.552  1.00 21.83           C  
-HETATM 4496  CBB HEM C 142     -10.742   8.875   9.052  1.00 33.11           C  
-HETATM 4497  C1C HEM C 142      -7.751   5.629  12.596  1.00 15.97           C  
-HETATM 4498  C2C HEM C 142      -7.320   4.232  12.130  1.00  9.41           C  
-HETATM 4499  C3C HEM C 142      -6.879   3.543  13.304  1.00 11.73           C  
-HETATM 4500  C4C HEM C 142      -7.009   4.441  14.484  1.00 15.36           C  
-HETATM 4501  CMC HEM C 142      -7.210   3.774  10.722  1.00 13.23           C  
-HETATM 4502  CAC HEM C 142      -6.459   2.233  13.437  1.00 19.55           C  
-HETATM 4503  CBC HEM C 142      -6.761   1.082  12.572  1.00 14.52           C  
-HETATM 4504  C1D HEM C 142      -7.305   4.996  16.751  1.00 11.54           C  
-HETATM 4505  C2D HEM C 142      -6.959   4.620  18.250  1.00 12.94           C  
-HETATM 4506  C3D HEM C 142      -7.527   5.654  18.907  1.00 11.38           C  
-HETATM 4507  C4D HEM C 142      -7.947   6.663  18.081  1.00 11.29           C  
-HETATM 4508  CMD HEM C 142      -6.299   3.375  18.648  1.00 13.29           C  
-HETATM 4509  CAD HEM C 142      -7.594   5.618  20.504  1.00 15.84           C  
-HETATM 4510  CBD HEM C 142      -8.833   5.076  20.877  1.00 21.27           C  
-HETATM 4511  CGD HEM C 142      -9.085   5.314  22.774  1.00 26.94           C  
-HETATM 4512  O1D HEM C 142     -10.036   5.486  22.824  1.00 30.21           O  
-HETATM 4513  O2D HEM C 142      -8.326   4.541  23.113  1.00 25.95           O  
-HETATM 4514  NA  HEM C 142      -9.276   8.702  16.089  1.00 16.55           N  
-HETATM 4515  NB  HEM C 142      -9.138   8.185  13.333  1.00 12.79           N  
-HETATM 4516  NC  HEM C 142      -7.518   5.627  13.990  1.00 12.28           N  
-HETATM 4517  ND  HEM C 142      -7.740   6.303  16.793  1.00 12.30           N  
-HETATM 4518 FE   HEM C 142      -8.129   7.348  15.002  1.00 16.89          FE  
-HETATM 4519  P   PO4 D 147      -6.147 -21.111  -3.332  1.00 31.17           P  
-HETATM 4520  CHA HEM D 148      -9.813  -9.884 -20.599  1.00 19.84           C  
-HETATM 4521  CHB HEM D 148     -11.252 -11.989 -16.610  1.00 16.61           C  
-HETATM 4522  CHC HEM D 148      -9.951  -8.302 -14.119  1.00 13.93           C  
-HETATM 4523  CHD HEM D 148      -8.200  -5.985 -18.127  1.00 15.88           C  
-HETATM 4524  C1A HEM D 148     -10.428 -10.865 -19.783  1.00 28.09           C  
-HETATM 4525  C2A HEM D 148     -11.318 -12.071 -20.258  1.00 22.30           C  
-HETATM 4526  C3A HEM D 148     -11.693 -12.664 -19.188  1.00 22.59           C  
-HETATM 4527  C4A HEM D 148     -11.051 -11.756 -18.004  1.00 25.38           C  
-HETATM 4528  CMA HEM D 148     -12.566 -13.772 -18.973  1.00 20.23           C  
-HETATM 4529  CAA HEM D 148     -11.486 -12.464 -21.884  1.00 19.24           C  
-HETATM 4530  CBA HEM D 148     -10.405 -12.971 -22.194  1.00 50.08           C  
-HETATM 4531  CGA HEM D 148      -9.805 -13.296 -24.484  1.00 47.00           C  
-HETATM 4532  O1A HEM D 148     -11.117 -13.581 -24.158  1.00 49.99           O  
-HETATM 4533  O2A HEM D 148      -9.172 -14.946 -24.346  1.00 55.24           O  
-HETATM 4534  C1B HEM D 148     -10.937 -11.332 -15.462  1.00 14.32           C  
-HETATM 4535  C2B HEM D 148     -11.232 -11.509 -14.176  1.00 15.75           C  
-HETATM 4536  C3B HEM D 148     -10.801 -10.525 -13.479  1.00 14.95           C  
-HETATM 4537  C4B HEM D 148     -10.217  -9.585 -14.421  1.00 12.78           C  
-HETATM 4538  CMB HEM D 148     -11.799 -12.726 -13.757  1.00 18.74           C  
-HETATM 4539  CAB HEM D 148     -10.869 -10.291 -11.895  1.00 16.19           C  
-HETATM 4540  CBB HEM D 148     -11.756 -10.396 -11.494  1.00 34.22           C  
-HETATM 4541  C1C HEM D 148      -9.469  -7.417 -14.891  1.00 14.15           C  
-HETATM 4542  C2C HEM D 148      -8.915  -5.898 -14.609  1.00 16.84           C  
-HETATM 4543  C3C HEM D 148      -8.353  -5.322 -15.741  1.00 13.21           C  
-HETATM 4544  C4C HEM D 148      -8.605  -6.360 -16.751  1.00 15.07           C  
-HETATM 4545  CMC HEM D 148      -9.128  -5.229 -13.166  1.00 18.77           C  
-HETATM 4546  CAC HEM D 148      -7.843  -4.077 -15.916  1.00 13.84           C  
-HETATM 4547  CBC HEM D 148      -8.331  -3.032 -15.408  1.00 20.77           C  
-HETATM 4548  C1D HEM D 148      -8.465  -7.065 -19.281  1.00 18.28           C  
-HETATM 4549  C2D HEM D 148      -8.394  -6.595 -20.574  1.00 20.40           C  
-HETATM 4550  C3D HEM D 148      -8.861  -7.841 -21.341  1.00 19.16           C  
-HETATM 4551  C4D HEM D 148      -9.573  -8.702 -20.531  1.00 19.80           C  
-HETATM 4552  CMD HEM D 148      -7.686  -5.397 -21.106  1.00 25.65           C  
-HETATM 4553  CAD HEM D 148      -8.956  -7.733 -22.890  1.00 23.94           C  
-HETATM 4554  CBD HEM D 148     -10.040  -6.949 -23.304  1.00 45.78           C  
-HETATM 4555  CGD HEM D 148     -10.579  -7.365 -25.200  1.00 48.49           C  
-HETATM 4556  O1D HEM D 148      -9.907  -5.916 -25.395  1.00 40.71           O  
-HETATM 4557  O2D HEM D 148      -9.982  -7.978 -25.490  1.00 45.79           O  
-HETATM 4558  NA  HEM D 148     -10.454 -10.804 -18.459  1.00 15.98           N  
-HETATM 4559  NB  HEM D 148     -10.364  -9.999 -15.688  1.00 14.27           N  
-HETATM 4560  NC  HEM D 148      -9.228  -7.489 -16.235  1.00 12.21           N  
-HETATM 4561  ND  HEM D 148      -9.282  -8.209 -19.162  1.00 12.94           N  
-HETATM 4562 FE   HEM D 148      -9.504  -9.265 -17.387  1.00 15.46          FE  
-HETATM 4563  O   HOH A 143      27.864   0.667   0.584  1.00 21.15           O  
-HETATM 4564  O   HOH A 144      10.459   5.072 -14.201  1.00 29.96           O  
-HETATM 4565  O   HOH A 145      17.782  -1.325 -26.109  1.00 23.65           O  
-HETATM 4566  O   HOH A 146      13.825   2.114   3.861  1.00 23.17           O  
-HETATM 4567  O   HOH A 147      16.741  12.813   9.083  1.00 26.86           O  
-HETATM 4568  O   HOH A 148      22.374   9.235  11.515  1.00 30.53           O  
-HETATM 4569  O   HOH A 149      25.903  -1.921  -7.245  1.00 27.68           O  
-HETATM 4570  O   HOH A 150      11.472   3.167   0.508  1.00 27.27           O  
-HETATM 4571  O   HOH A 151      30.661   6.822  -0.101  1.00 29.31           O  
-HETATM 4572  O   HOH A 152      -3.585   1.717  -5.969  1.00 29.54           O  
-HETATM 4573  O   HOH A 153      32.341  10.298   6.014  1.00 35.74           O  
-HETATM 4574  O   HOH A 154      34.406  10.442   4.080  1.00 31.58           O  
-HETATM 4575  O   HOH A 155      30.017   0.297  -1.177  1.00 37.73           O  
-HETATM 4576  O   HOH A 156      21.428  14.396 -13.024  1.00 37.58           O  
-HETATM 4577  O   HOH A 157      10.103   6.463  -0.224  1.00 29.83           O  
-HETATM 4578  O   HOH A 158      28.011  -0.672  -5.493  1.00 34.75           O  
-HETATM 4579  O   HOH A 159      12.221   6.676 -21.742  1.00 35.95           O  
-HETATM 4580  O   HOH A 160       0.070  13.369 -11.506  1.00 27.36           O  
-HETATM 4581  O   HOH A 161       6.073  -7.542  -8.224  1.00 27.80           O  
-HETATM 4582  O   HOH A 162       0.959  -1.910 -19.919  1.00 29.65           O  
-HETATM 4583  O   HOH A 163      -5.435   9.067 -14.288  1.00 30.27           O  
-HETATM 4584  O   HOH A 164       3.108  18.897 -10.351  1.00 37.13           O  
-HETATM 4585  O   HOH A 165       9.253   2.690  -0.595  1.00 31.92           O  
-HETATM 4586  O   HOH A 166       3.509   1.516 -20.390  1.00 30.86           O  
-HETATM 4587  O   HOH A 167       7.323   6.472  -2.528  1.00 34.91           O  
-HETATM 4588  O   HOH A 168       8.069  21.100  -2.836  1.00 34.13           O  
-HETATM 4589  O   HOH A 169      22.069   5.076 -17.599  1.00 36.10           O  
-HETATM 4590  O   HOH A 170      12.511  23.031 -13.238  1.00 37.77           O  
-HETATM 4591  O   HOH A 171      27.846   5.439   7.283  1.00 39.01           O  
-HETATM 4592  O   HOH A 172      16.593  -6.697  -7.432  1.00 35.74           O  
-HETATM 4593  O   HOH A 173      19.969  -3.554 -17.319  1.00 36.03           O  
-HETATM 4594  O   HOH A 174      14.440  13.918 -17.292  1.00 34.06           O  
-HETATM 4595  O   HOH A 175      30.151   3.417  -5.741  1.00 35.04           O  
-HETATM 4596  O   HOH A 176       8.360   5.321   2.557  1.00 38.02           O  
-HETATM 4597  O   HOH A 177      -6.479  11.748 -17.967  1.00 39.72           O  
-HETATM 4598  O   HOH A 178       8.608  18.432 -15.341  1.00 36.40           O  
-HETATM 4599  O   HOH A 179      13.827  13.620   8.994  1.00 37.52           O  
-HETATM 4600  O   HOH A 180      16.070  12.039  11.262  1.00 38.53           O  
-HETATM 4601  O   HOH A 181       2.747   5.937  -4.128  1.00 42.85           O  
-HETATM 4602  O   HOH A 182       7.523  20.881 -15.648  1.00 39.27           O  
-HETATM 4603  O   HOH A 183      11.712 -10.960  -5.769  1.00 38.61           O  
-HETATM 4604  O   HOH A 184      30.119   4.139  -8.587  1.00 34.80           O  
-HETATM 4605  O   HOH A 185      25.533   1.205 -11.184  1.00 42.30           O  
-HETATM 4606  O   HOH A 186      -4.812  12.384  -7.265  1.00 38.29           O  
-HETATM 4607  O   HOH A 187      23.809  19.925   1.758  1.00 39.37           O  
-HETATM 4608  O   HOH A 188      26.015  11.766   5.159  1.00 40.95           O  
-HETATM 4609  O   HOH A 189      14.639  24.823  -4.300  1.00 41.35           O  
-HETATM 4610  O   HOH A 190      14.903   5.393 -23.047  1.00 37.45           O  
-HETATM 4611  O   HOH A 191      16.650  -5.137 -16.717  1.00 39.12           O  
-HETATM 4612  O   HOH A 192       7.424  -6.700 -20.085  1.00 38.62           O  
-HETATM 4613  O   HOH A 193      23.120  -3.118 -12.992  1.00 37.05           O  
-HETATM 4614  O   HOH A 194      23.664   0.968 -14.389  1.00 36.25           O  
-HETATM 4615  O   HOH A 195      25.698   7.981 -15.362  1.00 35.85           O  
-HETATM 4616  O   HOH A 196      30.009  16.347  -6.794  1.00 37.62           O  
-HETATM 4617  O   HOH A 197      27.728  16.677  -1.376  1.00 42.54           O  
-HETATM 4618  O   HOH A 198       8.142  18.836   1.041  1.00 39.90           O  
-HETATM 4619  O   HOH B 149       0.093  -2.470  16.222  1.00 21.64           O  
-HETATM 4620  O   HOH B 150      -5.404  -9.289  14.863  1.00 29.94           O  
-HETATM 4621  O   HOH B 151      17.543 -13.863  -8.044  1.00 26.33           O  
-HETATM 4622  O   HOH B 152      10.126  -8.396  -0.639  1.00 27.87           O  
-HETATM 4623  O   HOH B 153      25.765  -4.888  -7.482  1.00 33.60           O  
-HETATM 4624  O   HOH B 154      31.028  -6.924  -0.005  1.00 27.86           O  
-HETATM 4625  O   HOH B 155      10.572  -9.505   7.329  1.00 34.89           O  
-HETATM 4626  O   HOH B 156       2.908 -19.221  10.523  1.00 29.82           O  
-HETATM 4627  O   HOH B 157      27.245 -11.383  -5.263  1.00 34.30           O  
-HETATM 4628  O   HOH B 158       5.726 -17.664   4.076  1.00 29.36           O  
-HETATM 4629  O   HOH B 159      30.677  -1.382  -3.264  1.00 34.23           O  
-HETATM 4630  O   HOH B 160      21.396 -19.202   9.299  1.00 34.06           O  
-HETATM 4631  O   HOH B 161       3.400  -4.625  22.878  1.00 34.98           O  
-HETATM 4632  O   HOH B 162      23.029   7.858  13.868  1.00 34.02           O  
-HETATM 4633  O   HOH B 163      10.054   0.537   2.970  1.00 33.29           O  
-HETATM 4634  O   HOH B 164      16.523 -14.815  19.144  1.00 32.12           O  
-HETATM 4635  O   HOH B 165      -3.521  -7.996  18.788  1.00 35.56           O  
-HETATM 4636  O   HOH B 166       9.429  -6.067   3.140  1.00 34.98           O  
-HETATM 4637  O   HOH B 167      25.800 -14.208  -2.740  1.00 37.65           O  
-HETATM 4638  O   HOH B 168       0.313 -14.430   5.859  1.00 34.45           O  
-HETATM 4639  O   HOH B 169      25.879 -15.224  10.033  1.00 33.37           O  
-HETATM 4640  O   HOH B 170      35.602  -4.153  -9.289  1.00 35.71           O  
-HETATM 4641  O   HOH B 171      20.781   6.254  23.632  1.00 38.68           O  
-HETATM 4642  O   HOH B 172      21.800 -18.543  12.994  1.00 40.56           O  
-HETATM 4643  O   HOH B 173       7.807 -19.735  16.230  1.00 34.56           O  
-HETATM 4644  O   HOH B 174      -2.047 -12.487  30.048  1.00 36.28           O  
-HETATM 4645  O   HOH B 175      13.681  -7.349  23.790  1.00 31.60           O  
-HETATM 4646  O   HOH B 176      24.831 -18.968   5.896  1.00 34.00           O  
-HETATM 4647  O   HOH B 177       5.475  -5.297  23.977  1.00 36.71           O  
-HETATM 4648  O   HOH B 178      15.904  -5.466  24.689  1.00 34.84           O  
-HETATM 4649  O   HOH B 179      22.123   0.182  16.584  1.00 33.20           O  
-HETATM 4650  O   HOH B 180      19.207 -15.705  -9.408  1.00 37.19           O  
-HETATM 4651  O   HOH B 181      25.174 -12.029  -8.381  1.00 35.87           O  
-HETATM 4652  O   HOH B 182     -10.362 -13.333  12.465  1.00 36.08           O  
-HETATM 4653  O   HOH B 183      12.092   8.997  23.297  1.00 38.22           O  
-HETATM 4654  O   HOH B 184       7.727   5.204  22.116  1.00 43.17           O  
-HETATM 4655  O   HOH B 185      30.137 -14.006  10.129  1.00 36.03           O  
-HETATM 4656  O   HOH B 186      13.730 -18.833  14.202  1.00 39.57           O  
-HETATM 4657  O   HOH B 187      22.379   8.870  23.585  1.00 37.45           O  
-HETATM 4658  O   HOH B 188      -4.205 -14.646   8.671  1.00 38.65           O  
-HETATM 4659  O   HOH B 189      12.589  14.261  19.653  1.00 36.93           O  
-HETATM 4660  O   HOH B 190      24.652   6.230  17.996  1.00 42.01           O  
-HETATM 4661  O   HOH B 191       8.775 -23.438  16.055  1.00 42.33           O  
-HETATM 4662  O   HOH B 192      -7.480 -10.898  17.998  1.00 38.06           O  
-HETATM 4663  O   HOH B 193      11.388 -11.044  24.763  1.00 39.34           O  
-HETATM 4664  O   HOH B 194       3.735  -3.643   2.734  1.00 42.17           O  
-HETATM 4665  O   HOH B 195       3.149  -0.692   2.083  1.00 41.40           O  
-HETATM 4666  O   HOH B 196       4.511 -25.886  13.006  1.00 39.83           O  
-HETATM 4667  O   HOH B 197       8.712 -21.655   3.577  1.00 43.08           O  
-HETATM 4668  O   HOH B 198      22.926  -4.304  24.079  1.00 38.10           O  
-HETATM 4669  O   HOH B 199      11.435   9.654  20.618  1.00 40.23           O  
-HETATM 4670  O   HOH B 200      18.099   5.542  27.744  1.00 39.03           O  
-HETATM 4671  O   HOH B 201      12.174   9.951   9.804  1.00 44.34           O  
-HETATM 4672  O   HOH B 202      24.745  -2.501  15.270  1.00 39.78           O  
-HETATM 4673  O   HOH B 203      24.231   0.100  14.764  1.00 42.94           O  
-HETATM 4674  O   HOH B 204      23.324 -18.136  10.981  1.00 53.60           O  
-HETATM 4675  O   HOH B 205      25.576 -22.211   6.309  1.00 45.18           O  
-HETATM 4676  O   HOH C 143      -2.661  -3.608   9.261  1.00 21.26           O  
-HETATM 4677  O   HOH C 144       0.111  13.200  11.373  1.00 21.54           O  
-HETATM 4678  O   HOH C 145     -16.704  12.691  -9.201  1.00 23.30           O  
-HETATM 4679  O   HOH C 146     -13.774   2.466  -4.032  1.00 22.15           O  
-HETATM 4680  O   HOH C 147       5.273   9.077  14.193  1.00 28.02           O  
-HETATM 4681  O   HOH C 148     -11.466   3.494  -0.405  1.00 32.97           O  
-HETATM 4682  O   HOH C 149     -10.454   4.898  14.327  1.00 33.04           O  
-HETATM 4683  O   HOH C 150      -7.824   6.701   2.273  1.00 27.40           O  
-HETATM 4684  O   HOH C 151      -1.248  -1.596  20.098  1.00 29.84           O  
-HETATM 4685  O   HOH C 152       2.150  -0.244  14.446  1.00 30.74           O  
-HETATM 4686  O   HOH C 153      -2.060  18.771  19.773  1.00 29.22           O  
-HETATM 4687  O   HOH C 154     -21.154  14.002  13.362  1.00 32.40           O  
-HETATM 4688  O   HOH C 155      -9.105   3.030   0.663  1.00 28.46           O  
-HETATM 4689  O   HOH C 156       0.739  12.802   4.676  1.00 38.51           O  
-HETATM 4690  O   HOH C 157      -8.549  18.107  15.436  1.00 35.20           O  
-HETATM 4691  O   HOH C 158      -3.358   1.489  20.400  1.00 39.88           O  
-HETATM 4692  O   HOH C 159      -2.351  -4.643   6.766  1.00 36.39           O  
-HETATM 4693  O   HOH C 160      -9.995   6.820   0.255  1.00 29.81           O  
-HETATM 4694  O   HOH C 161      -1.621  21.259  16.530  1.00 33.74           O  
-HETATM 4695  O   HOH C 162      -5.469  23.850  15.062  1.00 31.03           O  
-HETATM 4696  O   HOH C 163       3.572   1.751   6.044  1.00 29.72           O  
-HETATM 4697  O   HOH C 164     -12.295   6.520  21.611  1.00 31.11           O  
-HETATM 4698  O   HOH C 165     -14.251  13.845  17.234  1.00 30.77           O  
-HETATM 4699  O   HOH C 166     -17.414  -5.952  27.962  1.00 34.94           O  
-HETATM 4700  O   HOH C 167      -3.547  16.435  20.027  1.00 34.58           O  
-HETATM 4701  O   HOH C 168     -16.355  -6.652   7.174  1.00 37.69           O  
-HETATM 4702  O   HOH C 169      -7.541  12.855  -2.773  1.00 34.39           O  
-HETATM 4703  O   HOH C 170      -4.225   9.070   1.455  1.00 35.72           O  
-HETATM 4704  O   HOH C 171     -25.974  -1.828   7.173  1.00 32.50           O  
-HETATM 4705  O   HOH C 172      -9.581  -6.364  21.942  1.00 37.91           O  
-HETATM 4706  O   HOH C 173     -14.874   4.521  23.126  1.00 36.81           O  
-HETATM 4707  O   HOH C 174     -15.534  20.875 -10.339  1.00 37.83           O  
-HETATM 4708  O   HOH C 175      -8.242  21.385   2.969  1.00 35.70           O  
-HETATM 4709  O   HOH C 176      -5.634  24.523   6.954  1.00 37.22           O  
-HETATM 4710  O   HOH C 177     -22.981  14.501  -8.660  1.00 34.30           O  
-HETATM 4711  O   HOH C 178     -13.871  16.688 -10.143  1.00 36.92           O  
-HETATM 4712  O   HOH C 179     -20.275  19.235   8.097  1.00 34.30           O  
-HETATM 4713  O   HOH C 180       1.720  15.273   3.670  1.00 39.46           O  
-HETATM 4714  O   HOH C 181      -2.824  18.993  10.315  1.00 37.49           O  
-HETATM 4715  O   HOH C 182      -2.160   0.091  22.111  1.00 39.39           O  
-HETATM 4716  O   HOH C 183       7.922  12.037  14.216  1.00 34.40           O  
-HETATM 4717  O   HOH C 184      -2.698   5.986   4.174  1.00 37.01           O  
-HETATM 4718  O   HOH C 185       6.321  10.115   3.931  1.00 35.17           O  
-HETATM 4719  O   HOH C 186      -7.096  21.140  15.539  1.00 35.39           O  
-HETATM 4720  O   HOH C 187     -10.581  17.364  16.459  1.00 39.95           O  
-HETATM 4721  O   HOH C 188      -4.668  13.050  -0.747  1.00 39.36           O  
-HETATM 4722  O   HOH C 189      -4.764  -6.228   5.515  1.00 40.89           O  
-HETATM 4723  O   HOH C 190       4.693  12.083   7.558  1.00 40.24           O  
-HETATM 4724  O   HOH C 191      -4.731  16.453   2.295  1.00 36.37           O  
-HETATM 4725  O   HOH C 192      -1.055  11.866  -0.448  1.00 43.19           O  
-HETATM 4726  O   HOH C 193     -18.517  -8.355  15.267  1.00 35.55           O  
-HETATM 4727  O   HOH C 194       6.547   9.706  16.296  1.00 41.86           O  
-HETATM 4728  O   HOH C 195       0.029  22.606  14.164  1.00 43.02           O  
-HETATM 4729  O   HOH C 196     -11.367   0.306  28.463  1.00 44.30           O  
-HETATM 4730  O   HOH C 197     -19.950 -10.635  14.301  1.00 40.17           O  
-HETATM 4731  O   HOH C 198      -7.047  -6.324  20.098  1.00 36.98           O  
-HETATM 4732  O   HOH C 199     -23.876   1.108  14.102  1.00 33.31           O  
-HETATM 4733  O   HOH C 200     -34.199   8.033  11.037  1.00 40.72           O  
-HETATM 4734  O   HOH C 201     -14.173  13.393  -8.778  1.00 43.21           O  
-HETATM 4735  O   HOH D 149       0.061  -2.494 -16.397  1.00 18.64           O  
-HETATM 4736  O   HOH D 150      -8.041 -19.581 -16.153  1.00 26.28           O  
-HETATM 4737  O   HOH D 151       2.825  -3.769  -9.602  1.00 23.08           O  
-HETATM 4738  O   HOH D 152      -2.494  -0.118 -14.151  1.00 25.33           O  
-HETATM 4739  O   HOH D 153      -9.792  -8.060   0.750  1.00 30.48           O  
-HETATM 4740  O   HOH D 154      -6.518 -22.534 -15.665  1.00 34.60           O  
-HETATM 4741  O   HOH D 155     -17.398 -13.549   8.357  1.00 35.82           O  
-HETATM 4742  O   HOH D 156       5.350  -9.378 -15.018  1.00 27.68           O  
-HETATM 4743  O   HOH D 157      -6.300 -24.347 -19.100  1.00 35.93           O  
-HETATM 4744  O   HOH D 158      -9.520   7.447 -21.130  1.00 40.04           O  
-HETATM 4745  O   HOH D 159     -16.425  -5.250 -24.764  1.00 32.57           O  
-HETATM 4746  O   HOH D 160      -7.987 -14.493   1.146  1.00 34.30           O  
-HETATM 4747  O   HOH D 161      -3.890   0.572 -11.856  1.00 34.78           O  
-HETATM 4748  O   HOH D 162     -29.504  -0.198  -4.474  1.00 38.63           O  
-HETATM 4749  O   HOH D 163     -25.631 -15.732  -9.906  1.00 33.22           O  
-HETATM 4750  O   HOH D 164      -2.623 -18.453 -21.128  1.00 35.47           O  
-HETATM 4751  O   HOH D 165      -2.780 -19.130 -10.800  1.00 30.23           O  
-HETATM 4752  O   HOH D 166     -25.734  -4.456   7.605  1.00 34.33           O  
-HETATM 4753  O   HOH D 167     -11.771 -10.816   5.496  1.00 38.68           O  
-HETATM 4754  O   HOH D 168      -9.924   0.291  -2.970  1.00 38.71           O  
-HETATM 4755  O   HOH D 169     -25.514 -14.066   2.449  1.00 36.60           O  
-HETATM 4756  O   HOH D 170      -5.455 -17.392  -4.316  1.00 34.43           O  
-HETATM 4757  O   HOH D 171       2.688 -11.418  -8.564  1.00 35.73           O  
-HETATM 4758  O   HOH D 172       7.091 -10.993 -18.224  1.00 32.39           O  
-HETATM 4759  O   HOH D 173      -9.377  -6.399  -3.029  1.00 35.44           O  
-HETATM 4760  O   HOH D 174     -16.565 -17.782 -17.506  1.00 41.02           O  
-HETATM 4761  O   HOH D 175      -8.141  -3.463 -24.390  1.00 37.14           O  
-HETATM 4762  O   HOH D 176     -16.560 -15.177 -19.016  1.00 34.89           O  
-HETATM 4763  O   HOH D 177       3.477  -8.048 -19.033  1.00 35.94           O  
-HETATM 4764  O   HOH D 178     -24.698 -11.573   8.724  1.00 38.01           O  
-HETATM 4765  O   HOH D 179       2.193  -4.435  -6.557  1.00 38.51           O  
-HETATM 4766  O   HOH D 180     -29.898 -16.926  -2.135  1.00 36.37           O  
-HETATM 4767  O   HOH D 181      -7.374   8.034 -17.831  1.00 34.05           O  
-HETATM 4768  O   HOH D 182     -24.015   0.401 -15.301  1.00 39.14           O  
-HETATM 4769  O   HOH D 183     -12.141   9.790 -10.238  1.00 38.30           O  
-HETATM 4770  O   HOH D 184      -5.765  -3.569 -23.682  1.00 36.68           O  
-HETATM 4771  O   HOH D 185      -4.860  -9.811  -2.967  1.00 37.10           O  
-HETATM 4772  O   HOH D 186     -23.107  -4.490 -24.359  1.00 37.97           O  
-HETATM 4773  O   HOH D 187     -10.377  -9.632  -7.043  1.00 38.85           O  
-HETATM 4774  O   HOH D 188      -7.871  -9.078   2.406  1.00 43.37           O  
-HETATM 4775  O   HOH D 189     -27.610 -10.991   5.353  1.00 43.46           O  
-HETATM 4776  O   HOH D 190     -14.034   2.806 -30.367  1.00 41.77           O  
-HETATM 4777  O   HOH D 191     -32.905  -9.033   0.480  1.00 43.68           O  
-HETATM 4778  O   HOH D 192     -28.749 -13.315   1.938  1.00 45.36           O  
-HETATM 4779  O   HOH D 193       0.516  -8.074 -26.354  1.00 41.53           O  
-HETATM 4780  O   HOH D 194     -20.080  -9.873 -22.862  1.00 36.25           O  
-HETATM 4781  O   HOH D 195     -13.442   9.778 -13.572  1.00 39.70           O  
-HETATM 4782  O   HOH D 196     -24.804  -2.608 -15.488  1.00 37.79           O  
-HETATM 4783  O   HOH D 197      -1.263  -2.837 -21.251  1.00 45.10           O  
-CONECT  650 4431                                                                
-CONECT 1771 4475                                                                
-CONECT 2844 4518                                                                
-CONECT 3965 4562                                                                
-CONECT 4389 4393 4420                                                           
-CONECT 4390 4396 4403                                                           
-CONECT 4391 4406 4410                                                           
-CONECT 4392 4413 4417                                                           
-CONECT 4393 4389 4394 4427                                                      
-CONECT 4394 4393 4395 4398                                                      
-CONECT 4395 4394 4396 4397                                                      
-CONECT 4396 4390 4395 4427                                                      
-CONECT 4397 4395                                                                
-CONECT 4398 4394 4399                                                           
-CONECT 4399 4398 4400                                                           
-CONECT 4400 4399 4401 4402                                                      
-CONECT 4401 4400                                                                
-CONECT 4402 4400                                                                
-CONECT 4403 4390 4404 4428                                                      
-CONECT 4404 4403 4405 4407                                                      
-CONECT 4405 4404 4406 4408                                                      
-CONECT 4406 4391 4405 4428                                                      
-CONECT 4407 4404                                                                
-CONECT 4408 4405 4409                                                           
-CONECT 4409 4408                                                                
-CONECT 4410 4391 4411 4429                                                      
-CONECT 4411 4410 4412 4414                                                      
-CONECT 4412 4411 4413 4415                                                      
-CONECT 4413 4392 4412 4429                                                      
-CONECT 4414 4411                                                                
-CONECT 4415 4412 4416                                                           
-CONECT 4416 4415                                                                
-CONECT 4417 4392 4418 4430                                                      
-CONECT 4418 4417 4419 4421                                                      
-CONECT 4419 4418 4420 4422                                                      
-CONECT 4420 4389 4419 4430                                                      
-CONECT 4421 4418                                                                
-CONECT 4422 4419 4423                                                           
-CONECT 4423 4422 4424                                                           
-CONECT 4424 4423 4425 4426                                                      
-CONECT 4425 4424                                                                
-CONECT 4426 4424                                                                
-CONECT 4427 4393 4396 4431                                                      
-CONECT 4428 4403 4406 4431                                                      
-CONECT 4429 4410 4413 4431                                                      
-CONECT 4430 4417 4420 4431                                                      
-CONECT 4431  650 4427 4428 4429                                                 
-CONECT 4431 4430                                                                
-CONECT 4433 4437 4464                                                           
-CONECT 4434 4440 4447                                                           
-CONECT 4435 4450 4454                                                           
-CONECT 4436 4457 4461                                                           
-CONECT 4437 4433 4438 4471                                                      
-CONECT 4438 4437 4439 4442                                                      
-CONECT 4439 4438 4440 4441                                                      
-CONECT 4440 4434 4439 4471                                                      
-CONECT 4441 4439                                                                
-CONECT 4442 4438 4443                                                           
-CONECT 4443 4442 4444                                                           
-CONECT 4444 4443 4445 4446                                                      
-CONECT 4445 4444                                                                
-CONECT 4446 4444                                                                
-CONECT 4447 4434 4448 4472                                                      
-CONECT 4448 4447 4449 4451                                                      
-CONECT 4449 4448 4450 4452                                                      
-CONECT 4450 4435 4449 4472                                                      
-CONECT 4451 4448                                                                
-CONECT 4452 4449 4453                                                           
-CONECT 4453 4452                                                                
-CONECT 4454 4435 4455 4473                                                      
-CONECT 4455 4454 4456 4458                                                      
-CONECT 4456 4455 4457 4459                                                      
-CONECT 4457 4436 4456 4473                                                      
-CONECT 4458 4455                                                                
-CONECT 4459 4456 4460                                                           
-CONECT 4460 4459                                                                
-CONECT 4461 4436 4462 4474                                                      
-CONECT 4462 4461 4463 4465                                                      
-CONECT 4463 4462 4464 4466                                                      
-CONECT 4464 4433 4463 4474                                                      
-CONECT 4465 4462                                                                
-CONECT 4466 4463 4467                                                           
-CONECT 4467 4466 4468                                                           
-CONECT 4468 4467 4469 4470                                                      
-CONECT 4469 4468                                                                
-CONECT 4470 4468                                                                
-CONECT 4471 4437 4440 4475                                                      
-CONECT 4472 4447 4450 4475                                                      
-CONECT 4473 4454 4457 4475                                                      
-CONECT 4474 4461 4464 4475                                                      
-CONECT 4475 1771 4471 4472 4473                                                 
-CONECT 4475 4474                                                                
-CONECT 4476 4480 4507                                                           
-CONECT 4477 4483 4490                                                           
-CONECT 4478 4493 4497                                                           
-CONECT 4479 4500 4504                                                           
-CONECT 4480 4476 4481 4514                                                      
-CONECT 4481 4480 4482 4485                                                      
-CONECT 4482 4481 4483 4484                                                      
-CONECT 4483 4477 4482 4514                                                      
-CONECT 4484 4482                                                                
-CONECT 4485 4481 4486                                                           
-CONECT 4486 4485 4487                                                           
-CONECT 4487 4486 4488 4489                                                      
-CONECT 4488 4487                                                                
-CONECT 4489 4487                                                                
-CONECT 4490 4477 4491 4515                                                      
-CONECT 4491 4490 4492 4494                                                      
-CONECT 4492 4491 4493 4495                                                      
-CONECT 4493 4478 4492 4515                                                      
-CONECT 4494 4491                                                                
-CONECT 4495 4492 4496                                                           
-CONECT 4496 4495                                                                
-CONECT 4497 4478 4498 4516                                                      
-CONECT 4498 4497 4499 4501                                                      
-CONECT 4499 4498 4500 4502                                                      
-CONECT 4500 4479 4499 4516                                                      
-CONECT 4501 4498                                                                
-CONECT 4502 4499 4503                                                           
-CONECT 4503 4502                                                                
-CONECT 4504 4479 4505 4517                                                      
-CONECT 4505 4504 4506 4508                                                      
-CONECT 4506 4505 4507 4509                                                      
-CONECT 4507 4476 4506 4517                                                      
-CONECT 4508 4505                                                                
-CONECT 4509 4506 4510                                                           
-CONECT 4510 4509 4511                                                           
-CONECT 4511 4510 4512 4513                                                      
-CONECT 4512 4511                                                                
-CONECT 4513 4511                                                                
-CONECT 4514 4480 4483 4518                                                      
-CONECT 4515 4490 4493 4518                                                      
-CONECT 4516 4497 4500 4518                                                      
-CONECT 4517 4504 4507 4518                                                      
-CONECT 4518 2844 4514 4515 4516                                                 
-CONECT 4518 4517                                                                
-CONECT 4520 4524 4551                                                           
-CONECT 4521 4527 4534                                                           
-CONECT 4522 4537 4541                                                           
-CONECT 4523 4544 4548                                                           
-CONECT 4524 4520 4525 4558                                                      
-CONECT 4525 4524 4526 4529                                                      
-CONECT 4526 4525 4527 4528                                                      
-CONECT 4527 4521 4526 4558                                                      
-CONECT 4528 4526                                                                
-CONECT 4529 4525 4530                                                           
-CONECT 4530 4529 4531                                                           
-CONECT 4531 4530 4532 4533                                                      
-CONECT 4532 4531                                                                
-CONECT 4533 4531                                                                
-CONECT 4534 4521 4535 4559                                                      
-CONECT 4535 4534 4536 4538                                                      
-CONECT 4536 4535 4537 4539                                                      
-CONECT 4537 4522 4536 4559                                                      
-CONECT 4538 4535                                                                
-CONECT 4539 4536 4540                                                           
-CONECT 4540 4539                                                                
-CONECT 4541 4522 4542 4560                                                      
-CONECT 4542 4541 4543 4545                                                      
-CONECT 4543 4542 4544 4546                                                      
-CONECT 4544 4523 4543 4560                                                      
-CONECT 4545 4542                                                                
-CONECT 4546 4543 4547                                                           
-CONECT 4547 4546                                                                
-CONECT 4548 4523 4549 4561                                                      
-CONECT 4549 4548 4550 4552                                                      
-CONECT 4550 4549 4551 4553                                                      
-CONECT 4551 4520 4550 4561                                                      
-CONECT 4552 4549                                                                
-CONECT 4553 4550 4554                                                           
-CONECT 4554 4553 4555                                                           
-CONECT 4555 4554 4556 4557                                                      
-CONECT 4556 4555                                                                
-CONECT 4557 4555                                                                
-CONECT 4558 4524 4527 4562                                                      
-CONECT 4559 4534 4537 4562                                                      
-CONECT 4560 4541 4544 4562                                                      
-CONECT 4561 4548 4551 4562                                                      
-CONECT 4562 3965 4558 4559 4560                                                 
-CONECT 4562 4561                                                                
-MASTER      711    0    6   32    0    0   16    9 4779    4  180   46          
-END                                                                             
+HEADER    OXYGEN TRANSPORT                        07-MAR-84   4HHB
+TITLE     THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS
+TITLE    2 RESOLUTION
+CAVEAT     4HHB    THR A 137 HAS WRONG CHIRALITY AT ATOM CB THR B 12 HAS WRONG
+CAVEAT   2 4HHB    CHIRALITY AT ATOM CB THR B 50 HAS WRONG CHIRALITY AT ATOM
+CAVEAT   3 4HHB    CB ASN C 78 HAS WRONG CHIRALITY AT ATOM CA THR C 118 HAS
+CAVEAT   4 4HHB    WRONG CHIRALITY AT ATOM CB HIS D 2 HAS WRONG CHIRALITY AT
+CAVEAT   5 4HHB    ATOM CA SER D 72 HAS WRONG CHIRALITY AT ATOM CA ASP D 73
+CAVEAT   6 4HHB    HAS WRONG CHIRALITY AT ATOM CA LEU D 78 HAS WRONG CHIRALITY
+CAVEAT   7 4HHB    AT ATOM CA LYS D 144 HAS WRONG CHIRALITY AT ATOM CA
+COMPND    MOL_ID: 1;
+COMPND   2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA;
+COMPND   3 CHAIN: A, C;
+COMPND   4 SYNONYM: ALPHA-GLOBIN,HEMOGLOBIN ALPHA CHAIN;
+COMPND   5 ENGINEERED: YES;
+COMPND   6 MOL_ID: 2;
+COMPND   7 MOLECULE: HEMOGLOBIN SUBUNIT BETA;
+COMPND   8 CHAIN: B, D;
+COMPND   9 SYNONYM: BETA-GLOBIN,HEMOGLOBIN BETA CHAIN;
+COMPND  10 ENGINEERED: YES
+SOURCE    MOL_ID: 1;
+SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
+SOURCE   3 ORGANISM_COMMON: HUMAN;
+SOURCE   4 ORGANISM_TAXID: 9606;
+SOURCE   5 GENE: HBA1, HBA2;
+SOURCE   6 MOL_ID: 2;
+SOURCE   7 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
+SOURCE   8 ORGANISM_COMMON: HUMAN;
+SOURCE   9 ORGANISM_TAXID: 9606;
+SOURCE  10 GENE: HBB
+KEYWDS    OXYGEN TRANSPORT
+EXPDTA    X-RAY DIFFRACTION
+AUTHOR    G.FERMI,M.F.PERUTZ
+REVDAT   6   17-JUN-20 4HHB    1       CAVEAT COMPND SOURCE DBREF
+REVDAT   6 2                   1       ATOM
+REVDAT   5   13-JUL-11 4HHB    1       VERSN
+REVDAT   4   24-FEB-09 4HHB    1       VERSN
+REVDAT   3   01-APR-03 4HHB    1       JRNL
+REVDAT   2   15-OCT-89 4HHB    3       MTRIX
+REVDAT   1   17-JUL-84 4HHB    0
+SPRSDE     17-JUL-84 4HHB      1HHB
+JRNL        AUTH   G.FERMI,M.F.PERUTZ,B.SHAANAN,R.FOURME
+JRNL        TITL   THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 A
+JRNL        TITL 2 RESOLUTION
+JRNL        REF    J.MOL.BIOL.                   V. 175   159 1984
+JRNL        REFN                   ISSN 0022-2836
+JRNL        PMID   6726807
+JRNL        DOI    10.1016/0022-2836(84)90472-8
+REMARK   1
+REMARK   1 REFERENCE 1
+REMARK   1  AUTH   M.F.PERUTZ,S.S.HASNAIN,P.J.DUKE,J.L.SESSLER,J.E.HAHN
+REMARK   1  TITL   STEREOCHEMISTRY OF IRON IN DEOXYHAEMOGLOBIN
+REMARK   1  REF    NATURE                        V. 295   535 1982
+REMARK   1  REFN                   ISSN 0028-0836
+REMARK   1 REFERENCE 2
+REMARK   1  AUTH   G.FERMI,M.F.PERUTZ
+REMARK   1  REF    HAEMOGLOBIN AND MYOGLOBIN.    V.   2       1981
+REMARK   1  REF  2 ATLAS OF MOLECULAR
+REMARK   1  REF  3 STRUCTURES IN BIOLOGY
+REMARK   1  PUBL   OXFORD UNIVERSITY PRESS
+REMARK   1  REFN
+REMARK   1 REFERENCE 3
+REMARK   1  AUTH   M.F.PERUTZ
+REMARK   1  TITL   REGULATION OF OXYGEN AFFINITY OF HEMOGLOBIN. INFLUENCE OF
+REMARK   1  TITL 2 STRUCTURE OF THE GLOBIN ON THE HEME IRON
+REMARK   1  REF    ANNU.REV.BIOCHEM.             V.  48   327 1979
+REMARK   1  REFN                   ISSN 0066-4154
+REMARK   1 REFERENCE 4
+REMARK   1  AUTH   L.F.TENEYCK,A.ARNONE
+REMARK   1  TITL   THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN DEOXYHEMOGLOBIN
+REMARK   1  TITL 2 AT 2.5 ANGSTROMS RESOLUTION, I.X-RAY ANALYSIS
+REMARK   1  REF    J.MOL.BIOL.                   V. 100     3 1976
+REMARK   1  REFN                   ISSN 0022-2836
+REMARK   1 REFERENCE 5
+REMARK   1  AUTH   G.FERMI
+REMARK   1  TITL   THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN
+REMARK   1  TITL 2 DEOXYHAEMOGLOBIN AT 2.5 ANGSTROMS RESOLUTION, REFINEMENT OF
+REMARK   1  TITL 3 THE ATOMIC MODEL
+REMARK   1  REF    J.MOL.BIOL.                   V.  97   237 1975
+REMARK   1  REFN                   ISSN 0022-2836
+REMARK   1 REFERENCE 6
+REMARK   1  AUTH   H.MUIRHEAD,J.GREER
+REMARK   1  TITL   THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN
+REMARK   1  TITL 2 DEOXYHAEMOGLOBIN AT 3.5 ANGSTROMS RESOLUTION
+REMARK   1  REF    NATURE                        V. 228   516 1970
+REMARK   1  REFN                   ISSN 0028-0836
+REMARK   1 REFERENCE 7
+REMARK   1  EDIT   M.O.DAYHOFF
+REMARK   1  REF    ATLAS OF PROTEIN SEQUENCE     V.   5    56 1972
+REMARK   1  REF  2 AND STRUCTURE (DATA SECTION)
+REMARK   1  PUBL   NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD.
+REMARK   1  REFN
+REMARK   1 REFERENCE 8
+REMARK   1  EDIT   M.O.DAYHOFF
+REMARK   1  REF    ATLAS OF PROTEIN SEQUENCE     V.   5    64 1972
+REMARK   1  REF  2 AND STRUCTURE (DATA SECTION)
+REMARK   1  PUBL   NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD.
+REMARK   1  REFN
+REMARK   2
+REMARK   2 RESOLUTION.    1.74 ANGSTROMS.
+REMARK   3
+REMARK   3 REFINEMENT.
+REMARK   3   PROGRAM     : NULL
+REMARK   3   AUTHORS     : NULL
+REMARK   3
+REMARK   3  DATA USED IN REFINEMENT.
+REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.74
+REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : NULL
+REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL
+REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL
+REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL
+REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : NULL
+REMARK   3   NUMBER OF REFLECTIONS             : NULL
+REMARK   3
+REMARK   3  FIT TO DATA USED IN REFINEMENT.
+REMARK   3   CROSS-VALIDATION METHOD          : NULL
+REMARK   3   FREE R VALUE TEST SET SELECTION  : NULL
+REMARK   3   R VALUE            (WORKING SET) : 0.135
+REMARK   3   FREE R VALUE                     : NULL
+REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL
+REMARK   3   FREE R VALUE TEST SET COUNT      : NULL
+REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL
+REMARK   3
+REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.
+REMARK   3   TOTAL NUMBER OF BINS USED           : NULL
+REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : NULL
+REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL
+REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL
+REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL
+REMARK   3   BIN R VALUE           (WORKING SET) : NULL
+REMARK   3   BIN FREE R VALUE                    : NULL
+REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL
+REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL
+REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL
+REMARK   3
+REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
+REMARK   3   PROTEIN ATOMS            : 4384
+REMARK   3   NUCLEIC ACID ATOMS       : 0
+REMARK   3   HETEROGEN ATOMS          : 174
+REMARK   3   SOLVENT ATOMS            : 221
+REMARK   3
+REMARK   3  B VALUES.
+REMARK   3   FROM WILSON PLOT           (A**2) : NULL
+REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL
+REMARK   3   OVERALL ANISOTROPIC B VALUE.
+REMARK   3    B11 (A**2) : NULL
+REMARK   3    B22 (A**2) : NULL
+REMARK   3    B33 (A**2) : NULL
+REMARK   3    B12 (A**2) : NULL
+REMARK   3    B13 (A**2) : NULL
+REMARK   3    B23 (A**2) : NULL
+REMARK   3
+REMARK   3  ESTIMATED COORDINATE ERROR.
+REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL
+REMARK   3   ESD FROM SIGMAA              (A) : NULL
+REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL
+REMARK   3
+REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
+REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL
+REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL
+REMARK   3
+REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.
+REMARK   3   BOND LENGTHS                 (A) : NULL
+REMARK   3   BOND ANGLES            (DEGREES) : NULL
+REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL
+REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL
+REMARK   3
+REMARK   3  ISOTROPIC THERMAL MODEL : NULL
+REMARK   3
+REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA
+REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL
+REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL
+REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL
+REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL
+REMARK   3
+REMARK   3  NCS MODEL : NULL
+REMARK   3
+REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT
+REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL
+REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL
+REMARK   3
+REMARK   3  PARAMETER FILE  1  : NULL
+REMARK   3  TOPOLOGY FILE  1   : NULL
+REMARK   3
+REMARK   3  OTHER REFINEMENT REMARKS:
+REMARK   3  THE COORDINATES GIVEN HERE ARE IN THE ORTHOGONAL ANGSTROM
+REMARK   3  SYSTEM STANDARD FOR HEMOGLOBINS. THE Y AXIS IS THE
+REMARK   3  (NON CRYSTALLOGRAPHIC) MOLECULAR DIAD AND THE X AXIS IS THE
+REMARK   3  PSEUDO DIAD WHICH RELATES THE ALPHA-1 AND BETA-1 CHAINS.
+REMARK   3  THE TRANSFORMATION GIVEN IN THE *MTRIX* RECORDS BELOW
+REMARK   3  WILL GENERATE COORDINATES FOR THE *C* AND *D* CHAINS FROM
+REMARK   3  THE *A* AND *B* CHAINS RESPECTIVELY.
+REMARK   4
+REMARK   4 4HHB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
+REMARK 100
+REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
+REMARK 100 THE DEPOSITION ID IS D_1000179340.
+REMARK 200
+REMARK 200 EXPERIMENTAL DETAILS
+REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION
+REMARK 200  DATE OF DATA COLLECTION        : NULL
+REMARK 200  TEMPERATURE           (KELVIN) : NULL
+REMARK 200  PH                             : NULL
+REMARK 200  NUMBER OF CRYSTALS USED        : NULL
+REMARK 200
+REMARK 200  SYNCHROTRON              (Y/N) : NULL
+REMARK 200  RADIATION SOURCE               : NULL
+REMARK 200  BEAMLINE                       : NULL
+REMARK 200  X-RAY GENERATOR MODEL          : NULL
+REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : NULL
+REMARK 200  WAVELENGTH OR RANGE        (A) : NULL
+REMARK 200  MONOCHROMATOR                  : NULL
+REMARK 200  OPTICS                         : NULL
+REMARK 200
+REMARK 200  DETECTOR TYPE                  : NULL
+REMARK 200  DETECTOR MANUFACTURER          : NULL
+REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL
+REMARK 200  DATA SCALING SOFTWARE          : NULL
+REMARK 200
+REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : NULL
+REMARK 200  RESOLUTION RANGE HIGH      (A) : NULL
+REMARK 200  RESOLUTION RANGE LOW       (A) : NULL
+REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL
+REMARK 200
+REMARK 200 OVERALL.
+REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL
+REMARK 200  DATA REDUNDANCY                : NULL
+REMARK 200  R MERGE                    (I) : NULL
+REMARK 200  R SYM                      (I) : NULL
+REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL
+REMARK 200
+REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
+REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
+REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL
+REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL
+REMARK 200  DATA REDUNDANCY IN SHELL       : NULL
+REMARK 200  R MERGE FOR SHELL          (I) : NULL
+REMARK 200  R SYM FOR SHELL            (I) : NULL
+REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL
+REMARK 200
+REMARK 200 DIFFRACTION PROTOCOL: NULL
+REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
+REMARK 200 SOFTWARE USED: NULL
+REMARK 200 STARTING MODEL: NULL
+REMARK 200
+REMARK 200 REMARK: NULL
+REMARK 280
+REMARK 280 CRYSTAL
+REMARK 280 SOLVENT CONTENT, VS   (%): 45.48
+REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.26
+REMARK 280
+REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
+REMARK 285
+REMARK 285 THE ENTRY COORDINATES
+REMARK 285 ARE NOT PRESENTED IN THE STANDARD CRYSTAL FRAME.
+REMARK 290
+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
+REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1
+REMARK 290
+REMARK 290      SYMOP   SYMMETRY
+REMARK 290     NNNMMM   OPERATOR
+REMARK 290       1555   X,Y,Z
+REMARK 290       2555   -X,Y+1/2,-Z
+REMARK 290
+REMARK 290     WHERE NNN -> OPERATOR NUMBER
+REMARK 290           MMM -> TRANSLATION VECTOR
+REMARK 290
+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
+REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
+REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
+REMARK 290 RELATED MOLECULES.
+REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000
+REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000
+REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000
+REMARK 290   SMTRY1   2 -0.949456 -0.312801 -0.025883       -6.64347
+REMARK 290   SMTRY2   2 -0.312858  0.936202  0.160212       41.12228
+REMARK 290   SMTRY3   2 -0.025884  0.160188 -0.986745        3.40218
+REMARK 290
+REMARK 290 REMARK: NULL
+REMARK 300
+REMARK 300 BIOMOLECULE: 1
+REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
+REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
+REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
+REMARK 300 BURIED SURFACE AREA.
+REMARK 350
+REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
+REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
+REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
+REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND
+REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
+REMARK 350
+REMARK 350 BIOMOLECULE: 1
+REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC
+REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC
+REMARK 350 SOFTWARE USED: PISA
+REMARK 350 TOTAL BURIED SURFACE AREA: 11630 ANGSTROM**2
+REMARK 350 SURFACE AREA OF THE COMPLEX: 24010 ANGSTROM**2
+REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -98.0 KCAL/MOL
+REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D
+REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000
+REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000
+REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000
+REMARK 500
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
+REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
+REMARK 500
+REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
+REMARK 500
+REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE
+REMARK 500   C    VAL B     1     CA   HIS B     2              1.63
+REMARK 500   C    PHE D    45     CA   GLY D    46              1.78
+REMARK 500   CB   THR D     4     OE2  GLU D     6              2.00
+REMARK 500   NZ   LYS D    66     O1A  HEM D   148              2.06
+REMARK 500   OD2  ASP D    73     O    HOH D   174              2.10
+REMARK 500   OG1  THR D     4     OE2  GLU D     6              2.19
+REMARK 500
+REMARK 500 REMARK: NULL
+REMARK 500
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
+REMARK 500 SUBTOPIC: CLOSE CONTACTS
+REMARK 500
+REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
+REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15
+REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
+REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
+REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE
+REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
+REMARK 500
+REMARK 500 DISTANCE CUTOFF:
+REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
+REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
+REMARK 500
+REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE
+REMARK 500   OD2  ASP C    85     O    HOH B   204     2657     1.41
+REMARK 500   O    HOH B   204     O    HOH C   161     2647     2.02
+REMARK 500
+REMARK 500 REMARK: NULL
+REMARK 500
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
+REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
+REMARK 500
+REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
+REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
+REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
+REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
+REMARK 500
+REMARK 500 STANDARD TABLE:
+REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
+REMARK 500
+REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
+REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
+REMARK 500
+REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION
+REMARK 500    VAL A   1   N     VAL A   1   CA     -0.295
+REMARK 500    VAL A   1   CA    VAL A   1   CB      0.299
+REMARK 500    VAL A   1   CB    VAL A   1   CG1    -0.206
+REMARK 500    VAL A   1   CB    VAL A   1   CG2    -0.283
+REMARK 500    LEU A   2   CA    LEU A   2   C       0.249
+REMARK 500    LEU A   2   C     SER A   3   N      -0.320
+REMARK 500    SER A   3   N     SER A   3   CA      0.167
+REMARK 500    SER A   3   CB    SER A   3   OG     -0.132
+REMARK 500    SER A   3   C     PRO A   4   N       0.282
+REMARK 500    PRO A   4   N     PRO A   4   CA     -0.149
+REMARK 500    PRO A   4   CA    PRO A   4   CB      0.202
+REMARK 500    PRO A   4   C     ALA A   5   N       0.257
+REMARK 500    ALA A   5   N     ALA A   5   CA     -0.130
+REMARK 500    ALA A   5   CA    ALA A   5   CB      0.247
+REMARK 500    LYS A   7   N     LYS A   7   CA      0.157
+REMARK 500    LYS A   7   C     THR A   8   N       0.258
+REMARK 500    THR A   8   CA    THR A   8   CB      0.178
+REMARK 500    THR A   8   CB    THR A   8   OG1    -0.173
+REMARK 500    THR A   8   CB    THR A   8   CG2    -0.245
+REMARK 500    THR A   8   CA    THR A   8   C      -0.174
+REMARK 500    THR A   8   C     ASN A   9   N       0.179
+REMARK 500    VAL A  10   CB    VAL A  10   CG2    -0.179
+REMARK 500    VAL A  10   CA    VAL A  10   C       0.160
+REMARK 500    LYS A  11   N     LYS A  11   CA      0.131
+REMARK 500    LYS A  11   CA    LYS A  11   CB     -0.137
+REMARK 500    LYS A  11   CB    LYS A  11   CG     -0.196
+REMARK 500    LYS A  11   CG    LYS A  11   CD     -0.206
+REMARK 500    LYS A  11   CD    LYS A  11   CE      0.454
+REMARK 500    ALA A  12   N     ALA A  12   CA     -0.133
+REMARK 500    ALA A  12   C     ALA A  12   O       0.225
+REMARK 500    ALA A  13   CA    ALA A  13   C       0.201
+REMARK 500    TRP A  14   CA    TRP A  14   CB      0.291
+REMARK 500    TRP A  14   CB    TRP A  14   CG     -0.274
+REMARK 500    TRP A  14   CG    TRP A  14   CD1     0.306
+REMARK 500    TRP A  14   CD1   TRP A  14   NE1     0.158
+REMARK 500    TRP A  14   NE1   TRP A  14   CE2    -0.234
+REMARK 500    TRP A  14   CE2   TRP A  14   CZ2    -0.243
+REMARK 500    TRP A  14   CE2   TRP A  14   CD2     0.221
+REMARK 500    TRP A  14   CH2   TRP A  14   CZ2    -0.217
+REMARK 500    GLY A  15   CA    GLY A  15   C       0.182
+REMARK 500    GLY A  15   C     GLY A  15   O       0.437
+REMARK 500    GLY A  15   C     LYS A  16   N      -0.418
+REMARK 500    LYS A  16   CB    LYS A  16   CG      0.164
+REMARK 500    LYS A  16   CG    LYS A  16   CD      0.488
+REMARK 500    LYS A  16   CD    LYS A  16   CE      0.410
+REMARK 500    LYS A  16   C     LYS A  16   O      -0.149
+REMARK 500    LYS A  16   C     VAL A  17   N       0.180
+REMARK 500    VAL A  17   N     VAL A  17   CA     -0.191
+REMARK 500    VAL A  17   CA    VAL A  17   CB     -0.168
+REMARK 500    VAL A  17   CA    VAL A  17   C       0.432
+REMARK 500
+REMARK 500 THIS ENTRY HAS    1271 BOND DEVIATIONS.
+REMARK 500
+REMARK 500 REMARK: NULL
+REMARK 500
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
+REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
+REMARK 500
+REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
+REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
+REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
+REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
+REMARK 500
+REMARK 500 STANDARD TABLE:
+REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
+REMARK 500
+REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
+REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
+REMARK 500
+REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3
+REMARK 500    VAL A   1   CG1 -  CB  -  CG2 ANGL. DEV. =  27.5 DEGREES
+REMARK 500    VAL A   1   CA  -  CB  -  CG2 ANGL. DEV. = -25.9 DEGREES
+REMARK 500    VAL A   1   CA  -  C   -  N   ANGL. DEV. = -13.3 DEGREES
+REMARK 500    VAL A   1   O   -  C   -  N   ANGL. DEV. =  12.7 DEGREES
+REMARK 500    LEU A   2   C   -  N   -  CA  ANGL. DEV. = -20.6 DEGREES
+REMARK 500    LEU A   2   N   -  CA  -  CB  ANGL. DEV. = -17.9 DEGREES
+REMARK 500    LEU A   2   CB  -  CG  -  CD1 ANGL. DEV. =  13.0 DEGREES
+REMARK 500    LEU A   2   CA  -  C   -  O   ANGL. DEV. = -21.8 DEGREES
+REMARK 500    LEU A   2   O   -  C   -  N   ANGL. DEV. =  30.2 DEGREES
+REMARK 500    SER A   3   N   -  CA  -  CB  ANGL. DEV. =  -9.7 DEGREES
+REMARK 500    SER A   3   CA  -  C   -  O   ANGL. DEV. =  15.9 DEGREES
+REMARK 500    SER A   3   O   -  C   -  N   ANGL. DEV. = -14.6 DEGREES
+REMARK 500    PRO A   4   C   -  N   -  CA  ANGL. DEV. = -14.1 DEGREES
+REMARK 500    PRO A   4   C   -  N   -  CD  ANGL. DEV. = -18.4 DEGREES
+REMARK 500    PRO A   4   CB  -  CA  -  C   ANGL. DEV. = -30.7 DEGREES
+REMARK 500    PRO A   4   CA  -  CB  -  CG  ANGL. DEV. = -15.7 DEGREES
+REMARK 500    PRO A   4   N   -  CD  -  CG  ANGL. DEV. = -12.4 DEGREES
+REMARK 500    PRO A   4   O   -  C   -  N   ANGL. DEV. =  -9.9 DEGREES
+REMARK 500    ALA A   5   CB  -  CA  -  C   ANGL. DEV. = -10.8 DEGREES
+REMARK 500    ASP A   6   CB  -  CG  -  OD1 ANGL. DEV. =   6.5 DEGREES
+REMARK 500    ASP A   6   CB  -  CG  -  OD2 ANGL. DEV. =  -8.8 DEGREES
+REMARK 500    ASP A   6   O   -  C   -  N   ANGL. DEV. =  14.8 DEGREES
+REMARK 500    LYS A   7   C   -  N   -  CA  ANGL. DEV. = -20.2 DEGREES
+REMARK 500    LYS A   7   N   -  CA  -  CB  ANGL. DEV. = -13.5 DEGREES
+REMARK 500    LYS A   7   CD  -  CE  -  NZ  ANGL. DEV. = -27.4 DEGREES
+REMARK 500    LYS A   7   N   -  CA  -  C   ANGL. DEV. =  22.1 DEGREES
+REMARK 500    LYS A   7   CA  -  C   -  N   ANGL. DEV. = -20.1 DEGREES
+REMARK 500    THR A   8   C   -  N   -  CA  ANGL. DEV. = -15.7 DEGREES
+REMARK 500    THR A   8   CA  -  CB  -  CG2 ANGL. DEV. = -10.7 DEGREES
+REMARK 500    THR A   8   CA  -  C   -  O   ANGL. DEV. =  21.3 DEGREES
+REMARK 500    VAL A  10   O   -  C   -  N   ANGL. DEV. =  11.4 DEGREES
+REMARK 500    ALA A  12   C   -  N   -  CA  ANGL. DEV. = -22.9 DEGREES
+REMARK 500    ALA A  12   CB  -  CA  -  C   ANGL. DEV. = -29.5 DEGREES
+REMARK 500    ALA A  12   N   -  CA  -  CB  ANGL. DEV. = -14.5 DEGREES
+REMARK 500    ALA A  12   O   -  C   -  N   ANGL. DEV. = -25.9 DEGREES
+REMARK 500    ALA A  13   O   -  C   -  N   ANGL. DEV. =  13.6 DEGREES
+REMARK 500    TRP A  14   CA  -  CB  -  CG  ANGL. DEV. = -22.4 DEGREES
+REMARK 500    TRP A  14   CG  -  CD1 -  NE1 ANGL. DEV. = -13.5 DEGREES
+REMARK 500    TRP A  14   CD1 -  NE1 -  CE2 ANGL. DEV. =  19.8 DEGREES
+REMARK 500    TRP A  14   NE1 -  CE2 -  CZ2 ANGL. DEV. =  11.2 DEGREES
+REMARK 500    TRP A  14   CH2 -  CZ2 -  CE2 ANGL. DEV. =  13.2 DEGREES
+REMARK 500    GLY A  15   C   -  N   -  CA  ANGL. DEV. = -19.0 DEGREES
+REMARK 500    GLY A  15   N   -  CA  -  C   ANGL. DEV. = -24.3 DEGREES
+REMARK 500    GLY A  15   CA  -  C   -  O   ANGL. DEV. = -21.6 DEGREES
+REMARK 500    GLY A  15   CA  -  C   -  N   ANGL. DEV. =  25.6 DEGREES
+REMARK 500    GLY A  15   O   -  C   -  N   ANGL. DEV. =  -9.9 DEGREES
+REMARK 500    LYS A  16   C   -  N   -  CA  ANGL. DEV. =  15.1 DEGREES
+REMARK 500    LYS A  16   N   -  CA  -  CB  ANGL. DEV. =  14.8 DEGREES
+REMARK 500    LYS A  16   CG  -  CD  -  CE  ANGL. DEV. = -48.6 DEGREES
+REMARK 500    LYS A  16   CD  -  CE  -  NZ  ANGL. DEV. =  17.9 DEGREES
+REMARK 500
+REMARK 500 THIS ENTRY HAS    1481 ANGLE DEVIATIONS.
+REMARK 500
+REMARK 500 REMARK: NULL
+REMARK 500
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
+REMARK 500 SUBTOPIC: TORSION ANGLES
+REMARK 500
+REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
+REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
+REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
+REMARK 500
+REMARK 500 STANDARD TABLE:
+REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
+REMARK 500
+REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
+REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
+REMARK 500
+REMARK 500  M RES CSSEQI        PSI       PHI
+REMARK 500    SER A   3     -176.01    -60.80
+REMARK 500    LYS A  16      -55.41     -1.55
+REMARK 500    ALA A  21      -76.55    -47.40
+REMARK 500    LEU A  48       40.81   -103.90
+REMARK 500    SER A  52      150.87    -47.80
+REMARK 500    HIS A 122      -70.12    -41.02
+REMARK 500    THR B   4     -176.32    -55.07
+REMARK 500    GLU B   7      -71.39    -64.26
+REMARK 500    PHE B  45       -9.16    -52.07
+REMARK 500    ASN B  80       59.72   -142.35
+REMARK 500    TYR B 145      130.62    -35.71
+REMARK 500    SER C   3      172.94    -57.29
+REMARK 500    VAL C  17      -70.34    -65.44
+REMARK 500    LEU C  48       32.06    -92.63
+REMARK 500    ASP C  75       72.45   -151.27
+REMARK 500    LYS C  90      -77.18   -122.52
+REMARK 500    LEU C 113       71.25   -107.78
+REMARK 500    LEU D   3     -163.80   -100.24
+REMARK 500    ASN D  19       94.43    -63.05
+REMARK 500    GLN D  39        0.49    -67.48
+REMARK 500    SER D  72      -71.73    -40.75
+REMARK 500    ASP D  73      -43.09    -22.67
+REMARK 500    ALA D  76        7.73    -63.28
+REMARK 500    HIS D  77       62.58   -172.71
+REMARK 500    LEU D  78      -50.86    -25.69
+REMARK 500    ASN D  80       85.05   -167.04
+REMARK 500    HIS D  97       35.26     76.08
+REMARK 500
+REMARK 500 REMARK: NULL
+REMARK 500
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
+REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS
+REMARK 500
+REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH
+REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED
+REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND
+REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.
+REMARK 500                                 MODEL     OMEGA
+REMARK 500 GLY A   18     ALA A   19                 -145.49
+REMARK 500 SER B   49     THR B   50                  113.74
+REMARK 500 LEU D    3     THR D    4                  148.65
+REMARK 500 VAL D   18     ASN D   19                  148.41
+REMARK 500 LEU D   48     SER D   49                 -144.37
+REMARK 500 SER D   49     THR D   50                  143.57
+REMARK 500
+REMARK 500 REMARK: NULL
+REMARK 500
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
+REMARK 500 SUBTOPIC: PLANAR GROUPS
+REMARK 500
+REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
+REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
+REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
+REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
+REMARK 500 AN RMSD GREATER THAN THIS VALUE
+REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
+REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
+REMARK 500
+REMARK 500  M RES CSSEQI        RMS     TYPE
+REMARK 500    HIS A  20         0.17    SIDE CHAIN
+REMARK 500    GLU A  23         0.25    SIDE CHAIN
+REMARK 500    TYR A  24         0.10    SIDE CHAIN
+REMARK 500    PHE A  36         0.09    SIDE CHAIN
+REMARK 500    HIS A  45         0.11    SIDE CHAIN
+REMARK 500    HIS A  50         0.20    SIDE CHAIN
+REMARK 500    GLN A  54         0.10    SIDE CHAIN
+REMARK 500    ASP A  64         0.14    SIDE CHAIN
+REMARK 500    HIS A  72         0.24    SIDE CHAIN
+REMARK 500    ASN A  78         0.08    SIDE CHAIN
+REMARK 500    ASP A  85         0.09    SIDE CHAIN
+REMARK 500    ARG A  92         0.08    SIDE CHAIN
+REMARK 500    ASP A 126         0.10    SIDE CHAIN
+REMARK 500    ARG A 141         0.08    SIDE CHAIN
+REMARK 500    HIS B   2         0.16    SIDE CHAIN
+REMARK 500    GLU B   6         0.16    SIDE CHAIN
+REMARK 500    ASN B  19         0.08    SIDE CHAIN
+REMARK 500    ASP B  21         0.15    SIDE CHAIN
+REMARK 500    GLU B  22         0.51    SIDE CHAIN
+REMARK 500    GLU B  26         0.38    SIDE CHAIN
+REMARK 500    ASP B  47         0.14    SIDE CHAIN
+REMARK 500    ASP B  52         0.19    SIDE CHAIN
+REMARK 500    HIS B  63         0.11    SIDE CHAIN
+REMARK 500    ASP B  79         0.11    SIDE CHAIN
+REMARK 500    ASN B  80         0.20    SIDE CHAIN
+REMARK 500    GLU B  90         0.15    SIDE CHAIN
+REMARK 500    ARG B 104         0.39    SIDE CHAIN
+REMARK 500    HIS B 117         0.22    SIDE CHAIN
+REMARK 500    PHE B 118         0.13    SIDE CHAIN
+REMARK 500    GLU B 121         0.26    SIDE CHAIN
+REMARK 500    HIS B 143         0.10    SIDE CHAIN
+REMARK 500    HIS B 146         0.31    SIDE CHAIN
+REMARK 500    ASN C   9         0.08    SIDE CHAIN
+REMARK 500    HIS C  20         0.14    SIDE CHAIN
+REMARK 500    GLU C  23         0.30    SIDE CHAIN
+REMARK 500    HIS C  45         0.10    SIDE CHAIN
+REMARK 500    PHE C  46         0.10    SIDE CHAIN
+REMARK 500    ASP C  47         0.15    SIDE CHAIN
+REMARK 500    ASP C  64         0.08    SIDE CHAIN
+REMARK 500    ASP C  75         0.07    SIDE CHAIN
+REMARK 500    ASN C  78         0.11    SIDE CHAIN
+REMARK 500    ARG C  92         0.20    SIDE CHAIN
+REMARK 500    GLU C 116         0.09    SIDE CHAIN
+REMARK 500    ASP C 126         0.11    SIDE CHAIN
+REMARK 500    ARG C 141         0.08    SIDE CHAIN
+REMARK 500    HIS D   2         0.10    SIDE CHAIN
+REMARK 500    GLU D   6         0.17    SIDE CHAIN
+REMARK 500    GLU D   7         0.10    SIDE CHAIN
+REMARK 500    ASN D  19         0.38    SIDE CHAIN
+REMARK 500    ASP D  21         0.18    SIDE CHAIN
+REMARK 500
+REMARK 500 THIS ENTRY HAS      71 PLANE DEVIATIONS.
+REMARK 500
+REMARK 500 REMARK: NULL
+REMARK 500
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
+REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY
+REMARK 500
+REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY
+REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER
+REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;
+REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
+REMARK 500 I=INSERTION CODE).
+REMARK 500
+REMARK 500  M RES CSSEQI        ANGLE
+REMARK 500    VAL A   1        -12.66
+REMARK 500    SER A   3        -13.96
+REMARK 500    PRO A   4        -17.06
+REMARK 500    ASN A   9         10.02
+REMARK 500    LYS A  11        -14.58
+REMARK 500    ALA A  12        -29.94
+REMARK 500    GLY A  15         25.08
+REMARK 500    ALA A  19        -16.87
+REMARK 500    ALA A  21         26.61
+REMARK 500    GLY A  22         15.67
+REMARK 500    THR A  41         10.65
+REMARK 500    PHE A  46        -10.97
+REMARK 500    LEU A  48        -25.01
+REMARK 500    SER A  52        -10.23
+REMARK 500    LYS A  56         14.67
+REMARK 500    GLY A  59        -10.71
+REMARK 500    LYS A  61        -11.09
+REMARK 500    ALA A  63        -17.65
+REMARK 500    ASP A  74         18.25
+REMARK 500    ASP A  75        -17.03
+REMARK 500    MET A  76        -10.23
+REMARK 500    ASN A  78        -10.93
+REMARK 500    SER A  81        -10.91
+REMARK 500    ALA A  82         11.29
+REMARK 500    LEU A  83        -10.53
+REMARK 500    ASP A  85        -12.19
+REMARK 500    ALA A  88         11.87
+REMARK 500    LYS A  90        -14.75
+REMARK 500    ASN A  97        -10.48
+REMARK 500    LYS A  99        -15.40
+REMARK 500    LEU A 101        -10.99
+REMARK 500    LEU A 106        -10.02
+REMARK 500    ALA A 111         10.63
+REMARK 500    PRO A 114        -12.36
+REMARK 500    THR A 118        -18.84
+REMARK 500    HIS A 122         17.52
+REMARK 500    VAL B   1         34.93
+REMARK 500    LEU B   3         14.19
+REMARK 500    THR B   4        -16.98
+REMARK 500    GLU B   7         12.85
+REMARK 500    LEU B  14         12.16
+REMARK 500    ASP B  21        -10.62
+REMARK 500    THR B  38         14.87
+REMARK 500    GLU B  43        -24.15
+REMARK 500    SER B  44         54.71
+REMARK 500    ASP B  47         16.37
+REMARK 500    SER B  49        -74.55
+REMARK 500    GLY B  56        -31.39
+REMARK 500    LYS B  59        -12.59
+REMARK 500    VAL B  60         10.98
+REMARK 500
+REMARK 500 THIS ENTRY HAS     130 MAIN CHAIN PLANARITY DEVIATIONS.
+REMARK 500
+REMARK 500 REMARK: NULL
+REMARK 610
+REMARK 610 MISSING HETEROATOM
+REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
+REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
+REMARK 610 I=INSERTION CODE):
+REMARK 610   M RES C SSEQI
+REMARK 610     PO4 B  147
+REMARK 610     PO4 D  147
+REMARK 620
+REMARK 620 METAL COORDINATION
+REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
+REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
+REMARK 620
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
+REMARK 620                             HEM A 142  FE
+REMARK 620 N RES CSSEQI ATOM
+REMARK 620 1 HIS A  87   NE2
+REMARK 620 2 HEM A 142   NA  100.9
+REMARK 620 3 HEM A 142   NB  100.3  86.2
+REMARK 620 4 HEM A 142   NC  104.6 154.5  88.3
+REMARK 620 5 HEM A 142   ND  106.5  90.3 153.2  83.5
+REMARK 620 N                    1     2     3     4
+REMARK 620
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
+REMARK 620                             HEM B 148  FE
+REMARK 620 N RES CSSEQI ATOM
+REMARK 620 1 HIS B  92   NE2
+REMARK 620 2 HEM B 148   NA   97.7
+REMARK 620 3 HEM B 148   NB   97.1  88.7
+REMARK 620 4 HEM B 148   NC  104.0 158.3  90.0
+REMARK 620 5 HEM B 148   ND  103.6  91.0 159.1  82.6
+REMARK 620 N                    1     2     3     4
+REMARK 620
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
+REMARK 620                             HEM C 142  FE
+REMARK 620 N RES CSSEQI ATOM
+REMARK 620 1 HIS C  87   NE2
+REMARK 620 2 HEM C 142   NA   92.2
+REMARK 620 3 HEM C 142   NB   93.3  83.8
+REMARK 620 4 HEM C 142   NC  105.8 162.0  94.8
+REMARK 620 5 HEM C 142   ND  103.5  88.9 161.9  87.1
+REMARK 620 N                    1     2     3     4
+REMARK 620
+REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
+REMARK 620                             HEM D 148  FE
+REMARK 620 N RES CSSEQI ATOM
+REMARK 620 1 HIS D  92   NE2
+REMARK 620 2 HEM D 148   NA   90.2
+REMARK 620 3 HEM D 148   NB  102.2  88.3
+REMARK 620 4 HEM D 148   NC  109.1 160.5  84.5
+REMARK 620 5 HEM D 148   ND   97.7  89.1 159.9  91.4
+REMARK 620 N                    1     2     3     4
+REMARK 800
+REMARK 800 SITE
+REMARK 800 SITE_IDENTIFIER: AC1
+REMARK 800 EVIDENCE_CODE: SOFTWARE
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 D 147
+REMARK 800
+REMARK 800 SITE_IDENTIFIER: AC2
+REMARK 800 EVIDENCE_CODE: SOFTWARE
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 B 147
+REMARK 800
+REMARK 800 SITE_IDENTIFIER: AC3
+REMARK 800 EVIDENCE_CODE: SOFTWARE
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 142
+REMARK 800
+REMARK 800 SITE_IDENTIFIER: AC4
+REMARK 800 EVIDENCE_CODE: SOFTWARE
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM B 148
+REMARK 800
+REMARK 800 SITE_IDENTIFIER: AC5
+REMARK 800 EVIDENCE_CODE: SOFTWARE
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM C 142
+REMARK 800
+REMARK 800 SITE_IDENTIFIER: AC6
+REMARK 800 EVIDENCE_CODE: SOFTWARE
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM D 148
+REMARK 900
+REMARK 900 RELATED ENTRIES
+REMARK 900 RELATED ID: 2HHB   RELATED DB: PDB
+REMARK 900 REFINED BY THE METHOD OF JACK AND LEVITT. THIS ENTRY PRESENTS THE
+REMARK 900 BEST ESTIMATE OF THE COORDINATES.
+REMARK 900 RELATED ID: 3HHB   RELATED DB: PDB
+REMARK 900 SYMMETRY AVERAGED ABOUT THE (NON-CRYSTALLOGRAPHIC) MOLECULAR AXIS
+REMARK 900 AND THEN RE-REGULARIZED BY THE ENERGY REFINEMENT METHOD OF LEVITT.
+REMARK 900 THIS ENTRY PRESENTS COORDINATES THAT ARE ADEQUATE FOR MOST PURPOSES,
+REMARK 900 SUCH AS COMPARISON WITH OTHER STRUCTURES.
+REMARK 900 RELATED ID: 1GLI   RELATED DB: PDB
+DBREF  4HHB A    1   141  UNP    P69905   HBA_HUMAN        2    142
+DBREF  4HHB B    1   146  UNP    P68871   HBB_HUMAN        2    147
+DBREF  4HHB C    1   141  UNP    P69905   HBA_HUMAN        2    142
+DBREF  4HHB D    1   146  UNP    P68871   HBB_HUMAN        2    147
+SEQRES   1 A  141  VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA
+SEQRES   2 A  141  TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA
+SEQRES   3 A  141  GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR
+SEQRES   4 A  141  LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER
+SEQRES   5 A  141  ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA
+SEQRES   6 A  141  LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN
+SEQRES   7 A  141  ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU
+SEQRES   8 A  141  ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS
+SEQRES   9 A  141  LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE
+SEQRES  10 A  141  THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA
+SEQRES  11 A  141  SER VAL SER THR VAL LEU THR SER LYS TYR ARG
+SEQRES   1 B  146  VAL HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA
+SEQRES   2 B  146  LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU
+SEQRES   3 B  146  ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TRP THR GLN
+SEQRES   4 B  146  ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP
+SEQRES   5 B  146  ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS
+SEQRES   6 B  146  LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU
+SEQRES   7 B  146  ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU
+SEQRES   8 B  146  HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG
+SEQRES   9 B  146  LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS
+SEQRES  10 B  146  PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR
+SEQRES  11 B  146  GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS
+SEQRES  12 B  146  LYS TYR HIS
+SEQRES   1 C  141  VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA
+SEQRES   2 C  141  TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA
+SEQRES   3 C  141  GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR
+SEQRES   4 C  141  LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER
+SEQRES   5 C  141  ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA
+SEQRES   6 C  141  LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN
+SEQRES   7 C  141  ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU
+SEQRES   8 C  141  ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS
+SEQRES   9 C  141  LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE
+SEQRES  10 C  141  THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA
+SEQRES  11 C  141  SER VAL SER THR VAL LEU THR SER LYS TYR ARG
+SEQRES   1 D  146  VAL HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA
+SEQRES   2 D  146  LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU
+SEQRES   3 D  146  ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TRP THR GLN
+SEQRES   4 D  146  ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP
+SEQRES   5 D  146  ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS
+SEQRES   6 D  146  LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU
+SEQRES   7 D  146  ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU
+SEQRES   8 D  146  HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG
+SEQRES   9 D  146  LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS
+SEQRES  10 D  146  PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR
+SEQRES  11 D  146  GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS
+SEQRES  12 D  146  LYS TYR HIS
+HET    HEM  A 142      43
+HET    PO4  B 147       1
+HET    HEM  B 148      43
+HET    HEM  C 142      43
+HET    PO4  D 147       1
+HET    HEM  D 148      43
+HETNAM     HEM PROTOPORPHYRIN IX CONTAINING FE
+HETNAM     PO4 PHOSPHATE ION
+HETSYN     HEM HEME
+FORMUL   5  HEM    4(C34 H32 FE N4 O4)
+FORMUL   6  PO4    2(O4 P 3-)
+FORMUL  11  HOH   *221(H2 O)
+HELIX    1  AA SER A    3  GLY A   18  1                                  16
+HELIX    2  AB HIS A   20  SER A   35  1                                  16
+HELIX    3  AC PHE A   36  TYR A   42  1                                   7
+HELIX    4  AD HIS A   50  GLY A   51  1DEGEN 2 RES HLX RETAIN HOMOL       2
+HELIX    5  AE SER A   52  ALA A   71  1                                  20
+HELIX    6  AF LEU A   80  ALA A   88  1                                   9
+HELIX    7  AG ASP A   94  HIS A  112  1                                  19
+HELIX    8  AH THR A  118  SER A  138  1                                  21
+HELIX    9  BA THR B    4  VAL B   18  1                                  15
+HELIX   10  BB ASN B   19  VAL B   34  1                                  16
+HELIX   11  BC TYR B   35  PHE B   41  1                                   7
+HELIX   12  BD THR B   50  GLY B   56  1                                   7
+HELIX   13  BE ASN B   57  ALA B   76  1                                  20
+HELIX   14  BF PHE B   85  CYS B   93  1                                   9
+HELIX   15  BG ASP B   99  HIS B  117  1                                  19
+HELIX   16  BH THR B  123  HIS B  143  1                                  21
+HELIX   17  CA SER C    3  GLY C   18  1                                  16
+HELIX   18  CB HIS C   20  SER C   35  1                                  16
+HELIX   19  CC PHE C   36  TYR C   42  1                                   7
+HELIX   20  CD HIS C   50  GLY C   51  1DEGEN 2 RES HLX RETAIN HOMOL       2
+HELIX   21  CE SER C   52  ALA C   71  1                                  20
+HELIX   22  CF LEU C   80  ALA C   88  1                                   9
+HELIX   23  CG ASP C   94  HIS C  112  1                                  19
+HELIX   24  CH THR C  118  SER C  138  1                                  21
+HELIX   25  DA THR D    4  VAL D   18  1                                  15
+HELIX   26  DB ASN D   19  VAL D   34  1                                  16
+HELIX   27  DC TYR D   35  PHE D   41  1                                   7
+HELIX   28  DD THR D   50  GLY D   56  1                                   7
+HELIX   29  DE ASN D   57  ALA D   76  1                                  20
+HELIX   30  DF PHE D   85  CYS D   93  1                                   9
+HELIX   31  DG ASP D   99  HIS D  117  1                                  19
+HELIX   32  DH THR D  123  HIS D  143  1                                  21
+LINK         NE2 HIS A  87                FE   HEM A 142     1555   1555  2.14
+LINK         NE2 HIS B  92                FE   HEM B 148     1555   1555  2.22
+LINK         NE2 HIS C  87                FE   HEM C 142     1555   1555  2.26
+LINK         NE2 HIS D  92                FE   HEM D 148     1555   1555  1.98
+SITE     1 AC1  1 VAL D   1
+SITE     1 AC2  1 HOH B 197
+SITE     1 AC3 16 TYR A  42  PHE A  43  HIS A  45  PHE A  46
+SITE     2 AC3 16 HIS A  58  LYS A  61  LEU A  86  HIS A  87
+SITE     3 AC3 16 LEU A  91  VAL A  93  ASN A  97  PHE A  98
+SITE     4 AC3 16 LEU A 101  LEU A 136  HOH A 144  HOH A 159
+SITE     1 AC4 13 ALA A  53  HOH A 145  PHE B  41  HIS B  63
+SITE     2 AC4 13 LYS B  66  VAL B  67  HIS B  92  LEU B  96
+SITE     3 AC4 13 ASN B 102  PHE B 103  LEU B 141  HOH B 175
+SITE     4 AC4 13 HOH B 193
+SITE     1 AC5 15 TYR C  42  PHE C  43  HIS C  45  HIS C  58
+SITE     2 AC5 15 LYS C  61  LEU C  83  LEU C  86  HIS C  87
+SITE     3 AC5 15 LEU C  91  VAL C  93  ASN C  97  PHE C  98
+SITE     4 AC5 15 LEU C 136  HOH C 149  HOH C 164
+SITE     1 AC6  7 HIS D  63  LYS D  66  VAL D  67  HIS D  92
+SITE     2 AC6  7 LEU D  96  ASN D 102  LEU D 141
+CRYST1   63.150   83.590   53.800  90.00  99.34  90.00 P 1 21 1      4
+ORIGX1      0.963457  0.136613  0.230424       16.61000
+ORIGX2     -0.158977  0.983924  0.081383       13.72000
+ORIGX3     -0.215598 -0.115048  0.969683       37.65000
+SCALE1      0.015462  0.002192  0.003698        0.26656
+SCALE2     -0.001902  0.011771  0.000974        0.16413
+SCALE3     -0.001062 -0.001721  0.018728        0.75059
+MTRIX1   1 -1.000000  0.000000  0.000000        0.00001    1
+MTRIX2   1  0.000000  1.000000  0.000000        0.00002    1
+MTRIX3   1  0.000000  0.000000 -1.000000        0.00002    1
+ATOM      1  N   VAL A   1       6.204  16.869   4.854  1.00 49.05           N
+ATOM      2  CA  VAL A   1       6.913  17.759   4.607  1.00 43.14           C
+ATOM      3  C   VAL A   1       8.504  17.378   4.797  1.00 24.80           C
+ATOM      4  O   VAL A   1       8.805  17.011   5.943  1.00 37.68           O
+ATOM      5  CB  VAL A   1       6.369  19.044   5.810  1.00 72.12           C
+ATOM      6  CG1 VAL A   1       7.009  20.127   5.418  1.00 61.79           C
+ATOM      7  CG2 VAL A   1       5.246  18.533   5.681  1.00 80.12           C
+ATOM      8  N   LEU A   2       9.096  18.040   3.857  1.00 26.44           N
+ATOM      9  CA  LEU A   2      10.600  17.889   4.283  1.00 26.32           C
+ATOM     10  C   LEU A   2      11.265  19.184   5.297  1.00 32.96           C
+ATOM     11  O   LEU A   2      10.813  20.177   4.647  1.00 31.90           O
+ATOM     12  CB  LEU A   2      11.099  18.007   2.815  1.00 29.23           C
+ATOM     13  CG  LEU A   2      11.322  16.956   1.934  1.00 37.71           C
+ATOM     14  CD1 LEU A   2      11.468  15.596   2.337  1.00 39.10           C
+ATOM     15  CD2 LEU A   2      11.423  17.268   0.300  1.00 37.47           C
+ATOM     16  N   SER A   3      11.584  18.730   6.148  1.00 28.01           N
+ATOM     17  CA  SER A   3      12.263  19.871   7.087  1.00 26.03           C
+ATOM     18  C   SER A   3      13.304  20.329   6.300  1.00 25.99           C
+ATOM     19  O   SER A   3      14.085  19.818   5.364  1.00 25.98           O
+ATOM     20  CB  SER A   3      12.744  19.045   8.223  1.00 23.41           C
+ATOM     21  OG  SER A   3      13.781  18.286   8.179  1.00 30.00           O
+ATOM     22  N   PRO A   4      14.196  21.422   7.097  1.00 37.49           N
+ATOM     23  CA  PRO A   4      15.048  21.890   6.206  1.00 38.81           C
+ATOM     24  C   PRO A   4      16.464  21.282   6.288  1.00 25.63           C
+ATOM     25  O   PRO A   4      17.212  20.899   5.409  1.00 34.38           O
+ATOM     26  CB  PRO A   4      15.814  23.113   7.166  1.00 50.44           C
+ATOM     27  CG  PRO A   4      14.493  23.536   7.638  1.00 43.42           C
+ATOM     28  CD  PRO A   4      13.298  22.523   7.651  1.00 42.77           C
+ATOM     29  N   ALA A   5      16.399  20.279   7.524  1.00 24.33           N
+ATOM     30  CA  ALA A   5      17.552  19.622   7.588  1.00 24.06           C
+ATOM     31  C   ALA A   5      17.376  18.283   6.601  1.00 20.01           C
+ATOM     32  O   ALA A   5      18.422  17.849   6.010  1.00 24.46           O
+ATOM     33  CB  ALA A   5      17.454  18.830   9.164  1.00 28.15           C
+ATOM     34  N   ASP A   6      16.050  17.799   6.298  1.00 21.19           N
+ATOM     35  CA  ASP A   6      15.881  16.887   5.120  1.00 23.14           C
+ATOM     36  C   ASP A   6      16.573  17.497   3.915  1.00 15.75           C
+ATOM     37  O   ASP A   6      17.240  16.611   3.235  1.00 18.92           O
+ATOM     38  CB  ASP A   6      14.530  16.515   4.983  1.00 18.68           C
+ATOM     39  CG  ASP A   6      13.966  15.638   6.125  1.00 21.70           C
+ATOM     40  OD1 ASP A   6      14.573  14.751   6.678  1.00 19.76           O
+ATOM     41  OD2 ASP A   6      12.734  15.931   6.321  1.00 21.26           O
+ATOM     42  N   LYS A   7      16.082  18.800   3.719  1.00 15.62           N
+ATOM     43  CA  LYS A   7      16.897  19.255   2.400  1.00 26.74           C
+ATOM     44  C   LYS A   7      18.354  19.319   2.072  1.00 24.82           C
+ATOM     45  O   LYS A   7      18.858  18.855   1.145  1.00 21.36           O
+ATOM     46  CB  LYS A   7      16.022  20.503   2.054  1.00 28.73           C
+ATOM     47  CG  LYS A   7      14.518  20.443   2.287  1.00 34.11           C
+ATOM     48  CD  LYS A   7      13.833  21.967   2.124  1.00 46.50           C
+ATOM     49  CE  LYS A   7      12.524  21.830   2.733  1.00 40.75           C
+ATOM     50  NZ  LYS A   7      12.310  23.286   2.231  1.00 50.05           N
+ATOM     51  N   THR A   8      18.879  19.583   3.554  1.00 20.80           N
+ATOM     52  CA  THR A   8      20.359  19.452   3.495  1.00 23.21           C
+ATOM     53  C   THR A   8      21.000  18.322   3.125  1.00 17.85           C
+ATOM     54  O   THR A   8      21.907  17.957   2.500  1.00 20.04           O
+ATOM     55  CB  THR A   8      20.762  20.269   4.939  1.00 31.90           C
+ATOM     56  OG1 THR A   8      20.363  21.458   4.886  1.00 31.01           O
+ATOM     57  CG2 THR A   8      22.026  20.115   4.978  1.00 43.78           C
+ATOM     58  N   ASN A   9      20.249  17.203   3.818  1.00 16.13           N
+ATOM     59  CA  ASN A   9      20.591  15.889   3.728  1.00 17.84           C
+ATOM     60  C   ASN A   9      20.630  15.286   2.184  1.00 14.45           C
+ATOM     61  O   ASN A   9      21.319  14.475   1.822  1.00 21.78           O
+ATOM     62  CB  ASN A   9      19.836  14.946   4.644  1.00 20.10           C
+ATOM     63  CG  ASN A   9      20.193  15.272   6.089  1.00 34.82           C
+ATOM     64  OD1 ASN A   9      21.294  15.680   6.444  1.00 26.93           O
+ATOM     65  ND2 ASN A   9      19.527  14.719   6.950  1.00 28.08           N
+ATOM     66  N   VAL A  10      19.435  15.546   1.583  1.00 19.64           N
+ATOM     67  CA  VAL A  10      19.157  15.110   0.179  1.00 13.04           C
+ATOM     68  C   VAL A  10      20.341  15.904  -0.719  1.00 18.71           C
+ATOM     69  O   VAL A  10      20.832  15.221  -1.618  1.00 22.34           O
+ATOM     70  CB  VAL A  10      17.776  15.394  -0.119  1.00 19.07           C
+ATOM     71  CG1 VAL A  10      17.623  15.138  -1.549  1.00 21.59           C
+ATOM     72  CG2 VAL A  10      16.816  14.756   0.575  1.00 22.75           C
+ATOM     73  N   LYS A  11      20.392  17.201  -0.404  1.00 18.31           N
+ATOM     74  CA  LYS A  11      21.297  18.030  -1.415  1.00 24.80           C
+ATOM     75  C   LYS A  11      22.762  17.451  -1.066  1.00 19.51           C
+ATOM     76  O   LYS A  11      23.584  17.190  -2.069  1.00 22.33           O
+ATOM     77  CB  LYS A  11      21.334  19.381  -1.059  1.00 39.77           C
+ATOM     78  CG  LYS A  11      20.229  20.052  -1.350  1.00 34.41           C
+ATOM     79  CD  LYS A  11      20.256  21.365  -1.389  1.00 46.95           C
+ATOM     80  CE  LYS A  11      18.633  21.891  -2.358  1.00 49.55           C
+ATOM     81  NZ  LYS A  11      18.398  23.088  -1.720  1.00 78.67           N
+ATOM     82  N   ALA A  12      23.031  16.766   0.069  1.00 20.60           N
+ATOM     83  CA  ALA A  12      24.347  16.671  -0.059  1.00 25.98           C
+ATOM     84  C   ALA A  12      24.529  15.278  -0.129  1.00 38.04           C
+ATOM     85  O   ALA A  12      25.505  14.711  -1.045  1.00 31.19           O
+ATOM     86  CB  ALA A  12      24.641  16.359   1.529  1.00 28.13           C
+ATOM     87  N   ALA A  13      23.581  14.281  -0.261  1.00 21.69           N
+ATOM     88  CA  ALA A  13      23.822  13.010  -0.701  1.00 19.11           C
+ATOM     89  C   ALA A  13      23.807  12.890  -2.423  1.00 22.93           C
+ATOM     90  O   ALA A  13      24.517  12.116  -2.938  1.00 24.98           O
+ATOM     91  CB  ALA A  13      22.612  12.109  -0.160  1.00 23.17           C
+ATOM     92  N   TRP A  14      22.807  13.763  -2.832  1.00 22.14           N
+ATOM     93  CA  TRP A  14      22.715  13.681  -4.311  1.00 21.27           C
+ATOM     94  C   TRP A  14      24.007  14.453  -5.015  1.00 28.97           C
+ATOM     95  O   TRP A  14      24.452  13.999  -6.086  1.00 27.61           O
+ATOM     96  CB  TRP A  14      21.129  14.484  -4.728  1.00 29.00           C
+ATOM     97  CG  TRP A  14      21.116  13.951  -5.830  1.00 25.79           C
+ATOM     98  CD1 TRP A  14      21.182  14.904  -7.199  1.00 22.38           C
+ATOM     99  CD2 TRP A  14      20.358  12.768  -6.306  1.00 20.46           C
+ATOM    100  NE1 TRP A  14      20.545  13.886  -8.152  1.00 29.74           N
+ATOM    101  CE2 TRP A  14      20.127  12.855  -7.917  1.00 27.75           C
+ATOM    102  CE3 TRP A  14      19.993  11.556  -5.760  1.00 34.00           C
+ATOM    103  CZ2 TRP A  14      19.685  11.924  -8.428  1.00 34.81           C
+ATOM    104  CZ3 TRP A  14      19.443  10.605  -6.677  1.00 42.11           C
+ATOM    105  CH2 TRP A  14      19.361  10.910  -7.988  1.00 47.54           C
+ATOM    106  N   GLY A  15      24.563  15.294  -4.064  1.00 40.92           N
+ATOM    107  CA  GLY A  15      25.545  16.032  -4.810  1.00 38.97           C
+ATOM    108  C   GLY A  15      26.606  14.720  -4.643  1.00 34.61           C
+ATOM    109  O   GLY A  15      27.532  14.956  -6.011  1.00 36.24           O
+ATOM    110  N   LYS A  16      27.023  14.192  -4.019  1.00 35.37           N
+ATOM    111  CA  LYS A  16      27.691  12.809  -3.990  1.00 29.09           C
+ATOM    112  C   LYS A  16      27.692  11.980  -5.322  1.00 27.28           C
+ATOM    113  O   LYS A  16      28.444  11.335  -5.752  1.00 36.62           O
+ATOM    114  CB  LYS A  16      27.773  11.881  -2.758  1.00 30.47           C
+ATOM    115  CG  LYS A  16      29.128  10.897  -2.949  1.00 47.02           C
+ATOM    116  CD  LYS A  16      30.512  12.265  -2.454  1.00 66.41           C
+ATOM    117  CE  LYS A  16      31.160  10.590  -3.127  1.00 65.00           C
+ATOM    118  NZ  LYS A  16      31.293   9.343  -2.468  1.00 69.28           N
+ATOM    119  N   VAL A  17      26.231  11.894  -5.716  1.00 40.63           N
+ATOM    120  CA  VAL A  17      25.763  11.093  -6.580  1.00 32.19           C
+ATOM    121  C   VAL A  17      26.644  11.417  -8.297  1.00 51.53           C
+ATOM    122  O   VAL A  17      27.090  10.850  -8.486  1.00 36.95           O
+ATOM    123  CB  VAL A  17      24.455  10.688  -6.704  1.00 24.77           C
+ATOM    124  CG1 VAL A  17      24.024  10.418  -8.088  1.00 21.73           C
+ATOM    125  CG2 VAL A  17      23.718   9.922  -5.546  1.00 23.90           C
+ATOM    126  N   GLY A  18      26.340  12.947  -7.963  1.00 36.07           N
+ATOM    127  CA  GLY A  18      27.063  13.723  -8.931  1.00 37.64           C
+ATOM    128  C   GLY A  18      26.574  12.969 -10.560  1.00 27.84           C
+ATOM    129  O   GLY A  18      25.253  13.110 -10.707  1.00 34.16           O
+ATOM    130  N   ALA A  19      27.657  12.515 -11.022  1.00 35.70           N
+ATOM    131  CA  ALA A  19      27.728  12.613 -12.429  1.00 37.59           C
+ATOM    132  C   ALA A  19      27.500  10.976 -12.552  1.00 34.69           C
+ATOM    133  O   ALA A  19      27.084  10.420 -13.842  1.00 48.59           O
+ATOM    134  CB  ALA A  19      29.012  12.664 -13.280  1.00 46.19           C
+ATOM    135  N   HIS A  20      27.156  10.119 -11.606  1.00 20.24           N
+ATOM    136  CA  HIS A  20      26.883   8.665 -11.713  1.00 19.03           C
+ATOM    137  C   HIS A  20      25.297   8.749 -11.742  1.00 17.82           C
+ATOM    138  O   HIS A  20      24.744   7.547 -11.745  1.00 20.59           O
+ATOM    139  CB  HIS A  20      27.211   8.007 -10.561  1.00 31.92           C
+ATOM    140  CG  HIS A  20      28.495   7.629 -10.284  1.00 45.35           C
+ATOM    141  ND1 HIS A  20      29.488   7.023 -11.531  1.00 52.86           N
+ATOM    142  CD2 HIS A  20      29.445   8.698  -9.743  1.00 43.12           C
+ATOM    143  CE1 HIS A  20      30.546   7.246 -10.801  1.00 68.75           C
+ATOM    144  NE2 HIS A  20      30.729   7.865 -10.003  1.00 55.89           N
+ATOM    145  N   ALA A  21      24.687   9.784 -11.799  1.00 29.55           N
+ATOM    146  CA  ALA A  21      23.159   9.917 -11.488  1.00 29.36           C
+ATOM    147  C   ALA A  21      22.579   8.284 -12.650  1.00 46.23           C
+ATOM    148  O   ALA A  21      21.659   8.109 -12.129  1.00 27.88           O
+ATOM    149  CB  ALA A  21      22.561  11.174 -11.335  1.00 28.64           C
+ATOM    150  N   GLY A  22      22.741   9.029 -13.713  1.00 27.74           N
+ATOM    151  CA  GLY A  22      22.302   7.955 -14.644  1.00 29.10           C
+ATOM    152  C   GLY A  22      22.405   6.768 -14.523  1.00 40.30           C
+ATOM    153  O   GLY A  22      21.884   5.714 -14.971  1.00 33.08           O
+ATOM    154  N   GLU A  23      23.751   6.163 -14.331  1.00 22.76           N
+ATOM    155  CA  GLU A  23      24.084   4.748 -14.144  1.00 14.60           C
+ATOM    156  C   GLU A  23      23.211   4.210 -12.893  1.00 13.41           C
+ATOM    157  O   GLU A  23      22.937   3.039 -12.842  1.00 16.24           O
+ATOM    158  CB  GLU A  23      25.664   4.939 -13.797  1.00 20.16           C
+ATOM    159  CG  GLU A  23      26.201   3.519 -13.776  1.00 40.65           C
+ATOM    160  CD  GLU A  23      28.243   3.900 -13.483  1.00 70.75           C
+ATOM    161  OE1 GLU A  23      27.931   3.380 -11.875  1.00 57.57           O
+ATOM    162  OE2 GLU A  23      28.452   5.212 -13.971  1.00 57.46           O
+ATOM    163  N   TYR A  24      23.179   5.044 -11.863  1.00 18.60           N
+ATOM    164  CA  TYR A  24      22.505   4.593 -10.679  1.00 26.35           C
+ATOM    165  C   TYR A  24      21.016   4.562 -11.095  1.00 17.67           C
+ATOM    166  O   TYR A  24      20.360   3.603 -10.478  1.00 17.15           O
+ATOM    167  CB  TYR A  24      22.464   5.807  -9.581  1.00 21.47           C
+ATOM    168  CG  TYR A  24      23.992   5.643  -8.868  1.00 17.94           C
+ATOM    169  CD1 TYR A  24      24.282   6.445  -7.897  1.00 25.54           C
+ATOM    170  CD2 TYR A  24      24.950   4.858  -9.353  1.00 18.41           C
+ATOM    171  CE1 TYR A  24      25.677   6.369  -7.422  1.00 27.77           C
+ATOM    172  CE2 TYR A  24      26.305   4.768  -8.960  1.00 24.84           C
+ATOM    173  CZ  TYR A  24      26.528   5.702  -7.748  1.00 28.92           C
+ATOM    174  OH  TYR A  24      27.827   5.849  -7.564  1.00 33.79           O
+ATOM    175  N   GLY A  25      20.378   5.478 -11.759  1.00 17.58           N
+ATOM    176  CA  GLY A  25      19.016   5.420 -12.390  1.00 16.95           C
+ATOM    177  C   GLY A  25      18.833   4.130 -12.941  1.00 12.93           C
+ATOM    178  O   GLY A  25      17.819   3.343 -12.872  1.00 14.53           O
+ATOM    179  N   ALA A  26      19.615   3.604 -13.915  1.00 15.78           N
+ATOM    180  CA  ALA A  26      19.582   2.579 -14.539  1.00 18.05           C
+ATOM    181  C   ALA A  26      19.480   1.089 -13.772  1.00 13.38           C
+ATOM    182  O   ALA A  26      18.901   0.084 -13.805  1.00 13.68           O
+ATOM    183  CB  ALA A  26      20.556   2.124 -15.501  1.00 21.17           C
+ATOM    184  N   GLU A  27      20.535   1.124 -12.715  1.00 13.26           N
+ATOM    185  CA  GLU A  27      20.575   0.021 -11.753  1.00 15.73           C
+ATOM    186  C   GLU A  27      19.308  -0.043 -10.886  1.00  9.69           C
+ATOM    187  O   GLU A  27      18.918  -1.164 -10.735  1.00 13.70           O
+ATOM    188  CB  GLU A  27      21.903   0.397 -10.962  1.00 17.47           C
+ATOM    189  CG  GLU A  27      21.998  -0.702  -9.888  1.00 16.72           C
+ATOM    190  CD  GLU A  27      23.378  -0.554  -8.914  1.00 28.34           C
+ATOM    191  OE1 GLU A  27      23.164  -0.938  -7.844  1.00 20.53           O
+ATOM    192  OE2 GLU A  27      24.282   0.068  -9.385  1.00 20.32           O
+ATOM    193  N   ALA A  28      18.802   1.101 -10.459  1.00 11.71           N
+ATOM    194  CA  ALA A  28      17.589   1.092  -9.707  1.00 14.08           C
+ATOM    195  C   ALA A  28      16.437   0.281 -10.410  1.00 18.50           C
+ATOM    196  O   ALA A  28      15.609  -0.358 -10.010  1.00 12.43           O
+ATOM    197  CB  ALA A  28      17.166   2.432  -9.252  1.00 19.09           C
+ATOM    198  N   LEU A  29      16.400   0.918 -11.698  1.00 12.19           N
+ATOM    199  CA  LEU A  29      15.328   0.075 -12.594  1.00 17.48           C
+ATOM    200  C   LEU A  29      15.559  -1.439 -12.734  1.00  9.74           C
+ATOM    201  O   LEU A  29      14.606  -2.189 -12.644  1.00 10.80           O
+ATOM    202  CB  LEU A  29      15.302   0.859 -14.203  1.00 12.13           C
+ATOM    203  CG  LEU A  29      14.894   2.291 -14.067  1.00 14.66           C
+ATOM    204  CD1 LEU A  29      15.261   2.690 -15.515  1.00 16.80           C
+ATOM    205  CD2 LEU A  29      13.402   2.225 -13.944  1.00 18.58           C
+ATOM    206  N   GLU A  30      16.843  -1.859 -13.083  1.00  9.20           N
+ATOM    207  CA  GLU A  30      17.065  -3.260 -13.067  1.00 11.66           C
+ATOM    208  C   GLU A  30      16.682  -4.043 -11.806  1.00 13.48           C
+ATOM    209  O   GLU A  30      16.222  -5.112 -11.842  1.00 17.00           O
+ATOM    210  CB  GLU A  30      18.445  -3.450 -13.556  1.00 19.11           C
+ATOM    211  CG  GLU A  30      18.613  -4.789 -13.421  1.00 27.23           C
+ATOM    212  CD  GLU A  30      20.397  -5.050 -14.290  1.00 43.77           C
+ATOM    213  OE1 GLU A  30      21.034  -4.018 -14.191  1.00 45.21           O
+ATOM    214  OE2 GLU A  30      20.320  -6.204 -14.925  1.00 45.13           O
+ATOM    215  N   ARG A  31      17.074  -3.325 -10.709  1.00 11.70           N
+ATOM    216  CA  ARG A  31      16.706  -3.885  -9.384  1.00 13.69           C
+ATOM    217  C   ARG A  31      15.116  -4.077  -9.266  1.00 13.95           C
+ATOM    218  O   ARG A  31      14.772  -5.201  -8.729  1.00 16.42           O
+ATOM    219  CB  ARG A  31      17.207  -3.143  -8.212  1.00  9.32           C
+ATOM    220  CG  ARG A  31      18.786  -3.298  -8.162  1.00 14.85           C
+ATOM    221  CD  ARG A  31      19.223  -2.383  -7.101  1.00 20.12           C
+ATOM    222  NE  ARG A  31      20.863  -2.372  -6.759  1.00 14.83           N
+ATOM    223  CZ  ARG A  31      21.361  -3.431  -6.210  1.00 13.22           C
+ATOM    224  NH1 ARG A  31      20.746  -4.460  -5.716  1.00 11.40           N
+ATOM    225  NH2 ARG A  31      22.719  -3.344  -6.301  1.00 17.34           N
+ATOM    226  N   MET A  32      14.439  -3.020  -9.681  1.00 11.37           N
+ATOM    227  CA  MET A  32      13.032  -3.139  -9.600  1.00 10.16           C
+ATOM    228  C   MET A  32      12.471  -4.206 -10.484  1.00 12.10           C
+ATOM    229  O   MET A  32      11.562  -5.027 -10.075  1.00 12.78           O
+ATOM    230  CB  MET A  32      12.387  -1.842  -9.978  1.00 12.48           C
+ATOM    231  CG  MET A  32      10.889  -1.620  -9.930  1.00 17.73           C
+ATOM    232  SD  MET A  32      10.285  -0.089 -10.543  1.00 15.12           S
+ATOM    233  CE  MET A  32      10.633  -0.449 -12.284  1.00 11.32           C
+ATOM    234  N   PHE A  33      12.859  -4.341 -11.658  1.00 13.98           N
+ATOM    235  CA  PHE A  33      12.423  -5.476 -12.584  1.00 16.07           C
+ATOM    236  C   PHE A  33      12.551  -6.737 -12.305  1.00 12.29           C
+ATOM    237  O   PHE A  33      11.788  -7.686 -12.349  1.00 14.84           O
+ATOM    238  CB  PHE A  33      12.947  -5.237 -13.990  1.00 11.16           C
+ATOM    239  CG  PHE A  33      12.536  -3.998 -14.641  1.00 10.01           C
+ATOM    240  CD1 PHE A  33      11.466  -3.383 -14.673  1.00 13.62           C
+ATOM    241  CD2 PHE A  33      13.679  -3.464 -15.536  1.00 19.46           C
+ATOM    242  CE1 PHE A  33      11.074  -2.180 -15.483  1.00 17.65           C
+ATOM    243  CE2 PHE A  33      13.177  -2.070 -16.087  1.00 14.83           C
+ATOM    244  CZ  PHE A  33      12.158  -1.591 -16.095  1.00 12.93           C
+ATOM    245  N   LEU A  34      13.735  -6.963 -11.432  1.00 16.04           N
+ATOM    246  CA  LEU A  34      14.079  -8.337 -11.022  1.00 14.57           C
+ATOM    247  C   LEU A  34      13.293  -8.578  -9.676  1.00 17.64           C
+ATOM    248  O   LEU A  34      12.997  -9.724  -9.442  1.00 18.98           O
+ATOM    249  CB  LEU A  34      15.453  -8.526 -10.814  1.00 18.08           C
+ATOM    250  CG  LEU A  34      16.401  -8.680 -11.761  1.00 28.60           C
+ATOM    251  CD1 LEU A  34      17.957  -8.573 -11.703  1.00 25.37           C
+ATOM    252  CD2 LEU A  34      15.936  -9.330 -12.871  1.00 34.83           C
+ATOM    253  N   SER A  35      13.220  -7.510  -8.706  1.00 15.41           N
+ATOM    254  CA  SER A  35      12.815  -7.908  -7.502  1.00 14.95           C
+ATOM    255  C   SER A  35      11.238  -7.909  -7.418  1.00 15.69           C
+ATOM    256  O   SER A  35      10.517  -8.531  -6.585  1.00 14.29           O
+ATOM    257  CB  SER A  35      13.131  -6.749  -6.442  1.00 13.14           C
+ATOM    258  OG  SER A  35      14.485  -7.014  -6.085  1.00 17.78           O
+ATOM    259  N   PHE A  36      10.680  -7.033  -8.262  1.00 13.54           N
+ATOM    260  CA  PHE A  36       9.195  -6.850  -8.454  1.00 13.46           C
+ATOM    261  C   PHE A  36       8.843  -6.910  -9.927  1.00  8.62           C
+ATOM    262  O   PHE A  36       8.478  -5.788 -10.556  1.00 14.12           O
+ATOM    263  CB  PHE A  36       8.936  -5.457  -7.919  1.00 16.50           C
+ATOM    264  CG  PHE A  36       9.418  -4.974  -6.493  1.00 13.63           C
+ATOM    265  CD1 PHE A  36      10.591  -4.292  -6.329  1.00 11.92           C
+ATOM    266  CD2 PHE A  36       8.828  -5.831  -5.362  1.00 19.28           C
+ATOM    267  CE1 PHE A  36      11.048  -4.090  -5.054  1.00 15.75           C
+ATOM    268  CE2 PHE A  36       9.372  -5.629  -4.112  1.00 13.78           C
+ATOM    269  CZ  PHE A  36      10.535  -4.872  -4.007  1.00 15.33           C
+ATOM    270  N   PRO A  37       8.621  -8.156 -10.145  1.00 14.18           N
+ATOM    271  CA  PRO A  37       8.292  -8.333 -11.715  1.00 17.12           C
+ATOM    272  C   PRO A  37       7.088  -7.804 -12.224  1.00 17.85           C
+ATOM    273  O   PRO A  37       6.976  -7.542 -13.453  1.00 18.50           O
+ATOM    274  CB  PRO A  37       8.433  -9.844 -11.897  1.00 23.37           C
+ATOM    275  CG  PRO A  37       8.573 -10.410 -10.572  1.00 28.27           C
+ATOM    276  CD  PRO A  37       8.857  -9.204  -9.532  1.00 20.43           C
+ATOM    277  N   THR A  38       6.105  -7.481 -11.322  1.00 18.86           N
+ATOM    278  CA  THR A  38       4.849  -6.949 -11.938  1.00 14.66           C
+ATOM    279  C   THR A  38       5.134  -5.609 -12.568  1.00 12.72           C
+ATOM    280  O   THR A  38       4.433  -5.064 -13.326  1.00 15.75           O
+ATOM    281  CB  THR A  38       3.879  -6.749 -10.732  1.00 19.10           C
+ATOM    282  OG1 THR A  38       4.340  -6.112  -9.661  1.00 18.82           O
+ATOM    283  CG2 THR A  38       3.543  -8.224 -10.416  1.00 22.69           C
+ATOM    284  N   THR A  39       6.269  -4.882 -12.154  1.00 14.27           N
+ATOM    285  CA  THR A  39       6.491  -3.556 -12.776  1.00 10.19           C
+ATOM    286  C   THR A  39       6.886  -3.690 -14.302  1.00 10.17           C
+ATOM    287  O   THR A  39       6.836  -2.719 -14.886  1.00 14.01           O
+ATOM    288  CB  THR A  39       7.510  -2.917 -11.996  1.00 15.56           C
+ATOM    289  OG1 THR A  39       8.881  -3.562 -11.937  1.00 14.68           O
+ATOM    290  CG2 THR A  39       7.258  -2.652 -10.511  1.00 20.52           C
+ATOM    291  N   LYS A  40       7.174  -4.831 -14.593  1.00 14.72           N
+ATOM    292  CA  LYS A  40       7.574  -4.871 -15.954  1.00 15.89           C
+ATOM    293  C   LYS A  40       6.392  -4.785 -17.012  1.00 21.37           C
+ATOM    294  O   LYS A  40       6.437  -4.614 -18.103  1.00 15.72           O
+ATOM    295  CB  LYS A  40       8.145  -6.482 -16.338  1.00 11.64           C
+ATOM    296  CG  LYS A  40       9.529  -6.584 -15.725  1.00 16.19           C
+ATOM    297  CD  LYS A  40      10.167  -7.889 -16.138  1.00 23.35           C
+ATOM    298  CE  LYS A  40       9.677  -9.033 -15.597  1.00 24.42           C
+ATOM    299  NZ  LYS A  40      10.352 -10.362 -15.922  1.00 19.04           N
+ATOM    300  N   THR A  41       5.127  -4.865 -16.397  1.00 13.16           N
+ATOM    301  CA  THR A  41       3.875  -4.707 -17.174  1.00 14.78           C
+ATOM    302  C   THR A  41       3.932  -3.487 -17.746  1.00 15.32           C
+ATOM    303  O   THR A  41       3.044  -3.054 -18.672  1.00 15.67           O
+ATOM    304  CB  THR A  41       2.612  -5.037 -16.228  1.00 15.38           C
+ATOM    305  OG1 THR A  41       2.526  -4.071 -15.248  1.00 14.93           O
+ATOM    306  CG2 THR A  41       2.578  -6.405 -15.884  1.00 16.57           C
+ATOM    307  N   TYR A  42       4.610  -2.356 -17.311  1.00 10.46           N
+ATOM    308  CA  TYR A  42       4.398  -1.015 -17.861  1.00 12.73           C
+ATOM    309  C   TYR A  42       5.571  -0.792 -19.101  1.00  7.07           C
+ATOM    310  O   TYR A  42       5.611   0.312 -19.642  1.00 12.11           O
+ATOM    311  CB  TYR A  42       4.898  -0.049 -16.794  1.00 14.67           C
+ATOM    312  CG  TYR A  42       3.618   0.026 -15.875  1.00 13.54           C
+ATOM    313  CD1 TYR A  42       2.437   0.794 -16.095  1.00 19.68           C
+ATOM    314  CD2 TYR A  42       3.661  -0.765 -14.634  1.00 18.38           C
+ATOM    315  CE1 TYR A  42       1.433   0.570 -15.142  1.00 23.98           C
+ATOM    316  CE2 TYR A  42       2.601  -0.739 -13.758  1.00 13.41           C
+ATOM    317  CZ  TYR A  42       1.469  -0.048 -14.033  1.00 18.96           C
+ATOM    318  OH  TYR A  42       0.436  -0.054 -13.115  1.00 19.81           O
+ATOM    319  N   PHE A  43       6.476  -1.826 -19.154  1.00 17.11           N
+ATOM    320  CA  PHE A  43       7.621  -1.843 -20.115  1.00 18.18           C
+ATOM    321  C   PHE A  43       7.472  -2.895 -21.133  1.00 24.86           C
+ATOM    322  O   PHE A  43       8.506  -3.413 -21.456  1.00 22.13           O
+ATOM    323  CB  PHE A  43       8.883  -1.731 -19.445  1.00 15.44           C
+ATOM    324  CG  PHE A  43       9.117  -0.406 -18.576  1.00 14.36           C
+ATOM    325  CD1 PHE A  43       8.554  -0.479 -17.198  1.00 14.47           C
+ATOM    326  CD2 PHE A  43       9.564   0.739 -18.886  1.00 16.54           C
+ATOM    327  CE1 PHE A  43       8.777   0.624 -16.478  1.00 20.56           C
+ATOM    328  CE2 PHE A  43       9.747   1.973 -18.107  1.00 17.61           C
+ATOM    329  CZ  PHE A  43       9.344   1.707 -16.778  1.00 18.88           C
+ATOM    330  N   PRO A  44       6.315  -3.239 -21.641  1.00 18.09           N
+ATOM    331  CA  PRO A  44       6.381  -4.414 -22.439  1.00 22.24           C
+ATOM    332  C   PRO A  44       7.028  -3.933 -24.077  1.00 24.15           C
+ATOM    333  O   PRO A  44       7.495  -4.754 -24.733  1.00 24.01           O
+ATOM    334  CB  PRO A  44       5.048  -4.531 -22.752  1.00 28.44           C
+ATOM    335  CG  PRO A  44       4.370  -3.210 -22.675  1.00 24.77           C
+ATOM    336  CD  PRO A  44       5.151  -2.594 -21.501  1.00 21.37           C
+ATOM    337  N   HIS A  45       7.181  -2.759 -24.200  1.00 22.61           N
+ATOM    338  CA  HIS A  45       7.861  -2.190 -25.416  1.00 32.33           C
+ATOM    339  C   HIS A  45       9.330  -2.042 -25.421  1.00 27.50           C
+ATOM    340  O   HIS A  45       9.974  -1.539 -26.257  1.00 22.34           O
+ATOM    341  CB  HIS A  45       7.358  -0.919 -25.693  1.00 28.91           C
+ATOM    342  CG  HIS A  45       7.192   0.375 -24.801  1.00 24.48           C
+ATOM    343  ND1 HIS A  45       6.886  -0.058 -23.407  1.00 28.61           N
+ATOM    344  CD2 HIS A  45       7.956   1.463 -24.795  1.00 25.11           C
+ATOM    345  CE1 HIS A  45       7.011   1.085 -22.716  1.00 26.97           C
+ATOM    346  NE2 HIS A  45       7.765   2.042 -23.628  1.00 30.40           N
+ATOM    347  N   PHE A  46      10.122  -2.386 -24.054  1.00 17.28           N
+ATOM    348  CA  PHE A  46      11.455  -2.262 -23.909  1.00 16.89           C
+ATOM    349  C   PHE A  46      12.005  -3.636 -24.127  1.00 16.17           C
+ATOM    350  O   PHE A  46      11.604  -4.686 -23.635  1.00 18.14           O
+ATOM    351  CB  PHE A  46      11.684  -1.700 -22.434  1.00 19.02           C
+ATOM    352  CG  PHE A  46      11.699  -0.399 -22.451  1.00 24.73           C
+ATOM    353  CD1 PHE A  46      12.430   0.377 -21.434  1.00 19.60           C
+ATOM    354  CD2 PHE A  46      11.298   0.412 -23.118  1.00 32.07           C
+ATOM    355  CE1 PHE A  46      12.410   1.666 -21.260  1.00 16.62           C
+ATOM    356  CE2 PHE A  46      11.265   1.969 -23.113  1.00 32.95           C
+ATOM    357  CZ  PHE A  46      11.777   2.738 -22.175  1.00 26.82           C
+ATOM    358  N   ASP A  47      13.392  -3.464 -24.534  1.00 19.28           N
+ATOM    359  CA  ASP A  47      14.201  -4.676 -24.267  1.00 21.11           C
+ATOM    360  C   ASP A  47      14.839  -4.498 -22.659  1.00 19.86           C
+ATOM    361  O   ASP A  47      15.431  -3.489 -22.547  1.00 21.26           O
+ATOM    362  CB  ASP A  47      15.523  -4.420 -25.240  1.00 18.49           C
+ATOM    363  CG  ASP A  47      16.401  -5.761 -25.037  1.00 31.25           C
+ATOM    364  OD1 ASP A  47      16.311  -6.607 -24.275  1.00 29.75           O
+ATOM    365  OD2 ASP A  47      17.439  -5.328 -25.588  1.00 43.41           O
+ATOM    366  N   LEU A  48      14.368  -5.324 -22.041  1.00 24.03           N
+ATOM    367  CA  LEU A  48      14.753  -5.341 -20.734  1.00 18.27           C
+ATOM    368  C   LEU A  48      15.791  -6.404 -20.198  1.00 36.02           C
+ATOM    369  O   LEU A  48      16.171  -6.209 -19.141  1.00 39.74           O
+ATOM    370  CB  LEU A  48      13.415  -5.610 -19.721  1.00 19.69           C
+ATOM    371  CG  LEU A  48      12.489  -4.486 -19.789  1.00 21.82           C
+ATOM    372  CD1 LEU A  48      11.174  -5.208 -18.951  1.00 33.27           C
+ATOM    373  CD2 LEU A  48      12.620  -3.262 -19.549  1.00 24.10           C
+ATOM    374  N   SER A  49      16.783  -6.499 -21.225  1.00 29.95           N
+ATOM    375  CA  SER A  49      18.122  -7.384 -21.060  1.00 36.57           C
+ATOM    376  C   SER A  49      18.846  -6.374 -20.277  1.00 27.84           C
+ATOM    377  O   SER A  49      19.000  -5.086 -20.358  1.00 22.88           O
+ATOM    378  CB  SER A  49      18.154  -8.122 -22.211  1.00 37.22           C
+ATOM    379  OG  SER A  49      18.651  -7.428 -22.904  1.00 43.53           O
+ATOM    380  N   HIS A  50      19.910  -7.126 -19.381  1.00 28.70           N
+ATOM    381  CA  HIS A  50      20.458  -5.929 -18.816  1.00 33.73           C
+ATOM    382  C   HIS A  50      21.497  -5.179 -19.493  1.00 26.32           C
+ATOM    383  O   HIS A  50      22.162  -5.918 -20.594  1.00 31.00           O
+ATOM    384  CB  HIS A  50      21.839  -7.147 -17.996  1.00 52.72           C
+ATOM    385  CG  HIS A  50      22.748  -6.326 -17.477  1.00 44.40           C
+ATOM    386  ND1 HIS A  50      22.626  -5.701 -16.215  1.00 33.80           N
+ATOM    387  CD2 HIS A  50      24.218  -6.937 -17.247  1.00 47.43           C
+ATOM    388  CE1 HIS A  50      23.812  -5.042 -15.891  1.00 41.56           C
+ATOM    389  NE2 HIS A  50      24.721  -5.696 -16.698  1.00 46.05           N
+ATOM    390  N   GLY A  51      21.750  -4.254 -19.494  1.00 24.77           N
+ATOM    391  CA  GLY A  51      22.455  -3.151 -20.084  1.00 47.57           C
+ATOM    392  C   GLY A  51      21.857  -2.536 -21.373  1.00 38.90           C
+ATOM    393  O   GLY A  51      22.594  -2.038 -22.085  1.00 36.29           O
+ATOM    394  N   SER A  52      20.675  -3.017 -21.484  1.00 31.32           N
+ATOM    395  CA  SER A  52      19.963  -2.196 -22.851  1.00 26.23           C
+ATOM    396  C   SER A  52      20.134  -0.997 -22.782  1.00 16.57           C
+ATOM    397  O   SER A  52      19.933  -0.129 -21.983  1.00 20.02           O
+ATOM    398  CB  SER A  52      18.619  -2.881 -22.964  1.00 27.24           C
+ATOM    399  OG  SER A  52      17.746  -2.046 -22.388  1.00 23.82           O
+ATOM    400  N   ALA A  53      20.194  -0.382 -24.103  1.00 17.74           N
+ATOM    401  CA  ALA A  53      20.270   0.998 -24.154  1.00 23.86           C
+ATOM    402  C   ALA A  53      18.923   1.773 -23.848  1.00 16.18           C
+ATOM    403  O   ALA A  53      18.953   2.849 -23.330  1.00 19.42           O
+ATOM    404  CB  ALA A  53      20.303   1.395 -25.787  1.00 25.47           C
+ATOM    405  N   GLN A  54      17.736   0.981 -23.874  1.00 20.85           N
+ATOM    406  CA  GLN A  54      16.512   1.657 -23.573  1.00 13.59           C
+ATOM    407  C   GLN A  54      16.574   1.828 -21.914  1.00 19.26           C
+ATOM    408  O   GLN A  54      15.942   2.867 -21.609  1.00 20.48           O
+ATOM    409  CB  GLN A  54      15.353   0.611 -23.904  1.00 15.39           C
+ATOM    410  CG  GLN A  54      14.983   0.803 -25.364  1.00 20.40           C
+ATOM    411  CD  GLN A  54      14.209  -0.311 -25.782  1.00 15.48           C
+ATOM    412  OE1 GLN A  54      14.579  -1.521 -25.849  1.00 23.45           O
+ATOM    413  NE2 GLN A  54      13.268  -0.063 -26.856  1.00 19.86           N
+ATOM    414  N   VAL A  55      16.964   0.770 -21.300  1.00 16.87           N
+ATOM    415  CA  VAL A  55      17.057   0.967 -19.825  1.00 16.48           C
+ATOM    416  C   VAL A  55      17.956   2.003 -19.318  1.00 17.36           C
+ATOM    417  O   VAL A  55      17.791   2.873 -18.570  1.00 18.40           O
+ATOM    418  CB  VAL A  55      17.306  -0.514 -19.268  1.00 14.78           C
+ATOM    419  CG1 VAL A  55      17.609  -0.401 -17.796  1.00 21.77           C
+ATOM    420  CG2 VAL A  55      16.107  -1.297 -19.446  1.00 16.83           C
+ATOM    421  N   LYS A  56      19.228   1.986 -19.953  1.00 16.43           N
+ATOM    422  CA  LYS A  56      20.094   3.039 -19.797  1.00 16.52           C
+ATOM    423  C   LYS A  56      19.566   4.272 -19.699  1.00 21.58           C
+ATOM    424  O   LYS A  56      19.825   5.350 -19.163  1.00 20.11           O
+ATOM    425  CB  LYS A  56      21.563   2.786 -20.316  1.00 18.35           C
+ATOM    426  CG  LYS A  56      21.968   1.412 -19.848  1.00 28.49           C
+ATOM    427  CD  LYS A  56      23.832   1.798 -20.631  1.00 44.71           C
+ATOM    428  CE  LYS A  56      24.647   0.185 -20.276  1.00 47.65           C
+ATOM    429  NZ  LYS A  56      26.042   0.618 -20.926  1.00 52.31           N
+ATOM    430  N   GLY A  57      19.018   4.549 -21.123  1.00 17.21           N
+ATOM    431  CA  GLY A  57      18.386   5.829 -21.439  1.00 25.10           C
+ATOM    432  C   GLY A  57      17.163   6.322 -20.441  1.00 19.44           C
+ATOM    433  O   GLY A  57      17.339   7.478 -20.078  1.00 20.54           O
+ATOM    434  N   HIS A  58      16.465   5.322 -20.170  1.00 18.79           N
+ATOM    435  CA  HIS A  58      15.350   5.701 -19.218  1.00 20.27           C
+ATOM    436  C   HIS A  58      15.995   6.080 -17.623  1.00 13.51           C
+ATOM    437  O   HIS A  58      15.432   7.056 -17.182  1.00 17.47           O
+ATOM    438  CB  HIS A  58      14.449   4.447 -19.262  1.00 17.90           C
+ATOM    439  CG  HIS A  58      13.058   4.996 -18.478  1.00 15.76           C
+ATOM    440  ND1 HIS A  58      12.287   6.114 -18.800  1.00 20.40           N
+ATOM    441  CD2 HIS A  58      12.522   4.394 -17.450  1.00 20.31           C
+ATOM    442  CE1 HIS A  58      11.473   6.092 -17.719  1.00 20.13           C
+ATOM    443  NE2 HIS A  58      11.497   5.103 -17.065  1.00 21.08           N
+ATOM    444  N   GLY A  59      16.881   5.222 -17.443  1.00 14.95           N
+ATOM    445  CA  GLY A  59      17.562   5.623 -16.096  1.00 18.11           C
+ATOM    446  C   GLY A  59      18.124   6.806 -15.942  1.00 19.85           C
+ATOM    447  O   GLY A  59      17.932   7.718 -15.003  1.00 15.36           O
+ATOM    448  N   LYS A  60      18.701   7.399 -17.074  1.00 17.17           N
+ATOM    449  CA  LYS A  60      19.105   8.846 -17.109  1.00 18.34           C
+ATOM    450  C   LYS A  60      18.266   9.905 -16.940  1.00 18.03           C
+ATOM    451  O   LYS A  60      18.249  10.847 -16.377  1.00 18.72           O
+ATOM    452  CB  LYS A  60      20.142   9.096 -18.402  1.00 30.65           C
+ATOM    453  CG  LYS A  60      20.617  10.355 -18.546  1.00 41.57           C
+ATOM    454  CD  LYS A  60      21.486  10.272 -19.721  1.00 63.44           C
+ATOM    455  CE  LYS A  60      22.042  12.123 -19.760  1.00 44.10           C
+ATOM    456  NZ  LYS A  60      23.253  10.931 -21.838  1.00 49.08           N
+ATOM    457  N   LYS A  61      17.057   9.480 -17.740  1.00 16.33           N
+ATOM    458  CA  LYS A  61      15.986  10.442 -17.612  1.00 17.87           C
+ATOM    459  C   LYS A  61      15.127  10.479 -16.158  1.00 14.89           C
+ATOM    460  O   LYS A  61      14.981  11.608 -15.829  1.00 19.71           O
+ATOM    461  CB  LYS A  61      14.717  10.033 -18.529  1.00 25.67           C
+ATOM    462  CG  LYS A  61      14.971  10.361 -20.143  1.00 41.04           C
+ATOM    463  CD  LYS A  61      13.959   9.646 -21.043  1.00 54.25           C
+ATOM    464  CE  LYS A  61      14.061   9.666 -21.851  1.00 78.95           C
+ATOM    465  NZ  LYS A  61      13.029   9.011 -23.092  1.00 43.58           N
+ATOM    466  N   VAL A  62      15.316   9.304 -15.709  1.00 15.10           N
+ATOM    467  CA  VAL A  62      14.699   9.322 -14.234  1.00 16.18           C
+ATOM    468  C   VAL A  62      15.686  10.200 -13.093  1.00 18.93           C
+ATOM    469  O   VAL A  62      15.095  11.051 -12.555  1.00 16.64           O
+ATOM    470  CB  VAL A  62      14.660   7.890 -13.835  1.00 13.59           C
+ATOM    471  CG1 VAL A  62      14.141   7.704 -12.419  1.00 20.28           C
+ATOM    472  CG2 VAL A  62      13.407   7.365 -14.552  1.00 17.24           C
+ATOM    473  N   ALA A  63      16.863   9.822 -13.546  1.00 18.60           N
+ATOM    474  CA  ALA A  63      17.806  10.661 -12.634  1.00 14.91           C
+ATOM    475  C   ALA A  63      18.050  11.967 -12.922  1.00 18.47           C
+ATOM    476  O   ALA A  63      17.940  12.889 -11.976  1.00 18.58           O
+ATOM    477  CB  ALA A  63      19.170   9.768 -12.782  1.00 37.76           C
+ATOM    478  N   ASP A  64      17.821  12.573 -14.198  1.00 16.80           N
+ATOM    479  CA  ASP A  64      17.733  13.912 -14.174  1.00 24.74           C
+ATOM    480  C   ASP A  64      16.549  14.773 -13.697  1.00 17.12           C
+ATOM    481  O   ASP A  64      16.672  15.717 -13.116  1.00 22.08           O
+ATOM    482  CB  ASP A  64      17.603  14.212 -15.737  1.00 35.97           C
+ATOM    483  CG  ASP A  64      19.349  14.293 -16.612  1.00 31.06           C
+ATOM    484  OD1 ASP A  64      20.156  13.672 -15.497  1.00 35.72           O
+ATOM    485  OD2 ASP A  64      18.977  14.172 -17.839  1.00 43.58           O
+ATOM    486  N   ALA A  65      15.332  13.912 -13.869  1.00 13.28           N
+ATOM    487  CA  ALA A  65      14.329  14.415 -13.017  1.00 17.27           C
+ATOM    488  C   ALA A  65      14.445  14.482 -11.415  1.00 13.03           C
+ATOM    489  O   ALA A  65      13.989  15.536 -11.013  1.00 17.77           O
+ATOM    490  CB  ALA A  65      12.982  13.578 -13.361  1.00 23.35           C
+ATOM    491  N   LEU A  66      15.162  13.498 -11.063  1.00 15.51           N
+ATOM    492  CA  LEU A  66      15.339  13.706  -9.605  1.00 11.63           C
+ATOM    493  C   LEU A  66      16.337  14.754  -9.333  1.00 19.15           C
+ATOM    494  O   LEU A  66      16.146  15.585  -8.334  1.00 19.52           O
+ATOM    495  CB  LEU A  66      15.829  12.371  -9.144  1.00 13.76           C
+ATOM    496  CG  LEU A  66      14.823  11.115  -8.963  1.00 19.82           C
+ATOM    497  CD1 LEU A  66      15.489   9.880  -8.746  1.00 18.79           C
+ATOM    498  CD2 LEU A  66      13.658  11.434  -8.143  1.00 21.54           C
+ATOM    499  N   THR A  67      17.286  14.890 -10.137  1.00 15.35           N
+ATOM    500  CA  THR A  67      18.223  15.978 -10.096  1.00 19.22           C
+ATOM    501  C   THR A  67      17.538  17.420 -10.103  1.00 19.35           C
+ATOM    502  O   THR A  67      17.647  18.426  -9.135  1.00 25.50           O
+ATOM    503  CB  THR A  67      19.391  15.815 -10.975  1.00 27.92           C
+ATOM    504  OG1 THR A  67      20.048  14.951 -10.890  1.00 31.77           O
+ATOM    505  CG2 THR A  67      20.007  17.263 -11.105  1.00 31.55           C
+ATOM    506  N   ASN A  68      16.575  17.470 -11.016  1.00 18.73           N
+ATOM    507  CA  ASN A  68      15.744  18.747 -11.028  1.00 18.68           C
+ATOM    508  C   ASN A  68      14.923  18.912  -9.894  1.00 24.52           C
+ATOM    509  O   ASN A  68      14.765  20.137  -9.247  1.00 25.75           O
+ATOM    510  CB  ASN A  68      14.756  18.608 -12.121  1.00 25.79           C
+ATOM    511  CG  ASN A  68      13.735  19.831 -12.299  1.00 36.65           C
+ATOM    512  OD1 ASN A  68      14.126  20.875 -12.151  1.00 38.63           O
+ATOM    513  ND2 ASN A  68      12.596  19.698 -13.037  1.00 39.67           N
+ATOM    514  N   ALA A  69      14.365  17.791  -9.099  1.00 17.85           N
+ATOM    515  CA  ALA A  69      13.480  18.120  -7.964  1.00 16.12           C
+ATOM    516  C   ALA A  69      14.454  18.477  -6.733  1.00 15.28           C
+ATOM    517  O   ALA A  69      14.055  19.178  -5.996  1.00 20.90           O
+ATOM    518  CB  ALA A  69      13.019  16.796  -7.635  1.00 21.91           C
+ATOM    519  N   VAL A  70      15.742  17.807  -6.739  1.00 18.42           N
+ATOM    520  CA  VAL A  70      16.670  18.320  -5.560  1.00 18.79           C
+ATOM    521  C   VAL A  70      17.052  19.774  -5.743  1.00 21.40           C
+ATOM    522  O   VAL A  70      16.986  20.472  -4.749  1.00 22.44           O
+ATOM    523  CB  VAL A  70      17.782  17.521  -5.616  1.00 19.75           C
+ATOM    524  CG1 VAL A  70      19.021  17.739  -4.714  1.00 24.49           C
+ATOM    525  CG2 VAL A  70      17.476  16.043  -5.206  1.00 30.23           C
+ATOM    526  N   ALA A  71      17.156  20.293  -6.971  1.00 20.17           N
+ATOM    527  CA  ALA A  71      17.389  21.815  -7.308  1.00 23.56           C
+ATOM    528  C   ALA A  71      16.370  22.294  -6.912  1.00 25.98           C
+ATOM    529  O   ALA A  71      16.635  23.655  -6.511  1.00 33.09           O
+ATOM    530  CB  ALA A  71      17.654  21.789  -8.655  1.00 32.78           C
+ATOM    531  N   HIS A  72      15.081  22.080  -6.888  1.00 23.78           N
+ATOM    532  CA  HIS A  72      13.997  22.837  -6.617  1.00 21.95           C
+ATOM    533  C   HIS A  72      13.181  22.411  -5.617  1.00 20.17           C
+ATOM    534  O   HIS A  72      11.897  22.212  -5.613  1.00 23.99           O
+ATOM    535  CB  HIS A  72      12.821  22.953  -7.947  1.00 35.07           C
+ATOM    536  CG  HIS A  72      13.866  23.277  -8.689  1.00 34.89           C
+ATOM    537  ND1 HIS A  72      13.873  24.932  -9.510  1.00 43.74           N
+ATOM    538  CD2 HIS A  72      14.464  23.117 -10.031  1.00 29.96           C
+ATOM    539  CE1 HIS A  72      15.153  25.255  -9.959  1.00 41.69           C
+ATOM    540  NE2 HIS A  72      15.223  24.225 -10.948  1.00 44.85           N
+ATOM    541  N   VAL A  73      13.752  21.857  -4.446  1.00 23.31           N
+ATOM    542  CA  VAL A  73      13.057  21.077  -3.315  1.00 23.32           C
+ATOM    543  C   VAL A  73      12.075  21.651  -2.904  1.00 32.07           C
+ATOM    544  O   VAL A  73      10.955  21.485  -2.533  1.00 42.18           O
+ATOM    545  CB  VAL A  73      13.998  20.556  -2.485  1.00 41.19           C
+ATOM    546  CG1 VAL A  73      14.923  21.399  -1.795  1.00 52.76           C
+ATOM    547  CG2 VAL A  73      13.799  19.262  -2.036  1.00 47.91           C
+ATOM    548  N   ASP A  74      12.275  23.065  -2.789  1.00 30.40           N
+ATOM    549  CA  ASP A  74      11.145  24.002  -2.142  1.00 34.95           C
+ATOM    550  C   ASP A  74      10.049  24.015  -3.350  1.00 50.97           C
+ATOM    551  O   ASP A  74       9.132  24.778  -2.717  1.00 49.62           O
+ATOM    552  CB  ASP A  74      11.678  25.422  -2.020  1.00 42.77           C
+ATOM    553  CG  ASP A  74      12.830  25.304  -0.645  1.00 52.01           C
+ATOM    554  OD1 ASP A  74      12.752  24.865   0.015  1.00 49.67           O
+ATOM    555  OD2 ASP A  74      14.337  25.661  -0.918  1.00 51.46           O
+ATOM    556  N   ASP A  75       9.922  23.915  -4.261  1.00 36.55           N
+ATOM    557  CA  ASP A  75       8.668  23.936  -5.208  1.00 36.46           C
+ATOM    558  C   ASP A  75       8.874  22.788  -6.315  1.00 19.07           C
+ATOM    559  O   ASP A  75       8.567  23.036  -7.581  1.00 22.77           O
+ATOM    560  CB  ASP A  75       9.451  25.163  -6.540  1.00 64.13           C
+ATOM    561  CG  ASP A  75       8.868  25.436  -6.330  1.00 74.46           C
+ATOM    562  OD1 ASP A  75       7.314  26.337  -6.605  1.00 47.43           O
+ATOM    563  OD2 ASP A  75       8.881  25.994  -8.289  1.00 60.83           O
+ATOM    564  N   MET A  76       8.625  21.775  -5.634  1.00 28.83           N
+ATOM    565  CA  MET A  76       8.674  20.530  -6.647  1.00 25.75           C
+ATOM    566  C   MET A  76       7.271  20.288  -7.401  1.00 26.47           C
+ATOM    567  O   MET A  76       7.358  19.996  -8.579  1.00 25.06           O
+ATOM    568  CB  MET A  76       8.643  19.305  -5.552  1.00 26.87           C
+ATOM    569  CG  MET A  76       9.740  19.092  -5.553  1.00 44.91           C
+ATOM    570  SD  MET A  76      10.207  17.317  -4.716  1.00 43.69           S
+ATOM    571  CE  MET A  76      10.186  17.272  -3.278  1.00 47.45           C
+ATOM    572  N   PRO A  77       6.289  20.734  -6.858  1.00 24.72           N
+ATOM    573  CA  PRO A  77       5.288  21.011  -7.720  1.00 32.25           C
+ATOM    574  C   PRO A  77       5.404  21.500  -8.895  1.00 33.71           C
+ATOM    575  O   PRO A  77       4.843  20.983 -10.107  1.00 27.50           O
+ATOM    576  CB  PRO A  77       3.868  21.504  -6.885  1.00 35.42           C
+ATOM    577  CG  PRO A  77       4.538  21.027  -5.570  1.00 42.65           C
+ATOM    578  CD  PRO A  77       5.873  20.979  -5.490  1.00 26.77           C
+ATOM    579  N   ASN A  78       5.832  22.745  -9.066  1.00 28.71           N
+ATOM    580  CA  ASN A  78       5.931  23.542 -10.146  1.00 29.25           C
+ATOM    581  C   ASN A  78       7.105  22.960 -10.923  1.00 25.30           C
+ATOM    582  O   ASN A  78       7.043  22.562 -12.258  1.00 31.49           O
+ATOM    583  CB  ASN A  78       6.292  25.075 -10.189  1.00 52.85           C
+ATOM    584  CG  ASN A  78       5.615  25.627 -10.060  1.00 62.76           C
+ATOM    585  OD1 ASN A  78       4.765  26.184  -8.258  1.00 71.55           O
+ATOM    586  ND2 ASN A  78       4.594  25.811 -10.486  1.00 72.60           N
+ATOM    587  N   ALA A  79       8.114  22.456 -10.315  1.00 21.06           N
+ATOM    588  CA  ALA A  79       9.264  21.897 -10.989  1.00 28.88           C
+ATOM    589  C   ALA A  79       8.963  20.522 -11.944  1.00 27.69           C
+ATOM    590  O   ALA A  79       9.465  20.431 -13.022  1.00 25.51           O
+ATOM    591  CB  ALA A  79      10.294  21.701 -10.105  1.00 35.64           C
+ATOM    592  N   LEU A  80       8.232  19.781 -11.312  1.00 22.21           N
+ATOM    593  CA  LEU A  80       7.767  18.341 -11.815  1.00 24.91           C
+ATOM    594  C   LEU A  80       6.510  18.562 -12.698  1.00 29.49           C
+ATOM    595  O   LEU A  80       5.875  17.479 -12.950  1.00 21.47           O
+ATOM    596  CB  LEU A  80       7.734  17.285 -10.765  1.00 17.03           C
+ATOM    597  CG  LEU A  80       9.126  17.077 -10.078  1.00 26.04           C
+ATOM    598  CD1 LEU A  80       8.930  16.109  -9.016  1.00 30.97           C
+ATOM    599  CD2 LEU A  80      10.040  16.545 -11.282  1.00 40.31           C
+ATOM    600  N   SER A  81       5.857  19.827 -12.942  1.00 21.07           N
+ATOM    601  CA  SER A  81       4.431  19.687 -13.335  1.00 18.09           C
+ATOM    602  C   SER A  81       4.363  19.087 -14.671  1.00 20.48           C
+ATOM    603  O   SER A  81       3.314  18.257 -14.890  1.00 25.77           O
+ATOM    604  CB  SER A  81       4.467  21.619 -13.861  1.00 32.64           C
+ATOM    605  OG  SER A  81       2.994  21.456 -13.913  1.00 44.30           O
+ATOM    606  N   ALA A  82       5.219  18.957 -15.594  1.00 23.80           N
+ATOM    607  CA  ALA A  82       5.295  18.397 -16.849  1.00 21.23           C
+ATOM    608  C   ALA A  82       5.047  16.984 -16.596  1.00 19.91           C
+ATOM    609  O   ALA A  82       4.419  16.133 -17.266  1.00 24.36           O
+ATOM    610  CB  ALA A  82       6.433  18.664 -17.830  1.00 22.94           C
+ATOM    611  N   LEU A  83       6.039  16.444 -15.755  1.00 18.35           N
+ATOM    612  CA  LEU A  83       5.983  14.900 -15.664  1.00 19.01           C
+ATOM    613  C   LEU A  83       4.967  14.491 -14.735  1.00 18.91           C
+ATOM    614  O   LEU A  83       4.393  13.347 -14.967  1.00 18.17           O
+ATOM    615  CB  LEU A  83       7.250  14.624 -14.735  1.00 22.27           C
+ATOM    616  CG  LEU A  83       8.130  13.821 -15.009  1.00 34.66           C
+ATOM    617  CD1 LEU A  83       8.449  13.918 -16.558  1.00 28.24           C
+ATOM    618  CD2 LEU A  83       9.756  14.153 -14.680  1.00 38.79           C
+ATOM    619  N   SER A  84       4.321  15.210 -13.869  1.00 13.22           N
+ATOM    620  CA  SER A  84       3.091  14.769 -13.309  1.00 14.54           C
+ATOM    621  C   SER A  84       1.806  14.643 -14.240  1.00 13.50           C
+ATOM    622  O   SER A  84       1.081  13.802 -14.037  1.00 20.19           O
+ATOM    623  CB  SER A  84       2.316  15.701 -11.953  1.00 25.45           C
+ATOM    624  OG  SER A  84       3.028  16.684 -12.075  1.00 36.19           O
+ATOM    625  N   ASP A  85       1.894  15.645 -15.194  1.00 15.99           N
+ATOM    626  CA  ASP A  85       0.657  15.457 -16.246  1.00 18.10           C
+ATOM    627  C   ASP A  85       0.872  14.320 -17.117  1.00 20.71           C
+ATOM    628  O   ASP A  85       0.085  13.524 -17.249  1.00 20.01           O
+ATOM    629  CB  ASP A  85       0.847  16.636 -17.207  1.00 30.89           C
+ATOM    630  CG  ASP A  85       0.240  17.791 -16.350  1.00 57.00           C
+ATOM    631  OD1 ASP A  85      -0.408  17.890 -15.984  1.00 51.34           O
+ATOM    632  OD2 ASP A  85       0.645  19.250 -17.189  1.00 50.68           O
+ATOM    633  N   LEU A  86       2.217  13.883 -17.444  1.00 20.13           N
+ATOM    634  CA  LEU A  86       2.516  12.802 -18.225  1.00 17.03           C
+ATOM    635  C   LEU A  86       2.094  11.499 -17.604  1.00 14.48           C
+ATOM    636  O   LEU A  86       1.613  10.536 -18.155  1.00 18.46           O
+ATOM    637  CB  LEU A  86       4.085  12.859 -18.555  1.00 16.01           C
+ATOM    638  CG  LEU A  86       4.479  11.856 -19.204  1.00 23.66           C
+ATOM    639  CD1 LEU A  86       4.217  11.927 -20.682  1.00 40.43           C
+ATOM    640  CD2 LEU A  86       6.063  11.399 -19.455  1.00 33.72           C
+ATOM    641  N   HIS A  87       2.488  11.534 -16.185  1.00 12.17           N
+ATOM    642  CA  HIS A  87       2.237  10.125 -15.649  1.00 12.85           C
+ATOM    643  C   HIS A  87       0.524  10.055 -15.280  1.00 15.39           C
+ATOM    644  O   HIS A  87       0.114   8.957 -15.394  1.00 15.03           O
+ATOM    645  CB  HIS A  87       2.873  10.043 -14.177  1.00 13.63           C
+ATOM    646  CG  HIS A  87       4.357   9.531 -14.510  1.00 14.91           C
+ATOM    647  ND1 HIS A  87       5.315  10.638 -14.847  1.00 15.35           N
+ATOM    648  CD2 HIS A  87       5.128   8.461 -14.450  1.00 17.85           C
+ATOM    649  CE1 HIS A  87       6.425   9.938 -15.110  1.00 15.29           C
+ATOM    650  NE2 HIS A  87       6.410   8.672 -14.776  1.00 15.64           N
+ATOM    651  N   ALA A  88       0.070  11.240 -15.092  1.00 19.56           N
+ATOM    652  CA  ALA A  88      -1.450  11.245 -14.731  1.00 16.45           C
+ATOM    653  C   ALA A  88      -2.307  10.782 -16.164  1.00 28.29           C
+ATOM    654  O   ALA A  88      -3.217  10.321 -15.884  1.00 25.27           O
+ATOM    655  CB  ALA A  88      -1.985  12.408 -13.954  1.00 17.34           C
+ATOM    656  N   HIS A  89      -1.856  11.542 -17.115  1.00 21.56           N
+ATOM    657  CA  HIS A  89      -2.652  11.471 -18.284  1.00 29.42           C
+ATOM    658  C   HIS A  89      -2.430  10.590 -19.375  1.00 27.17           C
+ATOM    659  O   HIS A  89      -3.237   9.974 -20.183  1.00 22.35           O
+ATOM    660  CB  HIS A  89      -2.855  12.836 -18.839  1.00 26.26           C
+ATOM    661  CG  HIS A  89      -3.474  13.775 -17.933  1.00 44.45           C
+ATOM    662  ND1 HIS A  89      -4.582  13.545 -17.082  1.00 45.59           N
+ATOM    663  CD2 HIS A  89      -3.036  15.133 -17.376  1.00 45.61           C
+ATOM    664  CE1 HIS A  89      -4.931  14.373 -15.965  1.00 42.72           C
+ATOM    665  NE2 HIS A  89      -3.969  15.212 -16.507  1.00 43.49           N
+ATOM    666  N   LYS A  90      -1.237  10.085 -19.553  1.00 18.65           N
+ATOM    667  CA  LYS A  90      -0.701   9.212 -20.311  1.00 28.92           C
+ATOM    668  C   LYS A  90      -0.235   7.836 -20.094  1.00 28.09           C
+ATOM    669  O   LYS A  90      -0.814   6.865 -20.213  1.00 25.04           O
+ATOM    670  CB  LYS A  90       0.483   9.973 -21.248  1.00 32.47           C
+ATOM    671  CG  LYS A  90      -0.258  11.271 -22.102  1.00 49.97           C
+ATOM    672  CD  LYS A  90      -1.161  11.150 -22.865  1.00 58.54           C
+ATOM    673  CE  LYS A  90      -0.717  12.584 -23.928  1.00 66.22           C
+ATOM    674  NZ  LYS A  90      -3.148  11.648 -24.501  1.00 63.54           N
+ATOM    675  N   LEU A  91       0.684   7.834 -19.083  1.00 17.50           N
+ATOM    676  CA  LEU A  91       1.357   6.678 -18.728  1.00 15.47           C
+ATOM    677  C   LEU A  91       0.469   5.814 -17.729  1.00 18.54           C
+ATOM    678  O   LEU A  91       0.360   4.623 -17.933  1.00 17.03           O
+ATOM    679  CB  LEU A  91       2.810   6.867 -17.956  1.00 13.84           C
+ATOM    680  CG  LEU A  91       3.828   7.564 -18.848  1.00 16.01           C
+ATOM    681  CD1 LEU A  91       4.943   7.934 -18.256  1.00 18.27           C
+ATOM    682  CD2 LEU A  91       3.998   6.811 -20.081  1.00 22.12           C
+ATOM    683  N   ARG A  92      -0.013   6.544 -16.785  1.00 18.03           N
+ATOM    684  CA  ARG A  92      -1.120   5.962 -15.831  1.00 14.41           C
+ATOM    685  C   ARG A  92      -0.663   4.876 -15.136  1.00 15.84           C
+ATOM    686  O   ARG A  92      -1.280   3.746 -14.964  1.00 17.92           O
+ATOM    687  CB  ARG A  92      -2.457   5.762 -16.768  1.00 18.61           C
+ATOM    688  CG  ARG A  92      -3.108   6.901 -17.068  1.00 25.14           C
+ATOM    689  CD  ARG A  92      -3.735   6.578 -19.206  1.00 53.25           C
+ATOM    690  NE  ARG A  92      -4.375   7.010 -18.108  1.00 51.61           N
+ATOM    691  CZ  ARG A  92      -5.273   6.721 -20.498  1.00 59.18           C
+ATOM    692  NH1 ARG A  92      -4.092   6.059 -21.138  1.00 31.30           N
+ATOM    693  NH2 ARG A  92      -6.080   6.715 -20.222  1.00 36.70           N
+ATOM    694  N   VAL A  93       0.444   4.876 -14.510  1.00 14.32           N
+ATOM    695  CA  VAL A  93       1.119   3.933 -13.665  1.00 16.19           C
+ATOM    696  C   VAL A  93       0.472   3.844 -12.448  1.00 13.83           C
+ATOM    697  O   VAL A  93       0.272   4.879 -11.643  1.00 14.88           O
+ATOM    698  CB  VAL A  93       2.564   4.273 -13.453  1.00 12.60           C
+ATOM    699  CG1 VAL A  93       3.153   3.301 -12.513  1.00 15.68           C
+ATOM    700  CG2 VAL A  93       3.314   4.342 -14.815  1.00 15.91           C
+ATOM    701  N   ASP A  94       0.015   2.696 -11.867  1.00 14.66           N
+ATOM    702  CA  ASP A  94      -0.813   2.633 -10.611  1.00 11.73           C
+ATOM    703  C   ASP A  94       0.271   3.244  -9.468  1.00 12.54           C
+ATOM    704  O   ASP A  94       1.339   2.859  -9.516  1.00 16.42           O
+ATOM    705  CB  ASP A  94      -1.010   1.197 -10.262  1.00 12.92           C
+ATOM    706  CG  ASP A  94      -1.972   1.228  -9.080  1.00 22.91           C
+ATOM    707  OD1 ASP A  94      -3.187   1.146  -9.201  1.00 22.17           O
+ATOM    708  OD2 ASP A  94      -1.457   1.316  -7.935  1.00 19.01           O
+ATOM    709  N   PRO A  95      -0.249   3.901  -8.527  1.00 16.46           N
+ATOM    710  CA  PRO A  95       0.567   4.636  -7.596  1.00 14.67           C
+ATOM    711  C   PRO A  95       1.260   3.622  -6.816  1.00 17.74           C
+ATOM    712  O   PRO A  95       2.400   4.046  -6.219  1.00 22.38           O
+ATOM    713  CB  PRO A  95      -0.368   5.238  -6.654  1.00 22.16           C
+ATOM    714  CG  PRO A  95      -1.377   5.777  -7.565  1.00 21.38           C
+ATOM    715  CD  PRO A  95      -1.576   4.623  -8.536  1.00 20.78           C
+ATOM    716  N   VAL A  96       0.927   2.374  -6.618  1.00 13.01           N
+ATOM    717  CA  VAL A  96       1.730   1.539  -5.762  1.00 11.93           C
+ATOM    718  C   VAL A  96       3.098   1.350  -6.142  1.00 21.27           C
+ATOM    719  O   VAL A  96       4.069   1.031  -5.537  1.00 16.07           O
+ATOM    720  CB  VAL A  96       0.857   0.099  -5.620  1.00 29.83           C
+ATOM    721  CG1 VAL A  96       0.923  -0.687  -6.401  1.00 48.43           C
+ATOM    722  CG2 VAL A  96       1.322  -0.240  -4.779  1.00 70.91           C
+ATOM    723  N   ASN A  97       3.269   1.470  -7.559  1.00 15.63           N
+ATOM    724  CA  ASN A  97       4.615   1.047  -8.098  1.00 10.10           C
+ATOM    725  C   ASN A  97       5.675   2.262  -7.895  1.00  4.91           C
+ATOM    726  O   ASN A  97       6.828   1.839  -7.860  1.00  9.67           O
+ATOM    727  CB  ASN A  97       4.581   0.892  -9.670  1.00 13.43           C
+ATOM    728  CG  ASN A  97       3.716  -0.282  -9.938  1.00 17.91           C
+ATOM    729  OD1 ASN A  97       4.086  -1.378  -9.937  1.00 10.92           O
+ATOM    730  ND2 ASN A  97       2.339   0.119 -10.294  1.00 21.96           N
+ATOM    731  N   PHE A  98       5.251   3.390  -7.458  1.00  9.20           N
+ATOM    732  CA  PHE A  98       6.132   4.482  -7.110  1.00 12.10           C
+ATOM    733  C   PHE A  98       6.958   4.075  -5.773  1.00 12.02           C
+ATOM    734  O   PHE A  98       8.240   4.323  -5.676  1.00 11.50           O
+ATOM    735  CB  PHE A  98       5.590   5.923  -6.936  1.00 16.66           C
+ATOM    736  CG  PHE A  98       5.051   6.336  -8.208  1.00 14.23           C
+ATOM    737  CD1 PHE A  98       5.894   7.220  -8.806  1.00 16.70           C
+ATOM    738  CD2 PHE A  98       3.842   5.962  -8.759  1.00 12.76           C
+ATOM    739  CE1 PHE A  98       5.529   7.688  -9.904  1.00 23.57           C
+ATOM    740  CE2 PHE A  98       3.513   6.440 -10.107  1.00 15.74           C
+ATOM    741  CZ  PHE A  98       4.374   7.231 -10.516  1.00 17.50           C
+ATOM    742  N   LYS A  99       6.362   3.356  -4.846  1.00 13.69           N
+ATOM    743  CA  LYS A  99       7.109   2.770  -3.687  1.00 13.57           C
+ATOM    744  C   LYS A  99       7.912   1.744  -3.941  1.00 14.35           C
+ATOM    745  O   LYS A  99       9.044   1.864  -3.350  1.00 13.29           O
+ATOM    746  CB  LYS A  99       5.909   2.378  -2.665  1.00 22.01           C
+ATOM    747  CG  LYS A  99       5.016   2.967  -2.454  1.00 54.35           C
+ATOM    748  CD  LYS A  99       4.488   3.000  -1.609  1.00 72.56           C
+ATOM    749  CE  LYS A  99       2.959   1.795  -1.600  1.00 73.99           C
+ATOM    750  NZ  LYS A  99       1.741   2.896  -0.134  1.00 80.12           N
+ATOM    751  N   LEU A 100       7.785   1.013  -5.037  1.00  9.89           N
+ATOM    752  CA  LEU A 100       8.665  -0.028  -5.354  1.00  8.80           C
+ATOM    753  C   LEU A 100       9.884   0.546  -6.019  1.00  9.28           C
+ATOM    754  O   LEU A 100      11.014   0.165  -5.616  1.00 12.09           O
+ATOM    755  CB  LEU A 100       8.009  -1.084  -6.185  1.00 11.00           C
+ATOM    756  CG  LEU A 100       6.724  -1.520  -5.691  1.00 16.83           C
+ATOM    757  CD1 LEU A 100       6.069  -2.688  -6.703  1.00 20.94           C
+ATOM    758  CD2 LEU A 100       7.065  -2.491  -4.548  1.00 18.49           C
+ATOM    759  N   LEU A 101       9.812   1.484  -6.927  1.00  8.39           N
+ATOM    760  CA  LEU A 101      10.986   2.076  -7.511  1.00 10.30           C
+ATOM    761  C   LEU A 101      11.701   2.979  -6.551  1.00 14.49           C
+ATOM    762  O   LEU A 101      12.986   2.948  -6.333  1.00 16.14           O
+ATOM    763  CB  LEU A 101      10.485   2.971  -8.570  1.00 11.44           C
+ATOM    764  CG  LEU A 101      11.708   3.704  -9.282  1.00 15.06           C
+ATOM    765  CD1 LEU A 101      12.805   2.937  -9.771  1.00 17.72           C
+ATOM    766  CD2 LEU A 101      11.060   4.651 -10.427  1.00 19.38           C
+ATOM    767  N   SER A 102      11.019   3.662  -5.475  1.00 15.17           N
+ATOM    768  CA  SER A 102      11.653   4.426  -4.454  1.00  9.19           C
+ATOM    769  C   SER A 102      12.577   3.423  -3.620  1.00  9.91           C
+ATOM    770  O   SER A 102      13.768   3.831  -3.267  1.00 14.07           O
+ATOM    771  CB  SER A 102      10.597   5.003  -3.570  1.00 12.36           C
+ATOM    772  OG  SER A 102       9.919   6.079  -4.248  1.00 16.52           O
+ATOM    773  N   HIS A 103      12.034   2.275  -3.168  1.00 12.27           N
+ATOM    774  CA  HIS A 103      12.685   1.217  -2.471  1.00 10.16           C
+ATOM    775  C   HIS A 103      14.063   1.009  -3.068  1.00 13.13           C
+ATOM    776  O   HIS A 103      15.226   0.862  -2.602  1.00 13.37           O
+ATOM    777  CB  HIS A 103      11.949   0.073  -2.013  1.00 12.31           C
+ATOM    778  CG  HIS A 103      12.674  -1.002  -1.380  1.00 10.33           C
+ATOM    779  ND1 HIS A 103      12.899  -2.229  -2.007  1.00 10.01           N
+ATOM    780  CD2 HIS A 103      13.318  -0.937  -0.179  1.00  9.56           C
+ATOM    781  CE1 HIS A 103      13.687  -2.798  -1.043  1.00 12.63           C
+ATOM    782  NE2 HIS A 103      14.053  -2.093   0.083  1.00 10.77           N
+ATOM    783  N   CYS A 104      13.914   0.657  -4.439  1.00 11.06           N
+ATOM    784  CA  CYS A 104      15.233   0.205  -5.307  1.00 11.72           C
+ATOM    785  C   CYS A 104      16.049   1.418  -5.518  1.00  9.58           C
+ATOM    786  O   CYS A 104      17.228   1.081  -5.567  1.00 14.10           O
+ATOM    787  CB  CYS A 104      14.671  -0.439  -6.552  1.00 16.81           C
+ATOM    788  SG  CYS A 104      13.797  -1.958  -6.414  1.00 14.76           S
+ATOM    789  N   LEU A 105      15.618   2.594  -5.516  1.00  7.99           N
+ATOM    790  CA  LEU A 105      16.723   3.634  -5.593  1.00 10.43           C
+ATOM    791  C   LEU A 105      17.448   3.890  -4.202  1.00 11.96           C
+ATOM    792  O   LEU A 105      18.594   3.985  -4.326  1.00 15.19           O
+ATOM    793  CB  LEU A 105      15.765   4.895  -6.092  1.00 16.93           C
+ATOM    794  CG  LEU A 105      15.765   5.438  -7.260  1.00 44.57           C
+ATOM    795  CD1 LEU A 105      14.641   6.498  -7.442  1.00 40.98           C
+ATOM    796  CD2 LEU A 105      16.687   5.564  -8.008  1.00 33.21           C
+ATOM    797  N   LEU A 106      16.617   3.676  -3.143  1.00 10.40           N
+ATOM    798  CA  LEU A 106      17.322   3.635  -1.869  1.00 15.02           C
+ATOM    799  C   LEU A 106      18.190   2.641  -1.668  1.00 13.79           C
+ATOM    800  O   LEU A 106      19.481   2.857  -1.263  1.00 13.12           O
+ATOM    801  CB  LEU A 106      16.241   3.634  -0.757  1.00 16.59           C
+ATOM    802  CG  LEU A 106      15.821   4.348   0.036  1.00 26.87           C
+ATOM    803  CD1 LEU A 106      14.832   4.036   0.973  1.00 28.01           C
+ATOM    804  CD2 LEU A 106      16.399   5.824   0.153  1.00 18.73           C
+ATOM    805  N   VAL A 107      18.054   1.391  -2.126  1.00  9.58           N
+ATOM    806  CA  VAL A 107      18.953   0.372  -2.172  1.00 10.69           C
+ATOM    807  C   VAL A 107      20.116   0.640  -3.008  1.00 12.39           C
+ATOM    808  O   VAL A 107      21.316   0.322  -2.651  1.00 13.09           O
+ATOM    809  CB  VAL A 107      18.301  -0.968  -2.671  1.00 14.48           C
+ATOM    810  CG1 VAL A 107      19.286  -1.955  -2.913  1.00 19.64           C
+ATOM    811  CG2 VAL A 107      17.236  -1.532  -1.566  1.00 13.81           C
+ATOM    812  N   THR A 108      19.963   1.288  -4.127  1.00 12.66           N
+ATOM    813  CA  THR A 108      21.110   1.595  -5.027  1.00 11.04           C
+ATOM    814  C   THR A 108      21.986   2.516  -4.350  1.00 11.25           C
+ATOM    815  O   THR A 108      23.209   2.402  -4.407  1.00 13.68           O
+ATOM    816  CB  THR A 108      20.373   2.089  -6.467  1.00  8.55           C
+ATOM    817  OG1 THR A 108      19.740   1.009  -7.110  1.00  9.51           O
+ATOM    818  CG2 THR A 108      21.547   2.322  -7.342  1.00 15.85           C
+ATOM    819  N   LEU A 109      21.371   3.638  -3.771  1.00 11.20           N
+ATOM    820  CA  LEU A 109      22.189   4.682  -3.080  1.00 12.61           C
+ATOM    821  C   LEU A 109      23.015   3.976  -1.882  1.00 16.09           C
+ATOM    822  O   LEU A 109      24.210   4.291  -1.739  1.00 14.60           O
+ATOM    823  CB  LEU A 109      21.280   5.707  -2.657  1.00 17.08           C
+ATOM    824  CG  LEU A 109      20.748   6.795  -3.713  1.00 24.50           C
+ATOM    825  CD1 LEU A 109      19.679   7.424  -3.306  1.00 22.52           C
+ATOM    826  CD2 LEU A 109      21.379   6.943  -4.782  1.00 32.08           C
+ATOM    827  N   ALA A 110      22.243   3.090  -1.228  1.00 13.55           N
+ATOM    828  CA  ALA A 110      22.985   2.551  -0.107  1.00 19.86           C
+ATOM    829  C   ALA A 110      24.128   1.797  -0.396  1.00 18.59           C
+ATOM    830  O   ALA A 110      25.285   1.654   0.094  1.00 14.76           O
+ATOM    831  CB  ALA A 110      21.957   1.572   0.573  1.00 17.34           C
+ATOM    832  N   ALA A 111      24.211   0.998  -1.558  1.00 15.15           N
+ATOM    833  CA  ALA A 111      25.062   0.161  -2.216  1.00 13.42           C
+ATOM    834  C   ALA A 111      26.376   1.017  -2.643  1.00 16.84           C
+ATOM    835  O   ALA A 111      27.331   0.420  -2.883  1.00 21.50           O
+ATOM    836  CB  ALA A 111      24.726  -0.813  -3.252  1.00 16.85           C
+ATOM    837  N   HIS A 112      26.089   2.220  -3.063  1.00 17.71           N
+ATOM    838  CA  HIS A 112      27.174   3.032  -3.686  1.00 25.83           C
+ATOM    839  C   HIS A 112      27.556   4.174  -2.656  1.00 21.86           C
+ATOM    840  O   HIS A 112      28.710   4.609  -3.162  1.00 23.07           O
+ATOM    841  CB  HIS A 112      26.642   3.736  -5.093  1.00 17.12           C
+ATOM    842  CG  HIS A 112      26.500   2.730  -6.083  1.00 18.91           C
+ATOM    843  ND1 HIS A 112      27.696   2.669  -6.792  1.00 20.25           N
+ATOM    844  CD2 HIS A 112      25.457   2.082  -6.643  1.00 13.97           C
+ATOM    845  CE1 HIS A 112      27.065   1.572  -7.791  1.00 16.16           C
+ATOM    846  NE2 HIS A 112      25.728   1.142  -7.624  1.00 16.17           N
+ATOM    847  N   LEU A 113      26.962   4.473  -1.633  1.00 16.18           N
+ATOM    848  CA  LEU A 113      27.430   5.708  -0.856  1.00 18.52           C
+ATOM    849  C   LEU A 113      27.676   5.161   0.490  1.00 15.09           C
+ATOM    850  O   LEU A 113      26.991   5.652   1.418  1.00 22.00           O
+ATOM    851  CB  LEU A 113      26.385   6.569  -0.567  1.00 26.60           C
+ATOM    852  CG  LEU A 113      25.991   7.546  -1.915  1.00 26.91           C
+ATOM    853  CD1 LEU A 113      25.025   8.844  -1.799  1.00 38.78           C
+ATOM    854  CD2 LEU A 113      27.117   7.882  -2.870  1.00 35.29           C
+ATOM    855  N   PRO A 114      28.523   4.242   0.795  1.00 18.92           N
+ATOM    856  CA  PRO A 114      28.714   3.528   2.218  1.00 24.61           C
+ATOM    857  C   PRO A 114      29.102   4.799   3.218  1.00 23.92           C
+ATOM    858  O   PRO A 114      28.415   4.826   4.106  1.00 21.99           O
+ATOM    859  CB  PRO A 114      30.033   2.940   1.849  1.00 23.94           C
+ATOM    860  CG  PRO A 114      30.698   3.344   0.612  1.00 18.92           C
+ATOM    861  CD  PRO A 114      29.469   3.904  -0.168  1.00 16.59           C
+ATOM    862  N   ALA A 115      29.794   5.877   2.767  1.00 18.42           N
+ATOM    863  CA  ALA A 115      30.159   6.863   3.921  1.00 21.98           C
+ATOM    864  C   ALA A 115      28.895   7.716   4.285  1.00 22.41           C
+ATOM    865  O   ALA A 115      28.703   8.192   5.284  1.00 22.94           O
+ATOM    866  CB  ALA A 115      31.247   7.657   3.369  1.00 30.20           C
+ATOM    867  N   GLU A 116      28.136   8.035   3.290  1.00 15.58           N
+ATOM    868  CA  GLU A 116      27.073   9.160   3.429  1.00 17.43           C
+ATOM    869  C   GLU A 116      25.648   8.548   3.788  1.00 15.97           C
+ATOM    870  O   GLU A 116      24.768   9.367   4.171  1.00 23.49           O
+ATOM    871  CB  GLU A 116      26.875   9.750   1.910  1.00 21.21           C
+ATOM    872  CG  GLU A 116      27.948  10.674   1.482  1.00 24.18           C
+ATOM    873  CD  GLU A 116      28.950   9.665   0.967  1.00 26.12           C
+ATOM    874  OE1 GLU A 116      28.992   8.438   0.543  1.00 28.16           O
+ATOM    875  OE2 GLU A 116      30.132  10.301   0.462  1.00 33.82           O
+ATOM    876  N   PHE A 117      25.414   7.310   3.661  1.00 16.62           N
+ATOM    877  CA  PHE A 117      24.245   6.614   3.985  1.00 14.17           C
+ATOM    878  C   PHE A 117      23.918   6.335   5.559  1.00 17.74           C
+ATOM    879  O   PHE A 117      23.649   5.222   5.819  1.00 19.92           O
+ATOM    880  CB  PHE A 117      23.936   5.421   3.086  1.00 12.47           C
+ATOM    881  CG  PHE A 117      22.448   4.906   2.825  1.00  9.61           C
+ATOM    882  CD1 PHE A 117      21.681   5.713   2.037  1.00 15.09           C
+ATOM    883  CD2 PHE A 117      22.071   3.807   3.568  1.00 15.73           C
+ATOM    884  CE1 PHE A 117      20.396   5.197   1.858  1.00 17.90           C
+ATOM    885  CE2 PHE A 117      20.593   3.448   3.517  1.00 23.05           C
+ATOM    886  CZ  PHE A 117      19.914   4.171   2.606  1.00 14.00           C
+ATOM    887  N   THR A 118      23.856   7.434   6.252  1.00 11.56           N
+ATOM    888  CA  THR A 118      23.660   7.280   7.655  1.00 10.93           C
+ATOM    889  C   THR A 118      22.259   6.982   7.820  1.00 15.34           C
+ATOM    890  O   THR A 118      21.447   7.435   7.051  1.00 14.33           O
+ATOM    891  CB  THR A 118      23.982   8.621   8.138  1.00 22.78           C
+ATOM    892  OG1 THR A 118      23.375   9.780   7.827  1.00 25.00           O
+ATOM    893  CG2 THR A 118      25.586   8.842   8.226  1.00 25.00           C
+ATOM    894  N   PRO A 119      21.833   6.884   9.086  1.00 16.93           N
+ATOM    895  CA  PRO A 119      20.398   6.708   9.436  1.00  7.97           C
+ATOM    896  C   PRO A 119      19.633   7.821   9.121  1.00  9.71           C
+ATOM    897  O   PRO A 119      18.484   7.899   8.632  1.00 13.14           O
+ATOM    898  CB  PRO A 119      20.352   6.336  10.909  1.00 15.02           C
+ATOM    899  CG  PRO A 119      21.556   5.500  11.105  1.00 20.08           C
+ATOM    900  CD  PRO A 119      22.686   6.188  10.125  1.00 23.85           C
+ATOM    901  N   ALA A 120      20.184   9.026   9.484  1.00 18.30           N
+ATOM    902  CA  ALA A 120      19.624  10.215   9.304  1.00 20.48           C
+ATOM    903  C   ALA A 120      19.441  10.650   7.769  1.00 11.11           C
+ATOM    904  O   ALA A 120      18.342  11.025   7.255  1.00 14.90           O
+ATOM    905  CB  ALA A 120      20.042  11.527  10.014  1.00 21.25           C
+ATOM    906  N   VAL A 121      20.278  10.312   7.027  1.00 15.02           N
+ATOM    907  CA  VAL A 121      20.243  10.488   5.614  1.00 11.64           C
+ATOM    908  C   VAL A 121      19.214   9.526   4.899  1.00 13.80           C
+ATOM    909  O   VAL A 121      18.469   9.919   4.066  1.00 15.60           O
+ATOM    910  CB  VAL A 121      21.606  10.473   4.939  1.00 16.28           C
+ATOM    911  CG1 VAL A 121      21.595  10.524   3.309  1.00 17.80           C
+ATOM    912  CG2 VAL A 121      22.496  11.659   5.330  1.00 19.30           C
+ATOM    913  N   HIS A 122      19.312   8.350   5.306  1.00 15.45           N
+ATOM    914  CA  HIS A 122      18.254   7.136   4.913  1.00 11.57           C
+ATOM    915  C   HIS A 122      16.950   7.952   5.022  1.00 13.88           C
+ATOM    916  O   HIS A 122      16.085   7.716   4.230  1.00 13.87           O
+ATOM    917  CB  HIS A 122      18.754   5.950   5.667  1.00 12.36           C
+ATOM    918  CG  HIS A 122      17.848   4.887   5.471  1.00 15.49           C
+ATOM    919  ND1 HIS A 122      18.318   3.588   6.013  1.00 14.41           N
+ATOM    920  CD2 HIS A 122      16.770   4.643   4.716  1.00 16.00           C
+ATOM    921  CE1 HIS A 122      17.238   2.617   5.530  1.00 20.76           C
+ATOM    922  NE2 HIS A 122      16.304   3.230   4.756  1.00 17.17           N
+ATOM    923  N   ALA A 123      16.659   8.268   6.248  1.00 12.31           N
+ATOM    924  CA  ALA A 123      15.409   8.791   6.637  1.00 12.34           C
+ATOM    925  C   ALA A 123      14.961   9.969   5.694  1.00 12.36           C
+ATOM    926  O   ALA A 123      13.756  10.012   5.125  1.00 16.22           O
+ATOM    927  CB  ALA A 123      15.295   9.229   8.074  1.00 18.20           C
+ATOM    928  N   SER A 124      15.970  10.909   5.411  1.00 11.72           N
+ATOM    929  CA  SER A 124      15.641  12.024   4.678  1.00 15.71           C
+ATOM    930  C   SER A 124      15.409  11.594   3.146  1.00 11.97           C
+ATOM    931  O   SER A 124      14.491  12.176   2.530  1.00 13.78           O
+ATOM    932  CB  SER A 124      16.719  13.075   4.649  1.00 17.31           C
+ATOM    933  OG  SER A 124      16.856  13.618   5.975  1.00 19.36           O
+ATOM    934  N   LEU A 125      16.244  10.663   2.745  1.00 11.45           N
+ATOM    935  CA  LEU A 125      16.012  10.336   1.348  1.00  9.77           C
+ATOM    936  C   LEU A 125      14.814   9.607   1.165  1.00 13.87           C
+ATOM    937  O   LEU A 125      14.134   9.697   0.072  1.00 12.03           O
+ATOM    938  CB  LEU A 125      17.131   9.446   0.945  1.00 14.61           C
+ATOM    939  CG  LEU A 125      18.555   9.965   0.565  1.00 15.39           C
+ATOM    940  CD1 LEU A 125      19.590   8.976   0.528  1.00 26.84           C
+ATOM    941  CD2 LEU A 125      18.455  10.851  -0.577  1.00 19.46           C
+ATOM    942  N   ASP A 126      14.277   8.735   2.034  1.00 13.89           N
+ATOM    943  CA  ASP A 126      13.042   7.997   2.040  1.00 14.28           C
+ATOM    944  C   ASP A 126      11.977   8.930   1.898  1.00 13.60           C
+ATOM    945  O   ASP A 126      10.911   8.959   1.188  1.00 12.25           O
+ATOM    946  CB  ASP A 126      12.901   7.025   3.127  1.00  9.77           C
+ATOM    947  CG  ASP A 126      11.751   5.958   3.086  1.00 17.51           C
+ATOM    948  OD1 ASP A 126      11.597   5.517   1.933  1.00 22.67           O
+ATOM    949  OD2 ASP A 126      10.812   6.013   3.738  1.00 20.83           O
+ATOM    950  N   LYS A 127      11.945  10.077   2.732  1.00 11.87           N
+ATOM    951  CA  LYS A 127      11.051  11.143   2.756  1.00 11.94           C
+ATOM    952  C   LYS A 127      11.080  11.794   1.382  1.00 16.34           C
+ATOM    953  O   LYS A 127       9.925  12.173   0.922  1.00 15.26           O
+ATOM    954  CB  LYS A 127      11.131  11.830   4.210  1.00 27.23           C
+ATOM    955  CG  LYS A 127      10.719  12.405   4.298  1.00 41.38           C
+ATOM    956  CD  LYS A 127      10.893  12.716   6.240  1.00 22.35           C
+ATOM    957  CE  LYS A 127      10.245  13.990   6.093  1.00 24.85           C
+ATOM    958  NZ  LYS A 127      10.431  14.893   7.319  1.00 27.43           N
+ATOM    959  N   PHE A 128      12.109  12.155   0.978  1.00  9.60           N
+ATOM    960  CA  PHE A 128      12.219  12.896  -0.315  1.00  9.45           C
+ATOM    961  C   PHE A 128      11.648  12.055  -1.437  1.00 11.35           C
+ATOM    962  O   PHE A 128      10.825  12.624  -2.222  1.00 13.72           O
+ATOM    963  CB  PHE A 128      13.691  13.118  -0.597  1.00 10.04           C
+ATOM    964  CG  PHE A 128      13.845  13.645  -2.016  1.00 12.71           C
+ATOM    965  CD1 PHE A 128      13.433  15.022  -2.350  1.00 22.47           C
+ATOM    966  CD2 PHE A 128      14.442  12.953  -2.821  1.00 15.10           C
+ATOM    967  CE1 PHE A 128      13.646  15.369  -3.684  1.00 21.90           C
+ATOM    968  CE2 PHE A 128      15.006  13.229  -4.197  1.00 24.41           C
+ATOM    969  CZ  PHE A 128      14.491  14.511  -4.397  1.00 19.00           C
+ATOM    970  N   LEU A 129      11.863  10.701  -1.438  1.00 10.92           N
+ATOM    971  CA  LEU A 129      11.247   9.983  -2.588  1.00  8.59           C
+ATOM    972  C   LEU A 129       9.888   9.762  -2.445  1.00 15.58           C
+ATOM    973  O   LEU A 129       9.123   9.780  -3.420  1.00 12.33           O
+ATOM    974  CB  LEU A 129      11.971   8.639  -2.709  1.00 11.08           C
+ATOM    975  CG  LEU A 129      13.553   8.574  -3.067  1.00 16.43           C
+ATOM    976  CD1 LEU A 129      14.162   7.385  -2.920  1.00 21.21           C
+ATOM    977  CD2 LEU A 129      13.509   9.197  -4.648  1.00 24.11           C
+ATOM    978  N   ALA A 130       9.315   9.777  -1.285  1.00 13.59           N
+ATOM    979  CA  ALA A 130       7.861   9.751  -0.992  1.00 12.80           C
+ATOM    980  C   ALA A 130       7.198  11.000  -1.487  1.00 13.10           C
+ATOM    981  O   ALA A 130       6.124  11.123  -2.087  1.00 16.72           O
+ATOM    982  CB  ALA A 130       7.566   9.549   0.507  1.00 11.70           C
+ATOM    983  N   SER A 131       7.929  12.205  -1.316  1.00 12.15           N
+ATOM    984  CA  SER A 131       7.318  13.421  -1.788  1.00 17.97           C
+ATOM    985  C   SER A 131       7.403  13.484  -3.383  1.00 14.23           C
+ATOM    986  O   SER A 131       6.313  14.078  -3.819  1.00 17.89           O
+ATOM    987  CB  SER A 131       8.230  14.652  -1.217  1.00 19.09           C
+ATOM    988  OG  SER A 131       7.985  14.599  -0.027  1.00 34.89           O
+ATOM    989  N   VAL A 132       8.509  13.092  -3.817  1.00 11.02           N
+ATOM    990  CA  VAL A 132       8.474  13.187  -5.332  1.00 13.44           C
+ATOM    991  C   VAL A 132       7.379  12.239  -5.739  1.00 13.26           C
+ATOM    992  O   VAL A 132       6.574  12.766  -6.727  1.00 14.28           O
+ATOM    993  CB  VAL A 132       9.676  12.669  -5.775  1.00 17.47           C
+ATOM    994  CG1 VAL A 132       9.886  12.366  -7.268  1.00 23.96           C
+ATOM    995  CG2 VAL A 132      10.893  13.605  -5.556  1.00 15.24           C
+ATOM    996  N   SER A 133       7.084  11.034  -5.279  1.00 11.44           N
+ATOM    997  CA  SER A 133       6.003  10.145  -5.616  1.00 14.28           C
+ATOM    998  C   SER A 133       4.653  10.824  -5.346  1.00 22.70           C
+ATOM    999  O   SER A 133       3.857  10.661  -6.312  1.00 18.73           O
+ATOM   1000  CB  SER A 133       6.206   8.913  -4.797  1.00 14.07           C
+ATOM   1001  OG  SER A 133       7.326   8.157  -5.136  1.00 16.41           O
+ATOM   1002  N   THR A 134       4.415  11.603  -4.390  1.00 14.75           N
+ATOM   1003  CA  THR A 134       3.185  12.188  -4.293  1.00 11.93           C
+ATOM   1004  C   THR A 134       3.018  13.180  -5.135  1.00 12.33           C
+ATOM   1005  O   THR A 134       1.906  13.411  -5.657  1.00 15.87           O
+ATOM   1006  CB  THR A 134       3.337  12.691  -2.840  1.00 23.98           C
+ATOM   1007  OG1 THR A 134       3.226  11.963  -1.926  1.00 24.65           O
+ATOM   1008  CG2 THR A 134       2.127  13.740  -2.527  1.00 35.48           C
+ATOM   1009  N   VAL A 135       3.914  14.063  -5.633  1.00 16.85           N
+ATOM   1010  CA  VAL A 135       3.773  15.122  -6.561  1.00 15.02           C
+ATOM   1011  C   VAL A 135       3.692  14.401  -7.901  1.00 18.49           C
+ATOM   1012  O   VAL A 135       2.676  14.854  -8.623  1.00 17.84           O
+ATOM   1013  CB  VAL A 135       5.097  16.044  -6.643  1.00 21.41           C
+ATOM   1014  CG1 VAL A 135       5.125  16.829  -7.908  1.00 28.88           C
+ATOM   1015  CG2 VAL A 135       5.265  16.767  -5.381  1.00 18.54           C
+ATOM   1016  N   LEU A 136       4.254  13.322  -8.291  1.00 15.13           N
+ATOM   1017  CA  LEU A 136       3.951  12.616  -9.538  1.00 14.14           C
+ATOM   1018  C   LEU A 136       2.480  12.083  -9.717  1.00 16.82           C
+ATOM   1019  O   LEU A 136       2.071  11.725 -10.914  1.00 16.56           O
+ATOM   1020  CB  LEU A 136       5.082  11.671  -9.878  1.00 19.05           C
+ATOM   1021  CG  LEU A 136       6.468  12.174 -10.486  1.00 19.99           C
+ATOM   1022  CD1 LEU A 136       7.357  11.046 -10.401  1.00 23.33           C
+ATOM   1023  CD2 LEU A 136       6.502  13.371 -11.272  1.00 20.84           C
+ATOM   1024  N   THR A 137       1.951  11.790  -8.618  1.00 14.14           N
+ATOM   1025  CA  THR A 137       0.509  10.996  -8.584  1.00 17.11           C
+ATOM   1026  C   THR A 137      -0.385  12.070  -8.267  1.00 15.43           C
+ATOM   1027  O   THR A 137      -1.637  11.700  -8.230  1.00 15.99           O
+ATOM   1028  CB  THR A 137       0.560   9.964  -6.978  1.00 17.27           C
+ATOM   1029  OG1 THR A 137       1.278   8.939  -8.074  1.00 28.37           O
+ATOM   1030  CG2 THR A 137       1.320  10.263  -6.388  1.00 47.04           C
+ATOM   1031  N   SER A 138      -0.164  13.266  -8.168  1.00 16.91           N
+ATOM   1032  CA  SER A 138      -0.947  14.363  -7.753  1.00 23.51           C
+ATOM   1033  C   SER A 138      -2.266  14.743  -8.597  1.00 23.60           C
+ATOM   1034  O   SER A 138      -3.250  14.937  -8.017  1.00 27.80           O
+ATOM   1035  CB  SER A 138       0.046  16.222  -7.976  1.00 22.76           C
+ATOM   1036  OG  SER A 138      -0.261  15.617  -6.862  1.00 45.85           O
+ATOM   1037  N   LYS A 139      -2.026  14.453  -9.807  1.00 19.13           N
+ATOM   1038  CA  LYS A 139      -3.058  14.995 -10.892  1.00 21.43           C
+ATOM   1039  C   LYS A 139      -3.804  13.721 -11.284  1.00 18.35           C
+ATOM   1040  O   LYS A 139      -4.384  13.814 -12.266  1.00 22.16           O
+ATOM   1041  CB  LYS A 139      -2.474  15.794 -11.975  1.00 24.13           C
+ATOM   1042  CG  LYS A 139      -1.839  16.973 -11.481  1.00 28.98           C
+ATOM   1043  CD  LYS A 139      -0.886  17.619 -12.549  1.00 33.18           C
+ATOM   1044  CE  LYS A 139      -0.495  18.885 -12.192  1.00 52.82           C
+ATOM   1045  NZ  LYS A 139       0.788  19.253 -13.621  1.00 55.02           N
+ATOM   1046  N   TYR A 140      -3.715  12.530 -10.777  1.00 17.12           N
+ATOM   1047  CA  TYR A 140      -4.275  11.374 -11.162  1.00 22.48           C
+ATOM   1048  C   TYR A 140      -5.830  11.291 -11.160  1.00 18.75           C
+ATOM   1049  O   TYR A 140      -6.423  10.704 -12.162  1.00 22.47           O
+ATOM   1050  CB  TYR A 140      -3.896  10.028 -10.426  1.00 23.15           C
+ATOM   1051  CG  TYR A 140      -2.655   9.444 -11.006  1.00 15.57           C
+ATOM   1052  CD1 TYR A 140      -2.495   7.940 -11.096  1.00 16.98           C
+ATOM   1053  CD2 TYR A 140      -1.471  10.093 -11.392  1.00 18.11           C
+ATOM   1054  CE1 TYR A 140      -1.296   7.400 -11.625  1.00 19.97           C
+ATOM   1055  CE2 TYR A 140      -0.267   9.379 -11.806  1.00 14.94           C
+ATOM   1056  CZ  TYR A 140      -0.246   7.948 -11.911  1.00 17.89           C
+ATOM   1057  OH  TYR A 140       0.808   7.493 -12.283  1.00 18.05           O
+ATOM   1058  N   ARG A 141      -6.399  12.034 -10.391  1.00 17.59           N
+ATOM   1059  CA  ARG A 141      -8.000  12.137 -10.191  1.00 24.58           C
+ATOM   1060  C   ARG A 141      -8.327  13.610  -9.572  1.00 44.44           C
+ATOM   1061  O   ARG A 141      -7.492  14.016  -8.882  1.00 21.81           O
+ATOM   1062  CB  ARG A 141      -8.478  10.914  -9.869  1.00 33.40           C
+ATOM   1063  CG  ARG A 141      -8.068  10.650  -8.145  1.00 17.28           C
+ATOM   1064  CD  ARG A 141      -9.053   9.446  -7.867  1.00 14.66           C
+ATOM   1065  NE  ARG A 141      -8.372   9.269  -6.610  1.00 22.73           N
+ATOM   1066  CZ  ARG A 141      -9.233   8.420  -5.781  1.00 26.88           C
+ATOM   1067  NH1 ARG A 141     -10.147   7.455  -6.079  1.00 23.24           N
+ATOM   1068  NH2 ARG A 141      -8.672   8.328  -4.506  1.00 33.34           N
+ATOM   1069  OXT ARG A 141      -9.474  13.682  -9.742  1.00 31.52           O
+TER    1070      ARG A 141
+ATOM   1071  N   VAL B   1       9.223 -20.614   1.365  1.00 46.08           N
+ATOM   1072  CA  VAL B   1       8.694 -20.026  -0.123  1.00 70.96           C
+ATOM   1073  C   VAL B   1       9.668 -21.068  -1.645  1.00 69.74           C
+ATOM   1074  O   VAL B   1       9.370 -22.612  -0.994  1.00 71.82           O
+ATOM   1075  CB  VAL B   1       9.283 -18.281  -0.381  1.00 59.18           C
+ATOM   1076  CG1 VAL B   1       7.449 -17.518  -0.791  1.00 57.89           C
+ATOM   1077  CG2 VAL B   1      10.416 -18.038   0.066  1.00 44.20           C
+ATOM   1078  N   HIS B   2       9.270 -20.650  -2.180  1.00 53.55           N
+ATOM   1079  CA  HIS B   2      10.245 -21.378  -3.143  1.00 62.62           C
+ATOM   1080  C   HIS B   2      11.419 -20.331  -4.099  1.00 51.71           C
+ATOM   1081  O   HIS B   2      11.252 -19.250  -5.024  1.00 48.42           O
+ATOM   1082  CB  HIS B   2       9.225 -20.955  -4.825  1.00 62.58           C
+ATOM   1083  CG  HIS B   2       9.378 -21.082  -5.634  1.00 73.96           C
+ATOM   1084  ND1 HIS B   2       9.645 -19.683  -6.869  1.00 80.12           N
+ATOM   1085  CD2 HIS B   2      10.077 -22.950  -6.116  1.00 63.02           C
+ATOM   1086  CE1 HIS B   2      10.672 -21.165  -8.087  1.00 76.40           C
+ATOM   1087  NE2 HIS B   2      11.344 -22.584  -7.734  1.00 62.86           N
+ATOM   1088  N   LEU B   3      12.365 -20.722  -3.649  1.00 43.89           N
+ATOM   1089  CA  LEU B   3      13.611 -20.183  -4.477  1.00 43.79           C
+ATOM   1090  C   LEU B   3      14.557 -21.356  -5.125  1.00 32.77           C
+ATOM   1091  O   LEU B   3      14.340 -22.536  -4.780  1.00 41.84           O
+ATOM   1092  CB  LEU B   3      14.522 -19.852  -2.996  1.00 28.80           C
+ATOM   1093  CG  LEU B   3      13.980 -18.598  -2.183  1.00 28.70           C
+ATOM   1094  CD1 LEU B   3      14.846 -18.445  -1.199  1.00 63.39           C
+ATOM   1095  CD2 LEU B   3      14.509 -17.517  -3.001  1.00 32.10           C
+ATOM   1096  N   THR B   4      14.840 -20.756  -6.280  1.00 42.35           N
+ATOM   1097  CA  THR B   4      15.864 -21.825  -6.744  1.00 41.74           C
+ATOM   1098  C   THR B   4      16.873 -22.187  -6.071  1.00 36.91           C
+ATOM   1099  O   THR B   4      17.370 -21.395  -5.237  1.00 31.57           O
+ATOM   1100  CB  THR B   4      15.949 -21.050  -8.090  1.00 38.91           C
+ATOM   1101  OG1 THR B   4      16.952 -20.015  -8.082  1.00 52.85           O
+ATOM   1102  CG2 THR B   4      14.967 -20.467  -9.056  1.00 56.94           C
+ATOM   1103  N   PRO B   5      17.854 -23.111  -6.524  1.00 45.56           N
+ATOM   1104  CA  PRO B   5      18.731 -23.731  -6.023  1.00 47.54           C
+ATOM   1105  C   PRO B   5      19.935 -22.444  -5.760  1.00 37.80           C
+ATOM   1106  O   PRO B   5      20.658 -22.372  -4.793  1.00 33.06           O
+ATOM   1107  CB  PRO B   5      19.534 -24.900  -6.291  1.00 62.12           C
+ATOM   1108  CG  PRO B   5      18.296 -25.318  -7.157  1.00 42.55           C
+ATOM   1109  CD  PRO B   5      17.186 -24.560  -7.385  1.00 48.08           C
+ATOM   1110  N   GLU B   6      19.819 -21.815  -6.978  1.00 27.00           N
+ATOM   1111  CA  GLU B   6      20.898 -20.991  -7.230  1.00 34.37           C
+ATOM   1112  C   GLU B   6      20.521 -19.635  -6.155  1.00 23.02           C
+ATOM   1113  O   GLU B   6      21.687 -18.920  -5.617  1.00 28.54           O
+ATOM   1114  CB  GLU B   6      20.842 -20.165  -8.661  1.00 37.20           C
+ATOM   1115  CG  GLU B   6      20.141 -19.957  -9.396  1.00 66.65           C
+ATOM   1116  CD  GLU B   6      19.153 -21.597 -10.181  1.00 60.44           C
+ATOM   1117  OE1 GLU B   6      20.183 -22.830  -9.731  1.00 63.16           O
+ATOM   1118  OE2 GLU B   6      18.299 -21.975 -10.007  1.00 70.62           O
+ATOM   1119  N   GLU B   7      19.362 -19.413  -5.964  1.00 31.47           N
+ATOM   1120  CA  GLU B   7      18.560 -18.284  -5.124  1.00 34.08           C
+ATOM   1121  C   GLU B   7      19.160 -18.789  -3.682  1.00 21.49           C
+ATOM   1122  O   GLU B   7      19.620 -17.847  -3.008  1.00 27.04           O
+ATOM   1123  CB  GLU B   7      17.625 -18.097  -5.359  1.00 35.55           C
+ATOM   1124  CG  GLU B   7      17.103 -17.196  -6.791  1.00 33.74           C
+ATOM   1125  CD  GLU B   7      15.759 -16.911  -6.659  1.00 31.89           C
+ATOM   1126  OE1 GLU B   7      15.476 -15.756  -7.225  1.00 52.51           O
+ATOM   1127  OE2 GLU B   7      14.748 -17.803  -6.419  1.00 32.56           O
+ATOM   1128  N   LYS B   8      18.747 -19.865  -3.237  1.00 26.08           N
+ATOM   1129  CA  LYS B   8      19.026 -20.305  -2.016  1.00 32.23           C
+ATOM   1130  C   LYS B   8      20.466 -20.216  -1.796  1.00 26.59           C
+ATOM   1131  O   LYS B   8      21.162 -19.731  -0.601  1.00 26.11           O
+ATOM   1132  CB  LYS B   8      18.395 -21.925  -1.875  1.00 36.34           C
+ATOM   1133  CG  LYS B   8      18.802 -22.252  -1.182  1.00 64.20           C
+ATOM   1134  CD  LYS B   8      18.769 -23.771  -0.248  1.00 73.64           C
+ATOM   1135  CE  LYS B   8      19.461 -24.137   0.849  1.00 79.30           C
+ATOM   1136  NZ  LYS B   8      19.874 -26.365   1.034  1.00 66.73           N
+ATOM   1137  N   SER B   9      21.467 -20.675  -2.533  1.00 23.88           N
+ATOM   1138  CA  SER B   9      22.559 -20.677  -2.426  1.00 36.76           C
+ATOM   1139  C   SER B   9      23.490 -19.070  -2.230  1.00 37.61           C
+ATOM   1140  O   SER B   9      24.284 -18.831  -1.430  1.00 28.84           O
+ATOM   1141  CB  SER B   9      23.619 -21.853  -3.256  1.00 36.63           C
+ATOM   1142  OG  SER B   9      23.958 -20.627  -4.033  1.00 64.02           O
+ATOM   1143  N   ALA B  10      22.719 -18.196  -3.034  1.00 21.54           N
+ATOM   1144  CA  ALA B  10      23.262 -17.029  -2.963  1.00 32.77           C
+ATOM   1145  C   ALA B  10      22.792 -16.202  -1.459  1.00 23.64           C
+ATOM   1146  O   ALA B  10      23.628 -15.408  -0.898  1.00 26.26           O
+ATOM   1147  CB  ALA B  10      22.504 -16.176  -3.856  1.00 30.88           C
+ATOM   1148  N   VAL B  11      21.589 -16.575  -0.940  1.00 22.75           N
+ATOM   1149  CA  VAL B  11      21.174 -16.108   0.417  1.00 18.12           C
+ATOM   1150  C   VAL B  11      22.242 -16.512   1.434  1.00 18.13           C
+ATOM   1151  O   VAL B  11      22.655 -15.680   2.245  1.00 19.40           O
+ATOM   1152  CB  VAL B  11      19.853 -16.542   0.518  1.00 19.48           C
+ATOM   1153  CG1 VAL B  11      19.403 -16.415   1.946  1.00 26.15           C
+ATOM   1154  CG2 VAL B  11      18.815 -15.702  -0.276  1.00 23.37           C
+ATOM   1155  N   THR B  12      22.386 -17.775   1.358  1.00 19.01           N
+ATOM   1156  CA  THR B  12      23.153 -18.592   2.377  1.00 25.04           C
+ATOM   1157  C   THR B  12      24.569 -18.098   2.437  1.00 20.68           C
+ATOM   1158  O   THR B  12      25.254 -17.692   3.335  1.00 23.87           O
+ATOM   1159  CB  THR B  12      23.196 -20.284   2.185  1.00 42.63           C
+ATOM   1160  OG1 THR B  12      22.010 -20.433   2.444  1.00 42.78           O
+ATOM   1161  CG2 THR B  12      23.729 -20.348   1.974  1.00 67.38           C
+ATOM   1162  N   ALA B  13      25.190 -17.913   1.267  1.00 22.79           N
+ATOM   1163  CA  ALA B  13      26.401 -17.387   1.166  1.00 26.66           C
+ATOM   1164  C   ALA B  13      26.828 -16.135   1.582  1.00 26.26           C
+ATOM   1165  O   ALA B  13      27.614 -15.809   2.378  1.00 27.07           O
+ATOM   1166  CB  ALA B  13      26.857 -17.378  -0.445  1.00 26.35           C
+ATOM   1167  N   LEU B  14      25.928 -14.999   1.236  1.00 15.70           N
+ATOM   1168  CA  LEU B  14      26.092 -13.737   1.994  1.00 15.10           C
+ATOM   1169  C   LEU B  14      25.996 -13.791   3.419  1.00 17.25           C
+ATOM   1170  O   LEU B  14      26.440 -13.013   4.127  1.00 15.43           O
+ATOM   1171  CB  LEU B  14      25.023 -12.816   1.145  1.00 16.82           C
+ATOM   1172  CG  LEU B  14      25.284 -11.388   1.257  1.00 27.27           C
+ATOM   1173  CD1 LEU B  14      26.470 -10.984   0.911  1.00 40.43           C
+ATOM   1174  CD2 LEU B  14      23.923 -10.655   1.151  1.00 24.81           C
+ATOM   1175  N   TRP B  15      24.847 -14.542   3.847  1.00 17.75           N
+ATOM   1176  CA  TRP B  15      24.543 -14.533   5.293  1.00 20.73           C
+ATOM   1177  C   TRP B  15      25.779 -15.040   6.144  1.00 17.66           C
+ATOM   1178  O   TRP B  15      25.791 -14.500   7.295  1.00 18.75           O
+ATOM   1179  CB  TRP B  15      23.337 -15.255   5.477  1.00 17.11           C
+ATOM   1180  CG  TRP B  15      22.785 -14.972   6.964  1.00 17.91           C
+ATOM   1181  CD1 TRP B  15      22.809 -15.647   8.020  1.00 21.87           C
+ATOM   1182  CD2 TRP B  15      21.992 -13.854   7.213  1.00 17.58           C
+ATOM   1183  NE1 TRP B  15      22.135 -15.153   9.079  1.00 18.04           N
+ATOM   1184  CE2 TRP B  15      21.659 -13.824   8.669  1.00 16.29           C
+ATOM   1185  CE3 TRP B  15      21.610 -12.684   6.475  1.00 16.29           C
+ATOM   1186  CZ2 TRP B  15      20.847 -12.810   9.252  1.00 25.87           C
+ATOM   1187  CZ3 TRP B  15      20.839 -11.689   7.176  1.00 17.96           C
+ATOM   1188  CH2 TRP B  15      20.450 -11.898   8.453  1.00 24.12           C
+ATOM   1189  N   GLY B  16      26.491 -15.885   5.456  1.00 18.59           N
+ATOM   1190  CA  GLY B  16      27.793 -16.367   6.203  1.00 18.72           C
+ATOM   1191  C   GLY B  16      28.640 -15.293   6.479  1.00 24.14           C
+ATOM   1192  O   GLY B  16      29.526 -15.462   7.418  1.00 24.08           O
+ATOM   1193  N   LYS B  17      28.533 -14.214   5.902  1.00 16.20           N
+ATOM   1194  CA  LYS B  17      29.341 -13.100   6.055  1.00 17.17           C
+ATOM   1195  C   LYS B  17      28.732 -12.165   6.877  1.00 17.84           C
+ATOM   1196  O   LYS B  17      29.459 -11.044   7.345  1.00 23.03           O
+ATOM   1197  CB  LYS B  17      29.636 -12.212   4.866  1.00 27.63           C
+ATOM   1198  CG  LYS B  17      30.260 -13.332   3.793  1.00 26.84           C
+ATOM   1199  CD  LYS B  17      30.681 -12.758   2.663  1.00 36.92           C
+ATOM   1200  CE  LYS B  17      31.201 -13.748   1.394  1.00 48.09           C
+ATOM   1201  NZ  LYS B  17      31.749 -12.471   0.760  1.00 51.60           N
+ATOM   1202  N   VAL B  18      27.632 -12.163   7.561  1.00 19.79           N
+ATOM   1203  CA  VAL B  18      26.839 -11.228   8.296  1.00 15.59           C
+ATOM   1204  C   VAL B  18      27.221 -11.355   9.806  1.00 24.20           C
+ATOM   1205  O   VAL B  18      27.181 -12.396  10.461  1.00 22.49           O
+ATOM   1206  CB  VAL B  18      25.375 -11.611   8.249  1.00 13.43           C
+ATOM   1207  CG1 VAL B  18      24.680 -10.797   9.203  1.00 20.38           C
+ATOM   1208  CG2 VAL B  18      25.124 -10.816   6.753  1.00 25.54           C
+ATOM   1209  N   ASN B  19      27.508 -10.243  10.525  1.00 20.52           N
+ATOM   1210  CA  ASN B  19      27.647 -10.334  12.056  1.00 15.58           C
+ATOM   1211  C   ASN B  19      26.161 -10.008  12.553  1.00 13.56           C
+ATOM   1212  O   ASN B  19      25.706  -8.798  12.411  1.00 14.77           O
+ATOM   1213  CB  ASN B  19      28.532  -9.065  12.579  1.00 26.08           C
+ATOM   1214  CG  ASN B  19      28.340  -8.916  14.065  1.00 29.11           C
+ATOM   1215  OD1 ASN B  19      27.732  -9.412  14.784  1.00 27.77           O
+ATOM   1216  ND2 ASN B  19      29.702  -8.401  14.383  1.00 33.88           N
+ATOM   1217  N   VAL B  20      25.621 -11.024  13.009  1.00 18.83           N
+ATOM   1218  CA  VAL B  20      24.087 -11.031  13.284  1.00 19.05           C
+ATOM   1219  C   VAL B  20      23.851 -10.149  14.214  1.00 20.02           C
+ATOM   1220  O   VAL B  20      22.901  -9.142  14.245  1.00 17.50           O
+ATOM   1221  CB  VAL B  20      23.694 -12.517  13.598  1.00 25.16           C
+ATOM   1222  CG1 VAL B  20      22.215 -12.356  13.912  1.00 29.32           C
+ATOM   1223  CG2 VAL B  20      23.748 -13.338  12.333  1.00 21.26           C
+ATOM   1224  N   ASP B  21      24.547  -9.725  15.239  1.00 19.64           N
+ATOM   1225  CA  ASP B  21      24.274  -8.816  16.395  1.00 20.67           C
+ATOM   1226  C   ASP B  21      24.562  -7.492  15.870  1.00 18.97           C
+ATOM   1227  O   ASP B  21      23.606  -6.622  16.080  1.00 21.29           O
+ATOM   1228  CB  ASP B  21      25.312  -9.108  17.415  1.00 34.10           C
+ATOM   1229  CG  ASP B  21      25.029 -10.570  18.492  1.00 53.28           C
+ATOM   1230  OD1 ASP B  21      23.848 -10.805  18.323  1.00 40.86           O
+ATOM   1231  OD2 ASP B  21      25.861 -10.240  19.644  1.00 50.69           O
+ATOM   1232  N   GLU B  22      25.464  -7.225  14.999  1.00 17.77           N
+ATOM   1233  CA  GLU B  22      25.739  -5.702  14.538  1.00 21.32           C
+ATOM   1234  C   GLU B  22      24.523  -5.287  13.546  1.00 17.53           C
+ATOM   1235  O   GLU B  22      23.957  -4.290  13.703  1.00 21.51           O
+ATOM   1236  CB  GLU B  22      27.018  -5.846  13.812  1.00 24.38           C
+ATOM   1237  CG  GLU B  22      27.214  -4.730  13.144  1.00 38.60           C
+ATOM   1238  CD  GLU B  22      28.169  -3.862  11.812  1.00 75.75           C
+ATOM   1239  OE1 GLU B  22      28.555  -5.400  11.034  1.00 53.89           O
+ATOM   1240  OE2 GLU B  22      29.808  -4.745  12.821  1.00 65.14           O
+ATOM   1241  N   VAL B  23      24.347  -6.274  12.578  1.00 19.15           N
+ATOM   1242  CA  VAL B  23      23.303  -6.039  11.518  1.00 16.52           C
+ATOM   1243  C   VAL B  23      21.857  -5.985  12.342  1.00 19.25           C
+ATOM   1244  O   VAL B  23      20.964  -5.128  11.822  1.00 16.10           O
+ATOM   1245  CB  VAL B  23      23.294  -7.123  10.403  1.00 21.83           C
+ATOM   1246  CG1 VAL B  23      22.065  -7.019   9.672  1.00 26.98           C
+ATOM   1247  CG2 VAL B  23      24.689  -6.722   9.825  1.00 24.14           C
+ATOM   1248  N   GLY B  24      21.684  -6.753  13.284  1.00 11.83           N
+ATOM   1249  CA  GLY B  24      20.512  -6.666  14.003  1.00 15.96           C
+ATOM   1250  C   GLY B  24      20.131  -5.391  14.689  1.00 15.32           C
+ATOM   1251  O   GLY B  24      19.133  -4.694  14.628  1.00 13.59           O
+ATOM   1252  N   GLY B  25      21.093  -4.853  15.395  1.00 19.52           N
+ATOM   1253  CA  GLY B  25      21.202  -3.549  15.972  1.00 15.79           C
+ATOM   1254  C   GLY B  25      20.921  -2.401  14.917  1.00 12.82           C
+ATOM   1255  O   GLY B  25      20.200  -1.481  15.135  1.00 18.05           O
+ATOM   1256  N   GLU B  26      21.598  -2.510  13.849  1.00 12.16           N
+ATOM   1257  CA  GLU B  26      21.567  -1.493  12.736  1.00 11.32           C
+ATOM   1258  C   GLU B  26      20.042  -1.534  12.176  1.00 13.79           C
+ATOM   1259  O   GLU B  26      19.605  -0.362  11.944  1.00 14.59           O
+ATOM   1260  CB  GLU B  26      22.564  -1.757  11.778  1.00 13.18           C
+ATOM   1261  CG  GLU B  26      23.022  -0.301  10.974  1.00 29.90           C
+ATOM   1262  CD  GLU B  26      23.535   0.894  10.508  1.00 51.34           C
+ATOM   1263  OE1 GLU B  26      23.767  -0.209   7.916  1.00 54.93           O
+ATOM   1264  OE2 GLU B  26      24.549  -1.302  10.298  1.00 37.93           O
+ATOM   1265  N   ALA B  27      19.659  -2.698  11.904  1.00 13.14           N
+ATOM   1266  CA  ALA B  27      18.339  -2.622  11.197  1.00  9.05           C
+ATOM   1267  C   ALA B  27      17.188  -2.188  12.064  1.00 10.83           C
+ATOM   1268  O   ALA B  27      16.247  -1.538  11.698  1.00 11.12           O
+ATOM   1269  CB  ALA B  27      18.124  -4.039  10.850  1.00 14.07           C
+ATOM   1270  N   LEU B  28      17.097  -2.654  13.364  1.00 11.19           N
+ATOM   1271  CA  LEU B  28      16.289  -2.225  14.403  1.00 14.47           C
+ATOM   1272  C   LEU B  28      16.216  -0.842  14.498  1.00 12.13           C
+ATOM   1273  O   LEU B  28      15.292  -0.024  14.599  1.00 12.32           O
+ATOM   1274  CB  LEU B  28      16.089  -3.101  15.599  1.00  9.21           C
+ATOM   1275  CG  LEU B  28      14.602  -2.613  16.344  1.00 20.67           C
+ATOM   1276  CD1 LEU B  28      13.558  -3.287  15.723  1.00 17.60           C
+ATOM   1277  CD2 LEU B  28      15.036  -3.349  17.556  1.00 34.99           C
+ATOM   1278  N   GLY B  29      17.488  -0.244  14.733  1.00 10.00           N
+ATOM   1279  CA  GLY B  29      17.555   1.107  14.942  1.00 15.27           C
+ATOM   1280  C   GLY B  29      17.147   1.979  13.686  1.00 10.88           C
+ATOM   1281  O   GLY B  29      16.406   2.945  13.855  1.00 14.42           O
+ATOM   1282  N   ARG B  30      17.503   1.503  12.514  1.00 11.39           N
+ATOM   1283  CA  ARG B  30      17.138   2.392  11.410  1.00 14.49           C
+ATOM   1284  C   ARG B  30      15.517   2.168  11.180  1.00 10.79           C
+ATOM   1285  O   ARG B  30      14.997   3.218  10.749  1.00 13.81           O
+ATOM   1286  CB  ARG B  30      17.883   1.854  10.134  1.00 19.88           C
+ATOM   1287  CG  ARG B  30      19.264   2.550   9.848  1.00 16.11           C
+ATOM   1288  CD  ARG B  30      19.816   1.919   8.615  1.00 14.71           C
+ATOM   1289  NE  ARG B  30      21.229   2.190   8.567  1.00 21.05           N
+ATOM   1290  CZ  ARG B  30      21.899   3.048   7.943  1.00 18.56           C
+ATOM   1291  NH1 ARG B  30      21.169   3.859   7.078  1.00 19.13           N
+ATOM   1292  NH2 ARG B  30      23.126   3.441   7.930  1.00 19.91           N
+ATOM   1293  N   LEU B  31      14.954   1.034  11.546  1.00 12.04           N
+ATOM   1294  CA  LEU B  31      13.557   0.954  11.581  1.00 10.54           C
+ATOM   1295  C   LEU B  31      13.079   2.129  12.312  1.00 13.93           C
+ATOM   1296  O   LEU B  31      12.053   2.837  11.993  1.00 14.67           O
+ATOM   1297  CB  LEU B  31      12.999  -0.394  11.933  1.00 12.99           C
+ATOM   1298  CG  LEU B  31      11.476  -0.524  12.150  1.00 10.97           C
+ATOM   1299  CD1 LEU B  31      11.036  -0.535  10.722  1.00 19.46           C
+ATOM   1300  CD2 LEU B  31      11.106  -1.700  13.040  1.00 13.98           C
+ATOM   1301  N   LEU B  32      13.531   2.329  13.530  1.00 10.13           N
+ATOM   1302  CA  LEU B  32      12.882   3.156  14.401  1.00 11.52           C
+ATOM   1303  C   LEU B  32      13.149   4.616  14.057  1.00 12.11           C
+ATOM   1304  O   LEU B  32      12.467   5.633  14.438  1.00 15.31           O
+ATOM   1305  CB  LEU B  32      13.453   3.038  15.919  1.00 11.75           C
+ATOM   1306  CG  LEU B  32      12.805   1.940  16.581  1.00 16.68           C
+ATOM   1307  CD1 LEU B  32      12.104   0.941  16.260  1.00 22.26           C
+ATOM   1308  CD2 LEU B  32      13.566   1.603  17.835  1.00 28.90           C
+ATOM   1309  N   VAL B  33      14.250   4.899  13.351  1.00 10.32           N
+ATOM   1310  CA  VAL B  33      14.628   6.174  12.868  1.00 11.98           C
+ATOM   1311  C   VAL B  33      13.704   6.548  11.535  1.00 12.10           C
+ATOM   1312  O   VAL B  33      13.345   7.771  11.481  1.00 13.28           O
+ATOM   1313  CB  VAL B  33      16.139   6.304  12.522  1.00 14.87           C
+ATOM   1314  CG1 VAL B  33      16.518   7.591  11.880  1.00 11.54           C
+ATOM   1315  CG2 VAL B  33      16.745   6.275  13.788  1.00 16.57           C
+ATOM   1316  N   VAL B  34      13.820   5.650  10.638  1.00 13.66           N
+ATOM   1317  CA  VAL B  34      13.156   6.096   9.258  1.00  9.59           C
+ATOM   1318  C   VAL B  34      11.591   6.042   9.368  1.00  8.72           C
+ATOM   1319  O   VAL B  34      11.052   6.910   8.763  1.00  9.42           O
+ATOM   1320  CB  VAL B  34      13.681   5.042   8.326  1.00  9.09           C
+ATOM   1321  CG1 VAL B  34      13.079   5.328   6.958  1.00  9.82           C
+ATOM   1322  CG2 VAL B  34      15.076   5.133   8.253  1.00 17.00           C
+ATOM   1323  N   TYR B  35      11.088   5.155  10.260  1.00 10.80           N
+ATOM   1324  CA  TYR B  35       9.613   5.019  10.405  1.00 13.73           C
+ATOM   1325  C   TYR B  35       9.249   5.241  11.959  1.00 14.87           C
+ATOM   1326  O   TYR B  35       9.056   4.156  12.514  1.00 16.30           O
+ATOM   1327  CB  TYR B  35       9.162   3.628   9.962  1.00 14.97           C
+ATOM   1328  CG  TYR B  35       9.590   3.397   8.554  1.00 16.57           C
+ATOM   1329  CD1 TYR B  35       9.059   4.138   7.400  1.00 17.11           C
+ATOM   1330  CD2 TYR B  35      10.495   2.446   8.096  1.00 21.02           C
+ATOM   1331  CE1 TYR B  35       9.473   3.862   6.085  1.00 16.53           C
+ATOM   1332  CE2 TYR B  35      10.987   2.455   6.905  1.00 21.07           C
+ATOM   1333  CZ  TYR B  35      10.434   2.948   5.860  1.00 16.91           C
+ATOM   1334  OH  TYR B  35      11.073   2.851   4.537  1.00 21.07           O
+ATOM   1335  N   PRO B  36       9.337   6.384  12.381  1.00 18.32           N
+ATOM   1336  CA  PRO B  36       9.299   6.665  13.797  1.00 15.72           C
+ATOM   1337  C   PRO B  36       8.010   6.232  14.403  1.00 27.07           C
+ATOM   1338  O   PRO B  36       8.028   5.977  15.694  1.00 15.67           O
+ATOM   1339  CB  PRO B  36       9.448   8.143  14.056  1.00 16.26           C
+ATOM   1340  CG  PRO B  36       9.504   8.813  12.839  1.00 21.27           C
+ATOM   1341  CD  PRO B  36       9.498   7.681  11.841  1.00 25.93           C
+ATOM   1342  N   TRP B  37       6.917   5.884  13.840  1.00 14.10           N
+ATOM   1343  CA  TRP B  37       5.821   5.395  14.601  1.00 12.74           C
+ATOM   1344  C   TRP B  37       5.965   3.976  15.036  1.00 15.06           C
+ATOM   1345  O   TRP B  37       5.268   3.465  15.926  1.00 15.27           O
+ATOM   1346  CB  TRP B  37       4.670   5.475  13.490  1.00 19.41           C
+ATOM   1347  CG  TRP B  37       4.766   4.831  12.253  1.00 14.79           C
+ATOM   1348  CD1 TRP B  37       4.298   3.513  11.774  1.00 18.82           C
+ATOM   1349  CD2 TRP B  37       5.265   5.442  10.984  1.00 18.23           C
+ATOM   1350  NE1 TRP B  37       4.669   3.435  10.535  1.00 23.72           N
+ATOM   1351  CE2 TRP B  37       5.184   4.400   9.923  1.00 22.13           C
+ATOM   1352  CE3 TRP B  37       5.947   6.691  10.672  1.00 21.52           C
+ATOM   1353  CZ2 TRP B  37       5.584   4.556   8.589  1.00 18.19           C
+ATOM   1354  CZ3 TRP B  37       6.183   6.773   9.398  1.00 31.71           C
+ATOM   1355  CH2 TRP B  37       6.069   5.844   8.520  1.00 14.12           C
+ATOM   1356  N   THR B  38       7.039   3.221  14.646  1.00 14.17           N
+ATOM   1357  CA  THR B  38       7.466   1.912  14.979  1.00 13.46           C
+ATOM   1358  C   THR B  38       7.760   1.960  16.519  1.00 16.65           C
+ATOM   1359  O   THR B  38       8.073   0.918  17.118  1.00 18.86           O
+ATOM   1360  CB  THR B  38       8.456   1.107  14.212  1.00 12.74           C
+ATOM   1361  OG1 THR B  38       9.507   1.962  14.105  1.00 14.09           O
+ATOM   1362  CG2 THR B  38       7.863   1.128  12.798  1.00 15.42           C
+ATOM   1363  N   GLN B  39       8.203   3.108  16.922  1.00 19.91           N
+ATOM   1364  CA  GLN B  39       8.656   3.567  18.379  1.00 23.22           C
+ATOM   1365  C   GLN B  39       7.604   3.201  19.358  1.00 19.19           C
+ATOM   1366  O   GLN B  39       7.968   2.987  20.495  1.00 19.29           O
+ATOM   1367  CB  GLN B  39       9.277   4.878  18.529  1.00 24.35           C
+ATOM   1368  CG  GLN B  39      10.405   5.137  17.759  1.00 25.27           C
+ATOM   1369  CD  GLN B  39      10.983   6.633  17.918  1.00 24.35           C
+ATOM   1370  OE1 GLN B  39      10.480   7.189  18.922  1.00 26.75           O
+ATOM   1371  NE2 GLN B  39      11.852   7.006  16.956  1.00 30.18           N
+ATOM   1372  N   ARG B  40       6.347   3.079  18.900  1.00 20.02           N
+ATOM   1373  CA  ARG B  40       5.184   2.850  19.816  1.00 21.80           C
+ATOM   1374  C   ARG B  40       5.511   1.455  20.630  1.00 29.36           C
+ATOM   1375  O   ARG B  40       4.888   1.619  21.749  1.00 24.42           O
+ATOM   1376  CB  ARG B  40       3.944   2.700  18.938  1.00 16.52           C
+ATOM   1377  CG  ARG B  40       3.694   1.420  18.404  1.00 20.34           C
+ATOM   1378  CD  ARG B  40       2.451   1.519  17.302  1.00 25.31           C
+ATOM   1379  NE  ARG B  40       1.370   1.856  17.810  1.00 29.70           N
+ATOM   1380  CZ  ARG B  40       0.400   1.022  18.648  1.00 34.46           C
+ATOM   1381  NH1 ARG B  40       0.678  -0.097  18.556  1.00 31.34           N
+ATOM   1382  NH2 ARG B  40      -0.783   2.010  18.877  1.00 39.12           N
+ATOM   1383  N   PHE B  41       6.149   0.541  20.453  1.00 19.21           N
+ATOM   1384  CA  PHE B  41       6.133  -0.730  21.151  1.00 16.53           C
+ATOM   1385  C   PHE B  41       7.442  -0.621  22.343  1.00 21.34           C
+ATOM   1386  O   PHE B  41       7.412  -1.538  22.897  1.00 23.45           O
+ATOM   1387  CB  PHE B  41       6.675  -1.804  20.080  1.00 10.39           C
+ATOM   1388  CG  PHE B  41       5.553  -1.984  19.152  1.00 13.84           C
+ATOM   1389  CD1 PHE B  41       5.763  -1.448  17.828  1.00 17.38           C
+ATOM   1390  CD2 PHE B  41       4.239  -2.655  19.578  1.00 25.55           C
+ATOM   1391  CE1 PHE B  41       4.713  -1.720  16.922  1.00 15.72           C
+ATOM   1392  CE2 PHE B  41       3.272  -2.680  18.459  1.00 21.40           C
+ATOM   1393  CZ  PHE B  41       3.586  -2.146  17.207  1.00 13.46           C
+ATOM   1394  N   PHE B  42       8.072   0.397  22.159  1.00 18.41           N
+ATOM   1395  CA  PHE B  42       9.433   0.476  22.639  1.00 17.88           C
+ATOM   1396  C   PHE B  42       9.683   1.552  23.631  1.00 26.28           C
+ATOM   1397  O   PHE B  42      10.712   1.963  24.025  1.00 30.16           O
+ATOM   1398  CB  PHE B  42      10.561   0.553  21.602  1.00 16.57           C
+ATOM   1399  CG  PHE B  42      10.524  -0.621  20.906  1.00 18.87           C
+ATOM   1400  CD1 PHE B  42      10.208  -0.431  19.261  1.00 17.08           C
+ATOM   1401  CD2 PHE B  42      10.804  -1.937  21.065  1.00 17.75           C
+ATOM   1402  CE1 PHE B  42      10.137  -1.716  18.672  1.00 12.34           C
+ATOM   1403  CE2 PHE B  42      10.625  -2.998  20.314  1.00 16.32           C
+ATOM   1404  CZ  PHE B  42      10.370  -2.870  18.826  1.00 14.29           C
+ATOM   1405  N   GLU B  43       8.703   2.022  24.176  1.00 32.94           N
+ATOM   1406  CA  GLU B  43       9.021   3.274  25.060  1.00 42.17           C
+ATOM   1407  C   GLU B  43       9.315   2.924  26.617  1.00 21.09           C
+ATOM   1408  O   GLU B  43      10.204   3.362  27.291  1.00 37.55           O
+ATOM   1409  CB  GLU B  43       7.798   3.586  25.059  1.00 73.91           C
+ATOM   1410  CG  GLU B  43       6.528   3.291  25.915  1.00 61.81           C
+ATOM   1411  CD  GLU B  43       4.777   4.930  25.558  1.00 78.77           C
+ATOM   1412  OE1 GLU B  43       5.276   5.543  25.252  1.00 63.33           O
+ATOM   1413  OE2 GLU B  43       4.274   3.783  26.403  1.00 59.41           O
+ATOM   1414  N   SER B  44       9.424   1.477  26.805  1.00 22.68           N
+ATOM   1415  CA  SER B  44      10.261   0.951  28.039  1.00 28.45           C
+ATOM   1416  C   SER B  44      11.527   1.680  27.935  1.00 36.10           C
+ATOM   1417  O   SER B  44      12.578   0.776  28.511  1.00 25.24           O
+ATOM   1418  CB  SER B  44       9.957  -0.409  28.119  1.00 27.61           C
+ATOM   1419  OG  SER B  44      10.204  -1.503  27.766  1.00 37.26           O
+ATOM   1420  N   PHE B  45      12.292   1.349  26.626  1.00 28.36           N
+ATOM   1421  CA  PHE B  45      13.648   1.329  26.186  1.00 25.47           C
+ATOM   1422  C   PHE B  45      14.197   2.590  26.508  1.00 26.28           C
+ATOM   1423  O   PHE B  45      15.451   2.670  26.190  1.00 31.39           O
+ATOM   1424  CB  PHE B  45      13.618   0.947  24.623  1.00 22.10           C
+ATOM   1425  CG  PHE B  45      13.541  -0.652  24.249  1.00 18.85           C
+ATOM   1426  CD1 PHE B  45      13.939  -0.880  22.983  1.00 29.27           C
+ATOM   1427  CD2 PHE B  45      12.982  -1.450  24.626  1.00 31.57           C
+ATOM   1428  CE1 PHE B  45      13.682  -2.441  22.618  1.00 29.02           C
+ATOM   1429  CE2 PHE B  45      12.642  -2.810  24.625  1.00 30.34           C
+ATOM   1430  CZ  PHE B  45      13.202  -2.999  23.312  1.00 36.33           C
+ATOM   1431  N   GLY B  46      13.772   3.730  26.937  1.00 39.28           N
+ATOM   1432  CA  GLY B  46      14.529   4.785  27.301  1.00 46.90           C
+ATOM   1433  C   GLY B  46      14.720   5.977  26.137  1.00 45.06           C
+ATOM   1434  O   GLY B  46      13.492   6.152  25.410  1.00 36.42           O
+ATOM   1435  N   ASP B  47      15.717   6.365  26.037  1.00 38.00           N
+ATOM   1436  CA  ASP B  47      15.729   7.801  25.184  1.00 38.15           C
+ATOM   1437  C   ASP B  47      16.096   7.362  23.534  1.00 25.86           C
+ATOM   1438  O   ASP B  47      16.860   6.380  23.281  1.00 25.46           O
+ATOM   1439  CB  ASP B  47      17.237   8.136  25.516  1.00 44.07           C
+ATOM   1440  CG  ASP B  47      17.345   9.494  25.209  1.00 52.06           C
+ATOM   1441  OD1 ASP B  47      18.506  10.069  24.917  1.00 44.54           O
+ATOM   1442  OD2 ASP B  47      16.192  10.248  24.076  1.00 35.33           O
+ATOM   1443  N   LEU B  48      14.758   7.696  22.981  1.00 25.27           N
+ATOM   1444  CA  LEU B  48      14.475   7.473  21.435  1.00 28.75           C
+ATOM   1445  C   LEU B  48      14.468   8.903  20.740  1.00 27.19           C
+ATOM   1446  O   LEU B  48      13.953   8.921  19.724  1.00 27.20           O
+ATOM   1447  CB  LEU B  48      13.484   6.505  21.317  1.00 23.96           C
+ATOM   1448  CG  LEU B  48      13.754   5.148  21.718  1.00 24.35           C
+ATOM   1449  CD1 LEU B  48      12.414   4.237  21.541  1.00 34.74           C
+ATOM   1450  CD2 LEU B  48      14.775   4.377  21.408  1.00 34.58           C
+ATOM   1451  N   SER B  49      15.103   9.812  21.342  1.00 41.94           N
+ATOM   1452  CA  SER B  49      14.421  11.168  20.634  1.00 46.28           C
+ATOM   1453  C   SER B  49      15.582  11.613  20.219  1.00 38.86           C
+ATOM   1454  O   SER B  49      14.817  12.605  18.942  1.00 41.94           O
+ATOM   1455  CB  SER B  49      14.717  12.244  22.089  1.00 37.98           C
+ATOM   1456  OG  SER B  49      16.403  12.088  22.302  1.00 37.71           O
+ATOM   1457  N   THR B  50      16.507  11.264  19.343  1.00 28.29           N
+ATOM   1458  CA  THR B  50      17.236  11.360  18.289  1.00 30.77           C
+ATOM   1459  C   THR B  50      17.885  10.175  17.455  1.00 28.12           C
+ATOM   1460  O   THR B  50      17.899   9.107  18.221  1.00 25.38           O
+ATOM   1461  CB  THR B  50      18.076  12.160  18.824  1.00 33.39           C
+ATOM   1462  OG1 THR B  50      19.415  11.795  19.160  1.00 37.96           O
+ATOM   1463  CG2 THR B  50      18.083  13.812  19.397  1.00 29.64           C
+ATOM   1464  N   PRO B  51      18.477  10.443  16.283  1.00 28.96           N
+ATOM   1465  CA  PRO B  51      18.840   9.268  15.580  1.00 22.25           C
+ATOM   1466  C   PRO B  51      20.003   8.659  16.259  1.00 19.80           C
+ATOM   1467  O   PRO B  51      20.229   7.322  16.651  1.00 21.55           O
+ATOM   1468  CB  PRO B  51      19.279   9.752  14.257  1.00 27.29           C
+ATOM   1469  CG  PRO B  51      18.236  10.849  14.019  1.00 23.54           C
+ATOM   1470  CD  PRO B  51      18.120  11.592  15.204  1.00 26.04           C
+ATOM   1471  N   ASP B  52      20.955   9.490  16.887  1.00 21.99           N
+ATOM   1472  CA  ASP B  52      22.107   9.063  17.596  1.00 20.50           C
+ATOM   1473  C   ASP B  52      21.711   8.282  18.816  1.00 16.32           C
+ATOM   1474  O   ASP B  52      22.264   7.261  19.307  1.00 25.55           O
+ATOM   1475  CB  ASP B  52      22.971  10.246  17.966  1.00 32.17           C
+ATOM   1476  CG  ASP B  52      24.234  10.367  16.728  1.00 47.24           C
+ATOM   1477  OD1 ASP B  52      24.140   9.731  15.886  1.00 41.78           O
+ATOM   1478  OD2 ASP B  52      24.041  11.689  16.359  1.00 62.08           O
+ATOM   1479  N   ALA B  53      20.654   8.843  19.515  1.00 23.18           N
+ATOM   1480  CA  ALA B  53      20.143   8.181  20.776  1.00 24.60           C
+ATOM   1481  C   ALA B  53      19.728   6.737  20.669  1.00 20.91           C
+ATOM   1482  O   ALA B  53      19.736   5.693  21.187  1.00 20.19           O
+ATOM   1483  CB  ALA B  53      19.176   8.937  21.371  1.00 23.45           C
+ATOM   1484  N   VAL B  54      18.925   6.610  19.428  1.00 19.02           N
+ATOM   1485  CA  VAL B  54      18.396   5.367  18.970  1.00 17.30           C
+ATOM   1486  C   VAL B  54      19.363   4.542  18.660  1.00 15.03           C
+ATOM   1487  O   VAL B  54      19.429   3.266  19.120  1.00 19.06           O
+ATOM   1488  CB  VAL B  54      17.268   5.613  17.733  1.00 27.63           C
+ATOM   1489  CG1 VAL B  54      17.019   4.214  17.213  1.00 22.46           C
+ATOM   1490  CG2 VAL B  54      16.224   6.564  17.992  1.00 27.27           C
+ATOM   1491  N   MET B  55      20.370   4.888  17.834  1.00 21.73           N
+ATOM   1492  CA  MET B  55      21.262   3.920  17.351  1.00 17.86           C
+ATOM   1493  C   MET B  55      22.215   3.437  18.454  1.00 32.16           C
+ATOM   1494  O   MET B  55      22.701   2.355  18.174  1.00 26.15           O
+ATOM   1495  CB  MET B  55      22.167   4.509  16.152  1.00 19.12           C
+ATOM   1496  CG  MET B  55      21.367   4.924  14.914  1.00 18.10           C
+ATOM   1497  SD  MET B  55      20.328   3.573  14.221  1.00 21.28           S
+ATOM   1498  CE  MET B  55      21.373   2.471  13.659  1.00 20.66           C
+ATOM   1499  N   GLY B  56      22.406   4.339  19.361  1.00 24.42           N
+ATOM   1500  CA  GLY B  56      23.329   3.841  20.456  1.00 36.79           C
+ATOM   1501  C   GLY B  56      22.514   3.565  21.746  1.00 33.28           C
+ATOM   1502  O   GLY B  56      23.093   2.903  22.699  1.00 24.94           O
+ATOM   1503  N   ASN B  57      21.348   2.997  21.778  1.00 22.01           N
+ATOM   1504  CA  ASN B  57      20.559   2.685  22.827  1.00 15.71           C
+ATOM   1505  C   ASN B  57      20.755   1.267  22.976  1.00 17.88           C
+ATOM   1506  O   ASN B  57      20.502   0.300  22.098  1.00 18.04           O
+ATOM   1507  CB  ASN B  57      19.144   2.920  22.701  1.00 21.80           C
+ATOM   1508  CG  ASN B  57      18.247   2.358  23.776  1.00 18.78           C
+ATOM   1509  OD1 ASN B  57      18.261   1.376  24.212  1.00 23.41           O
+ATOM   1510  ND2 ASN B  57      17.583   3.338  24.270  1.00 26.53           N
+ATOM   1511  N   PRO B  58      21.174   0.662  24.086  1.00 24.81           N
+ATOM   1512  CA  PRO B  58      21.379  -0.699  24.384  1.00 24.38           C
+ATOM   1513  C   PRO B  58      20.320  -1.707  24.238  1.00 16.45           C
+ATOM   1514  O   PRO B  58      20.621  -2.865  23.942  1.00 22.03           O
+ATOM   1515  CB  PRO B  58      22.199  -0.585  25.810  1.00 41.00           C
+ATOM   1516  CG  PRO B  58      21.985   0.546  26.007  1.00 36.46           C
+ATOM   1517  CD  PRO B  58      21.572   1.751  25.438  1.00 41.75           C
+ATOM   1518  N   LYS B  59      19.129  -1.092  24.601  1.00 16.03           N
+ATOM   1519  CA  LYS B  59      17.877  -2.002  24.599  1.00 22.04           C
+ATOM   1520  C   LYS B  59      17.389  -2.185  23.113  1.00 13.98           C
+ATOM   1521  O   LYS B  59      17.132  -3.370  22.712  1.00 15.67           O
+ATOM   1522  CB  LYS B  59      16.893  -1.439  25.346  1.00 22.22           C
+ATOM   1523  CG  LYS B  59      17.003  -1.840  26.817  1.00 45.70           C
+ATOM   1524  CD  LYS B  59      17.133  -0.988  27.329  1.00 44.05           C
+ATOM   1525  CE  LYS B  59      17.311  -2.126  29.392  1.00 71.22           C
+ATOM   1526  NZ  LYS B  59      16.304  -0.516  29.672  1.00 61.54           N
+ATOM   1527  N   VAL B  60      17.762  -1.228  22.435  1.00 17.28           N
+ATOM   1528  CA  VAL B  60      17.489  -1.267  20.987  1.00 18.21           C
+ATOM   1529  C   VAL B  60      18.198  -2.383  20.467  1.00 17.60           C
+ATOM   1530  O   VAL B  60      18.065  -3.331  19.597  1.00 19.11           O
+ATOM   1531  CB  VAL B  60      17.415   0.000  20.196  1.00 19.15           C
+ATOM   1532  CG1 VAL B  60      17.700  -0.242  18.743  1.00 20.44           C
+ATOM   1533  CG2 VAL B  60      16.452   0.957  20.699  1.00 20.64           C
+ATOM   1534  N   LYS B  61      19.612  -2.162  20.575  1.00 16.19           N
+ATOM   1535  CA  LYS B  61      20.529  -3.146  20.062  1.00 15.00           C
+ATOM   1536  C   LYS B  61      20.399  -4.610  20.622  1.00 17.90           C
+ATOM   1537  O   LYS B  61      20.213  -5.649  19.890  1.00 20.52           O
+ATOM   1538  CB  LYS B  61      21.934  -2.794  20.686  1.00 23.50           C
+ATOM   1539  CG  LYS B  61      22.389  -1.790  20.123  1.00 34.21           C
+ATOM   1540  CD  LYS B  61      23.914  -1.121  21.095  1.00 48.05           C
+ATOM   1541  CE  LYS B  61      24.659  -0.514  19.697  1.00 65.12           C
+ATOM   1542  NZ  LYS B  61      25.928   0.153  20.694  1.00 66.26           N
+ATOM   1543  N   ALA B  62      19.935  -4.789  21.817  1.00 18.99           N
+ATOM   1544  CA  ALA B  62      19.613  -6.179  22.281  1.00 20.11           C
+ATOM   1545  C   ALA B  62      18.327  -6.740  21.532  1.00 23.44           C
+ATOM   1546  O   ALA B  62      18.260  -7.852  21.400  1.00 21.26           O
+ATOM   1547  CB  ALA B  62      19.287  -6.023  23.792  1.00 28.90           C
+ATOM   1548  N   HIS B  63      17.361  -5.800  21.608  1.00 20.40           N
+ATOM   1549  CA  HIS B  63      16.190  -6.291  20.805  1.00 18.39           C
+ATOM   1550  C   HIS B  63      16.516  -6.639  19.256  1.00 14.88           C
+ATOM   1551  O   HIS B  63      16.111  -7.828  18.863  1.00 18.29           O
+ATOM   1552  CB  HIS B  63      15.116  -5.410  20.859  1.00 22.46           C
+ATOM   1553  CG  HIS B  63      13.751  -5.776  20.554  1.00 25.19           C
+ATOM   1554  ND1 HIS B  63      13.281  -7.248  21.117  1.00 24.68           N
+ATOM   1555  CD2 HIS B  63      13.005  -5.716  19.310  1.00 20.46           C
+ATOM   1556  CE1 HIS B  63      11.969  -7.447  20.274  1.00 21.48           C
+ATOM   1557  NE2 HIS B  63      11.891  -6.627  19.400  1.00 20.00           N
+ATOM   1558  N   GLY B  64      17.369  -5.912  18.807  1.00 15.81           N
+ATOM   1559  CA  GLY B  64      17.753  -6.266  17.372  1.00 16.57           C
+ATOM   1560  C   GLY B  64      18.356  -7.523  17.041  1.00 14.05           C
+ATOM   1561  O   GLY B  64      18.321  -8.353  16.306  1.00 17.38           O
+ATOM   1562  N   LYS B  65      19.222  -7.845  18.080  1.00 15.77           N
+ATOM   1563  CA  LYS B  65      19.749  -9.096  18.187  1.00 17.79           C
+ATOM   1564  C   LYS B  65      18.945 -10.321  18.319  1.00 18.32           C
+ATOM   1565  O   LYS B  65      19.205 -11.332  17.796  1.00 19.33           O
+ATOM   1566  CB  LYS B  65      21.117  -9.195  19.352  1.00 34.65           C
+ATOM   1567  CG  LYS B  65      20.823  -9.337  19.828  1.00 64.04           C
+ATOM   1568  CD  LYS B  65      22.866  -9.404  21.254  1.00 58.77           C
+ATOM   1569  CE  LYS B  65      21.591 -11.376  21.213  1.00 64.47           C
+ATOM   1570  NZ  LYS B  65      22.762 -11.190  23.512  1.00 67.19           N
+ATOM   1571  N   LYS B  66      17.979 -10.126  19.094  1.00 17.45           N
+ATOM   1572  CA  LYS B  66      17.297 -11.071  19.293  1.00 20.10           C
+ATOM   1573  C   LYS B  66      16.171 -11.403  18.033  1.00 21.06           C
+ATOM   1574  O   LYS B  66      15.915 -12.596  17.725  1.00 17.84           O
+ATOM   1575  CB  LYS B  66      16.183 -10.827  20.504  1.00 22.19           C
+ATOM   1576  CG  LYS B  66      15.115 -11.668  20.860  1.00 40.97           C
+ATOM   1577  CD  LYS B  66      14.348 -11.289  22.165  1.00 49.22           C
+ATOM   1578  CE  LYS B  66      14.883 -13.426  23.031  1.00 72.58           C
+ATOM   1579  NZ  LYS B  66      13.505 -13.329  24.195  1.00 70.66           N
+ATOM   1580  N   VAL B  67      15.722 -10.213  17.591  1.00 16.93           N
+ATOM   1581  CA  VAL B  67      14.967 -10.430  16.204  1.00 19.22           C
+ATOM   1582  C   VAL B  67      15.793 -10.926  15.110  1.00 11.08           C
+ATOM   1583  O   VAL B  67      15.419 -12.032  14.481  1.00 14.57           O
+ATOM   1584  CB  VAL B  67      14.239  -9.056  15.913  1.00 21.56           C
+ATOM   1585  CG1 VAL B  67      13.929  -8.835  14.427  1.00 18.58           C
+ATOM   1586  CG2 VAL B  67      13.400  -8.550  17.010  1.00 21.34           C
+ATOM   1587  N   LEU B  68      16.954 -10.461  14.916  1.00 11.62           N
+ATOM   1588  CA  LEU B  68      17.765 -11.045  13.835  1.00 15.23           C
+ATOM   1589  C   LEU B  68      18.198 -12.546  14.030  1.00 13.22           C
+ATOM   1590  O   LEU B  68      18.576 -13.320  13.014  1.00 14.49           O
+ATOM   1591  CB  LEU B  68      18.788 -10.157  13.424  1.00 22.80           C
+ATOM   1592  CG  LEU B  68      18.947  -9.620  11.990  1.00 26.57           C
+ATOM   1593  CD1 LEU B  68      20.192 -10.323  11.868  1.00 62.38           C
+ATOM   1594  CD2 LEU B  68      17.922  -9.301  11.306  1.00 35.30           C
+ATOM   1595  N   GLY B  69      18.512 -12.954  15.230  1.00 14.77           N
+ATOM   1596  CA  GLY B  69      18.843 -14.169  15.499  1.00 20.29           C
+ATOM   1597  C   GLY B  69      17.847 -15.440  15.178  1.00 17.59           C
+ATOM   1598  O   GLY B  69      17.982 -16.324  14.534  1.00 19.02           O
+ATOM   1599  N   ALA B  70      16.471 -14.870  15.541  1.00 19.76           N
+ATOM   1600  CA  ALA B  70      15.432 -15.582  15.055  1.00 20.35           C
+ATOM   1601  C   ALA B  70      15.296 -15.691  13.506  1.00 16.36           C
+ATOM   1602  O   ALA B  70      14.996 -16.706  12.805  1.00 18.12           O
+ATOM   1603  CB  ALA B  70      14.137 -15.174  15.556  1.00 18.92           C
+ATOM   1604  N   PHE B  71      15.441 -14.520  12.868  1.00 14.47           N
+ATOM   1605  CA  PHE B  71      15.473 -14.523  11.393  1.00 18.37           C
+ATOM   1606  C   PHE B  71      16.681 -15.484  10.885  1.00 23.80           C
+ATOM   1607  O   PHE B  71      16.324 -16.238  10.064  1.00 20.23           O
+ATOM   1608  CB  PHE B  71      15.760 -13.050  11.104  1.00 13.73           C
+ATOM   1609  CG  PHE B  71      15.796 -12.885   9.606  1.00 18.08           C
+ATOM   1610  CD1 PHE B  71      14.729 -12.558   8.930  1.00 25.10           C
+ATOM   1611  CD2 PHE B  71      17.072 -12.967   8.830  1.00 17.17           C
+ATOM   1612  CE1 PHE B  71      14.623 -12.282   7.460  1.00 19.10           C
+ATOM   1613  CE2 PHE B  71      16.901 -12.741   7.550  1.00 22.20           C
+ATOM   1614  CZ  PHE B  71      15.701 -12.364   6.812  1.00 12.94           C
+ATOM   1615  N   SER B  72      17.595 -15.502  11.393  1.00 20.10           N
+ATOM   1616  CA  SER B  72      18.969 -16.288  11.125  1.00 20.52           C
+ATOM   1617  C   SER B  72      18.446 -17.702  11.027  1.00 24.58           C
+ATOM   1618  O   SER B  72      18.709 -18.593  10.064  1.00 22.06           O
+ATOM   1619  CB  SER B  72      20.232 -15.732  11.864  1.00 15.28           C
+ATOM   1620  OG  SER B  72      21.400 -16.267  11.544  1.00 25.10           O
+ATOM   1621  N   ASP B  73      17.933 -17.999  12.102  1.00 27.59           N
+ATOM   1622  CA  ASP B  73      17.456 -19.508  12.282  1.00 37.45           C
+ATOM   1623  C   ASP B  73      16.631 -19.746  11.447  1.00 25.08           C
+ATOM   1624  O   ASP B  73      16.306 -20.962  10.848  1.00 31.64           O
+ATOM   1625  CB  ASP B  73      17.022 -19.613  13.914  1.00 36.32           C
+ATOM   1626  CG  ASP B  73      18.407 -19.595  14.926  1.00 45.09           C
+ATOM   1627  OD1 ASP B  73      19.800 -19.407  14.506  1.00 37.33           O
+ATOM   1628  OD2 ASP B  73      18.096 -19.496  15.880  1.00 52.94           O
+ATOM   1629  N   GLY B  74      15.535 -19.019  10.954  1.00 21.04           N
+ATOM   1630  CA  GLY B  74      14.735 -19.149   9.973  1.00 15.14           C
+ATOM   1631  C   GLY B  74      14.988 -19.490   8.722  1.00 22.81           C
+ATOM   1632  O   GLY B  74      14.637 -20.071   7.621  1.00 25.94           O
+ATOM   1633  N   LEU B  75      16.509 -18.919   8.215  1.00 20.94           N
+ATOM   1634  CA  LEU B  75      17.037 -19.090   6.965  1.00 15.84           C
+ATOM   1635  C   LEU B  75      17.465 -20.570   6.842  1.00 26.11           C
+ATOM   1636  O   LEU B  75      17.646 -20.979   5.741  1.00 28.14           O
+ATOM   1637  CB  LEU B  75      18.377 -18.389   6.691  1.00 21.09           C
+ATOM   1638  CG  LEU B  75      18.160 -17.146   6.885  1.00 27.76           C
+ATOM   1639  CD1 LEU B  75      19.415 -16.065   6.621  1.00 33.03           C
+ATOM   1640  CD2 LEU B  75      17.192 -16.405   5.891  1.00 30.01           C
+ATOM   1641  N   ALA B  76      17.528 -21.312   7.923  1.00 21.21           N
+ATOM   1642  CA  ALA B  76      17.717 -22.609   7.710  1.00 22.79           C
+ATOM   1643  C   ALA B  76      16.647 -23.681   7.464  1.00 40.88           C
+ATOM   1644  O   ALA B  76      16.656 -24.527   7.123  1.00 38.44           O
+ATOM   1645  CB  ALA B  76      18.164 -23.328   9.061  1.00 29.05           C
+ATOM   1646  N   HIS B  77      15.219 -22.886   7.385  1.00 23.87           N
+ATOM   1647  CA  HIS B  77      13.929 -23.700   7.284  1.00 21.57           C
+ATOM   1648  C   HIS B  77      13.284 -22.870   6.150  1.00 18.37           C
+ATOM   1649  O   HIS B  77      12.059 -22.798   6.220  1.00 23.13           O
+ATOM   1650  CB  HIS B  77      13.250 -23.395   8.460  1.00 29.02           C
+ATOM   1651  CG  HIS B  77      14.079 -24.146   9.683  1.00 36.16           C
+ATOM   1652  ND1 HIS B  77      14.936 -23.842  10.757  1.00 45.10           N
+ATOM   1653  CD2 HIS B  77      14.095 -25.953   9.360  1.00 41.12           C
+ATOM   1654  CE1 HIS B  77      15.178 -24.891  11.130  1.00 37.52           C
+ATOM   1655  NE2 HIS B  77      14.852 -25.983  10.561  1.00 42.04           N
+ATOM   1656  N   LEU B  78      13.874 -22.553   5.099  1.00 22.31           N
+ATOM   1657  CA  LEU B  78      13.302 -21.614   4.148  1.00 20.28           C
+ATOM   1658  C   LEU B  78      12.283 -22.522   3.216  1.00 31.20           C
+ATOM   1659  O   LEU B  78      11.288 -21.899   3.087  1.00 34.80           O
+ATOM   1660  CB  LEU B  78      14.257 -21.383   2.881  1.00 19.92           C
+ATOM   1661  CG  LEU B  78      14.986 -19.978   3.420  1.00 39.49           C
+ATOM   1662  CD1 LEU B  78      16.407 -19.926   2.680  1.00 34.16           C
+ATOM   1663  CD2 LEU B  78      14.406 -18.731   3.892  1.00 31.09           C
+ATOM   1664  N   ASP B  79      12.097 -23.916   3.393  1.00 31.59           N
+ATOM   1665  CA  ASP B  79      11.104 -24.882   2.602  1.00 37.85           C
+ATOM   1666  C   ASP B  79       9.843 -24.653   3.569  1.00 38.72           C
+ATOM   1667  O   ASP B  79       9.096 -25.342   3.631  1.00 37.62           O
+ATOM   1668  CB  ASP B  79      11.737 -26.234   3.104  1.00 48.10           C
+ATOM   1669  CG  ASP B  79      12.662 -26.319   2.384  1.00 61.60           C
+ATOM   1670  OD1 ASP B  79      13.286 -27.317   2.464  1.00 57.05           O
+ATOM   1671  OD2 ASP B  79      12.655 -25.818   0.790  1.00 50.26           O
+ATOM   1672  N   ASN B  80      10.028 -24.212   4.945  1.00 35.73           N
+ATOM   1673  CA  ASN B  80       8.836 -24.555   6.146  1.00 42.30           C
+ATOM   1674  C   ASN B  80       9.062 -22.961   6.944  1.00 30.43           C
+ATOM   1675  O   ASN B  80       8.998 -23.185   7.997  1.00 27.17           O
+ATOM   1676  CB  ASN B  80       9.098 -25.723   6.800  1.00 45.64           C
+ATOM   1677  CG  ASN B  80       7.793 -26.259   7.837  1.00 49.79           C
+ATOM   1678  OD1 ASN B  80       6.751 -25.228   7.493  1.00 49.18           O
+ATOM   1679  ND2 ASN B  80       8.556 -26.466   8.946  1.00 48.18           N
+ATOM   1680  N   LEU B  81       8.851 -21.845   6.271  1.00 31.23           N
+ATOM   1681  CA  LEU B  81       8.683 -20.637   7.429  1.00 24.59           C
+ATOM   1682  C   LEU B  81       7.679 -20.724   8.281  1.00 25.32           C
+ATOM   1683  O   LEU B  81       7.523 -20.208   9.309  1.00 23.54           O
+ATOM   1684  CB  LEU B  81       8.987 -19.631   6.449  1.00 29.09           C
+ATOM   1685  CG  LEU B  81      10.160 -19.226   5.665  1.00 21.46           C
+ATOM   1686  CD1 LEU B  81      10.084 -18.185   4.643  1.00 28.62           C
+ATOM   1687  CD2 LEU B  81      11.341 -18.875   6.546  1.00 30.82           C
+ATOM   1688  N   LYS B  82       6.283 -21.136   7.490  1.00 26.15           N
+ATOM   1689  CA  LYS B  82       5.156 -20.862   8.452  1.00 24.25           C
+ATOM   1690  C   LYS B  82       5.202 -21.643   9.461  1.00 23.08           C
+ATOM   1691  O   LYS B  82       4.869 -21.389  10.597  1.00 24.88           O
+ATOM   1692  CB  LYS B  82       4.142 -21.433   7.392  1.00 40.41           C
+ATOM   1693  CG  LYS B  82       3.479 -20.229   6.738  1.00 39.73           C
+ATOM   1694  CD  LYS B  82       2.160 -20.747   5.755  1.00 66.91           C
+ATOM   1695  CE  LYS B  82       1.685 -20.767   6.266  1.00 59.33           C
+ATOM   1696  NZ  LYS B  82      -0.023 -22.087   5.346  1.00 80.12           N
+ATOM   1697  N   GLY B  83       5.725 -22.942   9.358  1.00 26.18           N
+ATOM   1698  CA  GLY B  83       5.798 -23.724  10.746  1.00 41.64           C
+ATOM   1699  C   GLY B  83       6.819 -23.249  11.591  1.00 31.59           C
+ATOM   1700  O   GLY B  83       6.621 -23.464  12.858  1.00 36.40           O
+ATOM   1701  N   THR B  84       7.985 -22.864  11.019  1.00 26.72           N
+ATOM   1702  CA  THR B  84       9.150 -22.242  11.744  1.00 25.47           C
+ATOM   1703  C   THR B  84       8.609 -21.278  12.796  1.00 33.72           C
+ATOM   1704  O   THR B  84       8.964 -20.907  13.790  1.00 27.43           O
+ATOM   1705  CB  THR B  84      10.394 -21.742  11.042  1.00 25.58           C
+ATOM   1706  OG1 THR B  84      10.806 -23.108  10.337  1.00 39.04           O
+ATOM   1707  CG2 THR B  84      11.362 -21.482  11.789  1.00 30.76           C
+ATOM   1708  N   PHE B  85       7.740 -20.301  12.125  1.00 23.61           N
+ATOM   1709  CA  PHE B  85       7.236 -18.963  12.749  1.00 21.59           C
+ATOM   1710  C   PHE B  85       5.980 -19.056  13.414  1.00 28.51           C
+ATOM   1711  O   PHE B  85       5.496 -18.006  13.809  1.00 18.85           O
+ATOM   1712  CB  PHE B  85       7.575 -17.733  11.855  1.00 18.34           C
+ATOM   1713  CG  PHE B  85       8.914 -17.486  11.587  1.00 13.87           C
+ATOM   1714  CD1 PHE B  85       9.583 -17.701  10.358  1.00 16.61           C
+ATOM   1715  CD2 PHE B  85       9.616 -17.039  12.693  1.00 18.32           C
+ATOM   1716  CE1 PHE B  85      11.009 -17.444  10.305  1.00 27.99           C
+ATOM   1717  CE2 PHE B  85      11.013 -16.752  12.253  1.00 21.68           C
+ATOM   1718  CZ  PHE B  85      11.837 -16.973  11.161  1.00 21.59           C
+ATOM   1719  N   ALA B  86       5.328 -20.141  13.373  1.00 22.16           N
+ATOM   1720  CA  ALA B  86       3.899 -20.242  13.948  1.00 23.14           C
+ATOM   1721  C   ALA B  86       3.715 -19.788  15.246  1.00 20.99           C
+ATOM   1722  O   ALA B  86       2.881 -18.975  15.595  1.00 20.07           O
+ATOM   1723  CB  ALA B  86       3.272 -21.660  13.783  1.00 23.69           C
+ATOM   1724  N   THR B  87       4.501 -20.280  16.157  1.00 14.82           N
+ATOM   1725  CA  THR B  87       4.271 -19.764  17.443  1.00 18.61           C
+ATOM   1726  C   THR B  87       4.737 -18.271  17.729  1.00 25.42           C
+ATOM   1727  O   THR B  87       4.013 -17.569  18.383  1.00 23.63           O
+ATOM   1728  CB  THR B  87       5.631 -20.439  18.664  1.00 36.27           C
+ATOM   1729  OG1 THR B  87       5.010 -21.597  18.659  1.00 56.82           O
+ATOM   1730  CG2 THR B  87       4.455 -20.311  20.305  1.00 60.80           C
+ATOM   1731  N   LEU B  88       5.836 -17.770  16.978  1.00 19.44           N
+ATOM   1732  CA  LEU B  88       5.984 -16.362  17.087  1.00 17.97           C
+ATOM   1733  C   LEU B  88       4.882 -15.510  16.526  1.00 11.34           C
+ATOM   1734  O   LEU B  88       4.682 -14.416  16.964  1.00 17.71           O
+ATOM   1735  CB  LEU B  88       7.361 -16.058  16.476  1.00 20.20           C
+ATOM   1736  CG  LEU B  88       8.654 -16.553  17.229  1.00 27.17           C
+ATOM   1737  CD1 LEU B  88       9.614 -15.962  16.454  1.00 32.32           C
+ATOM   1738  CD2 LEU B  88       8.631 -15.491  18.343  1.00 27.72           C
+ATOM   1739  N   SER B  89       4.254 -16.087  15.451  1.00 12.58           N
+ATOM   1740  CA  SER B  89       3.084 -15.313  14.877  1.00 15.21           C
+ATOM   1741  C   SER B  89       1.999 -14.995  15.898  1.00 14.13           C
+ATOM   1742  O   SER B  89       1.472 -13.894  16.189  1.00 14.29           O
+ATOM   1743  CB  SER B  89       2.771 -16.248  13.670  1.00 18.34           C
+ATOM   1744  OG  SER B  89       1.531 -15.441  13.107  1.00 17.85           O
+ATOM   1745  N   GLU B  90       1.628 -16.201  16.484  1.00 14.25           N
+ATOM   1746  CA  GLU B  90       0.931 -16.070  17.617  1.00 20.50           C
+ATOM   1747  C   GLU B  90       0.876 -15.142  18.820  1.00 13.47           C
+ATOM   1748  O   GLU B  90       0.179 -14.243  19.122  1.00 16.05           O
+ATOM   1749  CB  GLU B  90       0.387 -17.706  18.270  1.00 21.76           C
+ATOM   1750  CG  GLU B  90       0.049 -18.266  17.145  1.00 48.13           C
+ATOM   1751  CD  GLU B  90      -0.726 -20.095  17.710  1.00 78.64           C
+ATOM   1752  OE1 GLU B  90      -1.132 -19.837  18.495  1.00 55.55           O
+ATOM   1753  OE2 GLU B  90       0.235 -20.950  17.492  1.00 74.37           O
+ATOM   1754  N   LEU B  91       2.312 -15.215  19.185  1.00 13.36           N
+ATOM   1755  CA  LEU B  91       2.718 -14.253  20.128  1.00 14.20           C
+ATOM   1756  C   LEU B  91       2.527 -12.831  19.767  1.00  8.80           C
+ATOM   1757  O   LEU B  91       2.160 -11.906  20.481  1.00 10.74           O
+ATOM   1758  CB  LEU B  91       4.110 -14.807  20.432  1.00 12.00           C
+ATOM   1759  CG  LEU B  91       4.669 -13.801  21.348  1.00 18.50           C
+ATOM   1760  CD1 LEU B  91       4.127 -14.212  22.834  1.00 20.79           C
+ATOM   1761  CD2 LEU B  91       5.943 -13.652  21.455  1.00 37.40           C
+ATOM   1762  N   HIS B  92       3.059 -12.662  18.493  1.00 10.78           N
+ATOM   1763  CA  HIS B  92       3.032 -11.268  18.253  1.00 11.85           C
+ATOM   1764  C   HIS B  92       1.536 -10.600  17.895  1.00 11.06           C
+ATOM   1765  O   HIS B  92       1.291  -9.431  18.158  1.00 13.45           O
+ATOM   1766  CB  HIS B  92       3.754 -11.078  16.807  1.00  9.95           C
+ATOM   1767  CG  HIS B  92       5.289 -10.900  17.051  1.00 15.50           C
+ATOM   1768  ND1 HIS B  92       6.099 -12.172  17.134  1.00 15.27           N
+ATOM   1769  CD2 HIS B  92       6.215  -9.905  16.994  1.00 23.76           C
+ATOM   1770  CE1 HIS B  92       7.432 -11.572  17.375  1.00 16.99           C
+ATOM   1771  NE2 HIS B  92       7.367 -10.337  17.129  1.00 14.76           N
+ATOM   1772  N   CYS B  93       0.636 -11.512  17.534  1.00 14.83           N
+ATOM   1773  CA  CYS B  93      -0.706 -11.057  17.499  1.00 12.23           C
+ATOM   1774  C   CYS B  93      -1.360 -10.953  18.986  1.00 10.49           C
+ATOM   1775  O   CYS B  93      -1.843  -9.987  19.222  1.00 18.01           O
+ATOM   1776  CB  CYS B  93      -1.330 -12.054  16.605  1.00 15.43           C
+ATOM   1777  SG  CYS B  93      -3.259 -11.741  16.494  1.00 18.37           S
+ATOM   1778  N   ASP B  94      -1.338 -12.094  19.598  1.00 13.11           N
+ATOM   1779  CA  ASP B  94      -2.308 -12.076  20.721  1.00 15.32           C
+ATOM   1780  C   ASP B  94      -1.586 -11.449  21.803  1.00 25.71           C
+ATOM   1781  O   ASP B  94      -2.319 -10.827  22.800  1.00 21.65           O
+ATOM   1782  CB  ASP B  94      -2.522 -13.477  21.183  1.00 21.65           C
+ATOM   1783  CG  ASP B  94      -3.443 -14.553  20.246  1.00 42.42           C
+ATOM   1784  OD1 ASP B  94      -3.967 -13.792  19.626  1.00 30.02           O
+ATOM   1785  OD2 ASP B  94      -3.094 -15.441  20.443  1.00 43.30           O
+ATOM   1786  N   LYS B  95      -0.348 -11.361  22.144  1.00 18.55           N
+ATOM   1787  CA  LYS B  95       0.080 -10.591  23.184  1.00 19.10           C
+ATOM   1788  C   LYS B  95       0.803  -9.499  23.130  1.00 19.57           C
+ATOM   1789  O   LYS B  95       0.736  -8.565  23.699  1.00 21.87           O
+ATOM   1790  CB  LYS B  95       1.151 -11.737  23.890  1.00 25.95           C
+ATOM   1791  CG  LYS B  95       0.477 -13.054  24.377  1.00 24.86           C
+ATOM   1792  CD  LYS B  95      -0.659 -12.473  25.407  1.00 36.14           C
+ATOM   1793  CE  LYS B  95      -1.063 -13.745  26.122  1.00 47.76           C
+ATOM   1794  NZ  LYS B  95      -2.126 -13.501  26.952  1.00 55.91           N
+ATOM   1795  N   LEU B  96       1.669  -9.358  21.897  1.00 12.40           N
+ATOM   1796  CA  LEU B  96       2.264  -8.159  21.581  1.00 11.86           C
+ATOM   1797  C   LEU B  96       1.626  -7.005  20.824  1.00 15.10           C
+ATOM   1798  O   LEU B  96       2.002  -5.926  20.849  1.00 17.50           O
+ATOM   1799  CB  LEU B  96       3.645  -8.491  21.134  1.00 14.08           C
+ATOM   1800  CG  LEU B  96       4.528  -9.722  21.739  1.00 12.34           C
+ATOM   1801  CD1 LEU B  96       5.778  -9.939  20.848  1.00 13.78           C
+ATOM   1802  CD2 LEU B  96       4.863  -8.876  23.113  1.00 22.81           C
+ATOM   1803  N   HIS B  97       0.616  -7.508  20.069  1.00 15.44           N
+ATOM   1804  CA  HIS B  97      -0.223  -6.510  19.374  1.00 18.15           C
+ATOM   1805  C   HIS B  97       0.581  -5.736  18.319  1.00 12.24           C
+ATOM   1806  O   HIS B  97       0.337  -4.532  18.056  1.00 15.82           O
+ATOM   1807  CB  HIS B  97      -1.053  -5.508  20.203  1.00 17.74           C
+ATOM   1808  CG  HIS B  97      -1.716  -6.273  21.483  1.00 16.77           C
+ATOM   1809  ND1 HIS B  97      -2.602  -7.310  21.250  1.00 19.56           N
+ATOM   1810  CD2 HIS B  97      -1.189  -6.197  22.703  1.00 23.33           C
+ATOM   1811  CE1 HIS B  97      -2.759  -7.812  22.476  1.00 19.82           C
+ATOM   1812  NE2 HIS B  97      -2.056  -7.104  23.341  1.00 20.39           N
+ATOM   1813  N   VAL B  98       1.359  -6.524  17.506  1.00 13.81           N
+ATOM   1814  CA  VAL B  98       2.284  -5.763  16.567  1.00  9.22           C
+ATOM   1815  C   VAL B  98       1.443  -5.905  15.109  1.00  9.86           C
+ATOM   1816  O   VAL B  98       1.420  -7.012  14.615  1.00 12.90           O
+ATOM   1817  CB  VAL B  98       3.592  -6.460  16.393  1.00  9.87           C
+ATOM   1818  CG1 VAL B  98       4.438  -5.824  15.405  1.00 14.91           C
+ATOM   1819  CG2 VAL B  98       4.444  -6.258  17.798  1.00 11.36           C
+ATOM   1820  N   ASP B  99       1.147  -4.763  14.513  1.00 11.46           N
+ATOM   1821  CA  ASP B  99       0.360  -4.723  13.272  1.00  9.02           C
+ATOM   1822  C   ASP B  99       1.555  -5.328  12.375  1.00 15.41           C
+ATOM   1823  O   ASP B  99       2.744  -4.931  12.235  1.00 10.63           O
+ATOM   1824  CB  ASP B  99       0.336  -3.327  12.907  1.00  9.79           C
+ATOM   1825  CG  ASP B  99      -0.231  -3.002  11.431  1.00 10.69           C
+ATOM   1826  OD1 ASP B  99      -0.535  -1.748  11.309  1.00 15.04           O
+ATOM   1827  OD2 ASP B  99      -0.299  -4.052  10.734  1.00 11.07           O
+ATOM   1828  N   PRO B 100       1.274  -6.350  11.556  1.00 10.46           N
+ATOM   1829  CA  PRO B 100       2.264  -7.099  10.669  1.00 11.87           C
+ATOM   1830  C   PRO B 100       2.744  -6.170   9.522  1.00 13.04           C
+ATOM   1831  O   PRO B 100       3.883  -6.627   8.995  1.00 13.79           O
+ATOM   1832  CB  PRO B 100       1.545  -8.233  10.081  1.00 17.03           C
+ATOM   1833  CG  PRO B 100       0.234  -8.243  10.793  1.00 17.33           C
+ATOM   1834  CD  PRO B 100      -0.030  -7.028  11.592  1.00  9.97           C
+ATOM   1835  N   GLU B 101       2.300  -4.973   9.393  1.00  9.66           N
+ATOM   1836  CA  GLU B 101       2.927  -3.983   8.469  1.00 11.29           C
+ATOM   1837  C   GLU B 101       4.322  -3.633   8.825  1.00 17.59           C
+ATOM   1838  O   GLU B 101       5.293  -3.640   8.196  1.00 16.98           O
+ATOM   1839  CB  GLU B 101       2.178  -2.819   8.156  1.00 18.71           C
+ATOM   1840  CG  GLU B 101       2.755  -1.760   7.270  1.00 30.25           C
+ATOM   1841  CD  GLU B 101       2.569  -2.612   5.445  1.00 26.27           C
+ATOM   1842  OE1 GLU B 101       1.725  -3.411   5.564  1.00 25.29           O
+ATOM   1843  OE2 GLU B 101       3.441  -1.765   5.293  1.00 34.30           O
+ATOM   1844  N   ASN B 102       4.601  -3.752  10.314  1.00 12.60           N
+ATOM   1845  CA  ASN B 102       5.969  -3.548  10.721  1.00  9.48           C
+ATOM   1846  C   ASN B 102       6.861  -4.572  10.309  1.00  8.44           C
+ATOM   1847  O   ASN B 102       8.118  -4.224  10.106  1.00 13.92           O
+ATOM   1848  CB  ASN B 102       5.901  -3.665  12.265  1.00 18.27           C
+ATOM   1849  CG  ASN B 102       5.284  -2.285  12.825  1.00 26.18           C
+ATOM   1850  OD1 ASN B 102       5.641  -1.422  12.815  1.00 20.87           O
+ATOM   1851  ND2 ASN B 102       4.003  -2.618  13.502  1.00 25.76           N
+ATOM   1852  N   PHE B 103       6.584  -5.846  10.057  1.00 11.66           N
+ATOM   1853  CA  PHE B 103       7.332  -6.920   9.605  1.00 11.79           C
+ATOM   1854  C   PHE B 103       7.931  -6.435   8.177  1.00 19.35           C
+ATOM   1855  O   PHE B 103       8.997  -6.751   7.762  1.00 16.06           O
+ATOM   1856  CB  PHE B 103       6.816  -8.253   9.574  1.00 12.75           C
+ATOM   1857  CG  PHE B 103       6.173  -8.727  10.951  1.00 17.48           C
+ATOM   1858  CD1 PHE B 103       6.884  -8.372  12.079  1.00 13.65           C
+ATOM   1859  CD2 PHE B 103       5.035  -9.335  10.925  1.00 13.36           C
+ATOM   1860  CE1 PHE B 103       6.240  -8.652  13.315  1.00 14.94           C
+ATOM   1861  CE2 PHE B 103       4.498  -9.665  12.273  1.00 14.24           C
+ATOM   1862  CZ  PHE B 103       5.298  -9.364  13.368  1.00 19.61           C
+ATOM   1863  N   ARG B 104       6.970  -5.873   7.380  1.00 13.60           N
+ATOM   1864  CA  ARG B 104       7.430  -5.624   6.005  1.00 17.00           C
+ATOM   1865  C   ARG B 104       8.326  -4.499   5.935  1.00 13.66           C
+ATOM   1866  O   ARG B 104       9.337  -4.368   5.141  1.00 13.41           O
+ATOM   1867  CB  ARG B 104       6.018  -5.177   5.223  1.00 18.62           C
+ATOM   1868  CG  ARG B 104       5.137  -6.280   4.965  1.00 31.60           C
+ATOM   1869  CD  ARG B 104       3.494  -6.093   4.370  1.00 44.99           C
+ATOM   1870  NE  ARG B 104       2.810  -7.429   5.065  1.00 53.69           N
+ATOM   1871  CZ  ARG B 104       1.600  -6.829   3.420  1.00 80.12           C
+ATOM   1872  NH1 ARG B 104       0.761  -5.157   3.344  1.00 72.76           N
+ATOM   1873  NH2 ARG B 104       1.186  -8.540   2.528  1.00 80.07           N
+ATOM   1874  N   LEU B 105       8.064  -3.438   6.831  1.00 12.29           N
+ATOM   1875  CA  LEU B 105       8.899  -2.275   6.982  1.00 11.07           C
+ATOM   1876  C   LEU B 105      10.327  -2.808   7.482  1.00 13.91           C
+ATOM   1877  O   LEU B 105      11.317  -2.347   6.887  1.00 14.94           O
+ATOM   1878  CB  LEU B 105       8.443  -1.409   8.005  1.00 12.50           C
+ATOM   1879  CG  LEU B 105       7.121  -0.514   7.549  1.00 17.21           C
+ATOM   1880  CD1 LEU B 105       6.747   0.236   8.813  1.00 19.52           C
+ATOM   1881  CD2 LEU B 105       7.420   0.384   6.353  1.00 25.82           C
+ATOM   1882  N   LEU B 106      10.302  -3.738   8.415  1.00 16.16           N
+ATOM   1883  CA  LEU B 106      11.679  -4.227   8.855  1.00 11.19           C
+ATOM   1884  C   LEU B 106      12.325  -4.914   7.713  1.00 11.49           C
+ATOM   1885  O   LEU B 106      13.544  -4.734   7.492  1.00 14.59           O
+ATOM   1886  CB  LEU B 106      11.615  -5.043  10.074  1.00  9.57           C
+ATOM   1887  CG  LEU B 106      12.904  -5.567  10.740  1.00 14.52           C
+ATOM   1888  CD1 LEU B 106      13.738  -4.483  11.015  1.00 20.21           C
+ATOM   1889  CD2 LEU B 106      12.609  -6.504  11.567  1.00 25.23           C
+ATOM   1890  N   GLY B 107      11.728  -5.699   6.854  1.00  8.80           N
+ATOM   1891  CA  GLY B 107      12.297  -6.476   5.851  1.00 11.35           C
+ATOM   1892  C   GLY B 107      12.781  -5.426   4.844  1.00 11.83           C
+ATOM   1893  O   GLY B 107      13.958  -5.700   4.332  1.00 14.42           O
+ATOM   1894  N   ASN B 108      12.187  -4.243   4.553  1.00 11.55           N
+ATOM   1895  CA  ASN B 108      12.802  -3.506   3.538  1.00  9.47           C
+ATOM   1896  C   ASN B 108      14.026  -2.647   4.184  1.00  9.85           C
+ATOM   1897  O   ASN B 108      14.983  -2.466   3.460  1.00 13.16           O
+ATOM   1898  CB  ASN B 108      11.824  -2.458   3.182  1.00 16.47           C
+ATOM   1899  CG  ASN B 108      10.727  -3.234   1.924  1.00 25.36           C
+ATOM   1900  OD1 ASN B 108      11.335  -4.320   1.398  1.00 28.00           O
+ATOM   1901  ND2 ASN B 108      10.036  -2.270   2.100  1.00 42.45           N
+ATOM   1902  N   VAL B 109      14.008  -2.327   5.491  1.00 11.97           N
+ATOM   1903  CA  VAL B 109      15.193  -1.717   6.001  1.00  8.99           C
+ATOM   1904  C   VAL B 109      16.259  -2.676   6.124  1.00 12.55           C
+ATOM   1905  O   VAL B 109      17.518  -2.304   5.902  1.00 13.71           O
+ATOM   1906  CB  VAL B 109      14.853  -1.250   7.488  1.00 15.07           C
+ATOM   1907  CG1 VAL B 109      16.100  -0.810   8.069  1.00 19.91           C
+ATOM   1908  CG2 VAL B 109      13.852   0.066   7.393  1.00 15.78           C
+ATOM   1909  N   LEU B 110      16.030  -4.023   6.388  1.00  9.97           N
+ATOM   1910  CA  LEU B 110      17.059  -5.101   6.357  1.00  9.78           C
+ATOM   1911  C   LEU B 110      17.764  -5.056   5.040  1.00 13.14           C
+ATOM   1912  O   LEU B 110      18.980  -5.187   4.895  1.00 11.97           O
+ATOM   1913  CB  LEU B 110      16.410  -6.369   6.847  1.00 11.11           C
+ATOM   1914  CG  LEU B 110      17.490  -7.596   6.862  1.00 18.59           C
+ATOM   1915  CD1 LEU B 110      18.696  -7.290   7.723  1.00 24.07           C
+ATOM   1916  CD2 LEU B 110      17.031  -8.897   7.193  1.00 21.67           C
+ATOM   1917  N   VAL B 111      17.015  -5.083   3.938  1.00 10.25           N
+ATOM   1918  CA  VAL B 111      17.517  -5.121   2.535  1.00  8.08           C
+ATOM   1919  C   VAL B 111      18.459  -3.959   2.465  1.00 10.10           C
+ATOM   1920  O   VAL B 111      19.605  -3.960   1.822  1.00 14.18           O
+ATOM   1921  CB  VAL B 111      16.320  -5.216   1.576  1.00 11.95           C
+ATOM   1922  CG1 VAL B 111      16.949  -4.942   0.196  1.00 16.64           C
+ATOM   1923  CG2 VAL B 111      15.888  -6.643   1.659  1.00 12.92           C
+ATOM   1924  N   CYS B 112      18.155  -2.685   2.811  1.00 10.01           N
+ATOM   1925  CA  CYS B 112      18.863  -1.400   2.699  1.00  9.19           C
+ATOM   1926  C   CYS B 112      20.143  -1.657   3.581  1.00 14.92           C
+ATOM   1927  O   CYS B 112      21.199  -1.284   3.015  1.00 13.93           O
+ATOM   1928  CB  CYS B 112      18.369  -0.230   3.207  1.00 15.04           C
+ATOM   1929  SG  CYS B 112      16.911   0.308   2.042  1.00 18.10           S
+ATOM   1930  N   VAL B 113      19.969  -2.202   4.651  1.00  9.52           N
+ATOM   1931  CA  VAL B 113      21.202  -2.512   5.398  1.00 11.92           C
+ATOM   1932  C   VAL B 113      22.035  -3.532   4.865  1.00 15.57           C
+ATOM   1933  O   VAL B 113      23.397  -3.138   4.862  1.00 13.38           O
+ATOM   1934  CB  VAL B 113      20.888  -2.948   6.932  1.00 12.70           C
+ATOM   1935  CG1 VAL B 113      22.031  -3.383   7.663  1.00 17.23           C
+ATOM   1936  CG2 VAL B 113      20.282  -1.893   7.694  1.00 17.43           C
+ATOM   1937  N   LEU B 114      21.768  -4.615   4.224  1.00 10.74           N
+ATOM   1938  CA  LEU B 114      22.632  -5.454   3.485  1.00 10.20           C
+ATOM   1939  C   LEU B 114      23.346  -4.641   2.455  1.00 10.87           C
+ATOM   1940  O   LEU B 114      24.522  -5.071   2.156  1.00 12.76           O
+ATOM   1941  CB  LEU B 114      21.856  -6.600   3.242  1.00  6.84           C
+ATOM   1942  CG  LEU B 114      21.362  -7.530   4.328  1.00 10.74           C
+ATOM   1943  CD1 LEU B 114      20.435  -8.554   3.798  1.00 15.38           C
+ATOM   1944  CD2 LEU B 114      22.500  -8.141   5.077  1.00 21.35           C
+ATOM   1945  N   ALA B 115      22.472  -3.897   1.677  1.00  9.28           N
+ATOM   1946  CA  ALA B 115      23.134  -3.206   0.546  1.00  9.22           C
+ATOM   1947  C   ALA B 115      24.284  -2.278   1.091  1.00  9.44           C
+ATOM   1948  O   ALA B 115      25.320  -2.142   0.446  1.00 12.10           O
+ATOM   1949  CB  ALA B 115      21.930  -2.539  -0.036  1.00 12.15           C
+ATOM   1950  N   HIS B 116      23.975  -1.612   2.171  1.00 13.11           N
+ATOM   1951  CA  HIS B 116      25.023  -0.593   2.641  1.00 12.81           C
+ATOM   1952  C   HIS B 116      26.176  -1.395   3.061  1.00 18.85           C
+ATOM   1953  O   HIS B 116      27.357  -0.986   2.878  1.00 16.05           O
+ATOM   1954  CB  HIS B 116      24.442   0.070   3.767  1.00 17.43           C
+ATOM   1955  CG  HIS B 116      25.164   1.158   4.279  1.00 27.80           C
+ATOM   1956  ND1 HIS B 116      25.567   1.157   5.736  1.00 27.30           N
+ATOM   1957  CD2 HIS B 116      25.793   2.195   3.793  1.00 25.62           C
+ATOM   1958  CE1 HIS B 116      26.226   2.480   5.818  1.00 29.22           C
+ATOM   1959  NE2 HIS B 116      26.570   2.986   4.660  1.00 26.05           N
+ATOM   1960  N   HIS B 117      26.066  -2.490   3.850  1.00 11.35           N
+ATOM   1961  CA  HIS B 117      27.064  -3.366   4.194  1.00 18.75           C
+ATOM   1962  C   HIS B 117      27.881  -3.985   3.242  1.00 20.53           C
+ATOM   1963  O   HIS B 117      29.104  -4.114   3.403  1.00 17.07           O
+ATOM   1964  CB  HIS B 117      26.621  -4.637   5.175  1.00 19.57           C
+ATOM   1965  CG  HIS B 117      27.096  -4.621   6.444  1.00 39.90           C
+ATOM   1966  ND1 HIS B 117      26.039  -3.036   6.824  1.00 47.73           N
+ATOM   1967  CD2 HIS B 117      28.146  -5.329   7.512  1.00 38.82           C
+ATOM   1968  CE1 HIS B 117      26.295  -2.928   8.550  1.00 27.38           C
+ATOM   1969  NE2 HIS B 117      26.763  -4.335   8.924  1.00 51.83           N
+ATOM   1970  N   PHE B 118      27.367  -4.628   2.104  1.00 13.44           N
+ATOM   1971  CA  PHE B 118      27.888  -5.419   1.096  1.00 13.47           C
+ATOM   1972  C   PHE B 118      28.280  -4.574  -0.126  1.00 14.52           C
+ATOM   1973  O   PHE B 118      29.082  -5.219  -0.874  1.00 15.85           O
+ATOM   1974  CB  PHE B 118      27.174  -6.618   0.947  1.00 14.99           C
+ATOM   1975  CG  PHE B 118      27.310  -7.470   1.980  1.00 22.65           C
+ATOM   1976  CD1 PHE B 118      26.224  -7.666   2.855  1.00 28.61           C
+ATOM   1977  CD2 PHE B 118      28.549  -8.159   2.601  1.00 34.26           C
+ATOM   1978  CE1 PHE B 118      26.242  -8.675   3.981  1.00 29.50           C
+ATOM   1979  CE2 PHE B 118      28.351  -9.080   3.277  1.00 36.60           C
+ATOM   1980  CZ  PHE B 118      27.627  -9.130   4.417  1.00 30.15           C
+ATOM   1981  N   GLY B 119      27.701  -3.412  -0.335  1.00 13.81           N
+ATOM   1982  CA  GLY B 119      28.107  -2.567  -1.533  1.00 14.28           C
+ATOM   1983  C   GLY B 119      27.814  -3.353  -2.686  1.00 17.07           C
+ATOM   1984  O   GLY B 119      26.808  -4.212  -2.888  1.00 16.48           O
+ATOM   1985  N   LYS B 120      28.740  -3.472  -3.465  1.00 19.17           N
+ATOM   1986  CA  LYS B 120      28.535  -4.059  -4.848  1.00 27.00           C
+ATOM   1987  C   LYS B 120      28.486  -5.640  -4.886  1.00 25.94           C
+ATOM   1988  O   LYS B 120      27.868  -6.039  -5.935  1.00 20.66           O
+ATOM   1989  CB  LYS B 120      29.863  -3.838  -5.852  1.00 31.85           C
+ATOM   1990  CG  LYS B 120      30.960  -4.510  -5.562  1.00 36.58           C
+ATOM   1991  CD  LYS B 120      32.161  -4.170  -6.625  1.00 49.76           C
+ATOM   1992  CE  LYS B 120      33.201  -5.292  -5.966  1.00 55.47           C
+ATOM   1993  NZ  LYS B 120      34.292  -5.686  -6.589  1.00 71.03           N
+ATOM   1994  N   GLU B 121      28.720  -6.302  -3.902  1.00 20.26           N
+ATOM   1995  CA  GLU B 121      28.393  -7.556  -3.778  1.00 15.17           C
+ATOM   1996  C   GLU B 121      26.786  -7.871  -3.622  1.00 13.63           C
+ATOM   1997  O   GLU B 121      26.362  -9.055  -3.923  1.00 17.16           O
+ATOM   1998  CB  GLU B 121      29.233  -8.318  -2.533  1.00 29.40           C
+ATOM   1999  CG  GLU B 121      29.541  -9.342  -2.700  1.00 50.25           C
+ATOM   2000  CD  GLU B 121      30.241  -9.882  -0.830  1.00 42.74           C
+ATOM   2001  OE1 GLU B 121      29.786 -11.667  -1.141  1.00 47.83           O
+ATOM   2002  OE2 GLU B 121      31.217  -9.425  -1.168  1.00 34.52           O
+ATOM   2003  N   PHE B 122      26.054  -6.831  -3.241  1.00 14.63           N
+ATOM   2004  CA  PHE B 122      24.581  -7.077  -3.075  1.00 15.34           C
+ATOM   2005  C   PHE B 122      24.015  -6.737  -4.532  1.00 13.61           C
+ATOM   2006  O   PHE B 122      23.478  -5.701  -4.760  1.00 14.29           O
+ATOM   2007  CB  PHE B 122      24.133  -6.005  -1.987  1.00 12.07           C
+ATOM   2008  CG  PHE B 122      22.750  -6.466  -1.525  1.00 11.02           C
+ATOM   2009  CD1 PHE B 122      22.540  -7.652  -0.894  1.00 16.65           C
+ATOM   2010  CD2 PHE B 122      21.790  -5.593  -1.747  1.00 10.83           C
+ATOM   2011  CE1 PHE B 122      21.288  -8.069  -0.329  1.00 13.73           C
+ATOM   2012  CE2 PHE B 122      20.427  -5.937  -1.325  1.00 12.97           C
+ATOM   2013  CZ  PHE B 122      20.322  -7.247  -0.672  1.00 16.05           C
+ATOM   2014  N   THR B 123      24.216  -7.664  -5.332  1.00 18.07           N
+ATOM   2015  CA  THR B 123      23.866  -7.444  -6.796  1.00 21.03           C
+ATOM   2016  C   THR B 123      22.176  -7.347  -6.888  1.00 27.18           C
+ATOM   2017  O   THR B 123      21.678  -7.911  -6.078  1.00 14.31           O
+ATOM   2018  CB  THR B 123      24.352  -8.535  -7.622  1.00 19.82           C
+ATOM   2019  OG1 THR B 123      24.030  -9.746  -7.305  1.00 17.47           O
+ATOM   2020  CG2 THR B 123      25.945  -8.568  -7.681  1.00 22.67           C
+ATOM   2021  N   PRO B 124      21.821  -7.033  -7.981  1.00 19.47           N
+ATOM   2022  CA  PRO B 124      20.309  -7.060  -8.306  1.00 20.19           C
+ATOM   2023  C   PRO B 124      19.874  -8.457  -8.199  1.00 20.69           C
+ATOM   2024  O   PRO B 124      18.738  -8.543  -7.455  1.00 13.34           O
+ATOM   2025  CB  PRO B 124      20.074  -6.480  -9.678  1.00 17.09           C
+ATOM   2026  CG  PRO B 124      21.308  -5.510  -9.842  1.00 18.87           C
+ATOM   2027  CD  PRO B 124      22.649  -6.190  -9.202  1.00 24.42           C
+ATOM   2028  N   PRO B 125      20.354  -9.489  -8.576  1.00 16.20           N
+ATOM   2029  CA  PRO B 125      19.952 -10.892  -8.433  1.00 16.84           C
+ATOM   2030  C   PRO B 125      19.925 -11.341  -6.992  1.00 14.92           C
+ATOM   2031  O   PRO B 125      18.950 -11.983  -6.530  1.00 16.05           O
+ATOM   2032  CB  PRO B 125      20.675 -11.924  -9.198  1.00 19.48           C
+ATOM   2033  CG  PRO B 125      21.240 -11.056 -10.143  1.00 21.56           C
+ATOM   2034  CD  PRO B 125      21.611  -9.723  -9.654  1.00 25.73           C
+ATOM   2035  N   VAL B 126      20.904 -10.923  -6.329  1.00 13.83           N
+ATOM   2036  CA  VAL B 126      20.919 -11.183  -4.904  1.00 19.80           C
+ATOM   2037  C   VAL B 126      20.061 -10.295  -4.143  1.00 14.89           C
+ATOM   2038  O   VAL B 126      19.229 -10.946  -3.203  1.00 13.92           O
+ATOM   2039  CB  VAL B 126      22.424 -10.769  -4.382  1.00 19.55           C
+ATOM   2040  CG1 VAL B 126      22.408 -11.156  -2.912  1.00 21.55           C
+ATOM   2041  CG2 VAL B 126      23.366 -11.841  -4.809  1.00 27.82           C
+ATOM   2042  N   GLN B 127      19.711  -9.155  -4.321  1.00 13.64           N
+ATOM   2043  CA  GLN B 127      18.607  -8.382  -3.880  1.00  9.72           C
+ATOM   2044  C   GLN B 127      17.397  -9.130  -3.899  1.00 16.14           C
+ATOM   2045  O   GLN B 127      16.431  -9.272  -3.189  1.00 12.24           O
+ATOM   2046  CB  GLN B 127      18.574  -6.951  -4.292  1.00 13.15           C
+ATOM   2047  CG  GLN B 127      17.258  -6.340  -3.818  1.00 13.42           C
+ATOM   2048  CD  GLN B 127      17.180  -5.056  -4.465  1.00 16.28           C
+ATOM   2049  OE1 GLN B 127      17.979  -4.488  -5.247  1.00 16.20           O
+ATOM   2050  NE2 GLN B 127      16.107  -4.400  -4.118  1.00 19.47           N
+ATOM   2051  N   ALA B 128      17.014  -9.478  -5.230  1.00 15.15           N
+ATOM   2052  CA  ALA B 128      15.847 -10.225  -5.543  1.00 15.02           C
+ATOM   2053  C   ALA B 128      15.496 -11.450  -4.737  1.00 11.97           C
+ATOM   2054  O   ALA B 128      14.413 -11.642  -4.228  1.00 16.35           O
+ATOM   2055  CB  ALA B 128      15.759 -10.403  -7.092  1.00 17.08           C
+ATOM   2056  N   ALA B 129      16.462 -12.287  -4.461  1.00 13.66           N
+ATOM   2057  CA  ALA B 129      16.408 -13.427  -3.647  1.00 13.76           C
+ATOM   2058  C   ALA B 129      16.208 -12.966  -2.160  1.00 10.22           C
+ATOM   2059  O   ALA B 129      15.192 -13.627  -1.584  1.00 10.46           O
+ATOM   2060  CB  ALA B 129      17.632 -14.165  -3.702  1.00 13.23           C
+ATOM   2061  N   TYR B 130      16.867 -11.953  -1.693  1.00 10.66           N
+ATOM   2062  CA  TYR B 130      16.462 -11.629  -0.331  1.00 13.05           C
+ATOM   2063  C   TYR B 130      15.102 -10.929  -0.163  1.00 11.70           C
+ATOM   2064  O   TYR B 130      14.473 -11.012   0.813  1.00 11.83           O
+ATOM   2065  CB  TYR B 130      17.543 -10.575   0.161  1.00 11.97           C
+ATOM   2066  CG  TYR B 130      18.623 -11.287   0.924  1.00 13.90           C
+ATOM   2067  CD1 TYR B 130      18.650 -11.526   2.272  1.00 15.61           C
+ATOM   2068  CD2 TYR B 130      19.782 -11.574   0.237  1.00 14.18           C
+ATOM   2069  CE1 TYR B 130      19.630 -12.272   2.811  1.00 19.97           C
+ATOM   2070  CE2 TYR B 130      20.865 -12.543   0.889  1.00 19.65           C
+ATOM   2071  CZ  TYR B 130      20.770 -12.571   2.260  1.00 22.28           C
+ATOM   2072  OH  TYR B 130      21.731 -13.339   2.902  1.00 21.52           O
+ATOM   2073  N   GLN B 131      14.606 -10.236  -1.202  1.00 12.03           N
+ATOM   2074  CA  GLN B 131      13.282  -9.830  -1.214  1.00 12.03           C
+ATOM   2075  C   GLN B 131      12.216 -10.851  -1.125  1.00 12.76           C
+ATOM   2076  O   GLN B 131      11.369 -10.664  -0.189  1.00 15.09           O
+ATOM   2077  CB  GLN B 131      12.944  -9.078  -2.464  1.00 14.85           C
+ATOM   2078  CG  GLN B 131      13.735  -7.716  -2.449  1.00 19.57           C
+ATOM   2079  CD  GLN B 131      13.251  -6.548  -1.638  1.00 22.82           C
+ATOM   2080  OE1 GLN B 131      13.981  -5.553  -1.833  1.00 18.44           O
+ATOM   2081  NE2 GLN B 131      12.251  -6.415  -0.990  1.00 16.43           N
+ATOM   2082  N   LYS B 132      12.503 -11.991  -1.746  1.00 12.50           N
+ATOM   2083  CA  LYS B 132      11.644 -13.098  -1.708  1.00 14.23           C
+ATOM   2084  C   LYS B 132      11.592 -13.603  -0.224  1.00 17.46           C
+ATOM   2085  O   LYS B 132      10.599 -13.851   0.497  1.00 14.87           O
+ATOM   2086  CB  LYS B 132      11.937 -14.147  -2.452  1.00 19.74           C
+ATOM   2087  CG  LYS B 132      11.561 -13.879  -3.966  1.00 26.28           C
+ATOM   2088  CD  LYS B 132      11.989 -15.031  -4.739  1.00 31.58           C
+ATOM   2089  CE  LYS B 132      11.660 -14.274  -6.180  1.00 32.98           C
+ATOM   2090  NZ  LYS B 132      12.119 -15.998  -6.779  1.00 37.48           N
+ATOM   2091  N   VAL B 133      12.856 -13.702   0.483  1.00 17.22           N
+ATOM   2092  CA  VAL B 133      13.038 -14.205   1.805  1.00 11.45           C
+ATOM   2093  C   VAL B 133      12.401 -13.319   2.840  1.00 11.90           C
+ATOM   2094  O   VAL B 133      11.556 -13.799   3.731  1.00 13.71           O
+ATOM   2095  CB  VAL B 133      14.459 -14.401   2.160  1.00 16.41           C
+ATOM   2096  CG1 VAL B 133      14.632 -14.683   3.511  1.00 36.18           C
+ATOM   2097  CG2 VAL B 133      15.014 -15.541   1.250  1.00 15.51           C
+ATOM   2098  N   VAL B 134      12.512 -11.981   2.749  1.00 13.21           N
+ATOM   2099  CA  VAL B 134      12.091 -11.081   3.574  1.00 12.26           C
+ATOM   2100  C   VAL B 134      10.632 -11.128   3.483  1.00 16.19           C
+ATOM   2101  O   VAL B 134       9.763 -10.888   4.517  1.00 17.40           O
+ATOM   2102  CB  VAL B 134      12.356  -9.643   3.780  1.00 11.96           C
+ATOM   2103  CG1 VAL B 134      13.841  -9.777   4.082  1.00 18.38           C
+ATOM   2104  CG2 VAL B 134      12.314  -8.873   2.475  1.00 14.78           C
+ATOM   2105  N   ALA B 135       9.938 -11.113   2.262  1.00 13.32           N
+ATOM   2106  CA  ALA B 135       8.505 -11.237   2.119  1.00 21.37           C
+ATOM   2107  C   ALA B 135       7.942 -12.494   2.777  1.00 17.09           C
+ATOM   2108  O   ALA B 135       6.829 -12.512   3.348  1.00 17.43           O
+ATOM   2109  CB  ALA B 135       8.135 -10.953   0.769  1.00 28.77           C
+ATOM   2110  N   GLY B 136       8.572 -13.635   2.636  1.00 18.26           N
+ATOM   2111  CA  GLY B 136       8.219 -15.058   3.189  1.00 19.82           C
+ATOM   2112  C   GLY B 136       8.146 -14.912   4.633  1.00 16.67           C
+ATOM   2113  O   GLY B 136       7.260 -15.405   5.231  1.00 15.34           O
+ATOM   2114  N   VAL B 137       9.300 -14.354   5.275  1.00 19.06           N
+ATOM   2115  CA  VAL B 137       9.275 -14.229   6.676  1.00 13.40           C
+ATOM   2116  C   VAL B 137       8.222 -13.320   7.172  1.00 14.98           C
+ATOM   2117  O   VAL B 137       7.448 -13.726   8.127  1.00 15.32           O
+ATOM   2118  CB  VAL B 137      10.681 -13.683   7.141  1.00 12.05           C
+ATOM   2119  CG1 VAL B 137      10.587 -13.517   8.589  1.00 24.37           C
+ATOM   2120  CG2 VAL B 137      11.663 -14.723   6.701  1.00 11.44           C
+ATOM   2121  N   ALA B 138       7.830 -12.223   6.567  1.00 14.63           N
+ATOM   2122  CA  ALA B 138       6.739 -11.343   6.960  1.00 14.97           C
+ATOM   2123  C   ALA B 138       5.477 -12.035   7.025  1.00 14.00           C
+ATOM   2124  O   ALA B 138       4.520 -11.965   7.766  1.00 15.18           O
+ATOM   2125  CB  ALA B 138       6.733 -10.129   6.135  1.00 21.60           C
+ATOM   2126  N   ASN B 139       5.257 -12.632   5.801  1.00 14.76           N
+ATOM   2127  CA  ASN B 139       3.965 -13.443   5.693  1.00 19.56           C
+ATOM   2128  C   ASN B 139       3.788 -14.741   6.508  1.00 16.64           C
+ATOM   2129  O   ASN B 139       2.773 -14.813   7.122  1.00 15.66           O
+ATOM   2130  CB  ASN B 139       3.915 -14.281   4.273  1.00 32.30           C
+ATOM   2131  CG  ASN B 139       3.642 -13.817   3.893  1.00 58.46           C
+ATOM   2132  OD1 ASN B 139       3.350 -12.337   3.410  1.00 49.38           O
+ATOM   2133  ND2 ASN B 139       4.138 -13.358   1.997  1.00 59.02           N
+ATOM   2134  N   ALA B 140       4.975 -15.279   6.996  1.00 12.53           N
+ATOM   2135  CA  ALA B 140       4.880 -16.341   7.880  1.00 19.39           C
+ATOM   2136  C   ALA B 140       4.686 -15.725   9.225  1.00 15.37           C
+ATOM   2137  O   ALA B 140       3.890 -16.337  10.107  1.00 15.92           O
+ATOM   2138  CB  ALA B 140       6.298 -17.186   7.962  1.00 22.20           C
+ATOM   2139  N   LEU B 141       5.135 -14.663   9.697  1.00 12.47           N
+ATOM   2140  CA  LEU B 141       4.897 -13.957  10.913  1.00 15.63           C
+ATOM   2141  C   LEU B 141       3.480 -13.697  11.034  1.00 21.66           C
+ATOM   2142  O   LEU B 141       2.905 -13.294  12.092  1.00 17.40           O
+ATOM   2143  CB  LEU B 141       5.926 -12.962  11.275  1.00 15.12           C
+ATOM   2144  CG  LEU B 141       7.158 -13.407  11.868  1.00 17.02           C
+ATOM   2145  CD1 LEU B 141       8.083 -12.226  12.076  1.00 19.94           C
+ATOM   2146  CD2 LEU B 141       7.122 -13.935  13.238  1.00 21.74           C
+ATOM   2147  N   ALA B 142       2.836 -13.244   9.876  1.00 12.86           N
+ATOM   2148  CA  ALA B 142       1.608 -12.628   9.849  1.00 14.61           C
+ATOM   2149  C   ALA B 142       0.405 -13.995   9.823  1.00 20.31           C
+ATOM   2150  O   ALA B 142      -0.813 -13.424  10.022  1.00 18.06           O
+ATOM   2151  CB  ALA B 142       1.282 -11.676   8.702  1.00 21.40           C
+ATOM   2152  N   HIS B 143       0.842 -15.030   9.582  1.00 17.95           N
+ATOM   2153  CA  HIS B 143       0.024 -16.256   9.074  1.00 26.37           C
+ATOM   2154  C   HIS B 143      -1.200 -16.456  10.329  1.00 19.76           C
+ATOM   2155  O   HIS B 143      -2.306 -16.886   9.956  1.00 21.59           O
+ATOM   2156  CB  HIS B 143       0.773 -17.382   8.911  1.00 35.96           C
+ATOM   2157  CG  HIS B 143      -0.236 -18.629   8.237  1.00 57.59           C
+ATOM   2158  ND1 HIS B 143       0.057 -19.594   9.608  1.00 48.44           N
+ATOM   2159  CD2 HIS B 143      -0.841 -18.281   7.293  1.00 54.87           C
+ATOM   2160  CE1 HIS B 143      -0.983 -20.316   8.077  1.00 74.03           C
+ATOM   2161  NE2 HIS B 143      -1.640 -19.381   7.013  1.00 57.99           N
+ATOM   2162  N   LYS B 144      -0.804 -16.302  11.559  1.00 18.69           N
+ATOM   2163  CA  LYS B 144      -1.735 -16.737  12.588  1.00 14.86           C
+ATOM   2164  C   LYS B 144      -2.396 -15.617  12.962  1.00 16.55           C
+ATOM   2165  O   LYS B 144      -3.129 -15.705  14.113  1.00 18.03           O
+ATOM   2166  CB  LYS B 144      -0.819 -17.365  13.621  1.00 17.13           C
+ATOM   2167  CG  LYS B 144      -0.392 -18.897  13.123  1.00 20.99           C
+ATOM   2168  CD  LYS B 144      -1.238 -19.970  13.316  1.00 34.56           C
+ATOM   2169  CE  LYS B 144      -2.035 -21.775  13.683  1.00 62.41           C
+ATOM   2170  NZ  LYS B 144      -0.955 -22.424  15.226  1.00 62.40           N
+ATOM   2171  N   TYR B 145      -2.408 -14.424  12.668  1.00 19.33           N
+ATOM   2172  CA  TYR B 145      -3.111 -13.193  12.851  1.00 25.80           C
+ATOM   2173  C   TYR B 145      -4.833 -13.485  12.942  1.00 37.10           C
+ATOM   2174  O   TYR B 145      -4.989 -14.273  11.858  1.00 25.59           O
+ATOM   2175  CB  TYR B 145      -2.815 -11.990  12.502  1.00 20.19           C
+ATOM   2176  CG  TYR B 145      -1.513 -11.202  13.062  1.00 16.11           C
+ATOM   2177  CD1 TYR B 145      -1.713 -10.043  13.732  1.00 13.84           C
+ATOM   2178  CD2 TYR B 145      -0.444 -12.052  12.964  1.00 19.35           C
+ATOM   2179  CE1 TYR B 145      -0.716  -9.470  14.306  1.00 14.00           C
+ATOM   2180  CE2 TYR B 145       0.824 -11.431  13.760  1.00 16.15           C
+ATOM   2181  CZ  TYR B 145       0.705 -10.123  14.396  1.00 11.23           C
+ATOM   2182  OH  TYR B 145       1.824  -9.505  14.779  1.00 11.07           O
+ATOM   2183  N   HIS B 146      -5.455 -13.156  13.610  1.00 22.40           N
+ATOM   2184  CA  HIS B 146      -7.082 -13.260  13.817  1.00 24.36           C
+ATOM   2185  C   HIS B 146      -7.642 -12.243  14.547  1.00 19.29           C
+ATOM   2186  O   HIS B 146      -6.896 -11.423  15.229  1.00 20.20           O
+ATOM   2187  CB  HIS B 146      -7.319 -14.676  14.251  1.00 17.91           C
+ATOM   2188  CG  HIS B 146      -7.349 -14.408  16.278  1.00 30.29           C
+ATOM   2189  ND1 HIS B 146      -7.504 -15.329  16.577  1.00 56.02           N
+ATOM   2190  CD2 HIS B 146      -5.754 -14.700  16.400  1.00 32.02           C
+ATOM   2191  CE1 HIS B 146      -6.763 -15.571  18.243  1.00 45.40           C
+ATOM   2192  NE2 HIS B 146      -6.023 -14.569  17.782  1.00 35.25           N
+ATOM   2193  OXT HIS B 146      -8.867 -12.118  14.478  1.00 28.98           O
+TER    2194      HIS B 146
+ATOM   2195  N   VAL C   1      -6.932  15.801  -4.736  1.00 53.78           N
+ATOM   2196  CA  VAL C   1      -6.986  18.132  -4.726  1.00 39.83           C
+ATOM   2197  C   VAL C   1      -8.725  18.013  -5.289  1.00 29.73           C
+ATOM   2198  O   VAL C   1      -9.322  17.317  -6.202  1.00 31.20           O
+ATOM   2199  CB  VAL C   1      -6.406  17.702  -5.747  1.00 52.94           C
+ATOM   2200  CG1 VAL C   1      -7.045  19.788  -6.149  1.00 47.73           C
+ATOM   2201  CG2 VAL C   1      -5.138  19.765  -5.197  1.00 67.01           C
+ATOM   2202  N   LEU C   2      -9.481  18.489  -4.357  1.00 33.50           N
+ATOM   2203  CA  LEU C   2     -10.829  18.318  -4.244  1.00 35.54           C
+ATOM   2204  C   LEU C   2     -11.593  19.461  -5.392  1.00 25.83           C
+ATOM   2205  O   LEU C   2     -11.224  20.587  -4.763  1.00 37.30           O
+ATOM   2206  CB  LEU C   2     -11.320  18.570  -2.993  1.00 38.49           C
+ATOM   2207  CG  LEU C   2     -11.368  17.191  -2.068  1.00 34.89           C
+ATOM   2208  CD1 LEU C   2     -11.559  17.406  -0.855  1.00 40.00           C
+ATOM   2209  CD2 LEU C   2     -11.556  16.072  -2.571  1.00 36.30           C
+ATOM   2210  N   SER C   3     -12.051  19.126  -6.445  1.00 20.82           N
+ATOM   2211  CA  SER C   3     -12.764  20.102  -7.265  1.00 16.99           C
+ATOM   2212  C   SER C   3     -13.851  20.641  -6.492  1.00 19.86           C
+ATOM   2213  O   SER C   3     -14.562  20.118  -5.605  1.00 23.30           O
+ATOM   2214  CB  SER C   3     -12.915  19.412  -8.479  1.00 21.69           C
+ATOM   2215  OG  SER C   3     -14.045  18.617  -8.438  1.00 24.96           O
+ATOM   2216  N   PRO C   4     -14.614  21.747  -7.040  1.00 27.73           N
+ATOM   2217  CA  PRO C   4     -15.686  22.248  -6.606  1.00 18.30           C
+ATOM   2218  C   PRO C   4     -16.940  21.185  -6.683  1.00 21.79           C
+ATOM   2219  O   PRO C   4     -17.669  21.118  -5.776  1.00 30.78           O
+ATOM   2220  CB  PRO C   4     -16.024  23.555  -7.534  1.00 35.17           C
+ATOM   2221  CG  PRO C   4     -14.548  23.940  -7.997  1.00 39.10           C
+ATOM   2222  CD  PRO C   4     -13.753  22.599  -7.931  1.00 33.69           C
+ATOM   2223  N   ALA C   5     -16.700  20.569  -7.707  1.00 20.53           N
+ATOM   2224  CA  ALA C   5     -17.694  19.448  -7.877  1.00 15.17           C
+ATOM   2225  C   ALA C   5     -17.668  18.427  -6.566  1.00 17.36           C
+ATOM   2226  O   ALA C   5     -18.567  17.818  -6.161  1.00 18.86           O
+ATOM   2227  CB  ALA C   5     -17.845  18.678  -9.144  1.00 14.70           C
+ATOM   2228  N   ASP C   6     -16.408  17.997  -6.530  1.00 17.28           N
+ATOM   2229  CA  ASP C   6     -16.090  17.056  -5.440  1.00 13.65           C
+ATOM   2230  C   ASP C   6     -16.737  17.558  -4.126  1.00 16.19           C
+ATOM   2231  O   ASP C   6     -17.234  16.746  -3.292  1.00 18.77           O
+ATOM   2232  CB  ASP C   6     -14.589  16.808  -5.234  1.00 14.90           C
+ATOM   2233  CG  ASP C   6     -14.039  15.955  -6.391  1.00 15.46           C
+ATOM   2234  OD1 ASP C   6     -14.772  14.926  -6.958  1.00 20.59           O
+ATOM   2235  OD2 ASP C   6     -12.866  16.168  -6.605  1.00 19.80           O
+ATOM   2236  N   LYS C   7     -16.400  18.816  -3.902  1.00 17.95           N
+ATOM   2237  CA  LYS C   7     -17.103  19.561  -2.483  1.00 25.53           C
+ATOM   2238  C   LYS C   7     -18.248  19.426  -2.208  1.00 19.12           C
+ATOM   2239  O   LYS C   7     -18.931  19.046  -1.371  1.00 19.71           O
+ATOM   2240  CB  LYS C   7     -16.318  20.793  -2.391  1.00 27.50           C
+ATOM   2241  CG  LYS C   7     -14.901  20.741  -2.614  1.00 53.71           C
+ATOM   2242  CD  LYS C   7     -13.993  22.186  -1.677  1.00 60.72           C
+ATOM   2243  CE  LYS C   7     -13.186  22.490  -2.528  1.00 63.74           C
+ATOM   2244  NZ  LYS C   7     -12.305  23.225  -2.858  1.00 80.12           N
+ATOM   2245  N   THR C   8     -18.940  19.776  -3.501  1.00 18.59           N
+ATOM   2246  CA  THR C   8     -20.439  19.567  -3.523  1.00 17.68           C
+ATOM   2247  C   THR C   8     -21.010  18.410  -3.219  1.00 15.92           C
+ATOM   2248  O   THR C   8     -21.956  18.189  -2.497  1.00 18.11           O
+ATOM   2249  CB  THR C   8     -21.005  20.281  -5.121  1.00 18.41           C
+ATOM   2250  OG1 THR C   8     -20.596  21.570  -4.936  1.00 22.00           O
+ATOM   2251  CG2 THR C   8     -22.332  20.382  -5.020  1.00 19.72           C
+ATOM   2252  N   ASN C   9     -20.389  17.337  -3.881  1.00 14.52           N
+ATOM   2253  CA  ASN C   9     -20.679  15.854  -3.720  1.00 11.76           C
+ATOM   2254  C   ASN C   9     -20.524  15.368  -2.372  1.00 13.43           C
+ATOM   2255  O   ASN C   9     -21.452  14.760  -1.788  1.00 14.77           O
+ATOM   2256  CB  ASN C   9     -19.952  14.978  -4.802  1.00 15.52           C
+ATOM   2257  CG  ASN C   9     -20.502  14.902  -6.224  1.00 21.23           C
+ATOM   2258  OD1 ASN C   9     -21.551  15.460  -6.366  1.00 17.78           O
+ATOM   2259  ND2 ASN C   9     -19.655  14.764  -7.036  1.00 16.93           N
+ATOM   2260  N   VAL C  10     -19.456  15.819  -1.845  1.00 15.37           N
+ATOM   2261  CA  VAL C  10     -19.214  15.430  -0.511  1.00 15.09           C
+ATOM   2262  C   VAL C  10     -20.248  16.151   0.791  1.00 19.82           C
+ATOM   2263  O   VAL C  10     -20.653  15.344   1.499  1.00 21.55           O
+ATOM   2264  CB  VAL C  10     -17.776  15.740  -0.056  1.00 23.83           C
+ATOM   2265  CG1 VAL C  10     -17.369  15.319   1.491  1.00 26.38           C
+ATOM   2266  CG2 VAL C  10     -16.835  14.843  -0.837  1.00 22.96           C
+ATOM   2267  N   LYS C  11     -20.423  17.395   0.515  1.00 19.06           N
+ATOM   2268  CA  LYS C  11     -21.545  18.040   1.267  1.00 21.27           C
+ATOM   2269  C   LYS C  11     -22.705  17.621   1.194  1.00 24.36           C
+ATOM   2270  O   LYS C  11     -23.497  17.219   2.050  1.00 26.88           O
+ATOM   2271  CB  LYS C  11     -21.200  19.455   1.180  1.00 24.11           C
+ATOM   2272  CG  LYS C  11     -19.982  20.187   1.471  1.00 39.96           C
+ATOM   2273  CD  LYS C  11     -20.184  21.708   1.326  1.00 36.60           C
+ATOM   2274  CE  LYS C  11     -19.119  22.424   1.599  1.00 40.99           C
+ATOM   2275  NZ  LYS C  11     -18.303  23.379   0.156  1.00 57.68           N
+ATOM   2276  N   ALA C  12     -23.071  17.255  -0.098  1.00 26.89           N
+ATOM   2277  CA  ALA C  12     -24.190  16.574  -0.166  1.00 22.80           C
+ATOM   2278  C   ALA C  12     -24.709  15.466   0.479  1.00 22.96           C
+ATOM   2279  O   ALA C  12     -25.641  14.894   1.303  1.00 25.17           O
+ATOM   2280  CB  ALA C  12     -24.758  16.354  -1.436  1.00 30.68           C
+ATOM   2281  N   ALA C  13     -23.698  14.326   0.213  1.00 19.81           N
+ATOM   2282  CA  ALA C  13     -23.581  12.980   0.775  1.00 20.52           C
+ATOM   2283  C   ALA C  13     -23.620  13.074   2.219  1.00 17.10           C
+ATOM   2284  O   ALA C  13     -24.459  12.346   2.958  1.00 22.70           O
+ATOM   2285  CB  ALA C  13     -22.559  12.176   0.137  1.00 20.00           C
+ATOM   2286  N   TRP C  14     -22.646  13.784   2.878  1.00 18.93           N
+ATOM   2287  CA  TRP C  14     -22.430  13.732   4.346  1.00 19.61           C
+ATOM   2288  C   TRP C  14     -23.567  14.473   4.894  1.00 29.50           C
+ATOM   2289  O   TRP C  14     -24.277  14.100   6.022  1.00 22.89           O
+ATOM   2290  CB  TRP C  14     -21.334  14.670   4.695  1.00 20.94           C
+ATOM   2291  CG  TRP C  14     -20.803  14.092   5.924  1.00 20.44           C
+ATOM   2292  CD1 TRP C  14     -21.097  15.028   7.151  1.00 25.06           C
+ATOM   2293  CD2 TRP C  14     -20.135  12.848   6.216  1.00 19.23           C
+ATOM   2294  NE1 TRP C  14     -20.337  14.117   8.027  1.00 26.03           N
+ATOM   2295  CE2 TRP C  14     -19.941  12.969   7.773  1.00 27.20           C
+ATOM   2296  CE3 TRP C  14     -19.861  11.878   5.555  1.00 24.26           C
+ATOM   2297  CZ2 TRP C  14     -19.510  11.822   8.284  1.00 29.42           C
+ATOM   2298  CZ3 TRP C  14     -19.277  10.605   6.015  1.00 27.47           C
+ATOM   2299  CH2 TRP C  14     -19.230  10.798   7.728  1.00 31.11           C
+ATOM   2300  N   GLY C  15     -24.359  15.298   4.516  1.00 39.26           N
+ATOM   2301  CA  GLY C  15     -25.631  16.086   4.525  1.00 27.60           C
+ATOM   2302  C   GLY C  15     -26.650  15.043   4.748  1.00 35.88           C
+ATOM   2303  O   GLY C  15     -27.292  14.929   6.180  1.00 44.35           O
+ATOM   2304  N   LYS C  16     -26.927  14.192   4.125  1.00 34.61           N
+ATOM   2305  CA  LYS C  16     -27.870  13.141   3.632  1.00 36.98           C
+ATOM   2306  C   LYS C  16     -27.538  12.020   5.023  1.00 26.09           C
+ATOM   2307  O   LYS C  16     -28.345  11.313   5.635  1.00 33.01           O
+ATOM   2308  CB  LYS C  16     -28.251  12.406   2.440  1.00 27.30           C
+ATOM   2309  CG  LYS C  16     -30.036  12.836   1.831  1.00 50.84           C
+ATOM   2310  CD  LYS C  16     -30.158  11.081   2.262  1.00 68.28           C
+ATOM   2311  CE  LYS C  16     -32.371  10.866   2.370  1.00 73.16           C
+ATOM   2312  NZ  LYS C  16     -32.038   9.453   3.272  1.00 69.52           N
+ATOM   2313  N   VAL C  17     -26.252  12.133   5.573  1.00 35.88           N
+ATOM   2314  CA  VAL C  17     -25.770  11.297   6.645  1.00 27.62           C
+ATOM   2315  C   VAL C  17     -26.612  11.695   7.685  1.00 30.67           C
+ATOM   2316  O   VAL C  17     -27.281  11.042   8.701  1.00 29.27           O
+ATOM   2317  CB  VAL C  17     -24.169  10.853   6.795  1.00 24.84           C
+ATOM   2318  CG1 VAL C  17     -23.946  10.589   8.064  1.00 24.66           C
+ATOM   2319  CG2 VAL C  17     -23.794   9.916   5.483  1.00 36.95           C
+ATOM   2320  N   GLY C  18     -26.104  13.085   7.958  1.00 37.42           N
+ATOM   2321  CA  GLY C  18     -26.962  13.614   9.161  1.00 36.79           C
+ATOM   2322  C   GLY C  18     -26.609  13.344  10.447  1.00 35.54           C
+ATOM   2323  O   GLY C  18     -25.379  12.833  10.941  1.00 34.05           O
+ATOM   2324  N   ALA C  19     -27.875  13.044  10.943  1.00 30.07           N
+ATOM   2325  CA  ALA C  19     -27.686  12.652  12.207  1.00 42.34           C
+ATOM   2326  C   ALA C  19     -27.441  11.246  12.497  1.00 38.75           C
+ATOM   2327  O   ALA C  19     -27.016  10.579  13.697  1.00 34.11           O
+ATOM   2328  CB  ALA C  19     -28.889  12.929  12.875  1.00 49.98           C
+ATOM   2329  N   HIS C  20     -27.337  10.243  11.555  1.00 27.23           N
+ATOM   2330  CA  HIS C  20     -26.912   8.767  11.705  1.00 31.96           C
+ATOM   2331  C   HIS C  20     -25.296   8.716  11.689  1.00 24.34           C
+ATOM   2332  O   HIS C  20     -24.833   7.499  11.716  1.00 23.07           O
+ATOM   2333  CB  HIS C  20     -27.281   8.149  10.528  1.00 47.99           C
+ATOM   2334  CG  HIS C  20     -28.926   8.104  10.076  1.00 49.70           C
+ATOM   2335  ND1 HIS C  20     -29.432   7.280  11.405  1.00 46.00           N
+ATOM   2336  CD2 HIS C  20     -29.730   9.020   9.630  1.00 46.72           C
+ATOM   2337  CE1 HIS C  20     -31.098   7.852  11.111  1.00 49.28           C
+ATOM   2338  NE2 HIS C  20     -30.830   8.671   9.800  1.00 51.94           N
+ATOM   2339  N   ALA C  21     -24.619   9.813  11.399  1.00 28.71           N
+ATOM   2340  CA  ALA C  21     -23.098   9.802  11.331  1.00 32.59           C
+ATOM   2341  C   ALA C  21     -22.391   9.015  12.473  1.00 33.22           C
+ATOM   2342  O   ALA C  21     -21.700   8.030  11.964  1.00 25.05           O
+ATOM   2343  CB  ALA C  21     -22.805  11.312  11.238  1.00 28.99           C
+ATOM   2344  N   GLY C  22     -22.670   8.973  13.605  1.00 30.50           N
+ATOM   2345  CA  GLY C  22     -22.269   8.117  14.625  1.00 25.20           C
+ATOM   2346  C   GLY C  22     -22.605   6.970  14.498  1.00 28.87           C
+ATOM   2347  O   GLY C  22     -21.738   5.901  14.583  1.00 21.09           O
+ATOM   2348  N   GLU C  23     -23.752   6.203  14.168  1.00 19.95           N
+ATOM   2349  CA  GLU C  23     -24.151   4.976  13.969  1.00 21.38           C
+ATOM   2350  C   GLU C  23     -23.181   4.329  12.723  1.00 15.02           C
+ATOM   2351  O   GLU C  23     -22.815   3.097  12.742  1.00 16.54           O
+ATOM   2352  CB  GLU C  23     -25.689   4.819  13.452  1.00 29.82           C
+ATOM   2353  CG  GLU C  23     -26.106   3.452  13.736  1.00 36.93           C
+ATOM   2354  CD  GLU C  23     -28.202   3.924  13.602  1.00 80.12           C
+ATOM   2355  OE1 GLU C  23     -27.795   2.922  11.489  1.00 66.02           O
+ATOM   2356  OE2 GLU C  23     -27.964   4.694  13.267  1.00 59.79           O
+ATOM   2357  N   TYR C  24     -23.207   5.173  11.697  1.00 21.28           N
+ATOM   2358  CA  TYR C  24     -22.418   4.812  10.585  1.00 19.46           C
+ATOM   2359  C   TYR C  24     -20.849   4.466  10.860  1.00 15.33           C
+ATOM   2360  O   TYR C  24     -20.148   3.754  10.360  1.00 13.77           O
+ATOM   2361  CB  TYR C  24     -22.651   5.606   9.406  1.00 16.14           C
+ATOM   2362  CG  TYR C  24     -24.080   5.727   8.793  1.00 13.71           C
+ATOM   2363  CD1 TYR C  24     -24.170   6.732   7.640  1.00 24.76           C
+ATOM   2364  CD2 TYR C  24     -25.002   4.824   9.337  1.00 21.84           C
+ATOM   2365  CE1 TYR C  24     -25.645   6.832   7.377  1.00 25.66           C
+ATOM   2366  CE2 TYR C  24     -26.453   4.934   8.784  1.00 17.49           C
+ATOM   2367  CZ  TYR C  24     -26.325   5.877   7.791  1.00 27.32           C
+ATOM   2368  OH  TYR C  24     -27.810   6.069   7.401  1.00 31.23           O
+ATOM   2369  N   GLY C  25     -20.290   5.421  11.638  1.00 18.29           N
+ATOM   2370  CA  GLY C  25     -19.027   5.388  12.069  1.00 15.33           C
+ATOM   2371  C   GLY C  25     -18.807   4.272  12.918  1.00 12.64           C
+ATOM   2372  O   GLY C  25     -17.733   3.304  12.661  1.00 15.23           O
+ATOM   2373  N   ALA C  26     -19.542   3.599  13.820  1.00 16.00           N
+ATOM   2374  CA  ALA C  26     -19.471   2.386  14.471  1.00 11.42           C
+ATOM   2375  C   ALA C  26     -19.307   1.193  13.564  1.00 10.94           C
+ATOM   2376  O   ALA C  26     -18.739   0.230  13.578  1.00 13.65           O
+ATOM   2377  CB  ALA C  26     -20.512   2.232  15.656  1.00 11.99           C
+ATOM   2378  N   GLU C  27     -20.425   1.260  12.521  1.00 12.87           N
+ATOM   2379  CA  GLU C  27     -20.638   0.028  11.636  1.00 15.51           C
+ATOM   2380  C   GLU C  27     -19.412   0.022  10.785  1.00 12.84           C
+ATOM   2381  O   GLU C  27     -18.849  -1.119  10.534  1.00 15.95           O
+ATOM   2382  CB  GLU C  27     -21.715   0.427  10.623  1.00 15.50           C
+ATOM   2383  CG  GLU C  27     -21.926  -0.710   9.772  1.00 17.08           C
+ATOM   2384  CD  GLU C  27     -23.164  -0.586   8.872  1.00 30.48           C
+ATOM   2385  OE1 GLU C  27     -23.095  -0.770   7.588  1.00 18.71           O
+ATOM   2386  OE2 GLU C  27     -24.194   0.119   9.312  1.00 24.16           O
+ATOM   2387  N   ALA C  28     -18.789   1.258  10.332  1.00 11.36           N
+ATOM   2388  CA  ALA C  28     -17.460   1.158   9.500  1.00  9.58           C
+ATOM   2389  C   ALA C  28     -16.340   0.418  10.332  1.00  9.29           C
+ATOM   2390  O   ALA C  28     -15.677  -0.370   9.760  1.00 12.64           O
+ATOM   2391  CB  ALA C  28     -17.171   2.523   9.159  1.00 13.35           C
+ATOM   2392  N   LEU C  29     -16.325   0.834  11.666  1.00 12.01           N
+ATOM   2393  CA  LEU C  29     -15.240   0.036  12.460  1.00  9.42           C
+ATOM   2394  C   LEU C  29     -15.351  -1.296  12.531  1.00  8.04           C
+ATOM   2395  O   LEU C  29     -14.557  -2.221  12.462  1.00 11.27           O
+ATOM   2396  CB  LEU C  29     -15.253   0.792  13.944  1.00 13.39           C
+ATOM   2397  CG  LEU C  29     -14.671   2.120  14.000  1.00 14.28           C
+ATOM   2398  CD1 LEU C  29     -15.060   2.641  15.229  1.00 21.17           C
+ATOM   2399  CD2 LEU C  29     -13.328   2.186  13.586  1.00 17.52           C
+ATOM   2400  N   GLU C  30     -16.582  -1.891  12.768  1.00 12.13           N
+ATOM   2401  CA  GLU C  30     -17.039  -3.158  12.830  1.00 15.15           C
+ATOM   2402  C   GLU C  30     -16.575  -3.834  11.597  1.00 15.74           C
+ATOM   2403  O   GLU C  30     -16.144  -4.973  11.643  1.00 15.15           O
+ATOM   2404  CB  GLU C  30     -18.512  -3.390  13.241  1.00 16.95           C
+ATOM   2405  CG  GLU C  30     -18.749  -4.796  13.397  1.00 22.01           C
+ATOM   2406  CD  GLU C  30     -20.492  -5.310  14.125  1.00 33.25           C
+ATOM   2407  OE1 GLU C  30     -20.859  -4.170  14.215  1.00 33.78           O
+ATOM   2408  OE2 GLU C  30     -20.298  -6.063  14.309  1.00 40.59           O
+ATOM   2409  N   ARG C  31     -17.016  -3.172  10.500  1.00  9.68           N
+ATOM   2410  CA  ARG C  31     -16.706  -3.791   9.173  1.00  8.70           C
+ATOM   2411  C   ARG C  31     -15.092  -4.029   9.070  1.00 13.62           C
+ATOM   2412  O   ARG C  31     -14.706  -5.080   8.618  1.00 13.67           O
+ATOM   2413  CB  ARG C  31     -17.211  -2.898   8.144  1.00 12.42           C
+ATOM   2414  CG  ARG C  31     -18.743  -3.121   7.942  1.00 11.84           C
+ATOM   2415  CD  ARG C  31     -19.136  -2.201   6.911  1.00 15.20           C
+ATOM   2416  NE  ARG C  31     -20.701  -2.256   6.631  1.00 14.19           N
+ATOM   2417  CZ  ARG C  31     -21.363  -3.224   5.977  1.00 11.42           C
+ATOM   2418  NH1 ARG C  31     -20.645  -4.259   5.462  1.00 11.92           N
+ATOM   2419  NH2 ARG C  31     -22.607  -3.167   6.110  1.00 15.15           N
+ATOM   2420  N   MET C  32     -14.391  -2.999   9.390  1.00 10.57           N
+ATOM   2421  CA  MET C  32     -12.880  -2.985   9.431  1.00  8.16           C
+ATOM   2422  C   MET C  32     -12.304  -4.106  10.303  1.00  7.80           C
+ATOM   2423  O   MET C  32     -11.482  -4.880   9.804  1.00 11.64           O
+ATOM   2424  CB  MET C  32     -12.387  -1.587   9.793  1.00  8.09           C
+ATOM   2425  CG  MET C  32     -10.949  -1.623   9.744  1.00 11.10           C
+ATOM   2426  SD  MET C  32     -10.226  -0.081  10.328  1.00 18.02           S
+ATOM   2427  CE  MET C  32     -10.638  -0.209  12.043  1.00 20.04           C
+ATOM   2428  N   PHE C  33     -12.802  -4.206  11.603  1.00 13.50           N
+ATOM   2429  CA  PHE C  33     -12.271  -5.320  12.432  1.00 12.85           C
+ATOM   2430  C   PHE C  33     -12.547  -6.578  11.951  1.00 15.05           C
+ATOM   2431  O   PHE C  33     -11.717  -7.551  12.143  1.00 13.38           O
+ATOM   2432  CB  PHE C  33     -12.756  -5.046  13.817  1.00 12.45           C
+ATOM   2433  CG  PHE C  33     -12.568  -3.710  14.467  1.00 10.81           C
+ATOM   2434  CD1 PHE C  33     -11.266  -3.320  14.428  1.00 14.60           C
+ATOM   2435  CD2 PHE C  33     -13.526  -3.151  15.305  1.00 15.15           C
+ATOM   2436  CE1 PHE C  33     -10.894  -2.155  15.062  1.00 15.80           C
+ATOM   2437  CE2 PHE C  33     -13.010  -1.947  15.768  1.00 13.43           C
+ATOM   2438  CZ  PHE C  33     -11.786  -1.494  15.661  1.00 22.23           C
+ATOM   2439  N   LEU C  34     -13.672  -6.909  11.292  1.00 11.85           N
+ATOM   2440  CA  LEU C  34     -14.025  -8.262  10.744  1.00 12.31           C
+ATOM   2441  C   LEU C  34     -13.308  -8.546   9.433  1.00 15.72           C
+ATOM   2442  O   LEU C  34     -12.814  -9.634   9.197  1.00 19.67           O
+ATOM   2443  CB  LEU C  34     -15.490  -8.519  10.506  1.00 16.89           C
+ATOM   2444  CG  LEU C  34     -16.308  -8.523  11.809  1.00 26.21           C
+ATOM   2445  CD1 LEU C  34     -17.801  -8.703  11.585  1.00 26.59           C
+ATOM   2446  CD2 LEU C  34     -15.886  -9.544  12.837  1.00 38.34           C
+ATOM   2447  N   SER C  35     -13.287  -7.520   8.527  1.00 12.82           N
+ATOM   2448  CA  SER C  35     -12.594  -7.794   7.329  1.00 10.93           C
+ATOM   2449  C   SER C  35     -11.162  -7.828   7.166  1.00 14.27           C
+ATOM   2450  O   SER C  35     -10.505  -8.327   6.376  1.00 16.71           O
+ATOM   2451  CB  SER C  35     -13.015  -6.732   6.237  1.00 13.98           C
+ATOM   2452  OG  SER C  35     -14.406  -6.851   5.967  1.00 18.75           O
+ATOM   2453  N   PHE C  36     -10.441  -6.974   8.104  1.00 11.09           N
+ATOM   2454  CA  PHE C  36      -9.024  -6.696   8.153  1.00 10.70           C
+ATOM   2455  C   PHE C  36      -8.606  -6.742   9.707  1.00 13.97           C
+ATOM   2456  O   PHE C  36      -8.344  -5.778  10.402  1.00 16.32           O
+ATOM   2457  CB  PHE C  36      -8.759  -5.327   7.682  1.00 12.71           C
+ATOM   2458  CG  PHE C  36      -9.244  -5.034   6.227  1.00 14.13           C
+ATOM   2459  CD1 PHE C  36     -10.405  -4.227   6.071  1.00 14.98           C
+ATOM   2460  CD2 PHE C  36      -8.716  -5.826   5.029  1.00 21.47           C
+ATOM   2461  CE1 PHE C  36     -10.962  -3.950   4.805  1.00 23.41           C
+ATOM   2462  CE2 PHE C  36      -9.304  -5.498   3.966  1.00 24.62           C
+ATOM   2463  CZ  PHE C  36     -10.428  -4.612   3.839  1.00 15.55           C
+ATOM   2464  N   PRO C  37      -8.487  -8.050   9.947  1.00 18.65           N
+ATOM   2465  CA  PRO C  37      -8.320  -8.334  11.359  1.00 17.35           C
+ATOM   2466  C   PRO C  37      -6.962  -7.708  12.012  1.00 18.35           C
+ATOM   2467  O   PRO C  37      -6.854  -7.465  13.248  1.00 14.04           O
+ATOM   2468  CB  PRO C  37      -8.349  -9.870  11.562  1.00 27.87           C
+ATOM   2469  CG  PRO C  37      -8.429 -10.372  10.373  1.00 37.42           C
+ATOM   2470  CD  PRO C  37      -8.767  -9.192   9.450  1.00 22.48           C
+ATOM   2471  N   THR C  38      -6.066  -7.410  11.173  1.00 12.63           N
+ATOM   2472  CA  THR C  38      -4.834  -6.636  11.753  1.00 17.25           C
+ATOM   2473  C   THR C  38      -5.049  -5.478  12.414  1.00 15.32           C
+ATOM   2474  O   THR C  38      -4.264  -5.001  13.219  1.00 11.09           O
+ATOM   2475  CB  THR C  38      -3.639  -7.011  10.452  1.00 12.40           C
+ATOM   2476  OG1 THR C  38      -4.178  -5.757   9.596  1.00 15.33           O
+ATOM   2477  CG2 THR C  38      -4.507  -7.126   9.385  1.00 80.12           C
+ATOM   2478  N   THR C  39      -6.072  -4.797  11.866  1.00 10.35           N
+ATOM   2479  CA  THR C  39      -6.458  -3.530  12.499  1.00 11.60           C
+ATOM   2480  C   THR C  39      -6.867  -3.675  13.987  1.00 11.25           C
+ATOM   2481  O   THR C  39      -6.719  -2.683  14.751  1.00 15.31           O
+ATOM   2482  CB  THR C  39      -7.618  -2.839  11.782  1.00 10.41           C
+ATOM   2483  OG1 THR C  39      -8.902  -3.535  11.780  1.00  8.43           O
+ATOM   2484  CG2 THR C  39      -7.110  -2.694  10.278  1.00  7.27           C
+ATOM   2485  N   LYS C  40      -7.142  -4.800  14.416  1.00 12.10           N
+ATOM   2486  CA  LYS C  40      -7.571  -4.948  15.946  1.00 12.37           C
+ATOM   2487  C   LYS C  40      -6.340  -4.815  16.822  1.00 12.69           C
+ATOM   2488  O   LYS C  40      -6.554  -4.646  17.995  1.00 13.50           O
+ATOM   2489  CB  LYS C  40      -8.135  -6.441  16.142  1.00 13.01           C
+ATOM   2490  CG  LYS C  40      -9.508  -6.644  15.446  1.00 16.35           C
+ATOM   2491  CD  LYS C  40      -9.585  -8.284  15.551  1.00 21.60           C
+ATOM   2492  CE  LYS C  40     -10.395  -8.518  15.432  1.00 41.58           C
+ATOM   2493  NZ  LYS C  40     -10.104 -10.161  15.709  1.00 24.62           N
+ATOM   2494  N   THR C  41      -5.213  -4.883  16.231  1.00 15.39           N
+ATOM   2495  CA  THR C  41      -3.858  -4.878  17.048  1.00 15.24           C
+ATOM   2496  C   THR C  41      -3.895  -3.538  17.513  1.00 24.53           C
+ATOM   2497  O   THR C  41      -3.052  -3.276  18.625  1.00 20.94           O
+ATOM   2498  CB  THR C  41      -2.611  -5.058  16.204  1.00 10.27           C
+ATOM   2499  OG1 THR C  41      -2.473  -4.084  15.265  1.00 10.56           O
+ATOM   2500  CG2 THR C  41      -2.649  -6.370  15.637  1.00 13.16           C
+ATOM   2501  N   TYR C  42      -4.559  -2.347  17.313  1.00 15.74           N
+ATOM   2502  CA  TYR C  42      -4.420  -1.045  17.757  1.00 10.60           C
+ATOM   2503  C   TYR C  42      -5.479  -0.829  18.921  1.00 12.75           C
+ATOM   2504  O   TYR C  42      -5.553   0.201  19.530  1.00 15.68           O
+ATOM   2505  CB  TYR C  42      -4.800   0.068  16.774  1.00 16.68           C
+ATOM   2506  CG  TYR C  42      -3.607  -0.087  15.746  1.00 10.99           C
+ATOM   2507  CD1 TYR C  42      -2.328   0.661  16.011  1.00 17.16           C
+ATOM   2508  CD2 TYR C  42      -3.699  -0.743  14.478  1.00 12.51           C
+ATOM   2509  CE1 TYR C  42      -1.337   0.521  15.154  1.00 15.83           C
+ATOM   2510  CE2 TYR C  42      -2.696  -0.758  13.617  1.00 12.91           C
+ATOM   2511  CZ  TYR C  42      -1.386  -0.114  13.943  1.00 12.97           C
+ATOM   2512  OH  TYR C  42      -0.401  -0.078  12.976  1.00 13.25           O
+ATOM   2513  N   PHE C  43      -6.271  -1.850  19.113  1.00 15.49           N
+ATOM   2514  CA  PHE C  43      -7.459  -1.760  20.167  1.00 17.75           C
+ATOM   2515  C   PHE C  43      -7.514  -3.016  21.053  1.00 20.04           C
+ATOM   2516  O   PHE C  43      -8.605  -3.535  21.334  1.00 17.05           O
+ATOM   2517  CB  PHE C  43      -8.817  -1.519  19.333  1.00 26.70           C
+ATOM   2518  CG  PHE C  43      -8.906  -0.392  18.437  1.00 14.42           C
+ATOM   2519  CD1 PHE C  43      -8.473  -0.554  17.054  1.00 15.73           C
+ATOM   2520  CD2 PHE C  43      -9.700   0.777  18.998  1.00 15.90           C
+ATOM   2521  CE1 PHE C  43      -8.663   0.579  16.317  1.00 16.99           C
+ATOM   2522  CE2 PHE C  43      -9.585   1.781  18.059  1.00 19.76           C
+ATOM   2523  CZ  PHE C  43      -9.193   1.883  16.726  1.00 10.96           C
+ATOM   2524  N   PRO C  44      -6.303  -3.266  21.758  1.00 17.51           N
+ATOM   2525  CA  PRO C  44      -6.430  -4.575  22.577  1.00 22.01           C
+ATOM   2526  C   PRO C  44      -7.021  -4.034  23.952  1.00 23.34           C
+ATOM   2527  O   PRO C  44      -7.479  -5.004  24.549  1.00 23.67           O
+ATOM   2528  CB  PRO C  44      -4.725  -4.600  22.823  1.00 28.76           C
+ATOM   2529  CG  PRO C  44      -4.302  -3.265  22.722  1.00 30.00           C
+ATOM   2530  CD  PRO C  44      -5.000  -2.496  21.564  1.00 18.17           C
+ATOM   2531  N   HIS C  45      -7.313  -2.986  24.170  1.00 23.82           N
+ATOM   2532  CA  HIS C  45      -8.129  -2.454  25.363  1.00 24.33           C
+ATOM   2533  C   HIS C  45      -9.774  -2.425  25.223  1.00 36.67           C
+ATOM   2534  O   HIS C  45     -10.201  -1.856  26.159  1.00 32.61           O
+ATOM   2535  CB  HIS C  45      -7.724  -1.122  25.714  1.00 29.73           C
+ATOM   2536  CG  HIS C  45      -7.512   0.207  24.830  1.00 29.43           C
+ATOM   2537  ND1 HIS C  45      -6.904  -0.240  23.536  1.00 26.84           N
+ATOM   2538  CD2 HIS C  45      -8.212   1.313  24.765  1.00 33.54           C
+ATOM   2539  CE1 HIS C  45      -7.241   0.770  23.119  1.00 37.75           C
+ATOM   2540  NE2 HIS C  45      -7.901   1.880  23.651  1.00 39.11           N
+ATOM   2541  N   PHE C  46     -10.097  -2.588  23.981  1.00 19.71           N
+ATOM   2542  CA  PHE C  46     -11.427  -2.447  23.784  1.00 16.71           C
+ATOM   2543  C   PHE C  46     -11.984  -3.704  23.878  1.00 21.27           C
+ATOM   2544  O   PHE C  46     -11.601  -4.890  23.408  1.00 23.84           O
+ATOM   2545  CB  PHE C  46     -11.721  -1.909  22.223  1.00 21.57           C
+ATOM   2546  CG  PHE C  46     -11.812  -0.571  22.355  1.00 17.89           C
+ATOM   2547  CD1 PHE C  46     -12.584   0.134  21.407  1.00 29.22           C
+ATOM   2548  CD2 PHE C  46     -11.092   0.466  22.932  1.00 29.35           C
+ATOM   2549  CE1 PHE C  46     -12.539   1.579  21.231  1.00 23.51           C
+ATOM   2550  CE2 PHE C  46     -11.283   1.342  22.737  1.00 34.19           C
+ATOM   2551  CZ  PHE C  46     -11.794   2.381  21.680  1.00 30.38           C
+ATOM   2552  N   ASP C  47     -13.484  -3.924  24.123  1.00 21.22           N
+ATOM   2553  CA  ASP C  47     -14.200  -5.093  23.710  1.00 21.17           C
+ATOM   2554  C   ASP C  47     -14.972  -4.945  22.231  1.00 15.44           C
+ATOM   2555  O   ASP C  47     -15.394  -3.747  22.085  1.00 19.22           O
+ATOM   2556  CB  ASP C  47     -15.564  -4.912  24.743  1.00 26.87           C
+ATOM   2557  CG  ASP C  47     -16.291  -6.456  24.524  1.00 44.60           C
+ATOM   2558  OD1 ASP C  47     -16.314  -6.539  23.491  1.00 38.14           O
+ATOM   2559  OD2 ASP C  47     -17.247  -6.397  25.386  1.00 35.16           O
+ATOM   2560  N   LEU C  48     -14.283  -5.744  21.445  1.00 20.23           N
+ATOM   2561  CA  LEU C  48     -14.738  -5.455  19.945  1.00 22.13           C
+ATOM   2562  C   LEU C  48     -15.716  -6.250  19.550  1.00 26.79           C
+ATOM   2563  O   LEU C  48     -16.269  -6.380  18.272  1.00 28.79           O
+ATOM   2564  CB  LEU C  48     -13.468  -5.863  19.207  1.00 20.10           C
+ATOM   2565  CG  LEU C  48     -12.283  -5.143  19.138  1.00 22.13           C
+ATOM   2566  CD1 LEU C  48     -10.976  -5.443  18.455  1.00 30.66           C
+ATOM   2567  CD2 LEU C  48     -12.440  -3.412  19.024  1.00 21.27           C
+ATOM   2568  N   SER C  49     -16.750  -6.795  20.348  1.00 29.67           N
+ATOM   2569  CA  SER C  49     -17.996  -7.682  20.348  1.00 26.45           C
+ATOM   2570  C   SER C  49     -18.688  -6.784  19.661  1.00 19.97           C
+ATOM   2571  O   SER C  49     -18.950  -5.536  19.662  1.00 20.96           O
+ATOM   2572  CB  SER C  49     -18.391  -8.577  21.574  1.00 26.72           C
+ATOM   2573  OG  SER C  49     -18.238  -7.994  22.499  1.00 34.29           O
+ATOM   2574  N   HIS C  50     -19.776  -7.581  18.833  1.00 28.23           N
+ATOM   2575  CA  HIS C  50     -20.784  -6.859  18.155  1.00 26.06           C
+ATOM   2576  C   HIS C  50     -21.742  -6.003  19.283  1.00 24.81           C
+ATOM   2577  O   HIS C  50     -21.976  -6.730  20.143  1.00 27.33           O
+ATOM   2578  CB  HIS C  50     -21.772  -7.860  17.171  1.00 33.58           C
+ATOM   2579  CG  HIS C  50     -22.495  -6.997  16.501  1.00 21.75           C
+ATOM   2580  ND1 HIS C  50     -24.098  -7.224  16.903  1.00 37.61           N
+ATOM   2581  CD2 HIS C  50     -22.721  -6.030  15.749  1.00 24.11           C
+ATOM   2582  CE1 HIS C  50     -24.713  -6.289  16.301  1.00 35.12           C
+ATOM   2583  NE2 HIS C  50     -23.972  -5.305  15.362  1.00 42.35           N
+ATOM   2584  N   GLY C  51     -21.911  -4.827  19.019  1.00 24.42           N
+ATOM   2585  CA  GLY C  51     -22.633  -4.098  19.831  1.00 26.56           C
+ATOM   2586  C   GLY C  51     -22.082  -3.387  20.930  1.00 23.39           C
+ATOM   2587  O   GLY C  51     -22.536  -2.501  21.731  1.00 25.53           O
+ATOM   2588  N   SER C  52     -20.724  -3.498  20.885  1.00 22.06           N
+ATOM   2589  CA  SER C  52     -19.739  -2.846  21.982  1.00 25.03           C
+ATOM   2590  C   SER C  52     -19.903  -1.593  22.193  1.00 31.37           C
+ATOM   2591  O   SER C  52     -19.945  -0.663  21.200  1.00 22.94           O
+ATOM   2592  CB  SER C  52     -18.376  -3.162  21.704  1.00 30.26           C
+ATOM   2593  OG  SER C  52     -17.567  -2.497  22.631  1.00 21.66           O
+ATOM   2594  N   ALA C  53     -20.311  -0.885  23.302  1.00 22.15           N
+ATOM   2595  CA  ALA C  53     -20.223   0.561  23.639  1.00 29.32           C
+ATOM   2596  C   ALA C  53     -19.008   1.341  23.195  1.00 23.50           C
+ATOM   2597  O   ALA C  53     -19.144   2.489  22.964  1.00 19.56           O
+ATOM   2598  CB  ALA C  53     -21.016   0.770  24.778  1.00 46.37           C
+ATOM   2599  N   GLN C  54     -18.075   0.456  23.565  1.00 20.69           N
+ATOM   2600  CA  GLN C  54     -16.671   1.124  23.388  1.00 22.13           C
+ATOM   2601  C   GLN C  54     -16.498   1.625  21.724  1.00 21.00           C
+ATOM   2602  O   GLN C  54     -15.986   2.677  21.452  1.00 19.66           O
+ATOM   2603  CB  GLN C  54     -15.533   0.388  23.780  1.00 23.01           C
+ATOM   2604  CG  GLN C  54     -15.387   0.264  25.146  1.00 26.98           C
+ATOM   2605  CD  GLN C  54     -14.244  -0.704  25.751  1.00 17.64           C
+ATOM   2606  OE1 GLN C  54     -14.213  -1.867  25.317  1.00 23.97           O
+ATOM   2607  NE2 GLN C  54     -13.269  -0.029  26.343  1.00 35.16           N
+ATOM   2608  N   VAL C  55     -16.998   0.495  20.976  1.00 18.58           N
+ATOM   2609  CA  VAL C  55     -16.782   0.728  19.397  1.00 18.23           C
+ATOM   2610  C   VAL C  55     -17.788   1.835  19.121  1.00 15.73           C
+ATOM   2611  O   VAL C  55     -17.557   2.638  18.250  1.00 16.15           O
+ATOM   2612  CB  VAL C  55     -17.023  -0.655  18.769  1.00 16.13           C
+ATOM   2613  CG1 VAL C  55     -17.141  -0.282  17.289  1.00 22.56           C
+ATOM   2614  CG2 VAL C  55     -15.953  -1.526  19.088  1.00 16.34           C
+ATOM   2615  N   LYS C  56     -19.064   1.844  19.638  1.00 17.00           N
+ATOM   2616  CA  LYS C  56     -20.011   2.798  19.335  1.00 18.57           C
+ATOM   2617  C   LYS C  56     -19.657   4.015  19.595  1.00 20.36           C
+ATOM   2618  O   LYS C  56     -19.638   5.117  18.950  1.00 20.10           O
+ATOM   2619  CB  LYS C  56     -21.306   2.565  20.099  1.00 27.04           C
+ATOM   2620  CG  LYS C  56     -22.017   1.239  19.517  1.00 42.35           C
+ATOM   2621  CD  LYS C  56     -23.983   2.334  19.796  1.00 43.36           C
+ATOM   2622  CE  LYS C  56     -24.238  -0.016  19.420  1.00 48.38           C
+ATOM   2623  NZ  LYS C  56     -25.547   0.420  20.454  1.00 67.70           N
+ATOM   2624  N   GLY C  57     -18.873   4.239  20.758  1.00 16.00           N
+ATOM   2625  CA  GLY C  57     -18.397   5.432  21.231  1.00 21.54           C
+ATOM   2626  C   GLY C  57     -17.299   6.086  20.387  1.00 18.61           C
+ATOM   2627  O   GLY C  57     -17.174   7.416  20.069  1.00 24.59           O
+ATOM   2628  N   HIS C  58     -16.421   5.133  20.063  1.00 15.81           N
+ATOM   2629  CA  HIS C  58     -15.259   5.492  19.163  1.00 16.10           C
+ATOM   2630  C   HIS C  58     -15.968   5.977  17.705  1.00 21.16           C
+ATOM   2631  O   HIS C  58     -15.334   6.873  17.165  1.00 17.74           O
+ATOM   2632  CB  HIS C  58     -14.298   4.450  19.037  1.00 15.43           C
+ATOM   2633  CG  HIS C  58     -13.084   4.816  18.336  1.00 18.98           C
+ATOM   2634  ND1 HIS C  58     -12.377   5.886  18.887  1.00 21.14           N
+ATOM   2635  CD2 HIS C  58     -12.537   4.339  17.359  1.00 16.95           C
+ATOM   2636  CE1 HIS C  58     -11.397   5.896  17.811  1.00 21.77           C
+ATOM   2637  NE2 HIS C  58     -11.418   4.951  16.789  1.00 17.45           N
+ATOM   2638  N   GLY C  59     -16.820   5.155  17.321  1.00 20.04           N
+ATOM   2639  CA  GLY C  59     -17.341   5.505  16.148  1.00 24.32           C
+ATOM   2640  C   GLY C  59     -18.005   6.810  15.949  1.00 16.44           C
+ATOM   2641  O   GLY C  59     -17.768   7.655  14.926  1.00 16.63           O
+ATOM   2642  N   LYS C  60     -18.641   7.304  17.045  1.00 14.40           N
+ATOM   2643  CA  LYS C  60     -19.047   8.674  17.195  1.00 14.87           C
+ATOM   2644  C   LYS C  60     -18.066   9.704  17.103  1.00 17.20           C
+ATOM   2645  O   LYS C  60     -18.083  10.725  16.452  1.00 19.10           O
+ATOM   2646  CB  LYS C  60     -20.090   8.722  18.417  1.00 20.14           C
+ATOM   2647  CG  LYS C  60     -20.474  10.102  18.286  1.00 36.22           C
+ATOM   2648  CD  LYS C  60     -21.736  10.498  19.120  1.00 67.45           C
+ATOM   2649  CE  LYS C  60     -22.281  11.583  18.549  1.00 61.41           C
+ATOM   2650  NZ  LYS C  60     -21.104  12.754  19.691  1.00 67.02           N
+ATOM   2651  N   LYS C  61     -16.927   9.423  17.774  1.00 17.79           N
+ATOM   2652  CA  LYS C  61     -15.858  10.357  17.767  1.00 21.13           C
+ATOM   2653  C   LYS C  61     -15.164  10.595  16.162  1.00 16.24           C
+ATOM   2654  O   LYS C  61     -14.881  11.695  15.808  1.00 15.80           O
+ATOM   2655  CB  LYS C  61     -14.696   9.830  18.603  1.00 23.05           C
+ATOM   2656  CG  LYS C  61     -15.062  10.074  19.860  1.00 29.48           C
+ATOM   2657  CD  LYS C  61     -14.168   9.693  20.841  1.00 35.76           C
+ATOM   2658  CE  LYS C  61     -14.859  10.184  22.437  1.00 58.26           C
+ATOM   2659  NZ  LYS C  61     -13.290   9.055  22.853  1.00 59.87           N
+ATOM   2660  N   VAL C  62     -15.053   9.278  15.522  1.00 15.31           N
+ATOM   2661  CA  VAL C  62     -14.623   9.355  14.153  1.00 17.56           C
+ATOM   2662  C   VAL C  62     -15.371  10.194  13.113  1.00 16.25           C
+ATOM   2663  O   VAL C  62     -15.014  11.087  12.455  1.00 13.61           O
+ATOM   2664  CB  VAL C  62     -14.380   7.809  13.720  1.00 18.84           C
+ATOM   2665  CG1 VAL C  62     -14.183   7.763  12.290  1.00 17.19           C
+ATOM   2666  CG2 VAL C  62     -13.252   7.305  14.521  1.00 18.33           C
+ATOM   2667  N   ALA C  63     -16.701   9.866  13.495  1.00 13.67           N
+ATOM   2668  CA  ALA C  63     -17.818  10.501  12.645  1.00 21.56           C
+ATOM   2669  C   ALA C  63     -17.715  11.855  12.728  1.00 19.04           C
+ATOM   2670  O   ALA C  63     -17.832  12.775  11.974  1.00 17.01           O
+ATOM   2671  CB  ALA C  63     -19.206   9.890  12.827  1.00 17.02           C
+ATOM   2672  N   ASP C  64     -17.653  12.417  13.991  1.00 16.51           N
+ATOM   2673  CA  ASP C  64     -17.709  13.830  14.243  1.00 19.49           C
+ATOM   2674  C   ASP C  64     -16.540  14.535  13.748  1.00 14.91           C
+ATOM   2675  O   ASP C  64     -16.584  15.604  13.224  1.00 19.95           O
+ATOM   2676  CB  ASP C  64     -17.991  14.096  15.799  1.00 24.76           C
+ATOM   2677  CG  ASP C  64     -19.393  13.818  16.643  1.00 34.25           C
+ATOM   2678  OD1 ASP C  64     -20.152  13.414  15.899  1.00 28.85           O
+ATOM   2679  OD2 ASP C  64     -19.056  13.688  17.650  1.00 27.13           O
+ATOM   2680  N   ALA C  65     -15.369  13.857  13.860  1.00 16.65           N
+ATOM   2681  CA  ALA C  65     -14.163  14.481  13.291  1.00 16.32           C
+ATOM   2682  C   ALA C  65     -14.252  14.735  11.694  1.00 13.95           C
+ATOM   2683  O   ALA C  65     -13.994  15.689  11.048  1.00 16.33           O
+ATOM   2684  CB  ALA C  65     -13.017  13.593  13.359  1.00 16.15           C
+ATOM   2685  N   LEU C  66     -15.064  13.712  10.969  1.00 17.13           N
+ATOM   2686  CA  LEU C  66     -15.337  13.726   9.525  1.00 13.55           C
+ATOM   2687  C   LEU C  66     -16.272  14.810   9.233  1.00 14.32           C
+ATOM   2688  O   LEU C  66     -16.159  15.647   8.296  1.00 15.99           O
+ATOM   2689  CB  LEU C  66     -15.780  12.400   8.970  1.00 12.37           C
+ATOM   2690  CG  LEU C  66     -14.557  11.353   8.900  1.00 14.22           C
+ATOM   2691  CD1 LEU C  66     -15.162  10.177   8.798  1.00 25.53           C
+ATOM   2692  CD2 LEU C  66     -13.636  11.641   7.894  1.00 14.43           C
+ATOM   2693  N   THR C  67     -17.292  14.977  10.145  1.00 14.80           N
+ATOM   2694  CA  THR C  67     -18.300  16.119   9.983  1.00 15.27           C
+ATOM   2695  C   THR C  67     -17.479  17.374  10.100  1.00 19.15           C
+ATOM   2696  O   THR C  67     -17.741  18.262   9.274  1.00 21.53           O
+ATOM   2697  CB  THR C  67     -19.282  15.886  11.189  1.00 13.22           C
+ATOM   2698  OG1 THR C  67     -20.066  14.785  10.961  1.00 17.30           O
+ATOM   2699  CG2 THR C  67     -20.207  17.226  11.132  1.00 30.44           C
+ATOM   2700  N   ASN C  68     -16.541  17.536  11.125  1.00 19.52           N
+ATOM   2701  CA  ASN C  68     -15.765  18.613  11.088  1.00 21.49           C
+ATOM   2702  C   ASN C  68     -14.901  18.833   9.858  1.00 19.25           C
+ATOM   2703  O   ASN C  68     -14.653  20.197   9.353  1.00 22.73           O
+ATOM   2704  CB  ASN C  68     -14.964  18.621  12.362  1.00 16.47           C
+ATOM   2705  CG  ASN C  68     -13.974  19.880  12.584  1.00 43.34           C
+ATOM   2706  OD1 ASN C  68     -14.128  20.746  12.326  1.00 49.22           O
+ATOM   2707  ND2 ASN C  68     -12.524  19.654  13.058  1.00 50.67           N
+ATOM   2708  N   ALA C  69     -14.378  17.793   9.402  1.00 16.22           N
+ATOM   2709  CA  ALA C  69     -13.526  17.929   8.006  1.00 15.27           C
+ATOM   2710  C   ALA C  69     -14.531  18.551   6.897  1.00 20.32           C
+ATOM   2711  O   ALA C  69     -13.858  19.250   6.103  1.00 22.38           O
+ATOM   2712  CB  ALA C  69     -12.891  16.615   7.759  1.00 15.52           C
+ATOM   2713  N   VAL C  70     -15.649  17.853   6.837  1.00 18.62           N
+ATOM   2714  CA  VAL C  70     -16.708  18.432   5.673  1.00 21.72           C
+ATOM   2715  C   VAL C  70     -16.947  20.121   6.025  1.00 33.94           C
+ATOM   2716  O   VAL C  70     -16.795  20.608   4.872  1.00 26.93           O
+ATOM   2717  CB  VAL C  70     -17.884  17.598   5.765  1.00 16.50           C
+ATOM   2718  CG1 VAL C  70     -18.759  18.120   4.709  1.00 19.06           C
+ATOM   2719  CG2 VAL C  70     -17.623  16.139   5.358  1.00 16.14           C
+ATOM   2720  N   ALA C  71     -17.135  20.362   6.965  1.00 27.30           N
+ATOM   2721  CA  ALA C  71     -17.392  21.922   7.494  1.00 22.92           C
+ATOM   2722  C   ALA C  71     -16.435  22.534   6.896  1.00 25.79           C
+ATOM   2723  O   ALA C  71     -16.374  23.836   6.718  1.00 24.88           O
+ATOM   2724  CB  ALA C  71     -17.865  21.980   8.684  1.00 26.73           C
+ATOM   2725  N   HIS C  72     -15.134  22.254   6.980  1.00 25.11           N
+ATOM   2726  CA  HIS C  72     -13.948  22.613   6.662  1.00 31.54           C
+ATOM   2727  C   HIS C  72     -13.174  22.493   5.762  1.00 23.73           C
+ATOM   2728  O   HIS C  72     -11.739  22.306   5.638  1.00 26.60           O
+ATOM   2729  CB  HIS C  72     -12.834  22.798   8.133  1.00 34.18           C
+ATOM   2730  CG  HIS C  72     -13.458  23.235   9.080  1.00 46.84           C
+ATOM   2731  ND1 HIS C  72     -13.546  24.937   9.646  1.00 41.84           N
+ATOM   2732  CD2 HIS C  72     -14.636  22.949  10.155  1.00 36.64           C
+ATOM   2733  CE1 HIS C  72     -14.088  24.896  10.559  1.00 46.81           C
+ATOM   2734  NE2 HIS C  72     -14.920  23.926  11.193  1.00 49.65           N
+ATOM   2735  N   VAL C  73     -13.783  21.917   4.647  1.00 19.28           N
+ATOM   2736  CA  VAL C  73     -13.123  21.287   3.673  1.00 19.45           C
+ATOM   2737  C   VAL C  73     -11.827  22.122   2.987  1.00 29.84           C
+ATOM   2738  O   VAL C  73     -10.987  21.361   2.509  1.00 35.51           O
+ATOM   2739  CB  VAL C  73     -14.122  20.427   2.448  1.00 30.11           C
+ATOM   2740  CG1 VAL C  73     -14.780  21.629   2.180  1.00 33.72           C
+ATOM   2741  CG2 VAL C  73     -13.307  19.397   1.916  1.00 28.74           C
+ATOM   2742  N   ASP C  74     -12.046  23.454   3.145  1.00 28.51           N
+ATOM   2743  CA  ASP C  74     -10.850  24.295   2.500  1.00 28.33           C
+ATOM   2744  C   ASP C  74      -9.537  24.483   3.294  1.00 41.00           C
+ATOM   2745  O   ASP C  74      -8.999  25.130   2.953  1.00 39.68           O
+ATOM   2746  CB  ASP C  74     -11.641  25.551   2.038  1.00 34.16           C
+ATOM   2747  CG  ASP C  74     -12.636  25.691   1.138  1.00 52.11           C
+ATOM   2748  OD1 ASP C  74     -12.809  24.845  -0.109  1.00 41.95           O
+ATOM   2749  OD2 ASP C  74     -13.725  26.027   1.050  1.00 57.27           O
+ATOM   2750  N   ASP C  75      -9.900  24.071   4.497  1.00 29.36           N
+ATOM   2751  CA  ASP C  75      -8.638  24.283   5.628  1.00 35.73           C
+ATOM   2752  C   ASP C  75      -9.022  23.128   6.558  1.00 33.10           C
+ATOM   2753  O   ASP C  75      -8.649  23.257   7.697  1.00 33.04           O
+ATOM   2754  CB  ASP C  75      -9.160  25.604   6.376  1.00 60.97           C
+ATOM   2755  CG  ASP C  75      -8.310  26.492   7.214  1.00 66.84           C
+ATOM   2756  OD1 ASP C  75      -7.090  26.471   6.833  1.00 48.92           O
+ATOM   2757  OD2 ASP C  75      -9.269  26.482   8.164  1.00 62.98           O
+ATOM   2758  N   MET C  76      -8.644  21.799   5.775  1.00 27.58           N
+ATOM   2759  CA  MET C  76      -8.452  20.656   6.738  1.00 27.89           C
+ATOM   2760  C   MET C  76      -7.374  20.534   7.506  1.00 27.58           C
+ATOM   2761  O   MET C  76      -7.529  20.166   8.646  1.00 20.50           O
+ATOM   2762  CB  MET C  76      -8.792  19.438   5.724  1.00 26.12           C
+ATOM   2763  CG  MET C  76     -10.257  19.383   5.400  1.00 43.36           C
+ATOM   2764  SD  MET C  76     -10.271  17.473   4.652  1.00 37.03           S
+ATOM   2765  CE  MET C  76      -9.415  17.721   3.291  1.00 44.39           C
+ATOM   2766  N   PRO C  77      -6.212  20.856   6.950  1.00 20.45           N
+ATOM   2767  CA  PRO C  77      -5.120  20.876   8.013  1.00 25.45           C
+ATOM   2768  C   PRO C  77      -5.008  21.386   9.255  1.00 36.43           C
+ATOM   2769  O   PRO C  77      -4.686  20.931  10.357  1.00 30.57           O
+ATOM   2770  CB  PRO C  77      -3.910  21.274   7.011  1.00 26.13           C
+ATOM   2771  CG  PRO C  77      -4.232  21.298   5.608  1.00 24.41           C
+ATOM   2772  CD  PRO C  77      -5.794  21.507   5.765  1.00 18.39           C
+ATOM   2773  N   ASN C  78      -5.556  22.597   9.438  1.00 27.78           N
+ATOM   2774  CA  ASN C  78      -6.067  23.245  10.604  1.00 53.47           C
+ATOM   2775  C   ASN C  78      -6.714  22.831  11.450  1.00 25.06           C
+ATOM   2776  O   ASN C  78      -6.836  22.551  12.629  1.00 27.11           O
+ATOM   2777  CB  ASN C  78      -5.848  24.913  10.378  1.00 49.62           C
+ATOM   2778  CG  ASN C  78      -5.937  25.817  11.891  1.00 27.09           C
+ATOM   2779  OD1 ASN C  78      -5.094  25.489  12.673  1.00 25.78           O
+ATOM   2780  ND2 ASN C  78      -7.164  26.163  12.327  1.00 30.98           N
+ATOM   2781  N   ALA C  79      -8.038  22.510  10.822  1.00 21.32           N
+ATOM   2782  CA  ALA C  79      -9.063  21.943  11.591  1.00 21.47           C
+ATOM   2783  C   ALA C  79      -8.803  20.510  12.317  1.00 24.81           C
+ATOM   2784  O   ALA C  79      -9.440  20.242  13.323  1.00 25.13           O
+ATOM   2785  CB  ALA C  79     -10.333  21.459  10.764  1.00 25.42           C
+ATOM   2786  N   LEU C  80      -8.034  19.757  11.542  1.00 14.71           N
+ATOM   2787  CA  LEU C  80      -7.693  18.364  12.080  1.00 14.80           C
+ATOM   2788  C   LEU C  80      -6.147  18.320  12.632  1.00 13.69           C
+ATOM   2789  O   LEU C  80      -5.765  17.251  13.012  1.00 17.02           O
+ATOM   2790  CB  LEU C  80      -7.618  17.425  10.975  1.00 23.31           C
+ATOM   2791  CG  LEU C  80      -9.017  17.241  10.096  1.00 28.90           C
+ATOM   2792  CD1 LEU C  80      -8.888  16.179   9.066  1.00 22.59           C
+ATOM   2793  CD2 LEU C  80      -9.912  16.862  11.126  1.00 28.24           C
+ATOM   2794  N   SER C  81      -5.642  19.595  13.022  1.00 15.20           N
+ATOM   2795  CA  SER C  81      -4.176  19.598  13.532  1.00 16.69           C
+ATOM   2796  C   SER C  81      -4.082  18.751  14.821  1.00 15.66           C
+ATOM   2797  O   SER C  81      -3.121  18.036  14.913  1.00 18.30           O
+ATOM   2798  CB  SER C  81      -4.200  21.212  13.927  1.00 20.04           C
+ATOM   2799  OG  SER C  81      -2.662  21.194  13.956  1.00 27.86           O
+ATOM   2800  N   ALA C  82      -4.975  18.951  15.740  1.00 16.14           N
+ATOM   2801  CA  ALA C  82      -4.666  18.152  16.940  1.00 27.63           C
+ATOM   2802  C   ALA C  82      -4.666  16.766  16.844  1.00 26.48           C
+ATOM   2803  O   ALA C  82      -4.201  15.804  17.443  1.00 22.53           O
+ATOM   2804  CB  ALA C  82      -5.631  18.625  18.033  1.00 26.01           C
+ATOM   2805  N   LEU C  83      -5.794  16.171  15.738  1.00 16.69           N
+ATOM   2806  CA  LEU C  83      -5.833  14.767  15.713  1.00 11.24           C
+ATOM   2807  C   LEU C  83      -4.721  14.342  14.699  1.00 14.18           C
+ATOM   2808  O   LEU C  83      -4.218  13.107  15.018  1.00 18.82           O
+ATOM   2809  CB  LEU C  83      -7.049  14.621  14.641  1.00 19.57           C
+ATOM   2810  CG  LEU C  83      -8.323  14.343  15.598  1.00 31.08           C
+ATOM   2811  CD1 LEU C  83      -9.453  13.945  14.510  1.00 37.56           C
+ATOM   2812  CD2 LEU C  83      -8.174  13.408  16.783  1.00 31.25           C
+ATOM   2813  N   SER C  84      -4.154  15.133  13.918  1.00 17.80           N
+ATOM   2814  CA  SER C  84      -2.888  14.776  13.267  1.00 16.31           C
+ATOM   2815  C   SER C  84      -1.740  14.590  14.181  1.00 16.72           C
+ATOM   2816  O   SER C  84      -0.882  13.728  14.196  1.00 20.08           O
+ATOM   2817  CB  SER C  84      -1.928  15.701  12.069  1.00 25.74           C
+ATOM   2818  OG  SER C  84      -2.988  16.059  11.690  1.00 36.74           O
+ATOM   2819  N   ASP C  85      -1.671  15.596  15.245  1.00 14.56           N
+ATOM   2820  CA  ASP C  85      -0.682  15.299  16.354  1.00 16.51           C
+ATOM   2821  C   ASP C  85      -0.794  14.103  17.109  1.00 12.46           C
+ATOM   2822  O   ASP C  85       0.064  13.405  17.411  1.00 15.88           O
+ATOM   2823  CB  ASP C  85      -0.758  16.459  17.195  1.00 24.70           C
+ATOM   2824  CG  ASP C  85      -0.167  17.721  16.629  1.00 34.11           C
+ATOM   2825  OD1 ASP C  85       0.446  17.900  15.796  1.00 25.15           O
+ATOM   2826  OD2 ASP C  85      -0.625  18.754  17.406  1.00 33.76           O
+ATOM   2827  N   LEU C  86      -2.190  13.771  17.337  1.00 12.70           N
+ATOM   2828  CA  LEU C  86      -2.467  12.693  18.111  1.00 16.53           C
+ATOM   2829  C   LEU C  86      -2.015  11.303  17.695  1.00 14.13           C
+ATOM   2830  O   LEU C  86      -1.425  10.432  18.116  1.00 17.79           O
+ATOM   2831  CB  LEU C  86      -3.980  12.638  18.447  1.00 18.93           C
+ATOM   2832  CG  LEU C  86      -4.506  11.657  19.521  1.00 29.36           C
+ATOM   2833  CD1 LEU C  86      -3.802  11.791  20.879  1.00 25.18           C
+ATOM   2834  CD2 LEU C  86      -5.938  11.585  19.602  1.00 37.62           C
+ATOM   2835  N   HIS C  87      -2.350  11.290  16.308  1.00 15.64           N
+ATOM   2836  CA  HIS C  87      -2.196   9.988  15.684  1.00 15.27           C
+ATOM   2837  C   HIS C  87      -0.432   9.776  15.294  1.00 11.96           C
+ATOM   2838  O   HIS C  87      -0.010   8.655  15.509  1.00 15.54           O
+ATOM   2839  CB  HIS C  87      -2.877   9.761  14.248  1.00 15.31           C
+ATOM   2840  CG  HIS C  87      -4.370   9.569  14.496  1.00 12.16           C
+ATOM   2841  ND1 HIS C  87      -5.204  10.514  14.931  1.00 15.96           N
+ATOM   2842  CD2 HIS C  87      -5.162   8.339  14.571  1.00 14.58           C
+ATOM   2843  CE1 HIS C  87      -6.508   9.921  15.132  1.00 13.46           C
+ATOM   2844  NE2 HIS C  87      -6.403   8.796  14.850  1.00 17.27           N
+ATOM   2845  N   ALA C  88       0.106  11.030  15.024  1.00 14.25           N
+ATOM   2846  CA  ALA C  88       1.440  11.027  14.747  1.00 15.37           C
+ATOM   2847  C   ALA C  88       2.402  10.439  15.994  1.00 19.72           C
+ATOM   2848  O   ALA C  88       3.419   9.888  15.742  1.00 18.60           O
+ATOM   2849  CB  ALA C  88       2.009  12.263  14.095  1.00 17.41           C
+ATOM   2850  N   HIS C  89       2.139  11.270  17.065  1.00 17.52           N
+ATOM   2851  CA  HIS C  89       2.856  11.246  18.393  1.00 20.01           C
+ATOM   2852  C   HIS C  89       2.445  10.295  19.376  1.00 19.52           C
+ATOM   2853  O   HIS C  89       3.400   9.856  20.127  1.00 22.69           O
+ATOM   2854  CB  HIS C  89       3.204  12.750  18.766  1.00 26.82           C
+ATOM   2855  CG  HIS C  89       3.898  13.462  17.550  1.00 23.76           C
+ATOM   2856  ND1 HIS C  89       5.028  13.110  16.879  1.00 28.14           N
+ATOM   2857  CD2 HIS C  89       3.344  14.574  17.213  1.00 25.55           C
+ATOM   2858  CE1 HIS C  89       4.845  14.030  16.064  1.00 32.36           C
+ATOM   2859  NE2 HIS C  89       4.173  15.010  16.064  1.00 29.26           N
+ATOM   2860  N   LYS C  90       1.340   9.800  19.443  1.00 16.72           N
+ATOM   2861  CA  LYS C  90       0.718   9.223  20.440  1.00 20.32           C
+ATOM   2862  C   LYS C  90       0.299   7.707  20.002  1.00 20.91           C
+ATOM   2863  O   LYS C  90       0.862   6.631  20.320  1.00 23.22           O
+ATOM   2864  CB  LYS C  90      -0.138   9.844  21.447  1.00 20.81           C
+ATOM   2865  CG  LYS C  90      -0.560   8.580  22.285  1.00 29.14           C
+ATOM   2866  CD  LYS C  90      -1.751   9.734  23.205  1.00 67.74           C
+ATOM   2867  CE  LYS C  90      -1.793   8.441  24.607  1.00 66.29           C
+ATOM   2868  NZ  LYS C  90      -1.676  10.047  25.898  1.00 56.99           N
+ATOM   2869  N   LEU C  91      -0.852   7.689  19.140  1.00 13.37           N
+ATOM   2870  CA  LEU C  91      -1.388   6.384  18.683  1.00 10.47           C
+ATOM   2871  C   LEU C  91      -0.395   5.670  17.757  1.00 15.87           C
+ATOM   2872  O   LEU C  91      -0.337   4.504  17.810  1.00 17.45           O
+ATOM   2873  CB  LEU C  91      -2.734   6.916  18.060  1.00 11.80           C
+ATOM   2874  CG  LEU C  91      -3.503   7.677  18.936  1.00 14.59           C
+ATOM   2875  CD1 LEU C  91      -4.817   8.063  18.135  1.00 18.31           C
+ATOM   2876  CD2 LEU C  91      -3.927   6.656  20.006  1.00 19.42           C
+ATOM   2877  N   ARG C  92       0.163   6.386  16.757  1.00 17.30           N
+ATOM   2878  CA  ARG C  92       1.225   5.888  15.973  1.00 16.69           C
+ATOM   2879  C   ARG C  92       0.801   4.590  15.144  1.00 18.80           C
+ATOM   2880  O   ARG C  92       1.289   3.690  14.985  1.00 19.26           O
+ATOM   2881  CB  ARG C  92       2.462   5.556  16.835  1.00 13.64           C
+ATOM   2882  CG  ARG C  92       3.207   6.871  17.042  1.00 14.42           C
+ATOM   2883  CD  ARG C  92       4.320   6.680  18.089  1.00 27.16           C
+ATOM   2884  NE  ARG C  92       4.955   7.507  17.826  1.00 44.94           N
+ATOM   2885  CZ  ARG C  92       5.808   6.749  20.563  1.00 38.22           C
+ATOM   2886  NH1 ARG C  92       4.053   6.376  21.084  1.00 33.94           N
+ATOM   2887  NH2 ARG C  92       6.026   7.349  19.817  1.00 48.21           N
+ATOM   2888  N   VAL C  93      -0.511   4.844  14.546  1.00 13.36           N
+ATOM   2889  CA  VAL C  93      -1.122   3.790  13.672  1.00 14.31           C
+ATOM   2890  C   VAL C  93      -0.425   3.861  12.310  1.00 12.63           C
+ATOM   2891  O   VAL C  93      -0.266   4.875  11.618  1.00 14.78           O
+ATOM   2892  CB  VAL C  93      -2.622   4.322  13.422  1.00  8.72           C
+ATOM   2893  CG1 VAL C  93      -3.298   3.413  12.409  1.00 14.83           C
+ATOM   2894  CG2 VAL C  93      -3.256   4.402  14.761  1.00 15.34           C
+ATOM   2895  N   ASP C  94      -0.069   2.672  11.865  1.00 14.84           N
+ATOM   2896  CA  ASP C  94       0.516   2.634  10.645  1.00 17.19           C
+ATOM   2897  C   ASP C  94      -0.337   3.187   9.492  1.00 13.94           C
+ATOM   2898  O   ASP C  94      -1.496   2.844   9.436  1.00 13.55           O
+ATOM   2899  CB  ASP C  94       1.001   1.175  10.166  1.00 19.19           C
+ATOM   2900  CG  ASP C  94       2.066   1.114   9.015  1.00 25.98           C
+ATOM   2901  OD1 ASP C  94       3.132   1.101   9.167  1.00 23.44           O
+ATOM   2902  OD2 ASP C  94       1.457   1.246   7.818  1.00 20.10           O
+ATOM   2903  N   PRO C  95       0.336   3.997   8.656  1.00 13.43           N
+ATOM   2904  CA  PRO C  95      -0.533   4.680   7.482  1.00 16.10           C
+ATOM   2905  C   PRO C  95      -1.120   3.788   6.667  1.00 11.12           C
+ATOM   2906  O   PRO C  95      -2.331   4.229   6.243  1.00 14.55           O
+ATOM   2907  CB  PRO C  95       0.512   5.399   6.750  1.00 19.09           C
+ATOM   2908  CG  PRO C  95       1.437   5.610   7.677  1.00 18.28           C
+ATOM   2909  CD  PRO C  95       1.704   4.489   8.616  1.00 15.64           C
+ATOM   2910  N   VAL C  96      -0.975   2.426   6.418  1.00 15.60           N
+ATOM   2911  CA  VAL C  96      -1.688   1.553   5.597  1.00 13.24           C
+ATOM   2912  C   VAL C  96      -3.093   1.373   6.108  1.00 11.50           C
+ATOM   2913  O   VAL C  96      -4.125   1.168   5.337  1.00 13.19           O
+ATOM   2914  CB  VAL C  96      -0.963   0.166   5.595  1.00 20.64           C
+ATOM   2915  CG1 VAL C  96       0.380   0.545   5.130  1.00 37.75           C
+ATOM   2916  CG2 VAL C  96      -0.986  -0.723   6.614  1.00 28.85           C
+ATOM   2917  N   ASN C  97      -3.362   1.525   7.446  1.00  9.54           N
+ATOM   2918  CA  ASN C  97      -4.626   1.297   7.971  1.00 11.68           C
+ATOM   2919  C   ASN C  97      -5.641   2.261   7.562  1.00  9.63           C
+ATOM   2920  O   ASN C  97      -6.898   1.950   7.745  1.00  9.95           O
+ATOM   2921  CB  ASN C  97      -4.431   1.174   9.336  1.00 13.42           C
+ATOM   2922  CG  ASN C  97      -3.599  -0.084   9.836  1.00 14.06           C
+ATOM   2923  OD1 ASN C  97      -3.997  -1.327   9.652  1.00  8.45           O
+ATOM   2924  ND2 ASN C  97      -2.374   0.157  10.197  1.00 18.92           N
+ATOM   2925  N   PHE C  98      -5.236   3.438   7.306  1.00 11.20           N
+ATOM   2926  CA  PHE C  98      -6.082   4.528   6.931  1.00 10.00           C
+ATOM   2927  C   PHE C  98      -6.998   4.116   5.628  1.00 12.29           C
+ATOM   2928  O   PHE C  98      -8.203   4.405   5.580  1.00 11.85           O
+ATOM   2929  CB  PHE C  98      -5.520   5.917   6.784  1.00 11.84           C
+ATOM   2930  CG  PHE C  98      -4.966   6.392   8.161  1.00 10.85           C
+ATOM   2931  CD1 PHE C  98      -5.796   7.234   8.908  1.00 20.50           C
+ATOM   2932  CD2 PHE C  98      -3.900   5.913   8.688  1.00 15.66           C
+ATOM   2933  CE1 PHE C  98      -5.555   7.714  10.141  1.00 25.62           C
+ATOM   2934  CE2 PHE C  98      -3.735   6.528  10.021  1.00 23.17           C
+ATOM   2935  CZ  PHE C  98      -4.378   7.442  10.790  1.00 16.17           C
+ATOM   2936  N   LYS C  99      -6.268   3.417   4.783  1.00 12.40           N
+ATOM   2937  CA  LYS C  99      -6.999   2.958   3.593  1.00 16.89           C
+ATOM   2938  C   LYS C  99      -8.208   2.150   3.790  1.00 16.36           C
+ATOM   2939  O   LYS C  99      -9.081   1.954   3.131  1.00 12.00           O
+ATOM   2940  CB  LYS C  99      -5.965   2.519   2.404  1.00 37.75           C
+ATOM   2941  CG  LYS C  99      -5.634   1.867   2.299  1.00 60.42           C
+ATOM   2942  CD  LYS C  99      -4.523   1.328   0.960  1.00 80.12           C
+ATOM   2943  CE  LYS C  99      -5.145  -0.811   1.345  1.00 54.41           C
+ATOM   2944  NZ  LYS C  99      -4.072  -1.896   0.975  1.00 73.17           N
+ATOM   2945  N   LEU C 100      -7.771   1.248   4.812  1.00 11.58           N
+ATOM   2946  CA  LEU C 100      -8.668   0.083   5.298  1.00 10.08           C
+ATOM   2947  C   LEU C 100      -9.923   0.739   5.824  1.00 15.81           C
+ATOM   2948  O   LEU C 100     -11.033   0.328   5.495  1.00 12.64           O
+ATOM   2949  CB  LEU C 100      -7.919  -0.962   6.095  1.00 11.52           C
+ATOM   2950  CG  LEU C 100      -6.700  -1.456   5.659  1.00 12.29           C
+ATOM   2951  CD1 LEU C 100      -6.140  -2.487   6.602  1.00 13.43           C
+ATOM   2952  CD2 LEU C 100      -6.937  -2.037   4.366  1.00 20.82           C
+ATOM   2953  N   LEU C 101      -9.764   1.698   6.763  1.00  9.97           N
+ATOM   2954  CA  LEU C 101     -10.983   2.177   7.355  1.00 11.48           C
+ATOM   2955  C   LEU C 101     -11.756   3.062   6.216  1.00 15.63           C
+ATOM   2956  O   LEU C 101     -12.976   2.978   6.299  1.00 14.14           O
+ATOM   2957  CB  LEU C 101     -10.599   3.208   8.498  1.00 14.89           C
+ATOM   2958  CG  LEU C 101     -11.670   3.902   9.072  1.00 22.22           C
+ATOM   2959  CD1 LEU C 101     -12.818   2.883   9.487  1.00 22.49           C
+ATOM   2960  CD2 LEU C 101     -11.241   4.642  10.285  1.00 23.89           C
+ATOM   2961  N   SER C 102     -11.033   3.737   5.313  1.00 13.80           N
+ATOM   2962  CA  SER C 102     -11.714   4.605   4.376  1.00  7.27           C
+ATOM   2963  C   SER C 102     -12.532   3.565   3.508  1.00  8.13           C
+ATOM   2964  O   SER C 102     -13.716   4.048   3.196  1.00 14.48           O
+ATOM   2965  CB  SER C 102     -10.627   5.223   3.513  1.00 12.53           C
+ATOM   2966  OG  SER C 102      -9.908   6.246   4.205  1.00 16.99           O
+ATOM   2967  N   HIS C 103     -12.013   2.448   3.076  1.00  9.47           N
+ATOM   2968  CA  HIS C 103     -12.856   1.553   2.231  1.00  7.87           C
+ATOM   2969  C   HIS C 103     -13.969   1.179   3.005  1.00  9.96           C
+ATOM   2970  O   HIS C 103     -15.145   1.064   2.463  1.00 11.06           O
+ATOM   2971  CB  HIS C 103     -12.045   0.334   2.007  1.00 13.28           C
+ATOM   2972  CG  HIS C 103     -12.687  -0.723   1.251  1.00 12.69           C
+ATOM   2973  ND1 HIS C 103     -12.940  -2.084   2.021  1.00 13.59           N
+ATOM   2974  CD2 HIS C 103     -13.286  -0.768   0.111  1.00 11.80           C
+ATOM   2975  CE1 HIS C 103     -13.607  -2.702   0.895  1.00 18.03           C
+ATOM   2976  NE2 HIS C 103     -13.846  -2.052  -0.281  1.00 12.75           N
+ATOM   2977  N   CYS C 104     -13.956   0.809   4.281  1.00 11.32           N
+ATOM   2978  CA  CYS C 104     -15.102   0.402   5.220  1.00 10.36           C
+ATOM   2979  C   CYS C 104     -16.128   1.576   5.312  1.00 10.40           C
+ATOM   2980  O   CYS C 104     -17.326   1.230   5.408  1.00 13.45           O
+ATOM   2981  CB  CYS C 104     -14.679  -0.210   6.511  1.00 10.60           C
+ATOM   2982  SG  CYS C 104     -13.758  -1.766   6.256  1.00 14.84           S
+ATOM   2983  N   LEU C 105     -15.610   2.759   5.400  1.00  7.19           N
+ATOM   2984  CA  LEU C 105     -16.550   3.718   5.401  1.00  7.94           C
+ATOM   2985  C   LEU C 105     -17.308   3.811   4.064  1.00 12.20           C
+ATOM   2986  O   LEU C 105     -18.557   4.127   4.121  1.00 10.34           O
+ATOM   2987  CB  LEU C 105     -15.878   5.040   5.656  1.00 21.49           C
+ATOM   2988  CG  LEU C 105     -16.527   6.202   6.207  1.00 44.61           C
+ATOM   2989  CD1 LEU C 105     -16.548   5.934   7.976  1.00 29.90           C
+ATOM   2990  CD2 LEU C 105     -14.638   7.055   6.645  1.00 67.41           C
+ATOM   2991  N   LEU C 106     -16.563   3.801   3.055  1.00 12.01           N
+ATOM   2992  CA  LEU C 106     -17.399   3.653   1.720  1.00 11.59           C
+ATOM   2993  C   LEU C 106     -18.331   2.701   1.716  1.00 13.18           C
+ATOM   2994  O   LEU C 106     -19.445   3.007   1.174  1.00 13.67           O
+ATOM   2995  CB  LEU C 106     -16.393   3.784   0.463  1.00 15.01           C
+ATOM   2996  CG  LEU C 106     -15.665   4.920   0.043  1.00 26.98           C
+ATOM   2997  CD1 LEU C 106     -14.786   4.477  -0.938  1.00 27.15           C
+ATOM   2998  CD2 LEU C 106     -16.427   6.222  -0.197  1.00 28.82           C
+ATOM   2999  N   VAL C 107     -18.135   1.497   2.015  1.00  9.69           N
+ATOM   3000  CA  VAL C 107     -18.836   0.268   2.127  1.00 13.59           C
+ATOM   3001  C   VAL C 107     -20.197   0.605   2.883  1.00 17.84           C
+ATOM   3002  O   VAL C 107     -21.451   0.519   2.577  1.00 16.17           O
+ATOM   3003  CB  VAL C 107     -18.247  -1.024   2.534  1.00  6.66           C
+ATOM   3004  CG1 VAL C 107     -19.313  -1.975   2.757  1.00 10.41           C
+ATOM   3005  CG2 VAL C 107     -17.243  -1.377   1.493  1.00  9.95           C
+ATOM   3006  N   THR C 108     -20.022   1.317   4.069  1.00 12.50           N
+ATOM   3007  CA  THR C 108     -21.156   1.586   4.961  1.00 12.00           C
+ATOM   3008  C   THR C 108     -22.004   2.672   4.235  1.00  8.53           C
+ATOM   3009  O   THR C 108     -23.266   2.600   4.430  1.00 13.95           O
+ATOM   3010  CB  THR C 108     -20.489   2.175   6.313  1.00 10.15           C
+ATOM   3011  OG1 THR C 108     -19.618   1.211   6.782  1.00 10.65           O
+ATOM   3012  CG2 THR C 108     -21.574   2.581   7.303  1.00  9.30           C
+ATOM   3013  N   LEU C 109     -21.432   3.696   3.675  1.00  9.01           N
+ATOM   3014  CA  LEU C 109     -22.256   4.765   2.941  1.00  9.31           C
+ATOM   3015  C   LEU C 109     -23.120   4.001   2.078  1.00 15.85           C
+ATOM   3016  O   LEU C 109     -24.157   4.405   1.752  1.00 14.26           O
+ATOM   3017  CB  LEU C 109     -21.296   5.848   2.566  1.00 11.02           C
+ATOM   3018  CG  LEU C 109     -20.716   6.843   3.619  1.00 19.91           C
+ATOM   3019  CD1 LEU C 109     -19.558   7.677   2.954  1.00 29.96           C
+ATOM   3020  CD2 LEU C 109     -21.630   7.225   4.484  1.00 27.29           C
+ATOM   3021  N   ALA C 110     -22.355   3.185   1.097  1.00 14.51           N
+ATOM   3022  CA  ALA C 110     -22.975   2.438  -0.100  1.00 13.69           C
+ATOM   3023  C   ALA C 110     -24.179   1.916   0.467  1.00 24.66           C
+ATOM   3024  O   ALA C 110     -25.339   1.691  -0.205  1.00 18.31           O
+ATOM   3025  CB  ALA C 110     -21.958   1.541  -0.721  1.00 13.14           C
+ATOM   3026  N   ALA C 111     -24.108   1.069   1.636  1.00 17.30           N
+ATOM   3027  CA  ALA C 111     -25.131   0.205   2.227  1.00 14.98           C
+ATOM   3028  C   ALA C 111     -26.406   1.141   2.649  1.00 17.59           C
+ATOM   3029  O   ALA C 111     -27.374   0.392   2.964  1.00 18.70           O
+ATOM   3030  CB  ALA C 111     -24.528  -0.603   3.334  1.00 14.01           C
+ATOM   3031  N   HIS C 112     -26.145   2.311   3.092  1.00 17.57           N
+ATOM   3032  CA  HIS C 112     -27.157   3.218   3.684  1.00 17.81           C
+ATOM   3033  C   HIS C 112     -27.592   4.143   2.662  1.00 23.35           C
+ATOM   3034  O   HIS C 112     -28.643   4.846   3.027  1.00 25.70           O
+ATOM   3035  CB  HIS C 112     -26.632   3.907   4.985  1.00 19.09           C
+ATOM   3036  CG  HIS C 112     -26.731   2.953   5.878  1.00 25.33           C
+ATOM   3037  ND1 HIS C 112     -25.315   2.095   6.535  1.00 35.05           N
+ATOM   3038  CD2 HIS C 112     -27.507   2.446   6.914  1.00 26.57           C
+ATOM   3039  CE1 HIS C 112     -25.696   1.397   7.484  1.00 18.65           C
+ATOM   3040  NE2 HIS C 112     -27.041   1.550   7.786  1.00 32.92           N
+ATOM   3041  N   LEU C 113     -27.112   4.669   1.736  1.00 23.20           N
+ATOM   3042  CA  LEU C 113     -27.336   5.646   0.694  1.00 19.73           C
+ATOM   3043  C   LEU C 113     -27.527   4.917  -0.780  1.00 24.44           C
+ATOM   3044  O   LEU C 113     -26.931   5.709  -1.436  1.00 27.49           O
+ATOM   3045  CB  LEU C 113     -26.346   6.534   0.722  1.00 30.36           C
+ATOM   3046  CG  LEU C 113     -26.291   7.305   1.871  1.00 29.78           C
+ATOM   3047  CD1 LEU C 113     -24.949   8.197   1.187  1.00 35.69           C
+ATOM   3048  CD2 LEU C 113     -27.165   7.743   2.593  1.00 47.79           C
+ATOM   3049  N   PRO C 114     -28.533   4.269  -1.071  1.00 23.63           N
+ATOM   3050  CA  PRO C 114     -28.972   3.222  -2.364  1.00 26.62           C
+ATOM   3051  C   PRO C 114     -29.185   4.694  -3.555  1.00 35.32           C
+ATOM   3052  O   PRO C 114     -28.033   5.030  -4.238  1.00 38.93           O
+ATOM   3053  CB  PRO C 114     -29.692   2.344  -1.692  1.00 32.82           C
+ATOM   3054  CG  PRO C 114     -30.705   3.466  -1.031  1.00 48.45           C
+ATOM   3055  CD  PRO C 114     -29.572   3.964   0.093  1.00 44.41           C
+ATOM   3056  N   ALA C 115     -29.614   5.816  -3.110  1.00 34.13           N
+ATOM   3057  CA  ALA C 115     -29.733   6.788  -3.943  1.00 25.13           C
+ATOM   3058  C   ALA C 115     -28.814   7.547  -4.176  1.00 23.70           C
+ATOM   3059  O   ALA C 115     -28.484   8.189  -5.293  1.00 28.59           O
+ATOM   3060  CB  ALA C 115     -31.178   7.688  -4.040  1.00 49.66           C
+ATOM   3061  N   GLU C 116     -27.955   7.979  -3.256  1.00 19.87           N
+ATOM   3062  CA  GLU C 116     -26.996   9.192  -3.337  1.00 15.46           C
+ATOM   3063  C   GLU C 116     -25.546   8.615  -3.591  1.00 17.63           C
+ATOM   3064  O   GLU C 116     -24.903   9.456  -4.305  1.00 21.65           O
+ATOM   3065  CB  GLU C 116     -26.603   9.453  -1.769  1.00 24.21           C
+ATOM   3066  CG  GLU C 116     -28.465   8.862  -0.493  1.00 64.07           C
+ATOM   3067  CD  GLU C 116     -28.940  10.160  -0.964  1.00 64.09           C
+ATOM   3068  OE1 GLU C 116     -28.783  10.922  -1.780  1.00 59.54           O
+ATOM   3069  OE2 GLU C 116     -30.228   9.634  -0.550  1.00 58.51           O
+ATOM   3070  N   PHE C 117     -25.343   7.424  -3.452  1.00 18.06           N
+ATOM   3071  CA  PHE C 117     -24.055   6.750  -3.919  1.00 15.96           C
+ATOM   3072  C   PHE C 117     -23.837   6.451  -5.366  1.00 17.62           C
+ATOM   3073  O   PHE C 117     -23.697   5.333  -5.682  1.00 20.40           O
+ATOM   3074  CB  PHE C 117     -23.795   5.597  -3.019  1.00 11.69           C
+ATOM   3075  CG  PHE C 117     -22.482   5.073  -2.755  1.00 15.94           C
+ATOM   3076  CD1 PHE C 117     -21.516   5.939  -2.024  1.00 20.23           C
+ATOM   3077  CD2 PHE C 117     -21.879   3.939  -3.352  1.00 18.29           C
+ATOM   3078  CE1 PHE C 117     -20.010   5.429  -1.856  1.00 21.74           C
+ATOM   3079  CE2 PHE C 117     -20.499   3.543  -3.388  1.00 15.69           C
+ATOM   3080  CZ  PHE C 117     -19.734   4.357  -2.542  1.00 19.08           C
+ATOM   3081  N   THR C 118     -23.888   7.554  -6.187  1.00 16.36           N
+ATOM   3082  CA  THR C 118     -23.750   7.200  -7.579  1.00 24.73           C
+ATOM   3083  C   THR C 118     -22.162   7.085  -7.979  1.00 20.24           C
+ATOM   3084  O   THR C 118     -21.404   7.258  -6.938  1.00 17.57           O
+ATOM   3085  CB  THR C 118     -23.989   8.809  -8.229  1.00 24.50           C
+ATOM   3086  OG1 THR C 118     -25.423   9.053  -8.024  1.00 43.24           O
+ATOM   3087  CG2 THR C 118     -23.399   9.727  -8.021  1.00 20.86           C
+ATOM   3088  N   PRO C 119     -21.965   6.771  -8.980  1.00 16.01           N
+ATOM   3089  CA  PRO C 119     -20.523   6.700  -9.434  1.00 19.05           C
+ATOM   3090  C   PRO C 119     -19.780   7.932  -9.012  1.00 19.72           C
+ATOM   3091  O   PRO C 119     -18.600   7.893  -8.606  1.00 14.74           O
+ATOM   3092  CB  PRO C 119     -20.464   6.235 -10.815  1.00 21.12           C
+ATOM   3093  CG  PRO C 119     -21.872   5.425 -11.078  1.00 19.58           C
+ATOM   3094  CD  PRO C 119     -22.940   6.131 -10.122  1.00 19.86           C
+ATOM   3095  N   ALA C 120     -20.252   9.094  -9.502  1.00 19.86           N
+ATOM   3096  CA  ALA C 120     -19.548  10.276  -9.334  1.00 18.74           C
+ATOM   3097  C   ALA C 120     -19.388  10.637  -7.832  1.00 10.87           C
+ATOM   3098  O   ALA C 120     -18.248  11.251  -7.450  1.00 14.38           O
+ATOM   3099  CB  ALA C 120     -20.260  11.491  -9.979  1.00 23.51           C
+ATOM   3100  N   VAL C 121     -20.385  10.350  -7.040  1.00 15.38           N
+ATOM   3101  CA  VAL C 121     -20.425  10.526  -5.562  1.00 17.86           C
+ATOM   3102  C   VAL C 121     -19.282   9.640  -4.960  1.00 13.56           C
+ATOM   3103  O   VAL C 121     -18.551  10.181  -4.182  1.00 14.98           O
+ATOM   3104  CB  VAL C 121     -21.712  10.598  -4.961  1.00 16.82           C
+ATOM   3105  CG1 VAL C 121     -21.586  10.574  -3.474  1.00 15.23           C
+ATOM   3106  CG2 VAL C 121     -22.399  11.837  -5.508  1.00 18.21           C
+ATOM   3107  N   HIS C 122     -19.274   8.429  -5.423  1.00 13.62           N
+ATOM   3108  CA  HIS C 122     -18.258   7.352  -4.974  1.00 13.41           C
+ATOM   3109  C   HIS C 122     -16.927   7.953  -5.183  1.00 19.70           C
+ATOM   3110  O   HIS C 122     -16.069   7.929  -4.270  1.00 15.94           O
+ATOM   3111  CB  HIS C 122     -18.661   6.175  -5.608  1.00 13.44           C
+ATOM   3112  CG  HIS C 122     -17.896   4.996  -5.506  1.00 11.42           C
+ATOM   3113  ND1 HIS C 122     -18.152   3.694  -5.975  1.00 16.43           N
+ATOM   3114  CD2 HIS C 122     -16.677   4.952  -4.678  1.00 17.04           C
+ATOM   3115  CE1 HIS C 122     -17.175   2.906  -5.621  1.00 20.17           C
+ATOM   3116  NE2 HIS C 122     -16.333   3.490  -4.734  1.00 16.87           N
+ATOM   3117  N   ALA C 123     -16.663   8.527  -6.359  1.00 13.94           N
+ATOM   3118  CA  ALA C 123     -15.263   8.979  -6.644  1.00 17.63           C
+ATOM   3119  C   ALA C 123     -14.878  10.124  -5.801  1.00 15.63           C
+ATOM   3120  O   ALA C 123     -13.855  10.169  -5.195  1.00 16.32           O
+ATOM   3121  CB  ALA C 123     -15.304   9.355  -8.200  1.00 21.15           C
+ATOM   3122  N   SER C 124     -15.845  11.044  -5.588  1.00 11.75           N
+ATOM   3123  CA  SER C 124     -15.443  12.245  -4.719  1.00 15.01           C
+ATOM   3124  C   SER C 124     -15.332  11.744  -3.177  1.00 15.67           C
+ATOM   3125  O   SER C 124     -14.471  12.374  -2.655  1.00 13.45           O
+ATOM   3126  CB  SER C 124     -16.754  13.206  -4.754  1.00 14.78           C
+ATOM   3127  OG  SER C 124     -17.033  13.770  -6.107  1.00 17.64           O
+ATOM   3128  N   LEU C 125     -16.158  10.923  -2.823  1.00 10.43           N
+ATOM   3129  CA  LEU C 125     -15.983  10.431  -1.427  1.00 12.66           C
+ATOM   3130  C   LEU C 125     -14.705   9.708  -1.135  1.00 12.01           C
+ATOM   3131  O   LEU C 125     -13.873   9.973  -0.196  1.00 10.58           O
+ATOM   3132  CB  LEU C 125     -17.093   9.515  -1.060  1.00 10.32           C
+ATOM   3133  CG  LEU C 125     -18.393  10.264  -0.600  1.00 16.01           C
+ATOM   3134  CD1 LEU C 125     -19.493   9.231  -0.642  1.00 21.31           C
+ATOM   3135  CD2 LEU C 125     -18.244  11.194   0.645  1.00 19.17           C
+ATOM   3136  N   ASP C 126     -14.179   8.973  -2.132  1.00 15.23           N
+ATOM   3137  CA  ASP C 126     -12.896   8.220  -2.060  1.00 15.01           C
+ATOM   3138  C   ASP C 126     -11.877   9.262  -2.029  1.00 17.34           C
+ATOM   3139  O   ASP C 126     -10.873   9.161  -1.311  1.00 17.16           O
+ATOM   3140  CB  ASP C 126     -12.829   7.258  -3.164  1.00 14.23           C
+ATOM   3141  CG  ASP C 126     -11.630   6.072  -2.962  1.00 15.33           C
+ATOM   3142  OD1 ASP C 126     -11.594   5.816  -1.849  1.00 21.18           O
+ATOM   3143  OD2 ASP C 126     -10.723   6.195  -3.670  1.00 18.49           O
+ATOM   3144  N   LYS C 127     -11.889  10.369  -2.865  1.00 10.51           N
+ATOM   3145  CA  LYS C 127     -10.843  11.346  -2.937  1.00  9.26           C
+ATOM   3146  C   LYS C 127     -10.985  12.090  -1.550  1.00 10.60           C
+ATOM   3147  O   LYS C 127      -9.736  12.501  -1.011  1.00 13.38           O
+ATOM   3148  CB  LYS C 127     -11.128  12.473  -4.012  1.00 12.57           C
+ATOM   3149  CG  LYS C 127     -10.837  11.844  -5.259  1.00 21.03           C
+ATOM   3150  CD  LYS C 127     -11.084  12.905  -6.433  1.00 27.03           C
+ATOM   3151  CE  LYS C 127     -10.200  14.180  -6.287  1.00 36.89           C
+ATOM   3152  NZ  LYS C 127     -10.401  15.128  -7.495  1.00 25.75           N
+ATOM   3153  N   PHE C 128     -12.089  12.351  -1.096  1.00 12.44           N
+ATOM   3154  CA  PHE C 128     -12.150  13.112   0.060  1.00 14.73           C
+ATOM   3155  C   PHE C 128     -11.573  12.159   1.379  1.00 19.70           C
+ATOM   3156  O   PHE C 128     -10.742  12.890   2.141  1.00 15.58           O
+ATOM   3157  CB  PHE C 128     -13.559  13.504   0.502  1.00 11.17           C
+ATOM   3158  CG  PHE C 128     -13.873  13.981   2.080  1.00 11.86           C
+ATOM   3159  CD1 PHE C 128     -13.416  15.303   2.300  1.00 15.77           C
+ATOM   3160  CD2 PHE C 128     -14.468  13.060   2.611  1.00 23.89           C
+ATOM   3161  CE1 PHE C 128     -13.803  15.496   3.630  1.00 14.00           C
+ATOM   3162  CE2 PHE C 128     -14.618  13.544   4.103  1.00 26.48           C
+ATOM   3163  CZ  PHE C 128     -14.347  14.715   4.443  1.00 15.47           C
+ATOM   3164  N   LEU C 129     -11.958  10.929   1.410  1.00 14.00           N
+ATOM   3165  CA  LEU C 129     -11.373  10.116   2.580  1.00 13.04           C
+ATOM   3166  C   LEU C 129      -9.834   9.957   2.377  1.00 17.30           C
+ATOM   3167  O   LEU C 129      -8.955  10.001   3.360  1.00 14.75           O
+ATOM   3168  CB  LEU C 129     -11.850   8.796   2.608  1.00 12.12           C
+ATOM   3169  CG  LEU C 129     -13.240   8.898   3.000  1.00 20.92           C
+ATOM   3170  CD1 LEU C 129     -14.044   7.674   2.880  1.00 26.64           C
+ATOM   3171  CD2 LEU C 129     -13.522   9.300   4.355  1.00 35.02           C
+ATOM   3172  N   ALA C 130      -9.238   9.941   1.192  1.00 16.20           N
+ATOM   3173  CA  ALA C 130      -7.860  10.006   0.893  1.00 14.56           C
+ATOM   3174  C   ALA C 130      -7.216  11.214   1.438  1.00 19.27           C
+ATOM   3175  O   ALA C 130      -5.982  11.322   1.999  1.00 14.14           O
+ATOM   3176  CB  ALA C 130      -7.442   9.870  -0.423  1.00 17.10           C
+ATOM   3177  N   SER C 131      -7.839  12.284   1.109  1.00 18.74           N
+ATOM   3178  CA  SER C 131      -7.158  13.685   1.577  1.00 19.45           C
+ATOM   3179  C   SER C 131      -7.424  13.831   3.307  1.00 14.53           C
+ATOM   3180  O   SER C 131      -6.317  14.261   3.681  1.00 12.58           O
+ATOM   3181  CB  SER C 131      -8.220  14.954   1.086  1.00 22.90           C
+ATOM   3182  OG  SER C 131      -8.002  14.782  -0.395  1.00 37.64           O
+ATOM   3183  N   VAL C 132      -8.436  13.257   3.800  1.00 12.03           N
+ATOM   3184  CA  VAL C 132      -8.508  13.199   5.238  1.00 13.41           C
+ATOM   3185  C   VAL C 132      -7.272  12.425   5.809  1.00 19.42           C
+ATOM   3186  O   VAL C 132      -6.491  12.809   6.794  1.00 14.00           O
+ATOM   3187  CB  VAL C 132      -9.726  12.697   5.713  1.00 15.91           C
+ATOM   3188  CG1 VAL C 132      -9.619  12.379   7.255  1.00 17.14           C
+ATOM   3189  CG2 VAL C 132     -11.022  13.817   5.553  1.00 19.41           C
+ATOM   3190  N   SER C 133      -7.133  11.157   5.180  1.00 14.01           N
+ATOM   3191  CA  SER C 133      -6.066  10.266   5.421  1.00 13.12           C
+ATOM   3192  C   SER C 133      -4.733  10.965   5.281  1.00 21.83           C
+ATOM   3193  O   SER C 133      -3.772  10.686   6.325  1.00 18.12           O
+ATOM   3194  CB  SER C 133      -5.938   8.996   4.603  1.00 13.61           C
+ATOM   3195  OG  SER C 133      -7.161   8.346   5.111  1.00 18.98           O
+ATOM   3196  N   THR C 134      -4.427  11.617   4.350  1.00 17.53           N
+ATOM   3197  CA  THR C 134      -3.144  12.409   4.136  1.00 15.95           C
+ATOM   3198  C   THR C 134      -2.914  13.473   5.177  1.00 16.97           C
+ATOM   3199  O   THR C 134      -1.750  13.477   5.831  1.00 20.39           O
+ATOM   3200  CB  THR C 134      -3.269  13.086   2.683  1.00 18.28           C
+ATOM   3201  OG1 THR C 134      -3.148  12.134   1.784  1.00 22.72           O
+ATOM   3202  CG2 THR C 134      -2.059  13.978   2.401  1.00 22.70           C
+ATOM   3203  N   VAL C 135      -3.965  14.094   5.504  1.00 15.13           N
+ATOM   3204  CA  VAL C 135      -3.754  15.191   6.579  1.00 16.51           C
+ATOM   3205  C   VAL C 135      -3.260  14.323   7.873  1.00 16.40           C
+ATOM   3206  O   VAL C 135      -2.487  14.902   8.617  1.00 15.94           O
+ATOM   3207  CB  VAL C 135      -5.059  16.100   6.780  1.00 18.21           C
+ATOM   3208  CG1 VAL C 135      -5.021  16.981   8.022  1.00 17.40           C
+ATOM   3209  CG2 VAL C 135      -5.230  16.888   5.569  1.00 19.71           C
+ATOM   3210  N   LEU C 136      -4.222  13.312   8.307  1.00 12.10           N
+ATOM   3211  CA  LEU C 136      -4.023  12.675   9.630  1.00 15.98           C
+ATOM   3212  C   LEU C 136      -2.564  12.099   9.666  1.00 16.04           C
+ATOM   3213  O   LEU C 136      -2.112  11.725  10.867  1.00 16.42           O
+ATOM   3214  CB  LEU C 136      -5.060  11.690   9.725  1.00 16.86           C
+ATOM   3215  CG  LEU C 136      -6.464  12.340   9.949  1.00 24.99           C
+ATOM   3216  CD1 LEU C 136      -7.273  11.133  10.442  1.00 18.69           C
+ATOM   3217  CD2 LEU C 136      -6.479  13.221  11.104  1.00 43.05           C
+ATOM   3218  N   THR C 137      -1.948  11.875   8.493  1.00 14.30           N
+ATOM   3219  CA  THR C 137      -0.644  11.078   8.570  1.00 16.72           C
+ATOM   3220  C   THR C 137       0.600  12.250   8.229  1.00 20.27           C
+ATOM   3221  O   THR C 137       1.641  11.779   8.219  1.00 19.99           O
+ATOM   3222  CB  THR C 137      -0.616   9.898   7.452  1.00 21.82           C
+ATOM   3223  OG1 THR C 137      -0.747  10.397   6.348  1.00 20.00           O
+ATOM   3224  CG2 THR C 137      -1.429   8.802   8.131  1.00 20.00           C
+ATOM   3225  N   SER C 138       0.217  13.432   7.965  1.00 21.45           N
+ATOM   3226  CA  SER C 138       1.195  14.450   7.576  1.00 24.00           C
+ATOM   3227  C   SER C 138       2.427  14.664   8.641  1.00 26.98           C
+ATOM   3228  O   SER C 138       3.195  15.345   8.032  1.00 21.99           O
+ATOM   3229  CB  SER C 138       0.001  16.139   8.122  1.00 21.69           C
+ATOM   3230  OG  SER C 138       0.377  15.823   6.927  1.00 42.20           O
+ATOM   3231  N   LYS C 139       2.133  14.403   9.912  1.00 22.73           N
+ATOM   3232  CA  LYS C 139       3.191  14.934  10.883  1.00 27.59           C
+ATOM   3233  C   LYS C 139       3.975  13.581  11.372  1.00 19.22           C
+ATOM   3234  O   LYS C 139       4.646  13.643  12.389  1.00 14.35           O
+ATOM   3235  CB  LYS C 139       2.358  15.487  11.974  1.00 19.55           C
+ATOM   3236  CG  LYS C 139       2.071  17.001  11.340  1.00 22.79           C
+ATOM   3237  CD  LYS C 139       1.307  17.445  12.283  1.00 42.21           C
+ATOM   3238  CE  LYS C 139       1.086  19.324  11.798  1.00 36.26           C
+ATOM   3239  NZ  LYS C 139      -0.244  18.940  13.010  1.00 30.87           N
+ATOM   3240  N   TYR C 140       3.750  12.465  10.738  1.00 18.17           N
+ATOM   3241  CA  TYR C 140       4.409  11.291  11.242  1.00 17.49           C
+ATOM   3242  C   TYR C 140       5.879  11.300  11.241  1.00 19.10           C
+ATOM   3243  O   TYR C 140       6.366  10.507  12.197  1.00 22.35           O
+ATOM   3244  CB  TYR C 140       3.865  10.055  10.357  1.00 16.87           C
+ATOM   3245  CG  TYR C 140       2.674   9.300  10.891  1.00 12.61           C
+ATOM   3246  CD1 TYR C 140       2.521   8.093  11.003  1.00 19.13           C
+ATOM   3247  CD2 TYR C 140       1.410  10.025  11.225  1.00 16.63           C
+ATOM   3248  CE1 TYR C 140       1.365   7.496  11.459  1.00 21.26           C
+ATOM   3249  CE2 TYR C 140       0.269   9.420  11.748  1.00 17.45           C
+ATOM   3250  CZ  TYR C 140       0.153   8.203  11.775  1.00 14.84           C
+ATOM   3251  OH  TYR C 140      -0.838   7.429  12.277  1.00 15.53           O
+ATOM   3252  N   ARG C 141       6.450  11.994  10.246  1.00 20.34           N
+ATOM   3253  CA  ARG C 141       7.886  11.986  10.168  1.00 25.59           C
+ATOM   3254  C   ARG C 141       8.484  13.451   9.626  1.00 21.46           C
+ATOM   3255  O   ARG C 141       7.587  13.891   9.012  1.00 24.60           O
+ATOM   3256  CB  ARG C 141       8.511  10.698   9.627  1.00 27.67           C
+ATOM   3257  CG  ARG C 141       8.124  10.586   8.132  1.00 20.44           C
+ATOM   3258  CD  ARG C 141       8.972   9.192   7.851  1.00 27.35           C
+ATOM   3259  NE  ARG C 141       8.521   8.970   6.409  1.00 21.57           N
+ATOM   3260  CZ  ARG C 141       9.349   8.234   5.557  1.00 17.72           C
+ATOM   3261  NH1 ARG C 141      10.182   7.400   5.980  1.00 16.11           N
+ATOM   3262  NH2 ARG C 141       8.583   8.168   4.338  1.00 19.55           N
+ATOM   3263  OXT ARG C 141       9.695  13.488   9.645  1.00 22.97           O
+TER    3264      ARG C 141
+ATOM   3265  N   VAL D   1      -8.916 -20.986  -1.208  1.00 44.53           N
+ATOM   3266  CA  VAL D   1      -8.728 -19.973   0.230  1.00 40.54           C
+ATOM   3267  C   VAL D   1      -9.597 -21.119   1.649  1.00 54.57           C
+ATOM   3268  O   VAL D   1     -10.511 -21.747   0.927  1.00 46.03           O
+ATOM   3269  CB  VAL D   1      -9.741 -18.620   0.365  1.00 59.62           C
+ATOM   3270  CG1 VAL D   1      -8.976 -17.356  -0.533  1.00 56.25           C
+ATOM   3271  CG2 VAL D   1     -10.766 -18.689  -0.199  1.00 44.49           C
+ATOM   3272  N   HIS D   2      -9.359 -20.204   2.359  1.00 54.55           N
+ATOM   3273  CA  HIS D   2     -10.028 -20.478   3.617  1.00 76.16           C
+ATOM   3274  C   HIS D   2     -11.503 -19.997   4.189  1.00 40.79           C
+ATOM   3275  O   HIS D   2     -10.949 -18.900   5.117  1.00 42.23           O
+ATOM   3276  CB  HIS D   2      -8.550 -21.746   4.671  1.00 61.25           C
+ATOM   3277  CG  HIS D   2      -9.111 -22.384   5.289  1.00 73.35           C
+ATOM   3278  ND1 HIS D   2      -9.292 -20.744   7.139  1.00 63.32           N
+ATOM   3279  CD2 HIS D   2     -10.298 -23.586   6.052  1.00 68.03           C
+ATOM   3280  CE1 HIS D   2     -10.663 -21.227   8.362  1.00 55.48           C
+ATOM   3281  NE2 HIS D   2     -10.906 -22.743   7.235  1.00 54.14           N
+ATOM   3282  N   LEU D   3     -12.538 -20.903   4.013  1.00 31.51           N
+ATOM   3283  CA  LEU D   3     -13.638 -20.047   4.223  1.00 32.74           C
+ATOM   3284  C   LEU D   3     -13.624 -20.741   5.723  1.00 43.55           C
+ATOM   3285  O   LEU D   3     -14.592 -22.168   5.344  1.00 38.09           O
+ATOM   3286  CB  LEU D   3     -14.958 -19.886   3.451  1.00 39.97           C
+ATOM   3287  CG  LEU D   3     -14.306 -18.748   2.457  1.00 33.25           C
+ATOM   3288  CD1 LEU D   3     -15.545 -18.399   1.653  1.00 35.36           C
+ATOM   3289  CD2 LEU D   3     -14.311 -17.477   2.906  1.00 43.98           C
+ATOM   3290  N   THR D   4     -14.873 -20.575   6.573  1.00 40.52           N
+ATOM   3291  CA  THR D   4     -15.571 -21.118   7.446  1.00 35.01           C
+ATOM   3292  C   THR D   4     -16.965 -21.835   7.057  1.00 36.50           C
+ATOM   3293  O   THR D   4     -17.217 -21.032   5.924  1.00 26.93           O
+ATOM   3294  CB  THR D   4     -15.866 -20.187   8.979  1.00 42.32           C
+ATOM   3295  OG1 THR D   4     -16.874 -19.360   8.569  1.00 35.61           O
+ATOM   3296  CG2 THR D   4     -14.805 -19.826   9.491  1.00 41.74           C
+ATOM   3297  N   PRO D   5     -17.421 -22.638   7.348  1.00 38.01           N
+ATOM   3298  CA  PRO D   5     -18.819 -22.801   6.165  1.00 45.26           C
+ATOM   3299  C   PRO D   5     -19.967 -21.905   6.477  1.00 40.88           C
+ATOM   3300  O   PRO D   5     -20.833 -21.591   5.783  1.00 35.71           O
+ATOM   3301  CB  PRO D   5     -19.489 -24.074   7.971  1.00 80.12           C
+ATOM   3302  CG  PRO D   5     -18.622 -24.429   8.450  1.00 36.53           C
+ATOM   3303  CD  PRO D   5     -17.099 -23.867   8.283  1.00 38.83           C
+ATOM   3304  N   GLU D   6     -19.807 -20.993   7.524  1.00 38.95           N
+ATOM   3305  CA  GLU D   6     -20.826 -20.251   7.892  1.00 54.36           C
+ATOM   3306  C   GLU D   6     -20.257 -18.491   6.516  1.00 29.53           C
+ATOM   3307  O   GLU D   6     -21.186 -18.231   6.189  1.00 34.33           O
+ATOM   3308  CB  GLU D   6     -20.808 -19.128   9.200  1.00 67.37           C
+ATOM   3309  CG  GLU D   6     -20.143 -19.295   9.841  1.00 68.32           C
+ATOM   3310  CD  GLU D   6     -19.833 -20.908  10.929  1.00 80.07           C
+ATOM   3311  OE1 GLU D   6     -19.263 -21.552  10.554  1.00 62.33           O
+ATOM   3312  OE2 GLU D   6     -17.422 -20.947   9.979  1.00 75.27           O
+ATOM   3313  N   GLU D   7     -19.046 -18.647   6.494  1.00 32.30           N
+ATOM   3314  CA  GLU D   7     -18.571 -17.615   5.450  1.00 26.92           C
+ATOM   3315  C   GLU D   7     -19.016 -18.399   3.955  1.00 36.61           C
+ATOM   3316  O   GLU D   7     -19.572 -17.530   3.297  1.00 31.61           O
+ATOM   3317  CB  GLU D   7     -17.035 -17.606   5.380  1.00 22.74           C
+ATOM   3318  CG  GLU D   7     -16.644 -16.558   6.886  1.00 25.68           C
+ATOM   3319  CD  GLU D   7     -15.325 -16.832   6.956  1.00 21.07           C
+ATOM   3320  OE1 GLU D   7     -14.977 -15.445   7.269  1.00 41.17           O
+ATOM   3321  OE2 GLU D   7     -14.302 -17.526   6.337  1.00 26.19           O
+ATOM   3322  N   LYS D   8     -18.754 -19.547   3.890  1.00 24.35           N
+ATOM   3323  CA  LYS D   8     -19.098 -20.158   2.364  1.00 27.18           C
+ATOM   3324  C   LYS D   8     -20.384 -20.203   2.052  1.00 23.43           C
+ATOM   3325  O   LYS D   8     -21.074 -19.662   1.178  1.00 23.08           O
+ATOM   3326  CB  LYS D   8     -18.527 -21.857   2.829  1.00 28.41           C
+ATOM   3327  CG  LYS D   8     -18.698 -21.991   1.053  1.00 48.31           C
+ATOM   3328  CD  LYS D   8     -18.147 -23.072   0.880  1.00 69.34           C
+ATOM   3329  CE  LYS D   8     -18.957 -23.705  -0.872  1.00 38.29           C
+ATOM   3330  NZ  LYS D   8     -17.931 -25.269  -1.374  1.00 72.55           N
+ATOM   3331  N   SER D   9     -21.307 -20.301   3.110  1.00 21.45           N
+ATOM   3332  CA  SER D   9     -22.632 -20.010   2.800  1.00 23.49           C
+ATOM   3333  C   SER D   9     -23.050 -18.608   2.651  1.00 32.73           C
+ATOM   3334  O   SER D   9     -24.111 -18.558   1.973  1.00 27.24           O
+ATOM   3335  CB  SER D   9     -23.425 -20.879   3.815  1.00 48.80           C
+ATOM   3336  OG  SER D   9     -24.248 -20.636   4.597  1.00 54.12           O
+ATOM   3337  N   ALA D  10     -22.340 -17.847   3.521  1.00 26.97           N
+ATOM   3338  CA  ALA D  10     -23.067 -16.421   3.397  1.00 27.01           C
+ATOM   3339  C   ALA D  10     -22.551 -15.974   1.781  1.00 23.29           C
+ATOM   3340  O   ALA D  10     -23.475 -15.280   1.185  1.00 20.87           O
+ATOM   3341  CB  ALA D  10     -22.056 -15.660   3.934  1.00 28.42           C
+ATOM   3342  N   VAL D  11     -21.472 -16.449   1.276  1.00 31.33           N
+ATOM   3343  CA  VAL D  11     -21.016 -15.993  -0.163  1.00 25.10           C
+ATOM   3344  C   VAL D  11     -21.923 -16.557  -1.184  1.00 18.64           C
+ATOM   3345  O   VAL D  11     -22.347 -15.774  -1.949  1.00 19.73           O
+ATOM   3346  CB  VAL D  11     -19.580 -16.599  -0.312  1.00 18.52           C
+ATOM   3347  CG1 VAL D  11     -19.332 -16.430  -1.555  1.00 28.45           C
+ATOM   3348  CG2 VAL D  11     -18.563 -15.544   0.540  1.00 21.05           C
+ATOM   3349  N   THR D  12     -22.095 -17.881  -0.865  1.00 19.99           N
+ATOM   3350  CA  THR D  12     -23.012 -18.659  -2.043  1.00 26.25           C
+ATOM   3351  C   THR D  12     -24.298 -18.196  -1.973  1.00 24.29           C
+ATOM   3352  O   THR D  12     -25.087 -17.804  -3.054  1.00 26.52           O
+ATOM   3353  CB  THR D  12     -23.024 -20.432  -1.285  1.00 24.72           C
+ATOM   3354  OG1 THR D  12     -21.642 -20.629  -1.920  1.00 32.38           O
+ATOM   3355  CG2 THR D  12     -24.127 -20.769  -2.067  1.00 56.05           C
+ATOM   3356  N   ALA D  13     -24.939 -17.863  -0.966  1.00 25.46           N
+ATOM   3357  CA  ALA D  13     -26.249 -17.368  -0.697  1.00 25.21           C
+ATOM   3358  C   ALA D  13     -26.716 -16.016  -1.505  1.00 24.39           C
+ATOM   3359  O   ALA D  13     -27.502 -15.783  -2.239  1.00 27.12           O
+ATOM   3360  CB  ALA D  13     -26.840 -17.284   0.237  1.00 40.91           C
+ATOM   3361  N   LEU D  14     -25.588 -15.038  -1.202  1.00 21.51           N
+ATOM   3362  CA  LEU D  14     -25.805 -13.895  -1.844  1.00 19.28           C
+ATOM   3363  C   LEU D  14     -25.557 -13.900  -3.355  1.00 20.58           C
+ATOM   3364  O   LEU D  14     -26.325 -13.141  -4.012  1.00 19.87           O
+ATOM   3365  CB  LEU D  14     -24.748 -12.802  -1.037  1.00 18.39           C
+ATOM   3366  CG  LEU D  14     -24.944 -11.344  -1.539  1.00 32.12           C
+ATOM   3367  CD1 LEU D  14     -25.966 -10.962  -0.374  1.00 41.26           C
+ATOM   3368  CD2 LEU D  14     -23.927 -10.587  -1.223  1.00 34.27           C
+ATOM   3369  N   TRP D  15     -24.663 -14.787  -3.692  1.00 16.79           N
+ATOM   3370  CA  TRP D  15     -24.253 -14.609  -5.178  1.00 13.47           C
+ATOM   3371  C   TRP D  15     -25.414 -15.354  -5.958  1.00 22.23           C
+ATOM   3372  O   TRP D  15     -25.691 -14.922  -7.051  1.00 22.75           O
+ATOM   3373  CB  TRP D  15     -23.003 -15.504  -5.278  1.00 17.27           C
+ATOM   3374  CG  TRP D  15     -22.390 -15.264  -6.607  1.00 18.39           C
+ATOM   3375  CD1 TRP D  15     -22.417 -16.024  -7.714  1.00 29.85           C
+ATOM   3376  CD2 TRP D  15     -21.683 -13.937  -6.966  1.00 19.14           C
+ATOM   3377  NE1 TRP D  15     -21.775 -15.472  -8.770  1.00 25.67           N
+ATOM   3378  CE2 TRP D  15     -21.205 -14.132  -8.458  1.00 18.90           C
+ATOM   3379  CE3 TRP D  15     -21.251 -12.883  -6.227  1.00 24.35           C
+ATOM   3380  CZ2 TRP D  15     -20.568 -13.098  -9.104  1.00 22.83           C
+ATOM   3381  CZ3 TRP D  15     -20.364 -11.928  -6.894  1.00 24.62           C
+ATOM   3382  CH2 TRP D  15     -20.127 -12.198  -8.397  1.00 30.44           C
+ATOM   3383  N   GLY D  16     -26.279 -16.244  -5.358  1.00 23.06           N
+ATOM   3384  CA  GLY D  16     -27.474 -16.657  -6.225  1.00 23.16           C
+ATOM   3385  C   GLY D  16     -28.300 -15.570  -6.485  1.00 26.54           C
+ATOM   3386  O   GLY D  16     -29.203 -15.791  -7.472  1.00 26.11           O
+ATOM   3387  N   LYS D  17     -28.475 -14.360  -5.980  1.00 18.84           N
+ATOM   3388  CA  LYS D  17     -29.272 -13.270  -5.974  1.00 24.96           C
+ATOM   3389  C   LYS D  17     -29.000 -12.271  -6.961  1.00 22.00           C
+ATOM   3390  O   LYS D  17     -29.037 -11.079  -7.508  1.00 24.63           O
+ATOM   3391  CB  LYS D  17     -29.587 -12.449  -4.588  1.00 28.33           C
+ATOM   3392  CG  LYS D  17     -30.108 -13.362  -3.795  1.00 27.71           C
+ATOM   3393  CD  LYS D  17     -30.415 -12.422  -2.822  1.00 33.37           C
+ATOM   3394  CE  LYS D  17     -30.390 -12.386  -1.399  1.00 43.68           C
+ATOM   3395  NZ  LYS D  17     -31.873 -11.072  -1.369  1.00 36.22           N
+ATOM   3396  N   VAL D  18     -27.474 -12.385  -7.448  1.00 33.39           N
+ATOM   3397  CA  VAL D  18     -26.489 -11.309  -8.320  1.00 24.51           C
+ATOM   3398  C   VAL D  18     -27.096 -11.570  -9.917  1.00 27.24           C
+ATOM   3399  O   VAL D  18     -26.940 -12.785 -10.011  1.00 26.54           O
+ATOM   3400  CB  VAL D  18     -25.245 -11.428  -8.185  1.00 31.98           C
+ATOM   3401  CG1 VAL D  18     -24.320 -10.896  -8.917  1.00 31.25           C
+ATOM   3402  CG2 VAL D  18     -24.647 -11.020  -6.542  1.00 22.12           C
+ATOM   3403  N   ASN D  19     -27.428 -10.545 -10.401  1.00 25.81           N
+ATOM   3404  CA  ASN D  19     -27.299 -10.403 -11.802  1.00 27.55           C
+ATOM   3405  C   ASN D  19     -26.159 -10.452 -12.333  1.00 24.31           C
+ATOM   3406  O   ASN D  19     -25.632  -9.111 -12.336  1.00 20.67           O
+ATOM   3407  CB  ASN D  19     -28.399  -9.524 -12.285  1.00 40.49           C
+ATOM   3408  CG  ASN D  19     -28.856 -10.175 -13.808  1.00 44.62           C
+ATOM   3409  OD1 ASN D  19     -27.731  -9.601 -14.786  1.00 45.68           O
+ATOM   3410  ND2 ASN D  19     -29.658  -8.823 -14.484  1.00 50.78           N
+ATOM   3411  N   VAL D  20     -25.460 -11.215 -12.835  1.00 22.82           N
+ATOM   3412  CA  VAL D  20     -23.926 -10.940 -13.321  1.00 40.38           C
+ATOM   3413  C   VAL D  20     -23.628  -9.968 -13.933  1.00 37.93           C
+ATOM   3414  O   VAL D  20     -22.741  -9.105 -14.256  1.00 32.18           O
+ATOM   3415  CB  VAL D  20     -22.524 -12.140 -14.217  1.00 63.33           C
+ATOM   3416  CG1 VAL D  20     -23.373 -13.095 -12.306  1.00 34.72           C
+ATOM   3417  CG2 VAL D  20     -22.926 -12.781 -13.318  1.00 54.80           C
+ATOM   3418  N   ASP D  21     -24.469  -9.996 -15.091  1.00 36.66           N
+ATOM   3419  CA  ASP D  21     -24.588  -8.635 -15.872  1.00 54.12           C
+ATOM   3420  C   ASP D  21     -24.717  -7.685 -15.749  1.00 46.84           C
+ATOM   3421  O   ASP D  21     -23.610  -6.686 -15.937  1.00 32.53           O
+ATOM   3422  CB  ASP D  21     -25.603  -8.934 -17.011  1.00 60.03           C
+ATOM   3423  CG  ASP D  21     -25.523 -10.565 -17.717  1.00 75.30           C
+ATOM   3424  OD1 ASP D  21     -24.242 -11.481 -17.893  1.00 51.52           O
+ATOM   3425  OD2 ASP D  21     -25.948 -10.502 -18.826  1.00 64.70           O
+ATOM   3426  N   GLU D  22     -25.623  -7.162 -14.906  1.00 27.09           N
+ATOM   3427  CA  GLU D  22     -25.919  -5.886 -14.386  1.00 23.15           C
+ATOM   3428  C   GLU D  22     -24.427  -5.530 -13.395  1.00 19.08           C
+ATOM   3429  O   GLU D  22     -24.197  -4.407 -13.172  1.00 21.80           O
+ATOM   3430  CB  GLU D  22     -27.280  -5.934 -13.774  1.00 35.52           C
+ATOM   3431  CG  GLU D  22     -27.211  -5.635 -13.083  1.00 68.74           C
+ATOM   3432  CD  GLU D  22     -28.960  -4.398 -12.033  1.00 80.12           C
+ATOM   3433  OE1 GLU D  22     -29.624  -5.184 -11.024  1.00 61.13           O
+ATOM   3434  OE2 GLU D  22     -29.463  -4.100 -13.136  1.00 73.88           O
+ATOM   3435  N   VAL D  23     -24.426  -6.315 -12.392  1.00 20.94           N
+ATOM   3436  CA  VAL D  23     -23.348  -6.099 -11.326  1.00 17.82           C
+ATOM   3437  C   VAL D  23     -21.966  -6.004 -12.061  1.00 15.07           C
+ATOM   3438  O   VAL D  23     -21.155  -5.154 -11.664  1.00 21.11           O
+ATOM   3439  CB  VAL D  23     -23.341  -7.268 -10.216  1.00 18.64           C
+ATOM   3440  CG1 VAL D  23     -22.169  -7.160  -9.566  1.00 21.45           C
+ATOM   3441  CG2 VAL D  23     -24.676  -6.892  -9.537  1.00 21.02           C
+ATOM   3442  N   GLY D  24     -21.629  -6.780 -12.936  1.00 12.96           N
+ATOM   3443  CA  GLY D  24     -20.442  -6.846 -13.669  1.00 18.39           C
+ATOM   3444  C   GLY D  24     -20.261  -5.559 -14.312  1.00 16.60           C
+ATOM   3445  O   GLY D  24     -19.233  -4.768 -14.272  1.00 15.31           O
+ATOM   3446  N   GLY D  25     -21.132  -4.866 -15.117  1.00 17.32           N
+ATOM   3447  CA  GLY D  25     -21.127  -3.499 -15.792  1.00 16.45           C
+ATOM   3448  C   GLY D  25     -21.008  -2.525 -14.804  1.00 12.17           C
+ATOM   3449  O   GLY D  25     -20.114  -1.633 -15.055  1.00 21.20           O
+ATOM   3450  N   GLU D  26     -21.690  -2.622 -13.683  1.00 15.97           N
+ATOM   3451  CA  GLU D  26     -21.600  -1.628 -12.730  1.00 13.66           C
+ATOM   3452  C   GLU D  26     -20.044  -1.546 -12.031  1.00 11.75           C
+ATOM   3453  O   GLU D  26     -19.572  -0.450 -11.864  1.00 13.88           O
+ATOM   3454  CB  GLU D  26     -22.662  -1.686 -11.514  1.00 18.62           C
+ATOM   3455  CG  GLU D  26     -23.979   0.008 -11.890  1.00 39.81           C
+ATOM   3456  CD  GLU D  26     -22.700  -0.395 -10.542  1.00 31.77           C
+ATOM   3457  OE1 GLU D  26     -23.368   1.259 -10.392  1.00 34.99           O
+ATOM   3458  OE2 GLU D  26     -24.210  -0.810  -9.865  1.00 54.79           O
+ATOM   3459  N   ALA D  27     -19.673  -2.710 -11.707  1.00 12.60           N
+ATOM   3460  CA  ALA D  27     -18.269  -2.901 -11.078  1.00 17.85           C
+ATOM   3461  C   ALA D  27     -17.180  -2.341 -11.937  1.00 15.51           C
+ATOM   3462  O   ALA D  27     -16.331  -1.489 -11.550  1.00 14.90           O
+ATOM   3463  CB  ALA D  27     -18.048  -4.225 -10.534  1.00 15.58           C
+ATOM   3464  N   LEU D  28     -17.183  -2.729 -13.203  1.00 16.04           N
+ATOM   3465  CA  LEU D  28     -16.186  -2.309 -14.163  1.00 11.08           C
+ATOM   3466  C   LEU D  28     -16.248  -0.897 -14.292  1.00 13.51           C
+ATOM   3467  O   LEU D  28     -15.238  -0.124 -14.487  1.00 14.05           O
+ATOM   3468  CB  LEU D  28     -16.275  -3.066 -15.497  1.00 12.20           C
+ATOM   3469  CG  LEU D  28     -14.973  -2.764 -16.433  1.00 28.52           C
+ATOM   3470  CD1 LEU D  28     -13.779  -3.087 -15.679  1.00 36.95           C
+ATOM   3471  CD2 LEU D  28     -15.242  -3.401 -17.606  1.00 34.25           C
+ATOM   3472  N   GLY D  29     -17.518  -0.283 -14.622  1.00 12.33           N
+ATOM   3473  CA  GLY D  29     -17.751   1.088 -14.735  1.00 13.25           C
+ATOM   3474  C   GLY D  29     -17.136   1.954 -13.603  1.00 12.50           C
+ATOM   3475  O   GLY D  29     -16.531   3.012 -13.890  1.00 16.69           O
+ATOM   3476  N   ARG D  30     -17.539   1.491 -12.441  1.00 15.15           N
+ATOM   3477  CA  ARG D  30     -17.026   2.243 -11.337  1.00 17.77           C
+ATOM   3478  C   ARG D  30     -15.527   2.171 -11.160  1.00 14.35           C
+ATOM   3479  O   ARG D  30     -14.968   3.218 -10.798  1.00 14.59           O
+ATOM   3480  CB  ARG D  30     -17.892   1.792 -10.040  1.00 15.53           C
+ATOM   3481  CG  ARG D  30     -19.275   2.313  -9.820  1.00 16.65           C
+ATOM   3482  CD  ARG D  30     -19.931   1.839  -8.709  1.00 28.01           C
+ATOM   3483  NE  ARG D  30     -21.099   2.164  -8.522  1.00 23.10           N
+ATOM   3484  CZ  ARG D  30     -21.731   3.109  -7.922  1.00 16.06           C
+ATOM   3485  NH1 ARG D  30     -22.965   3.397  -7.723  1.00 17.46           N
+ATOM   3486  NH2 ARG D  30     -21.050   3.807  -6.871  1.00 10.32           N
+ATOM   3487  N   LEU D  31     -14.961   1.160 -11.442  1.00 15.53           N
+ATOM   3488  CA  LEU D  31     -13.554   1.103 -11.546  1.00 14.63           C
+ATOM   3489  C   LEU D  31     -12.894   2.305 -12.254  1.00 16.67           C
+ATOM   3490  O   LEU D  31     -11.964   2.890 -11.986  1.00 15.33           O
+ATOM   3491  CB  LEU D  31     -12.961  -0.342 -11.951  1.00 12.02           C
+ATOM   3492  CG  LEU D  31     -11.524  -0.502 -11.963  1.00 17.81           C
+ATOM   3493  CD1 LEU D  31     -10.867  -0.718 -10.607  1.00 18.94           C
+ATOM   3494  CD2 LEU D  31     -11.112  -1.549 -12.889  1.00 18.38           C
+ATOM   3495  N   LEU D  32     -13.461   2.265 -13.601  1.00  8.95           N
+ATOM   3496  CA  LEU D  32     -13.016   3.232 -14.475  1.00 13.61           C
+ATOM   3497  C   LEU D  32     -13.249   4.589 -14.109  1.00 13.07           C
+ATOM   3498  O   LEU D  32     -12.457   5.593 -14.562  1.00 15.98           O
+ATOM   3499  CB  LEU D  32     -13.512   2.944 -15.805  1.00 14.00           C
+ATOM   3500  CG  LEU D  32     -12.943   1.707 -16.403  1.00 23.55           C
+ATOM   3501  CD1 LEU D  32     -13.857   1.407 -17.761  1.00 25.80           C
+ATOM   3502  CD2 LEU D  32     -11.759   1.263 -16.551  1.00 26.67           C
+ATOM   3503  N   VAL D  33     -14.340   4.892 -13.280  1.00 13.83           N
+ATOM   3504  CA  VAL D  33     -14.717   6.296 -12.776  1.00 13.13           C
+ATOM   3505  C   VAL D  33     -13.702   6.655 -11.697  1.00 16.82           C
+ATOM   3506  O   VAL D  33     -13.288   7.735 -11.589  1.00 15.10           O
+ATOM   3507  CB  VAL D  33     -16.181   6.271 -12.468  1.00 11.59           C
+ATOM   3508  CG1 VAL D  33     -16.396   7.592 -11.833  1.00 21.42           C
+ATOM   3509  CG2 VAL D  33     -16.955   6.215 -13.830  1.00 18.60           C
+ATOM   3510  N   VAL D  34     -13.788   5.741 -10.696  1.00 12.61           N
+ATOM   3511  CA  VAL D  34     -13.205   6.102  -9.422  1.00 13.03           C
+ATOM   3512  C   VAL D  34     -11.709   6.268  -9.501  1.00 15.88           C
+ATOM   3513  O   VAL D  34     -11.074   6.862  -8.702  1.00 16.40           O
+ATOM   3514  CB  VAL D  34     -13.754   5.224  -8.226  1.00 15.07           C
+ATOM   3515  CG1 VAL D  34     -13.038   5.375  -6.973  1.00 13.90           C
+ATOM   3516  CG2 VAL D  34     -15.220   5.422  -8.063  1.00 18.23           C
+ATOM   3517  N   TYR D  35     -11.136   5.248 -10.266  1.00 11.62           N
+ATOM   3518  CA  TYR D  35      -9.629   5.095 -10.409  1.00 14.47           C
+ATOM   3519  C   TYR D  35      -9.420   5.204 -11.973  1.00 16.31           C
+ATOM   3520  O   TYR D  35      -9.060   4.177 -12.606  1.00 17.14           O
+ATOM   3521  CB  TYR D  35      -9.241   3.705  -9.961  1.00 14.04           C
+ATOM   3522  CG  TYR D  35      -9.664   3.371  -8.620  1.00 16.50           C
+ATOM   3523  CD1 TYR D  35      -9.076   4.102  -7.605  1.00 16.28           C
+ATOM   3524  CD2 TYR D  35     -10.520   2.540  -8.304  1.00 21.92           C
+ATOM   3525  CE1 TYR D  35      -9.315   3.966  -6.162  1.00 18.51           C
+ATOM   3526  CE2 TYR D  35     -10.873   2.362  -6.966  1.00 25.13           C
+ATOM   3527  CZ  TYR D  35     -10.254   3.015  -5.920  1.00 19.91           C
+ATOM   3528  OH  TYR D  35     -10.861   2.820  -4.629  1.00 21.91           O
+ATOM   3529  N   PRO D  36      -9.392   6.463 -12.417  1.00 14.59           N
+ATOM   3530  CA  PRO D  36      -9.346   6.600 -14.037  1.00 16.73           C
+ATOM   3531  C   PRO D  36      -8.099   6.185 -14.723  1.00 13.23           C
+ATOM   3532  O   PRO D  36      -8.183   5.907 -15.944  1.00 15.17           O
+ATOM   3533  CB  PRO D  36      -9.750   8.096 -14.119  1.00 24.30           C
+ATOM   3534  CG  PRO D  36      -9.458   8.680 -12.746  1.00 25.67           C
+ATOM   3535  CD  PRO D  36      -9.575   7.632 -11.872  1.00 17.58           C
+ATOM   3536  N   TRP D  37      -6.974   5.929 -13.940  1.00 13.75           N
+ATOM   3537  CA  TRP D  37      -5.897   5.496 -14.615  1.00 15.13           C
+ATOM   3538  C   TRP D  37      -5.961   4.094 -15.089  1.00 14.32           C
+ATOM   3539  O   TRP D  37      -5.292   3.617 -16.098  1.00 19.70           O
+ATOM   3540  CB  TRP D  37      -4.642   5.522 -13.687  1.00 13.13           C
+ATOM   3541  CG  TRP D  37      -4.793   4.873 -12.298  1.00  8.65           C
+ATOM   3542  CD1 TRP D  37      -4.494   3.633 -11.929  1.00 13.10           C
+ATOM   3543  CD2 TRP D  37      -5.201   5.532 -10.999  1.00 14.59           C
+ATOM   3544  NE1 TRP D  37      -4.604   3.407 -10.644  1.00 17.65           N
+ATOM   3545  CE2 TRP D  37      -5.232   4.530 -10.117  1.00 16.05           C
+ATOM   3546  CE3 TRP D  37      -5.786   6.762 -10.728  1.00 11.20           C
+ATOM   3547  CZ2 TRP D  37      -5.541   4.775  -8.606  1.00 26.88           C
+ATOM   3548  CZ3 TRP D  37      -6.287   7.021  -9.443  1.00 11.28           C
+ATOM   3549  CH2 TRP D  37      -5.996   6.001  -8.551  1.00 16.90           C
+ATOM   3550  N   THR D  38      -6.984   3.333 -14.581  1.00 16.64           N
+ATOM   3551  CA  THR D  38      -7.362   1.995 -14.995  1.00 14.14           C
+ATOM   3552  C   THR D  38      -7.792   2.033 -16.539  1.00 18.16           C
+ATOM   3553  O   THR D  38      -7.920   0.930 -17.161  1.00 16.15           O
+ATOM   3554  CB  THR D  38      -8.440   1.318 -14.155  1.00 11.09           C
+ATOM   3555  OG1 THR D  38      -9.618   2.008 -14.130  1.00 14.48           O
+ATOM   3556  CG2 THR D  38      -7.730   1.043 -12.892  1.00 16.14           C
+ATOM   3557  N   GLN D  39      -8.345   3.275 -16.962  1.00 12.07           N
+ATOM   3558  CA  GLN D  39      -8.833   3.256 -18.352  1.00 10.72           C
+ATOM   3559  C   GLN D  39      -7.732   3.116 -19.349  1.00 16.84           C
+ATOM   3560  O   GLN D  39      -7.933   2.801 -20.471  1.00 21.52           O
+ATOM   3561  CB  GLN D  39      -9.205   4.786 -18.517  1.00 13.63           C
+ATOM   3562  CG  GLN D  39     -10.419   4.929 -17.639  1.00 17.04           C
+ATOM   3563  CD  GLN D  39     -10.861   6.282 -17.855  1.00 23.47           C
+ATOM   3564  OE1 GLN D  39     -10.432   7.200 -18.833  1.00 25.04           O
+ATOM   3565  NE2 GLN D  39     -11.740   6.840 -16.888  1.00 28.38           N
+ATOM   3566  N   ARG D  40      -6.331   2.999 -19.002  1.00 12.32           N
+ATOM   3567  CA  ARG D  40      -5.095   2.844 -19.730  1.00 16.79           C
+ATOM   3568  C   ARG D  40      -5.433   1.605 -20.411  1.00 17.58           C
+ATOM   3569  O   ARG D  40      -4.682   1.315 -21.633  1.00 20.86           O
+ATOM   3570  CB  ARG D  40      -3.966   2.461 -18.813  1.00 22.83           C
+ATOM   3571  CG  ARG D  40      -3.694   1.460 -18.189  1.00 37.26           C
+ATOM   3572  CD  ARG D  40      -2.418   1.834 -17.304  1.00 23.75           C
+ATOM   3573  NE  ARG D  40      -1.279   2.091 -17.831  1.00 28.71           N
+ATOM   3574  CZ  ARG D  40      -0.609   1.176 -18.760  1.00 41.77           C
+ATOM   3575  NH1 ARG D  40      -0.700   0.067 -18.486  1.00 31.05           N
+ATOM   3576  NH2 ARG D  40       0.625   1.911 -19.038  1.00 37.79           N
+ATOM   3577  N   PHE D  41      -6.207   0.540 -20.107  1.00 15.17           N
+ATOM   3578  CA  PHE D  41      -6.336  -0.770 -20.711  1.00 16.55           C
+ATOM   3579  C   PHE D  41      -7.612  -0.691 -21.880  1.00 20.00           C
+ATOM   3580  O   PHE D  41      -7.651  -1.868 -22.265  1.00 23.52           O
+ATOM   3581  CB  PHE D  41      -6.568  -1.995 -19.811  1.00 13.75           C
+ATOM   3582  CG  PHE D  41      -5.344  -2.033 -18.714  1.00 12.41           C
+ATOM   3583  CD1 PHE D  41      -5.592  -1.379 -17.449  1.00 16.97           C
+ATOM   3584  CD2 PHE D  41      -4.233  -2.496 -19.084  1.00 18.05           C
+ATOM   3585  CE1 PHE D  41      -4.371  -1.693 -16.818  1.00 23.07           C
+ATOM   3586  CE2 PHE D  41      -3.008  -2.505 -18.298  1.00 24.82           C
+ATOM   3587  CZ  PHE D  41      -3.359  -2.006 -17.025  1.00 25.09           C
+ATOM   3588  N   PHE D  42      -8.192   0.386 -21.832  1.00 15.21           N
+ATOM   3589  CA  PHE D  42      -9.461   0.148 -22.436  1.00 14.18           C
+ATOM   3590  C   PHE D  42      -9.645   1.104 -23.586  1.00 19.41           C
+ATOM   3591  O   PHE D  42     -10.690   1.871 -23.828  1.00 18.71           O
+ATOM   3592  CB  PHE D  42     -10.613   0.298 -21.592  1.00 21.58           C
+ATOM   3593  CG  PHE D  42     -10.602  -1.034 -20.710  1.00 17.63           C
+ATOM   3594  CD1 PHE D  42     -10.145  -0.545 -19.164  1.00 20.37           C
+ATOM   3595  CD2 PHE D  42     -11.012  -2.318 -21.048  1.00 20.14           C
+ATOM   3596  CE1 PHE D  42     -10.225  -1.848 -18.434  1.00 27.02           C
+ATOM   3597  CE2 PHE D  42     -10.887  -3.301 -20.223  1.00 27.08           C
+ATOM   3598  CZ  PHE D  42     -10.474  -2.972 -18.757  1.00 18.28           C
+ATOM   3599  N   GLU D  43      -8.375   1.400 -24.058  1.00 32.32           N
+ATOM   3600  CA  GLU D  43      -8.561   2.747 -24.914  1.00 33.61           C
+ATOM   3601  C   GLU D  43      -9.574   2.656 -26.563  1.00 12.75           C
+ATOM   3602  O   GLU D  43      -9.904   3.604 -26.926  1.00 26.94           O
+ATOM   3603  CB  GLU D  43      -7.590   2.897 -25.572  1.00 65.31           C
+ATOM   3604  CG  GLU D  43      -6.882   2.859 -25.890  1.00 43.00           C
+ATOM   3605  CD  GLU D  43      -6.060   4.011 -24.596  1.00 32.00           C
+ATOM   3606  OE1 GLU D  43      -6.764   5.450 -24.611  1.00 29.89           O
+ATOM   3607  OE2 GLU D  43      -4.721   4.728 -24.142  1.00 58.55           O
+ATOM   3608  N   SER D  44      -9.605   1.289 -26.702  1.00 19.02           N
+ATOM   3609  CA  SER D  44     -10.333   0.707 -27.924  1.00 25.67           C
+ATOM   3610  C   SER D  44     -11.604   0.898 -27.554  1.00 26.66           C
+ATOM   3611  O   SER D  44     -12.646   0.619 -28.203  1.00 32.13           O
+ATOM   3612  CB  SER D  44     -10.139  -0.585 -28.237  1.00 42.87           C
+ATOM   3613  OG  SER D  44     -10.504  -1.572 -27.556  1.00 44.29           O
+ATOM   3614  N   PHE D  45     -12.328   1.230 -26.297  1.00 27.34           N
+ATOM   3615  CA  PHE D  45     -13.753   1.140 -25.852  1.00 24.93           C
+ATOM   3616  C   PHE D  45     -14.575   2.593 -26.282  1.00 23.30           C
+ATOM   3617  O   PHE D  45     -15.815   2.187 -25.861  1.00 31.71           O
+ATOM   3618  CB  PHE D  45     -13.703   0.919 -24.328  1.00 26.07           C
+ATOM   3619  CG  PHE D  45     -13.645  -0.527 -24.075  1.00 19.10           C
+ATOM   3620  CD1 PHE D  45     -14.209  -0.901 -22.815  1.00 43.96           C
+ATOM   3621  CD2 PHE D  45     -13.155  -1.495 -24.645  1.00 26.17           C
+ATOM   3622  CE1 PHE D  45     -14.066  -2.469 -22.506  1.00 29.49           C
+ATOM   3623  CE2 PHE D  45     -12.912  -2.782 -24.307  1.00 32.75           C
+ATOM   3624  CZ  PHE D  45     -13.459  -3.397 -23.316  1.00 28.04           C
+ATOM   3625  N   GLY D  46     -14.104   3.279 -26.525  1.00 35.08           N
+ATOM   3626  CA  GLY D  46     -14.935   4.262 -26.788  1.00 34.51           C
+ATOM   3627  C   GLY D  46     -15.024   5.841 -25.884  1.00 32.00           C
+ATOM   3628  O   GLY D  46     -13.703   5.710 -25.436  1.00 42.65           O
+ATOM   3629  N   ASP D  47     -16.270   6.088 -25.501  1.00 33.75           N
+ATOM   3630  CA  ASP D  47     -15.315   7.928 -25.257  1.00 43.29           C
+ATOM   3631  C   ASP D  47     -15.918   7.002 -23.097  1.00 24.69           C
+ATOM   3632  O   ASP D  47     -17.090   6.340 -23.091  1.00 33.08           O
+ATOM   3633  CB  ASP D  47     -17.246   8.111 -25.348  1.00 48.49           C
+ATOM   3634  CG  ASP D  47     -17.316   9.636 -24.481  1.00 50.77           C
+ATOM   3635  OD1 ASP D  47     -18.624   9.821 -24.553  1.00 57.75           O
+ATOM   3636  OD2 ASP D  47     -16.233  10.163 -24.247  1.00 45.03           O
+ATOM   3637  N   LEU D  48     -14.887   7.498 -22.782  1.00 25.73           N
+ATOM   3638  CA  LEU D  48     -14.700   7.013 -21.145  1.00 29.97           C
+ATOM   3639  C   LEU D  48     -14.723   8.417 -20.213  1.00 32.06           C
+ATOM   3640  O   LEU D  48     -13.912   8.444 -19.219  1.00 36.43           O
+ATOM   3641  CB  LEU D  48     -13.472   6.468 -21.109  1.00 41.80           C
+ATOM   3642  CG  LEU D  48     -13.862   5.004 -21.634  1.00 22.03           C
+ATOM   3643  CD1 LEU D  48     -12.363   4.146 -21.342  1.00 37.56           C
+ATOM   3644  CD2 LEU D  48     -15.085   4.189 -21.243  1.00 29.67           C
+ATOM   3645  N   SER D  49     -15.191   9.523 -21.130  1.00 38.40           N
+ATOM   3646  CA  SER D  49     -14.387  10.788 -20.677  1.00 43.30           C
+ATOM   3647  C   SER D  49     -15.473  11.721 -19.486  1.00 46.97           C
+ATOM   3648  O   SER D  49     -14.763  12.145 -18.356  1.00 46.32           O
+ATOM   3649  CB  SER D  49     -14.644  11.939 -21.771  1.00 47.25           C
+ATOM   3650  OG  SER D  49     -16.017  12.123 -22.081  1.00 49.74           O
+ATOM   3651  N   THR D  50     -16.621  11.041 -19.530  1.00 43.91           N
+ATOM   3652  CA  THR D  50     -16.855  11.313 -17.860  1.00 36.95           C
+ATOM   3653  C   THR D  50     -18.023  10.172 -17.341  1.00 36.10           C
+ATOM   3654  O   THR D  50     -18.171   9.157 -18.076  1.00 28.99           O
+ATOM   3655  CB  THR D  50     -18.590  12.293 -18.547  1.00 37.26           C
+ATOM   3656  OG1 THR D  50     -19.750  11.618 -19.297  1.00 36.38           O
+ATOM   3657  CG2 THR D  50     -18.025  13.508 -19.178  1.00 56.40           C
+ATOM   3658  N   PRO D  51     -18.501  10.284 -16.193  1.00 37.42           N
+ATOM   3659  CA  PRO D  51     -19.225   9.303 -15.560  1.00 32.59           C
+ATOM   3660  C   PRO D  51     -20.269   8.625 -16.174  1.00 29.25           C
+ATOM   3661  O   PRO D  51     -20.632   7.313 -16.333  1.00 26.15           O
+ATOM   3662  CB  PRO D  51     -19.687   9.933 -14.153  1.00 37.41           C
+ATOM   3663  CG  PRO D  51     -18.587  10.776 -13.939  1.00 36.57           C
+ATOM   3664  CD  PRO D  51     -18.147  11.586 -15.357  1.00 42.54           C
+ATOM   3665  N   ASP D  52     -21.166   9.545 -16.896  1.00 30.65           N
+ATOM   3666  CA  ASP D  52     -22.575   8.738 -17.587  1.00 39.40           C
+ATOM   3667  C   ASP D  52     -21.861   8.056 -18.864  1.00 56.69           C
+ATOM   3668  O   ASP D  52     -22.611   7.193 -19.113  1.00 40.69           O
+ATOM   3669  CB  ASP D  52     -23.192  10.048 -17.807  1.00 43.19           C
+ATOM   3670  CG  ASP D  52     -24.003  11.080 -16.646  1.00 63.04           C
+ATOM   3671  OD1 ASP D  52     -23.975  10.324 -15.803  1.00 49.71           O
+ATOM   3672  OD2 ASP D  52     -21.902  12.263 -16.248  1.00 60.40           O
+ATOM   3673  N   ALA D  53     -21.035   8.713 -19.489  1.00 26.05           N
+ATOM   3674  CA  ALA D  53     -20.460   8.256 -20.648  1.00 33.75           C
+ATOM   3675  C   ALA D  53     -19.850   6.612 -20.478  1.00 42.76           C
+ATOM   3676  O   ALA D  53     -20.052   5.785 -20.744  1.00 38.58           O
+ATOM   3677  CB  ALA D  53     -19.424   8.739 -21.252  1.00 40.18           C
+ATOM   3678  N   VAL D  54     -18.829   6.696 -19.306  1.00 27.10           N
+ATOM   3679  CA  VAL D  54     -18.358   5.224 -18.836  1.00 25.12           C
+ATOM   3680  C   VAL D  54     -19.446   4.410 -18.467  1.00 26.50           C
+ATOM   3681  O   VAL D  54     -19.614   3.128 -18.953  1.00 24.76           O
+ATOM   3682  CB  VAL D  54     -17.388   5.607 -17.705  1.00 26.67           C
+ATOM   3683  CG1 VAL D  54     -17.066   4.042 -17.246  1.00 25.19           C
+ATOM   3684  CG2 VAL D  54     -16.359   6.289 -17.975  1.00 31.48           C
+ATOM   3685  N   MET D  55     -20.628   4.739 -17.700  1.00 25.87           N
+ATOM   3686  CA  MET D  55     -21.589   3.767 -17.229  1.00 29.84           C
+ATOM   3687  C   MET D  55     -22.865   3.307 -18.556  1.00 35.52           C
+ATOM   3688  O   MET D  55     -23.112   2.208 -18.285  1.00 32.07           O
+ATOM   3689  CB  MET D  55     -22.456   4.472 -15.982  1.00 26.28           C
+ATOM   3690  CG  MET D  55     -21.631   4.626 -15.056  1.00 36.16           C
+ATOM   3691  SD  MET D  55     -20.389   3.558 -14.111  1.00 25.36           S
+ATOM   3692  CE  MET D  55     -21.479   2.431 -13.702  1.00 19.21           C
+ATOM   3693  N   GLY D  56     -22.639   4.442 -19.311  1.00 30.97           N
+ATOM   3694  CA  GLY D  56     -23.658   3.737 -20.126  1.00 35.09           C
+ATOM   3695  C   GLY D  56     -22.967   3.067 -21.283  1.00 44.75           C
+ATOM   3696  O   GLY D  56     -23.331   2.815 -22.514  1.00 34.49           O
+ATOM   3697  N   ASN D  57     -21.558   3.094 -21.617  1.00 25.90           N
+ATOM   3698  CA  ASN D  57     -20.747   2.578 -22.658  1.00 29.86           C
+ATOM   3699  C   ASN D  57     -21.034   1.130 -22.652  1.00 26.15           C
+ATOM   3700  O   ASN D  57     -20.989   0.128 -21.968  1.00 26.55           O
+ATOM   3701  CB  ASN D  57     -19.324   2.902 -22.444  1.00 30.42           C
+ATOM   3702  CG  ASN D  57     -18.502   2.332 -23.503  1.00 23.49           C
+ATOM   3703  OD1 ASN D  57     -18.423   1.194 -24.009  1.00 31.02           O
+ATOM   3704  ND2 ASN D  57     -17.712   3.179 -23.808  1.00 27.30           N
+ATOM   3705  N   PRO D  58     -21.467   0.671 -23.926  1.00 29.25           N
+ATOM   3706  CA  PRO D  58     -21.926  -0.726 -24.096  1.00 25.97           C
+ATOM   3707  C   PRO D  58     -20.503  -1.629 -24.124  1.00 16.05           C
+ATOM   3708  O   PRO D  58     -20.837  -2.940 -23.655  1.00 24.61           O
+ATOM   3709  CB  PRO D  58     -22.522  -0.927 -25.620  1.00 33.18           C
+ATOM   3710  CG  PRO D  58     -21.947   0.977 -25.418  1.00 59.49           C
+ATOM   3711  CD  PRO D  58     -21.892   1.180 -25.502  1.00 43.36           C
+ATOM   3712  N   LYS D  59     -19.460  -1.283 -24.501  1.00 21.03           N
+ATOM   3713  CA  LYS D  59     -18.361  -2.042 -24.450  1.00 25.38           C
+ATOM   3714  C   LYS D  59     -17.715  -2.407 -22.856  1.00 17.84           C
+ATOM   3715  O   LYS D  59     -17.308  -3.569 -22.731  1.00 21.39           O
+ATOM   3716  CB  LYS D  59     -17.227  -1.661 -25.270  1.00 32.15           C
+ATOM   3717  CG  LYS D  59     -17.383  -1.768 -26.732  1.00 48.59           C
+ATOM   3718  CD  LYS D  59     -16.823  -1.145 -27.228  1.00 53.12           C
+ATOM   3719  CE  LYS D  59     -15.877  -1.703 -28.754  1.00 53.54           C
+ATOM   3720  NZ  LYS D  59     -16.728  -0.847 -29.838  1.00 62.98           N
+ATOM   3721  N   VAL D  60     -18.099  -1.250 -22.201  1.00 18.98           N
+ATOM   3722  CA  VAL D  60     -17.893  -1.490 -20.566  1.00 19.06           C
+ATOM   3723  C   VAL D  60     -18.582  -2.535 -20.118  1.00 17.34           C
+ATOM   3724  O   VAL D  60     -18.311  -3.436 -19.262  1.00 23.46           O
+ATOM   3725  CB  VAL D  60     -17.740  -0.068 -19.973  1.00 21.26           C
+ATOM   3726  CG1 VAL D  60     -17.894  -0.452 -18.381  1.00 33.14           C
+ATOM   3727  CG2 VAL D  60     -16.838   0.852 -20.547  1.00 22.06           C
+ATOM   3728  N   LYS D  61     -20.037  -2.374 -20.306  1.00 22.59           N
+ATOM   3729  CA  LYS D  61     -21.055  -3.383 -19.935  1.00 26.15           C
+ATOM   3730  C   LYS D  61     -20.810  -4.741 -20.319  1.00 17.30           C
+ATOM   3731  O   LYS D  61     -20.683  -5.728 -19.595  1.00 21.45           O
+ATOM   3732  CB  LYS D  61     -22.507  -2.996 -20.257  1.00 26.85           C
+ATOM   3733  CG  LYS D  61     -22.914  -1.601 -19.668  1.00 38.21           C
+ATOM   3734  CD  LYS D  61     -23.980  -1.298 -20.293  1.00 63.66           C
+ATOM   3735  CE  LYS D  61     -25.073  -0.202 -19.530  1.00 68.06           C
+ATOM   3736  NZ  LYS D  61     -26.116   0.022 -20.150  1.00 60.84           N
+ATOM   3737  N   ALA D  62     -20.349  -4.906 -21.599  1.00 19.16           N
+ATOM   3738  CA  ALA D  62     -20.005  -6.284 -22.177  1.00 20.58           C
+ATOM   3739  C   ALA D  62     -18.862  -7.045 -21.486  1.00 20.27           C
+ATOM   3740  O   ALA D  62     -18.872  -8.142 -21.107  1.00 20.37           O
+ATOM   3741  CB  ALA D  62     -19.803  -6.090 -23.619  1.00 22.88           C
+ATOM   3742  N   HIS D  63     -17.847  -6.087 -21.291  1.00 19.01           N
+ATOM   3743  CA  HIS D  63     -16.655  -6.703 -20.657  1.00 22.19           C
+ATOM   3744  C   HIS D  63     -16.866  -6.900 -19.133  1.00 18.77           C
+ATOM   3745  O   HIS D  63     -16.263  -7.930 -18.702  1.00 19.91           O
+ATOM   3746  CB  HIS D  63     -15.613  -5.996 -20.822  1.00 33.38           C
+ATOM   3747  CG  HIS D  63     -13.969  -6.285 -20.598  1.00 22.34           C
+ATOM   3748  ND1 HIS D  63     -13.645  -7.369 -21.205  1.00 25.81           N
+ATOM   3749  CD2 HIS D  63     -13.423  -5.898 -19.324  1.00 33.81           C
+ATOM   3750  CE1 HIS D  63     -12.413  -7.623 -20.166  1.00 24.99           C
+ATOM   3751  NE2 HIS D  63     -12.303  -6.521 -19.735  1.00 32.42           N
+ATOM   3752  N   GLY D  64     -17.554  -5.957 -18.637  1.00 15.38           N
+ATOM   3753  CA  GLY D  64     -17.922  -6.237 -17.300  1.00 18.66           C
+ATOM   3754  C   GLY D  64     -18.656  -7.558 -16.822  1.00 23.30           C
+ATOM   3755  O   GLY D  64     -18.361  -8.374 -16.052  1.00 21.27           O
+ATOM   3756  N   LYS D  65     -19.546  -7.946 -17.963  1.00 22.12           N
+ATOM   3757  CA  LYS D  65     -20.149  -9.350 -17.810  1.00 26.40           C
+ATOM   3758  C   LYS D  65     -19.206 -10.475 -18.054  1.00 25.29           C
+ATOM   3759  O   LYS D  65     -19.376 -11.449 -17.320  1.00 24.58           O
+ATOM   3760  CB  LYS D  65     -21.237  -9.249 -19.016  1.00 42.10           C
+ATOM   3761  CG  LYS D  65     -21.741 -10.662 -18.763  1.00 41.04           C
+ATOM   3762  CD  LYS D  65     -22.779 -10.191 -20.722  1.00 41.66           C
+ATOM   3763  CE  LYS D  65     -22.954 -12.381 -20.558  1.00 58.61           C
+ATOM   3764  NZ  LYS D  65     -24.294 -12.168 -21.421  1.00 49.59           N
+ATOM   3765  N   LYS D  66     -18.192 -10.318 -18.949  1.00 22.59           N
+ATOM   3766  CA  LYS D  66     -17.187 -11.342 -19.305  1.00 23.91           C
+ATOM   3767  C   LYS D  66     -16.648 -11.569 -17.853  1.00 25.32           C
+ATOM   3768  O   LYS D  66     -16.190 -12.713 -17.500  1.00 23.23           O
+ATOM   3769  CB  LYS D  66     -16.360 -10.927 -20.397  1.00 18.18           C
+ATOM   3770  CG  LYS D  66     -15.506 -11.226 -21.025  1.00 49.93           C
+ATOM   3771  CD  LYS D  66     -15.452 -11.136 -23.086  1.00 31.44           C
+ATOM   3772  CE  LYS D  66     -14.594 -13.236 -23.101  1.00 50.83           C
+ATOM   3773  NZ  LYS D  66     -13.105 -13.073 -24.350  1.00 53.30           N
+ATOM   3774  N   VAL D  67     -16.012 -10.379 -17.238  1.00 17.89           N
+ATOM   3775  CA  VAL D  67     -15.129 -10.761 -16.039  1.00 17.07           C
+ATOM   3776  C   VAL D  67     -15.858 -11.174 -14.995  1.00 11.37           C
+ATOM   3777  O   VAL D  67     -15.392 -12.090 -14.267  1.00 18.26           O
+ATOM   3778  CB  VAL D  67     -14.485  -9.126 -15.950  1.00 18.16           C
+ATOM   3779  CG1 VAL D  67     -14.204  -9.183 -14.372  1.00 22.61           C
+ATOM   3780  CG2 VAL D  67     -13.683  -8.637 -17.078  1.00 19.30           C
+ATOM   3781  N   LEU D  68     -17.081 -10.772 -14.714  1.00 12.24           N
+ATOM   3782  CA  LEU D  68     -17.709 -11.246 -13.544  1.00 14.83           C
+ATOM   3783  C   LEU D  68     -18.294 -12.710 -13.662  1.00 13.25           C
+ATOM   3784  O   LEU D  68     -18.430 -13.575 -12.845  1.00 18.25           O
+ATOM   3785  CB  LEU D  68     -18.960 -10.522 -12.977  1.00 23.35           C
+ATOM   3786  CG  LEU D  68     -19.065  -9.950 -11.782  1.00 32.52           C
+ATOM   3787  CD1 LEU D  68     -18.211 -10.021 -10.888  1.00 40.78           C
+ATOM   3788  CD2 LEU D  68     -20.119  -9.201 -11.516  1.00 39.22           C
+ATOM   3789  N   GLY D  69     -18.532 -13.001 -15.044  1.00 22.38           N
+ATOM   3790  CA  GLY D  69     -18.677 -14.387 -15.364  1.00 27.48           C
+ATOM   3791  C   GLY D  69     -17.639 -15.482 -15.016  1.00 17.57           C
+ATOM   3792  O   GLY D  69     -17.849 -16.416 -14.366  1.00 21.01           O
+ATOM   3793  N   ALA D  70     -16.381 -14.966 -15.333  1.00 17.61           N
+ATOM   3794  CA  ALA D  70     -15.237 -15.816 -14.969  1.00 17.42           C
+ATOM   3795  C   ALA D  70     -15.098 -15.818 -13.537  1.00 19.59           C
+ATOM   3796  O   ALA D  70     -14.642 -16.873 -12.761  1.00 18.72           O
+ATOM   3797  CB  ALA D  70     -14.109 -15.221 -15.702  1.00 18.83           C
+ATOM   3798  N   PHE D  71     -15.369 -14.689 -12.922  1.00 18.97           N
+ATOM   3799  CA  PHE D  71     -15.352 -14.546 -11.295  1.00 24.55           C
+ATOM   3800  C   PHE D  71     -16.405 -15.564 -10.716  1.00 22.73           C
+ATOM   3801  O   PHE D  71     -15.988 -16.296  -9.916  1.00 26.00           O
+ATOM   3802  CB  PHE D  71     -15.526 -13.076 -10.943  1.00 18.78           C
+ATOM   3803  CG  PHE D  71     -15.587 -12.889  -9.418  1.00 15.63           C
+ATOM   3804  CD1 PHE D  71     -14.330 -12.356  -8.913  1.00 23.81           C
+ATOM   3805  CD2 PHE D  71     -16.955 -13.108  -8.941  1.00 34.86           C
+ATOM   3806  CE1 PHE D  71     -14.431 -12.324  -7.507  1.00 19.91           C
+ATOM   3807  CE2 PHE D  71     -16.645 -13.000  -7.472  1.00 36.36           C
+ATOM   3808  CZ  PHE D  71     -15.423 -12.584  -6.796  1.00 26.08           C
+ATOM   3809  N   SER D  72     -17.526 -15.632 -11.448  1.00 19.94           N
+ATOM   3810  CA  SER D  72     -18.560 -16.484 -11.205  1.00 23.38           C
+ATOM   3811  C   SER D  72     -18.098 -17.836 -10.814  1.00 24.72           C
+ATOM   3812  O   SER D  72     -18.305 -18.802  -9.908  1.00 26.53           O
+ATOM   3813  CB  SER D  72     -20.212 -16.588 -11.400  1.00 29.23           C
+ATOM   3814  OG  SER D  72     -20.268 -15.282 -11.624  1.00 41.11           O
+ATOM   3815  N   ASP D  73     -17.601 -18.307 -12.047  1.00 28.33           N
+ATOM   3816  CA  ASP D  73     -16.810 -19.464 -12.087  1.00 41.54           C
+ATOM   3817  C   ASP D  73     -16.106 -20.105 -11.342  1.00 28.94           C
+ATOM   3818  O   ASP D  73     -15.997 -21.061 -10.645  1.00 34.21           O
+ATOM   3819  CB  ASP D  73     -16.190 -20.100 -13.720  1.00 46.96           C
+ATOM   3820  CG  ASP D  73     -17.426 -20.027 -14.053  1.00 54.92           C
+ATOM   3821  OD1 ASP D  73     -18.701 -19.481 -14.810  1.00 44.49           O
+ATOM   3822  OD2 ASP D  73     -16.811 -19.333 -16.112  1.00 50.27           O
+ATOM   3823  N   GLY D  74     -15.211 -19.059 -10.501  1.00 26.75           N
+ATOM   3824  CA  GLY D  74     -14.376 -19.390  -9.473  1.00 22.69           C
+ATOM   3825  C   GLY D  74     -14.851 -19.537  -8.039  1.00 23.14           C
+ATOM   3826  O   GLY D  74     -14.419 -20.191  -7.094  1.00 29.20           O
+ATOM   3827  N   LEU D  75     -16.177 -18.924  -8.005  1.00 21.18           N
+ATOM   3828  CA  LEU D  75     -16.870 -19.385  -6.815  1.00 34.17           C
+ATOM   3829  C   LEU D  75     -17.117 -20.780  -6.565  1.00 37.46           C
+ATOM   3830  O   LEU D  75     -17.563 -21.063  -5.534  1.00 40.90           O
+ATOM   3831  CB  LEU D  75     -18.078 -18.207  -6.714  1.00 36.63           C
+ATOM   3832  CG  LEU D  75     -17.957 -16.908  -6.209  1.00 28.96           C
+ATOM   3833  CD1 LEU D  75     -16.674 -16.783  -5.652  1.00 54.84           C
+ATOM   3834  CD2 LEU D  75     -18.450 -15.831  -6.570  1.00 41.72           C
+ATOM   3835  N   ALA D  76     -17.372 -21.329  -7.689  1.00 36.74           N
+ATOM   3836  CA  ALA D  76     -17.490 -23.239  -8.009  1.00 46.27           C
+ATOM   3837  C   ALA D  76     -16.460 -23.394  -7.753  1.00 39.68           C
+ATOM   3838  O   ALA D  76     -16.371 -24.793  -7.251  1.00 39.55           O
+ATOM   3839  CB  ALA D  76     -18.034 -22.779  -9.158  1.00 52.59           C
+ATOM   3840  N   HIS D  77     -15.221 -22.931  -7.252  1.00 34.88           N
+ATOM   3841  CA  HIS D  77     -14.175 -23.705  -7.014  1.00 37.75           C
+ATOM   3842  C   HIS D  77     -12.911 -22.947  -6.253  1.00 36.30           C
+ATOM   3843  O   HIS D  77     -11.715 -22.807  -6.207  1.00 30.91           O
+ATOM   3844  CB  HIS D  77     -13.016 -23.968  -8.303  1.00 35.95           C
+ATOM   3845  CG  HIS D  77     -13.662 -24.672  -9.381  1.00 39.15           C
+ATOM   3846  ND1 HIS D  77     -14.327 -23.756 -10.232  1.00 58.22           N
+ATOM   3847  CD2 HIS D  77     -13.455 -26.062  -9.566  1.00 48.66           C
+ATOM   3848  CE1 HIS D  77     -15.214 -25.034 -11.337  1.00 49.77           C
+ATOM   3849  NE2 HIS D  77     -14.945 -25.798 -10.683  1.00 36.55           N
+ATOM   3850  N   LEU D  78     -13.652 -22.590  -4.941  1.00 30.38           N
+ATOM   3851  CA  LEU D  78     -13.049 -22.225  -3.904  1.00 35.53           C
+ATOM   3852  C   LEU D  78     -11.853 -22.307  -3.241  1.00 31.52           C
+ATOM   3853  O   LEU D  78     -11.095 -21.930  -2.681  1.00 30.87           O
+ATOM   3854  CB  LEU D  78     -14.166 -21.218  -2.929  1.00 35.71           C
+ATOM   3855  CG  LEU D  78     -14.517 -19.696  -3.089  1.00 42.09           C
+ATOM   3856  CD1 LEU D  78     -16.000 -19.812  -2.269  1.00 40.33           C
+ATOM   3857  CD2 LEU D  78     -14.206 -18.936  -3.409  1.00 43.79           C
+ATOM   3858  N   ASP D  79     -11.841 -23.798  -3.366  1.00 27.09           N
+ATOM   3859  CA  ASP D  79     -10.671 -24.163  -2.603  1.00 39.93           C
+ATOM   3860  C   ASP D  79      -9.351 -24.818  -3.691  1.00 38.31           C
+ATOM   3861  O   ASP D  79      -8.220 -24.950  -3.380  1.00 37.24           O
+ATOM   3862  CB  ASP D  79     -11.204 -25.807  -2.720  1.00 49.19           C
+ATOM   3863  CG  ASP D  79     -12.348 -25.806  -2.280  1.00 60.14           C
+ATOM   3864  OD1 ASP D  79     -12.747 -27.563  -1.436  1.00 58.54           O
+ATOM   3865  OD2 ASP D  79     -11.720 -25.378  -0.450  1.00 49.76           O
+ATOM   3866  N   ASN D  80      -9.928 -24.165  -4.813  1.00 33.30           N
+ATOM   3867  CA  ASN D  80      -8.432 -24.074  -5.725  1.00 41.52           C
+ATOM   3868  C   ASN D  80      -8.757 -22.972  -7.024  1.00 29.72           C
+ATOM   3869  O   ASN D  80      -8.410 -23.186  -8.009  1.00 26.63           O
+ATOM   3870  CB  ASN D  80      -8.335 -25.027  -6.387  1.00 65.88           C
+ATOM   3871  CG  ASN D  80      -8.226 -26.006  -7.178  1.00 79.70           C
+ATOM   3872  OD1 ASN D  80      -6.646 -26.141  -7.665  1.00 64.12           O
+ATOM   3873  ND2 ASN D  80      -9.445 -26.052  -7.340  1.00 80.04           N
+ATOM   3874  N   LEU D  81      -8.454 -21.884  -6.206  1.00 24.36           N
+ATOM   3875  CA  LEU D  81      -8.539 -20.715  -7.081  1.00 25.83           C
+ATOM   3876  C   LEU D  81      -7.273 -20.637  -8.041  1.00 31.94           C
+ATOM   3877  O   LEU D  81      -7.415 -20.270  -9.214  1.00 25.17           O
+ATOM   3878  CB  LEU D  81      -8.579 -19.629  -6.126  1.00 20.37           C
+ATOM   3879  CG  LEU D  81      -9.997 -19.259  -5.589  1.00 25.65           C
+ATOM   3880  CD1 LEU D  81      -9.956 -18.414  -4.674  1.00 40.59           C
+ATOM   3881  CD2 LEU D  81     -11.103 -19.225  -6.396  1.00 23.30           C
+ATOM   3882  N   LYS D  82      -6.051 -20.893  -7.415  1.00 30.20           N
+ATOM   3883  CA  LYS D  82      -4.933 -20.852  -8.394  1.00 28.24           C
+ATOM   3884  C   LYS D  82      -5.124 -21.707  -9.528  1.00 33.91           C
+ATOM   3885  O   LYS D  82      -4.821 -21.459 -10.648  1.00 25.48           O
+ATOM   3886  CB  LYS D  82      -3.611 -21.239  -7.521  1.00 33.73           C
+ATOM   3887  CG  LYS D  82      -3.123 -20.210  -6.921  1.00 40.61           C
+ATOM   3888  CD  LYS D  82      -1.453 -20.533  -6.100  1.00 64.29           C
+ATOM   3889  CE  LYS D  82      -2.245 -18.592  -4.901  1.00 50.61           C
+ATOM   3890  NZ  LYS D  82      -1.640 -20.210  -4.012  1.00 57.77           N
+ATOM   3891  N   GLY D  83      -5.684 -23.133  -9.543  1.00 30.21           N
+ATOM   3892  CA  GLY D  83      -5.556 -24.039 -10.631  1.00 23.41           C
+ATOM   3893  C   GLY D  83      -6.710 -23.708 -11.373  1.00 31.79           C
+ATOM   3894  O   GLY D  83      -6.545 -23.384 -12.827  1.00 27.38           O
+ATOM   3895  N   THR D  84      -7.929 -22.850 -10.943  1.00 27.06           N
+ATOM   3896  CA  THR D  84      -8.896 -22.475 -11.769  1.00 31.17           C
+ATOM   3897  C   THR D  84      -8.254 -21.368 -12.862  1.00 35.08           C
+ATOM   3898  O   THR D  84      -9.023 -21.163 -13.732  1.00 26.93           O
+ATOM   3899  CB  THR D  84     -10.186 -21.934 -10.990  1.00 26.68           C
+ATOM   3900  OG1 THR D  84     -10.450 -22.939 -10.341  1.00 41.82           O
+ATOM   3901  CG2 THR D  84     -11.436 -21.350 -11.615  1.00 32.36           C
+ATOM   3902  N   PHE D  85      -7.713 -20.405 -12.026  1.00 23.78           N
+ATOM   3903  CA  PHE D  85      -7.538 -18.984 -12.806  1.00 17.94           C
+ATOM   3904  C   PHE D  85      -6.138 -19.115 -13.564  1.00 20.32           C
+ATOM   3905  O   PHE D  85      -5.528 -18.116 -14.137  1.00 18.46           O
+ATOM   3906  CB  PHE D  85      -7.425 -17.913 -11.819  1.00 16.82           C
+ATOM   3907  CG  PHE D  85      -8.885 -17.567 -11.680  1.00 15.41           C
+ATOM   3908  CD1 PHE D  85      -9.422 -17.861 -10.346  1.00 21.43           C
+ATOM   3909  CD2 PHE D  85      -9.605 -16.833 -12.552  1.00 29.52           C
+ATOM   3910  CE1 PHE D  85     -10.820 -17.512  -9.993  1.00 27.35           C
+ATOM   3911  CE2 PHE D  85     -11.060 -16.678 -12.198  1.00 23.38           C
+ATOM   3912  CZ  PHE D  85     -11.788 -16.979 -10.988  1.00 20.96           C
+ATOM   3913  N   ALA D  86      -5.306 -20.190 -13.510  1.00 16.78           N
+ATOM   3914  CA  ALA D  86      -3.786 -20.129 -13.990  1.00 21.66           C
+ATOM   3915  C   ALA D  86      -3.859 -19.751 -15.592  1.00 13.70           C
+ATOM   3916  O   ALA D  86      -2.977 -18.900 -15.942  1.00 16.83           O
+ATOM   3917  CB  ALA D  86      -3.276 -21.717 -14.150  1.00 23.60           C
+ATOM   3918  N   THR D  87      -4.799 -20.235 -16.291  1.00 17.09           N
+ATOM   3919  CA  THR D  87      -4.700 -19.770 -17.696  1.00 15.85           C
+ATOM   3920  C   THR D  87      -4.913 -18.223 -17.934  1.00 17.61           C
+ATOM   3921  O   THR D  87      -4.226 -17.589 -18.665  1.00 21.97           O
+ATOM   3922  CB  THR D  87      -5.803 -20.551 -18.552  1.00 23.34           C
+ATOM   3923  OG1 THR D  87      -5.495 -21.943 -18.388  1.00 26.37           O
+ATOM   3924  CG2 THR D  87      -5.595 -20.344 -19.930  1.00 26.08           C
+ATOM   3925  N   LEU D  88      -5.980 -17.807 -17.359  1.00 19.60           N
+ATOM   3926  CA  LEU D  88      -6.271 -16.457 -17.415  1.00 18.18           C
+ATOM   3927  C   LEU D  88      -5.187 -15.518 -16.684  1.00 15.66           C
+ATOM   3928  O   LEU D  88      -4.841 -14.368 -17.168  1.00 16.54           O
+ATOM   3929  CB  LEU D  88      -7.631 -16.058 -16.725  1.00 24.93           C
+ATOM   3930  CG  LEU D  88      -8.806 -16.413 -17.604  1.00 29.68           C
+ATOM   3931  CD1 LEU D  88      -9.913 -16.362 -16.626  1.00 33.11           C
+ATOM   3932  CD2 LEU D  88      -8.780 -15.785 -18.779  1.00 21.96           C
+ATOM   3933  N   SER D  89      -4.550 -16.190 -15.577  1.00 21.20           N
+ATOM   3934  CA  SER D  89      -3.384 -15.545 -14.950  1.00 17.78           C
+ATOM   3935  C   SER D  89      -2.295 -15.067 -15.986  1.00 16.70           C
+ATOM   3936  O   SER D  89      -1.619 -14.055 -16.257  1.00 15.86           O
+ATOM   3937  CB  SER D  89      -2.725 -16.272 -13.880  1.00 19.29           C
+ATOM   3938  OG  SER D  89      -1.733 -15.529 -13.240  1.00 14.95           O
+ATOM   3939  N   GLU D  90      -1.806 -16.218 -16.719  1.00 15.58           N
+ATOM   3940  CA  GLU D  90      -0.961 -16.101 -17.900  1.00 21.65           C
+ATOM   3941  C   GLU D  90      -1.319 -15.129 -19.030  1.00 13.57           C
+ATOM   3942  O   GLU D  90      -0.576 -14.403 -19.451  1.00 18.38           O
+ATOM   3943  CB  GLU D  90      -0.700 -17.640 -18.253  1.00 19.08           C
+ATOM   3944  CG  GLU D  90       0.585 -17.390 -19.009  1.00 38.09           C
+ATOM   3945  CD  GLU D  90       0.916 -19.788 -19.196  1.00 62.85           C
+ATOM   3946  OE1 GLU D  90       0.495 -19.279 -20.696  1.00 54.38           O
+ATOM   3947  OE2 GLU D  90      -0.172 -20.134 -18.632  1.00 49.69           O
+ATOM   3948  N   LEU D  91      -2.614 -15.260 -19.279  1.00 12.64           N
+ATOM   3949  CA  LEU D  91      -2.918 -14.282 -20.199  1.00 11.29           C
+ATOM   3950  C   LEU D  91      -2.769 -12.767 -19.975  1.00 14.82           C
+ATOM   3951  O   LEU D  91      -2.486 -11.814 -20.708  1.00 14.36           O
+ATOM   3952  CB  LEU D  91      -4.443 -14.616 -20.526  1.00 13.30           C
+ATOM   3953  CG  LEU D  91      -5.325 -13.643 -21.412  1.00 17.13           C
+ATOM   3954  CD1 LEU D  91      -4.702 -13.618 -23.000  1.00 25.95           C
+ATOM   3955  CD2 LEU D  91      -6.752 -13.787 -21.472  1.00 20.87           C
+ATOM   3956  N   HIS D  92      -3.278 -12.509 -18.598  1.00 14.55           N
+ATOM   3957  CA  HIS D  92      -3.429 -10.968 -18.356  1.00 18.41           C
+ATOM   3958  C   HIS D  92      -1.750 -10.659 -17.942  1.00 25.22           C
+ATOM   3959  O   HIS D  92      -1.542  -9.487 -18.276  1.00 15.09           O
+ATOM   3960  CB  HIS D  92      -3.870 -11.061 -16.956  1.00 16.94           C
+ATOM   3961  CG  HIS D  92      -5.443 -10.779 -17.044  1.00 14.87           C
+ATOM   3962  ND1 HIS D  92      -6.226 -12.088 -17.324  1.00 14.65           N
+ATOM   3963  CD2 HIS D  92      -6.494  -9.930 -17.027  1.00 12.93           C
+ATOM   3964  CE1 HIS D  92      -7.513 -11.488 -17.344  1.00 12.97           C
+ATOM   3965  NE2 HIS D  92      -7.794 -10.264 -17.456  1.00 18.10           N
+ATOM   3966  N   CYS D  93      -0.853 -11.610 -17.750  1.00 16.12           N
+ATOM   3967  CA  CYS D  93       0.671 -11.156 -17.799  1.00 16.35           C
+ATOM   3968  C   CYS D  93       1.184 -10.895 -19.303  1.00 18.55           C
+ATOM   3969  O   CYS D  93       1.616  -9.948 -19.471  1.00 17.22           O
+ATOM   3970  CB  CYS D  93       1.177 -12.201 -16.844  1.00 20.93           C
+ATOM   3971  SG  CYS D  93       3.106 -11.680 -16.838  1.00 18.90           S
+ATOM   3972  N   ASP D  94       1.071 -12.148 -19.853  1.00 14.32           N
+ATOM   3973  CA  ASP D  94       2.076 -12.170 -21.195  1.00 16.01           C
+ATOM   3974  C   ASP D  94       1.351 -11.461 -22.242  1.00 19.68           C
+ATOM   3975  O   ASP D  94       1.981 -11.016 -23.089  1.00 27.14           O
+ATOM   3976  CB  ASP D  94       2.163 -13.661 -21.334  1.00 20.44           C
+ATOM   3977  CG  ASP D  94       3.220 -14.533 -20.409  1.00 36.43           C
+ATOM   3978  OD1 ASP D  94       3.523 -13.728 -19.788  1.00 32.86           O
+ATOM   3979  OD2 ASP D  94       2.735 -15.960 -20.657  1.00 40.09           O
+ATOM   3980  N   LYS D  95       0.079 -11.509 -22.378  1.00 14.90           N
+ATOM   3981  CA  LYS D  95      -0.657 -10.830 -23.618  1.00 16.76           C
+ATOM   3982  C   LYS D  95      -1.037  -9.542 -23.369  1.00 18.82           C
+ATOM   3983  O   LYS D  95      -1.025  -8.517 -23.887  1.00 19.72           O
+ATOM   3984  CB  LYS D  95      -1.739 -11.719 -24.171  1.00 24.57           C
+ATOM   3985  CG  LYS D  95      -1.405 -13.254 -24.270  1.00 49.61           C
+ATOM   3986  CD  LYS D  95       0.033 -12.822 -25.830  1.00 60.17           C
+ATOM   3987  CE  LYS D  95       0.875 -13.698 -26.541  1.00 57.82           C
+ATOM   3988  NZ  LYS D  95       1.951 -12.652 -27.842  1.00 59.53           N
+ATOM   3989  N   LEU D  96      -1.816  -9.347 -21.943  1.00 16.80           N
+ATOM   3990  CA  LEU D  96      -2.489  -8.095 -21.711  1.00 16.58           C
+ATOM   3991  C   LEU D  96      -1.557  -6.998 -20.981  1.00 16.01           C
+ATOM   3992  O   LEU D  96      -2.025  -5.870 -20.986  1.00 15.73           O
+ATOM   3993  CB  LEU D  96      -3.813  -8.447 -21.040  1.00 21.01           C
+ATOM   3994  CG  LEU D  96      -4.799  -9.421 -21.657  1.00 22.06           C
+ATOM   3995  CD1 LEU D  96      -6.039  -9.748 -20.763  1.00 15.50           C
+ATOM   3996  CD2 LEU D  96      -5.152  -8.823 -22.921  1.00 34.04           C
+ATOM   3997  N   HIS D  97      -0.781  -7.579 -20.217  1.00 18.03           N
+ATOM   3998  CA  HIS D  97       0.244  -6.637 -19.580  1.00 18.48           C
+ATOM   3999  C   HIS D  97      -0.432  -5.796 -18.443  1.00 13.60           C
+ATOM   4000  O   HIS D  97      -0.253  -4.620 -18.215  1.00 15.07           O
+ATOM   4001  CB  HIS D  97       0.990  -5.653 -20.400  1.00 24.24           C
+ATOM   4002  CG  HIS D  97       1.776  -6.391 -21.656  1.00 28.24           C
+ATOM   4003  ND1 HIS D  97       2.554  -7.432 -21.385  1.00 26.25           N
+ATOM   4004  CD2 HIS D  97       1.271  -6.244 -22.910  1.00 35.10           C
+ATOM   4005  CE1 HIS D  97       3.136  -7.961 -22.703  1.00 25.85           C
+ATOM   4006  NE2 HIS D  97       2.325  -7.208 -23.322  1.00 28.28           N
+ATOM   4007  N   VAL D  98      -1.455  -6.545 -17.703  1.00 15.21           N
+ATOM   4008  CA  VAL D  98      -2.210  -5.794 -16.736  1.00 14.55           C
+ATOM   4009  C   VAL D  98      -1.489  -5.841 -15.285  1.00 10.52           C
+ATOM   4010  O   VAL D  98      -1.368  -7.002 -14.827  1.00 11.77           O
+ATOM   4011  CB  VAL D  98      -3.549  -6.468 -16.502  1.00 15.30           C
+ATOM   4012  CG1 VAL D  98      -4.339  -5.933 -15.325  1.00 15.30           C
+ATOM   4013  CG2 VAL D  98      -4.285  -6.152 -17.968  1.00 17.14           C
+ATOM   4014  N   ASP D  99      -1.167  -4.730 -14.701  1.00  9.86           N
+ATOM   4015  CA  ASP D  99      -0.610  -4.765 -13.282  1.00 10.99           C
+ATOM   4016  C   ASP D  99      -1.652  -5.465 -12.445  1.00 12.34           C
+ATOM   4017  O   ASP D  99      -2.837  -4.921 -12.433  1.00 15.90           O
+ATOM   4018  CB  ASP D  99      -0.421  -3.334 -12.976  1.00 12.59           C
+ATOM   4019  CG  ASP D  99       0.231  -3.018 -11.481  1.00 12.64           C
+ATOM   4020  OD1 ASP D  99       0.529  -1.770 -11.464  1.00 11.35           O
+ATOM   4021  OD2 ASP D  99       0.421  -4.097 -10.818  1.00 14.04           O
+ATOM   4022  N   PRO D 100      -1.293  -6.422 -11.755  1.00 16.57           N
+ATOM   4023  CA  PRO D 100      -2.075  -7.130 -10.712  1.00 11.14           C
+ATOM   4024  C   PRO D 100      -2.767  -6.164  -9.672  1.00 11.03           C
+ATOM   4025  O   PRO D 100      -3.730  -6.728  -9.131  1.00 12.40           O
+ATOM   4026  CB  PRO D 100      -1.455  -8.509 -10.454  1.00 18.57           C
+ATOM   4027  CG  PRO D 100      -0.120  -8.351 -10.644  1.00 16.52           C
+ATOM   4028  CD  PRO D 100       0.008  -7.085 -11.678  1.00 15.61           C
+ATOM   4029  N   GLU D 101      -2.120  -5.022  -9.432  1.00  9.29           N
+ATOM   4030  CA  GLU D 101      -2.721  -4.184  -8.535  1.00 12.45           C
+ATOM   4031  C   GLU D 101      -4.150  -3.766  -8.894  1.00 20.07           C
+ATOM   4032  O   GLU D 101      -5.139  -3.640  -8.044  1.00 15.47           O
+ATOM   4033  CB  GLU D 101      -1.898  -2.971  -8.352  1.00 18.48           C
+ATOM   4034  CG  GLU D 101      -2.751  -1.912  -7.301  1.00 30.49           C
+ATOM   4035  CD  GLU D 101      -2.928  -2.595  -5.361  1.00 32.99           C
+ATOM   4036  OE1 GLU D 101      -1.814  -3.251  -5.501  1.00 22.72           O
+ATOM   4037  OE2 GLU D 101      -3.790  -1.433  -5.275  1.00 37.16           O
+ATOM   4038  N   ASN D 102      -4.416  -3.866 -10.222  1.00 14.86           N
+ATOM   4039  CA  ASN D 102      -5.827  -3.553 -10.820  1.00 14.38           C
+ATOM   4040  C   ASN D 102      -6.730  -4.706 -10.375  1.00 12.83           C
+ATOM   4041  O   ASN D 102      -8.073  -4.305 -10.051  1.00 15.98           O
+ATOM   4042  CB  ASN D 102      -5.825  -3.726 -12.202  1.00 15.85           C
+ATOM   4043  CG  ASN D 102      -5.178  -2.418 -12.728  1.00 20.86           C
+ATOM   4044  OD1 ASN D 102      -5.594  -1.386 -12.707  1.00 17.49           O
+ATOM   4045  ND2 ASN D 102      -3.900  -2.610 -13.401  1.00 22.52           N
+ATOM   4046  N   PHE D 103      -6.450  -5.902 -10.088  1.00 11.06           N
+ATOM   4047  CA  PHE D 103      -7.223  -7.062  -9.594  1.00 11.10           C
+ATOM   4048  C   PHE D 103      -7.838  -6.627  -8.138  1.00 14.83           C
+ATOM   4049  O   PHE D 103      -9.038  -6.926  -7.755  1.00 12.07           O
+ATOM   4050  CB  PHE D 103      -6.641  -8.378  -9.453  1.00 14.26           C
+ATOM   4051  CG  PHE D 103      -5.978  -8.685 -10.884  1.00 14.43           C
+ATOM   4052  CD1 PHE D 103      -6.722  -8.442 -12.150  1.00 22.91           C
+ATOM   4053  CD2 PHE D 103      -4.777  -9.418 -10.920  1.00 19.84           C
+ATOM   4054  CE1 PHE D 103      -6.285  -8.812 -13.376  1.00 22.48           C
+ATOM   4055  CE2 PHE D 103      -4.350  -9.752 -12.200  1.00 13.44           C
+ATOM   4056  CZ  PHE D 103      -4.988  -9.426 -13.435  1.00 16.91           C
+ATOM   4057  N   ARG D 104      -6.979  -6.041  -7.313  1.00 14.96           N
+ATOM   4058  CA  ARG D 104      -7.236  -5.640  -5.946  1.00 18.64           C
+ATOM   4059  C   ARG D 104      -8.352  -4.439  -5.984  1.00 17.76           C
+ATOM   4060  O   ARG D 104      -9.251  -4.482  -5.206  1.00 14.29           O
+ATOM   4061  CB  ARG D 104      -5.925  -5.205  -5.097  1.00 19.67           C
+ATOM   4062  CG  ARG D 104      -5.188  -6.366  -5.055  1.00 39.66           C
+ATOM   4063  CD  ARG D 104      -3.686  -6.042  -4.324  1.00 67.99           C
+ATOM   4064  NE  ARG D 104      -3.285  -7.833  -4.405  1.00 67.11           N
+ATOM   4065  CZ  ARG D 104      -0.829  -7.130  -4.074  1.00 80.12           C
+ATOM   4066  NH1 ARG D 104      -1.228  -5.714  -3.904  1.00 77.56           N
+ATOM   4067  NH2 ARG D 104      -1.024  -7.904  -3.149  1.00 80.12           N
+ATOM   4068  N   LEU D 105      -8.019  -3.490  -6.857  1.00 14.78           N
+ATOM   4069  CA  LEU D 105      -8.933  -2.377  -6.997  1.00 11.66           C
+ATOM   4070  C   LEU D 105     -10.366  -2.815  -7.384  1.00 13.52           C
+ATOM   4071  O   LEU D 105     -11.325  -2.484  -6.781  1.00 12.56           O
+ATOM   4072  CB  LEU D 105      -8.385  -1.463  -7.865  1.00 16.32           C
+ATOM   4073  CG  LEU D 105      -7.155  -0.533  -7.691  1.00 23.61           C
+ATOM   4074  CD1 LEU D 105      -6.564   0.347  -8.601  1.00 25.65           C
+ATOM   4075  CD2 LEU D 105      -7.175  -0.008  -6.272  1.00 30.28           C
+ATOM   4076  N   LEU D 106     -10.388  -3.731  -8.359  1.00 11.11           N
+ATOM   4077  CA  LEU D 106     -11.776  -4.169  -8.774  1.00 10.81           C
+ATOM   4078  C   LEU D 106     -12.425  -4.909  -7.735  1.00  7.04           C
+ATOM   4079  O   LEU D 106     -13.596  -4.860  -7.508  1.00  8.65           O
+ATOM   4080  CB  LEU D 106     -11.565  -5.136  -9.996  1.00 12.84           C
+ATOM   4081  CG  LEU D 106     -12.908  -5.591 -10.559  1.00 16.25           C
+ATOM   4082  CD1 LEU D 106     -13.855  -4.506 -11.046  1.00 16.77           C
+ATOM   4083  CD2 LEU D 106     -12.516  -6.548 -11.540  1.00 20.04           C
+ATOM   4084  N   GLY D 107     -11.735  -5.688  -6.939  1.00 12.52           N
+ATOM   4085  CA  GLY D 107     -12.179  -6.516  -5.777  1.00 16.15           C
+ATOM   4086  C   GLY D 107     -12.899  -5.574  -4.792  1.00 14.99           C
+ATOM   4087  O   GLY D 107     -14.015  -5.773  -4.332  1.00 12.81           O
+ATOM   4088  N   ASN D 108     -12.285  -4.436  -4.514  1.00 12.36           N
+ATOM   4089  CA  ASN D 108     -12.802  -3.491  -3.621  1.00 14.00           C
+ATOM   4090  C   ASN D 108     -13.963  -2.724  -4.098  1.00 11.43           C
+ATOM   4091  O   ASN D 108     -15.056  -2.507  -3.385  1.00 12.39           O
+ATOM   4092  CB  ASN D 108     -11.844  -2.454  -3.053  1.00 18.57           C
+ATOM   4093  CG  ASN D 108     -10.617  -3.293  -1.988  1.00 22.26           C
+ATOM   4094  OD1 ASN D 108     -11.199  -4.293  -1.311  1.00 22.78           O
+ATOM   4095  ND2 ASN D 108      -9.853  -2.344  -1.843  1.00 30.03           N
+ATOM   4096  N   VAL D 109     -13.924  -2.387  -5.385  1.00 10.09           N
+ATOM   4097  CA  VAL D 109     -15.064  -1.848  -6.032  1.00  8.21           C
+ATOM   4098  C   VAL D 109     -16.234  -2.783  -6.101  1.00  9.89           C
+ATOM   4099  O   VAL D 109     -17.335  -2.321  -5.728  1.00 11.76           O
+ATOM   4100  CB  VAL D 109     -14.656  -1.351  -7.492  1.00 11.59           C
+ATOM   4101  CG1 VAL D 109     -15.861  -0.846  -8.320  1.00 17.96           C
+ATOM   4102  CG2 VAL D 109     -13.771  -0.178  -7.377  1.00 17.98           C
+ATOM   4103  N   LEU D 110     -15.952  -4.083  -6.403  1.00  9.62           N
+ATOM   4104  CA  LEU D 110     -17.024  -5.059  -6.369  1.00 14.08           C
+ATOM   4105  C   LEU D 110     -17.831  -5.035  -5.141  1.00 11.97           C
+ATOM   4106  O   LEU D 110     -19.008  -5.257  -4.826  1.00 10.97           O
+ATOM   4107  CB  LEU D 110     -16.600  -6.309  -6.770  1.00 15.34           C
+ATOM   4108  CG  LEU D 110     -17.478  -7.458  -6.761  1.00 14.97           C
+ATOM   4109  CD1 LEU D 110     -18.670  -7.282  -7.592  1.00 23.21           C
+ATOM   4110  CD2 LEU D 110     -16.862  -8.829  -7.132  1.00 26.92           C
+ATOM   4111  N   VAL D 111     -16.932  -5.013  -3.909  1.00 14.50           N
+ATOM   4112  CA  VAL D 111     -17.557  -5.003  -2.482  1.00 11.82           C
+ATOM   4113  C   VAL D 111     -18.496  -3.835  -2.339  1.00 14.01           C
+ATOM   4114  O   VAL D 111     -19.560  -3.938  -1.746  1.00 12.03           O
+ATOM   4115  CB  VAL D 111     -16.468  -5.174  -1.423  1.00 12.62           C
+ATOM   4116  CG1 VAL D 111     -17.105  -4.887  -0.077  1.00 15.85           C
+ATOM   4117  CG2 VAL D 111     -15.845  -6.615  -1.505  1.00 10.77           C
+ATOM   4118  N   CYS D 112     -17.954  -2.598  -2.876  1.00 13.62           N
+ATOM   4119  CA  CYS D 112     -18.674  -1.428  -2.875  1.00 13.72           C
+ATOM   4120  C   CYS D 112     -20.245  -1.545  -3.397  1.00 20.10           C
+ATOM   4121  O   CYS D 112     -21.199  -1.153  -2.984  1.00 16.56           O
+ATOM   4122  CB  CYS D 112     -18.077  -0.213  -3.441  1.00 12.95           C
+ATOM   4123  SG  CYS D 112     -16.890   0.371  -2.238  1.00 15.21           S
+ATOM   4124  N   VAL D 113     -20.090  -2.259  -4.565  1.00 17.02           N
+ATOM   4125  CA  VAL D 113     -21.229  -2.476  -5.537  1.00 12.28           C
+ATOM   4126  C   VAL D 113     -22.216  -3.415  -4.943  1.00 12.56           C
+ATOM   4127  O   VAL D 113     -23.393  -3.166  -4.833  1.00 15.84           O
+ATOM   4128  CB  VAL D 113     -20.819  -3.012  -6.914  1.00 17.85           C
+ATOM   4129  CG1 VAL D 113     -22.007  -3.440  -7.657  1.00 18.74           C
+ATOM   4130  CG2 VAL D 113     -20.123  -1.688  -7.807  1.00 21.41           C
+ATOM   4131  N   LEU D 114     -21.799  -4.480  -4.273  1.00 10.75           N
+ATOM   4132  CA  LEU D 114     -22.611  -5.453  -3.526  1.00 10.78           C
+ATOM   4133  C   LEU D 114     -23.336  -4.689  -2.455  1.00 19.00           C
+ATOM   4134  O   LEU D 114     -24.454  -4.811  -2.196  1.00 11.46           O
+ATOM   4135  CB  LEU D 114     -21.815  -6.582  -3.114  1.00 14.56           C
+ATOM   4136  CG  LEU D 114     -21.183  -7.401  -4.241  1.00 17.11           C
+ATOM   4137  CD1 LEU D 114     -20.368  -8.591  -3.652  1.00 17.06           C
+ATOM   4138  CD2 LEU D 114     -22.473  -8.135  -5.021  1.00 20.86           C
+ATOM   4139  N   ALA D 115     -22.573  -3.965  -1.677  1.00 11.71           N
+ATOM   4140  CA  ALA D 115     -23.177  -3.124  -0.512  1.00 11.69           C
+ATOM   4141  C   ALA D 115     -24.286  -2.193  -1.056  1.00 15.12           C
+ATOM   4142  O   ALA D 115     -25.190  -2.078  -0.405  1.00 15.47           O
+ATOM   4143  CB  ALA D 115     -22.014  -2.336   0.283  1.00 12.28           C
+ATOM   4144  N   HIS D 116     -23.996  -1.420  -2.116  1.00 15.03           N
+ATOM   4145  CA  HIS D 116     -24.955  -0.497  -2.730  1.00 12.09           C
+ATOM   4146  C   HIS D 116     -26.163  -1.244  -3.183  1.00 12.50           C
+ATOM   4147  O   HIS D 116     -27.367  -0.733  -2.977  1.00 15.93           O
+ATOM   4148  CB  HIS D 116     -24.260   0.137  -3.930  1.00 20.66           C
+ATOM   4149  CG  HIS D 116     -25.177   1.236  -4.511  1.00 27.72           C
+ATOM   4150  ND1 HIS D 116     -25.302   1.194  -5.752  1.00 29.99           N
+ATOM   4151  CD2 HIS D 116     -25.633   2.207  -3.823  1.00 30.96           C
+ATOM   4152  CE1 HIS D 116     -26.002   2.415  -6.103  1.00 27.26           C
+ATOM   4153  NE2 HIS D 116     -26.344   3.000  -4.762  1.00 28.89           N
+ATOM   4154  N   HIS D 117     -26.018  -2.363  -3.828  1.00 13.33           N
+ATOM   4155  CA  HIS D 117     -27.076  -3.136  -4.425  1.00 15.24           C
+ATOM   4156  C   HIS D 117     -27.870  -3.712  -3.255  1.00 17.50           C
+ATOM   4157  O   HIS D 117     -29.133  -3.855  -3.315  1.00 16.06           O
+ATOM   4158  CB  HIS D 117     -26.496  -4.135  -5.434  1.00 17.22           C
+ATOM   4159  CG  HIS D 117     -27.385  -4.774  -6.024  1.00 54.91           C
+ATOM   4160  ND1 HIS D 117     -28.250  -3.991  -7.312  1.00 47.40           N
+ATOM   4161  CD2 HIS D 117     -28.517  -5.901  -5.930  1.00 49.34           C
+ATOM   4162  CE1 HIS D 117     -29.253  -5.278  -7.522  1.00 48.36           C
+ATOM   4163  NE2 HIS D 117     -29.230  -6.041  -6.924  1.00 37.10           N
+ATOM   4164  N   PHE D 118     -27.360  -4.464  -2.297  1.00 14.50           N
+ATOM   4165  CA  PHE D 118     -28.031  -5.299  -1.218  1.00 19.30           C
+ATOM   4166  C   PHE D 118     -28.313  -4.501  -0.028  1.00 20.52           C
+ATOM   4167  O   PHE D 118     -29.066  -5.081   0.915  1.00 18.09           O
+ATOM   4168  CB  PHE D 118     -27.213  -6.481  -0.908  1.00 18.97           C
+ATOM   4169  CG  PHE D 118     -27.223  -7.413  -2.204  1.00 18.93           C
+ATOM   4170  CD1 PHE D 118     -26.304  -7.801  -3.109  1.00 24.34           C
+ATOM   4171  CD2 PHE D 118     -28.509  -8.118  -2.367  1.00 26.48           C
+ATOM   4172  CE1 PHE D 118     -26.170  -8.548  -4.227  1.00 20.81           C
+ATOM   4173  CE2 PHE D 118     -28.524  -8.992  -3.636  1.00 22.90           C
+ATOM   4174  CZ  PHE D 118     -27.563  -8.928  -4.575  1.00 38.52           C
+ATOM   4175  N   GLY D 119     -27.754  -3.376   0.316  1.00 12.95           N
+ATOM   4176  CA  GLY D 119     -28.196  -2.563   1.458  1.00 17.60           C
+ATOM   4177  C   GLY D 119     -27.642  -3.404   2.740  1.00 22.58           C
+ATOM   4178  O   GLY D 119     -26.745  -4.123   2.946  1.00 17.60           O
+ATOM   4179  N   LYS D 120     -28.738  -3.418   3.697  1.00 21.46           N
+ATOM   4180  CA  LYS D 120     -28.403  -3.844   5.025  1.00 20.05           C
+ATOM   4181  C   LYS D 120     -28.472  -5.257   5.045  1.00 21.98           C
+ATOM   4182  O   LYS D 120     -27.730  -5.889   5.925  1.00 18.57           O
+ATOM   4183  CB  LYS D 120     -29.674  -3.273   5.899  1.00 27.28           C
+ATOM   4184  CG  LYS D 120     -30.525  -4.321   5.995  1.00 44.07           C
+ATOM   4185  CD  LYS D 120     -31.907  -4.631   6.867  1.00 48.21           C
+ATOM   4186  CE  LYS D 120     -33.041  -5.118   5.873  1.00 53.23           C
+ATOM   4187  NZ  LYS D 120     -34.578  -6.152   7.224  1.00 62.54           N
+ATOM   4188  N   GLU D 121     -28.504  -6.080   4.008  1.00 25.88           N
+ATOM   4189  CA  GLU D 121     -28.273  -7.343   3.934  1.00 20.02           C
+ATOM   4190  C   GLU D 121     -26.675  -7.822   3.749  1.00 18.96           C
+ATOM   4191  O   GLU D 121     -26.335  -8.975   4.074  1.00 16.05           O
+ATOM   4192  CB  GLU D 121     -29.032  -8.153   2.527  1.00 28.13           C
+ATOM   4193  CG  GLU D 121     -28.995  -9.238   2.561  1.00 40.20           C
+ATOM   4194  CD  GLU D 121     -30.346 -10.237   1.461  1.00 49.97           C
+ATOM   4195  OE1 GLU D 121     -29.357 -11.293   1.004  1.00 36.73           O
+ATOM   4196  OE2 GLU D 121     -30.336  -9.346   0.552  1.00 38.86           O
+ATOM   4197  N   PHE D 122     -26.073  -6.783   3.271  1.00 14.83           N
+ATOM   4198  CA  PHE D 122     -24.573  -7.060   3.133  1.00 20.37           C
+ATOM   4199  C   PHE D 122     -23.961  -6.641   4.530  1.00 15.94           C
+ATOM   4200  O   PHE D 122     -23.307  -5.592   4.698  1.00 17.73           O
+ATOM   4201  CB  PHE D 122     -24.256  -6.093   2.128  1.00 14.63           C
+ATOM   4202  CG  PHE D 122     -22.862  -6.484   1.494  1.00 12.39           C
+ATOM   4203  CD1 PHE D 122     -22.569  -7.575   0.927  1.00 14.73           C
+ATOM   4204  CD2 PHE D 122     -21.593  -5.712   1.717  1.00 15.96           C
+ATOM   4205  CE1 PHE D 122     -21.227  -8.021   0.354  1.00 19.03           C
+ATOM   4206  CE2 PHE D 122     -20.268  -6.011   1.383  1.00 16.31           C
+ATOM   4207  CZ  PHE D 122     -20.290  -7.145   0.714  1.00 19.86           C
+ATOM   4208  N   THR D 123     -24.154  -7.525   5.413  1.00 12.54           N
+ATOM   4209  CA  THR D 123     -23.654  -7.132   6.808  1.00 13.34           C
+ATOM   4210  C   THR D 123     -22.221  -7.283   6.854  1.00 15.73           C
+ATOM   4211  O   THR D 123     -21.546  -7.802   6.060  1.00 13.84           O
+ATOM   4212  CB  THR D 123     -24.160  -8.212   7.778  1.00 17.72           C
+ATOM   4213  OG1 THR D 123     -23.892  -9.520   7.414  1.00 19.04           O
+ATOM   4214  CG2 THR D 123     -25.951  -8.264   7.657  1.00 20.06           C
+ATOM   4215  N   PRO D 124     -21.722  -6.789   8.010  1.00 17.46           N
+ATOM   4216  CA  PRO D 124     -20.251  -6.940   8.311  1.00 14.41           C
+ATOM   4217  C   PRO D 124     -19.706  -8.259   8.132  1.00 12.05           C
+ATOM   4218  O   PRO D 124     -18.668  -8.405   7.486  1.00 13.28           O
+ATOM   4219  CB  PRO D 124     -20.088  -6.243   9.615  1.00 14.54           C
+ATOM   4220  CG  PRO D 124     -21.223  -5.227   9.715  1.00 15.93           C
+ATOM   4221  CD  PRO D 124     -22.358  -6.045   9.113  1.00 14.57           C
+ATOM   4222  N   PRO D 125     -20.257  -9.372   8.599  1.00 11.40           N
+ATOM   4223  CA  PRO D 125     -19.807 -10.596   8.366  1.00 17.87           C
+ATOM   4224  C   PRO D 125     -19.690 -11.236   6.993  1.00 15.21           C
+ATOM   4225  O   PRO D 125     -18.781 -11.857   6.488  1.00 14.41           O
+ATOM   4226  CB  PRO D 125     -20.651 -11.465   9.240  1.00 23.30           C
+ATOM   4227  CG  PRO D 125     -21.148 -10.683  10.183  1.00 26.37           C
+ATOM   4228  CD  PRO D 125     -21.413  -9.462   9.802  1.00 17.49           C
+ATOM   4229  N   VAL D 126     -20.833 -10.714   6.263  1.00 17.66           N
+ATOM   4230  CA  VAL D 126     -20.828 -11.114   4.812  1.00 21.55           C
+ATOM   4231  C   VAL D 126     -19.574 -10.424   3.938  1.00 16.49           C
+ATOM   4232  O   VAL D 126     -19.053 -10.988   3.156  1.00 13.46           O
+ATOM   4233  CB  VAL D 126     -22.452 -10.640   4.161  1.00 13.98           C
+ATOM   4234  CG1 VAL D 126     -22.335 -11.055   2.842  1.00 20.70           C
+ATOM   4235  CG2 VAL D 126     -23.218 -11.661   4.994  1.00 18.54           C
+ATOM   4236  N   GLN D 127     -19.567  -8.990   4.377  1.00 10.60           N
+ATOM   4237  CA  GLN D 127     -18.404  -8.336   3.872  1.00 12.83           C
+ATOM   4238  C   GLN D 127     -17.168  -9.034   3.964  1.00 13.74           C
+ATOM   4239  O   GLN D 127     -16.333  -9.154   3.044  1.00 12.71           O
+ATOM   4240  CB  GLN D 127     -18.494  -6.875   4.230  1.00 11.73           C
+ATOM   4241  CG  GLN D 127     -17.167  -6.142   3.667  1.00 13.68           C
+ATOM   4242  CD  GLN D 127     -16.957  -4.845   4.400  1.00 11.81           C
+ATOM   4243  OE1 GLN D 127     -17.847  -4.243   5.015  1.00 13.99           O
+ATOM   4244  NE2 GLN D 127     -15.920  -4.250   3.871  1.00 15.96           N
+ATOM   4245  N   ALA D 128     -16.860  -9.470   5.254  1.00 12.61           N
+ATOM   4246  CA  ALA D 128     -15.629 -10.118   5.636  1.00  9.64           C
+ATOM   4247  C   ALA D 128     -15.294 -11.332   4.779  1.00  7.66           C
+ATOM   4248  O   ALA D 128     -14.216 -11.498   4.302  1.00 11.68           O
+ATOM   4249  CB  ALA D 128     -15.618 -10.468   7.105  1.00 13.80           C
+ATOM   4250  N   ALA D 129     -16.442 -11.965   4.516  1.00 13.18           N
+ATOM   4251  CA  ALA D 129     -16.351 -13.231   3.750  1.00 11.17           C
+ATOM   4252  C   ALA D 129     -15.929 -12.840   2.277  1.00 11.52           C
+ATOM   4253  O   ALA D 129     -15.098 -13.537   1.657  1.00 13.56           O
+ATOM   4254  CB  ALA D 129     -17.591 -14.039   3.811  1.00 14.35           C
+ATOM   4255  N   TYR D 130     -16.661 -11.959   1.697  1.00 13.36           N
+ATOM   4256  CA  TYR D 130     -16.475 -11.445   0.343  1.00 13.72           C
+ATOM   4257  C   TYR D 130     -15.053 -10.791   0.256  1.00 15.10           C
+ATOM   4258  O   TYR D 130     -14.355 -11.020  -0.750  1.00 13.21           O
+ATOM   4259  CB  TYR D 130     -17.422 -10.440  -0.057  1.00 13.30           C
+ATOM   4260  CG  TYR D 130     -18.539 -11.158  -0.682  1.00 15.19           C
+ATOM   4261  CD1 TYR D 130     -18.456 -11.539  -1.989  1.00 16.58           C
+ATOM   4262  CD2 TYR D 130     -19.661 -11.646  -0.093  1.00 11.73           C
+ATOM   4263  CE1 TYR D 130     -19.348 -12.381  -2.950  1.00 20.28           C
+ATOM   4264  CE2 TYR D 130     -20.692 -12.412  -0.867  1.00 14.90           C
+ATOM   4265  CZ  TYR D 130     -20.584 -12.824  -2.071  1.00 22.05           C
+ATOM   4266  OH  TYR D 130     -21.522 -13.470  -2.725  1.00 20.92           O
+ATOM   4267  N   GLN D 131     -14.583 -10.235   1.300  1.00 12.24           N
+ATOM   4268  CA  GLN D 131     -13.174  -9.715   1.275  1.00 13.72           C
+ATOM   4269  C   GLN D 131     -12.128 -10.656   1.064  1.00 20.69           C
+ATOM   4270  O   GLN D 131     -11.251 -10.668   0.401  1.00 17.83           O
+ATOM   4271  CB  GLN D 131     -12.830  -8.708   2.421  1.00 13.45           C
+ATOM   4272  CG  GLN D 131     -13.616  -7.579   2.534  1.00 20.19           C
+ATOM   4273  CD  GLN D 131     -13.161  -6.166   1.573  1.00 18.43           C
+ATOM   4274  OE1 GLN D 131     -14.035  -5.385   1.692  1.00 14.48           O
+ATOM   4275  NE2 GLN D 131     -12.233  -6.377   0.841  1.00 16.06           N
+ATOM   4276  N   LYS D 132     -12.389 -11.876   1.744  1.00 12.67           N
+ATOM   4277  CA  LYS D 132     -11.377 -12.991   1.725  1.00 15.63           C
+ATOM   4278  C   LYS D 132     -11.407 -13.587   0.293  1.00 18.80           C
+ATOM   4279  O   LYS D 132     -10.481 -13.843  -0.328  1.00 14.05           O
+ATOM   4280  CB  LYS D 132     -11.780 -14.083   2.621  1.00 24.81           C
+ATOM   4281  CG  LYS D 132     -11.356 -13.759   4.081  1.00 25.97           C
+ATOM   4282  CD  LYS D 132     -11.952 -14.985   5.007  1.00 26.81           C
+ATOM   4283  CE  LYS D 132     -12.396 -14.023   6.345  1.00 50.23           C
+ATOM   4284  NZ  LYS D 132     -12.099 -16.364   7.125  1.00 63.38           N
+ATOM   4285  N   VAL D 133     -12.646 -13.574  -0.320  1.00 13.42           N
+ATOM   4286  CA  VAL D 133     -12.819 -14.186  -1.656  1.00 18.27           C
+ATOM   4287  C   VAL D 133     -12.113 -13.235  -2.641  1.00 19.39           C
+ATOM   4288  O   VAL D 133     -11.376 -13.757  -3.529  1.00 15.06           O
+ATOM   4289  CB  VAL D 133     -14.347 -14.459  -2.009  1.00 17.40           C
+ATOM   4290  CG1 VAL D 133     -14.482 -14.527  -3.527  1.00 22.79           C
+ATOM   4291  CG2 VAL D 133     -14.897 -15.429  -1.020  1.00 19.90           C
+ATOM   4292  N   VAL D 134     -12.419 -12.044  -2.631  1.00 14.66           N
+ATOM   4293  CA  VAL D 134     -11.817 -11.184  -3.697  1.00 17.41           C
+ATOM   4294  C   VAL D 134     -10.205 -10.998  -3.622  1.00 17.93           C
+ATOM   4295  O   VAL D 134      -9.555 -11.088  -4.632  1.00 17.13           O
+ATOM   4296  CB  VAL D 134     -12.523  -9.795  -3.826  1.00 16.69           C
+ATOM   4297  CG1 VAL D 134     -13.942  -9.809  -3.996  1.00 22.42           C
+ATOM   4298  CG2 VAL D 134     -12.135  -9.012  -2.596  1.00 16.30           C
+ATOM   4299  N   ALA D 135      -9.754 -11.116  -2.425  1.00 16.25           N
+ATOM   4300  CA  ALA D 135      -8.338 -11.031  -2.088  1.00 14.79           C
+ATOM   4301  C   ALA D 135      -7.743 -12.494  -2.790  1.00 21.70           C
+ATOM   4302  O   ALA D 135      -6.667 -12.571  -3.342  1.00 16.89           O
+ATOM   4303  CB  ALA D 135      -7.946 -11.087  -0.719  1.00 18.34           C
+ATOM   4304  N   GLY D 136      -8.430 -13.631  -2.593  1.00 17.40           N
+ATOM   4305  CA  GLY D 136      -8.238 -14.854  -2.994  1.00 16.77           C
+ATOM   4306  C   GLY D 136      -8.046 -14.863  -4.547  1.00 21.35           C
+ATOM   4307  O   GLY D 136      -7.103 -15.386  -5.248  1.00 16.80           O
+ATOM   4308  N   VAL D 137      -9.061 -14.287  -5.106  1.00 23.70           N
+ATOM   4309  CA  VAL D 137      -9.117 -14.207  -6.516  1.00 26.49           C
+ATOM   4310  C   VAL D 137      -8.271 -13.386  -7.311  1.00 33.07           C
+ATOM   4311  O   VAL D 137      -7.434 -13.729  -8.023  1.00 30.90           O
+ATOM   4312  CB  VAL D 137     -10.635 -13.731  -7.203  1.00 15.94           C
+ATOM   4313  CG1 VAL D 137     -10.606 -13.355  -8.722  1.00 21.57           C
+ATOM   4314  CG2 VAL D 137     -11.540 -14.757  -6.690  1.00 21.46           C
+ATOM   4315  N   ALA D 138      -7.804 -12.254  -6.635  1.00 14.66           N
+ATOM   4316  CA  ALA D 138      -6.688 -11.339  -7.074  1.00 18.95           C
+ATOM   4317  C   ALA D 138      -5.417 -12.079  -7.070  1.00 18.17           C
+ATOM   4318  O   ALA D 138      -4.593 -11.997  -7.851  1.00 14.81           O
+ATOM   4319  CB  ALA D 138      -6.540 -10.040  -6.183  1.00 19.78           C
+ATOM   4320  N   ASN D 139      -5.187 -12.811  -5.928  1.00 15.30           N
+ATOM   4321  CA  ASN D 139      -3.937 -13.374  -5.586  1.00 18.41           C
+ATOM   4322  C   ASN D 139      -3.703 -14.483  -6.697  1.00 25.63           C
+ATOM   4323  O   ASN D 139      -2.635 -14.913  -7.329  1.00 23.38           O
+ATOM   4324  CB  ASN D 139      -3.989 -14.050  -4.592  1.00 50.89           C
+ATOM   4325  CG  ASN D 139      -3.194 -13.790  -3.503  1.00 63.06           C
+ATOM   4326  OD1 ASN D 139      -2.135 -15.017  -3.938  1.00 52.41           O
+ATOM   4327  ND2 ASN D 139      -3.072 -12.228  -3.482  1.00 29.84           N
+ATOM   4328  N   ALA D 140      -4.873 -15.260  -6.949  1.00 19.40           N
+ATOM   4329  CA  ALA D 140      -5.005 -16.402  -7.986  1.00 23.09           C
+ATOM   4330  C   ALA D 140      -4.740 -15.710  -9.403  1.00 18.16           C
+ATOM   4331  O   ALA D 140      -3.930 -16.420 -10.089  1.00 16.51           O
+ATOM   4332  CB  ALA D 140      -6.303 -16.997  -8.071  1.00 18.14           C
+ATOM   4333  N   LEU D 141      -5.172 -14.659  -9.775  1.00 14.97           N
+ATOM   4334  CA  LEU D 141      -4.899 -14.068 -11.011  1.00 14.94           C
+ATOM   4335  C   LEU D 141      -3.434 -13.602 -11.198  1.00 11.73           C
+ATOM   4336  O   LEU D 141      -2.840 -13.285 -12.242  1.00 15.21           O
+ATOM   4337  CB  LEU D 141      -6.006 -12.939 -11.311  1.00 15.16           C
+ATOM   4338  CG  LEU D 141      -7.325 -13.394 -11.757  1.00 17.87           C
+ATOM   4339  CD1 LEU D 141      -7.836 -12.121 -12.278  1.00 24.86           C
+ATOM   4340  CD2 LEU D 141      -6.860 -13.940 -13.382  1.00 16.07           C
+ATOM   4341  N   ALA D 142      -2.826 -13.097 -10.036  1.00 14.26           N
+ATOM   4342  CA  ALA D 142      -1.439 -12.718 -10.054  1.00 17.21           C
+ATOM   4343  C   ALA D 142      -0.379 -13.783  -9.991  1.00 18.46           C
+ATOM   4344  O   ALA D 142       0.751 -13.412 -10.228  1.00 18.92           O
+ATOM   4345  CB  ALA D 142      -1.279 -11.774  -8.892  1.00 19.11           C
+ATOM   4346  N   HIS D 143      -0.748 -15.020  -9.767  1.00 19.75           N
+ATOM   4347  CA  HIS D 143       0.079 -16.200  -9.518  1.00 26.63           C
+ATOM   4348  C   HIS D 143       1.176 -16.436 -10.670  1.00 23.72           C
+ATOM   4349  O   HIS D 143       2.224 -16.803 -10.136  1.00 24.41           O
+ATOM   4350  CB  HIS D 143      -0.669 -17.339  -8.942  1.00 25.89           C
+ATOM   4351  CG  HIS D 143       0.097 -18.406  -8.683  1.00 56.45           C
+ATOM   4352  ND1 HIS D 143       0.122 -19.475  -9.292  1.00 44.25           N
+ATOM   4353  CD2 HIS D 143       1.035 -18.261  -7.098  1.00 48.81           C
+ATOM   4354  CE1 HIS D 143       1.293 -20.089  -8.356  1.00 56.93           C
+ATOM   4355  NE2 HIS D 143       1.407 -19.517  -7.123  1.00 49.27           N
+ATOM   4356  N   LYS D 144       0.773 -16.313 -11.824  1.00 19.26           N
+ATOM   4357  CA  LYS D 144       1.442 -16.574 -13.172  1.00 33.94           C
+ATOM   4358  C   LYS D 144       2.421 -15.633 -13.479  1.00 32.28           C
+ATOM   4359  O   LYS D 144       2.996 -15.637 -14.654  1.00 23.60           O
+ATOM   4360  CB  LYS D 144       1.055 -17.526 -13.968  1.00 31.20           C
+ATOM   4361  CG  LYS D 144       0.220 -18.870 -13.388  1.00 40.85           C
+ATOM   4362  CD  LYS D 144       1.002 -19.972 -13.512  1.00 59.03           C
+ATOM   4363  CE  LYS D 144       0.888 -21.048 -13.306  1.00 56.19           C
+ATOM   4364  NZ  LYS D 144       1.510 -22.846 -14.338  1.00 70.96           N
+ATOM   4365  N   TYR D 145       2.435 -14.424 -12.946  1.00 24.92           N
+ATOM   4366  CA  TYR D 145       3.207 -13.372 -13.244  1.00 29.13           C
+ATOM   4367  C   TYR D 145       4.717 -13.524 -13.102  1.00 38.17           C
+ATOM   4368  O   TYR D 145       5.061 -14.114 -12.139  1.00 27.99           O
+ATOM   4369  CB  TYR D 145       2.744 -12.016 -12.590  1.00 17.99           C
+ATOM   4370  CG  TYR D 145       1.621 -11.268 -13.262  1.00 17.42           C
+ATOM   4371  CD1 TYR D 145       1.523 -10.110 -13.925  1.00 16.93           C
+ATOM   4372  CD2 TYR D 145       0.375 -12.020 -13.134  1.00 18.60           C
+ATOM   4373  CE1 TYR D 145       0.498  -9.521 -14.492  1.00 17.99           C
+ATOM   4374  CE2 TYR D 145      -0.813 -11.356 -13.802  1.00 14.96           C
+ATOM   4375  CZ  TYR D 145      -0.763 -10.275 -14.381  1.00 12.85           C
+ATOM   4376  OH  TYR D 145      -1.813  -9.580 -14.987  1.00 13.31           O
+ATOM   4377  N   HIS D 146       5.428 -13.165 -14.072  1.00 26.11           N
+ATOM   4378  CA  HIS D 146       7.054 -13.167 -14.050  1.00 31.89           C
+ATOM   4379  C   HIS D 146       7.429 -12.153 -15.048  1.00 21.33           C
+ATOM   4380  O   HIS D 146       6.931 -11.249 -15.530  1.00 27.92           O
+ATOM   4381  CB  HIS D 146       7.223 -14.769 -14.665  1.00 30.13           C
+ATOM   4382  CG  HIS D 146       6.497 -14.789 -15.882  1.00 40.51           C
+ATOM   4383  ND1 HIS D 146       7.552 -14.702 -17.398  1.00 47.51           N
+ATOM   4384  CD2 HIS D 146       5.784 -14.325 -16.776  1.00 45.49           C
+ATOM   4385  CE1 HIS D 146       7.188 -14.800 -17.949  1.00 56.67           C
+ATOM   4386  NE2 HIS D 146       5.714 -14.339 -18.353  1.00 37.33           N
+ATOM   4387  OXT HIS D 146       8.812 -12.134 -14.847  1.00 21.61           O
+TER    4388      HIS D 146
+HETATM 4389  CHA HEM A 142       8.585   7.902 -18.282  1.00 16.31           C
+HETATM 4390  CHB HEM A 142      10.355   9.805 -14.208  1.00 26.27           C
+HETATM 4391  CHC HEM A 142       8.341   6.363 -11.589  1.00 13.23           C
+HETATM 4392  CHD HEM A 142       6.988   4.088 -15.744  1.00 14.77           C
+HETATM 4393  C1A HEM A 142       9.141   8.725 -17.504  1.00 17.40           C
+HETATM 4394  C2A HEM A 142      10.098   9.952 -17.887  1.00 18.53           C
+HETATM 4395  C3A HEM A 142      10.636  10.499 -16.796  1.00 18.36           C
+HETATM 4396  C4A HEM A 142      10.137   9.679 -15.611  1.00 16.88           C
+HETATM 4397  CMA HEM A 142      11.613  11.590 -16.732  1.00 21.20           C
+HETATM 4398  CAA HEM A 142      10.403  10.367 -19.312  1.00 25.54           C
+HETATM 4399  CBA HEM A 142       9.552  11.270 -19.659  1.00 31.38           C
+HETATM 4400  CGA HEM A 142      10.793  12.286 -21.342  1.00 44.82           C
+HETATM 4401  O1A HEM A 142       9.887  11.345 -21.943  1.00 39.10           O
+HETATM 4402  O2A HEM A 142       9.308  12.698 -21.487  1.00 54.71           O
+HETATM 4403  C1B HEM A 142       9.938   9.271 -13.145  1.00 23.63           C
+HETATM 4404  C2B HEM A 142      10.318   9.380 -11.838  1.00 11.67           C
+HETATM 4405  C3B HEM A 142       9.660   8.341 -11.052  1.00 17.41           C
+HETATM 4406  C4B HEM A 142       9.028   7.467 -11.975  1.00 14.84           C
+HETATM 4407  CMB HEM A 142      11.048  10.634 -11.389  1.00 12.32           C
+HETATM 4408  CAB HEM A 142       9.567   8.336  -9.634  1.00 24.30           C
+HETATM 4409  CBB HEM A 142      10.576   8.441  -8.785  1.00 28.40           C
+HETATM 4410  C1C HEM A 142       7.680   5.498 -12.499  1.00 13.39           C
+HETATM 4411  C2C HEM A 142       7.270   4.198 -12.170  1.00 11.20           C
+HETATM 4412  C3C HEM A 142       6.975   3.441 -13.304  1.00  8.94           C
+HETATM 4413  C4C HEM A 142       7.207   4.445 -14.517  1.00 10.29           C
+HETATM 4414  CMC HEM A 142       7.098   3.618 -10.845  1.00 13.77           C
+HETATM 4415  CAC HEM A 142       6.342   2.184 -13.525  1.00 13.45           C
+HETATM 4416  CBC HEM A 142       6.722   1.153 -12.766  1.00 11.27           C
+HETATM 4417  C1D HEM A 142       7.302   4.989 -16.733  1.00 11.32           C
+HETATM 4418  C2D HEM A 142       7.141   4.644 -18.240  1.00 16.69           C
+HETATM 4419  C3D HEM A 142       7.540   5.718 -18.887  1.00 20.49           C
+HETATM 4420  C4D HEM A 142       8.172   6.582 -18.158  1.00 16.46           C
+HETATM 4421  CMD HEM A 142       6.354   3.385 -18.817  1.00 19.45           C
+HETATM 4422  CAD HEM A 142       7.621   5.740 -20.408  1.00 21.31           C
+HETATM 4423  CBD HEM A 142       8.764   5.354 -20.767  1.00 38.22           C
+HETATM 4424  CGD HEM A 142       9.138   5.049 -22.798  1.00 41.21           C
+HETATM 4425  O1D HEM A 142       9.998   5.836 -22.703  1.00 42.81           O
+HETATM 4426  O2D HEM A 142       8.349   4.920 -23.144  1.00 40.12           O
+HETATM 4427  NA  HEM A 142       9.397   8.686 -16.211  1.00 16.46           N
+HETATM 4428  NB  HEM A 142       9.343   8.012 -13.298  1.00 12.29           N
+HETATM 4429  NC  HEM A 142       7.604   5.533 -13.949  1.00 15.07           N
+HETATM 4430  ND  HEM A 142       7.715   6.202 -16.788  1.00 13.07           N
+HETATM 4431 FE   HEM A 142       8.116   7.403 -15.045  1.00 18.07          FE
+HETATM 4432  P   PO4 B 147       5.931 -21.573   3.319  1.00 32.97           P
+HETATM 4433  CHA HEM B 148       9.659 -10.155  20.773  1.00 21.59           C
+HETATM 4434  CHB HEM B 148      11.121 -12.190  16.575  1.00 16.50           C
+HETATM 4435  CHC HEM B 148       9.762  -8.175  14.122  1.00 16.82           C
+HETATM 4436  CHD HEM B 148       8.223  -6.187  18.294  1.00 16.19           C
+HETATM 4437  C1A HEM B 148      10.199 -10.977  19.856  1.00 24.57           C
+HETATM 4438  C2A HEM B 148      10.940 -12.186  20.114  1.00 17.10           C
+HETATM 4439  C3A HEM B 148      11.529 -12.852  19.028  1.00 13.46           C
+HETATM 4440  C4A HEM B 148      10.911 -11.942  17.916  1.00 18.78           C
+HETATM 4441  CMA HEM B 148      12.211 -14.084  18.855  1.00 20.21           C
+HETATM 4442  CAA HEM B 148      11.171 -12.750  21.554  1.00 21.16           C
+HETATM 4443  CBA HEM B 148      10.089 -13.674  21.941  1.00 27.78           C
+HETATM 4444  CGA HEM B 148       9.936 -14.643  23.585  1.00 59.12           C
+HETATM 4445  O1A HEM B 148      10.040 -13.299  24.151  1.00 44.32           O
+HETATM 4446  O2A HEM B 148       9.582 -15.171  23.405  1.00 46.16           O
+HETATM 4447  C1B HEM B 148      10.820 -11.284  15.524  1.00 10.36           C
+HETATM 4448  C2B HEM B 148      11.247 -11.528  14.048  1.00  7.33           C
+HETATM 4449  C3B HEM B 148      10.827 -10.448  13.495  1.00 15.63           C
+HETATM 4450  C4B HEM B 148      10.176  -9.458  14.534  1.00 15.33           C
+HETATM 4451  CMB HEM B 148      11.793 -12.748  13.802  1.00 14.96           C
+HETATM 4452  CAB HEM B 148      10.965 -10.083  11.934  1.00 19.63           C
+HETATM 4453  CBB HEM B 148      12.063 -10.466  11.288  1.00 39.39           C
+HETATM 4454  C1C HEM B 148       9.223  -7.280  15.193  1.00 14.39           C
+HETATM 4455  C2C HEM B 148       8.943  -5.947  14.698  1.00 10.78           C
+HETATM 4456  C3C HEM B 148       8.461  -5.188  15.934  1.00 10.68           C
+HETATM 4457  C4C HEM B 148       8.575  -6.422  16.809  1.00  8.70           C
+HETATM 4458  CMC HEM B 148       9.067  -5.306  13.381  1.00 13.95           C
+HETATM 4459  CAC HEM B 148       7.915  -3.899  16.132  1.00 11.87           C
+HETATM 4460  CBC HEM B 148       8.359  -2.863  15.599  1.00 12.63           C
+HETATM 4461  C1D HEM B 148       8.576  -7.046  19.346  1.00 18.32           C
+HETATM 4462  C2D HEM B 148       8.195  -6.791  20.753  1.00 15.48           C
+HETATM 4463  C3D HEM B 148       8.512  -8.051  21.256  1.00 14.57           C
+HETATM 4464  C4D HEM B 148       9.290  -8.905  20.340  1.00 20.76           C
+HETATM 4465  CMD HEM B 148       7.722  -5.449  21.269  1.00 27.50           C
+HETATM 4466  CAD HEM B 148       8.696  -7.989  22.865  1.00 13.85           C
+HETATM 4467  CBD HEM B 148      10.051  -7.739  23.453  1.00 17.11           C
+HETATM 4468  CGD HEM B 148      10.333  -8.222  25.219  1.00 27.09           C
+HETATM 4469  O1D HEM B 148      11.372  -7.572  25.386  1.00 27.49           O
+HETATM 4470  O2D HEM B 148       9.169  -8.132  25.625  1.00 23.65           O
+HETATM 4471  NA  HEM B 148      10.260 -10.823  18.453  1.00 15.64           N
+HETATM 4472  NB  HEM B 148      10.199 -10.051  15.722  1.00 12.71           N
+HETATM 4473  NC  HEM B 148       9.104  -7.643  16.544  1.00 11.22           N
+HETATM 4474  ND  HEM B 148       9.090  -8.239  19.067  1.00 16.72           N
+HETATM 4475 FE   HEM B 148       9.333  -9.335  17.389  1.00 15.00          FE
+HETATM 4476  CHA HEM C 142      -8.630   7.776  18.352  1.00 18.96           C
+HETATM 4477  CHB HEM C 142     -10.320  10.048  14.384  1.00 20.49           C
+HETATM 4478  CHC HEM C 142      -8.304   6.446  11.794  1.00 15.25           C
+HETATM 4479  CHD HEM C 142      -6.900   4.052  15.698  1.00 14.70           C
+HETATM 4480  C1A HEM C 142      -9.195   8.664  17.417  1.00 16.72           C
+HETATM 4481  C2A HEM C 142     -10.045   9.791  17.916  1.00 15.73           C
+HETATM 4482  C3A HEM C 142     -10.613  10.462  16.942  1.00 17.27           C
+HETATM 4483  C4A HEM C 142     -10.077   9.749  15.710  1.00 12.07           C
+HETATM 4484  CMA HEM C 142     -11.422  11.658  16.756  1.00 31.88           C
+HETATM 4485  CAA HEM C 142     -10.321  10.351  19.308  1.00 24.60           C
+HETATM 4486  CBA HEM C 142      -9.201  11.341  19.696  1.00 36.28           C
+HETATM 4487  CGA HEM C 142     -10.014  12.024  21.724  1.00 43.70           C
+HETATM 4488  O1A HEM C 142      -9.511  10.786  22.089  1.00 38.93           O
+HETATM 4489  O2A HEM C 142      -9.503  12.583  21.415  1.00 46.28           O
+HETATM 4490  C1B HEM C 142      -9.882   9.419  13.260  1.00 18.45           C
+HETATM 4491  C2B HEM C 142     -10.342   9.474  11.782  1.00 12.95           C
+HETATM 4492  C3B HEM C 142      -9.631   8.558  11.160  1.00 12.49           C
+HETATM 4493  C4B HEM C 142      -8.945   7.665  12.157  1.00  8.33           C
+HETATM 4494  CMB HEM C 142     -11.015  10.631  11.441  1.00 15.16           C
+HETATM 4495  CAB HEM C 142      -9.701   8.335   9.552  1.00 21.83           C
+HETATM 4496  CBB HEM C 142     -10.742   8.875   9.052  1.00 33.11           C
+HETATM 4497  C1C HEM C 142      -7.751   5.629  12.596  1.00 15.97           C
+HETATM 4498  C2C HEM C 142      -7.320   4.232  12.130  1.00  9.41           C
+HETATM 4499  C3C HEM C 142      -6.879   3.543  13.304  1.00 11.73           C
+HETATM 4500  C4C HEM C 142      -7.009   4.441  14.484  1.00 15.36           C
+HETATM 4501  CMC HEM C 142      -7.210   3.774  10.722  1.00 13.23           C
+HETATM 4502  CAC HEM C 142      -6.459   2.233  13.437  1.00 19.55           C
+HETATM 4503  CBC HEM C 142      -6.761   1.082  12.572  1.00 14.52           C
+HETATM 4504  C1D HEM C 142      -7.305   4.996  16.751  1.00 11.54           C
+HETATM 4505  C2D HEM C 142      -6.959   4.620  18.250  1.00 12.94           C
+HETATM 4506  C3D HEM C 142      -7.527   5.654  18.907  1.00 11.38           C
+HETATM 4507  C4D HEM C 142      -7.947   6.663  18.081  1.00 11.29           C
+HETATM 4508  CMD HEM C 142      -6.299   3.375  18.648  1.00 13.29           C
+HETATM 4509  CAD HEM C 142      -7.594   5.618  20.504  1.00 15.84           C
+HETATM 4510  CBD HEM C 142      -8.833   5.076  20.877  1.00 21.27           C
+HETATM 4511  CGD HEM C 142      -9.085   5.314  22.774  1.00 26.94           C
+HETATM 4512  O1D HEM C 142     -10.036   5.486  22.824  1.00 30.21           O
+HETATM 4513  O2D HEM C 142      -8.326   4.541  23.113  1.00 25.95           O
+HETATM 4514  NA  HEM C 142      -9.276   8.702  16.089  1.00 16.55           N
+HETATM 4515  NB  HEM C 142      -9.138   8.185  13.333  1.00 12.79           N
+HETATM 4516  NC  HEM C 142      -7.518   5.627  13.990  1.00 12.28           N
+HETATM 4517  ND  HEM C 142      -7.740   6.303  16.793  1.00 12.30           N
+HETATM 4518 FE   HEM C 142      -8.129   7.348  15.002  1.00 16.89          FE
+HETATM 4519  P   PO4 D 147      -6.147 -21.111  -3.332  1.00 31.17           P
+HETATM 4520  CHA HEM D 148      -9.813  -9.884 -20.599  1.00 19.84           C
+HETATM 4521  CHB HEM D 148     -11.252 -11.989 -16.610  1.00 16.61           C
+HETATM 4522  CHC HEM D 148      -9.951  -8.302 -14.119  1.00 13.93           C
+HETATM 4523  CHD HEM D 148      -8.200  -5.985 -18.127  1.00 15.88           C
+HETATM 4524  C1A HEM D 148     -10.428 -10.865 -19.783  1.00 28.09           C
+HETATM 4525  C2A HEM D 148     -11.318 -12.071 -20.258  1.00 22.30           C
+HETATM 4526  C3A HEM D 148     -11.693 -12.664 -19.188  1.00 22.59           C
+HETATM 4527  C4A HEM D 148     -11.051 -11.756 -18.004  1.00 25.38           C
+HETATM 4528  CMA HEM D 148     -12.566 -13.772 -18.973  1.00 20.23           C
+HETATM 4529  CAA HEM D 148     -11.486 -12.464 -21.884  1.00 19.24           C
+HETATM 4530  CBA HEM D 148     -10.405 -12.971 -22.194  1.00 50.08           C
+HETATM 4531  CGA HEM D 148      -9.805 -13.296 -24.484  1.00 47.00           C
+HETATM 4532  O1A HEM D 148     -11.117 -13.581 -24.158  1.00 49.99           O
+HETATM 4533  O2A HEM D 148      -9.172 -14.946 -24.346  1.00 55.24           O
+HETATM 4534  C1B HEM D 148     -10.937 -11.332 -15.462  1.00 14.32           C
+HETATM 4535  C2B HEM D 148     -11.232 -11.509 -14.176  1.00 15.75           C
+HETATM 4536  C3B HEM D 148     -10.801 -10.525 -13.479  1.00 14.95           C
+HETATM 4537  C4B HEM D 148     -10.217  -9.585 -14.421  1.00 12.78           C
+HETATM 4538  CMB HEM D 148     -11.799 -12.726 -13.757  1.00 18.74           C
+HETATM 4539  CAB HEM D 148     -10.869 -10.291 -11.895  1.00 16.19           C
+HETATM 4540  CBB HEM D 148     -11.756 -10.396 -11.494  1.00 34.22           C
+HETATM 4541  C1C HEM D 148      -9.469  -7.417 -14.891  1.00 14.15           C
+HETATM 4542  C2C HEM D 148      -8.915  -5.898 -14.609  1.00 16.84           C
+HETATM 4543  C3C HEM D 148      -8.353  -5.322 -15.741  1.00 13.21           C
+HETATM 4544  C4C HEM D 148      -8.605  -6.360 -16.751  1.00 15.07           C
+HETATM 4545  CMC HEM D 148      -9.128  -5.229 -13.166  1.00 18.77           C
+HETATM 4546  CAC HEM D 148      -7.843  -4.077 -15.916  1.00 13.84           C
+HETATM 4547  CBC HEM D 148      -8.331  -3.032 -15.408  1.00 20.77           C
+HETATM 4548  C1D HEM D 148      -8.465  -7.065 -19.281  1.00 18.28           C
+HETATM 4549  C2D HEM D 148      -8.394  -6.595 -20.574  1.00 20.40           C
+HETATM 4550  C3D HEM D 148      -8.861  -7.841 -21.341  1.00 19.16           C
+HETATM 4551  C4D HEM D 148      -9.573  -8.702 -20.531  1.00 19.80           C
+HETATM 4552  CMD HEM D 148      -7.686  -5.397 -21.106  1.00 25.65           C
+HETATM 4553  CAD HEM D 148      -8.956  -7.733 -22.890  1.00 23.94           C
+HETATM 4554  CBD HEM D 148     -10.040  -6.949 -23.304  1.00 45.78           C
+HETATM 4555  CGD HEM D 148     -10.579  -7.365 -25.200  1.00 48.49           C
+HETATM 4556  O1D HEM D 148      -9.907  -5.916 -25.395  1.00 40.71           O
+HETATM 4557  O2D HEM D 148      -9.982  -7.978 -25.490  1.00 45.79           O
+HETATM 4558  NA  HEM D 148     -10.454 -10.804 -18.459  1.00 15.98           N
+HETATM 4559  NB  HEM D 148     -10.364  -9.999 -15.688  1.00 14.27           N
+HETATM 4560  NC  HEM D 148      -9.228  -7.489 -16.235  1.00 12.21           N
+HETATM 4561  ND  HEM D 148      -9.282  -8.209 -19.162  1.00 12.94           N
+HETATM 4562 FE   HEM D 148      -9.504  -9.265 -17.387  1.00 15.46          FE
+HETATM 4563  O   HOH A 143      27.864   0.667   0.584  1.00 21.15           O
+HETATM 4564  O   HOH A 144      10.459   5.072 -14.201  1.00 29.96           O
+HETATM 4565  O   HOH A 145      17.782  -1.325 -26.109  1.00 23.65           O
+HETATM 4566  O   HOH A 146      13.825   2.114   3.861  1.00 23.17           O
+HETATM 4567  O   HOH A 147      16.741  12.813   9.083  1.00 26.86           O
+HETATM 4568  O   HOH A 148      22.374   9.235  11.515  1.00 30.53           O
+HETATM 4569  O   HOH A 149      25.903  -1.921  -7.245  1.00 27.68           O
+HETATM 4570  O   HOH A 150      11.472   3.167   0.508  1.00 27.27           O
+HETATM 4571  O   HOH A 151      30.661   6.822  -0.101  1.00 29.31           O
+HETATM 4572  O   HOH A 152      -3.585   1.717  -5.969  1.00 29.54           O
+HETATM 4573  O   HOH A 153      32.341  10.298   6.014  1.00 35.74           O
+HETATM 4574  O   HOH A 154      34.406  10.442   4.080  1.00 31.58           O
+HETATM 4575  O   HOH A 155      30.017   0.297  -1.177  1.00 37.73           O
+HETATM 4576  O   HOH A 156      21.428  14.396 -13.024  1.00 37.58           O
+HETATM 4577  O   HOH A 157      10.103   6.463  -0.224  1.00 29.83           O
+HETATM 4578  O   HOH A 158      28.011  -0.672  -5.493  1.00 34.75           O
+HETATM 4579  O   HOH A 159      12.221   6.676 -21.742  1.00 35.95           O
+HETATM 4580  O   HOH A 160       0.070  13.369 -11.506  1.00 27.36           O
+HETATM 4581  O   HOH A 161       6.073  -7.542  -8.224  1.00 27.80           O
+HETATM 4582  O   HOH A 162       0.959  -1.910 -19.919  1.00 29.65           O
+HETATM 4583  O   HOH A 163      -5.435   9.067 -14.288  1.00 30.27           O
+HETATM 4584  O   HOH A 164       3.108  18.897 -10.351  1.00 37.13           O
+HETATM 4585  O   HOH A 165       9.253   2.690  -0.595  1.00 31.92           O
+HETATM 4586  O   HOH A 166       3.509   1.516 -20.390  1.00 30.86           O
+HETATM 4587  O   HOH A 167       7.323   6.472  -2.528  1.00 34.91           O
+HETATM 4588  O   HOH A 168       8.069  21.100  -2.836  1.00 34.13           O
+HETATM 4589  O   HOH A 169      22.069   5.076 -17.599  1.00 36.10           O
+HETATM 4590  O   HOH A 170      12.511  23.031 -13.238  1.00 37.77           O
+HETATM 4591  O   HOH A 171      27.846   5.439   7.283  1.00 39.01           O
+HETATM 4592  O   HOH A 172      16.593  -6.697  -7.432  1.00 35.74           O
+HETATM 4593  O   HOH A 173      19.969  -3.554 -17.319  1.00 36.03           O
+HETATM 4594  O   HOH A 174      14.440  13.918 -17.292  1.00 34.06           O
+HETATM 4595  O   HOH A 175      30.151   3.417  -5.741  1.00 35.04           O
+HETATM 4596  O   HOH A 176       8.360   5.321   2.557  1.00 38.02           O
+HETATM 4597  O   HOH A 177      -6.479  11.748 -17.967  1.00 39.72           O
+HETATM 4598  O   HOH A 178       8.608  18.432 -15.341  1.00 36.40           O
+HETATM 4599  O   HOH A 179      13.827  13.620   8.994  1.00 37.52           O
+HETATM 4600  O   HOH A 180      16.070  12.039  11.262  1.00 38.53           O
+HETATM 4601  O   HOH A 181       2.747   5.937  -4.128  1.00 42.85           O
+HETATM 4602  O   HOH A 182       7.523  20.881 -15.648  1.00 39.27           O
+HETATM 4603  O   HOH A 183      11.712 -10.960  -5.769  1.00 38.61           O
+HETATM 4604  O   HOH A 184      30.119   4.139  -8.587  1.00 34.80           O
+HETATM 4605  O   HOH A 185      25.533   1.205 -11.184  1.00 42.30           O
+HETATM 4606  O   HOH A 186      -4.812  12.384  -7.265  1.00 38.29           O
+HETATM 4607  O   HOH A 187      23.809  19.925   1.758  1.00 39.37           O
+HETATM 4608  O   HOH A 188      26.015  11.766   5.159  1.00 40.95           O
+HETATM 4609  O   HOH A 189      14.639  24.823  -4.300  1.00 41.35           O
+HETATM 4610  O   HOH A 190      14.903   5.393 -23.047  1.00 37.45           O
+HETATM 4611  O   HOH A 191      16.650  -5.137 -16.717  1.00 39.12           O
+HETATM 4612  O   HOH A 192       7.424  -6.700 -20.085  1.00 38.62           O
+HETATM 4613  O   HOH A 193      23.120  -3.118 -12.992  1.00 37.05           O
+HETATM 4614  O   HOH A 194      23.664   0.968 -14.389  1.00 36.25           O
+HETATM 4615  O   HOH A 195      25.698   7.981 -15.362  1.00 35.85           O
+HETATM 4616  O   HOH A 196      30.009  16.347  -6.794  1.00 37.62           O
+HETATM 4617  O   HOH A 197      27.728  16.677  -1.376  1.00 42.54           O
+HETATM 4618  O   HOH A 198       8.142  18.836   1.041  1.00 39.90           O
+HETATM 4619  O   HOH B 149       0.093  -2.470  16.222  1.00 21.64           O
+HETATM 4620  O   HOH B 150      -5.404  -9.289  14.863  1.00 29.94           O
+HETATM 4621  O   HOH B 151      17.543 -13.863  -8.044  1.00 26.33           O
+HETATM 4622  O   HOH B 152      10.126  -8.396  -0.639  1.00 27.87           O
+HETATM 4623  O   HOH B 153      25.765  -4.888  -7.482  1.00 33.60           O
+HETATM 4624  O   HOH B 154      31.028  -6.924  -0.005  1.00 27.86           O
+HETATM 4625  O   HOH B 155      10.572  -9.505   7.329  1.00 34.89           O
+HETATM 4626  O   HOH B 156       2.908 -19.221  10.523  1.00 29.82           O
+HETATM 4627  O   HOH B 157      27.245 -11.383  -5.263  1.00 34.30           O
+HETATM 4628  O   HOH B 158       5.726 -17.664   4.076  1.00 29.36           O
+HETATM 4629  O   HOH B 159      30.677  -1.382  -3.264  1.00 34.23           O
+HETATM 4630  O   HOH B 160      21.396 -19.202   9.299  1.00 34.06           O
+HETATM 4631  O   HOH B 161       3.400  -4.625  22.878  1.00 34.98           O
+HETATM 4632  O   HOH B 162      23.029   7.858  13.868  1.00 34.02           O
+HETATM 4633  O   HOH B 163      10.054   0.537   2.970  1.00 33.29           O
+HETATM 4634  O   HOH B 164      16.523 -14.815  19.144  1.00 32.12           O
+HETATM 4635  O   HOH B 165      -3.521  -7.996  18.788  1.00 35.56           O
+HETATM 4636  O   HOH B 166       9.429  -6.067   3.140  1.00 34.98           O
+HETATM 4637  O   HOH B 167      25.800 -14.208  -2.740  1.00 37.65           O
+HETATM 4638  O   HOH B 168       0.313 -14.430   5.859  1.00 34.45           O
+HETATM 4639  O   HOH B 169      25.879 -15.224  10.033  1.00 33.37           O
+HETATM 4640  O   HOH B 170      35.602  -4.153  -9.289  1.00 35.71           O
+HETATM 4641  O   HOH B 171      20.781   6.254  23.632  1.00 38.68           O
+HETATM 4642  O   HOH B 172      21.800 -18.543  12.994  1.00 40.56           O
+HETATM 4643  O   HOH B 173       7.807 -19.735  16.230  1.00 34.56           O
+HETATM 4644  O   HOH B 174      -2.047 -12.487  30.048  1.00 36.28           O
+HETATM 4645  O   HOH B 175      13.681  -7.349  23.790  1.00 31.60           O
+HETATM 4646  O   HOH B 176      24.831 -18.968   5.896  1.00 34.00           O
+HETATM 4647  O   HOH B 177       5.475  -5.297  23.977  1.00 36.71           O
+HETATM 4648  O   HOH B 178      15.904  -5.466  24.689  1.00 34.84           O
+HETATM 4649  O   HOH B 179      22.123   0.182  16.584  1.00 33.20           O
+HETATM 4650  O   HOH B 180      19.207 -15.705  -9.408  1.00 37.19           O
+HETATM 4651  O   HOH B 181      25.174 -12.029  -8.381  1.00 35.87           O
+HETATM 4652  O   HOH B 182     -10.362 -13.333  12.465  1.00 36.08           O
+HETATM 4653  O   HOH B 183      12.092   8.997  23.297  1.00 38.22           O
+HETATM 4654  O   HOH B 184       7.727   5.204  22.116  1.00 43.17           O
+HETATM 4655  O   HOH B 185      30.137 -14.006  10.129  1.00 36.03           O
+HETATM 4656  O   HOH B 186      13.730 -18.833  14.202  1.00 39.57           O
+HETATM 4657  O   HOH B 187      22.379   8.870  23.585  1.00 37.45           O
+HETATM 4658  O   HOH B 188      -4.205 -14.646   8.671  1.00 38.65           O
+HETATM 4659  O   HOH B 189      12.589  14.261  19.653  1.00 36.93           O
+HETATM 4660  O   HOH B 190      24.652   6.230  17.996  1.00 42.01           O
+HETATM 4661  O   HOH B 191       8.775 -23.438  16.055  1.00 42.33           O
+HETATM 4662  O   HOH B 192      -7.480 -10.898  17.998  1.00 38.06           O
+HETATM 4663  O   HOH B 193      11.388 -11.044  24.763  1.00 39.34           O
+HETATM 4664  O   HOH B 194       3.735  -3.643   2.734  1.00 42.17           O
+HETATM 4665  O   HOH B 195       3.149  -0.692   2.083  1.00 41.40           O
+HETATM 4666  O   HOH B 196       4.511 -25.886  13.006  1.00 39.83           O
+HETATM 4667  O   HOH B 197       8.712 -21.655   3.577  1.00 43.08           O
+HETATM 4668  O   HOH B 198      22.926  -4.304  24.079  1.00 38.10           O
+HETATM 4669  O   HOH B 199      11.435   9.654  20.618  1.00 40.23           O
+HETATM 4670  O   HOH B 200      18.099   5.542  27.744  1.00 39.03           O
+HETATM 4671  O   HOH B 201      12.174   9.951   9.804  1.00 44.34           O
+HETATM 4672  O   HOH B 202      24.745  -2.501  15.270  1.00 39.78           O
+HETATM 4673  O   HOH B 203      24.231   0.100  14.764  1.00 42.94           O
+HETATM 4674  O   HOH B 204      23.324 -18.136  10.981  1.00 53.60           O
+HETATM 4675  O   HOH B 205      25.576 -22.211   6.309  1.00 45.18           O
+HETATM 4676  O   HOH C 143      -2.661  -3.608   9.261  1.00 21.26           O
+HETATM 4677  O   HOH C 144       0.111  13.200  11.373  1.00 21.54           O
+HETATM 4678  O   HOH C 145     -16.704  12.691  -9.201  1.00 23.30           O
+HETATM 4679  O   HOH C 146     -13.774   2.466  -4.032  1.00 22.15           O
+HETATM 4680  O   HOH C 147       5.273   9.077  14.193  1.00 28.02           O
+HETATM 4681  O   HOH C 148     -11.466   3.494  -0.405  1.00 32.97           O
+HETATM 4682  O   HOH C 149     -10.454   4.898  14.327  1.00 33.04           O
+HETATM 4683  O   HOH C 150      -7.824   6.701   2.273  1.00 27.40           O
+HETATM 4684  O   HOH C 151      -1.248  -1.596  20.098  1.00 29.84           O
+HETATM 4685  O   HOH C 152       2.150  -0.244  14.446  1.00 30.74           O
+HETATM 4686  O   HOH C 153      -2.060  18.771  19.773  1.00 29.22           O
+HETATM 4687  O   HOH C 154     -21.154  14.002  13.362  1.00 32.40           O
+HETATM 4688  O   HOH C 155      -9.105   3.030   0.663  1.00 28.46           O
+HETATM 4689  O   HOH C 156       0.739  12.802   4.676  1.00 38.51           O
+HETATM 4690  O   HOH C 157      -8.549  18.107  15.436  1.00 35.20           O
+HETATM 4691  O   HOH C 158      -3.358   1.489  20.400  1.00 39.88           O
+HETATM 4692  O   HOH C 159      -2.351  -4.643   6.766  1.00 36.39           O
+HETATM 4693  O   HOH C 160      -9.995   6.820   0.255  1.00 29.81           O
+HETATM 4694  O   HOH C 161      -1.621  21.259  16.530  1.00 33.74           O
+HETATM 4695  O   HOH C 162      -5.469  23.850  15.062  1.00 31.03           O
+HETATM 4696  O   HOH C 163       3.572   1.751   6.044  1.00 29.72           O
+HETATM 4697  O   HOH C 164     -12.295   6.520  21.611  1.00 31.11           O
+HETATM 4698  O   HOH C 165     -14.251  13.845  17.234  1.00 30.77           O
+HETATM 4699  O   HOH C 166     -17.414  -5.952  27.962  1.00 34.94           O
+HETATM 4700  O   HOH C 167      -3.547  16.435  20.027  1.00 34.58           O
+HETATM 4701  O   HOH C 168     -16.355  -6.652   7.174  1.00 37.69           O
+HETATM 4702  O   HOH C 169      -7.541  12.855  -2.773  1.00 34.39           O
+HETATM 4703  O   HOH C 170      -4.225   9.070   1.455  1.00 35.72           O
+HETATM 4704  O   HOH C 171     -25.974  -1.828   7.173  1.00 32.50           O
+HETATM 4705  O   HOH C 172      -9.581  -6.364  21.942  1.00 37.91           O
+HETATM 4706  O   HOH C 173     -14.874   4.521  23.126  1.00 36.81           O
+HETATM 4707  O   HOH C 174     -15.534  20.875 -10.339  1.00 37.83           O
+HETATM 4708  O   HOH C 175      -8.242  21.385   2.969  1.00 35.70           O
+HETATM 4709  O   HOH C 176      -5.634  24.523   6.954  1.00 37.22           O
+HETATM 4710  O   HOH C 177     -22.981  14.501  -8.660  1.00 34.30           O
+HETATM 4711  O   HOH C 178     -13.871  16.688 -10.143  1.00 36.92           O
+HETATM 4712  O   HOH C 179     -20.275  19.235   8.097  1.00 34.30           O
+HETATM 4713  O   HOH C 180       1.720  15.273   3.670  1.00 39.46           O
+HETATM 4714  O   HOH C 181      -2.824  18.993  10.315  1.00 37.49           O
+HETATM 4715  O   HOH C 182      -2.160   0.091  22.111  1.00 39.39           O
+HETATM 4716  O   HOH C 183       7.922  12.037  14.216  1.00 34.40           O
+HETATM 4717  O   HOH C 184      -2.698   5.986   4.174  1.00 37.01           O
+HETATM 4718  O   HOH C 185       6.321  10.115   3.931  1.00 35.17           O
+HETATM 4719  O   HOH C 186      -7.096  21.140  15.539  1.00 35.39           O
+HETATM 4720  O   HOH C 187     -10.581  17.364  16.459  1.00 39.95           O
+HETATM 4721  O   HOH C 188      -4.668  13.050  -0.747  1.00 39.36           O
+HETATM 4722  O   HOH C 189      -4.764  -6.228   5.515  1.00 40.89           O
+HETATM 4723  O   HOH C 190       4.693  12.083   7.558  1.00 40.24           O
+HETATM 4724  O   HOH C 191      -4.731  16.453   2.295  1.00 36.37           O
+HETATM 4725  O   HOH C 192      -1.055  11.866  -0.448  1.00 43.19           O
+HETATM 4726  O   HOH C 193     -18.517  -8.355  15.267  1.00 35.55           O
+HETATM 4727  O   HOH C 194       6.547   9.706  16.296  1.00 41.86           O
+HETATM 4728  O   HOH C 195       0.029  22.606  14.164  1.00 43.02           O
+HETATM 4729  O   HOH C 196     -11.367   0.306  28.463  1.00 44.30           O
+HETATM 4730  O   HOH C 197     -19.950 -10.635  14.301  1.00 40.17           O
+HETATM 4731  O   HOH C 198      -7.047  -6.324  20.098  1.00 36.98           O
+HETATM 4732  O   HOH C 199     -23.876   1.108  14.102  1.00 33.31           O
+HETATM 4733  O   HOH C 200     -34.199   8.033  11.037  1.00 40.72           O
+HETATM 4734  O   HOH C 201     -14.173  13.393  -8.778  1.00 43.21           O
+HETATM 4735  O   HOH D 149       0.061  -2.494 -16.397  1.00 18.64           O
+HETATM 4736  O   HOH D 150      -8.041 -19.581 -16.153  1.00 26.28           O
+HETATM 4737  O   HOH D 151       2.825  -3.769  -9.602  1.00 23.08           O
+HETATM 4738  O   HOH D 152      -2.494  -0.118 -14.151  1.00 25.33           O
+HETATM 4739  O   HOH D 153      -9.792  -8.060   0.750  1.00 30.48           O
+HETATM 4740  O   HOH D 154      -6.518 -22.534 -15.665  1.00 34.60           O
+HETATM 4741  O   HOH D 155     -17.398 -13.549   8.357  1.00 35.82           O
+HETATM 4742  O   HOH D 156       5.350  -9.378 -15.018  1.00 27.68           O
+HETATM 4743  O   HOH D 157      -6.300 -24.347 -19.100  1.00 35.93           O
+HETATM 4744  O   HOH D 158      -9.520   7.447 -21.130  1.00 40.04           O
+HETATM 4745  O   HOH D 159     -16.425  -5.250 -24.764  1.00 32.57           O
+HETATM 4746  O   HOH D 160      -7.987 -14.493   1.146  1.00 34.30           O
+HETATM 4747  O   HOH D 161      -3.890   0.572 -11.856  1.00 34.78           O
+HETATM 4748  O   HOH D 162     -29.504  -0.198  -4.474  1.00 38.63           O
+HETATM 4749  O   HOH D 163     -25.631 -15.732  -9.906  1.00 33.22           O
+HETATM 4750  O   HOH D 164      -2.623 -18.453 -21.128  1.00 35.47           O
+HETATM 4751  O   HOH D 165      -2.780 -19.130 -10.800  1.00 30.23           O
+HETATM 4752  O   HOH D 166     -25.734  -4.456   7.605  1.00 34.33           O
+HETATM 4753  O   HOH D 167     -11.771 -10.816   5.496  1.00 38.68           O
+HETATM 4754  O   HOH D 168      -9.924   0.291  -2.970  1.00 38.71           O
+HETATM 4755  O   HOH D 169     -25.514 -14.066   2.449  1.00 36.60           O
+HETATM 4756  O   HOH D 170      -5.455 -17.392  -4.316  1.00 34.43           O
+HETATM 4757  O   HOH D 171       2.688 -11.418  -8.564  1.00 35.73           O
+HETATM 4758  O   HOH D 172       7.091 -10.993 -18.224  1.00 32.39           O
+HETATM 4759  O   HOH D 173      -9.377  -6.399  -3.029  1.00 35.44           O
+HETATM 4760  O   HOH D 174     -16.565 -17.782 -17.506  1.00 41.02           O
+HETATM 4761  O   HOH D 175      -8.141  -3.463 -24.390  1.00 37.14           O
+HETATM 4762  O   HOH D 176     -16.560 -15.177 -19.016  1.00 34.89           O
+HETATM 4763  O   HOH D 177       3.477  -8.048 -19.033  1.00 35.94           O
+HETATM 4764  O   HOH D 178     -24.698 -11.573   8.724  1.00 38.01           O
+HETATM 4765  O   HOH D 179       2.193  -4.435  -6.557  1.00 38.51           O
+HETATM 4766  O   HOH D 180     -29.898 -16.926  -2.135  1.00 36.37           O
+HETATM 4767  O   HOH D 181      -7.374   8.034 -17.831  1.00 34.05           O
+HETATM 4768  O   HOH D 182     -24.015   0.401 -15.301  1.00 39.14           O
+HETATM 4769  O   HOH D 183     -12.141   9.790 -10.238  1.00 38.30           O
+HETATM 4770  O   HOH D 184      -5.765  -3.569 -23.682  1.00 36.68           O
+HETATM 4771  O   HOH D 185      -4.860  -9.811  -2.967  1.00 37.10           O
+HETATM 4772  O   HOH D 186     -23.107  -4.490 -24.359  1.00 37.97           O
+HETATM 4773  O   HOH D 187     -10.377  -9.632  -7.043  1.00 38.85           O
+HETATM 4774  O   HOH D 188      -7.871  -9.078   2.406  1.00 43.37           O
+HETATM 4775  O   HOH D 189     -27.610 -10.991   5.353  1.00 43.46           O
+HETATM 4776  O   HOH D 190     -14.034   2.806 -30.367  1.00 41.77           O
+HETATM 4777  O   HOH D 191     -32.905  -9.033   0.480  1.00 43.68           O
+HETATM 4778  O   HOH D 192     -28.749 -13.315   1.938  1.00 45.36           O
+HETATM 4779  O   HOH D 193       0.516  -8.074 -26.354  1.00 41.53           O
+HETATM 4780  O   HOH D 194     -20.080  -9.873 -22.862  1.00 36.25           O
+HETATM 4781  O   HOH D 195     -13.442   9.778 -13.572  1.00 39.70           O
+HETATM 4782  O   HOH D 196     -24.804  -2.608 -15.488  1.00 37.79           O
+HETATM 4783  O   HOH D 197      -1.263  -2.837 -21.251  1.00 45.10           O
+CONECT  650 4431
+CONECT 1771 4475
+CONECT 2844 4518
+CONECT 3965 4562
+CONECT 4389 4393 4420
+CONECT 4390 4396 4403
+CONECT 4391 4406 4410
+CONECT 4392 4413 4417
+CONECT 4393 4389 4394 4427
+CONECT 4394 4393 4395 4398
+CONECT 4395 4394 4396 4397
+CONECT 4396 4390 4395 4427
+CONECT 4397 4395
+CONECT 4398 4394 4399
+CONECT 4399 4398 4400
+CONECT 4400 4399 4401 4402
+CONECT 4401 4400
+CONECT 4402 4400
+CONECT 4403 4390 4404 4428
+CONECT 4404 4403 4405 4407
+CONECT 4405 4404 4406 4408
+CONECT 4406 4391 4405 4428
+CONECT 4407 4404
+CONECT 4408 4405 4409
+CONECT 4409 4408
+CONECT 4410 4391 4411 4429
+CONECT 4411 4410 4412 4414
+CONECT 4412 4411 4413 4415
+CONECT 4413 4392 4412 4429
+CONECT 4414 4411
+CONECT 4415 4412 4416
+CONECT 4416 4415
+CONECT 4417 4392 4418 4430
+CONECT 4418 4417 4419 4421
+CONECT 4419 4418 4420 4422
+CONECT 4420 4389 4419 4430
+CONECT 4421 4418
+CONECT 4422 4419 4423
+CONECT 4423 4422 4424
+CONECT 4424 4423 4425 4426
+CONECT 4425 4424
+CONECT 4426 4424
+CONECT 4427 4393 4396 4431
+CONECT 4428 4403 4406 4431
+CONECT 4429 4410 4413 4431
+CONECT 4430 4417 4420 4431
+CONECT 4431  650 4427 4428 4429
+CONECT 4431 4430
+CONECT 4433 4437 4464
+CONECT 4434 4440 4447
+CONECT 4435 4450 4454
+CONECT 4436 4457 4461
+CONECT 4437 4433 4438 4471
+CONECT 4438 4437 4439 4442
+CONECT 4439 4438 4440 4441
+CONECT 4440 4434 4439 4471
+CONECT 4441 4439
+CONECT 4442 4438 4443
+CONECT 4443 4442 4444
+CONECT 4444 4443 4445 4446
+CONECT 4445 4444
+CONECT 4446 4444
+CONECT 4447 4434 4448 4472
+CONECT 4448 4447 4449 4451
+CONECT 4449 4448 4450 4452
+CONECT 4450 4435 4449 4472
+CONECT 4451 4448
+CONECT 4452 4449 4453
+CONECT 4453 4452
+CONECT 4454 4435 4455 4473
+CONECT 4455 4454 4456 4458
+CONECT 4456 4455 4457 4459
+CONECT 4457 4436 4456 4473
+CONECT 4458 4455
+CONECT 4459 4456 4460
+CONECT 4460 4459
+CONECT 4461 4436 4462 4474
+CONECT 4462 4461 4463 4465
+CONECT 4463 4462 4464 4466
+CONECT 4464 4433 4463 4474
+CONECT 4465 4462
+CONECT 4466 4463 4467
+CONECT 4467 4466 4468
+CONECT 4468 4467 4469 4470
+CONECT 4469 4468
+CONECT 4470 4468
+CONECT 4471 4437 4440 4475
+CONECT 4472 4447 4450 4475
+CONECT 4473 4454 4457 4475
+CONECT 4474 4461 4464 4475
+CONECT 4475 1771 4471 4472 4473
+CONECT 4475 4474
+CONECT 4476 4480 4507
+CONECT 4477 4483 4490
+CONECT 4478 4493 4497
+CONECT 4479 4500 4504
+CONECT 4480 4476 4481 4514
+CONECT 4481 4480 4482 4485
+CONECT 4482 4481 4483 4484
+CONECT 4483 4477 4482 4514
+CONECT 4484 4482
+CONECT 4485 4481 4486
+CONECT 4486 4485 4487
+CONECT 4487 4486 4488 4489
+CONECT 4488 4487
+CONECT 4489 4487
+CONECT 4490 4477 4491 4515
+CONECT 4491 4490 4492 4494
+CONECT 4492 4491 4493 4495
+CONECT 4493 4478 4492 4515
+CONECT 4494 4491
+CONECT 4495 4492 4496
+CONECT 4496 4495
+CONECT 4497 4478 4498 4516
+CONECT 4498 4497 4499 4501
+CONECT 4499 4498 4500 4502
+CONECT 4500 4479 4499 4516
+CONECT 4501 4498
+CONECT 4502 4499 4503
+CONECT 4503 4502
+CONECT 4504 4479 4505 4517
+CONECT 4505 4504 4506 4508
+CONECT 4506 4505 4507 4509
+CONECT 4507 4476 4506 4517
+CONECT 4508 4505
+CONECT 4509 4506 4510
+CONECT 4510 4509 4511
+CONECT 4511 4510 4512 4513
+CONECT 4512 4511
+CONECT 4513 4511
+CONECT 4514 4480 4483 4518
+CONECT 4515 4490 4493 4518
+CONECT 4516 4497 4500 4518
+CONECT 4517 4504 4507 4518
+CONECT 4518 2844 4514 4515 4516
+CONECT 4518 4517
+CONECT 4520 4524 4551
+CONECT 4521 4527 4534
+CONECT 4522 4537 4541
+CONECT 4523 4544 4548
+CONECT 4524 4520 4525 4558
+CONECT 4525 4524 4526 4529
+CONECT 4526 4525 4527 4528
+CONECT 4527 4521 4526 4558
+CONECT 4528 4526
+CONECT 4529 4525 4530
+CONECT 4530 4529 4531
+CONECT 4531 4530 4532 4533
+CONECT 4532 4531
+CONECT 4533 4531
+CONECT 4534 4521 4535 4559
+CONECT 4535 4534 4536 4538
+CONECT 4536 4535 4537 4539
+CONECT 4537 4522 4536 4559
+CONECT 4538 4535
+CONECT 4539 4536 4540
+CONECT 4540 4539
+CONECT 4541 4522 4542 4560
+CONECT 4542 4541 4543 4545
+CONECT 4543 4542 4544 4546
+CONECT 4544 4523 4543 4560
+CONECT 4545 4542
+CONECT 4546 4543 4547
+CONECT 4547 4546
+CONECT 4548 4523 4549 4561
+CONECT 4549 4548 4550 4552
+CONECT 4550 4549 4551 4553
+CONECT 4551 4520 4550 4561
+CONECT 4552 4549
+CONECT 4553 4550 4554
+CONECT 4554 4553 4555
+CONECT 4555 4554 4556 4557
+CONECT 4556 4555
+CONECT 4557 4555
+CONECT 4558 4524 4527 4562
+CONECT 4559 4534 4537 4562
+CONECT 4560 4541 4544 4562
+CONECT 4561 4548 4551 4562
+CONECT 4562 3965 4558 4559 4560
+CONECT 4562 4561
+MASTER      711    0    6   32    0    0   16    9 4779    4  180   46
+END
diff --git a/tests/protein_ligand/test_graphs.py b/tests/protein_ligand/test_graphs.py
index 53bb249ae..195e03141 100644
--- a/tests/protein_ligand/test_graphs.py
+++ b/tests/protein_ligand/test_graphs.py
@@ -14,6 +14,7 @@
 
 DATA_PATH = Path(__file__).resolve().parent / "test_data" / "3v1w.pdb"
 
+
 # Example-based Graph Construction test
 def test_construct_graph():
     """Example-based test that graph construction works correctly.
@@ -22,7 +23,7 @@ def test_construct_graph():
     """
     file_path = Path(__file__).parent / "test_data" / "3v1w.pdb"
     G = construct_graph(pdb_path=str(file_path))
-    print (G)
+    print(G)
     assert isinstance(G, nx.Graph)
     assert len(G) == 574
 
@@ -34,4 +35,5 @@ def test_construct_graph():
     ]
     assert len(peptide_bond_edges) == 570
 
-test_construct_graph()
\ No newline at end of file
+
+test_construct_graph()